data_4II0 # _entry.id 4II0 # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.281 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 4II0 RCSB RCSB076776 WWPDB D_1000076776 # _pdbx_database_related.db_name PDB _pdbx_database_related.db_id 4IHZ _pdbx_database_related.details . _pdbx_database_related.content_type unspecified # _pdbx_database_status.status_code REL _pdbx_database_status.entry_id 4II0 _pdbx_database_status.recvd_initial_deposition_date 2012-12-19 _pdbx_database_status.deposit_site RCSB _pdbx_database_status.process_site RCSB _pdbx_database_status.status_code_sf REL _pdbx_database_status.status_code_mr ? _pdbx_database_status.SG_entry ? _pdbx_database_status.status_code_cs ? _pdbx_database_status.methods_development_category ? _pdbx_database_status.pdb_format_compatible Y # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Zhou, D.' 1 'Wlodawer, A.' 2 # _citation.id primary _citation.title 'Crystal Structure of Crataeva tapia Bark Protein (CrataBL) and Its Effect in Human Prostate Cancer Cell Lines.' _citation.journal_abbrev 'Plos One' _citation.journal_volume 8 _citation.page_first e64426 _citation.page_last e64426 _citation.year 2013 _citation.journal_id_ASTM ? _citation.country US _citation.journal_id_ISSN 1932-6203 _citation.journal_id_CSD ? _citation.book_publisher ? _citation.pdbx_database_id_PubMed 23823708 _citation.pdbx_database_id_DOI 10.1371/journal.pone.0064426 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Ferreira, R.D.' 1 primary 'Zhou, D.' 2 primary 'Ferreira, J.G.' 3 primary 'Silva, M.C.' 4 primary 'Silva-Lucca, R.A.' 5 primary 'Mentele, R.' 6 primary 'Paredes-Gamero, E.J.' 7 primary 'Bertolin, T.C.' 8 primary 'Dos Santos Correia, M.T.' 9 primary 'Paiva, P.M.' 10 primary 'Gustchina, A.' 11 primary 'Wlodawer, A.' 12 primary 'Oliva, M.L.' 13 # _cell.entry_id 4II0 _cell.length_a 95.585 _cell.length_b 76.279 _cell.length_c 62.335 _cell.angle_alpha 90.00 _cell.angle_beta 120.08 _cell.angle_gamma 90.00 _cell.Z_PDB 8 _cell.pdbx_unique_axis ? # _symmetry.entry_id 4II0 _symmetry.space_group_name_H-M 'C 1 2 1' _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.Int_Tables_number 5 # 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 nat CrataBL 18243.936 2 ? ? ? ? 2 non-polymer syn 'SULFATE ION' 96.063 10 ? ? ? ? 3 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 5 ? ? ? ? 4 non-polymer man ALPHA-L-FUCOSE 164.156 1 ? ? ? ? 5 non-polymer syn GLYCEROL 92.094 4 ? ? ? ? 6 water nat water 18.015 297 ? ? ? ? # _entity_poly.entity_id 1 _entity_poly.type 'polypeptide(L)' _entity_poly.nstd_linkage no _entity_poly.nstd_monomer yes _entity_poly.pdbx_seq_one_letter_code ;AILTGVPYYILPSTSRAGFSPDNLRKNTSQPSCPLDLITQLRFPPRIGVPVIFTPQNSSLKVVPLSHNLNIHT(CSX)SD LWFCPESKIWTVKSSSIHRGLVVTTGGTFRSLGSWFRIERHGDSYKLVHCPRGSTPCRDVGIETVGGGGRRYLAPRDRPL AVRFTRASG ; _entity_poly.pdbx_seq_one_letter_code_can ;AILTGVPYYILPSTSRAGFSPDNLRKNTSQPSCPLDLITQLRFPPRIGVPVIFTPQNSSLKVVPLSHNLNIHTCSDLWFC PESKIWTVKSSSIHRGLVVTTGGTFRSLGSWFRIERHGDSYKLVHCPRGSTPCRDVGIETVGGGGRRYLAPRDRPLAVRF TRASG ; _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 ALA n 1 2 ILE n 1 3 LEU n 1 4 THR n 1 5 GLY n 1 6 VAL n 1 7 PRO n 1 8 TYR n 1 9 TYR n 1 10 ILE n 1 11 LEU n 1 12 PRO n 1 13 SER n 1 14 THR n 1 15 SER n 1 16 ARG n 1 17 ALA n 1 18 GLY n 1 19 PHE n 1 20 SER n 1 21 PRO n 1 22 ASP n 1 23 ASN n 1 24 LEU n 1 25 ARG n 1 26 LYS n 1 27 ASN n 1 28 THR n 1 29 SER n 1 30 GLN n 1 31 PRO n 1 32 SER n 1 33 CYS n 1 34 PRO n 1 35 LEU n 1 36 ASP n 1 37 LEU n 1 38 ILE n 1 39 THR n 1 40 GLN n 1 41 LEU n 1 42 ARG n 1 43 PHE n 1 44 PRO n 1 45 PRO n 1 46 ARG n 1 47 ILE n 1 48 GLY n 1 49 VAL n 1 50 PRO n 1 51 VAL n 1 52 ILE n 1 53 PHE n 1 54 THR n 1 55 PRO n 1 56 GLN n 1 57 ASN n 1 58 SER n 1 59 SER n 1 60 LEU n 1 61 LYS n 1 62 VAL n 1 63 VAL n 1 64 PRO n 1 65 LEU n 1 66 SER n 1 67 HIS n 1 68 ASN n 1 69 LEU n 1 70 ASN n 1 71 ILE n 1 72 HIS n 1 73 THR n 1 74 CSX n 1 75 SER n 1 76 ASP n 1 77 LEU n 1 78 TRP n 1 79 PHE n 1 80 CYS n 1 81 PRO n 1 82 GLU n 1 83 SER n 1 84 LYS n 1 85 ILE n 1 86 TRP n 1 87 THR n 1 88 VAL n 1 89 LYS n 1 90 SER n 1 91 SER n 1 92 SER n 1 93 ILE n 1 94 HIS n 1 95 ARG n 1 96 GLY n 1 97 LEU n 1 98 VAL n 1 99 VAL n 1 100 THR n 1 101 THR n 1 102 GLY n 1 103 GLY n 1 104 THR n 1 105 PHE n 1 106 ARG n 1 107 SER n 1 108 LEU n 1 109 GLY n 1 110 SER n 1 111 TRP n 1 112 PHE n 1 113 ARG n 1 114 ILE n 1 115 GLU n 1 116 ARG n 1 117 HIS n 1 118 GLY n 1 119 ASP n 1 120 SER n 1 121 TYR n 1 122 LYS n 1 123 LEU n 1 124 VAL n 1 125 HIS n 1 126 CYS n 1 127 PRO n 1 128 ARG n 1 129 GLY n 1 130 SER n 1 131 THR n 1 132 PRO n 1 133 CYS n 1 134 ARG n 1 135 ASP n 1 136 VAL n 1 137 GLY n 1 138 ILE n 1 139 GLU n 1 140 THR n 1 141 VAL n 1 142 GLY n 1 143 GLY n 1 144 GLY n 1 145 GLY n 1 146 ARG n 1 147 ARG n 1 148 TYR n 1 149 LEU n 1 150 ALA n 1 151 PRO n 1 152 ARG n 1 153 ASP n 1 154 ARG n 1 155 PRO n 1 156 LEU n 1 157 ALA n 1 158 VAL n 1 159 ARG n 1 160 PHE n 1 161 THR n 1 162 ARG n 1 163 ALA n 1 164 SER n 1 165 GLY n # _entity_src_nat.entity_id 1 _entity_src_nat.pdbx_src_id 1 _entity_src_nat.pdbx_alt_source_flag sample _entity_src_nat.pdbx_beg_seq_num ? _entity_src_nat.pdbx_end_seq_num ? _entity_src_nat.common_name ? _entity_src_nat.pdbx_organism_scientific 'Crataeva tapia' _entity_src_nat.pdbx_ncbi_taxonomy_id 202635 _entity_src_nat.genus ? _entity_src_nat.species ? _entity_src_nat.strain ? _entity_src_nat.tissue ? _entity_src_nat.tissue_fraction ? _entity_src_nat.pdbx_secretion ? _entity_src_nat.pdbx_fragment ? _entity_src_nat.pdbx_variant ? _entity_src_nat.pdbx_cell_line ? _entity_src_nat.pdbx_atcc ? _entity_src_nat.pdbx_cellular_location ? _entity_src_nat.pdbx_organ ? _entity_src_nat.pdbx_organelle ? _entity_src_nat.pdbx_cell ? _entity_src_nat.pdbx_plasmid_name ? _entity_src_nat.pdbx_plasmid_details ? _entity_src_nat.details ? # _struct_ref.id 1 _struct_ref.db_name PDB _struct_ref.db_code 4II0 _struct_ref.pdbx_db_accession 4II0 _struct_ref.entity_id 1 _struct_ref.pdbx_align_begin ? _struct_ref.pdbx_seq_one_letter_code ;AILTGVPYYILPSTSRAGFSPDNLRKNTSQPSCPLDLITQLRFPPRIGVPVIFTPQNSSLKVVPLSHNLNIHTCSDLWFC PESKIWTVKSSSIHRGLVVTTGGTFRSLGSWFRIERHGDSYKLVHCPRGSTPCRDVGIETVGGGGRRYLAPRDRPLAVRF TRASG ; _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 4II0 A 1 ? 165 ? 4II0 1 ? 165 ? 1 165 2 1 4II0 B 1 ? 165 ? 4II0 1 ? 165 ? 1 165 # 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 CSX 'L-peptide linking' n 'S-OXY CYSTEINE' ? 'C3 H7 N O3 S' 137.158 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 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 GOL non-polymer . GLYCEROL 'GLYCERIN; PROPANE-1,2,3-TRIOL' 'C3 H8 O3' 92.094 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 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 SO4 non-polymer . 'SULFATE ION' ? 'O4 S -2' 96.063 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 4II0 _exptl.method 'X-RAY DIFFRACTION' _exptl.crystals_number 1 # _exptl_crystal.id 1 _exptl_crystal.density_meas ? _exptl_crystal.density_Matthews 2.69 _exptl_crystal.density_percent_sol 54.35 _exptl_crystal.description ? # _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.method ? _exptl_crystal_grow.temp 293 _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.pH 8.0 _exptl_crystal_grow.pdbx_pH_range ? _exptl_crystal_grow.pdbx_details '0.2 M Li2SO4, 30% PEG3350, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K' # _diffrn.id 1 _diffrn.ambient_temp 100 _diffrn.ambient_temp_details ? _diffrn.crystal_id 1 # _diffrn_detector.diffrn_id 1 _diffrn_detector.detector CCD _diffrn_detector.type 'MARMOSAIC 225 mm CCD' _diffrn_detector.pdbx_collection_date 2011-12-02 _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 1.0 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.diffrn_id 1 _diffrn_source.source SYNCHROTRON _diffrn_source.type 'APS BEAMLINE 22-BM' _diffrn_source.pdbx_synchrotron_site APS _diffrn_source.pdbx_synchrotron_beamline 22-BM _diffrn_source.pdbx_wavelength 1.0 _diffrn_source.pdbx_wavelength_list ? # _reflns.pdbx_diffrn_id 1 _reflns.pdbx_ordinal 1 _reflns.entry_id 4II0 _reflns.observed_criterion_sigma_I 3.870 _reflns.observed_criterion_sigma_F ? _reflns.d_resolution_low 20.000 _reflns.d_resolution_high 1.750 _reflns.number_obs 38040 _reflns.number_all ? _reflns.percent_possible_obs 97.0 _reflns.pdbx_Rmerge_I_obs 0.05600 _reflns.pdbx_Rsym_value ? _reflns.pdbx_netI_over_sigmaI ? _reflns.B_iso_Wilson_estimate ? _reflns.pdbx_redundancy ? # _reflns_shell.pdbx_diffrn_id 1 _reflns_shell.pdbx_ordinal 1 _reflns_shell.d_res_high 1.75 _reflns_shell.d_res_low 1.85 _reflns_shell.percent_possible_all 96.1 _reflns_shell.Rmerge_I_obs 0.35800 _reflns_shell.pdbx_Rsym_value ? _reflns_shell.meanI_over_sigI_obs ? _reflns_shell.pdbx_redundancy ? # _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.entry_id 4II0 _refine.pdbx_diffrn_id 1 _refine.pdbx_TLS_residual_ADP_flag ? _refine.ls_number_reflns_obs 37089 _refine.ls_number_reflns_all 39201 _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F . _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.ls_d_res_low 19.98 _refine.ls_d_res_high 1.75 _refine.ls_percent_reflns_obs 100.00 _refine.ls_R_factor_obs 0.18624 _refine.ls_R_factor_all ? _refine.ls_R_factor_R_work 0.18510 _refine.ls_R_factor_R_free 0.23171 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free 2.5 _refine.ls_number_reflns_R_free 951 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min ? _refine.occupancy_max ? _refine.correlation_coeff_Fo_to_Fc 0.962 _refine.correlation_coeff_Fo_to_Fc_free 0.941 _refine.B_iso_mean 29.694 _refine.aniso_B[1][1] -0.91 _refine.aniso_B[2][2] 2.32 _refine.aniso_B[3][3] -1.75 _refine.aniso_B[1][2] 0.00 _refine.aniso_B[1][3] -0.35 _refine.aniso_B[2][3] 0.00 _refine.solvent_model_details MASK _refine.solvent_model_param_ksol ? _refine.solvent_model_param_bsol ? _refine.pdbx_solvent_vdw_probe_radii 1.40 _refine.pdbx_solvent_ion_probe_radii 0.80 _refine.pdbx_solvent_shrinkage_radii 0.80 _refine.pdbx_ls_cross_valid_method THROUGHOUT _refine.details 'HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS' _refine.pdbx_starting_model ? _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_stereochemistry_target_values 'MAXIMUM LIKELIHOOD' _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_R_Free_selection_details RANDOM _refine.pdbx_overall_ESU_R 0.114 _refine.pdbx_overall_ESU_R_Free 0.117 _refine.overall_SU_ML 0.090 _refine.pdbx_overall_phase_error ? _refine.overall_SU_B 6.556 _refine.overall_SU_R_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 2560 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 154 _refine_hist.number_atoms_solvent 297 _refine_hist.number_atoms_total 3011 _refine_hist.d_res_high 1.75 _refine_hist.d_res_low 19.98 # 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 r_bond_refined_d 0.016 0.022 ? 2798 'X-RAY DIFFRACTION' ? r_bond_other_d ? ? ? ? 'X-RAY DIFFRACTION' ? r_angle_refined_deg 1.716 2.020 ? 3816 'X-RAY DIFFRACTION' ? r_angle_other_deg ? ? ? ? 'X-RAY DIFFRACTION' ? r_dihedral_angle_1_deg 6.798 5.000 ? 326 'X-RAY DIFFRACTION' ? r_dihedral_angle_2_deg 26.474 20.286 ? 105 'X-RAY DIFFRACTION' ? r_dihedral_angle_3_deg 15.372 15.000 ? 424 'X-RAY DIFFRACTION' ? r_dihedral_angle_4_deg 18.700 15.000 ? 32 'X-RAY DIFFRACTION' ? r_chiral_restr 0.124 0.200 ? 430 'X-RAY DIFFRACTION' ? r_gen_planes_refined 0.009 0.022 ? 2051 'X-RAY DIFFRACTION' ? r_gen_planes_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_nbd_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_nbd_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_nbtor_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_nbtor_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_xyhbond_nbd_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_xyhbond_nbd_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_metal_ion_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_metal_ion_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_vdw_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_vdw_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_hbond_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_hbond_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_metal_ion_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_metal_ion_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_mcbond_it 0.967 1.500 ? 1640 'X-RAY DIFFRACTION' ? r_mcbond_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_mcangle_it 1.680 2.000 ? 2697 'X-RAY DIFFRACTION' ? r_scbond_it 2.609 3.000 ? 1158 'X-RAY DIFFRACTION' ? r_scangle_it 4.081 4.500 ? 1119 'X-RAY DIFFRACTION' ? r_rigid_bond_restr ? ? ? ? 'X-RAY DIFFRACTION' ? r_sphericity_free ? ? ? ? 'X-RAY DIFFRACTION' ? r_sphericity_bonded ? ? ? ? 'X-RAY DIFFRACTION' ? # _refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_ls_shell.pdbx_total_number_of_bins_used 20 _refine_ls_shell.d_res_high 1.750 _refine_ls_shell.d_res_low 1.795 _refine_ls_shell.number_reflns_R_work 2675 _refine_ls_shell.R_factor_R_work 0.318 _refine_ls_shell.percent_reflns_obs 100.00 _refine_ls_shell.R_factor_R_free 0.323 _refine_ls_shell.R_factor_R_free_error ? _refine_ls_shell.percent_reflns_R_free ? _refine_ls_shell.number_reflns_R_free 68 _refine_ls_shell.number_reflns_all ? _refine_ls_shell.R_factor_all ? # _pdbx_refine.pdbx_refine_id 'X-RAY DIFFRACTION' _pdbx_refine.entry_id 4II0 _pdbx_refine.R_factor_all_no_cutoff ? _pdbx_refine.R_factor_obs_no_cutoff ? _pdbx_refine.free_R_factor_no_cutoff ? _pdbx_refine.free_R_error_no_cutoff ? _pdbx_refine.free_R_val_test_set_size_perc_no_cutoff ? _pdbx_refine.free_R_val_test_set_ct_no_cutoff ? _pdbx_refine.R_factor_all_4sig_cutoff ? _pdbx_refine.R_factor_obs_4sig_cutoff ? _pdbx_refine.free_R_factor_4sig_cutoff ? _pdbx_refine.free_R_val_test_set_size_perc_4sig_cutoff ? _pdbx_refine.free_R_val_test_set_ct_4sig_cutoff ? _pdbx_refine.number_reflns_obs_4sig_cutoff ? # _struct.entry_id 4II0 _struct.title 'Crystal structure of CrataBL, a trypsin inhibitor from Crataeva tapia' _struct.pdbx_descriptor CrataBL _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 4II0 _struct_keywords.pdbx_keywords 'HYDROLASE INHIBITOR' _struct_keywords.text 'beta-trefoil, Serine protease inhibitor, HYDROLASE INHIBITOR' # loop_ _struct_asym.id _struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_modified _struct_asym.entity_id _struct_asym.details A N N 1 ? B N N 1 ? C N N 2 ? D N N 2 ? E N N 2 ? F N N 2 ? G N N 2 ? H N N 3 ? I N N 3 ? J N N 4 ? K N N 5 ? L N N 5 ? M N N 3 ? N N N 2 ? O N N 2 ? P N N 2 ? Q N N 2 ? R N N 2 ? S N N 5 ? T N N 5 ? U N N 3 ? V N N 3 ? W N N 6 ? X N N 6 ? # _struct_biol.id 1 _struct_biol.details ? # loop_ _struct_conf.conf_type_id _struct_conf.id _struct_conf.pdbx_PDB_helix_id _struct_conf.beg_label_comp_id _struct_conf.beg_label_asym_id _struct_conf.beg_label_seq_id _struct_conf.pdbx_beg_PDB_ins_code _struct_conf.end_label_comp_id _struct_conf.end_label_asym_id _struct_conf.end_label_seq_id _struct_conf.pdbx_end_PDB_ins_code _struct_conf.beg_auth_comp_id _struct_conf.beg_auth_asym_id _struct_conf.beg_auth_seq_id _struct_conf.end_auth_comp_id _struct_conf.end_auth_asym_id _struct_conf.end_auth_seq_id _struct_conf.pdbx_PDB_helix_class _struct_conf.details _struct_conf.pdbx_PDB_helix_length HELX_P HELX_P1 1 ASP A 22 ? ASN A 27 ? ASP A 22 ASN A 27 1 ? 6 HELX_P HELX_P2 2 SER A 92 ? ARG A 95 ? SER A 92 ARG A 95 5 ? 4 HELX_P HELX_P3 3 PRO A 127 ? SER A 130 ? PRO A 127 SER A 130 5 ? 4 HELX_P HELX_P4 4 ASP B 22 ? ASN B 27 ? ASP B 22 ASN B 27 1 ? 6 HELX_P HELX_P5 5 PRO B 127 ? SER B 130 ? PRO B 127 SER B 130 5 ? 4 # _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 33 SG ? ? ? 1_555 A CYS 80 SG ? ? A CYS 33 A CYS 80 1_555 ? ? ? ? ? ? ? 2.089 ? disulf2 disulf ? ? A CYS 126 SG ? ? ? 1_555 A CYS 133 SG ? ? A CYS 126 A CYS 133 1_555 ? ? ? ? ? ? ? 2.095 ? disulf3 disulf ? ? B CYS 33 SG ? ? ? 1_555 B CYS 80 SG ? ? B CYS 33 B CYS 80 1_555 ? ? ? ? ? ? ? 2.073 ? disulf4 disulf ? ? B CYS 126 SG ? ? ? 1_555 B CYS 133 SG ? ? B CYS 126 B CYS 133 1_555 ? ? ? ? ? ? ? 2.095 ? covale1 covale ? ? A THR 73 C ? ? ? 1_555 A CSX 74 N ? ? A THR 73 A CSX 74 1_555 ? ? ? ? ? ? ? 1.334 ? covale2 covale ? ? A CSX 74 C ? ? ? 1_555 A SER 75 N ? ? A CSX 74 A SER 75 1_555 ? ? ? ? ? ? ? 1.329 ? covale3 covale ? ? B THR 73 C ? ? ? 1_555 B CSX 74 N ? ? B THR 73 B CSX 74 1_555 ? ? ? ? ? ? ? 1.346 ? covale4 covale ? ? B CSX 74 C ? ? ? 1_555 B SER 75 N ? ? B CSX 74 B SER 75 1_555 ? ? ? ? ? ? ? 1.332 ? covale5 covale ? ? A ASN 27 ND2 ? ? ? 1_555 H NAG . C1 ? ? A ASN 27 A NAG 206 1_555 ? ? ? ? ? ? ? 1.428 ? covale6 covale ? ? H NAG . O3 ? ? ? 1_555 J FUC . C1 ? ? A NAG 206 A FUC 208 1_555 ? ? ? ? ? ? ? 1.450 ? covale7 covale ? ? B ASN 57 ND2 ? ? ? 1_555 V NAG . C1 ? ? B ASN 57 B NAG 209 1_555 ? ? ? ? ? ? ? 1.453 ? covale8 covale ? ? A ASN 57 ND2 ? ? ? 1_555 M NAG . C1 ? ? A ASN 57 A NAG 211 1_555 ? ? ? ? ? ? ? 1.449 ? covale9 covale ? ? H NAG . O4 ? ? ? 1_555 I NAG . C1 ? ? A NAG 206 A NAG 207 1_555 ? ? ? ? ? ? ? 1.443 ? covale10 covale ? ? B ASN 27 ND2 ? ? ? 1_555 U NAG . C1 ? ? B ASN 27 B NAG 208 1_555 ? ? ? ? ? ? ? 1.470 ? # 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 PHE 43 A . ? PHE 43 A PRO 44 A ? PRO 44 A 1 1.81 2 THR 131 A . ? THR 131 A PRO 132 A ? PRO 132 A 1 3.28 3 ALA 163 A . ? ALA 163 A SER 164 A ? SER 164 A 1 -0.50 4 PHE 43 B . ? PHE 43 B PRO 44 B ? PRO 44 B 1 -4.55 5 THR 131 B . ? THR 131 B PRO 132 B ? PRO 132 B 1 5.32 6 ALA 163 B . ? ALA 163 B SER 164 B ? SER 164 B 1 8.28 # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details A ? 4 ? B ? 2 ? C ? 2 ? D ? 4 ? E ? 4 ? F ? 2 ? G ? 2 ? H ? 4 ? # loop_ _struct_sheet_order.sheet_id _struct_sheet_order.range_id_1 _struct_sheet_order.range_id_2 _struct_sheet_order.offset _struct_sheet_order.sense A 1 2 ? anti-parallel A 2 3 ? anti-parallel A 3 4 ? anti-parallel B 1 2 ? anti-parallel C 1 2 ? anti-parallel D 1 2 ? anti-parallel D 2 3 ? anti-parallel D 3 4 ? anti-parallel E 1 2 ? anti-parallel E 2 3 ? anti-parallel E 3 4 ? anti-parallel F 1 2 ? anti-parallel G 1 2 ? anti-parallel H 1 2 ? anti-parallel H 2 3 ? anti-parallel H 3 4 ? anti-parallel # loop_ _struct_sheet_range.sheet_id _struct_sheet_range.id _struct_sheet_range.beg_label_comp_id _struct_sheet_range.beg_label_asym_id _struct_sheet_range.beg_label_seq_id _struct_sheet_range.pdbx_beg_PDB_ins_code _struct_sheet_range.end_label_comp_id _struct_sheet_range.end_label_asym_id _struct_sheet_range.end_label_seq_id _struct_sheet_range.pdbx_end_PDB_ins_code _struct_sheet_range.beg_auth_comp_id _struct_sheet_range.beg_auth_asym_id _struct_sheet_range.beg_auth_seq_id _struct_sheet_range.end_auth_comp_id _struct_sheet_range.end_auth_asym_id _struct_sheet_range.end_auth_seq_id A 1 LEU A 69 ? THR A 73 ? LEU A 69 THR A 73 A 2 VAL A 51 ? PRO A 55 ? VAL A 51 PRO A 55 A 3 PRO A 7 ? PRO A 12 ? PRO A 7 PRO A 12 A 4 VAL A 158 ? ARG A 162 ? VAL A 158 ARG A 162 B 1 PHE A 19 ? PRO A 21 ? PHE A 19 PRO A 21 B 2 ILE A 38 ? GLN A 40 ? ILE A 38 GLN A 40 C 1 THR A 87 ? SER A 91 ? THR A 87 SER A 91 C 2 GLY A 96 ? THR A 100 ? GLY A 96 THR A 100 D 1 PHE A 112 ? HIS A 117 ? PHE A 112 HIS A 117 D 2 SER A 120 ? HIS A 125 ? SER A 120 HIS A 125 D 3 ARG A 134 ? GLU A 139 ? ARG A 134 GLU A 139 D 4 TYR A 148 ? PRO A 151 ? TYR A 148 PRO A 151 E 1 LEU B 69 ? THR B 73 ? LEU B 69 THR B 73 E 2 VAL B 51 ? PRO B 55 ? VAL B 51 PRO B 55 E 3 PRO B 7 ? PRO B 12 ? PRO B 7 PRO B 12 E 4 VAL B 158 ? ARG B 162 ? VAL B 158 ARG B 162 F 1 PHE B 19 ? PRO B 21 ? PHE B 19 PRO B 21 F 2 ILE B 38 ? GLN B 40 ? ILE B 38 GLN B 40 G 1 THR B 87 ? SER B 91 ? THR B 87 SER B 91 G 2 GLY B 96 ? THR B 100 ? GLY B 96 THR B 100 H 1 PHE B 112 ? HIS B 117 ? PHE B 112 HIS B 117 H 2 SER B 120 ? HIS B 125 ? SER B 120 HIS B 125 H 3 ARG B 134 ? GLU B 139 ? ARG B 134 GLU B 139 H 4 TYR B 148 ? ARG B 152 ? TYR B 148 ARG B 152 # loop_ _pdbx_struct_sheet_hbond.sheet_id _pdbx_struct_sheet_hbond.range_id_1 _pdbx_struct_sheet_hbond.range_id_2 _pdbx_struct_sheet_hbond.range_1_label_atom_id _pdbx_struct_sheet_hbond.range_1_label_comp_id _pdbx_struct_sheet_hbond.range_1_label_asym_id _pdbx_struct_sheet_hbond.range_1_label_seq_id _pdbx_struct_sheet_hbond.range_1_PDB_ins_code _pdbx_struct_sheet_hbond.range_1_auth_atom_id _pdbx_struct_sheet_hbond.range_1_auth_comp_id _pdbx_struct_sheet_hbond.range_1_auth_asym_id _pdbx_struct_sheet_hbond.range_1_auth_seq_id _pdbx_struct_sheet_hbond.range_2_label_atom_id _pdbx_struct_sheet_hbond.range_2_label_comp_id _pdbx_struct_sheet_hbond.range_2_label_asym_id _pdbx_struct_sheet_hbond.range_2_label_seq_id _pdbx_struct_sheet_hbond.range_2_PDB_ins_code _pdbx_struct_sheet_hbond.range_2_auth_atom_id _pdbx_struct_sheet_hbond.range_2_auth_comp_id _pdbx_struct_sheet_hbond.range_2_auth_asym_id _pdbx_struct_sheet_hbond.range_2_auth_seq_id A 1 2 O ASN A 70 ? O ASN A 70 N THR A 54 ? N THR A 54 A 2 3 O VAL A 51 ? O VAL A 51 N TYR A 8 ? N TYR A 8 A 3 4 N LEU A 11 ? N LEU A 11 O ARG A 159 ? O ARG A 159 B 1 2 N SER A 20 ? N SER A 20 O THR A 39 ? O THR A 39 C 1 2 N THR A 87 ? N THR A 87 O THR A 100 ? O THR A 100 D 1 2 N GLU A 115 ? N GLU A 115 O LYS A 122 ? O LYS A 122 D 2 3 N HIS A 125 ? N HIS A 125 O ARG A 134 ? O ARG A 134 D 3 4 N GLU A 139 ? N GLU A 139 O TYR A 148 ? O TYR A 148 E 1 2 O ASN B 70 ? O ASN B 70 N THR B 54 ? N THR B 54 E 2 3 O VAL B 51 ? O VAL B 51 N TYR B 8 ? N TYR B 8 E 3 4 N TYR B 9 ? N TYR B 9 O THR B 161 ? O THR B 161 F 1 2 N SER B 20 ? N SER B 20 O THR B 39 ? O THR B 39 G 1 2 N THR B 87 ? N THR B 87 O THR B 100 ? O THR B 100 H 1 2 N HIS B 117 ? N HIS B 117 O SER B 120 ? O SER B 120 H 2 3 N HIS B 125 ? N HIS B 125 O ARG B 134 ? O ARG B 134 H 3 4 N ASP B 135 ? N ASP B 135 O ARG B 152 ? O ARG B 152 # loop_ _struct_site.id _struct_site.pdbx_evidence_code _struct_site.pdbx_auth_asym_id _struct_site.pdbx_auth_comp_id _struct_site.pdbx_auth_seq_id _struct_site.pdbx_auth_ins_code _struct_site.pdbx_num_residues _struct_site.details AC1 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE SO4 A 201' AC2 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE SO4 A 202' AC3 Software ? ? ? ? 8 'BINDING SITE FOR RESIDUE SO4 A 203' AC4 Software ? ? ? ? 9 'BINDING SITE FOR RESIDUE SO4 A 204' AC5 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE SO4 A 205' AC6 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE NAG A 206' AC7 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE NAG A 207' AC8 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE FUC A 208' AC9 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE GOL A 209' BC1 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE GOL A 210' BC2 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE NAG A 211' BC3 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE SO4 B 201' BC4 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE SO4 B 202' BC5 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE SO4 B 203' BC6 Software ? ? ? ? 7 'BINDING SITE FOR RESIDUE SO4 B 204' BC7 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE SO4 B 205' BC8 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE GOL B 206' BC9 Software ? ? ? ? 7 'BINDING SITE FOR RESIDUE GOL B 207' CC1 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE NAG B 208' CC2 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE NAG B 209' # loop_ _struct_site_gen.id _struct_site_gen.site_id _struct_site_gen.pdbx_num_res _struct_site_gen.label_comp_id _struct_site_gen.label_asym_id _struct_site_gen.label_seq_id _struct_site_gen.pdbx_auth_ins_code _struct_site_gen.auth_comp_id _struct_site_gen.auth_asym_id _struct_site_gen.auth_seq_id _struct_site_gen.label_atom_id _struct_site_gen.label_alt_id _struct_site_gen.symmetry _struct_site_gen.details 1 AC1 4 THR A 14 ? THR A 14 . ? 1_555 ? 2 AC1 4 SER A 15 ? SER A 15 . ? 1_555 ? 3 AC1 4 ARG A 16 ? ARG A 16 . ? 1_555 ? 4 AC1 4 ARG B 116 ? ARG B 116 . ? 1_556 ? 5 AC2 4 ARG A 113 ? ARG A 113 . ? 1_555 ? 6 AC2 4 GLY A 129 ? GLY A 129 . ? 1_555 ? 7 AC2 4 SER A 130 ? SER A 130 . ? 1_555 ? 8 AC2 4 THR A 131 ? THR A 131 . ? 1_555 ? 9 AC3 8 THR A 140 ? THR A 140 . ? 1_555 ? 10 AC3 8 THR A 140 ? THR A 140 . ? 2_555 ? 11 AC3 8 VAL A 141 ? VAL A 141 . ? 1_555 ? 12 AC3 8 VAL A 141 ? VAL A 141 . ? 2_555 ? 13 AC3 8 GLY A 142 ? GLY A 142 . ? 2_555 ? 14 AC3 8 GLY A 142 ? GLY A 142 . ? 1_555 ? 15 AC3 8 GLY A 143 ? GLY A 143 . ? 2_555 ? 16 AC3 8 GLY A 144 ? GLY A 144 . ? 2_555 ? 17 AC4 9 GLN A 40 ? GLN A 40 . ? 1_555 ? 18 AC4 9 LEU A 41 ? LEU A 41 . ? 1_555 ? 19 AC4 9 ARG A 42 ? ARG A 42 . ? 1_555 ? 20 AC4 9 PHE A 43 ? PHE A 43 . ? 1_555 ? 21 AC4 9 ARG A 46 ? ARG A 46 . ? 1_555 ? 22 AC4 9 ARG A 146 ? ARG A 146 . ? 1_555 ? 23 AC4 9 HOH W . ? HOH A 332 . ? 1_555 ? 24 AC4 9 HOH W . ? HOH A 415 . ? 1_555 ? 25 AC4 9 HOH W . ? HOH A 434 . ? 1_555 ? 26 AC5 6 HIS A 117 ? HIS A 117 . ? 1_555 ? 27 AC5 6 LYS A 122 ? LYS A 122 . ? 1_555 ? 28 AC5 6 ASP A 135 ? ASP A 135 . ? 1_555 ? 29 AC5 6 PRO A 155 ? PRO A 155 . ? 1_555 ? 30 AC5 6 HOH W . ? HOH A 436 . ? 1_555 ? 31 AC5 6 HOH W . ? HOH A 443 . ? 1_555 ? 32 AC6 6 ASN A 27 ? ASN A 27 . ? 1_555 ? 33 AC6 6 PHE A 79 ? PHE A 79 . ? 1_555 ? 34 AC6 6 NAG I . ? NAG A 207 . ? 1_555 ? 35 AC6 6 FUC J . ? FUC A 208 . ? 1_555 ? 36 AC6 6 HOH W . ? HOH A 410 . ? 1_555 ? 37 AC6 6 ASP B 76 ? ASP B 76 . ? 1_555 ? 38 AC7 6 NAG H . ? NAG A 206 . ? 1_555 ? 39 AC7 6 FUC J . ? FUC A 208 . ? 1_555 ? 40 AC7 6 HOH W . ? HOH A 432 . ? 1_555 ? 41 AC7 6 HOH W . ? HOH A 456 . ? 1_555 ? 42 AC7 6 ARG B 128 ? ARG B 128 . ? 4_454 ? 43 AC7 6 HOH X . ? HOH B 393 . ? 4_454 ? 44 AC8 3 NAG H . ? NAG A 206 . ? 1_555 ? 45 AC8 3 NAG I . ? NAG A 207 . ? 1_555 ? 46 AC8 3 HOH W . ? HOH A 440 . ? 1_555 ? 47 AC9 6 THR A 87 ? THR A 87 . ? 1_555 ? 48 AC9 6 THR A 104 ? THR A 104 . ? 1_555 ? 49 AC9 6 SER A 107 ? SER A 107 . ? 1_555 ? 50 AC9 6 GLY A 109 ? GLY A 109 . ? 1_555 ? 51 AC9 6 SER A 110 ? SER A 110 . ? 1_555 ? 52 AC9 6 HOH W . ? HOH A 373 . ? 1_555 ? 53 BC1 4 ARG A 95 ? ARG A 95 . ? 2_555 ? 54 BC1 4 GLU A 139 ? GLU A 139 . ? 1_555 ? 55 BC1 4 ARG A 152 ? ARG A 152 . ? 1_555 ? 56 BC1 4 ASP A 153 ? ASP A 153 . ? 1_555 ? 57 BC2 2 ASN A 57 ? ASN A 57 . ? 1_555 ? 58 BC2 2 LEU A 60 ? LEU A 60 . ? 1_555 ? 59 BC3 4 LYS A 61 ? LYS A 61 . ? 2_454 ? 60 BC3 4 SER B 91 ? SER B 91 . ? 1_555 ? 61 BC3 4 SER B 92 ? SER B 92 . ? 1_555 ? 62 BC3 4 ILE B 93 ? ILE B 93 . ? 1_555 ? 63 BC4 6 THR B 87 ? THR B 87 . ? 1_555 ? 64 BC4 6 GLY B 103 ? GLY B 103 . ? 1_555 ? 65 BC4 6 THR B 104 ? THR B 104 . ? 1_555 ? 66 BC4 6 SER B 107 ? SER B 107 . ? 1_555 ? 67 BC4 6 HOH X . ? HOH B 348 . ? 1_555 ? 68 BC4 6 HOH X . ? HOH B 432 . ? 1_555 ? 69 BC5 3 ARG B 113 ? ARG B 113 . ? 1_555 ? 70 BC5 3 SER B 130 ? SER B 130 . ? 1_555 ? 71 BC5 3 THR B 131 ? THR B 131 . ? 1_555 ? 72 BC6 7 ARG B 42 ? ARG B 42 . ? 2_453 ? 73 BC6 7 HIS B 117 ? HIS B 117 . ? 1_555 ? 74 BC6 7 ARG B 147 ? ARG B 147 . ? 2_453 ? 75 BC6 7 ALA B 157 ? ALA B 157 . ? 1_555 ? 76 BC6 7 HOH X . ? HOH B 355 . ? 1_555 ? 77 BC6 7 HOH X . ? HOH B 375 . ? 1_555 ? 78 BC6 7 HOH X . ? HOH B 420 . ? 2_453 ? 79 BC7 5 HIS B 117 ? HIS B 117 . ? 1_555 ? 80 BC7 5 LYS B 122 ? LYS B 122 . ? 1_555 ? 81 BC7 5 ASP B 135 ? ASP B 135 . ? 1_555 ? 82 BC7 5 PRO B 155 ? PRO B 155 . ? 1_555 ? 83 BC7 5 HOH X . ? HOH B 431 . ? 1_555 ? 84 BC8 6 ARG B 25 ? ARG B 25 . ? 1_555 ? 85 BC8 6 LEU B 41 ? LEU B 41 . ? 1_555 ? 86 BC8 6 ARG B 42 ? ARG B 42 . ? 1_555 ? 87 BC8 6 PHE B 43 ? PHE B 43 . ? 1_555 ? 88 BC8 6 ARG B 46 ? ARG B 46 . ? 1_555 ? 89 BC8 6 ARG B 146 ? ARG B 146 . ? 1_555 ? 90 BC9 7 THR B 14 ? THR B 14 . ? 2_453 ? 91 BC9 7 SER B 15 ? SER B 15 . ? 1_555 ? 92 BC9 7 GLN B 40 ? GLN B 40 . ? 1_555 ? 93 BC9 7 ARG B 42 ? ARG B 42 . ? 1_555 ? 94 BC9 7 ARG B 147 ? ARG B 147 . ? 1_555 ? 95 BC9 7 HOH X . ? HOH B 406 . ? 1_555 ? 96 BC9 7 HOH X . ? HOH B 427 . ? 1_555 ? 97 CC1 5 ASP A 76 ? ASP A 76 . ? 1_555 ? 98 CC1 5 ASN B 27 ? ASN B 27 . ? 1_555 ? 99 CC1 5 PHE B 79 ? PHE B 79 . ? 1_555 ? 100 CC1 5 HOH X . ? HOH B 338 . ? 1_555 ? 101 CC1 5 HOH X . ? HOH B 413 . ? 1_555 ? 102 CC2 4 ASN B 57 ? ASN B 57 . ? 1_555 ? 103 CC2 4 SER B 59 ? SER B 59 . ? 1_555 ? 104 CC2 4 LEU B 60 ? LEU B 60 . ? 1_555 ? 105 CC2 4 HOH X . ? HOH B 423 . ? 1_555 ? # _database_PDB_matrix.entry_id 4II0 _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 4II0 _atom_sites.fract_transf_matrix[1][1] 0.010462 _atom_sites.fract_transf_matrix[1][2] 0.000000 _atom_sites.fract_transf_matrix[1][3] 0.006060 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 0.013110 _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] 0.018539 _atom_sites.fract_transf_vector[1] 0.00000 _atom_sites.fract_transf_vector[2] 0.00000 _atom_sites.fract_transf_vector[3] 0.00000 # loop_ _atom_type.symbol C N O S # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.pdbx_formal_charge _atom_site.auth_seq_id _atom_site.auth_comp_id _atom_site.auth_asym_id _atom_site.auth_atom_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . ALA A 1 1 ? -34.510 21.845 -4.752 1.00 36.39 ? 1 ALA A N 1 ATOM 2 C CA . ALA A 1 1 ? -33.737 21.069 -5.771 1.00 35.70 ? 1 ALA A CA 1 ATOM 3 C C . ALA A 1 1 ? -33.023 22.000 -6.745 1.00 34.15 ? 1 ALA A C 1 ATOM 4 O O . ALA A 1 1 ? -33.530 23.094 -7.069 1.00 34.94 ? 1 ALA A O 1 ATOM 5 C CB . ALA A 1 1 ? -34.656 20.091 -6.518 1.00 36.95 ? 1 ALA A CB 1 ATOM 6 N N . ILE A 1 2 ? -31.825 21.593 -7.170 1.00 31.85 ? 2 ILE A N 1 ATOM 7 C CA . ILE A 1 2 ? -31.117 22.307 -8.207 1.00 29.17 ? 2 ILE A CA 1 ATOM 8 C C . ILE A 1 2 ? -31.431 21.682 -9.556 1.00 28.38 ? 2 ILE A C 1 ATOM 9 O O . ILE A 1 2 ? -31.288 20.461 -9.757 1.00 27.07 ? 2 ILE A O 1 ATOM 10 C CB . ILE A 1 2 ? -29.591 22.316 -7.996 1.00 29.16 ? 2 ILE A CB 1 ATOM 11 C CG1 . ILE A 1 2 ? -29.238 22.877 -6.626 1.00 30.15 ? 2 ILE A CG1 1 ATOM 12 C CG2 . ILE A 1 2 ? -28.931 23.143 -9.083 1.00 28.71 ? 2 ILE A CG2 1 ATOM 13 C CD1 . ILE A 1 2 ? -27.798 22.533 -6.198 1.00 31.71 ? 2 ILE A CD1 1 ATOM 14 N N . LEU A 1 3 ? -31.859 22.524 -10.477 1.00 27.39 ? 3 LEU A N 1 ATOM 15 C CA . LEU A 1 3 ? -32.219 22.048 -11.803 1.00 27.70 ? 3 LEU A CA 1 ATOM 16 C C . LEU A 1 3 ? -31.031 22.160 -12.765 1.00 26.99 ? 3 LEU A C 1 ATOM 17 O O . LEU A 1 3 ? -30.360 23.193 -12.820 1.00 25.76 ? 3 LEU A O 1 ATOM 18 C CB . LEU A 1 3 ? -33.414 22.815 -12.350 1.00 29.16 ? 3 LEU A CB 1 ATOM 19 C CG . LEU A 1 3 ? -34.755 22.760 -11.592 1.00 29.88 ? 3 LEU A CG 1 ATOM 20 C CD1 . LEU A 1 3 ? -35.818 23.533 -12.396 1.00 32.42 ? 3 LEU A CD1 1 ATOM 21 C CD2 . LEU A 1 3 ? -35.189 21.318 -11.360 1.00 31.92 ? 3 LEU A CD2 1 ATOM 22 N N . THR A 1 4 ? -30.760 21.083 -13.491 1.00 26.55 ? 4 THR A N 1 ATOM 23 C CA . THR A 1 4 ? -29.762 21.111 -14.573 1.00 25.59 ? 4 THR A CA 1 ATOM 24 C C . THR A 1 4 ? -30.017 22.282 -15.530 1.00 25.66 ? 4 THR A C 1 ATOM 25 O O . THR A 1 4 ? -31.160 22.526 -15.938 1.00 26.06 ? 4 THR A O 1 ATOM 26 C CB . THR A 1 4 ? -29.905 19.837 -15.373 1.00 26.66 ? 4 THR A CB 1 ATOM 27 O OG1 . THR A 1 4 ? -29.708 18.729 -14.499 1.00 26.28 ? 4 THR A OG1 1 ATOM 28 C CG2 . THR A 1 4 ? -28.925 19.783 -16.581 1.00 24.87 ? 4 THR A CG2 1 ATOM 29 N N . GLY A 1 5 ? -28.979 23.008 -15.900 1.00 24.83 ? 5 GLY A N 1 ATOM 30 C CA . GLY A 1 5 ? -29.121 23.991 -16.967 1.00 25.54 ? 5 GLY A CA 1 ATOM 31 C C . GLY A 1 5 ? -29.583 25.360 -16.519 1.00 26.29 ? 5 GLY A C 1 ATOM 32 O O . GLY A 1 5 ? -29.495 26.316 -17.284 1.00 28.24 ? 5 GLY A O 1 ATOM 33 N N . VAL A 1 6 ? -30.006 25.474 -15.268 1.00 24.59 ? 6 VAL A N 1 ATOM 34 C CA . VAL A 1 6 ? -30.546 26.713 -14.743 1.00 25.23 ? 6 VAL A CA 1 ATOM 35 C C . VAL A 1 6 ? -29.460 27.450 -13.931 1.00 23.20 ? 6 VAL A C 1 ATOM 36 O O . VAL A 1 6 ? -28.728 26.805 -13.187 1.00 23.02 ? 6 VAL A O 1 ATOM 37 C CB . VAL A 1 6 ? -31.776 26.387 -13.843 1.00 24.94 ? 6 VAL A CB 1 ATOM 38 C CG1 . VAL A 1 6 ? -32.172 27.576 -12.975 1.00 28.48 ? 6 VAL A CG1 1 ATOM 39 C CG2 . VAL A 1 6 ? -32.962 25.958 -14.721 1.00 29.31 ? 6 VAL A CG2 1 ATOM 40 N N . PRO A 1 7 ? -29.347 28.786 -14.085 1.00 22.94 ? 7 PRO A N 1 ATOM 41 C CA . PRO A 1 7 ? -28.336 29.557 -13.345 1.00 21.61 ? 7 PRO A CA 1 ATOM 42 C C . PRO A 1 7 ? -28.651 29.747 -11.842 1.00 20.71 ? 7 PRO A C 1 ATOM 43 O O . PRO A 1 7 ? -29.793 30.076 -11.500 1.00 20.96 ? 7 PRO A O 1 ATOM 44 C CB . PRO A 1 7 ? -28.332 30.926 -14.042 1.00 21.80 ? 7 PRO A CB 1 ATOM 45 C CG . PRO A 1 7 ? -29.613 31.032 -14.727 1.00 24.95 ? 7 PRO A CG 1 ATOM 46 C CD . PRO A 1 7 ? -30.119 29.627 -15.010 1.00 23.98 ? 7 PRO A CD 1 ATOM 47 N N . TYR A 1 8 ? -27.640 29.521 -10.990 1.00 18.39 ? 8 TYR A N 1 ATOM 48 C CA . TYR A 1 8 ? -27.719 29.697 -9.514 1.00 18.30 ? 8 TYR A CA 1 ATOM 49 C C . TYR A 1 8 ? -26.521 30.447 -9.040 1.00 17.88 ? 8 TYR A C 1 ATOM 50 O O . TYR A 1 8 ? -25.436 30.234 -9.586 1.00 15.90 ? 8 TYR A O 1 ATOM 51 C CB . TYR A 1 8 ? -27.667 28.340 -8.817 1.00 17.20 ? 8 TYR A CB 1 ATOM 52 C CG . TYR A 1 8 ? -28.936 27.560 -9.039 1.00 20.87 ? 8 TYR A CG 1 ATOM 53 C CD1 . TYR A 1 8 ? -30.051 27.742 -8.198 1.00 21.07 ? 8 TYR A CD1 1 ATOM 54 C CD2 . TYR A 1 8 ? -29.046 26.665 -10.113 1.00 21.26 ? 8 TYR A CD2 1 ATOM 55 C CE1 . TYR A 1 8 ? -31.253 27.038 -8.435 1.00 25.59 ? 8 TYR A CE1 1 ATOM 56 C CE2 . TYR A 1 8 ? -30.222 25.979 -10.360 1.00 22.95 ? 8 TYR A CE2 1 ATOM 57 C CZ . TYR A 1 8 ? -31.318 26.163 -9.512 1.00 23.83 ? 8 TYR A CZ 1 ATOM 58 O OH . TYR A 1 8 ? -32.467 25.461 -9.777 1.00 27.29 ? 8 TYR A OH 1 ATOM 59 N N . TYR A 1 9 ? -26.686 31.360 -8.071 1.00 18.81 ? 9 TYR A N 1 ATOM 60 C CA . TYR A 1 9 ? -25.512 31.863 -7.347 1.00 19.06 ? 9 TYR A CA 1 ATOM 61 C C . TYR A 1 9 ? -25.052 30.855 -6.314 1.00 19.22 ? 9 TYR A C 1 ATOM 62 O O . TYR A 1 9 ? -25.893 30.222 -5.634 1.00 21.14 ? 9 TYR A O 1 ATOM 63 C CB . TYR A 1 9 ? -25.820 33.183 -6.664 1.00 20.09 ? 9 TYR A CB 1 ATOM 64 C CG . TYR A 1 9 ? -26.264 34.229 -7.629 1.00 21.93 ? 9 TYR A CG 1 ATOM 65 C CD1 . TYR A 1 9 ? -25.318 34.969 -8.352 1.00 24.62 ? 9 TYR A CD1 1 ATOM 66 C CD2 . TYR A 1 9 ? -27.635 34.483 -7.845 1.00 23.68 ? 9 TYR A CD2 1 ATOM 67 C CE1 . TYR A 1 9 ? -25.713 35.953 -9.229 1.00 25.24 ? 9 TYR A CE1 1 ATOM 68 C CE2 . TYR A 1 9 ? -28.047 35.481 -8.751 1.00 24.79 ? 9 TYR A CE2 1 ATOM 69 C CZ . TYR A 1 9 ? -27.069 36.192 -9.438 1.00 27.85 ? 9 TYR A CZ 1 ATOM 70 O OH . TYR A 1 9 ? -27.429 37.175 -10.318 1.00 30.40 ? 9 TYR A OH 1 ATOM 71 N N . ILE A 1 10 ? -23.734 30.617 -6.260 1.00 17.94 ? 10 ILE A N 1 ATOM 72 C CA . ILE A 1 10 ? -23.121 29.932 -5.102 1.00 15.79 ? 10 ILE A CA 1 ATOM 73 C C . ILE A 1 10 ? -22.810 30.965 -4.023 1.00 17.84 ? 10 ILE A C 1 ATOM 74 O O . ILE A 1 10 ? -22.182 31.999 -4.330 1.00 15.32 ? 10 ILE A O 1 ATOM 75 C CB . ILE A 1 10 ? -21.818 29.223 -5.507 1.00 19.44 ? 10 ILE A CB 1 ATOM 76 C CG1 . ILE A 1 10 ? -22.157 28.176 -6.551 1.00 13.91 ? 10 ILE A CG1 1 ATOM 77 C CG2 . ILE A 1 10 ? -21.148 28.574 -4.283 1.00 17.43 ? 10 ILE A CG2 1 ATOM 78 C CD1 . ILE A 1 10 ? -20.923 27.637 -7.297 1.00 17.61 ? 10 ILE A CD1 1 ATOM 79 N N . LEU A 1 11 ? -23.288 30.724 -2.788 1.00 15.62 ? 11 LEU A N 1 ATOM 80 C CA . LEU A 1 11 ? -23.082 31.699 -1.712 1.00 17.99 ? 11 LEU A CA 1 ATOM 81 C C . LEU A 1 11 ? -22.650 30.900 -0.491 1.00 16.12 ? 11 LEU A C 1 ATOM 82 O O . LEU A 1 11 ? -23.064 29.755 -0.326 1.00 17.78 ? 11 LEU A O 1 ATOM 83 C CB . LEU A 1 11 ? -24.356 32.491 -1.449 1.00 17.42 ? 11 LEU A CB 1 ATOM 84 C CG . LEU A 1 11 ? -24.767 33.405 -2.587 1.00 20.50 ? 11 LEU A CG 1 ATOM 85 C CD1 . LEU A 1 11 ? -26.239 33.683 -2.510 1.00 23.01 ? 11 LEU A CD1 1 ATOM 86 C CD2 . LEU A 1 11 ? -23.997 34.730 -2.436 1.00 17.99 ? 11 LEU A CD2 1 ATOM 87 N N . PRO A 1 12 ? -21.756 31.449 0.325 1.00 16.38 ? 12 PRO A N 1 ATOM 88 C CA . PRO A 1 12 ? -21.432 30.841 1.610 1.00 16.95 ? 12 PRO A CA 1 ATOM 89 C C . PRO A 1 12 ? -22.760 30.748 2.377 1.00 17.91 ? 12 PRO A C 1 ATOM 90 O O . PRO A 1 12 ? -23.614 31.637 2.261 1.00 17.15 ? 12 PRO A O 1 ATOM 91 C CB . PRO A 1 12 ? -20.572 31.929 2.310 1.00 18.43 ? 12 PRO A CB 1 ATOM 92 C CG . PRO A 1 12 ? -20.039 32.766 1.161 1.00 16.46 ? 12 PRO A CG 1 ATOM 93 C CD . PRO A 1 12 ? -21.256 32.833 0.260 1.00 15.28 ? 12 PRO A CD 1 ATOM 94 N N . SER A 1 13 ? -22.957 29.669 3.117 1.00 17.94 ? 13 SER A N 1 ATOM 95 C CA . SER A 1 13 ? -24.226 29.469 3.852 1.00 20.53 ? 13 SER A CA 1 ATOM 96 C C . SER A 1 13 ? -24.606 30.546 4.843 1.00 21.29 ? 13 SER A C 1 ATOM 97 O O . SER A 1 13 ? -25.799 30.717 5.134 1.00 22.59 ? 13 SER A O 1 ATOM 98 C CB . SER A 1 13 ? -24.225 28.146 4.578 1.00 19.27 ? 13 SER A CB 1 ATOM 99 O OG A SER A 1 13 ? -23.165 28.125 5.525 0.49 20.86 ? 13 SER A OG 1 ATOM 100 O OG B SER A 1 13 ? -24.057 27.079 3.667 0.51 21.27 ? 13 SER A OG 1 ATOM 101 N N . THR A 1 14 ? -23.614 31.254 5.393 1.00 21.22 ? 14 THR A N 1 ATOM 102 C CA . THR A 1 14 ? -23.920 32.305 6.359 1.00 22.26 ? 14 THR A CA 1 ATOM 103 C C . THR A 1 14 ? -23.570 33.730 5.887 1.00 23.06 ? 14 THR A C 1 ATOM 104 O O . THR A 1 14 ? -23.644 34.673 6.679 1.00 23.54 ? 14 THR A O 1 ATOM 105 C CB . THR A 1 14 ? -23.211 32.038 7.697 1.00 23.05 ? 14 THR A CB 1 ATOM 106 O OG1 . THR A 1 14 ? -21.798 32.148 7.485 1.00 25.61 ? 14 THR A OG1 1 ATOM 107 C CG2 . THR A 1 14 ? -23.548 30.601 8.222 1.00 22.18 ? 14 THR A CG2 1 ATOM 108 N N . SER A 1 15 ? -23.205 33.889 4.612 1.00 20.94 ? 15 SER A N 1 ATOM 109 C CA . SER A 1 15 ? -22.765 35.212 4.110 1.00 21.66 ? 15 SER A CA 1 ATOM 110 C C . SER A 1 15 ? -23.501 35.701 2.847 1.00 20.54 ? 15 SER A C 1 ATOM 111 O O . SER A 1 15 ? -24.076 34.911 2.128 1.00 21.39 ? 15 SER A O 1 ATOM 112 C CB . SER A 1 15 ? -21.223 35.182 3.882 1.00 21.50 ? 15 SER A CB 1 ATOM 113 O OG . SER A 1 15 ? -20.776 36.342 3.210 1.00 25.17 ? 15 SER A OG 1 ATOM 114 N N . ARG A 1 16 ? -23.462 37.016 2.570 1.00 19.99 ? 16 ARG A N 1 ATOM 115 C CA . ARG A 1 16 ? -23.953 37.566 1.313 1.00 20.06 ? 16 ARG A CA 1 ATOM 116 C C . ARG A 1 16 ? -22.834 37.833 0.283 1.00 19.47 ? 16 ARG A C 1 ATOM 117 O O . ARG A 1 16 ? -23.102 38.333 -0.811 1.00 19.06 ? 16 ARG A O 1 ATOM 118 C CB . ARG A 1 16 ? -24.668 38.903 1.590 1.00 21.38 ? 16 ARG A CB 1 ATOM 119 C CG . ARG A 1 16 ? -25.773 38.744 2.659 1.00 26.56 ? 16 ARG A CG 1 ATOM 120 C CD . ARG A 1 16 ? -26.600 39.991 2.878 1.00 34.69 ? 16 ARG A CD 1 ATOM 121 N NE . ARG A 1 16 ? -25.824 41.238 2.828 1.00 43.56 ? 16 ARG A NE 1 ATOM 122 C CZ . ARG A 1 16 ? -24.989 41.685 3.771 1.00 46.77 ? 16 ARG A CZ 1 ATOM 123 N NH1 . ARG A 1 16 ? -24.751 40.980 4.871 1.00 47.43 ? 16 ARG A NH1 1 ATOM 124 N NH2 . ARG A 1 16 ? -24.379 42.857 3.602 1.00 47.90 ? 16 ARG A NH2 1 ATOM 125 N N . ALA A 1 17 ? -21.596 37.468 0.611 1.00 19.49 ? 17 ALA A N 1 ATOM 126 C CA . ALA A 1 17 ? -20.469 37.712 -0.317 1.00 18.38 ? 17 ALA A CA 1 ATOM 127 C C . ALA A 1 17 ? -20.281 36.498 -1.220 1.00 17.90 ? 17 ALA A C 1 ATOM 128 O O . ALA A 1 17 ? -19.742 35.490 -0.803 1.00 16.54 ? 17 ALA A O 1 ATOM 129 C CB . ALA A 1 17 ? -19.201 38.041 0.452 1.00 19.75 ? 17 ALA A CB 1 ATOM 130 N N . GLY A 1 18 ? -20.706 36.637 -2.471 1.00 17.35 ? 18 GLY A N 1 ATOM 131 C CA . GLY A 1 18 ? -20.628 35.590 -3.456 1.00 16.86 ? 18 GLY A CA 1 ATOM 132 C C . GLY A 1 18 ? -19.342 35.653 -4.249 1.00 17.89 ? 18 GLY A C 1 ATOM 133 O O . GLY A 1 18 ? -18.332 36.242 -3.798 1.00 15.56 ? 18 GLY A O 1 ATOM 134 N N . PHE A 1 19 ? -19.379 35.023 -5.423 1.00 15.49 ? 19 PHE A N 1 ATOM 135 C CA . PHE A 1 19 ? -18.128 34.682 -6.156 1.00 15.24 ? 19 PHE A CA 1 ATOM 136 C C . PHE A 1 19 ? -18.199 35.125 -7.615 1.00 16.81 ? 19 PHE A C 1 ATOM 137 O O . PHE A 1 19 ? -19.285 35.008 -8.230 1.00 17.04 ? 19 PHE A O 1 ATOM 138 C CB . PHE A 1 19 ? -17.947 33.149 -6.066 1.00 14.36 ? 19 PHE A CB 1 ATOM 139 C CG . PHE A 1 19 ? -17.652 32.707 -4.677 1.00 12.61 ? 19 PHE A CG 1 ATOM 140 C CD1 . PHE A 1 19 ? -16.310 32.691 -4.200 1.00 13.16 ? 19 PHE A CD1 1 ATOM 141 C CD2 . PHE A 1 19 ? -18.708 32.395 -3.794 1.00 11.83 ? 19 PHE A CD2 1 ATOM 142 C CE1 . PHE A 1 19 ? -16.038 32.368 -2.841 1.00 14.52 ? 19 PHE A CE1 1 ATOM 143 C CE2 . PHE A 1 19 ? -18.468 32.099 -2.429 1.00 12.17 ? 19 PHE A CE2 1 ATOM 144 C CZ . PHE A 1 19 ? -17.121 32.078 -1.936 1.00 11.25 ? 19 PHE A CZ 1 ATOM 145 N N . SER A 1 20 ? -17.045 35.546 -8.181 1.00 15.74 ? 20 SER A N 1 ATOM 146 C CA . SER A 1 20 ? -16.935 35.832 -9.631 1.00 14.36 ? 20 SER A CA 1 ATOM 147 C C . SER A 1 20 ? -15.563 35.307 -10.097 1.00 15.55 ? 20 SER A C 1 ATOM 148 O O . SER A 1 20 ? -14.566 35.469 -9.362 1.00 15.10 ? 20 SER A O 1 ATOM 149 C CB . SER A 1 20 ? -16.942 37.371 -9.818 1.00 14.62 ? 20 SER A CB 1 ATOM 150 O OG . SER A 1 20 ? -16.764 37.762 -11.213 1.00 15.67 ? 20 SER A OG 1 ATOM 151 N N . PRO A 1 21 ? -15.497 34.722 -11.324 1.00 15.69 ? 21 PRO A N 1 ATOM 152 C CA . PRO A 1 21 ? -14.216 34.505 -12.024 1.00 15.70 ? 21 PRO A CA 1 ATOM 153 C C . PRO A 1 21 ? -13.474 35.836 -12.017 1.00 16.57 ? 21 PRO A C 1 ATOM 154 O O . PRO A 1 21 ? -14.109 36.895 -12.171 1.00 18.52 ? 21 PRO A O 1 ATOM 155 C CB . PRO A 1 21 ? -14.627 34.172 -13.465 1.00 16.34 ? 21 PRO A CB 1 ATOM 156 C CG . PRO A 1 21 ? -16.078 33.758 -13.392 1.00 16.48 ? 21 PRO A CG 1 ATOM 157 C CD . PRO A 1 21 ? -16.665 34.226 -12.089 1.00 15.45 ? 21 PRO A CD 1 ATOM 158 N N . ASP A 1 22 ? -12.153 35.812 -11.845 1.00 17.13 ? 22 ASP A N 1 ATOM 159 C CA . ASP A 1 22 ? -11.398 37.076 -11.807 1.00 19.57 ? 22 ASP A CA 1 ATOM 160 C C . ASP A 1 22 ? -11.545 37.914 -13.042 1.00 18.89 ? 22 ASP A C 1 ATOM 161 O O . ASP A 1 22 ? -11.536 39.176 -12.977 1.00 18.38 ? 22 ASP A O 1 ATOM 162 C CB . ASP A 1 22 ? -9.921 36.753 -11.722 1.00 21.67 ? 22 ASP A CB 1 ATOM 163 C CG . ASP A 1 22 ? -9.359 37.012 -10.375 1.00 29.49 ? 22 ASP A CG 1 ATOM 164 O OD1 . ASP A 1 22 ? -9.568 38.148 -9.840 1.00 36.51 ? 22 ASP A OD1 1 ATOM 165 O OD2 . ASP A 1 22 ? -8.651 36.087 -9.882 1.00 33.73 ? 22 ASP A OD2 1 ATOM 166 N N . ASN A 1 23 ? -11.639 37.268 -14.204 1.00 18.26 ? 23 ASN A N 1 ATOM 167 C CA . ASN A 1 23 ? -11.626 38.066 -15.442 1.00 19.66 ? 23 ASN A CA 1 ATOM 168 C C . ASN A 1 23 ? -12.840 39.011 -15.512 1.00 20.78 ? 23 ASN A C 1 ATOM 169 O O . ASN A 1 23 ? -12.739 40.107 -16.055 1.00 22.36 ? 23 ASN A O 1 ATOM 170 C CB . ASN A 1 23 ? -11.528 37.199 -16.701 1.00 19.12 ? 23 ASN A CB 1 ATOM 171 C CG . ASN A 1 23 ? -12.846 36.664 -17.142 1.00 17.94 ? 23 ASN A CG 1 ATOM 172 O OD1 . ASN A 1 23 ? -13.586 37.336 -17.856 1.00 20.58 ? 23 ASN A OD1 1 ATOM 173 N ND2 . ASN A 1 23 ? -13.163 35.414 -16.729 1.00 15.06 ? 23 ASN A ND2 1 ATOM 174 N N . LEU A 1 24 ? -13.963 38.579 -14.949 1.00 20.67 ? 24 LEU A N 1 ATOM 175 C CA . LEU A 1 24 ? -15.174 39.390 -14.899 1.00 21.54 ? 24 LEU A CA 1 ATOM 176 C C . LEU A 1 24 ? -15.070 40.478 -13.882 1.00 23.36 ? 24 LEU A C 1 ATOM 177 O O . LEU A 1 24 ? -15.590 41.554 -14.094 1.00 23.31 ? 24 LEU A O 1 ATOM 178 C CB . LEU A 1 24 ? -16.405 38.549 -14.622 1.00 21.42 ? 24 LEU A CB 1 ATOM 179 C CG . LEU A 1 24 ? -16.756 37.570 -15.736 1.00 20.03 ? 24 LEU A CG 1 ATOM 180 C CD1 . LEU A 1 24 ? -17.997 36.823 -15.317 1.00 15.53 ? 24 LEU A CD1 1 ATOM 181 C CD2 . LEU A 1 24 ? -17.013 38.272 -17.080 1.00 20.37 ? 24 LEU A CD2 1 ATOM 182 N N . ARG A 1 25 ? -14.365 40.224 -12.793 1.00 24.19 ? 25 ARG A N 1 ATOM 183 C CA . ARG A 1 25 ? -14.115 41.266 -11.816 1.00 27.37 ? 25 ARG A CA 1 ATOM 184 C C . ARG A 1 25 ? -13.247 42.353 -12.436 1.00 29.11 ? 25 ARG A C 1 ATOM 185 O O . ARG A 1 25 ? -13.511 43.535 -12.266 1.00 29.92 ? 25 ARG A O 1 ATOM 186 C CB . ARG A 1 25 ? -13.485 40.663 -10.552 1.00 27.12 ? 25 ARG A CB 1 ATOM 187 C CG . ARG A 1 25 ? -13.395 41.642 -9.405 1.00 33.35 ? 25 ARG A CG 1 ATOM 188 C CD . ARG A 1 25 ? -12.745 40.969 -8.186 1.00 36.97 ? 25 ARG A CD 1 ATOM 189 N NE . ARG A 1 25 ? -11.419 40.406 -8.512 1.00 40.78 ? 25 ARG A NE 1 ATOM 190 C CZ . ARG A 1 25 ? -10.272 41.096 -8.566 1.00 42.22 ? 25 ARG A CZ 1 ATOM 191 N NH1 . ARG A 1 25 ? -10.245 42.401 -8.303 1.00 42.33 ? 25 ARG A NH1 1 ATOM 192 N NH2 . ARG A 1 25 ? -9.139 40.475 -8.887 1.00 43.61 ? 25 ARG A NH2 1 ATOM 193 N N . LYS A 1 26 ? -12.221 41.965 -13.181 1.00 28.86 ? 26 LYS A N 1 ATOM 194 C CA . LYS A 1 26 ? -11.362 42.975 -13.801 1.00 30.70 ? 26 LYS A CA 1 ATOM 195 C C . LYS A 1 26 ? -12.066 43.683 -14.942 1.00 30.87 ? 26 LYS A C 1 ATOM 196 O O . LYS A 1 26 ? -11.858 44.889 -15.179 1.00 32.37 ? 26 LYS A O 1 ATOM 197 C CB . LYS A 1 26 ? -10.039 42.350 -14.251 1.00 31.21 ? 26 LYS A CB 1 ATOM 198 C CG . LYS A 1 26 ? -9.224 41.782 -13.102 1.00 33.80 ? 26 LYS A CG 1 ATOM 199 C CD . LYS A 1 26 ? -8.362 40.612 -13.573 1.00 37.80 ? 26 LYS A CD 1 ATOM 200 C CE . LYS A 1 26 ? -6.947 41.036 -13.936 1.00 41.67 ? 26 LYS A CE 1 ATOM 201 N NZ . LYS A 1 26 ? -6.063 39.820 -14.006 1.00 44.70 ? 26 LYS A NZ 1 ATOM 202 N N . ASN A 1 27 ? -12.935 42.965 -15.638 1.00 29.51 ? 27 ASN A N 1 ATOM 203 C CA . ASN A 1 27 ? -13.747 43.579 -16.694 1.00 31.23 ? 27 ASN A CA 1 ATOM 204 C C . ASN A 1 27 ? -12.929 44.240 -17.810 1.00 32.45 ? 27 ASN A C 1 ATOM 205 O O . ASN A 1 27 ? -13.320 45.244 -18.418 1.00 33.71 ? 27 ASN A O 1 ATOM 206 C CB . ASN A 1 27 ? -14.780 44.533 -16.090 1.00 31.65 ? 27 ASN A CB 1 ATOM 207 C CG . ASN A 1 27 ? -15.970 44.735 -16.993 1.00 32.51 ? 27 ASN A CG 1 ATOM 208 O OD1 . ASN A 1 27 ? -16.699 43.809 -17.306 1.00 25.78 ? 27 ASN A OD1 1 ATOM 209 N ND2 . ASN A 1 27 ? -16.167 45.960 -17.429 1.00 34.75 ? 27 ASN A ND2 1 ATOM 210 N N . THR A 1 28 ? -11.773 43.658 -18.076 1.00 32.65 ? 28 THR A N 1 ATOM 211 C CA . THR A 1 28 ? -10.925 44.119 -19.162 1.00 34.08 ? 28 THR A CA 1 ATOM 212 C C . THR A 1 28 ? -10.372 42.938 -19.982 1.00 32.78 ? 28 THR A C 1 ATOM 213 O O . THR A 1 28 ? -10.090 41.859 -19.457 1.00 29.60 ? 28 THR A O 1 ATOM 214 C CB . THR A 1 28 ? -9.809 45.083 -18.651 1.00 35.06 ? 28 THR A CB 1 ATOM 215 O OG1 . THR A 1 28 ? -9.276 45.800 -19.761 1.00 39.64 ? 28 THR A OG1 1 ATOM 216 C CG2 . THR A 1 28 ? -8.684 44.347 -17.939 1.00 34.66 ? 28 THR A CG2 1 ATOM 217 N N . SER A 1 29 ? -10.255 43.141 -21.286 1.00 34.02 ? 29 SER A N 1 ATOM 218 C CA . SER A 1 29 ? -9.770 42.079 -22.160 1.00 33.23 ? 29 SER A CA 1 ATOM 219 C C . SER A 1 29 ? -8.424 41.505 -21.689 1.00 32.25 ? 29 SER A C 1 ATOM 220 O O . SER A 1 29 ? -7.550 42.258 -21.295 1.00 32.30 ? 29 SER A O 1 ATOM 221 C CB . SER A 1 29 ? -9.648 42.629 -23.579 1.00 35.58 ? 29 SER A CB 1 ATOM 222 O OG . SER A 1 29 ? -9.306 41.571 -24.458 1.00 37.20 ? 29 SER A OG 1 ATOM 223 N N . GLN A 1 30 ? -8.266 40.176 -21.742 1.00 30.74 ? 30 GLN A N 1 ATOM 224 C CA . GLN A 1 30 ? -7.009 39.495 -21.346 1.00 31.49 ? 30 GLN A CA 1 ATOM 225 C C . GLN A 1 30 ? -6.379 38.744 -22.527 1.00 30.46 ? 30 GLN A C 1 ATOM 226 O O . GLN A 1 30 ? -7.098 38.155 -23.318 1.00 29.39 ? 30 GLN A O 1 ATOM 227 C CB . GLN A 1 30 ? -7.295 38.477 -20.231 1.00 30.03 ? 30 GLN A CB 1 ATOM 228 C CG . GLN A 1 30 ? -7.903 39.072 -18.952 1.00 34.56 ? 30 GLN A CG 1 ATOM 229 C CD . GLN A 1 30 ? -6.959 40.042 -18.261 1.00 38.62 ? 30 GLN A CD 1 ATOM 230 O OE1 . GLN A 1 30 ? -5.773 39.760 -18.092 1.00 42.21 ? 30 GLN A OE1 1 ATOM 231 N NE2 . GLN A 1 30 ? -7.478 41.195 -17.880 1.00 41.69 ? 30 GLN A NE2 1 ATOM 232 N N . PRO A 1 31 ? -5.029 38.748 -22.648 1.00 30.94 ? 31 PRO A N 1 ATOM 233 C CA . PRO A 1 31 ? -4.404 37.969 -23.737 1.00 30.54 ? 31 PRO A CA 1 ATOM 234 C C . PRO A 1 31 ? -4.484 36.463 -23.518 1.00 29.87 ? 31 PRO A C 1 ATOM 235 O O . PRO A 1 31 ? -4.605 35.682 -24.485 1.00 29.84 ? 31 PRO A O 1 ATOM 236 C CB . PRO A 1 31 ? -2.957 38.473 -23.770 1.00 32.18 ? 31 PRO A CB 1 ATOM 237 C CG . PRO A 1 31 ? -2.806 39.365 -22.608 1.00 32.38 ? 31 PRO A CG 1 ATOM 238 C CD . PRO A 1 31 ? -4.050 39.461 -21.819 1.00 31.32 ? 31 PRO A CD 1 ATOM 239 N N . SER A 1 32 ? -4.398 36.046 -22.257 1.00 28.32 ? 32 SER A N 1 ATOM 240 C CA . SER A 1 32 ? -4.651 34.660 -21.876 1.00 27.41 ? 32 SER A CA 1 ATOM 241 C C . SER A 1 32 ? -4.985 34.712 -20.384 1.00 26.89 ? 32 SER A C 1 ATOM 242 O O . SER A 1 32 ? -4.807 35.757 -19.753 1.00 27.36 ? 32 SER A O 1 ATOM 243 C CB . SER A 1 32 ? -3.441 33.771 -22.092 1.00 27.89 ? 32 SER A CB 1 ATOM 244 O OG . SER A 1 32 ? -2.338 34.246 -21.340 1.00 29.33 ? 32 SER A OG 1 ATOM 245 N N . CYS A 1 33 ? -5.489 33.603 -19.854 1.00 24.79 ? 33 CYS A N 1 ATOM 246 C CA . CYS A 1 33 ? -5.887 33.509 -18.454 1.00 24.16 ? 33 CYS A CA 1 ATOM 247 C C . CYS A 1 33 ? -5.439 32.137 -17.993 1.00 23.18 ? 33 CYS A C 1 ATOM 248 O O . CYS A 1 33 ? -6.241 31.238 -17.903 1.00 23.71 ? 33 CYS A O 1 ATOM 249 C CB . CYS A 1 33 ? -7.412 33.611 -18.364 1.00 23.90 ? 33 CYS A CB 1 ATOM 250 S SG . CYS A 1 33 ? -8.047 35.212 -18.912 1.00 26.96 ? 33 CYS A SG 1 ATOM 251 N N . PRO A 1 34 ? -4.143 31.977 -17.713 1.00 22.86 ? 34 PRO A N 1 ATOM 252 C CA . PRO A 1 34 ? -3.621 30.663 -17.273 1.00 23.03 ? 34 PRO A CA 1 ATOM 253 C C . PRO A 1 34 ? -4.178 30.224 -15.911 1.00 21.53 ? 34 PRO A C 1 ATOM 254 O O . PRO A 1 34 ? -4.190 29.023 -15.602 1.00 21.21 ? 34 PRO A O 1 ATOM 255 C CB . PRO A 1 34 ? -2.103 30.882 -17.198 1.00 23.96 ? 34 PRO A CB 1 ATOM 256 C CG . PRO A 1 34 ? -1.937 32.402 -17.089 1.00 25.73 ? 34 PRO A CG 1 ATOM 257 C CD . PRO A 1 34 ? -3.094 33.003 -17.833 1.00 24.93 ? 34 PRO A CD 1 ATOM 258 N N . LEU A 1 35 ? -4.644 31.181 -15.121 1.00 20.79 ? 35 LEU A N 1 ATOM 259 C CA . LEU A 1 35 ? -5.201 30.881 -13.807 1.00 20.61 ? 35 LEU A CA 1 ATOM 260 C C . LEU A 1 35 ? -6.275 31.900 -13.421 1.00 20.75 ? 35 LEU A C 1 ATOM 261 O O . LEU A 1 35 ? -6.015 32.845 -12.647 1.00 22.01 ? 35 LEU A O 1 ATOM 262 C CB . LEU A 1 35 ? -4.063 30.869 -12.784 1.00 21.69 ? 35 LEU A CB 1 ATOM 263 C CG . LEU A 1 35 ? -4.265 30.056 -11.531 1.00 23.02 ? 35 LEU A CG 1 ATOM 264 C CD1 . LEU A 1 35 ? -3.890 28.625 -11.881 1.00 23.78 ? 35 LEU A CD1 1 ATOM 265 C CD2 . LEU A 1 35 ? -3.405 30.620 -10.386 1.00 25.61 ? 35 LEU A CD2 1 ATOM 266 N N . ASP A 1 36 ? -7.463 31.733 -14.001 1.00 17.60 ? 36 ASP A N 1 ATOM 267 C CA . ASP A 1 36 ? -8.593 32.600 -13.718 1.00 17.67 ? 36 ASP A CA 1 ATOM 268 C C . ASP A 1 36 ? -9.360 32.081 -12.466 1.00 15.84 ? 36 ASP A C 1 ATOM 269 O O . ASP A 1 36 ? -10.255 31.255 -12.570 1.00 16.59 ? 36 ASP A O 1 ATOM 270 C CB . ASP A 1 36 ? -9.500 32.639 -14.955 1.00 17.54 ? 36 ASP A CB 1 ATOM 271 C CG . ASP A 1 36 ? -10.621 33.684 -14.866 1.00 15.83 ? 36 ASP A CG 1 ATOM 272 O OD1 . ASP A 1 36 ? -10.365 34.836 -14.520 1.00 22.35 ? 36 ASP A OD1 1 ATOM 273 O OD2 . ASP A 1 36 ? -11.776 33.346 -15.251 1.00 16.86 ? 36 ASP A OD2 1 ATOM 274 N N . LEU A 1 37 ? -8.975 32.554 -11.298 1.00 16.41 ? 37 LEU A N 1 ATOM 275 C CA . LEU A 1 37 ? -9.569 32.079 -10.039 1.00 16.46 ? 37 LEU A CA 1 ATOM 276 C C . LEU A 1 37 ? -11.031 32.534 -9.835 1.00 17.40 ? 37 LEU A C 1 ATOM 277 O O . LEU A 1 37 ? -11.510 33.476 -10.469 1.00 17.87 ? 37 LEU A O 1 ATOM 278 C CB . LEU A 1 37 ? -8.712 32.608 -8.876 1.00 17.14 ? 37 LEU A CB 1 ATOM 279 C CG . LEU A 1 37 ? -7.214 32.344 -8.871 1.00 16.71 ? 37 LEU A CG 1 ATOM 280 C CD1 . LEU A 1 37 ? -6.579 33.183 -7.787 1.00 22.35 ? 37 LEU A CD1 1 ATOM 281 C CD2 . LEU A 1 37 ? -6.960 30.849 -8.692 1.00 13.87 ? 37 LEU A CD2 1 ATOM 282 N N . ILE A 1 38 ? -11.706 31.893 -8.885 1.00 18.44 ? 38 ILE A N 1 ATOM 283 C CA . ILE A 1 38 ? -13.071 32.274 -8.537 1.00 18.99 ? 38 ILE A CA 1 ATOM 284 C C . ILE A 1 38 ? -12.907 33.003 -7.212 1.00 18.00 ? 38 ILE A C 1 ATOM 285 O O . ILE A 1 38 ? -12.598 32.357 -6.209 1.00 19.01 ? 38 ILE A O 1 ATOM 286 C CB . ILE A 1 38 ? -13.984 31.062 -8.391 1.00 17.36 ? 38 ILE A CB 1 ATOM 287 C CG1 . ILE A 1 38 ? -13.890 30.076 -9.603 1.00 20.41 ? 38 ILE A CG1 1 ATOM 288 C CG2 . ILE A 1 38 ? -15.457 31.492 -8.070 1.00 18.68 ? 38 ILE A CG2 1 ATOM 289 C CD1 . ILE A 1 38 ? -14.486 30.561 -10.902 1.00 18.22 ? 38 ILE A CD1 1 ATOM 290 N N . THR A 1 39 ? -13.041 34.322 -7.240 1.00 18.38 ? 39 THR A N 1 ATOM 291 C CA . THR A 1 39 ? -12.749 35.139 -6.081 1.00 17.21 ? 39 THR A CA 1 ATOM 292 C C . THR A 1 39 ? -14.003 35.688 -5.368 1.00 17.09 ? 39 THR A C 1 ATOM 293 O O . THR A 1 39 ? -15.034 35.916 -5.981 1.00 16.11 ? 39 THR A O 1 ATOM 294 C CB . THR A 1 39 ? -11.733 36.286 -6.400 1.00 19.49 ? 39 THR A CB 1 ATOM 295 O OG1 A THR A 1 39 ? -12.369 37.279 -7.206 0.50 16.26 ? 39 THR A OG1 1 ATOM 296 O OG1 B THR A 1 39 ? -11.709 37.202 -5.332 0.50 17.37 ? 39 THR A OG1 1 ATOM 297 C CG2 A THR A 1 39 ? -10.453 35.744 -7.042 0.50 18.45 ? 39 THR A CG2 1 ATOM 298 C CG2 B THR A 1 39 ? -12.132 37.018 -7.711 0.50 17.81 ? 39 THR A CG2 1 ATOM 299 N N . GLN A 1 40 ? -13.903 35.907 -4.065 1.00 17.35 ? 40 GLN A N 1 ATOM 300 C CA . GLN A 1 40 ? -15.091 36.309 -3.319 1.00 15.88 ? 40 GLN A CA 1 ATOM 301 C C . GLN A 1 40 ? -15.224 37.823 -3.367 1.00 17.12 ? 40 GLN A C 1 ATOM 302 O O . GLN A 1 40 ? -14.224 38.575 -3.269 1.00 20.07 ? 40 GLN A O 1 ATOM 303 C CB . GLN A 1 40 ? -14.983 35.807 -1.889 1.00 15.78 ? 40 GLN A CB 1 ATOM 304 C CG . GLN A 1 40 ? -16.310 35.918 -1.104 1.00 16.46 ? 40 GLN A CG 1 ATOM 305 C CD . GLN A 1 40 ? -16.185 35.367 0.280 1.00 21.44 ? 40 GLN A CD 1 ATOM 306 O OE1 . GLN A 1 40 ? -15.091 35.316 0.870 1.00 22.43 ? 40 GLN A OE1 1 ATOM 307 N NE2 . GLN A 1 40 ? -17.308 34.945 0.829 1.00 21.18 ? 40 GLN A NE2 1 ATOM 308 N N . LEU A 1 41 ? -16.471 38.270 -3.518 1.00 17.04 ? 41 LEU A N 1 ATOM 309 C CA . LEU A 1 41 ? -16.770 39.714 -3.584 1.00 18.54 ? 41 LEU A CA 1 ATOM 310 C C . LEU A 1 41 ? -17.187 40.204 -2.177 1.00 21.26 ? 41 LEU A C 1 ATOM 311 O O . LEU A 1 41 ? -18.288 39.892 -1.707 1.00 20.39 ? 41 LEU A O 1 ATOM 312 C CB . LEU A 1 41 ? -17.884 39.918 -4.634 1.00 18.56 ? 41 LEU A CB 1 ATOM 313 C CG . LEU A 1 41 ? -17.607 39.392 -6.045 1.00 21.53 ? 41 LEU A CG 1 ATOM 314 C CD1 . LEU A 1 41 ? -18.671 39.906 -7.001 1.00 23.64 ? 41 LEU A CD1 1 ATOM 315 C CD2 . LEU A 1 41 ? -16.197 39.858 -6.516 1.00 19.18 ? 41 LEU A CD2 1 ATOM 316 N N . ARG A 1 42 ? -16.308 40.980 -1.529 1.00 22.88 ? 42 ARG A N 1 ATOM 317 C CA . ARG A 1 42 ? -16.387 41.214 -0.079 1.00 25.62 ? 42 ARG A CA 1 ATOM 318 C C . ARG A 1 42 ? -16.573 42.664 0.316 1.00 28.52 ? 42 ARG A C 1 ATOM 319 O O . ARG A 1 42 ? -17.021 42.962 1.438 1.00 30.26 ? 42 ARG A O 1 ATOM 320 C CB . ARG A 1 42 ? -15.125 40.718 0.594 1.00 24.93 ? 42 ARG A CB 1 ATOM 321 C CG . ARG A 1 42 ? -15.042 39.188 0.584 1.00 24.98 ? 42 ARG A CG 1 ATOM 322 C CD . ARG A 1 42 ? -13.817 38.699 1.353 1.00 33.17 ? 42 ARG A CD 1 ATOM 323 N NE . ARG A 1 42 ? -14.025 38.730 2.805 1.00 37.83 ? 42 ARG A NE 1 ATOM 324 C CZ . ARG A 1 42 ? -13.113 39.133 3.696 1.00 42.56 ? 42 ARG A CZ 1 ATOM 325 N NH1 . ARG A 1 42 ? -11.912 39.579 3.300 1.00 40.76 ? 42 ARG A NH1 1 ATOM 326 N NH2 . ARG A 1 42 ? -13.413 39.117 4.998 1.00 44.99 ? 42 ARG A NH2 1 ATOM 327 N N . PHE A 1 43 ? -16.186 43.572 -0.561 1.00 31.24 ? 43 PHE A N 1 ATOM 328 C CA . PHE A 1 43 ? -16.195 44.993 -0.150 1.00 33.65 ? 43 PHE A CA 1 ATOM 329 C C . PHE A 1 43 ? -16.932 45.966 -1.073 1.00 34.82 ? 43 PHE A C 1 ATOM 330 O O . PHE A 1 43 ? -16.276 46.669 -1.880 1.00 35.38 ? 43 PHE A O 1 ATOM 331 C CB . PHE A 1 43 ? -14.770 45.517 0.141 1.00 36.10 ? 43 PHE A CB 1 ATOM 332 C CG . PHE A 1 43 ? -14.033 44.742 1.213 1.00 38.76 ? 43 PHE A CG 1 ATOM 333 C CD1 . PHE A 1 43 ? -12.981 43.889 0.873 1.00 40.46 ? 43 PHE A CD1 1 ATOM 334 C CD2 . PHE A 1 43 ? -14.376 44.881 2.561 1.00 43.79 ? 43 PHE A CD2 1 ATOM 335 C CE1 . PHE A 1 43 ? -12.292 43.177 1.863 1.00 42.85 ? 43 PHE A CE1 1 ATOM 336 C CE2 . PHE A 1 43 ? -13.694 44.176 3.558 1.00 46.15 ? 43 PHE A CE2 1 ATOM 337 C CZ . PHE A 1 43 ? -12.649 43.319 3.203 1.00 44.57 ? 43 PHE A CZ 1 ATOM 338 N N . PRO A 1 44 ? -18.279 46.078 -0.922 1.00 33.57 ? 44 PRO A N 1 ATOM 339 C CA . PRO A 1 44 ? -19.123 45.398 0.055 1.00 32.62 ? 44 PRO A CA 1 ATOM 340 C C . PRO A 1 44 ? -19.462 43.990 -0.448 1.00 30.32 ? 44 PRO A C 1 ATOM 341 O O . PRO A 1 44 ? -19.087 43.653 -1.568 1.00 31.53 ? 44 PRO A O 1 ATOM 342 C CB . PRO A 1 44 ? -20.392 46.239 0.052 1.00 33.88 ? 44 PRO A CB 1 ATOM 343 C CG . PRO A 1 44 ? -20.504 46.708 -1.406 1.00 33.20 ? 44 PRO A CG 1 ATOM 344 C CD . PRO A 1 44 ? -19.069 46.929 -1.843 1.00 33.67 ? 44 PRO A CD 1 ATOM 345 N N . PRO A 1 45 ? -20.165 43.175 0.360 1.00 28.62 ? 45 PRO A N 1 ATOM 346 C CA . PRO A 1 45 ? -20.621 41.864 -0.145 1.00 25.70 ? 45 PRO A CA 1 ATOM 347 C C . PRO A 1 45 ? -21.574 41.981 -1.345 1.00 25.16 ? 45 PRO A C 1 ATOM 348 O O . PRO A 1 45 ? -22.505 42.827 -1.316 1.00 25.76 ? 45 PRO A O 1 ATOM 349 C CB . PRO A 1 45 ? -21.320 41.235 1.064 1.00 26.49 ? 45 PRO A CB 1 ATOM 350 C CG . PRO A 1 45 ? -20.767 42.000 2.281 1.00 28.02 ? 45 PRO A CG 1 ATOM 351 C CD . PRO A 1 45 ? -20.539 43.399 1.771 1.00 30.01 ? 45 PRO A CD 1 ATOM 352 N N . ARG A 1 46 ? -21.318 41.185 -2.406 1.00 22.31 ? 46 ARG A N 1 ATOM 353 C CA . ARG A 1 46 ? -22.118 41.230 -3.663 1.00 22.12 ? 46 ARG A CA 1 ATOM 354 C C . ARG A 1 46 ? -22.412 39.808 -4.047 1.00 21.13 ? 46 ARG A C 1 ATOM 355 O O . ARG A 1 46 ? -21.579 38.957 -3.822 1.00 20.27 ? 46 ARG A O 1 ATOM 356 C CB . ARG A 1 46 ? -21.327 41.829 -4.846 1.00 22.96 ? 46 ARG A CB 1 ATOM 357 C CG . ARG A 1 46 ? -21.500 43.305 -5.010 1.00 26.08 ? 46 ARG A CG 1 ATOM 358 C CD . ARG A 1 46 ? -20.233 43.962 -4.642 1.00 34.01 ? 46 ARG A CD 1 ATOM 359 N NE . ARG A 1 46 ? -19.100 43.743 -5.558 1.00 33.01 ? 46 ARG A NE 1 ATOM 360 C CZ . ARG A 1 46 ? -17.840 43.686 -5.134 1.00 30.99 ? 46 ARG A CZ 1 ATOM 361 N NH1 . ARG A 1 46 ? -17.603 43.760 -3.835 1.00 31.19 ? 46 ARG A NH1 1 ATOM 362 N NH2 . ARG A 1 46 ? -16.823 43.526 -5.981 1.00 29.42 ? 46 ARG A NH2 1 ATOM 363 N N . ILE A 1 47 ? -23.577 39.576 -4.660 1.00 20.65 ? 47 ILE A N 1 ATOM 364 C CA . ILE A 1 47 ? -24.004 38.196 -4.955 1.00 20.02 ? 47 ILE A CA 1 ATOM 365 C C . ILE A 1 47 ? -23.131 37.464 -5.992 1.00 18.99 ? 47 ILE A C 1 ATOM 366 O O . ILE A 1 47 ? -23.109 36.207 -6.026 1.00 16.83 ? 47 ILE A O 1 ATOM 367 C CB . ILE A 1 47 ? -25.466 38.219 -5.424 1.00 22.20 ? 47 ILE A CB 1 ATOM 368 C CG1 . ILE A 1 47 ? -26.143 36.903 -5.147 1.00 19.12 ? 47 ILE A CG1 1 ATOM 369 C CG2 . ILE A 1 47 ? -25.590 38.595 -6.899 1.00 24.16 ? 47 ILE A CG2 1 ATOM 370 C CD1 . ILE A 1 47 ? -27.669 37.009 -5.243 1.00 21.83 ? 47 ILE A CD1 1 ATOM 371 N N . GLY A 1 48 ? -22.384 38.227 -6.783 1.00 17.58 ? 48 GLY A N 1 ATOM 372 C CA . GLY A 1 48 ? -21.469 37.669 -7.795 1.00 17.80 ? 48 GLY A CA 1 ATOM 373 C C . GLY A 1 48 ? -22.104 37.316 -9.119 1.00 18.25 ? 48 GLY A C 1 ATOM 374 O O . GLY A 1 48 ? -22.987 38.035 -9.620 1.00 19.72 ? 48 GLY A O 1 ATOM 375 N N . VAL A 1 49 ? -21.672 36.180 -9.678 1.00 18.24 ? 49 VAL A N 1 ATOM 376 C CA . VAL A 1 49 ? -22.004 35.770 -11.040 1.00 17.41 ? 49 VAL A CA 1 ATOM 377 C C . VAL A 1 49 ? -22.525 34.340 -10.970 1.00 17.77 ? 49 VAL A C 1 ATOM 378 O O . VAL A 1 49 ? -21.862 33.486 -10.389 1.00 19.82 ? 49 VAL A O 1 ATOM 379 C CB . VAL A 1 49 ? -20.769 35.781 -11.981 1.00 16.58 ? 49 VAL A CB 1 ATOM 380 C CG1 . VAL A 1 49 ? -21.212 35.367 -13.423 1.00 15.91 ? 49 VAL A CG1 1 ATOM 381 C CG2 . VAL A 1 49 ? -20.180 37.200 -12.033 1.00 15.28 ? 49 VAL A CG2 1 ATOM 382 N N . PRO A 1 50 ? -23.711 34.065 -11.568 1.00 17.80 ? 50 PRO A N 1 ATOM 383 C CA . PRO A 1 50 ? -24.249 32.692 -11.487 1.00 18.15 ? 50 PRO A CA 1 ATOM 384 C C . PRO A 1 50 ? -23.450 31.627 -12.227 1.00 17.14 ? 50 PRO A C 1 ATOM 385 O O . PRO A 1 50 ? -22.626 31.930 -13.102 1.00 17.42 ? 50 PRO A O 1 ATOM 386 C CB . PRO A 1 50 ? -25.626 32.816 -12.183 1.00 18.80 ? 50 PRO A CB 1 ATOM 387 C CG . PRO A 1 50 ? -25.797 34.276 -12.538 1.00 22.41 ? 50 PRO A CG 1 ATOM 388 C CD . PRO A 1 50 ? -24.453 34.893 -12.537 1.00 19.43 ? 50 PRO A CD 1 ATOM 389 N N . VAL A 1 51 ? -23.689 30.364 -11.863 1.00 16.11 ? 51 VAL A N 1 ATOM 390 C CA . VAL A 1 51 ? -23.142 29.227 -12.542 1.00 15.96 ? 51 VAL A CA 1 ATOM 391 C C . VAL A 1 51 ? -24.282 28.353 -12.979 1.00 16.82 ? 51 VAL A C 1 ATOM 392 O O . VAL A 1 51 ? -25.420 28.502 -12.483 1.00 18.26 ? 51 VAL A O 1 ATOM 393 C CB . VAL A 1 51 ? -22.244 28.351 -11.617 1.00 15.37 ? 51 VAL A CB 1 ATOM 394 C CG1 . VAL A 1 51 ? -20.967 29.116 -11.217 1.00 14.95 ? 51 VAL A CG1 1 ATOM 395 C CG2 . VAL A 1 51 ? -22.997 27.904 -10.328 1.00 16.87 ? 51 VAL A CG2 1 ATOM 396 N N . ILE A 1 52 ? -23.976 27.393 -13.857 1.00 17.06 ? 52 ILE A N 1 ATOM 397 C CA . ILE A 1 52 ? -24.906 26.334 -14.254 1.00 18.48 ? 52 ILE A CA 1 ATOM 398 C C . ILE A 1 52 ? -24.261 24.981 -13.987 1.00 18.28 ? 52 ILE A C 1 ATOM 399 O O . ILE A 1 52 ? -23.067 24.774 -14.283 1.00 17.97 ? 52 ILE A O 1 ATOM 400 C CB . ILE A 1 52 ? -25.248 26.438 -15.772 1.00 19.25 ? 52 ILE A CB 1 ATOM 401 C CG1 . ILE A 1 52 ? -26.147 27.650 -16.014 1.00 22.20 ? 52 ILE A CG1 1 ATOM 402 C CG2 . ILE A 1 52 ? -25.914 25.141 -16.272 1.00 17.27 ? 52 ILE A CG2 1 ATOM 403 C CD1 . ILE A 1 52 ? -26.078 28.233 -17.461 1.00 25.51 ? 52 ILE A CD1 1 ATOM 404 N N . PHE A 1 53 ? -25.057 24.065 -13.458 1.00 18.77 ? 53 PHE A N 1 ATOM 405 C CA . PHE A 1 53 ? -24.636 22.683 -13.183 1.00 19.15 ? 53 PHE A CA 1 ATOM 406 C C . PHE A 1 53 ? -25.089 21.721 -14.282 1.00 21.02 ? 53 PHE A C 1 ATOM 407 O O . PHE A 1 53 ? -26.261 21.746 -14.705 1.00 22.01 ? 53 PHE A O 1 ATOM 408 C CB . PHE A 1 53 ? -25.201 22.236 -11.827 1.00 19.86 ? 53 PHE A CB 1 ATOM 409 C CG . PHE A 1 53 ? -24.741 23.092 -10.697 1.00 19.45 ? 53 PHE A CG 1 ATOM 410 C CD1 . PHE A 1 53 ? -23.476 22.907 -10.162 1.00 19.25 ? 53 PHE A CD1 1 ATOM 411 C CD2 . PHE A 1 53 ? -25.546 24.134 -10.203 1.00 21.28 ? 53 PHE A CD2 1 ATOM 412 C CE1 . PHE A 1 53 ? -22.994 23.728 -9.111 1.00 20.55 ? 53 PHE A CE1 1 ATOM 413 C CE2 . PHE A 1 53 ? -25.100 24.969 -9.171 1.00 20.55 ? 53 PHE A CE2 1 ATOM 414 C CZ . PHE A 1 53 ? -23.802 24.787 -8.612 1.00 15.46 ? 53 PHE A CZ 1 ATOM 415 N N . THR A 1 54 ? -24.172 20.883 -14.757 1.00 21.01 ? 54 THR A N 1 ATOM 416 C CA . THR A 1 54 ? -24.520 19.873 -15.777 1.00 22.63 ? 54 THR A CA 1 ATOM 417 C C . THR A 1 54 ? -24.071 18.493 -15.312 1.00 23.97 ? 54 THR A C 1 ATOM 418 O O . THR A 1 54 ? -22.863 18.198 -15.297 1.00 22.78 ? 54 THR A O 1 ATOM 419 C CB . THR A 1 54 ? -23.878 20.205 -17.158 1.00 22.26 ? 54 THR A CB 1 ATOM 420 O OG1 A THR A 1 54 ? -23.975 21.605 -17.428 0.50 20.37 ? 54 THR A OG1 1 ATOM 421 O OG1 B THR A 1 54 ? -22.488 20.480 -16.998 0.50 23.65 ? 54 THR A OG1 1 ATOM 422 C CG2 A THR A 1 54 ? -24.518 19.399 -18.299 0.50 21.61 ? 54 THR A CG2 1 ATOM 423 C CG2 B THR A 1 54 ? -24.487 21.451 -17.704 0.50 23.09 ? 54 THR A CG2 1 ATOM 424 N N . PRO A 1 55 ? -25.028 17.632 -14.923 1.00 25.88 ? 55 PRO A N 1 ATOM 425 C CA . PRO A 1 55 ? -24.685 16.306 -14.464 1.00 26.72 ? 55 PRO A CA 1 ATOM 426 C C . PRO A 1 55 ? -24.030 15.482 -15.577 1.00 28.68 ? 55 PRO A C 1 ATOM 427 O O . PRO A 1 55 ? -24.341 15.660 -16.772 1.00 28.85 ? 55 PRO A O 1 ATOM 428 C CB . PRO A 1 55 ? -26.060 15.709 -14.104 1.00 27.95 ? 55 PRO A CB 1 ATOM 429 C CG . PRO A 1 55 ? -26.851 16.901 -13.699 1.00 27.32 ? 55 PRO A CG 1 ATOM 430 C CD . PRO A 1 55 ? -26.469 17.902 -14.725 1.00 26.61 ? 55 PRO A CD 1 ATOM 431 N N . GLN A 1 56 ? -23.141 14.581 -15.169 1.00 29.58 ? 56 GLN A N 1 ATOM 432 C CA . GLN A 1 56 ? -22.492 13.663 -16.090 1.00 31.69 ? 56 GLN A CA 1 ATOM 433 C C . GLN A 1 56 ? -23.519 12.792 -16.822 1.00 34.19 ? 56 GLN A C 1 ATOM 434 O O . GLN A 1 56 ? -23.303 12.360 -17.954 1.00 34.04 ? 56 GLN A O 1 ATOM 435 C CB . GLN A 1 56 ? -21.586 12.756 -15.303 1.00 31.79 ? 56 GLN A CB 1 ATOM 436 C CG . GLN A 1 56 ? -20.998 11.608 -16.123 1.00 30.96 ? 56 GLN A CG 1 ATOM 437 C CD . GLN A 1 56 ? -19.763 11.123 -15.460 1.00 26.89 ? 56 GLN A CD 1 ATOM 438 O OE1 . GLN A 1 56 ? -19.771 10.902 -14.255 1.00 27.68 ? 56 GLN A OE1 1 ATOM 439 N NE2 . GLN A 1 56 ? -18.686 10.973 -16.216 1.00 31.06 ? 56 GLN A NE2 1 ATOM 440 N N . ASN A 1 57 ? -24.614 12.513 -16.126 1.00 35.85 ? 57 ASN A N 1 ATOM 441 C CA . ASN A 1 57 ? -25.736 11.821 -16.720 1.00 38.78 ? 57 ASN A CA 1 ATOM 442 C C . ASN A 1 57 ? -26.614 12.895 -17.323 1.00 38.36 ? 57 ASN A C 1 ATOM 443 O O . ASN A 1 57 ? -27.275 13.655 -16.624 1.00 37.25 ? 57 ASN A O 1 ATOM 444 C CB . ASN A 1 57 ? -26.463 10.969 -15.670 1.00 40.68 ? 57 ASN A CB 1 ATOM 445 C CG . ASN A 1 57 ? -27.606 10.144 -16.253 1.00 45.17 ? 57 ASN A CG 1 ATOM 446 O OD1 . ASN A 1 57 ? -28.071 10.390 -17.376 1.00 45.66 ? 57 ASN A OD1 1 ATOM 447 N ND2 . ASN A 1 57 ? -28.074 9.160 -15.474 1.00 52.73 ? 57 ASN A ND2 1 ATOM 448 N N . SER A 1 58 ? -26.571 12.968 -18.641 1.00 39.61 ? 58 SER A N 1 ATOM 449 C CA . SER A 1 58 ? -27.234 14.024 -19.390 1.00 40.67 ? 58 SER A CA 1 ATOM 450 C C . SER A 1 58 ? -28.755 13.821 -19.475 1.00 41.53 ? 58 SER A C 1 ATOM 451 O O . SER A 1 58 ? -29.480 14.716 -19.939 1.00 41.61 ? 58 SER A O 1 ATOM 452 C CB . SER A 1 58 ? -26.612 14.113 -20.791 1.00 41.65 ? 58 SER A CB 1 ATOM 453 O OG . SER A 1 58 ? -26.567 12.816 -21.374 1.00 45.57 ? 58 SER A OG 1 ATOM 454 N N . SER A 1 59 ? -29.232 12.649 -19.031 1.00 42.50 ? 59 SER A N 1 ATOM 455 C CA . SER A 1 59 ? -30.676 12.393 -18.901 1.00 43.13 ? 59 SER A CA 1 ATOM 456 C C . SER A 1 59 ? -31.279 13.234 -17.773 1.00 41.72 ? 59 SER A C 1 ATOM 457 O O . SER A 1 59 ? -32.471 13.558 -17.801 1.00 42.28 ? 59 SER A O 1 ATOM 458 C CB . SER A 1 59 ? -30.966 10.911 -18.612 1.00 44.86 ? 59 SER A CB 1 ATOM 459 O OG . SER A 1 59 ? -30.261 10.068 -19.505 1.00 47.73 ? 59 SER A OG 1 ATOM 460 N N . LEU A 1 60 ? -30.456 13.580 -16.781 1.00 38.98 ? 60 LEU A N 1 ATOM 461 C CA . LEU A 1 60 ? -30.961 14.114 -15.519 1.00 37.26 ? 60 LEU A CA 1 ATOM 462 C C . LEU A 1 60 ? -31.425 15.566 -15.591 1.00 35.63 ? 60 LEU A C 1 ATOM 463 O O . LEU A 1 60 ? -30.674 16.446 -15.988 1.00 33.58 ? 60 LEU A O 1 ATOM 464 C CB . LEU A 1 60 ? -29.931 13.923 -14.395 1.00 36.88 ? 60 LEU A CB 1 ATOM 465 C CG . LEU A 1 60 ? -29.639 12.483 -13.957 1.00 37.96 ? 60 LEU A CG 1 ATOM 466 C CD1 . LEU A 1 60 ? -28.614 12.484 -12.839 1.00 36.10 ? 60 LEU A CD1 1 ATOM 467 C CD2 . LEU A 1 60 ? -30.906 11.742 -13.541 1.00 39.54 ? 60 LEU A CD2 1 ATOM 468 N N . LYS A 1 61 ? -32.676 15.803 -15.213 1.00 34.58 ? 61 LYS A N 1 ATOM 469 C CA . LYS A 1 61 ? -33.226 17.156 -15.206 1.00 33.44 ? 61 LYS A CA 1 ATOM 470 C C . LYS A 1 61 ? -33.015 17.845 -13.856 1.00 31.52 ? 61 LYS A C 1 ATOM 471 O O . LYS A 1 61 ? -33.059 19.068 -13.781 1.00 30.15 ? 61 LYS A O 1 ATOM 472 C CB . LYS A 1 61 ? -34.721 17.137 -15.552 1.00 35.10 ? 61 LYS A CB 1 ATOM 473 C CG . LYS A 1 61 ? -34.997 16.863 -17.039 1.00 37.82 ? 61 LYS A CG 1 ATOM 474 C CD . LYS A 1 61 ? -36.476 16.855 -17.336 1.00 44.29 ? 61 LYS A CD 1 ATOM 475 C CE . LYS A 1 61 ? -36.862 15.716 -18.303 1.00 49.65 ? 61 LYS A CE 1 ATOM 476 N NZ . LYS A 1 61 ? -36.602 16.044 -19.737 1.00 52.50 ? 61 LYS A NZ 1 ATOM 477 N N . VAL A 1 62 ? -32.841 17.047 -12.806 1.00 30.83 ? 62 VAL A N 1 ATOM 478 C CA . VAL A 1 62 ? -32.605 17.535 -11.449 1.00 30.76 ? 62 VAL A CA 1 ATOM 479 C C . VAL A 1 62 ? -31.171 17.113 -11.105 1.00 29.32 ? 62 VAL A C 1 ATOM 480 O O . VAL A 1 62 ? -30.768 15.988 -11.352 1.00 30.26 ? 62 VAL A O 1 ATOM 481 C CB . VAL A 1 62 ? -33.590 16.904 -10.399 1.00 32.08 ? 62 VAL A CB 1 ATOM 482 C CG1 . VAL A 1 62 ? -33.264 17.388 -8.985 1.00 32.18 ? 62 VAL A CG1 1 ATOM 483 C CG2 . VAL A 1 62 ? -35.072 17.200 -10.743 1.00 34.09 ? 62 VAL A CG2 1 ATOM 484 N N . VAL A 1 63 ? -30.398 18.026 -10.548 1.00 27.95 ? 63 VAL A N 1 ATOM 485 C CA . VAL A 1 63 ? -29.004 17.722 -10.230 1.00 26.95 ? 63 VAL A CA 1 ATOM 486 C C . VAL A 1 63 ? -28.973 16.829 -8.973 1.00 27.34 ? 63 VAL A C 1 ATOM 487 O O . VAL A 1 63 ? -29.520 17.195 -7.942 1.00 28.01 ? 63 VAL A O 1 ATOM 488 C CB . VAL A 1 63 ? -28.231 19.022 -9.997 1.00 25.32 ? 63 VAL A CB 1 ATOM 489 C CG1 . VAL A 1 63 ? -26.812 18.716 -9.426 1.00 25.76 ? 63 VAL A CG1 1 ATOM 490 C CG2 . VAL A 1 63 ? -28.158 19.840 -11.298 1.00 24.90 ? 63 VAL A CG2 1 ATOM 491 N N . PRO A 1 64 ? -28.391 15.614 -9.069 1.00 28.54 ? 