diff --git "a/structures/2c4q.cif" "b/structures/2c4q.cif" new file mode 100644--- /dev/null +++ "b/structures/2c4q.cif" @@ -0,0 +1,7033 @@ +data_2C4Q +# +_entry.id 2C4Q +# +_audit_conform.dict_name mmcif_pdbx.dic +_audit_conform.dict_version 5.382 +_audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic +# +loop_ +_database_2.database_id +_database_2.database_code +_database_2.pdbx_database_accession +_database_2.pdbx_DOI +PDB 2C4Q pdb_00002c4q 10.2210/pdb2c4q/pdb +PDBE EBI-26084 ? ? +WWPDB D_1290026084 ? ? +# +_pdbx_database_PDB_obs_spr.id SPRSDE +_pdbx_database_PDB_obs_spr.date 2005-11-07 +_pdbx_database_PDB_obs_spr.pdb_id 2C4Q +_pdbx_database_PDB_obs_spr.replace_pdb_id 1E7X +_pdbx_database_PDB_obs_spr.details ? +# +loop_ +_pdbx_database_related.db_name +_pdbx_database_related.db_id +_pdbx_database_related.content_type +_pdbx_database_related.details +PDB 1AQ3 unspecified 'STRUCTURE OF A MS2 COAT PROTEIN MUTANT IN COMPLEX WITH ANRNA OPERATOR' +PDB 1AQ4 unspecified 'STRUCTURE OF A MS2 COAT PROTEIN MUTANT IN COMPLEX WITH ANRNA OPERATOR' +PDB 1BMS unspecified . +PDB 1DZS unspecified 'MS2-RNA HAIRPIN (4ONE -5) COMPLEX' +PDB 1GKV unspecified 'MS2-RNA HAIRPIN (C-7) COMPLEX' +PDB 1GKW unspecified 'MS2-RNA HAIRPIN (G-10) COMPLEX' +PDB 1H8J unspecified 'MS2-RNA HAIRPIN (G -5) COMPLEX' +PDB 1HDW unspecified 'MS2-RNA HAIRPIN (2THIO-U -5-6) COMPLEX' +PDB 1HE0 unspecified 'MS2-RNA HAIRPIN (2THIOURACIL-5) COMPLEX' +PDB 1HE6 unspecified 'MS2-RNA HAIRPIN (ADE -5) COMPLEX' +PDB 1KUO unspecified 'MS2-RNA HAIRPIN (C-10) COMPLEX' +PDB 1MSC unspecified . +PDB 1MST unspecified . +PDB 1MVA unspecified 'STRUCTURE OF A PROTEIN CAPSID OF THE T45A MUTANT OF PHAGEMS2' +PDB 1MVB unspecified 'STRUCTURE OF A PROTEIN CAPSID OF THE T59S MUTANT OF PHAGEMS2' +PDB 1U1Y unspecified +;CRYSTAL STRUCTURE OF A COMPLEX BETWEEN WT BACTERIOPHAGE MS2COAT PROTEIN AND AN F5 APTAMER RNA STEMLOOP WITH2AMINOPURINE SUBSTITUTED AT THE-10 POSITION +; +PDB 1ZDH unspecified 'STRUCTURE OF BACTERIOPHAGE COAT PROTEIN- OPERATOR COMPLEX' +PDB 1ZDI unspecified 'STRUCTURE OF MS2 PROTEIN CAPSID' +PDB 1ZDJ unspecified 'STRUCTURE OF BACTERIOPHAGE COAT PROTEIN-LOOP RNA COMPLEX' +PDB 1ZDK unspecified 'STRUCTURE OF BACTERIOPHAGE COAT PROTEIN-LOOP RNA COMPLEX' +PDB 2BNY unspecified 'MS2 (N87A MUTANT) - RNA HAIRPIN COMPLEX' +PDB 2BQ5 unspecified 'MS2 (N87AE89K MUTANT) - RNA HAIRPIN COMPLEX' +PDB 2BS0 unspecified 'MS2 (N87AE89K MUTANT) - VARIANT QBETA RNA HAIRPIN COMPLEX' +PDB 2BS1 unspecified 'MS2 (N87AE89K MUTANT) - QBETA RNA HAIRPIN COMPLEX' +PDB 2BU1 unspecified 'MS2-RNA HAIRPIN (5BRU -5) COMPLEX' +PDB 2C4Q unspecified 'MS2-RNA HAIRPIN (2ONE -5) COMPLEX' +PDB 2C4Y unspecified 'MS2-RNA HAIRPIN (SU-5) COMPLEX' +PDB 2C4Z unspecified 'MS2-RNA HAIRPIN (2SU -5-6) COMPLEX' +PDB 2C50 unspecified 'MS2-RNA HAIRPIN (A -5) COMPLEX' +PDB 2C51 unspecified 'MS2-RNA HAIRPIN (G -5) COMPLEX' +PDB 2MS2 unspecified 'MS2 VIRUS (BACTERIOPHAGE)' +PDB 5MSF unspecified 'F5 APTAMER MS2 COAT PROTEIN COMPLEX' +PDB 6MSF unspecified 'F6 APTAMER MS2 COAT PROTEIN COMPLEX' +PDB 7MSF unspecified 'F7 APTAMER MS2 COAT PROTEIN COMPLEX' +# +_pdbx_database_status.status_code REL +_pdbx_database_status.entry_id 2C4Q +_pdbx_database_status.deposit_site PDBE +_pdbx_database_status.process_site PDBE +_pdbx_database_status.SG_entry . +_pdbx_database_status.recvd_initial_deposition_date 2005-10-21 +_pdbx_database_status.pdb_format_compatible Y +_pdbx_database_status.status_code_sf REL +_pdbx_database_status.status_code_mr ? +_pdbx_database_status.status_code_cs ? +_pdbx_database_status.methods_development_category ? +_pdbx_database_status.status_code_nmr_data ? +# +loop_ +_audit_author.name +_audit_author.pdbx_ordinal +'Grahn, E.' 1 +'Moss, T.' 2 +'Helgstrand, C.' 3 +'Fridborg, K.' 4 +'Sundaram, M.' 5 +'Tars, K.' 6 +'Lago, H.' 7 +'Stonehouse, N.J.' 8 +'Davis, D.R.' 9 +'Stockley, P.G.' 10 +'Liljas, L.' 11 +# +_citation.id primary +_citation.title 'Structural basis of pyrimidine specificity in the MS2 RNA hairpin-coat-protein complex.' +_citation.journal_abbrev Rna +_citation.journal_volume 7 +_citation.page_first 1616 +_citation.page_last 1627 +_citation.year 2001 +_citation.journal_id_ASTM RNARFU +_citation.country UK +_citation.journal_id_ISSN 1355-8382 +_citation.journal_id_CSD 2122 +_citation.book_publisher ? +_citation.pdbx_database_id_PubMed 11720290 +_citation.pdbx_database_id_DOI ? +# +loop_ +_citation_author.citation_id +_citation_author.name +_citation_author.ordinal +_citation_author.identifier_ORCID +primary 'Grahn, E.' 1 ? +primary 'Moss, T.' 2 ? +primary 'Helgstrand, C.' 3 ? +primary 'Fridborg, K.' 4 ? +primary 'Sundaram, M.' 5 ? +primary 'Tars, K.' 6 ? +primary 'Lago, H.' 7 ? +primary 'Stonehouse, N.J.' 8 ? +primary 'Davis, D.R.' 9 ? +primary 'Stockley, P.G.' 10 ? +primary 'Liljas, L.' 11 ? +# +_cell.entry_id 2C4Q +_cell.length_a 288.000 +_cell.length_b 288.000 +_cell.length_c 653.000 +_cell.angle_alpha 90.00 +_cell.angle_beta 90.00 +_cell.angle_gamma 120.00 +_cell.Z_PDB 540 +_cell.pdbx_unique_axis ? +# +_symmetry.entry_id 2C4Q +_symmetry.space_group_name_H-M 'H 3 2' +_symmetry.pdbx_full_space_group_name_H-M ? +_symmetry.cell_setting ? +_symmetry.Int_Tables_number 155 +# +loop_ +_entity.id +_entity.type +_entity.src_method +_entity.pdbx_description +_entity.formula_weight +_entity.pdbx_number_of_molecules +_entity.pdbx_ec +_entity.pdbx_mutation +_entity.pdbx_fragment +_entity.details +1 polymer man 'COAT PROTEIN' 13738.464 3 ? ? ? ? +2 polymer syn +;5'-R(*AP*CP*AP*UP*GP*AP*GP*GP*AP*UP *PYO*AP*CP*CP*CP*AP*UP*GP*U)-3' +; +6046.658 2 ? ? ? ? +3 water nat water 18.015 179 ? ? ? ? +# +loop_ +_entity_poly.entity_id +_entity_poly.type +_entity_poly.nstd_linkage +_entity_poly.nstd_monomer +_entity_poly.pdbx_seq_one_letter_code +_entity_poly.pdbx_seq_one_letter_code_can +_entity_poly.pdbx_strand_id +_entity_poly.pdbx_target_identifier +1 'polypeptide(L)' no no +;ASNFTQFVLVDNGGTGDVTVAPSNFANGVAEWISSNSRSQAYKVTCSVRQSSAQNRKYTIKVEVPKVATQTVGGVELPVA +AWRSYLNMELTIPIFATNSDCELIVKAMQGLLKDGNPIPSAIAANSGIY +; +;ASNFTQFVLVDNGGTGDVTVAPSNFANGVAEWISSNSRSQAYKVTCSVRQSSAQNRKYTIKVEVPKVATQTVGGVELPVA +AWRSYLNMELTIPIFATNSDCELIVKAMQGLLKDGNPIPSAIAANSGIY +; +A,B,C ? +2 polyribonucleotide no yes 'ACAUGAGGAU(PYO)ACCCAUGU' ACAUGAGGAUUACCCAUGU R,S ? +# +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 SER n +1 3 ASN n +1 4 PHE n +1 5 THR n +1 6 GLN n +1 7 PHE n +1 8 VAL n +1 9 LEU n +1 10 VAL n +1 11 ASP n +1 12 ASN n +1 13 GLY n +1 14 GLY n +1 15 THR n +1 16 GLY n +1 17 ASP n +1 18 VAL n +1 19 THR n +1 20 VAL n +1 21 ALA n +1 22 PRO n +1 23 SER n +1 24 ASN n +1 25 PHE n +1 26 ALA n +1 27 ASN n +1 28 GLY n +1 29 VAL n +1 30 ALA n +1 31 GLU n +1 32 TRP n +1 33 ILE n +1 34 SER n +1 35 SER n +1 36 ASN n +1 37 SER n +1 38 ARG n +1 39 SER n +1 40 GLN n +1 41 ALA n +1 42 TYR n +1 43 LYS n +1 44 VAL n +1 45 THR n +1 46 CYS n +1 47 SER n +1 48 VAL n +1 49 ARG n +1 50 GLN n +1 51 SER n +1 52 SER n +1 53 ALA n +1 54 GLN n +1 55 ASN n +1 56 ARG n +1 57 LYS n +1 58 TYR n +1 59 THR n +1 60 ILE n +1 61 LYS n +1 62 VAL n +1 63 GLU n +1 64 VAL n +1 65 PRO n +1 66 LYS n +1 67 VAL n +1 68 ALA n +1 69 THR n +1 70 GLN n +1 71 THR n +1 72 VAL n +1 73 GLY n +1 74 GLY n +1 75 VAL n +1 76 GLU n +1 77 LEU n +1 78 PRO n +1 79 VAL n +1 80 ALA n +1 81 ALA n +1 82 TRP n +1 83 ARG n +1 84 SER n +1 85 TYR n +1 86 LEU n +1 87 ASN n +1 88 MET n +1 89 GLU n +1 90 LEU n +1 91 THR n +1 92 ILE n +1 93 PRO n +1 94 ILE n +1 95 PHE n +1 96 ALA n +1 97 THR n +1 98 ASN n +1 99 SER n +1 100 ASP n +1 101 CYS n +1 102 GLU n +1 103 LEU n +1 104 ILE n +1 105 VAL n +1 106 LYS n +1 107 ALA n +1 108 MET n +1 109 GLN n +1 110 GLY n +1 111 LEU n +1 112 LEU n +1 113 LYS n +1 114 ASP n +1 115 GLY n +1 116 ASN n +1 117 PRO n +1 118 ILE n +1 119 PRO n +1 120 SER n +1 121 ALA n +1 122 ILE n +1 123 ALA n +1 124 ALA n +1 125 ASN n +1 126 SER n +1 127 GLY n +1 128 ILE n +1 129 TYR n +2 1 A n +2 2 C n +2 3 A n +2 4 U n +2 5 G n +2 6 A n +2 7 G n +2 8 G n +2 9 A n +2 10 U n +2 11 PYO n +2 12 A n +2 13 C n +2 14 C n +2 15 C n +2 16 A n +2 17 U n +2 18 G n +2 19 U n +# +_entity_src_gen.entity_id 1 +_entity_src_gen.pdbx_src_id 1 +_entity_src_gen.pdbx_alt_source_flag sample +_entity_src_gen.pdbx_seq_type ? +_entity_src_gen.pdbx_beg_seq_num ? +_entity_src_gen.pdbx_end_seq_num ? +_entity_src_gen.gene_src_common_name ? +_entity_src_gen.gene_src_genus ? +_entity_src_gen.pdbx_gene_src_gene ? +_entity_src_gen.gene_src_species ? +_entity_src_gen.gene_src_strain ? +_entity_src_gen.gene_src_tissue ? +_entity_src_gen.gene_src_tissue_fraction ? +_entity_src_gen.gene_src_details ? +_entity_src_gen.pdbx_gene_src_fragment ? +_entity_src_gen.pdbx_gene_src_scientific_name 'ENTEROBACTERIO PHAGE MS2' +_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 12022 +_entity_src_gen.pdbx_gene_src_variant ? +_entity_src_gen.pdbx_gene_src_cell_line ? +_entity_src_gen.pdbx_gene_src_atcc ? +_entity_src_gen.pdbx_gene_src_organ ? +_entity_src_gen.pdbx_gene_src_organelle ? +_entity_src_gen.pdbx_gene_src_cell ? +_entity_src_gen.pdbx_gene_src_cellular_location ? +_entity_src_gen.host_org_common_name ? +_entity_src_gen.pdbx_host_org_scientific_name 'ESCHERICHIA COLI' +_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 562 +_entity_src_gen.host_org_genus ? +_entity_src_gen.pdbx_host_org_gene ? +_entity_src_gen.pdbx_host_org_organ ? +_entity_src_gen.host_org_species ? +_entity_src_gen.pdbx_host_org_tissue ? +_entity_src_gen.pdbx_host_org_tissue_fraction ? +_entity_src_gen.pdbx_host_org_strain ? +_entity_src_gen.pdbx_host_org_variant ? +_entity_src_gen.pdbx_host_org_cell_line ? +_entity_src_gen.pdbx_host_org_atcc ? +_entity_src_gen.pdbx_host_org_culture_collection ? +_entity_src_gen.pdbx_host_org_cell ? +_entity_src_gen.pdbx_host_org_organelle ? +_entity_src_gen.pdbx_host_org_cellular_location ? +_entity_src_gen.pdbx_host_org_vector_type ? +_entity_src_gen.pdbx_host_org_vector ? +_entity_src_gen.host_org_details ? +_entity_src_gen.expression_system_id ? +_entity_src_gen.plasmid_name ? +_entity_src_gen.plasmid_details ? +_entity_src_gen.pdbx_description ? +# +_pdbx_entity_src_syn.entity_id 2 +_pdbx_entity_src_syn.pdbx_src_id 1 +_pdbx_entity_src_syn.pdbx_alt_source_flag sample +_pdbx_entity_src_syn.pdbx_beg_seq_num ? +_pdbx_entity_src_syn.pdbx_end_seq_num ? +_pdbx_entity_src_syn.organism_scientific 'ENTEROBACTERIO PHAGE MS2' +_pdbx_entity_src_syn.organism_common_name ? +_pdbx_entity_src_syn.ncbi_taxonomy_id 12022 +_pdbx_entity_src_syn.details ? +# +loop_ +_struct_ref.id +_struct_ref.db_name +_struct_ref.db_code +_struct_ref.entity_id +_struct_ref.pdbx_seq_one_letter_code +_struct_ref.pdbx_align_begin +_struct_ref.pdbx_db_accession +_struct_ref.pdbx_db_isoform +1 UNP COAT_BPMS2 1 ? ? P03612 ? +2 PDB 2C4Q 2 ? ? 2C4Q ? +# +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 2C4Q A 1 ? 129 ? P03612 1 ? 129 ? 1 129 +2 1 2C4Q B 1 ? 129 ? P03612 1 ? 129 ? 1 129 +3 1 2C4Q C 1 ? 129 ? P03612 1 ? 129 ? 1 129 +4 2 2C4Q R 1 ? 19 ? 2C4Q 1 ? 19 ? 1 19 +5 2 2C4Q S 1 ? 19 ? 2C4Q 1 ? 19 ? 1 19 +# +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 +A 'RNA linking' y "ADENOSINE-5'-MONOPHOSPHATE" ? 'C10 H14 N5 O7 P' 347.221 +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 +C 'RNA linking' y "CYTIDINE-5'-MONOPHOSPHATE" ? 'C9 H14 N3 O8 P' 323.197 +CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 +G 'RNA linking' y "GUANOSINE-5'-MONOPHOSPHATE" ? 'C10 H14 N5 O8 P' 363.221 +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 +HOH non-polymer . WATER ? 'H2 O' 18.015 +ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 +LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 +LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 +MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 +PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 +PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 +PYO 'RNA linking' n "1-(BETA-D-RIBOFURANOSYL)-PYRIMIDIN-2-ONE-5'-PHOSPHATE" ? 'C9 H13 N2 O8 P' 308.182 +SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 +THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119 +TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.225 +TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189 +U 'RNA linking' y "URIDINE-5'-MONOPHOSPHATE" ? 'C9 H13 N2 O9 P' 324.181 +VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 +# +_exptl.entry_id 2C4Q +_exptl.method 'X-RAY DIFFRACTION' +_exptl.crystals_number 1 +# +_exptl_crystal.id 1 +_exptl_crystal.density_meas ? +_exptl_crystal.density_Matthews ? +_exptl_crystal.density_percent_sol ? +_exptl_crystal.description NONE +# +_diffrn.id 1 +_diffrn.ambient_temp 278 +_diffrn.ambient_temp_details ? +_diffrn.crystal_id 1 +# +_diffrn_detector.diffrn_id 1 +_diffrn_detector.detector CCD +_diffrn_detector.type MARRESEARCH +_diffrn_detector.pdbx_collection_date 1999-06-16 +_diffrn_detector.details ? +# +_diffrn_radiation.diffrn_id 1 +_diffrn_radiation.wavelength_id 1 +_diffrn_radiation.pdbx_monochromatic_or_laue_m_l M +_diffrn_radiation.monochromator ? +_diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' +_diffrn_radiation.pdbx_scattering_type x-ray +# +_diffrn_radiation_wavelength.id 1 +_diffrn_radiation_wavelength.wavelength 0.933 +_diffrn_radiation_wavelength.wt 1.0 +# +_diffrn_source.diffrn_id 1 +_diffrn_source.source SYNCHROTRON +_diffrn_source.type 'ESRF BEAMLINE ID14-3' +_diffrn_source.pdbx_synchrotron_site ESRF +_diffrn_source.pdbx_synchrotron_beamline ID14-3 +_diffrn_source.pdbx_wavelength 0.933 +_diffrn_source.pdbx_wavelength_list ? +# +_reflns.pdbx_diffrn_id 1 +_reflns.pdbx_ordinal 1 +_reflns.entry_id 2C4Q +_reflns.observed_criterion_sigma_I . +_reflns.observed_criterion_sigma_F ? +_reflns.d_resolution_low 30.00 +_reflns.d_resolution_high 2.38 +_reflns.number_obs 255777 +_reflns.number_all ? +_reflns.percent_possible_obs 62.0 +_reflns.pdbx_Rmerge_I_obs 0.18 +_reflns.pdbx_Rsym_value ? +_reflns.pdbx_netI_over_sigmaI 7.00 +_reflns.B_iso_Wilson_estimate 37.7 +_reflns.pdbx_redundancy 4.2 +# +_reflns_shell.pdbx_diffrn_id 1 +_reflns_shell.pdbx_ordinal 1 +_reflns_shell.d_res_high 2.38 +_reflns_shell.d_res_low 2.48 +_reflns_shell.percent_possible_all 10.0 +_reflns_shell.Rmerge_I_obs 0.20 +_reflns_shell.pdbx_Rsym_value ? +_reflns_shell.meanI_over_sigI_obs 1.50 +_reflns_shell.pdbx_redundancy 1.1 +# +_refine.pdbx_refine_id 'X-RAY DIFFRACTION' +_refine.entry_id 2C4Q +_refine.pdbx_diffrn_id 1 +_refine.pdbx_TLS_residual_ADP_flag ? +_refine.ls_number_reflns_obs 255841 +_refine.ls_number_reflns_all ? +_refine.pdbx_ls_sigma_I ? +_refine.pdbx_ls_sigma_F 0.0 +_refine.pdbx_data_cutoff_high_absF ? +_refine.pdbx_data_cutoff_low_absF ? +_refine.pdbx_data_cutoff_high_rms_absF ? +_refine.ls_d_res_low 30. +_refine.ls_d_res_high 2.38 +_refine.ls_percent_reflns_obs 62. +_refine.ls_R_factor_obs 0.19 +_refine.ls_R_factor_all ? +_refine.ls_R_factor_R_work 0.19 +_refine.ls_R_factor_R_free 0.244 +_refine.ls_R_factor_R_free_error ? +_refine.ls_R_factor_R_free_error_details ? +_refine.ls_percent_reflns_R_free 1.0 +_refine.ls_number_reflns_R_free 2539 +_refine.ls_number_parameters ? +_refine.ls_number_restraints ? +_refine.occupancy_min ? +_refine.occupancy_max ? +_refine.correlation_coeff_Fo_to_Fc ? +_refine.correlation_coeff_Fo_to_Fc_free ? +_refine.B_iso_mean 42.4 +_refine.aniso_B[1][1] ? +_refine.aniso_B[2][2] ? +_refine.aniso_B[3][3] ? +_refine.aniso_B[1][2] ? +_refine.aniso_B[1][3] ? +_refine.aniso_B[2][3] ? +_refine.solvent_model_details 'FLAT MODEL' +_refine.solvent_model_param_ksol 0.260511 +_refine.solvent_model_param_bsol 28.2576 +_refine.pdbx_solvent_vdw_probe_radii ? +_refine.pdbx_solvent_ion_probe_radii ? +_refine.pdbx_solvent_shrinkage_radii ? +_refine.pdbx_ls_cross_valid_method THROUGHOUT +_refine.details ? +_refine.pdbx_starting_model 'PDB ENTRY 2MS2' +_refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' +_refine.pdbx_isotropic_thermal_model ? +_refine.pdbx_stereochemistry_target_values ? +_refine.pdbx_stereochem_target_val_spec_case ? +_refine.pdbx_R_Free_selection_details ? +_refine.pdbx_overall_ESU_R ? +_refine.pdbx_overall_ESU_R_Free ? +_refine.overall_SU_ML ? +_refine.pdbx_overall_phase_error ? +_refine.overall_SU_B ? +_refine.overall_SU_R_Cruickshank_DPI ? +_refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? +_refine.pdbx_overall_SU_R_Blow_DPI ? +_refine.pdbx_overall_SU_R_free_Blow_DPI ? +# +_refine_analyze.pdbx_refine_id 'X-RAY DIFFRACTION' +_refine_analyze.entry_id 2C4Q +_refine_analyze.Luzzati_coordinate_error_obs 0.32 +_refine_analyze.Luzzati_sigma_a_obs 0.38 +_refine_analyze.Luzzati_d_res_low_obs 6.00 +_refine_analyze.Luzzati_coordinate_error_free 0.30 +_refine_analyze.Luzzati_sigma_a_free 0.35 +_refine_analyze.Luzzati_d_res_low_free ? +_refine_analyze.number_disordered_residues ? +_refine_analyze.occupancy_sum_hydrogen ? +_refine_analyze.occupancy_sum_non_hydrogen ? +# +_refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' +_refine_hist.cycle_id LAST +_refine_hist.pdbx_number_atoms_protein 2895 +_refine_hist.pdbx_number_atoms_nucleic_acid 716 +_refine_hist.pdbx_number_atoms_ligand 0 +_refine_hist.number_atoms_solvent 179 +_refine_hist.number_atoms_total 3790 +_refine_hist.d_res_high 2.38 +_refine_hist.d_res_low 30. +# +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 +c_bond_d 0.007 ? ? ? 'X-RAY DIFFRACTION' ? +c_bond_d_na ? ? ? ? 'X-RAY DIFFRACTION' ? +c_bond_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ? +c_angle_d ? ? ? ? 'X-RAY DIFFRACTION' ? +c_angle_d_na ? ? ? ? 'X-RAY DIFFRACTION' ? +c_angle_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ? +c_angle_deg 1.4 ? ? ? 'X-RAY DIFFRACTION' ? +c_angle_deg_na ? ? ? ? 'X-RAY DIFFRACTION' ? +c_angle_deg_prot ? ? ? ? 'X-RAY DIFFRACTION' ? +c_dihedral_angle_d 23.8 ? ? ? 'X-RAY DIFFRACTION' ? +c_dihedral_angle_d_na ? ? ? ? 'X-RAY DIFFRACTION' ? +c_dihedral_angle_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ? +c_improper_angle_d 2.04 ? ? ? 'X-RAY DIFFRACTION' ? +c_improper_angle_d_na ? ? ? ? 'X-RAY DIFFRACTION' ? +c_improper_angle_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ? +c_mcbond_it ? ? ? ? 'X-RAY DIFFRACTION' ? +c_mcangle_it ? ? ? ? 'X-RAY DIFFRACTION' ? +c_scbond_it ? ? ? ? 'X-RAY DIFFRACTION' ? +c_scangle_it ? ? ? ? 'X-RAY DIFFRACTION' ? +# +_refine_ls_restr_ncs.pdbx_refine_id 'X-RAY DIFFRACTION' +_refine_ls_restr_ncs.dom_id 1 +_refine_ls_restr_ncs.ncs_model_details CONSTRAINTS +_refine_ls_restr_ncs.rms_dev_position ? +_refine_ls_restr_ncs.weight_position ? +_refine_ls_restr_ncs.rms_dev_B_iso ? +_refine_ls_restr_ncs.weight_B_iso ? +_refine_ls_restr_ncs.pdbx_ordinal 1 +_refine_ls_restr_ncs.pdbx_type . +_refine_ls_restr_ncs.pdbx_auth_asym_id . +_refine_ls_restr_ncs.pdbx_ens_id 1 +_refine_ls_restr_ncs.pdbx_number ? +_refine_ls_restr_ncs.pdbx_asym_id ? +_refine_ls_restr_ncs.pdbx_rms ? +_refine_ls_restr_ncs.pdbx_weight ? +# +_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 2.38 +_refine_ls_shell.d_res_low 2.42 +_refine_ls_shell.number_reflns_R_work 1454 +_refine_ls_shell.R_factor_R_work 0.333 +_refine_ls_shell.percent_reflns_obs 7.1 +_refine_ls_shell.R_factor_R_free ? +_refine_ls_shell.R_factor_R_free_error ? +_refine_ls_shell.percent_reflns_R_free ? +_refine_ls_shell.number_reflns_R_free ? +_refine_ls_shell.number_reflns_all ? +_refine_ls_shell.R_factor_all ? +# +loop_ +_struct_ncs_oper.id +_struct_ncs_oper.code +_struct_ncs_oper.details +_struct_ncs_oper.matrix[1][1] +_struct_ncs_oper.matrix[1][2] +_struct_ncs_oper.matrix[1][3] +_struct_ncs_oper.matrix[2][1] +_struct_ncs_oper.matrix[2][2] +_struct_ncs_oper.matrix[2][3] +_struct_ncs_oper.matrix[3][1] +_struct_ncs_oper.matrix[3][2] +_struct_ncs_oper.matrix[3][3] +_struct_ncs_oper.vector[1] +_struct_ncs_oper.vector[2] +_struct_ncs_oper.vector[3] +1 given ? 1.000000 0.000000 0.000000 0.000000 1.000000 0.000000 0.000000 0.000000 1.000000 0.00000 0.00000 0.00000 +2 generate ? 0.809017 0.110264 -0.577350 0.467086 0.475684 0.745356 0.356822 -0.872678 0.333333 0.00000 0.00000 0.00000 +3 generate ? 0.500000 0.645497 -0.577350 0.866025 -0.372678 0.333333 0.000000 -0.666667 -0.745356 0.00000 0.00000 0.00000 +4 generate ? 0.500000 0.866025 0.000000 0.645497 -0.372678 -0.666667 -0.577350 0.333333 -0.745356 0.00000 0.00000 0.00000 +5 generate ? 0.809017 0.467086 0.356822 0.110264 0.475684 -0.872678 -0.577350 0.745356 0.333333 0.00000 0.00000 0.00000 +6 generate ? 0.309017 0.755761 0.577350 0.755761 -0.563661 0.333333 0.577350 0.333333 -0.745356 0.00000 0.00000 0.00000 +7 generate ? 0.809017 -0.110264 0.577350 0.467086 -0.475684 -0.745356 0.356822 0.872678 -0.333333 0.00000 0.00000 0.00000 +8 generate ? 0.809017 -0.467086 -0.356822 -0.110264 0.475684 -0.872678 0.577350 0.745356 0.333333 0.00000 0.00000 0.00000 +9 generate ? 0.309017 0.178411 -0.934172 -0.178411 0.975684 0.127322 0.934172 0.127322 0.333333 0.00000 0.00000 0.00000 +10 generate ? 0.000000 0.934172 -0.356822 0.356822 0.333333 0.872678 0.934172 -0.127322 -0.333333 0.00000 0.00000 0.00000 +# +_struct_ncs_dom.id 1 +_struct_ncs_dom.details ? +_struct_ncs_dom.pdbx_ens_id 1 +# +_struct_ncs_ens.id 1 +_struct_ncs_ens.details ? +# +_struct.entry_id 2C4Q +_struct.title 'MS2-RNA HAIRPIN (2ONE -5) COMPLEX' +_struct.pdbx_model_details ? +_struct.pdbx_CASP_flag ? +_struct.pdbx_model_type_details ? +# +_struct_keywords.entry_id 2C4Q +_struct_keywords.pdbx_keywords VIRUS/RNA +_struct_keywords.text +;VIRUS/RNA, CAPSID, COMPLEX (CAPSID PROTEIN-RNA HAIRPIN), HAIRPIN, LEVIVIRUS, VIRUS/VIRAL PROTEIN/RNA, VIRUS COAT PROTEIN, ICOSAHEDRAL VIRUS, VIRUS-RNA complex +; +# +loop_ +_struct_asym.id +_struct_asym.pdbx_blank_PDB_chainid_flag +_struct_asym.pdbx_modified +_struct_asym.entity_id +_struct_asym.details +A N N 1 ? +B N N 1 ? +C N N 1 ? +D N N 2 ? +E N N 2 ? +F N N 3 ? +G N N 3 ? +H N N 3 ? +I N N 3 ? +# +_struct_biol.id 1 +# +loop_ +_struct_conf.conf_type_id +_struct_conf.id +_struct_conf.pdbx_PDB_helix_id +_struct_conf.beg_label_comp_id +_struct_conf.beg_label_asym_id +_struct_conf.beg_label_seq_id +_struct_conf.pdbx_beg_PDB_ins_code +_struct_conf.end_label_comp_id +_struct_conf.end_label_asym_id +_struct_conf.end_label_seq_id +_struct_conf.pdbx_end_PDB_ins_code +_struct_conf.beg_auth_comp_id +_struct_conf.beg_auth_asym_id +_struct_conf.beg_auth_seq_id +_struct_conf.end_auth_comp_id +_struct_conf.end_auth_asym_id +_struct_conf.end_auth_seq_id +_struct_conf.pdbx_PDB_helix_class +_struct_conf.details +_struct_conf.pdbx_PDB_helix_length +HELX_P HELX_P1 1 PHE A 25 ? VAL A 29 ? PHE A 25 VAL A 29 5 ? 5 +HELX_P HELX_P2 2 THR A 97 ? LEU A 112 ? THR A 97 LEU A 112 1 ? 16 +HELX_P HELX_P3 3 ASN A 116 ? ALA A 124 ? ASN A 116 ALA A 124 1 ? 9 +HELX_P HELX_P4 4 PHE B 25 ? VAL B 29 ? PHE B 25 VAL B 29 5 ? 5 +HELX_P HELX_P5 5 PRO B 78 ? ALA B 81 ? PRO B 78 ALA B 81 5 ? 4 +HELX_P HELX_P6 6 THR B 97 ? LYS B 113 ? THR B 97 LYS B 113 1 ? 17 +HELX_P HELX_P7 7 ASN B 116 ? ALA B 124 ? ASN B 116 ALA B 124 1 ? 9 +HELX_P HELX_P8 8 SER C 37 ? ALA C 41 ? SER C 37 ALA C 41 5 ? 5 +HELX_P HELX_P9 9 THR C 97 ? LYS C 113 ? THR C 97 LYS C 113 1 ? 17 +HELX_P HELX_P10 10 ASN C 116 ? ALA C 124 ? ASN C 116 ALA C 124 1 ? 9 +# +_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 +_struct_conn.pdbx_role +covale1 covale both ? D U 10 "O3'" ? ? ? 1_555 D PYO 11 P ? ? R U 10 R PYO 11 1_555 ? ? ? ? ? ? ? 1.600 ? ? +covale2 covale both ? D PYO 11 "O3'" ? ? ? 1_555 D A 12 P ? ? R PYO 11 R A 12 1_555 ? ? ? ? ? ? ? 1.605 ? ? +covale3 covale both ? E U 10 "O3'" ? ? ? 1_555 E PYO 11 P ? ? S U 10 S PYO 11 1_555 ? ? ? ? ? ? ? 1.603 ? ? +covale4 covale both ? E PYO 11 "O3'" ? ? ? 1_555 E A 12 P ? ? S PYO 11 S A 12 1_555 ? ? ? ? ? ? ? 1.603 ? ? +hydrog1 hydrog ? ? D C 2 N3 ? ? ? 1_555 D G 18 N1 ? ? R C 2 R G 18 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog2 hydrog ? ? D C 2 N4 ? ? ? 1_555 D G 18 O6 ? ? R C 2 R G 18 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog3 hydrog ? ? D C 2 O2 ? ? ? 1_555 D G 18 N2 ? ? R C 2 R G 18 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog4 hydrog ? ? D A 3 N1 ? ? ? 1_555 D U 17 N3 ? ? R A 3 R U 17 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog5 hydrog ? ? D A 3 N6 ? ? ? 1_555 D U 17 O4 ? ? R A 3 R U 17 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog6 hydrog ? ? D U 4 N3 ? ? ? 1_555 D A 16 N1 ? ? R U 4 R A 16 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog7 hydrog ? ? D U 4 O4 ? ? ? 1_555 D A 16 N6 ? ? R U 4 R A 16 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog8 hydrog ? ? D G 5 N1 ? ? ? 1_555 D C 15 N3 ? ? R G 5 R C 15 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog9 hydrog ? ? D G 5 N2 ? ? ? 1_555 D C 15 O2 ? ? R G 5 R C 15 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog10 hydrog ? ? D G 5 O6 ? ? ? 1_555 D C 15 N4 ? ? R G 5 R C 15 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog11 hydrog ? ? D G 7 N1 ? ? ? 1_555 D C 14 N3 ? ? R G 7 R C 14 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog12 hydrog ? ? D G 7 N2 ? ? ? 1_555 D C 14 O2 ? ? R G 7 R C 14 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog13 hydrog ? ? D G 7 O6 ? ? ? 1_555 D C 14 N4 ? ? R G 7 R C 14 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog14 hydrog ? ? D G 8 N1 ? ? ? 1_555 D C 13 N3 ? ? R G 8 R C 13 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog15 hydrog ? ? D G 8 N2 ? ? ? 1_555 D C 13 O2 ? ? R G 8 R C 13 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog16 hydrog ? ? D G 8 O6 ? ? ? 1_555 D C 13 N4 ? ? R G 8 R C 13 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog17 hydrog ? ? E C 2 N3 ? ? ? 1_555 E G 18 N1 ? ? S C 2 S G 18 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog18 hydrog ? ? E C 2 N4 ? ? ? 1_555 E G 18 O6 ? ? S C 2 S G 18 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog19 hydrog ? ? E C 2 O2 ? ? ? 1_555 E G 18 N2 ? ? S C 2 S G 18 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog20 hydrog ? ? E A 3 N1 ? ? ? 1_555 E U 17 N3 ? ? S A 3 S U 17 1_555 ? ? ? ? ? ? 'A-U PAIR' ? ? ? +hydrog21 hydrog ? ? E U 4 N3 ? ? ? 1_555 E A 16 N1 ? ? S U 4 S A 16 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog22 hydrog ? ? E U 4 O4 ? ? ? 1_555 E A 16 N6 ? ? S U 4 S A 16 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog23 hydrog ? ? E G 5 N1 ? ? ? 1_555 E C 15 N3 ? ? S G 5 S C 15 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog24 hydrog ? ? E G 5 N2 ? ? ? 1_555 E C 15 O2 ? ? S G 5 S C 15 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog25 hydrog ? ? E G 5 O6 ? ? ? 1_555 E C 15 N4 ? ? S G 5 S C 15 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog26 hydrog ? ? E G 7 N2 ? ? ? 1_555 E C 14 O2 ? ? S G 7 S C 14 1_555 ? ? ? ? ? ? 'G-C PAIR' ? ? ? +hydrog27 hydrog ? ? E G 8 N1 ? ? ? 1_555 E C 13 N3 ? ? S G 8 S C 13 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog28 hydrog ? ? E G 8 N2 ? ? ? 1_555 E C 13 O2 ? ? S G 8 S C 13 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog29 hydrog ? ? E G 8 O6 ? ? ? 1_555 E C 13 N4 ? ? S G 8 S C 13 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +# +loop_ +_struct_conn_type.id +_struct_conn_type.criteria +_struct_conn_type.reference +covale ? ? +hydrog ? ? +# +_struct_mon_prot_cis.pdbx_id 1 +_struct_mon_prot_cis.label_comp_id LEU +_struct_mon_prot_cis.label_seq_id 77 +_struct_mon_prot_cis.label_asym_id B +_struct_mon_prot_cis.label_alt_id . +_struct_mon_prot_cis.pdbx_PDB_ins_code ? +_struct_mon_prot_cis.auth_comp_id LEU +_struct_mon_prot_cis.auth_seq_id 77 +_struct_mon_prot_cis.auth_asym_id B +_struct_mon_prot_cis.pdbx_label_comp_id_2 PRO +_struct_mon_prot_cis.pdbx_label_seq_id_2 78 +_struct_mon_prot_cis.pdbx_label_asym_id_2 B +_struct_mon_prot_cis.pdbx_PDB_ins_code_2 ? +_struct_mon_prot_cis.pdbx_auth_comp_id_2 PRO +_struct_mon_prot_cis.pdbx_auth_seq_id_2 78 +_struct_mon_prot_cis.pdbx_auth_asym_id_2 B +_struct_mon_prot_cis.pdbx_PDB_model_num 1 +_struct_mon_prot_cis.pdbx_omega_angle -0.36 +# +loop_ +_struct_sheet.id +_struct_sheet.type +_struct_sheet.number_strands +_struct_sheet.details +AA ? 12 ? +CA ? 6 ? +# +loop_ +_struct_sheet_order.sheet_id +_struct_sheet_order.range_id_1 +_struct_sheet_order.range_id_2 +_struct_sheet_order.offset +_struct_sheet_order.sense +AA 1 2 ? anti-parallel +AA 2 3 ? anti-parallel +AA 3 4 ? anti-parallel +AA 4 5 ? anti-parallel +AA 5 6 ? anti-parallel +AA 6 7 ? anti-parallel +AA 7 8 ? anti-parallel +AA 8 9 ? anti-parallel +AA 9 10 ? anti-parallel +AA 10 11 ? anti-parallel +AA 11 12 ? anti-parallel +CA 1 2 ? anti-parallel +CA 2 3 ? anti-parallel +CA 3 4 ? anti-parallel +CA 4 5 ? anti-parallel +CA 5 6 ? anti-parallel +# +loop_ +_struct_sheet_range.sheet_id +_struct_sheet_range.id +_struct_sheet_range.beg_label_comp_id +_struct_sheet_range.beg_label_asym_id +_struct_sheet_range.beg_label_seq_id +_struct_sheet_range.pdbx_beg_PDB_ins_code +_struct_sheet_range.end_label_comp_id +_struct_sheet_range.end_label_asym_id +_struct_sheet_range.end_label_seq_id +_struct_sheet_range.pdbx_end_PDB_ins_code +_struct_sheet_range.beg_auth_comp_id +_struct_sheet_range.beg_auth_asym_id +_struct_sheet_range.beg_auth_seq_id +_struct_sheet_range.end_auth_comp_id +_struct_sheet_range.end_auth_asym_id +_struct_sheet_range.end_auth_seq_id +AA 1 PHE A 7 ? VAL A 10 ? PHE A 7 VAL A 10 +AA 2 VAL A 18 ? ASN A 24 ? VAL A 18 ASN A 24 +AA 3 ALA A 30 ? ILE A 33 ? ALA A 30 ILE A 33 +AA 4 LYS A 43 ? ARG A 49 ? LYS A 43 ARG A 49 +AA 5 ASN A 55 ? VAL A 72 ? ASN A 55 VAL A 72 +AA 6 VAL A 75 ? PRO A 93 ? VAL A 75 PRO A 93 +AA 7 ARG B 83 ? PRO B 93 ? ARG B 83 PRO B 93 +AA 8 ASN B 55 ? PRO B 65 ? ASN B 55 PRO B 65 +AA 9 LYS B 43 ? ARG B 49 ? LYS B 43 ARG B 49 +AA 10 ALA B 30 ? ILE B 33 ? ALA B 30 ILE B 33 +AA 11 VAL B 18 ? ASN B 24 ? VAL B 18 ASN B 24 +AA 12 PHE B 7 ? VAL B 10 ? PHE B 7 VAL B 10 +CA 1 PHE C 7 ? VAL C 10 ? PHE C 7 VAL C 10 +CA 2 VAL C 18 ? ALA C 26 ? VAL C 18 ALA C 26 +CA 3 VAL C 29 ? SER C 34 ? VAL C 29 SER C 34 +CA 4 LYS C 43 ? GLN C 50 ? LYS C 43 GLN C 50 +CA 5 ASN C 55 ? VAL C 72 ? ASN C 55 VAL C 72 +CA 6 VAL C 75 ? PRO C 93 ? VAL C 75 PRO C 93 +# +loop_ +_pdbx_struct_sheet_hbond.sheet_id +_pdbx_struct_sheet_hbond.range_id_1 +_pdbx_struct_sheet_hbond.range_id_2 +_pdbx_struct_sheet_hbond.range_1_label_atom_id +_pdbx_struct_sheet_hbond.range_1_label_comp_id +_pdbx_struct_sheet_hbond.range_1_label_asym_id +_pdbx_struct_sheet_hbond.range_1_label_seq_id +_pdbx_struct_sheet_hbond.range_1_PDB_ins_code +_pdbx_struct_sheet_hbond.range_1_auth_atom_id +_pdbx_struct_sheet_hbond.range_1_auth_comp_id +_pdbx_struct_sheet_hbond.range_1_auth_asym_id +_pdbx_struct_sheet_hbond.range_1_auth_seq_id +_pdbx_struct_sheet_hbond.range_2_label_atom_id +_pdbx_struct_sheet_hbond.range_2_label_comp_id +_pdbx_struct_sheet_hbond.range_2_label_asym_id +_pdbx_struct_sheet_hbond.range_2_label_seq_id +_pdbx_struct_sheet_hbond.range_2_PDB_ins_code +_pdbx_struct_sheet_hbond.range_2_auth_atom_id +_pdbx_struct_sheet_hbond.range_2_auth_comp_id +_pdbx_struct_sheet_hbond.range_2_auth_asym_id +_pdbx_struct_sheet_hbond.range_2_auth_seq_id +AA 1 2 N LEU A 9 ? N LEU A 9 O VAL A 18 ? O VAL A 18 +AA 2 3 N SER A 23 ? N SER A 23 O GLU A 31 ? O GLU A 31 +AA 3 4 N TRP A 32 ? N TRP A 32 O VAL A 44 ? O VAL A 44 +AA 4 5 N ARG A 49 ? N ARG A 49 O LYS A 57 ? O LYS A 57 +AA 5 6 N VAL A 72 ? N VAL A 72 O VAL A 75 ? O VAL A 75 +AA 6 7 N THR A 91 ? N THR A 91 O TYR B 85 ? O TYR B 85 +AA 7 8 N ILE B 92 ? N ILE B 92 O ARG B 56 ? O ARG B 56 +AA 8 9 N GLU B 63 ? N GLU B 63 O LYS B 43 ? O LYS B 43 +AA 9 10 N CYS B 46 ? N CYS B 46 O ALA B 30 ? O ALA B 30 +AA 10 11 N ILE B 33 ? N ILE B 33 O ALA B 21 ? O ALA B 21 +AA 11 12 N VAL B 20 ? N VAL B 20 O PHE B 7 ? O PHE B 7 +CA 1 2 N LEU C 9 ? N LEU C 9 O VAL C 18 ? O VAL C 18 +CA 2 3 N ALA C 26 ? N ALA C 26 O VAL C 29 ? O VAL C 29 +CA 3 4 N TRP C 32 ? N TRP C 32 O VAL C 44 ? O VAL C 44 +CA 4 5 N ARG C 49 ? N ARG C 49 O LYS C 57 ? O LYS C 57 +CA 5 6 N VAL C 72 ? N VAL C 72 O VAL C 75 ? O VAL C 75 +# +_database_PDB_matrix.entry_id 2C4Q +_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 2C4Q +_atom_sites.fract_transf_matrix[1][1] 0.003472 +_atom_sites.fract_transf_matrix[1][2] 0.002005 +_atom_sites.fract_transf_matrix[1][3] 0.000000 +_atom_sites.fract_transf_matrix[2][1] 0.000000 +_atom_sites.fract_transf_matrix[2][2] 0.004009 +_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] 0.001531 +_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 +P +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 ? -114.898 -65.993 -16.497 1.00 64.20 ? 1 ALA A N 1 +ATOM 2 C CA . ALA A 1 1 ? -115.003 -64.512 -16.335 1.00 63.30 ? 1 ALA A CA 1 +ATOM 3 C C . ALA A 1 1 ? -113.800 -63.758 -16.941 1.00 62.61 ? 1 ALA A C 1 +ATOM 4 O O . ALA A 1 1 ? -113.053 -64.283 -17.787 1.00 64.31 ? 1 ALA A O 1 +ATOM 5 C CB . ALA A 1 1 ? -115.166 -64.148 -14.845 1.00 62.82 ? 1 ALA A CB 1 +ATOM 6 N N . SER A 1 2 ? -113.645 -62.518 -16.487 1.00 58.58 ? 