64 PRO A N 1 ATOM 492 C CA . PRO A 1 64 ? -28.339 14.782 -7.877 1.00 28.86 ? 64 PRO A CA 1 ATOM 493 C C . PRO A 1 64 ? -27.111 15.111 -7.024 1.00 27.90 ? 64 PRO A C 1 ATOM 494 O O . PRO A 1 64 ? -26.120 15.676 -7.549 1.00 26.89 ? 64 PRO A O 1 ATOM 495 C CB . PRO A 1 64 ? -28.174 13.384 -8.451 1.00 30.42 ? 64 PRO A CB 1 ATOM 496 C CG . PRO A 1 64 ? -27.314 13.619 -9.675 1.00 29.75 ? 64 PRO A CG 1 ATOM 497 C CD . PRO A 1 64 ? -27.692 14.992 -10.208 1.00 29.51 ? 64 PRO A CD 1 ATOM 498 N N . LEU A 1 65 ? -27.177 14.732 -5.745 1.00 26.83 ? 65 LEU A N 1 ATOM 499 C CA . LEU A 1 65 ? -26.061 14.932 -4.820 1.00 25.31 ? 65 LEU A CA 1 ATOM 500 C C . LEU A 1 65 ? -25.092 13.776 -5.025 1.00 25.45 ? 65 LEU A C 1 ATOM 501 O O . LEU A 1 65 ? -25.527 12.674 -5.396 1.00 24.70 ? 65 LEU A O 1 ATOM 502 C CB . LEU A 1 65 ? -26.562 14.910 -3.360 1.00 25.04 ? 65 LEU A CB 1 ATOM 503 C CG . LEU A 1 65 ? -27.507 16.022 -2.943 1.00 27.64 ? 65 LEU A CG 1 ATOM 504 C CD1 . LEU A 1 65 ? -27.855 15.830 -1.467 1.00 30.89 ? 65 LEU A CD1 1 ATOM 505 C CD2 . LEU A 1 65 ? -26.827 17.367 -3.166 1.00 22.77 ? 65 LEU A CD2 1 ATOM 506 N N . SER A 1 66 ? -23.803 14.008 -4.762 1.00 23.78 ? 66 SER A N 1 ATOM 507 C CA . SER A 1 66 ? -22.807 12.951 -4.757 1.00 26.42 ? 66 SER A CA 1 ATOM 508 C C . SER A 1 66 ? -22.596 12.317 -6.103 1.00 27.14 ? 66 SER A C 1 ATOM 509 O O . SER A 1 66 ? -22.117 11.206 -6.151 1.00 29.35 ? 66 SER A O 1 ATOM 510 C CB . SER A 1 66 ? -23.178 11.815 -3.796 1.00 27.72 ? 66 SER A CB 1 ATOM 511 O OG . SER A 1 66 ? -23.317 12.321 -2.500 1.00 30.30 ? 66 SER A OG 1 ATOM 512 N N . HIS A 1 67 ? -22.929 13.028 -7.180 1.00 26.93 ? 67 HIS A N 1 ATOM 513 C CA . HIS A 1 67 ? -22.639 12.556 -8.532 1.00 26.62 ? 67 HIS A CA 1 ATOM 514 C C . HIS A 1 67 ? -21.906 13.598 -9.345 1.00 23.83 ? 67 HIS A C 1 ATOM 515 O O . HIS A 1 67 ? -22.095 14.853 -9.146 1.00 22.92 ? 67 HIS A O 1 ATOM 516 C CB . HIS A 1 67 ? -23.915 12.086 -9.240 1.00 27.76 ? 67 HIS A CB 1 ATOM 517 C CG . HIS A 1 67 ? -24.522 10.869 -8.615 1.00 31.91 ? 67 HIS A CG 1 ATOM 518 N ND1 . HIS A 1 67 ? -25.460 10.943 -7.605 1.00 34.23 ? 67 HIS A ND1 1 ATOM 519 C CD2 . HIS A 1 67 ? -24.290 9.546 -8.817 1.00 36.63 ? 67 HIS A CD2 1 ATOM 520 C CE1 . HIS A 1 67 ? -25.794 9.721 -7.225 1.00 37.39 ? 67 HIS A CE1 1 ATOM 521 N NE2 . HIS A 1 67 ? -25.099 8.854 -7.944 1.00 38.24 ? 67 HIS A NE2 1 ATOM 522 N N . ASN A 1 68 ? -21.038 13.099 -10.222 1.00 22.97 ? 68 ASN A N 1 ATOM 523 C CA . ASN A 1 68 ? -20.174 13.928 -11.072 1.00 21.58 ? 68 ASN A CA 1 ATOM 524 C C . ASN A 1 68 ? -20.978 14.940 -11.859 1.00 20.71 ? 68 ASN A C 1 ATOM 525 O O . ASN A 1 68 ? -21.990 14.617 -12.484 1.00 21.19 ? 68 ASN A O 1 ATOM 526 C CB . ASN A 1 68 ? -19.412 13.040 -12.059 1.00 23.77 ? 68 ASN A CB 1 ATOM 527 C CG . ASN A 1 68 ? -18.274 12.282 -11.422 1.00 24.50 ? 68 ASN A CG 1 ATOM 528 O OD1 . ASN A 1 68 ? -17.774 12.666 -10.365 1.00 24.42 ? 68 ASN A OD1 1 ATOM 529 N ND2 . ASN A 1 68 ? -17.864 11.158 -12.058 1.00 27.60 ? 68 ASN A ND2 1 ATOM 530 N N . LEU A 1 69 ? -20.558 16.209 -11.816 1.00 19.65 ? 69 LEU A N 1 ATOM 531 C CA . LEU A 1 69 ? -21.183 17.184 -12.672 1.00 20.19 ? 69 LEU A CA 1 ATOM 532 C C . LEU A 1 69 ? -20.114 18.201 -13.125 1.00 18.89 ? 69 LEU A C 1 ATOM 533 O O . LEU A 1 69 ? -18.990 18.244 -12.554 1.00 17.35 ? 69 LEU A O 1 ATOM 534 C CB . LEU A 1 69 ? -22.342 17.888 -11.941 1.00 21.47 ? 69 LEU A CB 1 ATOM 535 C CG . LEU A 1 69 ? -22.150 18.411 -10.524 1.00 20.84 ? 69 LEU A CG 1 ATOM 536 C CD1 . LEU A 1 69 ? -21.398 19.716 -10.647 1.00 21.63 ? 69 LEU A CD1 1 ATOM 537 C CD2 . LEU A 1 69 ? -23.458 18.686 -9.768 1.00 19.54 ? 69 LEU A CD2 1 ATOM 538 N N . ASN A 1 70 ? -20.454 18.984 -14.143 1.00 18.53 ? 70 ASN A N 1 ATOM 539 C CA . ASN A 1 70 ? -19.625 20.148 -14.488 1.00 17.32 ? 70 ASN A CA 1 ATOM 540 C C . ASN A 1 70 ? -20.295 21.409 -14.033 1.00 16.56 ? 70 ASN A C 1 ATOM 541 O O . ASN A 1 70 ? -21.527 21.489 -13.841 1.00 17.01 ? 70 ASN A O 1 ATOM 542 C CB . ASN A 1 70 ? -19.378 20.287 -16.008 1.00 18.12 ? 70 ASN A CB 1 ATOM 543 C CG . ASN A 1 70 ? -18.563 19.109 -16.624 1.00 21.02 ? 70 ASN A CG 1 ATOM 544 O OD1 . ASN A 1 70 ? -18.609 18.893 -17.842 1.00 20.77 ? 70 ASN A OD1 1 ATOM 545 N ND2 . ASN A 1 70 ? -17.783 18.408 -15.800 1.00 25.86 ? 70 ASN A ND2 1 ATOM 546 N N . ILE A 1 71 ? -19.457 22.404 -13.852 1.00 15.07 ? 71 ILE A N 1 ATOM 547 C CA . ILE A 1 71 ? -19.932 23.730 -13.472 1.00 13.84 ? 71 ILE A CA 1 ATOM 548 C C . ILE A 1 71 ? -19.419 24.691 -14.512 1.00 14.86 ? 71 ILE A C 1 ATOM 549 O O . ILE A 1 71 ? -18.234 24.588 -14.934 1.00 14.58 ? 71 ILE A O 1 ATOM 550 C CB . ILE A 1 71 ? -19.340 24.094 -12.087 1.00 14.22 ? 71 ILE A CB 1 ATOM 551 C CG1 . ILE A 1 71 ? -19.764 23.087 -10.980 1.00 13.36 ? 71 ILE A CG1 1 ATOM 552 C CG2 . ILE A 1 71 ? -19.705 25.477 -11.711 1.00 10.31 ? 71 ILE A CG2 1 ATOM 553 C CD1 . ILE A 1 71 ? -19.003 23.278 -9.625 1.00 15.66 ? 71 ILE A CD1 1 ATOM 554 N N . HIS A 1 72 ? -20.253 25.666 -14.916 1.00 14.40 ? 72 HIS A N 1 ATOM 555 C CA . HIS A 1 72 ? -19.689 26.737 -15.732 1.00 16.25 ? 72 HIS A CA 1 ATOM 556 C C . HIS A 1 72 ? -20.305 28.035 -15.371 1.00 15.31 ? 72 HIS A C 1 ATOM 557 O O . HIS A 1 72 ? -21.490 28.082 -14.962 1.00 17.08 ? 72 HIS A O 1 ATOM 558 C CB . HIS A 1 72 ? -19.792 26.442 -17.240 1.00 16.32 ? 72 HIS A CB 1 ATOM 559 C CG . HIS A 1 72 ? -21.183 26.506 -17.819 1.00 17.81 ? 72 HIS A CG 1 ATOM 560 N ND1 . HIS A 1 72 ? -21.984 25.393 -17.950 1.00 16.93 ? 72 HIS A ND1 1 ATOM 561 C CD2 . HIS A 1 72 ? -21.858 27.522 -18.410 1.00 18.21 ? 72 HIS A CD2 1 ATOM 562 C CE1 . HIS A 1 72 ? -23.101 25.722 -18.580 1.00 20.75 ? 72 HIS A CE1 1 ATOM 563 N NE2 . HIS A 1 72 ? -23.049 27.014 -18.876 1.00 18.78 ? 72 HIS A NE2 1 ATOM 564 N N . THR A 1 73 ? -19.531 29.101 -15.518 1.00 17.66 ? 73 THR A N 1 ATOM 565 C CA . THR A 1 73 ? -20.063 30.442 -15.324 1.00 18.27 ? 73 THR A CA 1 ATOM 566 C C . THR A 1 73 ? -21.093 30.844 -16.415 1.00 21.21 ? 73 THR A C 1 ATOM 567 O O . THR A 1 73 ? -20.913 30.561 -17.594 1.00 21.75 ? 73 THR A O 1 ATOM 568 C CB . THR A 1 73 ? -18.903 31.424 -15.215 1.00 17.77 ? 73 THR A CB 1 ATOM 569 O OG1 . THR A 1 73 ? -18.179 31.136 -14.001 1.00 15.20 ? 73 THR A OG1 1 ATOM 570 C CG2 . THR A 1 73 ? -19.359 32.952 -15.242 1.00 19.60 ? 73 THR A CG2 1 HETATM 571 N N . CSX A 1 74 ? -22.162 31.500 -15.960 1.00 22.88 ? 74 CSX A N 1 HETATM 572 C CA . CSX A 1 74 ? -23.236 32.051 -16.816 1.00 23.66 ? 74 CSX A CA 1 HETATM 573 C CB . CSX A 1 74 ? -24.611 31.759 -16.173 1.00 26.32 ? 74 CSX A CB 1 HETATM 574 S SG . CSX A 1 74 ? -25.951 32.128 -17.215 1.00 35.47 ? 74 CSX A SG 1 HETATM 575 C C . CSX A 1 74 ? -22.994 33.544 -16.951 1.00 23.77 ? 74 CSX A C 1 HETATM 576 O O . CSX A 1 74 ? -23.247 34.334 -16.031 1.00 22.46 ? 74 CSX A O 1 HETATM 577 O OD . CSX A 1 74 ? -25.844 31.642 -18.620 1.00 39.63 ? 74 CSX A OD 1 ATOM 578 N N . SER A 1 75 ? -22.475 33.941 -18.108 1.00 22.90 ? 75 SER A N 1 ATOM 579 C CA . SER A 1 75 ? -22.151 35.333 -18.362 1.00 24.01 ? 75 SER A CA 1 ATOM 580 C C . SER A 1 75 ? -22.076 35.519 -19.876 1.00 25.23 ? 75 SER A C 1 ATOM 581 O O . SER A 1 75 ? -21.434 34.721 -20.565 1.00 25.31 ? 75 SER A O 1 ATOM 582 C CB . SER A 1 75 ? -20.797 35.688 -17.750 1.00 22.28 ? 75 SER A CB 1 ATOM 583 O OG . SER A 1 75 ? -20.473 37.057 -18.015 1.00 26.48 ? 75 SER A OG 1 ATOM 584 N N . ASP A 1 76 ? -22.678 36.594 -20.376 1.00 26.00 ? 76 ASP A N 1 ATOM 585 C CA . ASP A 1 76 ? -22.559 36.956 -21.790 1.00 26.98 ? 76 ASP A CA 1 ATOM 586 C C . ASP A 1 76 ? -21.257 37.685 -22.084 1.00 26.56 ? 76 ASP A C 1 ATOM 587 O O . ASP A 1 76 ? -20.795 37.659 -23.226 1.00 25.16 ? 76 ASP A O 1 ATOM 588 C CB . ASP A 1 76 ? -23.720 37.833 -22.236 1.00 29.11 ? 76 ASP A CB 1 ATOM 589 C CG . ASP A 1 76 ? -25.055 37.075 -22.278 1.00 31.48 ? 76 ASP A CG 1 ATOM 590 O OD1 . ASP A 1 76 ? -25.061 35.832 -22.211 1.00 34.86 ? 76 ASP A OD1 1 ATOM 591 O OD2 . ASP A 1 76 ? -26.099 37.732 -22.414 1.00 35.20 ? 76 ASP A OD2 1 ATOM 592 N N . LEU A 1 77 ? -20.709 38.374 -21.073 1.00 25.67 ? 77 LEU A N 1 ATOM 593 C CA . LEU A 1 77 ? -19.356 38.947 -21.153 1.00 25.50 ? 77 LEU A CA 1 ATOM 594 C C . LEU A 1 77 ? -18.346 37.872 -20.797 1.00 23.46 ? 77 LEU A C 1 ATOM 595 O O . LEU A 1 77 ? -18.570 37.063 -19.894 1.00 21.83 ? 77 LEU A O 1 ATOM 596 C CB . LEU A 1 77 ? -19.179 40.100 -20.173 1.00 25.95 ? 77 LEU A CB 1 ATOM 597 C CG . LEU A 1 77 ? -19.909 41.391 -20.499 1.00 28.61 ? 77 LEU A CG 1 ATOM 598 C CD1 . LEU A 1 77 ? -19.883 42.365 -19.310 1.00 31.78 ? 77 LEU A CD1 1 ATOM 599 C CD2 . LEU A 1 77 ? -19.339 42.027 -21.777 1.00 27.58 ? 77 LEU A CD2 1 ATOM 600 N N . TRP A 1 78 ? -17.203 37.905 -21.461 1.00 22.43 ? 78 TRP A N 1 ATOM 601 C CA . TRP A 1 78 ? -16.147 36.962 -21.114 1.00 21.47 ? 78 TRP A CA 1 ATOM 602 C C . TRP A 1 78 ? -14.847 37.484 -21.683 1.00 21.55 ? 78 TRP A C 1 ATOM 603 O O . TRP A 1 78 ? -14.758 37.748 -22.883 1.00 22.30 ? 78 TRP A O 1 ATOM 604 C CB . TRP A 1 78 ? -16.462 35.565 -21.656 1.00 20.34 ? 78 TRP A CB 1 ATOM 605 C CG . TRP A 1 78 ? -15.617 34.537 -21.021 1.00 21.15 ? 78 TRP A CG 1 ATOM 606 C CD1 . TRP A 1 78 ? -14.596 33.815 -21.597 1.00 20.29 ? 78 TRP A CD1 1 ATOM 607 C CD2 . TRP A 1 78 ? -15.673 34.139 -19.638 1.00 21.15 ? 78 TRP A CD2 1 ATOM 608 N NE1 . TRP A 1 78 ? -14.006 33.008 -20.644 1.00 17.70 ? 78 TRP A NE1 1 ATOM 609 C CE2 . TRP A 1 78 ? -14.649 33.183 -19.436 1.00 18.54 ? 78 TRP A CE2 1 ATOM 610 C CE3 . TRP A 1 78 ? -16.487 34.518 -18.544 1.00 20.08 ? 78 TRP A CE3 1 ATOM 611 C CZ2 . TRP A 1 78 ? -14.416 32.571 -18.168 1.00 19.03 ? 78 TRP A CZ2 1 ATOM 612 C CZ3 . TRP A 1 78 ? -16.264 33.909 -17.278 1.00 16.57 ? 78 TRP A CZ3 1 ATOM 613 C CH2 . TRP A 1 78 ? -15.245 32.922 -17.116 1.00 19.62 ? 78 TRP A CH2 1 ATOM 614 N N . PHE A 1 79 ? -13.859 37.673 -20.817 1.00 22.02 ? 79 PHE A N 1 ATOM 615 C CA . PHE A 1 79 ? -12.660 38.409 -21.194 1.00 23.18 ? 79 PHE A CA 1 ATOM 616 C C . PHE A 1 79 ? -11.428 37.494 -21.374 1.00 22.87 ? 79 PHE A C 1 ATOM 617 O O . PHE A 1 79 ? -10.330 37.978 -21.577 1.00 23.87 ? 79 PHE A O 1 ATOM 618 C CB . PHE A 1 79 ? -12.385 39.540 -20.178 1.00 24.49 ? 79 PHE A CB 1 ATOM 619 C CG . PHE A 1 79 ? -13.472 40.603 -20.129 1.00 25.53 ? 79 PHE A CG 1 ATOM 620 C CD1 . PHE A 1 79 ? -13.456 41.664 -21.020 1.00 26.44 ? 79 PHE A CD1 1 ATOM 621 C CD2 . PHE A 1 79 ? -14.496 40.529 -19.210 1.00 25.45 ? 79 PHE A CD2 1 ATOM 622 C CE1 . PHE A 1 79 ? -14.458 42.664 -20.995 1.00 26.94 ? 79 PHE A CE1 1 ATOM 623 C CE2 . PHE A 1 79 ? -15.508 41.504 -19.176 1.00 23.98 ? 79 PHE A CE2 1 ATOM 624 C CZ . PHE A 1 79 ? -15.481 42.580 -20.070 1.00 25.75 ? 79 PHE A CZ 1 ATOM 625 N N . CYS A 1 80 ? -11.605 36.175 -21.281 1.00 22.05 ? 80 CYS A N 1 ATOM 626 C CA . CYS A 1 80 ? -10.507 35.204 -21.504 1.00 22.14 ? 80 CYS A CA 1 ATOM 627 C C . CYS A 1 80 ? -10.724 34.469 -22.838 1.00 20.49 ? 80 CYS A C 1 ATOM 628 O O . CYS A 1 80 ? -11.858 34.278 -23.235 1.00 20.60 ? 80 CYS A O 1 ATOM 629 C CB . CYS A 1 80 ? -10.536 34.130 -20.381 1.00 21.09 ? 80 CYS A CB 1 ATOM 630 S SG . CYS A 1 80 ? -10.112 34.918 -18.797 1.00 30.13 ? 80 CYS A SG 1 ATOM 631 N N . PRO A 1 81 ? -9.649 34.047 -23.527 1.00 19.87 ? 81 PRO A N 1 ATOM 632 C CA . PRO A 1 81 ? -9.864 33.174 -24.705 1.00 19.05 ? 81 PRO A CA 1 ATOM 633 C C . PRO A 1 81 ? -10.324 31.769 -24.272 1.00 18.12 ? 81 PRO A C 1 ATOM 634 O O . PRO A 1 81 ? -10.960 31.063 -25.056 1.00 17.62 ? 81 PRO A O 1 ATOM 635 C CB . PRO A 1 81 ? -8.479 33.060 -25.343 1.00 20.26 ? 81 PRO A CB 1 ATOM 636 C CG . PRO A 1 81 ? -7.525 33.876 -24.495 1.00 22.07 ? 81 PRO A CG 1 ATOM 637 C CD . PRO A 1 81 ? -8.230 34.409 -23.301 1.00 18.67 ? 81 PRO A CD 1 ATOM 638 N N . GLU A 1 82 ? -9.996 31.383 -23.037 1.00 17.09 ? 82 GLU A N 1 ATOM 639 C CA . GLU A 1 82 ? -10.339 30.058 -22.532 1.00 16.72 ? 82 GLU A CA 1 ATOM 640 C C . GLU A 1 82 ? -11.840 29.991 -22.150 1.00 16.78 ? 82 GLU A C 1 ATOM 641 O O . GLU A 1 82 ? -12.539 31.006 -22.084 1.00 18.05 ? 82 GLU A O 1 ATOM 642 C CB . GLU A 1 82 ? -9.446 29.657 -21.326 1.00 16.10 ? 82 GLU A CB 1 ATOM 643 C CG . GLU A 1 82 ? -7.936 29.588 -21.664 1.00 17.86 ? 82 GLU A CG 1 ATOM 644 C CD . GLU A 1 82 ? -7.222 30.916 -21.422 1.00 20.51 ? 82 GLU A CD 1 ATOM 645 O OE1 . GLU A 1 82 ? -7.901 31.949 -21.327 1.00 19.87 ? 82 GLU A OE1 1 ATOM 646 O OE2 . GLU A 1 82 ? -5.984 30.927 -21.362 1.00 25.26 ? 82 GLU A OE2 1 ATOM 647 N N . SER A 1 83 ? -12.345 28.797 -21.880 1.00 16.83 ? 83 SER A N 1 ATOM 648 C CA . SER A 1 83 ? -13.755 28.624 -21.566 1.00 15.89 ? 83 SER A CA 1 ATOM 649 C C . SER A 1 83 ? -14.217 29.142 -20.188 1.00 14.72 ? 83 SER A C 1 ATOM 650 O O . SER A 1 83 ? -13.434 29.547 -19.313 1.00 14.42 ? 83 SER A O 1 ATOM 651 C CB . SER A 1 83 ? -14.046 27.136 -21.561 1.00 16.12 ? 83 SER A CB 1 ATOM 652 O OG . SER A 1 83 ? -13.562 26.605 -20.331 1.00 18.61 ? 83 SER A OG 1 ATOM 653 N N . LYS A 1 84 ? -15.516 29.035 -19.990 1.00 14.02 ? 84 LYS A N 1 ATOM 654 C CA . LYS A 1 84 ? -16.184 29.342 -18.714 1.00 15.23 ? 84 LYS A CA 1 ATOM 655 C C . LYS A 1 84 ? -16.308 28.188 -17.751 1.00 14.97 ? 84 LYS A C 1 ATOM 656 O O . LYS A 1 84 ? -16.948 28.310 -16.657 1.00 14.78 ? 84 LYS A O 1 ATOM 657 C CB . LYS A 1 84 ? -17.615 29.849 -19.039 1.00 16.10 ? 84 LYS A CB 1 ATOM 658 C CG . LYS A 1 84 ? -17.626 31.142 -19.883 1.00 19.27 ? 84 LYS A CG 1 ATOM 659 C CD . LYS A 1 84 ? -19.012 31.584 -20.192 1.00 19.94 ? 84 LYS A CD 1 ATOM 660 C CE . LYS A 1 84 ? -18.978 32.704 -21.194 1.00 22.54 ? 84 LYS A CE 1 ATOM 661 N NZ . LYS A 1 84 ? -20.285 32.625 -21.892 1.00 23.22 ? 84 LYS A NZ 1 ATOM 662 N N . ILE A 1 85 ? -15.796 27.035 -18.169 1.00 15.29 ? 85 ILE A N 1 ATOM 663 C CA . ILE A 1 85 ? -16.008 25.821 -17.457 1.00 16.31 ? 85 ILE A CA 1 ATOM 664 C C . ILE A 1 85 ? -15.017 25.691 -16.287 1.00 15.08 ? 85 ILE A C 1 ATOM 665 O O . ILE A 1 85 ? -13.824 25.908 -16.453 1.00 14.94 ? 85 ILE A O 1 ATOM 666 C CB . ILE A 1 85 ? -15.901 24.670 -18.421 1.00 16.48 ? 85 ILE A CB 1 ATOM 667 C CG1 . ILE A 1 85 ? -16.947 24.897 -19.544 1.00 16.40 ? 85 ILE A CG1 1 ATOM 668 C CG2 . ILE A 1 85 ? -16.079 23.275 -17.749 1.00 17.96 ? 85 ILE A CG2 1 ATOM 669 C CD1 . ILE A 1 85 ? -16.605 24.111 -20.792 1.00 20.64 ? 85 ILE A CD1 1 ATOM 670 N N . TRP A 1 86 ? -15.533 25.293 -15.116 1.00 13.43 ? 86 TRP A N 1 ATOM 671 C CA . TRP A 1 86 ? -14.644 25.178 -13.929 1.00 13.33 ? 86 TRP A CA 1 ATOM 672 C C . TRP A 1 86 ? -13.807 23.988 -13.919 1.00 15.33 ? 86 TRP A C 1 ATOM 673 O O . TRP A 1 86 ? -14.213 22.951 -14.414 1.00 14.89 ? 86 TRP A O 1 ATOM 674 C CB . TRP A 1 86 ? -15.467 25.118 -12.662 1.00 13.24 ? 86 TRP A CB 1 ATOM 675 C CG . TRP A 1 86 ? -16.085 26.519 -12.360 1.00 12.06 ? 86 TRP A CG 1 ATOM 676 C CD1 . TRP A 1 86 ? -16.440 27.464 -13.273 1.00 17.10 ? 86 TRP A CD1 1 ATOM 677 C CD2 . TRP A 1 86 ? -16.609 26.988 -11.096 1.00 16.92 ? 86 TRP A CD2 1 ATOM 678 N NE1 . TRP A 1 86 ? -17.004 28.562 -12.657 1.00 19.80 ? 86 TRP A NE1 1 ATOM 679 C CE2 . TRP A 1 86 ? -17.140 28.290 -11.320 1.00 16.59 ? 86 TRP A CE2 1 ATOM 680 C CE3 . TRP A 1 86 ? -16.587 26.494 -9.794 1.00 16.25 ? 86 TRP A CE3 1 ATOM 681 C CZ2 . TRP A 1 86 ? -17.678 29.091 -10.273 1.00 17.49 ? 86 TRP A CZ2 1 ATOM 682 C CZ3 . TRP A 1 86 ? -17.135 27.285 -8.769 1.00 15.36 ? 86 TRP A CZ3 1 ATOM 683 C CH2 . TRP A 1 86 ? -17.681 28.561 -9.022 1.00 19.59 ? 86 TRP A CH2 1 ATOM 684 N N . THR A 1 87 ? -12.644 24.111 -13.296 1.00 15.62 ? 87 THR A N 1 ATOM 685 C CA . THR A 1 87 ? -11.758 22.972 -13.202 1.00 14.66 ? 87 THR A CA 1 ATOM 686 C C . THR A 1 87 ? -10.855 23.293 -11.999 1.00 14.78 ? 87 THR A C 1 ATOM 687 O O . THR A 1 87 ? -11.095 24.288 -11.275 1.00 13.77 ? 87 THR A O 1 ATOM 688 C CB . THR A 1 87 ? -10.963 22.815 -14.543 1.00 16.73 ? 87 THR A CB 1 ATOM 689 O OG1 . THR A 1 87 ? -10.105 21.684 -14.490 1.00 18.61 ? 87 THR A OG1 1 ATOM 690 C CG2 . THR A 1 87 ? -10.104 24.057 -14.823 1.00 11.40 ? 87 THR A CG2 1 ATOM 691 N N . VAL A 1 88 ? -9.821 22.493 -11.836 1.00 13.49 ? 88 VAL A N 1 ATOM 692 C CA . VAL A 1 88 ? -8.815 22.649 -10.767 1.00 16.10 ? 88 VAL A CA 1 ATOM 693 C C . VAL A 1 88 ? -7.446 22.579 -11.451 1.00 16.78 ? 88 VAL A C 1 ATOM 694 O O . VAL A 1 88 ? -7.234 21.781 -12.369 1.00 17.14 ? 88 VAL A O 1 ATOM 695 C CB . VAL A 1 88 ? -9.049 21.537 -9.666 1.00 15.39 ? 88 VAL A CB 1 ATOM 696 C CG1 . VAL A 1 88 ? -7.801 21.303 -8.822 1.00 16.63 ? 88 VAL A CG1 1 ATOM 697 C CG2 . VAL A 1 88 ? -10.248 21.994 -8.761 1.00 14.90 ? 88 VAL A CG2 1 ATOM 698 N N . LYS A 1 89 ? -6.534 23.445 -11.059 1.00 17.46 ? 89 LYS A N 1 ATOM 699 C CA . LYS A 1 89 ? -5.189 23.463 -11.625 1.00 19.25 ? 89 LYS A CA 1 ATOM 700 C C . LYS A 1 89 ? -4.256 23.536 -10.416 1.00 20.60 ? 89 LYS A C 1 ATOM 701 O O . LYS A 1 89 ? -4.660 24.033 -9.370 1.00 19.84 ? 89 LYS A O 1 ATOM 702 C CB . LYS A 1 89 ? -5.009 24.752 -12.445 1.00 19.09 ? 89 LYS A CB 1 ATOM 703 C CG . LYS A 1 89 ? -5.681 24.687 -13.842 1.00 21.82 ? 89 LYS A CG 1 ATOM 704 C CD . LYS A 1 89 ? -5.424 25.945 -14.686 1.00 26.99 ? 89 LYS A CD 1 ATOM 705 C CE . LYS A 1 89 ? -6.178 25.932 -16.041 1.00 27.07 ? 89 LYS A CE 1 ATOM 706 N NZ . LYS A 1 89 ? -5.988 27.216 -16.800 1.00 28.82 ? 89 LYS A NZ 1 ATOM 707 N N . SER A 1 90 ? -3.026 23.054 -10.567 1.00 23.02 ? 90 SER A N 1 ATOM 708 C CA . SER A 1 90 ? -1.970 23.306 -9.576 1.00 24.76 ? 90 SER A CA 1 ATOM 709 C C . SER A 1 90 ? -1.310 24.643 -9.846 1.00 25.34 ? 90 SER A C 1 ATOM 710 O O . SER A 1 90 ? -1.035 24.989 -11.003 1.00 26.56 ? 90 SER A O 1 ATOM 711 C CB . SER A 1 90 ? -0.876 22.239 -9.674 1.00 26.99 ? 90 SER A CB 1 ATOM 712 O OG . SER A 1 90 ? -1.413 20.975 -9.399 1.00 31.73 ? 90 SER A OG 1 ATOM 713 N N . SER A 1 91 ? -1.010 25.373 -8.778 1.00 23.97 ? 91 SER A N 1 ATOM 714 C CA . SER A 1 91 ? -0.324 26.671 -8.879 1.00 24.36 ? 91 SER A CA 1 ATOM 715 C C . SER A 1 91 ? 0.703 26.820 -7.742 1.00 25.67 ? 91 SER A C 1 ATOM 716 O O . SER A 1 91 ? 0.346 26.974 -6.570 1.00 24.49 ? 91 SER A O 1 ATOM 717 C CB . SER A 1 91 ? -1.329 27.795 -8.823 1.00 22.81 ? 91 SER A CB 1 ATOM 718 O OG . SER A 1 91 ? -0.692 29.050 -8.729 1.00 23.05 ? 91 SER A OG 1 ATOM 719 N N . SER A 1 92 ? 1.983 26.747 -8.087 1.00 28.26 ? 92 SER A N 1 ATOM 720 C CA . SER A 1 92 ? 3.013 26.870 -7.044 1.00 30.59 ? 92 SER A CA 1 ATOM 721 C C . SER A 1 92 ? 2.982 28.287 -6.428 1.00 30.97 ? 92 SER A C 1 ATOM 722 O O . SER A 1 92 ? 3.253 28.459 -5.249 1.00 33.08 ? 92 SER A O 1 ATOM 723 C CB . SER A 1 92 ? 4.397 26.494 -7.577 1.00 32.13 ? 92 SER A CB 1 ATOM 724 O OG . SER A 1 92 ? 4.738 27.348 -8.661 1.00 33.95 ? 92 SER A OG 1 ATOM 725 N N . ILE A 1 93 ? 2.588 29.286 -7.198 1.00 30.25 ? 93 ILE A N 1 ATOM 726 C CA . ILE A 1 93 ? 2.391 30.632 -6.624 1.00 31.82 ? 93 ILE A CA 1 ATOM 727 C C . ILE A 1 93 ? 1.138 30.773 -5.719 1.00 31.09 ? 93 ILE A C 1 ATOM 728 O O . ILE A 1 93 ? 0.841 31.878 -5.209 1.00 31.94 ? 93 ILE A O 1 ATOM 729 C CB . ILE A 1 93 ? 2.264 31.703 -7.735 1.00 31.67 ? 93 ILE A CB 1 ATOM 730 C CG1 . ILE A 1 93 ? 1.261 31.268 -8.795 1.00 32.07 ? 93 ILE A CG1 1 ATOM 731 C CG2 . ILE A 1 93 ? 3.668 32.049 -8.339 1.00 34.09 ? 93 ILE A CG2 1 ATOM 732 C CD1 . ILE A 1 93 ? 0.564 32.444 -9.528 1.00 36.27 ? 93 ILE A CD1 1 ATOM 733 N N . HIS A 1 94 ? 0.376 29.688 -5.567 1.00 27.67 ? 94 HIS A N 1 ATOM 734 C CA . HIS A 1 94 ? -0.734 29.663 -4.614 1.00 26.23 ? 94 HIS A CA 1 ATOM 735 C C . HIS A 1 94 ? -0.587 28.497 -3.673 1.00 26.16 ? 94 HIS A C 1 ATOM 736 O O . HIS A 1 94 ? -1.532 28.148 -2.976 1.00 25.86 ? 94 HIS A O 1 ATOM 737 C CB . HIS A 1 94 ? -2.082 29.623 -5.357 1.00 24.35 ? 94 HIS A CB 1 ATOM 738 C CG . HIS A 1 94 ? -2.375 30.894 -6.078 1.00 21.54 ? 94 HIS A CG 1 ATOM 739 N ND1 . HIS A 1 94 ? -1.919 31.139 -7.355 1.00 22.55 ? 94 HIS A ND1 1 ATOM 740 C CD2 . HIS A 1 94 ? -3.019 32.012 -5.684 1.00 24.42 ? 94 HIS A CD2 1 ATOM 741 C CE1 . HIS A 1 94 ? -2.268 32.364 -7.719 1.00 24.94 ? 94 HIS A CE1 1 ATOM 742 N NE2 . HIS A 1 94 ? -2.946 32.911 -6.727 1.00 24.93 ? 94 HIS A NE2 1 ATOM 743 N N . ARG A 1 95 ? 0.639 27.947 -3.639 1.00 26.72 ? 95 ARG A N 1 ATOM 744 C CA . ARG A 1 95 ? 0.998 26.726 -2.932 1.00 26.99 ? 95 ARG A CA 1 ATOM 745 C C . ARG A 1 95 ? -0.006 25.636 -3.019 1.00 25.91 ? 95 ARG A C 1 ATOM 746 O O . ARG A 1 95 ? -0.414 25.095 -1.996 1.00 27.09 ? 95 ARG A O 1 ATOM 747 C CB . ARG A 1 95 ? 1.288 26.971 -1.449 1.00 28.63 ? 95 ARG A CB 1 ATOM 748 C CG . ARG A 1 95 ? 2.670 27.303 -1.199 1.00 28.12 ? 95 ARG A CG 1 ATOM 749 C CD . ARG A 1 95 ? 2.956 27.198 0.288 1.00 24.89 ? 95 ARG A CD 1 ATOM 750 N NE . ARG A 1 95 ? 3.821 26.066 0.551 1.00 25.58 ? 95 ARG A NE 1 ATOM 751 C CZ . ARG A 1 95 ? 4.276 25.767 1.755 1.00 25.01 ? 95 ARG A CZ 1 ATOM 752 N NH1 . ARG A 1 95 ? 3.889 26.495 2.808 1.00 25.04 ? 95 ARG A NH1 1 ATOM 753 N NH2 . ARG A 1 95 ? 5.096 24.733 1.907 1.00 21.35 ? 95 ARG A NH2 1 ATOM 754 N N . GLY A 1 96 ? -0.445 25.318 -4.230 1.00 24.26 ? 96 GLY A N 1 ATOM 755 C CA . GLY A 1 96 ? -1.211 24.090 -4.378 1.00 22.75 ? 96 GLY A CA 1 ATOM 756 C C . GLY A 1 96 ? -2.401 24.253 -5.306 1.00 20.28 ? 96 GLY A C 1 ATOM 757 O O . GLY A 1 96 ? -2.405 25.121 -6.161 1.00 18.71 ? 96 GLY A O 1 ATOM 758 N N . LEU A 1 97 ? -3.385 23.384 -5.133 1.00 19.41 ? 97 LEU A N 1 ATOM 759 C CA . LEU A 1 97 ? -4.576 23.365 -6.011 1.00 19.10 ? 97 LEU A CA 1 ATOM 760 C C . LEU A 1 97 ? -5.461 24.579 -5.837 1.00 18.53 ? 97 LEU A C 1 ATOM 761 O O . LEU A 1 97 ? -5.631 25.089 -4.717 1.00 18.66 ? 97 LEU A O 1 ATOM 762 C CB . LEU A 1 97 ? -5.382 22.077 -5.753 1.00 18.47 ? 97 LEU A CB 1 ATOM 763 C CG . LEU A 1 97 ? -4.561 20.818 -5.954 1.00 22.67 ? 97 LEU A CG 1 ATOM 764 C CD1 . LEU A 1 97 ? -5.392 19.704 -5.442 1.00 20.26 ? 97 LEU A CD1 1 ATOM 765 C CD2 . LEU A 1 97 ? -4.183 20.620 -7.442 1.00 25.34 ? 97 LEU A CD2 1 ATOM 766 N N . VAL A 1 98 ? -6.030 25.059 -6.953 1.00 17.63 ? 98 VAL A N 1 ATOM 767 C CA . VAL A 1 98 ? -6.951 26.196 -6.939 1.00 15.43 ? 98 VAL A CA 1 ATOM 768 C C . VAL A 1 98 ? -8.093 25.823 -7.896 1.00 15.70 ? 98 VAL A C 1 ATOM 769 O O . VAL A 1 98 ? -7.846 25.130 -8.893 1.00 14.72 ? 98 VAL A O 1 ATOM 770 C CB . VAL A 1 98 ? -6.236 27.509 -7.429 1.00 16.69 ? 98 VAL A CB 1 ATOM 771 C CG1 . VAL A 1 98 ? -5.134 27.941 -6.415 1.00 17.48 ? 98 VAL A CG1 1 ATOM 772 C CG2 . VAL A 1 98 ? -5.652 27.316 -8.821 1.00 17.13 ? 98 VAL A CG2 1 ATOM 773 N N . VAL A 1 99 ? -9.297 26.325 -7.614 1.00 12.59 ? 99 VAL A N 1 ATOM 774 C CA . VAL A 1 99 ? -10.359 26.337 -8.617 1.00 11.61 ? 99 VAL A CA 1 ATOM 775 C C . VAL A 1 99 ? -10.107 27.363 -9.704 1.00 11.95 ? 99 VAL A C 1 ATOM 776 O O . VAL A 1 99 ? -9.709 28.515 -9.395 1.00 13.60 ? 99 VAL A O 1 ATOM 777 C CB . VAL A 1 99 ? -11.742 26.544 -7.971 1.00 10.88 ? 99 VAL A CB 1 ATOM 778 C CG1 . VAL A 1 99 ? -12.837 26.558 -9.094 1.00 10.39 ? 99 VAL A CG1 1 ATOM 779 C CG2 . VAL A 1 99 ? -12.019 25.428 -6.894 1.00 14.28 ? 99 VAL A CG2 1 ATOM 780 N N . THR A 1 100 ? -10.354 27.008 -10.977 1.00 12.10 ? 100 THR A N 1 ATOM 781 C CA . THR A 1 100 ? -10.242 28.051 -12.051 1.00 14.57 ? 100 THR A CA 1 ATOM 782 C C . THR A 1 100 ? -11.320 27.830 -13.114 1.00 13.14 ? 100 THR A C 1 ATOM 783 O O . THR A 1 100 ? -11.958 26.783 -13.158 1.00 16.55 ? 100 THR A O 1 ATOM 784 C CB . THR A 1 100 ? -8.856 28.095 -12.806 1.00 14.08 ? 100 THR A CB 1 ATOM 785 O OG1 . THR A 1 100 ? -8.695 26.876 -13.559 1.00 19.83 ? 100 THR A OG1 1 ATOM 786 C CG2 . THR A 1 100 ? -7.696 28.168 -11.878 1.00 15.71 ? 100 THR A CG2 1 ATOM 787 N N . THR A 1 101 ? -11.457 28.813 -14.000 1.00 15.62 ? 101 THR A N 1 ATOM 788 C CA . THR A 1 101 ? -12.238 28.594 -15.210 1.00 14.64 ? 101 THR A CA 1 ATOM 789 C C . THR A 1 101 ? -11.285 28.025 -16.277 1.00 14.33 ? 101 THR A C 1 ATOM 790 O O . THR A 1 101 ? -10.148 27.673 -15.967 1.00 13.68 ? 101 THR A O 1 ATOM 791 C CB . THR A 1 101 ? -12.971 29.874 -15.644 1.00 15.14 ? 101 THR A CB 1 ATOM 792 O OG1 . THR A 1 101 ? -12.029 30.872 -16.084 1.00 16.02 ? 101 THR A OG1 1 ATOM 793 C CG2 . THR A 1 101 ? -13.839 30.375 -14.462 1.00 16.20 ? 101 THR A CG2 1 ATOM 794 N N . GLY A 1 102 ? -11.745 27.861 -17.522 1.00 13.48 ? 102 GLY A N 1 ATOM 795 C CA . GLY A 1 102 ? -10.840 27.451 -18.599 1.00 14.97 ? 102 GLY A CA 1 ATOM 796 C C . GLY A 1 102 ? -10.790 25.940 -18.726 1.00 16.92 ? 102 GLY A C 1 ATOM 797 O O . GLY A 1 102 ? -9.898 25.406 -19.376 1.00 17.74 ? 102 GLY A O 1 ATOM 798 N N . GLY A 1 103 ? -11.749 25.257 -18.127 1.00 16.45 ? 103 GLY A N 1 ATOM 799 C CA . GLY A 1 103 ? -11.794 23.785 -18.226 1.00 17.89 ? 103 GLY A CA 1 ATOM 800 C C . GLY A 1 103 ? -12.464 23.361 -19.534 1.00 20.36 ? 103 GLY A C 1 ATOM 801 O O . GLY A 1 103 ? -12.694 24.169 -20.431 1.00 19.03 ? 103 GLY A O 1 ATOM 802 N N . THR A 1 104 ? -12.765 22.082 -19.649 1.00 22.51 ? 104 THR A N 1 ATOM 803 C CA . THR A 1 104 ? -13.401 21.530 -20.865 1.00 25.32 ? 104 THR A CA 1 ATOM 804 C C . THR A 1 104 ? -14.533 20.635 -20.368 1.00 25.31 ? 104 THR A C 1 ATOM 805 O O . THR A 1 104 ? -14.334 19.873 -19.416 1.00 26.81 ? 104 THR A O 1 ATOM 806 C CB . THR A 1 104 ? -12.369 20.676 -21.695 1.00 26.00 ? 104 THR A CB 1 ATOM 807 O OG1 . THR A 1 104 ? -11.285 21.501 -22.134 1.00 29.13 ? 104 THR A OG1 1 ATOM 808 C CG2 . THR A 1 104 ? -12.993 20.054 -22.907 1.00 29.00 ? 104 THR A CG2 1 ATOM 809 N N . PHE A 1 105 ? -15.711 20.706 -21.008 1.00 25.14 ? 105 PHE A N 1 ATOM 810 C CA . PHE A 1 105 ? -16.806 19.815 -20.673 1.00 23.52 ? 105 PHE A CA 1 ATOM 811 C C . PHE A 1 105 ? -16.389 18.336 -20.666 1.00 24.70 ? 105 PHE A C 1 ATOM 812 O O . PHE A 1 105 ? -15.699 17.853 -21.586 1.00 23.75 ? 105 PHE A O 1 ATOM 813 C CB . PHE A 1 105 ? -17.972 20.013 -21.650 1.00 24.31 ? 105 PHE A CB 1 ATOM 814 C CG . PHE A 1 105 ? -18.924 21.132 -21.289 1.00 23.62 ? 105 PHE A CG 1 ATOM 815 C CD1 . PHE A 1 105 ? -19.413 21.274 -19.983 1.00 24.58 ? 105 PHE A CD1 1 ATOM 816 C CD2 . PHE A 1 105 ? -19.399 21.985 -22.286 1.00 23.28 ? 105 PHE A CD2 1 ATOM 817 C CE1 . PHE A 1 105 ? -20.321 22.290 -19.654 1.00 25.34 ? 105 PHE A CE1 1 ATOM 818 C CE2 . PHE A 1 105 ? -20.336 22.983 -21.993 1.00 23.76 ? 105 PHE A CE2 1 ATOM 819 C CZ . PHE A 1 105 ? -20.795 23.139 -20.669 1.00 23.07 ? 105 PHE A CZ 1 ATOM 820 N N . ARG A 1 106 ? -16.779 17.639 -19.594 1.00 24.35 ? 106 ARG A N 1 ATOM 821 C CA . ARG A 1 106 ? -16.654 16.188 -19.497 1.00 26.48 ? 106 ARG A CA 1 ATOM 822 C C . ARG A 1 106 ? -15.206 15.694 -19.467 1.00 27.16 ? 106 ARG A C 1 ATOM 823 O O . ARG A 1 106 ? -14.945 14.514 -19.646 1.00 29.43 ? 106 ARG A O 1 ATOM 824 C CB . ARG A 1 106 ? -17.481 15.522 -20.616 1.00 27.64 ? 106 ARG A CB 1 ATOM 825 C CG . ARG A 1 106 ? -18.966 15.941 -20.610 1.00 28.59 ? 106 ARG A CG 1 ATOM 826 C CD . ARG A 1 106 ? -19.776 15.244 -21.685 1.00 33.17 ? 106 ARG A CD 1 ATOM 827 N NE . ARG A 1 106 ? -19.955 13.821 -21.389 1.00 39.27 ? 106 ARG A NE 1 ATOM 828 C CZ . ARG A 1 106 ? -20.858 13.298 -20.546 1.00 41.78 ? 106 ARG A CZ 1 ATOM 829 N NH1 . ARG A 1 106 ? -21.699 14.063 -19.868 1.00 39.85 ? 106 ARG A NH1 1 ATOM 830 N NH2 . ARG A 1 106 ? -20.913 11.979 -20.377 1.00 42.79 ? 106 ARG A NH2 1 ATOM 831 N N . SER A 1 107 ? -14.257 16.596 -19.265 1.00 26.69 ? 107 SER A N 1 ATOM 832 C CA . SER A 1 107 ? -12.870 16.176 -19.194 1.00 27.27 ? 107 SER A CA 1 ATOM 833 C C . SER A 1 107 ? -12.524 15.572 -17.839 1.00 27.09 ? 107 SER A C 1 ATOM 834 O O . SER A 1 107 ? -13.224 15.777 -16.853 1.00 26.89 ? 107 SER A O 1 ATOM 835 C CB . SER A 1 107 ? -11.910 17.333 -19.499 1.00 25.93 ? 107 SER A CB 1 ATOM 836 O OG . SER A 1 107 ? -11.990 18.377 -18.521 1.00 27.20 ? 107 SER A OG 1 ATOM 837 N N . LEU A 1 108 ? -11.390 14.884 -17.801 1.00 27.36 ? 108 LEU A N 1 ATOM 838 C CA . LEU A 1 108 ? -10.865 14.267 -16.581 1.00 27.77 ? 108 LEU A CA 1 ATOM 839 C C . LEU A 1 108 ? -10.846 15.179 -15.370 1.00 26.43 ? 108 LEU A C 1 ATOM 840 O O . LEU A 1 108 ? -11.201 14.767 -14.272 1.00 26.14 ? 108 LEU A O 1 ATOM 841 C CB . LEU A 1 108 ? -9.465 13.723 -16.832 1.00 29.10 ? 108 LEU A CB 1 ATOM 842 C CG . LEU A 1 108 ? -9.383 12.410 -17.623 1.00 32.62 ? 108 LEU A CG 1 ATOM 843 C CD1 . LEU A 1 108 ? -7.915 11.982 -17.629 1.00 35.29 ? 108 LEU A CD1 1 ATOM 844 C CD2 . LEU A 1 108 ? -10.297 11.290 -17.084 1.00 33.98 ? 108 LEU A CD2 1 ATOM 845 N N . GLY A 1 109 ? -10.427 16.420 -15.587 1.00 24.27 ? 109 GLY A N 1 ATOM 846 C CA . GLY A 1 109 ? -10.260 17.353 -14.507 1.00 23.25 ? 109 GLY A CA 1 ATOM 847 C C . GLY A 1 109 ? -11.451 18.240 -14.172 1.00 21.84 ? 109 GLY A C 1 ATOM 848 O O . GLY A 1 109 ? -11.375 19.056 -13.255 1.00 20.84 ? 109 GLY A O 1 ATOM 849 N N . SER A 1 110 ? -12.564 18.050 -14.868 1.00 21.64 ? 110 SER A N 1 ATOM 850 C CA . SER A 1 110 ? -13.716 18.978 -14.823 1.00 20.55 ? 110 SER A CA 1 ATOM 851 C C . SER A 1 110 ? -14.813 18.584 -13.832 1.00 20.67 ? 110 SER A C 1 ATOM 852 O O . SER A 1 110 ? -15.824 19.285 -13.775 1.00 19.82 ? 110 SER A O 1 ATOM 853 C CB . SER A 1 110 ? -14.431 18.974 -16.176 1.00 21.01 ? 110 SER A CB 1 ATOM 854 O OG . SER A 1 110 ? -15.109 17.682 -16.387 1.00 24.39 ? 110 SER A OG 1 ATOM 855 N N . TRP A 1 111 ? -14.687 17.435 -13.156 1.00 19.82 ? 111 TRP A N 1 ATOM 856 C CA . TRP A 1 111 ? -15.770 16.850 -12.328 1.00 20.34 ? 111 TRP A CA 1 ATOM 857 C C . TRP A 1 111 ? -15.792 17.308 -10.885 1.00 18.92 ? 111 TRP A C 1 ATOM 858 O O . TRP A 1 111 ? -14.802 17.158 -10.168 1.00 17.73 ? 111 TRP A O 1 ATOM 859 C CB . TRP A 1 111 ? -15.714 15.326 -12.355 1.00 21.59 ? 111 TRP A CB 1 ATOM 860 C CG . TRP A 1 111 ? -15.845 14.736 -13.757 1.00 23.73 ? 111 TRP A CG 1 ATOM 861 C CD1 . TRP A 1 111 ? -14.896 14.000 -14.452 1.00 21.58 ? 111 TRP A CD1 1 ATOM 862 C CD2 . TRP A 1 111 ? -16.981 14.837 -14.623 1.00 23.69 ? 111 TRP A CD2 1 ATOM 863 N NE1 . TRP A 1 111 ? -15.386 13.657 -15.692 1.00 22.37 ? 111 TRP A NE1 1 ATOM 864 C CE2 . TRP A 1 111 ? -16.657 14.155 -15.824 1.00 24.72 ? 111 TRP A CE2 1 ATOM 865 C CE3 . TRP A 1 111 ? -18.231 15.456 -14.512 1.00 24.59 ? 111 TRP A CE3 1 ATOM 866 C CZ2 . TRP A 1 111 ? -17.545 14.073 -16.893 1.00 25.19 ? 111 TRP A CZ2 1 ATOM 867 C CZ3 . TRP A 1 111 ? -19.119 15.361 -15.565 1.00 24.11 ? 111 TRP A CZ3 1 ATOM 868 C CH2 . TRP A 1 111 ? -18.771 14.699 -16.748 1.00 24.11 ? 111 TRP A CH2 1 ATOM 869 N N . PHE A 1 112 ? -16.922 17.915 -10.498 1.00 19.58 ? 112 PHE A N 1 ATOM 870 C CA . PHE A 1 112 ? -17.190 18.326 -9.120 1.00 18.54 ? 112 PHE A CA 1 ATOM 871 C C . PHE A 1 112 ? -18.447 17.619 -8.696 1.00 19.53 ? 112 PHE A C 1 ATOM 872 O O . PHE A 1 112 ? -19.158 17.005 -9.533 1.00 20.46 ? 112 PHE A O 1 ATOM 873 C CB . PHE A 1 112 ? -17.473 19.834 -9.027 1.00 18.54 ? 112 PHE A CB 1 ATOM 874 C CG . PHE A 1 112 ? -16.313 20.731 -9.403 1.00 18.26 ? 112 PHE A CG 1 ATOM 875 C CD1 . PHE A 1 112 ? -15.568 21.380 -8.413 1.00 17.68 ? 112 PHE A CD1 1 ATOM 876 C CD2 . PHE A 1 112 ? -15.984 20.959 -10.750 1.00 16.46 ? 112 PHE A CD2 1 ATOM 877 C CE1 . PHE A 1 112 ? -14.472 22.242 -8.758 1.00 15.63 ? 112 PHE A CE1 1 ATOM 878 C CE2 . PHE A 1 112 ? -14.913 21.782 -11.098 1.00 20.35 ? 112 PHE A CE2 1 ATOM 879 C CZ . PHE A 1 112 ? -14.176 22.475 -10.099 1.00 17.90 ? 112 PHE A CZ 1 ATOM 880 N N . ARG A 1 113 ? -18.728 17.660 -7.401 1.00 18.98 ? 113 ARG A N 1 ATOM 881 C CA . ARG A 1 113 ? -19.988 17.083 -6.866 1.00 21.33 ? 113 ARG A CA 1 ATOM 882 C C . ARG A 1 113 ? -20.518 18.044 -5.801 1.00 20.39 ? 113 ARG A C 1 ATOM 883 O O . ARG A 1 113 ? -19.738 18.799 -5.169 1.00 19.46 ? 113 ARG A O 1 ATOM 884 C CB . ARG A 1 113 ? -19.829 15.649 -6.288 1.00 21.67 ? 113 ARG A CB 1 ATOM 885 C CG . ARG A 1 113 ? -19.272 14.576 -7.230 1.00 23.47 ? 113 ARG A CG 1 ATOM 886 C CD . ARG A 1 113 ? -19.090 13.219 -6.579 1.00 24.10 ? 113 ARG A CD 1 ATOM 887 N NE . ARG A 1 113 ? -18.444 12.308 -7.528 1.00 24.30 ? 113 ARG A NE 1 ATOM 888 C CZ . ARG A 1 113 ? -18.091 11.075 -7.245 1.00 28.23 ? 113 ARG A CZ 1 ATOM 889 N NH1 . ARG A 1 113 ? -18.345 10.587 -6.054 1.00 28.40 ? 113 ARG A NH1 1 ATOM 890 N NH2 . ARG A 1 113 ? -17.507 10.317 -8.172 1.00 31.14 ? 113 ARG A NH2 1 ATOM 891 N N . ILE A 1 114 ? -21.842 18.018 -5.604 1.00 21.52 ? 114 ILE A N 1 ATOM 892 C CA . ILE A 1 114 ? -22.473 18.764 -4.509 1.00 21.36 ? 114 ILE A CA 1 ATOM 893 C C . ILE A 1 114 ? -22.809 17.666 -3.474 1.00 21.94 ? 114 ILE A C 1 ATOM 894 O O . ILE A 1 114 ? -23.377 16.605 -3.821 1.00 24.45 ? 114 ILE A O 1 ATOM 895 C CB . ILE A 1 114 ? -23.757 19.495 -4.945 1.00 20.64 ? 114 ILE A CB 1 ATOM 896 C CG1 . ILE A 1 114 ? -23.454 20.532 -6.049 1.00 20.56 ? 114 ILE A CG1 1 ATOM 897 C CG2 . ILE A 1 114 ? -24.409 20.184 -3.728 1.00 18.85 ? 114 ILE A CG2 1 ATOM 898 C CD1 . ILE A 1 114 ? -24.710 21.139 -6.738 1.00 16.60 ? 114 ILE A CD1 1 ATOM 899 N N . GLU A 1 115 ? -22.399 17.894 -2.222 1.00 22.66 ? 115 GLU A N 1 ATOM 900 C CA . GLU A 1 115 ? -22.641 16.955 -1.123 1.00 23.87 ? 115 GLU A CA 1 ATOM 901 C C . GLU A 1 115 ? -23.332 17.671 0.016 1.00 23.92 ? 115 GLU A C 1 ATOM 902 O O . GLU A 1 115 ? -23.246 18.888 0.100 1.00 22.12 ? 115 GLU A O 1 ATOM 903 C CB . GLU A 1 115 ? -21.317 16.372 -0.611 1.00 24.49 ? 115 GLU A CB 1 ATOM 904 C CG A GLU A 1 115 ? -20.406 15.955 -1.788 0.50 26.06 ? 115 GLU A CG 1 ATOM 905 C CG B GLU A 1 115 ? -20.406 15.773 -1.635 0.50 23.02 ? 115 GLU A CG 1 ATOM 906 C CD A GLU A 1 115 ? -19.468 14.814 -1.479 0.50 26.57 ? 115 GLU A CD 1 ATOM 907 C CD B GLU A 1 115 ? -20.875 14.433 -2.105 0.50 17.94 ? 115 GLU A CD 1 ATOM 908 O OE1 A GLU A 1 115 ? -19.093 14.655 -0.306 0.50 29.37 ? 115 GLU A OE1 1 ATOM 909 O OE1 B GLU A 1 115 ? -20.274 13.943 -3.076 0.50 20.11 ? 115 GLU A OE1 1 ATOM 910 O OE2 A GLU A 1 115 ? -19.085 14.086 -2.423 0.50 28.89 ? 115 GLU A OE2 1 ATOM 911 O OE2 B GLU A 1 115 ? -21.832 13.868 -1.515 0.50 21.46 ? 115 GLU A OE2 1 ATOM 912 N N . ARG A 1 116 ? -24.004 16.927 0.900 1.00 25.02 ? 116 ARG A N 1 ATOM 913 C CA . ARG A 1 116 ? -24.563 17.542 2.127 1.00 26.93 ? 116 ARG A CA 1 ATOM 914 C C . ARG A 1 116 ? -23.459 17.909 3.086 1.00 26.78 ? 116 ARG A C 1 ATOM 915 O O . ARG A 1 116 ? -22.461 17.188 3.174 1.00 27.58 ? 116 ARG A O 1 ATOM 916 C CB . ARG A 1 116 ? -25.559 16.600 2.795 1.00 27.94 ? 116 ARG A CB 1 ATOM 917 C CG . ARG A 1 116 ? -26.894 16.654 2.109 1.00 30.61 ? 116 ARG A CG 1 ATOM 918 C CD . ARG A 1 116 ? -28.009 16.016 2.939 1.00 37.47 ? 116 ARG A CD 1 ATOM 919 N NE . ARG A 1 116 ? -29.131 15.609 2.073 1.00 40.12 ? 116 ARG A NE 1 ATOM 920 C CZ . ARG A 1 116 ? -30.024 16.452 1.535 1.00 42.03 ? 116 ARG A CZ 1 ATOM 921 N NH1 . ARG A 1 116 ? -29.934 17.765 1.748 1.00 40.09 ? 116 ARG A NH1 1 ATOM 922 N NH2 . ARG A 1 116 ? -31.004 15.987 0.763 1.00 43.41 ? 116 ARG A NH2 1 ATOM 923 N N . HIS A 1 117 ? -23.580 19.071 3.733 1.00 27.74 ? 117 HIS A N 1 ATOM 924 C CA . HIS A 1 117 ? -22.651 19.470 4.790 1.00 27.74 ? 117 HIS A CA 1 ATOM 925 C C . HIS A 1 117 ? -23.513 19.993 5.926 1.00 28.37 ? 117 HIS A C 1 ATOM 926 O O . HIS A 1 117 ? -23.968 21.130 5.886 1.00 27.13 ? 117 HIS A O 1 ATOM 927 C CB . HIS A 1 117 ? -21.690 20.556 4.301 1.00 27.62 ? 117 HIS A CB 1 ATOM 928 C CG . HIS A 1 117 ? -20.686 20.979 5.328 1.00 29.73 ? 117 HIS A CG 1 ATOM 929 N ND1 . HIS A 1 117 ? -19.694 20.134 5.795 1.00 32.00 ? 117 HIS A ND1 1 ATOM 930 C CD2 . HIS A 1 117 ? -20.527 22.151 5.990 1.00 31.68 ? 117 HIS A CD2 1 ATOM 931 C CE1 . HIS A 1 117 ? -18.960 20.778 6.687 1.00 33.00 ? 117 HIS A CE1 1 ATOM 932 N NE2 . HIS A 1 117 ? -19.445 22.002 6.824 1.00 32.68 ? 117 HIS A NE2 1 ATOM 933 N N . GLY A 1 118 ? -23.788 19.134 6.903 1.00 29.85 ? 118 GLY A N 1 ATOM 934 C CA . GLY A 1 118 ? -24.674 19.512 8.007 1.00 30.79 ? 118 GLY A CA 1 ATOM 935 C C . GLY A 1 118 ? -26.024 19.916 7.458 1.00 30.57 ? 118 GLY A C 1 ATOM 936 O O . GLY A 1 118 ? -26.673 19.159 6.748 1.00 31.55 ? 118 GLY A O 1 ATOM 937 N N . ASP A 1 119 ? -26.407 21.147 7.734 1.00 30.45 ? 119 ASP A N 1 ATOM 938 C CA . ASP A 1 119 ? -27.709 21.635 7.361 1.00 31.05 ? 119 ASP A CA 1 ATOM 939 C C . ASP A 1 119 ? -27.712 22.267 5.978 1.00 29.26 ? 119 ASP A C 1 ATOM 940 O O . ASP A 1 119 ? -28.781 22.670 5.458 1.00 29.36 ? 119 ASP A O 1 ATOM 941 C CB . ASP A 1 119 ? -28.175 22.671 8.381 1.00 32.79 ? 119 ASP A CB 1 ATOM 942 C CG . ASP A 1 119 ? -29.627 22.528 8.697 1.00 38.46 ? 119 ASP A CG 1 ATOM 943 O OD1 . ASP A 1 119 ? -30.226 21.490 8.296 1.00 44.05 ? 119 ASP A OD1 1 ATOM 944 O OD2 . ASP A 1 119 ? -30.172 23.445 9.362 1.00 45.74 ? 119 ASP A OD2 1 ATOM 945 N N . SER A 1 120 ? -26.533 22.370 5.368 1.00 26.65 ? 120 SER A N 1 ATOM 946 C CA . SER A 1 120 ? -26.479 22.874 4.015 1.00 24.58 ? 120 SER A CA 1 ATOM 947 C C . SER A 1 120 ? -25.625 21.971 3.108 1.00 23.43 ? 120 SER A C 1 ATOM 948 O O . SER A 1 120 ? -25.775 20.734 3.140 1.00 22.37 ? 120 SER A O 1 ATOM 949 C CB . SER A 1 120 ? -26.105 24.359 3.997 1.00 24.66 ? 120 SER A CB 1 ATOM 950 O OG . SER A 1 120 ? -24.801 24.533 4.467 1.00 26.81 ? 120 SER A OG 1 ATOM 951 N N . TYR A 1 121 ? -24.783 22.571 2.282 1.00 22.29 ? 121 TYR A N 1 ATOM 952 C CA . TYR A 1 121 ? -24.055 21.840 1.241 1.00 22.09 ? 121 TYR A CA 1 ATOM 953 C C . TYR A 1 121 ? -22.579 22.238 1.170 1.00 21.10 ? 121 TYR A C 1 ATOM 954 O O . TYR A 1 121 ? -22.157 23.205 1.781 1.00 20.87 ? 121 TYR A O 1 ATOM 955 C CB . TYR A 1 121 ? -24.706 22.114 -0.121 1.00 22.56 ? 121 TYR A CB 1 ATOM 956 C CG . TYR A 1 121 ? -26.171 21.732 -0.144 1.00 23.61 ? 121 TYR A CG 1 ATOM 957 C CD1 . TYR A 1 121 ? -26.539 20.400 -0.283 1.00 25.58 ? 121 TYR A CD1 1 ATOM 958 C CD2 . TYR A 1 121 ? -27.175 22.698 -0.013 1.00 26.58 ? 121 TYR A CD2 1 ATOM 959 C CE1 . TYR A 1 121 ? -27.880 20.014 -0.282 1.00 29.63 ? 121 TYR A CE1 1 ATOM 960 C CE2 . TYR A 1 121 ? -28.548 22.327 -0.029 1.00 28.80 ? 121 TYR A CE2 1 ATOM 961 C CZ . TYR A 1 121 ? -28.870 20.974 -0.158 1.00 33.25 ? 121 TYR A CZ 1 ATOM 962 O OH . TYR A 1 121 ? -30.176 20.531 -0.154 1.00 36.46 ? 121 TYR A OH 1 ATOM 963 N N . LYS A 1 122 ? -21.834 21.493 0.366 1.00 19.87 ? 122 LYS A N 1 ATOM 964 C CA . LYS A 1 122 ? -20.452 21.789 0.053 1.00 18.33 ? 122 LYS A CA 1 ATOM 965 C C . LYS A 1 122 ? -20.221 21.287 -1.361 1.00 17.66 ? 122 LYS A C 1 ATOM 966 O O . LYS A 1 122 ? -20.934 20.372 -1.847 1.00 19.01 ? 122 LYS A O 1 ATOM 967 C CB . LYS A 1 122 ? -19.492 21.090 1.031 1.00 16.15 ? 122 LYS A CB 1 ATOM 968 C CG . LYS A 1 122 ? -19.585 19.535 1.023 1.00 17.91 ? 122 LYS A CG 1 ATOM 969 C CD . LYS A 1 122 ? -18.450 18.925 1.847 1.00 18.51 ? 122 LYS A CD 1 ATOM 970 C CE . LYS A 1 122 ? -18.372 17.377 1.738 1.00 22.58 ? 122 LYS A CE 1 ATOM 971 N NZ . LYS A 1 122 ? -17.342 16.915 2.701 1.00 26.65 ? 122 LYS A NZ 1 ATOM 972 N N . LEU A 1 123 ? -19.236 21.887 -2.007 1.00 17.76 ? 123 LEU A N 1 ATOM 973 C CA . LEU A 1 123 ? -18.724 21.413 -3.280 1.00 17.32 ? 123 LEU A CA 1 ATOM 974 C C . LEU A 1 123 ? -17.443 20.642 -2.999 1.00 17.90 ? 123 LEU A C 1 ATOM 975 O O . LEU A 1 123 ? -16.615 21.053 -2.163 1.00 16.21 ? 123 LEU A O 1 ATOM 976 C CB . LEU A 1 123 ? -18.377 22.599 -4.212 1.00 18.49 ? 123 LEU A CB 1 ATOM 977 C CG . LEU A 1 123 ? -19.544 23.424 -4.726 1.00 19.84 ? 123 LEU A CG 1 ATOM 978 C CD1 . LEU A 1 123 ? -19.006 24.835 -5.192 1.00 18.58 ? 123 LEU A CD1 1 ATOM 979 C CD2 . LEU A 1 123 ? -20.284 22.717 -5.817 1.00 24.90 ? 123 LEU A CD2 1 ATOM 980 N N . VAL A 1 124 ? -17.283 19.517 -3.692 1.00 17.50 ? 124 VAL A N 1 ATOM 981 C CA . VAL A 1 124 ? -16.023 18.818 -3.715 1.00 18.40 ? 124 VAL A CA 1 ATOM 982 C C . VAL A 1 124 ? -15.554 18.625 -5.168 1.00 18.56 ? 124 VAL A C 1 ATOM 983 O O . VAL A 1 124 ? -16.355 18.674 -6.121 1.00 19.80 ? 124 VAL A O 1 ATOM 984 C CB . VAL A 1 124 ? -16.140 17.446 -3.080 1.00 18.71 ? 124 VAL A CB 1 ATOM 985 C CG1 . VAL A 1 124 ? -16.581 17.574 -1.614 1.00 21.44 ? 124 VAL A CG1 1 ATOM 986 C CG2 . VAL A 1 124 ? -17.160 16.642 -3.846 1.00 20.41 ? 124 VAL A CG2 1 ATOM 987 N N . HIS A 1 125 ? -14.249 18.478 -5.350 1.00 18.21 ? 125 HIS A N 1 ATOM 988 C CA . HIS A 1 125 ? -13.728 18.222 -6.682 1.00 19.25 ? 125 HIS A CA 1 ATOM 989 C C . HIS A 1 125 ? -13.218 16.772 -6.702 1.00 19.99 ? 125 HIS A C 1 ATOM 990 O O . HIS A 1 125 ? -12.622 16.335 -5.743 1.00 21.30 ? 125 HIS A O 1 ATOM 991 C CB . HIS A 1 125 ? -12.608 19.172 -7.009 1.00 18.87 ? 125 HIS A CB 1 ATOM 992 C CG . HIS A 1 125 ? -12.015 18.905 -8.353 1.00 20.34 ? 125 HIS A CG 1 ATOM 993 N ND1 . HIS A 1 125 ? -10.819 18.247 -8.507 1.00 20.54 ? 125 HIS A ND1 1 ATOM 994 C CD2 . HIS A 1 125 ? -12.484 19.143 -9.601 1.00 18.09 ? 125 HIS A CD2 1 ATOM 995 C CE1 . HIS A 1 125 ? -10.543 18.147 -9.800 1.00 22.41 ? 125 HIS A CE1 1 ATOM 996 N NE2 . HIS A 1 125 ? -11.528 18.703 -10.483 1.00 19.39 ? 125 HIS A NE2 1 ATOM 997 N N . CYS A 1 126 ? -13.412 16.058 -7.812 1.00 21.00 ? 126 CYS A N 1 ATOM 998 C CA . CYS A 1 126 ? -13.115 14.623 -7.908 1.00 22.66 ? 126 CYS A CA 1 ATOM 999 C C . CYS A 1 126 ? -12.147 14.409 -9.085 1.00 22.18 ? 126 CYS A C 1 ATOM 1000 O O . CYS A 1 126 ? -12.565 14.419 -10.230 1.00 22.21 ? 126 CYS A O 1 ATOM 1001 C CB . CYS A 1 126 ? -14.414 13.856 -8.143 1.00 23.25 ? 126 CYS A CB 1 ATOM 1002 S SG . CYS A 1 126 ? -15.633 14.240 -6.795 1.00 33.25 ? 126 CYS A SG 1 ATOM 1003 N N . PRO A 1 127 ? -10.846 14.294 -8.804 1.00 22.85 ? 127 PRO A N 1 ATOM 1004 C CA . PRO A 1 127 ? -9.882 14.116 -9.885 1.00 23.08 ? 127 PRO A CA 1 ATOM 1005 C C . PRO A 1 127 ? -10.296 12.884 -10.685 1.00 22.93 ? 127 PRO A C 1 ATOM 1006 O O . PRO A 1 127 ? -10.661 11.878 -10.081 1.00 23.06 ? 127 PRO A O 1 ATOM 1007 C CB . PRO A 1 127 ? -8.566 13.832 -9.137 1.00 23.95 ? 127 PRO A CB 1 ATOM 1008 C CG . PRO A 1 127 ? -8.703 14.501 -7.837 1.00 23.92 ? 127 PRO A CG 1 ATOM 1009 C CD . PRO A 1 127 ? -10.200 14.437 -7.487 1.00 23.96 ? 127 PRO A CD 1 ATOM 1010 N N . ARG A 1 128 ? -10.237 12.966 -12.014 1.00 22.74 ? 128 ARG A N 1 ATOM 1011 C CA . ARG A 1 128 ? -10.688 11.904 -12.955 1.00 23.54 ? 128 ARG A CA 1 ATOM 1012 C C . ARG A 1 128 ? -12.148 11.406 -12.888 1.00 23.76 ? 128 ARG A C 1 ATOM 1013 O O . ARG A 1 128 ? -12.472 10.302 -13.420 1.00 23.15 ? 128 ARG A O 1 ATOM 1014 C CB . ARG A 1 128 ? -9.777 10.682 -12.870 1.00 25.29 ? 128 ARG A CB 1 ATOM 1015 C CG . ARG A 1 128 ? -8.324 10.976 -13.173 1.00 25.55 ? 128 ARG A CG 1 ATOM 1016 C CD . ARG A 1 128 ? -7.498 9.729 -12.925 1.00 30.22 ? 128 ARG A CD 1 ATOM 1017 N NE . ARG A 1 128 ? -6.073 9.987 -13.165 1.00 32.27 ? 128 ARG A NE 1 ATOM 1018 C CZ . ARG A 1 128 ? -5.488 10.000 -14.362 1.00 32.20 ? 128 ARG A CZ 1 ATOM 1019 N NH1 . ARG A 1 128 ? -4.181 10.260 -14.434 1.00 32.13 ? 128 ARG A NH1 1 ATOM 1020 N NH2 . ARG A 1 128 ? -6.189 9.773 -15.479 1.00 30.74 ? 128 ARG A NH2 1 ATOM 1021 N N . GLY A 1 129 ? -12.989 12.159 -12.199 1.00 21.88 ? 129 GLY A N 1 ATOM 1022 C CA . GLY A 1 129 ? -14.372 11.812 -11.864 1.00 21.75 ? 129 GLY A CA 1 ATOM 1023 C C . GLY A 1 129 ? -14.550 10.663 -10.884 1.00 25.64 ? 129 GLY A C 1 ATOM 1024 O O . GLY A 1 129 ? -15.624 10.071 -10.844 1.00 25.81 ? 129 GLY A O 1 ATOM 1025 N N . SER A 1 130 ? -13.514 10.335 -10.111 1.00 25.73 ? 130 SER A N 1 ATOM 1026 C CA . SER A 1 130 ? -13.650 9.348 -9.052 1.00 26.89 ? 130 SER A CA 1 ATOM 1027 C C . SER A 1 130 ? -13.193 9.870 -7.688 1.00 27.28 ? 130 SER A C 1 ATOM 1028 O O . SER A 1 130 ? -12.466 10.864 -7.582 1.00 25.42 ? 130 SER A O 1 ATOM 1029 C CB . SER A 1 130 ? -12.901 8.033 -9.368 1.00 28.45 ? 130 SER A CB 1 ATOM 1030 O OG A SER A 1 130 ? -11.510 8.222 -9.377 0.50 27.34 ? 130 SER A OG 1 ATOM 1031 O OG B SER A 1 130 ? -12.622 7.852 -10.739 0.50 28.36 ? 130 SER A OG 1 ATOM 1032 N N . THR A 1 131 ? -13.608 9.157 -6.640 1.00 28.84 ? 131 THR A N 1 ATOM 1033 C CA . THR A 1 131 ? -13.107 9.420 -5.299 1.00 29.92 ? 131 THR A CA 1 ATOM 1034 C C . THR A 1 131 ? -11.629 8.983 -5.239 1.00 32.16 ? 131 THR A C 1 ATOM 1035 O O . THR A 1 131 ? -11.213 8.074 -5.980 1.00 34.18 ? 131 THR A O 1 ATOM 1036 C CB . THR A 1 131 ? -13.911 8.644 -4.241 1.00 30.96 ? 131 THR A CB 1 ATOM 1037 O OG1 . THR A 1 131 ? -13.926 7.261 -4.614 1.00 30.70 ? 131 THR A OG1 1 ATOM 1038 C CG2 . THR A 1 131 ? -15.336 9.173 -4.138 1.00 29.90 ? 131 THR A CG2 1 ATOM 1039 N N . PRO A 1 132 ? -10.844 9.567 -4.320 1.00 33.19 ? 132 PRO A N 1 ATOM 1040 C CA . PRO A 1 132 ? -11.251 10.551 -3.295 1.00 32.35 ? 132 PRO A CA 1 ATOM 1041 C C . PRO A 1 132 ? -11.484 11.927 -3.895 1.00 31.18 ? 132 PRO A C 1 ATOM 1042 O O . PRO A 1 132 ? -10.764 12.328 -4.804 1.00 30.68 ? 132 PRO A O 1 ATOM 1043 C CB . PRO A 1 132 ? -10.054 10.579 -2.335 1.00 33.49 ? 132 PRO A CB 1 ATOM 1044 C CG . PRO A 1 132 ? -8.886 10.151 -3.175 1.00 35.35 ? 132 PRO A CG 1 ATOM 1045 C CD . PRO A 1 132 ? -9.439 9.142 -4.151 1.00 34.03 ? 132 PRO A CD 1 ATOM 1046 N N . CYS A 1 133 ? -12.516 12.603 -3.393 1.00 30.06 ? 133 CYS A N 1 ATOM 1047 C CA . CYS A 1 133 ? -12.850 13.969 -3.780 1.00 29.28 ? 133 CYS A CA 1 ATOM 1048 C C . CYS A 1 133 ? -12.275 14.852 -2.699 1.00 27.54 ? 133 CYS A C 1 ATOM 1049 O O . CYS A 1 133 ? -12.088 14.390 -1.578 1.00 28.78 ? 133 CYS A O 1 ATOM 1050 C CB . CYS A 1 133 ? -14.371 14.125 -3.885 1.00 29.41 ? 133 CYS A CB 1 ATOM 1051 S SG . CYS A 1 133 ? -15.134 13.002 -5.180 1.00 35.31 ? 133 CYS A SG 1 ATOM 1052 N N . ARG A 1 134 ? -11.945 16.096 -3.020 1.00 25.21 ? 134 ARG A N 1 ATOM 1053 C CA . ARG A 1 134 ? -11.437 16.998 -2.014 1.00 24.98 ? 134 ARG A CA 1 ATOM 1054 C C . ARG A 1 134 ? -12.436 18.117 -1.872 1.00 22.70 ? 134 ARG A C 1 ATOM 1055 O O . ARG A 1 134 ? -13.007 18.564 -2.885 1.00 21.73 ? 134 ARG A O 1 ATOM 1056 C CB . ARG A 1 134 ? -10.085 17.594 -2.444 1.00 25.92 ? 134 ARG A CB 1 ATOM 1057 C CG . ARG A 1 134 ? -9.399 18.339 -1.305 1.00 27.70 ? 134 ARG A CG 1 ATOM 1058 C CD . ARG A 1 134 ? -7.886 18.461 -1.479 1.00 32.98 ? 134 ARG A CD 1 ATOM 1059 N NE . ARG A 1 134 ? -7.209 17.171 -1.322 1.00 38.77 ? 134 ARG A NE 1 ATOM 1060 C CZ . ARG A 1 134 ? -5.988 16.901 -1.795 1.00 41.33 ? 134 ARG A CZ 1 ATOM 1061 N NH1 . ARG A 1 134 ? -5.312 17.830 -2.463 1.00 41.97 ? 134 ARG A NH1 1 ATOM 1062 N NH2 . ARG A 1 134 ? -5.441 15.708 -1.605 1.00 42.16 ? 134 ARG A NH2 1 ATOM 1063 N N . ASP A 1 135 ? -12.641 18.580 -0.638 1.00 21.40 ? 135 ASP A N 1 ATOM 1064 C CA . ASP A 1 135 ? -13.541 19.705 -0.353 1.00 20.53 ? 135 ASP A CA 1 ATOM 1065 C C . ASP A 1 135 ? -13.035 20.990 -1.033 1.00 18.47 ? 135 ASP A C 1 ATOM 1066 O O . ASP A 1 135 ? -11.832 21.272 -1.070 1.00 18.47 ? 135 ASP A O 1 ATOM 1067 C CB . ASP A 1 135 ? -13.641 20.001 1.160 1.00 20.18 ? 135 ASP A CB 1 ATOM 1068 C CG . ASP A 1 135 ? -14.149 18.823 1.989 1.00 25.22 ? 135 ASP A CG 1 ATOM 1069 O OD1 . ASP A 1 135 ? -15.013 18.043 1.525 1.00 27.26 ? 135 ASP A OD1 1 ATOM 1070 O OD2 . ASP A 1 135 ? -13.690 18.709 3.151 1.00 26.82 ? 135 ASP A OD2 1 ATOM 1071 N N . VAL A 1 136 ? -13.962 21.770 -1.546 1.00 16.40 ? 136 VAL A N 1 ATOM 1072 C CA . VAL A 1 136 ? -13.639 23.125 -1.973 1.00 15.66 ? 136 VAL A CA 1 ATOM 1073 C C . VAL A 1 136 ? -13.892 24.095 -0.803 1.00 16.94 ? 136 VAL A C 1 ATOM 1074 O O . VAL A 1 136 ? -14.994 24.083 -0.185 1.00 16.58 ? 136 VAL A O 1 ATOM 1075 C CB . VAL A 1 136 ? -14.475 23.467 -3.243 1.00 15.78 ? 136 VAL A CB 1 ATOM 1076 C CG1 . VAL A 1 136 ? -14.209 24.930 -3.702 1.00 13.97 ? 136 VAL A CG1 1 ATOM 1077 C CG2 . VAL A 1 136 ? -14.166 22.524 -4.361 1.00 14.03 ? 136 VAL A CG2 1 ATOM 1078 N N . GLY A 1 137 ? -12.901 24.960 -0.519 1.00 16.05 ? 137 GLY A N 1 ATOM 1079 C CA . GLY A 1 137 ? -12.955 25.850 0.612 1.00 17.65 ? 137 GLY A CA 1 ATOM 1080 C C . GLY A 1 137 ? -12.455 27.192 0.123 1.00 17.25 ? 137 GLY A C 1 ATOM 1081 O O . GLY A 1 137 ? -12.243 27.376 -1.091 1.00 16.60 ? 137 GLY A O 1 ATOM 1082 N N . ILE A 1 138 ? -12.249 28.107 1.054 1.00 20.17 ? 138 ILE A N 1 ATOM 1083 C CA . ILE A 1 138 ? -11.768 29.435 0.707 1.00 21.83 ? 138 ILE A CA 1 ATOM 1084 C C . ILE A 1 138 ? -10.295 29.497 1.137 1.00 24.54 ? 138 ILE A C 1 ATOM 1085 O O . ILE A 1 138 ? -9.953 29.067 2.270 1.00 24.82 ? 138 ILE A O 1 ATOM 1086 C CB . ILE A 1 138 ? -12.648 30.507 1.391 1.00 22.41 ? 138 ILE A CB 1 ATOM 1087 C CG1 . ILE A 1 138 ? -14.074 30.440 0.876 1.00 25.55 ? 138 ILE A CG1 1 ATOM 1088 C CG2 . ILE A 1 138 ? -12.120 31.968 1.089 1.00 24.49 ? 138 ILE A CG2 1 ATOM 1089 C CD1 . ILE A 1 138 ? -15.056 31.430 1.545 1.00 29.87 ? 138 ILE A CD1 1 ATOM 1090 N N . GLU A 1 139 ? -9.409 29.962 0.238 1.00 24.81 ? 139 GLU A N 1 ATOM 1091 C CA . GLU A 1 139 ? -8.004 30.282 0.565 1.00 27.83 ? 139 GLU A CA 1 ATOM 1092 C C . GLU A 1 139 ? -7.698 31.758 0.339 1.00 29.93 ? 139 GLU A C 1 ATOM 1093 O O . GLU A 1 139 ? -8.542 32.495 -0.185 1.00 28.38 ? 139 GLU A O 1 ATOM 1094 C CB . GLU A 1 139 ? -7.006 29.483 -0.289 1.00 27.85 ? 139 GLU A CB 1 ATOM 1095 C CG . GLU A 1 139 ? -6.921 28.000 0.061 1.00 30.53 ? 139 GLU A CG 1 ATOM 1096 C CD . GLU A 1 139 ? -6.182 27.746 1.351 1.00 29.30 ? 139 GLU A CD 1 ATOM 1097 O OE1 . GLU A 1 139 ? -6.262 26.614 1.868 1.00 33.21 ? 139 GLU A OE1 1 ATOM 1098 O OE2 . GLU A 1 139 ? -5.527 28.676 1.851 1.00 35.22 ? 139 GLU A OE2 1 ATOM 1099 N N . THR A 1 140 ? -6.461 32.170 0.689 1.00 32.82 ? 140 THR A N 1 ATOM 1100 C CA . THR A 1 140 ? -6.049 33.592 0.627 1.00 35.11 ? 140 THR A CA 1 ATOM 1101 C C . THR A 1 140 ? -4.569 33.809 0.268 1.00 37.92 ? 140 THR A C 1 ATOM 1102 O O . THR A 1 140 ? -4.148 34.865 -0.229 1.00 39.59 ? 140 THR A O 1 ATOM 1103 C CB . THR A 1 140 ? -6.384 34.340 1.933 1.00 35.65 ? 140 THR A CB 1 ATOM 1104 O OG1 A THR A 1 140 ? -5.375 34.058 2.904 0.50 36.39 ? 140 THR A OG1 1 ATOM 1105 O OG1 B THR A 1 140 ? -5.736 35.606 1.933 0.50 35.90 ? 140 THR A OG1 1 ATOM 1106 C CG2 A THR A 1 140 ? -7.752 33.934 2.480 0.50 34.10 ? 140 THR A CG2 1 ATOM 1107 C CG2 B THR A 1 140 ? -5.973 33.539 3.181 0.50 36.86 ? 140 THR A CG2 1 ATOM 1108 N N . VAL A 1 141 ? -3.798 32.781 0.521 1.00 39.28 ? 141 VAL A N 1 ATOM 1109 C CA . VAL A 1 141 ? -2.394 32.756 0.240 1.00 41.51 ? 141 VAL A CA 1 ATOM 1110 C C . VAL A 1 141 ? -2.128 33.084 -1.254 1.00 41.02 ? 141 VAL A C 1 ATOM 1111 O O . VAL A 1 141 ? -2.695 32.451 -2.167 1.00 41.01 ? 141 VAL A O 1 ATOM 1112 C CB . VAL A 1 141 ? -1.897 31.359 0.679 1.00 41.49 ? 141 VAL A CB 1 ATOM 1113 C CG1 . VAL A 1 141 ? -1.251 30.590 -0.443 1.00 42.22 ? 141 VAL A CG1 1 ATOM 1114 C CG2 . VAL A 1 141 ? -1.087 31.429 1.947 1.00 43.70 ? 141 VAL A CG2 1 ATOM 1115 N N . GLY A 1 142 ? -1.300 34.090 -1.503 1.00 40.83 ? 142 GLY A N 1 ATOM 1116 C CA . GLY A 1 142 ? -0.993 34.484 -2.866 1.00 40.52 ? 142 GLY A CA 1 ATOM 1117 C C . GLY A 1 142 ? -2.165 35.046 -3.666 1.00 38.81 ? 142 GLY A C 1 ATOM 1118 O O . GLY A 1 142 ? -2.056 35.167 -4.881 1.00 39.26 ? 142 GLY A O 1 ATOM 1119 N N . GLY A 1 143 ? -3.268 35.400 -2.990 1.00 37.87 ? 143 GLY A N 1 ATOM 1120 C CA . GLY A 1 143 ? -4.425 36.055 -3.633 1.00 35.48 ? 143 GLY A CA 1 ATOM 1121 C C . GLY A 1 143 ? -4.330 37.582 -3.662 1.00 35.86 ? 143 GLY A C 1 ATOM 1122 O O . GLY A 1 143 ? -5.267 38.269 -4.051 1.00 34.92 ? 143 GLY A O 1 ATOM 1123 N N . GLY A 1 144 ? -3.194 38.119 -3.256 1.00 35.68 ? 144 GLY A N 1 ATOM 1124 C CA . GLY A 1 144 ? -2.985 39.560 -3.281 1.00 37.68 ? 144 GLY A CA 1 ATOM 1125 C C . GLY A 1 144 ? -4.093 40.241 -2.506 1.00 37.67 ? 144 GLY A C 1 ATOM 1126 O O . GLY A 1 144 ? -4.594 41.288 -2.921 1.00 39.17 ? 144 GLY A O 1 ATOM 1127 N N . GLY A 1 145 ? -4.481 39.623 -1.389 1.00 36.48 ? 145 GLY A N 1 ATOM 1128 C CA . GLY A 1 145 ? -5.539 40.142 -0.519 1.00 35.35 ? 145 GLY A CA 1 ATOM 1129 C C . GLY A 1 145 ? -6.913 39.515 -0.754 1.00 32.79 ? 145 GLY A C 1 ATOM 1130 O O . GLY A 1 145 ? -7.765 39.582 0.127 1.00 33.11 ? 145 GLY A O 1 ATOM 1131 N N . ARG A 1 146 ? -7.130 38.886 -1.908 1.00 29.20 ? 146 ARG A N 1 ATOM 1132 C CA . ARG A 1 146 ? -8.465 38.417 -2.244 1.00 26.93 ? 146 ARG A CA 1 ATOM 1133 C C . ARG A 1 146 ? -8.597 36.983 -1.759 1.00 24.62 ? 146 ARG A C 1 ATOM 1134 O O . ARG A 1 146 ? -7.588 36.299 -1.571 1.00 24.80 ? 146 ARG A O 1 ATOM 1135 C CB . ARG A 1 146 ? -8.726 38.484 -3.752 1.00 26.84 ? 146 ARG A CB 1 ATOM 1136 C CG . ARG A 1 146 ? -8.559 39.867 -4.389 1.00 31.52 ? 146 ARG A CG 1 ATOM 1137 C CD . ARG A 1 146 ? -9.462 39.974 -5.642 1.00 35.30 ? 146 ARG A CD 1 ATOM 1138 N NE . ARG A 1 146 ? -10.656 40.793 -5.367 1.00 40.61 ? 146 ARG A NE 1 ATOM 1139 C CZ . ARG A 1 146 ? -11.899 40.325 -5.229 1.00 42.20 ? 146 ARG A CZ 1 ATOM 1140 N NH1 . ARG A 1 146 ? -12.180 39.054 -5.371 1.00 45.40 ? 146 ARG A NH1 1 ATOM 1141 N NH2 . ARG A 1 146 ? -12.898 41.131 -4.982 1.00 45.02 ? 146 ARG A NH2 1 ATOM 1142 N N . ARG A 1 147 ? -9.834 36.563 -1.528 1.00 21.91 ? 147 ARG A N 1 ATOM 1143 C CA . ARG A 1 147 ? -10.140 35.196 -1.127 1.00 19.89 ? 147 ARG A CA 1 ATOM 1144 C C . ARG A 1 147 ? -10.642 34.444 -2.349 1.00 19.06 ? 147 ARG A C 1 ATOM 1145 O O . ARG A 1 147 ? -11.396 34.984 -3.129 1.00 19.30 ? 147 ARG A O 1 ATOM 1146 C CB . ARG A 1 147 ? -11.204 35.208 -0.020 1.00 19.81 ? 147 ARG A CB 1 ATOM 1147 C CG . ARG A 1 147 ? -10.750 35.988 1.200 1.00 23.79 ? 147 ARG A CG 1 ATOM 1148 C CD . ARG A 1 147 ? -11.663 35.777 2.371 1.00 32.71 ? 147 ARG A CD 1 ATOM 1149 N NE . ARG A 1 147 ? -11.030 36.325 3.579 1.00 40.51 ? 147 ARG A NE 1 ATOM 1150 C CZ . ARG A 1 147 ? -11.601 36.375 4.782 1.00 44.26 ? 147 ARG A CZ 1 ATOM 1151 N NH1 . ARG A 1 147 ? -12.848 35.937 4.957 1.00 43.79 ? 147 ARG A NH1 1 ATOM 1152 N NH2 . ARG A 1 147 ? -10.922 36.882 5.812 1.00 45.57 ? 147 ARG A NH2 1 ATOM 1153 N N . TYR A 1 148 ? -10.265 33.174 -2.501 1.00 17.88 ? 148 TYR A N 1 ATOM 1154 C CA . TYR A 1 148 ? -10.615 32.465 -3.725 1.00 17.95 ? 148 TYR A CA 1 ATOM 1155 C C . TYR A 1 148 ? -10.873 31.026 -3.384 1.00 17.32 ? 148 TYR A C 1 ATOM 1156 O O . TYR A 1 148 ? -10.359 30.552 -2.386 1.00 18.37 ? 148 TYR A O 1 ATOM 1157 C CB . TYR A 1 148 ? -9.463 32.561 -4.767 1.00 18.47 ? 148 TYR A CB 1 ATOM 1158 C CG . TYR A 1 148 ? -8.116 32.123 -4.230 1.00 19.69 ? 148 TYR A CG 1 ATOM 1159 C CD1 . TYR A 1 148 ? -7.714 30.812 -4.343 1.00 20.08 ? 148 TYR A CD1 1 ATOM 1160 C CD2 . TYR A 1 148 ? -7.269 33.016 -3.584 1.00 17.83 ? 148 TYR A CD2 1 ATOM 1161 C CE1 . TYR A 1 148 ? -6.491 30.403 -3.842 1.00 20.80 ? 148 TYR A CE1 1 ATOM 1162 C CE2 . TYR A 1 148 ? -6.026 32.638 -3.068 1.00 20.20 ? 148 TYR A CE2 1 ATOM 1163 C CZ . TYR A 1 148 ? -5.657 31.279 -3.204 1.00 21.40 ? 148 TYR A CZ 1 ATOM 1164 O OH . TYR A 1 148 ? -4.468 30.778 -2.717 1.00 22.66 ? 148 TYR A OH 1 ATOM 1165 N N . LEU A 1 149 ? -11.692 30.355 -4.192 1.00 14.82 ? 149 LEU A N 1 ATOM 1166 C CA . LEU A 1 149 ? -12.011 28.937 -3.989 1.00 15.56 ? 149 LEU A CA 1 ATOM 1167 C C . LEU A 1 149 ? -10.823 28.033 -4.283 1.00 15.71 ? 149 LEU A C 1 ATOM 1168 O O . LEU A 1 149 ? -10.120 28.235 -5.278 1.00 15.16 ? 149 LEU A O 1 ATOM 1169 C CB . LEU A 1 149 ? -13.179 28.546 -4.899 1.00 14.58 ? 149 LEU A CB 1 ATOM 1170 C CG . LEU A 1 149 ? -14.523 29.177 -4.579 1.00 15.96 ? 149 LEU A CG 1 ATOM 1171 C CD1 . LEU A 1 149 ? -15.627 28.595 -5.506 1.00 12.60 ? 149 LEU A CD1 1 ATOM 1172 C CD2 . LEU A 1 149 ? -14.926 28.965 -3.075 1.00 17.47 ? 149 LEU A CD2 1 ATOM 1173 N N . ALA A 1 150 ? -10.614 27.006 -3.445 1.00 15.86 ? 150 ALA A N 1 ATOM 1174 C CA . ALA A 1 150 ? -9.468 26.116 -3.645 1.00 16.52 ? 150 ALA A CA 1 ATOM 1175 C C . ALA A 1 150 ? -9.754 24.856 -2.926 1.00 17.05 ? 150 ALA A C 1 ATOM 1176 O O . ALA A 1 150 ? -10.320 24.908 -1.822 1.00 18.48 ? 150 ALA A O 1 ATOM 1177 C CB . ALA A 1 150 ? -8.195 26.779 -3.068 1.00 16.10 ? 150 ALA A CB 1 ATOM 1178 N N . PRO A 1 151 ? -9.383 23.703 -3.513 1.00 17.15 ? 151 PRO A N 1 ATOM 1179 C CA . PRO A 1 151 ? -9.545 22.499 -2.749 1.00 18.87 ? 151 PRO A CA 1 ATOM 1180 C C . PRO A 1 151 ? -8.693 22.576 -1.496 1.00 21.53 ? 151 PRO A C 1 ATOM 1181 O O . PRO A 1 151 ? -7.555 23.041 -1.565 1.00 22.20 ? 151 PRO A O 1 ATOM 1182 C CB . PRO A 1 151 ? -8.968 21.412 -3.652 1.00 18.90 ? 151 PRO A CB 1 ATOM 1183 C CG . PRO A 1 151 ? -9.069 21.947 -5.062 1.00 18.28 ? 151 PRO A CG 1 ATOM 1184 C CD . PRO A 1 151 ? -8.858 23.460 -4.868 1.00 16.50 ? 151 PRO A CD 1 ATOM 1185 N N . ARG A 1 152 ? -9.245 22.128 -0.370 1.00 21.73 ? 152 ARG A N 1 ATOM 1186 C CA . ARG A 1 152 ? -8.526 22.167 0.882 1.00 24.40 ? 152 ARG A CA 1 ATOM 1187 C C . ARG A 1 152 ? -9.171 21.209 1.879 1.00 25.82 ? 152 ARG A C 1 ATOM 1188 O O . ARG A 1 152 ? -10.173 20.545 1.564 1.00 24.94 ? 152 ARG A O 1 ATOM 1189 C CB . ARG A 1 152 ? -8.437 23.610 1.423 1.00 24.72 ? 152 ARG A CB 1 ATOM 1190 C CG . ARG A 1 152 ? -9.728 24.331 1.673 1.00 26.84 ? 152 ARG A CG 1 ATOM 1191 C CD . ARG A 1 152 ? -9.474 25.672 2.382 1.00 30.71 ? 152 ARG A CD 1 ATOM 1192 N NE . ARG A 1 152 ? -8.701 25.509 3.638 1.00 30.22 ? 152 ARG A NE 1 ATOM 1193 C CZ . ARG A 1 152 ? -8.534 26.461 4.562 1.00 31.14 ? 152 ARG A CZ 1 ATOM 1194 N NH1 . ARG A 1 152 ? -9.098 27.641 4.408 1.00 30.87 ? 152 ARG A NH1 1 ATOM 1195 N NH2 . ARG A 1 152 ? -7.812 26.237 5.659 1.00 31.50 ? 152 ARG A NH2 1 ATOM 1196 N N . ASP A 1 153 ? -8.590 21.107 3.071 1.00 27.78 ? 153 ASP A N 1 ATOM 1197 C CA . ASP A 1 153 ? -9.076 20.154 4.079 1.00 31.58 ? 153 ASP A CA 1 ATOM 1198 C C . ASP A 1 153 ? -10.437 20.512 4.682 1.00 31.61 ? 153 ASP A C 1 ATOM 1199 O O . ASP A 1 153 ? -11.194 19.637 5.083 1.00 32.43 ? 153 ASP A O 1 ATOM 1200 C CB . ASP A 1 153 ? -8.032 19.968 5.195 1.00 33.86 ? 153 ASP A CB 1 ATOM 1201 C CG . ASP A 1 153 ? -6.856 19.059 4.763 1.00 38.98 ? 153 ASP A CG 1 ATOM 1202 O OD1 . ASP A 1 153 ? -6.829 18.596 3.585 1.00 44.25 ? 153 ASP A OD1 1 ATOM 1203 O OD2 . ASP A 1 153 ? -5.960 18.790 5.610 1.00 44.92 ? 153 ASP A OD2 1 ATOM 1204 N N . ARG A 1 154 ? -10.730 21.798 4.782 1.00 31.30 ? 154 ARG A N 1 ATOM 1205 C CA . ARG A 1 154 ? -11.967 22.236 5.412 1.00 32.35 ? 154 ARG A CA 1 ATOM 1206 C C . ARG A 1 154 ? -12.869 22.784 4.293 1.00 29.58 ? 154 ARG A C 1 ATOM 1207 O O . ARG A 1 154 ? -12.427 23.608 3.511 1.00 29.54 ? 154 ARG A O 1 ATOM 1208 C CB . ARG A 1 154 ? -11.671 23.340 6.455 1.00 33.84 ? 154 ARG A CB 1 ATOM 1209 C CG . ARG A 1 154 ? -10.889 22.854 7.720 1.00 41.48 ? 154 ARG A CG 1 ATOM 1210 C CD . ARG A 1 154 ? -11.578 21.626 8.398 1.00 49.96 ? 154 ARG A CD 1 ATOM 1211 N NE . ARG A 1 154 ? -11.161 21.428 9.793 1.00 57.61 ? 154 ARG A NE 1 ATOM 1212 C CZ . ARG A 1 154 ? -10.306 20.489 10.217 1.00 61.54 ? 154 ARG A CZ 1 ATOM 1213 N NH1 . ARG A 1 154 ? -9.740 19.630 9.364 1.00 62.76 ? 154 ARG A NH1 1 ATOM 1214 N NH2 . ARG A 1 154 ? -10.005 20.413 11.509 1.00 63.95 ? 154 ARG A NH2 1 ATOM 1215 N N . PRO A 1 155 ? -14.120 22.325 4.220 1.00 28.62 ? 155 PRO A N 1 ATOM 1216 C CA . PRO A 1 155 ? -15.004 22.828 3.148 1.00 26.25 ? 155 PRO A CA 1 ATOM 1217 C C . PRO A 1 155 ? -15.570 24.192 3.469 1.00 25.30 ? 155 PRO A C 1 ATOM 1218 O O . PRO A 1 155 ? -15.623 24.592 4.654 1.00 25.33 ? 155 PRO A O 1 ATOM 1219 C CB . PRO A 1 155 ? -16.129 21.806 3.108 1.00 26.75 ? 155 PRO A CB 1 ATOM 1220 C CG . PRO A 1 155 ? -16.246 21.319 4.525 1.00 28.86 ? 155 PRO A CG 1 ATOM 1221 C CD . PRO A 1 155 ? -14.798 21.339 5.085 1.00 29.57 ? 155 PRO A CD 1 ATOM 1222 N N . LEU A 1 156 ? -15.967 24.915 2.424 1.00 21.91 ? 156 LEU A N 1 ATOM 1223 C CA . LEU A 1 156 ? -16.852 26.062 2.596 1.00 22.05 ? 156 LEU A CA 1 ATOM 1224 C C . LEU A 1 156 ? -18.297 25.545 2.532 1.00 20.98 ? 156 LEU A C 1 ATOM 1225 O O . LEU A 1 156 ? -18.697 25.001 1.512 1.00 19.41 ? 156 LEU A O 1 ATOM 1226 C CB . LEU A 1 156 ? -16.577 27.111 1.508 1.00 21.81 ? 156 LEU A CB 1 ATOM 1227 C CG . LEU A 1 156 ? -17.603 28.219 1.294 1.00 23.91 ? 156 LEU A CG 1 ATOM 1228 C CD1 . LEU A 1 156 ? -17.590 29.151 2.463 1.00 24.92 ? 156 LEU A CD1 1 ATOM 1229 C CD2 . LEU A 1 156 ? -17.396 28.974 -0.008 1.00 23.00 ? 156 LEU A CD2 1 ATOM 1230 N N . ALA A 1 157 ? -19.069 25.717 3.610 1.00 19.65 ? 157 ALA A N 1 ATOM 1231 C CA . ALA A 1 157 ? -20.504 25.409 3.566 1.00 19.20 ? 157 ALA A CA 1 ATOM 1232 C C . ALA A 1 157 ? -21.168 26.409 2.611 1.00 18.26 ? 157 ALA A C 1 ATOM 1233 O O . ALA A 1 157 ? -21.035 27.607 2.783 1.00 19.27 ? 157 ALA A O 1 ATOM 1234 C CB . ALA A 1 157 ? -21.122 25.525 5.003 1.00 19.71 ? 157 ALA A CB 1 ATOM 1235 N N . VAL A 1 158 ? -21.920 25.931 1.626 1.00 17.87 ? 158 VAL A N 1 ATOM 1236 C CA . VAL A 1 158 ? -22.556 26.863 0.676 1.00 16.79 ? 158 VAL A CA 1 ATOM 1237 C C . VAL A 1 158 ? -24.078 26.670 0.566 1.00 17.78 ? 158 VAL A C 1 ATOM 1238 O O . VAL A 1 158 ? -24.611 25.615 0.908 1.00 16.59 ? 158 VAL A O 1 ATOM 1239 C CB . VAL A 1 158 ? -21.957 26.747 -0.768 1.00 15.38 ? 158 VAL A CB 1 ATOM 1240 C CG1 . VAL A 1 158 ? -20.526 27.223 -0.805 1.00 17.20 ? 158 VAL A CG1 1 ATOM 1241 C CG2 . VAL A 1 158 ? -22.057 25.351 -1.259 1.00 16.63 ? 158 VAL A CG2 1 ATOM 1242 N N . ARG A 1 159 ? -24.741 27.679 0.034 1.00 16.54 ? 159 ARG A N 1 ATOM 1243 C CA . ARG A 1 159 ? -26.162 27.583 -0.304 1.00 18.83 ? 159 ARG A CA 1 ATOM 1244 C C . ARG A 1 159 ? -26.279 28.050 -1.759 1.00 19.45 ? 159 ARG A C 1 ATOM 1245 O O . ARG A 1 159 ? -25.357 28.706 -2.287 1.00 18.65 ? 159 ARG A O 1 ATOM 1246 C CB . ARG A 1 159 ? -26.958 28.527 0.614 1.00 18.41 ? 159 ARG A CB 1 ATOM 1247 C CG . ARG A 1 159 ? -26.532 29.993 0.508 1.00 19.33 ? 159 ARG A CG 1 ATOM 1248 C CD . ARG A 1 159 ? -27.098 30.816 1.688 1.00 17.59 ? 159 ARG A CD 1 ATOM 1249 N NE . ARG A 1 159 ? -26.534 32.156 1.734 1.00 17.97 ? 159 ARG A NE 1 ATOM 1250 C CZ . ARG A 1 159 ? -27.098 33.220 1.209 1.00 19.19 ? 159 ARG A CZ 1 ATOM 1251 N NH1 . ARG A 1 159 ? -28.289 33.121 0.605 1.00 24.09 ? 159 ARG A NH1 1 ATOM 1252 N NH2 . ARG A 1 159 ? -26.534 34.401 1.347 1.00 23.65 ? 159 ARG A NH2 1 ATOM 1253 N N . PHE A 1 160 ? -27.421 27.780 -2.373 1.00 19.17 ? 160 PHE A N 1 ATOM 1254 C CA . PHE A 1 160 ? -27.632 28.117 -3.780 1.00 19.76 ? 160 PHE A CA 1 ATOM 1255 C C . PHE A 1 160 ? -28.875 28.958 -3.928 1.00 21.39 ? 160 PHE A C 1 ATOM 1256 O O . PHE A 1 160 ? -29.918 28.636 -3.345 1.00 21.10 ? 160 PHE A O 1 ATOM 1257 C CB . PHE A 1 160 ? -27.773 26.839 -4.606 1.00 20.28 ? 160 PHE A CB 1 ATOM 1258 C CG . PHE A 1 160 ? -26.629 25.897 -4.422 1.00 19.95 ? 160 PHE A CG 1 ATOM 1259 C CD1 . PHE A 1 160 ? -25.406 26.144 -5.049 1.00 20.12 ? 160 PHE A CD1 1 ATOM 1260 C CD2 . PHE A 1 160 ? -26.770 24.767 -3.614 1.00 23.85 ? 160 PHE A CD2 1 ATOM 1261 C CE1 . PHE A 1 160 ? -24.327 25.277 -4.871 1.00 20.86 ? 160 PHE A CE1 1 ATOM 1262 C CE2 . PHE A 1 160 ? -25.702 23.898 -3.429 1.00 21.65 ? 160 PHE A CE2 1 ATOM 1263 C CZ . PHE A 1 160 ? -24.476 24.155 -4.048 1.00 20.75 ? 160 PHE A CZ 1 ATOM 1264 N N . THR A 1 161 ? -28.765 30.061 -4.665 1.00 21.26 ? 161 THR A N 1 ATOM 1265 C CA . THR A 1 161 ? -29.905 30.922 -4.957 1.00 22.33 ? 161 THR A CA 1 ATOM 1266 C C . THR A 1 161 ? -30.170 30.921 -6.471 1.00 23.07 ? 161 THR A C 1 ATOM 1267 O O . THR A 1 161 ? -29.303 31.373 -7.259 1.00 21.03 ? 161 THR A O 1 ATOM 1268 C CB . THR A 1 161 ? -29.650 32.393 -4.521 1.00 22.43 ? 161 THR A CB 1 ATOM 1269 O OG1 . THR A 1 161 ? -29.496 32.480 -3.095 1.00 22.63 ? 161 THR A OG1 1 ATOM 1270 C CG2 . THR A 1 161 ? -30.815 33.311 -4.941 1.00 24.51 ? 161 THR A CG2 1 ATOM 1271 N N . ARG A 1 162 ? -31.354 30.472 -6.892 1.00 23.81 ? 162 ARG A N 1 ATOM 1272 C CA . ARG A 1 162 ? -31.703 30.618 -8.314 1.00 25.38 ? 162 ARG A CA 1 ATOM 1273 C C . ARG A 1 162 ? -31.572 32.086 -8.833 1.00 26.74 ? 162 ARG A C 1 ATOM 1274 O O . ARG A 1 162 ? -32.072 33.018 -8.197 1.00 26.47 ? 162 ARG A O 1 ATOM 1275 C CB . ARG A 1 162 ? -33.104 30.048 -8.609 1.00 26.84 ? 162 ARG A CB 1 ATOM 1276 C CG . ARG A 1 162 ? -33.387 30.113 -10.125 1.00 30.14 ? 162 ARG A CG 1 ATOM 1277 C CD . ARG A 1 162 ? -34.469 29.213 -10.574 1.00 37.55 ? 162 ARG A CD 1 ATOM 1278 N NE . ARG A 1 162 ? -34.745 29.450 -11.984 1.00 37.67 ? 162 ARG A NE 1 ATOM 1279 C CZ . ARG A 1 162 ? -35.563 28.709 -12.715 1.00 40.10 ? 162 ARG A CZ 1 ATOM 1280 N NH1 . ARG A 1 162 ? -36.187 27.662 -12.182 1.00 39.18 ? 162 ARG A NH1 1 ATOM 1281 N NH2 . ARG A 1 162 ? -35.745 29.018 -13.990 1.00 41.09 ? 162 ARG A NH2 1 ATOM 1282 N N . ALA A 1 163 ? -30.898 32.279 -9.969 1.00 28.53 ? 163 ALA A N 1 ATOM 1283 C CA . ALA A 1 163 ? -30.708 33.602 -10.564 1.00 32.90 ? 163 ALA A CA 1 ATOM 1284 C C . ALA A 1 163 ? -31.952 33.995 -11.386 1.00 37.14 ? 163 ALA A C 1 ATOM 1285 O O . ALA A 1 163 ? -32.389 33.211 -12.242 1.00 37.91 ? 163 ALA A O 1 ATOM 1286 C CB . ALA A 1 163 ? -29.431 33.618 -11.441 1.00 33.14 ? 163 ALA A CB 1 ATOM 1287 N N . SER A 1 164 ? -32.580 35.151 -11.122 1.00 41.02 ? 164 SER A N 1 ATOM 1288 C CA . SER A 1 164 ? -32.244 36.181 -10.079 1.00 43.66 ? 164 SER A CA 1 ATOM 1289 C C . SER A 1 164 ? -32.078 35.695 -8.609 1.00 43.58 ? 164 SER A C 1 ATOM 1290 O O . SER A 1 164 ? -31.764 36.473 -7.677 1.00 45.05 ? 164 SER A O 1 ATOM 1291 C CB . SER A 1 164 ? -33.309 37.309 -10.117 1.00 45.21 ? 164 SER A CB 1 ATOM 1292 O OG . SER A 1 164 ? -33.384 37.923 -11.401 1.00 47.80 ? 164 SER A OG 1 ATOM 1293 N N . ALA B 1 1 ? 3.812 42.229 -42.133 1.00 33.12 ? 1 ALA B N 1 ATOM 1294 C CA . ALA B 1 1 ? 4.178 41.477 -40.904 1.00 32.15 ? 1 ALA B CA 1 ATOM 1295 C C . ALA B 1 1 ? 2.967 41.313 -40.029 1.00 30.87 ? 1 ALA B C 1 ATOM 1296 O O . ALA B 1 1 ? 2.345 42.304 -39.639 1.00 32.74 ? 1 ALA B O 1 ATOM 1297 C CB . ALA B 1 1 ? 5.256 42.192 -40.136 1.00 33.03 ? 1 ALA B CB 1 ATOM 1298 N N . ILE B 1 2 ? 2.663 40.065 -39.684 1.00 28.09 ? 2 ILE B N 1 ATOM 1299 C CA . ILE B 1 2 ? 1.555 39.763 -38.773 1.00 26.96 ? 2 ILE B CA 1 ATOM 1300 C C . ILE B 1 2 ? 2.083 39.669 -37.328 1.00 26.14 ? 2 ILE B C 1 ATOM 1301 O O . ILE B 1 2 ? 3.035 38.916 -37.058 1.00 25.57 ? 2 ILE B O 1 ATOM 1302 C CB . ILE B 1 2 ? 0.832 38.471 -39.232 1.00 26.34 ? 2 ILE B CB 1 ATOM 1303 C CG1 . ILE B 1 2 ? 0.439 38.602 -40.716 1.00 26.32 ? 2 ILE B CG1 1 ATOM 1304 C CG2 . ILE B 1 2 ? -0.362 38.172 -38.345 1.00 24.82 ? 2 ILE B CG2 1 ATOM 1305 C CD1 . ILE B 1 2 ? 0.296 37.279 -41.493 1.00 27.57 ? 2 ILE B CD1 1 ATOM 1306 N N . LEU B 1 3 ? 1.488 40.459 -36.425 1.00 25.28 ? 3 LEU B N 1 ATOM 1307 C CA . LEU B 1 3 ? 1.989 40.570 -35.047 1.00 25.27 ? 3 LEU B CA 1 ATOM 1308 C C . LEU B 1 3 ? 1.286 39.611 -34.129 1.00 24.97 ? 3 LEU B C 1 ATOM 1309 O O . LEU B 1 3 ? 0.059 39.498 -34.198 1.00 24.33 ? 3 LEU B O 1 ATOM 1310 C CB . LEU B 1 3 ? 1.814 41.991 -34.509 1.00 26.90 ? 3 LEU B CB 1 ATOM 1311 C CG . LEU B 1 3 ? 2.493 43.110 -35.326 1.00 27.36 ? 3 LEU B CG 1 ATOM 1312 C CD1 . LEU B 1 3 ? 2.256 44.499 -34.738 1.00 29.94 ? 3 LEU B CD1 1 ATOM 1313 C CD2 . LEU B 1 3 ? 3.975 42.858 -35.524 1.00 27.04 ? 3 LEU B CD2 1 ATOM 1314 N N . THR B 1 4 ? 2.072 38.955 -33.280 1.00 23.61 ? 4 THR B N 1 ATOM 1315 C CA . THR B 1 4 ? 1.591 38.005 -32.258 1.00 23.46 ? 4 THR B CA 1 ATOM 1316 C C . THR B 1 4 ? 0.723 38.762 -31.254 1.00 23.13 ? 4 THR B C 1 ATOM 1317 O O . THR B 1 4 ? 1.101 39.839 -30.791 1.00 22.09 ? 4 THR B O 1 ATOM 1318 C CB . THR B 1 4 ? 2.809 37.405 -31.500 1.00 23.92 ? 4 THR B CB 1 ATOM 1319 O OG1 . THR B 1 4 ? 3.525 36.515 -32.368 1.00 25.25 ? 4 THR B OG1 1 ATOM 1320 C CG2 . THR B 1 4 ? 2.386 36.622 -30.222 1.00 25.37 ? 4 THR B CG2 1 ATOM 1321 N N . GLY B 1 5 ? -0.433 38.214 -30.904 1.00 21.83 ? 5 GLY B N 1 ATOM 1322 C CA . GLY B 1 5 ? -1.184 38.770 -29.785 1.00 22.19 ? 5 GLY B CA 1 ATOM 1323 C C . GLY B 1 5 ? -2.025 39.971 -30.157 1.00 22.94 ? 5 GLY B C 1 ATOM 1324 O O . GLY B 1 5 ? -2.756 40.484 -29.314 1.00 23.33 ? 5 GLY B O 1 ATOM 1325 N N . VAL B 1 6 ? -1.945 40.398 -31.423 1.00 22.62 ? 6 VAL B N 1 ATOM 1326 C CA . VAL B 1 6 ? -2.672 41.570 -31.913 1.00 22.11 ? 6 VAL B CA 1 ATOM 1327 C C . VAL B 1 6 ? -3.927 41.141 -32.736 1.00 21.25 ? 6 VAL B C 1 ATOM 1328 O O . VAL B 1 6 ? -3.844 40.212 -33.557 1.00 18.18 ? 6 VAL B O 1 ATOM 1329 C CB . VAL B 1 6 ? -1.713 42.469 -32.777 1.00 23.06 ? 6 VAL B CB 1 ATOM 1330 C CG1 . VAL B 1 6 ? -2.476 43.603 -33.461 1.00 23.64 ? 6 VAL B CG1 1 ATOM 1331 C CG2 . VAL B 1 6 ? -0.607 43.040 -31.898 1.00 24.44 ? 6 VAL B CG2 1 ATOM 1332 N N . PRO B 1 7 ? -5.084 41.819 -32.525 1.00 21.42 ? 7 PRO B N 1 ATOM 1333 C CA . PRO B 1 7 ? -6.293 41.382 -33.227 1.00 20.88 ? 7 PRO B CA 1 ATOM 1334 C C . PRO B 1 7 ? -6.361 41.762 -34.708 1.00 21.41 ? 7 PRO B C 1 ATOM 1335 O O . PRO B 1 7 ? -6.098 42.925 -35.055 1.00 19.43 ? 7 PRO B O 1 ATOM 1336 C CB . PRO B 1 7 ? -7.431 42.016 -32.430 1.00 20.75 ? 7 PRO B CB 1 ATOM 1337 C CG . PRO B 1 7 ? -6.808 43.252 -31.770 1.00 22.80 ? 7 PRO B CG 1 ATOM 1338 C CD . PRO B 1 7 ? -5.339 42.938 -31.581 1.00 22.42 ? 7 PRO B CD 1 ATOM 1339 N N . TYR B 1 8 ? -6.665 40.782 -35.558 1.00 20.15 ? 8 TYR B N 1 ATOM 1340 C CA . TYR B 1 8 ? -6.913 41.052 -36.996 1.00 21.16 ? 8 TYR B CA 1 ATOM 1341 C C . TYR B 1 8 ? -8.251 40.484 -37.465 1.00 21.34 ? 8 TYR B C 1 ATOM 1342 O O . TYR B 1 8 ? -8.721 39.479 -36.939 1.00 19.88 ? 8 TYR B O 1 ATOM 1343 C CB . TYR B 1 8 ? -5.859 40.341 -37.828 1.00 20.96 ? 8 TYR B CB 1 ATOM 1344 C CG . TYR B 1 8 ? -4.473 40.855 -37.635 1.00 21.75 ? 8 TYR B CG 1 ATOM 1345 C CD1 . TYR B 1 8 ? -3.965 41.861 -38.459 1.00 21.11 ? 8 TYR B CD1 1 ATOM 1346 C CD2 . TYR B 1 8 ? -3.655 40.312 -36.633 1.00 21.03 ? 8 TYR B CD2 1 ATOM 1347 C CE1 . TYR B 1 8 ? -2.653 42.343 -38.287 1.00 23.74 ? 8 TYR B CE1 1 ATOM 1348 C CE2 . TYR B 1 8 ? -2.354 40.759 -36.450 1.00 23.22 ? 8 TYR B CE2 1 ATOM 1349 C CZ . TYR B 1 8 ? -1.860 41.787 -37.267 1.00 23.82 ? 8 TYR B CZ 1 ATOM 1350 O OH . TYR B 1 8 ? -0.581 42.202 -37.050 1.00 24.64 ? 8 TYR B OH 1 ATOM 1351 N N . TYR B 1 9 ? -8.830 41.096 -38.494 1.00 20.18 ? 9 TYR B N 1 ATOM 1352 C CA . TYR B 1 9 ? -9.937 40.479 -39.210 1.00 21.06 ? 9 TYR B CA 1 ATOM 1353 C C . TYR B 1 9 ? -9.358 39.642 -40.342 1.00 21.56 ? 9 TYR B C 1 ATOM 1354 O O . TYR B 1 9 ? -8.435 40.078 -41.058 1.00 22.20 ? 9 TYR B O 1 ATOM 1355 C CB . TYR B 1 9 ? -10.871 41.512 -39.812 1.00 21.87 ? 9 TYR B CB 1 ATOM 1356 C CG . TYR B 1 9 ? -11.572 42.396 -38.821 1.00 23.30 ? 9 TYR B CG 1 ATOM 1357 C CD1 . TYR B 1 9 ? -12.668 41.931 -38.096 1.00 25.46 ? 9 TYR B CD1 1 ATOM 1358 C CD2 . TYR B 1 9 ? -11.169 43.724 -38.637 1.00 24.97 ? 9 TYR B CD2 1 ATOM 1359 C CE1 . TYR B 1 9 ? -13.317 42.746 -37.172 1.00 23.48 ? 9 TYR B CE1 1 ATOM 1360 C CE2 . TYR B 1 9 ? -11.834 44.552 -37.727 1.00 27.35 ? 9 TYR B CE2 1 ATOM 1361 C CZ . TYR B 1 9 ? -12.907 44.045 -37.009 1.00 28.22 ? 9 TYR B CZ 1 ATOM 1362 O OH . TYR B 1 9 ? -13.577 44.842 -36.121 1.00 28.17 ? 9 TYR B OH 1 ATOM 1363 N N . ILE B 1 10 ? -9.899 38.446 -40.502 1.00 20.81 ? 10 ILE B N 1 ATOM 1364 C CA . ILE B 1 10 ? -9.578 37.616 -41.644 1.00 21.43 ? 10 ILE B CA 1 ATOM 1365 C C . ILE B 1 10 ? -10.620 37.964 -42.711 1.00 22.15 ? 10 ILE B C 1 ATOM 1366 O O . ILE B 1 10 ? -11.821 37.817 -42.460 1.00 22.85 ? 10 ILE B O 1 ATOM 1367 C CB . ILE B 1 10 ? -9.741 36.100 -41.330 1.00 20.97 ? 10 ILE B CB 1 ATOM 1368 C CG1 . ILE B 1 10 ? -8.824 35.678 -40.172 1.00 21.11 ? 10 ILE B CG1 1 ATOM 1369 C CG2 . ILE B 1 10 ? -9.443 35.262 -42.577 1.00 22.27 ? 10 ILE B CG2 1 ATOM 1370 C CD1 . ILE B 1 10 ? -9.124 34.273 -39.644 1.00 24.67 ? 10 ILE B CD1 1 ATOM 1371 N N . LEU B 1 11 ? -10.177 38.430 -43.869 1.00 20.85 ? 11 LEU B N 1 ATOM 1372 C CA . LEU B 1 11 ? -11.109 38.727 -44.981 1.00 21.89 ? 11 LEU B CA 1 ATOM 1373 C C . LEU B 1 11 ? -10.715 37.943 -46.234 1.00 22.84 ? 11 LEU B C 1 ATOM 1374 O O . LEU B 1 11 ? -9.523 37.740 -46.464 1.00 21.72 ? 11 LEU B O 1 ATOM 1375 C CB . LEU B 1 11 ? -11.079 40.218 -45.321 1.00 22.11 ? 11 LEU B CB 1 ATOM 1376 C CG . LEU B 1 11 ? -11.561 41.121 -44.198 1.00 21.56 ? 11 LEU B CG 1 ATOM 1377 C CD1 . LEU B 1 11 ? -11.261 42.583 -44.459 1.00 24.99 ? 11 LEU B CD1 1 ATOM 1378 C CD2 . LEU B 1 11 ? -13.058 40.944 -44.005 1.00 26.03 ? 11 LEU B CD2 1 ATOM 1379 N N . PRO B 1 12 ? -11.705 37.526 -47.064 1.00 23.55 ? 12 PRO B N 1 ATOM 1380 C CA . PRO B 1 12 ? -11.319 37.006 -48.375 1.00 23.86 ? 12 PRO B CA 1 ATOM 1381 C C . PRO B 1 12 ? -10.476 38.075 -49.080 1.00 24.96 ? 12 PRO B C 1 ATOM 1382 O O . PRO B 1 12 ? -10.701 39.269 -48.874 1.00 23.31 ? 12 PRO B O 1 ATOM 1383 C CB . PRO B 1 12 ? -12.673 36.885 -49.119 1.00 25.17 ? 12 PRO B CB 1 ATOM 1384 C CG . PRO B 1 12 ? -13.746 36.831 -47.990 1.00 24.15 ? 12 PRO B CG 1 ATOM 1385 C CD . PRO B 1 12 ? -13.174 37.743 -46.956 1.00 24.95 ? 12 PRO B CD 1 ATOM 1386 N N . SER B 1 13 ? -9.516 37.648 -49.885 1.00 26.09 ? 13 SER B N 1 ATOM 1387 C CA . SER B 1 13 ? -8.653 38.587 -50.605 1.00 29.28 ? 13 SER B CA 1 ATOM 1388 C C . SER B 1 13 ? -9.381 39.582 -51.491 1.00 31.40 ? 13 SER B C 1 ATOM 1389 O O . SER B 1 13 ? -8.881 40.677 -51.732 1.00 32.61 ? 13 SER B O 1 ATOM 1390 C CB . SER B 1 13 ? -7.578 37.851 -51.392 1.00 29.22 ? 13 SER B CB 1 ATOM 1391 O OG A SER B 1 13 ? -8.146 37.016 -52.395 0.57 30.66 ? 13 SER B OG 1 ATOM 1392 O OG B SER B 1 13 ? -6.815 37.063 -50.499 0.43 28.52 ? 13 SER B OG 1 ATOM 1393 N N . THR B 1 14 ? -10.582 39.221 -51.933 1.00 33.02 ? 14 THR B N 1 ATOM 1394 C CA . THR B 1 14 ? -11.262 40.031 -52.923 1.00 36.20 ? 14 THR B CA 1 ATOM 1395 C C . THR B 1 14 ? -12.650 40.493 -52.502 1.00 36.65 ? 14 THR B C 1 ATOM 1396 O O . THR B 1 14 ? -13.404 41.028 -53.313 1.00 38.09 ? 14 THR B O 1 ATOM 1397 C CB . THR B 1 14 ? -11.298 39.301 -54.278 1.00 37.26 ? 14 THR B CB 1 ATOM 1398 O OG1 . THR B 1 14 ? -11.926 38.016 -54.104 1.00 39.89 ? 14 THR B OG1 1 ATOM 1399 C CG2 . THR B 1 14 ? -9.848 39.133 -54.840 1.00 38.14 ? 14 THR B CG2 1 ATOM 1400 N N . SER B 1 15 ? -12.987 40.301 -51.231 1.00 35.41 ? 15 SER B N 1 ATOM 1401 C CA . SER B 1 15 ? -14.271 40.761 -50.731 1.00 36.28 ? 15 SER B CA 1 ATOM 1402 C C . SER B 1 15 ? -14.139 41.314 -49.312 1.00 35.17 ? 15 SER B C 1 ATOM 1403 O O . SER B 1 15 ? -13.096 41.156 -48.670 1.00 32.66 ? 15 SER B O 1 ATOM 1404 C CB . SER B 1 15 ? -15.332 39.639 -50.799 1.00 36.79 ? 15 SER B CB 1 ATOM 1405 O OG A SER B 1 15 ? -15.092 38.772 -51.904 0.50 38.53 ? 15 SER B OG 1 ATOM 1406 O OG B SER B 1 15 ? -15.361 38.862 -49.631 0.50 34.60 ? 15 SER B OG 1 ATOM 1407 N N . ARG B 1 16 ? -15.203 41.966 -48.846 1.00 35.63 ? 16 ARG B N 1 ATOM 1408 C CA . ARG B 1 16 ? -15.225 42.545 -47.511 1.00 35.77 ? 16 ARG B CA 1 ATOM 1409 C C . ARG B 1 16 ? -16.177 41.745 -46.617 1.00 34.05 ? 16 ARG B C 1 ATOM 1410 O O . ARG B 1 16 ? -16.518 42.162 -45.507 1.00 33.30 ? 16 ARG B O 1 ATOM 1411 C CB . ARG B 1 16 ? -15.618 44.029 -47.591 1.00 38.62 ? 16 ARG B CB 1 ATOM 1412 C CG . ARG B 1 16 ? -14.772 44.955 -46.688 1.00 44.10 ? 16 ARG B CG 1 ATOM 1413 C CD . ARG B 1 16 ? -13.489 45.505 -47.410 1.00 50.98 ? 16 ARG B CD 1 ATOM 1414 N NE . ARG B 1 16 ? -12.386 45.721 -46.455 1.00 54.08 ? 16 ARG B NE 1 ATOM 1415 C CZ . ARG B 1 16 ? -11.205 46.278 -46.734 1.00 56.02 ? 16 ARG B CZ 1 ATOM 1416 N NH1 . ARG B 1 16 ? -10.923 46.725 -47.959 1.00 58.08 ? 16 ARG B NH1 1 ATOM 1417 N NH2 . ARG B 1 16 ? -10.306 46.402 -45.763 1.00 56.58 ? 16 ARG B NH2 1 ATOM 1418 N N . ALA B 1 17 ? -16.574 40.576 -47.117 1.00 32.65 ? 17 ALA B N 1 ATOM 1419 C CA . ALA B 1 17 ? -17.426 39.644 -46.368 1.00 31.96 ? 17 ALA B CA 1 ATOM 1420 C C . ALA B 1 17 ? -16.574 38.786 -45.418 1.00 29.43 ? 17 ALA B C 1 ATOM 1421 O O . ALA B 1 17 ? -16.030 37.738 -45.808 1.00 28.02 ? 17 ALA B O 1 ATOM 1422 C CB . ALA B 1 17 ? -18.198 38.754 -47.328 1.00 33.14 ? 17 ALA B CB 1 ATOM 1423 N N . GLY B 1 18 ? -16.483 39.246 -44.177 1.00 28.47 ? 18 GLY B N 1 ATOM 1424 C CA . GLY B 1 18 ? -15.711 38.572 -43.152 1.00 26.60 ? 18 GLY B CA 1 ATOM 1425 C C . GLY B 1 18 ? -16.457 37.434 -42.460 1.00 27.39 ? 18 GLY B C 1 ATOM 1426 O O . GLY B 1 18 ? -17.441 36.888 -42.993 1.00 27.92 ? 18 GLY B O 1 ATOM 1427 N N . PHE B 1 19 ? -15.971 37.076 -41.267 1.00 25.37 ? 19 PHE B N 1 ATOM 1428 C CA . PHE B 1 19 ? -16.337 35.815 -40.607 1.00 25.14 ? 19 PHE B CA 1 ATOM 1429 C C . PHE B 1 19 ? -16.594 36.024 -39.134 1.00 24.77 ? 19 PHE B C 1 ATOM 1430 O O . PHE B 1 19 ? -15.952 36.877 -38.488 1.00 23.75 ? 19 PHE B O 1 ATOM 1431 C CB . PHE B 1 19 ? -15.256 34.717 -40.754 1.00 24.92 ? 19 PHE B CB 1 ATOM 1432 C CG . PHE B 1 19 ? -14.937 34.376 -42.170 1.00 25.65 ? 19 PHE B CG 1 ATOM 1433 C CD1 . PHE B 1 19 ? -15.644 33.364 -42.831 1.00 27.09 ? 19 PHE B CD1 1 ATOM 1434 C CD2 . PHE B 1 19 ? -13.976 35.128 -42.873 1.00 26.28 ? 19 PHE B CD2 1 ATOM 1435 C CE1 . PHE B 1 19 ? -15.375 33.078 -44.194 1.00 26.20 ? 19 PHE B CE1 1 ATOM 1436 C CE2 . PHE B 1 19 ? -13.725 34.885 -44.216 1.00 28.64 ? 19 PHE B CE2 1 ATOM 1437 C CZ . PHE B 1 19 ? -14.404 33.850 -44.877 1.00 27.46 ? 19 PHE B CZ 1 ATOM 1438 N N . SER B 1 20 ? -17.503 35.204 -38.612 1.00 24.60 ? 20 SER B N 1 ATOM 1439 C CA . SER B 1 20 ? -17.862 35.232 -37.203 1.00 24.83 ? 20 SER B CA 1 ATOM 1440 C C . SER B 1 20 ? -18.178 33.818 -36.719 1.00 24.63 ? 20 SER B C 1 ATOM 1441 O O . SER B 1 20 ? -18.789 33.042 -37.477 1.00 25.50 ? 20 SER B O 1 ATOM 1442 C CB . SER B 1 20 ? -19.106 36.077 -36.996 1.00 26.47 ? 20 SER B CB 1 ATOM 1443 O OG . SER B 1 20 ? -19.632 35.898 -35.676 1.00 27.48 ? 20 SER B OG 1 ATOM 1444 N N . PRO B 1 21 ? -17.791 33.494 -35.459 1.00 23.61 ? 21 PRO B N 1 ATOM 1445 C CA . PRO B 1 21 ? -18.308 32.291 -34.801 1.00 23.64 ? 21 PRO B CA 1 ATOM 1446 C C . PRO B 1 21 ? -19.824 32.364 -34.818 1.00 24.00 ? 21 PRO B C 1 ATOM 1447 O O . PRO B 1 21 ? -20.391 33.461 -34.673 1.00 23.81 ? 21 PRO B O 1 ATOM 1448 C CB . PRO B 1 21 ? -17.789 32.424 -33.354 1.00 23.16 ? 21 PRO B CB 1 ATOM 1449 C CG . PRO B 1 21 ? -16.538 33.259 -33.494 1.00 24.62 ? 21 PRO B CG 1 ATOM 1450 C CD . PRO B 1 21 ? -16.875 34.245 -34.580 1.00 23.19 ? 21 PRO B CD 1 ATOM 1451 N N . ASP B 1 22 ? -20.476 31.231 -35.056 1.00 24.62 ? 22 ASP B N 1 ATOM 1452 C CA . ASP B 1 22 ? -21.948 31.219 -35.125 1.00 26.72 ? 22 ASP B CA 1 ATOM 1453 C C . ASP B 1 22 ? -22.605 31.796 -33.869 1.00 26.08 ? 22 ASP B C 1 ATOM 1454 O O . ASP B 1 22 ? -23.621 32.510 -33.953 1.00 26.99 ? 22 ASP B O 1 ATOM 1455 C CB . ASP B 1 22 ? -22.469 29.805 -35.389 1.00 28.26 ? 22 ASP B CB 1 ATOM 1456 C CG . ASP B 1 22 ? -23.109 29.669 -36.765 1.00 35.32 ? 22 ASP B CG 1 ATOM 1457 O OD1 . ASP B 1 22 ? -23.243 30.697 -37.475 1.00 38.25 ? 22 ASP B OD1 1 ATOM 1458 O OD2 . ASP B 1 22 ? -23.502 28.532 -37.129 1.00 42.20 ? 22 ASP B OD2 1 ATOM 1459 N N . ASN B 1 23 ? -22.023 31.509 -32.699 1.00 24.37 ? 23 ASN B N 1 ATOM 1460 C CA . ASN B 1 23 ? -22.677 31.901 -31.460 1.00 25.43 ? 23 ASN B CA 1 ATOM 1461 C C . ASN B 1 23 ? -22.807 33.425 -31.397 1.00 25.48 ? 23 ASN B C 1 ATOM 1462 O O . ASN B 1 23 ? -23.781 33.953 -30.843 1.00 25.55 ? 23 ASN B O 1 ATOM 1463 C CB . ASN B 1 23 ? -21.961 31.331 -30.226 1.00 23.93 ? 23 ASN B CB 1 ATOM 1464 C CG . ASN B 1 23 ? -20.822 32.208 -29.744 1.00 24.77 ? 23 ASN B CG 1 ATOM 1465 O OD1 . ASN B 1 23 ? -21.036 33.173 -29.009 1.00 25.19 ? 23 ASN B OD1 1 ATOM 1466 N ND2 . ASN B 1 23 ? -19.598 31.878 -30.165 1.00 20.64 ? 23 ASN B ND2 1 ATOM 1467 N N . LEU B 1 24 ? -21.833 34.114 -31.985 1.00 25.48 ? 24 LEU B N 1 ATOM 1468 C CA . LEU B 1 24 ? -21.861 35.572 -31.996 1.00 27.15 ? 24 LEU B CA 1 ATOM 1469 C C . LEU B 1 24 ? -22.864 36.102 -33.027 1.00 29.60 ? 24 LEU B C 1 ATOM 1470 O O . LEU B 1 24 ? -23.452 37.170 -32.834 1.00 29.89 ? 24 LEU B O 1 ATOM 1471 C CB . LEU B 1 24 ? -20.462 36.162 -32.231 1.00 26.40 ? 24 LEU B CB 1 ATOM 1472 C CG . LEU B 1 24 ? -19.439 35.984 -31.088 1.00 25.73 ? 24 LEU B CG 1 ATOM 1473 C CD1 . LEU B 1 24 ? -18.198 36.780 -31.470 1.00 27.10 ? 24 LEU B CD1 1 ATOM 1474 C CD2 . LEU B 1 24 ? -19.951 36.460 -29.726 1.00 26.27 ? 24 LEU B CD2 1 ATOM 1475 N N . ARG B 1 25 ? -23.086 35.354 -34.105 1.00 31.25 ? 25 ARG B N 1 ATOM 1476 C CA . ARG B 1 25 ? -24.164 35.747 -35.038 1.00 34.06 ? 25 ARG B CA 1 ATOM 1477 C C . ARG B 1 25 ? -25.525 35.691 -34.368 1.00 35.28 ? 25 ARG B C 1 ATOM 1478 O O . ARG B 1 25 ? -26.294 36.636 -34.497 1.00 36.72 ? 25 ARG B O 1 ATOM 1479 C CB . ARG B 1 25 ? -24.206 34.870 -36.271 1.00 34.98 ? 25 ARG B CB 1 ATOM 1480 C CG . ARG B 1 25 ? -23.019 34.972 -37.147 1.00 37.20 ? 25 ARG B CG 1 ATOM 1481 C CD . ARG B 1 25 ? -23.333 34.247 -38.444 1.00 43.36 ? 25 ARG B CD 1 ATOM 1482 N NE . ARG B 1 25 ? -24.048 35.090 -39.396 1.00 48.47 ? 25 ARG B NE 1 ATOM 1483 C CZ . ARG B 1 25 ? -24.049 34.924 -40.724 1.00 50.64 ? 25 ARG B CZ 1 ATOM 1484 N NH1 . ARG B 1 25 ? -23.392 33.916 -41.317 1.00 48.94 ? 25 ARG B NH1 1 ATOM 1485 N NH2 . ARG B 1 25 ? -24.728 35.785 -41.468 1.00 51.51 ? 25 ARG B NH2 1 ATOM 1486 N N . LYS B 1 26 ? -25.808 34.593 -33.648 1.00 35.31 ? 26 LYS B N 1 ATOM 1487 C CA . LYS B 1 26 ? -27.092 34.385 -32.964 1.00 35.99 ? 26 LYS B CA 1 ATOM 1488 C C . LYS B 1 26 ? -27.295 35.358 -31.816 1.00 35.52 ? 26 LYS B C 1 ATOM 1489 O O . LYS B 1 26 ? -28.403 35.759 -31.535 1.00 35.99 ? 26 LYS B O 1 ATOM 1490 C CB . LYS B 1 26 ? -27.213 32.948 -32.465 1.00 36.18 ? 26 LYS B CB 1 ATOM 1491 C CG . LYS B 1 26 ? -27.039 31.895 -33.565 1.00 39.55 ? 26 LYS B CG 1 ATOM 1492 C CD . LYS B 1 26 ? -26.793 30.509 -32.962 1.00 44.69 ? 26 LYS B CD 1 ATOM 1493 C CE . LYS B 1 26 ? -26.867 29.414 -34.031 1.00 47.51 ? 26 LYS B CE 1 ATOM 1494 N NZ . LYS B 1 26 ? -27.066 28.086 -33.341 1.00 49.60 ? 26 LYS B NZ 1 ATOM 1495 N N . ASN B 1 27 ? -26.209 35.752 -31.166 1.00 34.49 ? 27 ASN B N 1 ATOM 1496 C CA . ASN B 1 27 ? -26.242 36.779 -30.136 1.00 34.58 ? 27 ASN B CA 1 ATOM 1497 C C . ASN B 1 27 ? -27.159 36.444 -28.956 1.00 34.82 ? 27 ASN B C 1 ATOM 1498 O O . ASN B 1 27 ? -27.699 37.338 -28.301 1.00 34.44 ? 27 ASN B O 1 ATOM 1499 C CB . ASN B 1 27 ? -26.522 38.195 -30.712 1.00 35.90 ? 27 ASN B CB 1 ATOM 1500 C CG . ASN B 1 27 ? -26.014 39.316 -29.782 1.00 37.98 ? 27 ASN B CG 1 ATOM 1501 O OD1 . ASN B 1 27 ? -24.815 39.403 -29.535 1.00 34.41 ? 27 ASN B OD1 1 ATOM 1502 N ND2 . ASN B 1 27 ? -26.925 40.159 -29.256 1.00 42.81 ? 27 ASN B ND2 1 ATOM 1503 N N . THR B 1 28 ? -27.332 35.155 -28.670 1.00 34.35 ? 28 THR B N 1 ATOM 1504 C CA . THR B 1 28 ? -28.012 34.782 -27.420 1.00 36.06 ? 28 THR B CA 1 ATOM 1505 C C . THR B 1 28 ? -27.312 33.650 -26.672 1.00 34.66 ? 28 THR B C 1 ATOM 1506 O O . THR B 1 28 ? -26.608 32.834 -27.279 1.00 33.47 ? 28 THR B O 1 ATOM 1507 C CB . THR B 1 28 ? -29.471 34.360 -27.654 1.00 37.02 ? 28 THR B CB 1 ATOM 1508 O OG1 . THR B 1 28 ? -29.500 33.421 -28.736 1.00 38.64 ? 28 THR B OG1 1 ATOM 1509 C CG2 . THR B 1 28 ? -30.334 35.579 -27.982 1.00 40.90 ? 28 THR B CG2 1 ATOM 1510 N N . SER B 1 29 ? -27.537 33.601 -25.359 1.00 34.52 ? 29 SER B N 1 ATOM 1511 C CA . SER B 1 29 ? -26.966 32.574 -24.489 1.00 33.98 ? 29 SER B CA 1 ATOM 1512 C C . SER B 1 29 ? -27.306 31.172 -24.977 1.00 33.23 ? 29 SER B C 1 ATOM 1513 O O . SER B 1 29 ? -28.453 30.880 -25.335 1.00 33.95 ? 29 SER B O 1 ATOM 1514 C CB . SER B 1 29 ? -27.460 32.764 -23.061 1.00 35.05 ? 29 SER B CB 1 ATOM 1515 O OG . SER B 1 29 ? -26.520 32.255 -22.119 1.00 38.09 ? 29 SER B OG 1 ATOM 1516 N N . GLN B 1 30 ? -26.298 30.316 -25.004 1.00 31.67 ? 30 GLN B N 1 ATOM 1517 C CA . GLN B 1 30 ? -26.457 28.927 -25.409 1.00 31.96 ? 30 GLN B CA 1 ATOM 1518 C C . GLN B 1 30 ? -26.100 28.012 -24.259 1.00 31.71 ? 30 GLN B C 1 ATOM 1519 O O . GLN B 1 30 ? -25.099 28.287 -23.555 1.00 31.59 ? 30 GLN B O 1 ATOM 1520 C CB . GLN B 1 30 ? -25.526 28.599 -26.587 1.00 31.49 ? 30 GLN B CB 1 ATOM 1521 C CG . GLN B 1 30 ? -25.722 29.442 -27.814 1.00 34.75 ? 30 GLN B CG 1 ATOM 1522 C CD . GLN B 1 30 ? -27.105 29.233 -28.439 1.00 40.76 ? 30 GLN B CD 1 ATOM 1523 O OE1 . GLN B 1 30 ? -27.659 28.123 -28.420 1.00 41.68 ? 30 GLN B OE1 1 ATOM 1524 N NE2 . GLN B 1 30 ? -27.677 30.311 -28.970 1.00 43.34 ? 30 GLN B NE2 1 ATOM 1525 N N . PRO B 1 31 ? -26.885 26.913 -24.065 1.00 31.36 ? 31 PRO B N 1 ATOM 1526 C CA . PRO B 1 31 ? -26.571 25.882 -23.072 1.00 31.05 ? 31 PRO B CA 1 ATOM 1527 C C . PRO B 1 31 ? -25.232 25.193 -23.322 1.00 29.78 ? 31 PRO B C 1 ATOM 1528 O O . PRO B 1 31 ? -24.566 24.788 -22.375 1.00 28.86 ? 31 PRO B O 1 ATOM 1529 C CB . PRO B 1 31 ? -27.698 24.855 -23.244 1.00 32.51 ? 31 PRO B CB 1 ATOM 1530 C CG . PRO B 1 31 ? -28.806 25.592 -23.950 1.00 33.83 ? 31 PRO B CG 1 ATOM 1531 C CD . PRO B 1 31 ? -28.118 26.590 -24.817 1.00 32.80 ? 31 PRO B CD 1 ATOM 1532 N N . SER B 1 32 ? -24.882 25.033 -24.593 1.00 29.23 ? 32 SER B N 1 ATOM 1533 C CA . SER B 1 32 ? -23.596 24.518 -25.013 1.00 29.26 ? 32 SER B CA 1 ATOM 1534 C C . SER B 1 32 ? -23.494 24.712 -26.516 1.00 29.30 ? 32 SER B C 1 ATOM 1535 O O . SER B 1 32 ? -24.485 25.018 -27.195 1.00 29.16 ? 32 SER B O 1 ATOM 1536 C CB . SER B 1 32 ? -23.444 23.034 -24.689 1.00 29.89 ? 32 SER B CB 1 ATOM 1537 O OG . SER B 1 32 ? -24.366 22.268 -25.424 1.00 32.89 ? 32 SER B OG 1 ATOM 1538 N N . CYS B 1 33 ? -22.289 24.540 -27.034 1.00 28.78 ? 33 CYS B N 1 ATOM 1539 C CA . CYS B 1 33 ? -22.054 24.774 -28.440 1.00 29.38 ? 33 CYS B CA 1 ATOM 1540 C C . CYS B 1 33 ? -21.195 23.645 -28.978 1.00 29.14 ? 33 CYS B C 1 ATOM 1541 O O . CYS B 1 33 ? -20.000 23.833 -29.212 1.00 29.38 ? 33 CYS B O 1 ATOM 1542 C CB . CYS B 1 33 ? -21.347 26.110 -28.625 1.00 29.24 ? 33 CYS B CB 1 ATOM 1543 S SG . CYS B 1 33 ? -22.234 27.622 -28.046 1.00 32.40 ? 33 CYS B SG 1 ATOM 1544 N N . PRO B 1 34 ? -21.792 22.456 -29.201 1.00 29.62 ? 34 PRO B N 1 ATOM 1545 C CA . PRO B 1 34 ? -20.966 21.299 -29.572 1.00 29.04 ? 34 PRO B CA 1 ATOM 1546 C C . PRO B 1 34 ? -20.220 21.486 -30.903 1.00 28.43 ? 34 PRO B C 1 ATOM 1547 O O . PRO B 1 34 ? -19.273 20.755 -31.162 1.00 27.85 ? 34 PRO B O 1 ATOM 1548 C CB . PRO B 1 34 ? -21.982 20.161 -29.734 1.00 30.41 ? 34 PRO B CB 1 ATOM 1549 C CG . PRO B 1 34 ? -23.318 20.717 -29.331 1.00 31.78 ? 34 PRO B CG 1 ATOM 1550 C CD . PRO B 1 34 ? -23.230 22.207 -29.393 1.00 30.86 ? 34 PRO B CD 1 ATOM 1551 N N . LEU B 1 35 ? -20.675 22.428 -31.730 1.00 27.65 ? 35 LEU B N 1 ATOM 1552 C CA . LEU B 1 35 ? -20.113 22.654 -33.074 1.00 28.13 ? 35 LEU B CA 1 ATOM 1553 C C . LEU B 1 35 ? -20.324 24.110 -33.485 1.00 27.51 ? 35 LEU B C 1 ATOM 1554 O O . LEU B 1 35 ? -21.185 24.396 -34.332 1.00 29.33 ? 35 LEU B O 1 ATOM 1555 C CB . LEU B 1 35 ? -20.768 21.720 -34.108 1.00 28.45 ? 35 LEU B CB 1 ATOM 1556 C CG . LEU B 1 35 ? -20.041 21.581 -35.450 1.00 29.75 ? 35 LEU B CG 1 ATOM 1557 C CD1 . LEU B 1 35 ? -18.968 20.462 -35.334 1.00 30.08 ? 35 LEU B CD1 1 ATOM 1558 C CD2 . LEU B 1 35 ? -21.049 21.284 -36.583 1.00 31.16 ? 35 LEU B CD2 1 ATOM 1559 N N . ASP B 1 36 ? -19.531 25.019 -32.902 1.00 26.29 ? 36 ASP B N 1 ATOM 1560 C CA . ASP B 1 36 ? -19.631 26.457 -33.154 1.00 24.42 ? 36 ASP B CA 1 ATOM 1561 C C . ASP B 1 36 ? -18.791 26.816 -34.400 1.00 24.27 ? 36 ASP B C 1 ATOM 1562 O O . ASP B 1 36 ? -17.592 27.092 -34.299 1.00 24.20 ? 36 ASP B O 1 ATOM 1563 C CB . ASP B 1 36 ? -19.144 27.233 -31.907 1.00 24.22 ? 36 ASP B CB 1 ATOM 1564 C CG . ASP B 1 36 ? -19.431 28.730 -31.980 1.00 24.31 ? 36 ASP B CG 1 ATOM 1565 O OD1 . ASP B 1 36 ? -20.509 29.130 -32.448 1.00 25.97 ? 36 ASP B OD1 1 ATOM 1566 O OD2 . ASP B 1 36 ? -18.573 29.530 -31.548 1.00 24.75 ? 36 ASP B OD2 1 ATOM 1567 N N . LEU B 1 37 ? -19.443 26.810 -35.566 1.00 24.81 ? 37 LEU B N 1 ATOM 1568 C CA . LEU B 1 37 ? -18.802 27.069 -36.869 1.00 24.15 ? 37 LEU B CA 1 ATOM 1569 C C . LEU B 1 37 ? -18.357 28.505 -37.038 1.00 23.12 ? 37 LEU B C 1 ATOM 1570 O O . LEU B 1 37 ? -18.875 29.406 -36.401 1.00 22.57 ? 37 LEU B O 1 ATOM 1571 C CB . LEU B 1 37 ? -19.806 26.744 -38.009 1.00 25.68 ? 37 LEU B CB 1 ATOM 1572 C CG . LEU B 1 37 ? -20.413 25.340 -37.974 1.00 29.38 ? 37 LEU B CG 1 ATOM 1573 C CD1 . LEU B 1 37 ? -21.475 25.135 -39.078 1.00 32.92 ? 37 LEU B CD1 1 ATOM 1574 C CD2 . LEU B 1 37 ? -19.310 24.300 -38.110 1.00 30.74 ? 37 LEU B CD2 1 ATOM 1575 N N . ILE B 1 38 ? -17.413 28.721 -37.951 1.00 23.35 ? 38 ILE B N 1 ATOM 1576 C CA . ILE B 1 38 ? -17.050 30.062 -38.358 1.00 22.84 ? 38 ILE B CA 1 ATOM 1577 C C . ILE B 1 38 ? -17.719 30.316 -39.712 1.00 24.59 ? 38 ILE B C 1 ATOM 1578 O O . ILE B 1 38 ? -17.331 29.721 -40.735 1.00 24.63 ? 38 ILE B O 1 ATOM 1579 C CB . ILE B 1 38 ? -15.529 30.203 -38.519 1.00 22.74 ? 38 ILE B CB 1 ATOM 1580 C CG1 . ILE B 1 38 ? -14.819 29.733 -37.227 1.00 24.15 ? 38 ILE B CG1 1 ATOM 1581 C CG2 . ILE B 1 38 ? -15.177 31.645 -38.889 1.00 20.08 ? 38 ILE B CG2 1 ATOM 1582 C CD1 . ILE B 1 38 ? -15.131 30.568 -36.002 1.00 26.05 ? 38 ILE B CD1 1 ATOM 1583 N N . THR B 1 39 ? -18.696 31.214 -39.705 1.00 25.26 ? 39 THR B N 1 ATOM 1584 C CA . THR B 1 39 ? -19.523 31.453 -40.887 1.00 26.25 ? 39 THR B CA 1 ATOM 1585 C C . THR B 1 39 ? -19.251 32.826 -41.476 1.00 26.40 ? 39 THR B C 1 ATOM 1586 O O . THR B 1 39 ? -18.886 33.775 -40.781 1.00 26.57 ? 39 THR B O 1 ATOM 1587 C CB . THR B 1 39 ? -21.026 31.268 -40.569 1.00 26.34 ? 39 THR B CB 1 ATOM 1588 O OG1 A THR B 1 39 ? -21.393 32.166 -39.526 0.50 27.52 ? 39 THR B OG1 1 ATOM 1589 O OG1 B THR B 1 39 ? -21.831 31.606 -41.701 0.50 26.01 ? 39 THR B OG1 1 ATOM 1590 C CG2 A THR B 1 39 ? -21.319 29.810 -40.170 0.50 27.75 ? 39 THR B CG2 1 ATOM 1591 C CG2 B THR B 1 39 ? -21.407 32.146 -39.420 0.50 27.07 ? 39 THR B CG2 1 ATOM 1592 N N . GLN B 1 40 ? -19.444 32.915 -42.782 1.00 28.56 ? 40 GLN B N 1 ATOM 1593 C CA . GLN B 1 40 ? -19.209 34.155 -43.496 1.00 29.42 ? 40 GLN B CA 1 ATOM 1594 C C . GLN B 1 40 ? -20.414 35.083 -43.372 1.00 31.31 ? 40 GLN B C 1 ATOM 1595 O O . GLN B 1 40 ? -21.581 34.622 -43.420 1.00 31.30 ? 40 GLN B O 1 ATOM 1596 C CB . GLN B 1 40 ? -18.872 33.850 -44.957 1.00 29.60 ? 40 GLN B CB 1 ATOM 1597 C CG . GLN B 1 40 ? -18.171 34.967 -45.670 1.00 28.78 ? 40 GLN B CG 1 ATOM 1598 C CD . GLN B 1 40 ? -17.769 34.582 -47.078 1.00 29.55 ? 40 GLN B CD 1 ATOM 1599 O OE1 . GLN B 1 40 ? -18.331 33.643 -47.687 1.00 27.23 ? 40 GLN B OE1 1 ATOM 1600 N NE2 . GLN B 1 40 ? -16.770 35.295 -47.611 1.00 28.51 ? 40 GLN B NE2 1 ATOM 1601 N N . LEU B 1 41 ? -20.129 36.378 -43.201 1.00 31.70 ? 41 LEU B N 1 ATOM 1602 C CA . LEU B 1 41 ? -21.153 37.417 -43.108 1.00 33.56 ? 41 LEU B CA 1 ATOM 1603 C C . LEU B 1 41 ? -21.370 38.119 -44.465 1.00 35.93 ? 41 LEU B C 1 ATOM 1604 O O . LEU B 1 41 ? -20.571 38.976 -44.885 1.00 35.21 ? 41 LEU B O 1 ATOM 1605 C CB . LEU B 1 41 ? -20.795 38.439 -42.016 1.00 32.77 ? 41 LEU B CB 1 ATOM 1606 C CG . LEU B 1 41 ? -20.458 37.904 -40.624 1.00 31.99 ? 41 LEU B CG 1 ATOM 1607 C CD1 . LEU B 1 41 ? -20.198 39.077 -39.656 1.00 31.88 ? 41 LEU B CD1 1 ATOM 1608 C CD2 . LEU B 1 41 ? -21.620 37.069 -40.124 1.00 30.40 ? 41 LEU B CD2 1 ATOM 1609 N N . ARG B 1 42 ? -22.462 37.759 -45.141 1.00 38.13 ? 42 ARG B N 1 ATOM 1610 C CA . ARG B 1 42 ? -22.593 38.042 -46.581 1.00 41.71 ? 42 ARG B CA 1 ATOM 1611 C C . ARG B 1 42 ? -23.697 39.010 -47.021 1.00 43.87 ? 42 ARG B C 1 ATOM 1612 O O . ARG B 1 42 ? -23.607 39.575 -48.121 1.00 45.73 ? 42 ARG B O 1 ATOM 1613 C CB . ARG B 1 42 ? -22.684 36.737 -47.388 1.00 42.26 ? 42 ARG B CB 1 ATOM 1614 C CG . ARG B 1 42 ? -21.436 35.879 -47.311 1.00 42.30 ? 42 ARG B CG 1 ATOM 1615 C CD . ARG B 1 42 ? -21.140 35.147 -48.604 1.00 47.51 ? 42 ARG B CD 1 ATOM 1616 N NE . ARG B 1 42 ? -22.069 34.060 -48.853 1.00 51.30 ? 42 ARG B NE 1 ATOM 1617 C CZ . ARG B 1 42 ? -22.832 33.964 -49.942 1.00 54.33 ? 42 ARG B CZ 1 ATOM 1618 N NH1 . ARG B 1 42 ? -22.769 34.882 -50.915 1.00 55.57 ? 42 ARG B NH1 1 ATOM 1619 N NH2 . ARG B 1 42 ? -23.656 32.933 -50.065 1.00 54.53 ? 42 ARG B NH2 1 ATOM 1620 N N . PHE B 1 43 ? -24.720 39.207 -46.186 1.00 45.25 ? 43 PHE B N 1 ATOM 1621 C CA . PHE B 1 43 ? -25.884 40.026 -46.576 1.00 47.60 ? 43 PHE B CA 1 ATOM 1622 C C . PHE B 1 43 ? -26.278 41.078 -45.526 1.00 47.59 ? 43 PHE B C 1 ATOM 1623 O O . PHE B 1 43 ? -27.066 40.797 -44.623 1.00 48.22 ? 43 PHE B O 1 ATOM 1624 C CB . PHE B 1 43 ? -27.062 39.122 -46.935 1.00 48.79 ? 43 PHE B CB 1 ATOM 1625 C CG . PHE B 1 43 ? -26.744 38.116 -48.006 1.00 50.89 ? 43 PHE B CG 1 ATOM 1626 C CD1 . PHE B 1 43 ? -26.786 36.750 -47.726 1.00 52.18 ? 43 PHE B CD1 1 ATOM 1627 C CD2 . PHE B 1 43 ? -26.377 38.530 -49.282 1.00 53.21 ? 43 PHE B CD2 1 ATOM 1628 C CE1 . PHE B 1 43 ? -26.483 35.808 -48.714 1.00 53.79 ? 43 PHE B CE1 1 ATOM 1629 C CE2 . PHE B 1 43 ? -26.058 37.598 -50.276 1.00 54.88 ? 43 PHE B CE2 1 ATOM 1630 C CZ . PHE B 1 43 ? -26.120 36.233 -49.988 1.00 53.63 ? 43 PHE B CZ 1 ATOM 1631 N N . PRO B 1 44 ? -25.697 42.287 -45.616 1.00 47.54 ? 44 PRO B N 1 ATOM 1632 C CA . PRO B 1 44 ? -24.645 42.684 -46.567 1.00 47.16 ? 44 PRO B CA 1 ATOM 1633 C C . PRO B 1 44 ? -23.273 42.183 -46.077 1.00 44.70 ? 44 PRO B C 1 ATOM 1634 O O . PRO B 1 44 ? -23.177 41.664 -44.957 1.00 44.27 ? 44 PRO B O 1 ATOM 1635 C CB . PRO B 1 44 ? -24.699 44.217 -46.522 1.00 48.26 ? 44 PRO B CB 1 ATOM 1636 C CG . PRO B 1 44 ? -25.145 44.525 -45.104 1.00 48.47 ? 44 PRO B CG 1 ATOM 1637 C CD . PRO B 1 44 ? -25.972 43.343 -44.619 1.00 47.76 ? 44 PRO B CD 1 ATOM 1638 N N . PRO B 1 45 ? -22.229 42.312 -46.905 1.00 43.63 ? 45 PRO B N 1 ATOM 1639 C CA . PRO B 1 45 ? -20.893 41.926 -46.429 1.00 41.20 ? 45 PRO B CA 1 ATOM 1640 C C . PRO B 1 45 ? -20.495 42.744 -45.197 1.00 39.81 ? 45 PRO B C 1 ATOM 1641 O O . PRO B 1 45 ? -20.568 43.980 -45.226 1.00 41.12 ? 45 PRO B O 1 ATOM 1642 C CB . PRO B 1 45 ? -19.992 42.287 -47.609 1.00 41.55 ? 45 PRO B CB 1 ATOM 1643 C CG . PRO B 1 45 ? -20.898 42.217 -48.804 1.00 44.24 ? 45 PRO B CG 1 ATOM 1644 C CD . PRO B 1 45 ? -22.223 42.717 -48.321 1.00 44.64 ? 45 PRO B CD 1 ATOM 1645 N N . ARG B 1 46 ? -20.095 42.063 -44.124 1.00 36.66 ? 46 ARG B N 1 ATOM 1646 C CA . ARG B 1 46 ? -19.724 42.729 -42.884 1.00 35.10 ? 46 ARG B CA 1 ATOM 1647 C C . ARG B 1 46 ? -18.332 42.224 -42.482 1.00 32.73 ? 46 ARG B C 1 ATOM 1648 O O . ARG B 1 46 ? -17.992 41.081 -42.779 1.00 30.22 ? 46 ARG B O 1 ATOM 1649 C CB . ARG B 1 46 ? -20.758 42.413 -41.784 1.00 35.73 ? 46 ARG B CB 1 ATOM 1650 C CG . ARG B 1 46 ? -21.783 43.546 -41.540 1.00 40.21 ? 46 ARG B CG 1 ATOM 1651 C CD . ARG B 1 46 ? -23.261 43.102 -41.497 1.00 43.90 ? 46 ARG B CD 1 ATOM 1652 N NE . ARG B 1 46 ? -23.516 41.844 -40.779 1.00 43.64 ? 46 ARG B NE 1 ATOM 1653 C CZ . ARG B 1 46 ? -23.957 40.731 -41.370 1.00 43.62 ? 46 ARG B CZ 1 ATOM 1654 N NH1 . ARG B 1 46 ? -24.181 40.720 -42.683 1.00 42.97 ? 46 ARG B NH1 1 ATOM 1655 N NH2 . ARG B 1 46 ? -24.189 39.634 -40.657 1.00 42.38 ? 46 ARG B NH2 1 ATOM 1656 N N . ILE B 1 47 ? -17.549 43.088 -41.828 1.00 31.98 ? 47 ILE B N 1 ATOM 1657 C CA . ILE B 1 47 ? -16.131 42.823 -41.492 1.00 31.15 ? 47 ILE B CA 1 ATOM 1658 C C . ILE B 1 47 ? -15.906 41.595 -40.574 1.00 29.36 ? 47 ILE B C 1 ATOM 1659 O O . ILE B 1 47 ? -14.886 40.895 -40.667 1.00 28.97 ? 47 ILE B O 1 ATOM 1660 C CB . ILE B 1 47 ? -15.428 44.111 -40.970 1.00 31.63 ? 47 ILE B CB 1 ATOM 1661 C CG1 . ILE B 1 47 ? -13.914 43.990 -41.067 1.00 32.64 ? 47 ILE B CG1 1 ATOM 1662 C CG2 . ILE B 1 47 ? -15.913 44.522 -39.566 1.00 32.87 ? 47 ILE B CG2 1 ATOM 1663 C CD1 . ILE B 1 47 ? -13.200 45.323 -41.157 1.00 32.40 ? 47 ILE B CD1 1 ATOM 1664 N N . GLY B 1 48 ? -16.867 41.346 -39.699 1.00 28.81 ? 48 GLY B N 1 ATOM 1665 C CA . GLY B 1 48 ? -16.860 40.136 -38.892 1.00 26.89 ? 48 GLY B CA 1 ATOM 1666 C C . GLY B 1 48 ? -16.261 40.406 -37.531 1.00 26.20 ? 48 GLY B C 1 ATOM 1667 O O . GLY B 1 48 ? -16.372 41.518 -37.012 1.00 27.19 ? 48 GLY B O 1 ATOM 1668 N N . VAL B 1 49 ? -15.647 39.380 -36.944 1.00 24.30 ? 49 VAL B N 1 ATOM 1669 C CA . VAL B 1 49 ? -15.121 39.466 -35.581 1.00 22.87 ? 49 VAL B CA 1 ATOM 1670 C C . VAL B 1 49 ? -13.608 39.157 -35.617 1.00 22.47 ? 49 VAL B C 1 ATOM 1671 O O . VAL B 1 49 ? -13.222 38.201 -36.269 1.00 22.47 ? 49 VAL B O 1 ATOM 1672 C CB . VAL B 1 49 ? -15.834 38.455 -34.655 1.00 21.68 ? 49 VAL B CB 1 ATOM 1673 C CG1 . VAL B 1 49 ? -15.415 38.673 -33.200 1.00 20.34 ? 49 VAL B CG1 1 ATOM 1674 C CG2 . VAL B 1 49 ? -17.394 38.557 -34.795 1.00 21.37 ? 49 VAL B CG2 1 ATOM 1675 N N . PRO B 1 50 ? -12.764 39.940 -34.899 1.00 22.34 ? 50 PRO B N 1 ATOM 1676 C CA . PRO B 1 50 ? -11.338 39.643 -35.068 1.00 20.91 ? 50 PRO B CA 1 ATOM 1677 C C . PRO B 1 50 ? -10.872 38.324 -34.438 1.00 20.39 ? 50 PRO B C 1 ATOM 1678 O O . PRO B 1 50 ? -11.604 37.697 -33.630 1.00 19.17 ? 50 PRO B O 1 ATOM 1679 C CB . PRO B 1 50 ? -10.632 40.860 -34.426 1.00 21.99 ? 50 PRO B CB 1 ATOM 1680 C CG . PRO B 1 50 ? -11.616 41.587 -33.673 1.00 23.75 ? 50 PRO B CG 1 ATOM 1681 C CD . PRO B 1 50 ? -12.990 41.124 -34.038 1.00 23.62 ? 50 PRO B CD 1 ATOM 1682 N N . VAL B 1 51 ? -9.667 37.916 -34.850 1.00 19.29 ? 51 VAL B N 1 ATOM 1683 C CA . VAL B 1 51 ? -8.910 36.858 -34.228 1.00 17.07 ? 51 VAL B CA 1 ATOM 1684 C C . VAL B 1 51 ? -7.514 37.317 -33.797 1.00 17.37 ? 51 VAL B C 1 ATOM 1685 O O . VAL B 1 51 ? -6.996 38.358 -34.243 1.00 17.83 ? 51 VAL B O 1 ATOM 1686 C CB . VAL B 1 51 ? -8.834 35.623 -35.160 1.00 15.76 ? 51 VAL B CB 1 ATOM 1687 C CG1 . VAL B 1 51 ? -10.254 35.254 -35.579 1.00 16.75 ? 51 VAL B CG1 1 ATOM 1688 C CG2 . VAL B 1 51 ? -7.982 35.916 -36.452 1.00 15.09 ? 51 VAL B CG2 1 ATOM 1689 N N . ILE B 1 52 ? -6.913 36.523 -32.928 1.00 16.79 ? 52 ILE B N 1 ATOM 1690 C CA . ILE B 1 52 ? -5.543 36.714 -32.482 1.00 16.91 ? 52 ILE B CA 1 ATOM 1691 C C . ILE B 1 52 ? -4.741 35.447 -32.780 1.00 16.10 ? 52 ILE B C 1 ATOM 1692 O O . ILE B 1 52 ? -5.183 34.304 -32.518 1.00 15.45 ? 52 ILE B O 1 ATOM 1693 C CB . ILE B 1 52 ? -5.449 37.104 -30.962 1.00 17.79 ? 52 ILE B CB 1 ATOM 1694 C CG1 . ILE B 1 52 ? -5.961 38.570 -30.743 1.00 18.59 ? 52 ILE B CG1 1 ATOM 1695 C CG2 . ILE B 1 52 ? -3.998 36.943 -30.469 1.00 17.75 ? 52 ILE B CG2 1 ATOM 1696 C CD1 . ILE B 1 52 ? -6.339 38.866 -29.273 1.00 20.53 ? 52 ILE B CD1 1 ATOM 1697 N N . PHE B 1 53 ? -3.549 35.649 -33.343 1.00 14.75 ? 53 PHE B N 1 ATOM 1698 C CA . PHE B 1 53 ? -2.622 34.529 -33.592 1.00 15.60 ? 53 PHE B CA 1 ATOM 1699 C C . PHE B 1 53 ? -1.575 34.358 -32.500 1.00 15.54 ? 53 PHE B C 1 ATOM 1700 O O . PHE B 1 53 ? -0.907 35.320 -32.120 1.00 18.56 ? 53 PHE B O 1 ATOM 1701 C CB . PHE B 1 53 ? -1.926 34.733 -34.949 1.00 15.37 ? 53 PHE B CB 1 ATOM 1702 C CG . PHE B 1 53 ? -2.913 34.880 -36.096 1.00 17.48 ? 53 PHE B CG 1 ATOM 1703 C CD1 . PHE B 1 53 ? -3.622 33.797 -36.571 1.00 16.83 ? 53 PHE B CD1 1 ATOM 1704 C CD2 . PHE B 1 53 ? -3.144 36.134 -36.654 1.00 16.01 ? 53 PHE B CD2 1 ATOM 1705 C CE1 . PHE B 1 53 ? -4.565 33.938 -37.618 1.00 17.01 ? 53 PHE B CE1 1 ATOM 1706 C CE2 . PHE B 1 53 ? -4.078 36.307 -37.698 1.00 19.60 ? 53 PHE B CE2 1 ATOM 1707 C CZ . PHE B 1 53 ? -4.783 35.222 -38.172 1.00 17.45 ? 53 PHE B CZ 1 ATOM 1708 N N . THR B 1 54 ? -1.386 33.100 -32.057 1.00 17.26 ? 54 THR B N 1 ATOM 1709 C CA . THR B 1 54 ? -0.347 32.784 -31.083 1.00 19.55 ? 54 THR B CA 1 ATOM 1710 C C . THR B 1 54 ? 0.557 31.683 -31.620 1.00 18.19 ? 54 THR B C 1 ATOM 1711 O O . THR B 1 54 ? 0.166 30.524 -31.664 1.00 20.54 ? 54 THR B O 1 ATOM 1712 C CB . THR B 1 54 ? -0.972 32.323 -29.726 1.00 19.99 ? 54 THR B CB 1 ATOM 1713 O OG1 . THR B 1 54 ? -1.939 33.288 -29.310 1.00 23.96 ? 54 THR B OG1 1 ATOM 1714 C CG2 . THR B 1 54 ? 0.131 32.300 -28.658 1.00 22.11 ? 54 THR B CG2 1 ATOM 1715 N N . PRO B 1 55 ? 1.787 32.042 -32.028 1.00 20.15 ? 55 PRO B N 1 ATOM 1716 C CA . PRO B 1 55 ? 2.724 31.081 -32.588 1.00 20.30 ? 55 PRO B CA 1 ATOM 1717 C C . PRO B 1 55 ? 3.018 30.018 -31.543 1.00 21.82 ? 55 PRO B C 1 ATOM 1718 O O . PRO B 1 55 ? 3.008 30.325 -30.338 1.00 21.38 ? 55 PRO B O 1 ATOM 1719 C CB . PRO B 1 55 ? 3.950 31.925 -32.870 1.00 21.72 ? 55 PRO B CB 1 ATOM 1720 C CG . PRO B 1 55 ? 3.383 33.267 -33.156 1.00 20.97 ? 55 PRO B CG 1 ATOM 1721 C CD . PRO B 1 55 ? 2.308 33.413 -32.098 1.00 18.51 ? 55 PRO B CD 1 ATOM 1722 N N . GLN B 1 56 ? 3.261 28.789 -31.995 1.00 21.74 ? 56 GLN B N 1 ATOM 1723 C CA . GLN B 1 56 ? 3.730 27.720 -31.114 1.00 24.52 ? 56 GLN B CA 1 ATOM 1724 C C . GLN B 1 56 ? 5.001 28.167 -30.399 1.00 26.35 ? 56 GLN B C 1 ATOM 1725 O O . GLN B 1 56 ? 5.170 27.913 -29.205 1.00 26.87 ? 56 GLN B O 1 ATOM 1726 C CB . GLN B 1 56 ? 3.996 26.450 -31.917 1.00 24.52 ? 56 GLN B CB 1 ATOM 1727 C CG . GLN B 1 56 ? 4.607 25.314 -31.123 1.00 25.59 ? 56 GLN B CG 1 ATOM 1728 C CD . GLN B 1 56 ? 4.658 24.037 -31.886 1.00 27.47 ? 56 GLN B CD 1 ATOM 1729 O OE1 . GLN B 1 56 ? 4.867 24.012 -33.095 1.00 26.82 ? 56 GLN B OE1 1 ATOM 1730 N NE2 . GLN B 1 56 ? 4.461 22.957 -31.185 1.00 27.89 ? 56 GLN B NE2 1 ATOM 1731 N N . ASN B 1 57 ? 5.874 28.842 -31.133 1.00 27.93 ? 57 ASN B N 1 ATOM 1732 C CA . ASN B 1 57 ? 7.092 29.391 -30.546 1.00 31.62 ? 57 ASN B CA 1 ATOM 1733 C C . ASN B 1 57 ? 6.733 30.643 -29.778 1.00 31.69 ? 57 ASN B C 1 ATOM 1734 O O . ASN B 1 57 ? 6.531 31.707 -30.360 1.00 30.38 ? 57 ASN B O 1 ATOM 1735 C CB . ASN B 1 57 ? 8.125 29.676 -31.639 1.00 32.96 ? 57 ASN B CB 1 ATOM 1736 C CG . ASN B 1 57 ? 9.459 30.150 -31.088 1.00 38.70 ? 57 ASN B CG 1 ATOM 1737 O OD1 . ASN B 1 57 ? 9.538 30.728 -29.995 1.00 40.66 ? 57 ASN B OD1 1 ATOM 1738 N ND2 . ASN B 1 57 ? 10.530 29.899 -31.865 1.00 45.38 ? 57 ASN B ND2 1 ATOM 1739 N N . SER B 1 58 ? 6.630 30.488 -28.464 1.00 33.32 ? 58 SER B N 1 ATOM 1740 C CA . SER B 1 58 ? 6.212 31.553 -27.557 1.00 35.35 ? 58 SER B CA 1 ATOM 1741 C C . SER B 1 58 ? 7.123 32.761 -27.607 1.00 36.35 ? 58 SER B C 1 ATOM 1742 O O . SER B 1 58 ? 6.706 33.855 -27.227 1.00 36.57 ? 58 SER B O 1 ATOM 1743 C CB . SER B 1 58 ? 6.229 31.049 -26.113 1.00 35.98 ? 58 SER B CB 1 ATOM 1744 O OG . SER B 1 58 ? 5.538 29.825 -26.040 1.00 39.51 ? 58 SER B OG 1 ATOM 1745 N N . SER B 1 59 ? 8.363 32.576 -28.063 1.00 37.08 ? 59 SER B N 1 ATOM 1746 C CA . SER B 1 59 ? 9.317 33.684 -28.010 1.00 38.67 ? 59 SER B CA 1 ATOM 1747 C C . SER B 1 59 ? 9.088 34.758 -29.108 1.00 37.70 ? 59 SER B C 1 ATOM 1748 O O . SER B 1 59 ? 9.684 35.832 -29.058 1.00 38.14 ? 59 SER B O 1 ATOM 1749 C CB . SER B 1 59 ? 10.780 33.178 -27.921 1.00 40.07 ? 59 SER B CB 1 ATOM 1750 O OG . SER B 1 59 ? 11.186 32.462 -29.090 1.00 42.24 ? 59 SER B OG 1 ATOM 1751 N N . LEU B 1 60 ? 8.192 34.491 -30.068 1.00 35.43 ? 60 LEU B N 1 ATOM 1752 C CA . LEU B 1 60 ? 8.120 35.347 -31.276 1.00 34.53 ? 60 LEU B CA 1 ATOM 1753 C C . LEU B 1 60 ? 7.114 36.485 -31.223 1.00 33.48 ? 60 LEU B C 1 ATOM 1754 O O . LEU B 1 60 ? 5.926 36.249 -30.972 1.00 33.15 ? 60 LEU B O 1 ATOM 1755 C CB . LEU B 1 60 ? 7.898 34.496 -32.531 1.00 33.52 ? 60 LEU B CB 1 ATOM 1756 C CG . LEU B 1 60 ? 8.890 33.348 -32.754 1.00 34.88 ? 60 LEU B CG 1 ATOM 1757 C CD1 . LEU B 1 60 ? 8.408 32.452 -33.859 1.00 35.53 ? 60 LEU B CD1 1 ATOM 1758 C CD2 . LEU B 1 60 ? 10.296 33.885 -33.082 1.00 37.01 ? 60 LEU B CD2 1 ATOM 1759 N N . LYS B 1 61 ? 7.583 37.711 -31.483 1.00 33.13 ? 61 LYS B N 1 ATOM 1760 C CA . LYS B 1 61 ? 6.719 38.907 -31.588 1.00 32.11 ? 61 LYS B CA 1 ATOM 1761 C C . LYS B 1 61 ? 6.020 39.028 -32.958 1.00 30.24 ? 61 LYS B C 1 ATOM 1762 O O . LYS B 1 61 ? 4.933 39.608 -33.084 1.00 29.01 ? 61 LYS B O 1 ATOM 1763 C CB . LYS B 1 61 ? 7.531 40.171 -31.316 1.00 35.12 ? 61 LYS B CB 1 ATOM 1764 C CG . LYS B 1 61 ? 8.026 40.298 -29.856 1.00 38.56 ? 61 LYS B CG 1 ATOM 1765 C CD . LYS B 1 61 ? 9.330 41.071 -29.802 1.00 45.55 ? 61 LYS B CD 1 ATOM 1766 C CE . LYS B 1 61 ? 9.096 42.563 -29.960 1.00 49.75 ? 61 LYS B CE 1 ATOM 1767 N NZ . LYS B 1 61 ? 8.731 43.210 -28.661 1.00 54.17 ? 61 LYS B NZ 1 ATOM 1768 N N . VAL B 1 62 ? 6.650 38.479 -33.988 1.00 28.44 ? 62 VAL B N 1 ATOM 1769 C CA . VAL B 1 62 ? 6.072 38.479 -35.332 1.00 27.14 ? 62 VAL B CA 1 ATOM 1770 C C . VAL B 1 62 ? 5.642 37.055 -35.630 1.00 25.85 ? 62 VAL B C 1 ATOM 1771 O O . VAL B 1 62 ? 6.397 36.107 -35.371 1.00 25.87 ? 62 VAL B O 1 ATOM 1772 C CB . VAL B 1 62 ? 7.106 38.980 -36.393 1.00 27.61 ? 62 VAL B CB 1 ATOM 1773 C CG1 . VAL B 1 62 ? 6.545 38.805 -37.810 1.00 27.03 ? 62 VAL B CG1 1 ATOM 1774 C CG2 . VAL B 1 62 ? 7.450 40.457 -36.120 1.00 28.99 ? 62 VAL B CG2 1 ATOM 1775 N N . VAL B 1 63 ? 4.428 36.884 -36.143 1.00 24.51 ? 63 VAL B N 1 ATOM 1776 C CA . VAL B 1 63 ? 3.935 35.541 -36.503 1.00 24.79 ? 63 VAL B CA 1 ATOM 1777 C C . VAL B 1 63 ? 4.700 35.056 -37.738 1.00 24.65 ? 63 VAL B C 1 ATOM 1778 O O . VAL B 1 63 ? 4.695 35.767 -38.769 1.00 25.46 ? 63 VAL B O 1 ATOM 1779 C CB . VAL B 1 63 ? 2.393 35.596 -36.788 1.00 24.40 ? 63 VAL B CB 1 ATOM 1780 C CG1 . VAL B 1 63 ? 1.858 34.236 -37.234 1.00 24.93 ? 63 VAL B CG1 1 ATOM 1781 C CG2 . VAL B 1 63 ? 1.663 36.137 -35.539 1.00 22.83 ? 63 VAL B CG2 1 ATOM 1782 N N . PRO B 1 64 ? 5.396 33.895 -37.629 1.00 24.67 ? 64 PRO B N 1 ATOM 1783 C CA . PRO B 1 64 ? 6.120 33.264 -38.725 1.00 24.02 ? 64 PRO B CA 1 ATOM 1784 C C . PRO B 1 64 ? 5.103 32.605 -39.692 1.00 23.32 ? 64 PRO B C 1 ATOM 1785 O O . PRO B 1 64 ? 4.091 32.013 -39.248 1.00 23.05 ? 64 PRO B O 1 ATOM 1786 C CB . PRO B 1 64 ? 6.976 32.205 -38.020 1.00 24.81 ? 64 PRO B CB 1 ATOM 1787 C CG . PRO B 1 64 ? 6.231 31.881 -36.774 1.00 25.95 ? 64 PRO B CG 1 ATOM 1788 C CD . PRO B 1 64 ? 5.377 33.048 -36.415 1.00 23.97 ? 64 PRO B CD 1 ATOM 1789 N N . LEU B 1 65 ? 5.357 32.746 -40.993 1.00 21.60 ? 65 LEU B N 1 ATOM 1790 C CA . LEU B 1 65 ? 4.541 32.106 -42.016 1.00 20.81 ? 65 LEU B CA 1 ATOM 1791 C C . LEU B 1 65 ? 4.975 30.677 -42.021 1.00 20.55 ? 65 LEU B C 1 ATOM 1792 O O . LEU B 1 65 ? 6.140 30.359 -41.673 1.00 22.20 ? 65 LEU B O 1 ATOM 1793 C CB . LEU B 1 65 ? 4.826 32.712 -43.395 1.00 20.52 ? 65 LEU B CB 1 ATOM 1794 C CG . LEU B 1 65 ? 4.362 34.159 -43.543 1.00 21.76 ? 65 LEU B CG 1 ATOM 1795 C CD1 . LEU B 1 65 ? 4.849 34.815 -44.859 1.00 25.57 ? 65 LEU B CD1 1 ATOM 1796 C CD2 . LEU B 1 65 ? 2.855 34.222 -43.408 1.00 23.00 ? 65 LEU B CD2 1 ATOM 1797 N N . SER B 1 66 ? 4.043 29.815 -42.371 1.00 20.48 ? 66 SER B N 1 ATOM 1798 C CA . SER B 1 66 ? 4.281 28.384 -42.568 1.00 19.76 ? 66 SER B CA 1 ATOM 1799 C C . SER B 1 66 ? 4.788 27.720 -41.285 1.00 21.09 ? 66 SER B C 1 ATOM 1800 O O . SER B 1 66 ? 5.545 26.743 -41.326 1.00 20.87 ? 66 SER B O 1 ATOM 1801 C CB . SER B 1 66 ? 5.234 28.162 -43.774 1.00 21.98 ? 66 SER B CB 1 ATOM 1802 O OG . SER B 1 66 ? 4.596 28.594 -44.972 1.00 23.91 ? 66 SER B OG 1 ATOM 1803 N N . HIS B 1 67 ? 4.375 28.261 -40.144 1.00 19.89 ? 67 HIS B N 1 ATOM 1804 C CA . HIS B 1 67 ? 4.706 27.688 -38.821 1.00 20.77 ? 67 HIS B CA 1 ATOM 1805 C C . HIS B 1 67 ? 3.476 27.544 -37.920 1.00 18.22 ? 67 HIS B C 1 ATOM 1806 O O . HIS B 1 67 ? 2.514 28.312 -38.030 1.00 17.95 ? 67 HIS B O 1 ATOM 1807 C CB . HIS B 1 67 ? 5.822 28.484 -38.134 1.00 22.12 ? 67 HIS B CB 1 ATOM 1808 C CG . HIS B 1 67 ? 7.177 28.167 -38.682 1.00 26.16 ? 67 HIS B CG 1 ATOM 1809 N ND1 . HIS B 1 67 ? 7.942 27.129 -38.195 1.00 30.46 ? 67 HIS B ND1 1 ATOM 1810 C CD2 . HIS B 1 67 ? 7.854 28.677 -39.736 1.00 26.80 ? 67 HIS B CD2 1 ATOM 1811 C CE1 . HIS B 1 67 ? 9.061 27.047 -38.894 1.00 35.03 ? 67 HIS B CE1 1 ATOM 1812 N NE2 . HIS B 1 67 ? 9.031 27.971 -39.839 1.00 31.13 ? 67 HIS B NE2 1 ATOM 1813 N N . ASN B 1 68 ? 3.485 26.515 -37.089 1.00 17.95 ? 68 ASN B N 1 ATOM 1814 C CA . ASN B 1 68 ? 2.343 26.187 -36.220 1.00 18.07 ? 68 ASN B CA 1 ATOM 1815 C C . ASN B 1 68 ? 1.938 27.418 -35.381 1.00 18.11 ? 68 ASN B C 1 ATOM 1816 O O . ASN B 1 68 ? 2.782 28.138 -34.816 1.00 18.85 ? 68 ASN B O 1 ATOM 1817 C CB . ASN B 1 68 ? 2.692 25.011 -35.297 1.00 19.17 ? 68 ASN B CB 1 ATOM 1818 C CG . ASN B 1 68 ? 2.698 23.687 -36.007 1.00 19.89 ? 68 ASN B CG 1 ATOM 1819 O OD1 . ASN B 1 68 ? 2.049 23.519 -37.047 1.00 23.78 ? 68 ASN B OD1 1 ATOM 1820 N ND2 . ASN B 1 68 ? 3.404 22.714 -35.428 1.00 19.08 ? 68 ASN B ND2 1 ATOM 1821 N N . LEU B 1 69 ? 0.646 27.670 -35.318 1.00 17.20 ? 69 LEU B N 1 ATOM 1822 C CA . LEU B 1 69 ? 0.131 28.744 -34.456 1.00 17.24 ? 69 LEU B CA 1 ATOM 1823 C C . LEU B 1 69 ? -1.272 28.420 -33.984 1.00 16.96 ? 69 LEU B C 1 ATOM 1824 O O . LEU B 1 69 ? -1.925 27.491 -34.510 1.00 18.53 ? 69 LEU B O 1 ATOM 1825 C CB . LEU B 1 69 ? 0.189 30.094 -35.157 1.00 17.48 ? 69 LEU B CB 1 ATOM 1826 C CG . LEU B 1 69 ? -0.478 30.129 -36.535 1.00 18.22 ? 69 LEU B CG 1 ATOM 1827 C CD1 . LEU B 1 69 ? -1.995 30.038 -36.394 1.00 19.54 ? 69 LEU B CD1 1 ATOM 1828 C CD2 . LEU B 1 69 ? -0.109 31.381 -37.253 1.00 16.82 ? 69 LEU B CD2 1 ATOM 1829 N N . ASN B 1 70 ? -1.715 29.086 -32.936 1.00 15.96 ? 70 ASN B N 1 ATOM 1830 C CA . ASN B 1 70 ? -3.134 28.936 -32.526 1.00 15.50 ? 70 ASN B CA 1 ATOM 1831 C C . ASN B 1 70 ? -3.915 30.127 -32.959 1.00 15.74 ? 70 ASN B C 1 ATOM 1832 O O . ASN B 1 70 ? -3.360 31.209 -33.131 1.00 15.34 ? 70 ASN B O 1 ATOM 1833 C CB . ASN B 1 70 ? -3.294 28.786 -31.001 1.00 15.96 ? 70 ASN B CB 1 ATOM 1834 C CG . ASN B 1 70 ? -2.937 27.370 -30.494 1.00 17.45 ? 70 ASN B CG 1 ATOM 1835 O OD1 . ASN B 1 70 ? -2.697 27.176 -29.306 1.00 17.89 ? 70 ASN B OD1 1 ATOM 1836 N ND2 . ASN B 1 70 ? -2.858 26.410 -31.397 1.00 20.99 ? 70 ASN B ND2 1 ATOM 1837 N N . ILE B 1 71 ? -5.232 29.953 -33.109 1.00 14.72 ? 71 ILE B N 1 ATOM 1838 C CA . ILE B 1 71 ? -6.061 31.078 -33.492 1.00 14.37 ? 71 ILE B CA 1 ATOM 1839 C C . ILE B 1 71 ? -7.171 31.158 -32.420 1.00 14.45 ? 71 ILE B C 1 ATOM 1840 O O . ILE B 1 71 ? -7.732 30.136 -32.036 1.00 14.55 ? 71 ILE B O 1 ATOM 1841 C CB . ILE B 1 71 ? -6.754 30.799 -34.793 1.00 14.45 ? 71 ILE B CB 1 ATOM 1842 C CG1 . ILE B 1 71 ? -5.732 30.417 -35.915 1.00 14.86 ? 71 ILE B CG1 1 ATOM 1843 C CG2 . ILE B 1 71 ? -7.602 31.996 -35.151 1.00 13.12 ? 71 ILE B CG2 1 ATOM 1844 C CD1 . ILE B 1 71 ? -6.452 30.210 -37.249 1.00 11.78 ? 71 ILE B CD1 1 ATOM 1845 N N . HIS B 1 72 ? -7.462 32.335 -31.914 1.00 13.92 ? 72 HIS B N 1 ATOM 1846 C CA . HIS B 1 72 ? -8.682 32.479 -31.103 1.00 15.74 ? 72 HIS B CA 1 ATOM 1847 C C . HIS B 1 72 ? -9.439 33.721 -31.427 1.00 16.07 ? 72 HIS B C 1 ATOM 1848 O O . HIS B 1 72 ? -8.844 34.742 -31.777 1.00 17.53 ? 72 HIS B O 1 ATOM 1849 C CB . HIS B 1 72 ? -8.387 32.378 -29.589 1.00 15.48 ? 72 HIS B CB 1 ATOM 1850 C CG . HIS B 1 72 ? -7.735 33.592 -28.983 1.00 14.77 ? 72 HIS B CG 1 ATOM 1851 N ND1 . HIS B 1 72 ? -6.363 33.723 -28.862 1.00 19.78 ? 72 HIS B ND1 1 ATOM 1852 C CD2 . HIS B 1 72 ? -8.269 34.706 -28.412 1.00 18.61 ? 72 HIS B CD2 1 ATOM 1853 C CE1 . HIS B 1 72 ? -6.080 34.876 -28.268 1.00 16.00 ? 72 HIS B CE1 1 ATOM 1854 N NE2 . HIS B 1 72 ? -7.220 35.468 -27.954 1.00 15.33 ? 72 HIS B NE2 1 ATOM 1855 N N . THR B 1 73 ? -10.765 33.631 -31.328 1.00 17.49 ? 73 THR B N 1 ATOM 1856 C CA . THR B 1 73 ? -11.593 34.834 -31.473 1.00 17.98 ? 73 THR B CA 1 ATOM 1857 C C . THR B 1 73 ? -11.382 35.840 -30.370 1.00 20.03 ? 73 THR B C 1 ATOM 1858 O O . THR B 1 73 ? -11.291 35.467 -29.184 1.00 21.71 ? 73 THR B O 1 ATOM 1859 C CB . THR B 1 73 ? -13.082 34.471 -31.559 1.00 18.70 ? 73 THR B CB 1 ATOM 1860 O OG1 . THR B 1 73 ? -13.313 33.719 -32.763 1.00 20.29 ? 73 THR B OG1 1 ATOM 1861 C CG2 . THR B 1 73 ? -13.971 35.746 -31.531 1.00 15.11 ? 73 THR B CG2 1 HETATM 1862 N N . CSX B 1 74 ? -11.333 37.122 -30.777 1.00 20.50 ? 74 CSX B N 1 HETATM 1863 C CA . CSX B 1 74 ? -11.199 38.294 -29.900 1.00 23.77 ? 74 CSX B CA 1 HETATM 1864 C CB . CSX B 1 74 ? -10.085 39.259 -30.386 1.00 25.07 ? 74 CSX B CB 1 HETATM 1865 S SG . CSX B 1 74 ? -9.726 40.570 -29.307 1.00 35.42 ? 74 CSX B SG 1 HETATM 1866 C C . CSX B 1 74 ? -12.555 38.960 -29.793 1.00 23.26 ? 74 CSX B C 1 HETATM 1867 O O . CSX B 1 74 ? -13.029 39.602 -30.744 1.00 24.18 ? 74 CSX B O 1 HETATM 1868 O OD . CSX B 1 74 ? -9.443 40.298 -27.855 1.00 36.20 ? 74 CSX B OD 1 ATOM 1869 N N . SER B 1 75 ? -13.202 38.815 -28.638 1.00 22.65 ? 75 SER B N 1 ATOM 1870 C CA . SER B 1 75 ? -14.583 39.279 -28.473 1.00 22.94 ? 75 SER B CA 1 ATOM 1871 C C . SER B 1 75 ? -14.867 39.341 -26.978 1.00 23.29 ? 75 SER B C 1 ATOM 1872 O O . SER B 1 75 ? -14.588 38.382 -26.257 1.00 24.31 ? 75 SER B O 1 ATOM 1873 C CB . SER B 1 75 ? -15.539 38.274 -29.124 1.00 22.59 ? 75 SER B CB 1 ATOM 1874 O OG . SER B 1 75 ? -16.901 38.642 -28.927 1.00 26.43 ? 75 SER B OG 1 ATOM 1875 N N . ASP B 1 76 ? -15.400 40.455 -26.495 1.00 23.41 ? 76 ASP B N 1 ATOM 1876 C CA . ASP B 1 76 ? -15.796 40.512 -25.093 1.00 24.47 ? 76 ASP B CA 1 ATOM 1877 C C . ASP B 1 76 ? -17.145 39.834 -24.851 1.00 23.14 ? 76 ASP B C 1 ATOM 1878 O O . ASP B 1 76 ? -17.416 39.408 -23.753 1.00 22.95 ? 76 ASP B O 1 ATOM 1879 C CB . ASP B 1 76 ? -15.891 41.946 -24.598 1.00 25.94 ? 76 ASP B CB 1 ATOM 1880 C CG . ASP B 1 76 ? -14.557 42.651 -24.558 1.00 30.14 ? 76 ASP B CG 1 ATOM 1881 O OD1 . ASP B 1 76 ? -13.476 42.004 -24.559 1.00 29.42 ? 76 ASP B OD1 1 ATOM 1882 O OD2 . ASP B 1 76 ? -14.607 43.907 -24.490 1.00 32.18 ? 76 ASP B OD2 1 ATOM 1883 N N . LEU B 1 77 ? -18.011 39.795 -25.853 1.00 23.06 ? 77 LEU B N 1 ATOM 1884 C CA . LEU B 1 77 ? -19.245 39.009 -25.746 1.00 22.70 ? 77 LEU B CA 1 ATOM 1885 C C . LEU B 1 77 ? -18.912 37.588 -26.139 1.00 22.68 ? 77 LEU B C 1 ATOM 1886 O O . LEU B 1 77 ? -18.129 37.345 -27.083 1.00 23.21 ? 77 LEU B O 1 ATOM 1887 C CB . LEU B 1 77 ? -20.326 39.556 -26.686 1.00 24.59 ? 77 LEU B CB 1 ATOM 1888 C CG . LEU B 1 77 ? -20.984 40.890 -26.341 1.00 26.09 ? 77 LEU B CG 1 ATOM 1889 C CD1 . LEU B 1 77 ? -21.861 41.386 -27.534 1.00 30.77 ? 77 LEU B CD1 1 ATOM 1890 C CD2 . LEU B 1 77 ? -21.837 40.753 -25.080 1.00 24.79 ? 77 LEU B CD2 1 ATOM 1891 N N . TRP B 1 78 ? -19.501 36.643 -25.426 1.00 20.96 ? 78 TRP B N 1 ATOM 1892 C CA . TRP B 1 78 ? -19.348 35.226 -25.770 1.00 21.19 ? 78 TRP B CA 1 ATOM 1893 C C . TRP B 1 78 ? -20.534 34.455 -25.174 1.00 22.08 ? 78 TRP B C 1 ATOM 1894 O O . TRP B 1 78 ? -20.802 34.563 -23.976 1.00 22.02 ? 78 TRP B O 1 ATOM 1895 C CB . TRP B 1 78 ? -17.968 34.696 -25.284 1.00 20.19 ? 78 TRP B CB 1 ATOM 1896 C CG . TRP B 1 78 ? -17.529 33.420 -25.977 1.00 19.71 ? 78 TRP B CG 1 ATOM 1897 C CD1 . TRP B 1 78 ? -17.411 32.176 -25.417 1.00 18.86 ? 78 TRP B CD1 1 ATOM 1898 C CD2 . TRP B 1 78 ? -17.193 33.265 -27.364 1.00 17.12 ? 78 TRP B CD2 1 ATOM 1899 N NE1 . TRP B 1 78 ? -17.009 31.281 -26.365 1.00 19.76 ? 78 TRP B NE1 1 ATOM 1900 C CE2 . TRP B 1 78 ? -16.861 31.913 -27.565 1.00 18.62 ? 78 TRP B CE2 1 ATOM 1901 C CE3 . TRP B 1 78 ? -17.103 34.141 -28.437 1.00 15.53 ? 78 TRP B CE3 1 ATOM 1902 C CZ2 . TRP B 1 78 ? -16.473 31.405 -28.823 1.00 18.63 ? 78 TRP B CZ2 1 ATOM 1903 C CZ3 . TRP B 1 78 ? -16.737 33.644 -29.702 1.00 18.26 ? 78 TRP B CZ3 1 ATOM 1904 C CH2 . TRP B 1 78 ? -16.409 32.265 -29.869 1.00 18.14 ? 78 TRP B CH2 1 ATOM 1905 N N . PHE B 1 79 ? -21.212 33.655 -26.003 1.00 22.70 ? 79 PHE B N 1 ATOM 1906 C CA . PHE B 1 79 ? -22.519 33.088 -25.645 1.00 24.31 ? 79 PHE B CA 1 ATOM 1907 C C . PHE B 1 79 ? -22.441 31.562 -25.478 1.00 24.92 ? 79 PHE B C 1 ATOM 1908 O O . PHE B 1 79 ? -23.464 30.883 -25.296 1.00 26.63 ? 79 PHE B O 1 ATOM 1909 C CB . PHE B 1 79 ? -23.557 33.484 -26.720 1.00 25.27 ? 79 PHE B CB 1 ATOM 1910 C CG . PHE B 1 79 ? -23.851 34.956 -26.755 1.00 24.65 ? 79 PHE B CG 1 ATOM 1911 C CD1 . PHE B 1 79 ? -24.683 35.534 -25.805 1.00 25.98 ? 79 PHE B CD1 1 ATOM 1912 C CD2 . PHE B 1 79 ? -23.276 35.771 -27.729 1.00 23.62 ? 79 PHE B CD2 1 ATOM 1913 C CE1 . PHE B 1 79 ? -24.933 36.923 -25.822 1.00 26.86 ? 79 PHE B CE1 1 ATOM 1914 C CE2 . PHE B 1 79 ? -23.517 37.166 -27.750 1.00 26.69 ? 79 PHE B CE2 1 ATOM 1915 C CZ . PHE B 1 79 ? -24.352 37.722 -26.812 1.00 27.07 ? 79 PHE B CZ 1 ATOM 1916 N N . CYS B 1 80 ? -21.222 31.027 -25.573 1.00 23.24 ? 80 CYS B N 1 ATOM 1917 C CA . CYS B 1 80 ? -20.968 29.587 -25.405 1.00 23.08 ? 80 CYS B CA 1 ATOM 1918 C C . CYS B 1 80 ? -20.249 29.407 -24.095 1.00 21.55 ? 80 CYS B C 1 ATOM 1919 O O . CYS B 1 80 ? -19.455 30.257 -23.719 1.00 20.90 ? 80 CYS B O 1 ATOM 1920 C CB . CYS B 1 80 ? -19.998 29.072 -26.487 1.00 23.55 ? 80 CYS B CB 1 ATOM 1921 S SG . CYS B 1 80 ? -20.745 29.063 -28.107 1.00 32.17 ? 80 CYS B SG 1 ATOM 1922 N N . PRO B 1 81 ? -20.470 28.268 -23.428 1.00 21.22 ? 81 PRO B N 1 ATOM 1923 C CA . PRO B 1 81 ? -19.613 27.993 -22.254 1.00 20.81 ? 81 PRO B CA 1 ATOM 1924 C C . PRO B 1 81 ? -18.160 27.636 -22.643 1.00 20.06 ? 81 PRO B C 1 ATOM 1925 O O . PRO B 1 81 ? -17.234 27.849 -21.836 1.00 16.70 ? 81 PRO B O 1 ATOM 1926 C CB . PRO B 1 81 ? -20.265 26.768 -21.630 1.00 21.81 ? 81 PRO B CB 1 ATOM 1927 C CG . PRO B 1 81 ? -21.728 26.760 -22.153 1.00 24.16 ? 81 PRO B CG 1 ATOM 1928 C CD . PRO B 1 81 ? -21.587 27.303 -23.553 1.00 20.81 ? 81 PRO B CD 1 ATOM 1929 N N . GLU B 1 82 ? -17.996 27.089 -23.862 1.00 20.00 ? 82 GLU B N 1 ATOM 1930 C CA . GLU B 1 82 ? -16.699 26.596 -24.399 1.00 19.83 ? 82 GLU B CA 1 ATOM 1931 C C . GLU B 1 82 ? -15.786 27.765 -24.768 1.00 19.67 ? 82 GLU B C 1 ATOM 1932 O O . GLU B 1 82 ? -16.222 28.897 -24.799 1.00 20.09 ? 82 GLU B O 1 ATOM 1933 C CB . GLU B 1 82 ? -16.930 25.709 -25.635 1.00 20.20 ? 82 GLU B CB 1 ATOM 1934 C CG . GLU B 1 82 ? -17.730 24.454 -25.291 1.00 22.48 ? 82 GLU B CG 1 ATOM 1935 C CD . GLU B 1 82 ? -19.250 24.616 -25.482 1.00 26.60 ? 82 GLU B CD 1 ATOM 1936 O OE1 . GLU B 1 82 ? -19.762 25.763 -25.660 1.00 24.43 ? 82 GLU B OE1 1 ATOM 1937 O OE2 . GLU B 1 82 ? -19.931 23.556 -25.487 1.00 25.66 ? 82 GLU B OE2 1 ATOM 1938 N N . SER B 1 83 ? -14.512 27.470 -25.019 1.00 19.26 ? 83 SER B N 1 ATOM 1939 C CA . SER B 1 83 ? -13.519 28.506 -25.337 1.00 18.52 ? 83 SER B CA 1 ATOM 1940 C C . SER B 1 83 ? -13.700 29.220 -26.678 1.00 17.51 ? 83 SER B C 1 ATOM 1941 O O . SER B 1 83 ? -14.527 28.784 -27.524 1.00 17.85 ? 83 SER B O 1 ATOM 1942 C CB . SER B 1 83 ? -12.145 27.825 -25.377 1.00 18.27 ? 83 SER B CB 1 ATOM 1943 O OG . SER B 1 83 ? -11.949 27.256 -26.658 1.00 17.35 ? 83 SER B OG 1 ATOM 1944 N N . LYS B 1 84 ? -12.953 30.339 -26.860 1.00 17.51 ? 84 LYS B N 1 ATOM 1945 C CA . LYS B 1 84 ? -12.872 31.106 -28.135 1.00 16.02 ? 84 LYS B CA 1 ATOM 1946 C C . LYS B 1 84 ? -11.848 30.566 -29.133 1.00 16.27 ? 84 LYS B C 1 ATOM 1947 O O . LYS B 1 84 ? -11.674 31.123 -30.228 1.00 16.10 ? 84 LYS B O 1 ATOM 1948 C CB . LYS B 1 84 ? -12.546 32.580 -27.833 1.00 16.23 ? 84 LYS B CB 1 ATOM 1949 C CG . LYS B 1 84 ? -13.634 33.182 -26.996 1.00 16.77 ? 84 LYS B CG 1 ATOM 1950 C CD . LYS B 1 84 ? -13.215 34.521 -26.532 1.00 18.40 ? 84 LYS B CD 1 ATOM 1951 C CE . LYS B 1 84 ? -14.201 35.061 -25.556 1.00 19.58 ? 84 LYS B CE 1 ATOM 1952 N NZ . LYS B 1 84 ? -13.517 36.250 -24.992 1.00 19.98 ? 84 LYS B NZ 1 ATOM 1953 N N . ILE B 1 85 ? -11.203 29.461 -28.767 1.00 15.64 ? 85 ILE B N 1 ATOM 1954 C CA . ILE B 1 85 ? -9.989 28.988 -29.447 1.00 18.06 ? 85 ILE B CA 1 ATOM 1955 C C . ILE B 1 85 ? -10.369 28.073 -30.623 1.00 17.48 ? 85 ILE B C 1 ATOM 1956 O O . ILE B 1 85 ? -11.229 27.185 -30.479 1.00 17.57 ? 85 ILE B O 1 ATOM 1957 C CB . ILE B 1 85 ? -9.071 28.244 -28.446 1.00 17.52 ? 85 ILE B CB 1 ATOM 1958 C CG1 . ILE B 1 85 ? -8.652 29.216 -27.336 1.00 19.05 ? 85 ILE B CG1 1 ATOM 1959 C CG2 . ILE B 1 85 ? -7.859 27.565 -29.159 1.00 17.27 ? 85 ILE B CG2 1 ATOM 1960 C CD1 . ILE B 1 85 ? -8.375 28.576 -26.002 1.00 20.81 ? 85 ILE B CD1 1 ATOM 1961 N N . TRP B 1 86 ? -9.746 28.288 -31.778 1.00 16.70 ? 86 TRP B N 1 ATOM 1962 C CA . TRP B 1 86 ? -10.158 27.537 -32.965 1.00 16.99 ? 86 TRP B CA 1 ATOM 1963 C C . TRP B 1 86 ? -9.596 26.129 -32.980 1.00 17.92 ? 86 TRP B C 1 ATOM 1964 O O . TRP B 1 86 ? -8.493 25.863 -32.502 1.00 16.72 ? 86 TRP B O 1 ATOM 1965 C CB . TRP B 1 86 ? -9.761 28.232 -34.243 1.00 17.29 ? 86 TRP B CB 1 ATOM 1966 C CG . TRP B 1 86 ? -10.488 29.540 -34.479 1.00 16.64 ? 86 TRP B CG 1 ATOM 1967 C CD1 . TRP B 1 86 ? -11.163 30.298 -33.552 1.00 20.61 ? 86 TRP B CD1 1 ATOM 1968 C CD2 . TRP B 1 86 ? -10.677 30.181 -35.731 1.00 20.04 ? 86 TRP B CD2 1 ATOM 1969 N NE1 . TRP B 1 86 ? -11.733 31.401 -34.144 1.00 17.48 ? 86 TRP B NE1 1 ATOM 1970 C CE2 . TRP B 1 86 ? -11.437 31.368 -35.486 1.00 17.39 ? 86 TRP B CE2 1 ATOM 1971 C CE3 . TRP B 1 86 ? -10.260 29.893 -37.046 1.00 19.10 ? 86 TRP B CE3 1 ATOM 1972 C CZ2 . TRP B 1 86 ? -11.823 32.232 -36.516 1.00 19.35 ? 86 TRP B CZ2 1 ATOM 1973 C CZ3 . TRP B 1 86 ? -10.626 30.789 -38.077 1.00 21.56 ? 86 TRP B CZ3 1 ATOM 1974 C CH2 . TRP B 1 86 ? -11.359 31.952 -37.794 1.00 18.99 ? 86 TRP B CH2 1 ATOM 1975 N N . THR B 1 87 ? -10.377 25.249 -33.572 1.00 19.14 ? 87 THR B N 1 ATOM 1976 C CA . THR B 1 87 ? -9.989 23.847 -33.728 1.00 19.89 ? 87 THR B CA 1 ATOM 1977 C C . THR B 1 87 ? -10.738 23.282 -34.929 1.00 21.99 ? 87 THR B C 1 ATOM 1978 O O . THR B 1 87 ? -11.392 24.032 -35.664 1.00 20.65 ? 87 THR B O 1 ATOM 1979 C CB . THR B 1 87 ? -10.296 23.048 -32.437 1.00 21.36 ? 87 THR B CB 1 ATOM 1980 O OG1 . THR B 1 87 ? -9.850 21.694 -32.593 1.00 23.59 ? 87 THR B OG1 1 ATOM 1981 C CG2 . THR B 1 87 ? -11.806 23.074 -32.081 1.00 22.73 ? 87 THR B CG2 1 ATOM 1982 N N . VAL B 1 88 ? -10.629 21.970 -35.131 1.00 21.48 ? 88 VAL B N 1 ATOM 1983 C CA . VAL B 1 88 ? -11.377 21.293 -36.182 1.00 24.54 ? 88 VAL B CA 1 ATOM 1984 C C . VAL B 1 88 ? -12.116 20.102 -35.572 1.00 25.48 ? 88 VAL B C 1 ATOM 1985 O O . VAL B 1 88 ? -11.557 19.371 -34.763 1.00 25.78 ? 88 VAL B O 1 ATOM 1986 C CB . VAL B 1 88 ? -10.420 20.907 -37.381 1.00 24.74 ? 88 VAL B CB 1 ATOM 1987 C CG1 . VAL B 1 88 ? -11.048 19.864 -38.280 1.00 27.16 ? 88 VAL B CG1 1 ATOM 1988 C CG2 . VAL B 1 88 ? -10.005 22.197 -38.163 1.00 22.82 ? 88 VAL B CG2 1 ATOM 1989 N N . LYS B 1 89 ? -13.382 19.928 -35.956 1.00 26.90 ? 89 LYS B N 1 ATOM 1990 C CA . LYS B 1 89 ? -14.172 18.768 -35.520 1.00 29.16 ? 89 LYS B CA 1 ATOM 1991 C C . LYS B 1 89 ? -14.790 18.027 -36.708 1.00 30.97 ? 89 LYS B C 1 ATOM 1992 O O . LYS B 1 89 ? -15.029 18.638 -37.743 1.00 30.50 ? 89 LYS B O 1 ATOM 1993 C CB . LYS B 1 89 ? -15.284 19.213 -34.555 1.00 29.35 ? 89 LYS B CB 1 ATOM 1994 C CG . LYS B 1 89 ? -14.772 19.806 -33.228 1.00 29.65 ? 89 LYS B CG 1 ATOM 1995 C CD . LYS B 1 89 ? -15.938 20.110 -32.285 1.00 31.22 ? 89 LYS B CD 1 ATOM 1996 C CE . LYS B 1 89 ? -15.485 20.967 -31.118 1.00 28.91 ? 89 LYS B CE 1 ATOM 1997 N NZ . LYS B 1 89 ? -16.609 21.242 -30.153 1.00 31.95 ? 89 LYS B NZ 1 ATOM 1998 N N . SER B 1 90 ? -15.059 16.722 -36.532 1.00 33.06 ? 90 SER B N 1 ATOM 1999 C CA . SER B 1 90 ? -15.833 15.927 -37.489 1.00 35.98 ? 90 SER B CA 1 ATOM 2000 C C . SER B 1 90 ? -17.321 16.223 -37.383 1.00 37.16 ? 90 SER B C 1 ATOM 2001 O O . SER B 1 90 ? -17.866 16.317 -36.277 1.00 37.23 ? 90 SER B O 1 ATOM 2002 C CB . SER B 1 90 ? -15.624 14.429 -37.245 1.00 37.42 ? 90 SER B CB 1 ATOM 2003 O OG . SER B 1 90 ? -14.381 14.021 -37.785 1.00 39.53 ? 90 SER B OG 1 ATOM 2004 N N . SER B 1 91 ? -17.991 16.327 -38.532 1.00 38.69 ? 91 SER B N 1 ATOM 2005 C CA . SER B 1 91 ? -19.434 16.536 -38.546 1.00 39.54 ? 91 SER B CA 1 ATOM 2006 C C . SER B 1 91 ? -20.114 15.679 -39.614 1.00 41.26 ? 91 SER B C 1 ATOM 2007 O O . SER B 1 91 ? -19.712 15.722 -40.769 1.00 41.16 ? 91 SER B O 1 ATOM 2008 C CB . SER B 1 91 ? -19.749 18.024 -38.755 1.00 38.40 ? 91 SER B CB 1 ATOM 2009 O OG . SER B 1 91 ? -21.153 18.205 -38.859 1.00 40.23 ? 91 SER B OG 1 ATOM 2010 N N . SER B 1 92 ? -21.139 14.909 -39.232 1.00 42.94 ? 92 SER B N 1 ATOM 2011 C CA . SER B 1 92 ? -21.914 14.127 -40.209 1.00 45.51 ? 92 SER B CA 1 ATOM 2012 C C . SER B 1 92 ? -22.626 15.029 -41.212 1.00 45.10 ? 92 SER B C 1 ATOM 2013 O O . SER B 1 92 ? -22.437 14.883 -42.419 1.00 45.50 ? 92 SER B O 1 ATOM 2014 C CB . SER B 1 92 ? -22.927 13.187 -39.536 1.00 47.18 ? 92 SER B CB 1 ATOM 2015 O OG . SER B 1 92 ? -22.300 11.978 -39.157 1.00 49.74 ? 92 SER B OG 1 ATOM 2016 N N . ILE B 1 93 ? -23.422 15.975 -40.711 1.00 44.67 ? 93 ILE B N 1 ATOM 2017 C CA . ILE B 1 93 ? -24.241 16.809 -41.609 1.00 44.69 ? 93 ILE B CA 1 ATOM 2018 C C . ILE B 1 93 ? -23.424 17.672 -42.562 1.00 42.90 ? 93 ILE B C 1 ATOM 2019 O O . ILE B 1 93 ? -23.876 17.944 -43.664 1.00 42.87 ? 93 ILE B O 1 ATOM 2020 C CB . ILE B 1 93 ? -25.392 17.607 -40.899 1.00 44.59 ? 93 ILE B CB 1 ATOM 2021 C CG1 . ILE B 1 93 ? -24.946 18.968 -40.383 1.00 44.02 ? 93 ILE B CG1 1 ATOM 2022 C CG2 . ILE B 1 93 ? -26.110 16.746 -39.843 1.00 46.32 ? 93 ILE B CG2 1 ATOM 2023 C CD1 . ILE B 1 93 ? -26.073 20.028 -40.410 1.00 44.61 ? 93 ILE B CD1 1 ATOM 2024 N N . HIS B 1 94 ? -22.217 18.077 -42.152 1.00 40.74 ? 94 HIS B N 1 ATOM 2025 C CA . HIS B 1 94 ? -21.304 18.795 -43.058 1.00 39.88 ? 94 HIS B CA 1 ATOM 2026 C C . HIS B 1 94 ? -20.337 17.855 -43.816 1.00 40.26 ? 94 HIS B C 1 ATOM 2027 O O . HIS B 1 94 ? -19.401 18.313 -44.485 1.00 38.21 ? 94 HIS B O 1 ATOM 2028 C CB . HIS B 1 94 ? -20.556 19.912 -42.314 1.00 38.76 ? 94 HIS B CB 1 ATOM 2029 C CG . HIS B 1 94 ? -21.462 20.853 -41.588 1.00 39.92 ? 94 HIS B CG 1 ATOM 2030 N ND1 . HIS B 1 94 ? -21.998 20.559 -40.349 1.00 43.37 ? 94 HIS B ND1 1 ATOM 2031 C CD2 . HIS B 1 94 ? -21.946 22.072 -41.926 1.00 41.34 ? 94 HIS B CD2 1 ATOM 2032 C CE1 . HIS B 1 94 ? -22.764 21.561 -39.951 1.00 42.07 ? 94 HIS B CE1 1 ATOM 2033 N NE2 . HIS B 1 94 ? -22.747 22.493 -40.887 1.00 41.59 ? 94 HIS B NE2 1 ATOM 2034 N N . ARG B 1 95 ? -20.596 16.544 -43.689 1.00 41.11 ? 95 ARG B N 1 ATOM 2035 C CA . ARG B 1 95 ? -19.890 15.461 -44.405 1.00 42.38 ? 95 ARG B CA 1 ATOM 2036 C C . ARG B 1 95 ? -18.361 15.479 -44.270 1.00 40.84 ? 95 ARG B C 1 ATOM 2037 O O . ARG B 1 95 ? -17.614 15.324 -45.252 1.00 41.12 ? 95 ARG B O 1 ATOM 2038 C CB . ARG B 1 95 ? -20.359 15.367 -45.867 1.00 44.36 ? 95 ARG B CB 1 ATOM 2039 C CG . ARG B 1 95 ? -21.805 14.861 -46.003 1.00 48.58 ? 95 ARG B CG 1 ATOM 2040 C CD . ARG B 1 95 ? -22.287 14.925 -47.461 1.00 56.35 ? 95 ARG B CD 1 ATOM 2041 N NE . ARG B 1 95 ? -21.871 13.778 -48.298 1.00 62.49 ? 95 ARG B NE 1 ATOM 2042 C CZ . ARG B 1 95 ? -20.779 13.717 -49.079 1.00 63.42 ? 95 ARG B CZ 1 ATOM 2043 N NH1 . ARG B 1 95 ? -19.914 14.730 -49.156 1.00 62.27 ? 95 ARG B NH1 1 ATOM 2044 N NH2 . ARG B 1 95 ? -20.544 12.615 -49.788 1.00 65.22 ? 95 ARG B NH2 1 ATOM 2045 N N . GLY B 1 96 ? -17.907 15.687 -43.035 1.00 39.20 ? 96 GLY B N 1 ATOM 2046 C CA . GLY B 1 96 ? -16.486 15.765 -42.737 1.00 36.92 ? 96 GLY B CA 1 ATOM 2047 C C . GLY B 1 96 ? -16.078 16.903 -41.803 1.00 34.62 ? 96 GLY B C 1 ATOM 2048 O O . GLY B 1 96 ? -16.881 17.423 -41.010 1.00 33.60 ? 96 GLY B O 1 ATOM 2049 N N . LEU B 1 97 ? -14.809 17.266 -41.907 1.00 32.48 ? 97 LEU B N 1 ATOM 2050 C CA . LEU B 1 97 ? -14.180 18.231 -41.010 1.00 30.41 ? 97 LEU B CA 1 ATOM 2051 C C . LEU B 1 97 ? -14.711 19.652 -41.214 1.00 28.87 ? 97 LEU B C 1 ATOM 2052 O O . LEU B 1 97 ? -14.985 20.063 -42.343 1.00 28.60 ? 97 LEU B O 1 ATOM 2053 C CB . LEU B 1 97 ? -12.661 18.186 -41.220 1.00 30.46 ? 97 LEU B CB 1 ATOM 2054 C CG . LEU B 1 97 ? -12.038 16.795 -41.019 1.00 32.26 ? 97 LEU B CG 1 ATOM 2055 C CD1 . LEU B 1 97 ? -10.542 16.783 -41.366 1.00 33.07 ? 97 LEU B CD1 1 ATOM 2056 C CD2 . LEU B 1 97 ? -12.238 16.248 -39.595 1.00 32.77 ? 97 LEU B CD2 1 ATOM 2057 N N . VAL B 1 98 ? -14.832 20.396 -40.105 1.00 26.77 ? 98 VAL B N 1 ATOM 2058 C CA . VAL B 1 98 ? -15.199 21.830 -40.100 1.00 25.56 ? 98 VAL B CA 1 ATOM 2059 C C . VAL B 1 98 ? -14.342 22.542 -39.035 1.00 23.41 ? 98 VAL B C 1 ATOM 2060 O O . VAL B 1 98 ? -13.966 21.944 -38.045 1.00 23.32 ? 98 VAL B O 1 ATOM 2061 C CB . VAL B 1 98 ? -16.712 22.074 -39.764 1.00 25.14 ? 98 VAL B CB 1 ATOM 2062 C CG1 . VAL B 1 98 ? -17.609 21.621 -40.950 1.00 28.15 ? 98 VAL B CG1 1 ATOM 2063 C CG2 . VAL B 1 98 ? -17.130 21.301 -38.525 1.00 27.17 ? 98 VAL B CG2 1 ATOM 2064 N N . VAL B 1 99 ? -14.035 23.809 -39.264 1.00 22.47 ? 99 VAL B N 1 ATOM 2065 C CA . VAL B 1 99 ? -13.381 24.636 -38.271 1.00 21.80 ? 99 VAL B CA 1 ATOM 2066 C C . VAL B 1 99 ? -14.451 25.015 -37.240 1.00 22.49 ? 99 VAL B C 1 ATOM 2067 O O . VAL B 1 99 ? -15.609 25.310 -37.597 1.00 23.83 ? 99 VAL B O 1 ATOM 2068 C CB . VAL B 1 99 ? -12.807 25.920 -38.922 1.00 21.77 ? 99 VAL B CB 1 ATOM 2069 C CG1 . VAL B 1 99 ? -12.199 26.908 -37.866 1.00 21.07 ? 99 VAL B CG1 1 ATOM 2070 C CG2 . VAL B 1 99 ? -11.800 25.560 -40.020 1.00 18.90 ? 99 VAL B CG2 1 ATOM 2071 N N . THR B 1 100 ? -14.084 24.984 -35.967 1.00 21.11 ? 100 THR B N 1 ATOM 2072 C CA . THR B 1 100 ? -15.030 25.424 -34.943 1.00 21.20 ? 100 THR B CA 1 ATOM 2073 C C . THR B 1 100 ? -14.248 26.140 -33.875 1.00 20.01 ? 100 THR B C 1 ATOM 2074 O O . THR B 1 100 ? -12.993 26.013 -33.815 1.00 18.78 ? 100 THR B O 1 ATOM 2075 C CB . THR B 1 100 ? -15.770 24.240 -34.293 1.00 22.34 ? 100 THR B CB 1 ATOM 2076 O OG1 . THR B 1 100 ? -14.873 23.538 -33.434 1.00 23.71 ? 100 THR B OG1 1 ATOM 2077 C CG2 . THR B 1 100 ? -16.378 23.293 -35.317 1.00 23.58 ? 100 THR B CG2 1 ATOM 2078 N N . THR B 1 101 ? -14.942 26.906 -33.028 1.00 19.57 ? 101 THR B N 1 ATOM 2079 C CA . THR B 1 101 ? -14.369 27.299 -31.751 1.00 18.96 ? 101 THR B CA 1 ATOM 2080 C C . THR B 1 101 ? -14.410 26.163 -30.704 1.00 19.03 ? 101 THR B C 1 ATOM 2081 O O . THR B 1 101 ? -14.678 24.987 -31.032 1.00 19.71 ? 101 THR B O 1 ATOM 2082 C CB . THR B 1 101 ? -14.997 28.587 -31.199 1.00 19.60 ? 101 THR B CB 1 ATOM 2083 O OG1 . THR B 1 101 ? -16.362 28.330 -30.820 1.00 23.13 ? 101 THR B OG1 1 ATOM 2084 C CG2 . THR B 1 101 ? -14.975 29.650 -32.267 1.00 19.75 ? 101 THR B CG2 1 ATOM 2085 N N . GLY B 1 102 ? -14.119 26.493 -29.447 1.00 17.61 ? 102 GLY B N 1 ATOM 2086 C CA . GLY B 1 102 ? -14.263 25.574 -28.325 1.00 20.04 ? 102 GLY B CA 1 ATOM 2087 C C . GLY B 1 102 ? -13.032 24.695 -28.148 1.00 20.70 ? 102 GLY B C 1 ATOM 2088 O O . GLY B 1 102 ? -13.063 23.726 -27.390 1.00 22.21 ? 102 GLY B O 1 ATOM 2089 N N . GLY B 1 103 ? -11.932 25.067 -28.820 1.00 19.86 ? 103 GLY B N 1 ATOM 2090 C CA . GLY B 1 103 ? -10.682 24.355 -28.647 1.00 21.71 ? 103 GLY B CA 1 ATOM 2091 C C . GLY B 1 103 ? -9.929 24.613 -27.352 1.00 22.04 ? 103 GLY B C 1 ATOM 2092 O O . GLY B 1 103 ? -10.442 25.212 -26.401 1.00 22.73 ? 103 GLY B O 1 ATOM 2093 N N . THR B 1 104 ? -8.668 24.201 -27.360 1.00 22.45 ? 104 THR B N 1 ATOM 2094 C CA . THR B 1 104 ? -7.797 24.293 -26.183 1.00 22.83 ? 104 THR B CA 1 ATOM 2095 C C . THR B 1 104 ? -6.436 24.711 -26.651 1.00 22.65 ? 104 THR B C 1 ATOM 2096 O O . THR B 1 104 ? -5.921 24.145 -27.611 1.00 22.87 ? 104 THR B O 1 ATOM 2097 C CB . THR B 1 104 ? -7.717 22.908 -25.498 1.00 24.50 ? 104 THR B CB 1 ATOM 2098 O OG1 . THR B 1 104 ? -9.004 22.602 -24.965 1.00 26.62 ? 104 THR B OG1 1 ATOM 2099 C CG2 . THR B 1 104 ? -6.685 22.889 -24.376 1.00 22.75 ? 104 THR B CG2 1 ATOM 2100 N N . PHE B 1 105 ? -5.858 25.735 -26.019 1.00 22.36 ? 105 PHE B N 1 ATOM 2101 C CA . PHE B 1 105 ? -4.542 26.198 -26.436 1.00 21.88 ? 105 PHE B CA 1 ATOM 2102 C C . PHE B 1 105 ? -3.538 25.023 -26.442 1.00 22.18 ? 105 PHE B C 1 ATOM 2103 O O . PHE B 1 105 ? -3.523 24.201 -25.523 1.00 22.01 ? 105 PHE B O 1 ATOM 2104 C CB . PHE B 1 105 ? -4.030 27.323 -25.502 1.00 22.87 ? 105 PHE B CB 1 ATOM 2105 C CG . PHE B 1 105 ? -4.527 28.713 -25.818 1.00 21.22 ? 105 PHE B CG 1 ATOM 2106 C CD1 . PHE B 1 105 ? -4.511 29.229 -27.124 1.00 20.21 ? 105 PHE B CD1 1 ATOM 2107 C CD2 . PHE B 1 105 ? -4.950 29.546 -24.769 1.00 17.39 ? 105 PHE B CD2 1 ATOM 2108 C CE1 . PHE B 1 105 ? -4.922 30.578 -27.371 1.00 21.77 ? 105 PHE B CE1 1 ATOM 2109 C CE2 . PHE B 1 105 ? -5.366 30.883 -25.007 1.00 22.26 ? 105 PHE B CE2 1 ATOM 2110 C CZ . PHE B 1 105 ? -5.348 31.394 -26.301 1.00 22.23 ? 105 PHE B CZ 1 ATOM 2111 N N . ARG B 1 106 ? -2.739 24.951 -27.514 1.00 21.59 ? 106 ARG B N 1 ATOM 2112 C CA . ARG B 1 106 ? -1.595 24.079 -27.657 1.00 22.65 ? 106 ARG B CA 1 ATOM 2113 C C . ARG B 1 106 ? -1.965 22.619 -27.689 1.00 23.44 ? 106 ARG B C 1 ATOM 2114 O O . ARG B 1 106 ? -1.102 21.766 -27.548 1.00 24.70 ? 106 ARG B O 1 ATOM 2115 C CB . ARG B 1 106 ? -0.491 24.366 -26.615 1.00 24.59 ? 106 ARG B CB 1 ATOM 2116 C CG . ARG B 1 106 ? -0.082 25.833 -26.570 1.00 25.64 ? 106 ARG B CG 1 ATOM 2117 C CD . ARG B 1 106 ? 1.125 26.120 -25.650 1.00 32.40 ? 106 ARG B CD 1 ATOM 2118 N NE . ARG B 1 106 ? 2.280 25.306 -26.025 1.00 35.41 ? 106 ARG B NE 1 ATOM 2119 C CZ . ARG B 1 106 ? 3.273 25.686 -26.838 1.00 35.85 ? 106 ARG B CZ 1 ATOM 2120 N NH1 . ARG B 1 106 ? 3.308 26.892 -27.401 1.00 29.73 ? 106 ARG B NH1 1 ATOM 2121 N NH2 . ARG B 1 106 ? 4.246 24.829 -27.099 1.00 38.42 ? 106 ARG B NH2 1 ATOM 2122 N N . SER B 1 107 ? -3.237 22.313 -27.906 1.00 22.22 ? 107 SER B N 1 ATOM 2123 C CA . SER B 1 107 ? -3.622 20.893 -28.008 1.00 23.04 ? 107 SER B CA 1 ATOM 2124 C C . SER B 1 107 ? -3.197 20.354 -29.371 1.00 23.34 ? 107 SER B C 1 ATOM 2125 O O . SER B 1 107 ? -2.880 21.103 -30.297 1.00 21.67 ? 107 SER B O 1 ATOM 2126 C CB . SER B 1 107 ? -5.116 20.712 -27.850 1.00 22.34 ? 107 SER B CB 1 ATOM 2127 O OG . SER B 1 107 ? -5.733 21.304 -28.987 1.00 24.94 ? 107 SER B OG 1 ATOM 2128 N N . LEU B 1 108 ? -3.230 19.031 -29.503 1.00 24.49 ? 108 LEU B N 1 ATOM 2129 C CA . LEU B 1 108 ? -2.907 18.380 -30.792 1.00 26.41 ? 108 LEU B CA 1 ATOM 2130 C C . LEU B 1 108 ? -3.750 18.839 -31.978 1.00 25.08 ? 108 LEU B C 1 ATOM 2131 O O . LEU B 1 108 ? -3.235 18.947 -33.109 1.00 25.76 ? 108 LEU B O 1 ATOM 2132 C CB . LEU B 1 108 ? -2.985 16.859 -30.657 1.00 27.28 ? 108 LEU B CB 1 ATOM 2133 C CG . LEU B 1 108 ? -1.805 16.216 -29.949 1.00 30.51 ? 108 LEU B CG 1 ATOM 2134 C CD1 . LEU B 1 108 ? -2.163 14.760 -29.601 1.00 33.68 ? 108 LEU B CD1 1 ATOM 2135 C CD2 . LEU B 1 108 ? -0.520 16.305 -30.784 1.00 30.87 ? 108 LEU B CD2 1 ATOM 2136 N N . GLY B 1 109 ? -5.040 19.097 -31.741 1.00 24.40 ? 109 GLY B N 1 ATOM 2137 C CA . GLY B 1 109 ? -5.922 19.554 -32.803 1.00 22.41 ? 109 GLY B CA 1 ATOM 2138 C C . GLY B 1 109 ? -5.967 21.073 -33.009 1.00 22.04 ? 109 GLY B C 1 ATOM 2139 O O . GLY B 1 109 ? -6.723 21.543 -33.845 1.00 22.01 ? 109 GLY B O 1 ATOM 2140 N N . SER B 1 110 ? -5.186 21.829 -32.246 1.00 20.79 ? 110 SER B N 1 ATOM 2141 C CA . SER B 1 110 ? -5.260 23.306 -32.253 1.00 20.06 ? 110 SER B CA 1 ATOM 2142 C C . SER B 1 110 ? -4.412 23.992 -33.331 1.00 18.92 ? 110 SER B C 1 ATOM 2143 O O . SER B 1 110 ? -4.488 25.229 -33.487 1.00 19.29 ? 110 SER B O 1 ATOM 2144 C CB . SER B 1 110 ? -4.839 23.885 -30.893 1.00 18.68 ? 110 SER B CB 1 ATOM 2145 O OG . SER B 1 110 ? -3.437 23.680 -30.693 1.00 22.10 ? 110 SER B OG 1 ATOM 2146 N N . TRP B 1 111 ? -3.629 23.230 -34.091 1.00 18.58 ? 111 TRP B N 1 ATOM 2147 C CA . TRP B 1 111 ? -2.617 23.855 -34.912 1.00 18.15 ? 111 TRP B CA 1 ATOM 2148 C C . TRP B 1 111 ? -2.998 24.289 -36.318 1.00 17.00 ? 111 TRP B C 1 ATOM 2149 O O . TRP B 1 111 ? -3.353 23.489 -37.110 1.00 17.35 ? 111 TRP B O 1 ATOM 2150 C CB . TRP B 1 111 ? -1.373 23.018 -34.921 1.00 17.41 ? 111 TRP B CB 1 ATOM 2151 C CG . TRP B 1 111 ? -0.815 22.820 -33.503 1.00 18.38 ? 111 TRP B CG 1 ATOM 2152 C CD1 . TRP B 1 111 ? -0.766 21.666 -32.801 1.00 18.78 ? 111 TRP B CD1 1 ATOM 2153 C CD2 . TRP B 1 111 ? -0.262 23.839 -32.642 1.00 19.14 ? 111 TRP B CD2 1 ATOM 2154 N NE1 . TRP B 1 111 ? -0.204 21.882 -31.543 1.00 17.53 ? 111 TRP B NE1 1 ATOM 2155 C CE2 . TRP B 1 111 ? 0.112 23.213 -31.434 1.00 20.30 ? 111 TRP B CE2 1 ATOM 2156 C CE3 . TRP B 1 111 ? -0.029 25.214 -32.796 1.00 16.19 ? 111 TRP B CE3 1 ATOM 2157 C CZ2 . TRP B 1 111 ? 0.716 23.906 -30.371 1.00 19.52 ? 111 TRP B CZ2 1 ATOM 2158 C CZ3 . TRP B 1 111 ? 0.542 25.905 -31.735 1.00 18.27 ? 111 TRP B CZ3 1 ATOM 2159 C CH2 . TRP B 1 111 ? 0.908 25.244 -30.534 1.00 21.75 ? 111 TRP B CH2 1 ATOM 2160 N N . PHE B 1 112 ? -2.904 25.583 -36.619 1.00 16.93 ? 112 PHE B N 1 ATOM 2161 C CA . PHE B 1 112 ? -3.051 26.088 -37.985 1.00 16.41 ? 112 PHE B CA 1 ATOM 2162 C C . PHE B 1 112 ? -1.762 26.807 -38.434 1.00 16.09 ? 112 PHE B C 1 ATOM 2163 O O . PHE B 1 112 ? -0.858 27.014 -37.630 1.00 15.82 ? 112 PHE B O 1 ATOM 2164 C CB . PHE B 1 112 ? -4.134 27.166 -38.022 1.00 16.81 ? 112 PHE B CB 1 ATOM 2165 C CG . PHE B 1 112 ? -5.484 26.687 -37.648 1.00 16.77 ? 112 PHE B CG 1 ATOM 2166 C CD1 . PHE B 1 112 ? -6.458 26.430 -38.646 1.00 16.82 ? 112 PHE B CD1 1 ATOM 2167 C CD2 . PHE B 1 112 ? -5.816 26.502 -36.300 1.00 17.13 ? 112 PHE B CD2 1 ATOM 2168 C CE1 . PHE B 1 112 ? -7.750 26.046 -38.277 1.00 15.04 ? 112 PHE B CE1 1 ATOM 2169 C CE2 . PHE B 1 112 ? -7.105 26.084 -35.937 1.00 16.73 ? 112 PHE B CE2 1 ATOM 2170 C CZ . PHE B 1 112 ? -8.067 25.870 -36.920 1.00 14.04 ? 112 PHE B CZ 1 ATOM 2171 N N . ARG B 1 113 ? -1.669 27.145 -39.728 1.00 17.25 ? 113 ARG B N 1 ATOM 2172 C CA . ARG B 1 113 ? -0.560 27.982 -40.246 1.00 17.54 ? 113 ARG B CA 1 ATOM 2173 C C . ARG B 1 113 ? -1.082 28.995 -41.240 1.00 16.54 ? 113 ARG B C 1 ATOM 2174 O O . ARG B 1 113 ? -2.175 28.790 -41.836 1.00 17.07 ? 113 ARG B O 1 ATOM 2175 C CB . ARG B 1 113 ? 