2 SER A N 1 +ATOM 7 C CA . SER A 1 2 ? -112.608 -61.562 -16.887 1.00 53.46 ? 2 SER A CA 1 +ATOM 8 C C . SER A 1 2 ? -113.391 -60.299 -16.652 1.00 51.41 ? 2 SER A C 1 +ATOM 9 O O . SER A 1 2 ? -114.417 -60.087 -17.302 1.00 53.24 ? 2 SER A O 1 +ATOM 10 C CB . SER A 1 2 ? -112.256 -61.670 -18.374 1.00 51.42 ? 2 SER A CB 1 +ATOM 11 O OG . SER A 1 2 ? -111.496 -60.555 -18.813 1.00 49.34 ? 2 SER A OG 1 +ATOM 12 N N . ASN A 1 3 ? -112.953 -59.475 -15.709 1.00 46.49 ? 3 ASN A N 1 +ATOM 13 C CA . ASN A 1 3 ? -113.684 -58.260 -15.434 1.00 42.50 ? 3 ASN A CA 1 +ATOM 14 C C . ASN A 1 3 ? -113.215 -57.131 -16.345 1.00 40.83 ? 3 ASN A C 1 +ATOM 15 O O . ASN A 1 3 ? -113.740 -56.020 -16.274 1.00 42.05 ? 3 ASN A O 1 +ATOM 16 C CB . ASN A 1 3 ? -113.535 -57.884 -13.955 1.00 42.60 ? 3 ASN A CB 1 +ATOM 17 C CG . ASN A 1 3 ? -112.100 -57.909 -13.487 1.00 40.83 ? 3 ASN A CG 1 +ATOM 18 O OD1 . ASN A 1 3 ? -111.191 -58.138 -14.271 1.00 42.53 ? 3 ASN A OD1 1 +ATOM 19 N ND2 . ASN A 1 3 ? -111.890 -57.672 -12.198 1.00 40.56 ? 3 ASN A ND2 1 +ATOM 20 N N . PHE A 1 4 ? -112.245 -57.418 -17.212 1.00 37.81 ? 4 PHE A N 1 +ATOM 21 C CA . PHE A 1 4 ? -111.730 -56.400 -18.120 1.00 36.09 ? 4 PHE A CA 1 +ATOM 22 C C . PHE A 1 4 ? -112.660 -56.294 -19.327 1.00 37.03 ? 4 PHE A C 1 +ATOM 23 O O . PHE A 1 4 ? -112.350 -56.766 -20.419 1.00 38.18 ? 4 PHE A O 1 +ATOM 24 C CB . PHE A 1 4 ? -110.308 -56.747 -18.577 1.00 33.28 ? 4 PHE A CB 1 +ATOM 25 C CG . PHE A 1 4 ? -109.497 -55.549 -18.993 1.00 32.70 ? 4 PHE A CG 1 +ATOM 26 C CD1 . PHE A 1 4 ? -110.052 -54.271 -18.981 1.00 32.09 ? 4 PHE A CD1 1 +ATOM 27 C CD2 . PHE A 1 4 ? -108.169 -55.690 -19.367 1.00 31.82 ? 4 PHE A CD2 1 +ATOM 28 C CE1 . PHE A 1 4 ? -109.291 -53.156 -19.334 1.00 30.61 ? 4 PHE A CE1 1 +ATOM 29 C CE2 . PHE A 1 4 ? -107.401 -54.578 -19.722 1.00 31.16 ? 4 PHE A CE2 1 +ATOM 30 C CZ . PHE A 1 4 ? -107.962 -53.314 -19.703 1.00 29.80 ? 4 PHE A CZ 1 +ATOM 31 N N . THR A 1 5 ? -113.807 -55.661 -19.113 1.00 37.20 ? 5 THR A N 1 +ATOM 32 C CA . THR A 1 5 ? -114.808 -55.510 -20.155 1.00 37.49 ? 5 THR A CA 1 +ATOM 33 C C . THR A 1 5 ? -115.199 -54.053 -20.340 1.00 37.73 ? 5 THR A C 1 +ATOM 34 O O . THR A 1 5 ? -114.891 -53.210 -19.498 1.00 37.73 ? 5 THR A O 1 +ATOM 35 C CB . THR A 1 5 ? -116.078 -56.304 -19.802 1.00 37.20 ? 5 THR A CB 1 +ATOM 36 O OG1 . THR A 1 5 ? -116.606 -55.833 -18.554 1.00 37.49 ? 5 THR A OG1 1 +ATOM 37 C CG2 . THR A 1 5 ? -115.759 -57.772 -19.661 1.00 37.36 ? 5 THR A CG2 1 +ATOM 38 N N . GLN A 1 6 ? -115.880 -53.761 -21.443 1.00 37.78 ? 6 GLN A N 1 +ATOM 39 C CA . GLN A 1 6 ? -116.322 -52.401 -21.699 1.00 37.66 ? 6 GLN A CA 1 +ATOM 40 C C . GLN A 1 6 ? -117.536 -52.108 -20.829 1.00 35.42 ? 6 GLN A C 1 +ATOM 41 O O . GLN A 1 6 ? -118.254 -53.018 -20.416 1.00 35.50 ? 6 GLN A O 1 +ATOM 42 C CB . GLN A 1 6 ? -116.689 -52.221 -23.166 1.00 39.19 ? 6 GLN A CB 1 +ATOM 43 C CG . GLN A 1 6 ? -117.795 -53.129 -23.634 1.00 45.26 ? 6 GLN A CG 1 +ATOM 44 C CD . GLN A 1 6 ? -118.464 -52.611 -24.898 1.00 49.64 ? 6 GLN A CD 1 +ATOM 45 O OE1 . GLN A 1 6 ? -117.815 -52.446 -25.945 1.00 51.48 ? 6 GLN A OE1 1 +ATOM 46 N NE2 . GLN A 1 6 ? -119.768 -52.344 -24.808 1.00 50.56 ? 6 GLN A NE2 1 +ATOM 47 N N . PHE A 1 7 ? -117.753 -50.835 -20.537 1.00 33.25 ? 7 PHE A N 1 +ATOM 48 C CA . PHE A 1 7 ? -118.881 -50.434 -19.722 1.00 32.25 ? 7 PHE A CA 1 +ATOM 49 C C . PHE A 1 7 ? -119.294 -49.019 -20.080 1.00 32.55 ? 7 PHE A C 1 +ATOM 50 O O . PHE A 1 7 ? -118.568 -48.303 -20.767 1.00 31.66 ? 7 PHE A O 1 +ATOM 51 C CB . PHE A 1 7 ? -118.535 -50.551 -18.224 1.00 30.92 ? 7 PHE A CB 1 +ATOM 52 C CG . PHE A 1 7 ? -117.435 -49.625 -17.758 1.00 31.65 ? 7 PHE A CG 1 +ATOM 53 C CD1 . PHE A 1 7 ? -116.094 -49.960 -17.941 1.00 31.15 ? 7 PHE A CD1 1 +ATOM 54 C CD2 . PHE A 1 7 ? -117.739 -48.429 -17.107 1.00 30.66 ? 7 PHE A CD2 1 +ATOM 55 C CE1 . PHE A 1 7 ? -115.076 -49.123 -17.480 1.00 30.01 ? 7 PHE A CE1 1 +ATOM 56 C CE2 . PHE A 1 7 ? -116.724 -47.585 -16.640 1.00 29.73 ? 7 PHE A CE2 1 +ATOM 57 C CZ . PHE A 1 7 ? -115.393 -47.936 -16.829 1.00 29.83 ? 7 PHE A CZ 1 +ATOM 58 N N . VAL A 1 8 ? -120.478 -48.630 -19.632 1.00 31.85 ? 8 VAL A N 1 +ATOM 59 C CA . VAL A 1 8 ? -120.987 -47.298 -19.898 1.00 32.26 ? 8 VAL A CA 1 +ATOM 60 C C . VAL A 1 8 ? -120.475 -46.354 -18.813 1.00 33.14 ? 8 VAL A C 1 +ATOM 61 O O . VAL A 1 8 ? -120.837 -46.483 -17.648 1.00 33.98 ? 8 VAL A O 1 +ATOM 62 C CB . VAL A 1 8 ? -122.534 -47.300 -19.912 1.00 32.05 ? 8 VAL A CB 1 +ATOM 63 C CG1 . VAL A 1 8 ? -123.062 -45.902 -20.138 1.00 31.24 ? 8 VAL A CG1 1 +ATOM 64 C CG2 . VAL A 1 8 ? -123.032 -48.222 -20.995 1.00 28.21 ? 8 VAL A CG2 1 +ATOM 65 N N . LEU A 1 9 ? -119.615 -45.417 -19.199 1.00 32.61 ? 9 LEU A N 1 +ATOM 66 C CA . LEU A 1 9 ? -119.065 -44.458 -18.256 1.00 33.12 ? 9 LEU A CA 1 +ATOM 67 C C . LEU A 1 9 ? -120.094 -43.364 -17.980 1.00 34.57 ? 9 LEU A C 1 +ATOM 68 O O . LEU A 1 9 ? -120.348 -43.019 -16.829 1.00 35.26 ? 9 LEU A O 1 +ATOM 69 C CB . LEU A 1 9 ? -117.779 -43.841 -18.810 1.00 31.09 ? 9 LEU A CB 1 +ATOM 70 C CG . LEU A 1 9 ? -117.081 -42.804 -17.928 1.00 29.80 ? 9 LEU A CG 1 +ATOM 71 C CD1 . LEU A 1 9 ? -116.561 -43.460 -16.667 1.00 26.19 ? 9 LEU A CD1 1 +ATOM 72 C CD2 . LEU A 1 9 ? -115.950 -42.176 -18.702 1.00 28.18 ? 9 LEU A CD2 1 +ATOM 73 N N . VAL A 1 10 ? -120.682 -42.822 -19.042 1.00 35.38 ? 10 VAL A N 1 +ATOM 74 C CA . VAL A 1 10 ? -121.693 -41.785 -18.909 1.00 36.98 ? 10 VAL A CA 1 +ATOM 75 C C . VAL A 1 10 ? -123.005 -42.311 -19.464 1.00 39.88 ? 10 VAL A C 1 +ATOM 76 O O . VAL A 1 10 ? -123.113 -42.626 -20.648 1.00 39.91 ? 10 VAL A O 1 +ATOM 77 C CB . VAL A 1 10 ? -121.317 -40.506 -19.676 1.00 34.79 ? 10 VAL A CB 1 +ATOM 78 C CG1 . VAL A 1 10 ? -122.381 -39.450 -19.454 1.00 33.15 ? 10 VAL A CG1 1 +ATOM 79 C CG2 . VAL A 1 10 ? -119.966 -40.000 -19.216 1.00 34.12 ? 10 VAL A CG2 1 +ATOM 80 N N . ASP A 1 11 ? -124.002 -42.403 -18.595 1.00 43.74 ? 11 ASP A N 1 +ATOM 81 C CA . ASP A 1 11 ? -125.312 -42.898 -18.981 1.00 47.63 ? 11 ASP A CA 1 +ATOM 82 C C . ASP A 1 11 ? -126.304 -41.778 -19.296 1.00 50.85 ? 11 ASP A C 1 +ATOM 83 O O . ASP A 1 11 ? -126.716 -41.032 -18.406 1.00 51.04 ? 11 ASP A O 1 +ATOM 84 C CB . ASP A 1 11 ? -125.869 -43.774 -17.863 1.00 48.30 ? 11 ASP A CB 1 +ATOM 85 C CG . ASP A 1 11 ? -127.244 -44.328 -18.182 1.00 50.84 ? 11 ASP A CG 1 +ATOM 86 O OD1 . ASP A 1 11 ? -127.746 -44.076 -19.308 1.00 52.44 ? 11 ASP A OD1 1 +ATOM 87 O OD2 . ASP A 1 11 ? -127.820 -45.018 -17.305 1.00 51.69 ? 11 ASP A OD2 1 +ATOM 88 N N . ASN A 1 12 ? -126.672 -41.661 -20.571 1.00 54.96 ? 12 ASN A N 1 +ATOM 89 C CA . ASN A 1 12 ? -127.644 -40.657 -21.016 1.00 59.08 ? 12 ASN A CA 1 +ATOM 90 C C . ASN A 1 12 ? -128.842 -41.397 -21.605 1.00 62.03 ? 12 ASN A C 1 +ATOM 91 O O . ASN A 1 12 ? -129.308 -41.070 -22.709 1.00 62.35 ? 12 ASN A O 1 +ATOM 92 C CB . ASN A 1 12 ? -127.051 -39.752 -22.097 1.00 58.92 ? 12 ASN A CB 1 +ATOM 93 C CG . ASN A 1 12 ? -125.940 -38.869 -21.575 1.00 60.44 ? 12 ASN A CG 1 +ATOM 94 O OD1 . ASN A 1 12 ? -126.074 -38.245 -20.505 1.00 61.67 ? 12 ASN A OD1 1 +ATOM 95 N ND2 . ASN A 1 12 ? -124.834 -38.789 -22.330 1.00 59.26 ? 12 ASN A ND2 1 +ATOM 96 N N . GLY A 1 13 ? -129.321 -42.406 -20.876 1.00 64.79 ? 13 GLY A N 1 +ATOM 97 C CA . GLY A 1 13 ? -130.451 -43.187 -21.346 1.00 68.35 ? 13 GLY A CA 1 +ATOM 98 C C . GLY A 1 13 ? -130.253 -43.656 -22.782 1.00 71.25 ? 13 GLY A C 1 +ATOM 99 O O . GLY A 1 13 ? -130.785 -43.044 -23.730 1.00 72.90 ? 13 GLY A O 1 +ATOM 100 N N . GLY A 1 14 ? -129.464 -44.725 -22.940 1.00 72.61 ? 14 GLY A N 1 +ATOM 101 C CA . GLY A 1 14 ? -129.185 -45.318 -24.247 1.00 73.55 ? 14 GLY A CA 1 +ATOM 102 C C . GLY A 1 14 ? -128.919 -44.466 -25.495 1.00 74.43 ? 14 GLY A C 1 +ATOM 103 O O . GLY A 1 14 ? -128.669 -45.036 -26.570 1.00 74.94 ? 14 GLY A O 1 +ATOM 104 N N . THR A 1 15 ? -128.963 -43.134 -25.398 1.00 73.98 ? 15 THR A N 1 +ATOM 105 C CA . THR A 1 15 ? -128.720 -42.303 -26.586 1.00 74.25 ? 15 THR A CA 1 +ATOM 106 C C . THR A 1 15 ? -127.751 -41.157 -26.278 1.00 72.82 ? 15 THR A C 1 +ATOM 107 O O . THR A 1 15 ? -128.092 -40.205 -25.551 1.00 73.29 ? 15 THR A O 1 +ATOM 108 C CB . THR A 1 15 ? -130.053 -41.720 -27.153 1.00 75.96 ? 15 THR A CB 1 +ATOM 109 O OG1 . THR A 1 15 ? -130.682 -40.883 -26.159 1.00 77.05 ? 15 THR A OG1 1 +ATOM 110 C CG2 . THR A 1 15 ? -131.012 -42.866 -27.557 1.00 75.74 ? 15 THR A CG2 1 +ATOM 111 N N . GLY A 1 16 ? -126.548 -41.240 -26.851 1.00 70.16 ? 16 GLY A N 1 +ATOM 112 C CA . GLY A 1 16 ? -125.538 -40.228 -26.584 1.00 65.56 ? 16 GLY A CA 1 +ATOM 113 C C . GLY A 1 16 ? -124.716 -40.717 -25.390 1.00 62.38 ? 16 GLY A C 1 +ATOM 114 O O . GLY A 1 16 ? -123.973 -39.950 -24.758 1.00 61.74 ? 16 GLY A O 1 +ATOM 115 N N . ASP A 1 17 ? -124.874 -42.005 -25.080 1.00 57.80 ? 17 ASP A N 1 +ATOM 116 C CA . ASP A 1 17 ? -124.158 -42.647 -23.983 1.00 53.66 ? 17 ASP A CA 1 +ATOM 117 C C . ASP A 1 17 ? -122.678 -42.706 -24.315 1.00 50.46 ? 17 ASP A C 1 +ATOM 118 O O . ASP A 1 17 ? -122.307 -42.827 -25.481 1.00 51.30 ? 17 ASP A O 1 +ATOM 119 C CB . ASP A 1 17 ? -124.676 -44.072 -23.773 1.00 53.00 ? 17 ASP A CB 1 +ATOM 120 C CG . ASP A 1 17 ? -126.035 -44.106 -23.105 1.00 54.46 ? 17 ASP A CG 1 +ATOM 121 O OD1 . ASP A 1 17 ? -126.721 -43.054 -23.095 1.00 55.61 ? 17 ASP A OD1 1 +ATOM 122 O OD2 . ASP A 1 17 ? -126.420 -45.190 -22.598 1.00 54.88 ? 17 ASP A OD2 1 +ATOM 123 N N . VAL A 1 18 ? -121.833 -42.609 -23.294 1.00 46.06 ? 18 VAL A N 1 +ATOM 124 C CA . VAL A 1 18 ? -120.396 -42.700 -23.506 1.00 41.44 ? 18 VAL A CA 1 +ATOM 125 C C . VAL A 1 18 ? -119.922 -44.037 -22.954 1.00 40.84 ? 18 VAL A C 1 +ATOM 126 O O . VAL A 1 18 ? -119.879 -44.230 -21.738 1.00 39.99 ? 18 VAL A O 1 +ATOM 127 C CB . VAL A 1 18 ? -119.628 -41.568 -22.788 1.00 39.37 ? 18 VAL A CB 1 +ATOM 128 C CG1 . VAL A 1 18 ? -118.129 -41.775 -22.947 1.00 35.35 ? 18 VAL A CG1 1 +ATOM 129 C CG2 . VAL A 1 18 ? -120.036 -40.224 -23.350 1.00 36.95 ? 18 VAL A CG2 1 +ATOM 130 N N . THR A 1 19 ? -119.612 -44.976 -23.841 1.00 39.30 ? 19 THR A N 1 +ATOM 131 C CA . THR A 1 19 ? -119.109 -46.265 -23.392 1.00 38.86 ? 19 THR A CA 1 +ATOM 132 C C . THR A 1 19 ? -117.594 -46.222 -23.550 1.00 37.51 ? 19 THR A C 1 +ATOM 133 O O . THR A 1 19 ? -117.047 -45.513 -24.397 1.00 37.77 ? 19 THR A O 1 +ATOM 134 C CB . THR A 1 19 ? -119.682 -47.446 -24.192 1.00 38.08 ? 19 THR A CB 1 +ATOM 135 O OG1 . THR A 1 19 ? -119.304 -47.317 -25.560 1.00 42.96 ? 19 THR A OG1 1 +ATOM 136 C CG2 . THR A 1 19 ? -121.191 -47.482 -24.090 1.00 38.29 ? 19 THR A CG2 1 +ATOM 137 N N . VAL A 1 20 ? -116.922 -46.994 -22.717 1.00 35.97 ? 20 VAL A N 1 +ATOM 138 C CA . VAL A 1 20 ? -115.481 -47.019 -22.700 1.00 33.54 ? 20 VAL A CA 1 +ATOM 139 C C . VAL A 1 20 ? -115.061 -48.490 -22.827 1.00 32.61 ? 20 VAL A C 1 +ATOM 140 O O . VAL A 1 20 ? -115.683 -49.366 -22.229 1.00 32.71 ? 20 VAL A O 1 +ATOM 141 C CB . VAL A 1 20 ? -115.049 -46.318 -21.386 1.00 33.41 ? 20 VAL A CB 1 +ATOM 142 C CG1 . VAL A 1 20 ? -114.338 -47.255 -20.473 1.00 35.03 ? 20 VAL A CG1 1 +ATOM 143 C CG2 . VAL A 1 20 ? -114.257 -45.082 -21.705 1.00 32.57 ? 20 VAL A CG2 1 +ATOM 144 N N . ALA A 1 21 ? -114.036 -48.768 -23.629 1.00 31.74 ? 21 ALA A N 1 +ATOM 145 C CA . ALA A 1 21 ? -113.597 -50.152 -23.846 1.00 30.81 ? 21 ALA A CA 1 +ATOM 146 C C . ALA A 1 21 ? -112.137 -50.420 -23.528 1.00 30.85 ? 21 ALA A C 1 +ATOM 147 O O . ALA A 1 21 ? -111.301 -49.524 -23.602 1.00 32.29 ? 21 ALA A O 1 +ATOM 148 C CB . ALA A 1 21 ? -113.880 -50.560 -25.285 1.00 26.81 ? 21 ALA A CB 1 +ATOM 149 N N . PRO A 1 22 ? -111.809 -51.675 -23.169 1.00 31.12 ? 22 PRO A N 1 +ATOM 150 C CA . PRO A 1 22 ? -110.435 -52.069 -22.839 1.00 30.88 ? 22 PRO A CA 1 +ATOM 151 C C . PRO A 1 22 ? -109.508 -51.682 -23.982 1.00 31.88 ? 22 PRO A C 1 +ATOM 152 O O . PRO A 1 22 ? -109.786 -51.983 -25.135 1.00 33.39 ? 22 PRO A O 1 +ATOM 153 C CB . PRO A 1 22 ? -110.545 -53.579 -22.673 1.00 29.39 ? 22 PRO A CB 1 +ATOM 154 C CG . PRO A 1 22 ? -111.919 -53.750 -22.137 1.00 29.80 ? 22 PRO A CG 1 +ATOM 155 C CD . PRO A 1 22 ? -112.732 -52.809 -22.991 1.00 29.80 ? 22 PRO A CD 1 +ATOM 156 N N . SER A 1 23 ? -108.407 -51.018 -23.668 1.00 32.56 ? 23 SER A N 1 +ATOM 157 C CA . SER A 1 23 ? -107.497 -50.605 -24.716 1.00 33.21 ? 23 SER A CA 1 +ATOM 158 C C . SER A 1 23 ? -106.028 -50.881 -24.440 1.00 33.88 ? 23 SER A C 1 +ATOM 159 O O . SER A 1 23 ? -105.211 -50.793 -25.347 1.00 35.38 ? 23 SER A O 1 +ATOM 160 C CB . SER A 1 23 ? -107.693 -49.121 -25.009 1.00 34.12 ? 23 SER A CB 1 +ATOM 161 O OG . SER A 1 23 ? -107.464 -48.352 -23.847 1.00 36.42 ? 23 SER A OG 1 +ATOM 162 N N . ASN A 1 24 ? -105.675 -51.214 -23.208 1.00 34.30 ? 24 ASN A N 1 +ATOM 163 C CA . ASN A 1 24 ? -104.277 -51.481 -22.912 1.00 34.60 ? 24 ASN A CA 1 +ATOM 164 C C . ASN A 1 24 ? -104.097 -52.026 -21.507 1.00 36.48 ? 24 ASN A C 1 +ATOM 165 O O . ASN A 1 24 ? -104.844 -51.674 -20.605 1.00 37.39 ? 24 ASN A O 1 +ATOM 166 C CB . ASN A 1 24 ? -103.467 -50.198 -23.054 1.00 33.81 ? 24 ASN A CB 1 +ATOM 167 C CG . ASN A 1 24 ? -102.001 -50.461 -23.311 1.00 35.03 ? 24 ASN A CG 1 +ATOM 168 O OD1 . ASN A 1 24 ? -101.504 -51.568 -23.092 1.00 36.34 ? 24 ASN A OD1 1 +ATOM 169 N ND2 . ASN A 1 24 ? -101.294 -49.440 -23.770 1.00 33.84 ? 24 ASN A ND2 1 +ATOM 170 N N . PHE A 1 25 ? -103.102 -52.887 -21.322 1.00 37.52 ? 25 PHE A N 1 +ATOM 171 C CA . PHE A 1 25 ? -102.833 -53.449 -20.005 1.00 38.86 ? 25 PHE A CA 1 +ATOM 172 C C . PHE A 1 25 ? -101.329 -53.491 -19.775 1.00 39.98 ? 25 PHE A C 1 +ATOM 173 O O . PHE A 1 25 ? -100.841 -54.204 -18.900 1.00 42.14 ? 25 PHE A O 1 +ATOM 174 C CB . PHE A 1 25 ? -103.421 -54.862 -19.885 1.00 38.32 ? 25 PHE A CB 1 +ATOM 175 C CG . PHE A 1 25 ? -103.716 -55.286 -18.466 1.00 38.11 ? 25 PHE A CG 1 +ATOM 176 C CD1 . PHE A 1 25 ? -103.349 -54.483 -17.385 1.00 38.44 ? 25 PHE A CD1 1 +ATOM 177 C CD2 . PHE A 1 25 ? -104.366 -56.486 -18.210 1.00 38.64 ? 25 PHE A CD2 1 +ATOM 178 C CE1 . PHE A 1 25 ? -103.628 -54.872 -16.068 1.00 38.96 ? 25 PHE A CE1 1 +ATOM 179 C CE2 . PHE A 1 25 ? -104.651 -56.885 -16.894 1.00 39.15 ? 25 PHE A CE2 1 +ATOM 180 C CZ . PHE A 1 25 ? -104.279 -56.074 -15.824 1.00 39.50 ? 25 PHE A CZ 1 +ATOM 181 N N . ALA A 1 26 ? -100.594 -52.713 -20.561 1.00 40.21 ? 26 ALA A N 1 +ATOM 182 C CA . ALA A 1 26 ? -99.148 -52.675 -20.435 1.00 40.60 ? 26 ALA A CA 1 +ATOM 183 C C . ALA A 1 26 ? -98.721 -52.133 -19.069 1.00 40.69 ? 26 ALA A C 1 +ATOM 184 O O . ALA A 1 26 ? -99.327 -51.207 -18.539 1.00 39.62 ? 26 ALA A O 1 +ATOM 185 C CB . ALA A 1 26 ? -98.555 -51.827 -21.546 1.00 40.26 ? 26 ALA A CB 1 +ATOM 186 N N . ASN A 1 27 ? -97.678 -52.739 -18.509 1.00 41.44 ? 27 ASN A N 1 +ATOM 187 C CA . ASN A 1 27 ? -97.137 -52.343 -17.217 1.00 42.51 ? 27 ASN A CA 1 +ATOM 188 C C . ASN A 1 27 ? -98.105 -52.445 -16.053 1.00 42.49 ? 27 ASN A C 1 +ATOM 189 O O . ASN A 1 27 ? -98.005 -51.676 -15.095 1.00 42.83 ? 27 ASN A O 1 +ATOM 190 C CB . ASN A 1 27 ? -96.593 -50.922 -17.297 1.00 45.71 ? 27 ASN A CB 1 +ATOM 191 C CG . ASN A 1 27 ? -95.508 -50.784 -18.343 1.00 50.03 ? 27 ASN A CG 1 +ATOM 192 O OD1 . ASN A 1 27 ? -94.507 -51.514 -18.314 1.00 51.68 ? 27 ASN A OD1 1 +ATOM 193 N ND2 . ASN A 1 27 ? -95.698 -49.852 -19.283 1.00 50.86 ? 27 ASN A ND2 1 +ATOM 194 N N . GLY A 1 28 ? -99.040 -53.388 -16.132 1.00 41.00 ? 28 GLY A N 1 +ATOM 195 C CA . GLY A 1 28 ? -99.992 -53.565 -15.053 1.00 38.66 ? 28 GLY A CA 1 +ATOM 196 C C . GLY A 1 28 ? -101.014 -52.459 -14.847 1.00 37.06 ? 28 GLY A C 1 +ATOM 197 O O . GLY A 1 28 ? -101.666 -52.407 -13.807 1.00 37.67 ? 28 GLY A O 1 +ATOM 198 N N . VAL A 1 29 ? -101.155 -51.566 -15.816 1.00 34.48 ? 29 VAL A N 1 +ATOM 199 C CA . VAL A 1 29 ? -102.140 -50.500 -15.709 1.00 31.38 ? 29 VAL A CA 1 +ATOM 200 C C . VAL A 1 29 ? -103.238 -50.788 -16.724 1.00 31.65 ? 29 VAL A C 1 +ATOM 201 O O . VAL A 1 29 ? -103.001 -50.759 -17.928 1.00 32.45 ? 29 VAL A O 1 +ATOM 202 C CB . VAL A 1 29 ? -101.524 -49.119 -16.005 1.00 29.25 ? 29 VAL A CB 1 +ATOM 203 C CG1 . VAL A 1 29 ? -102.589 -48.052 -15.963 1.00 26.80 ? 29 VAL A CG1 1 +ATOM 204 C CG2 . VAL A 1 29 ? -100.458 -48.813 -14.993 1.00 26.13 ? 29 VAL A CG2 1 +ATOM 205 N N . ALA A 1 30 ? -104.433 -51.101 -16.239 1.00 30.13 ? 30 ALA A N 1 +ATOM 206 C CA . ALA A 1 30 ? -105.540 -51.384 -17.137 1.00 30.41 ? 30 ALA A CA 1 +ATOM 207 C C . ALA A 1 30 ? -106.088 -50.061 -17.657 1.00 31.16 ? 30 ALA A C 1 +ATOM 208 O O . ALA A 1 30 ? -106.316 -49.128 -16.892 1.00 31.57 ? 30 ALA A O 1 +ATOM 209 C CB . ALA A 1 30 ? -106.622 -52.167 -16.410 1.00 28.18 ? 30 ALA A CB 1 +ATOM 210 N N . GLU A 1 31 ? -106.299 -49.985 -18.965 1.00 31.62 ? 31 GLU A N 1 +ATOM 211 C CA . GLU A 1 31 ? -106.802 -48.773 -19.587 1.00 31.13 ? 31 GLU A CA 1 +ATOM 212 C C . GLU A 1 31 ? -108.065 -48.995 -20.402 1.00 31.28 ? 31 GLU A C 1 +ATOM 213 O O . GLU A 1 31 ? -108.262 -50.043 -20.991 1.00 32.63 ? 31 GLU A O 1 +ATOM 214 C CB . GLU A 1 31 ? -105.733 -48.180 -20.492 1.00 30.82 ? 31 GLU A CB 1 +ATOM 215 C CG . GLU A 1 31 ? -106.127 -46.855 -21.088 1.00 33.83 ? 31 GLU A CG 1 +ATOM 216 C CD . GLU A 1 31 ? -105.248 -46.456 -22.244 1.00 35.72 ? 31 GLU A CD 1 +ATOM 217 O OE1 . GLU A 1 31 ? -105.262 -47.168 -23.270 1.00 36.51 ? 31 GLU A OE1 1 +ATOM 218 O OE2 . GLU A 1 31 ? -104.544 -45.434 -22.129 1.00 36.64 ? 31 GLU A OE2 1 +ATOM 219 N N . TRP A 1 32 ? -108.919 -47.983 -20.427 1.00 31.34 ? 32 TRP A N 1 +ATOM 220 C CA . TRP A 1 32 ? -110.169 -48.013 -21.178 1.00 31.14 ? 32 TRP A CA 1 +ATOM 221 C C . TRP A 1 32 ? -110.270 -46.661 -21.877 1.00 32.25 ? 32 TRP A C 1 +ATOM 222 O O . TRP A 1 32 ? -109.922 -45.643 -21.287 1.00 32.78 ? 32 TRP A O 1 +ATOM 223 C CB . TRP A 1 32 ? -111.367 -48.116 -20.239 1.00 29.81 ? 32 TRP A CB 1 +ATOM 224 C CG . TRP A 1 32 ? -111.649 -49.430 -19.592 1.00 29.47 ? 32 TRP A CG 1 +ATOM 225 C CD1 . TRP A 1 32 ? -112.554 -50.363 -20.004 1.00 28.67 ? 32 TRP A CD1 1 +ATOM 226 C CD2 . TRP A 1 32 ? -111.134 -49.894 -18.341 1.00 28.45 ? 32 TRP A CD2 1 +ATOM 227 N NE1 . TRP A 1 32 ? -112.647 -51.373 -19.081 1.00 28.67 ? 32 TRP A NE1 1 +ATOM 228 C CE2 . TRP A 1 32 ? -111.786 -51.114 -18.048 1.00 27.21 ? 32 TRP A CE2 1 +ATOM 229 C CE3 . TRP A 1 32 ? -110.190 -49.398 -17.433 1.00 26.49 ? 32 TRP A CE3 1 +ATOM 230 C CZ2 . TRP A 1 32 ? -111.526 -51.840 -16.888 1.00 26.35 ? 32 TRP A CZ2 1 +ATOM 231 C CZ3 . TRP A 1 32 ? -109.931 -50.121 -16.280 1.00 26.84 ? 32 TRP A CZ3 1 +ATOM 232 C CH2 . TRP A 1 32 ? -110.599 -51.331 -16.018 1.00 26.89 ? 32 TRP A CH2 1 +ATOM 233 N N . ILE A 1 33 ? -110.734 -46.637 -23.120 1.00 32.39 ? 33 ILE A N 1 +ATOM 234 C CA . ILE A 1 33 ? -110.918 -45.365 -23.814 1.00 33.43 ? 33 ILE A CA 1 +ATOM 235 C C . ILE A 1 33 ? -112.208 -45.434 -24.618 1.00 34.86 ? 33 ILE A C 1 +ATOM 236 O O . ILE A 1 33 ? -112.730 -46.520 -24.869 1.00 34.81 ? 33 ILE A O 1 +ATOM 237 C CB . ILE A 1 33 ? -109.763 -45.018 -24.782 1.00 32.28 ? 33 ILE A CB 1 +ATOM 238 C CG1 . ILE A 1 33 ? -109.693 -46.049 -25.906 1.00 33.21 ? 33 ILE A CG1 1 +ATOM 239 C CG2 . ILE A 1 33 ? -108.458 -44.913 -24.024 1.00 31.72 ? 33 ILE A CG2 1 +ATOM 240 C CD1 . ILE A 1 33 ? -108.706 -45.695 -26.986 1.00 32.21 ? 33 ILE A CD1 1 +ATOM 241 N N . SER A 1 34 ? -112.733 -44.274 -25.002 1.00 35.78 ? 34 SER A N 1 +ATOM 242 C CA . SER A 1 34 ? -113.954 -44.224 -25.796 1.00 36.93 ? 34 SER A CA 1 +ATOM 243 C C . SER A 1 34 ? -113.561 -44.258 -27.275 1.00 37.93 ? 34 SER A C 1 +ATOM 244 O O . SER A 1 34 ? -112.393 -44.045 -27.615 1.00 37.78 ? 34 SER A O 1 +ATOM 245 C CB . SER A 1 34 ? -114.735 -42.951 -25.474 1.00 35.53 ? 34 SER A CB 1 +ATOM 246 O OG . SER A 1 34 ? -113.911 -41.806 -25.576 1.00 34.11 ? 34 SER A OG 1 +ATOM 247 N N . SER A 1 35 ? -114.524 -44.540 -28.151 1.00 39.37 ? 35 SER A N 1 +ATOM 248 C CA . SER A 1 35 ? -114.251 -44.595 -29.588 1.00 41.40 ? 35 SER A CA 1 +ATOM 249 C C . SER A 1 35 ? -114.072 -43.202 -30.156 1.00 42.09 ? 35 SER A C 1 +ATOM 250 O O . SER A 1 35 ? -114.982 -42.646 -30.764 1.00 44.30 ? 35 SER A O 1 +ATOM 251 C CB . SER A 1 35 ? -115.391 -45.284 -30.325 1.00 41.58 ? 35 SER A CB 1 +ATOM 252 O OG . SER A 1 35 ? -115.507 -46.622 -29.897 1.00 48.85 ? 35 SER A OG 1 +ATOM 253 N N . ASN A 1 36 ? -112.888 -42.644 -29.959 1.00 41.70 ? 36 ASN A N 1 +ATOM 254 C CA . ASN A 1 36 ? -112.575 -41.311 -30.435 1.00 41.83 ? 36 ASN A CA 1 +ATOM 255 C C . ASN A 1 36 ? -111.123 -41.307 -30.819 1.00 42.15 ? 36 ASN A C 1 +ATOM 256 O O . ASN A 1 36 ? -110.434 -42.320 -30.683 1.00 43.32 ? 36 ASN A O 1 +ATOM 257 C CB . ASN A 1 36 ? -112.768 -40.296 -29.316 1.00 43.13 ? 36 ASN A CB 1 +ATOM 258 C CG . ASN A 1 36 ? -114.208 -40.065 -28.996 1.00 45.66 ? 36 ASN A CG 1 +ATOM 259 O OD1 . ASN A 1 36 ? -114.912 -39.415 -29.763 1.00 48.61 ? 36 ASN A OD1 1 +ATOM 260 N ND2 . ASN A 1 36 ? -114.673 -40.602 -27.867 1.00 46.18 ? 36 ASN A ND2 1 +ATOM 261 N N . SER A 1 37 ? -110.657 -40.168 -31.307 1.00 41.19 ? 37 SER A N 1 +ATOM 262 C CA . SER A 1 37 ? -109.260 -40.057 -31.627 1.00 40.45 ? 37 SER A CA 1 +ATOM 263 C C . SER A 1 37 ? -108.659 -39.975 -30.231 1.00 40.28 ? 37 SER A C 1 +ATOM 264 O O . SER A 1 37 ? -109.288 -39.488 -29.295 1.00 39.13 ? 37 SER A O 1 +ATOM 265 C CB . SER A 1 37 ? -108.971 -38.784 -32.423 1.00 40.38 ? 37 SER A CB 1 +ATOM 266 O OG . SER A 1 37 ? -109.270 -37.624 -31.672 1.00 41.20 ? 37 SER A OG 1 +ATOM 267 N N . ARG A 1 38 ? -107.449 -40.480 -30.087 1.00 40.54 ? 38 ARG A N 1 +ATOM 268 C CA . ARG A 1 38 ? -106.761 -40.474 -28.814 1.00 40.37 ? 38 ARG A CA 1 +ATOM 269 C C . ARG A 1 38 ? -106.751 -39.068 -28.184 1.00 40.25 ? 38 ARG A C 1 +ATOM 270 O O . ARG A 1 38 ? -106.667 -38.922 -26.966 1.00 41.09 ? 38 ARG A O 1 +ATOM 271 C CB . ARG A 1 38 ? -105.341 -40.972 -29.049 1.00 41.40 ? 38 ARG A CB 1 +ATOM 272 C CG . ARG A 1 38 ? -104.750 -41.750 -27.916 1.00 42.61 ? 38 ARG A CG 1 +ATOM 273 C CD . ARG A 1 38 ? -105.233 -43.183 -27.822 1.00 39.46 ? 38 ARG A CD 1 +ATOM 274 N NE . ARG A 1 38 ? -104.814 -43.672 -26.516 1.00 43.11 ? 38 ARG A NE 1 +ATOM 275 C CZ . ARG A 1 38 ? -104.945 -44.910 -26.066 1.00 43.34 ? 38 ARG A CZ 1 +ATOM 276 N NH1 . ARG A 1 38 ? -105.490 -45.857 -26.812 1.00 44.77 ? 38 ARG A NH1 1 +ATOM 277 N NH2 . ARG A 1 38 ? -104.542 -45.192 -24.839 1.00 46.03 ? 38 ARG A NH2 1 +ATOM 278 N N . SER A 1 39 ? -106.850 -38.034 -29.011 1.00 39.82 ? 39 SER A N 1 +ATOM 279 C CA . SER A 1 39 ? -106.838 -36.661 -28.517 1.00 39.30 ? 39 SER A CA 1 +ATOM 280 C C . SER A 1 39 ? -108.177 -36.187 -27.937 1.00 39.06 ? 39 SER A C 1 +ATOM 281 O O . SER A 1 39 ? -108.211 -35.221 -27.176 1.00 38.95 ? 39 SER A O 1 +ATOM 282 C CB . SER A 1 39 ? -106.408 -35.702 -29.631 1.00 39.34 ? 39 SER A CB 1 +ATOM 283 O OG . SER A 1 39 ? -107.385 -35.638 -30.655 1.00 39.63 ? 39 SER A OG 1 +ATOM 284 N N . GLN A 1 40 ? -109.272 -36.857 -28.288 1.00 37.91 ? 40 GLN A N 1 +ATOM 285 C CA . GLN A 1 40 ? -110.589 -36.470 -27.785 1.00 38.16 ? 40 GLN A CA 1 +ATOM 286 C C . GLN A 1 40 ? -111.275 -37.551 -26.955 1.00 38.01 ? 40 GLN A C 1 +ATOM 287 O O . GLN A 1 40 ? -112.467 -37.443 -26.657 1.00 39.08 ? 40 GLN A O 1 +ATOM 288 C CB . GLN A 1 40 ? -111.532 -36.138 -28.940 1.00 38.20 ? 40 GLN A CB 1 +ATOM 289 C CG . GLN A 1 40 ? -111.089 -35.042 -29.870 1.00 40.61 ? 40 GLN A CG 1 +ATOM 290 C CD . GLN A 1 40 ? -112.217 -34.617 -30.794 1.00 41.67 ? 40 GLN A CD 1 +ATOM 291 O OE1 . GLN A 1 40 ? -112.932 -35.455 -31.348 1.00 40.27 ? 40 GLN A OE1 1 +ATOM 292 N NE2 . GLN A 1 40 ? -112.378 -33.309 -30.966 1.00 42.99 ? 40 GLN A NE2 1 +ATOM 293 N N . ALA A 1 41 ? -110.540 -38.584 -26.571 1.00 36.86 ? 41 ALA A N 1 +ATOM 294 C CA . ALA A 1 41 ? -111.148 -39.688 -25.846 1.00 34.74 ? 41 ALA A CA 1 +ATOM 295 C C . ALA A 1 41 ? -111.236 -39.597 -24.336 1.00 33.75 ? 41 ALA A C 1 +ATOM 296 O O . ALA A 1 41 ? -110.408 -38.963 -23.686 1.00 32.74 ? 41 ALA A O 1 +ATOM 297 C CB . ALA A 1 41 ? -110.446 -40.987 -26.228 1.00 33.04 ? 41 ALA A CB 1 +ATOM 298 N N . TYR A 1 42 ? -112.275 -40.231 -23.800 1.00 32.82 ? 42 TYR A N 1 +ATOM 299 C CA . TYR A 1 42 ? -112.465 -40.333 -22.363 1.00 32.70 ? 42 TYR A CA 1 +ATOM 300 C C . TYR A 1 42 ? -111.450 -41.406 -22.002 1.00 32.45 ? 42 TYR A C 1 +ATOM 301 O O . TYR A 1 42 ? -111.194 -42.315 -22.787 1.00 32.56 ? 42 TYR A O 1 +ATOM 302 C CB . TYR A 1 42 ? -113.857 -40.839 -22.013 1.00 33.74 ? 42 TYR A CB 1 +ATOM 303 C CG . TYR A 1 42 ? -114.953 -39.811 -22.086 1.00 35.62 ? 42 TYR A CG 1 +ATOM 304 C CD1 . TYR A 1 42 ? -115.443 -39.362 -23.309 1.00 34.76 ? 42 TYR A CD1 1 +ATOM 305 C CD2 . TYR A 1 42 ? -115.539 -39.322 -20.922 1.00 36.38 ? 42 TYR A CD2 1 +ATOM 306 C CE1 . TYR A 1 42 ? -116.499 -38.453 -23.370 1.00 36.06 ? 42 TYR A CE1 1 +ATOM 307 C CE2 . TYR A 1 42 ? -116.592 -38.415 -20.969 1.00 38.06 ? 42 TYR A CE2 1 +ATOM 308 C CZ . TYR A 1 42 ? -117.068 -37.986 -22.195 1.00 38.07 ? 42 TYR A CZ 1 +ATOM 309 O OH . TYR A 1 42 ? -118.126 -37.110 -22.226 1.00 38.88 ? 42 TYR A OH 1 +ATOM 310 N N . LYS A 1 43 ? -110.887 -41.332 -20.813 1.00 32.24 ? 43 LYS A N 1 +ATOM 311 C CA . LYS A 1 43 ? -109.876 -42.291 -20.443 1.00 32.29 ? 43 LYS A CA 1 +ATOM 312 C C . LYS A 1 43 ? -110.060 -42.741 -19.005 1.00 32.14 ? 43 LYS A C 1 +ATOM 313 O O . LYS A 1 43 ? -110.318 -41.930 -18.127 1.00 32.78 ? 43 LYS A O 1 +ATOM 314 C CB . LYS A 1 43 ? -108.527 -41.618 -20.623 1.00 34.11 ? 43 LYS A CB 1 +ATOM 315 C CG . LYS A 1 43 ? -107.310 -42.494 -20.624 1.00 38.82 ? 43 LYS A CG 1 +ATOM 316 C CD . LYS A 1 43 ? -106.130 -41.568 -20.836 1.00 44.42 ? 43 LYS A CD 1 +ATOM 317 C CE . LYS A 1 43 ? -104.836 -42.292 -21.103 1.00 48.25 ? 43 LYS A CE 1 +ATOM 318 N NZ . LYS A 1 43 ? -103.758 -41.294 -21.406 1.00 51.00 ? 43 LYS A NZ 1 +ATOM 319 N N . VAL A 1 44 ? -109.938 -44.039 -18.774 1.00 31.37 ? 44 VAL A N 1 +ATOM 320 C CA . VAL A 1 44 ? -110.058 -44.588 -17.434 1.00 29.62 ? 44 VAL A CA 1 +ATOM 321 C C . VAL A 1 44 ? -108.893 -45.541 -17.237 1.00 29.89 ? 44 VAL A C 1 +ATOM 322 O O . VAL A 1 44 ? -108.598 -46.344 -18.111 1.00 30.15 ? 44 VAL A O 1 +ATOM 323 C CB . VAL A 1 44 ? -111.374 -45.378 -17.247 1.00 29.77 ? 44 VAL A CB 1 +ATOM 324 C CG1 . VAL A 1 44 ? -111.442 -45.950 -15.842 1.00 27.60 ? 44 VAL A CG1 1 +ATOM 325 C CG2 . VAL A 1 44 ? -112.565 -44.481 -17.513 1.00 26.78 ? 44 VAL A CG2 1 +ATOM 326 N N . THR A 1 45 ? -108.210 -45.431 -16.108 1.00 29.06 ? 45 THR A N 1 +ATOM 327 C CA . THR A 1 45 ? -107.106 -46.336 -15.828 1.00 29.35 ? 45 THR A CA 1 +ATOM 328 C C . THR A 1 45 ? -107.248 -46.862 -14.411 1.00 30.13 ? 45 THR A C 1 +ATOM 329 O O . THR A 1 45 ? -107.786 -46.190 -13.537 1.00 28.59 ? 45 THR A O 1 +ATOM 330 C CB . THR A 1 45 ? -105.715 -45.664 -15.989 1.00 29.82 ? 45 THR A CB 1 +ATOM 331 O OG1 . THR A 1 45 ? -105.574 -44.594 -15.051 1.00 28.84 ? 45 THR A OG1 1 +ATOM 332 C CG2 . THR A 1 45 ? -105.534 -45.143 -17.398 1.00 28.03 ? 45 THR A CG2 1 +ATOM 333 N N . CYS A 1 46 ? -106.774 -48.082 -14.200 1.00 30.88 ? 46 CYS A N 1 +ATOM 334 C CA . CYS A 1 46 ? -106.854 -48.708 -12.897 1.00 31.23 ? 46 CYS A CA 1 +ATOM 335 C C . CYS A 1 46 ? -105.668 -49.626 -12.668 1.00 31.20 ? 46 CYS A C 1 +ATOM 336 O O . CYS A 1 46 ? -105.192 -50.277 -13.588 1.00 31.37 ? 46 CYS A O 1 +ATOM 337 C CB . CYS A 1 46 ? -108.148 -49.513 -12.790 1.00 31.05 ? 46 CYS A CB 1 +ATOM 338 S SG . CYS A 1 46 ? -108.340 -50.400 -11.234 1.00 33.23 ? 46 CYS A SG 1 +ATOM 339 N N . SER A 1 47 ? -105.187 -49.664 -11.433 1.00 32.13 ? 47 SER A N 1 +ATOM 340 C CA . SER A 1 47 ? -104.077 -50.536 -11.077 1.00 33.38 ? 47 SER A CA 1 +ATOM 341 C C . SER A 1 47 ? -104.143 -50.828 -9.582 1.00 34.05 ? 47 SER A C 1 +ATOM 342 O O . SER A 1 47 ? -104.678 -50.029 -8.817 1.00 33.96 ? 47 SER A O 1 +ATOM 343 C CB . SER A 1 47 ? -102.735 -49.888 -11.439 1.00 32.33 ? 47 SER A CB 1 +ATOM 344 O OG . SER A 1 47 ? -102.422 -48.814 -10.582 1.00 32.99 ? 47 SER A OG 1 +ATOM 345 N N . VAL A 1 48 ? -103.622 -51.986 -9.179 1.00 34.10 ? 48 VAL A N 1 +ATOM 346 C CA . VAL A 1 48 ? -103.610 -52.391 -7.777 1.00 34.57 ? 48 VAL A CA 1 +ATOM 347 C C . VAL A 1 48 ? -102.205 -52.801 -7.427 1.00 36.44 ? 48 VAL A C 1 +ATOM 348 O O . VAL A 1 48 ? -101.547 -53.490 -8.198 1.00 37.64 ? 48 VAL A O 1 +ATOM 349 C CB . VAL A 1 48 ? -104.460 -53.637 -7.497 1.00 32.61 ? 48 VAL A CB 1 +ATOM 350 C CG1 . VAL A 1 48 ? -104.860 -53.660 -6.043 1.00 31.45 ? 48 VAL A CG1 1 +ATOM 351 C CG2 . VAL A 1 48 ? -105.644 -53.677 -8.392 1.00 35.62 ? 48 VAL A CG2 1 +ATOM 352 N N . ARG A 1 49 ? -101.749 -52.409 -6.250 1.00 38.47 ? 49 ARG A N 1 +ATOM 353 C CA . ARG A 1 49 ? -100.419 -52.781 -5.827 1.00 42.31 ? 49 ARG A CA 1 +ATOM 354 C C . ARG A 1 49 ? -100.469 -53.107 -4.340 1.00 43.49 ? 49 ARG A C 1 +ATOM 355 O O . ARG A 1 49 ? -101.291 -52.551 -3.616 1.00 42.01 ? 49 ARG A O 1 +ATOM 356 C CB . ARG A 1 49 ? -99.458 -51.619 -6.097 1.00 45.04 ? 49 ARG A CB 1 +ATOM 357 C CG . ARG A 1 49 ? -98.882 -50.984 -4.846 1.00 53.40 ? 49 ARG A CG 1 +ATOM 358 C CD . ARG A 1 49 ? -98.052 -49.736 -5.152 1.00 60.30 ? 49 ARG A CD 1 +ATOM 359 N NE . ARG A 1 49 ? -98.890 -48.555 -5.390 1.00 65.79 ? 49 ARG A NE 1 +ATOM 360 C CZ . ARG A 1 49 ? -98.816 -47.426 -4.677 1.00 68.19 ? 49 ARG A CZ 1 +ATOM 361 N NH1 . ARG A 1 49 ? -97.932 -47.321 -3.671 1.00 69.00 ? 49 ARG A NH1 1 +ATOM 362 N NH2 . ARG A 1 49 ? -99.622 -46.398 -4.969 1.00 68.15 ? 49 ARG A NH2 1 +ATOM 363 N N . GLN A 1 50 ? -99.632 -54.031 -3.879 1.00 46.60 ? 50 GLN A N 1 +ATOM 364 C CA . GLN A 1 50 ? -99.613 -54.319 -2.454 1.00 50.24 ? 50 GLN A CA 1 +ATOM 365 C C . GLN A 1 50 ? -98.580 -53.345 -1.894 1.00 53.08 ? 50 GLN A C 1 +ATOM 366 O O . GLN A 1 50 ? -97.444 -53.719 -1.608 1.00 52.74 ? 50 GLN A O 1 +ATOM 367 C CB . GLN A 1 50 ? -99.205 -55.761 -2.156 1.00 49.39 ? 50 GLN A CB 1 +ATOM 368 C CG . GLN A 1 50 ? -99.441 -56.123 -0.688 1.00 50.65 ? 50 GLN A CG 1 +ATOM 369 C CD . GLN A 1 50 ? -100.250 -57.404 -0.508 1.00 53.32 ? 50 GLN A CD 1 +ATOM 370 O OE1 . GLN A 1 50 ? -100.989 -57.825 -1.410 1.00 54.60 ? 50 GLN A OE1 1 +ATOM 371 N NE2 . GLN A 1 50 ? -100.126 -58.024 0.668 1.00 54.85 ? 50 GLN A NE2 1 +ATOM 372 N N . SER A 1 51 ? -99.010 -52.086 -1.762 1.00 57.69 ? 51 SER A N 1 +ATOM 373 C CA . SER A 1 51 ? -98.197 -50.959 -1.283 1.00 61.63 ? 51 SER A CA 1 +ATOM 374 C C . SER A 1 51 ? -97.442 -51.167 0.039 1.00 62.53 ? 51 SER A C 1 +ATOM 375 O O . SER A 1 51 ? -96.452 -50.468 0.326 1.00 64.90 ? 51 SER A O 1 +ATOM 376 C CB . SER A 1 51 ? -99.078 -49.699 -1.153 1.00 62.76 ? 51 SER A CB 1 +ATOM 377 O OG . SER A 1 51 ? -100.000 -49.816 -0.070 1.00 62.78 ? 51 SER A OG 1 +ATOM 378 N N . SER A 1 52 ? -97.914 -52.099 0.854 1.00 60.70 ? 52 SER A N 1 +ATOM 379 C CA . SER A 1 52 ? -97.257 -52.359 2.122 1.00 59.63 ? 52 SER A CA 1 +ATOM 380 C C . SER A 1 52 ? -97.365 -53.840 2.381 1.00 59.03 ? 52 SER A C 1 +ATOM 381 O O . SER A 1 52 ? -97.900 -54.594 1.557 1.00 58.66 ? 52 SER A O 1 +ATOM 382 C CB . SER A 1 52 ? -97.945 -51.580 3.257 1.00 59.47 ? 52 SER A CB 1 +ATOM 383 O OG . SER A 1 52 ? -97.703 -52.170 4.535 1.00 57.72 ? 52 SER A OG 1 +ATOM 384 N N . ALA A 1 53 ? -96.850 -54.260 3.529 1.00 58.17 ? 53 ALA A N 1 +ATOM 385 C CA . ALA A 1 53 ? -96.945 -55.659 3.887 1.00 57.54 ? 53 ALA A CA 1 +ATOM 386 C C . ALA A 1 53 ? -98.439 -55.947 4.137 1.00 56.02 ? 53 ALA A C 1 +ATOM 387 O O . ALA A 1 53 ? -98.969 -56.992 3.715 1.00 56.17 ? 53 ALA A O 1 +ATOM 388 C CB . ALA A 1 53 ? -96.120 -55.937 5.160 1.00 56.46 ? 53 ALA A CB 1 +ATOM 389 N N . GLN A 1 54 ? -99.123 -54.986 4.763 1.00 51.80 ? 54 GLN A N 1 +ATOM 390 C CA . GLN A 1 54 ? -100.518 -55.181 5.120 1.00 47.66 ? 54 GLN A CA 1 +ATOM 391 C C . GLN A 1 54 ? -101.601 -54.330 4.457 1.00 45.16 ? 54 GLN A C 1 +ATOM 392 O O . GLN A 1 54 ? -102.731 -54.270 4.941 1.00 44.04 ? 54 GLN A O 1 +ATOM 393 C CB . GLN A 1 54 ? -100.605 -55.093 6.637 1.00 47.69 ? 54 GLN A CB 1 +ATOM 394 C CG . GLN A 1 54 ? -99.786 -56.210 7.276 1.00 49.48 ? 54 GLN A CG 1 +ATOM 395 C CD . GLN A 1 54 ? -99.607 -56.058 8.769 1.00 50.28 ? 54 GLN A CD 1 +ATOM 396 O OE1 . GLN A 1 54 ? -100.455 -55.472 9.461 1.00 51.13 ? 54 GLN A OE1 1 +ATOM 397 N NE2 . GLN A 1 54 ? -98.506 -56.605 9.288 1.00 49.01 ? 54 GLN A NE2 1 +ATOM 398 N N . ASN A 1 55 ? -101.263 -53.715 3.331 1.00 42.96 ? 55 ASN A N 1 +ATOM 399 C CA . ASN A 1 55 ? -102.198 -52.872 2.594 1.00 41.29 ? 55 ASN A CA 1 +ATOM 400 C C . ASN A 1 55 ? -102.156 -53.129 1.110 1.00 39.18 ? 55 ASN A C 1 +ATOM 401 O O . ASN A 1 55 ? -101.119 -53.478 0.557 1.00 39.71 ? 55 ASN A O 1 +ATOM 402 C CB . ASN A 1 55 ? -101.859 -51.395 2.781 1.00 44.67 ? 55 ASN A CB 1 +ATOM 403 C CG . ASN A 1 55 ? -102.325 -50.855 4.097 1.00 49.68 ? 55 ASN A CG 1 +ATOM 404 O OD1 . ASN A 1 55 ? -101.740 -49.907 4.628 1.00 53.90 ? 55 ASN A OD1 1 +ATOM 405 N ND2 . ASN A 1 55 ? -103.398 -51.433 4.636 1.00 53.29 ? 55 ASN A ND2 1 +ATOM 406 N N . ARG A 1 56 ? -103.297 -52.934 0.471 1.00 35.97 ? 56 ARG A N 1 +ATOM 407 C CA . ARG A 1 56 ? -103.395 -53.040 -0.971 1.00 33.48 ? 56 ARG A CA 1 +ATOM 408 C C . ARG A 1 56 ? -103.960 -51.688 -1.378 1.00 32.05 ? 56 ARG A C 1 +ATOM 409 O O . ARG A 1 56 ? -104.832 -51.146 -0.713 1.00 30.85 ? 56 ARG A O 1 +ATOM 410 C CB . ARG A 1 56 ? -104.293 -54.201 -1.385 1.00 32.59 ? 56 ARG A CB 1 +ATOM 411 C CG . ARG A 1 56 ? -103.499 -55.472 -1.451 1.00 33.60 ? 56 ARG A CG 1 +ATOM 412 C CD . ARG A 1 56 ? -104.323 -56.696 -1.730 1.00 36.47 ? 56 ARG A CD 1 +ATOM 413 N NE . ARG A 1 56 ? -104.967 -56.702 -3.038 1.00 39.12 ? 56 ARG A NE 1 +ATOM 414 C CZ . ARG A 1 56 ? -106.234 -56.349 -3.245 1.00 42.43 ? 56 ARG A CZ 1 +ATOM 415 N NH1 . ARG A 1 56 ? -106.996 -55.951 -2.225 1.00 39.96 ? 56 ARG A NH1 1 +ATOM 416 N NH2 . ARG A 1 56 ? -106.756 -56.427 -4.466 1.00 41.06 ? 56 ARG A NH2 1 +ATOM 417 N N . LYS A 1 57 ? -103.436 -51.125 -2.455 1.00 31.41 ? 57 LYS A N 1 +ATOM 418 C CA . LYS A 1 57 ? -103.874 -49.820 -2.884 1.00 30.74 ? 57 LYS A CA 1 +ATOM 419 C C . LYS A 1 57 ? -104.328 -49.789 -4.328 1.00 29.69 ? 57 LYS A C 1 +ATOM 420 O O . LYS A 1 57 ? -103.612 -50.224 -5.220 1.00 30.37 ? 57 LYS A O 1 +ATOM 421 C CB . LYS A 1 57 ? -102.724 -48.845 -2.671 1.00 33.62 ? 57 LYS A CB 1 +ATOM 422 C CG . LYS A 1 57 ? -103.057 -47.397 -2.892 1.00 40.66 ? 57 LYS A CG 1 +ATOM 423 C CD . LYS A 1 57 ? -101.854 -46.546 -2.524 1.00 46.13 ? 57 LYS A CD 1 +ATOM 424 C CE . LYS A 1 57 ? -102.086 -45.061 -2.814 1.00 50.01 ? 57 LYS A CE 1 +ATOM 425 N NZ . LYS A 1 57 ? -100.818 -44.256 -2.654 1.00 52.60 ? 57 LYS A NZ 1 +ATOM 426 N N . TYR A 1 58 ? -105.537 -49.293 -4.551 1.00 27.98 ? 58 TYR A N 1 +ATOM 427 C CA . TYR A 1 58 ? -106.066 -49.168 -5.897 1.00 27.37 ? 58 TYR A CA 1 +ATOM 428 C C . TYR A 1 58 ? -105.854 -47.734 -6.340 1.00 28.15 ? 58 TYR A C 1 +ATOM 429 O O . TYR A 1 58 ? -106.132 -46.805 -5.590 1.00 27.84 ? 58 TYR A O 1 +ATOM 430 C CB . TYR A 1 58 ? -107.567 -49.461 -5.952 1.00 27.03 ? 58 TYR A CB 1 +ATOM 431 C CG . TYR A 1 58 ? -107.955 -50.910 -5.808 1.00 27.58 ? 58 TYR A CG 1 +ATOM 432 C CD1 . TYR A 1 58 ? -108.027 -51.513 -4.556 1.00 26.14 ? 58 TYR A CD1 1 +ATOM 433 C CD2 . TYR A 1 58 ? -108.273 -51.678 -6.927 1.00 25.76 ? 58 TYR A CD2 1 +ATOM 434 C CE1 . TYR A 1 58 ? -108.408 -52.838 -4.418 1.00 25.28 ? 58 TYR A CE1 1 +ATOM 435 C CE2 . TYR A 1 58 ? -108.655 -53.004 -6.799 1.00 26.65 ? 58 TYR A CE2 1 +ATOM 436 C CZ . TYR A 1 58 ? -108.720 -53.574 -5.541 1.00 27.07 ? 58 TYR A CZ 1 +ATOM 437 O OH . TYR A 1 58 ? -109.090 -54.884 -5.401 1.00 28.56 ? 58 TYR A OH 1 +ATOM 438 N N . THR A 1 59 ? -105.341 -47.558 -7.549 1.00 28.65 ? 59 THR A N 1 +ATOM 439 C CA . THR A 1 59 ? -105.133 -46.227 -8.093 1.00 28.68 ? 59 THR A CA 1 +ATOM 440 C C . THR A 1 59 ? -105.999 -46.128 -9.339 1.00 28.75 ? 59 THR A C 1 +ATOM 441 O O . THR A 1 59 ? -105.810 -46.864 -10.302 1.00 29.20 ? 59 THR A O 1 +ATOM 442 C CB . THR A 1 59 ? -103.668 -45.979 -8.452 1.00 28.81 ? 59 THR A CB 1 +ATOM 443 O OG1 . THR A 1 59 ? -102.870 -46.057 -7.267 1.00 29.41 ? 59 THR A OG1 1 +ATOM 444 C CG2 . THR A 1 59 ? -103.506 -44.609 -9.057 1.00 27.30 ? 59 THR A CG2 1 +ATOM 445 N N . ILE A 1 60 ? -106.961 -45.220 -9.301 1.00 27.68 ? 60 ILE A N 1 +ATOM 446 C CA . ILE A 1 60 ? -107.893 -45.041 -10.395 1.00 27.65 ? 60 ILE A CA 1 +ATOM 447 C C . ILE A 1 60 ? -107.837 -43.626 -10.941 1.00 29.31 ? 60 ILE A C 1 +ATOM 448 O O . ILE A 1 60 ? -107.749 -42.665 -10.185 1.00 29.81 ? 60 ILE A O 1 +ATOM 449 C CB . ILE A 1 60 ? -109.318 -45.360 -9.908 1.00 28.07 ? 60 ILE A CB 1 +ATOM 450 C CG1 . ILE A 1 60 ? -109.355 -46.801 -9.403 1.00 26.23 ? 60 ILE A CG1 1 +ATOM 451 C CG2 . ILE A 1 60 ? -110.327 -45.145 -11.018 1.00 25.63 ? 60 ILE A CG2 1 +ATOM 452 C CD1 . ILE A 1 60 ? -110.517 -47.108 -8.527 1.00 26.75 ? 60 ILE A CD1 1 +ATOM 453 N N . LYS A 1 61 ? -107.878 -43.505 -12.262 1.00 30.09 ? 61 LYS A N 1 +ATOM 454 C CA . LYS A 1 61 ? -107.840 -42.206 -12.915 1.00 30.44 ? 61 LYS A CA 1 +ATOM 455 C C . LYS A 1 61 ? -108.895 -42.121 -14.011 1.00 29.83 ? 61 LYS A C 1 +ATOM 456 O O . LYS A 1 61 ? -109.063 -43.050 -14.789 1.00 29.43 ? 61 LYS A O 1 +ATOM 457 C CB . LYS A 1 61 ? -106.454 -41.958 -13.519 1.00 32.63 ? 61 LYS A CB 1 +ATOM 458 C CG . LYS A 1 61 ? -106.347 -40.646 -14.287 1.00 37.60 ? 61 LYS A CG 1 +ATOM 459 C CD . LYS A 1 61 ? -105.116 -40.593 -15.199 1.00 40.89 ? 61 LYS A CD 1 +ATOM 460 C CE . LYS A 1 61 ? -103.819 -40.408 -14.414 1.00 42.09 ? 61 LYS A CE 1 +ATOM 461 N NZ . LYS A 1 61 ? -103.695 -39.041 -13.813 1.00 42.53 ? 61 LYS A NZ 1 +ATOM 462 N N . VAL A 1 62 ? -109.620 -41.009 -14.053 1.00 29.18 ? 62 VAL A N 1 +ATOM 463 C CA . VAL A 1 62 ? -110.634 -40.794 -15.078 1.00 28.62 ? 62 VAL A CA 1 +ATOM 464 C C . VAL A 1 62 ? -110.413 -39.424 -15.707 1.00 29.59 ? 62 VAL A C 1 +ATOM 465 O O . VAL A 1 62 ? -110.145 -38.458 -15.008 1.00 29.09 ? 62 VAL A O 1 +ATOM 466 C CB . VAL A 1 62 ? -112.067 -40.836 -14.503 1.00 28.83 ? 62 VAL A CB 1 +ATOM 467 C CG1 . VAL A 1 62 ? -113.065 -40.534 -15.605 1.00 27.84 ? 62 VAL A CG1 1 +ATOM 468 C CG2 . VAL A 1 62 ? -112.365 -42.196 -13.906 1.00 28.68 ? 62 VAL A CG2 1 +ATOM 469 N N . GLU A 1 63 ? -110.513 -39.351 -17.031 1.00 30.45 ? 63 GLU A N 1 +ATOM 470 C CA . GLU A 1 63 ? -110.340 -38.090 -17.747 1.00 30.71 ? 63 GLU A CA 1 +ATOM 471 C C . GLU A 1 63 ? -111.565 -37.778 -18.589 1.00 30.75 ? 63 GLU A C 1 +ATOM 472 O O . GLU A 1 63 ? -111.930 -38.549 -19.468 1.00 30.83 ? 63 GLU A O 1 +ATOM 473 C CB . GLU A 1 63 ? -109.126 -38.152 -18.663 1.00 30.67 ? 63 GLU A CB 1 +ATOM 474 C CG . GLU A 1 63 ? -107.798 -38.015 -17.971 1.00 33.54 ? 63 GLU A CG 1 +ATOM 475 C CD . GLU A 1 63 ? -106.652 -38.067 -18.956 1.00 36.14 ? 63 GLU A CD 1 +ATOM 476 O OE1 . GLU A 1 63 ? -106.893 -37.750 -20.140 1.00 38.92 ? 63 GLU A OE1 1 +ATOM 477 O OE2 . GLU A 1 63 ? -105.514 -38.409 -18.560 1.00 38.45 ? 63 GLU A OE2 1 +ATOM 478 N N . VAL A 1 64 ? -112.201 -36.644 -18.319 1.00 30.24 ? 64 VAL A N 1 +ATOM 479 C CA . VAL A 1 64 ? -113.373 -36.232 -19.077 1.00 30.47 ? 64 VAL A CA 1 +ATOM 480 C C . VAL A 1 64 ? -112.990 -35.049 -19.969 1.00 31.79 ? 64 VAL A C 1 +ATOM 481 O O . VAL A 1 64 ? -112.627 -33.981 -19.482 1.00 33.11 ? 64 VAL A O 1 +ATOM 482 C CB . VAL A 1 64 ? -114.523 -35.830 -18.144 1.00 30.27 ? 64 VAL A CB 1 +ATOM 483 C CG1 . VAL A 1 64 ? -115.723 -35.415 -18.962 1.00 29.96 ? 64 VAL A CG1 1 +ATOM 484 C CG2 . VAL A 1 64 ? -114.886 -36.992 -17.236 1.00 27.87 ? 64 VAL A CG2 1 +ATOM 485 N N . PRO A 1 65 ? -113.067 -35.224 -21.293 1.00 32.06 ? 65 PRO A N 1 +ATOM 486 C CA . PRO A 1 65 ? -112.699 -34.120 -22.175 1.00 32.10 ? 65 PRO A CA 1 +ATOM 487 C C . PRO A 1 65 ? -113.831 -33.218 -22.662 1.00 33.32 ? 65 PRO A C 1 +ATOM 488 O O . PRO A 1 65 ? -114.999 -33.613 -22.713 1.00 32.78 ? 65 PRO A O 1 +ATOM 489 C CB . PRO A 1 65 ? -112.039 -34.843 -23.334 1.00 31.00 ? 65 PRO A CB 1 +ATOM 490 C CG . PRO A 1 65 ? -112.946 -36.015 -23.497 1.00 30.48 ? 65 PRO A CG 1 +ATOM 491 C CD . PRO A 1 65 ? -113.199 -36.474 -22.064 1.00 30.66 ? 65 PRO A CD 1 +ATOM 492 N N . LYS A 1 66 ? -113.457 -31.990 -23.006 1.00 34.63 ? 66 LYS A N 1 +ATOM 493 C CA . LYS A 1 66 ? -114.380 -31.018 -23.574 1.00 36.03 ? 66 LYS A CA 1 +ATOM 494 C C . LYS A 1 66 ? -113.894 -30.994 -25.025 1.00 36.45 ? 66 LYS A C 1 +ATOM 495 O O . LYS A 1 66 ? -112.871 -30.375 -25.337 1.00 35.69 ? 66 LYS A O 1 +ATOM 496 C CB . LYS A 1 66 ? -114.191 -29.645 -22.923 1.00 35.68 ? 66 LYS A CB 1 +ATOM 497 C CG . LYS A 1 66 ? -115.125 -28.561 -23.450 1.00 35.15 ? 66 LYS A CG 1 +ATOM 498 C CD . LYS A 1 66 ? -116.575 -28.846 -23.112 1.00 34.49 ? 66 LYS A CD 1 +ATOM 499 C CE . LYS A 1 66 ? -117.479 -27.727 -23.601 1.00 35.89 ? 66 LYS A CE 1 +ATOM 500 N NZ . LYS A 1 66 ? -118.914 -27.937 -23.258 1.00 35.47 ? 66 LYS A NZ 1 +ATOM 501 N N . VAL A 1 67 ? -114.605 -31.698 -25.902 1.00 37.98 ? 67 VAL A N 1 +ATOM 502 C CA . VAL A 1 67 ? -114.207 -31.786 -27.307 1.00 39.80 ? 67 VAL A CA 1 +ATOM 503 C C . VAL A 1 67 ? -114.410 -30.514 -28.118 1.00 41.07 ? 67 VAL A C 1 +ATOM 504 O O . VAL A 1 67 ? -115.361 -29.760 -27.907 1.00 40.56 ? 67 VAL A O 1 +ATOM 505 C CB . VAL A 1 67 ? -114.922 -32.955 -28.020 1.00 39.03 ? 67 VAL A CB 1 +ATOM 506 C CG1 . VAL A 1 67 ? -114.565 -34.271 -27.340 1.00 38.99 ? 67 VAL A CG1 1 +ATOM 507 C CG2 . VAL A 1 67 ? -116.418 -32.738 -28.007 1.00 39.59 ? 67 VAL A CG2 1 +ATOM 508 N N . ALA A 1 68 ? -113.497 -30.291 -29.057 1.00 42.83 ? 68 ALA A N 1 +ATOM 509 C CA . ALA A 1 68 ? -113.539 -29.115 -29.912 1.00 44.69 ? 68 ALA A CA 1 +ATOM 510 C C . ALA A 1 68 ? -112.718 -29.334 -31.181 1.00 45.81 ? 68 ALA A C 1 +ATOM 511 O O . ALA A 1 68 ? -111.918 -30.264 -31.262 1.00 46.51 ? 68 ALA A O 1 +ATOM 512 C CB . ALA A 1 68 ? -112.999 -27.902 -29.151 1.00 42.66 ? 68 ALA A CB 1 +ATOM 513 N N . THR A 1 69 ? -112.930 -28.470 -32.170 1.00 47.19 ? 69 THR A N 1 +ATOM 514 C CA . THR A 1 69 ? -112.191 -28.531 -33.422 1.00 47.84 ? 69 THR A CA 1 +ATOM 515 C C . THR A 1 69 ? -111.276 -27.311 -33.463 1.00 49.27 ? 69 THR A C 1 +ATOM 516 O O . THR A 1 69 ? -111.748 -26.176 -33.407 1.00 50.25 ? 69 THR A O 1 +ATOM 517 C CB . THR A 1 69 ? -113.129 -28.480 -34.619 1.00 46.71 ? 69 THR A CB 1 +ATOM 518 O OG1 . THR A 1 69 ? -114.107 -29.519 -34.491 1.00 47.45 ? 69 THR A OG1 1 +ATOM 519 C CG2 . THR A 1 69 ? -112.343 -28.671 -35.918 1.00 46.49 ? 69 THR A CG2 1 +ATOM 520 N N . GLN A 1 70 ? -109.972 -27.534 -33.547 1.00 50.79 ? 70 GLN A N 1 +ATOM 521 C CA . GLN A 1 70 ? -109.046 -26.416 -33.567 1.00 53.19 ? 70 GLN A CA 1 +ATOM 522 C C . GLN A 1 70 ? -108.282 -26.257 -34.873 1.00 55.28 ? 70 GLN A C 1 +ATOM 523 O O . GLN A 1 70 ? -107.838 -27.242 -35.478 1.00 56.52 ? 70 GLN A O 1 +ATOM 524 C CB . GLN A 1 70 ? -108.041 -26.540 -32.424 1.00 54.06 ? 70 GLN A CB 1 +ATOM 525 C CG . GLN A 1 70 ? -107.045 -25.392 -32.374 1.00 57.35 ? 70 GLN A CG 1 +ATOM 526 C CD . GLN A 1 70 ? -106.121 -25.481 -31.167 1.00 60.48 ? 70 GLN A CD 1 +ATOM 527 O OE1 . GLN A 1 70 ? -105.218 -26.333 -31.113 1.00 61.05 ? 70 GLN A OE1 1 +ATOM 528 N NE2 . GLN A 1 70 ? -106.350 -24.605 -30.180 1.00 61.99 ? 70 GLN A NE2 1 +ATOM 529 N N . THR A 1 71 ? -108.119 -25.001 -35.292 1.00 56.26 ? 71 THR A N 1 +ATOM 530 C CA . THR A 1 71 ? -107.394 -24.674 -36.514 1.00 54.82 ? 71 THR A CA 1 +ATOM 531 C C . THR A 1 71 ? -105.940 -24.322 -36.199 1.00 56.02 ? 71 THR A C 1 +ATOM 532 O O . THR A 1 71 ? -105.654 -23.302 -35.566 1.00 56.55 ? 71 THR A O 1 +ATOM 533 C CB . THR A 1 71 ? -108.044 -23.500 -37.241 1.00 52.21 ? 71 THR A CB 1 +ATOM 534 O OG1 . THR A 1 71 ? -109.404 -23.840 -37.563 1.00 50.93 ? 71 THR A OG1 1 +ATOM 535 C CG2 . THR A 1 71 ? -107.259 -23.178 -38.513 1.00 50.79 ? 71 THR A CG2 1 +ATOM 536 N N . VAL A 1 72 ? -105.030 -25.190 -36.632 1.00 57.63 ? 72 VAL A N 1 +ATOM 537 C CA . VAL A 1 72 ? -103.597 -24.999 -36.411 1.00 58.21 ? 72 VAL A CA 1 +ATOM 538 C C . VAL A 1 72 ? -102.941 -24.977 -37.792 1.00 59.41 ? 72 VAL A C 1 +ATOM 539 O O . VAL A 1 72 ? -103.125 -25.913 -38.593 1.00 59.76 ? 72 VAL A O 1 +ATOM 540 C CB . VAL A 1 72 ? -102.989 -26.172 -35.589 1.00 58.19 ? 72 VAL A CB 1 +ATOM 541 C CG1 . VAL A 1 72 ? -101.564 -25.825 -35.159 1.00 55.91 ? 72 VAL A CG1 1 +ATOM 542 C CG2 . VAL A 1 72 ? -103.892 -26.496 -34.377 1.00 57.33 ? 72 VAL A CG2 1 +ATOM 543 N N . GLY A 1 73 ? -102.182 -23.917 -38.071 1.00 59.20 ? 73 GLY A N 1 +ATOM 544 C CA . GLY A 1 73 ? -101.545 -23.810 -39.372 1.00 58.47 ? 73 GLY A CA 1 +ATOM 545 C C . GLY A 1 73 ? -102.585 -23.847 -40.488 1.00 58.27 ? 73 GLY A C 1 +ATOM 546 O O . GLY A 1 73 ? -102.345 -24.435 -41.552 1.00 58.62 ? 73 GLY A O 1 +ATOM 547 N N . GLY A 1 74 ? -103.747 -23.236 -40.237 1.00 56.91 ? 74 GLY A N 1 +ATOM 548 C CA . GLY A 1 74 ? -104.804 -23.196 -41.235 1.00 54.87 ? 74 GLY A CA 1 +ATOM 549 C C . GLY A 1 74 ? -105.492 -24.524 -41.510 1.00 54.64 ? 74 GLY A C 1 +ATOM 550 O O . GLY A 1 74 ? -106.207 -24.655 -42.511 1.00 54.57 ? 74 GLY A O 1 +ATOM 551 N N . VAL A 1 75 ? -105.291 -25.507 -40.630 1.00 54.06 ? 75 VAL A N 1 +ATOM 552 C CA . VAL A 1 75 ? -105.906 -26.832 -40.793 1.00 53.01 ? 75 VAL A CA 1 +ATOM 553 C C . VAL A 1 75 ? -106.711 -27.247 -39.547 1.00 52.33 ? 75 VAL A C 1 +ATOM 554 O O . VAL A 1 75 ? -106.300 -26.979 -38.413 1.00 51.75 ? 75 VAL A O 1 +ATOM 555 C CB . VAL A 1 75 ? -104.824 -27.913 -41.074 1.00 52.28 ? 75 VAL A CB 1 +ATOM 556 C CG1 . VAL A 1 75 ? -105.487 -29.262 -41.321 1.00 51.52 ? 75 VAL A CG1 1 +ATOM 557 C CG2 . VAL A 1 75 ? -103.972 -27.505 -42.273 1.00 50.75 ? 75 VAL A CG2 1 +ATOM 558 N N . GLU A 1 76 ? -107.844 -27.913 -39.761 1.00 51.81 ? 76 GLU A N 1 +ATOM 559 C CA . GLU A 1 76 ? -108.701 -28.348 -38.656 1.00 52.99 ? 76 GLU A CA 1 +ATOM 560 C C . GLU A 1 76 ? -108.360 -29.715 -38.067 1.00 51.65 ? 76 GLU A C 1 +ATOM 561 O O . GLU A 1 76 ? -108.349 -30.726 -38.779 1.00 52.93 ? 76 GLU A O 1 +ATOM 562 C CB . GLU A 1 76 ? -110.157 -28.380 -39.099 1.00 56.41 ? 76 GLU A CB 1 +ATOM 563 C CG . GLU A 1 76 ? -110.625 -27.097 -39.726 1.00 63.77 ? 76 GLU A CG 1 +ATOM 564 C CD . GLU A 1 76 ? -112.141 -27.010 -39.763 1.00 68.27 ? 76 GLU A CD 1 +ATOM 565 O OE1 . GLU A 1 76 ? -112.799 -28.007 -40.189 1.00 69.34 ? 76 GLU A OE1 1 +ATOM 566 O OE2 . GLU A 1 76 ? -112.665 -25.937 -39.360 1.00 70.81 ? 76 GLU A OE2 1 +ATOM 567 N N . LEU A 1 77 ? -108.121 -29.740 -36.756 1.00 48.51 ? 77 LEU A N 1 +ATOM 568 C CA . LEU A 1 77 ? -107.790 -30.972 -36.054 1.00 45.06 ? 77 LEU A CA 1 +ATOM 569 C C . LEU A 1 77 ? -108.769 -31.233 -34.915 1.00 44.36 ? 77 LEU A C 1 +ATOM 570 O O . LEU A 1 77 ? -109.256 -30.295 -34.283 1.00 44.02 ? 77 LEU A O 1 +ATOM 571 C CB . LEU A 1 77 ? -106.378 -30.869 -35.483 1.00 41.87 ? 77 LEU A CB 1 +ATOM 572 C CG . LEU A 1 77 ? -105.275 -30.613 -36.501 1.00 40.05 ? 77 LEU A CG 1 +ATOM 573 C CD1 . LEU A 1 77 ? -103.965 -30.370 -35.790 1.00 39.00 ? 77 LEU A CD1 1 +ATOM 574 C CD2 . LEU A 1 77 ? -105.170 -31.802 -37.430 1.00 39.68 ? 77 LEU A CD2 1 +ATOM 575 N N . PRO A 1 78 ? -109.096 -32.515 -34.657 1.00 43.97 ? 78 PRO A N 1 +ATOM 576 C CA . PRO A 1 78 ? -110.020 -32.852 -33.566 1.00 42.53 ? 78 PRO A CA 1 +ATOM 577 C C . PRO A 1 78 ? -109.177 -32.788 -32.294 1.00 42.06 ? 78 PRO A C 1 +ATOM 578 O O . PRO A 1 78 ? -108.109 -33.392 -32.217 1.00 42.11 ? 78 PRO A O 1 +ATOM 579 C CB . PRO A 1 78 ? -110.467 -34.268 -33.917 1.00 41.14 ? 78 PRO A CB 1 +ATOM 580 C CG . PRO A 1 78 ? -109.252 -34.842 -34.555 1.00 43.14 ? 78 PRO A CG 1 +ATOM 581 C CD . PRO A 1 78 ? -108.747 -33.715 -35.440 1.00 43.43 ? 78 PRO A CD 1 +ATOM 582 N N . VAL A 1 79 ? -109.641 -32.047 -31.299 1.00 41.74 ? 79 VAL A N 1 +ATOM 583 C CA . VAL A 1 79 ? -108.858 -31.896 -30.083 1.00 41.04 ? 79 VAL A CA 1 +ATOM 584 C C . VAL A 1 79 ? -109.725 -31.697 -28.832 1.00 39.21 ? 79 VAL A C 1 +ATOM 585 O O . VAL A 1 79 ? -110.953 -31.784 -28.894 1.00 38.75 ? 79 VAL A O 1 +ATOM 586 C CB . VAL A 1 79 ? -107.880 -30.700 -30.263 1.00 41.02 ? 79 VAL A CB 1 +ATOM 587 C CG1 . VAL A 1 79 ? -108.636 -29.380 -30.174 1.00 39.04 ? 79 VAL A CG1 1 +ATOM 588 C CG2 . VAL A 1 79 ? -106.761 -30.778 -29.240 1.00 46.57 ? 79 VAL A CG2 1 +ATOM 589 N N . ALA A 1 80 ? -109.083 -31.457 -27.694 1.00 37.43 ? 80 ALA A N 1 +ATOM 590 C CA . ALA A 1 80 ? -109.811 -31.225 -26.451 1.00 36.54 ? 80 ALA A CA 1 +ATOM 591 C C . ALA A 1 80 ? -109.522 -29.806 -25.954 1.00 35.48 ? 80 ALA A C 1 +ATOM 592 O O . ALA A 1 80 ? -108.365 -29.444 -25.737 1.00 35.16 ? 80 ALA A O 1 +ATOM 593 C CB . ALA A 1 80 ? -109.409 -32.255 -25.390 1.00 34.58 ? 80 ALA A CB 1 +ATOM 594 N N . ALA A 1 81 ? -110.575 -29.006 -25.795 1.00 34.15 ? 81 ALA A N 1 +ATOM 595 C CA . ALA A 1 81 ? -110.433 -27.634 -25.320 1.00 34.18 ? 81 ALA A CA 1 +ATOM 596 C C . ALA A 1 81 ? -109.735 -27.678 -23.967 1.00 34.60 ? 81 ALA A C 1 +ATOM 597 O O . ALA A 1 81 ? -108.836 -26.894 -23.686 1.00 35.75 ? 81 ALA A O 1 +ATOM 598 C CB . ALA A 1 81 ? -111.798 -26.986 -25.192 1.00 33.82 ? 81 ALA A CB 1 +ATOM 599 N N . TRP A 1 82 ? -110.174 -28.609 -23.133 1.00 34.69 ? 82 TRP A N 1 +ATOM 600 C CA . TRP A 1 82 ? -109.597 -28.828 -21.816 1.00 34.24 ? 82 TRP A CA 1 +ATOM 601 C C . TRP A 1 82 ? -110.090 -30.183 -21.332 1.00 34.47 ? 82 TRP A C 1 +ATOM 602 O O . TRP A 1 82 ? -110.932 -30.814 -21.977 1.00 34.23 ? 82 TRP A O 1 +ATOM 603 C CB . TRP A 1 82 ? -109.990 -27.721 -20.817 1.00 33.30 ? 82 TRP A CB 1 +ATOM 604 C CG . TRP A 1 82 ? -111.435 -27.301 -20.839 1.00 34.67 ? 82 TRP A CG 1 +ATOM 605 C CD1 . TRP A 1 82 ? -111.965 -26.239 -21.509 1.00 35.06 ? 82 TRP A CD1 1 +ATOM 606 C CD2 . TRP A 1 82 ? -112.537 -27.943 -20.176 1.00 34.45 ? 82 TRP A CD2 1 +ATOM 607 N NE1 . TRP A 1 82 ? -113.325 -26.175 -21.308 1.00 35.13 ? 82 TRP A NE1 1 +ATOM 608 C CE2 . TRP A 1 82 ? -113.703 -27.209 -20.494 1.00 34.45 ? 82 TRP A CE2 1 +ATOM 609 C CE3 . TRP A 1 82 ? -112.652 -29.066 -19.345 1.00 33.96 ? 82 TRP A CE3 1 +ATOM 610 C CZ2 . TRP A 1 82 ? -114.971 -27.562 -20.014 1.00 34.07 ? 82 TRP A CZ2 1 +ATOM 611 C CZ3 . TRP A 1 82 ? -113.913 -29.417 -18.868 1.00 35.07 ? 82 TRP A CZ3 1 +ATOM 612 C CH2 . TRP A 1 82 ? -115.055 -28.664 -19.204 1.00 34.66 ? 82 TRP A CH2 1 +ATOM 613 N N . ARG A 1 83 ? -109.543 -30.633 -20.212 1.00 34.59 ? 83 ARG A N 1 +ATOM 614 C CA . ARG A 1 83 ? -109.921 -31.910 -19.630 1.00 34.16 ? 83 ARG A CA 1 +ATOM 615 C C . ARG A 1 83 ? -110.122 -31.774 -18.139 1.00 33.52 ? 83 ARG A C 1 +ATOM 616 O O . ARG A 1 83 ? -109.498 -30.946 -17.490 1.00 34.76 ? 83 ARG A O 1 +ATOM 617 C CB . ARG A 1 83 ? -108.837 -32.964 -19.884 1.00 33.75 ? 83 ARG A CB 1 +ATOM 618 C CG . ARG A 1 83 ? -108.881 -33.608 -21.244 1.00 34.13 ? 83 ARG A CG 1 +ATOM 619 C CD . ARG A 1 83 ? -107.658 -34.476 -21.477 1.00 34.87 ? 83 ARG A CD 1 +ATOM 620 N NE . ARG A 1 83 ? -107.732 -35.127 -22.780 1.00 38.51 ? 83 ARG A NE 1 +ATOM 621 C CZ . ARG A 1 83 ? -108.380 -36.264 -23.021 1.00 39.72 ? 83 ARG A CZ 1 +ATOM 622 N NH1 . ARG A 1 83 ? -109.007 -36.901 -22.043 1.00 39.75 ? 83 ARG A NH1 1 +ATOM 623 N NH2 . ARG A 1 83 ? -108.432 -36.750 -24.255 1.00 41.07 ? 83 ARG A NH2 1 +ATOM 624 N N . SER A 1 84 ? -111.007 -32.599 -17.602 1.00 33.72 ? 84 SER A N 1 +ATOM 625 C CA . SER A 1 84 ? -111.274 -32.624 -16.175 1.00 33.06 ? 84 SER A CA 1 +ATOM 626 C C . SER A 1 84 ? -110.614 -33.916 -15.698 1.00 31.55 ? 84 SER A C 1 +ATOM 627 O O . SER A 1 84 ? -110.708 -34.940 -16.374 1.00 30.89 ? 84 SER A O 1 +ATOM 628 C CB . SER A 1 84 ? -112.778 -32.656 -15.935 1.00 34.43 ? 84 SER A CB 1 +ATOM 629 O OG . SER A 1 84 ? -113.054 -32.625 -14.553 1.00 38.59 ? 84 SER A OG 1 +ATOM 630 N N . TYR A 1 85 ? -109.935 -33.876 -14.555 1.00 30.27 ? 85 TYR A N 1 +ATOM 631 C CA . TYR A 1 85 ? -109.241 -35.062 -14.055 1.00 30.50 ? 85 TYR A CA 1 +ATOM 632 C C . TYR A 1 85 ? -109.664 -35.559 -12.683 1.00 30.77 ? 85 TYR A C 1 +ATOM 633 O O . TYR A 1 85 ? -109.694 -34.798 -11.727 1.00 32.21 ? 85 TYR A O 1 +ATOM 634 C CB . TYR A 1 85 ? -107.730 -34.821 -14.005 1.00 30.73 ? 85 TYR A CB 1 +ATOM 635 C CG . TYR A 1 85 ? -107.129 -34.274 -15.273 1.00 34.06 ? 85 TYR A CG 1 +ATOM 636 C CD1 . TYR A 1 85 ? -107.229 -32.919 -15.587 1.00 35.10 ? 85 TYR A CD1 1 +ATOM 637 C CD2 . TYR A 1 85 ? -106.470 -35.112 -16.169 1.00 34.92 ? 85 TYR A CD2 1 +ATOM 638 C CE1 . TYR A 1 85 ? -106.691 -32.414 -16.760 1.00 36.78 ? 85 TYR A CE1 1 +ATOM 639 C CE2 . TYR A 1 85 ? -105.928 -34.619 -17.350 1.00 37.20 ? 85 TYR A CE2 1 +ATOM 640 C CZ . TYR A 1 85 ? -106.043 -33.270 -17.641 1.00 38.55 ? 85 TYR A CZ 1 +ATOM 641 O OH . TYR A 1 85 ? -105.527 -32.777 -18.824 1.00 41.62 ? 85 TYR A OH 1 +ATOM 642 N N . LEU A 1 86 ? -109.974 -36.848 -12.596 1.00 29.82 ? 86 LEU A N 1 +ATOM 643 C CA . LEU A 1 86 ? -110.345 -37.475 -11.336 1.00 29.29 ? 86 LEU A CA 1 +ATOM 644 C C . LEU A 1 86 ? -109.247 -38.464 -10.971 1.00 29.45 ? 86 LEU A C 1 +ATOM 645 O O . LEU A 1 86 ? -108.942 -39.374 -11.731 1.00 29.88 ? 86 LEU A O 1 +ATOM 646 C CB . LEU A 1 86 ? -111.678 -38.225 -11.455 1.00 29.17 ? 86 LEU A CB 1 +ATOM 647 C CG . LEU A 1 86 ? -112.028 -39.165 -10.285 1.00 29.05 ? 86 LEU A CG 1 +ATOM 648 C CD1 . LEU A 1 86 ? -112.167 -38.369 -9.003 1.00 29.67 ? 86 LEU A CD1 1 +ATOM 649 C CD2 . LEU A 1 86 ? -113.316 -39.906 -10.575 1.00 29.78 ? 86 LEU A CD2 1 +ATOM 650 N N . ASN A 1 87 ? -108.637 -38.266 -9.814 1.00 30.31 ? 87 ASN A N 1 +ATOM 651 C CA . ASN A 1 87 ? -107.593 -39.167 -9.347 1.00 31.24 ? 87 ASN A CA 1 +ATOM 652 C C . ASN A 1 87 ? -107.996 -39.708 -7.988 1.00 31.56 ? 87 ASN A C 1 +ATOM 653 O O . ASN A 1 87 ? -108.191 -38.942 -7.053 1.00 31.84 ? 87 ASN A O 1 +ATOM 654 C CB . ASN A 1 87 ? -106.260 -38.428 -9.217 1.00 33.22 ? 87 ASN A CB 1 +ATOM 655 C CG . ASN A 1 87 ? -105.625 -38.128 -10.559 1.00 37.22 ? 87 ASN A CG 1 +ATOM 656 O OD1 . ASN A 1 87 ? -105.260 -39.039 -11.300 1.00 41.13 ? 87 ASN A OD1 1 +ATOM 657 N ND2 . ASN A 1 87 ? -105.487 -36.845 -10.878 1.00 36.85 ? 87 ASN A ND2 1 +ATOM 658 N N . MET A 1 88 ? -108.145 -41.020 -7.873 1.00 30.80 ? 88 MET A N 1 +ATOM 659 C CA . MET A 1 88 ? -108.502 -41.571 -6.580 1.00 33.55 ? 88 MET A CA 1 +ATOM 660 C C . MET A 1 88 ? -107.631 -42.735 -6.125 1.00 33.11 ? 88 MET A C 1 +ATOM 661 O O . MET A 1 88 ? -107.199 -43.556 -6.920 1.00 32.54 ? 88 MET A O 1 +ATOM 662 C CB . MET A 1 88 ? -109.977 -41.969 -6.553 1.00 35.68 ? 88 MET A CB 1 +ATOM 663 C CG . MET A 1 88 ? -110.374 -43.123 -7.425 1.00 39.92 ? 88 MET A CG 1 +ATOM 664 S SD . MET A 1 88 ? -112.137 -43.489 -7.177 1.00 46.34 ? 88 MET A SD 1 +ATOM 665 C CE . MET A 1 88 ? -112.858 -42.063 -7.951 1.00 42.99 ? 88 MET A CE 1 +ATOM 666 N N . GLU A 1 89 ? -107.350 -42.774 -4.829 1.00 33.95 ? 89 GLU A N 1 +ATOM 667 C CA . GLU A 1 89 ? -106.550 -43.838 -4.253 1.00 34.85 ? 89 GLU A CA 1 +ATOM 668 C C . GLU A 1 89 ? -107.336 -44.480 -3.139 1.00 33.20 ? 89 GLU A C 1 +ATOM 669 O O . GLU A 1 89 ? -107.838 -43.801 -2.257 1.00 33.67 ? 89 GLU A O 1 +ATOM 670 C CB . GLU A 1 89 ? -105.251 -43.296 -3.697 1.00 39.21 ? 89 GLU A CB 1 +ATOM 671 C CG . GLU A 1 89 ? -104.493 -42.473 -4.686 1.00 49.56 ? 89 GLU A CG 1 +ATOM 672 C CD . GLU A 1 89 ? -103.025 -42.412 -4.348 1.00 55.65 ? 89 GLU A CD 1 +ATOM 673 O OE1 . GLU A 1 89 ? -102.716 -42.192 -3.145 1.00 58.58 ? 89 GLU A OE1 1 +ATOM 674 O OE2 . GLU A 1 89 ? -102.190 -42.586 -5.278 1.00 59.35 ? 89 GLU A OE2 1 +ATOM 675 N N . LEU A 1 90 ? -107.432 -45.798 -3.185 1.00 31.79 ? 90 LEU A N 1 +ATOM 676 C CA . LEU A 1 90 ? -108.171 -46.535 -2.189 1.00 31.03 ? 90 LEU A CA 1 +ATOM 677 C C . LEU A 1 90 ? -107.246 -47.529 -1.489 1.00 30.87 ? 90 LEU A C 1 +ATOM 678 O O . LEU A 1 90 ? -106.714 -48.436 -2.116 1.00 30.95 ? 90 LEU A O 1 +ATOM 679 C CB . LEU A 1 90 ? -109.335 -47.247 -2.874 1.00 29.60 ? 90 LEU A CB 1 +ATOM 680 C CG . LEU A 1 90 ? -110.242 -48.144 -2.042 1.00 31.60 ? 90 LEU A CG 1 +ATOM 681 C CD1 . LEU A 1 90 ? -110.887 -47.362 -0.909 1.00 30.43 ? 90 LEU A CD1 1 +ATOM 682 C CD2 . LEU A 1 90 ? -111.287 -48.741 -2.956 1.00 31.39 ? 90 LEU A CD2 1 +ATOM 683 N N . THR A 1 91 ? -107.039 -47.341 -0.191 1.00 29.99 ? 91 THR A N 1 +ATOM 684 C CA . THR A 1 91 ? -106.181 -48.233 0.574 1.00 30.08 ? 91 THR A CA 1 +ATOM 685 C C . THR A 1 91 ? -107.026 -49.169 1.423 1.00 30.24 ? 91 THR A C 1 +ATOM 686 O O . THR A 1 91 ? -107.771 -48.731 2.291 1.00 30.90 ? 91 THR A O 1 +ATOM 687 C CB . THR A 1 91 ? -105.239 -47.455 1.495 1.00 30.64 ? 91 THR A CB 1 +ATOM 688 O OG1 . THR A 1 91 ? -104.384 -46.625 0.706 1.00 32.58 ? 91 THR A OG1 1 +ATOM 689 C CG2 . THR A 1 91 ? -104.391 -48.407 2.303 1.00 29.23 ? 91 THR A CG2 1 +ATOM 690 N N . ILE A 1 92 ? -106.897 -50.466 1.170 1.00 29.49 ? 92 ILE A N 1 +ATOM 691 C CA . ILE A 1 92 ? -107.662 -51.471 1.892 1.00 29.09 ? 92 ILE A CA 1 +ATOM 692 C C . ILE A 1 92 ? -106.742 -52.431 2.642 1.00 28.74 ? 92 ILE A C 1 +ATOM 693 O O . ILE A 1 92 ? -105.787 -52.956 2.074 1.00 30.86 ? 92 ILE A O 1 +ATOM 694 C CB . ILE A 1 92 ? -108.547 -52.275 0.906 1.00 27.98 ? 92 ILE A CB 1 +ATOM 695 C CG1 . ILE A 1 92 ? -109.426 -51.316 0.098 1.00 27.77 ? 92 ILE A CG1 1 +ATOM 696 C CG2 . ILE A 1 92 ? -109.405 -53.271 1.661 1.00 26.56 ? 92 ILE A CG2 1 +ATOM 697 C CD1 . ILE A 1 92 ? -110.273 -51.980 -0.953 1.00 26.44 ? 92 ILE A CD1 1 +ATOM 698 N N . PRO A 1 93 ? -107.003 -52.658 3.937 1.00 28.12 ? 93 PRO A N 1 +ATOM 699 C CA . PRO A 1 93 ? -106.139 -53.584 4.676 1.00 27.87 ? 93 PRO A CA 1 +ATOM 700 C C . PRO A 1 93 ? -106.346 -55.028 4.193 1.00 28.66 ? 93 PRO A C 1 +ATOM 701 O O . PRO A 1 93 ? -107.444 -55.398 3.795 1.00 29.26 ? 93 PRO A O 1 +ATOM 702 C CB . PRO A 1 93 ? -106.559 -53.359 6.123 1.00 26.28 ? 93 PRO A CB 1 +ATOM 703 C CG . PRO A 1 93 ? -107.979 -52.944 6.006 1.00 27.33 ? 93 PRO A CG 1 +ATOM 704 C CD . PRO A 1 93 ? -107.973 -52.014 4.835 1.00 26.55 ? 93 PRO A CD 1 +ATOM 705 N N . ILE A 1 94 ? -105.291 -55.837 4.218 1.00 28.86 ? 94 ILE A N 1 +ATOM 706 C CA . ILE A 1 94 ? -105.393 -57.222 3.761 1.00 27.91 ? 94 ILE A CA 1 +ATOM 707 C C . ILE A 1 94 ? -106.371 -58.062 4.576 1.00 28.44 ? 94 ILE A C 1 +ATOM 708 O O . ILE A 1 94 ? -106.791 -59.125 4.134 1.00 29.96 ? 94 ILE A O 1 +ATOM 709 C CB . ILE A 1 94 ? -104.010 -57.938 3.761 1.00 27.97 ? 94 ILE A CB 1 +ATOM 710 C CG1 . ILE A 1 94 ? -103.407 -57.920 5.166 1.00 27.46 ? 94 ILE A CG1 1 +ATOM 711 C CG2 . ILE A 1 94 ? -103.076 -57.280 2.757 1.00 24.78 ? 94 ILE A CG2 1 +ATOM 712 C CD1 . ILE A 1 94 ? -102.180 -58.777 5.308 1.00 25.70 ? 94 ILE A CD1 1 +ATOM 713 N N . PHE A 1 95 ? -106.740 -57.582 5.759 1.00 27.76 ? 95 PHE A N 1 +ATOM 714 C CA . PHE A 1 95 ? -107.663 -58.309 6.622 1.00 27.53 ? 95 PHE A CA 1 +ATOM 715 C C . PHE A 1 95 ? -109.126 -58.124 6.248 1.00 27.60 ? 95 PHE A C 1 +ATOM 716 O O . PHE A 1 95 ? -110.001 -58.751 6.834 1.00 26.84 ? 95 PHE A O 1 +ATOM 717 C CB . PHE A 1 95 ? -107.447 -57.902 8.076 1.00 27.47 ? 95 PHE A CB 1 +ATOM 718 C CG . PHE A 1 95 ? -106.015 -57.925 8.489 1.00 29.10 ? 95 PHE A CG 1 +ATOM 719 C CD1 . PHE A 1 95 ? -105.387 -59.128 8.779 1.00 28.50 ? 95 PHE A CD1 1 +ATOM 720 C CD2 . PHE A 1 95 ? -105.272 -56.753 8.528 1.00 28.82 ? 95 PHE A CD2 1 +ATOM 721 C CE1 . PHE A 1 95 ? -104.039 -59.164 9.093 1.00 28.95 ? 95 PHE A CE1 1 +ATOM 722 C CE2 . PHE A 1 95 ? -103.924 -56.778 8.842 1.00 28.38 ? 95 PHE A CE2 1 +ATOM 723 C CZ . PHE A 1 95 ? -103.305 -57.985 9.124 1.00 28.81 ? 95 PHE A CZ 1 +ATOM 724 N N . ALA A 1 96 ? -109.389 -57.266 5.273 1.00 27.38 ? 96 ALA A N 1 +ATOM 725 C CA . ALA A 1 96 ? -110.748 -57.018 4.827 1.00 27.60 ? 96 ALA A CA 1 +ATOM 726 C C . ALA A 1 96 ? -111.278 -58.204 4.023 1.00 28.75 ? 96 ALA A C 1 +ATOM 727 O O . ALA A 1 96 ? -110.651 -58.657 3.067 1.00 29.39 ? 96 ALA A O 1 +ATOM 728 C CB . ALA A 1 96 ? -110.797 -55.760 3.989 1.00 24.67 ? 96 ALA A CB 1 +ATOM 729 N N . THR A 1 97 ? -112.437 -58.709 4.426 1.00 29.34 ? 97 THR A N 1 +ATOM 730 C CA . THR A 1 97 ? -113.063 -59.828 3.739 1.00 29.07 ? 97 THR A CA 1 +ATOM 731 C C . THR A 1 97 ? -113.819 -59.292 2.527 1.00 30.58 ? 97 THR A C 1 +ATOM 732 O O . THR A 1 97 ? -113.832 -58.093 2.289 1.00 31.19 ? 97 THR A O 1 +ATOM 733 C CB . THR A 1 97 ? -114.047 -60.560 4.669 1.00 28.44 ? 97 THR A CB 1 +ATOM 734 O OG1 . THR A 1 97 ? -115.149 -59.701 4.969 1.00 27.37 ? 97 THR A OG1 1 +ATOM 735 C CG2 . THR A 1 97 ? -113.362 -60.957 5.958 1.00 25.12 ? 97 THR A CG2 1 +ATOM 736 N N . ASN A 1 98 ? -114.442 -60.175 1.757 1.00 32.41 ? 98 ASN A N 1 +ATOM 737 C CA . ASN A 1 98 ? -115.187 -59.742 0.582 1.00 32.72 ? 98 ASN A CA 1 +ATOM 738 C C . ASN A 1 98 ? -116.370 -58.869 0.976 1.00 33.36 ? 98 ASN A C 1 +ATOM 739 O O . ASN A 1 98 ? -116.696 -57.901 0.287 1.00 33.80 ? 98 ASN A O 1 +ATOM 740 C CB . ASN A 1 98 ? -115.686 -60.950 -0.208 1.00 35.77 ? 98 ASN A CB 1 +ATOM 741 C CG . ASN A 1 98 ? -114.628 -61.530 -1.128 1.00 38.09 ? 98 ASN A CG 1 +ATOM 742 O OD1 . ASN A 1 98 ? -113.461 -61.142 -1.089 1.00 39.41 ? 98 ASN A OD1 1 +ATOM 743 N ND2 . ASN A 1 98 ? -115.037 -62.473 -1.963 1.00 40.65 ? 98 ASN A ND2 1 +ATOM 744 N N . SER A 1 99 ? -117.021 -59.209 2.083 1.00 32.50 ? 99 SER A N 1 +ATOM 745 C CA . SER A 1 99 ? -118.156 -58.419 2.536 1.00 32.39 ? 99 SER A CA 1 +ATOM 746 C C . SER A 1 99 ? -117.686 -57.057 3.045 1.00 32.17 ? 99 SER A C 1 +ATOM 747 O O . SER A 1 99 ? -118.437 -56.089 2.993 1.00 33.97 ? 99 SER A O 1 +ATOM 748 C CB . SER A 1 99 ? -118.921 -59.157 3.632 1.00 31.02 ? 99 SER A CB 1 +ATOM 749 O OG . SER A 1 99 ? -118.095 -59.401 4.754 1.00 35.66 ? 99 SER A OG 1 +ATOM 750 N N . ASP A 1 100 ? -116.454 -56.984 3.545 1.00 31.65 ? 100 ASP A N 1 +ATOM 751 C CA . ASP A 1 100 ? -115.914 -55.718 4.030 1.00 29.86 ? 100 ASP A CA 1 +ATOM 752 C C . ASP A 1 100 ? -115.689 -54.802 2.840 1.00 29.95 ? 100 ASP A C 1 +ATOM 753 O O . ASP A 1 100 ? -115.898 -53.596 2.927 1.00 29.82 ? 100 ASP A O 1 +ATOM 754 C CB . ASP A 1 100 ? -114.576 -55.908 4.749 1.00 29.25 ? 100 ASP A CB 1 +ATOM 755 C CG . ASP A 1 100 ? -114.725 -56.435 6.158 1.00 31.01 ? 100 ASP A CG 1 +ATOM 756 O OD1 . ASP A 1 100 ? -115.752 -56.160 6.804 1.00 31.68 ? 100 ASP A OD1 1 +ATOM 757 O OD2 . ASP A 1 100 ? -113.795 -57.112 6.636 1.00 29.57 ? 100 ASP A OD2 1 +ATOM 758 N N . CYS A 1 101 ? -115.255 -55.390 1.730 1.00 28.97 ? 101 CYS A N 1 +ATOM 759 C CA . CYS A 1 101 ? -114.981 -54.643 0.515 1.00 30.27 ? 101 CYS A CA 1 +ATOM 760 C C . CYS A 1 101 ? -116.250 -54.177 -0.185 1.00 31.99 ? 101 CYS A C 1 +ATOM 761 O O . CYS A 1 101 ? -116.262 -53.120 -0.815 1.00 31.80 ? 101 CYS A O 1 +ATOM 762 C CB . CYS A 1 101 ? -114.124 -55.486 -0.427 1.00 29.93 ? 101 CYS A CB 1 +ATOM 763 S SG . CYS A 1 101 ? -112.449 -55.750 0.179 1.00 29.99 ? 101 CYS A SG 1 +ATOM 764 N N . GLU A 1 102 ? -117.313 -54.967 -0.075 1.00 33.15 ? 102 GLU A N 1 +ATOM 765 C CA . GLU A 1 102 ? -118.597 -54.611 -0.668 1.00 34.94 ? 102 GLU A CA 1 +ATOM 766 C C . GLU A 1 102 ? -119.128 -53.375 0.034 1.00 34.14 ? 102 GLU A C 1 +ATOM 767 O O . GLU A 1 102 ? -119.840 -52.563 -0.549 1.00 34.07 ? 102 GLU A O 1 +ATOM 768 C CB . GLU A 1 102 ? -119.595 -55.740 -0.484 1.00 38.79 ? 102 GLU A CB 1 +ATOM 769 C CG . GLU A 1 102 ? -119.437 -56.874 -1.463 1.00 47.05 ? 102 GLU A CG 1 +ATOM 770 C CD . GLU A 1 102 ? -120.249 -58.089 -1.049 1.00 52.28 ? 102 GLU A CD 1 +ATOM 771 O OE1 . GLU A 1 102 ? -121.371 -57.895 -0.509 1.00 54.76 ? 102 GLU A OE1 1 +ATOM 772 O OE2 . GLU A 1 102 ? -119.767 -59.231 -1.269 1.00 54.79 ? 102 GLU A OE2 1 +ATOM 773 N N . LEU A 1 103 ? -118.771 -53.251 1.304 1.00 33.46 ? 103 LEU A N 1 +ATOM 774 C CA . LEU A 1 103 ? -119.176 -52.130 2.130 1.00 32.47 ? 103 LEU A CA 1 +ATOM 775 C C . LEU A 1 103 ? -118.508 -50.854 1.627 1.00 31.91 ? 103 LEU A C 1 +ATOM 776 O O . LEU A 1 103 ? -119.100 -49.781 1.651 1.00 31.80 ? 103 LEU A O 1 +ATOM 777 C CB . LEU A 1 103 ? -118.766 -52.411 3.565 1.00 33.89 ? 103 LEU A CB 1 +ATOM 778 C CG . LEU A 1 103 ? -119.688 -51.943 4.678 1.00 36.63 ? 103 LEU A CG 1 +ATOM 779 C CD1 . LEU A 1 103 ? -121.103 -52.427 4.430 1.00 36.13 ? 103 LEU A CD1 1 +ATOM 780 C CD2 . LEU A 1 103 ? -119.152 -52.493 5.987 1.00 38.06 ? 103 LEU A CD2 1 +ATOM 781 N N . ILE A 1 104 ? -117.266 -50.980 1.171 1.00 29.84 ? 104 ILE A N 1 +ATOM 782 C CA . ILE A 1 104 ? -116.534 -49.842 0.651 1.00 28.36 ? 104 ILE A CA 1 +ATOM 783 C C . ILE A 1 104 ? -117.163 -49.410 -0.667 1.00 29.64 ? 104 ILE A C 1 +ATOM 784 O O . ILE A 1 104 ? -117.337 -48.223 -0.916 1.00 30.27 ? 104 ILE A O 1 +ATOM 785 C CB . ILE A 1 104 ? -115.059 -50.191 0.403 1.00 27.96 ? 104 ILE A CB 1 +ATOM 786 C CG1 . ILE A 1 104 ? -114.399 -50.618 1.714 1.00 28.57 ? 104 ILE A CG1 1 +ATOM 787 C CG2 . ILE A 1 104 ? -114.336 -48.995 -0.195 1.00 25.67 ? 104 ILE A CG2 1 +ATOM 788 C CD1 . ILE A 1 104 ? -113.001 -51.162 1.548 1.00 26.20 ? 104 ILE A CD1 1 +ATOM 789 N N . VAL A 1 105 ? -117.515 -50.372 -1.514 1.00 28.42 ? 105 VAL A N 1 +ATOM 790 C CA . VAL A 1 105 ? -118.118 -50.032 -2.793 1.00 29.41 ? 105 VAL A CA 1 +ATOM 791 C C . VAL A 1 105 ? -119.456 -49.323 -2.598 1.00 30.17 ? 105 VAL A C 1 +ATOM 792 O O . VAL A 1 105 ? -119.741 -48.335 -3.266 1.00 31.05 ? 105 VAL A O 1 +ATOM 793 C CB . VAL A 1 105 ? -118.309 -51.286 -3.680 1.00 29.01 ? 105 VAL A CB 1 +ATOM 794 C CG1 . VAL A 1 105 ? -119.051 -50.919 -4.951 1.00 27.82 ? 105 VAL A CG1 1 +ATOM 795 C CG2 . VAL A 1 105 ? -116.963 -51.871 -4.036 1.00 27.10 ? 105 VAL A CG2 1 +ATOM 796 N N . LYS A 1 106 ? -120.271 -49.816 -1.677 1.00 30.21 ? 106 LYS A N 1 +ATOM 797 C CA . LYS A 1 106 ? -121.559 -49.197 -1.411 1.00 30.40 ? 106 LYS A CA 1 +ATOM 798 C C . LYS A 1 106 ? -121.411 -47.774 -0.898 1.00 30.22 ? 106 LYS A C 1 +ATOM 799 O O . LYS A 1 106 ? -122.210 -46.910 -1.237 1.00 30.98 ? 106 LYS A O 1 +ATOM 800 C CB . LYS A 1 106 ? -122.343 -50.013 -0.395 1.00 32.50 ? 106 LYS A CB 1 +ATOM 801 C CG . LYS A 1 106 ? -122.890 -51.297 -0.942 1.00 35.05 ? 106 LYS A CG 1 +ATOM 802 C CD . LYS A 1 106 ? -123.661 -52.037 0.125 1.00 41.74 ? 106 LYS A CD 1 +ATOM 803 C CE . LYS A 1 106 ? -124.417 -53.200 -0.478 1.00 47.56 ? 106 LYS A CE 1 +ATOM 804 N NZ . LYS A 1 106 ? -125.329 -52.712 -1.574 1.00 53.14 ? 106 LYS A NZ 1 +ATOM 805 N N . ALA A 1 107 ? -120.399 -47.536 -0.072 1.00 29.07 ? 107 ALA A N 1 +ATOM 806 C CA . ALA A 1 107 ? -120.159 -46.207 0.474 1.00 27.74 ? 107 ALA A CA 1 +ATOM 807 C C . ALA A 1 107 ? -119.793 -45.245 -0.652 1.00 28.05 ? 107 ALA A C 1 +ATOM 808 O O . ALA A 1 107 ? -120.232 -44.103 -0.666 1.00 28.05 ? 107 ALA A O 1 +ATOM 809 C CB . ALA A 1 107 ? -119.045 -46.256 1.513 1.00 25.02 ? 107 ALA A CB 1 +ATOM 810 N N . MET A 1 108 ? -118.986 -45.710 -1.599 1.00 29.28 ? 108 MET A N 1 +ATOM 811 C CA . MET A 1 108 ? -118.591 -44.864 -2.713 1.00 30.45 ? 