0.497 27.112 -40.921 1.00 17.04 ? 113 ARG B CB 1 ATOM 2176 C CG . ARG B 1 113 ? 1.124 26.074 -40.014 1.00 19.64 ? 113 ARG B CG 1 ATOM 2177 C CD . ARG B 1 113 ? 1.987 25.096 -40.805 1.00 21.26 ? 113 ARG B CD 1 ATOM 2178 N NE . ARG B 1 113 ? 2.444 24.051 -39.897 1.00 21.22 ? 113 ARG B NE 1 ATOM 2179 C CZ . ARG B 1 113 ? 3.338 23.104 -40.174 1.00 26.85 ? 113 ARG B CZ 1 ATOM 2180 N NH1 . ARG B 1 113 ? 3.947 23.053 -41.361 1.00 27.61 ? 113 ARG B NH1 1 ATOM 2181 N NH2 . ARG B 1 113 ? 3.643 22.210 -39.238 1.00 25.69 ? 113 ARG B NH2 1 ATOM 2182 N N . ILE B 1 114 ? -0.414 30.120 -41.368 1.00 18.93 ? 114 ILE B N 1 ATOM 2183 C CA . ILE B 1 114 ? -0.709 31.093 -42.372 1.00 17.85 ? 114 ILE B CA 1 ATOM 2184 C C . ILE B 1 114 ? 0.386 30.843 -43.413 1.00 19.90 ? 114 ILE B C 1 ATOM 2185 O O . ILE B 1 114 ? 1.554 30.775 -43.069 1.00 19.70 ? 114 ILE B O 1 ATOM 2186 C CB . ILE B 1 114 ? -0.645 32.544 -41.842 1.00 17.31 ? 114 ILE B CB 1 ATOM 2187 C CG1 . ILE B 1 114 ? -1.608 32.783 -40.688 1.00 14.69 ? 114 ILE B CG1 1 ATOM 2188 C CG2 . ILE B 1 114 ? -0.848 33.518 -42.926 1.00 18.95 ? 114 ILE B CG2 1 ATOM 2189 C CD1 . ILE B 1 114 ? -1.440 34.122 -39.985 1.00 15.37 ? 114 ILE B CD1 1 ATOM 2190 N N . GLU B 1 115 ? -0.024 30.671 -44.654 1.00 19.28 ? 115 GLU B N 1 ATOM 2191 C CA . GLU B 1 115 ? 0.954 30.458 -45.759 1.00 19.63 ? 115 GLU B CA 1 ATOM 2192 C C . GLU B 1 115 ? 0.672 31.388 -46.927 1.00 20.05 ? 115 GLU B C 1 ATOM 2193 O O . GLU B 1 115 ? -0.484 31.680 -47.182 1.00 20.24 ? 115 GLU B O 1 ATOM 2194 C CB . GLU B 1 115 ? 0.897 28.998 -46.199 1.00 20.96 ? 115 GLU B CB 1 ATOM 2195 C CG . GLU B 1 115 ? 1.275 28.132 -45.014 1.00 21.89 ? 115 GLU B CG 1 ATOM 2196 C CD . GLU B 1 115 ? 1.333 26.674 -45.303 1.00 27.03 ? 115 GLU B CD 1 ATOM 2197 O OE1 . GLU B 1 115 ? 0.856 26.244 -46.357 1.00 32.00 ? 115 GLU B OE1 1 ATOM 2198 O OE2 . GLU B 1 115 ? 1.853 25.950 -44.445 1.00 34.60 ? 115 GLU B OE2 1 ATOM 2199 N N . ARG B 1 116 ? 1.708 31.858 -47.634 1.00 19.98 ? 116 ARG B N 1 ATOM 2200 C CA . ARG B 1 116 ? 1.475 32.761 -48.798 1.00 21.07 ? 116 ARG B CA 1 ATOM 2201 C C . ARG B 1 116 ? 0.736 31.987 -49.873 1.00 21.39 ? 116 ARG B C 1 ATOM 2202 O O . ARG B 1 116 ? 0.930 30.775 -50.017 1.00 21.92 ? 116 ARG B O 1 ATOM 2203 C CB . ARG B 1 116 ? 2.794 33.268 -49.365 1.00 21.78 ? 116 ARG B CB 1 ATOM 2204 C CG . ARG B 1 116 ? 3.519 34.201 -48.445 1.00 22.22 ? 116 ARG B CG 1 ATOM 2205 C CD . ARG B 1 116 ? 4.469 35.124 -49.237 1.00 26.20 ? 116 ARG B CD 1 ATOM 2206 N NE . ARG B 1 116 ? 5.038 36.118 -48.341 1.00 26.37 ? 116 ARG B NE 1 ATOM 2207 C CZ . ARG B 1 116 ? 4.459 37.285 -48.054 1.00 27.77 ? 116 ARG B CZ 1 ATOM 2208 N NH1 . ARG B 1 116 ? 3.324 37.678 -48.656 1.00 24.74 ? 116 ARG B NH1 1 ATOM 2209 N NH2 . ARG B 1 116 ? 5.068 38.086 -47.202 1.00 26.74 ? 116 ARG B NH2 1 ATOM 2210 N N . HIS B 1 117 ? -0.143 32.661 -50.601 1.00 21.48 ? 117 HIS B N 1 ATOM 2211 C CA . HIS B 1 117 ? -0.911 32.003 -51.653 1.00 22.64 ? 117 HIS B CA 1 ATOM 2212 C C . HIS B 1 117 ? -1.216 33.110 -52.664 1.00 23.01 ? 117 HIS B C 1 ATOM 2213 O O . HIS B 1 117 ? -1.875 34.084 -52.333 1.00 23.08 ? 117 HIS B O 1 ATOM 2214 C CB . HIS B 1 117 ? -2.198 31.426 -51.044 1.00 23.04 ? 117 HIS B CB 1 ATOM 2215 C CG . HIS B 1 117 ? -3.144 30.856 -52.051 1.00 24.31 ? 117 HIS B CG 1 ATOM 2216 N ND1 . HIS B 1 117 ? -2.983 29.602 -52.590 1.00 29.09 ? 117 HIS B ND1 1 ATOM 2217 C CD2 . HIS B 1 117 ? -4.256 31.375 -52.618 1.00 27.67 ? 117 HIS B CD2 1 ATOM 2218 C CE1 . HIS B 1 117 ? -3.963 29.367 -53.445 1.00 29.63 ? 117 HIS B CE1 1 ATOM 2219 N NE2 . HIS B 1 117 ? -4.748 30.428 -53.481 1.00 32.43 ? 117 HIS B NE2 1 ATOM 2220 N N . GLY B 1 118 ? -0.658 32.988 -53.864 1.00 23.19 ? 118 GLY B N 1 ATOM 2221 C CA . GLY B 1 118 ? -0.682 34.066 -54.846 1.00 23.29 ? 118 GLY B CA 1 ATOM 2222 C C . GLY B 1 118 ? -0.127 35.333 -54.201 1.00 23.21 ? 118 GLY B C 1 ATOM 2223 O O . GLY B 1 118 ? 0.876 35.292 -53.484 1.00 22.04 ? 118 GLY B O 1 ATOM 2224 N N . ASP B 1 119 ? -0.789 36.460 -54.397 1.00 24.71 ? 119 ASP B N 1 ATOM 2225 C CA . ASP B 1 119 ? -0.338 37.649 -53.673 1.00 26.37 ? 119 ASP B CA 1 ATOM 2226 C C . ASP B 1 119 ? -0.957 37.850 -52.294 1.00 25.70 ? 119 ASP B C 1 ATOM 2227 O O . ASP B 1 119 ? -0.843 38.917 -51.707 1.00 25.43 ? 119 ASP B O 1 ATOM 2228 C CB . ASP B 1 119 ? -0.411 38.909 -54.534 1.00 29.53 ? 119 ASP B CB 1 ATOM 2229 C CG . ASP B 1 119 ? 0.860 39.070 -55.421 1.00 34.96 ? 119 ASP B CG 1 ATOM 2230 O OD1 . ASP B 1 119 ? 2.021 39.185 -54.876 1.00 41.83 ? 119 ASP B OD1 1 ATOM 2231 O OD2 . ASP B 1 119 ? 0.697 39.045 -56.664 1.00 41.59 ? 119 ASP B OD2 1 ATOM 2232 N N . SER B 1 120 ? -1.594 36.826 -51.766 1.00 23.73 ? 120 SER B N 1 ATOM 2233 C CA . SER B 1 120 ? -2.062 36.945 -50.395 1.00 23.83 ? 120 SER B CA 1 ATOM 2234 C C . SER B 1 120 ? -1.785 35.690 -49.620 1.00 22.52 ? 120 SER B C 1 ATOM 2235 O O . SER B 1 120 ? -0.668 35.150 -49.720 1.00 21.51 ? 120 SER B O 1 ATOM 2236 C CB . SER B 1 120 ? -3.510 37.419 -50.321 1.00 24.61 ? 120 SER B CB 1 ATOM 2237 O OG . SER B 1 120 ? -4.376 36.600 -51.065 1.00 26.64 ? 120 SER B OG 1 ATOM 2238 N N . TYR B 1 121 ? -2.757 35.236 -48.825 1.00 22.16 ? 121 TYR B N 1 ATOM 2239 C CA . TYR B 1 121 ? -2.510 34.140 -47.862 1.00 20.89 ? 121 TYR B CA 1 ATOM 2240 C C . TYR B 1 121 ? -3.562 33.053 -47.906 1.00 20.17 ? 121 TYR B C 1 ATOM 2241 O O . TYR B 1 121 ? -4.618 33.242 -48.524 1.00 19.88 ? 121 TYR B O 1 ATOM 2242 C CB . TYR B 1 121 ? -2.353 34.723 -46.437 1.00 20.99 ? 121 TYR B CB 1 ATOM 2243 C CG . TYR B 1 121 ? -1.313 35.856 -46.369 1.00 21.17 ? 121 TYR B CG 1 ATOM 2244 C CD1 . TYR B 1 121 ? 0.036 35.601 -46.048 1.00 23.51 ? 121 TYR B CD1 1 ATOM 2245 C CD2 . TYR B 1 121 ? -1.677 37.173 -46.617 1.00 25.33 ? 121 TYR B CD2 1 ATOM 2246 C CE1 . TYR B 1 121 ? 0.988 36.656 -45.994 1.00 23.30 ? 121 TYR B CE1 1 ATOM 2247 C CE2 . TYR B 1 121 ? -0.722 38.223 -46.578 1.00 24.61 ? 121 TYR B CE2 1 ATOM 2248 C CZ . TYR B 1 121 ? 0.594 37.954 -46.262 1.00 28.01 ? 121 TYR B CZ 1 ATOM 2249 O OH . TYR B 1 121 ? 1.538 38.996 -46.216 1.00 31.73 ? 121 TYR B OH 1 ATOM 2250 N N . LYS B 1 122 ? -3.254 31.888 -47.314 1.00 20.23 ? 122 LYS B N 1 ATOM 2251 C CA . LYS B 1 122 ? -4.272 30.885 -46.994 1.00 20.56 ? 122 LYS B CA 1 ATOM 2252 C C . LYS B 1 122 ? -4.066 30.431 -45.550 1.00 19.73 ? 122 LYS B C 1 ATOM 2253 O O . LYS B 1 122 ? -2.960 30.591 -45.000 1.00 19.37 ? 122 LYS B O 1 ATOM 2254 C CB . LYS B 1 122 ? -4.203 29.689 -47.939 1.00 21.30 ? 122 LYS B CB 1 ATOM 2255 C CG . LYS B 1 122 ? -2.859 29.005 -47.908 1.00 22.01 ? 122 LYS B CG 1 ATOM 2256 C CD . LYS B 1 122 ? -2.887 27.760 -48.781 1.00 26.65 ? 122 LYS B CD 1 ATOM 2257 C CE . LYS B 1 122 ? -1.502 27.150 -48.837 1.00 26.59 ? 122 LYS B CE 1 ATOM 2258 N NZ . LYS B 1 122 ? -1.593 25.780 -49.508 1.00 26.11 ? 122 LYS B NZ 1 ATOM 2259 N N . LEU B 1 123 ? -5.120 29.890 -44.935 1.00 19.18 ? 123 LEU B N 1 ATOM 2260 C CA . LEU B 1 123 ? -4.963 29.200 -43.652 1.00 19.06 ? 123 LEU B CA 1 ATOM 2261 C C . LEU B 1 123 ? -4.917 27.739 -43.981 1.00 18.98 ? 123 LEU B C 1 ATOM 2262 O O . LEU B 1 123 ? -5.583 27.305 -44.925 1.00 17.67 ? 123 LEU B O 1 ATOM 2263 C CB . LEU B 1 123 ? -6.138 29.436 -42.710 1.00 18.22 ? 123 LEU B CB 1 ATOM 2264 C CG . LEU B 1 123 ? -6.249 30.915 -42.296 1.00 18.35 ? 123 LEU B CG 1 ATOM 2265 C CD1 . LEU B 1 123 ? -7.593 31.205 -41.601 1.00 23.63 ? 123 LEU B CD1 1 ATOM 2266 C CD2 . LEU B 1 123 ? -5.123 31.324 -41.389 1.00 20.53 ? 123 LEU B CD2 1 ATOM 2267 N N . VAL B 1 124 ? -4.105 27.003 -43.237 1.00 17.24 ? 124 VAL B N 1 ATOM 2268 C CA . VAL B 1 124 ? -4.136 25.543 -43.344 1.00 18.59 ? 124 VAL B CA 1 ATOM 2269 C C . VAL B 1 124 ? -4.319 24.994 -41.937 1.00 18.76 ? 124 VAL B C 1 ATOM 2270 O O . VAL B 1 124 ? -4.011 25.656 -40.966 1.00 19.18 ? 124 VAL B O 1 ATOM 2271 C CB . VAL B 1 124 ? -2.875 24.961 -44.001 1.00 18.86 ? 124 VAL B CB 1 ATOM 2272 C CG1 . VAL B 1 124 ? -2.662 25.515 -45.381 1.00 18.98 ? 124 VAL B CG1 1 ATOM 2273 C CG2 . VAL B 1 124 ? -1.656 25.179 -43.125 1.00 20.15 ? 124 VAL B CG2 1 ATOM 2274 N N . HIS B 1 125 ? -4.858 23.791 -41.807 1.00 20.46 ? 125 HIS B N 1 ATOM 2275 C CA . HIS B 1 125 ? -4.935 23.209 -40.502 1.00 21.31 ? 125 HIS B CA 1 ATOM 2276 C C . HIS B 1 125 ? -4.061 21.976 -40.505 1.00 23.06 ? 125 HIS B C 1 ATOM 2277 O O . HIS B 1 125 ? -4.119 21.188 -41.451 1.00 25.13 ? 125 HIS B O 1 ATOM 2278 C CB . HIS B 1 125 ? -6.366 22.849 -40.101 1.00 22.04 ? 125 HIS B CB 1 ATOM 2279 C CG . HIS B 1 125 ? -6.431 22.173 -38.766 1.00 19.38 ? 125 HIS B CG 1 ATOM 2280 N ND1 . HIS B 1 125 ? -6.496 20.797 -38.635 1.00 20.57 ? 125 HIS B ND1 1 ATOM 2281 C CD2 . HIS B 1 125 ? -6.305 22.665 -37.511 1.00 15.41 ? 125 HIS B CD2 1 ATOM 2282 C CE1 . HIS B 1 125 ? -6.466 20.483 -37.349 1.00 20.37 ? 125 HIS B CE1 1 ATOM 2283 N NE2 . HIS B 1 125 ? -6.354 21.595 -36.643 1.00 23.63 ? 125 HIS B NE2 1 ATOM 2284 N N . CYS B 1 126 ? -3.261 21.808 -39.455 1.00 23.37 ? 126 CYS B N 1 ATOM 2285 C CA . CYS B 1 126 ? -2.236 20.764 -39.416 1.00 25.91 ? 126 CYS B CA 1 ATOM 2286 C C . CYS B 1 126 ? -2.445 19.761 -38.301 1.00 26.13 ? 126 CYS B C 1 ATOM 2287 O O . CYS B 1 126 ? -2.030 20.014 -37.149 1.00 25.23 ? 126 CYS B O 1 ATOM 2288 C CB . CYS B 1 126 ? -0.856 21.396 -39.299 1.00 27.42 ? 126 CYS B CB 1 ATOM 2289 S SG . CYS B 1 126 ? -0.489 22.539 -40.692 1.00 34.16 ? 126 CYS B SG 1 ATOM 2290 N N . PRO B 1 127 ? -3.053 18.585 -38.614 1.00 26.80 ? 127 PRO B N 1 ATOM 2291 C CA . PRO B 1 127 ? -3.336 17.719 -37.489 1.00 26.74 ? 127 PRO B CA 1 ATOM 2292 C C . PRO B 1 127 ? -2.048 17.360 -36.774 1.00 27.55 ? 127 PRO B C 1 ATOM 2293 O O . PRO B 1 127 ? -1.034 17.142 -37.437 1.00 27.20 ? 127 PRO B O 1 ATOM 2294 C CB . PRO B 1 127 ? -3.907 16.442 -38.163 1.00 28.34 ? 127 PRO B CB 1 ATOM 2295 C CG . PRO B 1 127 ? -4.658 16.990 -39.360 1.00 28.61 ? 127 PRO B CG 1 ATOM 2296 C CD . PRO B 1 127 ? -3.724 18.125 -39.851 1.00 26.92 ? 127 PRO B CD 1 ATOM 2297 N N . ARG B 1 128 ? -2.104 17.239 -35.446 1.00 26.80 ? 128 ARG B N 1 ATOM 2298 C CA . ARG B 1 128 ? -0.917 16.944 -34.630 1.00 27.54 ? 128 ARG B CA 1 ATOM 2299 C C . ARG B 1 128 ? 0.202 18.016 -34.762 1.00 26.71 ? 128 ARG B C 1 ATOM 2300 O O . ARG B 1 128 ? 1.320 17.817 -34.296 1.00 27.62 ? 128 ARG B O 1 ATOM 2301 C CB . ARG B 1 128 ? -0.376 15.500 -34.857 1.00 28.98 ? 128 ARG B CB 1 ATOM 2302 C CG . ARG B 1 128 ? -1.443 14.391 -34.953 1.00 32.43 ? 128 ARG B CG 1 ATOM 2303 C CD . ARG B 1 128 ? -0.848 12.927 -34.987 1.00 38.29 ? 128 ARG B CD 1 ATOM 2304 N NE . ARG B 1 128 ? -0.449 12.534 -33.630 1.00 44.61 ? 128 ARG B NE 1 ATOM 2305 C CZ . ARG B 1 128 ? -1.276 12.053 -32.689 1.00 48.47 ? 128 ARG B CZ 1 ATOM 2306 N NH1 . ARG B 1 128 ? -2.568 11.839 -32.948 1.00 49.88 ? 128 ARG B NH1 1 ATOM 2307 N NH2 . ARG B 1 128 ? -0.815 11.773 -31.471 1.00 51.36 ? 128 ARG B NH2 1 ATOM 2308 N N . GLY B 1 129 ? -0.065 19.156 -35.389 1.00 25.21 ? 129 GLY B N 1 ATOM 2309 C CA . GLY B 1 129 ? 1.025 20.121 -35.594 1.00 25.94 ? 129 GLY B CA 1 ATOM 2310 C C . GLY B 1 129 ? 2.107 19.729 -36.610 1.00 28.24 ? 129 GLY B C 1 ATOM 2311 O O . GLY B 1 129 ? 3.241 20.249 -36.580 1.00 29.26 ? 129 GLY B O 1 ATOM 2312 N N . SER B 1 130 ? 1.783 18.801 -37.499 1.00 29.40 ? 130 SER B N 1 ATOM 2313 C CA . SER B 1 130 ? 2.701 18.468 -38.579 1.00 30.47 ? 130 SER B CA 1 ATOM 2314 C C . SER B 1 130 ? 1.993 18.238 -39.912 1.00 30.78 ? 130 SER B C 1 ATOM 2315 O O . SER B 1 130 ? 0.774 18.177 -39.996 1.00 30.07 ? 130 SER B O 1 ATOM 2316 C CB . SER B 1 130 ? 3.576 17.277 -38.207 1.00 32.38 ? 130 SER B CB 1 ATOM 2317 O OG . SER B 1 130 ? 2.756 16.159 -38.145 1.00 34.37 ? 130 SER B OG 1 ATOM 2318 N N . THR B 1 131 ? 2.784 18.151 -40.966 1.00 31.94 ? 131 THR B N 1 ATOM 2319 C CA . THR B 1 131 ? 2.284 17.767 -42.281 1.00 34.00 ? 131 THR B CA 1 ATOM 2320 C C . THR B 1 131 ? 1.871 16.294 -42.289 1.00 35.87 ? 131 THR B C 1 ATOM 2321 O O . THR B 1 131 ? 2.387 15.501 -41.501 1.00 36.18 ? 131 THR B O 1 ATOM 2322 C CB . THR B 1 131 ? 3.368 18.016 -43.353 1.00 34.26 ? 131 THR B CB 1 ATOM 2323 O OG1 . THR B 1 131 ? 4.529 17.257 -43.018 1.00 36.75 ? 131 THR B OG1 1 ATOM 2324 C CG2 . THR B 1 131 ? 3.756 19.474 -43.354 1.00 33.73 ? 131 THR B CG2 1 ATOM 2325 N N . PRO B 1 132 ? 0.920 15.922 -43.172 1.00 37.28 ? 132 PRO B N 1 ATOM 2326 C CA . PRO B 1 132 ? 0.339 16.806 -44.195 1.00 36.45 ? 132 PRO B CA 1 ATOM 2327 C C . PRO B 1 132 ? -0.753 17.703 -43.636 1.00 34.91 ? 132 PRO B C 1 ATOM 2328 O O . PRO B 1 132 ? -1.561 17.273 -42.798 1.00 35.18 ? 132 PRO B O 1 ATOM 2329 C CB . PRO B 1 132 ? -0.268 15.821 -45.189 1.00 37.63 ? 132 PRO B CB 1 ATOM 2330 C CG . PRO B 1 132 ? -0.758 14.688 -44.298 1.00 38.78 ? 132 PRO B CG 1 ATOM 2331 C CD . PRO B 1 132 ? 0.245 14.605 -43.140 1.00 38.52 ? 132 PRO B CD 1 ATOM 2332 N N . CYS B 1 133 ? -0.777 18.943 -44.099 1.00 33.64 ? 133 CYS B N 1 ATOM 2333 C CA . CYS B 1 133 ? -1.795 19.878 -43.671 1.00 32.20 ? 133 CYS B CA 1 ATOM 2334 C C . CYS B 1 133 ? -2.968 19.901 -44.644 1.00 31.99 ? 133 CYS B C 1 ATOM 2335 O O . CYS B 1 133 ? -2.858 19.369 -45.746 1.00 33.00 ? 133 CYS B O 1 ATOM 2336 C CB . CYS B 1 133 ? -1.181 21.256 -43.485 1.00 31.54 ? 133 CYS B CB 1 ATOM 2337 S SG . CYS B 1 133 ? 0.189 21.289 -42.230 1.00 34.75 ? 133 CYS B SG 1 ATOM 2338 N N . ARG B 1 134 ? -4.089 20.484 -44.234 1.00 29.52 ? 134 ARG B N 1 ATOM 2339 C CA . ARG B 1 134 ? -5.235 20.665 -45.106 1.00 29.82 ? 134 ARG B CA 1 ATOM 2340 C C . ARG B 1 134 ? -5.584 22.141 -45.275 1.00 27.24 ? 134 ARG B C 1 ATOM 2341 O O . ARG B 1 134 ? -5.686 22.890 -44.282 1.00 26.15 ? 134 ARG B O 1 ATOM 2342 C CB . ARG B 1 134 ? -6.439 19.894 -44.546 1.00 31.10 ? 134 ARG B CB 1 ATOM 2343 C CG . ARG B 1 134 ? -6.263 18.390 -44.631 1.00 37.06 ? 134 ARG B CG 1 ATOM 2344 C CD . ARG B 1 134 ? -6.825 17.871 -45.955 1.00 46.80 ? 134 ARG B CD 1 ATOM 2345 N NE . ARG B 1 134 ? -8.246 18.214 -46.137 1.00 52.49 ? 134 ARG B NE 1 ATOM 2346 C CZ . ARG B 1 134 ? -8.918 18.131 -47.291 1.00 55.17 ? 134 ARG B CZ 1 ATOM 2347 N NH1 . ARG B 1 134 ? -8.326 17.708 -48.407 1.00 55.25 ? 134 ARG B NH1 1 ATOM 2348 N NH2 . ARG B 1 134 ? -10.205 18.468 -47.323 1.00 56.63 ? 134 ARG B NH2 1 ATOM 2349 N N . ASP B 1 135 ? -5.770 22.578 -46.522 1.00 26.63 ? 135 ASP B N 1 ATOM 2350 C CA . ASP B 1 135 ? -6.183 23.973 -46.746 1.00 25.59 ? 135 ASP B CA 1 ATOM 2351 C C . ASP B 1 135 ? -7.528 24.225 -46.059 1.00 24.22 ? 135 ASP B C 1 ATOM 2352 O O . ASP B 1 135 ? -8.387 23.343 -46.001 1.00 24.96 ? 135 ASP B O 1 ATOM 2353 C CB . ASP B 1 135 ? -6.346 24.316 -48.238 1.00 26.98 ? 135 ASP B CB 1 ATOM 2354 C CG . ASP B 1 135 ? -5.032 24.245 -49.036 1.00 29.16 ? 135 ASP B CG 1 ATOM 2355 O OD1 . ASP B 1 135 ? -3.921 24.512 -48.506 1.00 29.36 ? 135 ASP B OD1 1 ATOM 2356 O OD2 . ASP B 1 135 ? -5.149 23.940 -50.241 1.00 33.89 ? 135 ASP B OD2 1 ATOM 2357 N N . VAL B 1 136 ? -7.704 25.444 -45.568 1.00 23.17 ? 136 VAL B N 1 ATOM 2358 C CA . VAL B 1 136 ? -8.997 25.907 -45.087 1.00 22.96 ? 136 VAL B CA 1 ATOM 2359 C C . VAL B 1 136 ? -9.674 26.657 -46.212 1.00 23.20 ? 136 VAL B C 1 ATOM 2360 O O . VAL B 1 136 ? -9.116 27.621 -46.794 1.00 22.15 ? 136 VAL B O 1 ATOM 2361 C CB . VAL B 1 136 ? -8.895 26.827 -43.826 1.00 22.94 ? 136 VAL B CB 1 ATOM 2362 C CG1 . VAL B 1 136 ? -10.293 27.369 -43.454 1.00 23.04 ? 136 VAL B CG1 1 ATOM 2363 C CG2 . VAL B 1 136 ? -8.355 26.019 -42.644 1.00 21.91 ? 136 VAL B CG2 1 ATOM 2364 N N . GLY B 1 137 ? -10.881 26.211 -46.512 1.00 22.45 ? 137 GLY B N 1 ATOM 2365 C CA . GLY B 1 137 ? -11.670 26.821 -47.569 1.00 24.57 ? 137 GLY B CA 1 ATOM 2366 C C . GLY B 1 137 ? -13.095 27.030 -47.103 1.00 25.92 ? 137 GLY B C 1 ATOM 2367 O O . GLY B 1 137 ? -13.427 26.857 -45.907 1.00 25.29 ? 137 GLY B O 1 ATOM 2368 N N . ILE B 1 138 ? -13.940 27.418 -48.045 1.00 27.40 ? 138 ILE B N 1 ATOM 2369 C CA . ILE B 1 138 ? -15.338 27.593 -47.779 1.00 30.21 ? 138 ILE B CA 1 ATOM 2370 C C . ILE B 1 138 ? -16.104 26.327 -48.193 1.00 32.18 ? 138 ILE B C 1 ATOM 2371 O O . ILE B 1 138 ? -15.832 25.772 -49.252 1.00 32.77 ? 138 ILE B O 1 ATOM 2372 C CB . ILE B 1 138 ? -15.855 28.830 -48.518 1.00 31.79 ? 138 ILE B CB 1 ATOM 2373 C CG1 . ILE B 1 138 ? -15.511 30.063 -47.684 1.00 31.27 ? 138 ILE B CG1 1 ATOM 2374 C CG2 . ILE B 1 138 ? -17.382 28.735 -48.711 1.00 33.02 ? 138 ILE B CG2 1 ATOM 2375 C CD1 . ILE B 1 138 ? -15.644 31.376 -48.437 1.00 37.55 ? 138 ILE B CD1 1 ATOM 2376 N N . GLU B 1 139 ? -17.024 25.871 -47.335 1.00 33.09 ? 139 GLU B N 1 ATOM 2377 C CA . GLU B 1 139 ? -17.953 24.791 -47.651 1.00 35.44 ? 139 GLU B CA 1 ATOM 2378 C C . GLU B 1 139 ? -19.411 25.248 -47.440 1.00 35.64 ? 139 GLU B C 1 ATOM 2379 O O . GLU B 1 139 ? -19.683 26.203 -46.707 1.00 33.96 ? 139 GLU B O 1 ATOM 2380 C CB . GLU B 1 139 ? -17.649 23.518 -46.832 1.00 35.69 ? 139 GLU B CB 1 ATOM 2381 C CG . GLU B 1 139 ? -16.459 22.679 -47.373 1.00 40.81 ? 139 GLU B CG 1 ATOM 2382 C CD . GLU B 1 139 ? -16.729 21.994 -48.755 1.00 48.86 ? 139 GLU B CD 1 ATOM 2383 O OE1 . GLU B 1 139 ? -17.874 21.578 -49.021 1.00 54.28 ? 139 GLU B OE1 1 ATOM 2384 O OE2 . GLU B 1 139 ? -15.796 21.850 -49.579 1.00 52.10 ? 139 GLU B OE2 1 ATOM 2385 N N . THR B 1 140 ? -20.329 24.574 -48.131 1.00 37.54 ? 140 THR B N 1 ATOM 2386 C CA . THR B 1 140 ? -21.775 24.818 -47.995 1.00 38.86 ? 140 THR B CA 1 ATOM 2387 C C . THR B 1 140 ? -22.551 23.564 -47.597 1.00 39.83 ? 140 THR B C 1 ATOM 2388 O O . THR B 1 140 ? -23.624 23.673 -47.010 1.00 40.38 ? 140 THR B O 1 ATOM 2389 C CB . THR B 1 140 ? -22.392 25.353 -49.301 1.00 40.50 ? 140 THR B CB 1 ATOM 2390 O OG1 . THR B 1 140 ? -21.939 24.542 -50.394 1.00 40.31 ? 140 THR B OG1 1 ATOM 2391 C CG2 . THR B 1 140 ? -21.961 26.807 -49.549 1.00 40.97 ? 140 THR B CG2 1 ATOM 2392 N N . VAL B 1 141 ? -22.027 22.379 -47.924 1.00 40.58 ? 141 VAL B N 1 ATOM 2393 C CA . VAL B 1 141 ? -22.744 21.127 -47.658 1.00 41.85 ? 141 VAL B CA 1 ATOM 2394 C C . VAL B 1 141 ? -23.176 20.985 -46.178 1.00 41.17 ? 141 VAL B C 1 ATOM 2395 O O . VAL B 1 141 ? -22.347 21.070 -45.250 1.00 39.44 ? 141 VAL B O 1 ATOM 2396 C CB . VAL B 1 141 ? -21.988 19.872 -48.195 1.00 42.60 ? 141 VAL B CB 1 ATOM 2397 C CG1 . VAL B 1 141 ? -20.816 19.470 -47.276 1.00 42.48 ? 141 VAL B CG1 1 ATOM 2398 C CG2 . VAL B 1 141 ? -22.965 18.713 -48.426 1.00 45.52 ? 141 VAL B CG2 1 ATOM 2399 N N . GLY B 1 142 ? -24.487 20.803 -45.973 1.00 41.55 ? 142 GLY B N 1 ATOM 2400 C CA . GLY B 1 142 ? -25.049 20.683 -44.630 1.00 40.37 ? 142 GLY B CA 1 ATOM 2401 C C . GLY B 1 142 ? -25.177 22.004 -43.895 1.00 38.99 ? 142 GLY B C 1 ATOM 2402 O O . GLY B 1 142 ? -25.581 22.021 -42.724 1.00 38.91 ? 142 GLY B O 1 ATOM 2403 N N . GLY B 1 143 ? -24.844 23.095 -44.588 1.00 38.10 ? 143 GLY B N 1 ATOM 2404 C CA . GLY B 1 143 ? -24.893 24.459 -44.053 1.00 37.57 ? 143 GLY B CA 1 ATOM 2405 C C . GLY B 1 143 ? -26.260 25.134 -44.181 1.00 39.32 ? 143 GLY B C 1 ATOM 2406 O O . GLY B 1 143 ? -26.469 26.232 -43.654 1.00 39.47 ? 143 GLY B O 1 ATOM 2407 N N . GLY B 1 144 ? -27.188 24.484 -44.881 1.00 40.61 ? 144 GLY B N 1 ATOM 2408 C CA . GLY B 1 144 ? -28.564 24.972 -44.995 1.00 42.32 ? 144 GLY B CA 1 ATOM 2409 C C . GLY B 1 144 ? -28.702 26.376 -45.571 1.00 42.65 ? 144 GLY B C 1 ATOM 2410 O O . GLY B 1 144 ? -29.713 27.057 -45.300 1.00 42.93 ? 144 GLY B O 1 ATOM 2411 N N . GLY B 1 145 ? -27.708 26.792 -46.371 1.00 41.44 ? 145 GLY B N 1 ATOM 2412 C CA . GLY B 1 145 ? -27.677 28.123 -46.980 1.00 41.92 ? 145 GLY B CA 1 ATOM 2413 C C . GLY B 1 145 ? -26.507 29.006 -46.549 1.00 41.18 ? 145 GLY B C 1 ATOM 2414 O O . GLY B 1 145 ? -26.166 29.963 -47.239 1.00 42.15 ? 145 GLY B O 1 ATOM 2415 N N . ARG B 1 146 ? -25.875 28.692 -45.425 1.00 39.04 ? 146 ARG B N 1 ATOM 2416 C CA . ARG B 1 146 ? -24.740 29.494 -44.974 1.00 38.34 ? 146 ARG B CA 1 ATOM 2417 C C . ARG B 1 146 ? -23.429 28.921 -45.475 1.00 36.28 ? 146 ARG B C 1 ATOM 2418 O O . ARG B 1 146 ? -23.380 27.750 -45.856 1.00 37.12 ? 146 ARG B O 1 ATOM 2419 C CB . ARG B 1 146 ? -24.709 29.563 -43.457 1.00 37.31 ? 146 ARG B CB 1 ATOM 2420 C CG . ARG B 1 146 ? -25.730 30.491 -42.867 1.00 42.36 ? 146 ARG B CG 1 ATOM 2421 C CD . ARG B 1 146 ? -25.443 30.641 -41.381 1.00 47.92 ? 146 ARG B CD 1 ATOM 2422 N NE . ARG B 1 146 ? -26.077 31.802 -40.767 1.00 53.36 ? 146 ARG B NE 1 ATOM 2423 C CZ . ARG B 1 146 ? -26.336 32.955 -41.386 1.00 56.40 ? 146 ARG B CZ 1 ATOM 2424 N NH1 . ARG B 1 146 ? -26.019 33.142 -42.659 1.00 56.97 ? 146 ARG B NH1 1 ATOM 2425 N NH2 . ARG B 1 146 ? -26.915 33.938 -40.712 1.00 59.30 ? 146 ARG B NH2 1 ATOM 2426 N N . ARG B 1 147 ? -22.372 29.737 -45.469 1.00 34.45 ? 147 ARG B N 1 ATOM 2427 C CA . ARG B 1 147 ? -21.019 29.262 -45.784 1.00 32.06 ? 147 ARG B CA 1 ATOM 2428 C C . ARG B 1 147 ? -20.153 29.248 -44.530 1.00 30.35 ? 147 ARG B C 1 ATOM 2429 O O . ARG B 1 147 ? -20.195 30.173 -43.736 1.00 29.24 ? 147 ARG B O 1 ATOM 2430 C CB . ARG B 1 147 ? -20.355 30.126 -46.849 1.00 32.77 ? 147 ARG B CB 1 ATOM 2431 C CG . ARG B 1 147 ? -21.104 30.061 -48.157 1.00 35.30 ? 147 ARG B CG 1 ATOM 2432 C CD . ARG B 1 147 ? -20.588 31.022 -49.199 1.00 39.23 ? 147 ARG B CD 1 ATOM 2433 N NE . ARG B 1 147 ? -21.369 30.775 -50.422 1.00 44.04 ? 147 ARG B NE 1 ATOM 2434 C CZ . ARG B 1 147 ? -20.853 30.469 -51.608 1.00 46.75 ? 147 ARG B CZ 1 ATOM 2435 N NH1 . ARG B 1 147 ? -19.531 30.418 -51.779 1.00 48.84 ? 147 ARG B NH1 1 ATOM 2436 N NH2 . ARG B 1 147 ? -21.668 30.249 -52.631 1.00 48.67 ? 147 ARG B NH2 1 ATOM 2437 N N . TYR B 1 148 ? -19.390 28.178 -44.379 1.00 28.56 ? 148 TYR B N 1 ATOM 2438 C CA . TYR B 1 148 ? -18.636 27.898 -43.164 1.00 27.69 ? 148 TYR B CA 1 ATOM 2439 C C . TYR B 1 148 ? -17.201 27.498 -43.573 1.00 26.29 ? 148 TYR B C 1 ATOM 2440 O O . TYR B 1 148 ? -16.996 26.885 -44.634 1.00 26.80 ? 148 TYR B O 1 ATOM 2441 C CB . TYR B 1 148 ? -19.343 26.800 -42.331 1.00 28.04 ? 148 TYR B CB 1 ATOM 2442 C CG . TYR B 1 148 ? -19.503 25.453 -43.023 1.00 31.69 ? 148 TYR B CG 1 ATOM 2443 C CD1 . TYR B 1 148 ? -18.506 24.466 -42.934 1.00 34.18 ? 148 TYR B CD1 1 ATOM 2444 C CD2 . TYR B 1 148 ? -20.668 25.141 -43.752 1.00 34.79 ? 148 TYR B CD2 1 ATOM 2445 C CE1 . TYR B 1 148 ? -18.643 23.210 -43.587 1.00 36.18 ? 148 TYR B CE1 1 ATOM 2446 C CE2 . TYR B 1 148 ? -20.819 23.879 -44.403 1.00 37.75 ? 148 TYR B CE2 1 ATOM 2447 C CZ . TYR B 1 148 ? -19.804 22.917 -44.316 1.00 37.49 ? 148 TYR B CZ 1 ATOM 2448 O OH . TYR B 1 148 ? -19.927 21.673 -44.941 1.00 39.21 ? 148 TYR B OH 1 ATOM 2449 N N . LEU B 1 149 ? -16.221 27.829 -42.733 1.00 24.37 ? 149 LEU B N 1 ATOM 2450 C CA . LEU B 1 149 ? -14.839 27.493 -43.022 1.00 24.02 ? 149 LEU B CA 1 ATOM 2451 C C . LEU B 1 149 ? -14.644 26.007 -42.716 1.00 25.07 ? 149 LEU B C 1 ATOM 2452 O O . LEU B 1 149 ? -15.154 25.493 -41.711 1.00 26.12 ? 149 LEU B O 1 ATOM 2453 C CB . LEU B 1 149 ? -13.889 28.347 -42.178 1.00 23.01 ? 149 LEU B CB 1 ATOM 2454 C CG . LEU B 1 149 ? -13.780 29.864 -42.429 1.00 22.32 ? 149 LEU B CG 1 ATOM 2455 C CD1 . LEU B 1 149 ? -12.777 30.462 -41.483 1.00 21.91 ? 149 LEU B CD1 1 ATOM 2456 C CD2 . LEU B 1 149 ? -13.339 30.157 -43.845 1.00 25.60 ? 149 LEU B CD2 1 ATOM 2457 N N . ALA B 1 150 ? -13.916 25.301 -43.571 1.00 26.32 ? 150 ALA B N 1 ATOM 2458 C CA . ALA B 1 150 ? -13.667 23.865 -43.349 1.00 27.85 ? 150 ALA B CA 1 ATOM 2459 C C . ALA B 1 150 ? -12.363 23.446 -44.000 1.00 29.55 ? 150 ALA B C 1 ATOM 2460 O O . ALA B 1 150 ? -11.978 24.009 -45.022 1.00 28.02 ? 150 ALA B O 1 ATOM 2461 C CB . ALA B 1 150 ? -14.809 23.026 -43.890 1.00 28.72 ? 150 ALA B CB 1 ATOM 2462 N N . PRO B 1 151 ? -11.651 22.487 -43.387 1.00 31.80 ? 151 PRO B N 1 ATOM 2463 C CA . PRO B 1 151 ? -10.638 21.871 -44.235 1.00 34.44 ? 151 PRO B CA 1 ATOM 2464 C C . PRO B 1 151 ? -11.274 21.438 -45.595 1.00 37.28 ? 151 PRO B C 1 ATOM 2465 O O . PRO B 1 151 ? -12.354 20.797 -45.674 1.00 38.51 ? 151 PRO B O 1 ATOM 2466 C CB . PRO B 1 151 ? -10.150 20.673 -43.418 1.00 35.23 ? 151 PRO B CB 1 ATOM 2467 C CG . PRO B 1 151 ? -10.437 21.034 -41.977 1.00 33.31 ? 151 PRO B CG 1 ATOM 2468 C CD . PRO B 1 151 ? -11.615 22.001 -41.997 1.00 31.50 ? 151 PRO B CD 1 ATOM 2469 N N . ARG B 1 152 ? -10.633 21.872 -46.658 1.00 39.09 ? 152 ARG B N 1 ATOM 2470 C CA . ARG B 1 152 ? -11.131 21.658 -47.992 1.00 42.20 ? 152 ARG B CA 1 ATOM 2471 C C . ARG B 1 152 ? -10.006 21.251 -48.904 1.00 43.81 ? 152 ARG B C 1 ATOM 2472 O O . ARG B 1 152 ? -8.804 21.206 -48.558 1.00 43.45 ? 152 ARG B O 1 ATOM 2473 C CB . ARG B 1 152 ? -11.660 22.955 -48.578 1.00 42.25 ? 152 ARG B CB 1 ATOM 2474 C CG . ARG B 1 152 ? -13.079 23.290 -48.292 1.00 45.69 ? 152 ARG B CG 1 ATOM 2475 C CD . ARG B 1 152 ? -13.549 24.219 -49.409 1.00 50.20 ? 152 ARG B CD 1 ATOM 2476 N NE . ARG B 1 152 ? -14.354 23.512 -50.411 1.00 55.46 ? 152 ARG B NE 1 ATOM 2477 C CZ . ARG B 1 152 ? -14.767 24.012 -51.581 1.00 57.41 ? 152 ARG B CZ 1 ATOM 2478 N NH1 . ARG B 1 152 ? -14.452 25.258 -51.956 1.00 56.48 ? 152 ARG B NH1 1 ATOM 2479 N NH2 . ARG B 1 152 ? -15.496 23.244 -52.388 1.00 59.29 ? 152 ARG B NH2 1 ATOM 2480 N N . ASP B 1 153 ? -10.471 20.957 -50.097 1.00 45.68 ? 153 ASP B N 1 ATOM 2481 C CA . ASP B 1 153 ? -9.704 20.792 -51.271 1.00 47.28 ? 153 ASP B CA 1 ATOM 2482 C C . ASP B 1 153 ? -9.126 22.168 -51.708 1.00 45.67 ? 153 ASP B C 1 ATOM 2483 O O . ASP B 1 153 ? -7.908 22.339 -51.846 1.00 45.60 ? 153 ASP B O 1 ATOM 2484 C CB . ASP B 1 153 ? -10.665 20.151 -52.317 1.00 49.67 ? 153 ASP B CB 1 ATOM 2485 C CG . ASP B 1 153 ? -12.179 20.036 -51.798 1.00 53.31 ? 153 ASP B CG 1 ATOM 2486 O OD1 . ASP B 1 153 ? -12.960 21.006 -51.999 1.00 57.31 ? 153 ASP B OD1 1 ATOM 2487 O OD2 . ASP B 1 153 ? -12.599 18.985 -51.223 1.00 53.51 ? 153 ASP B OD2 1 ATOM 2488 N N . ARG B 1 154 ? -10.000 23.149 -51.897 1.00 44.16 ? 154 ARG B N 1 ATOM 2489 C CA . ARG B 1 154 ? -9.594 24.430 -52.466 1.00 42.71 ? 154 ARG B CA 1 ATOM 2490 C C . ARG B 1 154 ? -9.468 25.489 -51.352 1.00 39.18 ? 154 ARG B C 1 ATOM 2491 O O . ARG B 1 154 ? -10.455 25.752 -50.650 1.00 38.32 ? 154 ARG B O 1 ATOM 2492 C CB . ARG B 1 154 ? -10.602 24.832 -53.576 1.00 45.01 ? 154 ARG B CB 1 ATOM 2493 C CG . ARG B 1 154 ? -10.893 26.347 -53.772 1.00 48.13 ? 154 ARG B CG 1 ATOM 2494 C CD . ARG B 1 154 ? -11.755 26.637 -55.033 1.00 54.11 ? 154 ARG B CD 1 ATOM 2495 N NE . ARG B 1 154 ? -13.199 26.426 -54.855 1.00 56.85 ? 154 ARG B NE 1 ATOM 2496 C CZ . ARG B 1 154 ? -13.936 25.514 -55.496 1.00 59.98 ? 154 ARG B CZ 1 ATOM 2497 N NH1 . ARG B 1 154 ? -13.404 24.685 -56.383 1.00 61.48 ? 154 ARG B NH1 1 ATOM 2498 N NH2 . ARG B 1 154 ? -15.232 25.429 -55.249 1.00 61.88 ? 154 ARG B NH2 1 ATOM 2499 N N . PRO B 1 155 ? -8.256 26.100 -51.193 1.00 36.36 ? 155 PRO B N 1 ATOM 2500 C CA . PRO B 1 155 ? -8.090 27.109 -50.126 1.00 33.08 ? 155 PRO B CA 1 ATOM 2501 C C . PRO B 1 155 ? -8.914 28.358 -50.417 1.00 31.11 ? 155 PRO B C 1 ATOM 2502 O O . PRO B 1 155 ? -9.101 28.711 -51.576 1.00 30.01 ? 155 PRO B O 1 ATOM 2503 C CB . PRO B 1 155 ? -6.586 27.440 -50.163 1.00 33.11 ? 155 PRO B CB 1 ATOM 2504 C CG . PRO B 1 155 ? -6.163 27.116 -51.595 1.00 34.24 ? 155 PRO B CG 1 ATOM 2505 C CD . PRO B 1 155 ? -7.048 25.975 -52.044 1.00 36.43 ? 155 PRO B CD 1 ATOM 2506 N N . LEU B 1 156 ? -9.428 28.993 -49.369 1.00 28.35 ? 156 LEU B N 1 ATOM 2507 C CA . LEU B 1 156 ? -9.901 30.364 -49.497 1.00 27.65 ? 156 LEU B CA 1 ATOM 2508 C C . LEU B 1 156 ? -8.703 31.334 -49.473 1.00 26.80 ? 156 LEU B C 1 ATOM 2509 O O . LEU B 1 156 ? -7.986 31.397 -48.473 1.00 25.81 ? 156 LEU B O 1 ATOM 2510 C CB . LEU B 1 156 ? -10.906 30.723 -48.383 1.00 27.01 ? 156 LEU B CB 1 ATOM 2511 C CG . LEU B 1 156 ? -11.434 32.159 -48.394 1.00 29.36 ? 156 LEU B CG 1 ATOM 2512 C CD1 . LEU B 1 156 ? -12.291 32.417 -49.655 1.00 32.49 ? 156 LEU B CD1 1 ATOM 2513 C CD2 . LEU B 1 156 ? -12.224 32.494 -47.136 1.00 31.08 ? 156 LEU B CD2 1 ATOM 2514 N N . ALA B 1 157 ? -8.459 32.082 -50.556 1.00 25.80 ? 157 ALA B N 1 ATOM 2515 C CA . ALA B 1 157 ? -7.412 33.133 -50.483 1.00 24.62 ? 157 ALA B CA 1 ATOM 2516 C C . ALA B 1 157 ? -7.856 34.205 -49.470 1.00 23.42 ? 157 ALA B C 1 ATOM 2517 O O . ALA B 1 157 ? -8.971 34.741 -49.581 1.00 23.25 ? 157 ALA B O 1 ATOM 2518 C CB . ALA B 1 157 ? -7.145 33.751 -51.848 1.00 25.64 ? 157 ALA B CB 1 ATOM 2519 N N . VAL B 1 158 ? -7.007 34.510 -48.475 1.00 21.99 ? 158 VAL B N 1 ATOM 2520 C CA . VAL B 1 158 ? -7.367 35.517 -47.426 1.00 19.53 ? 158 VAL B CA 1 ATOM 2521 C C . VAL B 1 158 ? -6.305 36.602 -47.210 1.00 20.35 ? 158 VAL B C 1 ATOM 2522 O O . VAL B 1 158 ? -5.151 36.448 -47.615 1.00 19.98 ? 158 VAL B O 1 ATOM 2523 C CB . VAL B 1 158 ? -7.671 34.874 -46.036 1.00 18.76 ? 158 VAL B CB 1 ATOM 2524 C CG1 . VAL B 1 158 ? -8.933 33.942 -46.111 1.00 15.12 ? 158 VAL B CG1 1 ATOM 2525 C CG2 . VAL B 1 158 ? -6.421 34.132 -45.512 1.00 17.57 ? 158 VAL B CG2 1 ATOM 2526 N N . ARG B 1 159 ? -6.734 37.693 -46.581 1.00 18.95 ? 159 ARG B N 1 ATOM 2527 C CA . ARG B 1 159 ? -5.846 38.728 -46.119 1.00 20.31 ? 159 ARG B CA 1 ATOM 2528 C C . ARG B 1 159 ? -6.213 39.054 -44.674 1.00 20.84 ? 159 ARG B C 1 ATOM 2529 O O . ARG B 1 159 ? -7.289 38.689 -44.192 1.00 21.38 ? 159 ARG B O 1 ATOM 2530 C CB . ARG B 1 159 ? -5.979 39.993 -46.959 1.00 20.60 ? 159 ARG B CB 1 ATOM 2531 C CG . ARG B 1 159 ? -7.393 40.586 -46.978 1.00 24.61 ? 159 ARG B CG 1 ATOM 2532 C CD . ARG B 1 159 ? -7.587 41.540 -48.127 1.00 31.55 ? 159 ARG B CD 1 ATOM 2533 N NE . ARG B 1 159 ? -8.998 41.716 -48.472 1.00 37.42 ? 159 ARG B NE 1 ATOM 2534 C CZ . ARG B 1 159 ? -9.740 42.769 -48.131 1.00 44.15 ? 159 ARG B CZ 1 ATOM 2535 N NH1 . ARG B 1 159 ? -9.221 43.767 -47.409 1.00 46.42 ? 159 ARG B NH1 1 ATOM 2536 N NH2 . ARG B 1 159 ? -11.014 42.836 -48.513 1.00 46.40 ? 159 ARG B NH2 1 ATOM 2537 N N . PHE B 1 160 ? -5.311 39.761 -44.003 1.00 22.35 ? 160 PHE B N 1 ATOM 2538 C CA . PHE B 1 160 ? -5.510 40.141 -42.600 1.00 22.17 ? 160 PHE B CA 1 ATOM 2539 C C . PHE B 1 160 ? -5.450 41.649 -42.463 1.00 23.48 ? 160 PHE B C 1 ATOM 2540 O O . PHE B 1 160 ? -4.563 42.313 -43.003 1.00 23.77 ? 160 PHE B O 1 ATOM 2541 C CB . PHE B 1 160 ? -4.478 39.432 -41.734 1.00 22.05 ? 160 PHE B CB 1 ATOM 2542 C CG . PHE B 1 160 ? -4.358 37.969 -42.044 1.00 19.84 ? 160 PHE B CG 1 ATOM 2543 C CD1 . PHE B 1 160 ? -5.273 37.036 -41.521 1.00 18.66 ? 160 PHE B CD1 1 ATOM 2544 C CD2 . PHE B 1 160 ? -3.348 37.510 -42.898 1.00 20.26 ? 160 PHE B CD2 1 ATOM 2545 C CE1 . PHE B 1 160 ? -5.179 35.677 -41.837 1.00 21.57 ? 160 PHE B CE1 1 ATOM 2546 C CE2 . PHE B 1 160 ? -3.230 36.153 -43.190 1.00 17.80 ? 160 PHE B CE2 1 ATOM 2547 C CZ . PHE B 1 160 ? -4.158 35.223 -42.674 1.00 16.23 ? 160 PHE B CZ 1 ATOM 2548 N N . THR B 1 161 ? -6.404 42.207 -41.746 1.00 22.82 ? 161 THR B N 1 ATOM 2549 C CA . THR B 1 161 ? -6.358 43.613 -41.517 1.00 23.98 ? 161 THR B CA 1 ATOM 2550 C C . THR B 1 161 ? -6.581 43.920 -40.040 1.00 24.49 ? 161 THR B C 1 ATOM 2551 O O . THR B 1 161 ? -7.426 43.289 -39.373 1.00 23.38 ? 161 THR B O 1 ATOM 2552 C CB . THR B 1 161 ? -7.353 44.323 -42.408 1.00 25.50 ? 161 THR B CB 1 ATOM 2553 O OG1 . THR B 1 161 ? -7.007 45.717 -42.451 1.00 29.91 ? 161 THR B OG1 1 ATOM 2554 C CG2 . THR B 1 161 ? -8.800 44.081 -41.887 1.00 24.42 ? 161 THR B CG2 1 ATOM 2555 N N . ARG B 1 162 ? -5.801 44.846 -39.511 1.00 25.07 ? 162 ARG B N 1 ATOM 2556 C CA . ARG B 1 162 ? -5.825 45.086 -38.077 1.00 27.61 ? 162 ARG B CA 1 ATOM 2557 C C . ARG B 1 162 ? -7.178 45.634 -37.575 1.00 28.09 ? 162 ARG B C 1 ATOM 2558 O O . ARG B 1 162 ? -7.813 46.441 -38.255 1.00 28.27 ? 162 ARG B O 1 ATOM 2559 C CB . ARG B 1 162 ? -4.675 45.989 -37.663 1.00 27.99 ? 162 ARG B CB 1 ATOM 2560 C CG . ARG B 1 162 ? -4.347 45.798 -36.201 1.00 34.04 ? 162 ARG B CG 1 ATOM 2561 C CD . ARG B 1 162 ? -2.881 45.685 -35.956 1.00 34.75 ? 162 ARG B CD 1 ATOM 2562 N NE . ARG B 1 162 ? -2.567 46.360 -34.712 1.00 40.82 ? 162 ARG B NE 1 ATOM 2563 C CZ . ARG B 1 162 ? -1.411 46.952 -34.455 1.00 41.75 ? 162 ARG B CZ 1 ATOM 2564 N NH1 . ARG B 1 162 ? -0.443 46.951 -35.367 1.00 43.36 ? 162 ARG B NH1 1 ATOM 2565 N NH2 . ARG B 1 162 ? -1.227 47.533 -33.277 1.00 44.34 ? 162 ARG B NH2 1 ATOM 2566 N N . ALA B 1 163 ? -7.624 45.134 -36.417 1.00 29.25 ? 163 ALA B N 1 ATOM 2567 C CA . ALA B 1 163 ? -8.891 45.552 -35.776 1.00 30.74 ? 163 ALA B CA 1 ATOM 2568 C C . ALA B 1 163 ? -8.550 46.573 -34.701 1.00 33.11 ? 163 ALA B C 1 ATOM 2569 O O . ALA B 1 163 ? -7.415 46.521 -34.192 1.00 32.55 ? 163 ALA B O 1 ATOM 2570 C CB . ALA B 1 163 ? -9.568 44.340 -35.137 1.00 29.60 ? 163 ALA B CB 1 ATOM 2571 N N . SER B 1 164 ? -9.447 47.494 -34.304 1.00 36.13 ? 164 SER B N 1 ATOM 2572 C CA . SER B 1 164 ? -10.927 47.686 -34.606 1.00 39.50 ? 164 SER B CA 1 ATOM 2573 C C . SER B 1 164 ? -11.589 47.546 -35.986 1.00 39.25 ? 164 SER B C 1 ATOM 2574 O O . SER B 1 164 ? -12.800 47.823 -36.103 1.00 39.93 ? 164 SER B O 1 ATOM 2575 C CB . SER B 1 164 ? -11.418 49.052 -34.049 1.00 41.53 ? 164 SER B CB 1 ATOM 2576 O OG . SER B 1 164 ? -10.919 49.295 -32.735 1.00 44.17 ? 164 SER B OG 1 HETATM 2577 S S . SO4 C 2 . ? -22.159 38.920 5.574 1.00 61.25 ? 201 SO4 A S 1 HETATM 2578 O O1 . SO4 C 2 . ? -22.933 38.132 6.547 1.00 61.28 ? 201 SO4 A O1 1 HETATM 2579 O O2 . SO4 C 2 . ? -21.986 40.281 6.087 1.00 62.49 ? 201 SO4 A O2 1 HETATM 2580 O O3 . SO4 C 2 . ? -20.841 38.313 5.397 1.00 60.50 ? 201 SO4 A O3 1 HETATM 2581 O O4 . SO4 C 2 . ? -22.862 39.016 4.301 1.00 57.59 ? 201 SO4 A O4 1 HETATM 2582 S S . SO4 D 2 . ? -16.685 7.037 -7.224 1.00 67.52 ? 202 SO4 A S 1 HETATM 2583 O O1 . SO4 D 2 . ? -17.200 7.854 -6.134 1.00 67.93 ? 202 SO4 A O1 1 HETATM 2584 O O2 . SO4 D 2 . ? -15.248 6.802 -7.024 1.00 67.40 ? 202 SO4 A O2 1 HETATM 2585 O O3 . SO4 D 2 . ? -17.414 5.770 -7.250 1.00 70.58 ? 202 SO4 A O3 1 HETATM 2586 O O4 . SO4 D 2 . ? -16.921 7.748 -8.482 1.00 67.46 ? 202 SO4 A O4 1 HETATM 2587 S S . SO4 E 2 . ? 0.196 36.788 0.687 0.50 34.74 ? 203 SO4 A S 1 HETATM 2588 O O1 . SO4 E 2 . ? -0.914 35.886 0.955 0.50 34.27 ? 203 SO4 A O1 1 HETATM 2589 O O2 . SO4 E 2 . ? 0.857 37.181 1.917 0.50 33.24 ? 203 SO4 A O2 1 HETATM 2590 O O3 . SO4 E 2 . ? 1.135 36.172 -0.246 0.50 35.83 ? 203 SO4 A O3 1 HETATM 2591 O O4 . SO4 E 2 . ? -0.358 37.973 0.042 0.50 36.55 ? 203 SO4 A O4 1 HETATM 2592 S S . SO4 F 2 . ? -13.931 43.123 -3.615 1.00 48.02 ? 204 SO4 A S 1 HETATM 2593 O O1 . SO4 F 2 . ? -14.956 44.101 -3.206 1.00 49.37 ? 204 SO4 A O1 1 HETATM 2594 O O2 . SO4 F 2 . ? -13.754 42.100 -2.545 1.00 44.02 ? 204 SO4 A O2 1 HETATM 2595 O O3 . SO4 F 2 . ? -14.366 42.516 -4.884 1.00 46.16 ? 204 SO4 A O3 1 HETATM 2596 O O4 . SO4 F 2 . ? -12.680 43.861 -3.838 1.00 49.66 ? 204 SO4 A O4 1 HETATM 2597 S S . SO4 G 2 . ? -16.160 17.419 6.112 1.00 78.14 ? 205 SO4 A S 1 HETATM 2598 O O1 . SO4 G 2 . ? -15.202 17.064 5.058 1.00 76.50 ? 205 SO4 A O1 1 HETATM 2599 O O2 . SO4 G 2 . ? -17.375 17.984 5.518 1.00 76.53 ? 205 SO4 A O2 1 HETATM 2600 O O3 . SO4 G 2 . ? -16.528 16.220 6.869 1.00 79.57 ? 205 SO4 A O3 1 HETATM 2601 O O4 . SO4 G 2 . ? -15.573 18.390 7.045 1.00 78.10 ? 205 SO4 A O4 1 HETATM 2602 C C1 . NAG H 3 . ? -17.258 46.198 -18.319 1.00 44.03 ? 206 NAG A C1 1 HETATM 2603 C C2 . NAG H 3 . ? -18.080 47.483 -18.211 1.00 48.97 ? 206 NAG A C2 1 HETATM 2604 C C3 . NAG H 3 . ? -19.050 47.619 -19.379 1.00 52.46 ? 206 NAG A C3 1 HETATM 2605 C C4 . NAG H 3 . ? -18.352 47.395 -20.713 1.00 50.63 ? 206 NAG A C4 1 HETATM 2606 C C5 . NAG H 3 . ? -17.564 46.090 -20.725 1.00 46.97 ? 206 NAG A C5 1 HETATM 2607 C C6 . NAG H 3 . ? -16.602 46.133 -21.891 1.00 49.50 ? 206 NAG A C6 1 HETATM 2608 C C7 . NAG H 3 . ? -18.536 48.081 -15.874 1.00 52.31 ? 206 NAG A C7 1 HETATM 2609 C C8 . NAG H 3 . ? -19.508 47.997 -14.735 1.00 51.94 ? 206 NAG A C8 1 HETATM 2610 N N2 . NAG H 3 . ? -18.893 47.479 -17.008 1.00 50.52 ? 206 NAG A N2 1 HETATM 2611 O O3 . NAG H 3 . ? -19.637 48.904 -19.357 1.00 61.02 ? 206 NAG A O3 1 HETATM 2612 O O4 . NAG H 3 . ? -19.303 47.376 -21.755 1.00 50.78 ? 206 NAG A O4 1 HETATM 2613 O O5 . NAG H 3 . ? -16.727 45.983 -19.610 1.00 44.00 ? 206 NAG A O5 1 HETATM 2614 O O6 . NAG H 3 . ? -17.165 45.340 -22.896 1.00 51.68 ? 206 NAG A O6 1 HETATM 2615 O O7 . NAG H 3 . ? -17.463 48.672 -15.741 1.00 53.63 ? 206 NAG A O7 1 HETATM 2616 C C1 . NAG I 3 . ? -19.048 48.466 -22.666 1.00 54.61 ? 207 NAG A C1 1 HETATM 2617 C C2 . NAG I 3 . ? -19.713 48.200 -24.023 1.00 55.00 ? 207 NAG A C2 1 HETATM 2618 C C3 . NAG I 3 . ? -19.563 49.367 -24.997 1.00 57.04 ? 207 NAG A C3 1 HETATM 2619 C C4 . NAG I 3 . ? -19.836 50.719 -24.305 1.00 58.96 ? 207 NAG A C4 1 HETATM 2620 C C5 . NAG I 3 . ? -19.066 50.802 -22.974 1.00 57.62 ? 207 NAG A C5 1 HETATM 2621 C C6 . NAG I 3 . ? -19.231 52.121 -22.232 1.00 57.65 ? 207 NAG A C6 1 HETATM 2622 C C7 . NAG I 3 . ? -19.996 45.932 -24.819 1.00 55.64 ? 207 NAG A C7 1 HETATM 2623 C C8 . NAG I 3 . ? -19.401 44.755 -25.541 1.00 54.80 ? 207 NAG A C8 1 HETATM 2624 N N2 . NAG I 3 . ? -19.225 47.011 -24.691 1.00 54.64 ? 207 NAG A N2 1 HETATM 2625 O O3 . NAG I 3 . ? -20.447 49.111 -26.070 1.00 57.48 ? 207 NAG A O3 1 HETATM 2626 O O4 . NAG I 3 . ? -19.524 51.815 -25.156 1.00 59.89 ? 207 NAG A O4 1 HETATM 2627 O O5 . NAG I 3 . ? -19.449 49.725 -22.128 1.00 54.78 ? 207 NAG A O5 1 HETATM 2628 O O6 . NAG I 3 . ? -20.520 52.153 -21.680 1.00 57.29 ? 207 NAG A O6 1 HETATM 2629 O O7 . NAG I 3 . ? -21.138 45.857 -24.364 1.00 55.88 ? 207 NAG A O7 1 HETATM 2630 C C1 . FUC J 4 . ? -20.938 48.831 -18.722 1.00 65.53 ? 208 FUC A C1 1 HETATM 2631 C C2 . FUC J 4 . ? -21.268 50.154 -18.011 1.00 69.91 ? 208 FUC A C2 1 HETATM 2632 C C3 . FUC J 4 . ? -21.714 51.245 -18.987 1.00 73.16 ? 208 FUC A C3 1 HETATM 2633 C C4 . FUC J 4 . ? -22.719 50.709 -20.012 1.00 73.43 ? 208 FUC A C4 1 HETATM 2634 C C5 . FUC J 4 . ? -22.168 49.423 -20.649 1.00 70.96 ? 208 FUC A C5 1 HETATM 2635 C C6 . FUC J 4 . ? -23.043 48.864 -21.776 1.00 71.57 ? 208 FUC A C6 1 HETATM 2636 O O2 . FUC J 4 . ? -20.162 50.645 -17.280 1.00 71.30 ? 208 FUC A O2 1 HETATM 2637 O O3 . FUC J 4 . ? -22.254 52.343 -18.270 1.00 76.06 ? 208 FUC A O3 1 HETATM 2638 O O4 . FUC J 4 . ? -23.938 50.441 -19.347 1.00 73.91 ? 208 FUC A O4 1 HETATM 2639 O O5 . FUC J 4 . ? -21.964 48.459 -19.628 1.00 67.72 ? 208 FUC A O5 1 HETATM 2640 C C1 . GOL K 5 . ? -9.657 19.803 -16.692 1.00 46.61 ? 209 GOL A C1 1 HETATM 2641 O O1 . GOL K 5 . ? -10.867 20.304 -17.217 1.00 46.44 ? 209 GOL A O1 1 HETATM 2642 C C2 . GOL K 5 . ? -8.571 19.908 -17.730 1.00 46.37 ? 209 GOL A C2 1 HETATM 2643 O O2 . GOL K 5 . ? -8.959 20.985 -18.536 1.00 48.44 ? 209 GOL A O2 1 HETATM 2644 C C3 . GOL K 5 . ? -8.503 18.659 -18.590 1.00 48.04 ? 209 GOL A C3 1 HETATM 2645 O O3 . GOL K 5 . ? -8.463 17.487 -17.800 1.00 47.96 ? 209 GOL A O3 1 HETATM 2646 C C1 . GOL L 5 . ? -5.405 23.940 4.355 1.00 45.90 ? 210 GOL A C1 1 HETATM 2647 O O1 . GOL L 5 . ? -6.384 23.526 5.266 1.00 43.76 ? 210 GOL A O1 1 HETATM 2648 C C2 . GOL L 5 . ? -5.673 23.021 3.179 1.00 47.52 ? 210 GOL A C2 1 HETATM 2649 O O2 . GOL L 5 . ? -6.015 21.785 3.741 1.00 47.81 ? 210 GOL A O2 1 HETATM 2650 C C3 . GOL L 5 . ? -4.552 22.861 2.134 1.00 48.43 ? 210 GOL A C3 1 HETATM 2651 O O3 . GOL L 5 . ? -4.875 23.565 0.939 1.00 43.92 ? 210 GOL A O3 1 HETATM 2652 C C1 . NAG M 3 . ? -29.173 8.291 -15.842 1.00 62.41 ? 211 NAG A C1 1 HETATM 2653 C C2 . NAG M 3 . ? -28.975 6.768 -15.743 1.00 68.21 ? 211 NAG A C2 1 HETATM 2654 C C3 . NAG M 3 . ? -30.250 6.000 -16.104 1.00 70.45 ? 211 NAG A C3 1 HETATM 2655 C C4 . NAG M 3 . ? -31.423 6.585 -15.305 1.00 69.73 ? 211 NAG A C4 1 HETATM 2656 C C5 . NAG M 3 . ? -31.545 8.076 -15.652 1.00 66.41 ? 211 NAG A C5 1 HETATM 2657 C C6 . NAG M 3 . ? -32.772 8.774 -15.063 1.00 65.93 ? 211 NAG A C6 1 HETATM 2658 C C7 . NAG M 3 . ? -26.633 6.111 -16.007 1.00 72.38 ? 211 NAG A C7 1 HETATM 2659 C C8 . NAG M 3 . ? -25.518 5.767 -16.959 1.00 72.78 ? 211 NAG A C8 1 HETATM 2660 N N2 . NAG M 3 . ? -27.825 6.400 -16.558 1.00 70.77 ? 211 NAG A N2 1 HETATM 2661 O O3 . NAG M 3 . ? -30.100 4.616 -15.852 1.00 73.57 ? 211 NAG A O3 1 HETATM 2662 O O4 . NAG M 3 . ? -32.625 5.872 -15.536 1.00 72.58 ? 211 NAG A O4 1 HETATM 2663 O O5 . NAG M 3 . ? -30.371 8.715 -15.195 1.00 64.01 ? 211 NAG A O5 1 HETATM 2664 O O6 . NAG M 3 . ? -32.781 8.651 -13.656 1.00 63.73 ? 211 NAG A O6 1 HETATM 2665 O O7 . NAG M 3 . ? -26.424 6.105 -14.785 1.00 72.26 ? 211 NAG A O7 1 HETATM 2666 S S . SO4 N 2 . ? -23.637 16.462 -36.817 1.00 73.02 ? 201 SO4 B S 1 HETATM 2667 O O1 . SO4 N 2 . ? -24.411 16.027 -35.655 1.00 73.86 ? 201 SO4 B O1 1 HETATM 2668 O O2 . SO4 N 2 . ? -22.239 16.142 -36.541 1.00 72.49 ? 201 SO4 B O2 1 HETATM 2669 O O3 . SO4 N 2 . ? -24.085 15.723 -37.999 1.00 72.99 ? 201 SO4 B O3 1 HETATM 2670 O O4 . SO4 N 2 . ? -23.783 17.906 -37.030 1.00 71.19 ? 201 SO4 B O4 1 HETATM 2671 S S . SO4 O 2 . ? -8.949 20.488 -29.169 1.00 70.61 ? 202 SO4 B S 1 HETATM 2672 O O1 . SO4 O 2 . ? -10.359 20.759 -29.433 1.00 69.61 ? 202 SO4 B O1 1 HETATM 2673 O O2 . SO4 O 2 . ? -8.769 20.054 -27.778 1.00 71.06 ? 202 SO4 B O2 1 HETATM 2674 O O3 . SO4 O 2 . ? -8.488 19.437 -30.074 1.00 70.65 ? 202 SO4 B O3 1 HETATM 2675 O O4 . SO4 O 2 . ? -8.192 21.724 -29.391 1.00 70.71 ? 202 SO4 B O4 1 HETATM 2676 S S . SO4 P 2 . ? 6.329 19.816 -40.446 1.00 67.78 ? 203 SO4 B S 1 HETATM 2677 O O1 . SO4 P 2 . ? 5.655 20.891 -39.725 1.00 67.70 ? 203 SO4 B O1 1 HETATM 2678 O O2 . SO4 P 2 . ? 7.767 19.951 -40.219 1.00 69.18 ? 203 SO4 B O2 1 HETATM 2679 O O3 . SO4 P 2 . ? 5.866 18.533 -39.920 1.00 67.84 ? 203 SO4 B O3 1 HETATM 2680 O O4 . SO4 P 2 . ? 6.056 19.933 -41.876 1.00 67.00 ? 203 SO4 B O4 1 HETATM 2681 S S . SO4 Q 2 . ? -7.537 32.242 -55.345 1.00 66.92 ? 204 SO4 B S 1 HETATM 2682 O O1 . SO4 Q 2 . ? -7.273 31.251 -54.297 1.00 66.79 ? 204 SO4 B O1 1 HETATM 2683 O O2 . SO4 Q 2 . ? -6.613 33.379 -55.262 1.00 65.94 ? 204 SO4 B O2 1 HETATM 2684 O O3 . SO4 Q 2 . ? -7.373 31.594 -56.643 1.00 68.68 ? 204 SO4 B O3 1 HETATM 2685 O O4 . SO4 Q 2 . ? -8.914 32.712 -55.182 1.00 67.56 ? 204 SO4 B O4 1 HETATM 2686 S S . SO4 R 2 . ? -2.576 25.623 -53.007 1.00 99.88 ? 205 SO4 B S 1 HETATM 2687 O O1 . SO4 R 2 . ? -1.845 24.406 -53.369 1.00 100.30 ? 205 SO4 B O1 1 HETATM 2688 O O2 . SO4 R 2 . ? -3.736 25.785 -53.882 1.00 100.19 ? 205 SO4 B O2 1 HETATM 2689 O O3 . SO4 R 2 . ? -3.072 25.517 -51.640 1.00 99.63 ? 205 SO4 B O3 1 HETATM 2690 O O4 . SO4 R 2 . ? -1.691 26.785 -53.109 1.00 99.05 ? 205 SO4 B O4 1 HETATM 2691 C C1 . GOL S 5 . ? -25.148 35.574 -45.191 1.00 54.06 ? 206 GOL B C1 1 HETATM 2692 O O1 . GOL S 5 . ? -25.240 34.158 -45.213 1.00 51.66 ? 206 GOL B O1 1 HETATM 2693 C C2 . GOL S 5 . ? -25.267 36.196 -43.793 1.00 52.96 ? 206 GOL B C2 1 HETATM 2694 O O2 . GOL S 5 . ? -26.596 36.204 -43.306 1.00 56.38 ? 206 GOL B O2 1 HETATM 2695 C C3 . GOL S 5 . ? -24.780 37.628 -43.848 1.00 53.02 ? 206 GOL B C3 1 HETATM 2696 O O3 . GOL S 5 . ? -25.547 38.483 -43.054 1.00 54.80 ? 206 GOL B O3 1 HETATM 2697 C C1 . GOL T 5 . ? -17.821 36.836 -51.458 1.00 81.21 ? 207 GOL B C1 1 HETATM 2698 O O1 . GOL T 5 . ? -19.019 37.528 -51.170 1.00 81.13 ? 207 GOL B O1 1 HETATM 2699 C C2 . GOL T 5 . ? -18.076 35.531 -52.222 1.00 81.99 ? 207 GOL B C2 1 HETATM 2700 O O2 . GOL T 5 . ? -18.367 35.800 -53.584 1.00 83.43 ? 207 GOL B O2 1 HETATM 2701 C C3 . GOL T 5 . ? -19.145 34.650 -51.555 1.00 81.72 ? 207 GOL B C3 1 HETATM 2702 O O3 . GOL T 5 . ? -18.583 33.714 -50.646 1.00 78.84 ? 207 GOL B O3 1 HETATM 2703 C C1 . NAG U 3 . ? -26.602 41.256 -28.332 1.00 49.81 ? 208 NAG B C1 1 HETATM 2704 C C2 . NAG U 3 . ? -27.441 42.562 -28.211 1.00 55.87 ? 208 NAG B C2 1 HETATM 2705 C C3 . NAG U 3 . ? -26.896 43.575 -27.168 1.00 55.65 ? 208 NAG B C3 1 HETATM 2706 C C4 . NAG U 3 . ? -26.863 42.834 -25.828 1.00 53.10 ? 208 NAG B C4 1 HETATM 2707 C C5 . NAG U 3 . ? -25.937 41.631 -25.996 1.00 50.89 ? 208 NAG B C5 1 HETATM 2708 C C6 . NAG U 3 . ? -25.793 40.896 -24.666 1.00 50.25 ? 208 NAG B C6 1 HETATM 2709 C C7 . NAG U 3 . ? -27.176 43.637 -30.493 1.00 62.10 ? 208 NAG B C7 1 HETATM 2710 C C8 . NAG U 3 . ? -27.985 44.156 -31.648 1.00 63.79 ? 208 NAG B C8 1 HETATM 2711 N N2 . NAG U 3 . ? -27.902 43.145 -29.482 1.00 59.36 ? 208 NAG B N2 1 HETATM 2712 O O3 . NAG U 3 . ? -27.684 44.764 -27.097 1.00 58.39 ? 208 NAG B O3 1 HETATM 2713 O O4 . NAG U 3 . ? -26.485 43.628 -24.712 1.00 52.82 ? 208 NAG B O4 1 HETATM 2714 O O5 . NAG U 3 . ? -26.408 40.738 -27.007 1.00 49.44 ? 208 NAG B O5 1 HETATM 2715 O O6 . NAG U 3 . ? -26.867 40.005 -24.480 1.00 51.38 ? 208 NAG B O6 1 HETATM 2716 O O7 . NAG U 3 . ? -25.940 43.691 -30.531 1.00 62.99 ? 208 NAG B O7 1 HETATM 2717 C C1 . NAG V 3 . ? 11.920 30.245 -31.620 1.00 55.41 ? 209 NAG B C1 1 HETATM 2718 C C2 . NAG V 3 . ? 12.743 28.973 -31.333 1.00 60.89 ? 209 NAG B C2 1 HETATM 2719 C C3 . NAG V 3 . ? 14.258 29.264 -31.280 1.00 62.96 ? 209 NAG B C3 1 HETATM 2720 C C4 . NAG V 3 . ? 14.718 29.985 -32.558 1.00 63.03 ? 209 NAG B C4 1 HETATM 2721 C C5 . NAG V 3 . ? 13.829 31.218 -32.824 1.00 60.76 ? 209 NAG B C5 1 HETATM 2722 C C6 . NAG V 3 . ? 14.181 31.885 -34.165 1.00 61.14 ? 209 NAG B C6 1 HETATM 2723 C C7 . NAG V 3 . ? 11.526 27.212 -30.133 1.00 63.93 ? 209 NAG B C7 1 HETATM 2724 C C8 . NAG V 3 . ? 11.107 26.695 -28.785 1.00 64.69 ? 209 NAG B C8 1 HETATM 2725 N N2 . NAG V 3 . ? 12.255 28.333 -30.118 1.00 62.85 ? 209 NAG B N2 1 HETATM 2726 O O3 . NAG V 3 . ? 15.017 28.081 -31.082 1.00 65.27 ? 209 NAG B O3 1 HETATM 2727 O O4 . NAG V 3 . ? 16.102 30.330 -32.519 1.00 64.00 ? 209 NAG B O4 1 HETATM 2728 O O5 . NAG V 3 . ? 12.434 30.903 -32.781 1.00 57.81 ? 209 NAG B O5 1 HETATM 2729 O O6 . NAG V 3 . ? 13.401 31.412 -35.247 1.00 59.05 ? 209 NAG B O6 1 HETATM 2730 O O7 . NAG V 3 . ? 11.204 26.611 -31.167 1.00 64.31 ? 209 NAG B O7 1 HETATM 2731 O O . HOH W 6 . ? -10.262 30.187 -7.307 1.00 14.86 ? 301 HOH A O 1 HETATM 2732 O O . HOH W 6 . ? -16.691 21.560 -14.435 1.00 13.97 ? 302 HOH A O 1 HETATM 2733 O O . HOH W 6 . ? -8.835 18.261 -6.687 1.00 17.18 ? 303 HOH A O 1 HETATM 2734 O O . HOH W 6 . ? -12.211 16.083 -12.231 1.00 20.91 ? 304 HOH A O 1 HETATM 2735 O O . HOH W 6 . ? -10.454 26.277 -22.256 1.00 18.24 ? 305 HOH A O 1 HETATM 2736 O O . HOH W 6 . ? -17.710 23.982 -0.720 1.00 14.78 ? 306 HOH A O 1 HETATM 2737 O O . HOH W 6 . ? -21.975 31.916 -8.133 1.00 16.31 ? 307 HOH A O 1 HETATM 2738 O O . HOH W 6 . ? -27.909 24.357 -12.886 1.00 18.37 ? 308 HOH A O 1 HETATM 2739 O O . HOH W 6 . ? -22.006 34.143 -6.117 1.00 13.94 ? 309 HOH A O 1 HETATM 2740 O O . HOH W 6 . ? -29.864 31.063 -0.610 1.00 22.51 ? 310 HOH A O 1 HETATM 2741 O O . HOH W 6 . ? -27.625 36.588 -0.736 1.00 22.40 ? 311 HOH A O 1 HETATM 2742 O O . HOH W 6 . ? -23.392 16.026 -7.170 1.00 17.69 ? 312 HOH A O 1 HETATM 2743 O O . HOH W 6 . ? -19.167 32.581 -9.346 1.00 23.48 ? 313 HOH A O 1 HETATM 2744 O O . HOH W 6 . ? -10.918 31.112 -18.518 1.00 19.69 ? 314 HOH A O 1 HETATM 2745 O O . HOH W 6 . ? -19.623 32.340 -12.008 1.00 18.66 ? 315 HOH A O 1 HETATM 2746 O O . HOH W 6 . ? -12.018 38.650 -2.005 1.00 20.17 ? 316 HOH A O 1 HETATM 2747 O O . HOH W 6 . ? -26.953 30.847 7.423 1.00 19.73 ? 317 HOH A O 1 HETATM 2748 O O . HOH W 6 . ? -11.292 24.112 -23.463 1.00 24.70 ? 318 HOH A O 1 HETATM 2749 O O . HOH W 6 . ? -29.084 35.008 -2.569 1.00 21.00 ? 319 HOH A O 1 HETATM 2750 O O . HOH W 6 . ? -22.016 23.060 -16.525 1.00 22.51 ? 320 HOH A O 1 HETATM 2751 O O . HOH W 6 . ? -3.166 21.816 -2.761 1.00 20.53 ? 321 HOH A O 1 HETATM 2752 O O . HOH W 6 . ? -30.961 19.108 -6.516 1.00 32.13 ? 322 HOH A O 1 HETATM 2753 O O . HOH W 6 . ? -25.464 38.199 -1.869 1.00 20.34 ? 323 HOH A O 1 HETATM 2754 O O . HOH W 6 . ? -7.620 29.306 -15.737 1.00 26.12 ? 324 HOH A O 1 HETATM 2755 O O . HOH W 6 . ? -29.247 26.316 -0.950 1.00 21.88 ? 325 HOH A O 1 HETATM 2756 O O . HOH W 6 . ? -33.521 20.984 -15.710 1.00 29.97 ? 326 HOH A O 1 HETATM 2757 O O . HOH W 6 . ? -7.297 27.169 -19.106 1.00 27.74 ? 327 HOH A O 1 HETATM 2758 O O . HOH W 6 . ? -8.380 29.788 -18.304 1.00 30.23 ? 328 HOH A O 1 HETATM 2759 O O . HOH W 6 . ? -5.038 37.109 -0.188 1.00 42.86 ? 329 HOH A O 1 HETATM 2760 O O . HOH W 6 . ? -8.171 14.845 -12.804 1.00 22.51 ? 330 HOH A O 1 HETATM 2761 O O . HOH W 6 . ? -28.381 25.752 -19.912 1.00 30.77 ? 331 HOH A O 1 HETATM 2762 O O . HOH W 6 . ? -11.399 41.096 -1.657 1.00 31.57 ? 332 HOH A O 1 HETATM 2763 O O . HOH W 6 . ? -7.999 17.082 -11.416 1.00 22.30 ? 333 HOH A O 1 HETATM 2764 O O . HOH W 6 . ? -18.149 27.255 5.989 1.00 25.74 ? 334 HOH A O 1 HETATM 2765 O O . HOH W 6 . ? -29.737 13.634 -4.793 1.00 39.17 ? 335 HOH A O 1 HETATM 2766 O O . HOH W 6 . ? -26.529 22.047 -18.407 1.00 30.47 ? 336 HOH A O 1 HETATM 2767 O O . HOH W 6 . ? -16.580 38.427 3.390 1.00 37.45 ? 337 HOH A O 1 HETATM 2768 O O . HOH W 6 . ? -22.415 31.770 -20.210 1.00 30.02 ? 338 HOH A O 1 HETATM 2769 O O . HOH W 6 . ? -8.763 13.706 -4.405 1.00 37.11 ? 339 HOH A O 1 HETATM 2770 O O . HOH W 6 . ? -24.922 28.328 -20.454 1.00 30.27 ? 340 HOH A O 1 HETATM 2771 O O . HOH W 6 . ? -5.486 21.216 -1.340 1.00 30.08 ? 341 HOH A O 1 HETATM 2772 O O . HOH W 6 . ? -3.827 35.493 -7.239 1.00 27.89 ? 342 HOH A O 1 HETATM 2773 O O . HOH W 6 . ? -21.142 38.873 -16.069 1.00 34.51 ? 343 HOH A O 1 HETATM 2774 O O . HOH W 6 . ? -2.496 21.943 -13.255 1.00 28.08 ? 344 HOH A O 1 HETATM 2775 O O . HOH W 6 . ? -23.881 26.457 7.473 1.00 33.93 ? 345 HOH A O 1 HETATM 2776 O O . HOH W 6 . ? -25.361 41.921 -4.828 1.00 32.06 ? 346 HOH A O 1 HETATM 2777 O O . HOH W 6 . ? -20.860 10.095 -10.312 1.00 33.49 ? 347 HOH A O 1 HETATM 2778 O O . HOH W 6 . ? -4.584 29.067 -21.071 1.00 32.05 ? 348 HOH A O 1 HETATM 2779 O O . HOH W 6 . ? -5.786 13.589 -11.938 1.00 37.96 ? 349 HOH A O 1 HETATM 2780 O O . HOH W 6 . ? -17.619 34.277 3.593 1.00 29.01 ? 350 HOH A O 1 HETATM 2781 O O . HOH W 6 . ? -28.384 19.394 3.706 1.00 34.14 ? 351 HOH A O 1 HETATM 2782 O O . HOH W 6 . ? -12.709 27.006 3.605 1.00 34.01 ? 352 HOH A O 1 HETATM 2783 O O . HOH W 6 . ? -26.738 26.457 7.240 1.00 39.18 ? 353 HOH A O 1 HETATM 2784 O O . HOH W 6 . ? -33.461 29.966 -5.055 1.00 28.04 ? 354 HOH A O 1 HETATM 2785 O O . HOH W 6 . ? -27.832 28.529 -20.732 1.00 43.28 ? 355 HOH A O 1 HETATM 2786 O O . HOH W 6 . ? 0.157 34.310 -5.883 1.00 36.88 ? 356 HOH A O 1 HETATM 2787 O O . HOH W 6 . ? -6.971 35.561 -11.616 1.00 36.64 ? 357 HOH A O 1 HETATM 2788 O O . HOH W 6 . ? -22.424 10.372 -12.409 1.00 51.13 ? 358 HOH A O 1 HETATM 2789 O O . HOH W 6 . ? -20.540 29.570 5.088 1.00 33.22 ? 359 HOH A O 1 HETATM 2790 O O . HOH W 6 . ? -14.081 11.329 -1.203 1.00 29.57 ? 360 HOH A O 1 HETATM 2791 O O . HOH W 6 . ? -1.823 23.028 -0.497 1.00 42.31 ? 361 HOH A O 1 HETATM 2792 O O . HOH W 6 . ? -15.561 22.513 -23.347 1.00 26.53 ? 362 HOH A O 1 HETATM 2793 O O . HOH W 6 . ? -8.294 19.059 -12.738 1.00 31.07 ? 363 HOH A O 1 HETATM 2794 O O . HOH W 6 . ? -4.301 34.299 -11.171 1.00 31.64 ? 364 HOH A O 1 HETATM 2795 O O . HOH W 6 . ? -7.790 35.776 -14.747 1.00 31.50 ? 365 HOH A O 1 HETATM 2796 O O . HOH W 6 . ? -1.894 27.806 -14.958 1.00 29.36 ? 366 HOH A O 1 HETATM 2797 O O . HOH W 6 . ? -12.885 8.106 -12.992 1.00 21.58 ? 367 HOH A O 1 HETATM 2798 O O . HOH W 6 . ? -21.825 19.157 -21.547 1.00 34.34 ? 368 HOH A O 1 HETATM 2799 O O . HOH W 6 . ? -19.177 11.436 -3.481 1.00 28.44 ? 369 HOH A O 1 HETATM 2800 O O . HOH W 6 . ? -24.481 12.572 -12.947 1.00 33.27 ? 370 HOH A O 1 HETATM 2801 O O . HOH W 6 . ? -0.711 20.888 -6.592 1.00 43.65 ? 371 HOH A O 1 HETATM 2802 O O . HOH W 6 . ? -0.519 27.180 -12.333 1.00 48.10 ? 372 HOH A O 1 HETATM 2803 O O . HOH W 6 . ? -9.360 22.654 -20.193 1.00 39.44 ? 373 HOH A O 1 HETATM 2804 O O . HOH W 6 . ? -17.605 41.931 -16.084 1.00 31.05 ? 374 HOH A O 1 HETATM 2805 O O . HOH W 6 . ? -6.797 17.867 -8.844 1.00 26.24 ? 375 HOH A O 1 HETATM 2806 O O . HOH W 6 . ? -27.226 40.885 6.701 1.00 48.63 ? 376 HOH A O 1 HETATM 2807 O O . HOH W 6 . ? -1.538 19.744 -3.802 1.00 35.20 ? 377 HOH A O 1 HETATM 2808 O O . HOH W 6 . ? -5.784 40.346 -26.356 1.00 35.13 ? 378 HOH A O 1 HETATM 2809 O O . HOH W 6 . ? -18.276 31.906 5.240 1.00 34.77 ? 379 HOH A O 1 HETATM 2810 O O . HOH W 6 . ? -17.835 40.020 -11.385 1.00 26.93 ? 380 HOH A O 1 HETATM 2811 O O . HOH W 6 . ? -24.365 36.692 -15.659 1.00 44.33 ? 381 HOH A O 1 HETATM 2812 O O . HOH W 6 . ? -27.691 20.417 -19.914 1.00 39.26 ? 382 HOH A O 1 HETATM 2813 O O . HOH W 6 . ? -9.237 42.529 -1.741 1.00 34.07 ? 383 HOH A O 1 HETATM 2814 O O . HOH W 6 . ? -23.926 14.304 0.554 1.00 30.05 ? 384 HOH A O 1 HETATM 2815 O O . HOH W 6 . ? -13.753 16.188 -22.592 1.00 36.35 ? 385 HOH A O 1 HETATM 2816 O O . HOH W 6 . ? -33.595 26.515 -5.060 1.00 55.60 ? 386 HOH A O 1 HETATM 2817 O O . HOH W 6 . ? -9.222 19.850 -23.401 1.00 35.77 ? 387 HOH A O 1 HETATM 2818 O O . HOH W 6 . ? -4.426 37.042 -17.768 1.00 49.37 ? 388 HOH A O 1 HETATM 2819 O O . HOH W 6 . ? -17.647 42.062 -10.059 1.00 44.51 ? 389 HOH A O 1 HETATM 2820 O O . HOH W 6 . ? -23.754 8.609 -12.526 1.00 60.05 ? 390 HOH A O 1 HETATM 2821 O O . HOH W 6 . ? -25.564 10.881 -1.169 1.00 35.43 ? 391 HOH A O 1 HETATM 2822 O O . HOH W 6 . ? -11.143 16.162 -22.432 1.00 46.07 ? 392 HOH A O 1 HETATM 2823 O O . HOH W 6 . ? -9.972 14.711 -20.375 1.00 33.27 ? 393 HOH A O 1 HETATM 2824 O O . HOH W 6 . ? -24.712 37.772 -18.940 1.00 36.33 ? 394 HOH A O 1 HETATM 2825 O O . HOH W 6 . ? -24.953 23.662 9.312 1.00 38.62 ? 395 HOH A O 1 HETATM 2826 O O . HOH W 6 . ? -6.075 30.040 4.882 1.00 48.01 ? 396 HOH A O 1 HETATM 2827 O O . HOH W 6 . ? -14.443 34.422 3.361 1.00 30.27 ? 397 HOH A O 1 HETATM 2828 O O . HOH W 6 . ? -7.923 16.570 -4.964 1.00 39.23 ? 398 HOH A O 1 HETATM 2829 O O . HOH W 6 . ? 2.581 25.543 -10.806 1.00 37.64 ? 399 HOH A O 1 HETATM 2830 O O . HOH W 6 . ? -5.265 34.232 -15.427 1.00 29.12 ? 400 HOH A O 1 HETATM 2831 O O . HOH W 6 . ? -5.962 16.123 -5.313 1.00 36.85 ? 401 HOH A O 1 HETATM 2832 O O . HOH W 6 . ? -4.669 30.359 2.332 1.00 35.72 ? 402 HOH A O 1 HETATM 2833 O O . HOH W 6 . ? -22.100 16.757 7.354 1.00 39.46 ? 403 HOH A O 1 HETATM 2834 O O . HOH W 6 . ? -22.247 41.149 -8.052 1.00 29.13 ? 404 HOH A O 1 HETATM 2835 O O . HOH W 6 . ? -11.052 17.757 1.556 1.00 34.82 ? 405 HOH A O 1 HETATM 2836 O O . HOH W 6 . ? -19.588 40.603 -14.891 1.00 33.90 ? 406 HOH A O 1 HETATM 2837 O O . HOH W 6 . ? -17.860 36.546 5.166 1.00 53.18 ? 407 HOH A O 1 HETATM 2838 O O . HOH W 6 . ? -2.116 37.560 -6.994 1.00 49.61 ? 408 HOH A O 1 HETATM 2839 O O . HOH W 6 . ? -13.939 11.642 -17.736 1.00 39.43 ? 409 HOH A O 1 HETATM 2840 O O . HOH W 6 . ? -13.748 46.262 -21.012 1.00 42.18 ? 410 HOH A O 1 HETATM 2841 O O . HOH W 6 . ? -7.228 21.736 -15.429 1.00 32.36 ? 411 HOH A O 1 HETATM 2842 O O . HOH W 6 . ? -6.480 41.950 -24.260 1.00 53.34 ? 412 HOH A O 1 HETATM 2843 O O . HOH W 6 . ? -19.788 42.987 -8.592 1.00 41.78 ? 413 HOH A O 1 HETATM 2844 O O . HOH W 6 . ? -8.499 43.337 -5.413 1.00 36.95 ? 414 HOH A O 1 HETATM 2845 O O . HOH W 6 . ? -10.720 44.823 -2.213 1.00 41.37 ? 415 HOH A O 1 HETATM 2846 O O . HOH W 6 . ? -16.011 31.107 5.868 1.00 36.18 ? 416 HOH A O 1 HETATM 2847 O O . HOH W 6 . ? -14.371 10.532 -15.704 1.00 58.99 ? 417 HOH A O 1 HETATM 2848 O O . HOH W 6 . ? -27.025 40.169 -2.181 1.00 39.71 ? 418 HOH A O 1 HETATM 2849 O O . HOH W 6 . ? -0.160 36.849 -22.708 1.00 66.19 ? 419 HOH A O 1 HETATM 2850 O O . HOH W 6 . ? -5.001 15.999 -7.907 1.00 49.74 ? 420 HOH A O 1 HETATM 2851 O O . HOH W 6 . ? -5.989 42.677 -27.443 1.00 49.42 ? 421 HOH A O 1 HETATM 2852 O O . HOH W 6 . ? -6.967 15.983 -15.336 1.00 40.83 ? 422 HOH A O 1 HETATM 2853 O O . HOH W 6 . ? -11.948 5.495 -5.604 1.00 44.11 ? 423 HOH A O 1 HETATM 2854 O O . HOH W 6 . ? -15.667 28.185 6.026 1.00 49.96 ? 424 HOH A O 1 HETATM 2855 O O . HOH W 6 . ? -16.004 18.654 -24.493 1.00 37.65 ? 425 HOH A O 1 HETATM 2856 O O . HOH W 6 . ? -3.740 36.758 -26.847 1.00 35.56 ? 426 HOH A O 1 HETATM 2857 O O . HOH W 6 . ? -31.519 22.142 -3.009 1.00 53.53 ? 427 HOH A O 1 HETATM 2858 O O . HOH W 6 . ? -33.722 14.225 -12.864 1.00 41.77 ? 428 HOH A O 1 HETATM 2859 O O . HOH W 6 . ? -14.326 15.138 0.924 1.00 42.14 ? 429 HOH A O 1 HETATM 2860 O O . HOH W 6 . ? -28.337 12.986 1.397 1.00 41.10 ? 430 HOH A O 1 HETATM 2861 O O . HOH W 6 . ? -14.157 48.459 -17.190 1.00 45.17 ? 431 HOH A O 1 HETATM 2862 O O . HOH W 6 . ? -20.129 51.325 -28.109 1.00 59.85 ? 432 HOH A O 1 HETATM 2863 O O . HOH W 6 . ? -7.881 37.593 3.038 1.00 42.07 ? 433 HOH A O 1 HETATM 2864 O O . HOH W 6 . ? -13.920 43.847 -7.247 1.00 53.77 ? 434 HOH A O 1 HETATM 2865 O O . HOH W 6 . ? -21.050 18.699 -18.916 1.00 33.89 ? 435 HOH A O 1 HETATM 2866 O O . HOH W 6 . ? -20.078 17.035 4.932 1.00 40.74 ? 436 HOH A O 1 HETATM 2867 O O . HOH W 6 . ? -21.602 14.731 2.998 1.00 37.91 ? 437 HOH A O 1 HETATM 2868 O O . HOH W 6 . ? -19.569 53.730 -19.020 1.00 55.09 ? 438 HOH A O 1 HETATM 2869 O O . HOH W 6 . ? -24.491 10.530 -20.108 1.00 45.89 ? 439 HOH A O 1 HETATM 2870 O O . HOH W 6 . ? -21.920 51.191 -15.329 1.00 63.69 ? 440 HOH A O 1 HETATM 2871 O O . HOH W 6 . ? -7.105 37.626 -26.076 1.00 34.02 ? 441 HOH A O 1 HETATM 2872 O O . HOH W 6 . ? -24.196 16.157 6.545 1.00 48.23 ? 442 HOH A O 1 HETATM 2873 O O . HOH W 6 . ? -19.109 16.830 7.271 1.00 49.52 ? 443 HOH A O 1 HETATM 2874 O O . HOH W 6 . ? 2.762 33.954 -3.249 1.00 45.22 ? 444 HOH A O 1 HETATM 2875 O O . HOH W 6 . ? -17.081 11.894 -2.001 1.00 57.90 ? 445 HOH A O 1 HETATM 2876 O O . HOH W 6 . ? -16.175 9.299 -14.451 1.00 51.63 ? 446 HOH A O 1 HETATM 2877 O O . HOH W 6 . ? -10.694 40.230 0.988 1.00 40.88 ? 447 HOH A O 1 HETATM 2878 O O . HOH W 6 . ? -24.390 44.195 -2.761 1.00 46.95 ? 448 HOH A O 1 HETATM 2879 O O . HOH W 6 . ? -24.757 38.790 -11.201 1.00 47.43 ? 449 HOH A O 1 HETATM 2880 O O . HOH W 6 . ? -9.501 13.873 -0.216 1.00 54.04 ? 450 HOH A O 1 HETATM 2881 O O . HOH W 6 . ? -1.496 36.272 -20.107 1.00 46.43 ? 451 HOH A O 1 HETATM 2882 O O . HOH W 6 . ? -33.298 29.351 -16.715 1.00 48.53 ? 452 HOH A O 1 HETATM 2883 O O . HOH W 6 . ? -4.518 37.881 2.680 1.00 48.32 ? 453 HOH A O 1 HETATM 2884 O O . HOH W 6 . ? -16.602 44.296 -12.450 1.00 55.53 ? 454 HOH A O 1 HETATM 2885 O O . HOH W 6 . ? -23.693 38.609 -13.616 1.00 51.56 ? 455 HOH A O 1 HETATM 2886 O O . HOH W 6 . ? -21.704 52.471 -26.022 1.00 59.43 ? 456 HOH A O 1 HETATM 2887 O O . HOH W 6 . ? -16.463 14.153 0.382 1.00 42.60 ? 457 HOH A O 1 HETATM 2888 O O . HOH W 6 . ? -33.347 31.039 -14.161 1.00 67.98 ? 458 HOH A O 1 HETATM 2889 O O . HOH W 6 . ? -21.182 7.662 -16.307 1.00 31.09 ? 459 HOH A O 1 HETATM 2890 O O . HOH W 6 . ? -21.525 8.329 -5.677 1.00 52.33 ? 460 HOH A O 1 HETATM 2891 O O . HOH X 6 . ? -16.571 21.070 -25.291 1.00 34.47 ? 301 HOH B O 1 HETATM 2892 O O . HOH X 6 . ? -2.348 38.211 -33.830 1.00 14.47 ? 302 HOH B O 1 HETATM 2893 O O . HOH X 6 . ? -6.050 27.366 -32.543 1.00 13.54 ? 303 HOH B O 1 HETATM 2894 O O . HOH X 6 . ? 2.032 30.298 -39.757 1.00 16.76 ? 304 HOH B O 1 HETATM 2895 O O . HOH X 6 . ? -13.581 38.505 -40.508 1.00 24.25 ? 305 HOH B O 1 HETATM 2896 O O . HOH X 6 . ? -11.964 37.488 -38.640 1.00 20.94 ? 306 HOH B O 1 HETATM 2897 O O . HOH X 6 . ? -17.080 27.679 -28.430 1.00 26.70 ? 307 HOH B O 1 HETATM 2898 O O . HOH X 6 . ? -13.429 35.658 -34.712 1.00 17.85 ? 308 HOH B O 1 HETATM 2899 O O . HOH X 6 . ? 5.774 24.806 -37.380 1.00 24.89 ? 309 HOH B O 1 HETATM 2900 O O . HOH X 6 . ? -7.564 29.929 -46.113 1.00 21.07 ? 310 HOH B O 1 HETATM 2901 O O . HOH X 6 . ? -16.689 26.505 -39.687 1.00 23.11 ? 311 HOH B O 1 HETATM 2902 O O . HOH X 6 . ? 1.537 36.328 -50.725 1.00 21.70 ? 312 HOH B O 1 HETATM 2903 O O . HOH X 6 . ? -7.610 19.009 -40.529 1.00 22.90 ? 313 HOH B O 1 HETATM 2904 O O . HOH X 6 . ? -17.561 24.902 -28.789 1.00 25.14 ? 314 HOH B O 1 HETATM 2905 O O . HOH X 6 . ? -13.642 35.274 -37.522 1.00 24.13 ? 315 HOH B O 1 HETATM 2906 O O . HOH X 6 . ? -17.431 23.838 -31.192 1.00 27.90 ? 316 HOH B O 1 HETATM 2907 O O . HOH X 6 . ? -3.757 20.582 -35.047 1.00 19.83 ? 317 HOH B O 1 HETATM 2908 O O . HOH X 6 . ? -13.695 24.785 -24.648 1.00 21.77 ? 318 HOH B O 1 HETATM 2909 O O . HOH X 6 . ? 3.607 40.942 -31.128 1.00 27.03 ? 319 HOH B O 1 HETATM 2910 O O . HOH X 6 . ? -2.856 40.533 -45.169 1.00 22.81 ? 320 HOH B O 1 HETATM 2911 O O . HOH X 6 . ? -1.157 29.299 -28.177 1.00 30.57 ? 321 HOH B O 1 HETATM 2912 O O . HOH X 6 . ? 4.094 37.945 -40.440 1.00 26.59 ? 322 HOH B O 1 HETATM 2913 O O . HOH X 6 . ? -3.879 17.407 -26.984 1.00 32.19 ? 323 HOH B O 1 HETATM 2914 O O . HOH X 6 . ? -25.092 25.982 -47.087 1.00 35.20 ? 324 HOH B O 1 HETATM 2915 O O . HOH X 6 . ? -17.658 42.524 -50.566 1.00 43.05 ? 325 HOH B O 1 HETATM 2916 O O . HOH X 6 . ? -22.731 32.168 -45.037 1.00 35.13 ? 326 HOH B O 1 HETATM 2917 O O . HOH X 6 . ? -11.940 39.950 -24.573 1.00 32.93 ? 327 HOH B O 1 HETATM 2918 O O . HOH X 6 . ? -18.820 45.617 -41.372 1.00 39.43 ? 328 HOH B O 1 HETATM 2919 O O . HOH X 6 . ? -24.002 32.843 -22.365 1.00 36.31 ? 329 HOH B O 1 HETATM 2920 O O . HOH X 6 . ? 0.337 36.865 -57.750 1.00 37.43 ? 330 HOH B O 1 HETATM 2921 O O . HOH X 6 . ? 1.607 49.402 -33.988 1.00 40.75 ? 331 HOH B O 1 HETATM 2922 O O . HOH X 6 . ? -25.937 24.680 -20.016 1.00 30.93 ? 332 HOH B O 1 HETATM 2923 O O . HOH X 6 . ? 5.604 28.859 -34.069 1.00 27.53 ? 333 HOH B O 1 HETATM 2924 O O . HOH X 6 . ? -7.015 17.681 -35.791 1.00 27.83 ? 334 HOH B O 1 HETATM 2925 O O . HOH X 6 . ? -7.236 26.743 -23.542 1.00 27.31 ? 335 HOH B O 1 HETATM 2926 O O . HOH X 6 . ? -0.975 15.806 -40.186 1.00 39.35 ? 336 HOH B O 1 HETATM 2927 O O . HOH X 6 . ? -18.947 42.612 -38.380 1.00 36.74 ? 337 HOH B O 1 HETATM 2928 O O . HOH X 6 . ? -28.429 38.118 -25.940 1.00 38.82 ? 338 HOH B O 1 HETATM 2929 O O . HOH X 6 . ? -14.687 13.392 -40.389 1.00 55.28 ? 339 HOH B O 1 HETATM 2930 O O . HOH X 6 . ? 8.754 35.363 -36.572 1.00 28.49 ? 340 HOH B O 1 HETATM 2931 O O . HOH X 6 . ? -20.000 21.974 -49.593 1.00 49.90 ? 341 HOH B O 1 HETATM 2932 O O . HOH X 6 . ? 10.405 38.407 -31.799 1.00 39.95 ? 342 HOH B O 1 HETATM 2933 O O . HOH X 6 . ? -22.749 38.959 -31.066 1.00 35.63 ? 343 HOH B O 1 HETATM 2934 O O . HOH X 6 . ? -4.804 16.494 -34.595 1.00 25.33 ? 344 HOH B O 1 HETATM 2935 O O . HOH X 6 . ? 9.822 37.801 -33.903 1.00 44.42 ? 345 HOH B O 1 HETATM 2936 O O . HOH X 6 . ? -3.026 21.689 -24.756 1.00 33.84 ? 346 HOH B O 1 HETATM 2937 O O . HOH X 6 . ? 7.568 34.585 -41.754 1.00 31.06 ? 347 HOH B O 1 HETATM 2938 O O . HOH X 6 . ? -6.797 17.982 -29.671 1.00 32.62 ? 348 HOH B O 1 HETATM 2939 O O . HOH X 6 . ? 0.366 28.629 -51.440 1.00 46.42 ? 349 HOH B O 1 HETATM 2940 O O . HOH X 6 . ? -1.367 30.621 -25.369 1.00 37.48 ? 350 HOH B O 1 HETATM 2941 O O . HOH X 6 . ? -3.304 39.390 -27.001 1.00 29.78 ? 351 HOH B O 1 HETATM 2942 O O . HOH X 6 . ? 1.088 49.658 -31.538 1.00 48.48 ? 352 HOH B O 1 HETATM 2943 O O . HOH X 6 . ? -10.718 34.983 -51.819 1.00 31.84 ? 353 HOH B O 1 HETATM 2944 O O . HOH X 6 . ? -19.059 21.260 -25.873 1.00 32.50 ? 354 HOH B O 1 HETATM 2945 O O . HOH X 6 . ? -10.145 32.131 -52.921 1.00 36.34 ? 355 HOH B O 1 HETATM 2946 O O . HOH X 6 . ? 5.106 33.795 -29.884 1.00 41.24 ? 356 HOH B O 1 HETATM 2947 O O . HOH X 6 . ? 3.827 25.127 -43.464 1.00 35.91 ? 357 HOH B O 1 HETATM 2948 O O . HOH X 6 . ? 0.634 20.226 -29.300 1.00 34.06 ? 358 HOH B O 1 HETATM 2949 O O . HOH X 6 . ? -16.138 44.042 -52.712 1.00 48.45 ? 359 HOH B O 1 HETATM 2950 O O . HOH X 6 . ? -14.011 42.113 -30.681 1.00 42.53 ? 360 HOH B O 1 HETATM 2951 O O . HOH X 6 . ? 3.280 29.114 -49.401 1.00 30.38 ? 361 HOH B O 1 HETATM 2952 O O . HOH X 6 . ? -24.911 24.113 -40.302 1.00 43.21 ? 362 HOH B O 1 HETATM 2953 O O . HOH X 6 . ? -14.613 15.577 -33.996 1.00 40.89 ? 363 HOH B O 1 HETATM 2954 O O . HOH X 6 . ? -25.530 32.553 -29.729 1.00 43.92 ? 364 HOH B O 1 HETATM 2955 O O . HOH X 6 . ? -18.127 40.485 -30.548 1.00 37.43 ? 365 HOH B O 1 HETATM 2956 O O . HOH X 6 . ? -4.441 32.538 -30.429 1.00 18.97 ? 366 HOH B O 1 HETATM 2957 O O . HOH X 6 . ? 0.046 44.223 -38.468 1.00 32.51 ? 367 HOH B O 1 HETATM 2958 O O . HOH X 6 . ? -4.291 36.565 -53.637 1.00 44.12 ? 368 HOH B O 1 HETATM 2959 O O . HOH X 6 . ? 8.687 35.755 -39.602 1.00 38.66 ? 369 HOH B O 1 HETATM 2960 O O . HOH X 6 . ? -12.744 27.996 -50.620 1.00 29.59 ? 370 HOH B O 1 HETATM 2961 O O . HOH X 6 . ? -15.613 22.137 -27.634 1.00 34.83 ? 371 HOH B O 1 HETATM 2962 O O . HOH X 6 . ? -28.554 31.302 -48.300 1.00 39.29 ? 372 HOH B O 1 HETATM 2963 O O . HOH X 6 . ? -10.736 16.958 -45.307 1.00 43.76 ? 373 HOH B O 1 HETATM 2964 O O . HOH X 6 . ? -22.911 30.191 -22.411 1.00 36.32 ? 374 HOH B O 1 HETATM 2965 O O . HOH X 6 . ? -8.745 28.760 -54.099 1.00 36.28 ? 375 HOH B O 1 HETATM 2966 O O . HOH X 6 . ? 3.790 37.989 -43.034 1.00 28.34 ? 376 HOH B O 1 HETATM 2967 O O . HOH X 6 . ? -20.854 38.434 -35.266 1.00 38.60 ? 377 HOH B O 1 HETATM 2968 O O . HOH X 6 . ? -22.786 27.497 -32.150 1.00 31.76 ? 378 HOH B O 1 HETATM 2969 O O . HOH X 6 . ? -3.990 24.755 -22.691 1.00 33.19 ? 379 HOH B O 1 HETATM 2970 O O . HOH X 6 . ? -12.067 44.724 -23.285 1.00 36.93 ? 380 HOH B O 1 HETATM 2971 O O . HOH X 6 . ? 1.581 28.701 -28.434 1.00 31.86 ? 381 HOH B O 1 HETATM 2972 O O . HOH X 6 . ? -22.863 26.681 -35.371 1.00 45.45 ? 382 HOH B O 1 HETATM 2973 O O . HOH X 6 . ? 8.787 31.169 -41.885 1.00 35.38 ? 383 HOH B O 1 HETATM 2974 O O . HOH X 6 . ? -22.611 24.872 -31.572 1.00 36.96 ? 384 HOH B O 1 HETATM 2975 O O . HOH X 6 . ? 3.014 19.325 -29.988 1.00 39.05 ? 385 HOH B O 1 HETATM 2976 O O . HOH X 6 . ? -23.664 24.108 -35.429 1.00 42.98 ? 386 HOH B O 1 HETATM 2977 O O . HOH X 6 . ? -8.464 17.158 -38.225 1.00 31.91 ? 387 HOH B O 1 HETATM 2978 O O . HOH X 6 . ? -25.705 16.495 -45.226 1.00 49.89 ? 388 HOH B O 1 HETATM 2979 O O . HOH X 6 . ? -2.578 40.923 -48.296 1.00 35.24 ? 389 HOH B O 1 HETATM 2980 O O . HOH X 6 . ? -6.437 16.052 -32.157 1.00 39.03 ? 390 HOH B O 1 HETATM 2981 O O . HOH X 6 . ? -29.180 33.072 -41.655 1.00 50.59 ? 391 HOH B O 1 HETATM 2982 O O . HOH X 6 . ? 8.292 35.094 -44.206 1.00 39.73 ? 392 HOH B O 1 HETATM 2983 O O . HOH X 6 . ? 3.076 15.759 -27.471 1.00 41.45 ? 393 HOH B O 1 HETATM 2984 O O . HOH X 6 . ? -19.702 18.543 -32.202 1.00 43.09 ? 394 HOH B O 1 HETATM 2985 O O . HOH X 6 . ? -18.158 41.974 -28.249 1.00 40.06 ? 395 HOH B O 1 HETATM 2986 O O . HOH X 6 . ? -28.656 35.827 -24.245 1.00 51.93 ? 396 HOH B O 1 HETATM 2987 O O . HOH X 6 . ? 7.416 27.495 -27.032 1.00 34.25 ? 397 HOH B O 1 HETATM 2988 O O . HOH X 6 . ? -26.124 19.862 -49.431 1.00 57.15 ? 398 HOH B O 1 HETATM 2989 O O . HOH X 6 . ? 2.624 45.080 -38.910 1.00 36.92 ? 399 HOH B O 1 HETATM 2990 O O . HOH X 6 . ? 4.447 17.858 -27.593 1.00 42.86 ? 400 HOH B O 1 HETATM 2991 O O . HOH X 6 . ? 4.207 39.973 -28.363 1.00 50.68 ? 401 HOH B O 1 HETATM 2992 O O . HOH X 6 . ? 6.819 25.972 -34.251 1.00 44.70 ? 402 HOH B O 1 HETATM 2993 O O . HOH X 6 . ? 3.559 44.115 -31.044 1.00 44.31 ? 403 HOH B O 1 HETATM 2994 O O . HOH X 6 . ? -0.477 39.990 -25.867 1.00 47.39 ? 404 HOH B O 1 HETATM 2995 O O . HOH X 6 . ? -24.034 22.804 -20.366 1.00 37.42 ? 405 HOH B O 1 HETATM 2996 O O . HOH X 6 . ? -15.724 34.536 -50.430 1.00 45.55 ? 406 HOH B O 1 HETATM 2997 O O . HOH X 6 . ? -26.824 36.932 -39.168 1.00 59.64 ? 407 HOH B O 1 HETATM 2998 O O . HOH X 6 . ? -17.275 18.286 -29.219 1.00 42.14 ? 408 HOH B O 1 HETATM 2999 O O . HOH X 6 . ? -17.790 16.621 -33.670 1.00 39.36 ? 409 HOH B O 1 HETATM 3000 O O . HOH X 6 . ? -13.735 16.327 -44.323 1.00 35.32 ? 410 HOH B O 1 HETATM 3001 O O . HOH X 6 . ? -3.249 36.420 -55.998 1.00 35.99 ? 411 HOH B O 1 HETATM 3002 O O . HOH X 6 . ? -27.376 22.477 -47.056 1.00 45.85 ? 412 HOH B O 1 HETATM 3003 O O . HOH X 6 . ? -29.136 47.286 -26.200 1.00 54.63 ? 413 HOH B O 1 HETATM 3004 O O . HOH X 6 . ? -11.615 37.435 -26.528 1.00 30.02 ? 414 HOH B O 1 HETATM 3005 O O . HOH X 6 . ? -10.800 45.890 -50.487 1.00 51.63 ? 