108 MET A CA 1 +ATOM 812 C C . MET A 1 108 ? -119.770 -44.565 -3.620 1.00 31.80 ? 108 MET A C 1 +ATOM 813 O O . MET A 1 108 ? -119.838 -43.493 -4.214 1.00 33.79 ? 108 MET A O 1 +ATOM 814 C CB . MET A 1 108 ? -117.477 -45.519 -3.518 1.00 30.27 ? 108 MET A CB 1 +ATOM 815 C CG . MET A 1 108 ? -116.190 -45.668 -2.745 1.00 33.21 ? 108 MET A CG 1 +ATOM 816 S SD . MET A 1 108 ? -114.822 -46.100 -3.825 1.00 38.68 ? 108 MET A SD 1 +ATOM 817 C CE . MET A 1 108 ? -115.112 -47.832 -4.074 1.00 35.83 ? 108 MET A CE 1 +ATOM 818 N N . GLN A 1 109 ? -120.701 -45.508 -3.727 1.00 30.83 ? 109 GLN A N 1 +ATOM 819 C CA . GLN A 1 109 ? -121.872 -45.301 -4.558 1.00 30.37 ? 109 GLN A CA 1 +ATOM 820 C C . GLN A 1 109 ? -122.848 -44.353 -3.886 1.00 30.57 ? 109 GLN A C 1 +ATOM 821 O O . GLN A 1 109 ? -123.457 -43.531 -4.550 1.00 31.40 ? 109 GLN A O 1 +ATOM 822 C CB . GLN A 1 109 ? -122.566 -46.623 -4.851 1.00 29.51 ? 109 GLN A CB 1 +ATOM 823 C CG . GLN A 1 109 ? -121.713 -47.587 -5.620 1.00 31.73 ? 109 GLN A CG 1 +ATOM 824 C CD . GLN A 1 109 ? -122.350 -48.944 -5.724 1.00 33.04 ? 109 GLN A CD 1 +ATOM 825 O OE1 . GLN A 1 109 ? -122.993 -49.411 -4.783 1.00 35.34 ? 109 GLN A OE1 1 +ATOM 826 N NE2 . GLN A 1 109 ? -122.165 -49.599 -6.859 1.00 33.94 ? 109 GLN A NE2 1 +ATOM 827 N N . GLY A 1 110 ? -122.994 -44.468 -2.572 1.00 29.21 ? 110 GLY A N 1 +ATOM 828 C CA . GLY A 1 110 ? -123.906 -43.593 -1.854 1.00 28.78 ? 110 GLY A CA 1 +ATOM 829 C C . GLY A 1 110 ? -123.373 -42.177 -1.804 1.00 29.50 ? 110 GLY A C 1 +ATOM 830 O O . GLY A 1 110 ? -124.123 -41.211 -1.802 1.00 29.68 ? 110 GLY A O 1 +ATOM 831 N N . LEU A 1 111 ? -122.055 -42.060 -1.768 1.00 30.35 ? 111 LEU A N 1 +ATOM 832 C CA . LEU A 1 111 ? -121.392 -40.764 -1.725 1.00 30.39 ? 111 LEU A CA 1 +ATOM 833 C C . LEU A 1 111 ? -121.732 -39.914 -2.945 1.00 31.23 ? 111 LEU A C 1 +ATOM 834 O O . LEU A 1 111 ? -121.930 -38.710 -2.832 1.00 30.76 ? 111 LEU A O 1 +ATOM 835 C CB . LEU A 1 111 ? -119.880 -40.972 -1.681 1.00 29.78 ? 111 LEU A CB 1 +ATOM 836 C CG . LEU A 1 111 ? -118.992 -39.737 -1.676 1.00 29.06 ? 111 LEU A CG 1 +ATOM 837 C CD1 . LEU A 1 111 ? -118.924 -39.187 -0.275 1.00 29.73 ? 111 LEU A CD1 1 +ATOM 838 C CD2 . LEU A 1 111 ? -117.607 -40.101 -2.160 1.00 29.01 ? 111 LEU A CD2 1 +ATOM 839 N N . LEU A 1 112 ? -121.805 -40.562 -4.104 1.00 31.74 ? 112 LEU A N 1 +ATOM 840 C CA . LEU A 1 112 ? -122.063 -39.885 -5.368 1.00 33.35 ? 112 LEU A CA 1 +ATOM 841 C C . LEU A 1 112 ? -123.480 -39.958 -5.916 1.00 34.35 ? 112 LEU A C 1 +ATOM 842 O O . LEU A 1 112 ? -123.738 -39.494 -7.022 1.00 35.31 ? 112 LEU A O 1 +ATOM 843 C CB . LEU A 1 112 ? -121.103 -40.425 -6.422 1.00 32.63 ? 112 LEU A CB 1 +ATOM 844 C CG . LEU A 1 112 ? -119.625 -40.242 -6.110 1.00 33.69 ? 112 LEU A CG 1 +ATOM 845 C CD1 . LEU A 1 112 ? -118.794 -41.120 -7.018 1.00 34.50 ? 112 LEU A CD1 1 +ATOM 846 C CD2 . LEU A 1 112 ? -119.263 -38.782 -6.266 1.00 32.46 ? 112 LEU A CD2 1 +ATOM 847 N N . LYS A 1 113 ? -124.398 -40.536 -5.158 1.00 35.06 ? 113 LYS A N 1 +ATOM 848 C CA . LYS A 1 113 ? -125.779 -40.661 -5.607 1.00 36.47 ? 113 LYS A CA 1 +ATOM 849 C C . LYS A 1 113 ? -126.459 -39.306 -5.799 1.00 36.68 ? 113 LYS A C 1 +ATOM 850 O O . LYS A 1 113 ? -126.267 -38.396 -4.994 1.00 36.06 ? 113 LYS A O 1 +ATOM 851 C CB . LYS A 1 113 ? -126.565 -41.490 -4.597 1.00 37.85 ? 113 LYS A CB 1 +ATOM 852 C CG . LYS A 1 113 ? -128.000 -41.711 -4.980 1.00 42.03 ? 113 LYS A CG 1 +ATOM 853 C CD . LYS A 1 113 ? -128.684 -42.613 -3.990 1.00 46.66 ? 113 LYS A CD 1 +ATOM 854 C CE . LYS A 1 113 ? -130.094 -42.948 -4.444 1.00 49.41 ? 113 LYS A CE 1 +ATOM 855 N NZ . LYS A 1 113 ? -130.708 -43.957 -3.532 1.00 53.89 ? 113 LYS A NZ 1 +ATOM 856 N N . ASP A 1 114 ? -127.258 -39.176 -6.859 1.00 37.00 ? 114 ASP A N 1 +ATOM 857 C CA . ASP A 1 114 ? -127.964 -37.923 -7.135 1.00 38.81 ? 114 ASP A CA 1 +ATOM 858 C C . ASP A 1 114 ? -128.751 -37.418 -5.938 1.00 38.32 ? 114 ASP A C 1 +ATOM 859 O O . ASP A 1 114 ? -129.444 -38.183 -5.266 1.00 37.73 ? 114 ASP A O 1 +ATOM 860 C CB . ASP A 1 114 ? -128.940 -38.068 -8.302 1.00 42.18 ? 114 ASP A CB 1 +ATOM 861 C CG . ASP A 1 114 ? -128.258 -37.991 -9.646 1.00 48.68 ? 114 ASP A CG 1 +ATOM 862 O OD1 . ASP A 1 114 ? -127.367 -37.121 -9.821 1.00 51.13 ? 114 ASP A OD1 1 +ATOM 863 O OD2 . ASP A 1 114 ? -128.623 -38.791 -10.541 1.00 52.88 ? 114 ASP A OD2 1 +ATOM 864 N N . GLY A 1 115 ? -128.649 -36.119 -5.687 1.00 36.97 ? 115 GLY A N 1 +ATOM 865 C CA . GLY A 1 115 ? -129.375 -35.539 -4.579 1.00 35.97 ? 115 GLY A CA 1 +ATOM 866 C C . GLY A 1 115 ? -128.562 -35.401 -3.315 1.00 36.27 ? 115 GLY A C 1 +ATOM 867 O O . GLY A 1 115 ? -128.901 -34.590 -2.454 1.00 38.37 ? 115 GLY A O 1 +ATOM 868 N N . ASN A 1 116 ? -127.495 -36.181 -3.184 1.00 34.95 ? 116 ASN A N 1 +ATOM 869 C CA . ASN A 1 116 ? -126.673 -36.084 -1.989 1.00 33.33 ? 116 ASN A CA 1 +ATOM 870 C C . ASN A 1 116 ? -125.764 -34.862 -2.053 1.00 32.56 ? 116 ASN A C 1 +ATOM 871 O O . ASN A 1 116 ? -125.502 -34.326 -3.125 1.00 32.12 ? 116 ASN A O 1 +ATOM 872 C CB . ASN A 1 116 ? -125.891 -37.377 -1.775 1.00 32.44 ? 116 ASN A CB 1 +ATOM 873 C CG . ASN A 1 116 ? -126.790 -38.516 -1.331 1.00 33.12 ? 116 ASN A CG 1 +ATOM 874 O OD1 . ASN A 1 116 ? -127.905 -38.288 -0.874 1.00 32.16 ? 116 ASN A OD1 1 +ATOM 875 N ND2 . ASN A 1 116 ? -126.307 -39.739 -1.450 1.00 33.05 ? 116 ASN A ND2 1 +ATOM 876 N N . PRO A 1 117 ? -125.278 -34.401 -0.898 1.00 32.04 ? 117 PRO A N 1 +ATOM 877 C CA . PRO A 1 117 ? -124.408 -33.227 -0.808 1.00 32.01 ? 117 PRO A CA 1 +ATOM 878 C C . PRO A 1 117 ? -123.295 -33.043 -1.838 1.00 32.36 ? 117 PRO A C 1 +ATOM 879 O O . PRO A 1 117 ? -123.336 -32.115 -2.637 1.00 32.79 ? 117 PRO A O 1 +ATOM 880 C CB . PRO A 1 117 ? -123.874 -33.309 0.620 1.00 31.40 ? 117 PRO A CB 1 +ATOM 881 C CG . PRO A 1 117 ? -125.012 -33.932 1.353 1.00 31.44 ? 117 PRO A CG 1 +ATOM 882 C CD . PRO A 1 117 ? -125.417 -35.042 0.420 1.00 30.84 ? 117 PRO A CD 1 +ATOM 883 N N . ILE A 1 118 ? -122.303 -33.924 -1.818 1.00 31.63 ? 118 ILE A N 1 +ATOM 884 C CA . ILE A 1 118 ? -121.168 -33.803 -2.717 1.00 31.33 ? 118 ILE A CA 1 +ATOM 885 C C . ILE A 1 118 ? -121.496 -33.729 -4.206 1.00 32.03 ? 118 ILE A C 1 +ATOM 886 O O . ILE A 1 118 ? -121.040 -32.815 -4.888 1.00 32.76 ? 118 ILE A O 1 +ATOM 887 C CB . ILE A 1 118 ? -120.134 -34.894 -2.387 1.00 31.37 ? 118 ILE A CB 1 +ATOM 888 C CG1 . ILE A 1 118 ? -119.621 -34.637 -0.966 1.00 30.68 ? 118 ILE A CG1 1 +ATOM 889 C CG2 . ILE A 1 118 ? -118.975 -34.862 -3.367 1.00 28.88 ? 118 ILE A CG2 1 +ATOM 890 C CD1 . ILE A 1 118 ? -118.830 -35.743 -0.367 1.00 33.23 ? 118 ILE A CD1 1 +ATOM 891 N N . PRO A 1 119 ? -122.281 -34.670 -4.744 1.00 31.76 ? 119 PRO A N 1 +ATOM 892 C CA . PRO A 1 119 ? -122.540 -34.496 -6.175 1.00 31.67 ? 119 PRO A CA 1 +ATOM 893 C C . PRO A 1 119 ? -123.348 -33.224 -6.475 1.00 32.48 ? 119 PRO A C 1 +ATOM 894 O O . PRO A 1 119 ? -123.266 -32.671 -7.565 1.00 34.00 ? 119 PRO A O 1 +ATOM 895 C CB . PRO A 1 119 ? -123.273 -35.782 -6.558 1.00 30.44 ? 119 PRO A CB 1 +ATOM 896 C CG . PRO A 1 119 ? -123.838 -36.271 -5.273 1.00 31.52 ? 119 PRO A CG 1 +ATOM 897 C CD . PRO A 1 119 ? -122.755 -35.982 -4.284 1.00 30.95 ? 119 PRO A CD 1 +ATOM 898 N N . SER A 1 120 ? -124.112 -32.749 -5.496 1.00 33.50 ? 120 SER A N 1 +ATOM 899 C CA . SER A 1 120 ? -124.914 -31.535 -5.656 1.00 34.30 ? 120 SER A CA 1 +ATOM 900 C C . SER A 1 120 ? -124.050 -30.290 -5.733 1.00 34.07 ? 120 SER A C 1 +ATOM 901 O O . SER A 1 120 ? -124.329 -29.378 -6.505 1.00 35.38 ? 120 SER A O 1 +ATOM 902 C CB . SER A 1 120 ? -125.885 -31.376 -4.495 1.00 33.59 ? 120 SER A CB 1 +ATOM 903 O OG . SER A 1 120 ? -126.850 -32.406 -4.520 1.00 38.63 ? 120 SER A OG 1 +ATOM 904 N N . ALA A 1 121 ? -123.005 -30.252 -4.918 1.00 33.52 ? 121 ALA A N 1 +ATOM 905 C CA . ALA A 1 121 ? -122.101 -29.118 -4.900 1.00 33.19 ? 121 ALA A CA 1 +ATOM 906 C C . ALA A 1 121 ? -121.315 -29.052 -6.206 1.00 33.00 ? 121 ALA A C 1 +ATOM 907 O O . ALA A 1 121 ? -121.244 -28.004 -6.841 1.00 33.56 ? 121 ALA A O 1 +ATOM 908 C CB . ALA A 1 121 ? -121.149 -29.232 -3.714 1.00 31.18 ? 121 ALA A CB 1 +ATOM 909 N N . ILE A 1 122 ? -120.732 -30.178 -6.600 1.00 31.49 ? 122 ILE A N 1 +ATOM 910 C CA . ILE A 1 122 ? -119.939 -30.247 -7.816 1.00 30.41 ? 122 ILE A CA 1 +ATOM 911 C C . ILE A 1 122 ? -120.733 -29.808 -9.039 1.00 31.98 ? 122 ILE A C 1 +ATOM 912 O O . ILE A 1 122 ? -120.258 -29.022 -9.847 1.00 32.34 ? 122 ILE A O 1 +ATOM 913 C CB . ILE A 1 122 ? -119.414 -31.677 -8.051 1.00 28.54 ? 122 ILE A CB 1 +ATOM 914 C CG1 . ILE A 1 122 ? -118.500 -32.084 -6.896 1.00 27.32 ? 122 ILE A CG1 1 +ATOM 915 C CG2 . ILE A 1 122 ? -118.669 -31.751 -9.370 1.00 25.93 ? 122 ILE A CG2 1 +ATOM 916 C CD1 . ILE A 1 122 ? -118.113 -33.547 -6.901 1.00 24.61 ? 122 ILE A CD1 1 +ATOM 917 N N . ALA A 1 123 ? -121.952 -30.310 -9.164 1.00 32.84 ? 123 ALA A N 1 +ATOM 918 C CA . ALA A 1 123 ? -122.788 -29.975 -10.307 1.00 33.18 ? 123 ALA A CA 1 +ATOM 919 C C . ALA A 1 123 ? -123.245 -28.518 -10.329 1.00 34.01 ? 123 ALA A C 1 +ATOM 920 O O . ALA A 1 123 ? -123.620 -28.000 -11.379 1.00 35.22 ? 123 ALA A O 1 +ATOM 921 C CB . ALA A 1 123 ? -123.996 -30.900 -10.347 1.00 31.11 ? 123 ALA A CB 1 +ATOM 922 N N . ALA A 1 124 ? -123.213 -27.853 -9.180 1.00 33.49 ? 124 ALA A N 1 +ATOM 923 C CA . ALA A 1 124 ? -123.647 -26.465 -9.102 1.00 33.92 ? 124 ALA A CA 1 +ATOM 924 C C . ALA A 1 124 ? -122.485 -25.481 -9.010 1.00 34.99 ? 124 ALA A C 1 +ATOM 925 O O . ALA A 1 124 ? -122.693 -24.286 -8.785 1.00 36.57 ? 124 ALA A O 1 +ATOM 926 C CB . ALA A 1 124 ? -124.573 -26.282 -7.912 1.00 33.18 ? 124 ALA A CB 1 +ATOM 927 N N . ASN A 1 125 ? -121.266 -25.981 -9.189 1.00 34.25 ? 125 ASN A N 1 +ATOM 928 C CA . ASN A 1 125 ? -120.083 -25.134 -9.121 1.00 33.92 ? 125 ASN A CA 1 +ATOM 929 C C . ASN A 1 125 ? -119.970 -24.398 -7.795 1.00 34.57 ? 125 ASN A C 1 +ATOM 930 O O . ASN A 1 125 ? -119.631 -23.218 -7.767 1.00 35.14 ? 125 ASN A O 1 +ATOM 931 C CB . ASN A 1 125 ? -120.097 -24.111 -10.256 1.00 32.53 ? 125 ASN A CB 1 +ATOM 932 C CG . ASN A 1 125 ? -119.238 -24.524 -11.422 1.00 32.49 ? 125 ASN A CG 1 +ATOM 933 O OD1 . ASN A 1 125 ? -118.014 -24.536 -11.330 1.00 31.11 ? 125 ASN A OD1 1 +ATOM 934 N ND2 . ASN A 1 125 ? -119.875 -24.869 -12.531 1.00 30.19 ? 125 ASN A ND2 1 +ATOM 935 N N . SER A 1 126 ? -120.255 -25.082 -6.695 1.00 34.87 ? 126 SER A N 1 +ATOM 936 C CA . SER A 1 126 ? -120.154 -24.439 -5.390 1.00 36.06 ? 126 SER A CA 1 +ATOM 937 C C . SER A 1 126 ? -119.505 -25.350 -4.374 1.00 35.73 ? 126 SER A C 1 +ATOM 938 O O . SER A 1 126 ? -119.161 -26.493 -4.670 1.00 34.92 ? 126 SER A O 1 +ATOM 939 C CB . SER A 1 126 ? -121.533 -24.027 -4.874 1.00 37.20 ? 126 SER A CB 1 +ATOM 940 O OG . SER A 1 126 ? -122.306 -25.159 -4.518 1.00 38.50 ? 126 SER A OG 1 +ATOM 941 N N . GLY A 1 127 ? -119.328 -24.823 -3.170 1.00 35.22 ? 127 GLY A N 1 +ATOM 942 C CA . GLY A 1 127 ? -118.745 -25.605 -2.103 1.00 35.11 ? 127 GLY A CA 1 +ATOM 943 C C . GLY A 1 127 ? -119.862 -26.179 -1.253 1.00 35.32 ? 127 GLY A C 1 +ATOM 944 O O . GLY A 1 127 ? -121.032 -26.186 -1.651 1.00 34.22 ? 127 GLY A O 1 +ATOM 945 N N . ILE A 1 128 ? -119.500 -26.673 -0.077 1.00 35.01 ? 128 ILE A N 1 +ATOM 946 C CA . ILE A 1 128 ? -120.475 -27.234 0.840 1.00 34.31 ? 128 ILE A CA 1 +ATOM 947 C C . ILE A 1 128 ? -120.772 -26.176 1.895 1.00 34.64 ? 128 ILE A C 1 +ATOM 948 O O . ILE A 1 128 ? -119.854 -25.564 2.442 1.00 35.27 ? 128 ILE A O 1 +ATOM 949 C CB . ILE A 1 128 ? -119.921 -28.499 1.524 1.00 34.36 ? 128 ILE A CB 1 +ATOM 950 C CG1 . ILE A 1 128 ? -119.647 -29.577 0.472 1.00 33.16 ? 128 ILE A CG1 1 +ATOM 951 C CG2 . ILE A 1 128 ? -120.902 -28.997 2.577 1.00 33.66 ? 128 ILE A CG2 1 +ATOM 952 C CD1 . ILE A 1 128 ? -120.884 -30.080 -0.239 1.00 33.23 ? 128 ILE A CD1 1 +ATOM 953 N N . TYR A 1 129 ? -122.051 -25.951 2.171 1.00 34.28 ? 129 TYR A N 1 +ATOM 954 C CA . TYR A 1 129 ? -122.432 -24.958 3.167 1.00 34.92 ? 129 TYR A CA 1 +ATOM 955 C C . TYR A 1 129 ? -123.861 -25.181 3.663 1.00 36.22 ? 129 TYR A C 1 +ATOM 956 O O . TYR A 1 129 ? -124.614 -25.939 3.011 1.00 36.70 ? 129 TYR A O 1 +ATOM 957 C CB . TYR A 1 129 ? -122.296 -23.558 2.567 1.00 34.30 ? 129 TYR A CB 1 +ATOM 958 C CG . TYR A 1 129 ? -123.232 -23.319 1.408 1.00 35.39 ? 129 TYR A CG 1 +ATOM 959 C CD1 . TYR A 1 129 ? -124.521 -22.830 1.621 1.00 35.31 ? 129 TYR A CD1 1 +ATOM 960 C CD2 . TYR A 1 129 ? -122.854 -23.638 0.105 1.00 34.92 ? 129 TYR A CD2 1 +ATOM 961 C CE1 . TYR A 1 129 ? -125.412 -22.670 0.567 1.00 35.47 ? 129 TYR A CE1 1 +ATOM 962 C CE2 . TYR A 1 129 ? -123.738 -23.483 -0.956 1.00 36.56 ? 129 TYR A CE2 1 +ATOM 963 C CZ . TYR A 1 129 ? -125.018 -22.999 -0.718 1.00 37.33 ? 129 TYR A CZ 1 +ATOM 964 O OH . TYR A 1 129 ? -125.911 -22.856 -1.761 1.00 40.35 ? 129 TYR A OH 1 +ATOM 965 O OXT . TYR A 1 129 ? -124.213 -24.583 4.701 1.00 37.79 ? 129 TYR A OXT 1 +ATOM 966 N N . ALA B 1 1 ? -129.126 -22.584 -1.434 1.00 68.37 ? 1 ALA B N 1 +ATOM 967 C CA . ALA B 1 1 ? -129.631 -23.959 -1.095 1.00 67.56 ? 1 ALA B CA 1 +ATOM 968 C C . ALA B 1 1 ? -128.605 -24.705 -0.228 1.00 65.91 ? 1 ALA B C 1 +ATOM 969 O O . ALA B 1 1 ? -127.730 -25.417 -0.771 1.00 66.69 ? 1 ALA B O 1 +ATOM 970 C CB . ALA B 1 1 ? -129.905 -24.766 -2.397 1.00 67.19 ? 1 ALA B CB 1 +ATOM 971 N N . SER B 1 2 ? -128.698 -24.534 1.099 1.00 61.24 ? 2 SER B N 1 +ATOM 972 C CA . SER B 1 2 ? -127.779 -25.205 2.023 1.00 56.77 ? 2 SER B CA 1 +ATOM 973 C C . SER B 1 2 ? -127.725 -26.704 1.697 1.00 53.53 ? 2 SER B C 1 +ATOM 974 O O . SER B 1 2 ? -128.751 -27.392 1.739 1.00 54.20 ? 2 SER B O 1 +ATOM 975 C CB . SER B 1 2 ? -128.246 -25.006 3.471 1.00 56.88 ? 2 SER B CB 1 +ATOM 976 O OG . SER B 1 2 ? -127.427 -25.735 4.379 1.00 56.97 ? 2 SER B OG 1 +ATOM 977 N N . ASN B 1 3 ? -126.539 -27.208 1.368 1.00 47.85 ? 3 ASN B N 1 +ATOM 978 C CA . ASN B 1 3 ? -126.398 -28.618 1.027 1.00 43.64 ? 3 ASN B CA 1 +ATOM 979 C C . ASN B 1 3 ? -125.665 -29.429 2.088 1.00 41.49 ? 3 ASN B C 1 +ATOM 980 O O . ASN B 1 3 ? -125.478 -30.631 1.929 1.00 41.68 ? 3 ASN B O 1 +ATOM 981 C CB . ASN B 1 3 ? -125.676 -28.772 -0.321 1.00 44.49 ? 3 ASN B CB 1 +ATOM 982 C CG . ASN B 1 3 ? -124.393 -27.942 -0.408 1.00 45.13 ? 3 ASN B CG 1 +ATOM 983 O OD1 . ASN B 1 3 ? -123.659 -27.796 0.572 1.00 45.02 ? 3 ASN B OD1 1 +ATOM 984 N ND2 . ASN B 1 3 ? -124.113 -27.405 -1.595 1.00 46.52 ? 3 ASN B ND2 1 +ATOM 985 N N . PHE B 1 4 ? -125.249 -28.779 3.168 1.00 38.49 ? 4 PHE B N 1 +ATOM 986 C CA . PHE B 1 4 ? -124.523 -29.468 4.224 1.00 35.50 ? 4 PHE B CA 1 +ATOM 987 C C . PHE B 1 4 ? -125.489 -30.195 5.148 1.00 35.18 ? 4 PHE B C 1 +ATOM 988 O O . PHE B 1 4 ? -125.734 -29.773 6.277 1.00 34.71 ? 4 PHE B O 1 +ATOM 989 C CB . PHE B 1 4 ? -123.677 -28.468 5.014 1.00 33.21 ? 4 PHE B CB 1 +ATOM 990 C CG . PHE B 1 4 ? -122.693 -29.108 5.955 1.00 32.49 ? 4 PHE B CG 1 +ATOM 991 C CD1 . PHE B 1 4 ? -122.291 -30.432 5.779 1.00 32.45 ? 4 PHE B CD1 1 +ATOM 992 C CD2 . PHE B 1 4 ? -122.131 -28.372 6.993 1.00 32.29 ? 4 PHE B CD2 1 +ATOM 993 C CE1 . PHE B 1 4 ? -121.346 -31.005 6.620 1.00 31.36 ? 4 PHE B CE1 1 +ATOM 994 C CE2 . PHE B 1 4 ? -121.181 -28.940 7.840 1.00 31.66 ? 4 PHE B CE2 1 +ATOM 995 C CZ . PHE B 1 4 ? -120.789 -30.258 7.651 1.00 31.02 ? 4 PHE B CZ 1 +ATOM 996 N N . THR B 1 5 ? -126.030 -31.303 4.658 1.00 34.91 ? 5 THR B N 1 +ATOM 997 C CA . THR B 1 5 ? -126.978 -32.081 5.433 1.00 34.93 ? 5 THR B CA 1 +ATOM 998 C C . THR B 1 5 ? -126.623 -33.552 5.527 1.00 34.28 ? 5 THR B C 1 +ATOM 999 O O . THR B 1 5 ? -125.759 -34.065 4.825 1.00 36.15 ? 5 THR B O 1 +ATOM 1000 C CB . THR B 1 5 ? -128.392 -32.005 4.837 1.00 34.53 ? 5 THR B CB 1 +ATOM 1001 O OG1 . THR B 1 5 ? -128.410 -32.680 3.576 1.00 34.78 ? 5 THR B OG1 1 +ATOM 1002 C CG2 . THR B 1 5 ? -128.806 -30.565 4.625 1.00 36.14 ? 5 THR B CG2 1 +ATOM 1003 N N . GLN B 1 6 ? -127.337 -34.216 6.415 1.00 33.78 ? 6 GLN B N 1 +ATOM 1004 C CA . GLN B 1 6 ? -127.213 -35.629 6.675 1.00 32.90 ? 6 GLN B CA 1 +ATOM 1005 C C . GLN B 1 6 ? -127.624 -36.417 5.425 1.00 31.32 ? 6 GLN B C 1 +ATOM 1006 O O . GLN B 1 6 ? -128.500 -35.991 4.676 1.00 31.04 ? 6 GLN B O 1 +ATOM 1007 C CB . GLN B 1 6 ? -128.134 -35.925 7.848 1.00 36.47 ? 6 GLN B CB 1 +ATOM 1008 C CG . GLN B 1 6 ? -128.427 -37.354 8.134 1.00 45.55 ? 6 GLN B CG 1 +ATOM 1009 C CD . GLN B 1 6 ? -129.480 -37.478 9.224 1.00 50.32 ? 6 GLN B CD 1 +ATOM 1010 O OE1 . GLN B 1 6 ? -130.606 -36.981 9.070 1.00 52.07 ? 6 GLN B OE1 1 +ATOM 1011 N NE2 . GLN B 1 6 ? -129.119 -38.128 10.341 1.00 52.36 ? 6 GLN B NE2 1 +ATOM 1012 N N . PHE B 1 7 ? -126.981 -37.554 5.179 1.00 28.92 ? 7 PHE B N 1 +ATOM 1013 C CA . PHE B 1 7 ? -127.327 -38.372 4.022 1.00 27.46 ? 7 PHE B CA 1 +ATOM 1014 C C . PHE B 1 7 ? -126.965 -39.836 4.230 1.00 27.58 ? 7 PHE B C 1 +ATOM 1015 O O . PHE B 1 7 ? -126.190 -40.171 5.120 1.00 27.28 ? 7 PHE B O 1 +ATOM 1016 C CB . PHE B 1 7 ? -126.673 -37.816 2.742 1.00 26.95 ? 7 PHE B CB 1 +ATOM 1017 C CG . PHE B 1 7 ? -125.175 -37.971 2.676 1.00 26.52 ? 7 PHE B CG 1 +ATOM 1018 C CD1 . PHE B 1 7 ? -124.334 -37.041 3.278 1.00 26.55 ? 7 PHE B CD1 1 +ATOM 1019 C CD2 . PHE B 1 7 ? -124.602 -39.027 1.973 1.00 26.41 ? 7 PHE B CD2 1 +ATOM 1020 C CE1 . PHE B 1 7 ? -122.949 -37.158 3.178 1.00 25.57 ? 7 PHE B CE1 1 +ATOM 1021 C CE2 . PHE B 1 7 ? -123.216 -39.149 1.868 1.00 25.98 ? 7 PHE B CE2 1 +ATOM 1022 C CZ . PHE B 1 7 ? -122.392 -38.212 2.473 1.00 25.47 ? 7 PHE B CZ 1 +ATOM 1023 N N . VAL B 1 8 ? -127.554 -40.711 3.426 1.00 26.53 ? 8 VAL B N 1 +ATOM 1024 C CA . VAL B 1 8 ? -127.288 -42.139 3.537 1.00 27.48 ? 8 VAL B CA 1 +ATOM 1025 C C . VAL B 1 8 ? -126.041 -42.492 2.731 1.00 28.34 ? 8 VAL B C 1 +ATOM 1026 O O . VAL B 1 8 ? -126.021 -42.358 1.512 1.00 29.26 ? 8 VAL B O 1 +ATOM 1027 C CB . VAL B 1 8 ? -128.500 -42.972 3.030 1.00 27.22 ? 8 VAL B CB 1 +ATOM 1028 C CG1 . VAL B 1 8 ? -128.208 -44.463 3.129 1.00 26.39 ? 8 VAL B CG1 1 +ATOM 1029 C CG2 . VAL B 1 8 ? -129.722 -42.633 3.842 1.00 24.28 ? 8 VAL B CG2 1 +ATOM 1030 N N . LEU B 1 9 ? -124.998 -42.931 3.426 1.00 28.43 ? 9 LEU B N 1 +ATOM 1031 C CA . LEU B 1 9 ? -123.747 -43.297 2.782 1.00 29.33 ? 9 LEU B CA 1 +ATOM 1032 C C . LEU B 1 9 ? -123.815 -44.734 2.277 1.00 30.80 ? 9 LEU B C 1 +ATOM 1033 O O . LEU B 1 9 ? -123.486 -45.009 1.131 1.00 30.77 ? 9 LEU B O 1 +ATOM 1034 C CB . LEU B 1 9 ? -122.584 -43.137 3.764 1.00 27.20 ? 9 LEU B CB 1 +ATOM 1035 C CG . LEU B 1 9 ? -121.186 -43.376 3.198 1.00 27.47 ? 9 LEU B CG 1 +ATOM 1036 C CD1 . LEU B 1 9 ? -120.867 -42.311 2.168 1.00 25.58 ? 9 LEU B CD1 1 +ATOM 1037 C CD2 . LEU B 1 9 ? -120.172 -43.361 4.315 1.00 24.66 ? 9 LEU B CD2 1 +ATOM 1038 N N . VAL B 1 10 ? -124.238 -45.647 3.144 1.00 32.13 ? 10 VAL B N 1 +ATOM 1039 C CA . VAL B 1 10 ? -124.362 -47.054 2.778 1.00 33.87 ? 10 VAL B CA 1 +ATOM 1040 C C . VAL B 1 10 ? -125.834 -47.430 2.786 1.00 36.34 ? 10 VAL B C 1 +ATOM 1041 O O . VAL B 1 10 ? -126.479 -47.459 3.830 1.00 35.71 ? 10 VAL B O 1 +ATOM 1042 C CB . VAL B 1 10 ? -123.618 -47.983 3.763 1.00 33.21 ? 10 VAL B CB 1 +ATOM 1043 C CG1 . VAL B 1 10 ? -123.826 -49.435 3.370 1.00 30.05 ? 10 VAL B CG1 1 +ATOM 1044 C CG2 . VAL B 1 10 ? -122.149 -47.650 3.779 1.00 31.83 ? 10 VAL B CG2 1 +ATOM 1045 N N . ASP B 1 11 ? -126.360 -47.714 1.604 1.00 40.33 ? 11 ASP B N 1 +ATOM 1046 C CA . ASP B 1 11 ? -127.756 -48.084 1.465 1.00 44.69 ? 11 ASP B CA 1 +ATOM 1047 C C . ASP B 1 11 ? -127.971 -49.596 1.456 1.00 46.88 ? 11 ASP B C 1 +ATOM 1048 O O . ASP B 1 11 ? -127.594 -50.287 0.506 1.00 45.57 ? 11 ASP B O 1 +ATOM 1049 C CB . ASP B 1 11 ? -128.325 -47.458 0.189 1.00 46.52 ? 11 ASP B CB 1 +ATOM 1050 C CG . ASP B 1 11 ? -129.754 -47.894 -0.098 1.00 49.00 ? 11 ASP B CG 1 +ATOM 1051 O OD1 . ASP B 1 11 ? -130.510 -48.178 0.865 1.00 51.34 ? 11 ASP B OD1 1 +ATOM 1052 O OD2 . ASP B 1 11 ? -130.122 -47.931 -1.294 1.00 50.91 ? 11 ASP B OD2 1 +ATOM 1053 N N . ASN B 1 12 ? -128.558 -50.099 2.540 1.00 51.20 ? 12 ASN B N 1 +ATOM 1054 C CA . ASN B 1 12 ? -128.866 -51.521 2.665 1.00 56.50 ? 12 ASN B CA 1 +ATOM 1055 C C . ASN B 1 12 ? -130.382 -51.723 2.539 1.00 59.76 ? 12 ASN B C 1 +ATOM 1056 O O . ASN B 1 12 ? -130.981 -52.581 3.205 1.00 61.03 ? 12 ASN B O 1 +ATOM 1057 C CB . ASN B 1 12 ? -128.366 -52.069 4.003 1.00 55.82 ? 12 ASN B CB 1 +ATOM 1058 C CG . ASN B 1 12 ? -126.866 -52.276 4.009 1.00 57.92 ? 12 ASN B CG 1 +ATOM 1059 O OD1 . ASN B 1 12 ? -126.306 -52.848 3.060 1.00 58.09 ? 12 ASN B OD1 1 +ATOM 1060 N ND2 . ASN B 1 12 ? -126.200 -51.825 5.076 1.00 57.58 ? 12 ASN B ND2 1 +ATOM 1061 N N . GLY B 1 13 ? -130.994 -50.911 1.678 1.00 62.41 ? 13 GLY B N 1 +ATOM 1062 C CA . GLY B 1 13 ? -132.423 -50.999 1.458 1.00 65.39 ? 13 GLY B CA 1 +ATOM 1063 C C . GLY B 1 13 ? -133.265 -50.839 2.714 1.00 67.55 ? 13 GLY B C 1 +ATOM 1064 O O . GLY B 1 13 ? -134.025 -51.749 3.072 1.00 69.21 ? 13 GLY B O 1 +ATOM 1065 N N . GLY B 1 14 ? -133.132 -49.693 3.387 1.00 68.46 ? 14 GLY B N 1 +ATOM 1066 C CA . GLY B 1 14 ? -133.924 -49.429 4.584 1.00 68.71 ? 14 GLY B CA 1 +ATOM 1067 C C . GLY B 1 14 ? -133.461 -50.062 5.892 1.00 69.03 ? 14 GLY B C 1 +ATOM 1068 O O . GLY B 1 14 ? -133.399 -49.380 6.929 1.00 69.22 ? 14 GLY B O 1 +ATOM 1069 N N . THR B 1 15 ? -133.141 -51.357 5.875 1.00 68.58 ? 15 THR B N 1 +ATOM 1070 C CA . THR B 1 15 ? -132.699 -51.997 7.109 1.00 68.76 ? 15 THR B CA 1 +ATOM 1071 C C . THR B 1 15 ? -131.165 -52.152 7.180 1.00 67.44 ? 15 THR B C 1 +ATOM 1072 O O . THR B 1 15 ? -130.536 -52.825 6.330 1.00 67.74 ? 15 THR B O 1 +ATOM 1073 C CB . THR B 1 15 ? -133.419 -53.373 7.310 1.00 70.67 ? 15 THR B CB 1 +ATOM 1074 O OG1 . THR B 1 15 ? -133.785 -53.503 8.695 1.00 70.83 ? 15 THR B OG1 1 +ATOM 1075 C CG2 . THR B 1 15 ? -132.510 -54.577 6.883 1.00 69.87 ? 15 THR B CG2 1 +ATOM 1076 N N . GLY B 1 16 ? -130.569 -51.511 8.190 1.00 64.13 ? 16 GLY B N 1 +ATOM 1077 C CA . GLY B 1 16 ? -129.122 -51.565 8.353 1.00 58.68 ? 16 GLY B CA 1 +ATOM 1078 C C . GLY B 1 16 ? -128.404 -50.484 7.550 1.00 54.73 ? 16 GLY B C 1 +ATOM 1079 O O . GLY B 1 16 ? -127.213 -50.603 7.253 1.00 54.38 ? 16 GLY B O 1 +ATOM 1080 N N . ASP B 1 17 ? -129.135 -49.436 7.180 1.00 50.45 ? 17 ASP B N 1 +ATOM 1081 C CA . ASP B 1 17 ? -128.558 -48.327 6.424 1.00 45.81 ? 17 ASP B CA 1 +ATOM 1082 C C . ASP B 1 17 ? -127.581 -47.568 7.309 1.00 43.01 ? 17 ASP B C 1 +ATOM 1083 O O . ASP B 1 17 ? -127.760 -47.495 8.527 1.00 43.50 ? 17 ASP B O 1 +ATOM 1084 C CB . ASP B 1 17 ? -129.653 -47.358 5.967 1.00 45.34 ? 17 ASP B CB 1 +ATOM 1085 C CG . ASP B 1 17 ? -130.514 -47.923 4.854 1.00 47.24 ? 17 ASP B CG 1 +ATOM 1086 O OD1 . ASP B 1 17 ? -130.348 -49.118 4.502 1.00 46.60 ? 17 ASP B OD1 1 +ATOM 1087 O OD2 . ASP B 1 17 ? -131.360 -47.163 4.328 1.00 48.70 ? 17 ASP B OD2 1 +ATOM 1088 N N . VAL B 1 18 ? -126.538 -47.016 6.699 1.00 38.52 ? 18 VAL B N 1 +ATOM 1089 C CA . VAL B 1 18 ? -125.575 -46.235 7.448 1.00 34.62 ? 18 VAL B CA 1 +ATOM 1090 C C . VAL B 1 18 ? -125.771 -44.780 7.055 1.00 34.23 ? 18 VAL B C 1 +ATOM 1091 O O . VAL B 1 18 ? -125.588 -44.403 5.903 1.00 32.95 ? 18 VAL B O 1 +ATOM 1092 C CB . VAL B 1 18 ? -124.122 -46.649 7.147 1.00 33.61 ? 18 VAL B CB 1 +ATOM 1093 C CG1 . VAL B 1 18 ? -123.165 -45.748 7.896 1.00 31.82 ? 18 VAL B CG1 1 +ATOM 1094 C CG2 . VAL B 1 18 ? -123.895 -48.083 7.555 1.00 30.39 ? 18 VAL B CG2 1 +ATOM 1095 N N . THR B 1 19 ? -126.181 -43.974 8.024 1.00 34.39 ? 19 THR B N 1 +ATOM 1096 C CA . THR B 1 19 ? -126.390 -42.558 7.805 1.00 32.68 ? 19 THR B CA 1 +ATOM 1097 C C . THR B 1 19 ? -125.187 -41.815 8.342 1.00 32.08 ? 19 THR B C 1 +ATOM 1098 O O . THR B 1 19 ? -124.581 -42.210 9.329 1.00 32.24 ? 19 THR B O 1 +ATOM 1099 C CB . THR B 1 19 ? -127.661 -42.078 8.507 1.00 33.72 ? 19 THR B CB 1 +ATOM 1100 O OG1 . THR B 1 19 ? -128.790 -42.454 7.717 1.00 37.07 ? 19 THR B OG1 1 +ATOM 1101 C CG2 . THR B 1 19 ? -127.655 -40.573 8.681 1.00 35.39 ? 19 THR B CG2 1 +ATOM 1102 N N . VAL B 1 20 ? -124.850 -40.726 7.679 1.00 31.65 ? 20 VAL B N 1 +ATOM 1103 C CA . VAL B 1 20 ? -123.704 -39.930 8.049 1.00 30.52 ? 20 VAL B CA 1 +ATOM 1104 C C . VAL B 1 20 ? -124.223 -38.500 8.241 1.00 30.79 ? 20 VAL B C 1 +ATOM 1105 O O . VAL B 1 20 ? -124.986 -37.992 7.423 1.00 31.74 ? 20 VAL B O 1 +ATOM 1106 C CB . VAL B 1 20 ? -122.648 -40.086 6.926 1.00 30.36 ? 20 VAL B CB 1 +ATOM 1107 C CG1 . VAL B 1 20 ? -122.351 -38.782 6.273 1.00 31.45 ? 20 VAL B CG1 1 +ATOM 1108 C CG2 . VAL B 1 20 ? -121.416 -40.752 7.475 1.00 30.18 ? 20 VAL B CG2 1 +ATOM 1109 N N . ALA B 1 21 ? -123.838 -37.859 9.339 1.00 30.51 ? 21 ALA B N 1 +ATOM 1110 C CA . ALA B 1 21 ? -124.329 -36.515 9.636 1.00 30.22 ? 21 ALA B CA 1 +ATOM 1111 C C . ALA B 1 21 ? -123.247 -35.473 9.862 1.00 29.86 ? 21 ALA B C 1 +ATOM 1112 O O . ALA B 1 21 ? -122.149 -35.801 10.299 1.00 30.32 ? 21 ALA B O 1 +ATOM 1113 C CB . ALA B 1 21 ? -125.241 -36.572 10.851 1.00 28.32 ? 21 ALA B CB 1 +ATOM 1114 N N . PRO B 1 22 ? -123.550 -34.192 9.569 1.00 29.86 ? 22 PRO B N 1 +ATOM 1115 C CA . PRO B 1 22 ? -122.605 -33.082 9.741 1.00 29.55 ? 22 PRO B CA 1 +ATOM 1116 C C . PRO B 1 22 ? -121.975 -33.116 11.133 1.00 30.11 ? 22 PRO B C 1 +ATOM 1117 O O . PRO B 1 22 ? -122.681 -33.195 12.135 1.00 30.83 ? 22 PRO B O 1 +ATOM 1118 C CB . PRO B 1 22 ? -123.484 -31.856 9.531 1.00 28.58 ? 22 PRO B CB 1 +ATOM 1119 C CG . PRO B 1 22 ? -124.470 -32.331 8.539 1.00 27.16 ? 22 PRO B CG 1 +ATOM 1120 C CD . PRO B 1 22 ? -124.838 -33.694 9.057 1.00 27.97 ? 22 PRO B CD 1 +ATOM 1121 N N . SER B 1 23 ? -120.650 -33.054 11.195 1.00 30.06 ? 23 SER B N 1 +ATOM 1122 C CA . SER B 1 23 ? -119.963 -33.114 12.476 1.00 31.28 ? 23 SER B CA 1 +ATOM 1123 C C . SER B 1 23 ? -118.864 -32.079 12.679 1.00 32.47 ? 23 SER B C 1 +ATOM 1124 O O . SER B 1 23 ? -118.350 -31.933 13.783 1.00 33.28 ? 23 SER B O 1 +ATOM 1125 C CB . SER B 1 23 ? -119.387 -34.515 12.689 1.00 29.70 ? 23 SER B CB 1 +ATOM 1126 O OG . SER B 1 23 ? -118.540 -34.888 11.620 1.00 30.21 ? 23 SER B OG 1 +ATOM 1127 N N . ASN B 1 24 ? -118.490 -31.364 11.628 1.00 33.59 ? 24 ASN B N 1 +ATOM 1128 C CA . ASN B 1 24 ? -117.452 -30.358 11.767 1.00 35.40 ? 24 ASN B CA 1 +ATOM 1129 C C . ASN B 1 24 ? -117.384 -29.489 10.525 1.00 37.03 ? 24 ASN B C 1 +ATOM 1130 O O . ASN B 1 24 ? -117.683 -29.951 9.430 1.00 37.19 ? 24 ASN B O 1 +ATOM 1131 C CB . ASN B 1 24 ? -116.102 -31.030 12.004 1.00 34.59 ? 24 ASN B CB 1 +ATOM 1132 C CG . ASN B 1 24 ? -115.094 -30.100 12.641 1.00 34.87 ? 24 ASN B CG 1 +ATOM 1133 O OD1 . ASN B 1 24 ? -115.334 -28.903 12.771 1.00 37.70 ? 24 ASN B OD1 1 +ATOM 1134 N ND2 . ASN B 1 24 ? -113.959 -30.645 13.040 1.00 32.58 ? 24 ASN B ND2 1 +ATOM 1135 N N . PHE B 1 25 ? -117.004 -28.226 10.696 1.00 39.23 ? 25 PHE B N 1 +ATOM 1136 C CA . PHE B 1 25 ? -116.900 -27.315 9.562 1.00 42.69 ? 25 PHE B CA 1 +ATOM 1137 C C . PHE B 1 25 ? -115.681 -26.401 9.696 1.00 42.68 ? 25 PHE B C 1 +ATOM 1138 O O . PHE B 1 25 ? -115.616 -25.334 9.078 1.00 45.17 ? 25 PHE B O 1 +ATOM 1139 C CB . PHE B 1 25 ? -118.170 -26.464 9.437 1.00 46.09 ? 25 PHE B CB 1 +ATOM 1140 C CG . PHE B 1 25 ? -118.371 -25.864 8.065 1.00 50.79 ? 25 PHE B CG 1 +ATOM 1141 C CD1 . PHE B 1 25 ? -118.077 -26.597 6.914 1.00 52.36 ? 25 PHE B CD1 1 +ATOM 1142 C CD2 . PHE B 1 25 ? -118.890 -24.573 7.921 1.00 54.42 ? 25 PHE B CD2 1 +ATOM 1143 C CE1 . PHE B 1 25 ? -118.297 -26.058 5.625 1.00 54.38 ? 25 PHE B CE1 1 +ATOM 1144 C CE2 . PHE B 1 25 ? -119.116 -24.018 6.638 1.00 56.22 ? 25 PHE B CE2 1 +ATOM 1145 C CZ . PHE B 1 25 ? -118.817 -24.770 5.489 1.00 54.89 ? 25 PHE B CZ 1 +ATOM 1146 N N . ALA B 1 26 ? -114.716 -26.826 10.500 1.00 41.86 ? 26 ALA B N 1 +ATOM 1147 C CA . ALA B 1 26 ? -113.507 -26.046 10.712 1.00 42.98 ? 26 ALA B CA 1 +ATOM 1148 C C . ALA B 1 26 ? -112.679 -25.880 9.440 1.00 44.04 ? 26 ALA B C 1 +ATOM 1149 O O . ALA B 1 26 ? -112.342 -26.860 8.779 1.00 44.59 ? 26 ALA B O 1 +ATOM 1150 C CB . ALA B 1 26 ? -112.656 -26.694 11.797 1.00 41.53 ? 26 ALA B CB 1 +ATOM 1151 N N . ASN B 1 27 ? -112.358 -24.629 9.111 1.00 45.78 ? 27 ASN B N 1 +ATOM 1152 C CA . ASN B 1 27 ? -111.544 -24.294 7.947 1.00 46.80 ? 27 ASN B CA 1 +ATOM 1153 C C . ASN B 1 27 ? -112.141 -24.562 6.583 1.00 46.67 ? 27 ASN B C 1 +ATOM 1154 O O . ASN B 1 27 ? -111.407 -24.820 5.631 1.00 46.80 ? 27 ASN B O 1 +ATOM 1155 C CB . ASN B 1 27 ? -110.206 -25.013 8.038 1.00 48.97 ? 27 ASN B CB 1 +ATOM 1156 C CG . ASN B 1 27 ? -109.263 -24.339 8.997 1.00 53.60 ? 27 ASN B CG 1 +ATOM 1157 O OD1 . ASN B 1 27 ? -108.775 -23.222 8.725 1.00 55.82 ? 27 ASN B OD1 1 +ATOM 1158 N ND2 . ASN B 1 27 ? -108.999 -24.996 10.137 1.00 52.62 ? 27 ASN B ND2 1 +ATOM 1159 N N . GLY B 1 28 ? -113.460 -24.491 6.472 1.00 47.07 ? 28 GLY B N 1 +ATOM 1160 C CA . GLY B 1 28 ? -114.083 -24.750 5.187 1.00 47.66 ? 28 GLY B CA 1 +ATOM 1161 C C . GLY B 1 28 ? -114.132 -26.229 4.812 1.00 46.68 ? 28 GLY B C 1 +ATOM 1162 O O . GLY B 1 28 ? -114.677 -26.589 3.760 1.00 49.53 ? 28 GLY B O 1 +ATOM 1163 N N . VAL B 1 29 ? -113.555 -27.091 5.647 1.00 41.86 ? 29 VAL B N 1 +ATOM 1164 C CA . VAL B 1 29 ? -113.586 -28.521 5.381 1.00 36.73 ? 29 VAL B CA 1 +ATOM 1165 C C . VAL B 1 29 ? -114.820 -29.116 6.057 1.00 35.30 ? 29 VAL B C 1 +ATOM 1166 O O . VAL B 1 29 ? -114.896 -29.174 7.278 1.00 36.07 ? 29 VAL B O 1 +ATOM 1167 C CB . VAL B 1 29 ? -112.336 -29.217 5.925 1.00 34.60 ? 29 VAL B CB 1 +ATOM 1168 C CG1 . VAL B 1 29 ? -112.398 -30.704 5.631 1.00 32.41 ? 29 VAL B CG1 1 +ATOM 1169 C CG2 . VAL B 1 29 ? -111.110 -28.604 5.308 1.00 32.48 ? 29 VAL B CG2 1 +ATOM 1170 N N . ALA B 1 30 ? -115.794 -29.541 5.261 1.00 32.37 ? 30 ALA B N 1 +ATOM 1171 C CA . ALA B 1 30 ? -117.010 -30.128 5.804 1.00 31.26 ? 30 ALA B CA 1 +ATOM 1172 C C . ALA B 1 30 ? -116.762 -31.578 6.182 1.00 31.67 ? 30 ALA B C 1 +ATOM 1173 O O . ALA B 1 30 ? -116.103 -32.312 5.457 1.00 32.22 ? 30 ALA B O 1 +ATOM 1174 C CB . ALA B 1 30 ? -118.131 -30.044 4.788 1.00 29.50 ? 30 ALA B CB 1 +ATOM 1175 N N . GLU B 1 31 ? -117.291 -31.985 7.328 1.00 31.31 ? 31 GLU B N 1 +ATOM 1176 C CA . GLU B 1 31 ? -117.134 -33.348 7.800 1.00 29.99 ? 31 GLU B CA 1 +ATOM 1177 C C . GLU B 1 31 ? -118.473 -33.966 8.188 1.00 29.99 ? 31 GLU B C 1 +ATOM 1178 O O . GLU B 1 31 ? -119.361 -33.291 8.694 1.00 29.25 ? 31 GLU B O 1 +ATOM 1179 C CB . GLU B 1 31 ? -116.183 -33.390 8.999 1.00 29.06 ? 31 GLU B CB 1 +ATOM 1180 C CG . GLU B 1 31 ? -116.132 -34.741 9.681 1.00 31.01 ? 31 GLU B CG 1 +ATOM 1181 C CD . GLU B 1 31 ? -115.275 -34.747 10.927 1.00 33.05 ? 31 GLU B CD 1 +ATOM 1182 O OE1 . GLU B 1 31 ? -114.048 -34.950 10.812 1.00 32.71 ? 31 GLU B OE1 1 +ATOM 1183 O OE2 . GLU B 1 31 ? -115.832 -34.539 12.026 1.00 34.33 ? 31 GLU B OE2 1 +ATOM 1184 N N . TRP B 1 32 ? -118.597 -35.261 7.931 1.00 28.98 ? 32 TRP B N 1 +ATOM 1185 C CA . TRP B 1 32 ? -119.787 -36.034 8.247 1.00 28.33 ? 32 TRP B CA 1 +ATOM 1186 C C . TRP B 1 32 ? -119.283 -37.314 8.897 1.00 29.18 ? 32 TRP B C 1 +ATOM 1187 O O . TRP B 1 32 ? -118.294 -37.874 8.438 1.00 29.49 ? 32 TRP B O 1 +ATOM 1188 C CB . TRP B 1 32 ? -120.510 -36.454 6.972 1.00 26.90 ? 32 TRP B CB 1 +ATOM 1189 C CG . TRP B 1 32 ? -121.246 -35.415 6.204 1.00 28.02 ? 32 TRP B CG 1 +ATOM 1190 C CD1 . TRP B 1 32 ? -122.573 -35.117 6.296 1.00 27.66 ? 32 TRP B CD1 1 +ATOM 1191 C CD2 . TRP B 1 32 ? -120.731 -34.616 5.133 1.00 28.24 ? 32 TRP B CD2 1 +ATOM 1192 N NE1 . TRP B 1 32 ? -122.919 -34.190 5.346 1.00 28.02 ? 32 TRP B NE1 1 +ATOM 1193 C CE2 . TRP B 1 32 ? -121.807 -33.864 4.617 1.00 27.78 ? 32 TRP B CE2 1 +ATOM 1194 C CE3 . TRP B 1 32 ? -119.463 -34.464 4.557 1.00 27.53 ? 32 TRP B CE3 1 +ATOM 1195 C CZ2 . TRP B 1 32 ? -121.658 -32.978 3.554 1.00 29.03 ? 32 TRP B CZ2 1 +ATOM 1196 C CZ3 . TRP B 1 32 ? -119.314 -33.581 3.501 1.00 28.55 ? 32 TRP B CZ3 1 +ATOM 1197 C CH2 . TRP B 1 32 ? -120.406 -32.850 3.009 1.00 30.00 ? 32 TRP B CH2 1 +ATOM 1198 N N . ILE B 1 33 ? -119.929 -37.777 9.962 1.00 29.09 ? 33 ILE B N 1 +ATOM 1199 C CA . ILE B 1 33 ? -119.532 -39.048 10.565 1.00 30.52 ? 33 ILE B CA 1 +ATOM 1200 C C . ILE B 1 33 ? -120.767 -39.827 10.963 1.00 31.05 ? 33 ILE B C 1 +ATOM 1201 O O . ILE B 1 33 ? -121.840 -39.256 11.138 1.00 31.08 ? 33 ILE B O 1 +ATOM 1202 C CB . ILE B 1 33 ? -118.672 -38.919 11.844 1.00 30.19 ? 33 ILE B CB 1 +ATOM 1203 C CG1 . ILE B 1 33 ? -119.406 -38.079 12.873 1.00 30.48 ? 33 ILE B CG1 1 +ATOM 1204 C CG2 . ILE B 1 33 ? -117.307 -38.398 11.519 1.00 30.20 ? 33 ILE B CG2 1 +ATOM 1205 C CD1 . ILE B 1 33 ? -118.854 -38.247 14.254 1.00 34.66 ? 33 ILE B CD1 1 +ATOM 1206 N N . SER B 1 34 ? -120.609 -41.137 11.099 1.00 30.65 ? 34 SER B N 1 +ATOM 1207 C CA . SER B 1 34 ? -121.709 -41.980 11.517 1.00 30.09 ? 34 SER B CA 1 +ATOM 1208 C C . SER B 1 34 ? -121.752 -41.950 13.041 1.00 31.33 ? 34 SER B C 1 +ATOM 1209 O O . SER B 1 34 ? -120.846 -41.432 13.691 1.00 30.26 ? 34 SER B O 1 +ATOM 1210 C CB . SER B 1 34 ? -121.514 -43.407 11.015 1.00 29.23 ? 34 SER B CB 1 +ATOM 1211 O OG . SER B 1 34 ? -120.324 -43.970 11.521 1.00 29.31 ? 34 SER B OG 1 +ATOM 1212 N N . SER B 1 35 ? -122.811 -42.503 13.607 1.00 33.62 ? 35 SER B N 1 +ATOM 1213 C CA . SER B 1 35 ? -122.978 -42.529 15.047 1.00 36.02 ? 