415 HOH B O 1 HETATM 3006 O O . HOH X 6 . ? -16.861 19.568 -44.336 1.00 42.60 ? 416 HOH B O 1 HETATM 3007 O O . HOH X 6 . ? 4.109 28.023 -23.610 1.00 54.75 ? 417 HOH B O 1 HETATM 3008 O O . HOH X 6 . ? -24.609 28.090 -39.622 1.00 53.46 ? 418 HOH B O 1 HETATM 3009 O O . HOH X 6 . ? 1.520 41.150 -43.360 1.00 42.60 ? 419 HOH B O 1 HETATM 3010 O O . HOH X 6 . ? -23.936 29.668 -50.334 1.00 44.19 ? 420 HOH B O 1 HETATM 3011 O O . HOH X 6 . ? 10.272 28.292 -34.596 1.00 38.24 ? 421 HOH B O 1 HETATM 3012 O O . HOH X 6 . ? -10.033 17.625 -51.799 1.00 55.10 ? 422 HOH B O 1 HETATM 3013 O O . HOH X 6 . ? 10.659 30.625 -36.407 1.00 51.13 ? 423 HOH B O 1 HETATM 3014 O O . HOH X 6 . ? 2.098 21.673 -27.550 1.00 39.07 ? 424 HOH B O 1 HETATM 3015 O O . HOH X 6 . ? -16.271 19.235 -51.068 1.00 58.21 ? 425 HOH B O 1 HETATM 3016 O O . HOH X 6 . ? -30.237 39.089 -29.590 1.00 50.21 ? 426 HOH B O 1 HETATM 3017 O O . HOH X 6 . ? -20.820 39.178 -50.044 1.00 46.82 ? 427 HOH B O 1 HETATM 3018 O O . HOH X 6 . ? -11.021 42.897 -27.541 1.00 50.72 ? 428 HOH B O 1 HETATM 3019 O O . HOH X 6 . ? -15.320 42.707 -28.252 1.00 40.10 ? 429 HOH B O 1 HETATM 3020 O O . HOH X 6 . ? -29.782 29.624 -30.628 1.00 57.69 ? 430 HOH B O 1 HETATM 3021 O O . HOH X 6 . ? -5.546 24.072 -54.698 1.00 47.89 ? 431 HOH B O 1 HETATM 3022 O O . HOH X 6 . ? -11.541 19.113 -31.723 1.00 44.88 ? 432 HOH B O 1 HETATM 3023 O O . HOH X 6 . ? 7.240 25.527 -28.241 1.00 46.65 ? 433 HOH B O 1 HETATM 3024 O O . HOH X 6 . ? 4.294 21.571 -28.311 1.00 39.08 ? 434 HOH B O 1 HETATM 3025 O O . HOH X 6 . ? 6.695 42.138 -44.007 1.00 52.87 ? 435 HOH B O 1 HETATM 3026 O O . HOH X 6 . ? 6.678 36.995 -41.270 1.00 46.10 ? 436 HOH B O 1 HETATM 3027 O O . HOH X 6 . ? -14.283 18.902 -44.954 1.00 57.69 ? 437 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 . ALA A 1 ? 0.4122 0.5303 0.4403 -0.0735 0.0300 -0.0257 1 ALA A N 2 C CA . ALA A 1 ? 0.4086 0.5129 0.4349 -0.0815 0.0281 -0.0308 1 ALA A CA 3 C C . ALA A 1 ? 0.3878 0.4932 0.4168 -0.0700 0.0233 -0.0297 1 ALA A C 4 O O . ALA A 1 ? 0.3884 0.5161 0.4231 -0.0596 0.0217 -0.0260 1 ALA A O 5 C CB . ALA A 1 ? 0.4164 0.5416 0.4458 -0.0988 0.0304 -0.0370 1 ALA A CB 6 N N . ILE A 2 ? 0.3682 0.4490 0.3931 -0.0707 0.0216 -0.0321 2 ILE A N 7 C CA . ILE A 2 ? 0.3329 0.4153 0.3601 -0.0624 0.0175 -0.0316 2 ILE A CA 8 C C . ILE A 2 ? 0.3162 0.4161 0.3460 -0.0726 0.0169 -0.0377 2 ILE A C 9 O O . ILE A 2 ? 0.3046 0.3932 0.3307 -0.0855 0.0194 -0.0442 2 ILE A O 10 C CB . ILE A 2 ? 0.3452 0.3956 0.3673 -0.0567 0.0158 -0.0307 2 ILE A CB 11 C CG1 . ILE A 2 ? 0.3641 0.3987 0.3826 -0.0485 0.0162 -0.0259 2 ILE A CG1 12 C CG2 . ILE A 2 ? 0.3369 0.3919 0.3619 -0.0487 0.0121 -0.0295 2 ILE A CG2 13 C CD1 . ILE A 2 ? 0.3956 0.4009 0.4085 -0.0463 0.0151 -0.0254 2 ILE A CD1 14 N N . LEU A 3 ? 0.2927 0.4197 0.3281 -0.0665 0.0142 -0.0354 3 LEU A N 15 C CA . LEU A 3 ? 0.2884 0.4382 0.3260 -0.0758 0.0131 -0.0411 3 LEU A CA 16 C C . LEU A 3 ? 0.2845 0.4214 0.3197 -0.0718 0.0104 -0.0425 3 LEU A C 17 O O . LEU A 3 ? 0.2709 0.4009 0.3070 -0.0582 0.0081 -0.0360 3 LEU A O 18 C CB . LEU A 3 ? 0.2902 0.4826 0.3352 -0.0717 0.0116 -0.0371 3 LEU A CB 19 C CG . LEU A 3 ? 0.2902 0.5058 0.3394 -0.0754 0.0142 -0.0357 3 LEU A CG 20 C CD1 . LEU A 3 ? 0.3039 0.5664 0.3613 -0.0695 0.0122 -0.0310 3 LEU A CD1 21 C CD2 . LEU A 3 ? 0.3178 0.5308 0.3641 -0.0961 0.0177 -0.0447 3 LEU A CD2 22 N N . THR A 4 ? 0.2815 0.4138 0.3132 -0.0842 0.0116 -0.0515 4 THR A N 23 C CA . THR A 4 ? 0.2720 0.3986 0.3017 -0.0817 0.0096 -0.0540 4 THR A CA 24 C C . THR A 4 ? 0.2612 0.4179 0.2960 -0.0719 0.0056 -0.0478 4 THR A C 25 O O . THR A 4 ? 0.2531 0.4448 0.2923 -0.0741 0.0047 -0.0468 4 THR A O 26 C CB . THR A 4 ? 0.2860 0.4152 0.3118 -0.0982 0.0121 -0.0661 4 THR A CB 27 O OG1 . THR A 4 ? 0.2930 0.3919 0.3136 -0.1069 0.0170 -0.0708 4 THR A OG1 28 C CG2 . THR A 4 ? 0.2652 0.3914 0.2883 -0.0964 0.0107 -0.0700 4 THR A CG2 29 N N . GLY A 5 ? 0.2547 0.3999 0.2890 -0.0609 0.0035 -0.0429 5 GLY A N 30 C CA . GLY A 5 ? 0.2537 0.4253 0.2915 -0.0526 0.0005 -0.0367 5 GLY A CA 31 C C . GLY A 5 ? 0.2586 0.4393 0.3012 -0.0380 -0.0002 -0.0249 5 GLY A C 32 O O . GLY A 5 ? 0.2778 0.4725 0.3226 -0.0281 -0.0019 -0.0173 5 GLY A O 33 N N . VAL A 6 ? 0.2404 0.4104 0.2836 -0.0359 0.0017 -0.0230 6 VAL A N 34 C CA . VAL A 6 ? 0.2449 0.4218 0.2919 -0.0221 0.0023 -0.0131 6 VAL A CA 35 C C . VAL A 6 ? 0.2319 0.3736 0.2759 -0.0128 0.0029 -0.0091 6 VAL A C 36 O O . VAL A 6 ? 0.2398 0.3552 0.2796 -0.0184 0.0034 -0.0141 6 VAL A O 37 C CB . VAL A 6 ? 0.2358 0.4265 0.2853 -0.0262 0.0046 -0.0144 6 VAL A CB 38 C CG1 . VAL A 6 ? 0.2807 0.4688 0.3325 -0.0114 0.0066 -0.0058 6 VAL A CG1 39 C CG2 . VAL A 6 ? 0.2753 0.5089 0.3294 -0.0340 0.0037 -0.0167 6 VAL A CG2 40 N N . PRO A 7 ? 0.2281 0.3695 0.2738 0.0011 0.0033 0.0000 7 PRO A N 41 C CA . PRO A 7 ? 0.2232 0.3323 0.2657 0.0082 0.0043 0.0028 7 PRO A CA 42 C C . PRO A 7 ? 0.2175 0.3115 0.2580 0.0105 0.0069 0.0020 7 PRO A C 43 O O . PRO A 7 ? 0.2141 0.3250 0.2574 0.0153 0.0091 0.0048 7 PRO A O 44 C CB . PRO A 7 ? 0.2229 0.3380 0.2675 0.0214 0.0052 0.0129 7 PRO A CB 45 C CG . PRO A 7 ? 0.2490 0.4004 0.2985 0.0250 0.0054 0.0173 7 PRO A CG 46 C CD . PRO A 7 ? 0.2298 0.4010 0.2801 0.0104 0.0032 0.0083 7 PRO A CD 47 N N . TYR A 8 ? 0.1992 0.2647 0.2349 0.0073 0.0066 -0.0017 8 TYR A N 48 C CA . TYR A 8 ? 0.2047 0.2539 0.2367 0.0089 0.0087 -0.0031 8 TYR A CA 49 C C . TYR A 8 ? 0.2095 0.2324 0.2375 0.0128 0.0085 -0.0024 8 TYR A C 50 O O . TYR A 8 ? 0.1876 0.2013 0.2150 0.0095 0.0060 -0.0034 8 TYR A O 51 C CB . TYR A 8 ? 0.1938 0.2371 0.2228 -0.0023 0.0083 -0.0093 8 TYR A CB 52 C CG . TYR A 8 ? 0.2309 0.2987 0.2632 -0.0088 0.0094 -0.0112 8 TYR A CG 53 C CD1 . TYR A 8 ? 0.2294 0.3087 0.2627 -0.0067 0.0124 -0.0099 8 TYR A CD1 54 C CD2 . TYR A 8 ? 0.2306 0.3122 0.2650 -0.0177 0.0079 -0.0148 8 TYR A CD2 55 C CE1 . TYR A 8 ? 0.2764 0.3823 0.3136 -0.0140 0.0136 -0.0116 8 TYR A CE1 56 C CE2 . TYR A 8 ? 0.2428 0.3490 0.2802 -0.0256 0.0091 -0.0174 8 TYR A CE2 57 C CZ . TYR A 8 ? 0.2491 0.3680 0.2882 -0.0241 0.0118 -0.0156 8 TYR A CZ 58 O OH . TYR A 8 ? 0.2827 0.4288 0.3254 -0.0336 0.0129 -0.0184 8 TYR A OH 59 N N . TYR A 9 ? 0.2259 0.2375 0.2511 0.0195 0.0114 -0.0012 9 TYR A N 60 C CA . TYR A 9 ? 0.2395 0.2255 0.2594 0.0194 0.0111 -0.0032 9 TYR A CA 61 C C . TYR A 9 ? 0.2459 0.2230 0.2613 0.0113 0.0093 -0.0085 9 TYR A C 62 O O . TYR A 9 ? 0.2681 0.2528 0.2825 0.0089 0.0106 -0.0100 9 TYR A O 63 C CB . TYR A 9 ? 0.2570 0.2324 0.2739 0.0283 0.0156 -0.0017 9 TYR A CB 64 C CG . TYR A 9 ? 0.2770 0.2585 0.2978 0.0382 0.0185 0.0052 9 TYR A CG 65 C CD1 . TYR A 9 ? 0.3153 0.2841 0.3359 0.0397 0.0183 0.0084 9 TYR A CD1 66 C CD2 . TYR A 9 ? 0.2911 0.2929 0.3158 0.0465 0.0217 0.0097 9 TYR A CD2 67 C CE1 . TYR A 9 ? 0.3209 0.2938 0.3442 0.0497 0.0217 0.0164 9 TYR A CE1 68 C CE2 . TYR A 9 ? 0.3017 0.3102 0.3299 0.0578 0.0248 0.0180 9 TYR A CE2 69 C CZ . TYR A 9 ? 0.3462 0.3389 0.3732 0.0593 0.0248 0.0216 9 TYR A CZ 70 O OH . TYR A 9 ? 0.3760 0.3734 0.4056 0.0708 0.0285 0.0312 9 TYR A OH 71 N N . ILE A 10 ? 0.2351 0.1984 0.2483 0.0072 0.0063 -0.0103 10 ILE A N 72 C CA . ILE A 10 ? 0.2131 0.1659 0.2210 0.0022 0.0049 -0.0136 10 ILE A CA 73 C C . ILE A 10 ? 0.2451 0.1852 0.2474 0.0051 0.0063 -0.0154 10 ILE A C 74 O O . ILE A 10 ? 0.2162 0.1474 0.2185 0.0075 0.0066 -0.0150 10 ILE A O 75 C CB . ILE A 10 ? 0.2612 0.2080 0.2696 -0.0024 0.0013 -0.0143 10 ILE A CB 76 C CG1 . ILE A 10 ? 0.1863 0.1436 0.1988 -0.0058 0.0009 -0.0144 10 ILE A CG1 77 C CG2 . ILE A 10 ? 0.2405 0.1784 0.2434 -0.0056 -0.0002 -0.0160 10 ILE A CG2 78 C CD1 . ILE A 10 ? 0.2339 0.1871 0.2480 -0.0081 -0.0016 -0.0149 10 ILE A CD1 79 N N . LEU A 11 ? 0.2190 0.1582 0.2161 0.0043 0.0078 -0.0175 11 LEU A N 80 C CA . LEU A 11 ? 0.2550 0.1833 0.2454 0.0064 0.0097 -0.0207 11 LEU A CA 81 C C . LEU A 11 ? 0.2341 0.1605 0.2181 0.0014 0.0077 -0.0228 11 LEU A C 82 O O . LEU A 11 ? 0.2525 0.1860 0.2369 -0.0015 0.0073 -0.0209 11 LEU A O 83 C CB . LEU A 11 ? 0.2466 0.1788 0.2365 0.0135 0.0151 -0.0207 11 LEU A CB 84 C CG . LEU A 11 ? 0.2832 0.2172 0.2787 0.0207 0.0177 -0.0169 11 LEU A CG 85 C CD1 . LEU A 11 ? 0.3098 0.2569 0.3076 0.0282 0.0225 -0.0147 11 LEU A CD1 86 C CD2 . LEU A 11 ? 0.2594 0.1736 0.2507 0.0230 0.0199 -0.0191 11 LEU A CD2 87 N N . PRO A 12 ? 0.2426 0.1596 0.2203 -0.0005 0.0065 -0.0264 12 PRO A N 88 C CA . PRO A 12 ? 0.2519 0.1700 0.2222 -0.0040 0.0049 -0.0278 12 PRO A CA 89 C C . PRO A 12 ? 0.2633 0.1873 0.2300 -0.0016 0.0093 -0.0282 12 PRO A C 90 O O . PRO A 12 ? 0.2536 0.1772 0.2210 0.0035 0.0137 -0.0300 12 PRO A O 91 C CB . PRO A 12 ? 0.2757 0.1850 0.2394 -0.0060 0.0044 -0.0336 12 PRO A CB 92 C CG . PRO A 12 ? 0.2513 0.1532 0.2208 -0.0054 0.0043 -0.0336 12 PRO A CG 93 C CD . PRO A 12 ? 0.2331 0.1387 0.2088 0.0008 0.0080 -0.0299 12 PRO A CD 94 N N . SER A 13 ? 0.2629 0.1927 0.2261 -0.0045 0.0088 -0.0258 13 SER A N 95 C CA . SER A 13 ? 0.2940 0.2319 0.2542 -0.0032 0.0133 -0.0256 13 SER A CA 96 C C . SER A 13 ? 0.3068 0.2429 0.2593 0.0001 0.0170 -0.0310 13 SER A C 97 O O . SER A 13 ? 0.3207 0.2644 0.2731 0.0036 0.0219 -0.0313 13 SER A O 98 C CB . SER A 13 ? 0.2780 0.2201 0.2341 -0.0077 0.0126 -0.0213 13 SER A CB 99 O OG A SER A 13 ? 0.3021 0.2404 0.2502 -0.0093 0.0094 -0.0220 13 SER A OG 100 O OG B SER A 13 ? 0.3013 0.2430 0.2638 -0.0106 0.0109 -0.0170 13 SER A OG 101 N N . THR A 14 ? 0.3110 0.2383 0.2570 -0.0013 0.0151 -0.0360 14 THR A N 102 C CA . THR A 14 ? 0.3284 0.2516 0.2656 0.0009 0.0194 -0.0431 14 THR A CA 103 C C . THR A 14 ? 0.3434 0.2520 0.2808 0.0035 0.0216 -0.0490 14 THR A C 104 O O . THR A 14 ? 0.3549 0.2558 0.2836 0.0044 0.0257 -0.0566 14 THR A O 105 C CB . THR A 14 ? 0.3412 0.2673 0.2672 -0.0043 0.0168 -0.0461 14 THR A CB 106 O OG1 . THR A 14 ? 0.3752 0.2964 0.3012 -0.0091 0.0112 -0.0473 14 THR A OG1 107 C CG2 . THR A 14 ? 0.3266 0.2649 0.2514 -0.0063 0.0155 -0.0386 14 THR A CG2 108 N N . SER A 15 ? 0.3152 0.2189 0.2614 0.0044 0.0198 -0.0456 15 SER A N 109 C CA . SER A 15 ? 0.3297 0.2174 0.2759 0.0059 0.0224 -0.0497 15 SER A CA 110 C C . SER A 15 ? 0.3132 0.1990 0.2683 0.0140 0.0260 -0.0446 15 SER A C 111 O O . SER A 15 ? 0.3170 0.2159 0.2799 0.0162 0.0245 -0.0381 15 SER A O 112 C CB . SER A 15 ? 0.3292 0.2121 0.2755 -0.0023 0.0164 -0.0510 15 SER A CB 113 O OG . SER A 15 ? 0.3804 0.2479 0.3280 -0.0022 0.0190 -0.0534 15 SER A OG 114 N N . ARG A 16 ? 0.3122 0.1815 0.2656 0.0181 0.0312 -0.0474 16 ARG A N 115 C CA . ARG A 16 ? 0.3114 0.1782 0.2728 0.0263 0.0344 -0.0411 16 ARG A CA 116 C C . ARG A 16 ? 0.3052 0.1634 0.2710 0.0217 0.0311 -0.0384 16 ARG A C 117 O O . ARG A 16 ? 0.2989 0.1548 0.2706 0.0280 0.0336 -0.0323 16 ARG A O 118 C CB . ARG A 16 ? 0.3348 0.1863 0.2914 0.0358 0.0439 -0.0440 16 ARG A CB 119 C CG . ARG A 16 ? 0.3989 0.2596 0.3507 0.0411 0.0482 -0.0473 16 ARG A CG 120 C CD . ARG A 16 ? 0.5077 0.3549 0.4556 0.0531 0.0585 -0.0496 16 ARG A CD 121 N NE . ARG A 16 ? 0.6321 0.4495 0.5736 0.0520 0.0632 -0.0550 16 ARG A NE 122 C CZ . ARG A 16 ? 0.6821 0.4825 0.6124 0.0426 0.0640 -0.0662 16 ARG A CZ 123 N NH1 . ARG A 16 ? 0.6889 0.5005 0.6128 0.0342 0.0597 -0.0726 16 ARG A NH1 124 N NH2 . ARG A 16 ? 0.7075 0.4799 0.6326 0.0410 0.0694 -0.0709 16 ARG A NH2 125 N N . ALA A 17 ? 0.3071 0.1634 0.2702 0.0113 0.0255 -0.0421 17 ALA A N 126 C CA . ALA A 17 ? 0.2934 0.1439 0.2609 0.0062 0.0226 -0.0399 17 ALA A CA 127 C C . ALA A 17 ? 0.2786 0.1465 0.2549 0.0052 0.0165 -0.0330 17 ALA A C 128 O O . ALA A 17 ? 0.2583 0.1358 0.2343 -0.0003 0.0111 -0.0339 17 ALA A O 129 C CB . ALA A 17 ? 0.3158 0.1579 0.2766 -0.0046 0.0201 -0.0476 17 ALA A CB 130 N N . GLY A 18 ? 0.2681 0.1396 0.2516 0.0109 0.0178 -0.0263 18 GLY A N 131 C CA . GLY A 18 ? 0.2541 0.1413 0.2453 0.0101 0.0133 -0.0209 18 GLY A CA 132 C C . GLY A 18 ? 0.2669 0.1515 0.2615 0.0047 0.0100 -0.0194 18 GLY A C 133 O O . GLY A 18 ? 0.2423 0.1158 0.2330 -0.0013 0.0096 -0.0235 18 GLY A O 134 N N . PHE A 19 ? 0.2302 0.1268 0.2316 0.0059 0.0078 -0.0142 19 PHE A N 135 C CA . PHE A 19 ? 0.2248 0.1244 0.2300 0.0006 0.0039 -0.0130 19 PHE A CA 136 C C . PHE A 19 ? 0.2415 0.1450 0.2521 0.0041 0.0055 -0.0067 19 PHE A C 137 O O . PHE A 19 ? 0.2404 0.1535 0.2536 0.0103 0.0072 -0.0028 19 PHE A O 138 C CB . PHE A 19 ? 0.2089 0.1207 0.2160 -0.0022 -0.0006 -0.0139 19 PHE A CB 139 C CG . PHE A 19 ? 0.1896 0.0985 0.1911 -0.0057 -0.0025 -0.0182 19 PHE A CG 140 C CD1 . PHE A 19 ? 0.1976 0.1048 0.1977 -0.0111 -0.0058 -0.0205 19 PHE A CD1 141 C CD2 . PHE A 19 ? 0.1806 0.0906 0.1782 -0.0035 -0.0007 -0.0197 19 PHE A CD2 142 C CE1 . PHE A 19 ? 0.2168 0.1240 0.2108 -0.0139 -0.0076 -0.0240 19 PHE A CE1 143 C CE2 . PHE A 19 ? 0.1877 0.0958 0.1789 -0.0064 -0.0020 -0.0232 19 PHE A CE2 144 C CZ . PHE A 19 ? 0.1772 0.0840 0.1661 -0.0114 -0.0056 -0.0252 19 PHE A CZ 145 N N . SER A 20 ? 0.2288 0.1283 0.2411 -0.0002 0.0046 -0.0055 20 SER A N 146 C CA . SER A 20 ? 0.2076 0.1132 0.2247 0.0023 0.0057 0.0012 20 SER A CA 147 C C . SER A 20 ? 0.2196 0.1315 0.2400 -0.0044 0.0018 0.0004 20 SER A C 148 O O . SER A 20 ? 0.2165 0.1220 0.2351 -0.0108 0.0003 -0.0036 20 SER A O 149 C CB . SER A 20 ? 0.2172 0.1062 0.2321 0.0048 0.0115 0.0050 20 SER A CB 150 O OG . SER A 20 ? 0.2275 0.1218 0.2463 0.0073 0.0130 0.0131 20 SER A OG 151 N N . PRO A 21 ? 0.2149 0.1411 0.2400 -0.0029 0.0005 0.0041 21 PRO A N 152 C CA . PRO A 21 ? 0.2118 0.1444 0.2405 -0.0075 -0.0014 0.0049 21 PRO A CA 153 C C . PRO A 21 ? 0.2273 0.1473 0.2550 -0.0114 0.0014 0.0073 21 PRO A C 154 O O . PRO A 21 ? 0.2564 0.1654 0.2818 -0.0078 0.0060 0.0114 21 PRO A O 155 C CB . PRO A 21 ? 0.2139 0.1612 0.2459 -0.0036 -0.0009 0.0097 21 PRO A CB 156 C CG . PRO A 21 ? 0.2141 0.1671 0.2449 0.0016 -0.0004 0.0095 21 PRO A CG 157 C CD . PRO A 21 ? 0.2069 0.1463 0.2337 0.0029 0.0010 0.0070 21 PRO A CD 158 N N . ASP A 22 ? 0.2332 0.1548 0.2627 -0.0187 -0.0006 0.0049 22 ASP A N 159 C CA . ASP A 22 ? 0.2686 0.1780 0.2969 -0.0251 0.0025 0.0062 22 ASP A CA 160 C C . ASP A 22 ? 0.2604 0.1673 0.2901 -0.0226 0.0071 0.0146 22 ASP A C 161 O O . ASP A 22 ? 0.2610 0.1498 0.2876 -0.0248 0.0124 0.0172 22 ASP A O 162 C CB . ASP A 22 ? 0.2904 0.2103 0.3225 -0.0334 -0.0009 0.0035 22 ASP A CB 163 C CG . ASP A 22 ? 0.3927 0.3064 0.4214 -0.0408 -0.0025 -0.0034 22 ASP A CG 164 O OD1 . ASP A 22 ? 0.4895 0.3846 0.5130 -0.0449 0.0014 -0.0055 22 ASP A OD1 165 O OD2 . ASP A 22 ? 0.4409 0.3687 0.4719 -0.0426 -0.0075 -0.0066 22 ASP A OD2 166 N N . ASN A 23 ? 0.2453 0.1693 0.2791 -0.0184 0.0059 0.0191 23 ASN A N 167 C CA . ASN A 23 ? 0.2625 0.1872 0.2972 -0.0164 0.0101 0.0284 23 ASN A CA 168 C C . ASN A 23 ? 0.2825 0.1936 0.3134 -0.0084 0.0154 0.0345 23 ASN A C 169 O O . ASN A 23 ? 0.3067 0.2068 0.3362 -0.0078 0.0208 0.0422 23 ASN A O 170 C CB . ASN A 23 ? 0.2467 0.1945 0.2854 -0.0134 0.0079 0.0315 23 ASN A CB 171 C CG . ASN A 23 ? 0.2287 0.1866 0.2665 -0.0048 0.0074 0.0332 23 ASN A CG 172 O OD1 . ASN A 23 ? 0.2621 0.2212 0.2988 0.0013 0.0108 0.0413 23 ASN A OD1 173 N ND2 . ASN A 23 ? 0.1891 0.1556 0.2274 -0.0043 0.0033 0.0258 23 ASN A ND2 174 N N . LEU A 24 ? 0.2814 0.1934 0.3105 -0.0020 0.0142 0.0316 24 LEU A N 175 C CA . LEU A 24 ? 0.2968 0.1987 0.3229 0.0073 0.0192 0.0371 24 LEU A CA 176 C C . LEU A 24 ? 0.3308 0.2051 0.3518 0.0050 0.0241 0.0343 24 LEU A C 177 O O . LEU A 24 ? 0.3361 0.1953 0.3543 0.0113 0.0308 0.0412 24 LEU A O 178 C CB . LEU A 24 ? 0.2908 0.2059 0.3173 0.0141 0.0166 0.0345 24 LEU A CB 179 C CG . LEU A 24 ? 0.2629 0.2049 0.2933 0.0166 0.0131 0.0370 24 LEU A CG 180 C CD1 . LEU A 24 ? 0.2022 0.1553 0.2327 0.0211 0.0113 0.0335 24 LEU A CD1 181 C CD2 . LEU A 24 ? 0.2639 0.2148 0.2952 0.0230 0.0165 0.0488 24 LEU A CD2 182 N N . ARG A 25 ? 0.3441 0.2116 0.3634 -0.0040 0.0214 0.0245 25 ARG A N 183 C CA . ARG A 25 ? 0.3950 0.2366 0.4084 -0.0090 0.0261 0.0197 25 ARG A CA 184 C C . ARG A 25 ? 0.4220 0.2492 0.4348 -0.0153 0.0313 0.0248 25 ARG A C 185 O O . ARG A 25 ? 0.4424 0.2445 0.4500 -0.0138 0.0391 0.0270 25 ARG A O 186 C CB . ARG A 25 ? 0.3919 0.2352 0.4034 -0.0181 0.0210 0.0081 25 ARG A CB 187 C CG . ARG A 25 ? 0.4814 0.3003 0.4854 -0.0236 0.0255 0.0009 25 ARG A CG 188 C CD . ARG A 25 ? 0.5253 0.3519 0.5274 -0.0325 0.0196 -0.0098 25 ARG A CD 189 N NE . ARG A 25 ? 0.5661 0.4097 0.5737 -0.0416 0.0140 -0.0103 25 ARG A NE 190 C CZ . ARG A 25 ? 0.5859 0.4246 0.5936 -0.0534 0.0153 -0.0123 25 ARG A CZ 191 N NH1 . ARG A 25 ? 0.5977 0.4113 0.5994 -0.0590 0.0224 -0.0146 25 ARG A NH1 192 N NH2 . ARG A 25 ? 0.5947 0.4537 0.6086 -0.0599 0.0100 -0.0120 25 ARG A NH2 193 N N . LYS A 26 ? 0.4122 0.2544 0.4300 -0.0221 0.0279 0.0270 26 LYS A N 194 C CA . LYS A 26 ? 0.4395 0.2698 0.4572 -0.0295 0.0332 0.0324 26 LYS A CA 195 C C . LYS A 26 ? 0.4437 0.2683 0.4608 -0.0191 0.0396 0.0459 26 LYS A C 196 O O . LYS A 26 ? 0.4717 0.2733 0.4852 -0.0214 0.0476 0.0517 26 LYS A O 197 C CB . LYS A 26 ? 0.4371 0.2881 0.4608 -0.0395 0.0281 0.0310 26 LYS A CB 198 C CG . LYS A 26 ? 0.4676 0.3248 0.4918 -0.0495 0.0223 0.0191 26 LYS A CG 199 C CD . LYS A 26 ? 0.5061 0.3926 0.5376 -0.0516 0.0155 0.0185 26 LYS A CD 200 C CE . LYS A 26 ? 0.5517 0.4445 0.5870 -0.0640 0.0163 0.0193 26 LYS A CE 201 N NZ . LYS A 26 ? 0.5783 0.4997 0.6205 -0.0654 0.0094 0.0162 26 LYS A NZ 202 N N . ASN A 27 ? 0.4187 0.2640 0.4388 -0.0076 0.0366 0.0515 27 ASN A N 203 C CA . ASN A 27 ? 0.4406 0.2859 0.4600 0.0043 0.0420 0.0653 27 ASN A CA 204 C C . ASN A 27 ? 0.4562 0.3002 0.4765 0.0002 0.0462 0.0757 27 ASN A C 205 O O . ASN A 27 ? 0.4777 0.3081 0.4951 0.0073 0.0539 0.0878 27 ASN A O 206 C CB . ASN A 27 ? 0.4561 0.2765 0.4701 0.0139 0.0493 0.0678 27 ASN A CB 207 C CG . ASN A 27 ? 0.4631 0.2944 0.4777 0.0304 0.0523 0.0810 27 ASN A CG 208 O OD1 . ASN A 27 ? 0.3675 0.2262 0.3857 0.0369 0.0467 0.0811 27 ASN A OD1 209 N ND2 . ASN A 27 ? 0.4996 0.3100 0.5106 0.0372 0.0616 0.0926 27 ASN A ND2 210 N N . THR A 28 ? 0.4523 0.3114 0.4768 -0.0108 0.0416 0.0715 28 THR A N 211 C CA . THR A 28 ? 0.4684 0.3318 0.4945 -0.0158 0.0448 0.0808 28 THR A CA 212 C C . THR A 28 ? 0.4386 0.3364 0.4705 -0.0177 0.0379 0.0795 28 THR A C 213 O O . THR A 28 ? 0.3926 0.3044 0.4276 -0.0209 0.0310 0.0687 28 THR A O 214 C CB . THR A 28 ? 0.4897 0.3287 0.5137 -0.0306 0.0499 0.0779 28 THR A CB 215 O OG1 . THR A 28 ? 0.5482 0.3858 0.5724 -0.0333 0.0558 0.0903 28 THR A OG1 216 C CG2 . THR A 28 ? 0.4791 0.3304 0.5072 -0.0441 0.0432 0.0649 28 THR A CG2 217 N N . SER A 29 ? 0.4497 0.3607 0.4824 -0.0146 0.0404 0.0910 29 SER A N 218 C CA . SER A 29 ? 0.4274 0.3706 0.4645 -0.0155 0.0351 0.0897 29 SER A CA 219 C C . SER A 29 ? 0.4111 0.3613 0.4529 -0.0280 0.0312 0.0794 29 SER A C 220 O O . SER A 29 ? 0.4166 0.3521 0.4586 -0.0385 0.0344 0.0790 29 SER A O 221 C CB . SER A 29 ? 0.4540 0.4077 0.4902 -0.0125 0.0398 0.1042 29 SER A CB 222 O OG . SER A 29 ? 0.4627 0.4487 0.5021 -0.0124 0.0351 0.1020 29 SER A OG 223 N N . GLN A 30 ? 0.3833 0.3562 0.4286 -0.0268 0.0247 0.0712 30 GLN A N 224 C CA . GLN A 30 ? 0.3875 0.3713 0.4378 -0.0357 0.0209 0.0625 30 GLN A CA 225 C C . GLN A 30 ? 0.3639 0.3757 0.4179 -0.0350 0.0197 0.0642 30 GLN A C 226 O O . GLN A 30 ? 0.3462 0.3721 0.3986 -0.0269 0.0187 0.0658 30 GLN A O 227 C CB . GLN A 30 ? 0.3689 0.3525 0.4198 -0.0339 0.0150 0.0507 30 GLN A CB 228 C CG . GLN A 30 ? 0.4359 0.3946 0.4828 -0.0346 0.0157 0.0471 30 GLN A CG 229 C CD . GLN A 30 ? 0.4924 0.4356 0.5392 -0.0465 0.0183 0.0455 30 GLN A CD 230 O OE1 . GLN A 30 ? 0.5325 0.4875 0.5837 -0.0550 0.0160 0.0415 30 GLN A OE1 231 N NE2 . GLN A 30 ? 0.5417 0.4592 0.5832 -0.0472 0.0237 0.0485 30 GLN A NE2 232 N N . PRO A 31 ? 0.3648 0.3870 0.4237 -0.0437 0.0200 0.0631 31 PRO A N 233 C CA . PRO A 31 ? 0.3494 0.3993 0.4116 -0.0420 0.0194 0.0637 31 PRO A CA 234 C C . PRO A 31 ? 0.3358 0.3993 0.3998 -0.0362 0.0143 0.0531 31 PRO A C 235 O O . PRO A 31 ? 0.3294 0.4114 0.3928 -0.0308 0.0142 0.0523 31 PRO A O 236 C CB . PRO A 31 ? 0.3663 0.4228 0.4338 -0.0532 0.0216 0.0655 31 PRO A CB 237 C CG . PRO A 31 ? 0.3768 0.4098 0.4437 -0.0618 0.0224 0.0637 31 PRO A CG 238 C CD . PRO A 31 ? 0.3726 0.3836 0.4338 -0.0556 0.0212 0.0609 31 PRO A CD 239 N N . SER A 32 ? 0.3189 0.3729 0.3842 -0.0375 0.0106 0.0450 32 SER A N 240 C CA . SER A 32 ? 0.3052 0.3653 0.3709 -0.0313 0.0065 0.0359 32 SER A CA 241 C C . SER A 32 ? 0.3052 0.3469 0.3695 -0.0328 0.0036 0.0308 32 SER A C 242 O O . SER A 32 ? 0.3160 0.3439 0.3797 -0.0394 0.0048 0.0330 32 SER A O 243 C CB . SER A 32 ? 0.3029 0.3827 0.3742 -0.0314 0.0056 0.0317 32 SER A CB 244 O OG . SER A 32 ? 0.3191 0.4000 0.3954 -0.0392 0.0048 0.0316 32 SER A OG 245 N N . CYS A 33 ? 0.2793 0.3202 0.3424 -0.0272 0.0006 0.0239 33 CYS A N 246 C CA . CYS A 33 ? 0.2771 0.3028 0.3381 -0.0276 -0.0022 0.0192 33 CYS A CA 247 C C . CYS A 33 ? 0.2613 0.2952 0.3244 -0.0238 -0.0051 0.0128 33 CYS A C 248 O O . CYS A 33 ? 0.2701 0.3006 0.3303 -0.0183 -0.0058 0.0091 33 CYS A O 249 C CB . CYS A 33 ? 0.2798 0.2931 0.3353 -0.0229 -0.0017 0.0197 33 CYS A CB 250 S SG . CYS A 33 ? 0.3233 0.3254 0.3757 -0.0239 0.0028 0.0291 33 CYS A SG 251 N N . PRO A 34 ? 0.2516 0.2970 0.3201 -0.0266 -0.0063 0.0121 34 PRO A N 252 C CA . PRO A 34 ? 0.2502 0.3037 0.3210 -0.0208 -0.0082 0.0076 34 PRO A CA 253 C C . PRO A 34 ? 0.2369 0.2772 0.3040 -0.0189 -0.0112 0.0041 34 PRO A C 254 O O . PRO A 34 ? 0.2328 0.2737 0.2995 -0.0122 -0.0118 0.0011 34 PRO A O 255 C CB . PRO A 34 ? 0.2536 0.3252 0.3316 -0.0248 -0.0089 0.0093 34 PRO A CB 256 C CG . PRO A 34 ? 0.2778 0.3442 0.3558 -0.0358 -0.0082 0.0129 34 PRO A CG 257 C CD . PRO A 34 ? 0.2740 0.3265 0.3466 -0.0352 -0.0052 0.0159 34 PRO A CD 258 N N . LEU A 35 ? 0.2329 0.2603 0.2968 -0.0244 -0.0122 0.0045 35 LEU A N 259 C CA . LEU A 35 ? 0.2358 0.2517 0.2955 -0.0233 -0.0147 0.0013 35 LEU A CA 260 C C . LEU A 35 ? 0.2453 0.2436 0.2995 -0.0267 -0.0136 0.0015 35 LEU A C 261 O O . LEU A 35 ? 0.2639 0.2558 0.3166 -0.0334 -0.0141 0.0007 35 LEU A O 262 C CB . LEU A 35 ? 0.2453 0.2710 0.3079 -0.0267 -0.0179 0.0004 35 LEU A CB 263 C CG . LEU A 35 ? 0.2644 0.2866 0.3237 -0.0225 -0.0208 -0.0019 35 LEU A CG 264 C CD1 . LEU A 35 ? 0.2701 0.3011 0.3323 -0.0129 -0.0202 -0.0012 35 LEU A CD1 265 C CD2 . LEU A 35 ? 0.2943 0.3247 0.3543 -0.0294 -0.0243 -0.0029 35 LEU A CD2 266 N N . ASP A 36 ? 0.2087 0.2003 0.2598 -0.0222 -0.0116 0.0021 36 ASP A N 267 C CA . ASP A 36 ? 0.2160 0.1929 0.2624 -0.0226 -0.0099 0.0031 36 ASP A CA 268 C C . ASP A 36 ? 0.1974 0.1651 0.2393 -0.0204 -0.0117 -0.0010 36 ASP A C 269 O O . ASP A 36 ? 0.2076 0.1750 0.2479 -0.0158 -0.0115 -0.0022 36 ASP A O 270 C CB . ASP A 36 ? 0.2136 0.1934 0.2595 -0.0183 -0.0073 0.0067 36 ASP A CB 271 C CG . ASP A 36 ? 0.1973 0.1647 0.2395 -0.0168 -0.0046 0.0099 36 ASP A CG 272 O OD1 . ASP A 36 ? 0.2840 0.2402 0.3249 -0.0206 -0.0026 0.0120 36 ASP A OD1 273 O OD2 . ASP A 36 ? 0.2101 0.1801 0.2506 -0.0117 -0.0039 0.0107 36 ASP A OD2 274 N N . LEU A 37 ? 0.2073 0.1690 0.2471 -0.0248 -0.0131 -0.0033 37 LEU A N 275 C CA . LEU A 37 ? 0.2118 0.1669 0.2469 -0.0232 -0.0148 -0.0068 37 LEU A CA 276 C C . LEU A 37 ? 0.2294 0.1720 0.2597 -0.0204 -0.0121 -0.0070 37 LEU A C 277 O O . LEU A 37 ? 0.2373 0.1741 0.2674 -0.0200 -0.0090 -0.0042 37 LEU A O 278 C CB . LEU A 37 ? 0.2210 0.1758 0.2543 -0.0297 -0.0170 -0.0098 37 LEU A CB 279 C CG . LEU A 37 ? 0.2086 0.1795 0.2469 -0.0332 -0.0199 -0.0094 37 LEU A CG 280 C CD1 . LEU A 37 ? 0.2810 0.2517 0.3165 -0.0420 -0.0216 -0.0131 37 LEU A CD1 281 C CD2 . LEU A 37 ? 0.1685 0.1497 0.2087 -0.0260 -0.0223 -0.0085 37 LEU A CD2 282 N N . ILE A 38 ? 0.2450 0.1843 0.2714 -0.0181 -0.0131 -0.0096 38 ILE A N 283 C CA . ILE A 38 ? 0.2563 0.1867 0.2785 -0.0153 -0.0105 -0.0100 38 ILE A CA 284 C C . ILE A 38 ? 0.2487 0.1698 0.2655 -0.0191 -0.0106 -0.0137 38 ILE A C 285 O O . ILE A 38 ? 0.2613 0.1854 0.2755 -0.0203 -0.0134 -0.0162 38 ILE A O 286 C CB . ILE A 38 ? 0.2348 0.1689 0.2561 -0.0116 -0.0108 -0.0107 38 ILE A CB 287 C CG1 . ILE A 38 ? 0.2686 0.2124 0.2943 -0.0098 -0.0110 -0.0095 38 ILE A CG1 288 C CG2 . ILE A 38 ? 0.2542 0.1832 0.2723 -0.0085 -0.0080 -0.0108 38 ILE A CG2 289 C CD1 . ILE A 38 ? 0.2382 0.1874 0.2665 -0.0079 -0.0088 -0.0066 38 ILE A CD1 290 N N . THR A 39 ? 0.2578 0.1679 0.2726 -0.0209 -0.0073 -0.0140 39 THR A N 291 C CA . THR A 39 ? 0.2484 0.1484 0.2572 -0.0263 -0.0066 -0.0192 39 THR A CA 292 C C . THR A 39 ? 0.2531 0.1407 0.2557 -0.0223 -0.0026 -0.0215 39 THR A C 293 O O . THR A 39 ? 0.2413 0.1257 0.2450 -0.0155 0.0009 -0.0178 39 THR A O 294 C CB . THR A 39 ? 0.2791 0.1726 0.2887 -0.0341 -0.0049 -0.0199 39 THR A CB 295 O OG1 A THR A 39 ? 0.2427 0.1231 0.2521 -0.0307 0.0008 -0.0159 39 THR A OG1 296 O OG1 B THR A 39 ? 0.2592 0.1394 0.2615 -0.0396 -0.0027 -0.0263 39 THR A OG1 297 C CG2 A THR A 39 ? 0.2584 0.1678 0.2747 -0.0380 -0.0088 -0.0176 39 THR A CG2 298 C CG2 B THR A 39 ? 0.2591 0.1457 0.2718 -0.0304 -0.0003 -0.0135 39 THR A CG2 299 N N . GLN A 40 ? 0.2603 0.1430 0.2561 -0.0262 -0.0029 -0.0277 40 GLN A N 300 C CA . GLN A 40 ? 0.2470 0.1199 0.2366 -0.0216 0.0012 -0.0305 40 GLN A CA 301 C C . GLN A 40 ? 0.2706 0.1237 0.2562 -0.0226 0.0076 -0.0328 40 GLN A C 302 O O . GLN A 40 ? 0.3112 0.1563 0.2949 -0.0313 0.0081 -0.0365 40 GLN A O 303 C CB . GLN A 40 ? 0.2463 0.1239 0.2293 -0.0249 -0.0016 -0.0360 40 GLN A CB 304 C CG . GLN A 40 ? 0.2587 0.1311 0.2358 -0.0192 0.0024 -0.0383 40 GLN A CG 305 C CD . GLN A 40 ? 0.3219 0.2009 0.2920 -0.0224 -0.0004 -0.0428 40 GLN A CD 306 O OE1 . GLN A 40 ? 0.3336 0.2178 0.3009 -0.0297 -0.0043 -0.0462 40 GLN A OE1 307 N NE2 . GLN A 40 ? 0.3187 0.2002 0.2857 -0.0171 0.0017 -0.0423 40 GLN A NE2 308 N N . LEU A 41 ? 0.2728 0.1178 0.2570 -0.0137 0.0130 -0.0305 41 LEU A N 309 C CA . LEU A 41 ? 0.3006 0.1232 0.2805 -0.0116 0.0209 -0.0316 41 LEU A CA 310 C C . LEU A 41 ? 0.3423 0.1531 0.3122 -0.0125 0.0246 -0.0408 41 LEU A C 311 O O . LEU A 41 ? 0.3304 0.1458 0.2986 -0.0046 0.0263 -0.0408 41 LEU A O 312 C CB . LEU A 41 ? 0.2988 0.1225 0.2837 0.0008 0.0251 -0.0223 41 LEU A CB 313 C CG . LEU A 41 ? 0.3287 0.1670 0.3224 0.0022 0.0217 -0.0137 41 LEU A CG 314 C CD1 . LEU A 41 ? 0.3544 0.1927 0.3511 0.0142 0.0268 -0.0047 41 LEU A CD1 315 C CD2 . LEU A 41 ? 0.3008 0.1324 0.2956 -0.0075 0.0207 -0.0137 41 LEU A CD2 316 N N . ARG A 42 ? 0.3697 0.1667 0.3329 -0.0229 0.0262 -0.0491 42 ARG A N 317 C CA . ARG A 42 ? 0.4098 0.2011 0.3625 -0.0274 0.0275 -0.0601 42 ARG A CA 318 C C . ARG A 42 ? 0.4593 0.2216 0.4029 -0.0287 0.0372 -0.0675 42 ARG A C 319 O O . ARG A 42 ? 0.4868 0.2420 0.4208 -0.0287 0.0407 -0.0765 42 ARG A O 320 C CB . ARG A 42 ? 0.3972 0.2021 0.3480 -0.0406 0.0201 -0.0660 42 ARG A CB 321 C CG . ARG A 42 ? 0.3869 0.2183 0.3438 -0.0379 0.0117 -0.0602 42 ARG A CG 322 C CD . ARG A 42 ? 0.4862 0.3333 0.4409 -0.0487 0.0047 -0.0648 42 ARG A CD 323 N NE . ARG A 42 ? 0.5482 0.3972 0.4921 -0.0518 0.0048 -0.0733 42 ARG A NE 324 C CZ . ARG A 42 ? 0.6093 0.4620 0.5460 -0.0635 0.0027 -0.0823 42 ARG A CZ 325 N NH1 . ARG A 42 ? 0.5848 0.4392 0.5246 -0.0742 0.0006 -0.0844 42 ARG A NH1 326 N NH2 . ARG A 42 ? 0.6423 0.4987 0.5685 -0.0654 0.0029 -0.0898 42 ARG A NH2 327 N N . PHE A 43 ? 0.4991 0.2434 0.4446 -0.0304 0.0421 -0.0643 43 PHE A N 328 C CA . PHE A 43 ? 0.5438 0.2555 0.4793 -0.0338 0.0523 -0.0724 43 PHE A CA 329 C C . PHE A 43 ? 0.5661 0.2538 0.5029 -0.0217 0.0626 -0.0640 43 PHE A C 330 O O . PHE A 43 ? 0.5777 0.2501 0.5163 -0.0269 0.0661 -0.0601 43 PHE A O 331 C CB . PHE A 43 ? 0.5787 0.2829 0.5100 -0.0532 0.0512 -0.0815 43 PHE A CB 332 C CG . PHE A 43 ? 0.6057 0.3332 0.5338 -0.0648 0.0422 -0.0905 43 PHE A CG 333 C CD1 . PHE A 43 ? 0.6158 0.3693 0.5521 -0.0725 0.0323 -0.0866 43 PHE A CD1 334 C CD2 . PHE A 43 ? 0.6742 0.3988 0.5909 -0.0672 0.0440 -0.1024 43 PHE A CD2 335 C CE1 . PHE A 43 ? 0.6392 0.4160 0.5727 -0.0815 0.0243 -0.0933 43 PHE A CE1 336 C CE2 . PHE A 43 ? 0.6973 0.4457 0.6104 -0.0773 0.0356 -0.1095 43 PHE A CE2 337 C CZ . PHE A 43 ? 0.6656 0.4405 0.5874 -0.0839 0.0257 -0.1042 43 PHE A CZ 338 N N . PRO A 44 ? 0.5520 0.2361 0.4874 -0.0056 0.0682 -0.0609 44 PRO A N 339 C CA . PRO A 44 ? 0.5357 0.2354 0.4682 0.0002 0.0660 -0.0656 44 PRO A CA 340 C C . PRO A 44 ? 0.4916 0.2256 0.4350 0.0052 0.0564 -0.0562 44 PRO A C 341 O O . PRO A 44 ? 0.5008 0.2443 0.4531 0.0051 0.0523 -0.0470 44 PRO A O 342 C CB . PRO A 44 ? 0.5589 0.2403 0.4881 0.0168 0.0774 -0.0630 44 PRO A CB 343 C CG . PRO A 44 ? 0.5501 0.2241 0.4871 0.0255 0.0810 -0.0488 44 PRO A CG 344 C CD . PRO A 44 ? 0.5586 0.2245 0.4962 0.0091 0.0777 -0.0504 44 PRO A CD 345 N N . PRO A 45 ? 0.4645 0.2162 0.4066 0.0089 0.0533 -0.0588 45 PRO A N 346 C CA . PRO A 45 ? 0.4147 0.1955 0.3664 0.0135 0.0459 -0.0501 45 PRO A CA 347 C C . PRO A 45 ? 0.4033 0.1892 0.3635 0.0272 0.0492 -0.0381 45 PRO A C 348 O O . PRO A 45 ? 0.4156 0.1895 0.3734 0.0388 0.0579 -0.0365 45 PRO A O 349 C CB . PRO A 45 ? 0.4223 0.2153 0.3689 0.0150 0.0450 -0.0556 45 PRO A CB 350 C CG . PRO A 45 ? 0.4519 0.2271 0.3857 0.0066 0.0485 -0.0688 45 PRO A CG 351 C CD . PRO A 45 ? 0.4878 0.2336 0.4188 0.0077 0.0569 -0.0702 45 PRO A CD 352 N N . ARG A 46 ? 0.3581 0.1619 0.3277 0.0262 0.0428 -0.0299 46 ARG A N 353 C CA . ARG A 46 ? 0.3496 0.1633 0.3275 0.0377 0.0446 -0.0182 46 ARG A CA 354 C C . ARG A 46 ? 0.3250 0.1678 0.3102 0.0364 0.0369 -0.0146 46 ARG A C 355 O O . ARG A 46 ? 0.3116 0.1612 0.2972 0.0263 0.0303 -0.0182 46 ARG A O 356 C CB . ARG A 46 ? 0.3623 0.1664 0.3436 0.0359 0.0454 -0.0117 46 ARG A CB 357 C CG . ARG A 46 ? 0.4125 0.1892 0.3893 0.0429 0.0556 -0.0092 46 ARG A CG 358 C CD . ARG A 46 ? 0.5227 0.2761 0.4933 0.0298 0.0569 -0.0167 46 ARG A CD 359 N NE . ARG A 46 ? 0.5066 0.2651 0.4824 0.0205 0.0519 -0.0126 46 ARG A NE 360 C CZ . ARG A 46 ? 0.4833 0.2375 0.4566 0.0053 0.0481 -0.0203 46 ARG A CZ 361 N NH1 . ARG A 46 ? 0.4910 0.2376 0.4564 -0.0022 0.0481 -0.0323 46 ARG A NH1 362 N NH2 . ARG A 46 ? 0.4597 0.2202 0.4381 -0.0025 0.0443 -0.0162 46 ARG A NH2 363 N N . ILE A 47 ? 0.3112 0.1711 0.3022 0.0466 0.0383 -0.0074 47 ILE A N 364 C CA . ILE A 47 ? 0.2922 0.1791 0.2893 0.0440 0.0321 -0.0055 47 ILE A CA 365 C C . ILE A 47 ? 0.2743 0.1704 0.2768 0.0368 0.0257 -0.0026 47 ILE A C 366 O O . ILE A 47 ? 0.2409 0.1526 0.2461 0.0311 0.0203 -0.0041 47 ILE A O 367 C CB . ILE A 47 ? 0.3118 0.2177 0.3140 0.0556 0.0354 0.0011 47 ILE A CB 368 C CG1 . ILE A 47 ? 0.2638 0.1935 0.2692 0.0515 0.0312 -0.0006 47 ILE A CG1 369 C CG2 . ILE A 47 ? 0.3316 0.2462 0.3402 0.0621 0.0359 0.0111 47 ILE A CG2 370 C CD1 . ILE A 47 ? 0.2899 0.2399 0.2995 0.0621 0.0353 0.0040 47 ILE A CD1 371 N N . GLY A 48 ? 0.2600 0.1449 0.2632 0.0368 0.0269 0.0012 48 GLY A N 372 C CA . GLY A 48 ? 0.2584 0.1515 0.2663 0.0305 0.0218 0.0038 48 GLY A CA 373 C C . GLY A 48 ? 0.2549 0.1691 0.2695 0.0360 0.0208 0.0117 48 GLY A C 374 O O . GLY A 48 ? 0.2717 0.1898 0.2878 0.0463 0.0253 0.0187 48 GLY A O 375 N N . VAL A 49 ? 0.2486 0.1776 0.2667 0.0294 0.0151 0.0105 49 VAL A N 376 C CA . VAL A 49 ? 0.2293 0.1792 0.2528 0.0315 0.0134 0.0162 49 VAL A CA 377 C C . VAL A 49 ? 0.2272 0.1953 0.2528 0.0267 0.0096 0.0116 49 VAL A C 378 O O . VAL A 49 ? 0.2555 0.2181 0.2793 0.0191 0.0065 0.0054 49 VAL A O 379 C CB . VAL A 49 ? 0.2189 0.1670 0.2440 0.0266 0.0113 0.0182 49 VAL A CB 380 C CG1 . VAL A 49 ? 0.2008 0.1732 0.2304 0.0292 0.0098 0.0236 49 VAL A CG1 381 C CG2 . VAL A 49 ? 0.2100 0.1377 0.2327 0.0292 0.0158 0.0226 49 VAL A CG2 382 N N . PRO A 50 ? 0.2189 0.2093 0.2480 0.0308 0.0100 0.0148 50 PRO A N 383 C CA . PRO A 50 ? 0.2176 0.2239 0.2480 0.0240 0.0072 0.0095 50 PRO A CA 384 C C . PRO A 50 ? 0.2031 0.2139 0.2344 0.0156 0.0035 0.0057 50 PRO A C 385 O O . PRO A 50 ? 0.2067 0.2162 0.2388 0.0158 0.0026 0.0083 50 PRO A O 386 C CB . PRO A 50 ? 0.2155 0.2486 0.2501 0.0299 0.0086 0.0144 50 PRO A CB 387 C CG . PRO A 50 ? 0.2623 0.2916 0.2975 0.0420 0.0124 0.0235 50 PRO A CG 388 C CD . PRO A 50 ? 0.2339 0.2382 0.2660 0.0406 0.0127 0.0239 50 PRO A CD 389 N N . VAL A 51 ? 0.1890 0.2038 0.2195 0.0081 0.0021 -0.0005 51 VAL A N 390 C CA . VAL A 51 ? 0.1857 0.2043 0.2164 0.0006 -0.0001 -0.0052 51 VAL A CA 391 C C . VAL A 51 ? 0.1891 0.2285 0.2214 -0.0044 0.0002 -0.0083 51 VAL A C 392 O O . VAL A 51 ? 0.2036 0.2531 0.2370 -0.0028 0.0017 -0.0071 51 VAL A O 393 C CB . VAL A 51 ? 0.1856 0.1854 0.2129 -0.0048 -0.0010 -0.0103 51 VAL A CB 394 C CG1 . VAL A 51 ? 0.1864 0.1693 0.2125 -0.0020 -0.0019 -0.0084 51 VAL A CG1 395 C CG2 . VAL A 51 ? 0.2070 0.2023 0.2317 -0.0069 0.0004 -0.0126 51 VAL A CG2 396 N N . ILE A 52 ? 0.1900 0.2359 0.2221 -0.0112 -0.0008 -0.0131 52 ILE A N 397 C CA . ILE A 52 ? 0.2023 0.2651 0.2347 -0.0197 -0.0002 -0.0189 52 ILE A CA 398 C C . ILE A 52 ? 0.2067 0.2525 0.2353 -0.0284 0.0007 -0.0266 52 ILE A C 399 O O . ILE A 52 ? 0.2077 0.2403 0.2349 -0.0276 0.0002 -0.0278 52 ILE A O 400 C CB . ILE A 52 ? 0.2026 0.2917 0.2371 -0.0205 -0.0013 -0.0184 52 ILE A CB 401 C CG1 . ILE A 52 ? 0.2318 0.3413 0.2702 -0.0111 -0.0014 -0.0095 52 ILE A CG1 402 C CG2 . ILE A 52 ? 0.1731 0.2766 0.2064 -0.0328 -0.0006 -0.0276 52 ILE A CG2 403 C CD1 . ILE A 52 ? 0.2661 0.3971 0.3061 -0.0067 -0.0027 -0.0043 52 ILE A CD1 404 N N . PHE A 53 ? 0.2131 0.2597 0.2402 -0.0362 0.0027 -0.0313 53 PHE A N 405 C CA . PHE A 53 ? 0.2253 0.2541 0.2481 -0.0446 0.0051 -0.0381 53 PHE A CA 406 C C . PHE A 53 ? 0.2451 0.2868 0.2668 -0.0552 0.0068 -0.0465 53 PHE A C 407 O O . PHE A 53 ? 0.2487 0.3151 0.2726 -0.0606 0.0068 -0.0482 53 PHE A O 408 C CB . PHE A 53 ? 0.2386 0.2569 0.2592 -0.0478 0.0074 -0.0377 53 PHE A CB 409 C CG . PHE A 53 ? 0.2377 0.2435 0.2578 -0.0387 0.0061 -0.0312 53 PHE A CG 410 C CD1 . PHE A 53 ? 0.2435 0.2274 0.2606 -0.0352 0.0055 -0.0300 53 PHE A CD1 411 C CD2 . PHE A 53 ? 0.2562 0.2737 0.2788 -0.0332 0.0056 -0.0265 53 PHE A CD2 412 C CE1 . PHE A 53 ? 0.2635 0.2379 0.2796 -0.0282 0.0039 -0.0252 53 PHE A CE1 413 C CE2 . PHE A 53 ? 0.2517 0.2565 0.2726 -0.0256 0.0049 -0.0222 53 PHE A CE2 414 C CZ . PHE A 53 ? 0.1955 0.1791 0.2129 -0.0239 0.0038 -0.0219 53 PHE A CZ 415 N N . THR A 54 ? 0.2511 0.2778 0.2693 -0.0583 0.0085 -0.0521 54 THR A N 416 C CA . THR A 54 ? 0.2699 0.3048 0.2853 -0.0696 0.0111 -0.0623 54 THR A CA 417 C C . THR A 54 ? 0.2984 0.3044 0.3081 -0.0761 0.0164 -0.0688 54 THR A C 418 O O . THR A 54 ? 0.2908 0.2763 0.2983 -0.0703 0.0176 -0.0686 54 THR A O 419 C CB . THR A 54 ? 0.2607 0.3085 0.2766 -0.0667 0.0093 -0.0641 54 THR A CB 420 O OG1 A THR A 54 ? 0.2288 0.2955 0.2496 -0.0571 0.0050 -0.0548 54 THR A OG1 421 O OG1 B THR A 54 ? 0.2846 0.3135 0.3004 -0.0572 0.0086 -0.0600 54 THR A OG1 422 C CG2 A THR A 54 ? 0.2476 0.3132 0.2605 -0.0791 0.0113 -0.0751 54 THR A CG2 423 C CG2 B THR A 54 ? 0.2598 0.3371 0.2806 -0.0611 0.0052 -0.0571 54 THR A CG2 424 N N . PRO A 55 ? 0.3241 0.3281 0.3312 -0.0878 0.0203 -0.0740 55 PRO A N 425 C CA . PRO A 55 ? 0.3469 0.3206 0.3478 -0.0941 0.0266 -0.0792 55 PRO A CA 426 C C . PRO A 55 ? 0.3762 0.3410 0.3726 -0.0983 0.0303 -0.0893 55 PRO A C 427 O O . PRO A 55 ? 0.3704 0.3584 0.3674 -0.1033 0.0288 -0.0957 55 PRO A O 428 C CB . PRO A 55 ? 0.3603 0.3418 0.3601 -0.1085 0.0300 -0.0835 55 PRO A CB 429 C CG . PRO A 55 ? 0.3412 0.3493 0.3476 -0.1033 0.0247 -0.0755 55 PRO A CG 430 C CD . PRO A 55 ? 0.3240 0.3527 0.3343 -0.0948 0.0194 -0.0735 55 PRO A CD 431 N N . GLN A 56 ? 0.4002 0.3322 0.3916 -0.0955 0.0356 -0.0903 56 GLN A N 432 C CA . GLN A 56 ? 0.4334 0.3512 0.4194 -0.0986 0.0410 -0.1004 56 GLN A CA 433 C C . GLN A 56 ? 0.4648 0.3886 0.4459 -0.1172 0.0460 -0.1142 56 GLN A C 434 O O . GLN A 56 ? 0.4631 0.3901 0.4404 -0.1224 0.0487 -0.1251 56 GLN A O 435 C CB . GLN A 56 ? 0.4488 0.3289 0.4302 -0.0923 0.0471 -0.0977 56 GLN A CB 436 C CG . GLN A 56 ? 0.4478 0.3066 0.4222 -0.0955 0.0552 -0.1089 56 GLN A CG 437 C CD . GLN A 56 ? 0.4067 0.2356 0.3793 -0.0817 0.0590 -0.1021 56 GLN A CD 438 O OE1 . GLN A 56 ? 0.4226 0.2348 0.3945 -0.0781 0.0603 -0.0933 56 GLN A OE1 439 N NE2 . GLN A 56 ? 0.4613 0.2857 0.4333 -0.0732 0.0609 -0.1053 56 GLN A NE2 440 N N . ASN A 57 ? 0.4854 0.4107 0.4662 -0.1278 0.0476 -0.1141 57 ASN A N 441 C CA . ASN A 57 ? 0.5197 0.4568 0.4971 -0.1476 0.0515 -0.1266 57 ASN A CA 442 C C . ASN A 57 ? 0.4963 0.4802 0.4808 -0.1496 0.0436 -0.1252 57 ASN A C 443 O O . ASN A 57 ? 0.4746 0.4756 0.4650 -0.1462 0.0392 -0.1160 57 ASN A O 444 C CB . ASN A 57 ? 0.5516 0.4684 0.5257 -0.1587 0.0579 -0.1265 57 ASN A CB 445 C CG . ASN A 57 ? 0.6064 0.5334 0.5764 -0.1822 0.0630 -0.1408 57 ASN A CG 446 O OD1 . ASN A 57 ? 0.6017 0.5603 0.5729 -0.1903 0.0600 -0.1498 57 ASN A OD1 447 N ND2 . ASN A 57 ? 0.7124 0.6138 0.6774 -0.1939 0.0711 -0.1427 57 ASN A ND2 448 N N . SER A 58 ? 0.5057 0.5104 0.4889 -0.1536 0.0422 -0.1339 58 SER A N 449 C CA . SER A 58 ? 0.5017 0.5524 0.4911 -0.1525 0.0346 -0.1312 58 SER A CA 450 C C . SER A 58 ? 0.5020 0.5828 0.4930 -0.1695 0.0346 -0.1368 58 SER A C 451 O O . SER A 58 ? 0.4871 0.6094 0.4842 -0.1677 0.0284 -0.1325 58 SER A O 452 C CB . SER A 58 ? 0.5108 0.5745 0.4972 -0.1511 0.0335 -0.1382 58 SER A CB 453 O OG . SER A 58 ? 0.5689 0.6163 0.5463 -0.1660 0.0412 -0.1549 58 SER A OG 454 N N . SER A 59 ? 0.5229 0.5834 0.5086 -0.1857 0.0419 -0.1458 59 SER A N 455 C CA . SER A 59 ? 0.5212 0.6084 0.5090 -0.2033 0.0426 -0.1504 59 SER A CA 456 C C . SER A 59 ? 0.4965 0.5961 0.4926 -0.1943 0.0385 -0.1357 59 SER A C 457 O O . SER A 59 ? 0.4892 0.6263 0.4909 -0.2019 0.0359 -0.1351 59 SER A O 458 C CB . SER A 59 ? 0.5561 0.6128 0.5355 -0.2235 0.0527 -0.1631 59 SER A CB 459 O OG . SER A 59 ? 0.6026 0.6380 0.5729 -0.2298 0.0583 -0.1769 59 SER A OG 460 N N . LEU A 60 ? 0.4715 0.5413 0.4683 -0.1781 0.0382 -0.1243 60 LEU A N 461 C CA . LEU A 60 ? 0.4473 0.5191 0.4492 -0.1717 0.0368 -0.1126 60 LEU A CA 462 C C . LEU A 60 ? 0.4112 0.5206 0.4222 -0.1587 0.0290 -0.1022 60 LEU A C 463 O O . LEU A 60 ? 0.3836 0.4954 0.3967 -0.1436 0.0243 -0.0962 60 LEU A O 464 C CB . LEU A 60 ? 0.4582 0.4864 0.4566 -0.1602 0.0395 -0.1048 60 LEU A CB 465 C CG . LEU A 60 ? 0.4882 0.4761 0.4779 -0.1711 0.0487 -0.1111 60 LEU A CG 466 C CD1 . LEU A 60 ? 0.4773 0.4300 0.4646 -0.1562 0.0498 -0.1005 60 LEU A CD1 467 C CD2 . LEU A 60 ? 0.5064 0.5009 0.4950 -0.1907 0.0539 -0.1161 60 LEU A CD2 468 N N . LYS A 61 ? 0.3864 0.5247 0.4027 -0.1646 0.0283 -0.0998 61 LYS A N 469 C CA . LYS A 61 ? 0.3575 0.5307 0.3823 -0.1512 0.0223 -0.0893 61 LYS A CA 470 C C . LYS A 61 ? 0.3384 0.4940 0.3653 -0.1366 0.0220 -0.0774 61 LYS A C 471 O O . LYS A 61 ? 0.3141 0.4851 0.3463 -0.1210 0.0178 -0.0680 61 LYS A O 472 C CB . LYS A 61 ? 0.3611 0.5810 0.3916 -0.1633 0.0217 -0.0925 61 LYS A CB 473 C CG . LYS A 61 ? 0.3854 0.6362 0.4152 -0.1743 0.0197 -0.1024 61 LYS A CG 474 C CD . LYS A 61 ? 0.4484 0.7499 0.4844 -0.1865 0.0187 -0.1050 61 LYS A CD 475 C CE . LYS A 61 ? 0.5134 0.8286 0.5443 -0.2114 0.0213 -0.1222 61 LYS A CE 476 N NZ . LYS A 61 ? 0.5411 0.8830 0.5708 -0.2093 0.0167 -0.1261 61 LYS A NZ 477 N N . VAL A 62 ? 0.3416 0.4660 0.3637 -0.1423 0.0270 -0.0781 62 VAL A N 478 C CA . VAL A 62 ? 0.3467 0.4531 0.3688 -0.1306 0.0272 -0.0682 62 VAL A CA 479 C C . VAL A 62 ? 0.3452 0.4084 0.3605 -0.1245 0.0286 -0.0675 62 VAL A C 480 O O . VAL A 62 ? 0.3665 0.4074 0.3759 -0.1345 0.0330 -0.0746 62 VAL A O 481 C CB . VAL A 62 ? 0.3633 0.4709 0.3849 -0.1420 0.0323 -0.0680 62 VAL A CB 482 C CG1 . VAL A 62 ? 0.3713 0.4600 0.3914 -0.1296 0.0327 -0.0582 62 VAL A CG1 483 C CG2 . VAL A 62 ? 0.3704 0.5252 0.3996 -0.1496 0.0314 -0.0693 62 VAL A CG2 484 N N . VAL A 63 ? 0.3313 0.3835 0.3473 -0.1081 0.0253 -0.0590 63 VAL A N 485 C CA . VAL A 63 ? 0.3320 0.3492 0.3428 -0.1012 0.0258 -0.0574 63 VAL A CA 486 C C . VAL A 63 ? 0.3475 0.3386 0.3525 -0.1058 0.0310 -0.0552 63 VAL A C 487 O O . VAL A 63 ? 0.3541 0.3502 0.3598 -0.1034 0.0313 -0.0494 63 VAL A O 488 C CB . VAL A 63 ? 0.3106 0.3272 0.3240 -0.0841 0.0206 -0.0494 63 VAL A CB 489 C CG1 . VAL A 63 ? 0.3288 0.3126 0.3372 -0.0771 0.0210 -0.0466 63 VAL A CG1 490 C CG2 . VAL A 63 ? 0.2965 0.3353 0.3145 -0.0794 0.0165 -0.0503 63 VAL A CG2 491 N N . PRO A 64 ? 0.3741 0.3376 0.3728 -0.1124 0.0360 -0.0596 64 PRO A N 492 C CA . PRO A 64 ? 0.3885 0.3266 0.3813 -0.1154 0.0415 -0.0556 64 PRO A CA 493 C C . PRO A 64 ? 0.3843 0.3014 0.3743 -0.1000 0.0393 -0.0468 64 PRO A C 494 O O . PRO A 64 ? 0.3712 0.2872 0.3632 -0.0897 0.0349 -0.0462 64 PRO A O 495 C CB . PRO A 64 ? 0.4177 0.3333 0.4046 -0.1276 0.0485 -0.0639 64 PRO A CB 496 C CG . PRO A 64 ? 0.4084 0.3255 0.3967 -0.1219 0.0454 -0.0692 64 PRO A CG 497 C CD . PRO A 64 ? 0.3907 0.3435 0.3870 -0.1156 0.0375 -0.0676 64 PRO A CD 498 N N . LEU A 65 ? 0.3771 0.2799 0.3626 -0.0995 0.0424 -0.0400 65 LEU A N 499 C CA . LEU A 65 ? 0.3647 0.2502 0.3467 -0.0862 0.0406 -0.0314 65 LEU A CA 500 C C . LEU A 65 ? 0.3784 0.2338 0.3550 -0.0854 0.0455 -0.0318 65 LEU A C 501 O O . LEU A 65 ? 0.3745 0.2164 0.3475 -0.0970 0.0525 -0.0371 65 LEU A O 502 C CB . LEU A 65 ? 0.3631 0.2471 0.3413 -0.0862 0.0426 -0.0237 65 LEU A CB 503 C CG . LEU A 65 ? 0.3854 0.2968 0.3680 -0.0851 0.0391 -0.0225 65 LEU A CG 504 C CD1 . LEU A 65 ? 0.4299 0.3367 0.4070 -0.0850 0.0420 -0.0151 65 LEU A CD1 505 C CD2 . LEU A 65 ? 0.3187 0.2409 0.3055 -0.0721 0.0318 -0.0215 65 LEU A CD2 506 N N . SER A 66 ? 0.3610 0.2059 0.3367 -0.0720 0.0425 -0.0263 66 SER A N 507 C CA . SER A 66 ? 0.4054 0.2223 0.3760 -0.0675 0.0475 -0.0241 66 SER A CA 508 C C . SER A 66 ? 0.4172 0.2258 0.3881 -0.0725 0.0510 -0.0339 66 SER A C 509 O O . SER A 66 ? 0.4559 0.2379 0.4214 -0.0723 0.0581 -0.0340 66 SER A O 510 C CB . SER A 66 ? 0.4320 0.2263 0.3948 -0.0726 0.0555 -0.0184 66 SER A CB 511 O OG . SER A 66 ? 0.4627 0.2646 0.4239 -0.0677 0.0527 -0.0090 66 SER A OG 512 N N . HIS A 67 ? 0.4052 0.2362 0.3819 -0.0762 0.0467 -0.0418 67 HIS A N 513 C CA . HIS A 67 ? 0.4025 0.2298 0.3792 -0.0801 0.0492 -0.0518 67 HIS A CA 514 C C . HIS A 67 ? 0.3589 0.2049 0.3417 -0.0710 0.0420 -0.0527 67 HIS A C 515 O O . HIS A 67 ? 0.3381 0.2065 0.3262 -0.0664 0.0348 -0.0485 67 HIS A O 516 C CB . HIS A 67 ? 0.4141 0.2504 0.3900 -0.0979 0.0530 -0.0624 67 HIS A CB 517 C CG . HIS A 67 ? 0.4768 0.2898 0.4458 -0.1092 0.0621 -0.0630 67 HIS A CG 518 N ND1 . HIS A 67 ? 0.5042 0.3233 0.4729 -0.1151 0.0627 -0.0576 67 HIS A ND1 519 C CD2 . HIS A 67 ? 0.5496 0.3310 0.5112 -0.1153 0.0717 -0.0679 67 HIS A CD2 520 C CE1 . HIS A 67 ? 0.5552 0.3485 0.5169 -0.1253 0.0722 -0.0586 67 HIS A CE1 521 N NE2 . HIS A 67 ? 0.5758 0.3443 0.5328 -0.1256 0.0780 -0.0649 67 HIS A NE2 522 N N . ASN A 68 ? 0.3521 0.1873 0.3335 -0.0678 0.0445 -0.0577 68 ASN A N 523 C CA . ASN A 68 ? 0.3277 0.1779 0.3142 -0.0591 0.0390 -0.0584 68 ASN A CA 524 C C . ASN A 68 ? 0.3048 0.1856 0.2964 -0.0645 0.0336 -0.0622 68 ASN A C 525 O O . ASN A 68 ? 0.3080 0.1986 0.2987 -0.0766 0.0357 -0.0701 68 ASN A O 526 C CB . ASN A 68 ? 0.3614 0.1970 0.3448 -0.0583 0.0446 -0.0660 68 ASN A CB 527 C CG . ASN A 68 ? 0.3806 0.1896 0.3607 -0.0471 0.0491 -0.0599 68 ASN A CG 528 O OD1 . ASN A 68 ? 0.3795 0.1874 0.3611 -0.0377 0.0457 -0.0491 68 ASN A OD1 529 N ND2 . ASN A 68 ? 0.4288 0.2163 0.4037 -0.0478 0.0574 -0.0670 68 ASN A ND2 530 N N . LEU A 69 ? 0.2841 0.1814 0.2813 -0.0556 0.0266 -0.0560 69 LEU A N 531 C CA . LEU A 69 ? 0.2802 0.2050 0.2820 -0.0580 0.0221 -0.0581 69 LEU A CA 532 C C . LEU A 69 ? 0.2595 0.1927 0.2656 -0.0474 0.0172 -0.0537 69 LEU A C 533 O O . LEU A 69 ? 0.2442 0.1646 0.2504 -0.0389 0.0165 -0.0486 69 LEU A O 534 C CB . LEU A 69 ? 0.2908 0.2300 0.2949 -0.0606 0.0196 -0.0539 69 LEU A CB 535 C CG . LEU A 69 ? 0.2855 0.2167 0.2896 -0.0535 0.0176 -0.0451 69 LEU A CG 536 C CD1 . LEU A 69 ? 0.2912 0.2313 0.2995 -0.0433 0.0121 -0.0399 69 LEU A CD1 537 C CD2 . LEU A 69 ? 0.2653 0.2072 0.2699 -0.0583 0.0178 -0.0432 69 LEU A CD2 538 N N . ASN A 70 ? 0.2461 0.2020 0.2557 -0.0484 0.0142 -0.0551 70 ASN A N 539 C CA . ASN A 70 ? 0.2263 0.1915 0.2402 -0.0394 0.0097 -0.0493 70 ASN A CA 540 C C . ASN A 70 ? 0.2112 0.1894 0.2285 -0.0364 0.0059 -0.0427 70 ASN A C 541 O O . ASN A 70 ? 0.2133 0.2021 0.2309 -0.0410 0.0062 -0.0432 70 ASN A O 542 C CB . ASN A 70 ? 0.2309 0.2120 0.2457 -0.0404 0.0094 -0.0536 70 ASN A CB 543 C CG . ASN A 70 ? 0.2730 0.2414 0.2841 -0.0419 0.0140 -0.0612 70 ASN A CG 544 O OD1 . ASN A 70 ? 0.2663 0.2467 0.2760 -0.0457 0.0153 -0.0677 70 ASN A OD1 545 N ND2 . ASN A 70 ? 0.3428 0.2880 0.3519 -0.0377 0.0167 -0.0600 70 ASN A ND2 546 N N . ILE A 71 ? 0.1917 0.1691 0.2117 -0.0287 0.0029 -0.0365 71 ILE A N 547 C CA . ILE A 71 ? 0.1724 0.1583 0.1951 -0.0245 0.0003 -0.0303 71 ILE A CA 548 C C . ILE A 71 ? 0.1805 0.1778 0.2063 -0.0203 -0.0016 -0.0269 71 ILE A C 549 O O . ILE A 71 ? 0.1783 0.1710 0.2046 -0.0184 -0.0019 -0.0271 71 ILE A O 550 C CB . ILE A 71 ? 0.1828 0.1531 0.2044 -0.0202 -0.0009 -0.0261 71 ILE A CB 551 C CG1 . ILE A 71 ? 0.1773 0.1355 0.1948 -0.0238 0.0013 -0.0279 71 ILE A CG1 552 C CG2 . ILE A 71 ? 0.1312 0.1063 0.1544 -0.0159 -0.0025 -0.0210 71 ILE A CG2 553 C CD1 . ILE A 71 ? 0.2117 0.1564 0.2270 -0.0196 0.0000 -0.0239 71 ILE A CD1 554 N N . HIS A 72 ? 0.1689 0.1815 0.1968 -0.0180 -0.0024 -0.0227 72 HIS A N 555 C CA . HIS A 72 ? 0.1891 0.2088 0.2194 -0.0130 -0.0035 -0.0172 72 HIS A CA 556 C C . HIS A 72 ? 0.1759 0.1981 0.2078 -0.0072 -0.0036 -0.0100 72 HIS A C 557 O O . HIS A 72 ? 0.1958 0.2252 0.2278 -0.0069 -0.0029 -0.0097 72 HIS A O 558 C CB . HIS A 72 ? 0.1835 0.2224 0.2143 -0.0153 -0.0033 -0.0193 72 HIS A CB 559 C CG . HIS A 72 ? 0.1945 0.2563 0.2258 -0.0169 -0.0033 -0.0191 72 HIS A CG 560 N ND1 . HIS A 72 ? 0.1812 0.2512 0.2107 -0.0251 -0.0023 -0.0271 72 HIS A ND1 561 C CD2 . HIS A 72 ? 0.1927 0.2730 0.2262 -0.0116 -0.0039 -0.0116 72 HIS A CD2 562 C CE1 . HIS A 72 ? 0.2205 0.3164 0.2515 -0.0254 -0.0029 -0.0251 72 HIS A CE1 563 N NE2 . HIS A 72 ? 0.1922 0.2953 0.2259 -0.0162 -0.0039 -0.0151 72 HIS A NE2 564 N N . THR A 73 ? 0.2072 0.2236 0.2401 -0.0027 -0.0038 -0.0043 73 THR A N 565 C CA . THR A 73 ? 0.2149 0.2307 0.2486 0.0038 -0.0024 0.0030 73 THR A CA 566 C C . THR A 73 ? 0.2438 0.2826 0.2794 0.0079 -0.0017 0.0083 73 THR A C 567 O O . THR A 73 ? 0.2454 0.2993 0.2816 0.0064 -0.0024 0.0086 73 THR A O 568 C CB . THR A 73 ? 0.2134 0.2145 0.2471 0.0057 -0.0020 0.0071 73 THR A CB 569 O OG1 . THR A 73 ? 0.1872 0.1713 0.2191 0.0024 -0.0030 0.0025 73 THR A OG1 570 C CG2 . THR A 73 ? 0.2381 0.2349 0.2718 0.0130 0.0011 0.0155 73 THR A CG2 571 N N . CSX A 74 ? 0.2636 0.3060 0.2998 0.0137 0.0000 0.0125 74 CSX A N 572 C CA . CSX A 74 ? 0.2648 0.3308 0.3033 0.0202 0.0011 0.0196 74 CSX A CA 573 C CB . CSX A 74 ? 0.2940 0.3722 0.3338 0.0212 0.0017 0.0179 74 CSX A CB 574 S SG . CSX A 74 ? 0.3964 0.5112 0.4399 0.0279 0.0021 0.0255 74 CSX A SG 575 C C . CSX A 74 ? 0.2698 0.3254 0.3082 0.0299 0.0042 0.0300 74 CSX A C 576 O O . CSX A 74 ? 0.2588 0.2984 0.2962 0.0354 0.0071 0.0324 74 CSX A O 577 O OD . CSX A 74 ? 0.4411 0.5798 0.4850 0.0237 -0.0003 0.0251 74 CSX A OD 578 N N . SER A 75 ? 0.2560 0.3193 0.2948 0.0317 0.0042 0.0360 75 SER A N 579 C CA . SER A 75 ? 0.2742 0.3256 0.3124 0.0399 0.0081 0.0468 75 SER A CA 580 C C . SER A 75 ? 0.2821 0.3554 0.3211 0.0426 0.0078 0.0548 75 SER A C 581 O O . SER A 75 ? 0.2799 0.3632 0.3186 0.0352 0.0049 0.0498 75 SER A O 582 C CB . SER A 75 ? 0.2627 0.2848 0.2989 0.0349 0.0089 0.0439 75 SER A CB 583 O OG . SER A 75 ? 0.3211 0.3290 0.3560 0.0411 0.0136 0.0539 75 SER A OG 584 N N . ASP A 76 ? 0.2897 0.3694 0.3289 0.0539 0.0114 0.0676 76 ASP A N 585 C CA . ASP A 76 ? 0.2954 0.3951 0.3345 0.0580 0.0119 0.0778 76 ASP A CA 586 C C . ASP A 76 ? 0.2981 0.3760 0.3352 0.0562 0.0147 0.0828 76 ASP A C 587 O O . ASP A 76 ? 0.2754 0.3686 0.3118 0.0550 0.0141 0.0877 76 ASP A O 588 C CB . ASP A 76 ? 0.3164 0.4331 0.3566 0.0724 0.0151 0.0917 76 ASP A CB 589 C CG . ASP A 76 ? 0.3343 0.4845 0.3774 0.0735 0.0118 0.0881 76 ASP A CG 590 O OD1 . ASP A 76 ? 0.3730 0.5348 0.4165 0.0618 0.0072 0.0752 76 ASP A OD1 591 O OD2 . ASP A 76 ? 0.3756 0.5413 0.4206 0.0861 0.0144 0.0987 76 ASP A OD2 592 N N . LEU A 77 ? 0.2985 0.3425 0.3343 0.0555 0.0180 0.0817 77 LEU A N 593 C CA . LEU A 77 ? 0.3042 0.3262 0.3384 0.0500 0.0204 0.0835 77 LEU A CA 594 C C . LEU A 77 ? 0.2787 0.2987 0.3139 0.0373 0.0156 0.0702 77 LEU A C 595 O O . LEU A 77 ? 0.2589 0.2762 0.2945 0.0334 0.0125 0.0596 77 LEU A O 596 C CB . LEU A 77 ? 0.3224 0.3095 0.3542 0.0526 0.0262 0.0859 77 LEU A CB 597 C CG . LEU A 77 ? 0.3593 0.3387 0.3891 0.0662 0.0334 0.1006 77 LEU A CG 598 C CD1 . LEU A 77 ? 0.4129 0.3551 0.4393 0.0681 0.0396 0.0990 77 LEU A CD1 599 C CD2 . LEU A 77 ? 0.3450 0.3291 0.3739 0.0681 0.0365 0.1138 77 LEU A CD2 600 N N . TRP A 78 ? 0.2655 0.2859 0.3009 0.0317 0.0156 0.0716 78 TRP A N 601 C CA . TRP A 78 ? 0.2536 0.2719 0.2904 0.0214 0.0118 0.0602 78 TRP A CA 602 C C . TRP A 78 ? 0.2560 0.2694 0.2933 0.0165 0.0139 0.0647 78 TRP A C 603 O O . TRP A 78 ? 0.2605 0.2891 0.2975 0.0189 0.0155 0.0730 78 TRP A O 604 C CB . TRP A 78 ? 0.2307 0.2737 0.2683 0.0190 0.0074 0.0525 78 TRP A CB 605 C CG . TRP A 78 ? 0.2427 0.2794 0.2814 0.0113 0.0043 0.0408 78 TRP A CG 606 C CD1 . TRP A 78 ? 0.2287 0.2738 0.2685 0.0062 0.0030 0.0363 78 TRP A CD1 607 C CD2 . TRP A 78 ? 0.2483 0.2686 0.2869 0.0087 0.0028 0.0329 78 TRP A CD2 608 N NE1 . TRP A 78 ? 0.1991 0.2335 0.2399 0.0017 0.0009 0.0269 78 TRP A NE1 609 C CE2 . TRP A 78 ? 0.2150 0.2346 0.2548 0.0028 0.0005 0.0249 78 TRP A CE2 610 C CE3 . TRP A 78 ? 0.2395 0.2466 0.2768 0.0116 0.0035 0.0323 78 TRP A CE3 611 C CZ2 . TRP A 78 ? 0.2256 0.2322 0.2652 -0.0002 -0.0015 0.0173 78 TRP A CZ2 612 C CZ3 . TRP A 78 ? 0.1995 0.1939 0.2362 0.0076 0.0015 0.0238 78 TRP A CZ3 613 C CH2 . TRP A 78 ? 0.2376 0.2325 0.2754 0.0018 -0.0011 0.0169 78 TRP A CH2 614 N N . PHE A 79 ? 0.2681 0.2624 0.3062 0.0093 0.0140 0.0596 79 PHE A N 615 C CA . PHE A 79 ? 0.2850 0.2721 0.3238 0.0036 0.0170 0.0645 79 PHE A CA 616 C C . PHE A 79 ? 0.2758 0.2752 0.3180 -0.0042 0.0135 0.0572 79 PHE A C 617 O O . PHE A 79 ? 0.2888 0.2854 0.3328 -0.0105 0.0155 0.0598 79 PHE A O 618 C CB . PHE A 79 ? 0.3121 0.2694 0.3489 0.0002 0.0210 0.0653 79 PHE A CB 619 C CG . PHE A 79 ? 0.3316 0.2739 0.3646 0.0094 0.0265 0.0742 79 PHE A CG 620 C CD1 . PHE A 79 ? 0.3453 0.2826 0.3766 0.0132 0.0327 0.0876 79 PHE A CD1 621 C CD2 . PHE A 79 ? 0.3339 0.2680 0.3651 0.0150 0.0261 0.0698 79 PHE A CD2 622 C CE1 . PHE A 79 ? 0.3578 0.2802 0.3854 0.0239 0.0388 0.0973 79 PHE A CE1 623 C CE2 . PHE A 79 ? 0.3204 0.2421 0.3485 0.0254 0.0319 0.0784 79 PHE A CE2 624 C CZ . PHE A 79 ? 0.3456 0.2607 0.3720 0.0305 0.0385 0.0924 79 PHE A CZ 625 N N . CYS A 80 ? 0.2606 0.2733 0.3040 -0.0038 0.0091 0.0482 80 CYS A N 626 C CA . CYS A 80 ? 0.2566 0.2815 0.3032 -0.0086 0.0066 0.0415 80 CYS A CA 627 C C . CYS A 80 ? 0.2279 0.2767 0.2738 -0.0056 0.0064 0.0418 80 CYS A C 628 O O . CYS A 80 ? 0.2275 0.2845 0.2707 -0.0009 0.0060 0.0428 80 CYS A O 629 C CB . CYS A 80 ? 0.2449 0.2644 0.2919 -0.0096 0.0028 0.0306 80 CYS A CB 630 S SG . CYS A 80 ? 0.3673 0.3632 0.4143 -0.0144 0.0026 0.0287 80 CYS A SG 631 N N . PRO A 81 ? 0.2149 0.2769 0.2631 -0.0086 0.0067 0.0403 81 PRO A N 632 C CA . PRO A 81 ? 0.1977 0.2822 0.2441 -0.0063 0.0066 0.0374 81 PRO A CA 633 C C . PRO A 81 ? 0.1861 0.2711 0.2314 -0.0056 0.0040 0.0252 81 PRO A C 634 O O . PRO A 81 ? 0.1759 0.2756 0.2180 -0.0043 0.0039 0.0212 81 PRO A O 635 C CB . PRO A 81 ? 0.2082 0.3040 0.2576 -0.0095 0.0083 0.0377 81 PRO A CB 636 C CG . PRO A 81 ? 0.2347 0.3158 0.2882 -0.0145 0.0089 0.0410 81 PRO A CG 637 C CD . PRO A 81 ? 0.1994 0.2584 0.2517 -0.0144 0.0077 0.0412 81 PRO A CD 638 N N . GLU A 82 ? 0.1776 0.2467 0.2249 -0.0070 0.0022 0.0196 82 GLU A N 639 C CA . GLU A 82 ? 0.1745 0.2403 0.2204 -0.0064 0.0006 0.0092 82 GLU A CA 640 C C . GLU A 82 ? 0.1778 0.2393 0.2205 -0.0052 -0.0005 0.0081 82 GLU A C 641 O O . GLU A 82 ? 0.1948 0.2540 0.2368 -0.0034 -0.0002 0.0154 82 GLU A O 642 C CB . GLU A 82 ? 0.1700 0.2226 0.2189 -0.0074 -0.0007 0.0053 82 GLU A CB 643 C CG . GLU A 82 ? 0.1880 0.2493 0.2413 -0.0083 0.0003 0.0059 82 GLU A CG 644 C CD . GLU A 82 ? 0.2212 0.2801 0.2779 -0.0122 0.0004 0.0137 82 GLU A CD 645 O OE1 . GLU A 82 ? 0.2165 0.2672 0.2712 -0.0134 0.0009 0.0194 82 GLU A OE1 646 O OE2 . GLU A 82 ? 0.2777 0.3432 0.3390 -0.0143 0.0006 0.0140 82 GLU A OE2 647 N N . SER A 83 ? 0.1796 0.2396 0.2201 -0.0059 -0.0011 -0.0008 83 SER A N 648 C CA . SER A 83 ? 0.1688 0.2284 0.2067 -0.0060 -0.0019 -0.0026 83 SER A CA 649 C C . SER A 83 ? 0.1595 0.2019 0.1980 -0.0050 -0.0031 -0.0001 83 SER A C 650 O O . SER A 83 ? 0.1596 0.1883 0.1999 -0.0051 -0.0037 0.0015 83 SER A O 651 C CB . SER A 83 ? 0.1726 0.2319 0.2078 -0.0089 -0.0013 -0.0135 83 SER A CB 652 O OG . SER A 83 ? 0.2103 0.2506 0.2463 -0.0089 -0.0017 -0.0167 83 SER A OG 653 N N . LYS A 84 ? 0.1501 0.1957 0.1869 -0.0047 -0.0034 -0.0010 84 LYS A N 654 C CA . LYS A 84 ? 0.1700 0.2021 0.2065 -0.0037 -0.0040 -0.0003 84 LYS A CA 655 C C . LYS A 84 ? 0.1707 0.1922 0.2057 -0.0068 -0.0046 -0.0081 84 LYS A C 656 O O . LYS A 84 ? 0.1718 0.1838 0.2058 -0.0064 -0.0049 -0.0081 84 LYS A O 657 C CB . LYS A 84 ? 0.1770 0.2219 0.2130 -0.0008 -0.0036 0.0039 84 LYS A CB 658 C CG . LYS A 84 ? 0.2140 0.2673 0.2510 0.0045 -0.0023 0.0145 84 LYS A CG 659 C CD . LYS A 84 ? 0.2173 0.2860 0.2543 0.0093 -0.0017 0.0197 84 LYS A CD 660 C CE . LYS A 84 ? 0.2468 0.3256 0.2842 0.0154 0.0001 0.0313 84 LYS A CE 661 N NZ . LYS A 84 ? 0.2464 0.3520 0.2838 0.0189 -0.0004 0.0343 84 LYS A NZ 662 N N . ILE A 85 ? 0.1747 0.1976 0.2087 -0.0096 -0.0039 -0.0147 85 ILE A N 663 C CA . ILE A 85 ? 0.1918 0.2044 0.2235 -0.0124 -0.0031 -0.0216 85 ILE A CA 664 C C . ILE A 85 ? 0.1816 0.1773 0.2139 -0.0104 -0.0039 -0.0207 85 ILE A C 665 O O . ILE A 85 ? 0.1792 0.1747 0.2138 -0.0084 -0.0043 -0.0188 85 ILE A O 666 C CB . ILE A 85 ? 0.1926 0.2115 0.2221 -0.0157 -0.0009 -0.0293 85 ILE A CB 667 C CG1 . ILE A 85 ? 0.1847 0.2252 0.2132 -0.0184 -0.0009 -0.0300 85 ILE A CG1 668 C CG2 . ILE A 85 ? 0.2175 0.2214 0.2436 -0.0190 0.0015 -0.0367 85 ILE A CG2 669 C CD1 . ILE A 85 ? 0.2357 0.2868 0.2617 -0.0215 0.0013 -0.0371 85 ILE A CD1 670 N N . TRP A 86 ? 0.1653 0.1497 0.1954 -0.0113 -0.0039 -0.0219 86 TRP A N 671 C CA . TRP A 86 ? 0.1684 0.1398 0.1984 -0.0092 -0.0050 -0.0204 86 TRP A CA 672 C C . TRP A 86 ? 0.1959 0.1612 0.2253 -0.0078 -0.0034 -0.0235 86 TRP A C 673 O O . TRP A 86 ? 0.1919 0.1552 0.2188 -0.0098 -0.0004 -0.0287 86 TRP A O 674 C CB . TRP A 86 ? 0.1712 0.1338 0.1983 -0.0101 -0.0053 -0.0200 86 TRP A CB 675 C CG . TRP A 86 ? 0.1551 0.1205 0.1828 -0.0092 -0.0065 -0.0160 86 TRP A CG 676 C CD1 . TRP A 86 ? 0.2149 0.1901 0.2447 -0.0081 -0.0063 -0.0131 86 TRP A CD1 677 C CD2 . TRP A 86 ? 0.2199 0.1779 0.2450 -0.0088 -0.0069 -0.0147 86 TRP A CD2 678 N NE1 . TRP A 86 ? 0.2504 0.2222 0.2796 -0.0061 -0.0062 -0.0097 86 TRP A NE1 679 C CE2 . TRP A 86 ? 0.2142 0.1758 0.2404 -0.0068 -0.0066 -0.0114 86 TRP A CE2 680 C CE3 . TRP A 86 ? 0.2157 0.1644 0.2374 -0.0093 -0.0072 -0.0155 86 TRP A CE3 681 C CZ2 . TRP A 86 ? 0.2287 0.1835 0.2524 -0.0053 -0.0060 -0.0103 86 TRP A CZ2 682 C CZ3 . TRP A 86 ? 0.2067 0.1513 0.2257 -0.0086 -0.0073 -0.0144 86 TRP A CZ3 683 C CH2 . TRP A 86 ? 0.2590 0.2062 0.2790 -0.0066 -0.0065 -0.0125 86 TRP A CH2 684 N N . THR A 87 ? 0.2000 0.1622 0.2312 -0.0044 -0.0050 -0.0205 87 THR A N 685 C CA . THR A 87 ? 0.1898 0.1466 0.2208 -0.0006 -0.0030 -0.0219 87 THR A CA 686 C C . THR A 87 ? 0.1913 0.1466 0.2236 0.0025 -0.0060 -0.0170 87 THR A C 687 O O . THR A 87 ? 0.1784 0.1345 0.2104 0.0001 -0.0089 -0.0145 87 THR A O 688 C CB . THR A 87 ? 0.2116 0.1784 0.2456 0.0012 -0.0012 -0.0240 87 THR A CB 689 O OG1 . THR A 87 ? 0.2374 0.1985 0.2713 0.0066 0.0018 -0.0254 87 THR A OG1 690 C CG2 . THR A 87 ? 0.1382 0.1176 0.1773 0.0013 -0.0042 -0.0193 87 THR A CG2 691 N N . VAL A 88 ? 0.1747 0.1294 0.2083 0.0081 -0.0049 -0.0158 88 VAL A N 692 C CA . VAL A 88 ? 0.2060 0.1646 0.2413 0.0118 -0.0079 -0.0108 88 VAL A CA 693 C C . VAL A 88 ? 0.2081 0.1798 0.2494 0.0163 -0.0077 -0.0096 88 VAL A C 694 O O . VAL A 88 ? 0.2129 0.1835 0.2548 0.0200 -0.0036 -0.0123 88 VAL A O 695 C CB . VAL A 88 ? 0.2029 0.1485 0.2333 0.0160 -0.0062 -0.0087 88 VAL A CB 696 C CG1 . VAL A 88 ? 0.2154 0.1687 0.2479 0.0228 -0.0082 -0.0029 88 VAL A CG1 697 C CG2 . VAL A 88 ? 0.2008 0.1392 0.2262 0.0105 -0.0077 -0.0088 88 VAL A CG2 698 N N . LYS A 89 ? 0.2110 0.1960 0.2565 0.0151 -0.0116 -0.0062 89 LYS A N 699 C CA . LYS A 89 ? 0.2258 0.2275 0.2781 0.0186 -0.0117 -0.0044 89 LYS A CA 700 C C . LYS A 89 ? 0.2387 0.2509 0.2930 0.0211 -0.0155 0.0004 89 LYS A C 701 O O . LYS A 89 ? 0.2315 0.2400 0.2822 0.0168 -0.0187 0.0012 89 LYS A O 702 C CB . LYS A 89 ? 0.2191 0.2313 0.2751 0.0112 -0.0130 -0.0049 89 LYS A CB 703 C CG . LYS A 89 ? 0.2549 0.2643 0.3099 0.0100 -0.0094 -0.0083 89 LYS A CG 704 C CD . LYS A 89 ? 0.3156 0.3358 0.3740 0.0038 -0.0101 -0.0067 89 LYS A CD 705 C CE . LYS A 89 ? 0.3173 0.3377 0.3737 0.0029 -0.0070 -0.0091 89 LYS A CE 706 N NZ . LYS A 89 ? 0.3354 0.3651 0.3944 -0.0025 -0.0073 -0.0055 89 LYS A NZ 707 N N . SER A 90 ? 0.2624 0.2898 0.3223 0.0282 -0.0150 0.0035 90 SER A N 708 C CA . SER A 90 ? 0.2769 0.3231 0.3406 0.0294 -0.0194 0.0083 90 SER A CA 709 C C . SER A 90 ? 0.2765 0.3406 0.3456 0.0193 -0.0228 0.0075 90 SER A C 710 O O . SER A 90 ? 0.2886 0.3586 0.3621 0.0170 -0.0207 0.0060 90 SER A O 711 C CB . SER A 90 ? 0.2994 0.3582 0.3680 0.0425 -0.0171 0.0129 90 SER A CB 712 O OG . SER A 90 ? 0.3678 0.4071 0.4307 0.0520 -0.0127 0.0143 90 SER A OG 713 N N . SER A 91 ? 0.2562 0.3296 0.3248 0.0128 -0.0277 0.0084 91 SER A N 714 C CA . SER A 91 ? 0.2545 0.3436 0.3276 0.0011 -0.0305 0.0071 91 SER A CA 715 C C . SER A 91 ? 0.2623 0.3753 0.3380 -0.0007 -0.0356 0.0095 91 SER A C 716 O O . SER A 91 ? 0.2505 0.3597 0.3201 -0.0036 -0.0387 0.0088 91 SER A O 717 C CB . SER A 91 ? 0.2429 0.3136 0.3102 -0.0098 -0.0305 0.0027 91 SER A CB 718 O OG . SER A 91 ? 0.2415 0.3229 0.3115 -0.0221 -0.0325 0.0011 91 SER A OG 719 N N . SER A 92 ? 0.2829 0.4233 0.3677 0.0010 -0.0364 0.0125 92 SER A N 720 C CA . SER A 92 ? 0.3017 0.4709 0.3898 -0.0010 -0.0416 0.0151 92 SER A CA 721 C C . SER A 92 ? 0.3069 0.4779 0.3919 -0.0194 -0.0452 0.0094 92 SER A C 722 O O . SER A 92 ? 0.3303 0.5141 0.4124 -0.0234 -0.0498 0.0089 92 SER A O 723 C CB . SER A 92 ? 0.3065 0.5082 0.4059 0.0051 -0.0414 0.0198 92 SER A CB 724 O OG . SER A 92 ? 0.3260 0.5328 0.4310 -0.0049 -0.0394 0.0169 92 SER A OG 725 N N . ILE A 93 ? 0.3029 0.4591 0.3873 -0.0302 -0.0425 0.0050 93 ILE A N 726 C CA . ILE A 93 ? 0.3268 0.4761 0.4062 -0.0471 -0.0441 -0.0011 93 ILE A CA 727 C C . ILE A 93 ? 0.3301 0.4531 0.3980 -0.0478 -0.0443 -0.0049 93 ILE A C 728 O O . ILE A 93 ? 0.3463 0.4589 0.4085 -0.0606 -0.0445 -0.0110 93 ILE A O 729 C CB . ILE A 93 ? 0.3283 0.4654 0.4096 -0.0575 -0.0398 -0.0034 93 ILE A CB 730 C CG1 . ILE A 93 ? 0.3417 0.4556 0.4210 -0.0480 -0.0351 -0.0014 93 ILE A CG1 731 C CG2 . ILE A 93 ? 0.3454 0.5127 0.4373 -0.0645 -0.0401 -0.0015 93 ILE A CG2 732 C CD1 . ILE A 93 ? 0.4035 0.4951 0.4795 -0.0571 -0.0309 -0.0034 93 ILE A CD1 733 N N . HIS A 94 ? 0.2922 0.4028 0.3564 -0.0344 -0.0434 -0.0018 94 HIS A N 734 C CA . HIS A 94 ? 0.2840 0.3748 0.3380 -0.0339 -0.0438 -0.0043 94 HIS A CA 735 C C . HIS A 94 ? 0.2803 0.3815 0.3322 -0.0230 -0.0464 0.0006 94 HIS A C 736 O O . HIS A 94 ? 0.2844 0.3699 0.3282 -0.0195 -0.0459 0.0004 94 HIS A O 737 C CB . HIS A 94 ? 0.2712 0.3325 0.3213 -0.0303 -0.0390 -0.0054 94 HIS A CB 738 C CG . HIS A 94 ? 0.2398 0.2888 0.2899 -0.0404 -0.0361 -0.0092 94 HIS A CG 739 N ND1 . HIS A 94 ? 0.2488 0.3024 0.3058 -0.0416 -0.0337 -0.0073 94 HIS A ND1 740 C CD2 . HIS A 94 ? 0.2839 0.3164 0.3276 -0.0494 -0.0348 -0.0142 94 HIS A CD2 741 C CE1 . HIS A 94 ? 0.2843 0.3243 0.3392 -0.0509 -0.0310 -0.0099 94 HIS A CE1 742 N NE2 . HIS A 94 ? 0.2915 0.3173 0.3383 -0.0554 -0.0313 -0.0143 94 HIS A NE2 743 N N . ARG A 95 ? 0.2755 0.4050 0.3347 -0.0177 -0.0489 0.0058 95 ARG A N 744 C CA . ARG A 95 ? 0.2747 0.4173 0.3337 -0.0041 -0.0506 0.0133 95 ARG A CA 745 C C . ARG A 95 ? 0.2712 0.3884 0.3250 0.0080 -0.0464 0.0167 95 ARG A C 746 O O . ARG A 95 ? 0.2896 0.4030 0.3365 0.0129 -0.0474 0.0200 95 ARG A O 747 C CB . ARG A 95 ? 0.2913 0.4518 0.3448 -0.0087 -0.0561 0.0133 95 ARG A CB 748 C CG . ARG A 95 ? 0.2697 0.4681 0.3304 -0.0134 -0.0608 0.0145 95 ARG A CG 749 C CD . ARG A 95 ? 0.2236 0.4437 0.2784 -0.0141 -0.0664 0.0165 95 ARG A CD 750 N NE . ARG A 95 ? 0.2215 0.4685 0.2818 0.0020 -0.0681 0.0279 95 ARG A NE 751 C CZ . ARG A 95 ? 0.2066 0.4800 0.2635 0.0053 -0.0731 0.0330 95 ARG A CZ 752 N NH1 . ARG A 95 ? 0.2098 0.4847 0.2568 -0.0073 -0.0768 0.0264 95 ARG A NH1 753 N NH2 . ARG A 95 ? 0.1500 0.4484 0.2127 0.0220 -0.0739 0.0450 95 ARG A NH2 754 N N . GLY A 96 ? 0.2551 0.3550 0.3116 0.0118 -0.0414 0.0157 96 GLY A N 755 C CA . GLY A 96 ? 0.2444 0.3233 0.2968 0.0235 -0.0368 0.0190 96 GLY A CA 756 C C . GLY A 96 ? 0.2228 0.2752 0.2724 0.0197 -0.0325 0.0135 96 GLY A C 757 O O . GLY A 96 ? 0.2017 0.2544 0.2547 0.0120 -0.0321 0.0092 96 GLY A O 758 N N . LEU A 97 ? 0.2208 0.2523 0.2643 0.0251 -0.0290 0.0144 97 LEU A N 759 C CA . LEU A 97 ? 0.2251 0.2346 0.2659 0.0221 -0.0248 0.0095 97 LEU A CA 760 C C . LEU A 97 ? 0.2215 0.2238 0.2587 0.0111 -0.0264 0.0044 97 LEU A C 761 O O . LEU A 97 ? 0.2242 0.2282 0.2568 0.0069 -0.0295 0.0042 97 LEU A O 762 C CB . LEU A 97 ? 0.2255 0.2157 0.2605 0.0292 -0.0204 0.0116 97 LEU A CB 763 C CG . LEU A 97 ? 0.2773 0.2694 0.3148 0.0417 -0.0169 0.0168 97 LEU A CG 764 C CD1 . LEU A 97 ? 0.2564 0.2270 0.2865 0.0465 -0.0124 0.0193 97 LEU A CD1 765 C CD2 . LEU A 97 ? 0.3089 0.3019 0.3521 0.0439 -0.0132 0.0131 97 LEU A CD2 766 N N . VAL A 98 ? 0.2121 0.2068 0.2509 0.0071 -0.0241 0.0005 98 VAL A N 767 C CA . VAL A 98 ? 0.1882 0.1743 0.2239 -0.0011 -0.0243 -0.0033 98 VAL A CA 768 C C . VAL A 98 ? 0.1963 0.1697 0.2307 0.0001 -0.0203 -0.0053 98 VAL A C 769 O O . VAL A 98 ? 0.1822 0.1573 0.2198 0.0040 -0.0178 -0.0054 98 VAL A O 770 C CB . VAL A 98 ? 0.1994 0.1952 0.2396 -0.0085 -0.0259 -0.0046 98 VAL A CB 771 C CG1 . VAL A 98 ? 0.2039 0.2151 0.2450 -0.0124 -0.0301 -0.0040 98 VAL A CG1 772 C CG2 . VAL A 98 ? 0.2002 0.2038 0.2470 -0.0063 -0.0238 -0.0036 98 VAL A CG2 773 N N . VAL A 99 ? 0.1618 0.1249 0.1917 -0.0034 -0.0195 -0.0074 99 VAL A N 774 C CA . VAL A 99 ? 0.1515 0.1085 0.1813 -0.0041 -0.0165 -0.0094 99 VAL A CA 775 C C . VAL A 99 ? 0.1524 0.1153 0.1863 -0.0070 -0.0162 -0.0093 99 VAL A C 776 O O . VAL A 99 ? 0.1726 0.1369 0.2071 -0.0111 -0.0177 -0.0087 99 VAL A O 777 C CB . VAL A 99 ? 0.1471 0.0948 0.1716 -0.0058 -0.0155 -0.0107 99 VAL A CB 778 C CG1 . VAL A 99 ? 0.1408 0.0878 0.1662 -0.0065 -0.0127 -0.0123 99 VAL A CG1 779 C CG2 . VAL A 99 ? 0.1938 0.1354 0.2136 -0.0034 -0.0150 -0.0098 99 VAL A CG2 780 N N . THR A 100 ? 0.1525 0.1185 0.1887 -0.0056 -0.0139 -0.0099 100 THR A N 781 C CA . THR A 100 ? 0.1807 0.1529 0.2200 -0.0080 -0.0132 -0.0084 100 THR A CA 782 C C . THR A 100 ? 0.1624 0.1362 0.2008 -0.0072 -0.0108 -0.0093 100 THR A C 783 O O . THR A 100 ? 0.2072 0.1785 0.2433 -0.0059 -0.0095 -0.0124 100 THR A O 784 C CB . THR A 100 ? 0.1687 0.1530 0.2134 -0.0080 -0.0134 -0.0068 100 THR A CB 785 O OG1 . THR A 100 ? 0.2396 0.2283 0.2854 -0.0037 -0.0115 -0.0089 100 THR A OG1 786 C CG2 . THR A 100 ? 0.1871 0.1760 0.2339 -0.0090 -0.0161 -0.0059 100 THR A CG2 787 N N . THR A 101 ? 0.1915 0.1704 0.2315 -0.0083 -0.0098 -0.0064 101 THR A N 788 C CA . THR A 101 ? 0.1765 0.1635 0.2161 -0.0073 -0.0080 -0.0066 101 THR A CA 789 C C . THR A 101 ? 0.1681 0.1660 0.2105 -0.0067 -0.0071 -0.0078 101 THR A C 790 O O . THR A 101 ? 0.1589 0.1572 0.2036 -0.0060 -0.0077 -0.0083 101 THR A O 791 C CB . THR A 101 ? 0.1825 0.1710 0.2218 -0.0069 -0.0069 -0.0014 101 THR A CB 792 O OG1 . THR A 101 ? 0.1923 0.1824 0.2342 -0.0083 -0.0064 0.0033 101 THR A OG1 793 C CG2 . THR A 101 ? 0.2008 0.1776 0.2373 -0.0064 -0.0071 -0.0013 101 THR A CG2 794 N N . GLY A 102 ? 0.1538 0.1626 0.1956 -0.0065 -0.0054 -0.0084 102 GLY A N 795 C CA . GLY A 102 ? 0.1683 0.1886 0.2120 -0.0058 -0.0039 -0.0096 102 GLY A CA 796 C C . GLY A 102 ? 0.1942 0.2126 0.2359 -0.0046 -0.0021 -0.0174 102 GLY A C 797 O O . GLY A 102 ? 0.2020 0.2269 0.2450 -0.0028 -0.0002 -0.0197 102 GLY A O 798 N N . GLY A 103 ? 0.1926 0.2016 0.2308 -0.0057 -0.0018 -0.0214 103 GLY A N 799 C CA . GLY A 103 ? 0.2140 0.2166 0.2490 -0.0055 0.0012 -0.0291 103 GLY A CA 800 C C . GLY A 103 ? 0.2426 0.2566 0.2744 -0.0089 0.0036 -0.0350 103 GLY A C 801 O O . GLY A 103 ? 0.2202 0.2500 0.2528 -0.0099 0.0026 -0.0319 103 GLY A O 802 N N . THR A 104 ? 0.2739 0.2800 0.3015 -0.0109 0.0072 -0.0435 104 THR A N 803 C CA . THR A 104 ? 0.3072 0.3243 0.3305 -0.0160 0.0099 -0.0516 104 THR A CA 804 C C . THR A 104 ? 0.3123 0.3184 0.3310 -0.0222 0.0118 -0.0582 104 THR A C 805 O O . THR A 104 ? 0.3385 0.3243 0.3560 -0.0209 0.0139 -0.0593 104 THR A O 806 C CB . THR A 104 ? 0.3166 0.3334 0.3381 -0.0133 0.0145 -0.0582 104 THR A CB 807 O OG1 . THR A 104 ? 0.3504 0.3795 0.3768 -0.0082 0.0130 -0.0517 104 THR A OG1 808 C CG2 . THR A 104 ? 0.3529 0.3804 0.3686 -0.0196 0.0178 -0.0685 104 THR A CG2 809 N N . PHE A 105 ? 0.3060 0.3271 0.3223 -0.0293 0.0113 -0.0619 105 PHE A N 810 C CA . PHE A 105 ? 0.2891 0.3032 0.3012 -0.0375 0.0137 -0.0693 105 PHE A CA 811 C C . PHE A 105 ? 0.3130 0.3057 0.3196 -0.0400 0.0202 -0.0795 105 PHE A C 812 O O . PHE A 105 ? 0.3014 0.2956 0.3055 -0.0390 0.0237 -0.0859 105 PHE A O 813 C CB . PHE A 105 ? 0.2912 0.3310 0.3015 -0.0453 0.0125 -0.0734 105 PHE A CB 814 C CG . PHE A 105 ? 0.2759 0.3313 0.2904 -0.0441 0.0078 -0.0643 105 PHE A CG 815 C CD1 . PHE A 105 ? 0.2917 0.3342 0.3081 -0.0433 0.0068 -0.0599 105 PHE A CD1 816 C CD2 . PHE A 105 ? 0.2616 0.3455 0.2774 -0.0435 0.0051 -0.0604 105 PHE A CD2 817 C CE1 . PHE A 105 ? 0.2955 0.3518 0.3154 -0.0411 0.0035 -0.0521 105 PHE A CE1 818 C CE2 . PHE A 105 ? 0.2616 0.3599 0.2811 -0.0408 0.0018 -0.0516 105 PHE A CE2 819 C CZ . PHE A 105 ? 0.2570 0.3408 0.2786 -0.0395 0.0012 -0.0479 105 PHE A CZ 820 N N . ARG A 106 ? 0.3163 0.2882 0.3209 -0.0424 0.0225 -0.0802 106 ARG A N 821 C CA . ARG A 106 ? 0.3532 0.3012 0.3516 -0.0460 0.0299 -0.0894 106 ARG A CA 822 C C . ARG A 106 ? 0.3674 0.2989 0.3657 -0.0354 0.0337 -0.0885 106 ARG A C 823 O O . ARG A 106 ? 0.4046 0.3164 0.3973 -0.0363 0.0411 -0.0966 106 ARG A O 824 C CB . ARG A 106 ? 0.3667 0.3242 0.3592 -0.0585 0.0337 -0.1030 106 ARG A CB 825 C CG . ARG A 106 ? 0.3717 0.3495 0.3650 -0.0690 0.0301 -0.1035 106 ARG A CG 826 C CD . ARG A 106 ? 0.4275 0.4181 0.4147 -0.0830 0.0335 -0.1177 106 ARG A CD 827 N NE . ARG A 106 ? 0.5167 0.4786 0.4966 -0.0919 0.0419 -0.1285 106 ARG A NE 828 C CZ . ARG A 106 ? 0.5530 0.5030 0.5313 -0.1009 0.0442 -0.1296 106 ARG A CZ 829 N NH1 . ARG A 106 ? 0.5215 0.4872 0.5053 -0.1017 0.0386 -0.1209 106 ARG A NH1 830 N NH2 . ARG A 106 ? 0.5781 0.4989 0.5489 -0.1091 0.0531 -0.1394 106 ARG A NH2 831 N N . SER A 107 ? 0.3565 0.2965 0.3611 -0.0255 0.0291 -0.0789 107 SER A N 832 C CA . SER A 107 ? 0.3670 0.2964 0.3728 -0.0148 0.0322 -0.0771 107 SER A CA 833 C C . SER A 107 ? 0.3726 0.2785 0.3780 -0.0087 0.0341 -0.0713 107 SER A C 834 O O . SER A 107 ? 0.3719 0.2726 0.3773 -0.0118 0.0315 -0.0666 107 SER A O 835 C CB . SER A 107 ? 0.3409 0.2904 0.3539 -0.0078 0.0269 -0.0692 107 SER A CB 836 O OG . SER A 107 ? 0.3539 0.3079 0.3718 -0.0061 0.0205 -0.0588 107 SER A OG 837 N N . LEU A 108 ? 0.3799 0.2741 0.3854 0.0013 0.0388 -0.0707 108 LEU A N 838 C CA . LEU A 108 ? 0.3919 0.2661 0.3970 0.0100 0.0411 -0.0634 108 LEU A CA 839 C C . LEU A 108 ? 0.3709 0.2526 0.3807 0.0122 0.0335 -0.0520 108 LEU A C 840 O O . LEU A 108 ? 0.3732 0.2399 0.3802 0.0126 0.0343 -0.0475 108 LEU A O 841 C CB . LEU A 108 ? 