35 SER B CA 1 +ATOM 1214 C C . SER B 1 35 ? -122.152 -43.660 15.662 1.00 35.77 ? 35 SER B C 1 +ATOM 1215 O O . SER B 1 35 ? -122.683 -44.697 16.040 1.00 37.47 ? 35 SER B O 1 +ATOM 1216 C CB . SER B 1 35 ? -124.456 -42.707 15.368 1.00 35.95 ? 35 SER B CB 1 +ATOM 1217 O OG . SER B 1 35 ? -124.706 -42.386 16.720 1.00 44.25 ? 35 SER B OG 1 +ATOM 1218 N N . ASN B 1 36 ? -120.847 -43.441 15.761 1.00 35.27 ? 36 ASN B N 1 +ATOM 1219 C CA . ASN B 1 36 ? -119.918 -44.432 16.292 1.00 33.94 ? 36 ASN B CA 1 +ATOM 1220 C C . ASN B 1 36 ? -118.789 -43.722 17.015 1.00 33.95 ? 36 ASN B C 1 +ATOM 1221 O O . ASN B 1 36 ? -118.749 -42.495 17.075 1.00 35.86 ? 36 ASN B O 1 +ATOM 1222 C CB . ASN B 1 36 ? -119.284 -45.226 15.146 1.00 33.96 ? 36 ASN B CB 1 +ATOM 1223 C CG . ASN B 1 36 ? -120.246 -46.158 14.463 1.00 34.38 ? 36 ASN B CG 1 +ATOM 1224 O OD1 . ASN B 1 36 ? -120.579 -47.208 14.994 1.00 36.97 ? 36 ASN B OD1 1 +ATOM 1225 N ND2 . ASN B 1 36 ? -120.694 -45.785 13.275 1.00 32.74 ? 36 ASN B ND2 1 +ATOM 1226 N N . SER B 1 37 ? -117.866 -44.505 17.565 1.00 32.97 ? 37 SER B N 1 +ATOM 1227 C CA . SER B 1 37 ? -116.693 -43.935 18.206 1.00 32.08 ? 37 SER B CA 1 +ATOM 1228 C C . SER B 1 37 ? -115.906 -43.496 16.973 1.00 32.49 ? 37 SER B C 1 +ATOM 1229 O O . SER B 1 37 ? -116.108 -44.048 15.892 1.00 31.81 ? 37 SER B O 1 +ATOM 1230 C CB . SER B 1 37 ? -115.924 -45.011 18.963 1.00 31.36 ? 37 SER B CB 1 +ATOM 1231 O OG . SER B 1 37 ? -115.487 -46.024 18.083 1.00 30.44 ? 37 SER B OG 1 +ATOM 1232 N N . ARG B 1 38 ? -115.015 -42.527 17.099 1.00 30.88 ? 38 ARG B N 1 +ATOM 1233 C CA . ARG B 1 38 ? -114.300 -42.095 15.913 1.00 31.86 ? 38 ARG B CA 1 +ATOM 1234 C C . ARG B 1 38 ? -113.359 -43.135 15.339 1.00 31.81 ? 38 ARG B C 1 +ATOM 1235 O O . ARG B 1 38 ? -112.963 -43.045 14.180 1.00 33.07 ? 38 ARG B O 1 +ATOM 1236 C CB . ARG B 1 38 ? -113.596 -40.766 16.177 1.00 30.73 ? 38 ARG B CB 1 +ATOM 1237 C CG . ARG B 1 38 ? -114.633 -39.691 16.434 1.00 34.65 ? 38 ARG B CG 1 +ATOM 1238 C CD . ARG B 1 38 ? -114.150 -38.297 16.214 1.00 35.27 ? 38 ARG B CD 1 +ATOM 1239 N NE . ARG B 1 38 ? -114.000 -37.945 14.807 1.00 37.06 ? 38 ARG B NE 1 +ATOM 1240 C CZ . ARG B 1 38 ? -114.718 -37.013 14.185 1.00 35.39 ? 38 ARG B CZ 1 +ATOM 1241 N NH1 . ARG B 1 38 ? -115.654 -36.342 14.834 1.00 34.63 ? 38 ARG B NH1 1 +ATOM 1242 N NH2 . ARG B 1 38 ? -114.461 -36.723 12.919 1.00 36.86 ? 38 ARG B NH2 1 +ATOM 1243 N N . SER B 1 39 ? -113.034 -44.147 16.133 1.00 31.14 ? 39 SER B N 1 +ATOM 1244 C CA . SER B 1 39 ? -112.149 -45.200 15.668 1.00 30.62 ? 39 SER B CA 1 +ATOM 1245 C C . SER B 1 39 ? -112.893 -46.198 14.789 1.00 31.22 ? 39 SER B C 1 +ATOM 1246 O O . SER B 1 39 ? -112.277 -46.889 13.989 1.00 32.06 ? 39 SER B O 1 +ATOM 1247 C CB . SER B 1 39 ? -111.519 -45.931 16.854 1.00 30.58 ? 39 SER B CB 1 +ATOM 1248 O OG . SER B 1 39 ? -112.481 -46.677 17.572 1.00 30.81 ? 39 SER B OG 1 +ATOM 1249 N N . GLN B 1 40 ? -114.215 -46.273 14.934 1.00 30.96 ? 40 GLN B N 1 +ATOM 1250 C CA . GLN B 1 40 ? -115.018 -47.208 14.148 1.00 30.38 ? 40 GLN B CA 1 +ATOM 1251 C C . GLN B 1 40 ? -116.047 -46.538 13.248 1.00 30.46 ? 40 GLN B C 1 +ATOM 1252 O O . GLN B 1 40 ? -116.873 -47.212 12.638 1.00 31.46 ? 40 GLN B O 1 +ATOM 1253 C CB . GLN B 1 40 ? -115.753 -48.176 15.074 1.00 29.02 ? 40 GLN B CB 1 +ATOM 1254 C CG . GLN B 1 40 ? -114.851 -48.972 15.973 1.00 30.34 ? 40 GLN B CG 1 +ATOM 1255 C CD . GLN B 1 40 ? -115.605 -49.994 16.781 1.00 31.52 ? 40 GLN B CD 1 +ATOM 1256 O OE1 . GLN B 1 40 ? -116.645 -49.693 17.364 1.00 31.22 ? 40 GLN B OE1 1 +ATOM 1257 N NE2 . GLN B 1 40 ? -115.080 -51.212 16.832 1.00 30.57 ? 40 GLN B NE2 1 +ATOM 1258 N N . ALA B 1 41 ? -115.988 -45.218 13.149 1.00 30.12 ? 41 ALA B N 1 +ATOM 1259 C CA . ALA B 1 41 ? -116.956 -44.481 12.358 1.00 29.32 ? 41 ALA B CA 1 +ATOM 1260 C C . ALA B 1 41 ? -116.706 -44.408 10.864 1.00 30.09 ? 41 ALA B C 1 +ATOM 1261 O O . ALA B 1 41 ? -115.607 -44.657 10.387 1.00 31.17 ? 41 ALA B O 1 +ATOM 1262 C CB . ALA B 1 41 ? -117.080 -43.073 12.907 1.00 27.65 ? 41 ALA B CB 1 +ATOM 1263 N N . TYR B 1 42 ? -117.768 -44.088 10.134 1.00 29.90 ? 42 TYR B N 1 +ATOM 1264 C CA . TYR B 1 42 ? -117.688 -43.872 8.704 1.00 28.99 ? 42 TYR B CA 1 +ATOM 1265 C C . TYR B 1 42 ? -117.471 -42.371 8.686 1.00 28.82 ? 42 TYR B C 1 +ATOM 1266 O O . TYR B 1 42 ? -118.218 -41.635 9.320 1.00 28.68 ? 42 TYR B O 1 +ATOM 1267 C CB . TYR B 1 42 ? -119.009 -44.169 8.008 1.00 29.60 ? 42 TYR B CB 1 +ATOM 1268 C CG . TYR B 1 42 ? -119.298 -45.623 7.758 1.00 31.33 ? 42 TYR B CG 1 +ATOM 1269 C CD1 . TYR B 1 42 ? -119.836 -46.436 8.757 1.00 31.66 ? 42 TYR B CD1 1 +ATOM 1270 C CD2 . TYR B 1 42 ? -119.067 -46.182 6.506 1.00 31.14 ? 42 TYR B CD2 1 +ATOM 1271 C CE1 . TYR B 1 42 ? -120.144 -47.767 8.507 1.00 32.31 ? 42 TYR B CE1 1 +ATOM 1272 C CE2 . TYR B 1 42 ? -119.366 -47.501 6.245 1.00 31.86 ? 42 TYR B CE2 1 +ATOM 1273 C CZ . TYR B 1 42 ? -119.906 -48.289 7.243 1.00 33.39 ? 42 TYR B CZ 1 +ATOM 1274 O OH . TYR B 1 42 ? -120.224 -49.593 6.957 1.00 37.36 ? 42 TYR B OH 1 +ATOM 1275 N N . LYS B 1 43 ? -116.445 -41.914 7.987 1.00 28.39 ? 43 LYS B N 1 +ATOM 1276 C CA . LYS B 1 43 ? -116.169 -40.492 7.933 1.00 27.93 ? 43 LYS B CA 1 +ATOM 1277 C C . LYS B 1 43 ? -116.082 -39.991 6.507 1.00 27.49 ? 43 LYS B C 1 +ATOM 1278 O O . LYS B 1 43 ? -115.568 -40.674 5.637 1.00 27.90 ? 43 LYS B O 1 +ATOM 1279 C CB . LYS B 1 43 ? -114.864 -40.177 8.673 1.00 28.04 ? 43 LYS B CB 1 +ATOM 1280 C CG . LYS B 1 43 ? -114.582 -38.698 8.755 1.00 31.20 ? 43 LYS B CG 1 +ATOM 1281 C CD . LYS B 1 43 ? -113.512 -38.353 9.760 1.00 33.34 ? 43 LYS B CD 1 +ATOM 1282 C CE . LYS B 1 43 ? -112.134 -38.476 9.182 1.00 34.46 ? 43 LYS B CE 1 +ATOM 1283 N NZ . LYS B 1 43 ? -111.126 -37.962 10.145 1.00 36.16 ? 43 LYS B NZ 1 +ATOM 1284 N N . VAL B 1 44 ? -116.603 -38.794 6.276 1.00 26.99 ? 44 VAL B N 1 +ATOM 1285 C CA . VAL B 1 44 ? -116.557 -38.181 4.957 1.00 27.47 ? 44 VAL B CA 1 +ATOM 1286 C C . VAL B 1 44 ? -116.168 -36.715 5.113 1.00 27.84 ? 44 VAL B C 1 +ATOM 1287 O O . VAL B 1 44 ? -116.706 -36.026 5.969 1.00 28.84 ? 44 VAL B O 1 +ATOM 1288 C CB . VAL B 1 44 ? -117.931 -38.241 4.243 1.00 27.37 ? 44 VAL B CB 1 +ATOM 1289 C CG1 . VAL B 1 44 ? -117.842 -37.570 2.888 1.00 25.50 ? 44 VAL B CG1 1 +ATOM 1290 C CG2 . VAL B 1 44 ? -118.382 -39.673 4.084 1.00 27.76 ? 44 VAL B CG2 1 +ATOM 1291 N N . THR B 1 45 ? -115.211 -36.254 4.314 1.00 27.55 ? 45 THR B N 1 +ATOM 1292 C CA . THR B 1 45 ? -114.808 -34.849 4.344 1.00 28.27 ? 45 THR B CA 1 +ATOM 1293 C C . THR B 1 45 ? -114.746 -34.335 2.912 1.00 29.21 ? 45 THR B C 1 +ATOM 1294 O O . THR B 1 45 ? -114.513 -35.097 1.979 1.00 29.63 ? 45 THR B O 1 +ATOM 1295 C CB . THR B 1 45 ? -113.438 -34.625 5.034 1.00 27.64 ? 45 THR B CB 1 +ATOM 1296 O OG1 . THR B 1 45 ? -112.428 -35.378 4.363 1.00 29.57 ? 45 THR B OG1 1 +ATOM 1297 C CG2 . THR B 1 45 ? -113.496 -35.035 6.487 1.00 26.43 ? 45 THR B CG2 1 +ATOM 1298 N N . CYS B 1 46 ? -114.970 -33.040 2.738 1.00 30.31 ? 46 CYS B N 1 +ATOM 1299 C CA . CYS B 1 46 ? -114.961 -32.446 1.411 1.00 30.90 ? 46 CYS B CA 1 +ATOM 1300 C C . CYS B 1 46 ? -114.608 -30.966 1.451 1.00 31.81 ? 46 CYS B C 1 +ATOM 1301 O O . CYS B 1 46 ? -115.031 -30.245 2.351 1.00 32.77 ? 46 CYS B O 1 +ATOM 1302 C CB . CYS B 1 46 ? -116.338 -32.623 0.773 1.00 30.62 ? 46 CYS B CB 1 +ATOM 1303 S SG . CYS B 1 46 ? -116.558 -31.802 -0.810 1.00 32.63 ? 46 CYS B SG 1 +ATOM 1304 N N . SER B 1 47 ? -113.826 -30.513 0.477 1.00 32.30 ? 47 SER B N 1 +ATOM 1305 C CA . SER B 1 47 ? -113.453 -29.104 0.402 1.00 32.38 ? 47 SER B CA 1 +ATOM 1306 C C . SER B 1 47 ? -113.154 -28.739 -1.042 1.00 33.03 ? 47 SER B C 1 +ATOM 1307 O O . SER B 1 47 ? -112.866 -29.610 -1.850 1.00 32.97 ? 47 SER B O 1 +ATOM 1308 C CB . SER B 1 47 ? -112.231 -28.819 1.276 1.00 30.67 ? 47 SER B CB 1 +ATOM 1309 O OG . SER B 1 47 ? -111.087 -29.499 0.801 1.00 31.97 ? 47 SER B OG 1 +ATOM 1310 N N . VAL B 1 48 ? -113.250 -27.452 -1.363 1.00 34.46 ? 48 VAL B N 1 +ATOM 1311 C CA . VAL B 1 48 ? -112.972 -26.968 -2.713 1.00 35.44 ? 48 VAL B CA 1 +ATOM 1312 C C . VAL B 1 48 ? -112.004 -25.808 -2.622 1.00 36.78 ? 48 VAL B C 1 +ATOM 1313 O O . VAL B 1 48 ? -112.016 -25.056 -1.651 1.00 38.48 ? 48 VAL B O 1 +ATOM 1314 C CB . VAL B 1 48 ? -114.214 -26.398 -3.431 1.00 34.62 ? 48 VAL B CB 1 +ATOM 1315 C CG1 . VAL B 1 48 ? -114.117 -26.676 -4.921 1.00 31.84 ? 48 VAL B CG1 1 +ATOM 1316 C CG2 . VAL B 1 48 ? -115.473 -26.946 -2.834 1.00 37.51 ? 48 VAL B CG2 1 +ATOM 1317 N N . ARG B 1 49 ? -111.182 -25.653 -3.649 1.00 36.85 ? 49 ARG B N 1 +ATOM 1318 C CA . ARG B 1 49 ? -110.228 -24.560 -3.693 1.00 37.17 ? 49 ARG B CA 1 +ATOM 1319 C C . ARG B 1 49 ? -109.831 -24.297 -5.133 1.00 39.34 ? 49 ARG B C 1 +ATOM 1320 O O . ARG B 1 49 ? -110.081 -25.107 -6.029 1.00 38.82 ? 49 ARG B O 1 +ATOM 1321 C CB . ARG B 1 49 ? -108.971 -24.901 -2.892 1.00 35.38 ? 49 ARG B CB 1 +ATOM 1322 C CG . ARG B 1 49 ? -108.164 -26.033 -3.484 1.00 34.58 ? 49 ARG B CG 1 +ATOM 1323 C CD . ARG B 1 49 ? -106.973 -26.357 -2.621 1.00 36.88 ? 49 ARG B CD 1 +ATOM 1324 N NE . ARG B 1 49 ? -106.285 -27.587 -3.024 1.00 41.85 ? 49 ARG B NE 1 +ATOM 1325 C CZ . ARG B 1 49 ? -106.787 -28.819 -2.911 1.00 43.42 ? 49 ARG B CZ 1 +ATOM 1326 N NH1 . ARG B 1 49 ? -108.007 -29.019 -2.408 1.00 43.24 ? 49 ARG B NH1 1 +ATOM 1327 N NH2 . ARG B 1 49 ? -106.056 -29.865 -3.279 1.00 42.34 ? 49 ARG B NH2 1 +ATOM 1328 N N . GLN B 1 50 ? -109.220 -23.142 -5.344 1.00 41.49 ? 50 GLN B N 1 +ATOM 1329 C CA . GLN B 1 50 ? -108.724 -22.749 -6.649 1.00 42.11 ? 50 GLN B CA 1 +ATOM 1330 C C . GLN B 1 50 ? -107.269 -23.210 -6.592 1.00 41.72 ? 50 GLN B C 1 +ATOM 1331 O O . GLN B 1 50 ? -106.427 -22.524 -6.023 1.00 41.69 ? 50 GLN B O 1 +ATOM 1332 C CB . GLN B 1 50 ? -108.805 -21.235 -6.772 1.00 44.29 ? 50 GLN B CB 1 +ATOM 1333 C CG . GLN B 1 50 ? -108.123 -20.663 -7.983 1.00 49.38 ? 50 GLN B CG 1 +ATOM 1334 C CD . GLN B 1 50 ? -109.106 -20.255 -9.050 1.00 51.65 ? 50 GLN B CD 1 +ATOM 1335 O OE1 . GLN B 1 50 ? -110.076 -19.544 -8.774 1.00 53.26 ? 50 GLN B OE1 1 +ATOM 1336 N NE2 . GLN B 1 50 ? -108.860 -20.694 -10.283 1.00 54.30 ? 50 GLN B NE2 1 +ATOM 1337 N N . SER B 1 51 ? -106.981 -24.379 -7.153 1.00 42.05 ? 51 SER B N 1 +ATOM 1338 C CA . SER B 1 51 ? -105.625 -24.924 -7.111 1.00 42.98 ? 51 SER B CA 1 +ATOM 1339 C C . SER B 1 51 ? -104.595 -24.088 -7.872 1.00 43.51 ? 51 SER B C 1 +ATOM 1340 O O . SER B 1 51 ? -103.442 -23.981 -7.457 1.00 44.86 ? 51 SER B O 1 +ATOM 1341 C CB . SER B 1 51 ? -105.620 -26.369 -7.633 1.00 42.87 ? 51 SER B CB 1 +ATOM 1342 O OG . SER B 1 51 ? -106.149 -26.461 -8.947 1.00 44.32 ? 51 SER B OG 1 +ATOM 1343 N N . SER B 1 52 ? -105.019 -23.503 -8.984 1.00 43.72 ? 52 SER B N 1 +ATOM 1344 C CA . SER B 1 52 ? -104.154 -22.670 -9.805 1.00 43.20 ? 52 SER B CA 1 +ATOM 1345 C C . SER B 1 52 ? -105.054 -21.705 -10.547 1.00 44.06 ? 52 SER B C 1 +ATOM 1346 O O . SER B 1 52 ? -106.257 -21.665 -10.310 1.00 44.07 ? 52 SER B O 1 +ATOM 1347 C CB . SER B 1 52 ? -103.375 -23.522 -10.806 1.00 42.80 ? 52 SER B CB 1 +ATOM 1348 O OG . SER B 1 52 ? -104.229 -24.017 -11.820 1.00 43.93 ? 52 SER B OG 1 +ATOM 1349 N N . ALA B 1 53 ? -104.480 -20.932 -11.459 1.00 44.93 ? 53 ALA B N 1 +ATOM 1350 C CA . ALA B 1 53 ? -105.260 -19.956 -12.204 1.00 45.28 ? 53 ALA B CA 1 +ATOM 1351 C C . ALA B 1 53 ? -106.240 -20.600 -13.174 1.00 46.18 ? 53 ALA B C 1 +ATOM 1352 O O . ALA B 1 53 ? -107.304 -20.046 -13.451 1.00 46.71 ? 53 ALA B O 1 +ATOM 1353 C CB . ALA B 1 53 ? -104.327 -19.024 -12.952 1.00 44.87 ? 53 ALA B CB 1 +ATOM 1354 N N . GLN B 1 54 ? -105.887 -21.778 -13.674 1.00 47.17 ? 54 GLN B N 1 +ATOM 1355 C CA . GLN B 1 54 ? -106.718 -22.485 -14.640 1.00 47.95 ? 54 GLN B CA 1 +ATOM 1356 C C . GLN B 1 54 ? -107.698 -23.501 -14.032 1.00 44.96 ? 54 GLN B C 1 +ATOM 1357 O O . GLN B 1 54 ? -108.708 -23.834 -14.656 1.00 43.81 ? 54 GLN B O 1 +ATOM 1358 C CB . GLN B 1 54 ? -105.801 -23.209 -15.640 1.00 54.55 ? 54 GLN B CB 1 +ATOM 1359 C CG . GLN B 1 54 ? -106.361 -23.378 -17.082 1.00 63.42 ? 54 GLN B CG 1 +ATOM 1360 C CD . GLN B 1 54 ? -106.180 -22.115 -17.980 1.00 67.42 ? 54 GLN B CD 1 +ATOM 1361 O OE1 . GLN B 1 54 ? -106.071 -22.231 -19.220 1.00 68.77 ? 54 GLN B OE1 1 +ATOM 1362 N NE2 . GLN B 1 54 ? -106.160 -20.916 -17.358 1.00 66.41 ? 54 GLN B NE2 1 +ATOM 1363 N N . ASN B 1 55 ? -107.414 -23.980 -12.819 1.00 41.43 ? 55 ASN B N 1 +ATOM 1364 C CA . ASN B 1 55 ? -108.252 -25.003 -12.196 1.00 38.08 ? 55 ASN B CA 1 +ATOM 1365 C C . ASN B 1 55 ? -108.814 -24.773 -10.799 1.00 36.54 ? 55 ASN B C 1 +ATOM 1366 O O . ASN B 1 55 ? -108.272 -24.021 -9.991 1.00 35.95 ? 55 ASN B O 1 +ATOM 1367 C CB . ASN B 1 55 ? -107.487 -26.331 -12.121 1.00 37.46 ? 55 ASN B CB 1 +ATOM 1368 C CG . ASN B 1 55 ? -106.987 -26.811 -13.462 1.00 37.66 ? 55 ASN B CG 1 +ATOM 1369 O OD1 . ASN B 1 55 ? -107.752 -26.964 -14.412 1.00 39.61 ? 55 ASN B OD1 1 +ATOM 1370 N ND2 . ASN B 1 55 ? -105.692 -27.072 -13.540 1.00 36.77 ? 55 ASN B ND2 1 +ATOM 1371 N N . ARG B 1 56 ? -109.917 -25.467 -10.534 1.00 34.20 ? 56 ARG B N 1 +ATOM 1372 C CA . ARG B 1 56 ? -110.548 -25.481 -9.225 1.00 32.77 ? 56 ARG B CA 1 +ATOM 1373 C C . ARG B 1 56 ? -110.362 -26.949 -8.858 1.00 32.03 ? 56 ARG B C 1 +ATOM 1374 O O . ARG B 1 56 ? -110.269 -27.799 -9.735 1.00 29.48 ? 56 ARG B O 1 +ATOM 1375 C CB . ARG B 1 56 ? -112.031 -25.141 -9.291 1.00 31.07 ? 56 ARG B CB 1 +ATOM 1376 C CG . ARG B 1 56 ? -112.363 -23.674 -9.047 1.00 32.37 ? 56 ARG B CG 1 +ATOM 1377 C CD . ARG B 1 56 ? -113.761 -23.568 -8.484 1.00 32.61 ? 56 ARG B CD 1 +ATOM 1378 N NE . ARG B 1 56 ? -114.613 -24.529 -9.164 1.00 35.69 ? 56 ARG B NE 1 +ATOM 1379 C CZ . ARG B 1 56 ? -115.658 -25.141 -8.627 1.00 35.88 ? 56 ARG B CZ 1 +ATOM 1380 N NH1 . ARG B 1 56 ? -116.016 -24.898 -7.374 1.00 35.64 ? 56 ARG B NH1 1 +ATOM 1381 N NH2 . ARG B 1 56 ? -116.333 -26.019 -9.349 1.00 36.39 ? 56 ARG B NH2 1 +ATOM 1382 N N . LYS B 1 57 ? -110.299 -27.263 -7.577 1.00 31.94 ? 57 LYS B N 1 +ATOM 1383 C CA . LYS B 1 57 ? -110.076 -28.645 -7.207 1.00 32.02 ? 57 LYS B CA 1 +ATOM 1384 C C . LYS B 1 57 ? -110.831 -29.097 -5.959 1.00 30.78 ? 57 LYS B C 1 +ATOM 1385 O O . LYS B 1 57 ? -110.781 -28.442 -4.922 1.00 31.82 ? 57 LYS B O 1 +ATOM 1386 C CB . LYS B 1 57 ? -108.568 -28.855 -7.032 1.00 32.96 ? 57 LYS B CB 1 +ATOM 1387 C CG . LYS B 1 57 ? -108.185 -30.229 -6.573 1.00 38.33 ? 57 LYS B CG 1 +ATOM 1388 C CD . LYS B 1 57 ? -106.707 -30.347 -6.251 1.00 40.30 ? 57 LYS B CD 1 +ATOM 1389 C CE . LYS B 1 57 ? -105.858 -30.442 -7.497 1.00 42.07 ? 57 LYS B CE 1 +ATOM 1390 N NZ . LYS B 1 57 ? -104.513 -31.015 -7.163 1.00 44.69 ? 57 LYS B NZ 1 +ATOM 1391 N N . TYR B 1 58 ? -111.542 -30.217 -6.077 1.00 29.42 ? 58 TYR B N 1 +ATOM 1392 C CA . TYR B 1 58 ? -112.287 -30.790 -4.955 1.00 28.13 ? 58 TYR B CA 1 +ATOM 1393 C C . TYR B 1 58 ? -111.472 -31.907 -4.318 1.00 28.19 ? 58 TYR B C 1 +ATOM 1394 O O . TYR B 1 58 ? -110.923 -32.750 -5.015 1.00 28.20 ? 58 TYR B O 1 +ATOM 1395 C CB . TYR B 1 58 ? -113.622 -31.398 -5.401 1.00 26.18 ? 58 TYR B CB 1 +ATOM 1396 C CG . TYR B 1 58 ? -114.729 -30.423 -5.707 1.00 26.53 ? 58 TYR B CG 1 +ATOM 1397 C CD1 . TYR B 1 58 ? -114.873 -29.877 -6.981 1.00 26.77 ? 58 TYR B CD1 1 +ATOM 1398 C CD2 . TYR B 1 58 ? -115.643 -30.052 -4.726 1.00 27.11 ? 58 TYR B CD2 1 +ATOM 1399 C CE1 . TYR B 1 58 ? -115.904 -28.985 -7.272 1.00 27.58 ? 58 TYR B CE1 1 +ATOM 1400 C CE2 . TYR B 1 58 ? -116.677 -29.161 -5.002 1.00 28.45 ? 58 TYR B CE2 1 +ATOM 1401 C CZ . TYR B 1 58 ? -116.802 -28.631 -6.276 1.00 29.81 ? 58 TYR B CZ 1 +ATOM 1402 O OH . TYR B 1 58 ? -117.811 -27.737 -6.548 1.00 29.81 ? 58 TYR B OH 1 +ATOM 1403 N N . THR B 1 59 ? -111.380 -31.901 -2.996 1.00 28.42 ? 59 THR B N 1 +ATOM 1404 C CA . THR B 1 59 ? -110.675 -32.960 -2.291 1.00 29.05 ? 59 THR B CA 1 +ATOM 1405 C C . THR B 1 59 ? -111.728 -33.633 -1.423 1.00 30.12 ? 59 THR B C 1 +ATOM 1406 O O . THR B 1 59 ? -112.353 -33.001 -0.573 1.00 31.35 ? 59 THR B O 1 +ATOM 1407 C CB . THR B 1 59 ? -109.528 -32.422 -1.420 1.00 29.00 ? 59 THR B CB 1 +ATOM 1408 O OG1 . THR B 1 59 ? -108.527 -31.849 -2.262 1.00 31.85 ? 59 THR B OG1 1 +ATOM 1409 C CG2 . THR B 1 59 ? -108.893 -33.538 -0.627 1.00 28.42 ? 59 THR B CG2 1 +ATOM 1410 N N . ILE B 1 60 ? -111.938 -34.919 -1.673 1.00 30.10 ? 60 ILE B N 1 +ATOM 1411 C CA . ILE B 1 60 ? -112.926 -35.704 -0.954 1.00 30.07 ? 60 ILE B CA 1 +ATOM 1412 C C . ILE B 1 60 ? -112.256 -36.910 -0.329 1.00 29.82 ? 60 ILE B C 1 +ATOM 1413 O O . ILE B 1 60 ? -111.553 -37.646 -1.003 1.00 31.12 ? 60 ILE B O 1 +ATOM 1414 C CB . ILE B 1 60 ? -114.018 -36.181 -1.918 1.00 29.97 ? 60 ILE B CB 1 +ATOM 1415 C CG1 . ILE B 1 60 ? -114.659 -34.966 -2.589 1.00 30.68 ? 60 ILE B CG1 1 +ATOM 1416 C CG2 . ILE B 1 60 ? -115.053 -36.999 -1.179 1.00 28.84 ? 60 ILE B CG2 1 +ATOM 1417 C CD1 . ILE B 1 60 ? -115.464 -35.297 -3.811 1.00 30.84 ? 60 ILE B CD1 1 +ATOM 1418 N N . LYS B 1 61 ? -112.456 -37.095 0.967 1.00 29.67 ? 61 LYS B N 1 +ATOM 1419 C CA . LYS B 1 61 ? -111.871 -38.232 1.656 1.00 29.56 ? 61 LYS B CA 1 +ATOM 1420 C C . LYS B 1 61 ? -112.948 -39.041 2.340 1.00 29.91 ? 61 LYS B C 1 +ATOM 1421 O O . LYS B 1 61 ? -113.907 -38.488 2.868 1.00 29.75 ? 61 LYS B O 1 +ATOM 1422 C CB . LYS B 1 61 ? -110.862 -37.776 2.697 1.00 29.46 ? 61 LYS B CB 1 +ATOM 1423 C CG . LYS B 1 61 ? -109.694 -37.033 2.125 1.00 33.67 ? 61 LYS B CG 1 +ATOM 1424 C CD . LYS B 1 61 ? -108.611 -36.891 3.160 1.00 37.02 ? 61 LYS B CD 1 +ATOM 1425 C CE . LYS B 1 61 ? -107.411 -36.167 2.595 1.00 39.66 ? 61 LYS B CE 1 +ATOM 1426 N NZ . LYS B 1 61 ? -106.211 -36.408 3.447 1.00 44.75 ? 61 LYS B NZ 1 +ATOM 1427 N N . VAL B 1 62 ? -112.787 -40.358 2.321 1.00 29.29 ? 62 VAL B N 1 +ATOM 1428 C CA . VAL B 1 62 ? -113.740 -41.245 2.960 1.00 28.88 ? 62 VAL B CA 1 +ATOM 1429 C C . VAL B 1 62 ? -112.997 -42.286 3.786 1.00 29.38 ? 62 VAL B C 1 +ATOM 1430 O O . VAL B 1 62 ? -111.954 -42.774 3.383 1.00 30.88 ? 62 VAL B O 1 +ATOM 1431 C CB . VAL B 1 62 ? -114.631 -41.960 1.919 1.00 27.87 ? 62 VAL B CB 1 +ATOM 1432 C CG1 . VAL B 1 62 ? -115.585 -42.902 2.614 1.00 26.23 ? 62 VAL B CG1 1 +ATOM 1433 C CG2 . VAL B 1 62 ? -115.412 -40.940 1.115 1.00 27.99 ? 62 VAL B CG2 1 +ATOM 1434 N N . GLU B 1 63 ? -113.522 -42.592 4.966 1.00 28.54 ? 63 GLU B N 1 +ATOM 1435 C CA . GLU B 1 63 ? -112.930 -43.600 5.830 1.00 28.31 ? 63 GLU B CA 1 +ATOM 1436 C C . GLU B 1 63 ? -114.013 -44.632 6.090 1.00 28.19 ? 63 GLU B C 1 +ATOM 1437 O O . GLU B 1 63 ? -115.103 -44.287 6.526 1.00 27.00 ? 63 GLU B O 1 +ATOM 1438 C CB . GLU B 1 63 ? -112.456 -42.982 7.143 1.00 29.60 ? 63 GLU B CB 1 +ATOM 1439 C CG . GLU B 1 63 ? -111.111 -42.280 7.045 1.00 32.39 ? 63 GLU B CG 1 +ATOM 1440 C CD . GLU B 1 63 ? -110.648 -41.688 8.370 1.00 36.01 ? 63 GLU B CD 1 +ATOM 1441 O OE1 . GLU B 1 63 ? -110.889 -42.310 9.428 1.00 37.51 ? 63 GLU B OE1 1 +ATOM 1442 O OE2 . GLU B 1 63 ? -110.025 -40.606 8.354 1.00 36.43 ? 63 GLU B OE2 1 +ATOM 1443 N N . VAL B 1 64 ? -113.720 -45.892 5.792 1.00 27.25 ? 64 VAL B N 1 +ATOM 1444 C CA . VAL B 1 64 ? -114.674 -46.977 5.990 1.00 27.53 ? 64 VAL B CA 1 +ATOM 1445 C C . VAL B 1 64 ? -114.111 -48.008 6.970 1.00 29.00 ? 64 VAL B C 1 +ATOM 1446 O O . VAL B 1 64 ? -112.984 -48.468 6.818 1.00 29.61 ? 64 VAL B O 1 +ATOM 1447 C CB . VAL B 1 64 ? -114.999 -47.672 4.651 1.00 27.28 ? 64 VAL B CB 1 +ATOM 1448 C CG1 . VAL B 1 64 ? -115.972 -48.806 4.872 1.00 26.14 ? 64 VAL B CG1 1 +ATOM 1449 C CG2 . VAL B 1 64 ? -115.575 -46.674 3.681 1.00 25.41 ? 64 VAL B CG2 1 +ATOM 1450 N N . PRO B 1 65 ? -114.897 -48.387 7.993 1.00 28.73 ? 65 PRO B N 1 +ATOM 1451 C CA . PRO B 1 65 ? -114.449 -49.365 8.986 1.00 27.49 ? 65 PRO B CA 1 +ATOM 1452 C C . PRO B 1 65 ? -114.513 -50.822 8.541 1.00 27.79 ? 65 PRO B C 1 +ATOM 1453 O O . PRO B 1 65 ? -115.356 -51.188 7.730 1.00 28.73 ? 65 PRO B O 1 +ATOM 1454 C CB . PRO B 1 65 ? -115.388 -49.101 10.153 1.00 27.01 ? 65 PRO B CB 1 +ATOM 1455 C CG . PRO B 1 65 ? -116.665 -48.783 9.459 1.00 26.33 ? 65 PRO B CG 1 +ATOM 1456 C CD . PRO B 1 65 ? -116.217 -47.841 8.364 1.00 26.97 ? 65 PRO B CD 1 +ATOM 1457 N N . LYS B 1 66 ? -113.606 -51.648 9.053 1.00 27.63 ? 66 LYS B N 1 +ATOM 1458 C CA . LYS B 1 66 ? -113.642 -53.071 8.749 1.00 28.83 ? 66 LYS B CA 1 +ATOM 1459 C C . LYS B 1 66 ? -114.690 -53.579 9.735 1.00 29.42 ? 66 LYS B C 1 +ATOM 1460 O O . LYS B 1 66 ? -114.567 -53.376 10.935 1.00 30.54 ? 66 LYS B O 1 +ATOM 1461 C CB . LYS B 1 66 ? -112.301 -53.749 9.023 1.00 28.06 ? 66 LYS B CB 1 +ATOM 1462 C CG . LYS B 1 66 ? -112.385 -55.259 8.921 1.00 28.45 ? 66 LYS B CG 1 +ATOM 1463 C CD . LYS B 1 66 ? -111.097 -55.942 9.304 1.00 28.17 ? 66 LYS B CD 1 +ATOM 1464 C CE . LYS B 1 66 ? -111.352 -57.385 9.721 1.00 28.05 ? 66 LYS B CE 1 +ATOM 1465 N NZ . LYS B 1 66 ? -112.087 -58.155 8.698 1.00 26.89 ? 66 LYS B NZ 1 +ATOM 1466 N N . VAL B 1 67 ? -115.723 -54.229 9.228 1.00 30.12 ? 67 VAL B N 1 +ATOM 1467 C CA . VAL B 1 67 ? -116.807 -54.692 10.075 1.00 29.71 ? 67 VAL B CA 1 +ATOM 1468 C C . VAL B 1 67 ? -116.762 -56.158 10.517 1.00 29.80 ? 67 VAL B C 1 +ATOM 1469 O O . VAL B 1 67 ? -117.197 -56.472 11.619 1.00 29.83 ? 67 VAL B O 1 +ATOM 1470 C CB . VAL B 1 67 ? -118.155 -54.370 9.384 1.00 29.50 ? 67 VAL B CB 1 +ATOM 1471 C CG1 . VAL B 1 67 ? -119.306 -54.973 10.142 1.00 30.66 ? 67 VAL B CG1 1 +ATOM 1472 C CG2 . VAL B 1 67 ? -118.326 -52.873 9.303 1.00 27.39 ? 67 VAL B CG2 1 +ATOM 1473 N N . ALA B 1 68 ? -116.236 -57.049 9.679 1.00 29.24 ? 68 ALA B N 1 +ATOM 1474 C CA . ALA B 1 68 ? -116.164 -58.464 10.037 1.00 27.95 ? 68 ALA B CA 1 +ATOM 1475 C C . ALA B 1 68 ? -115.302 -58.685 11.283 1.00 28.30 ? 68 ALA B C 1 +ATOM 1476 O O . ALA B 1 68 ? -114.158 -58.249 11.334 1.00 29.62 ? 68 ALA B O 1 +ATOM 1477 C CB . ALA B 1 68 ? -115.626 -59.270 8.875 1.00 25.02 ? 68 ALA B CB 1 +ATOM 1478 N N . THR B 1 69 ? -115.876 -59.374 12.270 1.00 27.56 ? 69 THR B N 1 +ATOM 1479 C CA . THR B 1 69 ? -115.252 -59.688 13.560 1.00 27.36 ? 69 THR B CA 1 +ATOM 1480 C C . THR B 1 69 ? -115.001 -58.454 14.417 1.00 27.92 ? 69 THR B C 1 +ATOM 1481 O O . THR B 1 69 ? -114.259 -58.495 15.391 1.00 30.97 ? 69 THR B O 1 +ATOM 1482 C CB . THR B 1 69 ? -113.923 -60.489 13.427 1.00 26.32 ? 69 THR B CB 1 +ATOM 1483 O OG1 . THR B 1 69 ? -112.867 -59.628 12.991 1.00 27.40 ? 69 THR B OG1 1 +ATOM 1484 C CG2 . THR B 1 69 ? -114.091 -61.638 12.459 1.00 23.50 ? 69 THR B CG2 1 +ATOM 1485 N N . GLN B 1 70 ? -115.643 -57.358 14.049 1.00 28.60 ? 70 GLN B N 1 +ATOM 1486 C CA . GLN B 1 70 ? -115.534 -56.102 14.768 1.00 30.59 ? 70 GLN B CA 1 +ATOM 1487 C C . GLN B 1 70 ? -116.191 -56.199 16.145 1.00 32.01 ? 70 GLN B C 1 +ATOM 1488 O O . GLN B 1 70 ? -117.217 -56.852 16.304 1.00 33.03 ? 70 GLN B O 1 +ATOM 1489 C CB . GLN B 1 70 ? -116.233 -55.015 13.957 1.00 30.55 ? 70 GLN B CB 1 +ATOM 1490 C CG . GLN B 1 70 ? -116.489 -53.726 14.697 1.00 33.84 ? 70 GLN B CG 1 +ATOM 1491 C CD . GLN B 1 70 ? -117.538 -52.865 14.013 1.00 37.41 ? 70 GLN B CD 1 +ATOM 1492 O OE1 . GLN B 1 70 ? -118.713 -53.240 13.924 1.00 38.56 ? 70 GLN B OE1 1 +ATOM 1493 N NE2 . GLN B 1 70 ? -117.117 -51.705 13.520 1.00 36.95 ? 70 GLN B NE2 1 +ATOM 1494 N N . THR B 1 71 ? -115.593 -55.557 17.143 1.00 33.10 ? 71 THR B N 1 +ATOM 1495 C CA . THR B 1 71 ? -116.162 -55.527 18.490 1.00 32.56 ? 71 THR B CA 1 +ATOM 1496 C C . THR B 1 71 ? -116.668 -54.094 18.681 1.00 32.43 ? 71 THR B C 1 +ATOM 1497 O O . THR B 1 71 ? -115.878 -53.173 18.885 1.00 31.80 ? 71 THR B O 1 +ATOM 1498 C CB . THR B 1 71 ? -115.105 -55.822 19.571 1.00 33.40 ? 71 THR B CB 1 +ATOM 1499 O OG1 . THR B 1 71 ? -114.529 -57.111 19.344 1.00 35.42 ? 71 THR B OG1 1 +ATOM 1500 C CG2 . THR B 1 71 ? -115.742 -55.795 20.948 1.00 32.42 ? 71 THR B CG2 1 +ATOM 1501 N N . VAL B 1 72 ? -117.980 -53.906 18.604 1.00 31.19 ? 72 VAL B N 1 +ATOM 1502 C CA . VAL B 1 72 ? -118.560 -52.575 18.732 1.00 30.67 ? 72 VAL B CA 1 +ATOM 1503 C C . VAL B 1 72 ? -118.175 -51.832 20.004 1.00 31.21 ? 72 VAL B C 1 +ATOM 1504 O O . VAL B 1 72 ? -118.433 -52.298 21.111 1.00 32.32 ? 72 VAL B O 1 +ATOM 1505 C CB . VAL B 1 72 ? -120.091 -52.630 18.641 1.00 29.38 ? 72 VAL B CB 1 +ATOM 1506 C CG1 . VAL B 1 72 ? -120.665 -51.224 18.668 1.00 26.95 ? 72 VAL B CG1 1 +ATOM 1507 C CG2 . VAL B 1 72 ? -120.496 -53.334 17.367 1.00 29.36 ? 72 VAL B CG2 1 +ATOM 1508 N N . GLY B 1 73 ? -117.556 -50.666 19.821 1.00 30.37 ? 73 GLY B N 1 +ATOM 1509 C CA . GLY B 1 73 ? -117.139 -49.844 20.939 1.00 29.33 ? 73 GLY B CA 1 +ATOM 1510 C C . GLY B 1 73 ? -115.833 -50.260 21.581 1.00 29.70 ? 73 GLY B C 1 +ATOM 1511 O O . GLY B 1 73 ? -115.410 -49.664 22.563 1.00 30.87 ? 73 GLY B O 1 +ATOM 1512 N N . GLY B 1 74 ? -115.183 -51.274 21.022 1.00 29.31 ? 74 GLY B N 1 +ATOM 1513 C CA . GLY B 1 74 ? -113.940 -51.752 21.592 1.00 29.19 ? 74 GLY B CA 1 +ATOM 1514 C C . GLY B 1 74 ? -112.688 -51.089 21.060 1.00 30.66 ? 74 GLY B C 1 +ATOM 1515 O O . GLY B 1 74 ? -112.737 -50.324 20.102 1.00 30.74 ? 74 GLY B O 1 +ATOM 1516 N N . VAL B 1 75 ? -111.562 -51.382 21.699 1.00 29.83 ? 75 VAL B N 1 +ATOM 1517 C CA . VAL B 1 75 ? -110.276 -50.833 21.298 1.00 30.25 ? 75 VAL B CA 1 +ATOM 1518 C C . VAL B 1 75 ? -109.620 -51.843 20.360 1.00 31.01 ? 75 VAL B C 1 +ATOM 1519 O O . VAL B 1 75 ? -109.196 -52.908 20.795 1.00 31.15 ? 75 VAL B O 1 +ATOM 1520 C CB . VAL B 1 75 ? -109.372 -50.595 22.531 1.00 29.94 ? 75 VAL B CB 1 +ATOM 1521 C CG1 . VAL B 1 75 ? -108.024 -50.052 22.102 1.00 26.87 ? 75 VAL B CG1 1 +ATOM 1522 C CG2 . VAL B 1 75 ? -110.050 -49.631 23.485 1.00 27.32 ? 75 VAL B CG2 1 +ATOM 1523 N N . GLU B 1 76 ? -109.541 -51.501 19.079 1.00 32.05 ? 76 GLU B N 1 +ATOM 1524 C CA . GLU B 1 76 ? -108.962 -52.388 18.074 1.00 32.50 ? 76 GLU B CA 1 +ATOM 1525 C C . GLU B 1 76 ? -107.661 -51.850 17.480 1.00 32.41 ? 76 GLU B C 1 +ATOM 1526 O O . GLU B 1 76 ? -107.659 -50.829 16.804 1.00 34.24 ? 76 GLU B O 1 +ATOM 1527 C CB . GLU B 1 76 ? -109.996 -52.625 16.967 1.00 32.63 ? 76 GLU B CB 1 +ATOM 1528 C CG . GLU B 1 76 ? -111.353 -53.037 17.524 1.00 35.84 ? 76 GLU B CG 1 +ATOM 1529 C CD . GLU B 1 76 ? -112.434 -53.225 16.474 1.00 37.95 ? 76 GLU B CD 1 +ATOM 1530 O OE1 . GLU B 1 76 ? -112.662 -52.302 15.665 1.00 37.22 ? 76 GLU B OE1 1 +ATOM 1531 O OE2 . GLU B 1 76 ? -113.071 -54.302 16.471 1.00 38.20 ? 76 GLU B OE2 1 +ATOM 1532 N N . LEU B 1 77 ? -106.556 -52.539 17.751 1.00 32.37 ? 77 LEU B N 1 +ATOM 1533 C CA . LEU B 1 77 ? -105.243 -52.146 17.240 1.00 32.03 ? 77 LEU B CA 1 +ATOM 1534 C C . LEU B 1 77 ? -104.638 -53.290 16.434 1.00 32.04 ? 77 LEU B C 1 +ATOM 1535 O O . LEU B 1 77 ? -104.938 -54.451 16.682 1.00 34.43 ? 77 LEU B O 1 +ATOM 1536 C CB . LEU B 1 77 ? -104.270 -51.809 18.382 1.00 31.68 ? 77 LEU B CB 1 +ATOM 1537 C CG . LEU B 1 77 ? -104.294 -50.526 19.219 1.00 30.83 ? 77 LEU B CG 1 +ATOM 1538 C CD1 . LEU B 1 77 ? -104.814 -49.357 18.397 1.00 30.43 ? 77 LEU B CD1 1 +ATOM 1539 C CD2 . LEU B 1 77 ? -105.129 -50.740 20.441 1.00 31.03 ? 77 LEU B CD2 1 +ATOM 1540 N N . PRO B 1 78 ? -103.799 -52.976 15.435 1.00 31.98 ? 78 PRO B N 1 +ATOM 1541 C CA . PRO B 1 78 ? -103.415 -51.618 15.042 1.00 31.21 ? 78 PRO B CA 1 +ATOM 1542 C C . PRO B 1 78 ? -104.528 -50.974 14.219 1.00 31.12 ? 78 PRO B C 1 +ATOM 1543 O O . PRO B 1 78 ? -105.305 -51.661 13.556 1.00 31.51 ? 78 PRO B O 1 +ATOM 1544 C CB . PRO B 1 78 ? -102.142 -51.845 14.233 1.00 29.65 ? 78 PRO B CB 1 +ATOM 1545 C CG . PRO B 1 78 ? -102.382 -53.173 13.608 1.00 29.28 ? 78 PRO B CG 1 +ATOM 1546 C CD . PRO B 1 78 ? -102.963 -53.973 14.740 1.00 30.82 ? 78 PRO B CD 1 +ATOM 1547 N N . VAL B 1 79 ? -104.598 -49.652 14.267 1.00 30.81 ? 79 VAL B N 1 +ATOM 1548 C CA . VAL B 1 79 ? -105.612 -48.908 13.544 1.00 30.77 ? 79 VAL B CA 1 +ATOM 1549 C C . VAL B 1 79 ? -105.618 -49.202 12.044 1.00 31.72 ? 79 VAL B C 1 +ATOM 1550 O O . VAL B 1 79 ? -106.677 -49.308 11.434 1.00 32.93 ? 79 VAL B O 1 +ATOM 1551 C CB . VAL B 1 79 ? -105.423 -47.390 13.788 1.00 29.85 ? 79 VAL B CB 1 +ATOM 1552 C CG1 . VAL B 1 79 ? -106.269 -46.579 12.835 1.00 29.80 ? 79 VAL B CG1 1 +ATOM 1553 C CG2 . VAL B 1 79 ? -105.799 -47.063 15.217 1.00 28.98 ? 79 VAL B CG2 1 +ATOM 1554 N N . ALA B 1 80 ? -104.433 -49.352 11.462 1.00 32.04 ? 80 ALA B N 1 +ATOM 1555 C CA . ALA B 1 80 ? -104.298 -49.608 10.030 1.00 31.62 ? 80 ALA B CA 1 +ATOM 1556 C C . ALA B 1 80 ? -104.939 -50.900 9.552 1.00 31.73 ? 80 ALA B C 1 +ATOM 1557 O O . ALA B 1 80 ? -105.226 -51.052 8.366 1.00 34.11 ? 80 ALA B O 1 +ATOM 1558 C CB . ALA B 1 80 ? -102.832 -49.600 9.647 1.00 31.00 ? 80 ALA B CB 1 +ATOM 1559 N N . ALA B 1 81 ? -105.152 -51.836 10.467 1.00 30.72 ? 81 ALA B N 1 +ATOM 1560 C CA . ALA B 1 81 ? -105.748 -53.115 10.109 1.00 28.90 ? 81 ALA B CA 1 +ATOM 1561 C C . ALA B 1 81 ? -107.266 -53.063 10.093 1.00 28.43 ? 81 ALA B C 1 +ATOM 1562 O O . ALA B 1 81 ? -107.906 -53.948 9.545 1.00 29.33 ? 81 ALA B O 1 +ATOM 1563 C CB . ALA B 1 81 ? -105.288 -54.189 11.078 1.00 24.98 ? 81 ALA B CB 1 +ATOM 1564 N N . TRP B 1 82 ? -107.840 -52.019 10.674 1.00 27.45 ? 82 TRP B N 1 +ATOM 1565 C CA . TRP B 1 82 ? -109.284 -51.920 10.754 1.00 26.69 ? 82 TRP B CA 1 +ATOM 1566 C C . TRP B 1 82 ? -109.942 -50.812 9.963 1.00 27.59 ? 82 TRP B C 1 +ATOM 1567 O O . TRP B 1 82 ? -111.123 -50.549 10.154 1.00 27.88 ? 82 TRP B O 1 +ATOM 1568 C CB . TRP B 1 82 ? -109.706 -51.779 12.213 1.00 25.81 ? 82 TRP B CB 1 +ATOM 1569 C CG . TRP B 1 82 ? -109.426 -52.987 13.032 1.00 26.31 ? 82 TRP B CG 1 +ATOM 1570 C CD1 . TRP B 1 82 ? -108.289 -53.265 13.730 1.00 25.15 ? 82 TRP B CD1 1 +ATOM 1571 C CD2 . TRP B 1 82 ? -110.294 -54.109 13.214 1.00 26.62 ? 82 TRP B CD2 1 +ATOM 1572 N NE1 . TRP B 1 82 ? -108.394 -54.491 14.334 1.00 26.34 ? 82 TRP B NE1 1 +ATOM 1573 C CE2 . TRP B 1 82 ? -109.616 -55.032 14.034 1.00 26.69 ? 82 TRP B CE2 1 +ATOM 1574 C CE3 . TRP B 1 82 ? -111.581 -54.426 12.757 1.00 26.45 ? 82 TRP B CE3 1 +ATOM 1575 C CZ2 . TRP B 1 82 ? -110.183 -56.252 14.413 1.00 26.45 ? 82 TRP B CZ2 1 +ATOM 1576 C CZ3 . TRP B 1 82 ? -112.142 -55.638 13.135 1.00 26.88 ? 82 TRP B CZ3 1 +ATOM 1577 C CH2 . TRP B 1 82 ? -111.443 -56.535 13.955 1.00 26.30 ? 82 TRP B CH2 1 +ATOM 1578 N N . ARG B 1 83 ? -109.203 -50.163 9.073 1.00 28.69 ? 83 ARG B N 1 +ATOM 1579 C CA . ARG B 1 83 ? -109.786 -49.070 8.313 1.00 27.89 ? 83 ARG B CA 1 +ATOM 1580 C C . ARG B 1 83 ? -109.297 -48.950 6.893 1.00 27.40 ? 83 ARG B C 1 +ATOM 1581 O O . ARG B 1 83 ? -108.136 -49.206 6.603 1.00 28.96 ? 83 ARG B O 1 +ATOM 1582 C CB . ARG B 1 83 ? -109.552 -47.754 9.056 1.00 28.66 ? 83 ARG B CB 1 +ATOM 1583 C CG . ARG B 1 83 ? -110.146 -47.778 10.448 1.00 31.50 ? 83 ARG B CG 1 +ATOM 1584 C CD . ARG B 1 83 ? -110.054 -46.461 11.152 1.00 34.56 ? 83 ARG B CD 1 +ATOM 1585 N NE . ARG B 1 83 ? -110.970 -45.444 10.637 1.00 34.26 ? 83 ARG B NE 1 +ATOM 1586 C CZ . ARG B 1 83 ? -112.295 -45.532 10.654 1.00 32.84 ? 83 ARG B CZ 1 +ATOM 1587 N NH1 . ARG B 1 83 ? -112.894 -46.601 11.152 1.00 32.00 ? 83 ARG B NH1 1 +ATOM 1588 N NH2 . ARG B 1 83 ? -113.021 -44.522 10.204 1.00 34.18 ? 83 ARG B NH2 1 +ATOM 1589 N N . SER B 1 84 ? -110.211 -48.575 6.007 1.00 25.90 ? 84 SER B N 1 +ATOM 1590 C CA . SER B 1 84 ? -109.901 -48.372 4.601 1.00 25.82 ? 84 SER B CA 1 +ATOM 1591 C C . SER B 1 84 ? -109.993 -46.879 4.343 1.00 25.80 ? 84 SER B C 1 +ATOM 1592 O O . SER B 1 84 ? -110.848 -46.201 4.894 1.00 24.47 ? 84 SER B O 1 +ATOM 1593 C CB . SER B 1 84 ? -110.891 -49.116 3.710 1.00 23.60 ? 84 SER B CB 1 +ATOM 1594 O OG . SER B 1 84 ? -110.697 -50.510 3.805 1.00 28.09 ? 84 SER B OG 1 +ATOM 1595 N N . TYR B 1 85 ? -109.100 -46.366 3.509 1.00 26.60 ? 85 TYR B N 1 +ATOM 1596 C CA . TYR B 1 85 ? -109.094 -44.950 3.203 1.00 27.31 ? 85 TYR B CA 1 +ATOM 1597 C C . TYR B 1 85 ? -109.269 -44.659 1.723 1.00 28.64 ? 85 TYR B C 1 +ATOM 1598 O O . TYR B 1 85 ? -108.582 -45.226 0.879 1.00 29.18 ? 85 TYR B O 1 +ATOM 1599 C CB . TYR B 1 85 ? -107.799 -44.312 3.686 1.00 26.89 ? 85 TYR B CB 1 +ATOM 1600 C CG . TYR B 1 85 ? -107.529 -44.515 5.147 1.00 29.27 ? 85 TYR B CG 1 +ATOM 1601 C CD1 . TYR B 1 85 ? -106.902 -45.671 5.606 1.00 29.59 ? 85 TYR B CD1 1 +ATOM 1602 C CD2 . TYR B 1 85 ? -107.907 -43.556 6.080 1.00 30.19 ? 85 TYR B CD2 1 +ATOM 1603 C CE1 . TYR B 1 85 ? -106.653 -45.864 6.960 1.00 30.57 ? 85 TYR B CE1 1 +ATOM 1604 C CE2 . TYR B 1 85 ? -107.668 -43.739 7.434 1.00 31.01 ? 85 TYR B CE2 1 +ATOM 1605 C CZ . TYR B 1 85 ? -107.040 -44.892 7.868 1.00 32.17 ? 85 TYR B CZ 1 +ATOM 1606 O OH . TYR B 1 85 ? -106.789 -45.064 9.210 1.00 35.16 ? 85 TYR B OH 1 +ATOM 1607 N N . LEU B 1 86 ? -110.208 -43.775 1.425 1.00 28.92 ? 86 LEU B N 1 +ATOM 1608 C CA . LEU B 1 86 ? -110.477 -43.360 0.067 1.00 30.26 ? 86 LEU B CA 1 +ATOM 1609 C C . LEU B 1 86 ? -110.066 -41.906 -0.047 1.00 32.21 ? 86 LEU B C 1 +ATOM 1610 O O . LEU B 1 86 ? -110.492 -41.068 0.735 1.00 33.29 ? 86 LEU B O 1 +ATOM 1611 C CB . LEU B 1 86 ? -111.960 -43.492 -0.264 1.00 30.62 ? 86 LEU B CB 1 +ATOM 1612 C CG . LEU B 1 86 ? -112.341 -42.839 -1.597 1.00 32.48 ? 86 LEU B CG 1 +ATOM 1613 C CD1 . LEU B 1 86 ? -111.531 -43.457 -2.727 1.00 31.97 ? 86 LEU B CD1 1 +ATOM 1614 C CD2 . LEU B 1 86 ? -113.827 -43.004 -1.846 1.00 33.94 ? 86 LEU B CD2 1 +ATOM 1615 N N . ASN B 1 87 ? -109.226 -41.610 -1.024 1.00 34.96 ? 87 ASN B N 1 +ATOM 1616 C CA . ASN B 1 87 ? -108.769 -40.253 -1.234 1.00 36.88 ? 87 ASN B CA 1 +ATOM 1617 C C . ASN B 1 87 ? -109.044 -39.875 -2.686 1.00 35.18 ? 87 ASN B C 1 +ATOM 1618 O O . ASN B 1 87 ? -108.434 -40.415 -3.594 1.00 35.07 ? 87 ASN B O 1 +ATOM 1619 C CB . ASN B 1 87 ? -107.281 -40.178 -0.926 1.00 43.63 ? 87 ASN B CB 1 +ATOM 1620 C CG . ASN B 1 87 ? -106.806 -38.760 -0.712 1.00 52.12 ? 87 ASN B CG 1 +ATOM 1621 O OD1 . ASN B 1 87 ? -106.878 -37.910 -1.621 1.00 55.46 ? 87 ASN B OD1 1 +ATOM 1622 N ND2 . ASN B 1 87 ? -106.316 -38.483 0.502 1.00 57.16 ? 87 ASN B ND2 1 +ATOM 1623 N N . MET B 1 88 ? -109.971 -38.951 -2.889 1.00 34.10 ? 88 MET B N 1 +ATOM 1624 C CA . MET B 1 88 ? -110.372 -38.504 -4.222 1.00 35.61 ? 88 MET B CA 1 +ATOM 1625 C C . MET B 1 88 ? -110.035 -37.051 -4.513 1.00 36.11 ? 88 MET B C 1 +ATOM 1626 O O . MET B 1 88 ? -110.280 -36.176 -3.690 1.00 36.39 ? 88 MET B O 1 +ATOM 1627 C CB . MET B 1 88 ? -111.880 -38.626 -4.380 1.00 36.19 ? 88 MET B CB 1 +ATOM 1628 C CG . MET B 1 88 ? -112.391 -39.882 -5.001 1.00 41.81 ? 88 MET B CG 1 +ATOM 1629 S SD . MET B 1 88 ? -114.205 -39.862 -4.946 1.00 45.31 ? 88 MET B SD 1 +ATOM 1630 C CE . MET B 1 88 ? -114.550 -38.238 -5.596 1.00 43.15 ? 88 MET B CE 1 +ATOM 1631 N N . GLU B 1 89 ? -109.493 -36.787 -5.692 1.00 36.32 ? 89 GLU B N 1 +ATOM 1632 C CA . GLU B 1 89 ? -109.210 -35.417 -6.076 1.00 36.06 ? 89 GLU B CA 1 +ATOM 1633 C C . GLU B 1 89 ? -109.762 -35.186 -7.459 1.00 34.34 ? 89 GLU B C 1 +ATOM 1634 O O . GLU B 1 89 ? -109.429 -35.898 -8.400 1.00 33.34 ? 89 GLU B O 1 +ATOM 1635 C CB . GLU B 1 89 ? -107.723 -35.117 -6.043 1.00 40.14 ? 89 GLU B CB 1 +ATOM 1636 C CG . GLU B 1 89 ? -107.188 -35.010 -4.639 1.00 49.28 ? 89 GLU B CG 1 +ATOM 1637 C CD . GLU B 1 89 ? -106.071 -33.984 -4.509 1.00 54.45 ? 89 GLU B CD 1 +ATOM 1638 O OE1 . GLU B 1 89 ? -105.118 -34.021 -5.345 1.00 56.85 ? 89 GLU B OE1 1 +ATOM 1639 O OE2 . GLU B 1 89 ? -106.155 -33.146 -3.568 1.00 55.24 ? 89 GLU B OE2 1 +ATOM 1640 N N . LEU B 1 90 ? -110.625 -34.185 -7.559 1.00 32.34 ? 90 LEU B N 1 +ATOM 1641 C CA . LEU B 1 90 ? -111.269 -33.834 -8.806 1.00 31.66 ? 90 LEU B CA 1 +ATOM 1642 C C . LEU B 1 90 ? -110.813 -32.445 -9.257 1.00 31.37 ? 90 LEU B C 1 +ATOM 1643 O O . LEU B 1 90 ? -111.094 -31.446 -8.599 1.00 31.34 ? 90 LEU B O 1 +ATOM 1644 C CB . LEU B 1 90 ? -112.787 -33.878 -8.609 1.00 30.82 ? 90 LEU B CB 1 +ATOM 1645 C CG . LEU B 1 90 ? -113.707 -33.652 -9.805 1.00 32.46 ? 90 LEU B CG 1 +ATOM 1646 C CD1 . LEU B 1 90 ? -113.369 -34.629 -10.917 1.00 33.63 ? 90 LEU B CD1 1 +ATOM 1647 C CD2 . LEU B 1 90 ? -115.148 -33.821 -9.363 1.00 31.73 ? 90 LEU B CD2 1 +ATOM 1648 N N . THR B 1 91 ? -110.087 -32.400 -10.369 1.00 31.00 ? 91 THR B N 1 +ATOM 1649 C CA . THR B 1 91 ? -109.585 -31.149 -10.930 1.00 31.23 ? 91 THR B CA 1 +ATOM 1650 C C . THR B 1 91 ? -110.503 -30.706 -12.058 1.00 31.31 ? 91 THR B C 1 +ATOM 1651 O O . THR B 1 91 ? -110.705 -31.437 -13.017 1.00 32.33 ? 91 THR B O 1 +ATOM 1652 C CB . THR B 1 91 ? -108.168 -31.315 -11.497 1.00 31.56 ? 91 THR B CB 1 +ATOM 1653 O OG1 . THR B 1 91 ? -107.288 -31.771 -10.464 1.00 33.59 ? 91 THR B OG1 1 +ATOM 1654 C CG2 . THR B 1 91 ? -107.656 -29.997 -12.032 1.00 30.27 ? 91 THR B CG2 1 +ATOM 1655 N N . ILE B 1 92 ? -111.051 -29.504 -11.943 1.00 31.28 ? 92 ILE B N 1 +ATOM 1656 C CA . ILE B 1 92 ? -111.962 -28.990 -12.951 1.00 30.45 ? 92 ILE B CA 1 +ATOM 1657 C C . ILE B 1 92 ? -111.541 -27.620 -13.472 1.00 32.26 ? 92 ILE B C 1 +ATOM 1658 O O . ILE B 1 92 ? -111.409 -26.672 -12.698 1.00 33.20 ? 92 ILE B O 1 +ATOM 1659 C CB . ILE B 1 92 ? -113.384 -28.871 -12.373 1.00 28.66 ? 92 ILE B CB 1 +ATOM 1660 C CG1 . ILE B 1 92 ? -113.823 -30.214 -11.788 1.00 28.01 ? 92 ILE B CG1 1 +ATOM 1661 C CG2 . ILE B 1 92 ? -114.344 -28.423 -13.450 1.00 28.08 ? 92 ILE B CG2 1 +ATOM 1662 C CD1 . ILE B 1 92 ? -115.172 -30.173 -11.127 1.00 24.93 ? 92 ILE B CD1 1 +ATOM 1663 N N . PRO B 1 93 ? -111.310 -27.497 -14.794 1.00 32.54 ? 93 PRO B N 1 +ATOM 1664 C CA . PRO B 1 93 ? -110.911 -26.222 -15.397 1.00 32.03 ? 93 PRO B CA 1 +ATOM 1665 C C . PRO B 1 93 ? -111.990 -25.169 -15.131 1.00 32.21 ? 93 PRO B C 1 +ATOM 1666 O O . PRO B 1 93 ? -113.182 -25.485 -15.111 1.00 31.89 ? 93 PRO B O 1 +ATOM 1667 C CB . PRO B 1 93 ? -110.793 -26.570 -16.874 1.00 31.48 ? 93 PRO B CB 1 +ATOM 1668 C CG . PRO B 1 93 ? -110.325 -27.976 -16.831 1.00 31.98 ? 93 PRO B CG 1 +ATOM 1669 C CD . PRO B 1 93 ? -111.228 -28.580 -15.789 1.00 31.83 ? 93 PRO B CD 1 +ATOM 1670 N N . ILE B 1 94 ? -111.576 -23.923 -14.931 1.00 31.29 ? 94 ILE B N 1 +ATOM 1671 C CA . ILE B 1 94 ? -112.519 -22.852 -14.637 1.00 30.91 ? 94 ILE B CA 1 +ATOM 1672 C C . ILE B 1 94 ? -113.540 -22.574 -15.735 1.00 31.59 ? 94 ILE B C 1 +ATOM 1673 O O . ILE B 1 94 ? -114.495 -21.836 -15.517 1.00 32.86 ? 94 ILE B O 1 +ATOM 1674 C CB . ILE B 1 94 ? -111.787 -21.539 -14.316 1.00 30.66 ? 94 ILE B CB 1 +ATOM 1675 C CG1 . ILE B 1 94 ? -110.970 -21.089 -15.528 1.00 31.30 ? 94 ILE B CG1 1 +ATOM 1676 C CG2 . ILE B 1 94 ? -110.895 -21.731 -13.103 1.00 29.25 ? 94 ILE B CG2 1 +ATOM 1677 C CD1 . ILE B 1 94 ? -110.271 -19.769 -15.337 1.00 29.19 ? 94 ILE B CD1 1 +ATOM 1678 N N . PHE B 1 95 ? -113.359 -23.169 -16.908 1.00 31.21 ? 95 PHE B N 1 +ATOM 1679 C CA . PHE B 1 95 ? -114.293 -22.934 -18.001 1.00 31.29 ? 95 PHE B CA 1 +ATOM 1680 C C . PHE B 1 95 ? -115.512 -23.839 -17.961 1.00 31.51 ? 95 PHE B C 1 +ATOM 1681 O O . PHE B 1 95 ? -116.452 -23.638 -18.720 1.00 33.13 ? 95 PHE B O 1 +ATOM 1682 C CB . PHE B 1 95 ? -113.594 -23.109 -19.349 1.00 31.77 ? 95 PHE B CB 1 +ATOM 1683 C CG . PHE B 1 95 ? -112.313 -22.354 -19.461 1.00 33.81 ? 95 PHE B CG 1 +ATOM 1684 C CD1 . PHE B 1 95 ? -112.319 -20.974 -19.640 1.00 34.41 ? 95 PHE B CD1 1 +ATOM 1685 C CD2 . PHE B 1 95 ? -111.096 -23.009 -19.337 1.00 34.26 ? 95 PHE B CD2 1 +ATOM 1686 C CE1 . PHE B 1 95 ? -111.127 -20.256 -19.689 1.00 35.26 ? 95 PHE B CE1 1 +ATOM 1687 C CE2 . PHE B 1 95 ? -109.897 -22.301 -19.385 1.00 35.18 ? 95 PHE B CE2 1 +ATOM 1688 C CZ . PHE B 1 95 ? -109.913 -20.921 -19.559 1.00 34.93 ? 95 PHE B CZ 1 +ATOM 1689 N N . ALA B 1 96 ? -115.502 -24.833 -17.080 1.00 30.96 ? 96 ALA B N 1 +ATOM 1690 C CA . ALA B 1 96 ? -116.610 -25.775 -16.986 1.00 30.50 ? 96 ALA B CA 1 +ATOM 1691 C C . ALA B 1 96 ? -117.893 -25.150 -16.472 1.00 30.61 ? 96 ALA B C 1 +ATOM 1692 O O . ALA B 1 96 ? -117.913 -24.528 -15.420 1.00 31.08 ? 96 ALA B O 1 +ATOM 1693 C CB . ALA B 1 96 ? -116.219 -26.949 -16.105 1.00 30.09 ? 96 ALA B CB 1 +ATOM 1694 N N . THR B 1 97 ? -118.967 -25.322 -17.231 1.00 30.99 ? 97 THR B N 1 +ATOM 1695 C CA . THR B 1 97 ? -120.267 -24.794 -16.853 1.00 31.63 ? 97 THR B CA 1 +ATOM 1696 C C . THR B 1 97 ? -120.964 -25.818 -15.964 1.00 32.85 ? 97 THR B C 1 +ATOM 1697 O O . THR B 1 97 ? -120.441 -26.905 -15.731 1.00 32.69 ? 97 THR B O 1 +ATOM 1698 C CB . THR B 1 97 ? -121.146 -24.547 -18.092 1.00 32.64 ? 97 THR B CB 1 +ATOM 1699 O OG1 . THR B 1 97 ? -121.437 -25.797 -18.728 1.00 30.92 ? 97 THR B OG1 1 +ATOM 1700 C CG2 . THR B 1 97 ? -120.435 -23.640 -19.077 1.00 30.87 ? 97 THR B CG2 1 +ATOM 1701 N N . ASN B 1 98 ? -122.144 -25.474 -15.462 1.00 33.71 ? 98 ASN B N 1 +ATOM 1702 C CA . ASN B 1 98 ? -122.879 -26.398 -14.615 1.00 33.86 ? 98 ASN B CA 1 +ATOM 1703 C C . ASN B 1 98 ? -123.174 -27.672 -15.393 1.00 35.38 ? 98 ASN B C 1 +ATOM 1704 O O . ASN B 1 98 ? -123.131 -28.770 -14.838 1.00 36.43 ? 98 ASN B O 1 +ATOM 1705 C CB . ASN B 1 98 ? -124.171 -25.753 -14.119 1.00 32.95 ? 98 ASN B CB 1 +ATOM 1706 C CG . ASN B 1 98 ? -123.927 -24.773 -12.995 1.00 34.23 ? 98 ASN B CG 1 +ATOM 1707 O OD1 . ASN B 1 98 ? -122.790 -24.534 -12.605 1.00 34.44 ? 98 ASN B OD1 1 +ATOM 1708 N ND2 . ASN B 1 98 ? -124.994 -24.204 -12.464 1.00 34.40 ? 98 ASN B ND2 1 +ATOM 1709 N N . SER B 1 99 ? -123.461 -27.524 -16.684 1.00 35.73 ? 99 SER B N 1 +ATOM 1710 C CA . SER B 1 99 ? -123.735 -28.673 -17.538 1.00 35.38 ? 99 SER B CA 1 +ATOM 1711 C C . SER B 1 99 ? -122.522 -29.577 -17.648 1.00 34.68 ? 99 SER B C 1 +ATOM 1712 O O . SER B 1 99 ? -122.644 -30.793 -17.545 1.00 34.64 ? 99 SER B O 1 +ATOM 1713 C CB . SER B 1 99 ? -124.137 -28.220 -18.930 1.00 35.46 ? 99 SER B CB 1 +ATOM 1714 O OG . SER B 1 99 ? -125.498 -27.867 -18.930 1.00 40.97 ? 99 SER B OG 1 +ATOM 1715 N N . ASP B 1 100 ? -121.356 -28.980 -17.869 1.00 33.16 ? 100 ASP B N 1 +ATOM 1716 C CA . ASP B 1 100 ? -120.139 -29.760 -17.969 1.00 33.21 ? 100 ASP B CA 1 +ATOM 1717 C C . ASP B 1 100 ? -119.934 -30.529 -16.670 1.00 33.16 ? 100 ASP B C 1 +ATOM 1718 O O . ASP B 1 100 ? -119.621 -31.715 -16.686 1.00 33.30 ? 100 ASP B O 1 +ATOM 1719 C CB . ASP B 1 100 ? -118.927 -28.862 -18.220 1.00 33.84 ? 100 ASP B CB 1 +ATOM 1720 C CG . ASP B 1 100 ? -119.003 -28.129 -19.537 1.00 33.92 ? 100 ASP B CG 1 +ATOM 1721 O OD1 . ASP B 1 100 ? -119.512 -28.707 -20.517 1.00 34.78 ? 100 ASP B OD1 1 +ATOM 1722 O OD2 . ASP B 1 100 ? -118.532 -26.978 -19.594 1.00 34.38 ? 100 ASP B OD2 1 +ATOM 1723 N N . CYS B 1 101 ? -120.124 -29.844 -15.546 1.00 32.36 ? 101 CYS B N 1 +ATOM 1724 C CA . CYS B 1 101 ? -119.953 -30.458 -14.238 1.00 32.04 ? 101 CYS B CA 1 +ATOM 1725 C C . CYS B 1 101 ? -120.953 -31.564 -13.949 1.00 31.78 ? 101 CYS B C 1 +ATOM 1726 O O . CYS B 1 101 ? -120.651 -32.501 -13.221 1.00 32.44 ? 101 CYS B O 1 +ATOM 1727 C CB . CYS B 1 101 ? -120.011 -29.389 -13.154 1.00 30.99 ? 101 CYS B CB 1 +ATOM 1728 S SG . CYS B 1 101 ? -118.548 -28.348 -13.153 1.00 33.44 ? 101 CYS B SG 1 +ATOM 1729 N N . GLU B 1 102 ? -122.146 -31.458 -14.514 1.00 32.58 ? 102 GLU B N 1 +ATOM 1730 C CA . GLU B 1 102 ? -123.148 -32.494 -14.322 1.00 34.60 ? 102 GLU B CA 1 +ATOM 1731 C C . GLU B 1 102 ? -122.681 -33.770 -15.008 1.00 34.93 ? 102 GLU B C 1 +ATOM 1732 O O . GLU B 1 102 ? -122.880 -34.874 -14.502 1.00 36.40 ? 102 GLU B O 1 +ATOM 1733 C CB . GLU B 1 102 ? -124.470 -32.064 -14.928 1.00 37.50 ? 102 GLU B CB 1 +ATOM 1734 C CG . GLU B 1 102 ? -125.331 -31.252 -14.007 1.00 46.05 ? 102 GLU B CG 1 +ATOM 1735 C CD . GLU B 1 102 ? -126.518 -30.645 -14.734 1.00 51.20 ? 102 GLU B CD 1 +ATOM 1736 O OE1 . GLU B 1 102 ? -127.048 -31.315 -15.658 1.00 53.50 ? 102 GLU B OE1 1 +ATOM 1737 O OE2 . GLU B 1 102 ? -126.923 -29.508 -14.378 1.00 53.38 ? 102 GLU B OE2 1 +ATOM 1738 N N . LEU B 1 103 ? -122.059 -33.606 -16.169 1.00 33.60 ? 103 LEU B N 1 +ATOM 1739 C CA . LEU B 1 103 ? -121.568 -34.733 -16.930 1.00 33.10 ? 103 LEU B CA 1 +ATOM 1740 C C . LEU B 1 103 ? -120.403 -35.408 -16.205 1.00 33.47 ? 103 LEU B C 1 +ATOM 1741 O O . LEU B 1 103 ? -120.249 -36.627 -16.267 1.00 32.76 ? 103 LEU B O 1 +ATOM 1742 C CB . LEU B 1 103 ? -121.155 -34.256 -18.318 1.00 34.00 ? 103 LEU B CB 1 +ATOM 1743 C CG . LEU B 1 103 ? -120.736 -35.313 -19.336 1.00 36.48 ? 103 LEU B CG 1 +ATOM 1744 C CD1 . LEU B 1 103 ? -120.917 -34.770 -20.726 1.00 37.52 ? 103 LEU B CD1 1 +ATOM 1745 C CD2 . LEU B 1 103 ? -119.291 -35.702 -19.108 1.00 39.33 ? 103 LEU B CD2 1 +ATOM 1746 N N . ILE B 1 104 ? -119.587 -34.613 -15.518 1.00 32.26 ? 104 ILE B N 1 +ATOM 1747 C CA . ILE B 1 104 ? -118.452 -35.134 -14.764 1.00 31.40 ? 104 ILE B CA 1 +ATOM 1748 C C . ILE B 1 104 ? -118.975 -36.005 -13.621 1.00 31.05 ? 104 ILE B C 1 +ATOM 1749 O O . ILE B 1 104 ? -118.396 -37.042 -13.305 1.00 30.16 ? 104 ILE B O 1 +ATOM 1750 C CB . ILE B 1 104 ? -117.584 -33.981 -14.188 1.00 30.82 ? 104 ILE B CB 1 +ATOM 1751 C CG1 . ILE B 1 104 ? -116.922 -33.220 -15.334 1.00 31.38 ? 104 ILE B CG1 1 +ATOM 1752 C CG2 . ILE B 1 104 ? -116.525 -34.521 -13.247 1.00 28.23 ? 104 ILE B CG2 1 +ATOM 1753 C CD1 . ILE B 1 104 ? -116.146 -32.012 -14.898 1.00 31.16 ? 104 ILE B CD1 1 +ATOM 1754 N N . VAL B 1 105 ? -120.079 -35.581 -13.012 1.00 29.77 ? 105 VAL B N 1 +ATOM 1755 C CA . VAL B 1 105 ? -120.683 -36.331 -11.922 1.00 29.49 ? 105 VAL B CA 1 +ATOM 1756 C C . VAL B 1 105 ? -121.247 -37.656 -12.438 1.00 30.95 ? 105 VAL B C 1 +ATOM 1757 O O . VAL B 1 105 ? -121.141 -38.681 -11.774 1.00 30.17 ? 105 VAL B O 1 +ATOM 1758 C CB . VAL B 1 105 ? -121.794 -35.507 -11.236 1.00 29.10 ? 105 VAL B CB 1 +ATOM 1759 C CG1 . VAL B 1 105 ? -122.564 -36.367 -10.248 1.00 26.28 ? 105 VAL B CG1 1 +ATOM 1760 C CG2 . VAL B 1 105 ? -121.176 -34.326 -10.519 1.00 26.53 ? 105 VAL B CG2 1 +ATOM 1761 N N . LYS B 1 106 ? -121.840 -37.633 -13.626 1.00 31.75 ? 106 LYS B N 1 +ATOM 1762 C CA . LYS B 1 106 ? -122.384 -38.844 -14.230 1.00 32.64 ? 106 LYS B CA 1 +ATOM 1763 C C . LYS B 1 106 ? -121.272 -39.842 -14.533 1.00 32.79 ? 106 LYS B C 1 +ATOM 1764 O O . LYS B 1 106 ? -121.457 -41.050 -14.405 1.00 32.90 ? 106 LYS B O 1 +ATOM 1765 C CB . LYS B 1 106 ? -123.113 -38.510 -15.522 1.00 33.93 ? 106 LYS B CB 1 +ATOM 1766 C CG . LYS B 1 106 ? -124.436 -37.837 -15.318 1.00 37.29 ? 106 LYS B CG 1 +ATOM 1767 C CD . LYS B 1 106 ? -125.087 -37.569 -16.658 1.00 42.61 ? 106 LYS B CD 1 +ATOM 1768 C CE . LYS B 1 106 ? -126.569 -37.312 -16.493 1.00 47.73 ? 106 LYS B CE 1 +ATOM 1769 N NZ . LYS B 1 106 ? -127.243 -38.484 -15.828 1.00 52.44 ? 106 LYS B NZ 1 +ATOM 1770 N N . ALA B 1 107 ? -120.117 -39.330 -14.948 1.00 32.24 ? 107 ALA B N 1 +ATOM 1771 C CA . ALA B 1 107 ? -118.977 -40.176 -15.253 1.00 31.65 ? 107 ALA B CA 1 +ATOM 1772 C C . ALA B 1 107 ? -118.507 -40.879 -13.988 1.00 32.31 ? 107 ALA B C 1 +ATOM 1773 O O . ALA B 1 107 ? -118.122 -42.045 -14.035 1.00 33.08 ? 107 ALA B O 1 +ATOM 1774 C CB . ALA B 1 107 ? -117.853 -39.348 -15.840 1.00 30.92 ? 107 ALA B CB 1 +ATOM 1775 N N . MET B 1 108 ? -118.531 -40.173 -12.859 1.00 31.84 ? 108 MET B N 1 +ATOM 1776 C CA . MET B 1 108 ? -118.116 -40.768 -11.594 1.00 32.15 ? 108 MET B CA 1 +ATOM 1777 C C . MET B 1 108 ? -119.130 -41.820 -11.147 1.00 32.10 ? 108 MET B C 1 +ATOM 1778 O O . MET B 1 108 ? -118.765 -42.845 -10.577 1.00 31.38 ? 108 MET B O 1 +ATOM 1779 C CB . MET B 1 108 ? -117.973 -39.704 -10.506 1.00 32.82 ? 108 MET B CB 1 +ATOM 1780 C CG . MET B 1 108 ? -116.842 -38.721 -10.731 1.00 35.19 ? 108 MET B CG 1 +ATOM 1781 S SD . MET B 1 108 ? -116.579 -37.627 -9.301 1.00 40.54 ? 108 MET B SD 1 +ATOM 1782 C CE . MET B 1 108 ? -117.761 -36.362 -9.591 1.00 37.94 ? 108 MET B CE 1 +ATOM 1783 N N . GLN B 1 109 ? -120.406 -41.567 -11.413 1.00 31.83 ? 109 GLN B N 1 +ATOM 1784 C CA . GLN B 1 109 ? -121.449 -42.510 -11.045 1.00 31.21 ? 109 GLN B CA 1 +ATOM 1785 C C . GLN B 1 109 ? -121.328 -43.755 -11.917 1.00 31.51 ? 109 GLN B C 1 +ATOM 1786 O O . GLN B 1 109 ? -121.449 -44.871 -11.426 1.00 32.59 ? 109 GLN B O 1 +ATOM 1787 C CB . GLN B 1 109 ? -122.832 -41.879 -11.213 1.00 30.66 ? 109 GLN B CB 1 +ATOM 1788 C CG . GLN B 1 109 ? -123.055 -40.635 -10.372 1.00 32.49 ? 109 GLN B CG 1 +ATOM 1789 C CD . GLN B 1 109 ? -124.412 -39.991 -10.610 1.00 33.97 ? 109 GLN B CD 1 +ATOM 1790 O OE1 . GLN B 1 109 ? -124.892 -39.925 -11.743 1.00 36.43 ? 109 GLN B OE1 1 +ATOM 1791 N NE2 . GLN B 1 109 ? -125.030 -39.497 -9.544 1.00 32.42 ? 109 GLN B NE2 1 +ATOM 1792 N N . GLY B 1 110 ? -121.077 -43.562 -13.208 1.00 30.40 ? 110 GLY B N 1 +ATOM 1793 C CA . GLY B 1 110 ? -120.933 -44.686 -14.116 1.00 29.65 ? 110 GLY B CA 1 +ATOM 1794 C C . GLY B 1 110 ? -119.738 -45.556 -13.773 1.00 31.03 ? 110 GLY B C 1 +ATOM 1795 O O . GLY B 1 110 ? -119.793 -46.778 -13.867 1.00 31.42 ? 110 GLY B O 1 +ATOM 1796 N N . LEU B 1 111 ? -118.648 -44.921 -13.371 1.00 31.03 ? 111 LEU B N 1 +ATOM 1797 C CA . LEU B 1 111 ? -117.438 -45.631 -12.999 1.00 30.73 ? 111 LEU B CA 1 +ATOM 1798 C C . LEU B 1 111 ? -117.681 -46.631 -11.872 1.00 33.12 ? 111 LEU B C 1 +ATOM 1799 O O . LEU B 1 111 ? -117.139 -47.737 -11.879 1.00 34.06 ? 111 LEU B O 1 +ATOM 1800 C CB . LEU B 1 111 ? -116.374 -44.635 -12.543 1.00 28.41 ? 111 LEU B CB 1 +ATOM 1801 C CG . LEU B 1 111 ? -115.061 -45.234 -12.042 1.00 28.71 ? 111 LEU B CG 1 +ATOM 1802 C CD1 . LEU B 1 111 ? -114.239 -45.692 -13.220 1.00 27.58 ? 111 LEU B CD1 1 +ATOM 1803 C CD2 . LEU B 1 111 ? -114.296 -44.210 -11.244 1.00 27.03 ? 111 LEU B CD2 1 +ATOM 1804 N N . LEU B 1 112 ? -118.505 -46.242 -10.908 1.00 34.17 ? 112 LEU B N 1 +ATOM 1805 C CA . LEU B 1 112 ? -118.767 -47.076 -9.743 1.00 35.22 ? 112 LEU B CA 1 +ATOM 1806 C C . LEU B 1 112 ? -120.067 -47.857 -9.743 1.00 36.10 ? 112 LEU B C 1 +ATOM 1807 O O . LEU B 1 112 ? -120.383 -48.535 -8.768 1.00 35.51 ? 112 LEU B O 1 +ATOM 1808 C CB . LEU B 1 112 ? -118.710 -46.206 -8.492 1.00 34.03 ? 112 LEU B CB 1 +ATOM 1809 C CG . LEU B 1 112 ? -117.375 -45.496 -8.303 1.00 34.90 ? 112 LEU B CG 1 +ATOM 1810 C CD1 . LEU B 1 112 ? -117.537 -44.355 -7.325 1.00 35.61 ? 112 LEU B CD1 1 +ATOM 1811 C CD2 . LEU B 1 112 ? -116.340 -46.490 -7.832 1.00 33.64 ? 112 LEU B CD2 1 +ATOM 1812 N N . LYS B 1 113 ? -120.825 -47.774 -10.822 1.00 37.30 ? 113 LYS B N 1 +ATOM 1813 C CA . LYS B 1 113 ? -122.085 -48.490 -10.870 1.00 38.61 ? 113 LYS B CA 1 +ATOM 1814 C C . LYS B 1 113 ? -121.908 -49.999 -10.720 1.00 39.72 ? 113 LYS B C 1 +ATOM 1815 O O . LYS B 1 113 ? -120.918 -50.584 -11.164 1.00 40.12 ? 113 LYS B O 1 +ATOM 1816 C CB . LYS B 1 113 ? -122.824 -48.193 -12.172 1.00 39.04 ? 113 LYS B CB 1 +ATOM 1817 C CG . LYS B 1 113 ? -124.177 -48.852 -12.226 1.00 42.74 ? 113 LYS B CG 1 +ATOM 1818 C CD . LYS B 1 113 ? -124.909 -48.541 -13.507 1.00 46.45 ? 113 LYS B CD 1 +ATOM 1819 C CE . LYS B 1 113 ? -126.264 -49.232 -13.508 1.00 49.75 ? 113 LYS B CE 1 +ATOM 1820 N NZ . LYS B 1 113 ? -127.012 -48.992 -14.775 1.00 53.60 ? 113 LYS B NZ 1 +ATOM 1821 N N . ASP B 1 114 ? -122.889 -50.625 -10.088 1.00 40.46 ? 114 ASP B N 1 +ATOM 1822 C CA . ASP B 1 114 ? -122.880 -52.058 -9.870 1.00 41.87 ? 114 ASP B CA 1 +ATOM 1823 C C . ASP B 1 114 ? -122.702 -52.862 -11.143 1.00 41.76 ? 114 ASP B C 1 +ATOM 1824 O O . ASP B 1 114 ? -123.325 -52.569 -12.170 1.00 42.66 ? 114 ASP B O 1 +ATOM 1825 C CB . ASP B 1 114 ? -124.180 -52.466 -9.210 1.00 45.22 ? 114 ASP B CB 1 +ATOM 1826 C CG . ASP B 1 114 ? -123.973 -52.989 -7.824 1.00 50.82 ? 114 ASP B CG 1 +ATOM 1827 O OD1 . ASP B 1 114 ? -123.007 -52.541 -7.149 1.00 51.88 ? 114 ASP B OD1 1 +ATOM 1828 O OD2 . ASP B 1 114 ? -124.785 -53.847 -7.410 1.00 56.15 ? 114 ASP B OD2 1 +ATOM 1829 N N . GLY B 1 115 ? -121.855 -53.885 -11.072 1.00 39.91 ? 115 GLY B N 1 +ATOM 1830 C CA . GLY B 1 115 ? -121.633 -54.731 -12.227 1.00 37.80 ? 115 GLY B CA 1 +ATOM 1831 C C . GLY B 1 115 ? -120.515 -54.276 -13.135 1.00 38.01 ? 115 GLY B C 1 +ATOM 1832 O O . GLY B 1 115 ? -120.066 -55.041 -13.987 1.00 39.32 ? 115 GLY B O 1 +ATOM 1833 N N . ASN B 1 116 ? -120.067 -53.033 -12.974 1.00 36.60 ? 116 ASN B N 1 +ATOM 1834 C CA . ASN B 1 116 ? -118.984 -52.525 -13.796 1.00 33.72 ? 116 ASN B CA 1 +ATOM 1835 C C . ASN B 1 116 ? -117.654 -53.046 -13.267 1.00 33.47 ? 116 ASN B C 1 +ATOM 1836 O O . ASN B 1 116 ? -117.537 -53.413 -12.103 1.00 32.01 ? 116 ASN B O 1 +ATOM 1837 C CB . ASN B 1 116 ? -119.009 -50.998 -13.838 1.00 33.92 ? 116 ASN B CB 1 +ATOM 1838 C CG . ASN B 1 116 ? -120.111 -50.463 -14.740 1.00 35.46 ? 116 ASN B CG 1 +ATOM 1839 O OD1 . ASN B 1 116 ? -120.666 -51.194 -15.558 1.00 34.70 ? 116 ASN B OD1 1 +ATOM 1840 N ND2 . ASN B 1 116 ? -120.419 -49.180 -14.607 1.00 35.28 ? 116 ASN B ND2 1 +ATOM 1841 N N . PRO B 1 117 ? -116.630 -53.085 -14.126 1.00 33.41 ? 117 PRO B N 1 +ATOM 1842 C CA . PRO B 1 117 ? -115.292 -53.573 -13.781 1.00 33.01 ? 117 PRO B CA 1 +ATOM 1843 C C . PRO B 1 117 ? -114.668 -53.146 -12.453 1.00 33.17 ? 117 PRO B C 1 +ATOM 1844 O O . PRO B 1 117 ? -114.396 -53.993 -11.607 1.00 32.35 ? 117 PRO B O 1 +ATOM 1845 C CB . PRO B 1 117 ? -114.459 -53.141 -14.982 1.00 32.78 ? 117 PRO B CB 1 +ATOM 1846 C CG . PRO B 1 117 ? -115.441 -53.213 -16.101 1.00 32.16 ? 117 PRO B CG 1 +ATOM 1847 C CD . PRO B 1 117 ? -116.642 -52.546 -15.496 1.00 32.45 ? 117 PRO B CD 1 +ATOM 1848 N N . ILE B 1 118 ? -114.433 -51.847 -12.272 1.00 33.02 ? 118 ILE B N 1 +ATOM 1849 C CA . ILE B 1 118 ? -113.796 -51.351 -11.054 1.00 33.12 ? 118 ILE B CA 1 +ATOM 1850 C C . ILE B 1 118 ? -114.500 -51.796 -9.767 1.00 33.54 ? 118 ILE B C 1 +ATOM 1851 O O . ILE B 1 118 ? -113.886 -52.430 -8.909 1.00 33.36 ? 118 ILE B O 1 +ATOM 1852 C CB . ILE B 1 118 ? -113.682 -49.813 -11.065 1.00 34.23 ? 118 ILE B CB 1 +ATOM 1853 C CG1 . ILE B 1 118 ? -113.085 -49.333 -12.390 1.00 34.52 ? 118 ILE B CG1 1 +ATOM 1854 C CG2 . ILE B 1 118 ? -112.821 -49.350 -9.907 1.00 32.01 ? 118 ILE B CG2 1 +ATOM 1855 C CD1 . ILE B 1 118 ? -111.663 -49.693 -12.592 1.00 34.88 ? 118 ILE B CD1 1 +ATOM 1856 N N . PRO B 1 119 ? -115.793 -51.468 -9.602 1.00 32.80 ? 119 PRO B N 1 +ATOM 1857 C CA . PRO B 1 119 ? -116.439 -51.907 -8.366 1.00 32.03 ? 119 PRO B CA 1 +ATOM 1858 C C . PRO B 1 119 ? -116.462 -53.424 -8.176 1.00 32.03 ? 119 PRO B C 1 +ATOM 1859 O O . PRO B 1 119 ? -116.415 -53.908 -7.055 1.00 33.40 ? 119 PRO B O 1 +ATOM 1860 C CB . PRO B 1 119 ? -117.836 -51.292 -8.465 1.00 30.67 ? 119 PRO B CB 1 +ATOM 1861 C CG . PRO B 1 119 ? -118.045 -51.130 -9.912 1.00 31.34 ? 119 PRO B CG 1 +ATOM 1862 C CD . PRO B 1 119 ? -116.716 -50.648 -10.402 1.00 32.01 ? 119 PRO B CD 1 +ATOM 1863 N N . SER B 1 120 ? -116.516 -54.172 -9.270 1.00 32.06 ? 120 SER B N 1 +ATOM 1864 C CA . SER B 1 120 ? -116.539 -55.630 -9.188 1.00 31.97 ? 120 SER B CA 1 +ATOM 1865 C C . SER B 1 120 ? -115.201 -56.172 -8.719 1.00 32.50 ? 120 SER B C 1 +ATOM 1866 O O . SER B 1 120 ? -115.148 -57.150 -7.977 1.00 33.94 ? 120 SER B O 1 +ATOM 1867 C CB . SER B 1 120 ? -116.880 -56.232 -10.546 1.00 31.59 ? 120 SER B CB 1 +ATOM 1868 O OG . SER B 1 120 ? -118.156 -55.800 -10.971 1.00 36.45 ? 120 SER B OG 1 +ATOM 1869 N N . ALA B 1 121 ? -114.124 -55.536 -9.165 1.00 30.96 ? 121 ALA B N 1 +ATOM 1870 C CA . ALA B 1 121 ? -112.782 -55.945 -8.791 1.00 30.23 ? 121 ALA B CA 1 +ATOM 1871 C C . ALA B 1 121 ? -112.555 -55.676 -7.308 1.00 30.74 ? 121 ALA B C 1 +ATOM 1872 O O . ALA B 1 121 ? -112.113 -56.553 -6.573 1.00 31.54 ? 121 ALA B O 1 +ATOM 1873 C CB . ALA B 1 121 ? -111.759 -55.190 -9.622 1.00 28.94 ? 121 ALA B CB 1 +ATOM 1874 N N . ILE B 1 122 ? -112.859 -54.457 -6.875 1.00 29.95 ? 122 ILE B N 1 +ATOM 1875 C CA . ILE B 1 122 ? -112.691 -54.065 -5.480 1.00 29.13 ? 122 ILE B CA 1 +ATOM 1876 C C . ILE B 1 122 ? -113.483 -54.974 -4.531 1.00 30.45 ? 122 ILE B C 1 +ATOM 1877 O O . ILE B 1 122 ? -112.957 -55.452 -3.526 1.00 30.75 ? 122 ILE B O 1 +ATOM 1878 C CB . ILE B 1 122 ? -113.133 -52.589 -5.277 1.00 27.09 ? 122 ILE B CB 1 +ATOM 1879 C CG1 . ILE B 1 122 ? -112.153 -51.656 -5.983 1.00 25.66 ? 122 ILE B CG1 1 +ATOM 1880 C CG2 . ILE B 1 122 ? -113.224 -52.257 -3.808 1.00 24.16 ? 122 ILE B CG2 1 +ATOM 1881 C CD1 . ILE B 1 122 ? -112.639 -50.240 -6.109 1.00 23.53 ? 122 ILE B CD1 1 +ATOM 1882 N N . ALA B 1 123 ? -114.745 -55.220 -4.863 1.00 30.56 ? 123 ALA B N 1 +ATOM 1883 C CA . ALA B 1 123 ? -115.598 -56.052 -4.033 1.00 30.92 ? 123 ALA B CA 1 +ATOM 1884 C C . ALA B 1 123 ? -115.144 -57.502 -3.965 1.00 31.94 ? 123 ALA B C 1 +ATOM 1885 O O . ALA B 1 123 ? -115.479 -58.210 -3.026 1.00 34.53 ? 123 ALA B O 1 +ATOM 1886 C CB . ALA B 1 123 ? -117.020 -55.983 -4.526 1.00 28.96 ? 123 ALA B CB 1 +ATOM 1887 N N . ALA B 1 124 ? -114.381 -57.952 -4.950 1.00 31.89 ? 124 ALA B N 1 +ATOM 1888 C CA . ALA B 1 124 ? -113.919 -59.334 -4.957 1.00 31.90 ? 124 ALA B CA 1 +ATOM 1889 C C . ALA B 1 124 ? -112.460 -59.473 -4.539 1.00 32.70 ? 124 ALA B C 1 +ATOM 1890 O O . ALA B 1 124 ? -111.853 -60.516 -4.762 1.00 32.80 ? 124 ALA B O 1 +ATOM 1891 C CB . ALA B 1 124 ? -114.116 -59.931 -6.336 1.00 30.41 ? 124 ALA B CB 1 +ATOM 1892 N N . ASN B 1 125 ? -111.903 -58.427 -3.930 1.00 32.73 ? 125 ASN B N 1 +ATOM 1893 C CA . ASN B 1 125 ? -110.505 -58.437 -3.506 1.00 33.80 ? 125 ASN B CA 1 +ATOM 1894 C C . ASN B 1 125 ? -109.604 -58.771 -4.685 1.00 34.36 ? 125 ASN B C 1 +ATOM 1895 O O . ASN B 1 125 ? -108.608 -59.477 -4.527 1.00 34.39 ? 125 ASN B O 1 +ATOM 1896 C CB . ASN B 1 125 ? -110.278 -59.469 -2.400 1.00 33.84 ? 125 ASN B CB 1 +ATOM 1897 C CG . ASN B 1 125 ? -110.256 -58.849 -1.021 1.00 35.39 ? 125 ASN B CG 1 +ATOM 1898 O OD1 . ASN B 1 125 ? -109.511 -57.901 -0.771 1.00 35.96 ? 125 ASN B OD1 1 +ATOM 1899 N ND2 . ASN B 1 125 ? -111.067 -59.385 -0.116 1.00 34.33 ? 125 ASN B ND2 1 +ATOM 1900 N N . SER B 1 126 ? -109.951 -58.252 -5.861 1.00 33.76 ? 126 SER B N 1 +ATOM 1901 C CA . SER B 1 126 ? -109.196 -58.525 -7.078 1.00 32.93 ? 126 SER B CA 1 +ATOM 1902 C C . SER B 1 126 ? -108.673 -57.313 -7.825 1.00 32.94 ? 126 SER B C 1 +ATOM 1903 O O . SER B 1 126 ? -108.927 -56.165 -7.465 1.00 32.58 ? 126 SER B O 1 +ATOM 1904 C CB . SER B 1 126 ? -110.056 -59.336 -8.046 1.00 32.52 ? 126 SER B CB 1 +ATOM 1905 O OG . SER B 1 126 ? -110.356 -60.609 -7.512 1.00 36.74 ? 126 SER B OG 1 +ATOM 1906 N N . GLY B 1 127 ? -107.920 -57.608 -8.877 1.00 32.42 ? 127 GLY B N 1 +ATOM 1907 C CA . GLY B 1 127 ? -107.378 -56.589 -9.749 1.00 33.32 ? 127 GLY B CA 1 +ATOM 1908 C C . GLY B 1 127 ? -108.098 -56.806 -11.068 1.00 34.34 ? 127 GLY B C 1 +ATOM 1909 O O . GLY B 1 127 ? -109.195 -57.366 -11.087 1.00 34.78 ? 127 GLY B O 1 +ATOM 1910 N N . ILE B 1 128 ? -107.499 -56.384 -12.173 1.00 35.13 ? 128 ILE B N 1 +ATOM 1911 C CA . ILE B 1 128 ? -108.122 -56.568 -13.479 1.00 34.93 ? 128 ILE B CA 1 +ATOM 1912 C C . ILE B 1 128 ? -107.503 -57.794 -14.163 1.00 35.63 ? 128 ILE B C 1 +ATOM 1913 O O . ILE B 1 128 ? -106.295 -58.009 -14.084 1.00 36.38 ? 128 ILE B O 1 +ATOM 1914 C CB . ILE B 1 128 ? -107.929 -55.308 -14.343 1.00 34.01 ? 128 ILE B CB 1 +ATOM 1915 C CG1 . ILE B 1 128 ? -108.440 -54.084 -13.573 1.00 33.93 ? 128 ILE B CG1 1 +ATOM 1916 C CG2 . ILE B 1 128 ? -108.661 -55.458 -15.665 1.00 32.56 ? 128 ILE B CG2 1 +ATOM 1917 C CD1 . ILE B 1 128 ? -109.916 -54.138 -13.226 1.00 32.59 ? 128 ILE B CD1 1 +ATOM 1918 N N . TYR B 1 129 ? -108.330 -58.601 -14.822 1.00 35.53 ? 129 TYR B N 1 +ATOM 1919 C CA . TYR B 1 129 ? -107.842 -59.807 -15.491 1.00 35.77 ? 129 TYR B CA 1 +ATOM 1920 C C . TYR B 1 129 ? -108.743 -60.246 -16.644 1.00 37.49 ? 129 TYR B C 1 +ATOM 1921 O O . TYR B 1 129 ? -108.251 -61.024 -17.490 1.00 39.38 ? 129 TYR B O 1 +ATOM 1922 C CB . TYR B 1 129 ? -107.713 -60.943 -14.475 1.00 32.59 ? 129 TYR B CB 1 +ATOM 1923 C CG . TYR B 1 129 ? -109.026 -61.316 -13.843 1.00 32.82 ? 129 TYR B CG 1 +ATOM 1924 C CD1 . TYR B 1 129 ? -109.894 -62.213 -14.467 1.00 32.59 ? 129 TYR B CD1 1 +ATOM 1925 C CD2 . TYR B 1 129 ? -109.436 -60.726 -12.649 1.00 32.86 ? 129 TYR B CD2 1 +ATOM 1926 C CE1 . TYR B 1 129 ? -111.139 -62.512 -13.922 1.00 33.76 ? 129 TYR B CE1 1 +ATOM 1927 C CE2 . TYR B 1 129 ? -110.680 -61.015 -12.093 1.00 34.08 ? 129 TYR B CE2 1 +ATOM 1928 C CZ . TYR B 1 129 ? -111.528 -61.906 -12.737 1.00 35.43 ? 129 TYR B CZ 1 +ATOM 1929 O OH . TYR B 1 129 ? -112.769 -62.173 -12.204 1.00 37.80 ? 129 TYR B OH 1 +ATOM 1930 O OXT . TYR B 1 129 ? -109.927 -59.830 -16.682 1.00 37.53 ? 129 TYR B OXT 1 +ATOM 1931 N N . ALA C 1 1 ? -112.965 -59.395 -21.582 1.00 64.48 ? 1 ALA C N 1 +ATOM 1932 C CA . ALA C 1 1 ? -112.418 -59.128 -22.956 1.00 64.13 ? 1 ALA C CA 1 +ATOM 1933 C C . ALA C 1 1 ? -110.876 -59.233 -22.976 1.00 63.12 ? 1 ALA C C 1 +ATOM 1934 O O . ALA C 1 1 ? -110.202 -58.979 -21.951 1.00 63.13 ? 1 ALA C O 1 +ATOM 1935 C CB . ALA C 1 1 ? -112.874 -57.720 -23.453 1.00 63.66 ? 1 ALA C CB 1 +ATOM 1936 N N . SER C 1 2 ? -110.324 -59.611 -24.136 1.00 59.00 ? 2 SER C N 1 +ATOM 1937 C CA . SER C 1 2 ? -108.876 -59.733 -24.262 1.00 54.42 ? 2 SER C CA 1 +ATOM 1938 C C . SER C 1 2 ? -108.431 -60.024 -25.692 1.00 51.89 ? 2 SER C C 1 +ATOM 1939 O O . SER C 1 2 ? -109.032 -60.850 -26.383 1.00 52.06 ? 2 SER C O 1 +ATOM 1940 C CB . SER C 1 2 ? -108.359 -60.831 -23.329 1.00 53.21 ? 2 SER C CB 1 +ATOM 1941 O OG . SER C 1 2 ? -106.947 -60.809 -23.253 1.00 51.92 ? 2 SER C OG 1 +ATOM 1942 N N . ASN C 1 3 ? -107.389 -59.329 -26.138 1.00 48.05 ? 3 ASN C N 1 +ATOM 1943 C CA . ASN C 1 3 ? -106.875 -59.556 -27.477 1.00 44.86 ? 3 ASN C CA 1 +ATOM 1944 C C . ASN C 1 3 ? -105.496 -60.204 -27.374 1.00 43.26 ? 3 ASN C C 1 +ATOM 1945 O O . ASN C 1 3 ? -104.840 -60.457 -28.384 1.00 43.13 ? 3 ASN C O 1 +ATOM 1946 C CB . ASN C 1 3 ? -106.832 -58.249 -28.284 1.00 44.01 ? 3 ASN C CB 1 +ATOM 1947 C CG . ASN C 1 3 ? -105.753 -57.292 -27.821 1.00 43.70 ? 3 ASN C CG 1 +ATOM 1948 O OD1 . ASN C 1 3 ? -105.133 -57.477 -26.771 1.00 45.67 ? 3 ASN C OD1 1 +ATOM 1949 N ND2 . ASN C 1 3 ? -105.531 -56.249 -28.606 1.00 43.23 ? 3 ASN C ND2 1 +ATOM 1950 N N . PHE C 1 4 ? -105.063 -60.465 -26.141 1.00 41.38 ? 4 PHE C N 1 +ATOM 1951 C CA . PHE C 1 4 ? -103.787 -61.132 -25.909 1.00 40.22 ? 4 PHE C CA 1 +ATOM 1952 C C . PHE C 1 4 ? -104.134 -62.611 -25.904 1.00 39.22 ? 4 PHE C C 1 +ATOM 1953 O O . PHE C 1 4 ? -104.041 -63.288 -24.883 1.00 38.25 ? 4 PHE C O 1 +ATOM 1954 C CB . PHE C 1 4 ? -103.183 -60.732 -24.561 1.00 39.34 ? 4 PHE C CB 1 +ATOM 1955 C CG . PHE C 1 4 ? -101.804 -61.301 -24.318 1.00 41.09 ? 4 PHE C CG 1 +ATOM 1956 C CD1 . PHE C 1 4 ? -100.864 -61.360 -25.351 1.00 41.65 ? 4 PHE C CD1 1 +ATOM 1957 C CD2 . PHE C 1 4 ? -101.424 -61.731 -23.047 1.00 42.17 ? 4 PHE C CD2 1 +ATOM 1958 C CE1 . PHE C 1 4 ? -99.567 -61.836 -25.121 1.00 41.78 ? 4 PHE C CE1 1 +ATOM 1959 C CE2 . PHE C 1 4 ? -100.127 -62.211 -22.802 1.00 42.44 ? 4 PHE C CE2 1 +ATOM 1960 C CZ . PHE C 1 4 ? -99.197 -62.261 -23.843 1.00 41.95 ? 4 PHE C CZ 1 +ATOM 1961 N N . THR C 1 5 ? -104.557 -63.094 -27.066 1.00 38.67 ? 5 THR C N 1 +ATOM 1962 C CA . THR C 1 5 ? -104.965 -64.475 -27.212 1.00 39.13 ? 5 THR C CA 1 +ATOM 1963 C C . THR C 1 5 ? -104.167 -65.201 -28.271 1.00 38.97 ? 5 THR C C 1 +ATOM 1964 O O . THR C 1 5 ? -103.315 -64.632 -28.947 1.00 39.33 ? 5 THR C O 1 +ATOM 1965 C CB . THR C 1 5 ? -106.451 -64.580 -27.610 1.00 39.53 ? 5 THR C CB 1 +ATOM 1966 O OG1 . THR C 1 5 ? -106.639 -63.994 -28.905 1.00 40.23 ? 5 THR C OG1 1 +ATOM 1967 C CG2 . THR C 1 5 ? -107.328 -63.850 -26.613 1.00 42.01 ? 5 THR C CG2 1 +ATOM 1968 N N . GLN C 1 6 ? -104.484 -66.478 -28.405 1.00 38.50 ? 6 GLN C N 1 +ATOM 1969 C CA . GLN C 1 6 ? -103.864 -67.361 -29.367 1.00 38.27 ? 6 GLN C CA 1 +ATOM 1970 C C . GLN C 1 6 ? -104.427 -67.031 -30.754 1.00 37.08 ? 6 GLN C C 1 +ATOM 1971 O O . GLN C 1 6 ? -105.581 -66.628 -30.873 1.00 37.42 ? 6 GLN C O 1 +ATOM 1972 C CB . GLN C 1 6 ? -104.208 -68.786 -28.970 1.00 39.52 ? 6 GLN C CB 1 +ATOM 1973 C CG . GLN C 1 6 ? -103.650 -69.851 -29.850 1.00 47.96 ? 6 GLN C CG 1 +ATOM 1974 C CD . GLN C 1 6 ? -104.146 -71.232 -29.441 1.00 52.55 ? 6 GLN C CD 1 +ATOM 1975 O OE1 . GLN C 1 6 ? -105.360 -71.461 -29.345 1.00 54.07 ? 6 GLN C OE1 1 +ATOM 1976 N NE2 . GLN C 1 6 ? -103.210 -72.162 -29.196 1.00 53.45 ? 6 GLN C NE2 1 +ATOM 1977 N N . PHE C 1 7 ? -103.615 -67.180 -31.796 1.00 35.63 ? 7 PHE C N 1 +ATOM 1978 C CA . PHE C 1 7 ? -104.094 -66.914 -33.151 1.00 34.29 ? 7 PHE C CA 1 +ATOM 1979 C C . PHE C 1 7 ? -103.245 -67.613 -34.201 1.00 34.89 ? 7 PHE C C 1 +ATOM 1980 O O . PHE C 1 7 ? -102.116 -68.028 -33.934 1.00 34.92 ? 7 PHE C O 1 +ATOM 1981 C CB . PHE C 1 7 ? -104.160 -65.400 -33.422 1.00 33.24 ? 7 PHE C CB 1 +ATOM 1982 C CG . PHE C 1 7 ? -102.819 -64.732 -33.612 1.00 31.75 ? 7 PHE C CG 1 +ATOM 1983 C CD1 . PHE C 1 7 ? -102.134 -64.199 -32.526 1.00 31.01 ? 7 PHE C CD1 1 +ATOM 1984 C CD2 . PHE C 1 7 ? -102.262 -64.605 -34.881 1.00 30.60 ? 7 PHE C CD2 1 +ATOM 1985 C CE1 . PHE C 1 7 ? -100.917 -63.547 -32.700 1.00 30.03 ? 7 PHE C CE1 1 +ATOM 1986 C CE2 . PHE C 1 7 ? -101.049 -63.956 -35.064 1.00 29.71 ? 7 PHE C CE2 1 +ATOM 1987 C CZ . PHE C 1 7 ? -100.375 -63.426 -33.971 1.00 30.35 ? 7 PHE C CZ 1 +ATOM 1988 N N . VAL C 1 8 ? -103.807 -67.758 -35.396 1.00 34.24 ? 8 VAL C N 1 +ATOM 1989 C CA . VAL C 1 8 ? -103.108 -68.410 -36.496 1.00 34.47 ? 8 VAL C CA 1 +ATOM 1990 C C . VAL C 1 8 ? -102.187 -67.431 -37.217 1.00 35.85 ? 8 VAL C C 1 +ATOM 1991 O O . VAL C 1 8 ? -102.642 -66.436 -37.783 1.00 36.53 ? 8 VAL C O 1 +ATOM 1992 C CB . VAL C 1 8 ? -104.104 -69.004 -37.516 1.00 33.17 ? 8 VAL C CB 1 +ATOM 1993 C CG1 . VAL C 1 8 ? -103.356 -69.692 -38.642 1.00 31.49 ? 8 VAL C CG1 1 +ATOM 1994 C CG2 . VAL C 1 8 ? -105.021 -69.985 -36.826 1.00 30.24 ? 8 VAL C CG2 1 +ATOM 1995 N N . LEU C 1 9 ? -100.889 -67.720 -37.186 1.00 36.38 ? 9 LEU C N 1 +ATOM 1996 C CA . LEU C 1 9 ? -99.900 -66.874 -37.838 1.00 37.02 ? 9 LEU C CA 1 +ATOM 1997 C C . LEU C 1 9 ? -99.765 -67.302 -39.294 1.00 37.85 ? 9 LEU C C 1 +ATOM 1998 O O . LEU C 1 9 ? -99.801 -66.470 -40.198 1.00 38.32 ? 9 LEU C O 1 +ATOM 1999 C CB . LEU C 1 9 ? -98.548 -66.994 -37.134 1.00 35.04 ? 9 LEU C CB 1 +ATOM 2000 C CG . LEU C 1 9 ? -97.422 -66.120 -37.679 1.00 33.52 ? 9 LEU C CG 1 +ATOM 2001 C CD1 . LEU C 1 9 ? -97.801 -64.663 -37.544 1.00 31.96 ? 9 LEU C CD1 1 +ATOM 2002 C CD2 . LEU C 1 9 ? -96.141 -66.408 -36.922 1.00 32.65 ? 9 LEU C CD2 1 +ATOM 2003 N N . VAL C 1 10 ? -99.601 -68.601 -39.514 1.00 39.08 ? 10 VAL C N 1 +ATOM 2004 C CA . VAL C 1 10 ? -99.483 -69.133 -40.865 1.00 41.41 ? 10 VAL C CA 1 +ATOM 2005 C C . VAL C 1 10 ? -100.674 -70.034 -41.131 1.00 44.61 ? 10 VAL C C 1 +ATOM 2006 O O . VAL C 1 10 ? -100.922 -70.988 -40.395 1.00 44.53 ? 