0.4095 0.2799 0.4164 0.0232 0.0456 -0.0620 108 LEU A CB 842 C CG . LEU A 108 ? 0.4630 0.3133 0.4629 0.0242 0.0564 -0.0730 108 LEU A CG 843 C CD1 . LEU A 108 ? 0.4964 0.3448 0.4996 0.0408 0.0605 -0.0684 108 LEU A CD1 844 C CD2 . LEU A 108 ? 0.4937 0.3127 0.4848 0.0181 0.0635 -0.0773 108 LEU A CD2 845 N N . GLY A 109 ? 0.3337 0.2384 0.3500 0.0130 0.0266 -0.0476 109 GLY A N 846 C CA . GLY A 109 ? 0.3170 0.2291 0.3373 0.0148 0.0200 -0.0382 109 GLY A CA 847 C C . GLY A 109 ? 0.2974 0.2153 0.3172 0.0060 0.0153 -0.0375 109 GLY A C 848 O O . GLY A 109 ? 0.2823 0.2050 0.3044 0.0069 0.0104 -0.0310 109 GLY A O 849 N N . SER A 110 ? 0.2958 0.2140 0.3123 -0.0024 0.0173 -0.0445 110 SER A N 850 C CA . SER A 110 ? 0.2781 0.2074 0.2952 -0.0096 0.0132 -0.0439 110 SER A CA 851 C C . SER A 110 ? 0.2847 0.2027 0.2979 -0.0146 0.0142 -0.0436 110 SER A C 852 O O . SER A 110 ? 0.2703 0.1985 0.2842 -0.0198 0.0115 -0.0432 110 SER A O 853 C CB . SER A 110 ? 0.2803 0.2220 0.2961 -0.0165 0.0146 -0.0514 110 SER A CB 854 O OG . SER A 110 ? 0.3295 0.2583 0.3392 -0.0230 0.0206 -0.0602 110 SER A OG 855 N N . TRP A 111 ? 0.2820 0.1800 0.2910 -0.0132 0.0188 -0.0439 111 TRP A N 856 C CA . TRP A 111 ? 0.2942 0.1800 0.2985 -0.0195 0.0214 -0.0443 111 TRP A CA 857 C C . TRP A 111 ? 0.2770 0.1603 0.2814 -0.0160 0.0181 -0.0356 111 TRP A C 858 O O . TRP A 111 ? 0.2642 0.1409 0.2686 -0.0077 0.0175 -0.0295 111 TRP A O 859 C CB . TRP A 111 ? 0.3200 0.1822 0.3183 -0.0208 0.0296 -0.0488 111 TRP A CB 860 C CG . TRP A 111 ? 0.3477 0.2102 0.3438 -0.0265 0.0343 -0.0600 111 TRP A CG 861 C CD1 . TRP A 111 ? 0.3244 0.1767 0.3188 -0.0209 0.0394 -0.0643 111 TRP A CD1 862 C CD2 . TRP A 111 ? 0.3431 0.2188 0.3381 -0.0386 0.0343 -0.0686 111 TRP A CD2 863 N NE1 . TRP A 111 ? 0.3337 0.1910 0.3252 -0.0297 0.0427 -0.0760 111 TRP A NE1 864 C CE2 . TRP A 111 ? 0.3581 0.2310 0.3500 -0.0410 0.0393 -0.0787 111 TRP A CE2 865 C CE3 . TRP A 111 ? 0.3486 0.2407 0.3450 -0.0472 0.0307 -0.0688 111 TRP A CE3 866 C CZ2 . TRP A 111 ? 0.3600 0.2472 0.3497 -0.0528 0.0403 -0.0891 111 TRP A CZ2 867 C CZ3 . TRP A 111 ? 0.3378 0.2452 0.3331 -0.0579 0.0316 -0.0780 111 TRP A CZ3 868 C CH2 . TRP A 111 ? 0.3394 0.2454 0.3312 -0.0612 0.0359 -0.0881 111 TRP A CH2 869 N N . PHE A 112 ? 0.2826 0.1743 0.2871 -0.0221 0.0158 -0.0353 112 PHE A N 870 C CA . PHE A 112 ? 0.2705 0.1604 0.2736 -0.0204 0.0135 -0.0287 112 PHE A CA 871 C C . PHE A 112 ? 0.2867 0.1697 0.2856 -0.0288 0.0176 -0.0308 112 PHE A C 872 O O . PHE A 112 ? 0.2990 0.1818 0.2967 -0.0369 0.0214 -0.0379 112 PHE A O 873 C CB . PHE A 112 ? 0.2634 0.1706 0.2705 -0.0198 0.0078 -0.0265 112 PHE A CB 874 C CG . PHE A 112 ? 0.2557 0.1709 0.2671 -0.0137 0.0037 -0.0242 112 PHE A CG 875 C CD1 . PHE A 112 ? 0.2482 0.1636 0.2598 -0.0089 0.0002 -0.0188 112 PHE A CD1 876 C CD2 . PHE A 112 ? 0.2287 0.1530 0.2436 -0.0138 0.0035 -0.0275 112 PHE A CD2 877 C CE1 . PHE A 112 ? 0.2180 0.1419 0.2339 -0.0053 -0.0033 -0.0171 112 PHE A CE1 878 C CE2 . PHE A 112 ? 0.2740 0.2060 0.2931 -0.0093 0.0004 -0.0249 112 PHE A CE2 879 C CZ . PHE A 112 ? 0.2428 0.1746 0.2627 -0.0056 -0.0031 -0.0197 112 PHE A CZ 880 N N . ARG A 113 ? 0.2823 0.1606 0.2783 -0.0278 0.0173 -0.0251 113 ARG A N 881 C CA . ARG A 113 ? 0.3147 0.1888 0.3069 -0.0364 0.0213 -0.0260 113 ARG A CA 882 C C . ARG A 113 ? 0.2993 0.1841 0.2915 -0.0350 0.0177 -0.0213 113 ARG A C 883 O O . ARG A 113 ? 0.2864 0.1740 0.2792 -0.0273 0.0134 -0.0165 113 ARG A O 884 C CB . ARG A 113 ? 0.3293 0.1792 0.3150 -0.0375 0.0281 -0.0237 113 ARG A CB 885 C CG . ARG A 113 ? 0.3580 0.1917 0.3419 -0.0380 0.0336 -0.0289 113 ARG A CG 886 C CD . ARG A 113 ? 0.3776 0.1837 0.3544 -0.0374 0.0414 -0.0251 113 ARG A CD 887 N NE . ARG A 113 ? 0.3862 0.1758 0.3614 -0.0359 0.0471 -0.0307 113 ARG A NE 888 C CZ . ARG A 113 ? 0.4473 0.2090 0.4163 -0.0333 0.0554 -0.0282 113 ARG A CZ 889 N NH1 . ARG A 113 ? 0.4556 0.2038 0.4196 -0.0326 0.0586 -0.0195 113 ARG A NH1 890 N NH2 . ARG A 113 ? 0.4897 0.2363 0.4570 -0.0312 0.0612 -0.0345 113 ARG A NH2 891 N N . ILE A 114 ? 0.3113 0.2034 0.3031 -0.0428 0.0197 -0.0231 114 ILE A N 892 C CA . ILE A 114 ? 0.3067 0.2076 0.2975 -0.0416 0.0180 -0.0191 114 ILE A CA 893 C C . ILE A 114 ? 0.3209 0.2074 0.3051 -0.0457 0.0232 -0.0153 114 ILE A C 894 O O . ILE A 114 ? 0.3561 0.2343 0.3385 -0.0545 0.0287 -0.0183 114 ILE A O 895 C CB . ILE A 114 ? 0.2892 0.2108 0.2843 -0.0462 0.0174 -0.0226 114 ILE A CB 896 C CG1 . ILE A 114 ? 0.2818 0.2166 0.2829 -0.0417 0.0132 -0.0249 114 ILE A CG1 897 C CG2 . ILE A 114 ? 0.2646 0.1935 0.2579 -0.0440 0.0170 -0.0187 114 ILE A CG2 898 C CD1 . ILE A 114 ? 0.2223 0.1800 0.2283 -0.0450 0.0130 -0.0275 114 ILE A CD1 899 N N . GLU A 115 ? 0.3327 0.2156 0.3126 -0.0398 0.0218 -0.0086 115 GLU A N 900 C CA . GLU A 115 ? 0.3545 0.2250 0.3274 -0.0421 0.0265 -0.0027 115 GLU A CA 901 C C . GLU A 115 ? 0.3518 0.2346 0.3223 -0.0418 0.0254 0.0003 115 GLU A C 902 O O . GLU A 115 ? 0.3238 0.2197 0.2968 -0.0371 0.0206 -0.0014 115 GLU A O 903 C CB . GLU A 115 ? 0.3689 0.2239 0.3376 -0.0335 0.0265 0.0042 115 GLU A CB 904 C CG A GLU A 115 ? 0.3906 0.2368 0.3628 -0.0304 0.0267 0.0007 115 GLU A CG 905 C CG B GLU A 115 ? 0.3535 0.1968 0.3245 -0.0304 0.0276 0.0019 115 GLU A CG 906 C CD A GLU A 115 ? 0.4055 0.2311 0.3730 -0.0242 0.0309 0.0072 115 GLU A CD 907 C CD B GLU A 115 ? 0.2964 0.1209 0.2644 -0.0380 0.0357 -0.0005 115 GLU A CD 908 O OE1 A GLU A 115 ? 0.4435 0.2664 0.4060 -0.0184 0.0306 0.0162 115 GLU A OE1 909 O OE1 B GLU A 115 ? 0.3265 0.1414 0.2961 -0.0365 0.0376 -0.0046 115 GLU A OE1 910 O OE2 A GLU A 115 ? 0.4387 0.2517 0.4073 -0.0242 0.0346 0.0034 115 GLU A OE2 911 O OE2 B GLU A 115 ? 0.3443 0.1632 0.3080 -0.0459 0.0407 0.0012 115 GLU A OE2 912 N N . ARG A 116 ? 0.3696 0.2469 0.3343 -0.0469 0.0304 0.0047 116 ARG A N 913 C CA . ARG A 116 ? 0.3912 0.2801 0.3521 -0.0456 0.0298 0.0081 116 ARG A CA 914 C C . ARG A 116 ? 0.3917 0.2784 0.3473 -0.0361 0.0259 0.0139 116 ARG A C 915 O O . ARG A 116 ? 0.4073 0.2806 0.3602 -0.0316 0.0261 0.0190 116 ARG A O 916 C CB . ARG A 116 ? 0.4069 0.2916 0.3629 -0.0544 0.0368 0.0119 116 ARG A CB 917 C CG . ARG A 116 ? 0.4342 0.3326 0.3960 -0.0646 0.0395 0.0054 116 ARG A CG 918 C CD . ARG A 116 ? 0.5215 0.4228 0.4792 -0.0738 0.0460 0.0090 116 ARG A CD 919 N NE . ARG A 116 ? 0.5502 0.4607 0.5135 -0.0866 0.0497 0.0026 116 ARG A NE 920 C CZ . ARG A 116 ? 0.5633 0.4996 0.5342 -0.0884 0.0475 -0.0032 116 ARG A CZ 921 N NH1 . ARG A 116 ? 0.5328 0.4841 0.5063 -0.0776 0.0424 -0.0035 116 ARG A NH1 922 N NH2 . ARG A 116 ? 0.5754 0.5230 0.5511 -0.1009 0.0508 -0.0087 116 ARG A NH2 923 N N . HIS A 117 ? 0.3995 0.3003 0.3541 -0.0325 0.0223 0.0123 117 HIS A N 924 C CA . HIS A 117 ? 0.4010 0.3037 0.3494 -0.0255 0.0185 0.0166 117 HIS A CA 925 C C . HIS A 117 ? 0.4070 0.3212 0.3497 -0.0269 0.0201 0.0169 117 HIS A C 926 O O . HIS A 117 ? 0.3869 0.3120 0.3318 -0.0261 0.0186 0.0106 117 HIS A O 927 C CB . HIS A 117 ? 0.3964 0.3041 0.3490 -0.0202 0.0122 0.0118 117 HIS A CB 928 C CG . HIS A 117 ? 0.4235 0.3360 0.3700 -0.0149 0.0080 0.0148 117 HIS A CG 929 N ND1 . HIS A 117 ? 0.4553 0.3629 0.3978 -0.0106 0.0072 0.0228 117 HIS A ND1 930 C CD2 . HIS A 117 ? 0.4459 0.3686 0.3892 -0.0135 0.0048 0.0107 117 HIS A CD2 931 C CE1 . HIS A 117 ? 0.4660 0.3842 0.4036 -0.0073 0.0027 0.0235 117 HIS A CE1 932 N NE2 . HIS A 117 ? 0.4592 0.3856 0.3967 -0.0098 0.0013 0.0154 117 HIS A NE2 933 N N . GLY A 118 ? 0.4295 0.3403 0.3645 -0.0287 0.0241 0.0244 118 GLY A N 934 C CA . GLY A 118 ? 0.4394 0.3623 0.3684 -0.0305 0.0266 0.0250 118 GLY A CA 935 C C . GLY A 118 ? 0.4312 0.3637 0.3665 -0.0360 0.0298 0.0187 118 GLY A C 936 O O . GLY A 118 ? 0.4434 0.3720 0.3834 -0.0428 0.0336 0.0187 118 GLY A O 937 N N . ASP A 119 ? 0.4253 0.3709 0.3609 -0.0327 0.0282 0.0128 119 ASP A N 938 C CA . ASP A 119 ? 0.4265 0.3852 0.3679 -0.0354 0.0315 0.0080 119 ASP A CA 939 C C . ASP A 119 ? 0.3999 0.3603 0.3516 -0.0337 0.0288 0.0019 119 ASP A C 940 O O . ASP A 119 ? 0.3947 0.3683 0.3528 -0.0349 0.0312 -0.0014 119 ASP A O 941 C CB . ASP A 119 ? 0.4463 0.4176 0.3822 -0.0309 0.0326 0.0050 119 ASP A CB 942 C CG . ASP A 119 ? 0.5126 0.4989 0.4497 -0.0350 0.0387 0.0054 119 ASP A CG 943 O OD1 . ASP A 119 ? 0.5821 0.5687 0.5230 -0.0432 0.0421 0.0089 119 ASP A OD1 944 O OD2 . ASP A 119 ? 0.6018 0.6000 0.5360 -0.0305 0.0406 0.0018 119 ASP A OD2 945 N N . SER A 120 ? 0.3700 0.3193 0.3234 -0.0305 0.0241 0.0011 120 SER A N 946 C CA . SER A 120 ? 0.3403 0.2910 0.3028 -0.0292 0.0218 -0.0035 120 SER A CA 947 C C . SER A 120 ? 0.3288 0.2670 0.2943 -0.0316 0.0201 -0.0021 120 SER A C 948 O O . SER A 120 ? 0.3185 0.2492 0.2823 -0.0373 0.0233 0.0014 120 SER A O 949 C CB . SER A 120 ? 0.3401 0.2935 0.3032 -0.0219 0.0188 -0.0081 120 SER A CB 950 O OG . SER A 120 ? 0.3721 0.3163 0.3302 -0.0191 0.0148 -0.0075 120 SER A OG 951 N N . TYR A 121 ? 0.3140 0.2492 0.2838 -0.0275 0.0159 -0.0049 121 TYR A N 952 C CA . TYR A 121 ? 0.3132 0.2392 0.2870 -0.0289 0.0147 -0.0048 121 TYR A CA 953 C C . TYR A 121 ? 0.3030 0.2224 0.2763 -0.0231 0.0099 -0.0042 121 TYR A C 954 O O . TYR A 121 ? 0.2998 0.2225 0.2706 -0.0191 0.0071 -0.0051 121 TYR A O 955 C CB . TYR A 121 ? 0.3135 0.2483 0.2954 -0.0314 0.0150 -0.0094 121 TYR A CB 956 C CG . TYR A 121 ? 0.3223 0.2687 0.3060 -0.0382 0.0194 -0.0104 121 TYR A CG 957 C CD1 . TYR A 121 ? 0.3497 0.2900 0.3320 -0.0470 0.0234 -0.0099 121 TYR A CD1 958 C CD2 . TYR A 121 ? 0.3534 0.3167 0.3398 -0.0358 0.0201 -0.0119 121 TYR A CD2 959 C CE1 . TYR A 121 ? 0.3962 0.3491 0.3804 -0.0553 0.0276 -0.0111 121 TYR A CE1 960 C CE2 . TYR A 121 ? 0.3755 0.3541 0.3645 -0.0422 0.0242 -0.0124 121 TYR A CE2 961 C CZ . TYR A 121 ? 0.4338 0.4078 0.4217 -0.0528 0.0276 -0.0122 121 TYR A CZ 962 O OH . TYR A 121 ? 0.4683 0.4582 0.4588 -0.0615 0.0318 -0.0131 121 TYR A OH 963 N N . LYS A 122 ? 0.2893 0.2004 0.2653 -0.0232 0.0094 -0.0036 122 LYS A N 964 C CA . LYS A 122 ? 0.2702 0.1783 0.2479 -0.0181 0.0052 -0.0031 122 LYS A CA 965 C C . LYS A 122 ? 0.2610 0.1654 0.2446 -0.0195 0.0059 -0.0057 122 LYS A C 966 O O . LYS A 122 ? 0.2793 0.1796 0.2633 -0.0248 0.0101 -0.0070 122 LYS A O 967 C CB . LYS A 122 ? 0.2468 0.1483 0.2186 -0.0144 0.0045 0.0032 122 LYS A CB 968 C CG . LYS A 122 ? 0.2744 0.1626 0.2436 -0.0159 0.0095 0.0079 122 LYS A CG 969 C CD . LYS A 122 ? 0.2853 0.1683 0.2496 -0.0092 0.0085 0.0158 122 LYS A CD 970 C CE . LYS A 122 ? 0.3437 0.2088 0.3052 -0.0085 0.0147 0.0213 122 LYS A CE 971 N NZ . LYS A 122 ? 0.3975 0.2612 0.3539 0.0001 0.0136 0.0311 122 LYS A NZ 972 N N . LEU A 123 ? 0.2601 0.1669 0.2477 -0.0158 0.0023 -0.0070 123 LEU A N 973 C CA . LEU A 123 ? 0.2539 0.1580 0.2462 -0.0157 0.0027 -0.0091 123 LEU A CA 974 C C . LEU A 123 ? 0.2644 0.1604 0.2551 -0.0106 0.0023 -0.0050 123 LEU A C 975 O O . LEU A 123 ? 0.2426 0.1419 0.2314 -0.0064 -0.0011 -0.0014 123 LEU A O 976 C CB . LEU A 123 ? 0.2637 0.1772 0.2617 -0.0141 -0.0007 -0.0121 123 LEU A CB 977 C CG . LEU A 123 ? 0.2767 0.1998 0.2775 -0.0166 -0.0001 -0.0150 123 LEU A CG 978 C CD1 . LEU A 123 ? 0.2576 0.1864 0.2620 -0.0132 -0.0032 -0.0153 123 LEU A CD1 979 C CD2 . LEU A 123 ? 0.3387 0.2654 0.3422 -0.0212 0.0027 -0.0182 123 LEU A CD2 980 N N . VAL A 124 ? 0.2626 0.1487 0.2537 -0.0110 0.0061 -0.0056 124 VAL A N 981 C CA . VAL A 124 ? 0.2763 0.1555 0.2673 -0.0042 0.0065 -0.0019 124 VAL A CA 982 C C . VAL A 124 ? 0.2766 0.1558 0.2727 -0.0037 0.0076 -0.0068 124 VAL A C 983 O O . VAL A 124 ? 0.2910 0.1723 0.2889 -0.0099 0.0092 -0.0130 124 VAL A O 984 C CB . VAL A 124 ? 0.2878 0.1502 0.2728 -0.0029 0.0121 0.0030 124 VAL A CB 985 C CG1 . VAL A 124 ? 0.3238 0.1877 0.3029 -0.0032 0.0114 0.0088 124 VAL A CG1 986 C CG2 . VAL A 124 ? 0.3133 0.1649 0.2974 -0.0110 0.0182 -0.0027 124 VAL A CG2 987 N N . HIS A 125 ? 0.2709 0.1513 0.2695 0.0037 0.0063 -0.0041 125 HIS A N 988 C CA . HIS A 125 ? 0.2826 0.1634 0.2853 0.0051 0.0080 -0.0087 125 HIS A CA 989 C C . HIS A 125 ? 0.2988 0.1623 0.2983 0.0108 0.0143 -0.0066 125 HIS A C 990 O O . HIS A 125 ? 0.3178 0.1767 0.3149 0.0178 0.0146 0.0010 125 HIS A O 991 C CB . HIS A 125 ? 0.2707 0.1670 0.2793 0.0093 0.0029 -0.0076 125 HIS A CB 992 C CG . HIS A 125 ? 0.2872 0.1859 0.2999 0.0112 0.0049 -0.0117 125 HIS A CG 993 N ND1 . HIS A 125 ? 0.2895 0.1870 0.3040 0.0198 0.0068 -0.0089 125 HIS A ND1 994 C CD2 . HIS A 125 ? 0.2565 0.1597 0.2712 0.0062 0.0060 -0.0182 125 HIS A CD2 995 C CE1 . HIS A 125 ? 0.3111 0.2119 0.3285 0.0197 0.0089 -0.0143 125 HIS A CE1 996 N NE2 . HIS A 125 ? 0.2715 0.1764 0.2889 0.0112 0.0082 -0.0199 125 HIS A NE2 997 N N . CYS A 126 ? 0.3147 0.1693 0.3140 0.0082 0.0195 -0.0133 126 CYS A N 998 C CA . CYS A 126 ? 0.3446 0.1772 0.3394 0.0126 0.0276 -0.0130 126 CYS A CA 999 C C . CYS A 126 ? 0.3363 0.1714 0.3349 0.0183 0.0295 -0.0173 126 CYS A C 1000 O O . CYS A 126 ? 0.3358 0.1731 0.3349 0.0117 0.0313 -0.0265 126 CYS A O 1001 C CB . CYS A 126 ? 0.3592 0.1759 0.3485 0.0015 0.0338 -0.0195 126 CYS A CB 1002 S SG . CYS A 126 ? 0.4862 0.3051 0.4720 -0.0059 0.0313 -0.0145 126 CYS A SG 1003 N N . PRO A 127 ? 0.3426 0.1815 0.3440 0.0307 0.0288 -0.0106 127 PRO A N 1004 C CA . PRO A 127 ? 0.3426 0.1864 0.3481 0.0371 0.0310 -0.0143 127 PRO A CA 1005 C C . PRO A 127 ? 0.3504 0.1706 0.3501 0.0348 0.0409 -0.0225 127 PRO A C 1006 O O . PRO A 127 ? 0.3622 0.1585 0.3554 0.0358 0.0473 -0.0201 127 PRO A O 1007 C CB . PRO A 127 ? 0.3514 0.1991 0.3594 0.0519 0.0306 -0.0037 127 PRO A CB 1008 C CG . PRO A 127 ? 0.3478 0.2054 0.3557 0.0508 0.0239 0.0043 127 PRO A CG 1009 C CD . PRO A 127 ? 0.3548 0.1990 0.3564 0.0390 0.0252 0.0007 127 PRO A CD 1010 N N . ARG A 128 ? 0.3454 0.1718 0.3467 0.0314 0.0425 -0.0321 128 ARG A N 1011 C CA . ARG A 128 ? 0.3642 0.1708 0.3592 0.0265 0.0518 -0.0433 128 ARG A CA 1012 C C . ARG A 128 ? 0.3746 0.1654 0.3626 0.0119 0.0556 -0.0501 128 ARG A C 1013 O O . ARG A 128 ? 0.3767 0.1449 0.3578 0.0075 0.0650 -0.0590 128 ARG A O 1014 C CB . ARG A 128 ? 0.3951 0.1790 0.3869 0.0397 0.0611 -0.0410 128 ARG A CB 1015 C CG . ARG A 128 ? 0.3904 0.1913 0.3893 0.0541 0.0593 -0.0362 128 ARG A CG 1016 C CD . ARG A 128 ? 0.4584 0.2361 0.4539 0.0693 0.0691 -0.0320 128 ARG A CD 1017 N NE . ARG A 128 ? 0.4750 0.2728 0.4784 0.0842 0.0674 -0.0266 128 ARG A NE 1018 C CZ . ARG A 128 ? 0.4701 0.2775 0.4761 0.0870 0.0703 -0.0344 128 ARG A CZ 1019 N NH1 . ARG A 128 ? 0.4594 0.2879 0.4734 0.1007 0.0685 -0.0278 128 ARG A NH1 1020 N NH2 . ARG A 128 ? 0.4560 0.2552 0.4567 0.0759 0.0747 -0.0488 128 ARG A NH2 1021 N N . GLY A 129 ? 0.3467 0.1484 0.3361 0.0045 0.0492 -0.0463 129 GLY A N 1022 C CA . GLY A 129 ? 0.3502 0.1419 0.3343 -0.0087 0.0516 -0.0500 129 GLY A CA 1023 C C . GLY A 129 ? 0.4116 0.1735 0.3888 -0.0073 0.0593 -0.0451 129 GLY A C 1024 O O . GLY A 129 ? 0.4200 0.1689 0.3918 -0.0196 0.0643 -0.0505 129 GLY A O 1025 N N . SER A 130 ? 0.4160 0.1683 0.3933 0.0073 0.0606 -0.0344 130 SER A N 1026 C CA . SER A 130 ? 0.4418 0.1675 0.4124 0.0105 0.0674 -0.0265 130 SER A CA 1027 C C . SER A 130 ? 0.4424 0.1788 0.4151 0.0201 0.0610 -0.0117 130 SER A C 1028 O O . SER A 130 ? 0.4083 0.1696 0.3878 0.0269 0.0524 -0.0076 130 SER A O 1029 C CB . SER A 130 ? 0.4734 0.1689 0.4388 0.0202 0.0788 -0.0270 130 SER A CB 1030 O OG A SER A 130 ? 0.4541 0.1598 0.4247 0.0377 0.0765 -0.0199 130 SER A OG 1031 O OG B SER A 130 ? 0.4720 0.1676 0.4380 0.0186 0.0823 -0.0395 130 SER A OG 1032 N N . THR A 131 ? 0.4709 0.1879 0.4371 0.0201 0.0659 -0.0039 131 THR A N 1033 C CA . THR A 131 ? 0.4820 0.2068 0.4481 0.0304 0.0615 0.0108 131 THR A CA 1034 C C . THR A 131 ? 0.5106 0.2329 0.4786 0.0494 0.0635 0.0192 131 THR A C 1035 O O . THR A 131 ? 0.5437 0.2454 0.5097 0.0549 0.0722 0.0154 131 THR A O 1036 C CB . THR A 131 ? 0.5051 0.2085 0.4627 0.0261 0.0676 0.0180 131 THR A CB 1037 O OG1 . THR A 131 ? 0.5160 0.1838 0.4668 0.0271 0.0804 0.0164 131 THR A OG1 1038 C CG2 . THR A 131 ? 0.4890 0.2011 0.4459 0.0085 0.0648 0.0114 131 THR A CG2 1039 N N . PRO A 132 ? 0.5155 0.2586 0.4868 0.0598 0.0562 0.0306 132 PRO A N 1040 C CA . PRO A 132 ? 0.4975 0.2621 0.4693 0.0547 0.0471 0.0353 132 PRO A CA 1041 C C . PRO A 132 ? 0.4718 0.2623 0.4506 0.0454 0.0380 0.0257 132 PRO A C 1042 O O . PRO A 132 ? 0.4594 0.2617 0.4446 0.0485 0.0356 0.0208 132 PRO A O 1043 C CB . PRO A 132 ? 0.5069 0.2856 0.4799 0.0706 0.0435 0.0493 132 PRO A CB 1044 C CG . PRO A 132 ? 0.5290 0.3071 0.5070 0.0832 0.0467 0.0492 132 PRO A CG 1045 C CD . PRO A 132 ? 0.5244 0.2703 0.4981 0.0788 0.0577 0.0403 132 PRO A CD 1046 N N . CYS A 133 ? 0.4557 0.2536 0.4328 0.0344 0.0341 0.0236 133 CYS A N 1047 C CA . CYS A 133 ? 0.4365 0.2570 0.4192 0.0264 0.0261 0.0164 133 CYS A CA 1048 C C . CYS A 133 ? 0.4073 0.2479 0.3910 0.0311 0.0184 0.0236 133 CYS A C 1049 O O . CYS A 133 ? 0.4258 0.2631 0.4044 0.0367 0.0193 0.0331 133 CYS A O 1050 C CB . CYS A 133 ? 0.4403 0.2568 0.4204 0.0126 0.0276 0.0097 133 CYS A CB 1051 S SG . CYS A 133 ? 0.5232 0.3177 0.5010 0.0037 0.0371 -0.0008 133 CYS A SG 1052 N N . ARG A 134 ? 0.3689 0.2303 0.3585 0.0288 0.0113 0.0194 134 ARG A N 1053 C CA . ARG A 134 ? 0.3597 0.2398 0.3495 0.0307 0.0043 0.0240 134 ARG A CA 1054 C C . ARG A 134 ? 0.3287 0.2159 0.3180 0.0205 0.0008 0.0179 134 ARG A C 1055 O O . ARG A 134 ? 0.3153 0.2022 0.3082 0.0144 0.0012 0.0103 134 ARG A O 1056 C CB . ARG A 134 ? 0.3631 0.2616 0.3601 0.0362 -0.0006 0.0243 134 ARG A CB 1057 C CG . ARG A 134 ? 0.3791 0.2977 0.3755 0.0380 -0.0073 0.0293 134 ARG A CG 1058 C CD . ARG A 134 ? 0.4377 0.3750 0.4404 0.0457 -0.0107 0.0329 134 ARG A CD 1059 N NE . ARG A 134 ? 0.5132 0.4447 0.5152 0.0586 -0.0063 0.0419 134 ARG A NE 1060 C CZ . ARG A 134 ? 0.5395 0.4828 0.5480 0.0680 -0.0063 0.0453 134 ARG A CZ 1061 N NH1 . ARG A 134 ? 0.5387 0.5010 0.5549 0.0643 -0.0109 0.0401 134 ARG A NH1 1062 N NH2 . ARG A 134 ? 0.5529 0.4889 0.5601 0.0816 -0.0012 0.0543 134 ARG A NH2 1063 N N . ASP A 135 ? 0.3114 0.2058 0.2960 0.0194 -0.0023 0.0214 135 ASP A N 1064 C CA . ASP A 135 ? 0.2986 0.1996 0.2820 0.0114 -0.0049 0.0159 135 ASP A CA 1065 C C . ASP A 135 ? 0.2662 0.1798 0.2558 0.0090 -0.0097 0.0101 135 ASP A C 1066 O O . ASP A 135 ? 0.2615 0.1859 0.2546 0.0127 -0.0133 0.0118 135 ASP A O 1067 C CB . ASP A 135 ? 0.2941 0.2023 0.2704 0.0116 -0.0073 0.0203 135 ASP A CB 1068 C CG . ASP A 135 ? 0.3641 0.2610 0.3331 0.0137 -0.0024 0.0278 135 ASP A CG 1069 O OD1 . ASP A 135 ? 0.3953 0.2769 0.3636 0.0105 0.0034 0.0268 135 ASP A OD1 1070 O OD2 . ASP A 135 ? 0.3837 0.2882 0.3471 0.0179 -0.0044 0.0347 135 ASP A OD2 1071 N N . VAL A 136 ? 0.2396 0.1529 0.2308 0.0030 -0.0094 0.0039 136 VAL A N 1072 C CA . VAL A 136 ? 0.2257 0.1483 0.2210 0.0003 -0.0130 -0.0005 136 VAL A CA 1073 C C . VAL A 136 ? 0.2420 0.1695 0.2321 -0.0025 -0.0154 -0.0018 136 VAL A C 1074 O O . VAL A 136 ? 0.2405 0.1639 0.2256 -0.0045 -0.0131 -0.0024 136 VAL A O 1075 C CB . VAL A 136 ? 0.2267 0.1467 0.2264 -0.0030 -0.0108 -0.0054 136 VAL A CB 1076 C CG1 . VAL A 136 ? 0.2002 0.1271 0.2035 -0.0052 -0.0135 -0.0086 136 VAL A CG1 1077 C CG2 . VAL A 136 ? 0.2045 0.1207 0.2080 -0.0011 -0.0083 -0.0056 136 VAL A CG2 1078 N N . GLY A 137 ? 0.2273 0.1643 0.2182 -0.0034 -0.0195 -0.0030 137 GLY A N 1079 C CA . GLY A 137 ? 0.2480 0.1896 0.2329 -0.0069 -0.0216 -0.0056 137 GLY A CA 1080 C C . GLY A 137 ? 0.2408 0.1854 0.2291 -0.0115 -0.0234 -0.0110 137 GLY A C 1081 O O . GLY A 137 ? 0.2309 0.1739 0.2260 -0.0114 -0.0227 -0.0115 137 GLY A O 1082 N N . ILE A 138 ? 0.2783 0.2267 0.2612 -0.0159 -0.0251 -0.0151 138 ILE A N 1083 C CA . ILE A 138 ? 0.2989 0.2470 0.2836 -0.0218 -0.0258 -0.0207 138 ILE A CA 1084 C C . ILE A 138 ? 0.3276 0.2917 0.3132 -0.0251 -0.0307 -0.0204 138 ILE A C 1085 O O . ILE A 138 ? 0.3293 0.3043 0.3094 -0.0247 -0.0334 -0.0189 138 ILE A O 1086 C CB . ILE A 138 ? 0.3118 0.2505 0.2892 -0.0254 -0.0229 -0.0272 138 ILE A CB 1087 C CG1 . ILE A 138 ? 0.3549 0.2826 0.3331 -0.0211 -0.0182 -0.0264 138 ILE A CG1 1088 C CG2 . ILE A 138 ? 0.3397 0.2734 0.3175 -0.0324 -0.0223 -0.0335 138 ILE A CG2 1089 C CD1 . ILE A 138 ? 0.4149 0.3337 0.3862 -0.0221 -0.0143 -0.0320 138 ILE A CD1 1090 N N . GLU A 139 ? 0.3270 0.2956 0.3198 -0.0282 -0.0318 -0.0211 139 GLU A N 1091 C CA . GLU A 139 ? 0.3587 0.3452 0.3534 -0.0336 -0.0362 -0.0221 139 GLU A CA 1092 C C . GLU A 139 ? 0.3870 0.3688 0.3816 -0.0443 -0.0351 -0.0295 139 GLU A C 1093 O O . GLU A 139 ? 0.3738 0.3370 0.3674 -0.0453 -0.0307 -0.0323 139 GLU A O 1094 C CB . GLU A 139 ? 0.3514 0.3510 0.3557 -0.0286 -0.0380 -0.0159 139 GLU A CB 1095 C CG . GLU A 139 ? 0.3833 0.3893 0.3874 -0.0182 -0.0389 -0.0081 139 GLU A CG 1096 C CD . GLU A 139 ? 0.3626 0.3881 0.3624 -0.0181 -0.0434 -0.0058 139 GLU A CD 1097 O OE1 . GLU A 139 ? 0.4121 0.4402 0.4094 -0.0093 -0.0434 0.0014 139 GLU A OE1 1098 O OE2 . GLU A 139 ? 0.4338 0.4721 0.4322 -0.0272 -0.0466 -0.0109 139 GLU A OE2 1099 N N . THR A 140 ? 0.4173 0.4165 0.4133 -0.0521 -0.0389 -0.0319 140 THR A N 1100 C CA . THR A 140 ? 0.4483 0.4427 0.4429 -0.0650 -0.0375 -0.0399 140 THR A CA 1101 C C . THR A 140 ? 0.4744 0.4902 0.4764 -0.0726 -0.0410 -0.0396 140 THR A C 1102 O O . THR A 140 ? 0.4966 0.5070 0.5006 -0.0829 -0.0388 -0.0441 140 THR A O 1103 C CB . THR A 140 ? 0.4608 0.4503 0.4436 -0.0728 -0.0371 -0.0490 140 THR A CB 1104 O OG1 A THR A 140 ? 0.4618 0.4782 0.4425 -0.0777 -0.0431 -0.0502 140 THR A OG1 1105 O OG1 B THR A 140 ? 0.4652 0.4521 0.4466 -0.0869 -0.0358 -0.0573 140 THR A OG1 1106 C CG2 A THR A 140 ? 0.4481 0.4236 0.4238 -0.0644 -0.0344 -0.0483 140 THR A CG2 1107 C CG2 B THR A 140 ? 0.4699 0.4825 0.4479 -0.0710 -0.0427 -0.0475 140 THR A CG2 1108 N N . VAL A 141 ? 0.4819 0.5222 0.4883 -0.0668 -0.0458 -0.0336 141 VAL A N 1109 C CA . VAL A 141 ? 0.4986 0.5654 0.5133 -0.0713 -0.0495 -0.0317 141 VAL A CA 1110 C C . VAL A 141 ? 0.4915 0.5517 0.5155 -0.0722 -0.0461 -0.0295 141 VAL A C 1111 O O . VAL A 141 ? 0.4941 0.5426 0.5217 -0.0617 -0.0433 -0.0241 141 VAL A O 1112 C CB . VAL A 141 ? 0.4896 0.5796 0.5072 -0.0590 -0.0538 -0.0229 141 VAL A CB 1113 C CG1 . VAL A 141 ? 0.4918 0.5917 0.5207 -0.0500 -0.0534 -0.0151 141 VAL A CG1 1114 C CG2 . VAL A 141 ? 0.5095 0.6277 0.5232 -0.0649 -0.0596 -0.0248 141 VAL A CG2 1115 N N . GLY A 142 ? 0.4856 0.5531 0.5125 -0.0857 -0.0460 -0.0341 142 GLY A N 1116 C CA . GLY A 142 ? 0.4805 0.5434 0.5155 -0.0878 -0.0425 -0.0315 142 GLY A CA 1117 C C . GLY A 142 ? 0.4710 0.5008 0.5028 -0.0856 -0.0361 -0.0317 142 GLY A C 1118 O O . GLY A 142 ? 0.4757 0.5021 0.5138 -0.0841 -0.0332 -0.0276 142 GLY A O 1119 N N . GLY A 143 ? 0.4697 0.4775 0.4919 -0.0850 -0.0339 -0.0361 143 GLY A N 1120 C CA . GLY A 143 ? 0.4504 0.4285 0.4692 -0.0824 -0.0276 -0.0362 143 GLY A CA 1121 C C . GLY A 143 ? 0.4625 0.4229 0.4771 -0.0956 -0.0226 -0.0423 143 GLY A C 1122 O O . GLY A 143 ? 0.4603 0.3952 0.4711 -0.0933 -0.0167 -0.0422 143 GLY A O 1123 N N . GLY A 144 ? 0.4554 0.4294 0.4708 -0.1096 -0.0246 -0.0473 144 GLY A N 1124 C CA . GLY A 144 ? 0.4883 0.4441 0.4993 -0.1244 -0.0191 -0.0538 144 GLY A CA 1125 C C . GLY A 144 ? 0.5017 0.4287 0.5008 -0.1241 -0.0143 -0.0608 144 GLY A C 1126 O O . GLY A 144 ? 0.5316 0.4301 0.5267 -0.1270 -0.0067 -0.0621 144 GLY A O 1127 N N . GLY A 145 ? 0.4860 0.4208 0.4792 -0.1197 -0.0183 -0.0645 145 GLY A N 1128 C CA . GLY A 145 ? 0.4833 0.3951 0.4648 -0.1184 -0.0140 -0.0717 145 GLY A CA 1129 C C . GLY A 145 ? 0.4549 0.3551 0.4359 -0.1011 -0.0122 -0.0653 145 GLY A C 1130 O O . GLY A 145 ? 0.4652 0.3554 0.4375 -0.0977 -0.0105 -0.0702 145 GLY A O 1131 N N . ARG A 146 ? 0.4054 0.3089 0.3953 -0.0909 -0.0126 -0.0552 146 ARG A N 1132 C CA . ARG A 146 ? 0.3803 0.2731 0.3699 -0.0767 -0.0101 -0.0499 146 ARG A CA 1133 C C . ARG A 146 ? 0.3441 0.2563 0.3352 -0.0687 -0.0161 -0.0466 146 ARG A C 1134 O O . ARG A 146 ? 0.3377 0.2718 0.3329 -0.0713 -0.0217 -0.0453 146 ARG A O 1135 C CB . ARG A 146 ? 0.3786 0.2656 0.3758 -0.0703 -0.0070 -0.0413 146 ARG A CB 1136 C CG . ARG A 146 ? 0.4448 0.3117 0.4410 -0.0770 -0.0003 -0.0416 146 ARG A CG 1137 C CD . ARG A 146 ? 0.4948 0.3516 0.4948 -0.0659 0.0042 -0.0324 146 ARG A CD 1138 N NE . ARG A 146 ? 0.5725 0.4050 0.5654 -0.0600 0.0112 -0.0337 146 ARG A NE 1139 C CZ . ARG A 146 ? 0.5933 0.4253 0.5849 -0.0481 0.0118 -0.0315 146 ARG A CZ 1140 N NH1 . ARG A 146 ? 0.6258 0.4771 0.6220 -0.0417 0.0064 -0.0282 146 ARG A NH1 1141 N NH2 . ARG A 146 ? 0.6377 0.4495 0.6234 -0.0423 0.0186 -0.0324 146 ARG A NH2 1142 N N . ARG A 147 ? 0.3135 0.2178 0.3013 -0.0592 -0.0143 -0.0451 147 ARG A N 1143 C CA . ARG A 147 ? 0.2831 0.2009 0.2715 -0.0514 -0.0183 -0.0412 147 ARG A CA 1144 C C . ARG A 147 ? 0.2699 0.1885 0.2660 -0.0424 -0.0175 -0.0334 147 ARG A C 1145 O O . ARG A 147 ? 0.2765 0.1829 0.2738 -0.0392 -0.0131 -0.0317 147 ARG A O 1146 C CB . ARG A 147 ? 0.2878 0.1979 0.2671 -0.0485 -0.0163 -0.0451 147 ARG A CB 1147 C CG . ARG A 147 ? 0.3414 0.2509 0.3115 -0.0580 -0.0166 -0.0543 147 ARG A CG 1148 C CD . ARG A 147 ? 0.4582 0.3657 0.4191 -0.0547 -0.0154 -0.0577 147 ARG A CD 1149 N NE . ARG A 147 ? 0.5582 0.4712 0.5099 -0.0647 -0.0170 -0.0669 147 ARG A NE 1150 C CZ . ARG A 147 ? 0.6092 0.5221 0.5505 -0.0648 -0.0159 -0.0724 147 ARG A CZ 1151 N NH1 . ARG A 147 ? 0.6060 0.5128 0.5452 -0.0553 -0.0128 -0.0693 147 ARG A NH1 1152 N NH2 . ARG A 147 ? 0.6261 0.5466 0.5588 -0.0752 -0.0178 -0.0815 147 ARG A NH2 1153 N N . TYR A 148 ? 0.2487 0.1816 0.2492 -0.0380 -0.0213 -0.0288 148 TYR A N 1154 C CA . TYR A 148 ? 0.2470 0.1810 0.2541 -0.0313 -0.0203 -0.0232 148 TYR A CA 1155 C C . TYR A 148 ? 0.2369 0.1775 0.2438 -0.0251 -0.0221 -0.0201 148 TYR A C 1156 O O . TYR A 148 ? 0.2486 0.1971 0.2524 -0.0256 -0.0251 -0.0202 148 TYR A O 1157 C CB . TYR A 148 ? 0.2479 0.1912 0.2628 -0.0339 -0.0215 -0.0207 148 TYR A CB 1158 C CG . TYR A 148 ? 0.2569 0.2175 0.2739 -0.0370 -0.0261 -0.0206 148 TYR A CG 1159 C CD1 . TYR A 148 ? 0.2566 0.2290 0.2773 -0.0303 -0.0284 -0.0164 148 TYR A CD1 1160 C CD2 . TYR A 148 ? 0.2323 0.1979 0.2474 -0.0466 -0.0277 -0.0250 148 TYR A CD2 1161 C CE1 . TYR A 148 ? 0.2588 0.2495 0.2820 -0.0311 -0.0324 -0.0150 148 TYR A CE1 1162 C CE2 . TYR A 148 ? 0.2544 0.2411 0.2721 -0.0496 -0.0324 -0.0246 148 TYR A CE2 1163 C CZ . TYR A 148 ? 0.2636 0.2639 0.2857 -0.0404 -0.0349 -0.0187 148 TYR A CZ 1164 O OH . TYR A 148 ? 0.2707 0.2943 0.2961 -0.0402 -0.0392 -0.0164 148 TYR A OH 1165 N N . LEU A 149 ? 0.2054 0.1427 0.2149 -0.0197 -0.0199 -0.0173 149 LEU A N 1166 C CA . LEU A 149 ? 0.2142 0.1538 0.2231 -0.0147 -0.0202 -0.0146 149 LEU A CA 1167 C C . LEU A 149 ? 0.2113 0.1608 0.2247 -0.0122 -0.0225 -0.0115 149 LEU A C 1168 O O . LEU A 149 ? 0.2006 0.1555 0.2199 -0.0127 -0.0227 -0.0109 149 LEU A O 1169 C CB . LEU A 149 ? 0.2029 0.1375 0.2136 -0.0119 -0.0169 -0.0139 149 LEU A CB 1170 C CG . LEU A 149 ? 0.2238 0.1517 0.2307 -0.0119 -0.0141 -0.0157 149 LEU A CG 1171 C CD1 . LEU A 149 ? 0.1800 0.1090 0.1895 -0.0096 -0.0114 -0.0147 149 LEU A CD1 1172 C CD2 . LEU A 149 ? 0.2462 0.1717 0.2458 -0.0123 -0.0143 -0.0169 149 LEU A CD2 1173 N N . ALA A 150 ? 0.2133 0.1655 0.2238 -0.0086 -0.0236 -0.0087 150 ALA A N 1174 C CA . ALA A 150 ? 0.2172 0.1789 0.2318 -0.0039 -0.0250 -0.0048 150 ALA A CA 1175 C C . ALA A 150 ? 0.2267 0.1840 0.2370 0.0018 -0.0238 -0.0006 150 ALA A C 1176 O O . ALA A 150 ? 0.2480 0.2026 0.2517 0.0005 -0.0242 -0.0003 150 ALA A O 1177 C CB . ALA A 150 ? 0.2061 0.1835 0.2222 -0.0072 -0.0294 -0.0047 150 ALA A CB 1178 N N . PRO A 151 ? 0.2277 0.1830 0.2409 0.0083 -0.0215 0.0027 151 PRO A N 1179 C CA . PRO A 151 ? 0.2532 0.2021 0.2616 0.0141 -0.0195 0.0080 151 PRO A CA 1180 C C . PRO A 151 ? 0.2832 0.2460 0.2889 0.0167 -0.0236 0.0128 151 PRO A C 1181 O O . PRO A 151 ? 0.2845 0.2640 0.2950 0.0169 -0.0273 0.0134 151 PRO A O 1182 C CB . PRO A 151 ? 0.2534 0.1986 0.2660 0.0213 -0.0160 0.0103 151 PRO A CB 1183 C CG . PRO A 151 ? 0.2435 0.1893 0.2617 0.0174 -0.0151 0.0044 151 PRO A CG 1184 C CD . PRO A 151 ? 0.2165 0.1739 0.2364 0.0105 -0.0198 0.0018 151 PRO A CD 1185 N N . ARG A 152 ? 0.2897 0.2480 0.2879 0.0179 -0.0229 0.0165 152 ARG A N 1186 C CA . ARG A 152 ? 0.3196 0.2934 0.3140 0.0203 -0.0270 0.0215 152 ARG A CA 1187 C C . ARG A 152 ? 0.3434 0.3083 0.3294 0.0246 -0.0241 0.0282 152 ARG A C 1188 O O . ARG A 152 ? 0.3393 0.2851 0.3231 0.0245 -0.0187 0.0282 152 ARG A O 1189 C CB . ARG A 152 ? 0.3204 0.3061 0.3129 0.0110 -0.0317 0.0149 152 ARG A CB 1190 C CG . ARG A 152 ? 0.3531 0.3266 0.3402 0.0039 -0.0299 0.0085 152 ARG A CG 1191 C CD . ARG A 152 ? 0.3998 0.3838 0.3833 -0.0042 -0.0337 0.0020 152 ARG A CD 1192 N NE . ARG A 152 ? 0.3892 0.3917 0.3674 -0.0033 -0.0378 0.0057 152 ARG A NE 1193 C CZ . ARG A 152 ? 0.3994 0.4122 0.3715 -0.0107 -0.0409 -0.0001 152 ARG A CZ 1194 N NH1 . ARG A 152 ? 0.4000 0.4029 0.3702 -0.0189 -0.0394 -0.0096 152 ARG A NH1 1195 N NH2 . ARG A 152 ? 0.3988 0.4321 0.3659 -0.0098 -0.0451 0.0035 152 ARG A NH2 1196 N N . ASP A 153 ? 0.3648 0.3448 0.3460 0.0280 -0.0274 0.0343 153 ASP A N 1197 C CA . ASP A 153 ? 0.4179 0.3913 0.3905 0.0331 -0.0245 0.0430 153 ASP A CA 1198 C C . ASP A 153 ? 0.4242 0.3876 0.3892 0.0255 -0.0226 0.0387 153 ASP A C 1199 O O . ASP A 153 ? 0.4409 0.3909 0.4003 0.0277 -0.0177 0.0443 153 ASP A O 1200 C CB . ASP A 153 ? 0.4402 0.4370 0.4095 0.0396 -0.0290 0.0519 153 ASP A CB 1201 C CG . ASP A 153 ? 0.5007 0.5042 0.4763 0.0523 -0.0283 0.0611 153 ASP A CG 1202 O OD1 . ASP A 153 ? 0.5703 0.5587 0.5524 0.0554 -0.0240 0.0594 153 ASP A OD1 1203 O OD2 . ASP A 153 ? 0.5692 0.5945 0.5430 0.0598 -0.0317 0.0702 153 ASP A OD2 1204 N N . ARG A 154 ? 0.4183 0.3882 0.3828 0.0167 -0.0257 0.0293 154 ARG A N 1205 C CA . ARG A 154 ? 0.4361 0.3995 0.3934 0.0106 -0.0237 0.0250 154 ARG A CA 1206 C C . ARG A 154 ? 0.4038 0.3536 0.3665 0.0053 -0.0208 0.0165 154 ARG A C 1207 O O . ARG A 154 ? 0.4003 0.3531 0.3691 0.0025 -0.0230 0.0107 154 ARG A O 1208 C CB . ARG A 154 ? 0.4514 0.4318 0.4027 0.0053 -0.0284 0.0199 154 ARG A CB 1209 C CG . ARG A 154 ? 0.5442 0.5434 0.4884 0.0099 -0.0319 0.0284 154 ARG A CG 1210 C CD . ARG A 154 ? 0.6569 0.6473 0.5940 0.0159 -0.0272 0.0391 154 ARG A CD 1211 N NE . ARG A 154 ? 0.7507 0.7600 0.6783 0.0187 -0.0301 0.0461 154 ARG A NE 1212 C CZ . ARG A 154 ? 0.7973 0.8172 0.7237 0.0285 -0.0312 0.0591 154 ARG A CZ 1213 N NH1 . ARG A 154 ? 0.8130 0.8244 0.7473 0.0369 -0.0291 0.0659 154 ARG A NH1 1214 N NH2 . ARG A 154 ? 0.8242 0.8644 0.7411 0.0305 -0.0342 0.0654 154 ARG A NH2 1215 N N . PRO A 155 ? 0.3968 0.3336 0.3572 0.0038 -0.0157 0.0166 155 PRO A N 1216 C CA . PRO A 155 ? 0.3677 0.2961 0.3336 -0.0006 -0.0132 0.0095 155 PRO A CA 1217 C C . PRO A 155 ? 0.3550 0.2876 0.3187 -0.0054 -0.0142 0.0020 155 PRO A C 1218 O O . PRO A 155 ? 0.3557 0.2949 0.3118 -0.0065 -0.0154 0.0014 155 PRO A O 1219 C CB . PRO A 155 ? 0.3786 0.2954 0.3424 -0.0014 -0.0075 0.0125 155 PRO A CB 1220 C CG . PRO A 155 ? 0.4075 0.3270 0.3620 0.0001 -0.0067 0.0190 155 PRO A CG 1221 C CD . PRO A 155 ? 0.4132 0.3441 0.3663 0.0054 -0.0118 0.0236 155 PRO A CD 1222 N N . LEU A 156 ? 0.3112 0.2401 0.2809 -0.0076 -0.0133 -0.0035 156 LEU A N 1223 C CA . LEU A 156 ? 0.3139 0.2422 0.2816 -0.0103 -0.0118 -0.0096 156 LEU A CA 1224 C C . LEU A 156 ? 0.3017 0.2264 0.2690 -0.0108 -0.0070 -0.0087 156 LEU A C 1225 O O . LEU A 156 ? 0.2810 0.2024 0.2540 -0.0110 -0.0051 -0.0079 156 LEU A O 1226 C CB . LEU A 156 ? 0.3093 0.2359 0.2835 -0.0114 -0.0126 -0.0142 156 LEU A CB 1227 C CG . LEU A 156 ? 0.3371 0.2601 0.3114 -0.0119 -0.0094 -0.0190 156 LEU A CG 1228 C CD1 . LEU A 156 ? 0.3526 0.2754 0.3189 -0.0136 -0.0093 -0.0237 156 LEU A CD1 1229 C CD2 . LEU A 156 ? 0.3240 0.2443 0.3055 -0.0116 -0.0093 -0.0205 156 LEU A CD2 1230 N N . ALA A 157 ? 0.2864 0.2135 0.2467 -0.0115 -0.0049 -0.0094 157 ALA A N 1231 C CA . ALA A 157 ? 0.2806 0.2078 0.2412 -0.0127 -0.0001 -0.0091 157 ALA A CA 1232 C C . ALA A 157 ? 0.2663 0.1945 0.2331 -0.0119 0.0013 -0.0140 157 ALA A C 1233 O O . ALA A 157 ? 0.2797 0.2073 0.2450 -0.0104 0.0009 -0.0183 157 ALA A O 1234 C CB . ALA A 157 ? 0.2885 0.2205 0.2398 -0.0131 0.0021 -0.0090 157 ALA A CB 1235 N N . VAL A 158 ? 0.2587 0.1885 0.2317 -0.0130 0.0035 -0.0131 158 VAL A N 1236 C CA . VAL A 158 ? 0.2416 0.1756 0.2207 -0.0109 0.0047 -0.0160 158 VAL A CA 1237 C C . VAL A 158 ? 0.2501 0.1940 0.2315 -0.0117 0.0089 -0.0158 158 VAL A C 1238 O O . VAL A 158 ? 0.2348 0.1811 0.2146 -0.0160 0.0110 -0.0137 158 VAL A O 1239 C CB . VAL A 158 ? 0.2216 0.1545 0.2081 -0.0111 0.0025 -0.0158 158 VAL A CB 1240 C CG1 . VAL A 158 ? 0.2469 0.1736 0.2329 -0.0100 -0.0013 -0.0163 158 VAL A CG1 1241 C CG2 . VAL A 158 ? 0.2370 0.1694 0.2254 -0.0150 0.0033 -0.0139 158 VAL A CG2 1242 N N . ARG A 159 ? 0.2310 0.1811 0.2164 -0.0075 0.0105 -0.0174 159 ARG A N 1243 C CA . ARG A 159 ? 0.2537 0.2184 0.2433 -0.0074 0.0141 -0.0167 159 ARG A CA 1244 C C . ARG A 159 ? 0.2567 0.2280 0.2542 -0.0046 0.0132 -0.0161 159 ARG A C 1245 O O . ARG A 159 ? 0.2492 0.2119 0.2476 -0.0017 0.0108 -0.0163 159 ARG A O 1246 C CB . ARG A 159 ? 0.2481 0.2172 0.2343 -0.0018 0.0179 -0.0180 159 ARG A CB 1247 C CG . ARG A 159 ? 0.2630 0.2232 0.2482 0.0057 0.0183 -0.0201 159 ARG A CG 1248 C CD . ARG A 159 ? 0.2435 0.2026 0.2221 0.0106 0.0228 -0.0231 159 ARG A CD 1249 N NE . ARG A 159 ? 0.2541 0.1990 0.2296 0.0159 0.0240 -0.0265 159 ARG A NE 1250 C CZ . ARG A 159 ? 0.2688 0.2130 0.2473 0.0244 0.0280 -0.0259 159 ARG A CZ 1251 N NH1 . ARG A 159 ? 0.3226 0.2843 0.3084 0.0294 0.0307 -0.0217 159 ARG A NH1 1252 N NH2 . ARG A 159 ? 0.3325 0.2594 0.3067 0.0280 0.0302 -0.0294 159 ARG A NH2 1253 N N . PHE A 160 ? 0.2455 0.2343 0.2485 -0.0057 0.0152 -0.0151 160 PHE A N 1254 C CA . PHE A 160 ? 0.2469 0.2468 0.2571 -0.0033 0.0142 -0.0139 160 PHE A CA 1255 C C . PHE A 160 ? 0.2601 0.2781 0.2744 0.0040 0.0175 -0.0116 160 PHE A C 1256 O O . PHE A 160 ? 0.2519 0.2833 0.2666 0.0024 0.0204 -0.0117 160 PHE A O 1257 C CB . PHE A 160 ? 0.2498 0.2578 0.2631 -0.0126 0.0130 -0.0152 160 PHE A CB 1258 C CG . PHE A 160 ? 0.2531 0.2428 0.2623 -0.0184 0.0111 -0.0168 160 PHE A CG 1259 C CD1 . PHE A 160 ? 0.2585 0.2377 0.2682 -0.0161 0.0080 -0.0168 160 PHE A CD1 1260 C CD2 . PHE A 160 ? 0.3059 0.2896 0.3108 -0.0253 0.0129 -0.0174 160 PHE A CD2 1261 C CE1 . PHE A 160 ? 0.2739 0.2383 0.2803 -0.0196 0.0065 -0.0176 160 PHE A CE1 1262 C CE2 . PHE A 160 ? 0.2850 0.2515 0.2861 -0.0284 0.0118 -0.0174 160 PHE A CE2 1263 C CZ . PHE A 160 ? 0.2762 0.2339 0.2783 -0.0249 0.0085 -0.0176 160 PHE A CZ 1264 N N . THR A 161 ? 0.2573 0.2760 0.2746 0.0127 0.0176 -0.0088 161 THR A N 1265 C CA . THR A 161 ? 0.2632 0.2999 0.2851 0.0224 0.0212 -0.0049 161 THR A CA 1266 C C . THR A 161 ? 0.2639 0.3197 0.2930 0.0235 0.0193 -0.0011 161 THR A C 1267 O O . THR A 161 ? 0.2413 0.2872 0.2706 0.0258 0.0172 0.0008 161 THR A O 1268 C CB . THR A 161 ? 0.2712 0.2913 0.2896 0.0341 0.0246 -0.0034 161 THR A CB 1269 O OG1 . THR A 161 ? 0.2811 0.2867 0.2921 0.0331 0.0268 -0.0078 161 THR A OG1 1270 C CG2 . THR A 161 ? 0.2899 0.3279 0.3135 0.0469 0.0292 0.0023 161 THR A CG2 1271 N N . ARG A 162 ? 0.2617 0.3468 0.2964 0.0218 0.0200 0.0003 162 ARG A N 1272 C CA . ARG A 162 ? 0.2718 0.3798 0.3129 0.0242 0.0182 0.0044 162 ARG A CA 1273 C C . ARG A 162 ? 0.2897 0.3941 0.3321 0.0397 0.0202 0.0120 162 ARG A C 1274 O O . ARG A 162 ? 0.2876 0.3888 0.3295 0.0511 0.0248 0.0153 162 ARG A O 1275 C CB . ARG A 162 ? 0.2757 0.4209 0.3231 0.0204 0.0189 0.0048 162 ARG A CB 1276 C CG . ARG A 162 ? 0.3066 0.4787 0.3597 0.0214 0.0163 0.0084 162 ARG A CG 1277 C CD . ARG A 162 ? 0.3867 0.5949 0.4450 0.0113 0.0154 0.0058 162 ARG A CD 1278 N NE . ARG A 162 ? 0.3772 0.6139 0.4403 0.0141 0.0129 0.0099 162 ARG A NE 1279 C CZ . ARG A 162 ? 0.3946 0.6671 0.4620 0.0041 0.0111 0.0071 162 ARG A CZ 1280 N NH1 . ARG A 162 ? 0.3796 0.6615 0.4475 -0.0103 0.0120 -0.0001 162 ARG A NH1 1281 N NH2 . ARG A 162 ? 0.3970 0.6965 0.4679 0.0078 0.0085 0.0115 162 ARG A NH2 1282 N N . ALA A 163 ? 0.3123 0.4158 0.3558 0.0403 0.0175 0.0149 163 ALA A N 1283 C CA . ALA A 163 ? 0.3692 0.4675 0.4134 0.0539 0.0198 0.0233 163 ALA A CA 1284 C C . ALA A 163 ? 0.4086 0.5429 0.4597 0.0638 0.0213 0.0316 163 ALA A C 1285 O O . ALA A 163 ? 0.4072 0.5707 0.4625 0.0567 0.0177 0.0309 163 ALA A O 1286 C CB . ALA A 163 ? 0.3776 0.4616 0.4200 0.0498 0.0166 0.0236 163 ALA A CB 1287 N N . SER A 164 ? 0.4571 0.5919 0.5094 0.0799 0.0268 0.0391 164 SER A N 1288 C CA . SER A 164 ? 0.5037 0.6047 0.5503 0.0890 0.0326 0.0391 164 SER A CA 1289 C C . SER A 164 ? 0.5106 0.5933 0.5519 0.0808 0.0333 0.0290 164 SER A C 1290 O O . SER A 164 ? 0.5403 0.5958 0.5757 0.0863 0.0379 0.0268 164 SER A O 1291 C CB . SER A 164 ? 0.5182 0.6315 0.5682 0.1087 0.0395 0.0489 164 SER A CB 1292 O OG . SER A 164 ? 0.5453 0.6720 0.5989 0.1186 0.0397 0.0603 164 SER A OG 1293 N N . ALA B 1 ? 0.3957 0.3826 0.4801 -0.0304 0.0390 0.0106 1 ALA B N 1294 C CA . ALA B 1 ? 0.3808 0.3733 0.4674 -0.0325 0.0298 0.0017 1 ALA B CA 1295 C C . ALA B 1 ? 0.3699 0.3556 0.4474 -0.0278 0.0260 0.0027 1 ALA B C 1296 O O . ALA B 1 ? 0.3996 0.3716 0.4726 -0.0276 0.0312 0.0046 1 ALA B O 1297 C CB . ALA B 1 ? 0.3900 0.3806 0.4843 -0.0415 0.0311 -0.0064 1 ALA B CB 1298 N N . ILE B 2 ? 0.3329 0.3271 0.4075 -0.0243 0.0178 0.0012 2 ILE B N 1299 C CA . ILE B 2 ? 0.3228 0.3124 0.3890 -0.0205 0.0137 0.0016 2 ILE B CA 1300 C C . ILE B 2 ? 0.3122 0.3014 0.3798 -0.0242 0.0081 -0.0066 2 ILE B C 1301 O O . ILE B 2 ? 0.2997 0.2991 0.3727 -0.0258 0.0026 -0.0112 2 ILE B O 1302 C CB . ILE B 2 ? 0.3140 0.3118 0.3749 -0.0155 0.0091 0.0049 2 ILE B CB 1303 C CG1 . ILE B 2 ? 0.3128 0.3147 0.3725 -0.0131 0.0145 0.0120 2 ILE B CG1 1304 C CG2 . ILE B 2 ? 0.2989 0.2928 0.3513 -0.0123 0.0057 0.0058 2 ILE B CG2 1305 C CD1 . ILE B 2 ? 0.3259 0.3385 0.3832 -0.0114 0.0111 0.0123 2 ILE B CD1 1306 N N . LEU B 3 ? 0.3065 0.2849 0.3690 -0.0249 0.0101 -0.0080 3 LEU B N 1307 C CA . LEU B 3 ? 0.3064 0.2847 0.3690 -0.0295 0.0057 -0.0164 3 LEU B CA 1308 C C . LEU B 3 ? 0.3039 0.2854 0.3593 -0.0252 -0.0017 -0.0165 3 LEU B C 1309 O O . LEU B 3 ? 0.3001 0.2763 0.3480 -0.0202 -0.0004 -0.0113 3 LEU B O 1310 C CB . LEU B 3 ? 0.3328 0.2962 0.3931 -0.0340 0.0129 -0.0195 3 LEU B CB 1311 C CG . LEU B 3 ? 0.3390 0.2950 0.4056 -0.0395 0.0223 -0.0194 3 LEU B CG 1312 C CD1 . LEU B 3 ? 0.3793 0.3162 0.4420 -0.0439 0.0310 -0.0229 3 LEU B CD1 1313 C CD2 . LEU B 3 ? 0.3268 0.2964 0.4042 -0.0466 0.0194 -0.0251 3 LEU B CD2 1314 N N . THR B 4 ? 0.2828 0.2739 0.3404 -0.0271 -0.0090 -0.0221 4 THR B N 1315 C CA . THR B 4 ? 0.2823 0.2764 0.3327 -0.0234 -0.0161 -0.0223 4 THR B CA 1316 C C . THR B 4 ? 0.2843 0.2682 0.3263 -0.0243 -0.0142 -0.0244 4 THR B C 1317 O O . THR B 4 ? 0.2723 0.2513 0.3155 -0.0301 -0.0107 -0.0301 4 THR B O 1318 C CB . THR B 4 ? 0.2819 0.2898 0.3373 -0.0252 -0.0233 -0.0276 4 THR B CB 1319 O OG1 . THR B 4 ? 0.2933 0.3105 0.3557 -0.0222 -0.0250 -0.0251 4 THR B OG1 1320 C CG2 . THR B 4 ? 0.3023 0.3125 0.3491 -0.0217 -0.0301 -0.0279 4 THR B CG2 1321 N N . GLY B 5 ? 0.2717 0.2525 0.3051 -0.0193 -0.0157 -0.0203 5 GLY B N 1322 C CA . GLY B 5 ? 0.2816 0.2550 0.3066 -0.0197 -0.0147 -0.0229 5 GLY B CA 1323 C C . GLY B 5 ? 0.2961 0.2566 0.3188 -0.0187 -0.0056 -0.0205 5 GLY B C 1324 O O . GLY B 5 ? 0.3059 0.2590 0.3216 -0.0180 -0.0032 -0.0223 5 GLY B O 1325 N N . VAL B 6 ? 0.2911 0.2491 0.3193 -0.0179 0.0000 -0.0160 6 VAL B N 1326 C CA . VAL B 6 ? 0.2893 0.2350 0.3159 -0.0154 0.0097 -0.0118 6 VAL B CA 1327 C C . VAL B 6 ? 0.2781 0.2279 0.3015 -0.0075 0.0111 -0.0019 6 VAL B C 1328 O O . VAL B 6 ? 0.2348 0.1952 0.2607 -0.0064 0.0073 0.0017 6 VAL B O 1329 C CB . VAL B 6 ? 0.3005 0.2408 0.3349 -0.0199 0.0163 -0.0126 6 VAL B CB 1330 C CG1 . VAL B 6 ? 0.3130 0.2398 0.3454 -0.0153 0.0273 -0.0057 6 VAL B CG1 1331 C CG2 . VAL B 6 ? 0.3180 0.2553 0.3553 -0.0291 0.0160 -0.0234 6 VAL B CG2 1332 N N . PRO B 7 ? 0.2845 0.2270 0.3023 -0.0022 0.0169 0.0023 7 PRO B N 1333 C CA . PRO B 7 ? 0.2756 0.2269 0.2909 0.0047 0.0174 0.0114 7 PRO B CA 1334 C C . PRO B 7 ? 0.2799 0.2344 0.2993 0.0082 0.0227 0.0195 7 PRO B C 1335 O O . PRO B 7 ? 0.2580 0.2010 0.2794 0.0093 0.0309 0.0215 7 PRO B O 1336 C CB . PRO B 7 ? 0.2783 0.2231 0.2872 0.0099 0.0220 0.0130 7 PRO B CB 1337 C CG . PRO B 7 ? 0.3104 0.2370 0.3189 0.0068 0.0285 0.0066 7 PRO B CG 1338 C CD . PRO B 7 ? 0.3036 0.2313 0.3170 -0.0024 0.0232 -0.0019 7 PRO B CD 1339 N N . TYR B 8 ? 0.2588 0.2281 0.2788 0.0093 0.0185 0.0238 8 TYR B N 1340 C CA . TYR B 8 ? 0.2684 0.2449 0.2906 0.0132 0.0229 0.0323 8 TYR B CA 1341 C C . TYR B 8 ? 0.2666 0.2592 0.2849 0.0181 0.0214 0.0392 8 TYR B C 1342 O O . TYR B 8 ? 0.2467 0.2467 0.2618 0.0159 0.0154 0.0362 8 TYR B O 1343 C CB . TYR B 8 ? 0.2621 0.2451 0.2891 0.0081 0.0193 0.0298 8 TYR B CB 1344 C CG . TYR B 8 ? 0.2737 0.2464 0.3064 0.0027 0.0209 0.0238 8 TYR B CG 1345 C CD1 . TYR B 8 ? 0.2663 0.2328 0.3029 0.0029 0.0286 0.0276 8 TYR B CD1 1346 C CD2 . TYR B 8 ? 0.2646 0.2356 0.2990 -0.0028 0.0148 0.0147 8 TYR B CD2 1347 C CE1 . TYR B 8 ? 0.3004 0.2588 0.3430 -0.0038 0.0305 0.0213 8 TYR B CE1 1348 C CE2 . TYR B 8 ? 0.2919 0.2578 0.3324 -0.0086 0.0157 0.0087 8 TYR B CE2 1349 C CZ . TYR B 8 ? 0.3002 0.2597 0.3451 -0.0098 0.0237 0.0114 8 TYR B CZ 1350 O OH . TYR B 8 ? 0.3095 0.2657 0.3610 -0.0170 0.0246 0.0047 8 TYR B OH 1351 N N . TYR B 9 ? 0.2497 0.2489 0.2681 0.0243 0.0270 0.0487 9 TYR B N 1352 C CA . TYR B 9 ? 0.2545 0.2750 0.2704 0.0275 0.0249 0.0550 9 TYR B CA 1353 C C . TYR B 9 ? 0.2566 0.2886 0.2740 0.0224 0.0214 0.0540 9 TYR B C 1354 O O . TYR B 9 ? 0.2653 0.2921 0.2862 0.0216 0.0246 0.0549 9 TYR B O 1355 C CB . TYR B 9 ? 0.2632 0.2896 0.2782 0.0378 0.0324 0.0668 9 TYR B CB 1356 C CG . TYR B 9 ? 0.2856 0.3011 0.2986 0.0446 0.0376 0.0689 9 TYR B CG 1357 C CD1 . TYR B 9 ? 0.3105 0.3364 0.3205 0.0464 0.0346 0.0686 9 TYR B CD1 1358 C CD2 . TYR B 9 ? 0.3136 0.3078 0.3274 0.0492 0.0468 0.0712 9 TYR B CD2 1359 C CE1 . TYR B 9 ? 0.2893 0.3054 0.2973 0.0532 0.0401 0.0703 9 TYR B CE1 1360 C CE2 . TYR B 9 ? 0.3486 0.3310 0.3597 0.0559 0.0529 0.0726 9 TYR B CE2 1361 C CZ . TYR B 9 ? 0.3565 0.3508 0.3648 0.0583 0.0493 0.0722 9 TYR B CZ 1362 O OH . TYR B 9 ? 0.3605 0.3439 0.3659 0.0653 0.0558 0.0733 9 TYR B OH 1363 N N . ILE B 10 ? 0.2430 0.2900 0.2576 0.0185 0.0157 0.0517 10 ILE B N 1364 C CA . ILE B 10 ? 0.2468 0.3062 0.2612 0.0140 0.0134 0.0506 10 ILE B CA 1365 C C . ILE B 10 ? 0.2496 0.3301 0.2619 0.0192 0.0162 0.0603 10 ILE B C 1366 O O . ILE B 10 ? 0.2549 0.3487 0.2645 0.0214 0.0151 0.0635 10 ILE B O 1367 C CB . ILE B 10 ? 0.2404 0.3050 0.2514 0.0064 0.0069 0.0428 10 ILE B CB 1368 C CG1 . ILE B 10 ? 0.2478 0.2942 0.2601 0.0028 0.0037 0.0346 10 ILE B CG1 1369 C CG2 . ILE B 10 ? 0.2533 0.3298 0.2632 0.0014 0.0059 0.0408 10 ILE B CG2 1370 C CD1 . ILE B 10 ? 0.2939 0.3416 0.3017 -0.0029 -0.0012 0.0287 10 ILE B CD1 1371 N N . LEU B 11 ? 0.2310 0.3164 0.2446 0.0214 0.0198 0.0655 11 LEU B N 1372 C CA . LEU B 11 ? 0.2372 0.3461 0.2482 0.0268 0.0221 0.0757 11 LEU B CA 1373 C C . LEU B 11 ? 0.2450 0.3688 0.2539 0.0208 0.0201 0.0733 11 LEU B C 1374 O O . LEU B 11 ? 0.2341 0.3459 0.2454 0.0164 0.0204 0.0678 11 LEU B O 1375 C CB . LEU B 11 ? 0.2417 0.3439 0.2545 0.0373 0.0304 0.0871 11 LEU B CB 1376 C CG . LEU B 11 ? 0.2394 0.3266 0.2531 0.0444 0.0344 0.0901 11 LEU B CG 1377 C CD1 . LEU B 11 ? 0.2875 0.3594 0.3027 0.0534 0.0442 0.0995 11 LEU B CD1 1378 C CD2 . LEU B 11 ? 0.2898 0.3981 0.3010 0.0496 0.0326 0.0953 11 LEU B CD2 1379 N N . PRO B 12 ? 0.2461 0.3978 0.2508 0.0204 0.0184 0.0771 12 PRO B N 1380 C CA . PRO B 12 ? 0.2462 0.4125 0.2480 0.0156 0.0180 0.0758 12 PRO B CA 1381 C C . PRO B 12 ? 0.2620 0.4201 0.2662 0.0220 0.0243 0.0836 12 PRO B C 1382 O O . PRO B 12 ? 0.2427 0.3940 0.2489 0.0317 0.0295 0.0937 12 PRO B O 1383 C CB . PRO B 12 ? 0.2529 0.4534 0.2501 0.0174 0.0166 0.0825 12 PRO B CB 1384 C CG . PRO B 12 ? 0.2390 0.4418 0.2371 0.0192 0.0143 0.0826 12 PRO B CG 1385 C CD . PRO B 12 ? 0.2574 0.4305 0.2602 0.0259 0.0179 0.0845 12 PRO B CD 1386 N N . SER B 13 ? 0.2767 0.4340 0.2805 0.0165 0.0247 0.0790 13 SER B N 1387 C CA . SER B 13 ? 0.3188 0.4688 0.3247 0.0211 0.0311 0.0859 13 SER B CA 1388 C C . SER B 13 ? 0.3412 0.5081 0.3439 0.0312 0.0362 0.1015 13 SER B C 1389 O O . SER B 13 ? 0.3599 0.5145 0.3646 0.0377 0.0433 0.1101 13 SER B O 1390 C CB . SER B 13 ? 0.3181 0.4685 0.3236 0.0134 0.0307 0.0781 13 SER B CB 1391 O OG A SER B 13 ? 0.3301 0.5064 0.3286 0.0090 0.0280 0.0763 13 SER B OG 1392 O OG B SER B 13 ? 0.3139 0.4465 0.3233 0.0066 0.0272 0.0656 13 SER B OG 1393 N N . THR B 14 ? 0.3539 0.5492 0.3515 0.0326 0.0329 0.1054 14 THR B N 1394 C CA . THR B 14 ? 0.3881 0.6055 0.3820 0.0427 0.0370 0.1208 14 THR B CA 1395 C C . THR B 14 ? 0.3887 0.6216 0.3824 0.0521 0.0367 0.1303 14 THR B C 1396 O O . THR B 14 ? 0.3997 0.6574 0.3900 0.0613 0.0390 0.1437 14 THR B O 1397 C CB . THR B 14 ? 0.3941 0.6402 0.3814 0.0368 0.0345 0.1192 14 THR B CB 1398 O OG1 . THR B 14 ? 0.4229 0.6856 0.4072 0.0263 0.0269 0.1075 14 THR B OG1 1399 C CG2 . THR B 14 ? 0.4102 0.6407 0.3982 0.0308 0.0374 0.1132 14 THR B CG2 1400 N N . SER B 15 ? 0.3763 0.5957 0.3733 0.0506 0.0341 0.1241 15 SER B N 1401 C CA . SER B 15 ? 0.3827 0.6154 0.3803 0.0600 0.0345 0.1326 15 SER B CA 1402 C C . SER B 15 ? 0.3775 0.5791 0.3797 0.0635 0.0373 0.1303 15 SER B C 1403 O O . SER B 15 ? 0.3542 0.5276 0.3590 0.0567 0.0371 0.1203 15 SER B O 1404 C CB . SER B 15 ? 0.3794 0.6442 0.3743 0.0524 0.0266 0.1268 15 SER B CB 1405 O OG A SER B 15 ? 0.3963 0.6813 0.3863 0.0426 0.0230 0.1212 15 SER B OG 1406 O OG B SER B 15 ? 0.3558 0.6063 0.3526 0.0436 0.0222 0.1142 15 SER B OG 1407 N N . ARG B 16 ? 0.3805 0.5896 0.3837 0.0745 0.0400 0.1395 16 ARG B N 1408 C CA . ARG B 16 ? 0.3903 0.5722 0.3966 0.0787 0.0435 0.1376 16 ARG B CA 1409 C C . ARG B 16 ? 0.3641 0.5589 0.3707 0.0743 0.0371 0.1308 16 ARG B C 1410 O O . ARG B 16 ? 0.3590 0.5390 0.3673 0.0787 0.0395 0.1302 16 ARG B O 1411 C CB . ARG B 16 ? 0.4288 0.6031 0.4355 0.0959 0.0539 0.1535 16 ARG B CB 1412 C CG . ARG B 16 ? 0.5117 0.6434 0.5205 0.0978 0.0616 0.1507 16 ARG B CG 1413 C CD . ARG B 16 ? 0.6055 0.7173 0.6143 0.0957 0.0675 0.1524 16 ARG B CD 1414 N NE . ARG B 16 ? 0.6557 0.7318 0.6672 0.0877 0.0695 0.1407 16 ARG B NE 1415 C CZ . ARG B 16 ? 0.6872 0.7410 0.7001 0.0841 0.0753 0.1396 16 ARG B CZ 1416 N NH1 . ARG B 16 ? 0.7119 0.7718 0.7232 0.0884 0.0806 0.1501 16 ARG B NH1 1417 N NH2 . ARG B 16 ? 0.7025 0.7290 0.7183 0.0759 0.0759 0.1279 16 ARG B NH2 1418 N N . ALA B 17 ? 0.3382 0.5598 0.3426 0.0645 0.0296 0.1250 17 ALA B N 1419 C CA . ALA B 17 ? 0.3251 0.5599 0.3293 0.0572 0.0237 0.1173 17 ALA B CA 1420 C C . ALA B 17 ? 0.3021 0.5098 0.3062 0.0448 0.0197 0.1019 17 ALA B C 1421 O O . ALA B 17 ? 0.2847 0.4935 0.2865 0.0329 0.0152 0.0923 17 ALA B O 1422 C CB . ALA B 17 ? 0.3279 0.6021 0.3291 0.0504 0.0183 0.1168 17 ALA B CB 1423 N N . GLY B 18 ? 0.2972 0.4812 0.3032 0.0484 0.0219 0.1001 18 GLY B N 1424 C CA . GLY B 18 ? 0.2818 0.4410 0.2877 0.0389 0.0185 0.0874 18 GLY B CA 1425 C C . GLY B 18 ? 0.2892 0.4588 0.2928 0.0303 0.0130 0.0799 18 GLY B C 1426 O O . GLY B 18 ? 0.2867 0.4854 0.2888 0.0274 0.0106 0.0817 18 GLY B O 1427 N N . PHE B 19 ? 0.2714 0.4180 0.2745 0.0257 0.0112 0.0715 19 PHE B N 1428 C CA . PHE B 19 ? 0.2686 0.4179 0.2685 0.0154 0.0062 0.0629 19 PHE B CA 1429 C C . PHE B 19 ? 0.2691 0.4037 0.2685 0.0177 0.0068 0.0609 19 PHE B C 1430 O O . PHE B 19 ? 0.2629 0.3758 0.2637 0.0234 0.0096 0.0611 19 PHE B O 1431 C CB . PHE B 19 ? 0.2711 0.4068 0.2689 0.0047 0.0025 0.0528 19 PHE B CB 1432 C CG . PHE B 19 ? 0.2762 0.4249 0.2734 0.0010 0.0022 0.0527 19 PHE B CG 1433 C CD1 . PHE B 19 ? 0.2884 0.4590 0.2818 -0.0079 -0.0002 0.0494 19 PHE B CD1 1434 C CD2 . PHE B 19 ? 0.2859 0.4266 0.2860 0.0059 0.0049 0.0561 19 PHE B CD2 1435 C CE1 . PHE B 19 ? 0.2731 0.4577 0.2648 -0.0117 -0.0002 0.0488 19 PHE B CE1 1436 C CE2 . PHE B 19 ? 0.3116 0.4662 0.3105 0.0031 0.0052 0.0568 19 PHE B CE2 1437 C CZ . PHE B 19 ? 0.2908 0.4673 0.2852 -0.0055 0.0024 0.0529 19 PHE B CZ 1438 N N . SER B 20 ? 0.2639 0.4102 0.2605 0.0120 0.0043 0.0581 20 SER B N 1439 C CA . SER B 20 ? 0.2710 0.4064 0.2659 0.0130 0.0047 0.0559 20 SER B CA 1440 C C . SER B 20 ? 0.2693 0.4071 0.2596 0.0011 0.0007 0.0486 20 SER B C 1441 O O . SER B 20 ? 0.2737 0.4323 0.2630 -0.0062 -0.0008 0.0478 20 SER B O 1442 C CB . SER B 20 ? 0.2853 0.4381 0.2823 0.0226 0.0087 0.0643 20 SER B CB 1443 O OG . SER B 20 ? 0.3008 0.4479 0.2953 0.0218 0.0089 0.0615 20 SER B OG 1444 N N . PRO B 21 ? 0.2642 0.3815 0.2513 -0.0011 -0.0004 0.0435 21 PRO B N 1445 C CA . PRO B 21 ? 0.2658 0.3846 0.2477 -0.0106 -0.0024 0.0387 21 PRO B CA 1446 C C . PRO B 21 ? 0.2612 0.4068 0.2440 -0.0104 -0.0006 0.0432 21 PRO B C 1447 O O . PRO B 21 ? 0.2547 0.4091 0.2410 0.0000 0.0026 0.0498 21 PRO B O 1448 C CB . PRO B 21 ? 0.2685 0.3641 0.2472 -0.0082 -0.0028 0.0358 21 PRO B CB 1449 C CG . PRO B 21 ? 0.2917 0.3702 0.2736 -0.0022 -0.0027 0.0354 21 PRO B CG 1450 C CD . PRO B 21 ? 0.2669 0.3598 0.2543 0.0046 0.0005 0.0420 21 PRO B CD 1451 N N . ASP B 22 ? 0.2654 0.4248 0.2453 -0.0217 -0.0018 0.0398 22 ASP B N 1452 C CA . ASP B 22 ? 0.2812 0.4711 0.2628 -0.0232 -0.0003 0.0435 22 ASP B CA 1453 C C . ASP B 22 ? 0.2736 0.4621 0.2553 -0.0163 0.0023 0.0469 22 ASP B C 1454 O O . ASP B 22 ? 0.2757 0.4879 0.2619 -0.0090 0.0048 0.0536 22 ASP B O 1455 C CB . ASP B 22 ? 0.2986 0.4992 0.2759 -0.0394 -0.0014 0.0372 22 ASP B CB 1456 C CG . ASP B 22 ? 0.3762 0.6095 0.3564 -0.0443 -0.0020 0.0383 22 ASP B CG 1457 O OD1 . ASP B 22 ? 0.4060 0.6559 0.3916 -0.0336 -0.0017 0.0457 22 ASP B OD1 1458 O OD2 . ASP B 22 ? 0.4613 0.7042 0.4377 -0.0591 -0.0023 0.0318 22 ASP B OD2 1459 N N . ASN B 23 ? 0.2625 0.4246 0.2390 -0.0176 0.0019 0.0427 23 ASN B N 1460 C CA . ASN B 23 ? 0.2767 0.4380 0.2517 -0.0129 0.0045 0.0447 23 ASN B CA 1461 C C . ASN B 23 ? 0.2750 0.4383 0.2549 0.0024 0.0081 0.0510 23 ASN B C 1462 O O . ASN B 23 ? 0.2711 0.4473 0.2524 0.0086 0.0118 0.0551 23 ASN B O 1463 C CB . ASN B 23 ? 0.2694 0.4029 0.2370 -0.0167 0.0032 0.0393 23 ASN B CB 1464 C CG . ASN B 23 ? 0.2881 0.3976 0.2554 -0.0079 0.0028 0.0385 23 ASN B CG 1465 O OD1 . ASN B 23 ? 0.2945 0.4006 0.2619 0.0007 0.0057 0.0405 23 ASN B OD1 1466 N ND2 . ASN B 23 ? 0.2414 0.3345 0.2083 -0.0105 -0.0004 0.0349 23 ASN B ND2 1467 N N . LEU B 24 ? 0.2785 0.4286 0.2609 0.0083 0.0079 0.0519 24 LEU B N 1468 C CA . LEU B 24 ? 0.2994 0.4467 0.2856 0.0223 0.0127 0.0578 24 LEU B CA 1469 C C . LEU B 24 ? 0.3181 0.4960 0.3104 0.0294 0.0154 0.0669 24 LEU B C 1470 O O . LEU B 24 ? 0.3191 0.5023 0.3142 0.0420 0.0210 0.0736 24 LEU B O 1471 C CB . LEU B 24 ? 0.2982 0.4201 0.2847 0.0254 0.0125 0.0556 24 LEU B CB 1472 C CG . LEU B 24 ? 0.3008 0.3945 0.2822 0.0217 0.0105 0.0479 24 LEU B CG 1473 C CD1 . LEU B 24 ? 0.3236 0.3984 0.3075 0.0254 0.0114 0.0467 24 LEU B CD1 1474 C CD2 . LEU B 24 ? 0.3112 0.3983 0.2886 0.0262 0.0139 0.0470 24 LEU B CD2 1475 N N . ARG B 25 ? 0.3315 0.5303 0.3254 0.0218 0.0120 0.0671 25 ARG B N 1476 C CA . ARG B 25 ? 0.3534 0.5879 0.3528 0.0278 0.0137 0.0759 25 ARG B CA 1477 C C . ARG B 25 ? 0.3605 0.6183 0.3615 0.0294 0.0160 0.0788 25 ARG B C 1478 O O . ARG B 25 ? 0.3713 0.6467 0.3772 0.0427 0.0206 0.0880 25 ARG B O 1479 C CB . ARG B 25 ? 0.3579 0.6135 0.3576 0.0172 0.0093 0.0740 25 ARG B CB 1480 C CG . ARG B 25 ? 0.3914 0.6315 0.3904 0.0167 0.0078 0.0726 25 ARG B CG 1481 C CD . ARG B 25 ? 0.4600 0.7282 0.4592 0.0079 0.0045 0.0719 25 ARG B CD 1482 N NE . ARG B 25 ? 0.5128 0.8122 0.5168 0.0186 0.0065 0.0830 25 ARG B NE 1483 C CZ . ARG B 25 ? 0.5327 0.8544 0.5370 0.0159 0.0045 0.0851 25 ARG B CZ 1484 N NH1 . ARG B 25 ? 0.5144 0.8306 0.5144 0.0019 0.0009 0.0757 25 ARG B NH1 1485 N NH2 . ARG B 25 ? 0.5328 0.8832 0.5413 0.0280 0.0067 0.0970 25 ARG B NH2 1486 N N . LYS B 26 ? 0.3624 0.6197 0.3594 0.0165 0.0136 0.0715 26 LYS B N 1487 C CA . LYS B 26 ? 0.3631 0.6432 0.3614 0.0154 0.0158 0.0733 26 LYS B CA 1488 C C . LYS B 26 ? 0.3617 0.6283 0.3597 0.0283 0.0212 0.0764 26 LYS B C 1489 O O . LYS B 26 ? 0.3585 0.6484 0.3604 0.0353 0.0251 0.0821 26 LYS B O 1490 C CB . LYS B 26 ? 0.3682 0.6457 0.3609 -0.0026 0.0128 0.0645 26 LYS B CB 1491 C CG . LYS B 26 ? 0.4075 0.6960 0.3992 -0.0171 0.0086 0.0595 26 LYS B CG 1492 C CD . LYS B 26 ? 0.4810 0.7521 0.4650 -0.0339 0.0072 0.0502 26 LYS B CD 1493 C CE . LYS B 26 ? 0.5126 0.7975 0.4951 -0.0497 0.0048 0.0444 26 LYS B CE 1494 N NZ . LYS B 26 ? 0.5450 0.8190 0.5204 -0.0660 0.0058 0.0368 26 LYS B NZ 1495 N N . ASN B 27 ? 0.3624 0.5923 0.3557 0.0314 0.0218 0.0725 27 ASN B N 1496 C CA . ASN B 27 ? 0.3696 0.5828 0.3614 0.0434 0.0276 0.0740 27 ASN B CA 1497 C C . ASN B 27 ? 0.3709 0.5922 0.3599 0.0412 0.0300 0.0724 27 ASN B C 1498 O O . ASN B 27 ? 0.3657 0.5874 0.3555 0.0528 0.0363 0.0760 27 ASN B O 1499 C CB . ASN B 27 ? 0.3823 0.6019 0.3799 0.0611 0.0340 0.0837 27 ASN B CB 1500 C CG . ASN B 27 ? 0.4203 0.6085 0.4144 0.0716 0.0405 0.0824 27 ASN B CG 1501 O OD1 . ASN B 27 ? 0.3865 0.5447 0.3763 0.0678 0.0387 0.0761 27 ASN B OD1 1502 N ND2 . ASN B 27 ? 0.4783 0.6743 0.4741 0.0844 0.0482 0.0879 27 ASN B ND2 1503 N N . THR B 28 ? 0.3646 0.5909 0.3498 0.0262 0.0258 0.0670 28 THR B N 1504 C CA . THR B 28 ? 0.3871 0.6152 0.3679 0.0228 0.0282 0.0648 28 THR B CA 1505 C C . THR B 28 ? 0.3801 0.5851 0.3516 0.0092 0.0242 0.0568 28 THR B C 1506 O O . THR B 28 ? 0.3683 0.5652 0.3382 -0.0005 0.0194 0.0532 28 THR B O 1507 C CB . THR B 28 ? 0.3841 0.6521 0.3704 0.0192 0.0299 0.0689 28 THR B CB 1508 O OG1 . THR B 28 ? 0.3984 0.6829 0.3870 0.0066 0.0250 0.0673 28 THR B OG1 1509 C CG2 . THR B 28 ? 0.4226 0.7143 0.4173 0.0362 0.0356 0.0782 28 THR B CG2 1510 N N . SER B 29 ? 0.3836 0.5791 0.3487 0.0093 0.0268 0.0547 29 SER B N 1511 C CA . SER B 29 ? 0.3870 0.5617 0.3423 -0.0015 0.0240 0.0489 29 SER B CA 1512 C C . SER B 29 ? 0.3741 0.5601 0.3286 -0.0171 0.0214 0.0473 29 SER B C 1513 O O . SER B 29 ? 0.3718 0.5870 0.3311 -0.0217 0.0236 0.0498 29 SER B O 1514 C CB . SER B 29 ? 0.4040 0.5750 0.3528 0.0013 0.0282 0.0484 29 SER B CB 1515 O OG . SER B 29 ? 0.4552 0.5986 0.3934 -0.0033 0.0255 0.0436 29 SER B OG 1516 N N . GLN B 30 ? 0.3639 0.5270 0.3124 -0.0252 0.0174 0.0429 30 GLN B N 1517 C CA . GLN B 30 ? 0.3676 0.5336 0.3133 -0.0404 0.0162 0.0401 30 GLN B CA 1518 C C . GLN B 30 ? 0.3758 0.5190 0.3102 -0.0471 0.0166 0.0377 30 GLN B C 1519 O O . GLN B 30 ? 0.3841 0.5031 0.3131 -0.0408 0.0146 0.0366 30 GLN B O 1520 C CB . GLN B 30 ? 0.3638 0.5211 0.3117 -0.0438 0.0122 0.0375 30 GLN B CB 1521 C CG . GLN B 30 ? 0.3949 0.5727 0.3526 -0.0373 0.0114 0.0404 30 GLN B CG 1522 C CD . GLN B 30 ? 0.4567 0.6719 0.4202 -0.0431 0.0135 0.0428 30 GLN B CD 1523 O OE1 . GLN B 30 ? 0.4667 0.6898 0.4270 -0.0574 0.0144 0.0395 30 GLN B OE1 1524 N NE2 . GLN B 30 ? 0.4786 0.7174 0.4505 -0.0320 0.0147 0.0487 30 GLN B NE2 1525 N N . PRO B 31 ? 0.3699 0.5211 0.3004 -0.0602 0.0195 0.0370 31 PRO B N 1526 C CA . PRO B 31 ? 0.3774 0.5059 0.2962 -0.0675 0.0209 0.0359 31 PRO B CA 1527 C C . PRO B 31 ? 0.3728 0.4723 0.2863 -0.0695 0.0174 0.0332 31 PRO B C 1528 O O . PRO B 31 ? 0.3719 0.4485 0.2760 -0.0680 0.0171 0.0338 31 PRO B O 1529 C CB . PRO B 31 ? 0.3907 0.5358 0.3086 -0.0830 0.0254 0.0351 31 PRO B CB 1530 C CG . PRO B 31 ? 0.3910 0.5738 0.3206 -0.0811 0.0264 0.0368 31 PRO B CG 1531 C CD . PRO B 31 ? 0.3753 0.5588 0.3123 -0.0693 0.0220 0.0374 31 PRO B CD 1532 N N . SER B 32 ? 0.3629 0.4655 0.2821 -0.0726 0.0153 0.0306 32 SER B N 1533 C CA . SER B 32 ? 0.3724 0.4506 0.2886 -0.0728 0.0123 0.0280 32 SER B CA 1534 C C . SER B 32 ? 0.3657 0.4570 0.2905 -0.0746 0.0104 0.0255 32 SER B C 1535 O O . SER B 32 ? 0.3524 0.4716 0.2838 -0.0778 0.0116 0.0260 32 SER B O 1536 C CB . SER B 32 ? 0.3904 0.4487 0.2965 -0.0841 0.0155 0.0265 32 SER B CB 1537 O OG . SER B 32 ? 0.4232 0.4959 0.3304 -0.0984 0.0195 0.0236 32 SER B OG 1538 N N . CYS B 33 ? 0.3653 0.4383 0.2899 -0.0721 0.0075 0.0233 33 CYS B N 1539 C CA . CYS B 33 ? 0.3670 0.4507 0.2988 -0.0728 0.0057 0.0211 33 CYS B CA 1540 C C . CYS B 33 ? 0.3724 0.4354 0.2993 -0.0799 0.0061 0.0165 33 CYS B C 1541 O O . CYS B 33 ? 0.3802 0.4277 0.3084 -0.0731 0.0032 0.0159 33 CYS B O 1542 C CB . CYS B 33 ? 0.3628 0.4467 0.3013 -0.0588 0.0021 0.0234 33 CYS B CB 1543 S SG . CYS B 33 ? 0.3943 0.4981 0.3385 -0.0474 0.0031 0.0288 33 CYS B SG 1544 N N . PRO B 34 ? 0.3804 0.4430 0.3020 -0.0942 0.0104 0.0130 34 PRO B N 1545 C CA . PRO B 34 ? 0.3836 0.4212 0.2987 -0.1005 0.0126 0.0086 34 PRO B CA 1546 C C . PRO B 34 ? 0.3733 0.4131 0.2938 -0.0989 0.0102 0.0049 34 PRO B C 1547 O O . PRO B 34 ? 0.3748 0.3920 0.2913 -0.0996 0.0115 0.0020 34 PRO B O 1548 C CB . PRO B 34 ? 0.4014 0.4432 0.3107 -0.1179 0.0189 0.0045 34 PRO B CB 1549 C CG . PRO B 34 ? 0.4079 0.4785 0.3210 -0.1203 0.0193 0.0073 34 PRO B CG 1550 C CD . PRO B 34 ? 0.3873 0.4756 0.3098 -0.1055 0.0138 0.0120 34 PRO B CD 1551 N N . LEU B 35 ? 0.3515 0.4187 0.2805 -0.0963 0.0075 0.0056 35 LEU B N 1552 C CA . LEU B 35 ? 0.3538 0.4275 0.2876 -0.0956 0.0057 0.0026 35 LEU B CA 1553 C C . LEU B 35 ? 0.3348 0.4322 0.2782 -0.0848 0.0020 0.0078 35 LEU B C 1554 O O . LEU B 35 ? 0.3470 0.4731 0.2945 -0.0888 0.0020 0.0080 35 LEU B O 1555 C CB . LEU B 35 ? 0.3546 0.4407 0.2855 -0.1117 0.0093 -0.0043 35 LEU B CB 1556 C CG . LEU B 35 ? 0.3707 0.4566 0.3029 -0.1133 0.0087 -0.0092 35 LEU B CG 1557 C CD1 . LEU B 35 ? 0.3894 0.4395 0.3140 -0.1160 0.0122 -0.0141 35 LEU B CD1 1558 C CD2 . LEU B 35 ? 0.3785 0.4945 0.3110 -0.1270 0.0103 -0.0144 35 LEU B CD2 1559 N N . ASP B 36 ? 0.3222 0.4078 0.2687 -0.0715 -0.0008 0.0119 36 ASP B N 1560 C CA . ASP B 36 ? 0.2907 0.3920 0.2451 -0.0602 -0.0028 0.0172 36 ASP B CA 1561 C C . ASP B 36 ? 0.2868 0.3894 0.2458 -0.0570 -0.0043 0.0163 36 ASP B C 1562 O O . ASP B 36 ? 0.2918 0.3755 0.2520 -0.0506 -0.0059 0.0159 36 ASP B O 1563 C CB . ASP B 36 ? 0.2934 0.3792 0.2478 -0.0493 -0.0040 0.0205 36 ASP B CB 1564 C CG . ASP B 36 ? 0.2877 0.3869 0.2490 -0.0380 -0.0040 0.0259 36 ASP B CG 1565 O OD1 . ASP B 36 ? 0.2991 0.4234 0.2642 -0.0376 -0.0024 0.0294 36 ASP B OD1 1566 O OD2 . ASP B 36 ? 0.2976 0.3822 0.2606 -0.0292 -0.0051 0.0269 36 ASP B OD2 1567 N N . LEU B 37 ? 0.2848 0.4118 0.2462 -0.0620 -0.0038 0.0160 37 LEU B N 1568 C CA . LEU B 37 ? 0.2735 0.4058 0.2381 -0.0605 -0.0047 0.0153 37 LEU B CA 1569 C C . LEU B 37 ? 0.2576 0.3921 0.2290 -0.0465 -0.0057 0.0220 37 LEU B C 1570 O O . LEU B 37 ? 0.2476 0.3878 0.2220 -0.0384 -0.0052 0.0277 37 LEU B O 1571 C CB . LEU B 37 ? 0.2825 0.4460 0.2472 -0.0696 -0.0040 0.0138 37 LEU B CB 1572 C CG . LEU B 37 ? 0.3314 0.4960 0.2891 -0.0862 -0.0018 0.0060 37 LEU B CG 1573 C CD1 . LEU B 37 ? 0.3638 0.5648 0.3221 -0.0961 -0.0014 0.0040 37 LEU B CD1 1574 C CD2 . LEU B 37 ? 0.3606 0.4953 0.3122 -0.0920 -0.0002 -0.0015 37 LEU B CD2 1575 N N . ILE B 38 ? 0.2612 0.3910 0.2349 -0.0441 -0.0063 0.0212 38 ILE B N 1576 C CA . ILE B 38 ? 0.2514 0.3851 0.2312 -0.0325 -0.0060 0.0278 38 ILE B CA 1577 C C . ILE B 38 ? 0.2632 0.4263 0.2448 -0.0334 -0.0054 0.0314 38 ILE B C 1578 O O . ILE B 38 ? 0.2630 0.4303 0.2425 -0.0399 -0.0057 0.0271 38 ILE B O 1579 C CB . ILE B 38 ? 0.2572 0.3683 0.2386 -0.0292 -0.0066 0.0253 38 ILE B CB 1580 C CG1 . ILE B 38 ? 0.2845 0.3699 0.2633 -0.0296 -0.0079 0.0212 38 ILE B CG1 1581 C CG2 . ILE B 38 ? 0.2208 0.3339 0.2081 -0.0182 -0.0050 0.0322 38 ILE B CG2 1582 C CD1 . ILE B 38 ? 0.3099 0.3900 0.2897 -0.0225 -0.0077 0.0249 38 ILE B CD1 1583 N N . THR B 39 ? 0.2636 0.4476 0.2487 -0.0260 -0.0043 0.0394 39 THR B N 1584 C CA . THR B 39 ? 0.2643 0.4821 0.2510 -0.0259 -0.0040 0.0443 39 THR B CA 1585 C C . THR B 39 ? 0.2632 0.4851 0.2546 -0.0118 -0.0019 0.0542 39 THR B C 1586 O O . THR B 39 ? 0.2704 0.4744 0.2647 -0.0015 0.0004 0.0586 39 THR B O 1587 C CB . THR B 39 ? 0.2560 0.5017 0.2431 -0.0289 -0.0040 0.0466 39 THR B CB 1588 O OG1 A THR B 39 ? 0.2719 0.5116 0.2622 -0.0177 -0.0020 0.0529 39 THR B OG1 1589 O OG1 B THR B 39 ? 0.2387 0.5215 0.2281 -0.0271 -0.0042 0.0525 39 THR B OG1 1590 C CG2 A THR B 39 ? 0.2768 0.5192 0.2582 -0.0452 -0.0051 0.0363 39 THR B CG2 1591 C CG2 B THR B 39 ? 0.2666 0.5051 0.2569 -0.0178 -0.0019 0.0527 39 THR B CG2 1592 N N . GLN B 40 ? 0.2826 0.5284 0.2742 -0.0122 -0.0020 0.0576 40 GLN B N 1593 C CA . GLN B 40 ? 0.2906 0.5416 0.2856 0.0009 0.0008 0.0681 40 GLN B CA 1594 C C . GLN B 40 ? 0.3053 0.5803 0.3040 0.0126 0.0032 0.0798 40 GLN B C 1595 O O . GLN B 40 ? 0.2953 0.6001 0.2940 0.0082 0.0014 0.0802 40 GLN B O 1596 C CB . GLN B 40 ? 0.2884 0.5555 0.2809 -0.0038 -0.0002 0.0675 40 GLN B CB 1597 C CG . GLN B 40 ? 0.2791 0.5406 0.2740 0.0077 0.0033 0.0764 40 GLN B CG 1598 C CD . GLN B 40 ? 0.2850 0.5615 0.2764 0.0023 0.0024 0.0749 40 GLN B CD 1599 O OE1 . GLN B 40 ? 0.2489 0.5496 0.2362 -0.0087 -0.0006 0.0691 40 GLN B OE1 1600 N NE2 . GLN B 40 ? 0.2762 0.5382 0.2687 0.0088 0.0056 0.0792 40 GLN B NE2 1601 N N . LEU B 41 ? 0.3136 0.5753 0.3156 0.0273 0.0079 0.0891 41 LEU B N 1602 C CA . LEU B 41 ? 0.3298 0.6097 0.3354 0.0418 0.0120 0.1017 41 LEU B CA 1603 C C . LEU B 41 ? 0.3514 0.6560 0.3579 0.0512 0.0143 0.1139 41 LEU B C 1604 O O . LEU B 41 ? 0.3480 0.6349 0.3548 0.0596 0.0186 0.1197 41 LEU B O 1605 C CB . LEU B 41 ? 0.3299 0.5779 0.3373 0.0526 0.0175 0.1045 41 LEU B CB 1606 C CG . LEU B 41 ? 0.3292 0.5512 0.3350 0.0450 0.0157 0.0935 41 LEU B CG 1607 C CD1 . LEU B 41 ? 0.3365 0.5313 0.3434 0.0564 0.0220 0.0968 41 LEU B CD1 1608 C CD2 . LEU B 41 ? 0.3017 0.5466 0.3069 0.0383 0.0125 0.0905 41 LEU B CD2 1609 N N . ARG B 42 ? 0.3650 0.7120 0.3718 0.0497 0.0115 0.1179 42 ARG B N 1610 C CA . ARG B 42 ? 0.4011 0.7770 0.4067 0.0541 0.0115 0.1268 42 ARG B CA 1611 C C . ARG B 42 ? 0.4160 0.8259 0.4251 0.0712 0.0149 0.1440 42 ARG B C 1612 O O . ARG B 42 ? 0.4347 0.8604 0.4426 0.0797 0.0168 0.1546 42 ARG B O 1613 C CB . ARG B 42 ? 0.4014 0.8016 0.4026 0.0361 0.0050 0.1163 42 ARG B CB 1614 C CG . ARG B 42 ? 0.4142 0.7818 0.4114 0.0222 0.0030 0.1019 42 ARG B CG 1615 C CD . ARG B 42 ? 0.4757 0.8620 0.4676 0.0114 0.0001 0.0965 42 ARG B CD 1616 N NE . ARG B 42 ? 0.5139 0.9323 0.5030 -0.0031 -0.0044 0.0885 42 ARG B NE 1617 C CZ . ARG B 42 ? 0.5382 1.0008 0.5252 -0.0052 -0.0065 0.0925 42 ARG B CZ 1618 N NH1 . ARG B 42 ? 0.5482 1.0282 0.5352 0.0076 -0.0047 0.1055 42 ARG B NH1 1619 N NH2 . ARG B 42 ? 0.5324 1.0226 0.5169 -0.0208 -0.0102 0.0832 42 ARG B NH2 1620 N N . PHE B 43 ? 0.4280 0.8500 0.4412 0.0772 0.0162 0.1475 43 PHE B N 1621 C CA . PHE B 43 ? 0.4439 0.9035 0.4613 0.0941 0.0193 0.1641 43 PHE B CA 1622 C C . PHE B 43 ? 0.4484 0.8898 0.4701 0.1114 0.0270 0.1726 43 PHE B C 1623 O O . PHE B 43 ? 0.4524 0.9024 0.4772 0.1096 0.0264 0.1692 43 PHE B O 1624 C CB . PHE B 43 ? 0.4411 0.9526 0.4600 0.0840 0.0128 0.1613 43 PHE B CB 1625 C CG . PHE B 43 ? 0.4632 0.9937 0.4768 0.0668 0.0062 0.1523 43 PHE B CG 1626 C CD1 . PHE B 43 ? 0.4799 1.0121 0.4907 0.0444 0.0006 0.1351 43 PHE B CD1 1627 C CD2 . PHE B 43 ? 0.4890 1.0333 0.4995 0.0727 0.0067 0.1608 43 PHE B CD2 1628 C CE1 . PHE B 43 ? 0.4972 1.0443 0.5021 0.0280 -0.0042 0.1256 43 PHE B CE1 1629 C CE2 . PHE B 43 ? 0.5064 1.0676 0.5110 0.0563 0.0012 0.1514 43 PHE B CE2 1630 C CZ . PHE B 43 ? 0.4912 1.0535 0.4930 0.0338 -0.0041 0.1332 43 PHE B CZ 1631 N N . PRO B 44 ? 0.4571 0.8708 0.4784 0.1273 0.0353 0.1829 44 PRO B N 1632 C CA . PRO B 44 ? 0.4591 0.8562 0.4766 0.1290 0.0374 0.1866 44 PRO B CA 1633 C C . PRO B 44 ? 0.4437 0.7965 0.4581 0.1140 0.0354 0.1707 44 PRO B C 1634 O O . PRO B 44 ? 0.4444 0.7784 0.4593 0.1050 0.0332 0.1588 44 PRO B O 1635 C CB . PRO B 44 ? 0.4782 0.8583 0.4971 0.1522 0.0489 0.2033 44 PRO B CB 1636 C CG . PRO B 44 ? 0.4862 0.8471 0.5081 0.1571 0.0531 0.2001 44 PRO B CG 1637 C CD . PRO B 44 ? 0.4668 0.8572 0.4908 0.1435 0.0443 0.1898 44 PRO B CD 1638 N N . PRO B 45 ? 0.4359 0.7745 0.4472 0.1115 0.0362 0.1708 45 PRO B N 1639 C CA . PRO B 45 ? 0.4193 0.7175 0.4288 0.0991 0.0350 0.1568 45 PRO B CA 1640 C C . PRO B 45 ? 0.4145 0.6722 0.4257 0.1056 0.0416 0.1555 45 PRO B C 1641 O O . PRO B 45 ? 0.4348 0.6806 0.4468 0.1213 0.0507 0.1675 45 PRO B O 1642 C CB . PRO B 45 ? 0.4261 0.7195 0.4330 0.1006 0.0374 0.1620 45 PRO B CB 1643 C CG . PRO B 45 ? 0.4450 0.7853 0.4505 0.1058 0.0353 0.1729 45 PRO B CG 1644 C CD . PRO B 45 ? 0.4417 0.8036 0.4508 0.1189 0.0378 0.1832 45 PRO B CD 1645 N N . ARG B 46 ? 0.3817 0.6186 0.3928 0.0939 0.0377 0.1411 46 ARG B N 1646 C CA . ARG B 46 ? 0.3736 0.5747 0.3853 0.0978 0.0430 0.1377 46 ARG B CA 1647 C C . ARG B 46 ? 0.3543 0.5245 0.3647 0.0844 0.0397 0.1238 46 ARG B C 1648 O O . ARG B 46 ? 0.3201 0.4988 0.3293 0.0714 0.0322 0.1150 46 ARG B O 1649 C CB . ARG B 46 ? 0.3781 0.5886 0.3907 0.0981 0.0414 0.1346 46 ARG B CB 1650 C CG . ARG B 46 ? 0.4317 0.6496 0.4464 0.1168 0.0500 0.1480 46 ARG B CG 1651 C CD . ARG B 46 ? 0.4638 0.7229 0.4811 0.1198 0.0469 0.1527 46 ARG B CD 1652 N NE . ARG B 46 ? 0.4582 0.7251 0.4748 0.1039 0.0389 0.1396 46 ARG B NE 1653 C CZ . ARG B 46 ? 0.4473 0.7462 0.4639 0.0922 0.0311 0.1358 46 ARG B CZ 1654 N NH1 . ARG B 46 ? 0.4291 0.7573 0.4463 0.0943 0.0294 0.1434 46 ARG B NH1 1655 N NH2 . ARG B 46 ? 0.4311 0.7327 0.4464 0.0780 0.0255 0.1243 46 ARG B NH2 1656 N N . ILE B 47 ? 0.3564 0.4919 0.3669 0.0878 0.0459 0.1221 47 ILE B N 1657 C CA . ILE B 47 ? 0.3551 0.4627 0.3655 0.0769 0.0438 0.1105 47 ILE B CA 1658 C C . ILE B 47 ? 0.3340 0.4383 0.3433 0.0637 0.0352 0.0965 47 ILE B C 1659 O O . ILE B 47 ? 0.3320 0.4273 0.3413 0.0533 0.0305 0.0876 47 ILE B O 1660 C CB . ILE B 47 ? 0.3725 0.4460 0.3833 0.0828 0.0531 0.1116 47 ILE B CB 1661 C CG1 . ILE B 47 ? 0.3920 0.4443 0.4040 0.0727 0.0518 0.1028 47 ILE B CG1 1662 C CG2 . ILE B 47 ? 0.3936 0.4521 0.4031 0.0864 0.0563 0.1079 47 ILE B CG2 1663 C CD1 . ILE B 47 ? 0.3976 0.4231 0.4103 0.0779 0.0624 0.1068 47 ILE B CD1 1664 N N . GLY B 48 ? 0.3248 0.4369 0.3330 0.0649 0.0338 0.0953 48 GLY B N 1665 C CA . GLY B 48 ? 0.3011 0.4135 0.3073 0.0534 0.0264 0.0844 48 GLY B CA 1666 C C . GLY B 48 ? 0.3022 0.3863 0.3070 0.0517 0.0274 0.0765 48 GLY B C 1667 O O . GLY B 48 ? 0.3195 0.3894 0.3243 0.0602 0.0344 0.0799 48 GLY B O 1668 N N . VAL B 49 ? 0.2813 0.3576 0.2842 0.0408 0.0209 0.0662 49 VAL B N 1669 C CA . VAL B 49 ? 0.2714 0.3256 0.2720 0.0381 0.0205 0.0584 49 VAL B CA 1670 C C . VAL B 49 ? 0.2715 0.3091 0.2733 0.0307 0.0171 0.0507 49 VAL B C 1671 O O . VAL B 49 ? 0.2687 0.3139 0.2711 0.0244 0.0123 0.0483 49 VAL B O 1672 C CB . VAL B 49 ? 0.2551 0.3170 0.2517 0.0329 0.0157 0.0539 49 VAL B CB 1673 C CG1 . VAL B 49 ? 0.2461 0.2876 0.2392 0.0318 0.0158 0.0471 49 VAL B CG1 1674 C CG2 . VAL B 49 ? 0.2432 0.3289 0.2400 0.0387 0.0182 0.0615 49 VAL B CG2 1675 N N . PRO B 50 ? 0.2769 0.2930 0.2791 0.0311 0.0199 0.0464 50 PRO B N 1676 C CA . PRO B 50 ? 0.2612 0.2671 0.2661 0.0243 0.0167 0.0400 50 PRO B CA 1677 C C . PRO B 50 ? 0.2552 0.2616 0.2579 0.0164 0.0086 0.0323 50 PRO B C 1678 O O . PRO B 50 ? 0.2399 0.2504 0.2380 0.0153 0.0058 0.0309 50 PRO B O 1679 C CB . PRO B 50 ? 0.2817 0.2667 0.2873 0.0256 0.0222 0.0367 50 PRO B CB 1680 C CG . PRO B 50 ? 0.3065 0.2874 0.3084 0.0321 0.0274 0.0392 50 PRO B CG 1681 C CD . PRO B 50 ? 0.2986 0.2997 0.2991 0.0371 0.0267 0.0466 50 PRO B CD 1682 N N . VAL B 51 ? 0.2415 0.2440 0.2476 0.0116 0.0057 0.0282 51 VAL B N 1683 C CA . VAL B 51 ? 0.2148 0.2140 0.2199 0.0059 -0.0007 0.0213 51 VAL B CA 1684 C C . VAL B 51 ? 0.2211 0.2089 0.2302 0.0034 -0.0014 0.0155 51 VAL B C 1685 O O . VAL B 51 ? 0.2273 0.2094 0.2408 0.0043 0.0034 0.0163 51 VAL B O 1686 C CB . VAL B 51 ? 0.1948 0.2039 0.2000 0.0023 -0.0041 0.0215 51 VAL B CB 1687 C CG1 . VAL B 51 ? 0.2039 0.2271 0.2053 0.0031 -0.0032 0.0263 51 VAL B CG1 1688 C CG2 . VAL B 51 ? 0.1837 0.1949 0.1949 0.0020 -0.0019 0.0227 51 VAL B CG2 1689 N N . ILE B 52 ? 0.2150 0.2005 0.2224 0.0002 -0.0070 0.0101 52 ILE B N 1690 C CA . ILE B 52 ? 