10 VAL C O 1 +ATOM 2007 C CB . VAL C 1 10 ? -98.195 -69.956 -41.057 1.00 39.45 ? 10 VAL C CB 1 +ATOM 2008 C CG1 . VAL C 1 10 ? -98.150 -70.518 -42.472 1.00 37.91 ? 10 VAL C CG1 1 +ATOM 2009 C CG2 . VAL C 1 10 ? -96.983 -69.086 -40.801 1.00 38.11 ? 10 VAL C CG2 1 +ATOM 2010 N N . ASP C 1 11 ? -101.413 -69.724 -42.186 1.00 49.34 ? 11 ASP C N 1 +ATOM 2011 C CA . ASP C 1 11 ? -102.592 -70.494 -42.541 1.00 54.48 ? 11 ASP C CA 1 +ATOM 2012 C C . ASP C 1 11 ? -102.340 -71.442 -43.717 1.00 58.26 ? 11 ASP C C 1 +ATOM 2013 O O . ASP C 1 11 ? -102.173 -71.002 -44.863 1.00 58.32 ? 11 ASP C O 1 +ATOM 2014 C CB . ASP C 1 11 ? -103.741 -69.536 -42.870 1.00 55.86 ? 11 ASP C CB 1 +ATOM 2015 C CG . ASP C 1 11 ? -105.037 -70.260 -43.195 1.00 58.72 ? 11 ASP C CG 1 +ATOM 2016 O OD1 . ASP C 1 11 ? -105.003 -71.513 -43.332 1.00 60.77 ? 11 ASP C OD1 1 +ATOM 2017 O OD2 . ASP C 1 11 ? -106.088 -69.574 -43.318 1.00 58.59 ? 11 ASP C OD2 1 +ATOM 2018 N N . ASN C 1 12 ? -102.303 -72.741 -43.419 1.00 63.03 ? 12 ASN C N 1 +ATOM 2019 C CA . ASN C 1 12 ? -102.093 -73.785 -44.429 1.00 68.51 ? 12 ASN C CA 1 +ATOM 2020 C C . ASN C 1 12 ? -103.381 -74.602 -44.483 1.00 71.64 ? 12 ASN C C 1 +ATOM 2021 O O . ASN C 1 12 ? -103.423 -75.775 -44.060 1.00 73.17 ? 12 ASN C O 1 +ATOM 2022 C CB . ASN C 1 12 ? -100.927 -74.694 -44.031 1.00 69.38 ? 12 ASN C CB 1 +ATOM 2023 C CG . ASN C 1 12 ? -99.579 -73.984 -44.103 1.00 71.96 ? 12 ASN C CG 1 +ATOM 2024 O OD1 . ASN C 1 12 ? -99.195 -73.449 -45.168 1.00 72.89 ? 12 ASN C OD1 1 +ATOM 2025 N ND2 . ASN C 1 12 ? -98.844 -73.978 -42.978 1.00 71.81 ? 12 ASN C ND2 1 +ATOM 2026 N N . GLY C 1 13 ? -104.439 -73.986 -45.007 1.00 74.59 ? 13 GLY C N 1 +ATOM 2027 C CA . GLY C 1 13 ? -105.710 -74.682 -45.041 1.00 78.03 ? 13 GLY C CA 1 +ATOM 2028 C C . GLY C 1 13 ? -106.062 -74.871 -43.570 1.00 80.48 ? 13 GLY C C 1 +ATOM 2029 O O . GLY C 1 13 ? -105.959 -73.917 -42.773 1.00 81.72 ? 13 GLY C O 1 +ATOM 2030 N N . GLY C 1 14 ? -106.450 -76.084 -43.184 1.00 81.47 ? 14 GLY C N 1 +ATOM 2031 C CA . GLY C 1 14 ? -106.787 -76.306 -41.786 1.00 82.39 ? 14 GLY C CA 1 +ATOM 2032 C C . GLY C 1 14 ? -105.718 -77.111 -41.057 1.00 82.90 ? 14 GLY C C 1 +ATOM 2033 O O . GLY C 1 14 ? -105.621 -77.070 -39.814 1.00 83.35 ? 14 GLY C O 1 +ATOM 2034 N N . THR C 1 15 ? -104.901 -77.830 -41.826 1.00 82.38 ? 15 THR C N 1 +ATOM 2035 C CA . THR C 1 15 ? -103.862 -78.674 -41.234 1.00 81.82 ? 15 THR C CA 1 +ATOM 2036 C C . THR C 1 15 ? -102.445 -78.259 -41.638 1.00 79.84 ? 15 THR C C 1 +ATOM 2037 O O . THR C 1 15 ? -102.132 -78.096 -42.841 1.00 79.43 ? 15 THR C O 1 +ATOM 2038 C CB . THR C 1 15 ? -104.105 -80.161 -41.610 1.00 83.29 ? 15 THR C CB 1 +ATOM 2039 O OG1 . THR C 1 15 ? -104.258 -80.272 -43.041 1.00 84.32 ? 15 THR C OG1 1 +ATOM 2040 C CG2 . THR C 1 15 ? -105.381 -80.693 -40.897 1.00 82.53 ? 15 THR C CG2 1 +ATOM 2041 N N . GLY C 1 16 ? -101.589 -78.115 -40.621 1.00 76.61 ? 16 GLY C N 1 +ATOM 2042 C CA . GLY C 1 16 ? -100.218 -77.684 -40.850 1.00 71.81 ? 16 GLY C CA 1 +ATOM 2043 C C . GLY C 1 16 ? -100.153 -76.197 -40.514 1.00 68.19 ? 16 GLY C C 1 +ATOM 2044 O O . GLY C 1 16 ? -99.147 -75.517 -40.787 1.00 67.81 ? 16 GLY C O 1 +ATOM 2045 N N . ASP C 1 17 ? -101.245 -75.693 -39.925 1.00 63.09 ? 17 ASP C N 1 +ATOM 2046 C CA . ASP C 1 17 ? -101.334 -74.291 -39.534 1.00 57.72 ? 17 ASP C CA 1 +ATOM 2047 C C . ASP C 1 17 ? -100.360 -74.001 -38.412 1.00 54.00 ? 17 ASP C C 1 +ATOM 2048 O O . ASP C 1 17 ? -100.183 -74.821 -37.508 1.00 54.66 ? 17 ASP C O 1 +ATOM 2049 C CB . ASP C 1 17 ? -102.741 -73.941 -39.037 1.00 57.25 ? 17 ASP C CB 1 +ATOM 2050 C CG . ASP C 1 17 ? -103.787 -74.007 -40.131 1.00 58.25 ? 17 ASP C CG 1 +ATOM 2051 O OD1 . ASP C 1 17 ? -103.405 -74.124 -41.326 1.00 58.60 ? 17 ASP C OD1 1 +ATOM 2052 O OD2 . ASP C 1 17 ? -104.997 -73.931 -39.790 1.00 57.97 ? 17 ASP C OD2 1 +ATOM 2053 N N . VAL C 1 18 ? -99.717 -72.842 -38.471 1.00 48.74 ? 18 VAL C N 1 +ATOM 2054 C CA . VAL C 1 18 ? -98.814 -72.458 -37.408 1.00 43.94 ? 18 VAL C CA 1 +ATOM 2055 C C . VAL C 1 18 ? -99.607 -71.536 -36.484 1.00 42.49 ? 18 VAL C C 1 +ATOM 2056 O O . VAL C 1 18 ? -100.068 -70.468 -36.887 1.00 41.04 ? 18 VAL C O 1 +ATOM 2057 C CB . VAL C 1 18 ? -97.570 -71.722 -37.946 1.00 42.60 ? 18 VAL C CB 1 +ATOM 2058 C CG1 . VAL C 1 18 ? -96.688 -71.260 -36.786 1.00 38.90 ? 18 VAL C CG1 1 +ATOM 2059 C CG2 . VAL C 1 18 ? -96.797 -72.641 -38.871 1.00 40.12 ? 18 VAL C CG2 1 +ATOM 2060 N N . THR C 1 19 ? -99.798 -71.987 -35.254 1.00 40.67 ? 19 THR C N 1 +ATOM 2061 C CA . THR C 1 19 ? -100.511 -71.208 -34.261 1.00 39.00 ? 19 THR C CA 1 +ATOM 2062 C C . THR C 1 19 ? -99.506 -70.678 -33.262 1.00 37.87 ? 19 THR C C 1 +ATOM 2063 O O . THR C 1 19 ? -98.543 -71.352 -32.892 1.00 39.29 ? 19 THR C O 1 +ATOM 2064 C CB . THR C 1 19 ? -101.562 -72.050 -33.524 1.00 38.88 ? 19 THR C CB 1 +ATOM 2065 O OG1 . THR C 1 19 ? -102.654 -72.311 -34.409 1.00 41.46 ? 19 THR C OG1 1 +ATOM 2066 C CG2 . THR C 1 19 ? -102.087 -71.311 -32.312 1.00 39.64 ? 19 THR C CG2 1 +ATOM 2067 N N . VAL C 1 20 ? -99.746 -69.460 -32.818 1.00 36.78 ? 20 VAL C N 1 +ATOM 2068 C CA . VAL C 1 20 ? -98.862 -68.809 -31.886 1.00 35.48 ? 20 VAL C CA 1 +ATOM 2069 C C . VAL C 1 20 ? -99.698 -68.464 -30.643 1.00 35.82 ? 20 VAL C C 1 +ATOM 2070 O O . VAL C 1 20 ? -100.805 -67.937 -30.765 1.00 36.25 ? 20 VAL C O 1 +ATOM 2071 C CB . VAL C 1 20 ? -98.265 -67.578 -32.602 1.00 35.13 ? 20 VAL C CB 1 +ATOM 2072 C CG1 . VAL C 1 20 ? -98.732 -66.306 -31.971 1.00 36.80 ? 20 VAL C CG1 1 +ATOM 2073 C CG2 . VAL C 1 20 ? -96.769 -67.692 -32.651 1.00 35.04 ? 20 VAL C CG2 1 +ATOM 2074 N N . ALA C 1 21 ? -99.187 -68.790 -29.455 1.00 34.70 ? 21 ALA C N 1 +ATOM 2075 C CA . ALA C 1 21 ? -99.912 -68.535 -28.204 1.00 34.44 ? 21 ALA C CA 1 +ATOM 2076 C C . ALA C 1 21 ? -99.204 -67.571 -27.260 1.00 34.54 ? 21 ALA C C 1 +ATOM 2077 O O . ALA C 1 21 ? -97.980 -67.486 -27.241 1.00 36.04 ? 21 ALA C O 1 +ATOM 2078 C CB . ALA C 1 21 ? -100.179 -69.845 -27.476 1.00 32.74 ? 21 ALA C CB 1 +ATOM 2079 N N . PRO C 1 22 ? -99.975 -66.830 -26.453 1.00 33.82 ? 22 PRO C N 1 +ATOM 2080 C CA . PRO C 1 22 ? -99.384 -65.874 -25.512 1.00 34.34 ? 22 PRO C CA 1 +ATOM 2081 C C . PRO C 1 22 ? -98.352 -66.539 -24.609 1.00 36.19 ? 22 PRO C C 1 +ATOM 2082 O O . PRO C 1 22 ? -98.527 -67.681 -24.195 1.00 38.31 ? 22 PRO C O 1 +ATOM 2083 C CB . PRO C 1 22 ? -100.591 -65.377 -24.724 1.00 32.37 ? 22 PRO C CB 1 +ATOM 2084 C CG . PRO C 1 22 ? -101.686 -65.456 -25.723 1.00 33.64 ? 22 PRO C CG 1 +ATOM 2085 C CD . PRO C 1 22 ? -101.443 -66.783 -26.393 1.00 32.46 ? 22 PRO C CD 1 +ATOM 2086 N N . SER C 1 23 ? -97.270 -65.841 -24.299 1.00 37.81 ? 23 SER C N 1 +ATOM 2087 C CA . SER C 1 23 ? -96.282 -66.441 -23.425 1.00 39.58 ? 23 SER C CA 1 +ATOM 2088 C C . SER C 1 23 ? -95.797 -65.477 -22.360 1.00 40.63 ? 23 SER C C 1 +ATOM 2089 O O . SER C 1 23 ? -95.532 -65.873 -21.227 1.00 44.07 ? 23 SER C O 1 +ATOM 2090 C CB . SER C 1 23 ? -95.085 -66.957 -24.230 1.00 39.46 ? 23 SER C CB 1 +ATOM 2091 O OG . SER C 1 23 ? -94.120 -65.945 -24.433 1.00 39.67 ? 23 SER C OG 1 +ATOM 2092 N N . ASN C 1 24 ? -95.718 -64.202 -22.698 1.00 41.12 ? 24 ASN C N 1 +ATOM 2093 C CA . ASN C 1 24 ? -95.207 -63.248 -21.740 1.00 42.67 ? 24 ASN C CA 1 +ATOM 2094 C C . ASN C 1 24 ? -95.622 -61.830 -22.099 1.00 42.46 ? 24 ASN C C 1 +ATOM 2095 O O . ASN C 1 24 ? -95.724 -61.489 -23.269 1.00 42.85 ? 24 ASN C O 1 +ATOM 2096 C CB . ASN C 1 24 ? -93.686 -63.356 -21.736 1.00 46.75 ? 24 ASN C CB 1 +ATOM 2097 C CG . ASN C 1 24 ? -93.049 -62.527 -20.662 1.00 52.40 ? 24 ASN C CG 1 +ATOM 2098 O OD1 . ASN C 1 24 ? -91.916 -62.071 -20.818 1.00 55.55 ? 24 ASN C OD1 1 +ATOM 2099 N ND2 . ASN C 1 24 ? -93.759 -62.336 -19.542 1.00 57.26 ? 24 ASN C ND2 1 +ATOM 2100 N N . PHE C 1 25 ? -95.852 -60.999 -21.093 1.00 42.16 ? 25 PHE C N 1 +ATOM 2101 C CA . PHE C 1 25 ? -96.256 -59.622 -21.333 1.00 42.66 ? 25 PHE C CA 1 +ATOM 2102 C C . PHE C 1 25 ? -95.552 -58.733 -20.317 1.00 43.97 ? 25 PHE C C 1 +ATOM 2103 O O . PHE C 1 25 ? -96.195 -57.995 -19.573 1.00 46.82 ? 25 PHE C O 1 +ATOM 2104 C CB . PHE C 1 25 ? -97.783 -59.493 -21.197 1.00 40.93 ? 25 PHE C CB 1 +ATOM 2105 C CG . PHE C 1 25 ? -98.355 -58.198 -21.730 1.00 40.10 ? 25 PHE C CG 1 +ATOM 2106 C CD1 . PHE C 1 25 ? -97.531 -57.185 -22.214 1.00 39.14 ? 25 PHE C CD1 1 +ATOM 2107 C CD2 . PHE C 1 25 ? -99.732 -57.998 -21.750 1.00 39.75 ? 25 PHE C CD2 1 +ATOM 2108 C CE1 . PHE C 1 25 ? -98.072 -55.994 -22.709 1.00 38.76 ? 25 PHE C CE1 1 +ATOM 2109 C CE2 . PHE C 1 25 ? -100.281 -56.810 -22.244 1.00 39.80 ? 25 PHE C CE2 1 +ATOM 2110 C CZ . PHE C 1 25 ? -99.446 -55.809 -22.723 1.00 39.08 ? 25 PHE C CZ 1 +ATOM 2111 N N . ALA C 1 26 ? -94.226 -58.803 -20.292 1.00 44.59 ? 26 ALA C N 1 +ATOM 2112 C CA . ALA C 1 26 ? -93.438 -58.008 -19.359 1.00 45.40 ? 26 ALA C CA 1 +ATOM 2113 C C . ALA C 1 26 ? -92.934 -56.694 -19.965 1.00 46.61 ? 26 ALA C C 1 +ATOM 2114 O O . ALA C 1 26 ? -92.528 -56.647 -21.128 1.00 46.70 ? 26 ALA C O 1 +ATOM 2115 C CB . ALA C 1 26 ? -92.259 -58.834 -18.860 1.00 44.65 ? 26 ALA C CB 1 +ATOM 2116 N N . ASN C 1 27 ? -92.972 -55.626 -19.173 1.00 48.18 ? 27 ASN C N 1 +ATOM 2117 C CA . ASN C 1 27 ? -92.493 -54.319 -19.626 1.00 49.19 ? 27 ASN C CA 1 +ATOM 2118 C C . ASN C 1 27 ? -93.192 -53.769 -20.866 1.00 47.62 ? 27 ASN C C 1 +ATOM 2119 O O . ASN C 1 27 ? -92.545 -53.171 -21.731 1.00 47.94 ? 27 ASN C O 1 +ATOM 2120 C CB . ASN C 1 27 ? -90.993 -54.386 -19.909 1.00 53.34 ? 27 ASN C CB 1 +ATOM 2121 C CG . ASN C 1 27 ? -90.187 -54.745 -18.677 1.00 57.98 ? 27 ASN C CG 1 +ATOM 2122 O OD1 . ASN C 1 27 ? -89.219 -55.518 -18.757 1.00 60.64 ? 27 ASN C OD1 1 +ATOM 2123 N ND2 . ASN C 1 27 ? -90.572 -54.181 -17.524 1.00 58.28 ? 27 ASN C ND2 1 +ATOM 2124 N N . GLY C 1 28 ? -94.501 -53.964 -20.957 1.00 44.51 ? 28 GLY C N 1 +ATOM 2125 C CA . GLY C 1 28 ? -95.223 -53.442 -22.099 1.00 41.39 ? 28 GLY C CA 1 +ATOM 2126 C C . GLY C 1 28 ? -94.941 -54.126 -23.421 1.00 38.88 ? 28 GLY C C 1 +ATOM 2127 O O . GLY C 1 28 ? -95.342 -53.622 -24.470 1.00 39.79 ? 28 GLY C O 1 +ATOM 2128 N N . VAL C 1 29 ? -94.253 -55.262 -23.390 1.00 36.47 ? 29 VAL C N 1 +ATOM 2129 C CA . VAL C 1 29 ? -93.971 -55.996 -24.620 1.00 34.17 ? 29 VAL C CA 1 +ATOM 2130 C C . VAL C 1 29 ? -94.693 -57.342 -24.593 1.00 33.14 ? 29 VAL C C 1 +ATOM 2131 O O . VAL C 1 29 ? -94.342 -58.223 -23.819 1.00 33.52 ? 29 VAL C O 1 +ATOM 2132 C CB . VAL C 1 29 ? -92.459 -56.248 -24.806 1.00 32.81 ? 29 VAL C CB 1 +ATOM 2133 C CG1 . VAL C 1 29 ? -92.220 -57.013 -26.095 1.00 31.24 ? 29 VAL C CG1 1 +ATOM 2134 C CG2 . VAL C 1 29 ? -91.711 -54.930 -24.832 1.00 30.73 ? 29 VAL C CG2 1 +ATOM 2135 N N . ALA C 1 30 ? -95.714 -57.483 -25.432 1.00 31.87 ? 30 ALA C N 1 +ATOM 2136 C CA . ALA C 1 30 ? -96.479 -58.717 -25.513 1.00 31.94 ? 30 ALA C CA 1 +ATOM 2137 C C . ALA C 1 30 ? -95.751 -59.679 -26.437 1.00 33.58 ? 30 ALA C C 1 +ATOM 2138 O O . ALA C 1 30 ? -95.277 -59.288 -27.500 1.00 35.62 ? 30 ALA C O 1 +ATOM 2139 C CB . ALA C 1 30 ? -97.871 -58.442 -26.043 1.00 30.06 ? 30 ALA C CB 1 +ATOM 2140 N N . GLU C 1 31 ? -95.671 -60.938 -26.029 1.00 34.26 ? 31 GLU C N 1 +ATOM 2141 C CA . GLU C 1 31 ? -94.981 -61.956 -26.803 1.00 34.09 ? 31 GLU C CA 1 +ATOM 2142 C C . GLU C 1 31 ? -95.829 -63.205 -27.026 1.00 34.33 ? 31 GLU C C 1 +ATOM 2143 O O . GLU C 1 31 ? -96.543 -63.649 -26.133 1.00 35.77 ? 31 GLU C O 1 +ATOM 2144 C CB . GLU C 1 31 ? -93.679 -62.324 -26.091 1.00 34.49 ? 31 GLU C CB 1 +ATOM 2145 C CG . GLU C 1 31 ? -92.961 -63.535 -26.657 1.00 39.91 ? 31 GLU C CG 1 +ATOM 2146 C CD . GLU C 1 31 ? -91.631 -63.804 -25.960 1.00 43.70 ? 31 GLU C CD 1 +ATOM 2147 O OE1 . GLU C 1 31 ? -90.683 -62.999 -26.140 1.00 45.85 ? 31 GLU C OE1 1 +ATOM 2148 O OE2 . GLU C 1 31 ? -91.535 -64.814 -25.224 1.00 45.64 ? 31 GLU C OE2 1 +ATOM 2149 N N . TRP C 1 32 ? -95.744 -63.756 -28.231 1.00 33.29 ? 32 TRP C N 1 +ATOM 2150 C CA . TRP C 1 32 ? -96.461 -64.970 -28.620 1.00 32.88 ? 32 TRP C CA 1 +ATOM 2151 C C . TRP C 1 32 ? -95.425 -65.962 -29.148 1.00 34.17 ? 32 TRP C C 1 +ATOM 2152 O O . TRP C 1 32 ? -94.508 -65.572 -29.868 1.00 34.79 ? 32 TRP C O 1 +ATOM 2153 C CB . TRP C 1 32 ? -97.440 -64.676 -29.747 1.00 31.52 ? 32 TRP C CB 1 +ATOM 2154 C CG . TRP C 1 32 ? -98.687 -63.936 -29.397 1.00 31.88 ? 32 TRP C CG 1 +ATOM 2155 C CD1 . TRP C 1 32 ? -99.919 -64.475 -29.168 1.00 31.14 ? 32 TRP C CD1 1 +ATOM 2156 C CD2 . TRP C 1 32 ? -98.862 -62.512 -29.365 1.00 31.18 ? 32 TRP C CD2 1 +ATOM 2157 N NE1 . TRP C 1 32 ? -100.852 -63.481 -29.010 1.00 30.90 ? 32 TRP C NE1 1 +ATOM 2158 C CE2 . TRP C 1 32 ? -100.232 -62.265 -29.125 1.00 30.39 ? 32 TRP C CE2 1 +ATOM 2159 C CE3 . TRP C 1 32 ? -97.994 -61.420 -29.522 1.00 28.85 ? 32 TRP C CE3 1 +ATOM 2160 C CZ2 . TRP C 1 32 ? -100.758 -60.971 -29.038 1.00 29.43 ? 32 TRP C CZ2 1 +ATOM 2161 C CZ3 . TRP C 1 32 ? -98.518 -60.134 -29.435 1.00 29.56 ? 32 TRP C CZ3 1 +ATOM 2162 C CH2 . TRP C 1 32 ? -99.891 -59.923 -29.196 1.00 28.78 ? 32 TRP C CH2 1 +ATOM 2163 N N . ILE C 1 33 ? -95.571 -67.239 -28.807 1.00 34.57 ? 33 ILE C N 1 +ATOM 2164 C CA . ILE C 1 33 ? -94.640 -68.272 -29.264 1.00 34.83 ? 33 ILE C CA 1 +ATOM 2165 C C . ILE C 1 33 ? -95.432 -69.479 -29.762 1.00 34.83 ? 33 ILE C C 1 +ATOM 2166 O O . ILE C 1 33 ? -96.500 -69.772 -29.234 1.00 35.40 ? 33 ILE C O 1 +ATOM 2167 C CB . ILE C 1 33 ? -93.721 -68.752 -28.113 1.00 35.66 ? 33 ILE C CB 1 +ATOM 2168 C CG1 . ILE C 1 33 ? -92.971 -67.572 -27.496 1.00 38.85 ? 33 ILE C CG1 1 +ATOM 2169 C CG2 . ILE C 1 33 ? -92.713 -69.745 -28.640 1.00 37.28 ? 33 ILE C CG2 1 +ATOM 2170 C CD1 . ILE C 1 33 ? -91.878 -66.991 -28.379 1.00 40.52 ? 33 ILE C CD1 1 +ATOM 2171 N N . SER C 1 34 ? -94.931 -70.172 -30.780 1.00 34.04 ? 34 SER C N 1 +ATOM 2172 C CA . SER C 1 34 ? -95.634 -71.355 -31.267 1.00 34.55 ? 34 SER C CA 1 +ATOM 2173 C C . SER C 1 34 ? -95.231 -72.507 -30.347 1.00 35.23 ? 34 SER C C 1 +ATOM 2174 O O . SER C 1 34 ? -94.282 -72.381 -29.572 1.00 34.18 ? 34 SER C O 1 +ATOM 2175 C CB . SER C 1 34 ? -95.274 -71.657 -32.724 1.00 33.08 ? 34 SER C CB 1 +ATOM 2176 O OG . SER C 1 34 ? -93.896 -71.911 -32.886 1.00 34.03 ? 34 SER C OG 1 +ATOM 2177 N N . SER C 1 35 ? -95.941 -73.627 -30.427 1.00 36.51 ? 35 SER C N 1 +ATOM 2178 C CA . SER C 1 35 ? -95.650 -74.757 -29.549 1.00 37.43 ? 35 SER C CA 1 +ATOM 2179 C C . SER C 1 35 ? -94.395 -75.581 -29.881 1.00 38.43 ? 35 SER C C 1 +ATOM 2180 O O . SER C 1 35 ? -93.766 -75.409 -30.930 1.00 37.53 ? 35 SER C O 1 +ATOM 2181 C CB . SER C 1 35 ? -96.872 -75.673 -29.474 1.00 37.80 ? 35 SER C CB 1 +ATOM 2182 O OG . SER C 1 35 ? -96.963 -76.283 -28.199 1.00 40.12 ? 35 SER C OG 1 +ATOM 2183 N N . ASN C 1 36 ? -94.059 -76.482 -28.957 1.00 38.82 ? 36 ASN C N 1 +ATOM 2184 C CA . ASN C 1 36 ? -92.888 -77.359 -29.028 1.00 39.38 ? 36 ASN C CA 1 +ATOM 2185 C C . ASN C 1 36 ? -91.599 -76.613 -28.718 1.00 37.68 ? 36 ASN C C 1 +ATOM 2186 O O . ASN C 1 36 ? -91.639 -75.516 -28.182 1.00 39.06 ? 36 ASN C O 1 +ATOM 2187 C CB . ASN C 1 36 ? -92.803 -78.074 -30.382 1.00 41.88 ? 36 ASN C CB 1 +ATOM 2188 C CG . ASN C 1 36 ? -93.286 -79.527 -30.301 1.00 46.24 ? 36 ASN C CG 1 +ATOM 2189 O OD1 . ASN C 1 36 ? -92.707 -80.349 -29.584 1.00 46.79 ? 36 ASN C OD1 1 +ATOM 2190 N ND2 . ASN C 1 36 ? -94.358 -79.840 -31.025 1.00 48.92 ? 36 ASN C ND2 1 +ATOM 2191 N N . SER C 1 37 ? -90.456 -77.207 -29.038 1.00 36.54 ? 37 SER C N 1 +ATOM 2192 C CA . SER C 1 37 ? -89.169 -76.583 -28.751 1.00 36.44 ? 37 SER C CA 1 +ATOM 2193 C C . SER C 1 37 ? -89.126 -75.088 -28.990 1.00 35.85 ? 37 SER C C 1 +ATOM 2194 O O . SER C 1 37 ? -89.425 -74.620 -30.081 1.00 36.23 ? 37 SER C O 1 +ATOM 2195 C CB . SER C 1 37 ? -88.069 -77.232 -29.580 1.00 37.07 ? 37 SER C CB 1 +ATOM 2196 O OG . SER C 1 37 ? -88.006 -78.612 -29.309 1.00 41.98 ? 37 SER C OG 1 +ATOM 2197 N N . ARG C 1 38 ? -88.742 -74.346 -27.957 1.00 34.61 ? 38 ARG C N 1 +ATOM 2198 C CA . ARG C 1 38 ? -88.620 -72.898 -28.037 1.00 34.20 ? 38 ARG C CA 1 +ATOM 2199 C C . ARG C 1 38 ? -87.592 -72.577 -29.129 1.00 34.71 ? 38 ARG C C 1 +ATOM 2200 O O . ARG C 1 38 ? -87.712 -71.582 -29.842 1.00 34.78 ? 38 ARG C O 1 +ATOM 2201 C CB . ARG C 1 38 ? -88.167 -72.369 -26.671 1.00 33.79 ? 38 ARG C CB 1 +ATOM 2202 C CG . ARG C 1 38 ? -87.850 -70.884 -26.563 1.00 35.47 ? 38 ARG C CG 1 +ATOM 2203 C CD . ARG C 1 38 ? -88.961 -69.994 -27.086 1.00 38.13 ? 38 ARG C CD 1 +ATOM 2204 N NE . ARG C 1 38 ? -88.542 -69.389 -28.345 1.00 44.38 ? 38 ARG C NE 1 +ATOM 2205 C CZ . ARG C 1 38 ? -87.880 -68.238 -28.450 1.00 44.04 ? 38 ARG C CZ 1 +ATOM 2206 N NH1 . ARG C 1 38 ? -87.576 -67.541 -27.365 1.00 45.71 ? 38 ARG C NH1 1 +ATOM 2207 N NH2 . ARG C 1 38 ? -87.485 -67.808 -29.641 1.00 44.03 ? 38 ARG C NH2 1 +ATOM 2208 N N . SER C 1 39 ? -86.600 -73.450 -29.274 1.00 34.48 ? 39 SER C N 1 +ATOM 2209 C CA . SER C 1 39 ? -85.544 -73.276 -30.261 1.00 34.81 ? 39 SER C CA 1 +ATOM 2210 C C . SER C 1 39 ? -86.026 -73.321 -31.713 1.00 35.15 ? 39 SER C C 1 +ATOM 2211 O O . SER C 1 39 ? -85.372 -72.763 -32.595 1.00 37.11 ? 39 SER C O 1 +ATOM 2212 C CB . SER C 1 39 ? -84.448 -74.326 -30.051 1.00 33.60 ? 39 SER C CB 1 +ATOM 2213 O OG . SER C 1 39 ? -84.947 -75.636 -30.242 1.00 32.56 ? 39 SER C OG 1 +ATOM 2214 N N . GLN C 1 40 ? -87.158 -73.972 -31.965 1.00 33.98 ? 40 GLN C N 1 +ATOM 2215 C CA . GLN C 1 40 ? -87.692 -74.061 -33.324 1.00 33.86 ? 40 GLN C CA 1 +ATOM 2216 C C . GLN C 1 40 ? -89.005 -73.304 -33.484 1.00 34.06 ? 40 GLN C C 1 +ATOM 2217 O O . GLN C 1 40 ? -89.679 -73.450 -34.498 1.00 34.10 ? 40 GLN C O 1 +ATOM 2218 C CB . GLN C 1 40 ? -87.959 -75.516 -33.702 1.00 31.98 ? 40 GLN C CB 1 +ATOM 2219 C CG . GLN C 1 40 ? -86.797 -76.439 -33.516 1.00 35.39 ? 40 GLN C CG 1 +ATOM 2220 C CD . GLN C 1 40 ? -87.055 -77.799 -34.124 1.00 37.47 ? 40 GLN C CD 1 +ATOM 2221 O OE1 . GLN C 1 40 ? -88.073 -78.433 -33.843 1.00 38.91 ? 40 GLN C OE1 1 +ATOM 2222 N NE2 . GLN C 1 40 ? -86.132 -78.257 -34.963 1.00 37.69 ? 40 GLN C NE2 1 +ATOM 2223 N N . ALA C 1 41 ? -89.358 -72.489 -32.496 1.00 33.16 ? 41 ALA C N 1 +ATOM 2224 C CA . ALA C 1 41 ? -90.629 -71.782 -32.523 1.00 32.24 ? 41 ALA C CA 1 +ATOM 2225 C C . ALA C 1 41 ? -90.700 -70.453 -33.252 1.00 32.09 ? 41 ALA C C 1 +ATOM 2226 O O . ALA C 1 41 ? -89.696 -69.766 -33.431 1.00 31.42 ? 41 ALA C O 1 +ATOM 2227 C CB . ALA C 1 41 ? -91.126 -71.597 -31.098 1.00 31.09 ? 41 ALA C CB 1 +ATOM 2228 N N . TYR C 1 42 ? -91.914 -70.116 -33.678 1.00 31.58 ? 42 TYR C N 1 +ATOM 2229 C CA . TYR C 1 42 ? -92.186 -68.846 -34.328 1.00 32.00 ? 42 TYR C CA 1 +ATOM 2230 C C . TYR C 1 42 ? -92.400 -67.874 -33.180 1.00 31.72 ? 42 TYR C C 1 +ATOM 2231 O O . TYR C 1 42 ? -92.930 -68.244 -32.140 1.00 32.08 ? 42 TYR C O 1 +ATOM 2232 C CB . TYR C 1 42 ? -93.460 -68.909 -35.165 1.00 32.83 ? 42 TYR C CB 1 +ATOM 2233 C CG . TYR C 1 42 ? -93.344 -69.686 -36.450 1.00 35.35 ? 42 TYR C CG 1 +ATOM 2234 C CD1 . TYR C 1 42 ? -93.123 -71.064 -36.441 1.00 35.73 ? 42 TYR C CD1 1 +ATOM 2235 C CD2 . TYR C 1 42 ? -93.487 -69.046 -37.686 1.00 36.05 ? 42 TYR C CD2 1 +ATOM 2236 C CE1 . TYR C 1 42 ? -93.055 -71.789 -37.631 1.00 36.83 ? 42 TYR C CE1 1 +ATOM 2237 C CE2 . TYR C 1 42 ? -93.420 -69.759 -38.881 1.00 36.50 ? 42 TYR C CE2 1 +ATOM 2238 C CZ . TYR C 1 42 ? -93.206 -71.129 -38.847 1.00 37.72 ? 42 TYR C CZ 1 +ATOM 2239 O OH . TYR C 1 42 ? -93.148 -71.839 -40.026 1.00 39.46 ? 42 TYR C OH 1 +ATOM 2240 N N . LYS C 1 43 ? -91.992 -66.630 -33.373 1.00 31.93 ? 43 LYS C N 1 +ATOM 2241 C CA . LYS C 1 43 ? -92.122 -65.626 -32.336 1.00 31.75 ? 43 LYS C CA 1 +ATOM 2242 C C . LYS C 1 43 ? -92.737 -64.344 -32.870 1.00 32.28 ? 43 LYS C C 1 +ATOM 2243 O O . LYS C 1 43 ? -92.445 -63.924 -33.983 1.00 32.86 ? 43 LYS C O 1 +ATOM 2244 C CB . LYS C 1 43 ? -90.743 -65.338 -31.755 1.00 31.98 ? 43 LYS C CB 1 +ATOM 2245 C CG . LYS C 1 43 ? -90.681 -64.224 -30.744 1.00 33.88 ? 43 LYS C CG 1 +ATOM 2246 C CD . LYS C 1 43 ? -89.254 -64.055 -30.284 1.00 37.33 ? 43 LYS C CD 1 +ATOM 2247 C CE . LYS C 1 43 ? -89.126 -62.949 -29.267 1.00 41.68 ? 43 LYS C CE 1 +ATOM 2248 N NZ . LYS C 1 43 ? -87.705 -62.765 -28.850 1.00 44.35 ? 43 LYS C NZ 1 +ATOM 2249 N N . VAL C 1 44 ? -93.603 -63.734 -32.072 1.00 31.33 ? 44 VAL C N 1 +ATOM 2250 C CA . VAL C 1 44 ? -94.243 -62.480 -32.440 1.00 30.17 ? 44 VAL C CA 1 +ATOM 2251 C C . VAL C 1 44 ? -94.243 -61.604 -31.202 1.00 31.01 ? 44 VAL C C 1 +ATOM 2252 O O . VAL C 1 44 ? -94.579 -62.068 -30.124 1.00 32.58 ? 44 VAL C O 1 +ATOM 2253 C CB . VAL C 1 44 ? -95.723 -62.677 -32.875 1.00 28.71 ? 44 VAL C CB 1 +ATOM 2254 C CG1 . VAL C 1 44 ? -96.346 -61.340 -33.215 1.00 25.69 ? 44 VAL C CG1 1 +ATOM 2255 C CG2 . VAL C 1 44 ? -95.808 -63.612 -34.057 1.00 27.89 ? 44 VAL C CG2 1 +ATOM 2256 N N . THR C 1 45 ? -93.837 -60.350 -31.338 1.00 30.65 ? 45 THR C N 1 +ATOM 2257 C CA . THR C 1 45 ? -93.874 -59.441 -30.201 1.00 30.80 ? 45 THR C CA 1 +ATOM 2258 C C . THR C 1 45 ? -94.534 -58.158 -30.670 1.00 31.84 ? 45 THR C C 1 +ATOM 2259 O O . THR C 1 45 ? -94.547 -57.857 -31.863 1.00 31.14 ? 45 THR C O 1 +ATOM 2260 C CB . THR C 1 45 ? -92.483 -59.133 -29.633 1.00 29.70 ? 45 THR C CB 1 +ATOM 2261 O OG1 . THR C 1 45 ? -91.700 -58.457 -30.615 1.00 31.35 ? 45 THR C OG1 1 +ATOM 2262 C CG2 . THR C 1 45 ? -91.792 -60.402 -29.227 1.00 29.42 ? 45 THR C CG2 1 +ATOM 2263 N N . CYS C 1 46 ? -95.100 -57.411 -29.729 1.00 32.90 ? 46 CYS C N 1 +ATOM 2264 C CA . CYS C 1 46 ? -95.788 -56.173 -30.053 1.00 32.89 ? 46 CYS C CA 1 +ATOM 2265 C C . CYS C 1 46 ? -95.837 -55.221 -28.859 1.00 33.55 ? 46 CYS C C 1 +ATOM 2266 O O . CYS C 1 46 ? -95.918 -55.655 -27.713 1.00 33.74 ? 46 CYS C O 1 +ATOM 2267 C CB . CYS C 1 46 ? -97.207 -56.504 -30.510 1.00 32.24 ? 46 CYS C CB 1 +ATOM 2268 S SG . CYS C 1 46 ? -98.221 -55.085 -30.910 1.00 36.19 ? 46 CYS C SG 1 +ATOM 2269 N N . SER C 1 47 ? -95.777 -53.923 -29.130 1.00 33.73 ? 47 SER C N 1 +ATOM 2270 C CA . SER C 1 47 ? -95.844 -52.927 -28.070 1.00 33.90 ? 47 SER C CA 1 +ATOM 2271 C C . SER C 1 47 ? -96.225 -51.569 -28.642 1.00 34.92 ? 47 SER C C 1 +ATOM 2272 O O . SER C 1 47 ? -96.067 -51.335 -29.833 1.00 36.22 ? 47 SER C O 1 +ATOM 2273 C CB . SER C 1 47 ? -94.502 -52.820 -27.352 1.00 33.07 ? 47 SER C CB 1 +ATOM 2274 O OG . SER C 1 47 ? -93.533 -52.207 -28.177 1.00 34.16 ? 47 SER C OG 1 +ATOM 2275 N N . VAL C 1 48 ? -96.750 -50.691 -27.793 1.00 36.04 ? 48 VAL C N 1 +ATOM 2276 C CA . VAL C 1 48 ? -97.135 -49.342 -28.206 1.00 36.84 ? 48 VAL C CA 1 +ATOM 2277 C C . VAL C 1 48 ? -96.597 -48.360 -27.189 1.00 38.10 ? 48 VAL C C 1 +ATOM 2278 O O . VAL C 1 48 ? -96.474 -48.679 -26.014 1.00 39.26 ? 48 VAL C O 1 +ATOM 2279 C CB . VAL C 1 48 ? -98.659 -49.109 -28.221 1.00 36.47 ? 48 VAL C CB 1 +ATOM 2280 C CG1 . VAL C 1 48 ? -99.062 -48.416 -29.511 1.00 34.82 ? 48 VAL C CG1 1 +ATOM 2281 C CG2 . VAL C 1 48 ? -99.397 -50.399 -28.008 1.00 38.39 ? 48 VAL C CG2 1 +ATOM 2282 N N . ARG C 1 49 ? -96.290 -47.159 -27.641 1.00 39.91 ? 49 ARG C N 1 +ATOM 2283 C CA . ARG C 1 49 ? -95.798 -46.142 -26.740 1.00 42.46 ? 49 ARG C CA 1 +ATOM 2284 C C . ARG C 1 49 ? -96.066 -44.782 -27.350 1.00 43.76 ? 49 ARG C C 1 +ATOM 2285 O O . ARG C 1 49 ? -96.343 -44.662 -28.543 1.00 43.42 ? 49 ARG C O 1 +ATOM 2286 C CB . ARG C 1 49 ? -94.298 -46.312 -26.503 1.00 43.21 ? 49 ARG C CB 1 +ATOM 2287 C CG . ARG C 1 49 ? -93.470 -46.074 -27.737 1.00 48.60 ? 49 ARG C CG 1 +ATOM 2288 C CD . ARG C 1 49 ? -91.979 -46.252 -27.465 1.00 54.74 ? 49 ARG C CD 1 +ATOM 2289 N NE . ARG C 1 49 ? -91.208 -46.378 -28.707 1.00 58.99 ? 49 ARG C NE 1 +ATOM 2290 C CZ . ARG C 1 49 ? -91.410 -47.323 -29.633 1.00 62.55 ? 49 ARG C CZ 1 +ATOM 2291 N NH1 . ARG C 1 49 ? -92.376 -48.248 -29.471 1.00 62.31 ? 49 ARG C NH1 1 +ATOM 2292 N NH2 . ARG C 1 49 ? -90.644 -47.352 -30.729 1.00 62.85 ? 49 ARG C NH2 1 +ATOM 2293 N N . GLN C 1 50 ? -96.006 -43.762 -26.506 1.00 45.34 ? 50 GLN C N 1 +ATOM 2294 C CA . GLN C 1 50 ? -96.203 -42.386 -26.924 1.00 46.14 ? 50 GLN C CA 1 +ATOM 2295 C C . GLN C 1 50 ? -94.783 -41.959 -27.328 1.00 47.38 ? 50 GLN C C 1 +ATOM 2296 O O . GLN C 1 50 ? -93.985 -41.563 -26.475 1.00 47.07 ? 50 GLN C O 1 +ATOM 2297 C CB . GLN C 1 50 ? -96.689 -41.579 -25.724 1.00 46.85 ? 50 GLN C CB 1 +ATOM 2298 C CG . GLN C 1 50 ? -97.258 -40.216 -26.028 1.00 50.13 ? 50 GLN C CG 1 +ATOM 2299 C CD . GLN C 1 50 ? -98.647 -40.297 -26.630 1.00 52.10 ? 50 GLN C CD 1 +ATOM 2300 O OE1 . GLN C 1 50 ? -99.466 -41.139 -26.232 1.00 53.22 ? 50 GLN C OE1 1 +ATOM 2301 N NE2 . GLN C 1 50 ? -98.930 -39.410 -27.587 1.00 52.11 ? 50 GLN C NE2 1 +ATOM 2302 N N . SER C 1 51 ? -94.460 -42.065 -28.618 1.00 48.87 ? 51 SER C N 1 +ATOM 2303 C CA . SER C 1 51 ? -93.121 -41.717 -29.100 1.00 50.55 ? 51 SER C CA 1 +ATOM 2304 C C . SER C 1 51 ? -92.832 -40.231 -28.953 1.00 51.74 ? 51 SER C C 1 +ATOM 2305 O O . SER C 1 51 ? -91.671 -39.817 -28.810 1.00 53.33 ? 51 SER C O 1 +ATOM 2306 C CB . SER C 1 51 ? -92.939 -42.143 -30.566 1.00 50.28 ? 51 SER C CB 1 +ATOM 2307 O OG . SER C 1 51 ? -93.792 -41.421 -31.442 1.00 51.76 ? 51 SER C OG 1 +ATOM 2308 N N . SER C 1 52 ? -93.887 -39.427 -28.996 1.00 51.77 ? 52 SER C N 1 +ATOM 2309 C CA . SER C 1 52 ? -93.741 -37.990 -28.843 1.00 52.77 ? 52 SER C CA 1 +ATOM 2310 C C . SER C 1 52 ? -95.089 -37.435 -28.424 1.00 53.38 ? 52 SER C C 1 +ATOM 2311 O O . SER C 1 52 ? -96.048 -38.190 -28.226 1.00 52.83 ? 52 SER C O 1 +ATOM 2312 C CB . SER C 1 52 ? -93.300 -37.335 -30.156 1.00 52.59 ? 52 SER C CB 1 +ATOM 2313 O OG . SER C 1 52 ? -94.412 -37.114 -31.013 1.00 54.51 ? 52 SER C OG 1 +ATOM 2314 N N . ALA C 1 53 ? -95.161 -36.114 -28.301 1.00 54.11 ? 53 ALA C N 1 +ATOM 2315 C CA . ALA C 1 53 ? -96.397 -35.465 -27.887 1.00 54.34 ? 53 ALA C CA 1 +ATOM 2316 C C . ALA C 1 53 ? -97.573 -35.793 -28.798 1.00 54.14 ? 53 ALA C C 1 +ATOM 2317 O O . ALA C 1 53 ? -98.685 -36.022 -28.317 1.00 54.38 ? 53 ALA C O 1 +ATOM 2318 C CB . ALA C 1 53 ? -96.198 -33.954 -27.824 1.00 54.59 ? 53 ALA C CB 1 +ATOM 2319 N N . GLN C 1 54 ? -97.335 -35.837 -30.107 1.00 53.75 ? 54 GLN C N 1 +ATOM 2320 C CA . GLN C 1 54 ? -98.422 -36.103 -31.041 1.00 53.14 ? 54 GLN C CA 1 +ATOM 2321 C C . GLN C 1 54 ? -98.470 -37.501 -31.634 1.00 49.79 ? 54 GLN C C 1 +ATOM 2322 O O . GLN C 1 54 ? -99.440 -37.856 -32.309 1.00 48.57 ? 54 GLN C O 1 +ATOM 2323 C CB . GLN C 1 54 ? -98.376 -35.096 -32.189 1.00 57.71 ? 54 GLN C CB 1 +ATOM 2324 C CG . GLN C 1 54 ? -98.184 -33.647 -31.744 1.00 65.21 ? 54 GLN C CG 1 +ATOM 2325 C CD . GLN C 1 54 ? -98.713 -32.651 -32.785 1.00 69.67 ? 54 GLN C CD 1 +ATOM 2326 O OE1 . GLN C 1 54 ? -98.422 -32.768 -33.998 1.00 71.43 ? 54 GLN C OE1 1 +ATOM 2327 N NE2 . GLN C 1 54 ? -99.499 -31.665 -32.317 1.00 70.31 ? 54 GLN C NE2 1 +ATOM 2328 N N . ASN C 1 55 ? -97.442 -38.303 -31.386 1.00 46.78 ? 55 ASN C N 1 +ATOM 2329 C CA . ASN C 1 55 ? -97.421 -39.635 -31.966 1.00 44.40 ? 55 ASN C CA 1 +ATOM 2330 C C . ASN C 1 55 ? -97.387 -40.823 -31.038 1.00 42.65 ? 55 ASN C C 1 +ATOM 2331 O O . ASN C 1 55 ? -96.772 -40.798 -29.969 1.00 42.17 ? 55 ASN C O 1 +ATOM 2332 C CB . ASN C 1 55 ? -96.233 -39.787 -32.920 1.00 45.49 ? 55 ASN C CB 1 +ATOM 2333 C CG . ASN C 1 55 ? -96.337 -38.900 -34.134 1.00 45.57 ? 55 ASN C CG 1 +ATOM 2334 O OD1 . ASN C 1 55 ? -97.401 -38.779 -34.742 1.00 46.11 ? 55 ASN C OD1 1 +ATOM 2335 N ND2 . ASN C 1 55 ? -95.221 -38.285 -34.509 1.00 46.91 ? 55 ASN C ND2 1 +ATOM 2336 N N . ARG C 1 56 ? -98.058 -41.877 -31.485 1.00 40.97 ? 56 ARG C N 1 +ATOM 2337 C CA . ARG C 1 56 ? -98.062 -43.146 -30.788 1.00 40.30 ? 56 ARG C CA 1 +ATOM 2338 C C . ARG C 1 56 ? -97.332 -44.054 -31.779 1.00 39.11 ? 56 ARG C C 1 +ATOM 2339 O O . ARG C 1 56 ? -97.464 -43.897 -32.991 1.00 38.79 ? 56 ARG C O 1 +ATOM 2340 C CB . ARG C 1 56 ? -99.480 -43.620 -30.512 1.00 39.19 ? 56 ARG C CB 1 +ATOM 2341 C CG . ARG C 1 56 ? -100.127 -42.874 -29.357 1.00 43.18 ? 56 ARG C CG 1 +ATOM 2342 C CD . ARG C 1 56 ? -101.123 -43.774 -28.680 1.00 46.01 ? 56 ARG C CD 1 +ATOM 2343 N NE . ARG C 1 56 ? -101.879 -44.490 -29.701 1.00 51.19 ? 56 ARG C NE 1 +ATOM 2344 C CZ . ARG C 1 56 ? -102.331 -45.731 -29.567 1.00 53.33 ? 56 ARG C CZ 1 +ATOM 2345 N NH1 . ARG C 1 56 ? -102.106 -46.412 -28.434 1.00 53.34 ? 56 ARG C NH1 1 +ATOM 2346 N NH2 . ARG C 1 56 ? -102.996 -46.293 -30.572 1.00 51.32 ? 56 ARG C NH2 1 +ATOM 2347 N N . LYS C 1 57 ? -96.552 -44.993 -31.270 1.00 37.72 ? 57 LYS C N 1 +ATOM 2348 C CA . LYS C 1 57 ? -95.771 -45.833 -32.146 1.00 36.83 ? 57 LYS C CA 1 +ATOM 2349 C C . LYS C 1 57 ? -95.862 -47.308 -31.803 1.00 36.52 ? 57 LYS C C 1 +ATOM 2350 O O . LYS C 1 57 ? -95.669 -47.696 -30.655 1.00 37.56 ? 57 LYS C O 1 +ATOM 2351 C CB . LYS C 1 57 ? -94.330 -45.357 -32.051 1.00 38.61 ? 57 LYS C CB 1 +ATOM 2352 C CG . LYS C 1 57 ? -93.391 -45.815 -33.123 1.00 41.87 ? 57 LYS C CG 1 +ATOM 2353 C CD . LYS C 1 57 ? -92.096 -45.053 -32.930 1.00 46.91 ? 57 LYS C CD 1 +ATOM 2354 C CE . LYS C 1 57 ? -91.123 -45.222 -34.082 1.00 51.50 ? 57 LYS C CE 1 +ATOM 2355 N NZ . LYS C 1 57 ? -90.025 -44.188 -33.989 1.00 55.45 ? 57 LYS C NZ 1 +ATOM 2356 N N . TYR C 1 58 ? -96.163 -48.129 -32.805 1.00 34.69 ? 58 TYR C N 1 +ATOM 2357 C CA . TYR C 1 58 ? -96.243 -49.572 -32.615 1.00 32.72 ? 58 TYR C CA 1 +ATOM 2358 C C . TYR C 1 58 ? -94.960 -50.204 -33.109 1.00 33.18 ? 58 TYR C C 1 +ATOM 2359 O O . TYR C 1 58 ? -94.467 -49.845 -34.166 1.00 33.75 ? 58 TYR C O 1 +ATOM 2360 C CB . TYR C 1 58 ? -97.388 -50.179 -33.416 1.00 30.33 ? 58 TYR C CB 1 +ATOM 2361 C CG . TYR C 1 58 ? -98.766 -49.857 -32.911 1.00 31.76 ? 58 TYR C CG 1 +ATOM 2362 C CD1 . TYR C 1 58 ? -99.391 -48.655 -33.237 1.00 30.57 ? 58 TYR C CD1 1 +ATOM 2363 C CD2 . TYR C 1 58 ? -99.467 -50.777 -32.130 1.00 31.36 ? 58 TYR C CD2 1 +ATOM 2364 C CE1 . TYR C 1 58 ? -100.683 -48.381 -32.802 1.00 30.32 ? 58 TYR C CE1 1 +ATOM 2365 C CE2 . TYR C 1 58 ? -100.753 -50.512 -31.691 1.00 31.33 ? 58 TYR C CE2 1 +ATOM 2366 C CZ . TYR C 1 58 ? -101.357 -49.317 -32.031 1.00 32.19 ? 58 TYR C CZ 1 +ATOM 2367 O OH . TYR C 1 58 ? -102.639 -49.071 -31.616 1.00 32.48 ? 58 TYR C OH 1 +ATOM 2368 N N . THR C 1 59 ? -94.413 -51.130 -32.336 1.00 33.50 ? 59 THR C N 1 +ATOM 2369 C CA . THR C 1 59 ? -93.211 -51.843 -32.746 1.00 34.01 ? 59 THR C CA 1 +ATOM 2370 C C . THR C 1 59 ? -93.619 -53.309 -32.759 1.00 35.00 ? 59 THR C C 1 +ATOM 2371 O O . THR C 1 59 ? -94.034 -53.853 -31.735 1.00 36.80 ? 59 THR C O 1 +ATOM 2372 C CB . THR C 1 59 ? -92.048 -51.634 -31.770 1.00 33.57 ? 59 THR C CB 1 +ATOM 2373 O OG1 . THR C 1 59 ? -91.690 -50.250 -31.749 1.00 35.74 ? 59 THR C OG1 1 +ATOM 2374 C CG2 . THR C 1 59 ? -90.843 -52.438 -32.209 1.00 32.03 ? 59 THR C CG2 1 +ATOM 2375 N N . ILE C 1 60 ? -93.516 -53.938 -33.925 1.00 33.79 ? 60 ILE C N 1 +ATOM 2376 C CA . ILE C 1 60 ? -93.907 -55.332 -34.095 1.00 32.61 ? 60 ILE C CA 1 +ATOM 2377 C C . ILE C 1 60 ? -92.767 -56.161 -34.659 1.00 33.76 ? 60 ILE C C 1 +ATOM 2378 O O . ILE C 1 60 ? -92.042 -55.706 -35.534 1.00 34.53 ? 60 ILE C O 1 +ATOM 2379 C CB . ILE C 1 60 ? -95.105 -55.429 -35.050 1.00 31.67 ? 60 ILE C CB 1 +ATOM 2380 C CG1 . ILE C 1 60 ? -96.262 -54.591 -34.503 1.00 31.78 ? 60 ILE C CG1 1 +ATOM 2381 C CG2 . ILE C 1 60 ? -95.512 -56.871 -35.243 1.00 29.38 ? 60 ILE C CG2 1 +ATOM 2382 C CD1 . ILE C 1 60 ? -97.372 -54.355 -35.498 1.00 32.90 ? 60 ILE C CD1 1 +ATOM 2383 N N . LYS C 1 61 ? -92.599 -57.376 -34.152 1.00 33.96 ? 61 LYS C N 1 +ATOM 2384 C CA . LYS C 1 61 ? -91.544 -58.248 -34.645 1.00 34.12 ? 61 LYS C CA 1 +ATOM 2385 C C . LYS C 1 61 ? -92.039 -59.648 -34.873 1.00 33.01 ? 61 LYS C C 1 +ATOM 2386 O O . LYS C 1 61 ? -92.865 -60.155 -34.125 1.00 34.11 ? 61 LYS C O 1 +ATOM 2387 C CB . LYS C 1 61 ? -90.373 -58.289 -33.673 1.00 37.13 ? 61 LYS C CB 1 +ATOM 2388 C CG . LYS C 1 61 ? -89.741 -56.935 -33.471 1.00 45.15 ? 61 LYS C CG 1 +ATOM 2389 C CD . LYS C 1 61 ? -88.464 -57.011 -32.647 1.00 51.23 ? 61 LYS C CD 1 +ATOM 2390 C CE . LYS C 1 61 ? -87.920 -55.602 -32.394 1.00 53.60 ? 61 LYS C CE 1 +ATOM 2391 N NZ . LYS C 1 61 ? -86.629 -55.644 -31.637 1.00 59.07 ? 61 LYS C NZ 1 +ATOM 2392 N N . VAL C 1 62 ? -91.532 -60.266 -35.930 1.00 32.06 ? 62 VAL C N 1 +ATOM 2393 C CA . VAL C 1 62 ? -91.896 -61.631 -36.261 1.00 30.74 ? 62 VAL C CA 1 +ATOM 2394 C C . VAL C 1 62 ? -90.631 -62.393 -36.613 1.00 31.25 ? 62 VAL C C 1 +ATOM 2395 O O . VAL C 1 62 ? -89.711 -61.848 -37.209 1.00 30.49 ? 62 VAL C O 1 +ATOM 2396 C CB . VAL C 1 62 ? -92.877 -61.685 -37.453 1.00 29.92 ? 62 VAL C CB 1 +ATOM 2397 C CG1 . VAL C 1 62 ? -93.187 -63.127 -37.805 1.00 27.89 ? 62 VAL C CG1 1 +ATOM 2398 C CG2 . VAL C 1 62 ? -94.156 -60.948 -37.103 1.00 28.08 ? 62 VAL C CG2 1 +ATOM 2399 N N . GLU C 1 63 ? -90.582 -63.652 -36.206 1.00 31.94 ? 63 GLU C N 1 +ATOM 2400 C CA . GLU C 1 63 ? -89.442 -64.504 -36.492 1.00 32.36 ? 63 GLU C CA 1 +ATOM 2401 C C . GLU C 1 63 ? -89.941 -65.800 -37.098 1.00 32.83 ? 63 GLU C C 1 +ATOM 2402 O O . GLU C 1 63 ? -90.774 -66.482 -36.513 1.00 33.15 ? 63 GLU C O 1 +ATOM 2403 C CB . GLU C 1 63 ? -88.663 -64.806 -35.217 1.00 32.63 ? 63 GLU C CB 1 +ATOM 2404 C CG . GLU C 1 63 ? -87.851 -63.646 -34.703 1.00 35.03 ? 63 GLU C CG 1 +ATOM 2405 C CD . GLU C 1 63 ? -87.035 -64.015 -33.479 1.00 38.00 ? 