0.2168 0.1971 0.2285 -0.0028 -0.0093 0.0041 52 ILE B CA 1691 C C . ILE B 52 ? 0.2042 0.1895 0.2180 -0.0047 -0.0145 0.0024 52 ILE B C 1692 O O . ILE B 52 ? 0.1970 0.1844 0.2057 -0.0045 -0.0178 0.0032 52 ILE B O 1693 C CB . ILE B 52 ? 0.2315 0.2056 0.2388 -0.0039 -0.0110 -0.0010 52 ILE B CB 1694 C CG1 . ILE B 52 ? 0.2450 0.2103 0.2512 -0.0023 -0.0038 -0.0008 52 ILE B CG1 1695 C CG2 . ILE B 52 ? 0.2293 0.2042 0.2409 -0.0077 -0.0155 -0.0073 52 ILE B CG2 1696 C CD1 . ILE B 52 ? 0.2737 0.2337 0.2726 -0.0026 -0.0043 -0.0053 52 ILE B CD1 1697 N N . PHE B 53 ? 0.1843 0.1706 0.2057 -0.0064 -0.0143 0.0001 53 PHE B N 1698 C CA . PHE B 53 ? 0.1925 0.1833 0.2170 -0.0070 -0.0184 -0.0018 53 PHE B CA 1699 C C . PHE B 53 ? 0.1907 0.1826 0.2173 -0.0078 -0.0233 -0.0067 53 PHE B C 1700 O O . PHE B 53 ? 0.2274 0.2193 0.2584 -0.0104 -0.0227 -0.0104 53 PHE B O 1701 C CB . PHE B 53 ? 0.1857 0.1805 0.2177 -0.0078 -0.0151 -0.0009 53 PHE B CB 1702 C CG . PHE B 53 ? 0.2125 0.2097 0.2421 -0.0068 -0.0106 0.0044 53 PHE B CG 1703 C CD1 . PHE B 53 ? 0.2046 0.2059 0.2291 -0.0065 -0.0117 0.0062 53 PHE B CD1 1704 C CD2 . PHE B 53 ? 0.1935 0.1892 0.2254 -0.0061 -0.0050 0.0078 53 PHE B CD2 1705 C CE1 . PHE B 53 ? 0.2055 0.2133 0.2275 -0.0062 -0.0082 0.0108 53 PHE B CE1 1706 C CE2 . PHE B 53 ? 0.2381 0.2393 0.2675 -0.0039 -0.0011 0.0140 53 PHE B CE2 1707 C CZ . PHE B 53 ? 0.2098 0.2189 0.2345 -0.0042 -0.0032 0.0152 53 PHE B CZ 1708 N N . THR B 54 ? 0.2130 0.2066 0.2364 -0.0056 -0.0278 -0.0065 54 THR B N 1709 C CA . THR B 54 ? 0.2398 0.2380 0.2652 -0.0047 -0.0331 -0.0096 54 THR B CA 1710 C C . THR B 54 ? 0.2195 0.2221 0.2496 -0.0015 -0.0347 -0.0088 54 THR B C 1711 O O . THR B 54 ? 0.2526 0.2508 0.2770 0.0015 -0.0350 -0.0059 54 THR B O 1712 C CB . THR B 54 ? 0.2495 0.2449 0.2650 -0.0030 -0.0367 -0.0089 54 THR B CB 1713 O OG1 . THR B 54 ? 0.3030 0.2936 0.3137 -0.0052 -0.0340 -0.0095 54 THR B OG1 1714 C CG2 . THR B 54 ? 0.2730 0.2766 0.2906 -0.0023 -0.0423 -0.0122 54 THR B CG2 1715 N N . PRO B 55 ? 0.2381 0.2491 0.2785 -0.0023 -0.0349 -0.0115 55 PRO B N 1716 C CA . PRO B 55 ? 0.2363 0.2526 0.2823 0.0017 -0.0355 -0.0108 55 PRO B CA 1717 C C . PRO B 55 ? 0.2565 0.2743 0.2982 0.0075 -0.0404 -0.0091 55 PRO B C 1718 O O . PRO B 55 ? 0.2510 0.2722 0.2893 0.0071 -0.0446 -0.0100 55 PRO B O 1719 C CB . PRO B 55 ? 0.2464 0.2742 0.3045 -0.0013 -0.0353 -0.0146 55 PRO B CB 1720 C CG . PRO B 55 ? 0.2387 0.2614 0.2967 -0.0075 -0.0312 -0.0160 55 PRO B CG 1721 C CD . PRO B 55 ? 0.2137 0.2286 0.2611 -0.0076 -0.0330 -0.0154 55 PRO B CD 1722 N N . GLN B 56 ? 0.2568 0.2714 0.2977 0.0129 -0.0392 -0.0064 56 GLN B N 1723 C CA . GLN B 56 ? 0.2928 0.3084 0.3305 0.0204 -0.0427 -0.0033 56 GLN B CA 1724 C C . GLN B 56 ? 0.3068 0.3408 0.3536 0.0225 -0.0480 -0.0051 56 GLN B C 1725 O O . GLN B 56 ? 0.3130 0.3523 0.3556 0.0261 -0.0530 -0.0032 56 GLN B O 1726 C CB . GLN B 56 ? 0.2954 0.3036 0.3328 0.0262 -0.0386 -0.0008 56 GLN B CB 1727 C CG . GLN B 56 ? 0.3098 0.3178 0.3447 0.0361 -0.0407 0.0037 56 GLN B CG 1728 C CD . GLN B 56 ? 0.3390 0.3337 0.3709 0.0415 -0.0346 0.0059 56 GLN B CD 1729 O OE1 . GLN B 56 ? 0.3295 0.3232 0.3663 0.0395 -0.0300 0.0029 56 GLN B OE1 1730 N NE2 . GLN B 56 ? 0.3511 0.3345 0.3740 0.0481 -0.0339 0.0110 56 GLN B NE2 1731 N N . ASN B 57 ? 0.3191 0.3642 0.3778 0.0195 -0.0468 -0.0087 57 ASN B N 1732 C CA . ASN B 57 ? 0.3556 0.4214 0.4244 0.0190 -0.0515 -0.0118 57 ASN B CA 1733 C C . ASN B 57 ? 0.3565 0.4246 0.4230 0.0103 -0.0537 -0.0165 57 ASN B C 1734 O O . ASN B 57 ? 0.3400 0.4044 0.4098 0.0025 -0.0499 -0.0204 57 ASN B O 1735 C CB . ASN B 57 ? 0.3643 0.4411 0.4469 0.0177 -0.0485 -0.0143 57 ASN B CB 1736 C CG . ASN B 57 ? 0.4248 0.5265 0.5193 0.0166 -0.0531 -0.0177 57 ASN B CG 1737 O OD1 . ASN B 57 ? 0.4471 0.5579 0.5399 0.0126 -0.0582 -0.0206 57 ASN B OD1 1738 N ND2 . ASN B 57 ? 0.5009 0.6156 0.6075 0.0197 -0.0512 -0.0179 57 ASN B ND2 1739 N N . SER B 58 ? 0.3778 0.4505 0.4376 0.0122 -0.0592 -0.0160 58 SER B N 1740 C CA . SER B 58 ? 0.4050 0.4783 0.4598 0.0046 -0.0611 -0.0210 58 SER B CA 1741 C C . SER B 58 ? 0.4094 0.4969 0.4750 -0.0043 -0.0613 -0.0288 58 SER B C 1742 O O . SER B 58 ? 0.4149 0.4973 0.4772 -0.0127 -0.0596 -0.0343 58 SER B O 1743 C CB . SER B 58 ? 0.4130 0.4943 0.4596 0.0090 -0.0677 -0.0190 58 SER B CB 1744 O OG . SER B 58 ? 0.4652 0.5337 0.5024 0.0174 -0.0670 -0.0113 58 SER B OG 1745 N N . SER B 59 ? 0.4086 0.5134 0.4867 -0.0029 -0.0625 -0.0296 59 SER B N 1746 C CA . SER B 59 ? 0.4198 0.5409 0.5086 -0.0128 -0.0628 -0.0377 59 SER B CA 1747 C C . SER B 59 ? 0.4104 0.5185 0.5037 -0.0216 -0.0545 -0.0411 59 SER B C 1748 O O . SER B 59 ? 0.4111 0.5267 0.5112 -0.0319 -0.0528 -0.0484 59 SER B O 1749 C CB . SER B 59 ? 0.4238 0.5734 0.5253 -0.0087 -0.0676 -0.0376 59 SER B CB 1750 O OG . SER B 59 ? 0.4489 0.5978 0.5582 -0.0018 -0.0640 -0.0329 59 SER B OG 1751 N N . LEU B 60 ? 0.3896 0.4783 0.4784 -0.0181 -0.0490 -0.0359 60 LEU B N 1752 C CA . LEU B 60 ? 0.3795 0.4592 0.4735 -0.0241 -0.0411 -0.0370 60 LEU B CA 1753 C C . LEU B 60 ? 0.3746 0.4361 0.4612 -0.0304 -0.0357 -0.0388 60 LEU B C 1754 O O . LEU B 60 ? 0.3788 0.4265 0.4544 -0.0266 -0.0354 -0.0352 60 LEU B O 1755 C CB . LEU B 60 ? 0.3684 0.4418 0.4633 -0.0173 -0.0376 -0.0307 60 LEU B CB 1756 C CG . LEU B 60 ? 0.3782 0.4666 0.4806 -0.0096 -0.0407 -0.0285 60 LEU B CG 1757 C CD1 . LEU B 60 ? 0.3911 0.4685 0.4902 -0.0033 -0.0366 -0.0234 60 LEU B CD1 1758 C CD2 . LEU B 60 ? 0.3934 0.5018 0.5109 -0.0145 -0.0401 -0.0330 60 LEU B CD2 1759 N N . LYS B 61 ? 0.3683 0.4293 0.4611 -0.0399 -0.0306 -0.0441 61 LYS B N 1760 C CA . LYS B 61 ? 0.3641 0.4053 0.4507 -0.0452 -0.0231 -0.0452 61 LYS B CA 1761 C C . LYS B 61 ? 0.3453 0.3730 0.4309 -0.0417 -0.0158 -0.0379 61 LYS B C 1762 O O . LYS B 61 ? 0.3377 0.3490 0.4155 -0.0407 -0.0107 -0.0349 61 LYS B O 1763 C CB . LYS B 61 ? 0.3993 0.4430 0.4921 -0.0574 -0.0192 -0.0539 61 LYS B CB 1764 C CG . LYS B 61 ? 0.4391 0.4955 0.5304 -0.0630 -0.0257 -0.0626 61 LYS B CG 1765 C CD . LYS B 61 ? 0.5191 0.5900 0.6217 -0.0752 -0.0242 -0.0716 61 LYS B CD 1766 C CE . LYS B 61 ? 0.5797 0.6304 0.6801 -0.0862 -0.0135 -0.0771 61 LYS B CE 1767 N NZ . LYS B 61 ? 0.6409 0.6854 0.7318 -0.0927 -0.0140 -0.0857 61 LYS B NZ 1768 N N . VAL B 62 ? 0.3169 0.3533 0.4103 -0.0393 -0.0152 -0.0349 62 VAL B N 1769 C CA . VAL B 62 ? 0.3039 0.3315 0.3960 -0.0359 -0.0090 -0.0281 62 VAL B CA 1770 C C . VAL B 62 ? 0.2879 0.3187 0.3758 -0.0272 -0.0134 -0.0234 62 VAL B C 1771 O O . VAL B 62 ? 0.2826 0.3255 0.3748 -0.0241 -0.0187 -0.0248 62 VAL B O 1772 C CB . VAL B 62 ? 0.3040 0.3381 0.4071 -0.0408 -0.0034 -0.0288 62 VAL B CB 1773 C CG1 . VAL B 62 ? 0.2992 0.3277 0.4000 -0.0363 0.0022 -0.0213 62 VAL B CG1 1774 C CG2 . VAL B 62 ? 0.3229 0.3499 0.4289 -0.0509 0.0029 -0.0337 62 VAL B CG2 1775 N N . VAL B 63 ? 0.2772 0.2976 0.3565 -0.0233 -0.0108 -0.0178 63 VAL B N 1776 C CA . VAL B 63 ? 0.2820 0.3036 0.3563 -0.0169 -0.0137 -0.0142 63 VAL B CA 1777 C C . VAL B 63 ? 0.2754 0.3047 0.3566 -0.0159 -0.0111 -0.0133 63 VAL B C 1778 O O . VAL B 63 ? 0.2852 0.3133 0.3688 -0.0183 -0.0050 -0.0111 63 VAL B O 1779 C CB . VAL B 63 ? 0.2838 0.2955 0.3477 -0.0147 -0.0112 -0.0092 63 VAL B CB 1780 C CG1 . VAL B 63 ? 0.2920 0.3047 0.3503 -0.0106 -0.0131 -0.0067 63 VAL B CG1 1781 C CG2 . VAL B 63 ? 0.2685 0.2729 0.3260 -0.0154 -0.0129 -0.0103 63 VAL B CG2 1782 N N . PRO B 64 ? 0.2722 0.3091 0.3563 -0.0118 -0.0149 -0.0147 64 PRO B N 1783 C CA . PRO B 64 ? 0.2597 0.3035 0.3495 -0.0096 -0.0122 -0.0144 64 PRO B CA 1784 C C . PRO B 64 ? 0.2563 0.2927 0.3370 -0.0074 -0.0090 -0.0110 64 PRO B C 1785 O O . PRO B 64 ? 0.2587 0.2873 0.3297 -0.0055 -0.0113 -0.0096 64 PRO B O 1786 C CB . PRO B 64 ? 0.2657 0.3175 0.3594 -0.0042 -0.0173 -0.0163 64 PRO B CB 1787 C CG . PRO B 64 ? 0.2854 0.3304 0.3703 -0.0022 -0.0225 -0.0156 64 PRO B CG 1788 C CD . PRO B 64 ? 0.2643 0.3019 0.3445 -0.0078 -0.0215 -0.0157 64 PRO B CD 1789 N N . LEU B 65 ? 0.2323 0.2725 0.3159 -0.0086 -0.0037 -0.0101 65 LEU B N 1790 C CA . LEU B 65 ? 0.2261 0.2632 0.3015 -0.0076 -0.0006 -0.0080 65 LEU B CA 1791 C C . LEU B 65 ? 0.2232 0.2601 0.2977 -0.0032 -0.0018 -0.0108 65 LEU B C 1792 O O . LEU B 65 ? 0.2392 0.2821 0.3222 -0.0001 -0.0032 -0.0131 65 LEU B O 1793 C CB . LEU B 65 ? 0.2193 0.2624 0.2980 -0.0100 0.0057 -0.0062 65 LEU B CB 1794 C CG . LEU B 65 ? 0.2358 0.2767 0.3144 -0.0133 0.0088 -0.0019 65 LEU B CG 1795 C CD1 . LEU B 65 ? 0.2807 0.3276 0.3633 -0.0154 0.0157 0.0008 65 LEU B CD1 1796 C CD2 . LEU B 65 ? 0.2571 0.2921 0.3249 -0.0124 0.0080 0.0019 65 LEU B CD2 1797 N N . SER B 66 ? 0.2279 0.2582 0.2921 -0.0029 -0.0009 -0.0107 66 SER B N 1798 C CA . SER B 66 ? 0.2215 0.2471 0.2821 0.0006 0.0003 -0.0135 66 SER B CA 1799 C C . SER B 66 ? 0.2392 0.2606 0.3017 0.0061 -0.0041 -0.0139 66 SER B C 1800 O O . SER B 66 ? 0.2362 0.2561 0.3007 0.0116 -0.0026 -0.0155 66 SER B O 1801 C CB . SER B 66 ? 0.2453 0.2781 0.3118 0.0016 0.0056 -0.0158 66 SER B CB 1802 O OG . SER B 66 ? 0.2701 0.3066 0.3318 -0.0032 0.0097 -0.0150 66 SER B OG 1803 N N . HIS B 67 ? 0.2248 0.2447 0.2861 0.0054 -0.0090 -0.0121 67 HIS B N 1804 C CA . HIS B 67 ? 0.2371 0.2543 0.2980 0.0105 -0.0138 -0.0114 67 HIS B CA 1805 C C . HIS B 67 ? 0.2116 0.2189 0.2617 0.0089 -0.0166 -0.0095 67 HIS B C 1806 O O . HIS B 67 ? 0.2099 0.2162 0.2560 0.0039 -0.0163 -0.0086 67 HIS B O 1807 C CB . HIS B 67 ? 0.2460 0.2761 0.3184 0.0115 -0.0177 -0.0121 67 HIS B CB 1808 C CG . HIS B 67 ? 0.2900 0.3309 0.3732 0.0157 -0.0157 -0.0135 67 HIS B CG 1809 N ND1 . HIS B 67 ? 0.3428 0.3860 0.4284 0.0242 -0.0171 -0.0127 67 HIS B ND1 1810 C CD2 . HIS B 67 ? 0.2922 0.3421 0.3839 0.0132 -0.0116 -0.0152 67 HIS B CD2 1811 C CE1 . HIS B 67 ? 0.3933 0.4480 0.4895 0.0271 -0.0142 -0.0141 67 HIS B CE1 1812 N NE2 . HIS B 67 ? 0.3413 0.4003 0.4413 0.0199 -0.0108 -0.0160 67 HIS B NE2 1813 N N . ASN B 68 ? 0.2124 0.2123 0.2574 0.0139 -0.0184 -0.0083 68 ASN B N 1814 C CA . ASN B 68 ? 0.2210 0.2108 0.2549 0.0125 -0.0203 -0.0063 68 ASN B CA 1815 C C . ASN B 68 ? 0.2194 0.2148 0.2541 0.0092 -0.0245 -0.0056 68 ASN B C 1816 O O . ASN B 68 ? 0.2230 0.2278 0.2654 0.0103 -0.0280 -0.0065 68 ASN B O 1817 C CB . ASN B 68 ? 0.2389 0.2210 0.2685 0.0197 -0.0216 -0.0039 68 ASN B CB 1818 C CG . ASN B 68 ? 0.2539 0.2235 0.2783 0.0222 -0.0156 -0.0046 68 ASN B CG 1819 O OD1 . ASN B 68 ? 0.3061 0.2711 0.3264 0.0164 -0.0109 -0.0074 68 ASN B OD1 1820 N ND2 . ASN B 68 ? 0.2458 0.2096 0.2695 0.0310 -0.0152 -0.0019 68 ASN B ND2 1821 N N . LEU B 69 ? 0.2121 0.2023 0.2390 0.0049 -0.0237 -0.0046 69 LEU B N 1822 C CA . LEU B 69 ? 0.2122 0.2049 0.2381 0.0026 -0.0266 -0.0040 69 LEU B CA 1823 C C . LEU B 69 ? 0.2146 0.2001 0.2297 0.0006 -0.0263 -0.0019 69 LEU B C 1824 O O . LEU B 69 ? 0.2385 0.2183 0.2473 -0.0010 -0.0234 -0.0014 69 LEU B O 1825 C CB . LEU B 69 ? 0.2110 0.2099 0.2434 -0.0009 -0.0243 -0.0048 69 LEU B CB 1826 C CG . LEU B 69 ? 0.2206 0.2202 0.2516 -0.0036 -0.0195 -0.0036 69 LEU B CG 1827 C CD1 . LEU B 69 ? 0.2415 0.2379 0.2632 -0.0058 -0.0187 -0.0012 69 LEU B CD1 1828 C CD2 . LEU B 69 ? 0.1984 0.2037 0.2367 -0.0055 -0.0166 -0.0033 69 LEU B CD2 1829 N N . ASN B 70 ? 0.2028 0.1886 0.2150 0.0001 -0.0288 -0.0013 70 ASN B N 1830 C CA . ASN B 70 ? 0.2015 0.1830 0.2043 -0.0022 -0.0279 0.0008 70 ASN B CA 1831 C C . ASN B 70 ? 0.2027 0.1885 0.2070 -0.0047 -0.0254 0.0014 70 ASN B C 1832 O O . ASN B 70 ? 0.1942 0.1834 0.2052 -0.0046 -0.0249 0.0002 70 ASN B O 1833 C CB . ASN B 70 ? 0.2105 0.1888 0.2070 -0.0002 -0.0316 0.0016 70 ASN B CB 1834 C CG . ASN B 70 ? 0.2334 0.2048 0.2247 0.0032 -0.0328 0.0035 70 ASN B CG 1835 O OD1 . ASN B 70 ? 0.2406 0.2114 0.2279 0.0063 -0.0363 0.0049 70 ASN B OD1 1836 N ND2 . ASN B 70 ? 0.2802 0.2462 0.2710 0.0031 -0.0295 0.0036 70 ASN B ND2 1837 N N . ILE B 71 ? 0.1918 0.1780 0.1897 -0.0069 -0.0233 0.0036 71 ILE B N 1838 C CA . ILE B 71 ? 0.1850 0.1767 0.1841 -0.0075 -0.0206 0.0057 71 ILE B CA 1839 C C . ILE B 71 ? 0.1887 0.1794 0.1808 -0.0074 -0.0210 0.0073 71 ILE B C 1840 O O . ILE B 71 ? 0.1930 0.1815 0.1784 -0.0093 -0.0217 0.0077 71 ILE B O 1841 C CB . ILE B 71 ? 0.1839 0.1828 0.1826 -0.0099 -0.0174 0.0075 71 ILE B CB 1842 C CG1 . ILE B 71 ? 0.1870 0.1869 0.1908 -0.0105 -0.0164 0.0055 71 ILE B CG1 1843 C CG2 . ILE B 71 ? 0.1641 0.1703 0.1642 -0.0084 -0.0144 0.0114 71 ILE B CG2 1844 C CD1 . ILE B 71 ? 0.1454 0.1545 0.1476 -0.0136 -0.0132 0.0069 71 ILE B CD1 1845 N N . HIS B 72 ? 0.1817 0.1726 0.1745 -0.0055 -0.0198 0.0078 72 HIS B N 1846 C CA . HIS B 72 ? 0.2065 0.1986 0.1929 -0.0050 -0.0188 0.0097 72 HIS B CA 1847 C C . HIS B 72 ? 0.2086 0.2049 0.1971 -0.0022 -0.0143 0.0127 72 HIS B C 1848 O O . HIS B 72 ? 0.2262 0.2196 0.2201 -0.0003 -0.0120 0.0123 72 HIS B O 1849 C CB . HIS B 72 ? 0.2071 0.1928 0.1884 -0.0043 -0.0220 0.0072 72 HIS B CB 1850 C CG . HIS B 72 ? 0.1983 0.1803 0.1824 -0.0028 -0.0218 0.0039 72 HIS B CG 1851 N ND1 . HIS B 72 ? 0.2608 0.2410 0.2497 -0.0035 -0.0247 -0.0001 72 HIS B ND1 1852 C CD2 . HIS B 72 ? 0.2483 0.2281 0.2306 -0.0013 -0.0185 0.0032 72 HIS B CD2 1853 C CE1 . HIS B 72 ? 0.2137 0.1909 0.2035 -0.0039 -0.0232 -0.0037 72 HIS B CE1 1854 N NE2 . HIS B 72 ? 0.2073 0.1825 0.1925 -0.0023 -0.0193 -0.0020 72 HIS B NE2 1855 N N . THR B 73 ? 0.2256 0.2291 0.2100 -0.0017 -0.0123 0.0161 73 THR B N 1856 C CA . THR B 73 ? 0.2297 0.2377 0.2157 0.0032 -0.0074 0.0200 73 THR B CA 1857 C C . THR B 73 ? 0.2597 0.2572 0.2441 0.0062 -0.0055 0.0175 73 THR B C 1858 O O . THR B 73 ? 0.2845 0.2770 0.2635 0.0046 -0.0083 0.0139 73 THR B O 1859 C CB . THR B 73 ? 0.2354 0.2570 0.2180 0.0033 -0.0058 0.0243 73 THR B CB 1860 O OG1 . THR B 73 ? 0.2511 0.2845 0.2354 -0.0004 -0.0066 0.0260 73 THR B OG1 1861 C CG2 . THR B 73 ? 0.1878 0.2145 0.1720 0.0106 -0.0001 0.0292 73 THR B CG2 1862 N N . CSX B 74 ? 0.2656 0.2595 0.2539 0.0106 -0.0001 0.0194 74 CSX B N 1863 C CA . CSX B 74 ? 0.3116 0.2935 0.2983 0.0133 0.0041 0.0165 74 CSX B CA 1864 C CB . CSX B 74 ? 0.3296 0.3009 0.3219 0.0127 0.0073 0.0142 74 CSX B CB 1865 S SG . CSX B 74 ? 0.4673 0.4216 0.4568 0.0129 0.0127 0.0079 74 CSX B SG 1866 C C . CSX B 74 ? 0.3043 0.2906 0.2888 0.0200 0.0102 0.0219 74 CSX B C 1867 O O . CSX B 74 ? 0.3132 0.3042 0.3014 0.0255 0.0154 0.0285 74 CSX B O 1868 O OD . CSX B 74 ? 0.4804 0.4311 0.4638 0.0088 0.0085 0.0001 74 CSX B OD 1869 N N . SER B 75 ? 0.2987 0.2847 0.2770 0.0205 0.0100 0.0199 75 SER B N 1870 C CA . SER B 75 ? 0.3006 0.2940 0.2769 0.0272 0.0156 0.0252 75 SER B CA 1871 C C . SER B 75 ? 0.3097 0.2968 0.2785 0.0267 0.0159 0.0201 75 SER B C 1872 O O . SER B 75 ? 0.3238 0.3116 0.2880 0.0209 0.0098 0.0162 75 SER B O 1873 C CB . SER B 75 ? 0.2889 0.3029 0.2663 0.0262 0.0127 0.0310 75 SER B CB 1874 O OG . SER B 75 ? 0.3340 0.3597 0.3105 0.0326 0.0176 0.0363 75 SER B OG 1875 N N . ASP B 76 ? 0.3142 0.2943 0.2809 0.0332 0.0237 0.0204 76 ASP B N 1876 C CA . ASP B 76 ? 0.3317 0.3076 0.2903 0.0331 0.0248 0.0155 76 ASP B CA 1877 C C . ASP B 76 ? 0.3098 0.3032 0.2662 0.0352 0.0246 0.0208 76 ASP B C 1878 O O . ASP B 76 ? 0.3097 0.3034 0.2591 0.0327 0.0230 0.0173 76 ASP B O 1879 C CB . ASP B 76 ? 0.3564 0.3167 0.3126 0.0389 0.0344 0.0127 76 ASP B CB 1880 C CG . ASP B 76 ? 0.4156 0.3573 0.3723 0.0343 0.0353 0.0052 76 ASP B CG 1881 O OD1 . ASP B 76 ? 0.4060 0.3478 0.3639 0.0262 0.0274 0.0005 76 ASP B OD1 1882 O OD2 . ASP B 76 ? 0.4467 0.3734 0.4027 0.0390 0.0450 0.0037 76 ASP B OD2 1883 N N . LEU B 77 ? 0.3016 0.3107 0.2638 0.0400 0.0268 0.0292 77 LEU B N 1884 C CA . LEU B 77 ? 0.2904 0.3202 0.2519 0.0397 0.0259 0.0337 77 LEU B CA 1885 C C . LEU B 77 ? 0.2876 0.3250 0.2491 0.0298 0.0176 0.0328 77 LEU B C 1886 O O . LEU B 77 ? 0.2936 0.3290 0.2594 0.0268 0.0142 0.0328 77 LEU B O 1887 C CB . LEU B 77 ? 0.3061 0.3540 0.2743 0.0487 0.0315 0.0431 77 LEU B CB 1888 C CG . LEU B 77 ? 0.3266 0.3700 0.2947 0.0611 0.0416 0.0464 77 LEU B CG 1889 C CD1 . LEU B 77 ? 0.3766 0.4399 0.3527 0.0712 0.0463 0.0578 77 LEU B CD1 1890 C CD2 . LEU B 77 ? 0.3106 0.3583 0.2728 0.0620 0.0440 0.0441 77 LEU B CD2 1891 N N . TRP B 78 ? 0.2650 0.3100 0.2214 0.0246 0.0152 0.0320 78 TRP B N 1892 C CA . TRP B 78 ? 0.2663 0.3171 0.2218 0.0151 0.0091 0.0315 78 TRP B CA 1893 C C . TRP B 78 ? 0.2743 0.3392 0.2256 0.0113 0.0100 0.0334 78 TRP B C 1894 O O . TRP B 78 ? 0.2773 0.3373 0.2221 0.0124 0.0118 0.0315 78 TRP B O 1895 C CB . TRP B 78 ? 0.2613 0.2934 0.2125 0.0099 0.0036 0.0255 78 TRP B CB 1896 C CG . TRP B 78 ? 0.2545 0.2879 0.2063 0.0022 -0.0013 0.0253 78 TRP B CG 1897 C CD1 . TRP B 78 ? 0.2473 0.2765 0.1926 -0.0044 -0.0045 0.0239 78 TRP B CD1 1898 C CD2 . TRP B 78 ? 0.2178 0.2563 0.1763 0.0008 -0.0025 0.0267 78 TRP B CD2 1899 N NE1 . TRP B 78 ? 0.2579 0.2874 0.2056 -0.0098 -0.0069 0.0237 78 TRP B NE1 1900 C CE2 . TRP B 78 ? 0.2387 0.2746 0.1943 -0.0071 -0.0061 0.0250 78 TRP B CE2 1901 C CE3 . TRP B 78 ? 0.1936 0.2372 0.1594 0.0056 -0.0002 0.0294 78 TRP B CE3 1902 C CZ2 . TRP B 78 ? 0.2362 0.2755 0.1961 -0.0108 -0.0075 0.0248 78 TRP B CZ2 1903 C CZ3 . TRP B 78 ? 0.2249 0.2739 0.1949 0.0020 -0.0022 0.0301 78 TRP B CZ3 1904 C CH2 . TRP B 78 ? 0.2252 0.2719 0.1921 -0.0065 -0.0059 0.0271 78 TRP B CH2 1905 N N . PHE B 79 ? 0.2751 0.3577 0.2297 0.0058 0.0091 0.0364 79 PHE B N 1906 C CA . PHE B 79 ? 0.2898 0.3910 0.2427 0.0020 0.0114 0.0388 79 PHE B CA 1907 C C . PHE B 79 ? 0.3005 0.3986 0.2476 -0.0106 0.0081 0.0362 79 PHE B C 1908 O O . PHE B 79 ? 0.3177 0.4307 0.2633 -0.0170 0.0100 0.0375 79 PHE B O 1909 C CB . PHE B 79 ? 0.2900 0.4186 0.2514 0.0054 0.0142 0.0446 79 PHE B CB 1910 C CG . PHE B 79 ? 0.2796 0.4113 0.2457 0.0194 0.0194 0.0490 79 PHE B CG 1911 C CD1 . PHE B 79 ? 0.2953 0.4319 0.2597 0.0261 0.0247 0.0507 79 PHE B CD1 1912 C CD2 . PHE B 79 ? 0.2659 0.3939 0.2376 0.0262 0.0199 0.0516 79 PHE B CD2 1913 C CE1 . PHE B 79 ? 0.3055 0.4414 0.2735 0.0401 0.0312 0.0547 79 PHE B CE1 1914 C CE2 . PHE B 79 ? 0.3041 0.4309 0.2792 0.0398 0.0264 0.0562 79 PHE B CE2 1915 C CZ . PHE B 79 ? 0.3083 0.4385 0.2815 0.0469 0.0321 0.0577 79 PHE B CZ 1916 N N . CYS B 80 ? 0.2867 0.3654 0.2309 -0.0141 0.0039 0.0326 80 CYS B N 1917 C CA . CYS B 80 ? 0.2897 0.3597 0.2276 -0.0244 0.0018 0.0304 80 CYS B CA 1918 C C . CYS B 80 ? 0.2798 0.3301 0.2091 -0.0227 0.0002 0.0287 80 CYS B C 1919 O O . CYS B 80 ? 0.2747 0.3150 0.2043 -0.0156 -0.0013 0.0271 80 CYS B O 1920 C CB . CYS B 80 ? 0.2974 0.3593 0.2381 -0.0278 -0.0014 0.0282 80 CYS B CB 1921 S SG . CYS B 80 ? 0.3957 0.4820 0.3447 -0.0318 -0.0002 0.0295 80 CYS B SG 1922 N N . PRO B 81 ? 0.2804 0.3247 0.2013 -0.0298 0.0008 0.0290 81 PRO B N 1923 C CA . PRO B 81 ? 0.2843 0.3101 0.1964 -0.0276 -0.0015 0.0282 81 PRO B CA 1924 C C . PRO B 81 ? 0.2799 0.2897 0.1927 -0.0264 -0.0061 0.0263 81 PRO B C 1925 O O . PRO B 81 ? 0.2423 0.2411 0.1510 -0.0216 -0.0092 0.0253 81 PRO B O 1926 C CB . PRO B 81 ? 0.3007 0.3241 0.2038 -0.0356 0.0013 0.0304 81 PRO B CB 1927 C CG . PRO B 81 ? 0.3216 0.3670 0.2294 -0.0413 0.0058 0.0317 81 PRO B CG 1928 C CD . PRO B 81 ? 0.2722 0.3278 0.1908 -0.0397 0.0043 0.0304 81 PRO B CD 1929 N N . GLU B 82 ? 0.2771 0.2878 0.1949 -0.0309 -0.0062 0.0255 82 GLU B N 1930 C CA . GLU B 82 ? 0.2790 0.2761 0.1983 -0.0303 -0.0095 0.0238 82 GLU B CA 1931 C C . GLU B 82 ? 0.2744 0.2718 0.2014 -0.0229 -0.0126 0.0217 82 GLU B C 1932 O O . GLU B 82 ? 0.2751 0.2818 0.2064 -0.0189 -0.0115 0.0217 82 GLU B O 1933 C CB . GLU B 82 ? 0.2823 0.2813 0.2040 -0.0381 -0.0074 0.0226 82 GLU B CB 1934 C CG . GLU B 82 ? 0.3151 0.3104 0.2285 -0.0474 -0.0033 0.0237 82 GLU B CG 1935 C CD . GLU B 82 ? 0.3598 0.3760 0.2749 -0.0538 0.0004 0.0242 82 GLU B CD 1936 O OE1 . GLU B 82 ? 0.3243 0.3579 0.2462 -0.0487 -0.0002 0.0251 82 GLU B OE1 1937 O OE2 . GLU B 82 ? 0.3499 0.3652 0.2597 -0.0641 0.0045 0.0239 82 GLU B OE2 1938 N N . SER B 83 ? 0.2722 0.2587 0.2008 -0.0210 -0.0159 0.0202 83 SER B N 1939 C CA . SER B 83 ? 0.2605 0.2466 0.1964 -0.0154 -0.0186 0.0178 83 SER B CA 1940 C C . SER B 83 ? 0.2415 0.2370 0.1868 -0.0152 -0.0170 0.0173 83 SER B C 1941 O O . SER B 83 ? 0.2425 0.2468 0.1890 -0.0197 -0.0145 0.0186 83 SER B O 1942 C CB . SER B 83 ? 0.2610 0.2361 0.1970 -0.0140 -0.0221 0.0167 83 SER B CB 1943 O OG . SER B 83 ? 0.2479 0.2227 0.1886 -0.0171 -0.0209 0.0161 83 SER B OG 1944 N N . LYS B 84 ? 0.2397 0.2343 0.1911 -0.0103 -0.0180 0.0156 84 LYS B N 1945 C CA . LYS B 84 ? 0.2159 0.2171 0.1759 -0.0088 -0.0162 0.0160 84 LYS B CA 1946 C C . LYS B 84 ? 0.2186 0.2163 0.1832 -0.0105 -0.0180 0.0145 84 LYS B C 1947 O O . LYS B 84 ? 0.2125 0.2155 0.1836 -0.0095 -0.0166 0.0150 84 LYS B O 1948 C CB . LYS B 84 ? 0.2180 0.2169 0.1816 -0.0034 -0.0148 0.0149 84 LYS B CB 1949 C CG . LYS B 84 ? 0.2250 0.2276 0.1844 -0.0008 -0.0116 0.0163 84 LYS B CG 1950 C CD . LYS B 84 ? 0.2475 0.2432 0.2084 0.0037 -0.0093 0.0138 84 LYS B CD 1951 C CE . LYS B 84 ? 0.2637 0.2610 0.2192 0.0067 -0.0056 0.0142 84 LYS B CE 1952 N NZ . LYS B 84 ? 0.2724 0.2587 0.2279 0.0093 -0.0036 0.0094 84 LYS B NZ 1953 N N . ILE B 85 ? 0.2149 0.2039 0.1756 -0.0125 -0.0205 0.0131 85 ILE B N 1954 C CA . ILE B 85 ? 0.2459 0.2295 0.2108 -0.0123 -0.0223 0.0112 85 ILE B CA 1955 C C . ILE B 85 ? 0.2378 0.2238 0.2024 -0.0173 -0.0198 0.0111 85 ILE B C 1956 O O . ILE B 85 ? 0.2413 0.2269 0.1995 -0.0222 -0.0179 0.0118 85 ILE B O 1957 C CB . ILE B 85 ? 0.2438 0.2173 0.2044 -0.0101 -0.0256 0.0106 85 ILE B CB 1958 C CG1 . ILE B 85 ? 0.2630 0.2371 0.2237 -0.0064 -0.0284 0.0094 85 ILE B CG1 1959 C CG2 . ILE B 85 ? 0.2409 0.2095 0.2059 -0.0089 -0.0266 0.0093 85 ILE B CG2 1960 C CD1 . ILE B 85 ? 0.2898 0.2586 0.2424 -0.0046 -0.0313 0.0104 85 ILE B CD1 1961 N N . TRP B 86 ? 0.2248 0.2139 0.1960 -0.0170 -0.0193 0.0098 86 TRP B N 1962 C CA . TRP B 86 ? 0.2272 0.2207 0.1976 -0.0225 -0.0166 0.0087 86 TRP B CA 1963 C C . TRP B 86 ? 0.2448 0.2255 0.2106 -0.0251 -0.0158 0.0063 86 TRP B C 1964 O O . TRP B 86 ? 0.2327 0.2033 0.1995 -0.0205 -0.0177 0.0059 86 TRP B O 1965 C CB . TRP B 86 ? 0.2257 0.2278 0.2034 -0.0214 -0.0156 0.0085 86 TRP B CB 1966 C CG . TRP B 86 ? 0.2120 0.2267 0.1934 -0.0187 -0.0145 0.0122 86 TRP B CG 1967 C CD1 . TRP B 86 ? 0.2621 0.2785 0.2423 -0.0156 -0.0144 0.0148 86 TRP B CD1 1968 C CD2 . TRP B 86 ? 0.2496 0.2766 0.2354 -0.0181 -0.0123 0.0143 86 TRP B CD2 1969 N NE1 . TRP B 86 ? 0.2174 0.2451 0.2015 -0.0121 -0.0119 0.0187 86 TRP B NE1 1970 C CE2 . TRP B 86 ? 0.2128 0.2476 0.2005 -0.0134 -0.0108 0.0190 86 TRP B CE2 1971 C CE3 . TRP B 86 ? 0.2352 0.2675 0.2232 -0.0205 -0.0111 0.0130 86 TRP B CE3 1972 C CZ2 . TRP B 86 ? 0.2320 0.2797 0.2234 -0.0103 -0.0080 0.0237 86 TRP B CZ2 1973 C CZ3 . TRP B 86 ? 0.2603 0.3069 0.2519 -0.0182 -0.0089 0.0172 86 TRP B CZ3 1974 C CH2 . TRP B 86 ? 0.2248 0.2784 0.2182 -0.0127 -0.0074 0.0230 86 TRP B CH2 1975 N N . THR B 87 ? 0.2614 0.2435 0.2222 -0.0325 -0.0125 0.0046 87 THR B N 1976 C CA . THR B 87 ? 0.2777 0.2450 0.2328 -0.0360 -0.0096 0.0017 87 THR B CA 1977 C C . THR B 87 ? 0.3028 0.2773 0.2553 -0.0456 -0.0055 -0.0023 87 THR B C 1978 O O . THR B 87 ? 0.2784 0.2716 0.2346 -0.0478 -0.0060 -0.0019 87 THR B O 1979 C CB . THR B 87 ? 0.3037 0.2576 0.2503 -0.0364 -0.0088 0.0039 87 THR B CB 1980 O OG1 . THR B 87 ? 0.3399 0.2760 0.2805 -0.0386 -0.0047 0.0019 87 THR B OG1 1981 C CG2 . THR B 87 ? 0.3196 0.2828 0.2613 -0.0435 -0.0073 0.0050 87 THR B CG2 1982 N N . VAL B 88 ? 0.3036 0.2635 0.2492 -0.0510 -0.0010 -0.0060 88 VAL B N 1983 C CA . VAL B 88 ? 0.3420 0.3075 0.2831 -0.0624 0.0035 -0.0115 88 VAL B CA 1984 C C . VAL B 88 ? 0.3618 0.3137 0.2927 -0.0710 0.0084 -0.0133 88 VAL B C 1985 O O . VAL B 88 ? 0.3745 0.3044 0.3006 -0.0672 0.0103 -0.0116 88 VAL B O 1986 C CB . VAL B 88 ? 0.3455 0.3061 0.2884 -0.0623 0.0062 -0.0166 88 VAL B CB 1987 C CG1 . VAL B 88 ? 0.3792 0.3384 0.3143 -0.0753 0.0124 -0.0242 88 VAL B CG1 1988 C CG2 . VAL B 88 ? 0.3116 0.2910 0.2643 -0.0566 0.0022 -0.0147 88 VAL B CG2 1989 N N . LYS B 89 ? 0.3760 0.3423 0.3036 -0.0827 0.0106 -0.0161 89 LYS B N 1990 C CA . LYS B 89 ? 0.4119 0.3664 0.3295 -0.0939 0.0164 -0.0189 89 LYS B CA 1991 C C . LYS B 89 ? 0.4342 0.3954 0.3471 -0.1090 0.0218 -0.0278 89 LYS B C 1992 O O . LYS B 89 ? 0.4187 0.4035 0.3367 -0.1113 0.0194 -0.0301 89 LYS B O 1993 C CB . LYS B 89 ? 0.4102 0.3775 0.3275 -0.0956 0.0144 -0.0141 89 LYS B CB 1994 C CG . LYS B 89 ? 0.4162 0.3750 0.3354 -0.0826 0.0101 -0.0065 89 LYS B CG 1995 C CD . LYS B 89 ? 0.4330 0.4031 0.3502 -0.0855 0.0096 -0.0026 89 LYS B CD 1996 C CE . LYS B 89 ? 0.4037 0.3713 0.3235 -0.0728 0.0047 0.0038 89 LYS B CE 1997 N NZ . LYS B 89 ? 0.4397 0.4174 0.3569 -0.0750 0.0050 0.0073 89 LYS B NZ 1998 N N . SER B 90 ? 0.4709 0.4115 0.3736 -0.1195 0.0295 -0.0327 90 SER B N 1999 C CA . SER B 90 ? 0.5080 0.4545 0.4044 -0.1373 0.0357 -0.0426 90 SER B CA 2000 C C . SER B 90 ? 0.5132 0.4882 0.4104 -0.1485 0.0343 -0.0428 90 SER B C 2001 O O . SER B 90 ? 0.5148 0.4886 0.4112 -0.1472 0.0336 -0.0370 90 SER B O 2002 C CB . SER B 90 ? 0.5421 0.4531 0.4265 -0.1452 0.0460 -0.0479 90 SER B CB 2003 O OG . SER B 90 ? 0.5762 0.4661 0.4597 -0.1381 0.0490 -0.0507 90 SER B OG 2004 N N . SER B 91 ? 0.5232 0.5251 0.4216 -0.1597 0.0342 -0.0494 91 SER B N 2005 C CA . SER B 91 ? 0.5231 0.5566 0.4228 -0.1711 0.0332 -0.0501 91 SER B CA 2006 C C . SER B 91 ? 0.5430 0.5883 0.4362 -0.1919 0.0388 -0.0624 91 SER B C 2007 O O . SER B 91 ? 0.5391 0.5926 0.4323 -0.1937 0.0384 -0.0680 91 SER B O 2008 C CB . SER B 91 ? 0.4930 0.5617 0.4041 -0.1600 0.0244 -0.0421 91 SER B CB 2009 O OG . SER B 91 ? 0.5042 0.6070 0.4172 -0.1702 0.0237 -0.0426 91 SER B OG 2010 N N . SER B 92 ? 0.5659 0.6128 0.4530 -0.2084 0.0442 -0.0669 92 SER B N 2011 C CA . SER B 92 ? 0.5953 0.6577 0.4762 -0.2309 0.0496 -0.0798 92 SER B CA 2012 C C . SER B 92 ? 0.5704 0.6840 0.4593 -0.2330 0.0424 -0.0800 92 SER B C 2013 O O . SER B 92 ? 0.5723 0.6974 0.4590 -0.2397 0.0429 -0.0881 92 SER B O 2014 C CB . SER B 92 ? 0.6208 0.6771 0.4946 -0.2491 0.0572 -0.0844 92 SER B CB 2015 O OG . SER B 92 ? 0.6732 0.6812 0.5354 -0.2541 0.0674 -0.0892 92 SER B OG 2016 N N . ILE B 93 ? 0.5517 0.6960 0.4497 -0.2262 0.0361 -0.0706 93 ILE B N 2017 C CA . ILE B 93 ? 0.5322 0.7282 0.4378 -0.2277 0.0300 -0.0693 93 ILE B CA 2018 C C . ILE B 93 ? 0.5046 0.7102 0.4151 -0.2138 0.0245 -0.0657 93 ILE B C 2019 O O . ILE B 93 ? 0.4918 0.7333 0.4038 -0.2194 0.0219 -0.0687 93 ILE B O 2020 C CB . ILE B 93 ? 0.5168 0.7464 0.4312 -0.2234 0.0257 -0.0598 93 ILE B CB 2021 C CG1 . ILE B 93 ? 0.5058 0.7371 0.4297 -0.1986 0.0190 -0.0456 93 ILE B CG1 2022 C CG2 . ILE B 93 ? 0.5447 0.7612 0.4540 -0.2365 0.0319 -0.0625 93 ILE B CG2 2023 C CD1 . ILE B 93 ? 0.4940 0.7730 0.4281 -0.1926 0.0139 -0.0370 93 ILE B CD1 2024 N N . HIS B 94 ? 0.4869 0.6617 0.3993 -0.1963 0.0229 -0.0594 94 HIS B N 2025 C CA . HIS B 94 ? 0.4735 0.6522 0.3897 -0.1842 0.0191 -0.0568 94 HIS B CA 2026 C C . HIS B 94 ? 0.4900 0.6420 0.3977 -0.1911 0.0246 -0.0677 94 HIS B C 2027 O O . HIS B 94 ? 0.4644 0.6130 0.3745 -0.1811 0.0226 -0.0662 94 HIS B O 2028 C CB . HIS B 94 ? 0.4605 0.6271 0.3850 -0.1619 0.0142 -0.0442 94 HIS B CB 2029 C CG . HIS B 94 ? 0.4649 0.6549 0.3970 -0.1543 0.0101 -0.0342 94 HIS B CG 2030 N ND1 . HIS B 94 ? 0.5124 0.6921 0.4432 -0.1564 0.0118 -0.0321 94 HIS B ND1 2031 C CD2 . HIS B 94 ? 0.4691 0.6919 0.4095 -0.1441 0.0052 -0.0253 94 HIS B CD2 2032 C CE1 . HIS B 94 ? 0.4849 0.6904 0.4234 -0.1479 0.0081 -0.0232 94 HIS B CE1 2033 N NE2 . HIS B 94 ? 0.4682 0.6993 0.4127 -0.1398 0.0043 -0.0187 94 HIS B NE2 2034 N N . ARG B 95 ? 0.5106 0.6433 0.4082 -0.2083 0.0323 -0.0786 95 ARG B N 2035 C CA . ARG B 95 ? 0.5386 0.6453 0.4262 -0.2182 0.0399 -0.0911 95 ARG B CA 2036 C C . ARG B 95 ? 0.5311 0.6016 0.4192 -0.2020 0.0410 -0.0880 95 ARG B C 2037 O O . ARG B 95 ? 0.5369 0.6031 0.4224 -0.2017 0.0430 -0.0939 95 ARG B O 2038 C CB . ARG B 95 ? 0.5537 0.6937 0.4379 -0.2321 0.0400 -0.1010 95 ARG B CB 2039 C CG . ARG B 95 ? 0.5989 0.7678 0.4792 -0.2540 0.0420 -0.1088 95 ARG B CG 2040 C CD . ARG B 95 ? 0.6846 0.8943 0.5623 -0.2665 0.0403 -0.1175 95 ARG B CD 2041 N NE . ARG B 95 ? 0.7733 0.9629 0.6382 -0.2830 0.0492 -0.1344 95 ARG B NE 2042 C CZ . ARG B 95 ? 0.7918 0.9649 0.6531 -0.2766 0.0512 -0.1382 95 ARG B CZ 2043 N NH1 . ARG B 95 ? 0.7743 0.9477 0.6441 -0.2545 0.0448 -0.1263 95 ARG B NH1 2044 N NH2 . ARG B 95 ? 0.8247 0.9799 0.6733 -0.2933 0.0605 -0.1547 95 ARG B NH2 2045 N N . GLY B 96 ? 0.5169 0.5638 0.4086 -0.1887 0.0396 -0.0786 96 GLY B N 2046 C CA . GLY B 96 ? 0.4976 0.5141 0.3913 -0.1724 0.0397 -0.0742 96 GLY B CA 2047 C C . GLY B 96 ? 0.4644 0.4827 0.3684 -0.1534 0.0320 -0.0607 96 GLY B C 2048 O O . GLY B 96 ? 0.4457 0.4777 0.3533 -0.1519 0.0282 -0.0542 96 GLY B O 2049 N N . LEU B 97 ? 0.4404 0.4449 0.3488 -0.1394 0.0302 -0.0574 97 LEU B N 2050 C CA . LEU B 97 ? 0.4126 0.4132 0.3297 -0.1221 0.0241 -0.0465 97 LEU B CA 2051 C C . LEU B 97 ? 0.3791 0.4128 0.3053 -0.1161 0.0168 -0.0393 97 LEU B C 2052 O O . LEU B 97 ? 0.3669 0.4249 0.2949 -0.1196 0.0156 -0.0413 97 LEU B O 2053 C CB . LEU B 97 ? 0.4192 0.3994 0.3389 -0.1107 0.0248 -0.0463 97 LEU B CB 2054 C CG . LEU B 97 ? 0.4564 0.4020 0.3674 -0.1136 0.0330 -0.0521 97 LEU B CG 2055 C CD1 . LEU B 97 ? 0.4703 0.4010 0.3852 -0.1017 0.0339 -0.0519 97 LEU B CD1 2056 C CD2 . LEU B 97 ? 0.4716 0.3955 0.3781 -0.1117 0.0347 -0.0474 97 LEU B CD2 2057 N N . VAL B 98 ? 0.3507 0.3844 0.2819 -0.1066 0.0125 -0.0307 98 VAL B N 2058 C CA . VAL B 98 ? 0.3242 0.3827 0.2642 -0.0977 0.0067 -0.0226 98 VAL B CA 2059 C C . VAL B 98 ? 0.3005 0.3429 0.2458 -0.0833 0.0034 -0.0157 98 VAL B C 2060 O O . VAL B 98 ? 0.3082 0.3281 0.2499 -0.0818 0.0045 -0.0156 98 VAL B O 2061 C CB . VAL B 98 ? 0.3108 0.3937 0.2508 -0.1038 0.0058 -0.0201 98 VAL B CB 2062 C CG1 . VAL B 98 ? 0.3414 0.4500 0.2780 -0.1180 0.0078 -0.0265 98 VAL B CG1 2063 C CG2 . VAL B 98 ? 0.3442 0.4097 0.2785 -0.1086 0.0083 -0.0206 98 VAL B CG2 2064 N N . VAL B 99 ? 0.2820 0.3364 0.2353 -0.0733 -0.0003 -0.0099 99 VAL B N 2065 C CA . VAL B 99 ? 0.2754 0.3190 0.2338 -0.0616 -0.0033 -0.0042 99 VAL B CA 2066 C C . VAL B 99 ? 0.2819 0.3330 0.2395 -0.0610 -0.0044 0.0001 99 VAL B C 2067 O O . VAL B 99 ? 0.2911 0.3650 0.2492 -0.0649 -0.0041 0.0018 99 VAL B O 2068 C CB . VAL B 99 ? 0.2690 0.3226 0.2355 -0.0526 -0.0054 0.0000 99 VAL B CB 2069 C CG1 . VAL B 99 ? 0.2617 0.3053 0.2334 -0.0420 -0.0080 0.0049 99 VAL B CG1 2070 C CG2 . VAL B 99 ? 0.2339 0.2830 0.2013 -0.0536 -0.0038 -0.0043 99 VAL B CG2 2071 N N . THR B 100 ? 0.2706 0.3047 0.2268 -0.0561 -0.0056 0.0021 100 THR B N 2072 C CA . THR B 100 ? 0.2698 0.3106 0.2252 -0.0546 -0.0063 0.0061 100 THR B CA 2073 C C . THR B 100 ? 0.2584 0.2861 0.2160 -0.0445 -0.0089 0.0093 100 THR B C 2074 O O . THR B 100 ? 0.2473 0.2599 0.2063 -0.0403 -0.0103 0.0078 100 THR B O 2075 C CB . THR B 100 ? 0.2893 0.3234 0.2362 -0.0641 -0.0035 0.0038 100 THR B CB 2076 O OG1 . THR B 100 ? 0.3168 0.3251 0.2589 -0.0616 -0.0032 0.0031 100 THR B OG1 2077 C CG2 . THR B 100 ? 0.3034 0.3461 0.2465 -0.0770 0.0000 -0.0018 100 THR B CG2 2078 N N . THR B 101 ? 0.2503 0.2848 0.2085 -0.0405 -0.0095 0.0131 101 THR B N 2079 C CA . THR B 101 ? 0.2475 0.2683 0.2044 -0.0338 -0.0115 0.0145 101 THR B CA 2080 C C . THR B 101 ? 0.2561 0.2625 0.2043 -0.0377 -0.0110 0.0137 101 THR B C 2081 O O . THR B 101 ? 0.2679 0.2699 0.2112 -0.0457 -0.0085 0.0114 101 THR B O 2082 C CB . THR B 101 ? 0.2513 0.2820 0.2112 -0.0275 -0.0113 0.0182 101 THR B CB 2083 O OG1 . THR B 101 ? 0.2933 0.3360 0.2495 -0.0316 -0.0091 0.0200 101 THR B OG1 2084 C CG2 . THR B 101 ? 0.2468 0.2895 0.2142 -0.0230 -0.0105 0.0204 101 THR B CG2 2085 N N . GLY B 102 ? 0.2417 0.2400 0.1873 -0.0323 -0.0129 0.0154 102 GLY B N 2086 C CA . GLY B 102 ? 0.2795 0.2660 0.2160 -0.0345 -0.0122 0.0164 102 GLY B CA 2087 C C . GLY B 102 ? 0.2949 0.2632 0.2284 -0.0324 -0.0134 0.0157 102 GLY B C 2088 O O . GLY B 102 ? 0.3209 0.2770 0.2461 -0.0340 -0.0118 0.0174 102 GLY B O 2089 N N . GLY B 103 ? 0.2824 0.2493 0.2228 -0.0280 -0.0157 0.0139 103 GLY B N 2090 C CA . GLY B 103 ? 0.3109 0.2638 0.2503 -0.0240 -0.0170 0.0137 103 GLY B CA 2091 C C . GLY B 103 ? 0.3174 0.2655 0.2546 -0.0168 -0.0210 0.0160 103 GLY B C 2092 O O . GLY B 103 ? 0.3256 0.2783 0.2597 -0.0157 -0.0224 0.0174 103 GLY B O 2093 N N . THR B 104 ? 0.3243 0.2652 0.2636 -0.0115 -0.0230 0.0162 104 THR B N 2094 C CA . THR B 104 ? 0.3304 0.2695 0.2677 -0.0045 -0.0274 0.0185 104 THR B CA 2095 C C . THR B 104 ? 0.3234 0.2669 0.2704 0.0006 -0.0307 0.0163 104 THR B C 2096 O O . THR B 104 ? 0.3263 0.2655 0.2772 0.0008 -0.0285 0.0153 104 THR B O 2097 C CB . THR B 104 ? 0.3597 0.2845 0.2868 -0.0024 -0.0252 0.0233 104 THR B CB 2098 O OG1 . THR B 104 ? 0.3906 0.3124 0.3087 -0.0080 -0.0218 0.0252 104 THR B OG1 2099 C CG2 . THR B 104 ? 0.3379 0.2635 0.2631 0.0063 -0.0301 0.0267 104 THR B CG2 2100 N N . PHE B 105 ? 0.3153 0.2680 0.2663 0.0036 -0.0353 0.0148 105 PHE B N 2101 C CA . PHE B 105 ? 0.3037 0.2629 0.2648 0.0071 -0.0384 0.0122 105 PHE B CA 2102 C C . PHE B 105 ? 0.3093 0.2630 0.2703 0.0132 -0.0388 0.0152 105 PHE B C 2103 O O . PHE B 105 ? 0.3119 0.2596 0.2645 0.0172 -0.0394 0.0199 105 PHE B O 2104 C CB . PHE B 105 ? 0.3120 0.2814 0.2754 0.0084 -0.0431 0.0095 105 PHE B CB 2105 C CG . PHE B 105 ? 0.2881 0.2622 0.2559 0.0041 -0.0417 0.0054 105 PHE B CG 2106 C CD1 . PHE B 105 ? 0.2721 0.2477 0.2483 0.0017 -0.0386 0.0035 105 PHE B CD1 2107 C CD2 . PHE B 105 ? 0.2403 0.2173 0.2033 0.0030 -0.0428 0.0034 105 PHE B CD2 2108 C CE1 . PHE B 105 ? 0.2895 0.2681 0.2694 -0.0009 -0.0364 0.0009 105 PHE B CE1 2109 C CE2 . PHE B 105 ? 0.3001 0.2790 0.2667 0.0001 -0.0402 -0.0002 105 PHE B CE2 2110 C CZ . PHE B 105 ? 0.2967 0.2759 0.2718 -0.0014 -0.0368 -0.0009 105 PHE B CZ 2111 N N . ARG B 106 ? 0.2983 0.2536 0.2682 0.0144 -0.0377 0.0131 106 ARG B N 2112 C CA . ARG B 106 ? 0.3116 0.2647 0.2845 0.0215 -0.0378 0.0153 106 ARG B CA 2113 C C . ARG B 106 ? 0.3304 0.2662 0.2941 0.0236 -0.0327 0.0195 106 ARG B C 2114 O O . ARG B 106 ? 0.3479 0.2790 0.3115 0.0315 -0.0320 0.0230 106 ARG B O 2115 C CB . ARG B 106 ? 0.3309 0.2963 0.3071 0.0283 -0.0443 0.0168 106 ARG B CB 2116 C CG . ARG B 106 ? 0.3360 0.3171 0.3210 0.0243 -0.0483 0.0112 106 ARG B CG 2117 C CD . ARG B 106 ? 0.4148 0.4120 0.4042 0.0293 -0.0548 0.0111 106 ARG B CD 2118 N NE . ARG B 106 ? 0.4494 0.4508 0.4454 0.0372 -0.0551 0.0140 106 ARG B NE 2119 C CZ . ARG B 106 ? 0.4470 0.4591 0.4559 0.0374 -0.0552 0.0106 106 ARG B CZ 2120 N NH1 . ARG B 106 ? 0.3648 0.3834 0.3814 0.0296 -0.0550 0.0042 106 ARG B NH1 2121 N NH2 . ARG B 106 ? 0.4767 0.4923 0.4906 0.0461 -0.0548 0.0141 106 ARG B NH2 2122 N N . SER B 107 ? 0.3207 0.2469 0.2766 0.0164 -0.0283 0.0191 107 SER B N 2123 C CA . SER B 107 ? 0.3407 0.2478 0.2870 0.0162 -0.0218 0.0219 107 SER B CA 2124 C C . SER B 107 ? 0.3451 0.2459 0.2960 0.0153 -0.0167 0.0182 107 SER B C 2125 O O . SER B 107 ? 0.3170 0.2289 0.2774 0.0131 -0.0179 0.0137 107 SER B O 2126 C CB . SER B 107 ? 0.3369 0.2379 0.2741 0.0070 -0.0183 0.0217 107 SER B CB 2127 O OG . SER B 107 ? 0.3654 0.2742 0.3078 -0.0011 -0.0168 0.0161 107 SER B OG 2128 N N . LEU B 108 ? 0.3687 0.2501 0.3118 0.0166 -0.0100 0.0201 108 LEU B N 2129 C CA . LEU B 108 ? 0.3953 0.2677 0.3405 0.0149 -0.0035 0.0156 108 LEU B CA 2130 C C . LEU B 108 ? 0.3757 0.2548 0.3227 0.0030 -0.0015 0.0084 108 LEU B C 2131 O O . LEU B 108 ? 0.3807 0.2639 0.3341 0.0025 0.0004 0.0039 108 LEU B O 2132 C CB . LEU B 108 ? 0.4188 0.2650 0.3528 0.0169 0.0052 0.0183 108 LEU B CB 2133 C CG . LEU B 108 ? 0.4622 0.3010 0.3962 0.0319 0.0054 0.0256 108 LEU B CG 2134 C CD1 . LEU B 108 ? 0.5167 0.3261 0.4369 0.0332 0.0151 0.0299 108 LEU B CD1 2135 C CD2 . LEU B 108 ? 0.4605 0.3066 0.4059 0.0398 0.0053 0.0233 108 LEU B CD2 2136 N N . GLY B 109 ? 0.3679 0.2500 0.3094 -0.0061 -0.0016 0.0078 109 GLY B N 2137 C CA . GLY B 109 ? 0.3386 0.2311 0.2818 -0.0167 -0.0002 0.0022 109 GLY B CA 2138 C C . GLY B 109 ? 0.3234 0.2379 0.2762 -0.0164 -0.0065 0.0018 109 GLY B C 2139 O O . GLY B 109 ? 0.3188 0.2443 0.2731 -0.0235 -0.0056 -0.0013 109 GLY B O 2140 N N . SER B 110 ? 0.3034 0.2244 0.2622 -0.0084 -0.0122 0.0049 110 SER B N 2141 C CA . SER B 110 ? 0.2859 0.2238 0.2524 -0.0083 -0.0170 0.0046 110 SER B CA 2142 C C . SER B 110 ? 0.2648 0.2122 0.2418 -0.0068 -0.0175 0.0018 110 SER B C 2143 O O . SER B 110 ? 0.2636 0.2227 0.2466 -0.0073 -0.0198 0.0017 110 SER B O 2144 C CB . SER B 110 ? 0.2671 0.2081 0.2344 -0.0023 -0.0225 0.0078 110 SER B CB 2145 O OG . SER B 110 ? 0.3088 0.2494 0.2815 0.0054 -0.0247 0.0085 110 SER B OG 2146 N N . TRP B 111 ? 0.2619 0.2033 0.2406 -0.0049 -0.0143 -0.0002 111 TRP B N 2147 C CA . TRP B 111 ? 0.2500 0.2006 0.2391 -0.0022 -0.0149 -0.0022 111 TRP B CA 2148 C C . TRP B 111 ? 0.2318 0.1907 0.2235 -0.0080 -0.0119 -0.0052 111 TRP B C 2149 O O . TRP B 111 ? 0.2395 0.1935 0.2261 -0.0123 -0.0074 -0.0081 111 TRP B O 2150 C CB . TRP B 111 ? 0.2420 0.1857 0.2339 0.0050 -0.0136 -0.0022 111 TRP B CB 2151 C CG . TRP B 111 ? 0.2552 0.1965 0.2465 0.0126 -0.0179 0.0022 111 TRP B CG 2152 C CD1 . TRP B 111 ? 0.2676 0.1950 0.2511 0.0173 -0.0160 0.0055 111 TRP B CD1 2153 C CD2 . TRP B 111 ? 0.2585 0.2125 0.2562 0.0159 -0.0244 0.0036 111 TRP B CD2 2154 N NE1 . TRP B 111 ? 0.2496 0.1823 0.2343 0.0243 -0.0216 0.0098 111 TRP B NE1 2155 C CE2 . TRP B 111 ? 0.2760 0.2258 0.2694 0.0227 -0.0270 0.0079 111 TRP B CE2 2156 C CE3 . TRP B 111 ? 0.2137 0.1816 0.2199 0.0133 -0.0275 0.0015 111 TRP B CE3 2157 C CZ2 . TRP B 111 ? 0.2608 0.2227 0.2582 0.0265 -0.0335 0.0093 111 TRP B CZ2 2158 C CZ3 . TRP B 111 ? 0.2357 0.2126 0.2457 0.0160 -0.0331 0.0021 111 TRP B CZ3 2159 C CH2 . TRP B 111 ? 0.2819 0.2571 0.2873 0.0223 -0.0364 0.0056 111 TRP B CH2 2160 N N . PHE B 112 ? 0.2243 0.1958 0.2232 -0.0082 -0.0141 -0.0045 112 PHE B N 2161 C CA . PHE B 112 ? 0.2134 0.1945 0.2155 -0.0118 -0.0112 -0.0060 112 PHE B CA 2162 C C . PHE B 112 ? 0.2038 0.1912 0.2166 -0.0079 -0.0116 -0.0064 112 PHE B C 2163 O O . PHE B 112 ? 0.1987 0.1854 0.2170 -0.0032 -0.0147 -0.0059 112 PHE B O 2164 C CB . PHE B 112 ? 0.2155 0.2063 0.2170 -0.0147 -0.0121 -0.0032 112 PHE B CB 2165 C CG . PHE B 112 ? 0.2183 0.2080 0.2109 -0.0192 -0.0117 -0.0025 112 PHE B CG 2166 C CD1 . PHE B 112 ? 0.2175 0.2158 0.2057 -0.0255 -0.0087 -0.0035 112 PHE B CD1 2167 C CD2 . PHE B 112 ? 0.2265 0.2091 0.2151 -0.0178 -0.0142 -0.0008 112 PHE B CD2 2168 C CE1 . PHE B 112 ? 0.1967 0.1973 0.1777 -0.0307 -0.0084 -0.0030 112 PHE B CE1 2169 C CE2 . PHE B 112 ? 0.2240 0.2069 0.2047 -0.0226 -0.0133 0.0000 112 PHE B CE2 2170 C CZ . PHE B 112 ? 0.1879 0.1801 0.1654 -0.0292 -0.0104 -0.0012 112 PHE B CZ 2171 N N . ARG B 113 ? 0.2149 0.2100 0.2305 -0.0102 -0.0083 -0.0074 113 ARG B N 2172 C CA . ARG B 113 ? 0.2127 0.2152 0.2385 -0.0079 -0.0078 -0.0073 113 ARG B CA 2173 C C . ARG B 113 ? 0.1964 0.2087 0.2233 -0.0109 -0.0053 -0.0049 113 ARG B C 2174 O O . ARG B 113 ? 0.2042 0.2204 0.2239 -0.0145 -0.0036 -0.0041 113 ARG B O 2175 C CB . ARG B 113 ? 0.2059 0.2068 0.2349 -0.0056 -0.0048 -0.0107 113 ARG B CB 2176 C CG . ARG B 113 ? 0.2422 0.2336 0.2706 -0.0003 -0.0063 -0.0117 113 ARG B CG 2177 C CD . ARG B 113 ? 0.2633 0.2514 0.2932 0.0027 -0.0017 -0.0150 113 ARG B CD 2178 N NE . ARG B 113 ? 0.2670 0.2443 0.2949 0.0091 -0.0023 -0.0145 113 ARG B NE 2179 C CZ . ARG B 113 ? 0.3395 0.3114 0.3692 0.0152 0.0016 -0.0161 113 ARG B CZ 2180 N NH1 . ARG B 113 ? 0.3460 0.3229 0.3800 0.0151 0.0063 -0.0194 113 ARG B NH1 2181 N NH2 . ARG B 113 ? 0.3292 0.2907 0.3561 0.0223 0.0011 -0.0137 113 ARG B NH2 2182 N N . ILE B 114 ? 0.2223 0.2395 0.2573 -0.0096 -0.0048 -0.0031 114 ILE B N 2183 C CA . ILE B 114 ? 0.2056 0.2307 0.2419 -0.0111 -0.0013 0.0004 114 ILE B CA 2184 C C . ILE B 114 ? 0.2283 0.2580 0.2699 -0.0110 0.0021 -0.0019 114 ILE B C 2185 O O . ILE B 114 ? 0.2235 0.2521 0.2728 -0.0091 0.0013 -0.0044 114 ILE B O 2186 C CB . ILE B 114 ? 0.1973 0.2216 0.2386 -0.0101 -0.0011 0.0039 114 ILE B CB 2187 C CG1 . ILE B 114 ? 0.1677 0.1866 0.2040 -0.0094 -0.0040 0.0054 114 ILE B CG1 2188 C CG2 . ILE B 114 ? 0.2157 0.2461 0.2581 -0.0103 0.0038 0.0088 114 ILE B CG2 2189 C CD1 . ILE B 114 ? 0.1762 0.1909 0.2167 -0.0087 -0.0032 0.0070 114 ILE B CD1 2190 N N . GLU B 115 ? 0.2195 0.2564 0.2568 -0.0132 0.0057 -0.0013 115 GLU B N 2191 C CA . GLU B 115 ? 0.2208 0.2631 0.2620 -0.0133 0.0097 -0.0035 115 GLU B CA 2192 C C . GLU B 115 ? 0.2228 0.2756 0.2633 -0.0146 0.0139 0.0015 115 GLU B C 2193 O O . GLU B 115 ? 0.2258 0.2837 0.2596 -0.0157 0.0138 0.0055 115 GLU B O 2194 C CB . GLU B 115 ? 0.2407 0.2803 0.2754 -0.0147 0.0111 -0.0094 115 GLU B CB 2195 C CG . GLU B 115 ? 0.2562 0.2839 0.2918 -0.0117 0.0079 -0.0126 115 GLU B CG 2196 C CD . GLU B 115 ? 0.3259 0.3459 0.3551 -0.0121 0.0106 -0.0182 115 GLU B CD 2197 O OE1 . GLU B 115 ? 0.3901 0.4136 0.4123 -0.0166 0.0145 -0.0210 115 GLU B OE1 2198 O OE2 . GLU B 115 ? 0.4246 0.4346 0.4553 -0.0079 0.0093 -0.0197 115 GLU B OE2 2199 N N . ARG B 116 ? 0.2181 0.2754 0.2655 -0.0142 0.0177 0.0019 116 ARG B N 2200 C CA . ARG B 116 ? 0.2292 0.2963 0.2752 -0.0149 0.0225 0.0080 116 ARG B CA 2201 C C . ARG B 116 ? 0.2334 0.3102 0.2692 -0.0173 0.0240 0.0067 116 ARG B C 2202 O O . ARG B 116 ? 0.2419 0.3168 0.2743 -0.0190 0.0238 -0.0006 116 ARG B O 2203 C CB . ARG B 116 ? 0.2341 0.3042 0.2891 -0.0149 0.0271 0.0081 116 ARG B CB 2204 C CG . ARG B 116 ? 0.2386 0.3020 0.3036 -0.0147 0.0266 0.0091 116 ARG B CG 2205 C CD . ARG B 116 ? 0.2850 0.3532 0.3573 -0.0162 0.0330 0.0122 116 ARG B CD 2206 N NE . ARG B 116 ? 0.2866 0.3478 0.3675 -0.0180 0.0332 0.0125 116 ARG B NE 2207 C CZ . ARG B 116 ? 0.3075 0.3611 0.3866 -0.0183 0.0355 0.0183 116 ARG B CZ 2208 N NH1 . ARG B 116 ? 0.2720 0.3261 0.3420 -0.0156 0.0380 0.0259 116 ARG B NH1 2209 N NH2 . ARG B 116 ? 0.2943 0.3408 0.3809 -0.0213 0.0361 0.0164 116 ARG B NH2 2210 N N . HIS B 117 ? 0.2329 0.3202 0.2631 -0.0172 0.0258 0.0136 117 HIS B N 2211 C CA . HIS B 117 ? 0.2465 0.3474 0.2665 -0.0205 0.0268 0.0122 117 HIS B CA 2212 C C . HIS B 117 ? 0.2473 0.3618 0.2653 -0.0182 0.0308 0.0221 117 HIS B C 2213 O O . HIS B 117 ? 0.2478 0.3629 0.2662 -0.0145 0.0305 0.0306 117 HIS B O 2214 C CB . HIS B 117 ? 0.2537 0.3553 0.2665 -0.0227 0.0223 0.0106 117 HIS B CB 2215 C CG . HIS B 117 ? 0.2675 0.3863 0.2697 -0.0275 0.0229 0.0091 117 HIS B CG 2216 N ND1 . HIS B 117 ? 0.3300 0.4492 0.3260 -0.0335 0.0243 -0.0009 117 HIS B ND1 2217 C CD2 . HIS B 117 ? 0.3059 0.4431 0.3023 -0.0273 0.0225 0.0160 117 HIS B CD2 2218 C CE1 . HIS B 117 ? 0.3337 0.4716 0.3203 -0.0384 0.0244 -0.0011 117 HIS B CE1 2219 N NE2 . HIS B 117 ? 0.3648 0.5156 0.3519 -0.0344 0.0230 0.0095 117 HIS B NE2 2220 N N . GLY B 118 ? 0.2470 0.3711 0.2630 -0.0197 0.0352 0.0213 118 GLY B N 2221 C CA . GLY B 118 ? 0.2449 0.3804 0.2596 -0.0168 0.0400 0.0315 118 GLY B CA 2222 C C . GLY B 118 ? 0.2450 0.3675 0.2693 -0.0126 0.0425 0.0387 118 GLY B C 2223 O O . GLY B 118 ? 0.2315 0.3409 0.2649 -0.0135 0.0423 0.0335 118 GLY B O 2224 N N . ASP B 119 ? 0.2635 0.3896 0.2858 -0.0080 0.0451 0.0503 119 ASP B N 2225 C CA . ASP B 119 ? 0.2873 0.3972 0.3176 -0.0050 0.0484 0.0558 119 ASP B CA 2226 C C . ASP B 119 ? 0.2823 0.3798 0.3146 -0.0032 0.0441 0.0550 119 ASP B C 2227 O O . ASP B 119 ? 0.2816 0.3661 0.3183 -0.0006 0.0473 0.0600 119 ASP B O 2228 C CB . ASP B 119 ? 0.3268 0.4401 0.3552 -0.0004 0.0562 0.0690 119 ASP B CB 2229 C CG . ASP B 119 ? 0.3938 0.5085 0.4261 -0.0035 0.0624 0.0684 119 ASP B CG 2230 O OD1 . ASP B 119 ? 0.4817 0.5838 0.5240 -0.0072 0.0638 0.0624 119 ASP B OD1 2231 O OD2 . ASP B 119 ? 0.4748 0.6054 0.5000 -0.0024 0.0658 0.0737 119 ASP B OD2 2232 N N . SER B 120 ? 0.2575 0.3579 0.2862 -0.0051 0.0375 0.0483 120 SER B N 2233 C CA . SER B 120 ? 0.2621 0.3505 0.2928 -0.0039 0.0335 0.0467 120 SER B CA 2234 C C . SER B 120 ? 0.2469 0.3300 0.2786 -0.0082 0.0275 0.0355 120 SER B C 2235 O O . SER B 120 ? 0.2337 0.3134 0.2702 -0.0109 0.0278 0.0288 120 SER B O 2236 C CB . SER B 120 ? 0.2716 0.3676 0.2961 0.0010 0.0330 0.0551 120 SER B CB 2237 O OG . SER B 120 ? 0.2933 0.4089 0.3099 -0.0007 0.0303 0.0547 120 SER B OG 2238 N N . TYR B 121 ? 0.2441 0.3264 0.2717 -0.0082 0.0228 0.0339 121 TYR B N 2239 C CA . TYR B 121 ? 0.2307 0.3040 0.2590 -0.0113 0.0178 0.0246 121 TYR B CA 2240 C C . TYR B 121 ? 0.2219 0.3027 0.2417 -0.0145 0.0145 0.0212 121 TYR B C 2241 O O . TYR B 121 ? 0.2154 0.3106 0.2293 -0.0143 0.0151 0.0261 121 TYR B O 2242 C CB . TYR B 121 ? 0.2351 0.2941 0.2685 -0.0092 0.0156 0.0244 121 TYR B CB 2243 C CG . TYR B 121 ? 0.2370 0.2885 0.2788 -0.0081 0.0196 0.0266 121 TYR B CG 2244 C CD1 . TYR B 121 ? 0.2658 0.3120 0.3154 -0.0104 0.0189 0.0204 121 TYR B CD1 2245 C CD2 . TYR B 121 ? 0.2903 0.3402 0.3321 -0.0049 0.0247 0.0350 121 TYR B CD2 2246 C CE1 . TYR B 121 ? 0.2622 0.3032 0.3198 -0.0113 0.0230 0.0215 121 TYR B CE1 2247 C CE2 . TYR B 121 ? 0.2817 0.3226 0.3307 -0.0055 0.0297 0.0364 121 TYR B CE2 2248 C CZ . TYR B 121 ? 0.3233 0.3605 0.3802 -0.0096 0.0286 0.0291 121 TYR B CZ 2249 O OH . TYR B 121 ? 0.3705 0.4005 0.4348 -0.0120 0.0339 0.0296 121 TYR B OH 2250 N N . LYS B 122 ? 0.2258 0.2980 0.2447 -0.0175 0.0116 0.0129 122 LYS B N 2251 C CA . LYS B 122 ? 0.2320 0.3059 0.2431 -0.0215 0.0088 0.0091 122 LYS B CA 2252 C C . LYS B 122 ? 0.2262 0.2841 0.2392 -0.0207 0.0053 0.0056 122 LYS B C 2253 O O . LYS B 122 ? 0.2228 0.2706 0.2427 -0.0179 0.0048 0.0041 122 LYS B O 2254 C CB . LYS B 122 ? 0.2419 0.3207 0.2468 -0.0273 0.0107 0.0020 122 LYS B CB 2255 C CG . LYS B 122 ? 0.2537 0.3200 0.2626 -0.0267 0.0123 -0.0043 122 LYS B CG 2256 C CD . LYS B 122 ? 0.3145 0.3825 0.3157 -0.0324 0.0153 -0.0123 122 LYS B CD 2257 C CE . LYS B 122 ? 0.3159 0.3725 0.3219 -0.0298 0.0181 -0.0176 122 LYS B CE 2258 N NZ . LYS B 122 ? 0.3141 0.3669 0.3110 -0.0355 0.0222 -0.0268 122 LYS B NZ 2259 N N . LEU B 123 ? 0.2215 0.2791 0.2284 -0.0233 0.0029 0.0047 123 LEU B N 2260 C CA . LEU B 123 ? 0.2251 0.2678 0.2314 -0.0232 0.0001 0.0011 123 LEU B CA 2261 C C . LEU B 123 ? 0.2279 0.2654 0.2279 -0.0283 0.0016 -0.0059 123 LEU B C 2262 O O . LEU B 123 ? 0.2100 0.2577 0.2039 -0.0340 0.0037 -0.0081 123 LEU B O 2263 C CB . LEU B 123 ? 0.2154 0.2590 0.2181 -0.0233 -0.0024 0.0042 123 LEU B CB 2264 C CG . LEU B 123 ? 0.2146 0.2603 0.2226 -0.0177 -0.0026 0.0109 123 LEU B CG 2265 C CD1 . LEU B 123 ? 0.2810 0.3316 0.2851 -0.0172 -0.0038 0.0146 123 LEU B CD1 2266 C CD2 . LEU B 123 ? 0.2444 0.2770 0.2588 -0.0141 -0.0041 0.0096 123 LEU B CD2 2267 N N . VAL B 124 ? 0.2105 0.2327 0.2118 -0.0262 0.0009 -0.0094 124 VAL B N 2268 C CA . VAL B 124 ? 0.2334 0.2454 0.2275 -0.0303 0.0035 -0.0157 124 VAL B CA 2269 C C . VAL B 124 ? 0.2412 0.2391 0.2325 -0.0286 0.0012 -0.0151 124 VAL B C 2270 O O . VAL B 124 ? 0.2455 0.2414 0.2419 -0.0233 -0.0026 -0.0112 124 VAL B O 2271 C CB . VAL B 124 ? 0.2380 0.2439 0.2349 -0.0278 0.0071 -0.0201 124 VAL B CB 2272 C CG1 . VAL B 124 ? 0.2339 0.2543 0.2330 -0.0295 0.0098 -0.0203 124 VAL B CG1 2273 C CG2 . VAL B 124 ? 0.2539 0.2520 0.2596 -0.0196 0.0048 -0.0181 124 VAL B CG2 2274 N N . HIS B 125 ? 0.2691 0.2570 0.2515 -0.0338 0.0038 -0.0192 125 HIS B N 2275 C CA . HIS B 125 ? 0.2858 0.2589 0.2649 -0.0316 0.0024 -0.0178 125 HIS B CA 2276 C C . HIS B 125 ? 0.3149 0.2701 0.2913 -0.0290 0.0067 -0.0216 125 HIS B C 2277 O O . HIS B 125 ? 0.3442 0.2954 0.3154 -0.0343 0.0123 -0.0274 125 HIS B O 2278 C CB . HIS B 125 ? 0.2975 0.2715 0.2682 -0.0393 0.0027 -0.0179 125 HIS B CB 2279 C CG . HIS B 125 ? 0.2710 0.2285 0.2370 -0.0371 0.0022 -0.0161 125 HIS B CG 2280 N ND1 . HIS B 125 ? 0.2950 0.2343 0.2523 -0.0408 0.0074 -0.0196 125 HIS B ND1 2281 C CD2 . HIS B 125 ? 0.2207 0.1758 0.1891 -0.0310 -0.0022 -0.0109 125 HIS B CD2 2282 C CE1 . HIS B 125 ? 0.2974 0.2246 0.2519 -0.0365 0.0060 -0.0155 125 HIS B CE1 2283 N NE2 . HIS B 125 ? 0.3330 0.2707 0.2940 -0.0307 -0.0002 -0.0105 125 HIS B NE2 2284 N N . CYS B 126 ? 0.3212 0.2662 0.3006 -0.0206 0.0046 -0.0183 126 CYS B N 2285 C CA . CYS B 126 ? 0.3587 0.2882 0.3376 -0.0146 0.0086 -0.0199 126 CYS B CA 2286 C C . CYS B 126 ? 0.3705 0.2811 0.3414 -0.0122 0.0102 -0.0175 126 CYS B C 2287 O O . CYS B 126 ? 0.3582 0.2684 0.3322 -0.0047 0.0054 -0.0119 126 CYS B O 2288 C CB . CYS B 126 ? 0.3712 0.3084 0.3621 -0.0049 0.0054 -0.0174 126 CYS B CB 2289 S SG . CYS B 126 ? 0.4469 0.4040 0.4469 -0.0076 0.0053 -0.0196 126 CYS B SG 2290 N N . PRO B 127 ? 0.3880 0.2824 0.3480 -0.0188 0.0174 -0.0217 127 PRO B N 2291 C CA . PRO B 127 ? 0.3962 0.2719 0.3479 -0.0169 0.0193 -0.0181 127 PRO B CA 2292 C C . PRO B 127 ? 0.4081 0.2747 0.3640 -0.0026 0.0188 -0.0129 127 PRO B C 2293 O O . PRO B 127 ? 0.4022 0.2678 0.3634 0.0034 0.0217 -0.0149 127 PRO B O 2294 C CB . PRO B 127 ? 0.4267 0.2835 0.3667 -0.0262 0.0293 -0.0249 127 PRO B CB 2295 C CG . PRO B 127 ? 0.4238 0.2989 0.3644 -0.0379 0.0290 -0.0314 127 PRO B CG 2296 C CD . PRO B 127 ? 0.3917 0.2860 0.3452 -0.0302 0.0234 -0.0296 127 PRO B CD 2297 N N . ARG B 128 ? 0.4015 0.2624 0.3544 0.0029 0.0157 -0.0060 128 ARG B N 2298 C CA . ARG B 128 ? 0.4110 0.2677 0.3678 0.0174 0.0140 0.0004 128 ARG B CA 2299 C C . ARG B 128 ? 0.3879 0.2673 0.3596 0.0246 0.0069 0.0012 128 ARG B C 2300 O O . ARG B 128 ? 0.3969 0.2783 0.3741 0.0364 0.0055 0.0055 128 ARG B O 2301 C CB . ARG B 128 ? 0.4397 0.2715 0.3900 0.0237 0.0240 0.0006 128 ARG B CB 2302 C CG . ARG B 128 ? 0.4968 0.3034 0.4321 0.0140 0.0333 -0.0023 128 ARG B CG 2303 C CD . ARG B 128 ? 0.5836 0.3602 0.5111 0.0221 0.0447 -0.0009 128 ARG B CD 2304 N NE . ARG B 128 ? 0.6675 0.4354 0.5920 0.0349 0.0432 0.0103 128 ARG B NE 2305 C CZ . ARG B 128 ? 0.7250 0.4785 0.6382 0.0316 0.0452 0.0152 128 ARG B CZ 2306 N NH1 . ARG B 128 ? 0.7487 0.4938 0.6527 0.0153 0.0494 0.0094 128 ARG B NH1 2307 N NH2 . ARG B 128 ? 0.7639 0.5128 0.6747 0.0446 0.0432 0.0262 128 ARG B NH2 2308 N N . GLY B 129 ? 0.3607 0.2580 0.3391 0.0177 0.0030 -0.0026 129 GLY B N 2309 C CA . GLY B 129 ? 0.3591 0.2754 0.3512 0.0230 -0.0020 -0.0024 129 GLY B CA 2310 C C . GLY B 129 ? 0.3858 0.3026 0.3846 0.0281 0.0027 -0.0054 129 GLY B C 2311 O O . GLY B 129 ? 0.3901 0.3212 0.4004 0.0348 -0.0006 -0.0042 129 GLY B O 2312 N N . SER B 130 ? 0.4078 0.3098 0.3993 0.0243 0.0110 -0.0098 130 SER B N 2313 C CA . SER B 130 ? 0.4195 0.3220 0.4163 0.0280 0.0165 -0.0138 130 SER B CA 2314 C C . SER B 130 ? 0.4269 0.3252 0.4173 0.0171 0.0228 -0.0216 130 SER B C 2315 O O . SER B 130 ? 0.4223 0.3164 0.4037 0.0066 0.0235 -0.0239 130 SER B O 2316 C CB . SER B 130 ? 0.4494 0.3362 0.4447 0.0404 0.0219 -0.0108 130 SER B CB 2317 O OG . SER B 130 ? 0.4877 0.3493 0.4687 0.0364 0.0293 -0.0122 130 SER B OG 2318 N N . THR B 131 ? 0.4385 0.3409 0.4340 0.0192 0.0273 -0.0257 131 THR B N 2319 C CA . THR B 131 ? 0.4684 0.3667 0.4568 0.0098 0.0344 -0.0338 131 THR B CA 2320 C C . THR B 131 ? 0.5057 0.3765 0.4806 0.0078 0.0438 -0.0378 131 THR B C 2321 O O . THR B 131 ? 0.5156 0.3699 0.4890 0.0177 0.0466 -0.0337 131 THR B O 2322 C CB . THR B 131 ? 0.4650 0.3744 0.4623 0.0139 0.0375 -0.0370 131 THR B CB 2323 O OG1 . THR B 131 ? 0.4983 0.3982 0.5000 0.0270 0.0415 -0.0349 131 THR B OG1 2324 C CG2 . THR B 131 ? 0.4458 0.3801 0.4558 0.0145 0.0295 -0.0332 131 THR B CG2 2325 N N . PRO B 132 ? 0.5287 0.3946 0.4931 -0.0054 0.0490 -0.0458 132 PRO B N 2326 C CA . PRO B 132 ? 0.5106 0.3983 0.4762 -0.0159 0.0461 -0.0499 132 PRO B CA 2327 C C . PRO B 132 ? 0.4864 0.3881 0.4520 -0.0225 0.0379 -0.0456 132 PRO B C 2328 O O . PRO B 132 ? 0.4958 0.3865 0.4542 -0.0261 0.0375 -0.0440 132 PRO B O 2329 C CB . PRO B 132 ? 0.5339 0.4095 0.4864 -0.0272 0.0557 -0.0604 132 PRO B CB 2330 C CG . PRO B 132 ? 0.5611 0.4093 0.5031 -0.0284 0.0607 -0.0604 132 PRO B CG 2331 C CD . PRO B 132 ? 0.5582 0.3974 0.5078 -0.0118 0.0582 -0.0509 132 PRO B CD 2332 N N . CYS B 133 ? 0.4599 0.3850 0.4334 -0.0238 0.0322 -0.0434 133 CYS B N 2333 C CA . CYS B 133 ? 0.4369 0.3759 0.4108 -0.0288 0.0253 -0.0391 133 CYS B CA 2334 C C . CYS B 133 ? 0.4331 0.3834 0.3991 -0.0415 0.0272 -0.0441 133 CYS B C 2335 O O . CYS B 133 ? 0.4475 0.3977 0.4087 -0.0465 0.0331 -0.0512 133 CYS B O 2336 C CB . CYS B 133 ? 0.4187 0.3746 0.4052 -0.0222 0.0188 -0.0329 133 CYS B CB 2337 S SG . CYS B 133 ? 0.4584 0.4070 0.4549 -0.0085 0.0153 -0.0275 133 CYS B SG 2338 N N . ARG B 134 ? 0.3987 0.3599 0.3631 -0.0465 0.0225 -0.0406 134 ARG B N 2339 C CA . ARG B 134 ? 0.3987 0.3772 0.3573 -0.0574 0.0230 -0.0437 134 ARG B CA 2340 C C . ARG B 134 ? 0.3557 0.3578 0.3216 -0.0548 0.0170 -0.0365 134 ARG B C 2341 O O . ARG B 134 ? 0.3397 0.3426 0.3111 -0.0491 0.0120 -0.0296 134 ARG B O 2342 C CB . ARG B 134 ? 0.4204 0.3921 0.3693 -0.0669 0.0244 -0.0463 134 ARG B CB 2343 C CG . ARG B 134 ? 0.5072 0.4546 0.4465 -0.0721 0.0326 -0.0546 134 ARG B CG 2344 C CD . ARG B 134 ? 0.6305 0.5867 0.5611 -0.0853 0.0380 -0.0646 134 ARG B CD 2345 N NE . ARG B 134 ? 0.6962 0.6749 0.6232 -0.0964 0.0349 -0.0649 134 ARG B NE 2346 C CZ . ARG B 134 ? 0.7256 0.7239 0.6469 -0.1081 0.0367 -0.0717 134 ARG B CZ 2347 N NH1 . ARG B 134 ? 0.7283 0.7252 0.6456 -0.1110 0.0420 -0.0796 134 ARG B NH1 2348 N NH2 . ARG B 134 ? 0.7370 0.7584 0.6564 -0.1168 0.0332 -0.0707 134 ARG B NH2 2349 N N . ASP B 135 ? 0.3419 0.3627 0.3072 -0.0586 0.0180 -0.0379 135 ASP B N 2350 C CA . ASP B 135 ? 0.3196 0.3619 0.2907 -0.0555 0.0136 -0.0299 135 ASP B CA 2351 C C . ASP B 135 ? 0.3003 0.3512 0.2687 -0.0589 0.0102 -0.0261 135 ASP B C 2352 O O . ASP B 135 ? 0.3125 0.3628 0.2729 -0.0680 0.0118 -0.0313 135 ASP B O 2353 C CB . ASP B 135 ? 0.3310 0.3944 0.2998 -0.0594 0.0157 -0.0310 135 ASP B CB 2354 C CG . ASP B 135 ? 0.3590 0.4178 0.3311 -0.0556 0.0195 -0.0339 135 ASP B CG 2355 O OD1 . ASP B 135 ? 0.3629 0.4095 0.3433 -0.0473 0.0190 -0.0314 135 ASP B OD1 2356 O OD2 . ASP B 135 ? 0.4171 0.4873 0.3831 -0.0615 0.0230 -0.0388 135 ASP B OD2 2357 N N . VAL B 136 ? 0.2821 0.3410 0.2573 -0.0520 0.0063 -0.0175 136 VAL B N 2358 C CA . VAL B 136 ? 0.2757 0.3474 0.2495 -0.0536 0.0035 -0.0128 136 VAL B CA 2359 C C . VAL B 136 ? 0.2697 0.3683 0.2433 -0.0546 0.0036 -0.0087 136 VAL B C 2360 O O . VAL B 136 ? 0.2527 0.3577 0.2315 -0.0480 0.0039 -0.0033 136 VAL B O 2361 C CB . VAL B 136 ? 0.2757 0.3398 0.2560 -0.0449 0.0002 -0.0058 136 VAL B CB 2362 C CG1 . VAL B 136 ? 0.2722 0.3520 0.2512 -0.0456 -0.0017 -0.0005 136 VAL B CG1 2363 C CG2 . VAL B 136 ? 0.2708 0.3117 0.2499 -0.0440 -0.0004 -0.0091 136 VAL B CG2 2364 N N . GLY B 137 ? 0.2568 0.3722 0.2242 -0.0629 0.0035 -0.0109 137 GLY B N 2365 C CA . GLY B 137 ? 0.2739 0.4196 0.2401 -0.0641 0.0031 -0.0065 137 GLY B CA 2366 C C . GLY B 137 ? 0.2851 0.4492 0.2504 -0.0662 0.0008 -0.0025 137 GLY B C 2367 O O . GLY B 137 ? 0.2809 0.4329 0.2471 -0.0658 -0.0004 -0.0022 137 GLY B O 2368 N N . ILE B 138 ? 0.2939 0.4895 0.2575 -0.0679 0.0002 0.0012 138 ILE B N 2369 C CA . ILE B 138 ? 0.3216 0.5413 0.2850 -0.0701 -0.0018 0.0052 138 ILE B CA 2370 C C . ILE B 138 ? 0.3448 0.5779 0.3000 -0.0869 -0.0011 -0.0057 138 ILE B C 2371 O O . ILE B 138 ? 0.3518 0.5920 0.3014 -0.0947 0.0006 -0.0128 138 ILE B O 2372 C CB . ILE B 138 ? 0.3306 0.5797 0.2976 -0.0605 -0.0027 0.0172 138 ILE B CB 2373 C CG1 . ILE B 138 ? 0.3266 0.5604 0.3013 -0.0455 -0.0025 0.0278 138 ILE B CG1 2374 C CG2 . ILE B 138 ? 0.3348 0.6200 0.3000 -0.0658 -0.0047 0.0193 138 ILE B CG2 2375 C CD1 . ILE B 138 ? 0.3987 0.6510 0.3769 -0.0335 -0.0013 0.0406 138 ILE B CD1 2376 N N . GLU B 139 ? 0.3559 0.5912 0.3101 -0.0930 -0.0018 -0.0077 139 GLU B N 2377 C CA . GLU B 139 ? 0.3827 0.6343 0.3297 -0.1101 -0.0007 -0.0173 139 GLU B CA 2378 C C . GLU B 139 ? 0.3724 0.6591 0.3226 -0.1107 -0.0034 -0.0110 139 GLU B C 2379 O O . GLU B 139 ? 0.3482 0.6368 0.3054 -0.0981 -0.0052 -0.0002 139 GLU B O 2380 C CB . GLU B 139 ? 0.3988 0.6171 0.3403 -0.1202 0.0027 -0.0278 139 GLU B CB 2381 C CG . GLU B 139 ? 0.4744 0.6661 0.4101 -0.1244 0.0068 -0.0375 139 GLU B CG 2382 C CD . GLU B 139 ? 0.5724 0.7841 0.4999 -0.1387 0.0094 -0.0479 139 GLU B CD 2383 O OE1 . GLU B 139 ? 0.6341 0.8710 0.5573 -0.1519 0.0094 -0.0526 139 GLU B OE1 2384 O OE2 . GLU B 139 ? 0.6172 0.8203 0.5420 -0.1376 0.0118 -0.0521 139 GLU B OE2 2385 N N . THR B 140 ? 0.3885 0.7043 0.3335 -0.1257 -0.0032 -0.0180 140 THR B N 2386 C CA . THR B 140 ? 0.3915 0.7456 0.3395 -0.1290 -0.0056 -0.0136 140 THR B CA 2387 C C . THR B 140 ? 0.4053 0.7606 0.3475 -0.1489 -0.0032 -0.0256 140 THR B C 2388 O O . THR B 140 ? 0.4042 0.7800 0.3501 -0.1510 -0.0043 -0.0222 140 THR B O 2389 C CB . THR B 140 ? 0.3963 0.7980 0.3445 -0.1285 -0.0083 -0.0091 140 THR B CB 2390 O OG1 . THR B 140 ? 0.3964 0.7995 0.3358 -0.1417 -0.0065 -0.0210 140 THR B OG1 2391 C CG2 . THR B 140 ? 0.3984 0.8045 0.3536 -0.1067 -0.0100 0.0066 140 THR B CG2 2392 N N . VAL B 141 ? 0.4252 0.7585 0.3584 -0.1636 0.0009 -0.0395 141 VAL B N 2393 C CA . VAL B 141 ? 0.4439 0.7761 0.3701 -0.1846 0.0048 -0.0520 141 VAL B CA 2394 C C . VAL B 141 ? 0.4402 0.7546 0.3694 -0.1833 0.0059 -0.0485 141 VAL B C 2395 O O . VAL B 141 ? 0.4307 0.7067 0.3612 -0.1726 0.0069 -0.0446 141 VAL B O 2396 C CB . VAL B 141 ? 0.4667 0.7700 0.3817 -0.1992 0.0109 -0.0676 141 VAL B CB 2397 C CG1 . VAL B 141 ? 0.4839 0.7326 0.3974 -0.1914 0.0148 -0.0680 141 VAL B CG1 2398 C CG2 . VAL B 141 ? 0.5019 0.8191 0.4086 -0.2243 0.0152 -0.0816 141 VAL B CG2 2399 N N . GLY B 142 ? 0.4342 0.7798 0.3647 -0.1941 0.0055 -0.0495 142 GLY B N 2400 C CA . GLY B 142 ? 0.4219 0.7568 0.3550 -0.1940 0.0068 -0.0460 142 GLY B CA 2401 C C . GLY B 142 ? 0.3985 0.7409 0.3419 -0.1726 0.0025 -0.0304 142 GLY B C 2402 O O . GLY B 142 ? 0.4000 0.7328 0.3456 -0.1703 0.0035 -0.0267 142 GLY B O 2403 N N . GLY B 143 ? 0.3800 0.7386 0.3289 -0.1574 -0.0015 -0.0216 143 GLY B N 2404 C CA . GLY B 143 ? 0.3684 0.7327 0.3265 -0.1360 -0.0045 -0.0067 143 GLY B CA 2405 C C . GLY B 143 ? 0.3717 0.7853 0.3370 -0.1328 -0.0068 0.0015 143 GLY B C 2406 O O . GLY B 143 ? 0.3693 0.7883 0.3420 -0.1154 -0.0080 0.0137 143 GLY B O 2407 N N . GLY B 144 ? 0.3766 0.8269 0.3396 -0.1495 -0.0071 -0.0054 144 GLY B N 2408 C CA . GLY B 144 ? 0.3785 0.8807 0.3486 -0.1484 -0.0093 0.0015 144 GLY B CA 2409 C C . GLY B 144 ? 0.3706 0.9015 0.3485 -0.1271 -0.0126 0.0169 144 GLY B C 2410 O O . GLY B 144 ? 0.3602 0.9249 0.3460 -0.1183 -0.0136 0.0269 144 GLY B O 2411 N N . GLY B 145 ? 0.3605 0.8781 0.3359 -0.1188 -0.0135 0.0192 145 GLY B N 2412 C CA . GLY B 145 ? 0.3578 0.8960 0.3390 -0.0981 -0.0153 0.0344 145 GLY B CA 2413 C C . GLY B 145 ? 0.3621 0.8575 0.3451 -0.0796 -0.0136 0.0421 145 GLY B C 2414 O O . GLY B 145 ? 0.3712 0.8740 0.3563 -0.0650 -0.0139 0.0524 145 GLY B O 2415 N N . ARG B 146 ? 0.3502 0.8013 0.3318 -0.0804 -0.0116 0.0371 146 ARG B N 2416 C CA . ARG B 146 ? 0.3538 0.7658 0.3371 -0.0649 -0.0101 0.0429 146 ARG B CA 2417 C C . ARG B 146 ? 0.3399 0.7215 0.3172 -0.0712 -0.0098 0.0341 146 ARG B C 2418 O O . ARG B 146 ? 0.3528 0.7338 0.3237 -0.0884 -0.0097 0.0220 146 ARG B O 2419 C CB . ARG B 146 ? 0.3499 0.7328 0.3350 -0.0608 -0.0083 0.0431 146 ARG B CB 2420 C CG . ARG B 146 ? 0.4043 0.8089 0.3964 -0.0482 -0.0073 0.0543 146 ARG B CG 2421 C CD . ARG B 146 ? 0.4861 0.8559 0.4786 -0.0431 -0.0052 0.0538 146 ARG B CD 2422 N NE . ARG B 146 ? 0.5498 0.9290 0.5486 -0.0264 -0.0029 0.0653 146 ARG B NE 2423 C CZ . ARG B 146 ? 0.5802 0.9788 0.5841 -0.0107 -0.0015 0.0773 146 ARG B CZ 2424 N NH1 . ARG B 146 ? 0.5827 0.9956 0.5861 -0.0092 -0.0029 0.0803 146 ARG B NH1 2425 N NH2 . ARG B 146 ? 0.6138 1.0166 0.6227 0.0045 0.0020 0.0869 146 ARG B NH2 2426 N N . ARG B 147 ? 0.3245 0.6805 0.3038 -0.0578 -0.0088 0.0398 147 ARG B N 2427 C CA . ARG B 147 ? 0.3062 0.6306 0.2812 -0.0618 -0.0081 0.0322 147 ARG B CA 2428 C C . ARG B 147 ? 0.2985 0.5802 0.2746 -0.0576 -0.0069 0.0301 147 ARG B C 2429 O O . ARG B 147 ? 0.2856 0.5588 0.2665 -0.0453 -0.0063 0.0380 147 ARG B O 2430 C CB . ARG B 147 ? 0.3129 0.6428 0.2894 -0.0517 -0.0076 0.0394 147 ARG B CB 2431 C CG . ARG B 147 ? 0.3313 0.7045 0.3053 -0.0563 -0.0090 0.0411 147 ARG B CG 2432 C CD . ARG B 147 ? 0.3778 0.7599 0.3528 -0.0446 -0.0081 0.0508 147 ARG B CD 2433 N NE . ARG B 147 ? 0.4252 0.8521 0.3962 -0.0512 -0.0101 0.0511 147 ARG B NE 2434 C CZ . ARG B 147 ? 0.4586 0.8941 0.4238 -0.0569 -0.0101 0.0469 147 ARG B CZ 2435 N NH1 . ARG B 147 ? 0.4966 0.8991 0.4600 -0.0558 -0.0078 0.0430 147 ARG B NH1 2436 N NH2 . ARG B 147 ? 0.4694 0.9492 0.4306 -0.0635 -0.0123 0.0469 147 ARG B NH2 2437 N N . TYR B 148 ? 0.2860 0.5422 0.2569 -0.0679 -0.0063 0.0192 148 TYR B N 2438 C CA . TYR B 148 ? 0.2875 0.5065 0.2580 -0.0661 -0.0057 0.0161 148 TYR B CA 2439 C C . TYR B 148 ? 0.2791 0.4721 0.2476 -0.0668 -0.0048 0.0103 148 TYR B C 2440 O O . TYR B 148 ? 0.2845 0.4848 0.2488 -0.0749 -0.0039 0.0043 148 TYR B O 2441 C CB . TYR B 148 ? 0.2950 0.5097 0.2608 -0.0782 -0.0049 0.0093 148 TYR B CB 2442 C CG . TYR B 148 ? 0.3426 0.5608 0.3008 -0.0955 -0.0032 -0.0020 148 TYR B CG 2443 C CD1 . TYR B 148 ? 0.3866 0.5728 0.3392 -0.1014 -0.0008 -0.0107 148 TYR B CD1 2444 C CD2 . TYR B 148 ? 0.3706 0.6244 0.3270 -0.1063 -0.0033 -0.0045 148 TYR B CD2 2445 C CE1 . TYR B 148 ? 0.4147 0.6005 0.3593 -0.1176 0.0025 -0.0220 148 TYR B CE1 2446 C CE2 . TYR B 148 ? 0.4100 0.6661 0.3584 -0.1244 -0.0008 -0.0167 148 TYR B CE2 2447 C CZ . TYR B 148 ? 0.4208 0.6407 0.3628 -0.1301 0.0026 -0.0257 148 TYR B CZ 2448 O OH . TYR B 148 ? 0.4463 0.6641 0.3795 -0.1478 0.0067 -0.0384 148 TYR B OH 2449 N N . LEU B 149 ? 0.2634 0.4278 0.2346 -0.0587 -0.0049 0.0117 149 LEU B N 2450 C CA . LEU B 149 ? 0.2668 0.4085 0.2376 -0.0581 -0.0040 0.0070 149 LEU B CA 2451 C C . LEU B 149 ? 0.2883 0.4122 0.2521 -0.0692 -0.0024 -0.0029 149 LEU B C 2452 O O . LEU B 149 ? 0.3053 0.4209 0.2663 -0.0728 -0.0023 -0.0043 149 LEU B O 2453 C CB . LEU B 149 ? 0.2591 0.3797 0.2356 -0.0466 -0.0048 0.0116 149 LEU B CB 2454 C CG . LEU B 149 ? 0.2455 0.3742 0.2286 -0.0351 -0.0046 0.0210 149 LEU B CG 2455 C CD1 . LEU B 149 ? 0.2468 0.3516 0.2342 -0.0276 -0.0049 0.0221 149 LEU B CD1 2456 C CD2 . LEU B 149 ? 0.2828 0.4233 0.2668 -0.0343 -0.0032 0.0224 149 LEU B CD2 2457 N N . ALA B 150 ? 0.3075 0.4245 0.2680 -0.0743 -0.0002 -0.0098 150 ALA B N 2458 C CA . ALA B 150 ? 0.3362 0.4326 0.2894 -0.0840 0.0030 -0.0192 150 ALA B CA 2459 C C . ALA B 150 ? 0.3634 0.4434 0.3160 -0.0824 0.0056 -0.0242 150 ALA B C 2460 O O . ALA B 150 ? 0.3389 0.4316 0.2942 -0.0796 0.0054 -0.0230 150 ALA B O 2461 C CB . ALA B 150 ? 0.3440 0.4573 0.2899 -0.0990 0.0053 -0.0259 150 ALA B CB 2462 N N . PRO B 151 ? 0.4024 0.4542 0.3516 -0.0831 0.0083 -0.0289 151 PRO B N 2463 C CA . PRO B 151 ? 0.4404 0.4807 0.3875 -0.0840 0.0123 -0.0353 151 PRO B CA 2464 C C . PRO B 151 ? 0.4721 0.5316 0.4126 -0.0962 0.0153 -0.0427 151 PRO B C 2465 O O . PRO B 151 ? 0.4873 0.5552 0.4208 -0.1087 0.0171 -0.0478 151 PRO B O 2466 C CB . PRO B 151 ? 0.4624 0.4719 0.4042 -0.0851 0.0163 -0.0397 151 PRO B CB 2467 C CG . PRO B 151 ? 0.4394 0.4424 0.3839 -0.0792 0.0124 -0.0325 151 PRO B CG 2468 C CD . PRO B 151 ? 0.4065 0.4366 0.3539 -0.0811 0.0083 -0.0275 151 PRO B CD 2469 N N . ARG B 152 ? 0.4911 0.5601 0.4339 -0.0931 0.0157 -0.0431 152 ARG B N 2470 C CA . ARG B 152 ? 0.5253 0.6161 0.4622 -0.1030 0.0178 -0.0490 152 ARG B CA 2471 C C . ARG B 152 ? 0.5497 0.6304 0.4846 -0.1022 0.0223 -0.0553 152 ARG B C 2472 O O . ARG B 152 ? 0.5508 0.6098 0.4904 -0.0930 0.0237 -0.0542 152 ARG B O 2473 C CB . ARG B 152 ? 0.5133 0.6365 0.4555 -0.0982 0.0131 -0.0401 152 ARG B CB 2474 C CG . ARG B 152 ? 0.5490 0.6961 0.4908 -0.1024 0.0098 -0.0359 152 ARG B CG 2475 C CD . ARG B 152 ? 0.5939 0.7763 0.5373 -0.1002 0.0075 -0.0300 152 ARG B CD 2476 N NE . ARG B 152 ? 0.6553 0.8619 0.5899 -0.1148 0.0090 -0.0385 152 ARG B NE 2477 C CZ . ARG B 152 ? 0.6695 0.9096 0.6023 -0.1160 0.0077 -0.0359 152 ARG B CZ 2478 N NH1 . ARG B 152 ? 0.6516 0.9036 0.5907 -0.1024 0.0055 -0.0238 152 ARG B NH1 2479 N NH2 . ARG B 152 ? 0.6890 0.9509 0.6130 -0.1313 0.0090 -0.0456 152 ARG B NH2 2480 N N . ASP B 153 ? 0.5692 0.6693 0.4971 -0.1125 0.0246 -0.0620 153 ASP B N 2481 C CA . ASP B 153 ? 0.5897 0.6921 0.5146 -0.1133 0.0285 -0.0676 153 ASP B CA 2482 C C . ASP B 153 ? 0.5610 0.6792 0.4951 -0.1007 0.0247 -0.0566 153 ASP B C 2483 O O . ASP B 153 ? 0.5629 0.6676 0.5020 -0.0925 0.0266 -0.0556 153 ASP B O 2484 C CB . ASP B 153 ? 0.6165 0.7408 0.5299 -0.1300 0.0312 -0.0779 153 ASP B CB 2485 C CG . ASP B 153 ? 0.6578 0.7993 0.5685 -0.1400 0.0280 -0.0775 153 ASP B CG 2486 O OD1 . ASP B 153 ? 0.6963 0.8699 0.6112 -0.1373 0.0222 -0.0687 153 ASP B OD1 2487 O OD2 . ASP B 153 ? 0.6682 0.7922 0.5726 -0.1504 0.0318 -0.0856 153 ASP B OD2 2488 N N . ARG B 154 ? 0.5316 0.6779 0.4683 -0.0990 0.0198 -0.0479 154 ARG B N 2489 C CA . ARG B 154 ? 0.5058 0.6678 0.4491 -0.0886 0.0177 -0.0374 154 ARG B CA 2490 C C . ARG B 154 ? 0.4603 0.6141 0.4143 -0.0762 0.0137 -0.0255 154 ARG B C 2491 O O . ARG B 154 ? 0.4466 0.6079 0.4016 -0.0763 0.0104 -0.0211 154 ARG B O 2492 C CB . ARG B 154 ? 0.5240 0.7242 0.4620 -0.0938 0.0162 -0.0349 154 ARG B CB 2493 C CG . ARG B 154 ? 0.5540 0.7758 0.4987 -0.0821 0.0127 -0.0193 154 ARG B CG 2494 C CD . ARG B 154 ? 0.6187 0.8803 0.5570 -0.0863 0.0118 -0.0166 154 ARG B CD 2495 N NE . ARG B 154 ? 0.6462 0.9326 0.5812 -0.0936 0.0085 -0.0168 154 ARG B NE 2496 C CZ . ARG B 154 ? 0.6822 0.9889 0.6078 -0.1086 0.0088 -0.0274 154 ARG B CZ 2497 N NH1 . ARG B 154 ? 0.7051 1.0087 0.6220 -0.1183 0.0128 -0.0395 154 ARG B NH1 2498 N NH2 . ARG B 154 ? 0.6985 1.0296 0.6230 -0.1146 0.0056 -0.0265 154 ARG B NH2 2499 N N . PRO B 155 ? 0.4269 0.5659 0.3887 -0.0661 0.0145 -0.0211 155 PRO B N 2500 C CA . PRO B 155 ? 0.3851 0.5153 0.3563 -0.0559 0.0114 -0.0116 155 PRO B CA 2501 C C . PRO B 155 ? 0.3519 0.5050 0.3253 -0.0506 0.0094 -0.0002 155 PRO B C 2502 O O . PRO B 155 ? 0.3320 0.5059 0.3024 -0.0511 0.0108 0.0027 155 PRO B O 2503 C CB . PRO B 155 ? 0.3885 0.5029 0.3668 -0.0489 0.0135 -0.0109 155 PRO B CB 2504 C CG . PRO B 155 ? 0.4006 0.5260 0.3742 -0.0528 0.0175 -0.0155 155 PRO B CG 2505 C CD . PRO B 155 ? 0.4294 0.5628 0.3919 -0.0644 0.0186 -0.0247 155 PRO B CD 2506 N N . LEU B 156 ? 0.3167 0.4661 0.2945 -0.0452 0.0068 0.0063 156 LEU B N 2507 C CA . LEU B 156 ? 0.3018 0.4654 0.2836 -0.0365 0.0065 0.0186 156 LEU B CA 2508 C C . LEU B 156 ? 0.2934 0.4423 0.2826 -0.0280 0.0088 0.0237 156 LEU B C 2509 O O . LEU B 156 ? 0.2863 0.4135 0.2808 -0.0254 0.0082 0.0217 156 LEU B O 2510 C CB . LEU B 156 ? 0.2928 0.4573 0.2763 -0.0335 0.0039 0.0232 156 LEU B CB 2511 C CG . LEU B 156 ? 0.3174 0.4932 0.3050 -0.0228 0.0048 0.0363 156 LEU B CG 2512 C CD1 . LEU B 156 ? 0.3474 0.5563 0.3309 -0.0226 0.0054 0.0424 156 LEU B CD1 2513 C CD2 . LEU B 156 ? 0.3399 0.5111 0.3298 -0.0190 0.0031 0.0396 156 LEU B CD2 2514 N N . ALA B 157 ? 0.2764 0.4379 0.2659 -0.0241 0.0118 0.0303 157 ALA B N 2515 C CA . ALA B 157 ? 0.2636 0.4112 0.2605 -0.0168 0.0150 0.0360 157 ALA B CA 2516 C C . ALA B 157 ? 0.2496 0.3891 0.2511 -0.0091 0.0149 0.0441 157 ALA B C 2517 O O . ALA B 157 ? 0.2430 0.3980 0.2422 -0.0049 0.0149 0.0521 157 ALA B O 2518 C CB . ALA B 157 ? 0.2722 0.4346 0.2674 -0.0141 0.0191 0.0426 157 ALA B CB 2519 N N . VAL B 158 ? 0.2370 0.3538 0.2449 -0.0073 0.0149 0.0417 158 VAL B N 2520 C CA . VAL B 158 ? 0.2081 0.3145 0.2196 -0.0010 0.0155 0.0475 158 VAL B CA 2521 C C . VAL B 158 ? 0.2218 0.3114 0.2401 0.0029 0.0199 0.0503 158 VAL B C 2522 O O . VAL B 158 ? 0.2177 0.3018 0.2396 0.0001 0.0212 0.0464 158 VAL B O 2523 C CB . VAL B 158 ? 0.2021 0.2974 0.2133 -0.0036 0.0109 0.0409 158 VAL B CB 2524 C CG1 . VAL B 158 ? 0.1527 0.2644 0.1572 -0.0080 0.0077 0.0390 158 VAL B CG1 2525 C CG2 . VAL B 158 ? 0.1914 0.2703 0.2060 -0.0079 0.0089 0.0315 158 VAL B CG2 2526 N N . ARG B 159 ? 0.2061 0.2880 0.2259 0.0090 0.0226 0.0569 159 ARG B N 2527 C CA . ARG B 159 ? 0.2277 0.2908 0.2533 0.0110 0.0271 0.0579 159 ARG B CA 2528 C C . ARG B 159 ? 0.2386 0.2882 0.2650 0.0125 0.0257 0.0556 159 ARG B C 2529 O O . ARG B 159 ? 0.2445 0.3009 0.2668 0.0141 0.0226 0.0562 159 ARG B O 2530 C CB . ARG B 159 ? 0.2310 0.2953 0.2564 0.0177 0.0351 0.0696 159 ARG B CB 2531 C CG . ARG B 159 ? 0.2800 0.3538 0.3010 0.0263 0.0372 0.0800 159 ARG B CG 2532 C CD . ARG B 159 ? 0.3662 0.4474 0.3852 0.0337 0.0447 0.0930 159 ARG B CD 2533 N NE . ARG B 159 ? 0.4354 0.5369 0.4497 0.0419 0.0448 0.1032 159 ARG B NE 2534 C CZ . ARG B 159 ? 0.5225 0.6188 0.5362 0.0524 0.0506 0.1133 159 ARG B CZ 2535 N NH1 . ARG B 159 ? 0.5595 0.6280 0.5762 0.0549 0.0573 0.1137 159 ARG B NH1 2536 N NH2 . ARG B 159 ? 0.5444 0.6641 0.5545 0.0603 0.0502 0.1228 159 ARG B NH2 2537 N N . PHE B 160 ? 0.2621 0.2936 0.2934 0.0114 0.0283 0.0525 160 PHE B N 2538 C CA . PHE B 160 ? 0.2644 0.2820 0.2958 0.0119 0.0275 0.0490 160 PHE B CA 2539 C C . PHE B 160 ? 0.2855 0.2884 0.3182 0.0162 0.0362 0.0545 160 PHE B C 2540 O O . PHE B 160 ? 0.2903 0.2858 0.3269 0.0145 0.0417 0.0557 160 PHE B O 2541 C CB . PHE B 160 ? 0.2640 0.2746 0.2991 0.0052 0.0219 0.0380 160 PHE B CB 2542 C CG . PHE B 160 ? 0.2328 0.2544 0.2665 0.0016 0.0156 0.0333 160 PHE B CG 2543 C CD1 . PHE B 160 ? 0.2179 0.2449 0.2461 0.0012 0.0105 0.0315 160 PHE B CD1 2544 C CD2 . PHE B 160 ? 0.2355 0.2614 0.2731 -0.0016 0.0157 0.0307 160 PHE B CD2 2545 C CE1 . PHE B 160 ? 0.2532 0.2872 0.2792 -0.0026 0.0063 0.0269 160 PHE B CE1 2546 C CE2 . PHE B 160 ? 0.2025 0.2358 0.2381 -0.0045 0.0112 0.0258 160 PHE B CE2 2547 C CZ . PHE B 160 ? 0.1836 0.2199 0.2130 -0.0052 0.0068 0.0239 160 PHE B CZ 2548 N N . THR B 161 ? 0.2801 0.2776 0.3094 0.0216 0.0385 0.0577 161 THR B N 2549 C CA . THR B 161 ? 0.3006 0.2802 0.3302 0.0257 0.0479 0.0620 161 THR B CA 2550 C C . THR B 161 ? 0.3124 0.2778 0.3403 0.0250 0.0477 0.0555 161 THR B C 2551 O O . THR B 161 ? 0.2969 0.2700 0.3213 0.0266 0.0423 0.0539 161 THR B O 2552 C CB . THR B 161 ? 0.3188 0.3050 0.3450 0.0364 0.0549 0.0759 161 THR B CB 2553 O OG1 . THR B 161 ? 0.3815 0.3466 0.4083 0.0398 0.0663 0.0807 161 THR B OG1 2554 C CG2 . THR B 161 ? 0.3029 0.3001 0.3248 0.0433 0.0524 0.0796 161 THR B CG2 2555 N N . ARG B 162 ? 0.3258 0.2709 0.3557 0.0214 0.0536 0.0509 162 ARG B N 2556 C CA . ARG B 162 ? 0.3630 0.2952 0.3908 0.0185 0.0528 0.0424 162 ARG B CA 2557 C C . ARG B 162 ? 0.3725 0.3004 0.3944 0.0281 0.0576 0.0482 162 ARG B C 2558 O O . ARG B 162 ? 0.3763 0.3012 0.3966 0.0371 0.0662 0.0590 162 ARG B O 2559 C CB . ARG B 162 ? 0.3733 0.2861 0.4043 0.0109 0.0587 0.0350 162 ARG B CB 2560 C CG . ARG B 162 ? 0.4522 0.3594 0.4818 0.0042 0.0536 0.0228 162 ARG B CG 2561 C CD . ARG B 162 ? 0.4594 0.3659 0.4951 -0.0072 0.0505 0.0126 162 ARG B CD 2562 N NE . ARG B 162 ? 0.5418 0.4341 0.5751 -0.0133 0.0529 0.0026 162 ARG B NE 2563 C CZ . ARG B 162 ? 0.5548 0.4392 0.5924 -0.0236 0.0560 -0.0060 162 ARG B CZ 2564 N NH1 . ARG B 162 ? 0.5709 0.4603 0.6162 -0.0284 0.0571 -0.0052 162 ARG B NH1 2565 N NH2 . ARG B 162 ? 0.5925 0.4656 0.6266 -0.0298 0.0580 -0.0161 162 ARG B NH2 2566 N N . ALA B 163 ? 0.3877 0.3173 0.4063 0.0268 0.0520 0.0418 163 ALA B N 2567 C CA . ALA B 163 ? 0.4092 0.3363 0.4224 0.0353 0.0560 0.0458 163 ALA B CA 2568 C C . ALA B 163 ? 0.4483 0.3511 0.4587 0.0328 0.0631 0.0383 163 ALA B C 2569 O O . ALA B 163 ? 0.4432 0.3382 0.4555 0.0224 0.0603 0.0277 163 ALA B O 2570 C CB . ALA B 163 ? 0.3901 0.3339 0.4006 0.0341 0.0461 0.0427 163 ALA B CB 2571 N N . SER B 164 ? 0.4920 0.3830 0.4979 0.0415 0.0724 0.0425 164 SER B N 2572 C CA . SER B 164 ? 0.5322 0.4330 0.5355 0.0555 0.0767 0.0546 164 SER B CA 2573 C C . SER B 164 ? 0.5218 0.4418 0.5276 0.0648 0.0775 0.0691 164 SER B C 2574 O O . SER B 164 ? 0.5280 0.4571 0.5320 0.0767 0.0817 0.0788 164 SER B O 2575 C CB . SER B 164 ? 0.5674 0.4443 0.5662 0.0637 0.0906 0.0565 164 SER B CB 2576 O OG . SER B 164 ? 0.6080 0.4673 0.6029 0.0553 0.0912 0.0426 164 SER B OG 2577 S S . SO4 C . ? 0.8563 0.6926 0.7783 0.0045 0.0376 -0.0752 201 SO4 A S 2578 O O1 . SO4 C . ? 0.8525 0.7054 0.7704 0.0066 0.0374 -0.0753 201 SO4 A O1 2579 O O2 . SO4 C . ? 0.8830 0.6964 0.7950 0.0031 0.0448 -0.0859 201 SO4 A O2 2580 O O3 . SO4 C . ? 0.8438 0.6868 0.7681 -0.0060 0.0290 -0.0740 201 SO4 A O3 2581 O O4 . SO4 C . ? 0.8065 0.6424 0.7393 0.0141 0.0401 -0.0660 201 SO4 A O4 2582 S S . SO4 D . ? 0.9854 0.6462 0.9339 -0.0203 0.0876 -0.0245 202 SO4 A S 2583 O O1 . SO4 D . ? 0.9833 0.6638 0.9341 -0.0220 0.0798 -0.0157 202 SO4 A O1 2584 O O2 . SO4 D . ? 0.9859 0.6396 0.9354 -0.0001 0.0886 -0.0153 202 SO4 A O2 2585 O O3 . SO4 D . ? 1.0385 0.6654 0.9779 -0.0316 0.1001 -0.0292 202 SO4 A O3 2586 O O4 . SO4 D . ? 0.9751 0.6589 0.9291 -0.0282 0.0824 -0.0379 202 SO4 A O4 2587 S S . SO4 E . ? 0.4066 0.4940 0.4194 -0.1317 -0.0492 -0.0599 203 SO4 A S 2588 O O1 . SO4 E . ? 0.4065 0.4808 0.4149 -0.1149 -0.0490 -0.0548 203 SO4 A O1 2589 O O2 . SO4 E . ? 0.3823 0.4917 0.3889 -0.1453 -0.0536 -0.0686 203 SO4 A O2 2590 O O3 . SO4 E . ? 0.4080 0.5191 0.4342 -0.1268 -0.0515 -0.0511 203 SO4 A O3 2591 O O4 . SO4 E . ? 0.4421 0.4950 0.4517 -0.1399 -0.0416 -0.0651 203 SO4 A O4 2592 S S . SO4 F . ? 0.6968 0.4622 0.6654 -0.0417 0.0328 -0.0439 204 SO4 A S 2593 O O1 . SO4 F . ? 0.7251 0.4649 0.6858 -0.0340 0.0424 -0.0464 204 SO4 A O1 2594 O O2 . SO4 F . ? 0.6402 0.4255 0.6070 -0.0453 0.0252 -0.0505 204 SO4 A O2 2595 O O3 . SO4 F . ? 0.6655 0.4450 0.6435 -0.0313 0.0308 -0.0315 204 SO4 A O3 2596 O O4 . SO4 F . ? 0.7209 0.4769 0.6889 -0.0559 0.0342 -0.0469 204 SO4 A O4 2597 S S . SO4 G . ? 1.0459 0.9381 0.9849 0.0119 0.0058 0.0494 205 SO4 A S 2598 O O1 . SO4 G . ? 1.0246 0.9111 0.9710 0.0172 0.0053 0.0491 205 SO4 A O1 2599 O O2 . SO4 G . ? 1.0252 0.9149 0.9675 0.0027 0.0076 0.0395 205 SO4 A O2 2600 O O3 . SO4 G . ? 1.0705 0.9508 1.0018 0.0139 0.0120 0.0603 205 SO4 A O3 2601 O O4 . SO4 G . ? 1.0396 0.9529 0.9751 0.0135 -0.0009 0.0489 205 SO4 A O4 2602 C C1 . NAG H . ? 0.6124 0.4362 0.6242 0.0540 0.0645 0.1070 206 NAG A C1 2603 C C2 . NAG H . ? 0.6857 0.4824 0.6924 0.0683 0.0757 0.1176 206 NAG A C2 2604 C C3 . NAG H . ? 0.7214 0.5415 0.7303 0.0858 0.0774 0.1352 206 NAG A C3 2605 C C4 . NAG H . ? 0.6903 0.5317 0.7017 0.0813 0.0746 0.1445 206 NAG A C4 2606 C C5 . NAG H . ? 0.6343 0.5003 0.6502 0.0662 0.0637 0.1312 206 NAG A C5 2607 C C6 . NAG H . ? 0.6624 0.5394 0.6792 0.0595 0.0636 0.1392 206 NAG A C6 2608 C C7 . NAG H . ? 0.7458 0.4972 0.7446 0.0667 0.0820 0.0981 206 NAG A C7 2609 C C8 . NAG H . ? 0.7437 0.4896 0.7402 0.0743 0.0831 0.0896 206 NAG A C8 2610 N N2 . NAG H . ? 0.7097 0.4954 0.7143 0.0737 0.0769 0.1084 206 NAG A N2 2611 O O3 . NAG H . ? 0.8409 0.6329 0.8449 0.0998 0.0892 0.1471 206 NAG A O3 2612 O O4 . NAG H . ? 0.6821 0.5519 0.6953 0.0970 0.0747 0.1596 206 NAG A O4 2613 O O5 . NAG H . ? 0.6041 0.4486 0.6189 0.0520 0.0624 0.1162 206 NAG A O5 2614 O O6 . NAG H . ? 0.6755 0.5925 0.6956 0.0662 0.0578 0.1444 206 NAG A O6 2615 O O7 . NAG H . ? 0.7719 0.4987 0.7672 0.0538 0.0857 0.0949 206 NAG A O7 2616 C C1 . NAG I . ? 0.7364 0.5925 0.7461 0.1034 0.0835 0.1778 207 NAG A C1 2617 C C2 . NAG I . ? 0.7268 0.6240 0.7388 0.1158 0.0808 0.1934 207 NAG A C2 2618 C C3 . NAG I . ? 0.7583 0.6428 0.7660 0.1250 0.0907 0.2155 207 NAG A C3 2619 C C4 . NAG I . ? 0.8007 0.6365 0.8028 0.1345 0.1039 0.2224 207 NAG A C4 2620 C C5 . NAG I . ? 0.7972 0.5949 0.7973 0.1179 0.1051 0.2028 207 NAG A C5 2621 C C6 . NAG I . ? 0.8172 0.5628 0.8103 0.1242 0.1188 0.2062 207 NAG A C6 2622 C C7 . NAG I . ? 0.7075 0.6792 0.7274 0.1075 0.0620 0.1801 207 NAG A C7 2623 C C8 . NAG I . ? 0.6850 0.6895 0.7075 0.0957 0.0532 0.1721 207 NAG A C8 2624 N N2 . NAG I . ? 0.7087 0.6429 0.7246 0.1049 0.0706 0.1864 207 NAG A N2 2625 O O3 . NAG I . ? 0.7493 0.6758 0.7590 0.1395 0.0879 0.2296 207 NAG A O3 2626 O O4 . NAG I . ? 0.8203 0.6375 0.8176 0.1408 0.1143 0.2426 207 NAG A O4 2627 O O5 . NAG I . ? 0.7535 0.5700 0.7578 0.1136 0.0953 0.1849 207 NAG A O5 2628 O O6 . NAG I . ? 0.8112 0.5606 0.8049 0.1417 0.1203 0.2065 207 NAG A O6 2629 O O7 . NAG I . ? 0.7073 0.6872 0.7287 0.1183 0.0617 0.1798 207 NAG A O7 2630 C C1 . FUC J . ? 0.8959 0.6936 0.9004 0.1143 0.0901 0.1457 208 FUC A C1 2631 C C2 . FUC J . ? 0.9686 0.7215 0.9661 0.1237 0.1034 0.1487 208 FUC A C2 2632 C C3 . FUC J . ? 1.0138 0.7568 1.0090 0.1415 0.1140 0.1711 208 FUC A C3 2633 C C4 . FUC J . ? 0.9991 0.7904 1.0006 0.1574 0.1087 0.1851 208 FUC A C4 2634 C C5 . FUC J . ? 0.9523 0.7842 0.9596 0.1430 0.0952 0.1788 208 FUC A C5 2635 C C6 . FUC J . ? 0.9415 0.8236 0.9541 0.1552 0.0896 0.1913 208 FUC A C6 2636 O O2 . FUC J . ? 1.0008 0.7155 0.9926 0.1069 0.1073 0.1374 208 FUC A O2 2637 O O3 . FUC J . ? 1.0659 0.7695 1.0547 0.1536 0.1267 0.1733 208 FUC A O3 2638 O O4 . FUC J . ? 0.9996 0.8050 1.0036 0.1702 0.1079 0.1814 208 FUC A O4 2639 O O5 . FUC J . ? 0.9091 0.7454 0.9184 0.1294 0.0871 0.1581 208 FUC A O5 2640 C C1 . GOL K . ? 0.5935 0.5535 0.6241 0.0098 0.0121 -0.0383 209 GOL A C1 2641 O O1 . GOL K . ? 0.5900 0.5560 0.6184 0.0017 0.0108 -0.0412 209 GOL A O1 2642 C C2 . GOL K . ? 0.5846 0.5586 0.6189 0.0139 0.0136 -0.0391 209 GOL A C2 2643 O O2 . GOL K . ? 0.6049 0.5950 0.6407 0.0084 0.0107 -0.0382 209 GOL A O2 2644 C C3 . GOL K . ? 0.6097 0.5762 0.6395 0.0159 0.0207 -0.0480 209 GOL A C3 2645 O O3 . GOL K . ? 0.6171 0.5617 0.6433 0.0205 0.0251 -0.0492 209 GOL A O3 2646 C C1 . GOL L . ? 0.5663 0.6249 0.5529 0.0135 -0.0472 0.0255 210 GOL A C1 2647 O O1 . GOL L . ? 0.5460 0.5939 0.5226 0.0151 -0.0450 0.0282 210 GOL A O1 2648 C C2 . GOL L . ? 0.5911 0.6303 0.5839 0.0217 -0.0417 0.0294 210 GOL A C2 2649 O O2 . GOL L . ? 0.5994 0.6304 0.5870 0.0317 -0.0385 0.0391 210 GOL A O2 2650 C C3 . GOL L . ? 0.5953 0.6455 0.5992 0.0262 -0.0423 0.0310 210 GOL A C3 2651 O O3 . GOL L . ? 0.5405 0.5788 0.5497 0.0192 -0.0404 0.0228 210 GOL A O3 2652 C C1 . NAG M . ? 0.8345 0.7415 0.7952 -0.2186 0.0772 -0.1561 211 NAG A C1 2653 C C2 . NAG M . ? 0.9274 0.7875 0.8767 -0.2316 0.0904 -0.1661 211 NAG A C2 2654 C C3 . NAG M . ? 0.9533 0.8246 0.8989 -0.2602 0.0962 -0.1806 211 NAG A C3 2655 C C4 . NAG M . ? 0.9305 0.8343 0.8844 -0.2658 0.0913 -0.1717 211 NAG A C4 2656 C C5 . NAG M . ? 0.8686 0.8213 0.8336 -0.2512 0.0780 -0.1636 211 NAG A C5 2657 C C6 . NAG M . ? 0.8461 0.8386 0.8202 -0.2554 0.0728 -0.1560 211 NAG A C6 2658 C C7 . NAG M . ? 1.0036 0.8028 0.9439 -0.2060 0.0976 -0.1649 211 NAG A C7 2659 C C8 . NAG M . ? 1.0160 0.7982 0.9512 -0.1978 0.1012 -0.1732 211 NAG A C8 2660 N N2 . NAG M . ? 0.9693 0.8069 0.9128 -0.2234 0.0938 -0.1732 211 NAG A N2 2661 O O3 . NAG M . ? 1.0127 0.8354 0.9473 -0.2723 0.1098 -0.1883 211 NAG A O3 2662 O O4 . NAG M . ? 0.9631 0.8799 0.9147 -0.2933 0.0967 -0.1840 211 NAG A O4 2663 O O5 . NAG M . ? 0.8434 0.7783 0.8103 -0.2262 0.0740 -0.1506 211 NAG A O5 2664 O O6 . NAG M . ? 0.8263 0.7949 0.8003 -0.2500 0.0759 -0.1440 211 NAG A O6 2665 O O7 . NAG M . ? 1.0081 0.7879 0.9495 -0.1966 0.0985 -0.1511 211 NAG A O7 2666 S S . SO4 N . ? 0.9244 1.0249 0.8252 -0.2019 0.0358 -0.0464 201 SO4 B S 2667 O O1 . SO4 N . ? 0.9382 1.0329 0.8354 -0.2084 0.0400 -0.0438 201 SO4 B O1 2668 O O2 . SO4 N . ? 0.9330 0.9919 0.8293 -0.1912 0.0372 -0.0452 201 SO4 B O2 2669 O O3 . SO4 N . ? 0.9208 1.0353 0.8173 -0.2213 0.0398 -0.0584 201 SO4 B O3 2670 O O4 . SO4 N . ? 0.8866 1.0192 0.7990 -0.1871 0.0273 -0.0381 201 SO4 B O4 2671 S S . SO4 O . ? 0.9515 0.8544 0.8769 -0.0236 -0.0069 0.0141 202 SO4 B S 2672 O O1 . SO4 O . ? 0.9361 0.8493 0.8596 -0.0335 -0.0050 0.0121 202 SO4 B O1 2673 O O2 . SO4 O . ? 0.9630 0.8561 0.8808 -0.0180 -0.0078 0.0200 202 SO4 B O2 2674 O O3 . SO4 O . ? 0.9572 0.8461 0.8809 -0.0254 -0.0014 0.0112 202 SO4 B O3 2675 O O4 . SO4 O . ? 0.9444 0.8617 0.8806 -0.0176 -0.0129 0.0130 202 SO4 B O4 2676 S S . SO4 P . ? 0.8637 0.8127 0.8989 0.0443 0.0165 -0.0169 203 SO4 B S 2677 O O1 . SO4 P . ? 0.8593 0.8179 0.8952 0.0379 0.0082 -0.0144 203 SO4 B O1 2678 O O2 . SO4 P . ? 0.8719 0.8359 0.9209 0.0552 0.0148 -0.0142 203 SO4 B O2 2679 O O3 . SO4 P . ? 0.8765 0.8016 0.8996 0.0480 0.0211 -0.0155 203 SO4 B O3 2680 O O4 . SO4 P . ? 0.8542 0.8043 0.8873 0.0364 0.0220 -0.0233 203 SO4 B O4 2681 S S . SO4 Q . ? 0.7834 1.0018 0.7575 -0.0286 0.0220 0.0347 204 SO4 B S 2682 O O1 . SO4 Q . ? 0.7882 0.9849 0.7645 -0.0341 0.0197 0.0232 204 SO4 B O1 2683 O O2 . SO4 Q . ? 0.7731 0.9775 0.7550 -0.0199 0.0259 0.0434 204 SO4 B O2 2684 O O3 . SO4 Q . ? 0.8028 1.0381 0.7686 -0.0354 0.0240 0.0288 204 SO4 B O3 2685 O O4 . SO4 Q . ? 0.7856 1.0238 0.7577 -0.0254 0.0191 0.0431 204 SO4 B O4 2686 S S . SO4 R . ? 1.2407 1.3356 1.2185 -0.0501 0.0306 -0.0331 205 SO4 B S 2687 O O1 . SO4 R . ? 1.2518 1.3336 1.2256 -0.0526 0.0362 -0.0439 205 SO4 B O1 2688 O O2 . SO4 R . ? 1.2400 1.3578 1.2088 -0.0569 0.0300 -0.0323 205 SO4 B O2 2689 O O3 . SO4 R . ? 1.2410 1.3235 1.2210 -0.0487 0.0261 -0.0312 205 SO4 B O3 2690 O O4 . SO4 R . ? 1.2255 1.3240 1.2138 -0.0422 0.0306 -0.0250 205 SO4 B O4 2691 C C1 . GOL S . ? 0.5383 0.9706 0.5451 0.0242 0.0011 0.1073 206 GOL B C1 2692 O O1 . GOL S . ? 0.5073 0.9456 0.5100 0.0032 -0.0034 0.0929 206 GOL B O1 2693 C C2 . GOL S . ? 0.5317 0.9385 0.5419 0.0341 0.0052 0.1100 206 GOL B C2 2694 O O2 . GOL S . ? 0.5636 1.0006 0.5780 0.0366 0.0055 0.1140 206 GOL B O2 2695 C C3 . GOL S . ? 0.5381 0.9258 0.5506 0.0537 0.0113 0.1221 206 GOL B C3 2696 O O3 . GOL S . ? 0.5585 0.9485 0.5753 0.0680 0.0162 0.1309 206 GOL B O3 2697 C C1 . GOL T . ? 0.9165 1.2665 0.9028 0.0269 0.0098 0.1103 207 GOL B C1 2698 O O1 . GOL T . ? 0.9071 1.2789 0.8965 0.0383 0.0108 0.1222 207 GOL B O1 2699 C C2 . GOL T . ? 0.9199 1.2952 0.9000 0.0107 0.0047 0.0987 207 GOL B C2 2700 O O2 . GOL T . ? 0.9283 1.3377 0.9041 0.0138 0.0049 0.1068 207 GOL B O2 2701 C C3 . GOL T . ? 0.9111 1.3027 0.8912 0.0008 0.0002 0.0909 207 GOL B C3 2702 O O3 . GOL T . ? 0.8850 1.2455 0.8648 -0.0106 -0.0011 0.0764 207 GOL B O3 2703 C C1 . NAG U . ? 0.5780 0.7451 0.5695 0.0944 0.0561 0.0859 208 NAG B C1 2704 C C2 . NAG U . ? 0.6522 0.8236 0.6469 0.1137 0.0675 0.0947 208 NAG B C2 2705 C C3 . NAG U . ? 0.6641 0.7983 0.6519 0.1200 0.0757 0.0889 208 NAG B C3 2706 C C4 . NAG U . ? 0.6367 0.7638 0.6169 0.1089 0.0722 0.0783 208 NAG B C4 2707 C C5 . NAG U . ? 0.6112 0.7335 0.5888 0.0914 0.0606 0.0712 208 NAG B C5 2708 C C6 . NAG U . ? 0.6092 0.7221 0.5781 0.0811 0.0572 0.0618 208 NAG B C6 2709 C C7 . NAG U . ? 0.7244 0.9066 0.7287 0.1295 0.0711 0.1116 208 NAG B C7 2710 C C8 . NAG U . ? 0.7331 0.9454 0.7451 0.1435 0.0747 0.1264 208 NAG B C8 2711 N N2 . NAG U . ? 0.6868 0.8791 0.6893 0.1258 0.0707 0.1073 208 NAG B N2 2712 O O3 . NAG U . ? 0.6974 0.8333 0.6876 0.1386 0.0878 0.0971 208 NAG B O3 2713 O O4 . NAG U . ? 0.6456 0.7432 0.6181 0.1127 0.0791 0.0713 208 NAG B O4 2714 O O5 . NAG U . ? 0.5808 0.7329 0.5647 0.0858 0.0543 0.0764 208 NAG B O5 2715 O O6 . NAG U . ? 0.6136 0.7546 0.5840 0.0765 0.0551 0.0644 208 NAG B O6 2716 O O7 . NAG U . ? 0.7468 0.8995 0.7472 0.1226 0.0689 0.1048 208 NAG B O7 2717 C C1 . NAG V . ? 0.6140 0.7564 0.7349 0.0188 -0.0546 -0.0210 209 NAG B C1 2718 C C2 . NAG V . ? 0.6776 0.8336 0.8025 0.0329 -0.0575 -0.0153 209 NAG B C2 2719 C C3 . NAG V . ? 0.6870 0.8762 0.8291 0.0330 -0.0604 -0.0181 209 NAG B C3 2720 C C4 . NAG V . ? 0.6833 0.8752 0.8366 0.0248 -0.0540 -0.0228 209 NAG B C4 2721 C C5 . NAG V . ? 0.6623 0.8366 0.8097 0.0106 -0.0506 -0.0279 209 NAG B C5 2722 C C6 . NAG V . ? 0.6643 0.8380 0.8208 0.0034 -0.0431 -0.0308 209 NAG B C6 2723 C C7 . NAG V . ? 0.7319 0.8632 0.8340 0.0486 -0.0603 -0.0043 209 NAG B C7 2724 C C8 . NAG V . ? 0.7458 0.8755 0.8364 0.0544 -0.0657 0.0006 209 NAG B C8 2725 N N2 . NAG V . ? 0.7075 0.8595 0.8209 0.0396 -0.0628 -0.0107 209 NAG B N2 2726 O O3 . NAG V . ? 0.7104 0.9127 0.8567 0.0481 -0.0622 -0.0116 209 NAG B O3 2727 O O4 . NAG V . ? 0.6792 0.9034 0.8493 0.0230 -0.0562 -0.0260 209 NAG B O4 2728 O O5 . NAG V . ? 0.6394 0.7860 0.7710 0.0124 -0.0491 -0.0246 209 NAG B O5 2729 O O6 . NAG V . ? 0.6475 0.7992 0.7968 0.0070 -0.0368 -0.0271 209 NAG B O6 2730 O O7 . NAG V . ? 0.7430 0.8574 0.8431 0.0516 -0.0537 -0.0026 209 NAG B O7 2731 O O . HOH W . ? 0.1959 0.1471 0.2216 -0.0183 -0.0192 -0.0118 301 HOH A O 2732 O O . HOH W . ? 0.1837 0.1433 0.2037 -0.0211 0.0043 -0.0380 302 HOH A O 2733 O O . HOH W . ? 0.2415 0.1530 0.2581 0.0346 0.0014 0.0058 303 HOH A O 2734 O O . HOH W . ? 0.3038 0.1781 0.3125 0.0075 0.0239 -0.0351 304 HOH A O 2735 O O . HOH W . ? 0.1974 0.2575 0.2381 -0.0056 0.0023 -0.0173 305 HOH A O 2736 O O . HOH W . ? 0.2201 0.1364 0.2049 -0.0098 -0.0058 -0.0067 306 HOH A O 2737 O O . HOH W . ? 0.2159 0.1705 0.2335 0.0102 0.0042 -0.0054 307 HOH A O 2738 O O . HOH W . ? 0.1924 0.2806 0.2249 -0.0400 0.0047 -0.0291 308 HOH A O 2739 O O . HOH W . ? 0.1993 0.1234 0.2069 0.0169 0.0107 -0.0081 309 HOH A O 2740 O O . HOH W . ? 0.2838 0.2878 0.2837 0.0212 0.0283 -0.0147 310 HOH A O 2741 O O . HOH W . ? 0.3140 0.2376 0.2996 0.0504 0.0396 -0.0200 311 HOH A O 2742 O O . HOH W . ? 0.2653 0.1519 0.2550 -0.0656 0.0304 -0.0372 312 HOH A O 2743 O O . HOH W . ? 0.3106 0.2509 0.3305 0.0051 0.0005 -0.0035 313 HOH A O 2744 O O . HOH W . ? 0.2292 0.2439 0.2753 -0.0086 -0.0039 0.0090 314 HOH A O 2745 O O . HOH W . ? 0.2379 0.2054 0.2655 0.0085 0.0004 0.0037 315 HOH A O 2746 O O . HOH W . ? 0.3105 0.1661 0.2898 -0.0519 0.0012 -0.0476 316 HOH A O 2747 O O . HOH W . ? 0.2860 0.2407 0.2232 0.0050 0.0291 -0.0356 317 HOH A O 2748 O O . HOH W . ? 0.2801 0.3466 0.3119 -0.0087 0.0073 -0.0355 318 HOH A O 2749 O O . HOH W . ? 0.2735 0.2470 0.2772 0.0507 0.0346 -0.0081 319 HOH A O 2750 O O . HOH W . ? 0.2644 0.3029 0.2880 -0.0381 0.0019 -0.0411 320 HOH A O 2751 O O . HOH W . ? 0.2366 0.2728 0.2706 0.0401 -0.0307 0.0278 321 HOH A O 2752 O O . HOH W . ? 0.3915 0.4250 0.4045 -0.0905 0.0280 -0.0383 322 HOH A O 2753 O O . HOH W . ? 0.3023 0.1851 0.2853 0.0474 0.0392 -0.0199 323 HOH A O 2754 O O . HOH W . ? 0.3100 0.3192 0.3633 -0.0111 -0.0098 -0.0012 324 HOH A O 2755 O O . HOH W . ? 0.2748 0.2816 0.2749 -0.0157 0.0212 -0.0148 325 HOH A O 2756 O O . HOH W . ? 0.2871 0.5223 0.3293 -0.1032 0.0088 -0.0591 326 HOH A O 2757 O O . HOH W . ? 0.3206 0.3587 0.3749 -0.0029 -0.0027 -0.0077 327 HOH A O 2758 O O . HOH W . ? 0.3571 0.3816 0.4098 -0.0102 -0.0052 0.0029 328 HOH A O 2759 O O . HOH W . ? 0.5557 0.5239 0.5487 -0.0978 -0.0292 -0.0571 329 HOH A O 2760 O O . HOH W . ? 0.3203 0.1974 0.3377 0.0423 0.0309 -0.0265 330 HOH A O 2761 O O . HOH W . ? 0.3046 0.5201 0.3446 -0.0358 -0.0051 -0.0240 331 HOH A O 2762 O O . HOH W . ? 0.4704 0.2899 0.4393 -0.0677 0.0114 -0.0592 332 HOH A O 2763 O O . HOH W . ? 0.3044 0.2134 0.3295 0.0376 0.0152 -0.0150 333 HOH A O 2764 O O . HOH W . ? 0.3656 0.3034 0.3093 -0.0136 -0.0089 -0.0161 334 HOH A O 2765 O O . HOH W . ? 0.5290 0.4466 0.5125 -0.1273 0.0528 -0.0419 335 HOH A O 2766 O O . HOH W . ? 0.3343 0.4636 0.3600 -0.0660 0.0027 -0.0554 336 HOH A O 2767 O O . HOH W . ? 0.5473 0.3895 0.4860 -0.0329 0.0126 -0.0709 337 HOH A O 2768 O O . HOH W . ? 0.3307 0.4401 0.3696 0.0176 -0.0016 0.0252 338 HOH A O 2769 O O . HOH W . ? 0.5221 0.3693 0.5185 0.0621 0.0227 0.0292 339 HOH A O 2770 O O . HOH W . ? 0.3169 0.4782 0.3550 -0.0074 -0.0053 -0.0021 340 HOH A O 2771 O O . HOH W . ? 0.3758 0.3750 0.3921 0.0372 -0.0271 0.0282 341 HOH A O 2772 O O . HOH W . ? 0.3440 0.3320 0.3836 -0.0715 -0.0230 -0.0193 342 HOH A O 2773 O O . HOH W . ? 0.4392 0.4030 0.4692 0.0516 0.0228 0.0563 343 HOH A O 2774 O O . HOH W . ? 0.3236 0.3547 0.3885 0.0373 -0.0049 -0.0022 344 HOH A O 2775 O O . HOH W . ? 0.4684 0.4169 0.4039 -0.0131 0.0127 -0.0140 345 HOH A O 2776 O O . HOH W . ? 0.4641 0.3021 0.4520 0.0749 0.0570 0.0016 346 HOH A O 2777 O O . HOH W . ? 0.5121 0.2828 0.4778 -0.0783 0.0657 -0.0668 347 HOH A O 2778 O O . HOH W . ? 0.3581 0.4352 0.4244 -0.0087 0.0003 0.0048 348 HOH A O 2779 O O . HOH W . ? 0.5154 0.3899 0.5372 0.0717 0.0367 -0.0119 349 HOH A O 2780 O O . HOH W . ? 0.4202 0.3122 0.3699 -0.0207 0.0003 -0.0500 350 HOH A O 2781 O O . HOH W . ? 0.4630 0.4082 0.4260 -0.0547 0.0352 0.0037 351 HOH A O 2782 O O . HOH W . ? 0.4560 0.4132 0.4229 -0.0130 -0.0261 -0.0100 352 HOH A O 2783 O O . HOH W . ? 0.5270 0.4923 0.4691 -0.0131 0.0233 -0.0144 353 HOH A O 2784 O O . HOH W . ? 0.3058 0.4181 0.3414 0.0201 0.0269 -0.0015 354 HOH A O 2785 O O . HOH W . ? 0.4588 0.6827 0.5031 -0.0057 -0.0063 0.0030 355 HOH A O 2786 O O . HOH W . ? 0.4228 0.4993 0.4790 -0.0835 -0.0376 -0.0198 356 HOH A O 2787 O O . HOH W . ? 0.4647 0.4200 0.5074 -0.0452 -0.0089 -0.0004 357 HOH A O 2788 O O . HOH W . ? 0.7219 0.5306 0.6902 -0.1035 0.0640 -0.0896 358 HOH A O 2789 O O . HOH W . ? 0.4625 0.3891 0.4105 -0.0110 0.0011 -0.0288 359 HOH A O 2790 O O . HOH W . ? 0.4647 0.2336 0.4254 0.0285 0.0430 0.0379 360 HOH A O 2791 O O . HOH W . ? 0.4970 0.5821 0.5286 0.0321 -0.0434 0.0313 361 HOH A O 2792 O O . HOH W . ? 0.3063 0.3767 0.3251 -0.0268 0.0074 -0.0540 362 HOH A O 2793 O O . HOH W . ? 0.4041 0.3406 0.4356 0.0256 0.0082 -0.0201 363 HOH A O 2794 O O . HOH W . ? 0.3840 0.3804 0.4378 -0.0514 -0.0166 -0.0031 364 HOH A O 2795 O O . HOH W . ? 0.3955 0.3588 0.4426 -0.0351 -0.0023 0.0136 365 HOH A O 2796 O O . HOH W . ? 0.3233 0.3922 0.4000 -0.0051 -0.0138 0.0019 366 HOH A O 2797 O O . HOH W . ? 0.3806 0.0918 0.3477 0.0057 0.0832 -0.0629 367 HOH A O 2798 O O . HOH W . ? 0.4085 0.4816 0.4147 -0.0727 0.0126 -0.0864 368 HOH A O 2799 O O . HOH W . ? 0.4520 0.2158 0.4128 -0.0315 0.0523 -0.0016 369 HOH A O 2800 O O . HOH W . ? 0.4651 0.3522 0.4469 -0.1141 0.0486 -0.0899 370 HOH A O 2801 O O . HOH W . ? 0.5133 0.5723 0.5731 0.0574 -0.0213 0.0268 371 HOH A O 2802 O O . HOH W . ? 0.5542 0.6392 0.6343 -0.0013 -0.0212 0.0044 372 HOH A O 2803 O O . HOH W . ? 0.4806 0.4995 0.5185 0.0018 0.0077 -0.0353 373 HOH A O 2804 O O . HOH W . ? 0.4247 0.3090 0.4460 0.0362 0.0357 0.0637 374 HOH A O 2805 O O . HOH W . ? 0.3470 0.2746 0.3754 0.0461 0.0051 0.0025 375 HOH A O 2806 O O . HOH W . ? 0.7002 0.5324 0.6151 0.0513 0.0718 -0.0779 376 HOH A O 2807 O O . HOH W . ? 0.4162 0.4608 0.4604 0.0666 -0.0233 0.0391 377 HOH A O 2808 O O . HOH W . ? 0.4131 0.4575 0.4641 -0.0333 0.0332 0.0984 378 HOH A O 2809 O O . HOH W . ? 0.4875 0.4034 0.4303 -0.0182 -0.0035 -0.0422 379 HOH A O 2810 O O . HOH W . ? 0.3808 0.2477 0.3946 0.0198 0.0254 0.0227 380 HOH A O 2811 O O . HOH W . ? 0.5402 0.5673 0.5770 0.0572 0.0164 0.0486 381 HOH A O 2812 O O . HOH W . ? 0.4359 0.5991 0.4567 -0.0911 0.0052 -0.0750 382 HOH A O 2813 O O . HOH W . ? 0.5048 0.3174 0.4725 -0.0952 0.0130 -0.0682 383 HOH A O 2814 O O . HOH W . ? 0.4487 0.2866 0.4064 -0.0566 0.0430 0.0082 384 HOH A O 2815 O O . HOH W . ? 0.4703 0.4428 0.4682 -0.0311 0.0353 -0.0991 385 HOH A O 2816 O O . HOH W . ? 0.6531 0.7726 0.6870 -0.0184 0.0239 -0.0119 386 HOH A O 2817 O O . HOH W . ? 0.4353 0.4639 0.4598 0.0009 0.0232 -0.0633 387 HOH A O 2818 O O . HOH W . ? 0.6043 0.6054 0.6660 -0.0520 0.0043 0.0287 388 HOH A O 2819 O O . HOH W . ? 0.6232 0.4421 0.6259 0.0184 0.0367 0.0178 389 HOH A O 2820 O O . HOH W . ? 0.8470 0.6299 0.8048 -0.1305 0.0780 -0.1037 390 HOH A O 2821 O O . HOH W . ? 0.5349 0.3246 0.4866 -0.0925 0.0668 -0.0051 391 HOH A O 2822 O O . HOH W . ? 0.5938 0.5580 0.5986 -0.0094 0.0381 -0.0906 392 HOH A O 2823 O O . HOH W . ? 0.4471 0.3643 0.4526 0.0069 0.0449 -0.0834 393 HOH A O 2824 O O . HOH W . ? 0.4222 0.4953 0.4629 0.0729 0.0180 0.0752 394 HOH A O 2825 O O . HOH W . ? 0.5295 0.4854 0.4525 -0.0202 0.0198 0.0036 395 HOH A O 2826 O O . HOH W . ? 0.6007 0.6490 0.5745 -0.0432 -0.0504 -0.0245 396 HOH A O 2827 O O . HOH W . ? 0.4310 0.3348 0.3843 -0.0364 -0.0106 -0.0524 397 HOH A O 2828 O O . HOH W . ? 0.5264 0.4274 0.5370 0.0520 0.0054 0.0214 398 HOH A O 2829 O O . HOH W . ? 0.3966 0.5416 0.4920 0.0173 -0.0262 0.0145 399 HOH A O 2830 O O . HOH W . ? 0.3476 0.3516 0.4070 -0.0385 -0.0070 0.0116 400 HOH A O 2831 O O . HOH W . ? 0.4878 0.4061 0.5063 0.0684 0.0057 0.0281 401 HOH A O 2832 O O . HOH W . ? 0.4365 0.4880 0.4327 -0.0448 -0.0498 -0.0219 402 HOH A O 2833 O O . HOH W . ? 0.5640 0.4450 0.4904 -0.0223 0.0276 0.0434 403 HOH A O 2834 O O . HOH W . ? 0.4197 0.2669 0.4203 0.0516 0.0415 0.0145 404 HOH A O 2835 O O . HOH W . ? 0.4794 0.3874 0.4561 0.0350 -0.0053 0.0405 405 HOH A O 2836 O O . HOH W . ? 0.4528 0.3595 0.4756 0.0452 0.0305 0.0539 406 HOH A O 2837 O O . HOH W . ? 0.7398 0.6099 0.6711 -0.0259 0.0090 -0.0684 407 HOH A O 2838 O O . HOH W . ? 0.6172 0.6098 0.6579 -0.0999 -0.0208 -0.0261 408 HOH A O 2839 O O . HOH W . ? 0.5618 0.3926 0.5437 -0.0244 0.0596 -0.0961 409 HOH A O 2840 O O . HOH W . ? 0.5805 0.4250 0.5974 0.0234 0.0630 0.1206 410 HOH A O 2841 O O . HOH W . ? 0.4002 0.3847 0.4447 0.0175 0.0025 -0.0215 411 HOH A O 2842 O O . HOH W . ? 0.6651 0.6499 0.7117 -0.0377 0.0373 0.0971 412 HOH A O 2843 O O . HOH W . ? 0.5982 0.3970 0.5923 0.0366 0.0474 0.0146 413 HOH A O 2844 O O . HOH W . ? 0.5379 0.3407 0.5254 -0.0921 0.0204 -0.0429 414 HOH A O 2845 O O . HOH W . ? 0.6227 0.3702 0.5790 -0.0885 0.0335 -0.0692 415 HOH A O 2846 O O . HOH W . ? 0.5004 0.4329 0.4412 -0.0250 -0.0137 -0.0393 416 HOH A O 2847 O O . HOH W . ? 0.8252 0.6142 0.8018 -0.0229 0.0656 -0.0863 417 HOH A O 2848 O O . HOH W . ? 0.5516 0.4227 0.5344 0.0719 0.0542 -0.0135 418 HOH A O 2849 O O . HOH W . ? 0.7779 0.8752 0.8620 -0.0628 0.0144 0.0492 419 HOH A O 2850 O O . HOH W . ? 0.6455 0.5699 0.6744 0.0720 0.0113 0.0168 420 HOH A O 2851 O O . HOH W . ? 0.6039 0.6257 0.6480 -0.0336 0.0466 0.1260 421 HOH A O 2852 O O . HOH W . ? 0.5360 0.4522 0.5632 0.0419 0.0289 -0.0354 422 HOH A O 2853 O O . HOH W . ? 0.7001 0.3278 0.6481 0.0544 0.0968 0.0189 423 HOH A O 2854 O O . HOH W . ? 0.6688 0.6162 0.6133 -0.0176 -0.0178 -0.0204 424 HOH A O 2855 O O . HOH W . ? 0.4597 0.5101 0.4605 -0.0454 0.0217 -0.0932 425 HOH A O 2856 O O . HOH W . ? 0.3928 0.5022 0.4560 -0.0343 0.0224 0.0701 426 HOH A O 2857 O O . HOH W . ? 0.6604 0.7023 0.6712 -0.0572 0.0270 -0.0205 427 HOH A O 2858 O O . HOH W . ? 0.4912 0.5933 0.5026 -0.1855 0.0405 -0.0995 428 HOH A O 2859 O O . HOH W . ? 0.5975 0.4411 0.5626 0.0216 0.0166 0.0382 429 HOH A O 2860 O O . HOH W . ? 0.5828 0.4408 0.5378 -0.0992 0.0609 0.0040 430 HOH A O 2861 O O . HOH W . ? 0.6593 0.3970 0.6601 0.0155 0.0796 0.0957 431 HOH A O 2862 O O . HOH W . ? 0.7892 0.6956 0.7891 0.1597 0.1077 0.2780 432 HOH A O 2863 O O . HOH W . ? 0.5685 0.5022 0.5278 -0.0924 -0.0231 -0.0748 433 HOH A O 2864 O O . HOH W . ? 0.7652 0.5275 0.7503 -0.0288 0.0394 -0.0141 434 HOH A O 2865 O O . HOH W . ? 0.4211 0.4382 0.4286 -0.0644 0.0153 -0.0780 435 HOH A O 2866 O O . HOH W . ? 0.5781 0.4493 0.5204 -0.0136 0.0200 0.0346 436 HOH A O 2867 O O . HOH W . ? 0.5530 0.3878 0.4996 -0.0304 0.0356 0.0293 437 HOH A O 2868 O O . HOH W . ? 0.8248 0.4647 0.8038 0.1219 0.1381 0.1780 438 HOH A O 2869 O O . HOH W . ? 0.6146 0.5514 0.5776 -0.1591 0.0601 -0.1609 439 HOH A O 2870 O O . HOH W . ? 0.9154 0.6031 0.9013 0.1269 0.1168 0.1259 440 HOH A O 2871 O O . HOH W . ? 0.3902 0.4613 0.4410 -0.0198 0.0213 0.0767 441 HOH A O 2872 O O . HOH W . ? 0.6748 0.5516 0.6063 -0.0387 0.0369 0.0370 442 HOH A O 2873 O O . HOH W . ? 0.6908 0.5724 0.6183 -0.0034 0.0174 0.0506 443 HOH A O 2874 O O . HOH W . ? 0.5011 0.6560 0.5610 -0.0978 -0.0523 -0.0246 444 HOH A O 2875 O O . HOH W . ? 0.8230 0.5937 0.7834 -0.0053 0.0450 0.0176 445 HOH A O 2876 O O . HOH W . ? 0.7468 0.5014 0.7133 -0.0412 0.0739 -0.0880 446 HOH A O 2877 O O . HOH W . ? 0.5834 0.4302 0.5397 -0.0797 0.0017 -0.0749 447 HOH A O 2878 O O . HOH W . ? 0.6843 0.4507 0.6490 0.0697 0.0725 -0.0182 448 HOH A O 2879 O O . HOH W . ? 0.6110 0.5571 0.6342 0.0667 0.0306 0.0358 449 HOH A O 2880 O O . HOH W . ? 0.7384 0.5968 0.7180 0.0641 0.0153 0.0551 450 HOH A O 2881 O O . HOH W . ? 0.5412 0.6038 0.6192 -0.0580 0.0062 0.0353 451 HOH A O 2882 O O . HOH W . ? 0.5002 0.7803 0.5636 0.0091 0.0014 0.0138 452 HOH A O 2883 O O . HOH W . ? 0.6262 0.6107 0.5988 -0.1180 -0.0337 -0.0770 453 HOH A O 2884 O O . HOH W . ? 0.7716 0.5632 0.7751 0.0199 0.0496 0.0404 454 HOH A O 2885 O O . HOH W . ? 0.6553 0.6201 0.6838 0.0629 0.0259 0.0468 455 HOH A O 2886 O O . HOH W . ? 0.8043 0.6518 0.8019 0.1829 0.1208 0.2736 456 HOH A O 2887 O O . HOH W . ? 0.6136 0.4309 0.5742 0.0051 0.0276 0.0310 457 HOH A O 2888 O O . HOH W . ? 0.7632 0.9940 0.8256 0.0325 0.0094 0.0232 458 HOH A O 2889 O O . HOH W . ? 0.4886 0.2553 0.4375 -0.1200 0.0868 -0.1355 459 HOH A O 2890 O O . HOH W . ? 0.7768 0.4859 0.7257 -0.0741 0.0797 -0.0302 460 HOH A O 2891 O O . HOH X . ? 0.4017 0.4983 0.4098 -0.0404 0.0119 -0.0741 301 HOH B O 2892 O O . HOH X . ? 0.1802 0.1572 0.2126 -0.0105 -0.0045 -0.0029 302 HOH B O 2893 O O . HOH X . ? 0.1859 0.1595 0.1689 -0.0098 -0.0229 0.0045 303 HOH B O 2894 O O . HOH X . ? 0.1898 0.2059 0.2410 -0.0039 -0.0102 -0.0070 304 HOH B O 2895 O O . HOH X . ? 0.2741 0.3657 0.2816 0.0302 0.0169 0.0674 305 HOH B O 2896 O O . HOH X . ? 0.2440 0.3008 0.2509 0.0181 0.0101 0.0490 306 HOH B O 2897 O O . HOH X . ? 0.3466 0.3774 0.2904 -0.0333 -0.0082 0.0212 307 HOH B O 2898 O O . HOH X . ? 0.2129 0.2586 0.2069 0.0097 0.0009 0.0358 308 HOH B O 2899 O O . HOH X . ? 0.2953 0.2992 0.3512 0.0292 -0.0152 -0.0085 309 HOH B O 2900 O O . HOH X . ? 0.2381 0.3289 0.2334 -0.0295 0.0035 0.0096 310 HOH B O 2901 O O . HOH X . ? 0.2628 0.3875 0.2276 -0.0649 -0.0047 0.0064 311 HOH B O 2902 O O . HOH X . ? 0.2323 0.3099 0.2821 -0.0120 0.0377 0.0312 312 HOH B O 2903 O O . HOH X . ? 0.3317 0.2652 0.2731 -0.0624 0.0200 -0.0343 313 HOH B O 2904 O O . HOH X . ? 0.3346 0.3539 0.2666 -0.0530 -0.0039 0.0173 314 HOH B O 2905 O O . HOH X . ? 0.2812 0.3562 0.2795 0.0077 0.0018 0.0424 315 HOH B O 2906 O O . HOH X . ? 0.3662 0.3924 0.3014 -0.0660 -0.0014 0.0102 316 HOH B O 2907 O O . HOH X . ? 0.2923 0.2039 0.2572 -0.0090 -0.0018 -0.0045 317 HOH B O 2908 O O . HOH X . ? 0.3170 0.2773 0.2327 -0.0264 -0.0151 0.0227 318 HOH B O 2909 O O . HOH X . ? 0.3250 0.3153 0.3866 -0.0450 -0.0081 -0.0417 319 HOH B O 2910 O O . HOH X . ? 0.2677 0.2891 0.3097 0.0051 0.0362 0.0505 320 HOH B O 2911 O O . HOH X . ? 0.3910 0.3807 0.3900 0.0066 -0.0436 -0.0013 321 HOH B O 2912 O O . HOH X . ? 0.3031 0.3207 0.3865 -0.0230 0.0097 -0.0033 322 HOH B O 2913 O O . HOH X . ? 0.4833 0.3377 0.4022 0.0241 -0.0065 0.0351 323 HOH B O 2914 O O . HOH X . ? 0.3108 0.7535 0.2731 -0.1238 -0.0108 0.0049 324 HOH B O 2915 O O . HOH X . ? 0.4495 0.7380 0.4484 0.0953 0.0408 0.1680 325 HOH B O 2916 O O . HOH X . ? 0.3268 0.6906 0.3173 -0.0249 -0.0061 0.0642 326 HOH B O 2917 O O . HOH X . ? 0.4460 0.3995 0.4057 0.0137 0.0096 -0.0034 327 HOH B O 2918 O O . HOH X . ? 0.4548 0.5770 0.4662 0.1203 0.0663 0.1447 328 HOH B O 2919 O O . HOH X . ? 0.4482 0.5480 0.3834 0.0017 0.0182 0.0373 329 HOH B O 2920 O O . HOH X . ? 0.4171 0.5748 0.4304 -0.0090 0.0593 0.0595 330 HOH B O 2921 O O . HOH X . ? 0.5484 0.4027 0.5974 -0.0566 0.0740 -0.0300 331 HOH B O 2922 O O . HOH X . ? 0.4006 0.4830 0.2916 -0.0690 0.0245 0.0390 332 HOH B O 2923 O O . HOH X . ? 0.3157 0.3496 0.3808 0.0150 -0.0344 -0.0100 333 HOH B O 2924 O O . HOH X . ? 0.4160 0.2939 0.3477 -0.0408 0.0175 -0.0149 334 HOH B O 2925 O O . HOH X . ? 0.3811 0.3397 0.3171 0.0026 -0.0379 0.0161 335 HOH B O 2926 O O . HOH X . ? 0.5640 0.4143 0.5169 -0.0087 0.0392 -0.0323 336 HOH B O 2927 O O . HOH X . ? 0.4225 0.5428 0.4307 0.0852 0.0438 0.1067 337 HOH B O 2928 O O . HOH X . ? 0.4292 0.6349 0.4110 0.0627 0.0464 0.0730 338 HOH B O 2929 O O . HOH X . ? 0.7716 0.6794 0.6495 -0.1609 0.0563 -0.0717 339 HOH B O 2930 O O . HOH X . ? 0.2992 0.3702 0.4130 -0.0230 -0.0182 -0.0270 340 HOH B O 2931 O O . HOH X . ? 0.5555 0.8607 0.4797 -0.1631 0.0046 -0.0496 341 HOH B O 2932 O O . HOH X . ? 0.4328 0.5322 0.5527 -0.0534 -0.0311 -0.0550 342 HOH B O 2933 O O . HOH X . ? 0.4088 0.5455 0.3995 0.0572 0.0304 0.0715 343 HOH B O 2934 O O . HOH X . ? 0.3951 0.2406 0.3266 -0.0175 0.0203 -0.0065 344 HOH B O 2935 O O . HOH X . ? 0.4944 0.5783 0.6150 -0.0443 -0.0229 -0.0438 345 HOH B O 2936 O O . HOH X . ? 0.4741 0.3989 0.4126 0.0285 -0.0351 0.0314 346 HOH B O 2937 O O . HOH X . ? 0.3389 0.3960 0.4452 -0.0168 0.0032 -0.0128 347 HOH B O 2938 O O . HOH X . ? 0.4861 0.3476 0.4056 -0.0120 0.0025 0.0159 348 HOH B O 2939 O O . HOH X . ? 0.5557 0.6366 0.5714 -0.0264 0.0275 -0.0129 349 HOH B O 2940 O O . HOH X . ? 0.4793 0.4773 0.4673 0.0045 -0.0505 -0.0058 350 HOH B O 2941 O O . HOH X . ? 0.3900 0.3502 0.3914 -0.0172 -0.0137 -0.0273 351 HOH B O 2942 O O . HOH X . ? 0.6533 0.4988 0.6899 -0.0623 0.0702 -0.0474 352 HOH B O 2943 O O . HOH X . ? 0.3359 0.5497 0.3241 -0.0028 0.0159 0.0652 353 HOH B O 2944 O O . HOH X . ? 0.4522 0.4321 0.3505 -0.0757 0.0093 0.0210 354 HOH B O 2945 O O . HOH X . ? 0.3942 0.6162 0.3705 -0.0280 0.0124 0.0378 355 HOH B O 2946 O O . HOH X . ? 0.4861 0.5340 0.5471 -0.0108 -0.0454 -0.0263 356 HOH B O 2947 O O . HOH X . ? 0.4395 0.4430 0.4818 0.0040 0.0085 -0.0209 357 HOH B O 2948 O O . HOH X . ? 0.4672 0.3865 0.4405 0.0425 -0.0235 0.0228 358 HOH B O 2949 O O . HOH X . ? 0.5240 0.7998 0.5171 0.1079 0.0542 0.1888 359 HOH B O 2950 O O . HOH X . ? 0.5504 0.5270 0.5386 0.0415 0.0330 0.0362 360 HOH B O 2951 O O . HOH X . ? 0.3498 0.4104 0.3941 -0.0148 0.0250 -0.0134 361 HOH B O 2952 O O . HOH X . ? 0.4628 0.7581 0.4210 -0.1286 0.0003 -0.0026 362 HOH B O 2953 O O . HOH X . ? 0.5906 0.4817 0.4812 -0.1102 0.0346 -0.0221 363 HOH B O 2954 O O . HOH X . ? 0.4968 0.6983 0.4736 -0.0053 0.0129 0.0529 364 HOH B O 2955 O O . HOH X . ? 0.4654 0.5061 0.4508 0.0514 0.0305 0.0525 365 HOH B O 2956 O O . HOH X . ? 0.2453 0.2296 0.2460 -0.0041 -0.0278 -0.0010 366 HOH B O 2957 O O . HOH X . ? 0.4132 0.3521 0.4700 -0.0197 0.0426 0.0114 367 HOH B O 2958 O O . HOH X . ? 0.5072 0.6544 0.5148 -0.0013 0.0362 0.0616 368 HOH B O 2959 O O . HOH X . ? 0.4288 0.4938 0.5464 -0.0243 -0.0033 -0.0205 369 HOH B O 2960 O O . HOH X . ? 0.3155 0.5322 0.2767 -0.0651 0.0036 0.0028 370 HOH B O 2961 O O . HOH X . ? 0.4828 0.4444 0.3963 -0.0554 -0.0013 0.0166 371 HOH B O 2962 O O . HOH X . ? 0.2955 0.9056 0.2918 -0.0480 -0.0170 0.0761 372 HOH B O 2963 O O . HOH X . ? 0.5911 0.5694 0.5021 -0.1220 0.0386 -0.0720 373 HOH B O 2964 O O . HOH X . ? 0.4584 0.5383 0.3833 -0.0191 0.0100 0.0337 374 HOH B O 2965 O O . HOH X . ? 0.4035 0.6099 0.3650 -0.0554 0.0155 0.0017 375 HOH B O 2966 O O . HOH X . ? 0.3239 0.3477 0.4054 -0.0203 0.0194 0.0066 376 HOH B O 2967 O O . HOH X . ? 0.4379 0.5911 0.4377 0.0490 0.0215 0.0779 377 HOH B O 2968 O O . HOH X . ? 0.3636 0.5200 0.3232 -0.0584 0.0013 0.0268 378 HOH B O 2969 O O . HOH X . ? 0.4558 0.4127 0.3926 0.0202 -0.0466 0.0239 379 HOH B O 2970 O O . HOH X . ? 0.5181 0.4162 0.4689 0.0211 0.0428 -0.0191 380 HOH B O 2971 O O . HOH X . ? 0.3960 0.4032 0.4114 0.0142 -0.0487 -0.0026 381 HOH B O 2972 O O . HOH X . ? 0.5235 0.7164 0.4871 -0.0745 -0.0005 0.0203 382 HOH B O 2973 O O . HOH X . ? 0.3892 0.4574 0.4978 -0.0005 -0.0016 -0.0167 383 HOH B O 2974 O O . HOH X . ? 0.4443 0.5712 0.3887 -0.0828 0.0045 0.0164 384 HOH B O 2975 O O . HOH X . ? 0.5238 0.4487 0.5113 0.0612 -0.0210 0.0256 385 HOH B O 2976 O O . HOH X . ? 0.4972 0.6874 0.4484 -0.1071 0.0044 0.0062 386 HOH B O 2977 O O . HOH X . ? 0.4653 0.3573 0.3899 -0.0661 0.0262 -0.0308 387 HOH B O 2978 O O . HOH X . ? 0.5656 0.8630 0.4670 -0.2648 0.0276 -0.0923 388 HOH B O 2979 O O . HOH X . ? 0.4184 0.4633 0.4572 0.0087 0.0464 0.0658 389 HOH B O 2980 O O . HOH X . ? 0.5784 0.4111 0.4936 -0.0215 0.0192 0.0040 390 HOH B O 2981 O O . HOH X . ? 0.4723 0.9635 0.4862 -0.0092 -0.0017 0.0884 391 HOH B O 2982 O O . HOH X . ? 0.4436 0.5097 0.5561 -0.0198 0.0154 -0.0094 392 HOH B O 2983 O O . HOH X . ? 0.5818 0.4563 0.5370 0.0907 -0.0094 0.0524 393 HOH B O 2984 O O . HOH X . ? 0.5770 0.5786 0.4817 -0.1251 0.0222 -0.0096 394 HOH B O 2985 O O . HOH X . ? 0.5128 0.5205 0.4889 0.0580 0.0408 0.0438 395 HOH B O 2986 O O . HOH X . ? 0.6005 0.8037 0.5690 0.0359 0.0397 0.0616 396 HOH B O 2987 O O . HOH X . ? 0.3898 0.4709 0.4405 0.0384 -0.0668 -0.0004 397 HOH B O 2988 O O . HOH X . ? 0.5997 1.0536 0.5180 -0.2361 0.0038 -0.0727 398 HOH B O 2989 O O . HOH X . ? 0.4641 0.4018 0.5369 -0.0370 0.0489 0.0012 399 HOH B O 2990 O O . HOH X . ? 0.5735 0.5010 0.5540 0.0899 -0.0251 0.0452 400 HOH B O 2991 O O . HOH X . ? 0.6195 0.6328 0.6735 -0.0473 -0.0250 -0.0529 401 HOH B O 2992 O O . HOH X . ? 0.5346 0.5643 0.5994 0.0346 -0.0320 -0.0043 402 HOH B O 2993 O O . HOH X . ? 0.5564 0.5114 0.6160 -0.0606 0.0133 -0.0512 403 HOH B O 2994 O O . HOH X . ? 0.6053 0.5797 0.6157 -0.0322 -0.0210 -0.0453 404 HOH B O 2995 O O . HOH X . ? 0.5027 0.5374 0.3819 -0.0763 0.0216 0.0376 405 HOH B O 2996 O O . HOH X . ? 0.4861 0.7747 0.4698 -0.0021 0.0054 0.0749 406 HOH B O 2997 O O . HOH X . ? 0.6286 0.9928 0.6448 0.0483 0.0150 0.1081 407 HOH B O 2998 O O . HOH X . ? 0.5902 0.5267 0.4842 -0.0947 0.0192 0.0054 408 HOH B O 2999 O O . HOH X . ? 0.5497 0.5015 0.4442 -0.1312 0.0309 -0.0217 409 HOH B O 3000 O O . HOH X . ? 0.4807 0.4803 0.3810 -0.1495 0.0389 -0.0752 410 HOH B O 3001 O O . HOH X . ? 0.3991 0.5676 0.4007 -0.0043 0.0436 0.0633 411 HOH B O 3002 O O . HOH X . ? 0.4386 0.9183 0.3853 -0.1911 -0.0051 -0.0328 412 HOH B O 3003 O O . HOH X . ? 0.6549 0.7762 0.6447 0.1772 0.1168 0.1086 413 HOH B O 3004 O O . HOH X . ? 0.3989 0.3742 0.3678 0.0091 -0.0025 0.0063 414 HOH B O 3005 O O . HOH X . ? 0.6160 0.7233 0.6223 0.0870 0.0760 0.1603 415 HOH B O 3006 O O . HOH X . ? 0.5288 0.6407 0.4492 -0.1467 0.0180 -0.0537 416 HOH B O 3007 O O . HOH X . ? 0.6727 0.7283 0.6794 0.0300 -0.0725 0.0018 417 HOH B O 3008 O O . HOH X . ? 0.5820 0.8887 0.5607 -0.0727 -0.0042 0.0301 418 HOH B O 3009 O O . HOH X . ? 0.5180 0.5143 0.5864 -0.0157 0.0363 0.0247 419 HOH B O 3010 O O . HOH X . ? 0.4039 0.9011 0.3742 -0.0718 -0.0148 0.0444 420 HOH B O 3011 O O . HOH X . ? 0.4186 0.5092 0.5250 0.0292 -0.0371 -0.0129 421 HOH B O 3012 O O . HOH X . ? 0.7099 0.7749 0.6088 -0.1434 0.0455 -0.0991 422 HOH B O 3013 O O . HOH X . ? 0.5743 0.6730 0.6953 0.0100 -0.0288 -0.0205 423 HOH B O 3014 O O . HOH X . ? 0.5146 0.4707 0.4990 0.0515 -0.0387 0.0257 424 HOH B O 3015 O O . HOH X . ? 0.7031 0.9047 0.6040 -0.1764 0.0234 -0.0844 425 HOH B O 3016 O O . HOH X . ? 0.5353 0.8286 0.5440 0.0841 0.0485 0.1006 426 HOH B O 3017 O O . HOH X . ? 0.4643 0.8524 0.4621 0.0653 0.0164 0.1449 427 HOH B O 3018 O O . HOH X . ? 0.6730 0.6026 0.6516 0.0213 0.0293 0.0039 428 HOH B O 3019 O O . HOH X . ? 0.5267 0.4937 0.5032 0.0468 0.0391 0.0300 429 HOH B O 3020 O O . HOH X . ? 0.6316 0.9453 0.6149 -0.0465 0.0152 0.0512 430 HOH B O 3021 O O . HOH X . ? 0.5800 0.7127 0.5267 -0.0778 0.0320 -0.0481 431 HOH B O 3022 O O . HOH X . ? 0.6270 0.5342 0.5442 -0.0558 0.0076 0.0010 432 HOH B O 3023 O O . HOH X . ? 0.5561 0.6134 0.6031 0.0514 -0.0582 0.0084 433 HOH B O 3024 O O . HOH X . ? 0.5017 0.4777 0.5056 0.0633 -0.0401 0.0254 434 HOH B O 3025 O O . HOH X . ? 0.6310 0.6409 0.7370 -0.0415 0.0459 0.0068 435 HOH B O 3026 O O . HOH X . ? 0.5357 0.5773 0.6385 -0.0257 0.0087 -0.0101 436 HOH B O 3027 O O . HOH X . ? 0.7374 0.7993 0.6552 -0.1356 0.0238 -0.0600 437 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 ALA 1 1 1 ALA ALA A . n A 1 2 ILE 2 2 2 ILE ILE A . n A 1 3 LEU 3 3 3 LEU LEU A . n A 1 4 THR 4 4 4 THR THR A . n A 1 5 GLY 5 5 5 GLY GLY A . n A 1 6 VAL 6 6 6 VAL VAL A . n A 1 7 PRO 7 7 7 PRO PRO A . n A 1 8 TYR 8 8 8 TYR TYR A . n A 1 9 TYR 9 9 9 TYR TYR A . n A 1 10 ILE 10 10 10 ILE ILE A . n A 1 11 LEU 11 11 11 LEU LEU A . n A 1 12 PRO 12 12 12 PRO PRO A . n A 1 13 SER 13 13 13 SER SER A . n A 1 14 THR 14 14 14 THR THR A . n A 1 15 SER 15 15 15 SER SER A . n A 1 16 ARG 16 16 16 ARG ARG A . n A 1 17 ALA 17 17 17 ALA ALA A . n A 1 18 GLY 18 18 18 GLY GLY A . n A 1 19 PHE 19 19 19 PHE PHE A . n A 1 20 SER 20 20 20 SER SER A . n A 1 21 PRO 21 21 21 PRO PRO A . n A 1 22 ASP 22 22 22 ASP ASP A . n A 1 23 ASN 23 23 23 ASN ASN A . n A 1 24 LEU 24 24 24 LEU LEU A . n A 1 25 ARG 25 25 25 ARG ARG A . n A 1 26 LYS 26 26 26 LYS LYS A . n A 1 27 ASN 27 27 27 ASN ASN A . n A 1 28 THR 28 28 28 THR THR A . n A 1 29 SER 29 29 29 SER SER A . n A 1 30 GLN 30 30 30 GLN GLN A . n A 1 31 PRO 31 31 31 PRO PRO A . n A 1 32 SER 32 32 32 SER SER A . n A 1 33 CYS 33 33 33 CYS CYS A . n A 1 34 PRO 34 34 34 PRO PRO A . n A 1 35 LEU 35 35 35 LEU LEU A . n A 1 36 ASP 36 36 36 ASP ASP A . n A 1 37 LEU 37 37 37 LEU LEU A . n A 1 38 ILE 38 38 38 ILE ILE A . n A 1 39 THR 39 39 39 THR THR A . n A 1 40 GLN 40 40 40 GLN GLN A . n A 1 41 LEU 41 41 41 LEU LEU A . n A 1 42 ARG 42 42 42 ARG ARG A . n A 1 43 PHE 43 43 43 PHE PHE A . n A 1 44 PRO 44 44 44 PRO PRO A . n A 1 45 PRO 45 45 45 PRO PRO A . n A 1 46 ARG 46 46 46 ARG ARG A . n A 1 47 ILE 47 47 47 ILE ILE A . n A 1 48 GLY 48 48 48 GLY GLY A . n A 1 49 VAL 49 49 49 VAL VAL A . n A 1 50 PRO 50 50 50 PRO PRO A . n A 1 51 VAL 51 51 51 VAL VAL A . n A 1 52 ILE 52 52 52 ILE ILE A . n A 1 53 PHE 53 53 53 PHE PHE A . n A 1 54 THR 54 54 54 THR THR A . n A 1 55 PRO 55 55 55 PRO PRO A . n A 1 56 GLN 56 56 56 GLN GLN A . n A 1 57 ASN 57 57 57 ASN ASN A . n A 1 58 SER 58 58 58 SER SER A . n A 1 59 SER 59 59 59 SER SER A . n A 1 60 LEU 60 60 60 LEU LEU A . n A 1 61 LYS 61 61 61 LYS LYS A . n A 1 62 VAL 62 62 62 VAL VAL A . n A 1 63 VAL 63 63 63 VAL VAL A . n A 1 64 PRO 64 64 64 PRO PRO A . n A 1 65 LEU 65 65 65 LEU LEU A . n A 1 66 SER 66 66 66 SER SER A . n A 1 67 HIS 67 67 67 HIS HIS A . n A 1 68 ASN 68 68 68 ASN ASN A . n A 1 69 LEU 69 69 69 LEU LEU A . n A 1 70 ASN 70 70 70 ASN ASN A . n A 1 71 ILE 71 71 71 ILE ILE A . n A 1 72 HIS 72 72 72 HIS HIS A . n A 1 73 THR 73 73 73 THR THR A . n A 1 74 CSX 74 74 74 CSX CSX A . n A 1 75 SER 75 75 75 SER SER A . n A 1 76 ASP 76 76 76 ASP ASP A . n A 1 77 LEU 77 77 77 LEU LEU A . n A 1 78 TRP 78 78 78 TRP TRP A . n A 1 79 PHE 79 79 79 PHE PHE A . n A 1 80 CYS 80 80 80 CYS CYS A . n A 1 81 PRO 81 81 81 PRO PRO A . n A 1 82 GLU 82 82 82 GLU GLU A . n A 1 83 SER 83 83 83 SER SER A . n A 1 84 LYS 84 84 84 LYS LYS A . n A 1 85 ILE 85 85 85 ILE ILE A . n A 1 86 TRP 86 86 86 TRP TRP A . n A 1 87 THR 87 87 87 THR THR A . n A 1 88 VAL 88 88 88 VAL VAL A . n A 1 89 LYS 89 89 89 LYS LYS A . n A 1 90 SER 90 90 90 SER SER A . n A 1 91 SER 91 91 91 SER SER A . n A 1 92 SER 92 92 92 SER SER A . n A 1 93 ILE 93 93 93 ILE ILE A . n A 1 94 HIS 94 94 94 HIS HIS A . n A 1 95 ARG 95 95 95 ARG ARG A . n A 1 96 GLY 96 96 96 GLY GLY A . n A 1 97 LEU 97 97 97 LEU LEU A . n A 1 98 VAL 98 98 98 VAL VAL A . n A 1 99 VAL 99 99 99 VAL VAL A . n A 1 100 THR 100 100 100 THR THR A . n A 1 101 THR 101 101 101 THR THR A . n A 1 102 GLY 102 102 102 GLY GLY A . n A 1 103 GLY 103 103 103 GLY GLY A . n A 1 104 THR 104 104 104 THR THR A . n A 1 105 PHE 105 105 105 PHE PHE A . n A 1 106 ARG 106 106 106 ARG ARG A . n A 1 107 SER 107 107 107 SER SER A . n A 1 108 LEU 108 108 108 LEU LEU A . n A 1 109 GLY 109 109 109 GLY GLY A . n A 1 110 SER 110 110 110 SER SER A . n A 1 111 TRP 111 111 111 TRP TRP A . n A 1 112 PHE 112 112 112 PHE PHE A . n A 1 113 ARG 113 113 113 ARG ARG A . n A 1 114 ILE 114 114 114 ILE ILE A . n A 1 115 GLU 115 115 115 GLU GLU A . n A 1 116 ARG 116 116 116 ARG ARG A . n A 1 117 HIS 117 117 117 HIS HIS A . n A 1 118 GLY 118 118 118 GLY GLY A . n A 1 119 ASP 119 119 119 ASP ASP A . n A 1 120 SER 120 120 120 SER SER A . n A 1 121 TYR 121 121 121 TYR TYR A . n A 1 122 LYS 122 122 122 LYS LYS A . n A 1 123 LEU 123 123 123 LEU LEU A . n A 1 124 VAL 124 124 124 VAL VAL A . n A 1 125 HIS 125 125 125 HIS HIS A . n A 1 126 CYS 126 126 126 CYS CYS A . n A 1 127 PRO 127 127 127 PRO PRO A . n A 1 128 ARG 128 128 128 ARG ARG A . n A 1 129 GLY 129 129 129 GLY GLY A . n A 1 130 SER 130 130 130 SER SER A . n A 1 131 THR 131 131 131 THR THR A . n A 1 132 PRO 132 132 132 PRO PRO A . n A 1 133 CYS 133 133 133 CYS CYS A . n A 1 134 ARG 134 134 134 ARG ARG A . n A 1 135 ASP 135 135 135 ASP ASP A . n A 1 136 VAL 136 136 136 VAL VAL A . n A 1 137 GLY 137 137 137 GLY GLY A . n A 1 138 ILE 138 138 138 ILE ILE A . n A 1 139 GLU 139 139 139 GLU GLU A . n A 1 140 THR 140 140 140 THR THR A . n A 1 141 VAL 141 141 141 VAL VAL A . n A 1 142 GLY 142 142 142 GLY GLY A . n A 1 143 GLY 143 143 143 GLY GLY A . n A 1 144 GLY 144 144 144 GLY GLY A . n A 1 145 GLY 145 145 145 GLY GLY A . n A 1 146 ARG 146 146 146 ARG ARG A . n A 1 147 ARG 147 147 147 ARG ARG A . n A 1 148 TYR 148 148 148 TYR TYR A . n A 1 149 LEU 149 149 149 LEU LEU A . n A 1 150 ALA 150 150 150 ALA ALA A . n A 1 151 PRO 151 151 151 PRO PRO A . n A 1 152 ARG 152 152 152 ARG ARG A . n A 1 153 ASP 153 153 153 ASP ASP A . n A 1 154 ARG 154 154 154 ARG ARG A . n A 1 155 PRO 155 155 155 PRO PRO A . n A 1 156 LEU 156 156 156 LEU LEU A . n A 1 157 ALA 157 157 157 ALA ALA A . n A 1 158 VAL 158 158 158 VAL VAL A . n A 1 159 ARG 159 159 159 ARG ARG A . n A 1 160 PHE 160 160 160 PHE PHE A . n A 1 161 THR 161 161 161 THR THR A . n A 1 162 ARG 162 162 162 ARG ARG A . n A 1 163 ALA 163 163 163 ALA ALA A . n A 1 164 SER 164 164 164 SER SER A . n A 1 165 GLY 165 165 ? ? ? A . n B 1 1 ALA 1 1 1 ALA ALA B . n B 1 2 ILE 2 2 2 ILE ILE B . n B 1 3 LEU 3 3 3 LEU LEU B . n B 1 4 THR 4 4 4 THR THR B . n B 1 5 GLY 5 5 5 GLY GLY B . n B 1 6 VAL 6 6 6 VAL VAL B . n B 1 7 PRO 7 7 7 PRO PRO B . n B 1 8 TYR 8 8 8 TYR TYR B . n B 1 9 TYR 9 9 9 TYR TYR B . n B 1 10 ILE 10 10 10 ILE ILE B . n B 1 11 LEU 11 11 11 LEU LEU B . n B 1 12 PRO 12 12 12 PRO PRO B . n B 1 13 SER 13 13 13 SER SER B . n B 1 14 THR 14 14 14 THR THR B . n B 1 15 SER 15 15 15 SER SER B . n B 1 16 ARG 16 16 16 ARG ARG B . n B 1 17 ALA 17 17 17 ALA ALA B . n B 1 18 GLY 18 18 18 GLY GLY B . n B 1 19 PHE 19 19 19 PHE PHE B . n B 1 20 SER 20 20 20 SER SER B . n B 1 21 PRO 21 21 21 PRO PRO B . n B 1 22 ASP 22 22 22 ASP ASP B . n B 1 23 ASN 23 23 23 ASN ASN B . n B 1 24 LEU 24 24 24 LEU LEU B . n B 1 25 ARG 25 25 25 ARG ARG B . n B 1 26 LYS 26 26 26 LYS LYS B . n B 1 27 ASN 27 27 27 ASN ASN B . n B 1 28 THR 28 28 28 THR THR B . n B 1 29 SER 29 29 29 SER SER B . n B 1 30 GLN 30 30 30 GLN GLN B . n B 1 31 PRO 31 31 31 PRO PRO B . n B 1 32 SER 32 32 32 SER SER B . n B 1 33 CYS 33 33 33 CYS CYS B . n B 1 34 PRO 34 34 34 PRO PRO B . n B 1 35 LEU 35 35 35 LEU LEU B . n B 1 36 ASP 36 36 36 ASP ASP B . n B 1 37 LEU 37 37 37 LEU LEU B . n B 1 38 ILE 38 38 38 ILE ILE B . n B 1 39 THR 39 39 39 THR THR B . n B 1 40 GLN 40 40 40 GLN GLN B . n B 1 41 LEU 41 41 41 LEU LEU B . n B 1 42 ARG 42 42 42 ARG ARG B . n B 1 43 PHE 43 43 43 PHE PHE B . n B 1 44 PRO 44 44 44 PRO PRO B . n B 1 45 PRO 45 45 45 PRO PRO B . n B 1 46 ARG 46 46 46 ARG ARG B . n B 1 47 ILE 47 47 47 ILE ILE B . n B 1 48 GLY 48 48 48 GLY GLY B . n B 1 49 VAL 49 49 49 VAL VAL B . n B 1 50 PRO 50 50 50 PRO PRO B . n B 1 51 VAL 51 51 51 VAL VAL B . n B 1 52 ILE 52 52 52 ILE ILE B . n B 1 53 PHE 53 53 53 PHE PHE B . n B 1 54 THR 54 54 54 THR THR B . n B 1 55 PRO 55 55 55 PRO PRO B . n B 1 56 GLN 56 56 56 GLN GLN B . n B 1 57 ASN 57 57 57 ASN ASN B . n B 1 58 SER 58 58 58 SER SER B . n B 1 59 SER 59 59 59 SER SER B . n B 1 60 LEU 60 60 60 LEU LEU B . n B 1 61 LYS 61 61 61 LYS LYS B . n B 1 62 VAL 62 62 62 VAL VAL B . n B 1 63 VAL 63 63 63 VAL VAL B . n B 1 64 PRO 64 64 64 PRO PRO B . n B 1 65 LEU 65 65 65 LEU LEU B . n B 1 66 SER 66 66 66 SER SER B . n B 1 67 HIS 67 67 67 HIS HIS B . n B 1 68 ASN 68 68 68 ASN ASN B . n B 1 69 LEU 69 69 69 LEU LEU B . n B 1 70 ASN 70 70 70 ASN ASN B . n B 1 71 ILE 71 71 71 ILE ILE B . n B 1 72 HIS 72 72 72 HIS HIS B . n B 1 73 THR 73 73 73 THR THR B . n B 1 74 CSX 74 74 74 CSX CSX B . n B 1 75 SER 75 75 75 SER SER B . n B 1 76 ASP 76 76 76 ASP ASP B . n B 1 77 LEU 77 77 77 LEU LEU B . n B 1 78 TRP 78 78 78 TRP TRP B . n B 1 79 PHE 79 79 79 PHE PHE B . n B 1 80 CYS 80 80 80 CYS CYS B . n B 1 81 PRO 81 81 81 PRO PRO B . n B 1 82 GLU 82 82 82 GLU GLU B . n B 1 83 SER 83 83 83 SER SER B . n B 1 84 LYS 84 84 84 LYS LYS B . n B 1 85 ILE 85 85 85 ILE ILE B . n B 1 86 TRP 86 86 86 TRP TRP B . n B 1 87 THR 87 87 87 THR THR B . n B 1 88 VAL 88 88 88 VAL VAL B . n B 1 89 LYS 89 89 89 LYS LYS B . n B 1 90 SER 90 90 90 SER SER B . n B 1 91 SER 91 91 91 SER SER B . n B 1 92 SER 92 92 92 SER SER B . n B 1 93 ILE 93 93 93 ILE ILE B . n B 1 94 HIS 94 94 94 HIS HIS B . n B 1 95 ARG 95 95 95 ARG ARG B . n B 1 96 GLY 96 96 96 GLY GLY B . n B 1 97 LEU 97 97 97 LEU LEU B . n B 1 98 VAL 98 98 98 VAL VAL B . n B 1 99 VAL 99 99 99 VAL VAL B . n B 1 100 THR 100 100 100 THR THR B . n B 1 101 THR 101 101 101 THR THR B . n B 1 102 GLY 102 102 102 GLY GLY B . n B 1 103 GLY 103 103 103 GLY GLY B . n B 1 104 THR 104 104 104 THR THR B . n B 1 105 PHE 105 105 105 PHE PHE B . n B 1 106 ARG 106 106 106 ARG ARG B . n B 1 107 SER 107 107 107 SER SER B . n B 1 108 LEU 108 108 108 LEU LEU B . n B 1 109 GLY 109 109 109 GLY GLY B . n B 1 110 SER 110 110 110 SER SER B . n B 1 111 TRP 111 111 111 TRP TRP B . n B 1 112 PHE 112 112 112 PHE PHE B . n B 1 113 ARG 113 113 113 ARG ARG B . n B 1 114 ILE 114 114 114 ILE ILE B . n B 1 115 GLU 115 115 115 GLU GLU B . n B 1 116 ARG 116 116 116 ARG ARG B . n B 1 117 HIS 117 117 117 HIS HIS B . n B 1 118 GLY 118 118 118 GLY GLY B . n B 1 119 ASP 119 119 119 ASP ASP B . n B 1 120 SER 120 120 120 SER SER B . n B 1 121 TYR 121 121 121 TYR TYR B . n B 1 122 LYS 122 122 122 LYS LYS B . n B 1 123 LEU 123 123 123 LEU LEU B . n B 1 124 VAL 124 124 124 VAL VAL B . n B 1 125 HIS 125 125 125 HIS HIS B . n B 1 126 CYS 126 126 126 CYS CYS B . n B 1 127 PRO 127 127 127 PRO PRO B . n B 1 128 ARG 128 128 128 ARG ARG B . n B 1 129 GLY 129 129 129 GLY GLY B . n B 1 130 SER 130 130 130 SER SER B . n B 1 131 THR 131 131 131 THR THR B . n B 1 132 PRO 132 132 132 PRO PRO B . n B 1 133 CYS 133 133 133 CYS CYS B . n B 1 134 ARG 134 134 134 ARG ARG B . n B 1 135 ASP 135 135 135 ASP ASP B . n B 1 136 VAL 136 136 136 VAL VAL B . n B 1 137 GLY 137 137 137 GLY GLY B . n B 1 138 ILE 138 138 138 ILE ILE B . n B 1 139 GLU 139 139 139 GLU GLU B . n B 1 140 THR 140 140 140 THR THR B . n B 1 141 VAL 141 141 141 VAL VAL B . n B 1 142 GLY 142 142 142 GLY GLY B . n B 1 143 GLY 143 143 143 GLY GLY B . n B 1 144 GLY 144 144 144 GLY GLY B . n B 1 145 GLY 145 145 145 GLY GLY B . n B 1 146 ARG 146 146 146 ARG ARG B . n B 1 147 ARG 147 147 147 ARG ARG B . n B 1 148 TYR 148 148 148 TYR TYR B . n B 1 149 LEU 149 149 149 LEU LEU B . n B 1 150 ALA 150 150 150 ALA ALA B . n B 1 151 PRO 151 151 151 PRO PRO B . n B 1 152 ARG 152 152 152 ARG ARG B . n B 1 153 ASP 153 153 153 ASP ASP B . n B 1 154 ARG 154 154 154 ARG ARG B . n B 1 155 PRO 155 155 155 PRO PRO B . n B 1 156 LEU 156 156 156 LEU LEU B . n B 1 157 ALA 157 157 157 ALA ALA B . n B 1 158 VAL 158 158 158 VAL VAL B . n B 1 159 ARG 159 159 159 ARG ARG B . n B 1 160 PHE 160 160 160 PHE PHE B . n B 1 161 THR 161 161 161 THR THR B . n B 1 162 ARG 162 162 162 ARG ARG B . n B 1 163 ALA 163 163 163 ALA ALA B . n B 1 164 SER 164 164 164 SER SER B . n B 1 165 GLY 165 165 ? ? ? B . n # loop_ _pdbx_struct_mod_residue.id _pdbx_struct_mod_residue.label_asym_id _pdbx_struct_mod_residue.label_comp_id _pdbx_struct_mod_residue.label_seq_id _pdbx_struct_mod_residue.auth_asym_id _pdbx_struct_mod_residue.auth_comp_id _pdbx_struct_mod_residue.auth_seq_id _pdbx_struct_mod_residue.PDB_ins_code _pdbx_struct_mod_residue.parent_comp_id _pdbx_struct_mod_residue.details 1 A ASN 27 A ASN 27 ? ASN 'GLYCOSYLATION SITE' 2 B ASN 57 B ASN 57 ? ASN 'GLYCOSYLATION SITE' 3 A ASN 57 A ASN 57 ? ASN 'GLYCOSYLATION SITE' 4 B ASN 27 B ASN 27 ? ASN 'GLYCOSYLATION SITE' 5 A CSX 74 A CSX 74 ? CYS 'S-OXY CYSTEINE' 6 B CSX 74 B CSX 74 ? CYS 'S-OXY CYSTEINE' # 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 software_defined_assembly PISA tetrameric 4 2 author_and_software_defined_assembly PISA dimeric 2 3 author_and_software_defined_assembly PISA dimeric 2 # loop_ _pdbx_struct_assembly_gen.assembly_id _pdbx_struct_assembly_gen.oper_expression _pdbx_struct_assembly_gen.asym_id_list 1 1,2 A,C,D,E,F,G,H,I,J,K,L,M,W 1 3,4 B,N,O,P,Q,R,S,T,U,V,X 2 1,5 A,C,D,E,F,G,H,I,J,K,L,M,W 3 1,6 B,N,O,P,Q,R,S,T,U,V,X # loop_ _pdbx_struct_assembly_prop.biol_id _pdbx_struct_assembly_prop.type _pdbx_struct_assembly_prop.value _pdbx_struct_assembly_prop.details 1 'ABSA (A^2)' 11310 ? 1 MORE -233 ? 1 'SSA (A^2)' 31220 ? 2 'ABSA (A^2)' 5420 ? 2 MORE -120 ? 2 'SSA (A^2)' 16860 ? 3 'ABSA (A^2)' 4460 ? 3 MORE -121 ? 3 'SSA (A^2)' 16160 ? # loop_ _pdbx_struct_oper_list.id _pdbx_struct_oper_list.type _pdbx_struct_oper_list.name _pdbx_struct_oper_list.symmetry_operation _pdbx_struct_oper_list.matrix[1][1] _pdbx_struct_oper_list.matrix[1][2] _pdbx_struct_oper_list.matrix[1][3] _pdbx_struct_oper_list.vector[1] _pdbx_struct_oper_list.matrix[2][1] _pdbx_struct_oper_list.matrix[2][2] _pdbx_struct_oper_list.matrix[2][3] _pdbx_struct_oper_list.vector[2] _pdbx_struct_oper_list.matrix[3][1] _pdbx_struct_oper_list.matrix[3][2] _pdbx_struct_oper_list.matrix[3][3] _pdbx_struct_oper_list.vector[3] 1 'identity operation' 1_555 x,y,z 1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 2 'crystal symmetry operation' 2_455 -x-1,y,-z -1.0000000000 0.0000000000 0.0000000000 -95.5850000000 0.0000000000 1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -1.0000000000 0.0000000000 3 'crystal symmetry operation' 1_556 x,y,z+1 1.0000000000 0.0000000000 0.0000000000 -31.2428450498 0.0000000000 1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 53.9401228975 4 'crystal symmetry operation' 2_454 -x-1,y,-z-1 -1.0000000000 0.0000000000 0.0000000000 -64.3421549502 0.0000000000 1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -1.0000000000 -53.9401228975 5 'crystal symmetry operation' 2_555 -x,y,-z -1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -1.0000000000 0.0000000000 6 'crystal symmetry operation' 2_453 -x-1,y,-z-2 -1.0000000000 0.0000000000 0.0000000000 -33.0993099005 0.0000000000 1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -1.0000000000 -107.8802457950 # _pdbx_audit_revision_history.ordinal 1 _pdbx_audit_revision_history.data_content_type 'Structure model' _pdbx_audit_revision_history.major_revision 1 _pdbx_audit_revision_history.minor_revision 0 _pdbx_audit_revision_history.revision_date 2013-07-24 # _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_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 -16.8656 27.4025 -8.8960 0.0634 0.0082 0.0831 -0.0084 -0.0077 -0.0141 1.7001 0.4851 2.1590 0.0689 -0.7193 -0.1567 -0.0037 0.0808 0.0081 0.0820 -0.0093 -0.0225 0.0082 -0.0608 0.0131 'X-RAY DIFFRACTION' 2 ? refined -10.4009 30.6067 -38.1491 0.0459 0.0905 0.0375 -0.0189 -0.0091 0.0161 1.3873 0.5636 1.8460 0.0529 -0.8448 -0.0551 -0.0090 0.2096 0.0283 0.0301 0.0640 -0.0756 0.0747 -0.2727 -0.0550 # loop_ _pdbx_refine_tls_group.pdbx_refine_id _pdbx_refine_tls_group.id _pdbx_refine_tls_group.refine_tls_id _pdbx_refine_tls_group.beg_auth_asym_id _pdbx_refine_tls_group.beg_auth_seq_id _pdbx_refine_tls_group.end_auth_asym_id _pdbx_refine_tls_group.end_auth_seq_id _pdbx_refine_tls_group.selection_details _pdbx_refine_tls_group.beg_label_asym_id _pdbx_refine_tls_group.beg_label_seq_id _pdbx_refine_tls_group.end_label_asym_id _pdbx_refine_tls_group.end_label_seq_id _pdbx_refine_tls_group.selection 'X-RAY DIFFRACTION' 1 1 A 1 A 164 ? . . . . ? 'X-RAY DIFFRACTION' 2 1 A 201 A 211 ? . . . . ? 'X-RAY DIFFRACTION' 3 1 A 301 A 460 ? . . . . ? 'X-RAY DIFFRACTION' 4 1 B 301 B 301 ? . . . . ? 'X-RAY DIFFRACTION' 5 2 B 1 B 164 ? . . . . ? 'X-RAY DIFFRACTION' 6 2 B 201 B 209 ? . . . . ? 'X-RAY DIFFRACTION' 7 2 B 302 B 437 ? . . . . ? # loop_ _software.name _software.classification _software.version _software.citation_id _software.pdbx_ordinal HKL-2000 'data collection' . ? 1 PHASES phasing . ? 2 REFMAC refinement 5.5.0109 ? 3 HKL-3000 'data reduction' . ? 4 SCALEPACK 'data scaling' . ? 5 # loop_ _pdbx_validate_close_contact.id _pdbx_validate_close_contact.PDB_model_num _pdbx_validate_close_contact.auth_atom_id_1 _pdbx_validate_close_contact.auth_asym_id_1 _pdbx_validate_close_contact.auth_comp_id_1 _pdbx_validate_close_contact.auth_seq_id_1 _pdbx_validate_close_contact.PDB_ins_code_1 _pdbx_validate_close_contact.label_alt_id_1 _pdbx_validate_close_contact.auth_atom_id_2 _pdbx_validate_close_contact.auth_asym_id_2 _pdbx_validate_close_contact.auth_comp_id_2 _pdbx_validate_close_contact.auth_seq_id_2 _pdbx_validate_close_contact.PDB_ins_code_2 _pdbx_validate_close_contact.label_alt_id_2 _pdbx_validate_close_contact.dist 1 1 OG1 A THR 39 ? B NH1 A ARG 146 ? ? 1.91 2 1 OE2 A GLU 139 ? ? O A HOH 402 ? ? 1.95 3 1 NH2 A ARG 146 ? ? O3 A SO4 204 ? ? 2.02 4 1 O A HOH 398 ? ? O A HOH 401 ? ? 2.04 # 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 LEU A 35 ? ? -150.20 77.59 2 1 SER A 120 ? ? -131.38 -136.34 3 1 ARG A 128 ? ? 57.40 14.54 4 1 THR A 140 ? ? -146.74 -22.55 5 1 LEU B 35 ? ? -152.92 74.93 6 1 THR B 101 ? ? -77.37 -168.97 7 1 SER B 120 ? ? -136.69 -136.68 8 1 ARG B 128 ? ? 59.85 10.35 # 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 GLY 165 ? A GLY 165 2 1 Y 1 B GLY 165 ? B GLY 165 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 2 'SULFATE ION' SO4 3 N-ACETYL-D-GLUCOSAMINE NAG 4 ALPHA-L-FUCOSE FUC 5 GLYCEROL GOL 6 water HOH # loop_ _pdbx_nonpoly_scheme.asym_id _pdbx_nonpoly_scheme.entity_id _pdbx_nonpoly_scheme.mon_id _pdbx_nonpoly_scheme.ndb_seq_num _pdbx_nonpoly_scheme.pdb_seq_num _pdbx_nonpoly_scheme.auth_seq_num _pdbx_nonpoly_scheme.pdb_mon_id _pdbx_nonpoly_scheme.auth_mon_id _pdbx_nonpoly_scheme.pdb_strand_id _pdbx_nonpoly_scheme.pdb_ins_code C 2 SO4 1 201 201 SO4 SO4 A . D 2 SO4 1 202 202 SO4 SO4 A . E 2 SO4 1 203 203 SO4 SO4 A . F 2 SO4 1 204 204 SO4 SO4 A . G 2 SO4 1 205 205 SO4 SO4 A . H 3 NAG 1 206 206 NAG NAG A . I 3 NAG 2 207 207 NAG NAG A . J 4 FUC 3 208 208 FUC FUC A . K 5 GOL 1 209 209 GOL GOL A . L 5 GOL 1 210 210 GOL GOL A . M 3 NAG 1 211 211 NAG NAG A . N 2 SO4 1 201 201 SO4 SO4 B . O 2 SO4 1 202 202 SO4 SO4 B . P 2 SO4 1 203 203 SO4 SO4 B . Q 2 SO4 1 204 204 SO4 SO4 B . R 2 SO4 1 205 205 SO4 SO4 B . S 5 GOL 1 206 206 GOL GOL B . T 5 GOL 1 207 207 GOL GOL B . U 3 NAG 1 208 208 NAG NAG B . V 3 NAG 1 209 209 NAG NAG B . W 6 HOH 1 301 301 HOH HOH A . W 6 HOH 2 302 302 HOH HOH A . W 6 HOH 3 303 303 HOH HOH A . W 6 HOH 4 304 304 HOH HOH A . W 6 HOH 5 305 305 HOH HOH A . W 6 HOH 6 306 306 HOH HOH A . W 6 HOH 7 307 307 HOH HOH A . W 6 HOH 8 308 308 HOH HOH A . W 6 HOH 9 309 309 HOH HOH A . W 6 HOH 10 310 310 HOH HOH A . W 6 HOH 11 311 311 HOH HOH A . W 6 HOH 12 312 312 HOH HOH A . W 6 HOH 13 313 313 HOH HOH A . W 6 HOH 14 314 314 HOH HOH A . W 6 HOH 15 315 315 HOH HOH A . W 6 HOH 16 316 316 HOH HOH A . W 6 HOH 17 317 317 HOH HOH A . W 6 HOH 18 318 318 HOH HOH A . W 6 HOH 19 319 319 HOH HOH A . W 6 HOH 20 320 320 HOH HOH A . W 6 HOH 21 321 321 HOH HOH A . W 6 HOH 22 322 322 HOH HOH A . W 6 HOH 23 323 323 HOH HOH A . W 6 HOH 24 324 324 HOH HOH A . W 6 HOH 25 325 325 HOH HOH A . W 6 HOH 26 326 326 HOH HOH A . W 6 HOH 27 327 327 HOH HOH A . W 6 HOH 28 328 328 HOH HOH A . W 6 HOH 29 329 329 HOH HOH A . W 6 HOH 30 330 330 HOH HOH A . W 6 HOH 31 331 331 HOH HOH A . W 6 HOH 32 332 332 HOH HOH A . W 6 HOH 33 333 333 HOH HOH A . W 6 HOH 34 334 334 HOH HOH A . W 6 HOH 35 335 335 HOH HOH A . W 6 HOH 36 336 336 HOH HOH A . W 6 HOH 37 337 337 HOH HOH A . W 6 HOH 38 338 338 HOH HOH A . W 6 HOH 39 339 339 HOH HOH A . W 6 HOH 40 340 340 HOH HOH A . W 6 HOH 41 341 341 HOH HOH A . W 6 HOH 42 342 342 HOH HOH A . W 6 HOH 43 343 343 HOH HOH A . W 6 HOH 44 344 344 HOH HOH A . W 6 HOH 45 345 345 HOH HOH A . W 6 HOH 46 346 346 HOH HOH A . W 6 HOH 47 347 347 HOH HOH A . W 6 HOH 48 348 348 HOH HOH A . W 6 HOH 49 349 349 HOH HOH A . W 6 HOH 50 350 350 HOH HOH A . W 6 HOH 51 351 351 HOH HOH A . W 6 HOH 52 352 352 HOH HOH A . W 6 HOH 53 353 353 HOH HOH A . W 6 HOH 54 354 354 HOH HOH A . W 6 HOH 55 355 355 HOH HOH A . W 6 HOH 56 356 356 HOH HOH A . W 6 HOH 57 357 357 HOH HOH A . W 6 HOH 58 358 358 HOH HOH A . W 6 HOH 59 359 359 HOH HOH A . W 6 HOH 60 360 360 HOH HOH A . W 6 HOH 61 361 361 HOH HOH A . W 6 HOH 62 362 362 HOH HOH A . W 6 HOH 63 363 363 HOH HOH A . W 6 HOH 64 364 364 HOH HOH A . W 6 HOH 65 365 365 HOH HOH A . W 6 HOH 66 366 366 HOH HOH A . W 6 HOH 67 367 367 HOH HOH A . W 6 HOH 68 368 368 HOH HOH A . W 6 HOH 69 369 369 HOH HOH A . W 6 HOH 70 370 370 HOH HOH A . W 6 HOH 71 371 371 HOH HOH A . W 6 HOH 72 372 372 HOH HOH A . W 6 HOH 73 373 373 HOH HOH A . W 6 HOH 74 374 374 HOH HOH A . W 6 HOH 75 375 375 HOH HOH A . W 6 HOH 76 376 376 HOH HOH A . W 6 HOH 77 377 377 HOH HOH A . W 6 HOH 78 378 378 HOH HOH A . W 6 HOH 79 379 379 HOH HOH A . W 6 HOH 80 380 380 HOH HOH A . W 6 HOH 81 381 381 HOH HOH A . W 6 HOH 82 382 382 HOH HOH A . W 6 HOH 83 383 383 HOH HOH A . W 6 HOH 84 384 384 HOH HOH A . W 6 HOH 85 385 385 HOH HOH A . W 6 HOH 86 386 386 HOH HOH A . W 6 HOH 87 387 387 HOH HOH A . W 6 HOH 88 388 388 HOH HOH A . W 6 HOH 89 389 389 HOH HOH A . W 6 HOH 90 390 390 HOH HOH A . W 6 HOH 91 391 391 HOH HOH A . W 6 HOH 92 392 392 HOH HOH A . W 6 HOH 93 393 393 HOH HOH A . W 6 HOH 94 394 394 HOH HOH A . W 6 HOH 95 395 395 HOH HOH A . W 6 HOH 96 396 396 HOH HOH A . W 6 HOH 97 397 397 HOH HOH A . W 6 HOH 98 398 398 HOH HOH A . W 6 HOH 99 399 399 HOH HOH A . W 6 HOH 100 400 400 HOH HOH A . W 6 HOH 101 401 401 HOH HOH A . W 6 HOH 102 402 402 HOH HOH A . W 6 HOH 103 403 403 HOH HOH A . W 6 HOH 104 404 405 HOH HOH A . W 6 HOH 105 405 406 HOH HOH A . W 6 HOH 106 406 407 HOH HOH A . W 6 HOH 107 407 408 HOH HOH A . W 6 HOH 108 408 409 HOH HOH A . W 6 HOH 109 409 410 HOH HOH A . W 6 HOH 110 410 411 HOH HOH A . W 6 HOH 111 411 412 HOH HOH A . W 6 HOH 112 412 413 HOH HOH A . W 6 HOH 113 413 414 HOH HOH A . W 6 HOH 114 414 415 HOH HOH A . W 6 HOH 115 415 416 HOH HOH A . W 6 HOH 116 416 417 HOH HOH A . W 6 HOH 117 417 418 HOH HOH A . W 6 HOH 118 418 419 HOH HOH A . W 6 HOH 119 419 420 HOH HOH A . W 6 HOH 120 420 421 HOH HOH A . W 6 HOH 121 421 422 HOH HOH A . W 6 HOH 122 422 423 HOH HOH A . W 6 HOH 123 423 424 HOH HOH A . W 6 HOH 124 424 425 HOH HOH A . W 6 HOH 125 425 426 HOH HOH A . W 6 HOH 126 426 427 HOH HOH A . W 6 HOH 127 427 428 HOH HOH A . W 6 HOH 128 428 429 HOH HOH A . W 6 HOH 129 429 430 HOH HOH A . W 6 HOH 130 430 431 HOH HOH A . W 6 HOH 131 431 432 HOH HOH A . W 6 HOH 132 432 433 HOH HOH A . W 6 HOH 133 433 434 HOH HOH A . W 6 HOH 134 434 435 HOH HOH A . W 6 HOH 135 435 436 HOH HOH A . W 6 HOH 136 436 437 HOH HOH A . W 6 HOH 137 437 438 HOH HOH A . W 6 HOH 138 438 439 HOH HOH A . W 6 HOH 139 439 440 HOH HOH A . W 6 HOH 140 440 441 HOH HOH A . W 6 HOH 141 441 442 HOH HOH A . W 6 HOH 142 442 443 HOH HOH A . W 6 HOH 143 443 444 HOH HOH A . W 6 HOH 144 444 445 HOH HOH A . W 6 HOH 145 445 446 HOH HOH A . W 6 HOH 146 446 447 HOH HOH A . W 6 HOH 147 447 448 HOH HOH A . W 6 HOH 148 448 449 HOH HOH A . W 6 HOH 149 449 450 HOH HOH A . W 6 HOH 150 450 451 HOH HOH A . W 6 HOH 151 451 452 HOH HOH A . W 6 HOH 152 452 453 HOH HOH A . W 6 HOH 153 453 454 HOH HOH A . W 6 HOH 154 454 455 HOH HOH A . W 6 HOH 155 455 456 HOH HOH A . W 6 HOH 156 456 457 HOH HOH A . W 6 HOH 157 457 458 HOH HOH A . W 6 HOH 158 458 459 HOH HOH A . W 6 HOH 159 459 460 HOH HOH A . W 6 HOH 160 460 461 HOH HOH A . X 6 HOH 1 301 404 HOH HOH B . X 6 HOH 2 302 301 HOH HOH B . X 6 HOH 3 303 302 HOH HOH B . X 6 HOH 4 304 303 HOH HOH B . X 6 HOH 5 305 304 HOH HOH B . X 6 HOH 6 306 305 HOH HOH B . X 6 HOH 7 307 306 HOH HOH B . X 6 HOH 8 308 307 HOH HOH B . X 6 HOH 9 309 308 HOH HOH B . X 6 HOH 10 310 309 HOH HOH B . X 6 HOH 11 311 310 HOH HOH B . X 6 HOH 12 312 311 HOH HOH B . X 6 HOH 13 313 312 HOH HOH B . X 6 HOH 14 314 313 HOH HOH B . X 6 HOH 15 315 314 HOH HOH B . X 6 HOH 16 316 315 HOH HOH B . X 6 HOH 17 317 316 HOH HOH B . X 6 HOH 18 318 317 HOH HOH B . X 6 HOH 19 319 318 HOH HOH B . X 6 HOH 20 320 319 HOH HOH B . X 6 HOH 21 321 320 HOH HOH B . X 6 HOH 22 322 321 HOH HOH B . X 6 HOH 23 323 322 HOH HOH B . X 6 HOH 24 324 323 HOH HOH B . X 6 HOH 25 325 324 HOH HOH B . X 6 HOH 26 326 325 HOH HOH B . X 6 HOH 27 327 326 HOH HOH B . X 6 HOH 28 328 327 HOH HOH B . X 6 HOH 29 329 328 HOH HOH B . X 6 HOH 30 330 329 HOH HOH B . X 6 HOH 31 331 330 HOH HOH B . X 6 HOH 32 332 331 HOH HOH B . X 6 HOH 33 333 332 HOH HOH B . X 6 HOH 34 334 333 HOH HOH B . X 6 HOH 35 335 334 HOH HOH B . X 6 HOH 36 336 335 HOH HOH B . X 6 HOH 37 337 336 HOH HOH B . X 6 HOH 38 338 337 HOH HOH B . X 6 HOH 39 339 338 HOH HOH B . X 6 HOH 40 340 339 HOH HOH B . X 6 HOH 41 341 340 HOH HOH B . X 6 HOH 42 342 341 HOH HOH B . X 6 HOH 43 343 342 HOH HOH B . X 6 HOH 44 344 343 HOH HOH B . X 6 HOH 45 345 344 HOH HOH B . X 6 HOH 46 346 345 HOH HOH B . X 6 HOH 47 347 346 HOH HOH B . X 6 HOH 48 348 347 HOH HOH B . X 6 HOH 49 349 348 HOH HOH B . X 6 HOH 50 350 349 HOH HOH B . X 6 HOH 51 351 350 HOH HOH B . X 6 HOH 52 352 351 HOH HOH B . X 6 HOH 53 353 352 HOH HOH B . X 6 HOH 54 354 353 HOH HOH B . X 6 HOH 55 355 354 HOH HOH B . X 6 HOH 56 356 355 HOH HOH B . X 6 HOH 57 357 356 HOH HOH B . X 6 HOH 58 358 357 HOH HOH B . X 6 HOH 59 359 358 HOH HOH B . X 6 HOH 60 360 359 HOH HOH B . X 6 HOH 61 361 360 HOH HOH B . X 6 HOH 62 362 361 HOH HOH B . X 6 HOH 63 363 362 HOH HOH B . X 6 HOH 64 364 363 HOH HOH B . X 6 HOH 65 365 364 HOH HOH B . X 6 HOH 66 366 365 HOH HOH B . X 6 HOH 67 367 366 HOH HOH B . X 6 HOH 68 368 367 HOH HOH B . X 6 HOH 69 369 368 HOH HOH B . X 6 HOH 70 370 369 HOH HOH B . X 6 HOH 71 371 370 HOH HOH B . X 6 HOH 72 372 371 HOH HOH B . X 6 HOH 73 373 372 HOH HOH B . X 6 HOH 74 374 373 HOH HOH B . X 6 HOH 75 375 374 HOH HOH B . X 6 HOH 76 376 375 HOH HOH B . X 6 HOH 77 377 376 HOH HOH B . X 6 HOH 78 378 377 HOH HOH B . X 6 HOH 79 379 378 HOH HOH B . X 6 HOH 80 380 379 HOH HOH B . X 6 HOH 81 381 380 HOH HOH B . X 6 HOH 82 382 381 HOH HOH B . X 6 HOH 83 383 382 HOH HOH B . X 6 HOH 84 384 383 HOH HOH B . X 6 HOH 85 385 384 HOH HOH B . X 6 HOH 86 386 385 HOH HOH B . X 6 HOH 87 387 386 HOH HOH B . X 6 HOH 88 388 387 HOH HOH B . X 6 HOH 89 389 388 HOH HOH B . X 6 HOH 90 390 389 HOH HOH B . X 6 HOH 91 391 390 HOH HOH B . X 6 HOH 92 392 391 HOH HOH B . X 6 HOH 93 393 392 HOH HOH B . X 6 HOH 94 394 393 HOH HOH B . X 6 HOH 95 395 394 HOH HOH B . X 6 HOH 96 396 395 HOH HOH B . X 6 HOH 97 397 396 HOH HOH B . X 6 HOH 98 398 397 HOH HOH B . X 6 HOH 99 399 398 HOH HOH B . X 6 HOH 100 400 399 HOH HOH B . X 6 HOH 101 401 400 HOH HOH B . X 6 HOH 102 402 401 HOH HOH B . X 6 HOH 103 403 402 HOH HOH B . X 6 HOH 104 404 403 HOH HOH B . X 6 HOH 105 405 404 HOH HOH B . X 6 HOH 106 406 405 HOH HOH B . X 6 HOH 107 407 406 HOH HOH B . X 6 HOH 108 408 407 HOH HOH B . X 6 HOH 109 409 408 HOH HOH B . X 6 HOH 110 410 409 HOH HOH B . X 6 HOH 111 411 410 HOH HOH B . X 6 HOH 112 412 411 HOH HOH B . X 6 HOH 113 413 412 HOH HOH B . X 6 HOH 114 414 413 HOH HOH B . X 6 HOH 115 415 414 HOH HOH B . X 6 HOH 116 416 415 HOH HOH B . X 6 HOH 117 417 416 HOH HOH B . X 6 HOH 118 418 417 HOH HOH B . X 6 HOH 119 419 418 HOH HOH B . X 6 HOH 120 420 419 HOH HOH B . X 6 HOH 121 421 420 HOH HOH B . X 6 HOH 122 422 421 HOH HOH B . X 6 HOH 123 423 422 HOH HOH B . X 6 HOH 124 424 423 HOH HOH B . X 6 HOH 125 425 424 HOH HOH B . X 6 HOH 126 426 425 HOH HOH B . X 6 HOH 127 427 426 HOH HOH B . X 6 HOH 128 428 427 HOH HOH B . X 6 HOH 129 429 428 HOH HOH B . X 6 HOH 130 430 429 HOH HOH B . X 6 HOH 131 431 430 HOH HOH B . X 6 HOH 132 432 431 HOH HOH B . X 6 HOH 133 433 432 HOH HOH B . X 6 HOH 134 434 433 HOH HOH B . X 6 HOH 135 435 434 HOH HOH B . X 6 HOH 136 436 435 HOH HOH B . X 6 HOH 137 437 436 HOH HOH B . #