63 GLU C CD 1 +ATOM 2406 O OE1 . GLU C 1 63 ? -86.746 -65.218 -33.315 1.00 39.21 ? 63 GLU C OE1 1 +ATOM 2407 O OE2 . GLU C 1 63 ? -86.666 -63.109 -32.692 1.00 39.43 ? 63 GLU C OE2 1 +ATOM 2408 N N . VAL C 1 64 ? -89.449 -66.121 -38.288 1.00 32.54 ? 64 VAL C N 1 +ATOM 2409 C CA . VAL C 1 64 ? -89.832 -67.358 -38.955 1.00 32.91 ? 64 VAL C CA 1 +ATOM 2410 C C . VAL C 1 64 ? -88.594 -68.247 -38.977 1.00 33.18 ? 64 VAL C C 1 +ATOM 2411 O O . VAL C 1 64 ? -87.569 -67.896 -39.563 1.00 33.91 ? 64 VAL C O 1 +ATOM 2412 C CB . VAL C 1 64 ? -90.323 -67.096 -40.387 1.00 31.87 ? 64 VAL C CB 1 +ATOM 2413 C CG1 . VAL C 1 64 ? -90.686 -68.406 -41.060 1.00 30.95 ? 64 VAL C CG1 1 +ATOM 2414 C CG2 . VAL C 1 64 ? -91.527 -66.180 -40.349 1.00 31.18 ? 64 VAL C CG2 1 +ATOM 2415 N N . PRO C 1 65 ? -88.670 -69.416 -38.325 1.00 33.25 ? 65 PRO C N 1 +ATOM 2416 C CA . PRO C 1 65 ? -87.527 -70.321 -38.289 1.00 32.76 ? 65 PRO C CA 1 +ATOM 2417 C C . PRO C 1 65 ? -87.506 -71.343 -39.404 1.00 33.14 ? 65 PRO C C 1 +ATOM 2418 O O . PRO C 1 65 ? -88.529 -71.649 -40.015 1.00 31.82 ? 65 PRO C O 1 +ATOM 2419 C CB . PRO C 1 65 ? -87.693 -70.991 -36.941 1.00 32.81 ? 65 PRO C CB 1 +ATOM 2420 C CG . PRO C 1 65 ? -89.166 -71.232 -36.924 1.00 31.57 ? 65 PRO C CG 1 +ATOM 2421 C CD . PRO C 1 65 ? -89.744 -69.913 -37.445 1.00 31.91 ? 65 PRO C CD 1 +ATOM 2422 N N . LYS C 1 66 ? -86.311 -71.852 -39.662 1.00 33.90 ? 66 LYS C N 1 +ATOM 2423 C CA . LYS C 1 66 ? -86.118 -72.903 -40.639 1.00 35.95 ? 66 LYS C CA 1 +ATOM 2424 C C . LYS C 1 66 ? -85.779 -74.096 -39.753 1.00 37.10 ? 66 LYS C C 1 +ATOM 2425 O O . LYS C 1 66 ? -84.651 -74.240 -39.280 1.00 36.55 ? 66 LYS C O 1 +ATOM 2426 C CB . LYS C 1 66 ? -84.956 -72.587 -41.576 1.00 35.53 ? 66 LYS C CB 1 +ATOM 2427 C CG . LYS C 1 66 ? -84.645 -73.711 -42.561 1.00 35.05 ? 66 LYS C CG 1 +ATOM 2428 C CD . LYS C 1 66 ? -85.857 -74.084 -43.397 1.00 34.79 ? 66 LYS C CD 1 +ATOM 2429 C CE . LYS C 1 66 ? -85.504 -75.152 -44.414 1.00 35.19 ? 66 LYS C CE 1 +ATOM 2430 N NZ . LYS C 1 66 ? -86.658 -75.495 -45.295 1.00 36.98 ? 66 LYS C NZ 1 +ATOM 2431 N N . VAL C 1 67 ? -86.780 -74.929 -39.506 1.00 38.39 ? 67 VAL C N 1 +ATOM 2432 C CA . VAL C 1 67 ? -86.626 -76.100 -38.659 1.00 39.26 ? 67 VAL C CA 1 +ATOM 2433 C C . VAL C 1 67 ? -85.598 -77.096 -39.178 1.00 40.81 ? 67 VAL C C 1 +ATOM 2434 O O . VAL C 1 67 ? -85.619 -77.487 -40.344 1.00 42.21 ? 67 VAL C O 1 +ATOM 2435 C CB . VAL C 1 67 ? -87.981 -76.806 -38.480 1.00 38.62 ? 67 VAL C CB 1 +ATOM 2436 C CG1 . VAL C 1 67 ? -87.790 -78.159 -37.831 1.00 40.38 ? 67 VAL C CG1 1 +ATOM 2437 C CG2 . VAL C 1 67 ? -88.895 -75.939 -37.630 1.00 37.74 ? 67 VAL C CG2 1 +ATOM 2438 N N . ALA C 1 68 ? -84.701 -77.514 -38.294 1.00 41.86 ? 68 ALA C N 1 +ATOM 2439 C CA . ALA C 1 68 ? -83.663 -78.467 -38.652 1.00 43.17 ? 68 ALA C CA 1 +ATOM 2440 C C . ALA C 1 68 ? -83.153 -79.185 -37.403 1.00 44.71 ? 68 ALA C C 1 +ATOM 2441 O O . ALA C 1 68 ? -83.415 -78.755 -36.278 1.00 45.48 ? 68 ALA C O 1 +ATOM 2442 C CB . ALA C 1 68 ? -82.516 -77.742 -39.341 1.00 42.14 ? 68 ALA C CB 1 +ATOM 2443 N N . THR C 1 69 ? -82.431 -80.282 -37.610 1.00 45.42 ? 69 THR C N 1 +ATOM 2444 C CA . THR C 1 69 ? -81.865 -81.044 -36.505 1.00 44.80 ? 69 THR C CA 1 +ATOM 2445 C C . THR C 1 69 ? -80.359 -80.863 -36.500 1.00 46.26 ? 69 THR C C 1 +ATOM 2446 O O . THR C 1 69 ? -79.706 -81.040 -37.526 1.00 48.53 ? 69 THR C O 1 +ATOM 2447 C CB . THR C 1 69 ? -82.147 -82.531 -36.653 1.00 43.80 ? 69 THR C CB 1 +ATOM 2448 O OG1 . THR C 1 69 ? -83.552 -82.766 -36.512 1.00 44.75 ? 69 THR C OG1 1 +ATOM 2449 C CG2 . THR C 1 69 ? -81.374 -83.320 -35.602 1.00 44.18 ? 69 THR C CG2 1 +ATOM 2450 N N . GLN C 1 70 ? -79.802 -80.503 -35.354 1.00 46.39 ? 70 GLN C N 1 +ATOM 2451 C CA . GLN C 1 70 ? -78.360 -80.332 -35.273 1.00 47.26 ? 70 GLN C CA 1 +ATOM 2452 C C . GLN C 1 70 ? -77.730 -81.586 -34.684 1.00 49.42 ? 70 GLN C C 1 +ATOM 2453 O O . GLN C 1 70 ? -78.262 -82.175 -33.743 1.00 49.59 ? 70 GLN C O 1 +ATOM 2454 C CB . GLN C 1 70 ? -78.006 -79.148 -34.396 1.00 46.37 ? 70 GLN C CB 1 +ATOM 2455 C CG . GLN C 1 70 ? -76.523 -78.945 -34.275 1.00 47.61 ? 70 GLN C CG 1 +ATOM 2456 C CD . GLN C 1 70 ? -76.181 -77.853 -33.283 1.00 49.96 ? 70 GLN C CD 1 +ATOM 2457 O OE1 . GLN C 1 70 ? -76.373 -78.019 -32.078 1.00 50.57 ? 70 GLN C OE1 1 +ATOM 2458 N NE2 . GLN C 1 70 ? -75.684 -76.718 -33.785 1.00 50.97 ? 70 GLN C NE2 1 +ATOM 2459 N N . THR C 1 71 ? -76.604 -82.009 -35.249 1.00 51.16 ? 71 THR C N 1 +ATOM 2460 C CA . THR C 1 71 ? -75.922 -83.190 -34.736 1.00 51.53 ? 71 THR C CA 1 +ATOM 2461 C C . THR C 1 71 ? -74.464 -82.875 -34.491 1.00 52.38 ? 71 THR C C 1 +ATOM 2462 O O . THR C 1 71 ? -73.726 -82.507 -35.410 1.00 52.94 ? 71 THR C O 1 +ATOM 2463 C CB . THR C 1 71 ? -76.010 -84.385 -35.700 1.00 50.17 ? 71 THR C CB 1 +ATOM 2464 O OG1 . THR C 1 71 ? -77.387 -84.736 -35.909 1.00 50.14 ? 71 THR C OG1 1 +ATOM 2465 C CG2 . THR C 1 71 ? -75.280 -85.580 -35.105 1.00 49.56 ? 71 THR C CG2 1 +ATOM 2466 N N . VAL C 1 72 ? -74.060 -82.992 -33.235 1.00 53.69 ? 72 VAL C N 1 +ATOM 2467 C CA . VAL C 1 72 ? -72.682 -82.736 -32.851 1.00 55.15 ? 72 VAL C CA 1 +ATOM 2468 C C . VAL C 1 72 ? -72.232 -83.825 -31.877 1.00 55.97 ? 72 VAL C C 1 +ATOM 2469 O O . VAL C 1 72 ? -72.865 -84.052 -30.831 1.00 56.80 ? 72 VAL C O 1 +ATOM 2470 C CB . VAL C 1 72 ? -72.533 -81.352 -32.203 1.00 54.58 ? 72 VAL C CB 1 +ATOM 2471 C CG1 . VAL C 1 72 ? -71.087 -81.134 -31.779 1.00 55.21 ? 72 VAL C CG1 1 +ATOM 2472 C CG2 . VAL C 1 72 ? -72.960 -80.281 -33.192 1.00 54.74 ? 72 VAL C CG2 1 +ATOM 2473 N N . GLY C 1 73 ? -71.149 -84.508 -32.240 1.00 55.43 ? 73 GLY C N 1 +ATOM 2474 C CA . GLY C 1 73 ? -70.640 -85.576 -31.404 1.00 53.88 ? 73 GLY C CA 1 +ATOM 2475 C C . GLY C 1 73 ? -71.666 -86.685 -31.254 1.00 52.69 ? 73 GLY C C 1 +ATOM 2476 O O . GLY C 1 73 ? -71.640 -87.426 -30.273 1.00 54.34 ? 73 GLY C O 1 +ATOM 2477 N N . GLY C 1 74 ? -72.577 -86.809 -32.214 1.00 51.16 ? 74 GLY C N 1 +ATOM 2478 C CA . GLY C 1 74 ? -73.580 -87.855 -32.113 1.00 50.24 ? 74 GLY C CA 1 +ATOM 2479 C C . GLY C 1 74 ? -74.782 -87.454 -31.268 1.00 50.66 ? 74 GLY C C 1 +ATOM 2480 O O . GLY C 1 74 ? -75.713 -88.245 -31.070 1.00 50.14 ? 74 GLY C O 1 +ATOM 2481 N N . VAL C 1 75 ? -74.757 -86.227 -30.755 1.00 51.14 ? 75 VAL C N 1 +ATOM 2482 C CA . VAL C 1 75 ? -75.859 -85.713 -29.943 1.00 50.87 ? 75 VAL C CA 1 +ATOM 2483 C C . VAL C 1 75 ? -76.712 -84.827 -30.845 1.00 50.81 ? 75 VAL C C 1 +ATOM 2484 O O . VAL C 1 75 ? -76.217 -83.821 -31.371 1.00 51.15 ? 75 VAL C O 1 +ATOM 2485 C CB . VAL C 1 75 ? -75.354 -84.829 -28.763 1.00 50.63 ? 75 VAL C CB 1 +ATOM 2486 C CG1 . VAL C 1 75 ? -76.538 -84.334 -27.933 1.00 49.26 ? 75 VAL C CG1 1 +ATOM 2487 C CG2 . VAL C 1 75 ? -74.378 -85.610 -27.888 1.00 51.00 ? 75 VAL C CG2 1 +ATOM 2488 N N . GLU C 1 76 ? -77.976 -85.183 -31.049 1.00 50.19 ? 76 GLU C N 1 +ATOM 2489 C CA . GLU C 1 76 ? -78.805 -84.329 -31.883 1.00 50.96 ? 76 GLU C CA 1 +ATOM 2490 C C . GLU C 1 76 ? -79.827 -83.496 -31.109 1.00 48.72 ? 76 GLU C C 1 +ATOM 2491 O O . GLU C 1 76 ? -80.531 -83.998 -30.230 1.00 48.39 ? 76 GLU C O 1 +ATOM 2492 C CB . GLU C 1 76 ? -79.484 -85.131 -32.997 1.00 53.50 ? 76 GLU C CB 1 +ATOM 2493 C CG . GLU C 1 76 ? -80.290 -86.328 -32.578 1.00 58.28 ? 76 GLU C CG 1 +ATOM 2494 C CD . GLU C 1 76 ? -80.768 -87.104 -33.802 1.00 62.79 ? 76 GLU C CD 1 +ATOM 2495 O OE1 . GLU C 1 76 ? -79.898 -87.537 -34.608 1.00 63.71 ? 76 GLU C OE1 1 +ATOM 2496 O OE2 . GLU C 1 76 ? -82.005 -87.273 -33.971 1.00 65.04 ? 76 GLU C OE2 1 +ATOM 2497 N N . LEU C 1 77 ? -79.872 -82.208 -31.447 1.00 45.69 ? 77 LEU C N 1 +ATOM 2498 C CA . LEU C 1 77 ? -80.768 -81.243 -30.821 1.00 42.28 ? 77 LEU C CA 1 +ATOM 2499 C C . LEU C 1 77 ? -81.688 -80.600 -31.847 1.00 40.58 ? 77 LEU C C 1 +ATOM 2500 O O . LEU C 1 77 ? -81.318 -80.454 -33.010 1.00 39.70 ? 77 LEU C O 1 +ATOM 2501 C CB . LEU C 1 77 ? -79.957 -80.129 -30.168 1.00 40.50 ? 77 LEU C CB 1 +ATOM 2502 C CG . LEU C 1 77 ? -78.934 -80.491 -29.098 1.00 39.36 ? 77 LEU C CG 1 +ATOM 2503 C CD1 . LEU C 1 77 ? -78.189 -79.226 -28.683 1.00 37.49 ? 77 LEU C CD1 1 +ATOM 2504 C CD2 . LEU C 1 77 ? -79.644 -81.129 -27.911 1.00 37.57 ? 77 LEU C CD2 1 +ATOM 2505 N N . PRO C 1 78 ? -82.909 -80.217 -31.429 1.00 39.59 ? 78 PRO C N 1 +ATOM 2506 C CA . PRO C 1 78 ? -83.843 -79.574 -32.358 1.00 37.76 ? 78 PRO C CA 1 +ATOM 2507 C C . PRO C 1 78 ? -83.413 -78.109 -32.383 1.00 36.73 ? 78 PRO C C 1 +ATOM 2508 O O . PRO C 1 78 ? -83.308 -77.475 -31.332 1.00 36.14 ? 78 PRO C O 1 +ATOM 2509 C CB . PRO C 1 78 ? -85.202 -79.745 -31.676 1.00 37.20 ? 78 PRO C CB 1 +ATOM 2510 C CG . PRO C 1 78 ? -84.986 -80.834 -30.672 1.00 38.06 ? 78 PRO C CG 1 +ATOM 2511 C CD . PRO C 1 78 ? -83.596 -80.566 -30.178 1.00 39.12 ? 78 PRO C CD 1 +ATOM 2512 N N . VAL C 1 79 ? -83.143 -77.575 -33.563 1.00 35.18 ? 79 VAL C N 1 +ATOM 2513 C CA . VAL C 1 79 ? -82.724 -76.185 -33.655 1.00 35.04 ? 79 VAL C CA 1 +ATOM 2514 C C . VAL C 1 79 ? -83.346 -75.508 -34.862 1.00 35.31 ? 79 VAL C C 1 +ATOM 2515 O O . VAL C 1 79 ? -84.193 -76.072 -35.556 1.00 33.96 ? 79 VAL C O 1 +ATOM 2516 C CB . VAL C 1 79 ? -81.179 -76.053 -33.789 1.00 34.61 ? 79 VAL C CB 1 +ATOM 2517 C CG1 . VAL C 1 79 ? -80.488 -76.681 -32.602 1.00 33.23 ? 79 VAL C CG1 1 +ATOM 2518 C CG2 . VAL C 1 79 ? -80.709 -76.697 -35.082 1.00 32.14 ? 79 VAL C CG2 1 +ATOM 2519 N N . ALA C 1 80 ? -82.915 -74.275 -35.085 1.00 35.26 ? 80 ALA C N 1 +ATOM 2520 C CA . ALA C 1 80 ? -83.349 -73.497 -36.227 1.00 35.38 ? 80 ALA C CA 1 +ATOM 2521 C C . ALA C 1 80 ? -82.066 -73.314 -37.037 1.00 35.40 ? 80 ALA C C 1 +ATOM 2522 O O . ALA C 1 80 ? -81.082 -72.776 -36.526 1.00 34.61 ? 80 ALA C O 1 +ATOM 2523 C CB . ALA C 1 80 ? -83.898 -72.149 -35.776 1.00 34.34 ? 80 ALA C CB 1 +ATOM 2524 N N . ALA C 1 81 ? -82.067 -73.797 -38.278 1.00 35.52 ? 81 ALA C N 1 +ATOM 2525 C CA . ALA C 1 81 ? -80.907 -73.675 -39.157 1.00 35.26 ? 81 ALA C CA 1 +ATOM 2526 C C . ALA C 1 81 ? -80.574 -72.193 -39.265 1.00 35.48 ? 81 ALA C C 1 +ATOM 2527 O O . ALA C 1 81 ? -79.412 -71.794 -39.229 1.00 36.44 ? 81 ALA C O 1 +ATOM 2528 C CB . ALA C 1 81 ? -81.230 -74.247 -40.526 1.00 34.33 ? 81 ALA C CB 1 +ATOM 2529 N N . TRP C 1 82 ? -81.621 -71.386 -39.395 1.00 35.47 ? 82 TRP C N 1 +ATOM 2530 C CA . TRP C 1 82 ? -81.519 -69.933 -39.474 1.00 34.96 ? 82 TRP C CA 1 +ATOM 2531 C C . TRP C 1 82 ? -82.914 -69.366 -39.246 1.00 35.23 ? 82 TRP C C 1 +ATOM 2532 O O . TRP C 1 82 ? -83.887 -70.108 -39.121 1.00 34.90 ? 82 TRP C O 1 +ATOM 2533 C CB . TRP C 1 82 ? -80.973 -69.468 -40.843 1.00 34.82 ? 82 TRP C CB 1 +ATOM 2534 C CG . TRP C 1 82 ? -81.549 -70.178 -42.041 1.00 34.48 ? 82 TRP C CG 1 +ATOM 2535 C CD1 . TRP C 1 82 ? -81.006 -71.241 -42.701 1.00 34.19 ? 82 TRP C CD1 1 +ATOM 2536 C CD2 . TRP C 1 82 ? -82.809 -69.919 -42.674 1.00 34.44 ? 82 TRP C CD2 1 +ATOM 2537 N NE1 . TRP C 1 82 ? -81.847 -71.664 -43.701 1.00 34.49 ? 82 TRP C NE1 1 +ATOM 2538 C CE2 . TRP C 1 82 ? -82.963 -70.871 -43.706 1.00 34.39 ? 82 TRP C CE2 1 +ATOM 2539 C CE3 . TRP C 1 82 ? -83.827 -68.976 -42.468 1.00 34.85 ? 82 TRP C CE3 1 +ATOM 2540 C CZ2 . TRP C 1 82 ? -84.095 -70.911 -44.531 1.00 33.35 ? 82 TRP C CZ2 1 +ATOM 2541 C CZ3 . TRP C 1 82 ? -84.955 -69.018 -43.289 1.00 34.00 ? 82 TRP C CZ3 1 +ATOM 2542 C CH2 . TRP C 1 82 ? -85.077 -69.979 -44.306 1.00 33.54 ? 82 TRP C CH2 1 +ATOM 2543 N N . ARG C 1 83 ? -83.006 -68.045 -39.186 1.00 35.41 ? 83 ARG C N 1 +ATOM 2544 C CA . ARG C 1 83 ? -84.280 -67.381 -38.978 1.00 34.71 ? 83 ARG C CA 1 +ATOM 2545 C C . ARG C 1 83 ? -84.408 -66.164 -39.874 1.00 35.41 ? 83 ARG C C 1 +ATOM 2546 O O . ARG C 1 83 ? -83.416 -65.505 -40.197 1.00 36.37 ? 83 ARG C O 1 +ATOM 2547 C CB . ARG C 1 83 ? -84.425 -66.937 -37.517 1.00 33.80 ? 83 ARG C CB 1 +ATOM 2548 C CG . ARG C 1 83 ? -84.845 -68.026 -36.564 1.00 33.97 ? 83 ARG C CG 1 +ATOM 2549 C CD . ARG C 1 83 ? -84.784 -67.568 -35.107 1.00 34.78 ? 83 ARG C CD 1 +ATOM 2550 N NE . ARG C 1 83 ? -85.208 -68.647 -34.215 1.00 38.01 ? 83 ARG C NE 1 +ATOM 2551 C CZ . ARG C 1 83 ? -86.459 -68.848 -33.804 1.00 38.45 ? 83 ARG C CZ 1 +ATOM 2552 N NH1 . ARG C 1 83 ? -87.435 -68.031 -34.183 1.00 36.72 ? 83 ARG C NH1 1 +ATOM 2553 N NH2 . ARG C 1 83 ? -86.742 -69.904 -33.053 1.00 37.65 ? 83 ARG C NH2 1 +ATOM 2554 N N . SER C 1 84 ? -85.641 -65.882 -40.269 1.00 34.62 ? 84 SER C N 1 +ATOM 2555 C CA . SER C 1 84 ? -85.967 -64.721 -41.083 1.00 34.37 ? 84 SER C CA 1 +ATOM 2556 C C . SER C 1 84 ? -86.555 -63.714 -40.084 1.00 33.73 ? 84 SER C C 1 +ATOM 2557 O O . SER C 1 84 ? -87.396 -64.082 -39.268 1.00 33.47 ? 84 SER C O 1 +ATOM 2558 C CB . SER C 1 84 ? -87.001 -65.116 -42.132 1.00 34.78 ? 84 SER C CB 1 +ATOM 2559 O OG . SER C 1 84 ? -87.473 -63.985 -42.821 1.00 38.73 ? 84 SER C OG 1 +ATOM 2560 N N . TYR C 1 85 ? -86.108 -62.461 -40.127 1.00 34.19 ? 85 TYR C N 1 +ATOM 2561 C CA . TYR C 1 85 ? -86.603 -61.457 -39.178 1.00 34.10 ? 85 TYR C CA 1 +ATOM 2562 C C . TYR C 1 85 ? -87.405 -60.312 -39.774 1.00 34.06 ? 85 TYR C C 1 +ATOM 2563 O O . TYR C 1 85 ? -86.986 -59.679 -40.735 1.00 34.59 ? 85 TYR C O 1 +ATOM 2564 C CB . TYR C 1 85 ? -85.446 -60.851 -38.379 1.00 34.77 ? 85 TYR C CB 1 +ATOM 2565 C CG . TYR C 1 85 ? -84.627 -61.852 -37.607 1.00 37.56 ? 85 TYR C CG 1 +ATOM 2566 C CD1 . TYR C 1 85 ? -83.672 -62.636 -38.250 1.00 39.61 ? 85 TYR C CD1 1 +ATOM 2567 C CD2 . TYR C 1 85 ? -84.818 -62.034 -36.237 1.00 38.86 ? 85 TYR C CD2 1 +ATOM 2568 C CE1 . TYR C 1 85 ? -82.922 -63.575 -37.553 1.00 40.52 ? 85 TYR C CE1 1 +ATOM 2569 C CE2 . TYR C 1 85 ? -84.074 -62.971 -35.526 1.00 40.86 ? 85 TYR C CE2 1 +ATOM 2570 C CZ . TYR C 1 85 ? -83.126 -63.738 -36.193 1.00 41.92 ? 85 TYR C CZ 1 +ATOM 2571 O OH . TYR C 1 85 ? -82.376 -64.669 -35.510 1.00 45.10 ? 85 TYR C OH 1 +ATOM 2572 N N . LEU C 1 86 ? -88.559 -60.041 -39.178 1.00 34.38 ? 86 LEU C N 1 +ATOM 2573 C CA . LEU C 1 86 ? -89.421 -58.957 -39.620 1.00 34.87 ? 86 LEU C CA 1 +ATOM 2574 C C . LEU C 1 86 ? -89.500 -57.910 -38.523 1.00 36.30 ? 86 LEU C C 1 +ATOM 2575 O O . LEU C 1 86 ? -89.799 -58.231 -37.380 1.00 37.70 ? 86 LEU C O 1 +ATOM 2576 C CB . LEU C 1 86 ? -90.825 -59.474 -39.916 1.00 33.54 ? 86 LEU C CB 1 +ATOM 2577 C CG . LEU C 1 86 ? -91.860 -58.385 -40.202 1.00 34.71 ? 86 LEU C CG 1 +ATOM 2578 C CD1 . LEU C 1 86 ? -91.472 -57.616 -41.457 1.00 34.62 ? 86 LEU C CD1 1 +ATOM 2579 C CD2 . LEU C 1 86 ? -93.230 -59.011 -40.369 1.00 34.49 ? 86 LEU C CD2 1 +ATOM 2580 N N . ASN C 1 87 ? -89.213 -56.660 -38.858 1.00 37.85 ? 87 ASN C N 1 +ATOM 2581 C CA . ASN C 1 87 ? -89.290 -55.579 -37.885 1.00 39.64 ? 87 ASN C CA 1 +ATOM 2582 C C . ASN C 1 87 ? -90.089 -54.429 -38.461 1.00 39.25 ? 87 ASN C C 1 +ATOM 2583 O O . ASN C 1 87 ? -89.686 -53.839 -39.455 1.00 40.03 ? 87 ASN C O 1 +ATOM 2584 C CB . ASN C 1 87 ? -87.896 -55.078 -37.516 1.00 43.74 ? 87 ASN C CB 1 +ATOM 2585 C CG . ASN C 1 87 ? -87.125 -56.081 -36.689 1.00 50.93 ? 87 ASN C CG 1 +ATOM 2586 O OD1 . ASN C 1 87 ? -87.539 -56.426 -35.580 1.00 56.15 ? 87 ASN C OD1 1 +ATOM 2587 N ND2 . ASN C 1 87 ? -85.996 -56.562 -37.218 1.00 53.59 ? 87 ASN C ND2 1 +ATOM 2588 N N . MET C 1 88 ? -91.235 -54.120 -37.869 1.00 37.73 ? 88 MET C N 1 +ATOM 2589 C CA . MET C 1 88 ? -92.000 -53.005 -38.379 1.00 38.11 ? 88 MET C CA 1 +ATOM 2590 C C . MET C 1 88 ? -92.389 -52.001 -37.322 1.00 37.60 ? 88 MET C C 1 +ATOM 2591 O O . MET C 1 88 ? -92.642 -52.348 -36.177 1.00 37.22 ? 88 MET C O 1 +ATOM 2592 C CB . MET C 1 88 ? -93.232 -53.477 -39.157 1.00 40.07 ? 88 MET C CB 1 +ATOM 2593 C CG . MET C 1 88 ? -94.122 -54.477 -38.492 1.00 41.96 ? 88 MET C CG 1 +ATOM 2594 S SD . MET C 1 88 ? -95.346 -55.077 -39.712 1.00 47.97 ? 88 MET C SD 1 +ATOM 2595 C CE . MET C 1 88 ? -96.818 -54.126 -39.220 1.00 45.27 ? 88 MET C CE 1 +ATOM 2596 N N . GLU C 1 89 ? -92.386 -50.736 -37.726 1.00 37.35 ? 89 GLU C N 1 +ATOM 2597 C CA . GLU C 1 89 ? -92.742 -49.633 -36.858 1.00 37.52 ? 89 GLU C CA 1 +ATOM 2598 C C . GLU C 1 89 ? -93.837 -48.833 -37.526 1.00 35.94 ? 89 GLU C C 1 +ATOM 2599 O O . GLU C 1 89 ? -93.703 -48.416 -38.668 1.00 36.07 ? 89 GLU C O 1 +ATOM 2600 C CB . GLU C 1 89 ? -91.536 -48.743 -36.605 1.00 41.03 ? 89 GLU C CB 1 +ATOM 2601 C CG . GLU C 1 89 ? -90.392 -49.480 -35.947 1.00 50.48 ? 89 GLU C CG 1 +ATOM 2602 C CD . GLU C 1 89 ? -89.577 -48.578 -35.032 1.00 56.22 ? 89 GLU C CD 1 +ATOM 2603 O OE1 . GLU C 1 89 ? -89.102 -47.516 -35.514 1.00 58.18 ? 89 GLU C OE1 1 +ATOM 2604 O OE2 . GLU C 1 89 ? -89.420 -48.931 -33.831 1.00 59.41 ? 89 GLU C OE2 1 +ATOM 2605 N N . LEU C 1 90 ? -94.926 -48.628 -36.803 1.00 34.45 ? 90 LEU C N 1 +ATOM 2606 C CA . LEU C 1 90 ? -96.053 -47.890 -37.327 1.00 33.59 ? 90 LEU C CA 1 +ATOM 2607 C C . LEU C 1 90 ? -96.324 -46.668 -36.450 1.00 34.32 ? 90 LEU C C 1 +ATOM 2608 O O . LEU C 1 90 ? -96.621 -46.802 -35.266 1.00 36.01 ? 90 LEU C O 1 +ATOM 2609 C CB . LEU C 1 90 ? -97.267 -48.812 -37.369 1.00 31.49 ? 90 LEU C CB 1 +ATOM 2610 C CG . LEU C 1 90 ? -98.588 -48.205 -37.816 1.00 33.07 ? 90 LEU C CG 1 +ATOM 2611 C CD1 . LEU C 1 90 ? -98.442 -47.613 -39.203 1.00 32.92 ? 90 LEU C CD1 1 +ATOM 2612 C CD2 . LEU C 1 90 ? -99.656 -49.277 -37.797 1.00 32.45 ? 90 LEU C CD2 1 +ATOM 2613 N N . THR C 1 91 ? -96.198 -45.478 -37.028 1.00 34.33 ? 91 THR C N 1 +ATOM 2614 C CA . THR C 1 91 ? -96.444 -44.246 -36.289 1.00 34.67 ? 91 THR C CA 1 +ATOM 2615 C C . THR C 1 91 ? -97.809 -43.688 -36.660 1.00 35.34 ? 91 THR C C 1 +ATOM 2616 O O . THR C 1 91 ? -98.111 -43.522 -37.839 1.00 36.68 ? 91 THR C O 1 +ATOM 2617 C CB . THR C 1 91 ? -95.387 -43.172 -36.591 1.00 33.74 ? 91 THR C CB 1 +ATOM 2618 O OG1 . THR C 1 91 ? -94.094 -43.643 -36.200 1.00 37.04 ? 91 THR C OG1 1 +ATOM 2619 C CG2 . THR C 1 91 ? -95.686 -41.926 -35.808 1.00 36.11 ? 91 THR C CG2 1 +ATOM 2620 N N . ILE C 1 92 ? -98.624 -43.404 -35.645 1.00 34.95 ? 92 ILE C N 1 +ATOM 2621 C CA . ILE C 1 92 ? -99.965 -42.867 -35.848 1.00 33.77 ? 92 ILE C CA 1 +ATOM 2622 C C . ILE C 1 92 ? -100.237 -41.660 -34.945 1.00 35.81 ? 92 ILE C C 1 +ATOM 2623 O O . ILE C 1 92 ? -100.187 -41.764 -33.720 1.00 36.89 ? 92 ILE C O 1 +ATOM 2624 C CB . ILE C 1 92 ? -101.035 -43.938 -35.564 1.00 30.85 ? 92 ILE C CB 1 +ATOM 2625 C CG1 . ILE C 1 92 ? -100.775 -45.173 -36.419 1.00 31.01 ? 92 ILE C CG1 1 +ATOM 2626 C CG2 . ILE C 1 92 ? -102.409 -43.391 -35.873 1.00 29.66 ? 92 ILE C CG2 1 +ATOM 2627 C CD1 . ILE C 1 92 ? -101.774 -46.269 -36.217 1.00 29.30 ? 92 ILE C CD1 1 +ATOM 2628 N N . PRO C 1 93 ? -100.524 -40.491 -35.548 1.00 36.84 ? 93 PRO C N 1 +ATOM 2629 C CA . PRO C 1 93 ? -100.813 -39.250 -34.813 1.00 36.48 ? 93 PRO C CA 1 +ATOM 2630 C C . PRO C 1 93 ? -102.038 -39.433 -33.917 1.00 36.27 ? 93 PRO C C 1 +ATOM 2631 O O . PRO C 1 93 ? -102.959 -40.173 -34.265 1.00 36.66 ? 93 PRO C O 1 +ATOM 2632 C CB . PRO C 1 93 ? -101.078 -38.242 -35.930 1.00 36.29 ? 93 PRO C CB 1 +ATOM 2633 C CG . PRO C 1 93 ? -100.275 -38.770 -37.070 1.00 37.57 ? 93 PRO C CG 1 +ATOM 2634 C CD . PRO C 1 93 ? -100.533 -40.250 -37.000 1.00 36.87 ? 93 PRO C CD 1 +ATOM 2635 N N . ILE C 1 94 ? -102.066 -38.748 -32.778 1.00 35.67 ? 94 ILE C N 1 +ATOM 2636 C CA . ILE C 1 94 ? -103.188 -38.878 -31.851 1.00 35.18 ? 94 ILE C CA 1 +ATOM 2637 C C . ILE C 1 94 ? -104.501 -38.301 -32.367 1.00 34.50 ? 94 ILE C C 1 +ATOM 2638 O O . ILE C 1 94 ? -105.532 -38.420 -31.708 1.00 34.24 ? 94 ILE C O 1 +ATOM 2639 C CB . ILE C 1 94 ? -102.865 -38.234 -30.491 1.00 35.17 ? 94 ILE C CB 1 +ATOM 2640 C CG1 . ILE C 1 94 ? -102.681 -36.727 -30.657 1.00 36.15 ? 94 ILE C CG1 1 +ATOM 2641 C CG2 . ILE C 1 94 ? -101.608 -38.869 -29.908 1.00 34.64 ? 94 ILE C CG2 1 +ATOM 2642 C CD1 . ILE C 1 94 ? -102.383 -36.009 -29.366 1.00 34.67 ? 94 ILE C CD1 1 +ATOM 2643 N N . PHE C 1 95 ? -104.468 -37.687 -33.546 1.00 33.34 ? 95 PHE C N 1 +ATOM 2644 C CA . PHE C 1 95 ? -105.676 -37.111 -34.129 1.00 32.99 ? 95 PHE C CA 1 +ATOM 2645 C C . PHE C 1 95 ? -106.466 -38.139 -34.927 1.00 33.04 ? 95 PHE C C 1 +ATOM 2646 O O . PHE C 1 95 ? -107.590 -37.874 -35.345 1.00 32.89 ? 95 PHE C O 1 +ATOM 2647 C CB . PHE C 1 95 ? -105.323 -35.943 -35.043 1.00 33.22 ? 95 PHE C CB 1 +ATOM 2648 C CG . PHE C 1 95 ? -104.420 -34.938 -34.410 1.00 35.11 ? 95 PHE C CG 1 +ATOM 2649 C CD1 . PHE C 1 95 ? -104.892 -34.101 -33.403 1.00 36.13 ? 95 PHE C CD1 1 +ATOM 2650 C CD2 . PHE C 1 95 ? -103.090 -34.843 -34.796 1.00 35.33 ? 95 PHE C CD2 1 +ATOM 2651 C CE1 . PHE C 1 95 ? -104.050 -33.185 -32.785 1.00 35.89 ? 95 PHE C CE1 1 +ATOM 2652 C CE2 . PHE C 1 95 ? -102.234 -33.928 -34.185 1.00 36.35 ? 95 PHE C CE2 1 +ATOM 2653 C CZ . PHE C 1 95 ? -102.717 -33.096 -33.176 1.00 36.61 ? 95 PHE C CZ 1 +ATOM 2654 N N . ALA C 1 96 ? -105.874 -39.310 -35.135 1.00 33.20 ? 96 ALA C N 1 +ATOM 2655 C CA . ALA C 1 96 ? -106.520 -40.372 -35.896 1.00 33.53 ? 96 ALA C CA 1 +ATOM 2656 C C . ALA C 1 96 ? -107.690 -40.991 -35.149 1.00 34.23 ? 96 ALA C C 1 +ATOM 2657 O O . ALA C 1 96 ? -107.559 -41.436 -34.011 1.00 34.27 ? 96 ALA C O 1 +ATOM 2658 C CB . ALA C 1 96 ? -105.507 -41.451 -36.254 1.00 33.34 ? 96 ALA C CB 1 +ATOM 2659 N N . THR C 1 97 ? -108.840 -41.006 -35.806 1.00 35.64 ? 97 THR C N 1 +ATOM 2660 C CA . THR C 1 97 ? -110.047 -41.580 -35.236 1.00 37.99 ? 97 THR C CA 1 +ATOM 2661 C C . THR C 1 97 ? -110.004 -43.074 -35.526 1.00 39.25 ? 97 THR C C 1 +ATOM 2662 O O . THR C 1 97 ? -109.064 -43.554 -36.156 1.00 40.23 ? 97 THR C O 1 +ATOM 2663 C CB . THR C 1 97 ? -111.302 -40.983 -35.896 1.00 38.56 ? 97 THR C CB 1 +ATOM 2664 O OG1 . THR C 1 97 ? -111.308 -41.305 -37.296 1.00 39.21 ? 97 THR C OG1 1 +ATOM 2665 C CG2 . THR C 1 97 ? -111.312 -39.468 -35.735 1.00 37.50 ? 97 THR C CG2 1 +ATOM 2666 N N . ASN C 1 98 ? -111.007 -43.814 -35.075 1.00 40.92 ? 98 ASN C N 1 +ATOM 2667 C CA . ASN C 1 98 ? -111.026 -45.247 -35.334 1.00 42.43 ? 98 ASN C CA 1 +ATOM 2668 C C . ASN C 1 98 ? -111.150 -45.498 -36.832 1.00 42.43 ? 98 ASN C C 1 +ATOM 2669 O O . ASN C 1 98 ? -110.582 -46.458 -37.352 1.00 43.23 ? 98 ASN C O 1 +ATOM 2670 C CB . ASN C 1 98 ? -112.172 -45.913 -34.572 1.00 44.64 ? 98 ASN C CB 1 +ATOM 2671 C CG . ASN C 1 98 ? -111.815 -46.198 -33.111 1.00 48.79 ? 98 ASN C CG 1 +ATOM 2672 O OD1 . ASN C 1 98 ? -111.043 -45.458 -32.483 1.00 51.07 ? 98 ASN C OD1 1 +ATOM 2673 N ND2 . ASN C 1 98 ? -112.386 -47.269 -32.561 1.00 50.34 ? 98 ASN C ND2 1 +ATOM 2674 N N . SER C 1 99 ? -111.879 -44.632 -37.530 1.00 41.76 ? 99 SER C N 1 +ATOM 2675 C CA . SER C 1 99 ? -112.032 -44.776 -38.974 1.00 41.40 ? 99 SER C CA 1 +ATOM 2676 C C . SER C 1 99 ? -110.686 -44.653 -39.662 1.00 40.55 ? 99 SER C C 1 +ATOM 2677 O O . SER C 1 99 ? -110.386 -45.419 -40.575 1.00 40.56 ? 99 SER C O 1 +ATOM 2678 C CB . SER C 1 99 ? -112.957 -43.704 -39.537 1.00 42.44 ? 99 SER C CB 1 +ATOM 2679 O OG . SER C 1 99 ? -114.290 -43.939 -39.133 1.00 48.75 ? 99 SER C OG 1 +ATOM 2680 N N . ASP C 1 100 ? -109.882 -43.685 -39.228 1.00 38.93 ? 100 ASP C N 1 +ATOM 2681 C CA . ASP C 1 100 ? -108.566 -43.486 -39.815 1.00 38.93 ? 100 ASP C CA 1 +ATOM 2682 C C . ASP C 1 100 ? -107.685 -44.711 -39.590 1.00 39.84 ? 100 ASP C C 1 +ATOM 2683 O O . ASP C 1 100 ? -106.979 -45.145 -40.502 1.00 40.59 ? 100 ASP C O 1 +ATOM 2684 C CB . ASP C 1 100 ? -107.877 -42.251 -39.225 1.00 39.79 ? 100 ASP C CB 1 +ATOM 2685 C CG . ASP C 1 100 ? -108.638 -40.961 -39.496 1.00 41.28 ? 100 ASP C CG 1 +ATOM 2686 O OD1 . ASP C 1 100 ? -109.275 -40.841 -40.567 1.00 40.61 ? 100 ASP C OD1 1 +ATOM 2687 O OD2 . ASP C 1 100 ? -108.587 -40.055 -38.639 1.00 42.32 ? 100 ASP C OD2 1 +ATOM 2688 N N . CYS C 1 101 ? -107.736 -45.272 -38.384 1.00 38.43 ? 101 CYS C N 1 +ATOM 2689 C CA . CYS C 1 101 ? -106.929 -46.439 -38.056 1.00 37.20 ? 101 CYS C CA 1 +ATOM 2690 C C . CYS C 1 101 ? -107.319 -47.661 -38.867 1.00 38.06 ? 101 CYS C C 1 +ATOM 2691 O O . CYS C 1 101 ? -106.474 -48.477 -39.221 1.00 38.26 ? 101 CYS C O 1 +ATOM 2692 C CB . CYS C 1 101 ? -107.026 -46.734 -36.568 1.00 35.56 ? 101 CYS C CB 1 +ATOM 2693 S SG . CYS C 1 101 ? -106.233 -45.459 -35.589 1.00 36.94 ? 101 CYS C SG 1 +ATOM 2694 N N . GLU C 1 102 ? -108.605 -47.785 -39.163 1.00 38.27 ? 102 GLU C N 1 +ATOM 2695 C CA . GLU C 1 102 ? -109.080 -48.904 -39.956 1.00 39.18 ? 102 GLU C CA 1 +ATOM 2696 C C . GLU C 1 102 ? -108.521 -48.811 -41.365 1.00 37.88 ? 102 GLU C C 1 +ATOM 2697 O O . GLU C 1 102 ? -108.215 -49.817 -41.993 1.00 37.49 ? 102 GLU C O 1 +ATOM 2698 C CB . GLU C 1 102 ? -110.599 -48.893 -40.003 1.00 41.88 ? 102 GLU C CB 1 +ATOM 2699 C CG . GLU C 1 102 ? -111.229 -49.571 -38.818 1.00 49.07 ? 102 GLU C CG 1 +ATOM 2700 C CD . GLU C 1 102 ? -112.704 -49.263 -38.698 1.00 53.54 ? 102 GLU C CD 1 +ATOM 2701 O OE1 . GLU C 1 102 ? -113.344 -49.017 -39.757 1.00 55.37 ? 102 GLU C OE1 1 +ATOM 2702 O OE2 . GLU C 1 102 ? -113.221 -49.275 -37.551 1.00 54.80 ? 102 GLU C OE2 1 +ATOM 2703 N N . LEU C 1 103 ? -108.393 -47.584 -41.852 1.00 37.39 ? 103 LEU C N 1 +ATOM 2704 C CA . LEU C 1 103 ? -107.865 -47.343 -43.184 1.00 37.08 ? 103 LEU C CA 1 +ATOM 2705 C C . LEU C 1 103 ? -106.394 -47.748 -43.226 1.00 36.26 ? 103 LEU C C 1 +ATOM 2706 O O . LEU C 1 103 ? -105.930 -48.356 -44.187 1.00 35.69 ? 103 LEU C O 1 +ATOM 2707 C CB . LEU C 1 103 ? -107.998 -45.867 -43.537 1.00 38.14 ? 103 LEU C CB 1 +ATOM 2708 C CG . LEU C 1 103 ? -107.827 -45.558 -45.016 1.00 39.99 ? 103 LEU C CG 1 +ATOM 2709 C CD1 . LEU C 1 103 ? -109.055 -46.061 -45.758 1.00 41.23 ? 103 LEU C CD1 1 +ATOM 2710 C CD2 . LEU C 1 103 ? -107.657 -44.061 -45.221 1.00 41.55 ? 103 LEU C CD2 1 +ATOM 2711 N N . ILE C 1 104 ? -105.671 -47.396 -42.169 1.00 35.06 ? 104 ILE C N 1 +ATOM 2712 C CA . ILE C 1 104 ? -104.257 -47.715 -42.054 1.00 33.33 ? 104 ILE C CA 1 +ATOM 2713 C C . ILE C 1 104 ? -104.079 -49.227 -42.087 1.00 34.12 ? 104 ILE C C 1 +ATOM 2714 O O . ILE C 1 104 ? -103.154 -49.735 -42.716 1.00 34.79 ? 104 ILE C O 1 +ATOM 2715 C CB . ILE C 1 104 ? -103.680 -47.144 -40.742 1.00 32.81 ? 104 ILE C CB 1 +ATOM 2716 C CG1 . ILE C 1 104 ? -103.710 -45.613 -40.802 1.00 31.83 ? 104 ILE C CG1 1 +ATOM 2717 C CG2 . ILE C 1 104 ? -102.275 -47.673 -40.508 1.00 30.02 ? 104 ILE C CG2 1 +ATOM 2718 C CD1 . ILE C 1 104 ? -103.347 -44.919 -39.507 1.00 31.28 ? 104 ILE C CD1 1 +ATOM 2719 N N . VAL C 1 105 ? -104.974 -49.947 -41.421 1.00 33.70 ? 105 VAL C N 1 +ATOM 2720 C CA . VAL C 1 105 ? -104.894 -51.398 -41.401 1.00 33.00 ? 105 VAL C CA 1 +ATOM 2721 C C . VAL C 1 105 ? -105.197 -51.984 -42.776 1.00 34.11 ? 105 VAL C C 1 +ATOM 2722 O O . VAL C 1 105 ? -104.567 -52.952 -43.186 1.00 35.35 ? 105 VAL C O 1 +ATOM 2723 C CB . VAL C 1 105 ? -105.848 -52.001 -40.346 1.00 31.20 ? 105 VAL C CB 1 +ATOM 2724 C CG1 . VAL C 1 105 ? -105.926 -53.505 -40.502 1.00 28.62 ? 105 VAL C CG1 1 +ATOM 2725 C CG2 . VAL C 1 105 ? -105.345 -51.665 -38.955 1.00 30.87 ? 105 VAL C CG2 1 +ATOM 2726 N N . LYS C 1 106 ? -106.144 -51.398 -43.499 1.00 33.92 ? 106 LYS C N 1 +ATOM 2727 C CA . LYS C 1 106 ? -106.464 -51.905 -44.825 1.00 35.64 ? 106 LYS C CA 1 +ATOM 2728 C C . LYS C 1 106 ? -105.287 -51.693 -45.768 1.00 35.28 ? 106 LYS C C 1 +ATOM 2729 O O . LYS C 1 106 ? -105.046 -52.502 -46.661 1.00 35.62 ? 106 LYS C O 1 +ATOM 2730 C CB . LYS C 1 106 ? -107.694 -51.209 -45.401 1.00 37.66 ? 106 LYS C CB 1 +ATOM 2731 C CG . LYS C 1 106 ? -108.965 -51.467 -44.645 1.00 41.17 ? 106 LYS C CG 1 +ATOM 2732 C CD . LYS C 1 106 ? -110.163 -51.244 -45.554 1.00 47.55 ? 106 LYS C CD 1 +ATOM 2733 C CE . LYS C 1 106 ? -111.470 -51.141 -44.759 1.00 52.82 ? 106 LYS C CE 1 +ATOM 2734 N NZ . LYS C 1 106 ? -111.672 -52.292 -43.795 1.00 56.47 ? 106 LYS C NZ 1 +ATOM 2735 N N . ALA C 1 107 ? -104.557 -50.602 -45.567 1.00 33.61 ? 107 ALA C N 1 +ATOM 2736 C CA . ALA C 1 107 ? -103.410 -50.297 -46.402 1.00 32.93 ? 107 ALA C CA 1 +ATOM 2737 C C . ALA C 1 107 ? -102.332 -51.351 -46.190 1.00 33.82 ? 107 ALA C C 1 +ATOM 2738 O O . ALA C 1 107 ? -101.661 -51.757 -47.135 1.00 34.79 ? 107 ALA C O 1 +ATOM 2739 C CB . ALA C 1 107 ? -102.868 -48.919 -46.070 1.00 29.82 ? 107 ALA C CB 1 +ATOM 2740 N N . MET C 1 108 ? -102.163 -51.797 -44.950 1.00 33.45 ? 108 MET C N 1 +ATOM 2741 C CA . MET C 1 108 ? -101.156 -52.806 -44.665 1.00 33.80 ? 108 MET C CA 1 +ATOM 2742 C C . MET C 1 108 ? -101.545 -54.154 -45.243 1.00 34.16 ? 108 MET C C 1 +ATOM 2743 O O . MET C 1 108 ? -100.693 -54.890 -45.726 1.00 34.05 ? 108 MET C O 1 +ATOM 2744 C CB . MET C 1 108 ? -100.937 -52.940 -43.163 1.00 35.25 ? 108 MET C CB 1 +ATOM 2745 C CG . MET C 1 108 ? -100.301 -51.720 -42.532 1.00 38.53 ? 108 MET C CG 1 +ATOM 2746 S SD . MET C 1 108 ? -99.974 -51.969 -40.781 1.00 44.09 ? 108 MET C SD 1 +ATOM 2747 C CE . MET C 1 108 ? -101.523 -51.480 -40.090 1.00 43.32 ? 108 MET C CE 1 +ATOM 2748 N N . GLN C 1 109 ? -102.834 -54.474 -45.195 1.00 34.06 ? 109 GLN C N 1 +ATOM 2749 C CA . GLN C 1 109 ? -103.320 -55.739 -45.728 1.00 33.77 ? 109 GLN C CA 1 +ATOM 2750 C C . GLN C 1 109 ? -103.236 -55.714 -47.247 1.00 33.86 ? 109 GLN C C 1 +ATOM 2751 O O . GLN C 1 109 ? -102.898 -56.713 -47.872 1.00 34.03 ? 109 GLN C O 1 +ATOM 2752 C CB . GLN C 1 109 ? -104.763 -55.988 -45.289 1.00 32.92 ? 109 GLN C CB 1 +ATOM 2753 C CG . GLN C 1 109 ? -104.959 -56.052 -43.789 1.00 33.74 ? 109 GLN C CG 1 +ATOM 2754 C CD . GLN C 1 109 ? -106.421 -56.146 -43.408 1.00 35.56 ? 109 GLN C CD 1 +ATOM 2755 O OE1 . GLN C 1 109 ? -107.264 -55.493 -44.013 1.00 38.90 ? 109 GLN C OE1 1 +ATOM 2756 N NE2 . GLN C 1 109 ? -106.728 -56.947 -42.393 1.00 34.26 ? 109 GLN C NE2 1 +ATOM 2757 N N . GLY C 1 110 ? -103.547 -54.561 -47.833 1.00 33.94 ? 110 GLY C N 1 +ATOM 2758 C CA . GLY C 1 110 ? -103.491 -54.419 -49.277 1.00 33.93 ? 110 GLY C CA 1 +ATOM 2759 C C . GLY C 1 110 ? -102.068 -54.540 -49.788 1.00 35.03 ? 110 GLY C C 1 +ATOM 2760 O O . GLY C 1 110 ? -101.814 -55.169 -50.811 1.00 35.87 ? 110 GLY C O 1 +ATOM 2761 N N . LEU C 1 111 ? -101.135 -53.932 -49.067 1.00 34.92 ? 111 LEU C N 1 +ATOM 2762 C CA . LEU C 1 111 ? -99.728 -53.980 -49.424 1.00 34.24 ? 111 LEU C CA 1 +ATOM 2763 C C . LEU C 1 111 ? -99.225 -55.416 -49.559 1.00 35.18 ? 111 LEU C C 1 +ATOM 2764 O O . LEU C 1 111 ? -98.396 -55.711 -50.413 1.00 37.30 ? 111 LEU C O 1 +ATOM 2765 C CB . LEU C 1 111 ? -98.898 -53.270 -48.351 1.00 32.58 ? 111 LEU C CB 1 +ATOM 2766 C CG . LEU C 1 111 ? -97.377 -53.386 -48.470 1.00 31.60 ? 111 LEU C CG 1 +ATOM 2767 C CD1 . LEU C 1 111 ? -96.888 -52.470 -49.566 1.00 30.48 ? 111 LEU C CD1 1 +ATOM 2768 C CD2 . LEU C 1 111 ? -96.723 -53.020 -47.155 1.00 31.74 ? 111 LEU C CD2 1 +ATOM 2769 N N . LEU C 1 112 ? -99.734 -56.306 -48.716 1.00 34.98 ? 112 LEU C N 1 +ATOM 2770 C CA . LEU C 1 112 ? -99.284 -57.691 -48.710 1.00 35.20 ? 112 LEU C CA 1 +ATOM 2771 C C . LEU C 1 112 ? -100.199 -58.720 -49.361 1.00 35.61 ? 112 LEU C C 1 +ATOM 2772 O O . LEU C 1 112 ? -99.904 -59.911 -49.322 1.00 35.81 ? 112 LEU C O 1 +ATOM 2773 C CB . LEU C 1 112 ? -98.999 -58.121 -47.271 1.00 33.80 ? 112 LEU C CB 1 +ATOM 2774 C CG . LEU C 1 112 ? -97.895 -57.324 -46.579 1.00 34.10 ? 112 LEU C CG 1 +ATOM 2775 C CD1 . LEU C 1 112 ? -97.889 -57.620 -45.094 1.00 33.87 ? 112 LEU C CD1 1 +ATOM 2776 C CD2 . LEU C 1 112 ? -96.563 -57.666 -47.215 1.00 33.14 ? 112 LEU C CD2 1 +ATOM 2777 N N . LYS C 1 113 ? -101.295 -58.276 -49.961 1.00 36.08 ? 113 LYS C N 1 +ATOM 2778 C CA . LYS C 1 113 ? -102.225 -59.199 -50.596 1.00 37.43 ? 113 LYS C CA 1 +ATOM 2779 C C . LYS C 1 113 ? -101.570 -59.988 -51.734 1.00 38.78 ? 113 LYS C C 1 +ATOM 2780 O O . LYS C 1 113 ? -100.712 -59.465 -52.455 1.00 38.02 ? 113 LYS C O 1 +ATOM 2781 C CB . LYS C 1 113 ? -103.430 -58.437 -51.135 1.00 38.35 ? 113 LYS C CB 1 +ATOM 2782 C CG . LYS C 1 113 ? -104.518 -59.345 -51.648 1.00 43.10 ? 113 LYS C CG 1 +ATOM 2783 C CD . LYS C 1 113 ? -105.642 -58.555 -52.279 1.00 47.90 ? 113 LYS C CD 1 +ATOM 2784 C CE . LYS C 1 113 ? -106.814 -59.463 -52.657 1.00 50.40 ? 113 LYS C CE 1 +ATOM 2785 N NZ . LYS C 1 113 ? -107.873 -58.717 -53.407 1.00 53.06 ? 113 LYS C NZ 1 +ATOM 2786 N N . ASP C 1 114 ? -101.974 -61.245 -51.898 1.00 39.60 ? 114 ASP C N 1 +ATOM 2787 C CA . ASP C 1 114 ? -101.414 -62.082 -52.952 1.00 41.09 ? 114 ASP C CA 1 +ATOM 2788 C C . ASP C 1 114 ? -101.545 -61.467 -54.336 1.00 40.64 ? 114 ASP C C 1 +ATOM 2789 O O . ASP C 1 114 ? -102.588 -60.920 -54.691 1.00 41.19 ? 114 ASP C O 1 +ATOM 2790 C CB . ASP C 1 114 ? -102.071 -63.463 -52.974 1.00 43.09 ? 114 ASP C CB 1 +ATOM 2791 C CG . ASP C 1 114 ? -101.360 -64.460 -52.081 1.00 47.89 ? 114 ASP C CG 1 +ATOM 2792 O OD1 . ASP C 1 114 ? -100.110 -64.378 -51.954 1.00 49.37 ? 114 ASP C OD1 1 +ATOM 2793 O OD2 . ASP C 1 114 ? -102.053 -65.341 -51.518 1.00 50.68 ? 114 ASP C OD2 1 +ATOM 2794 N N . GLY C 1 115 ? -100.474 -61.571 -55.118 1.00 39.69 ? 115 GLY C N 1 +ATOM 2795 C CA . GLY C 1 115 ? -100.494 -61.034 -56.462 1.00 38.93 ? 115 GLY C CA 1 +ATOM 2796 C C . GLY C 1 115 ? -99.971 -59.619 -56.572 1.00 39.31 ? 115 GLY C C 1 +ATOM 2797 O O . GLY C 1 115 ? -99.633 -59.166 -57.667 1.00 40.22 ? 115 GLY C O 1 +ATOM 2798 N N . ASN C 1 116 ? -99.908 -58.903 -55.453 1.00 38.08 ? 116 ASN C N 1 +ATOM 2799 C CA . ASN C 1 116 ? -99.402 -57.546 -55.499 1.00 36.18 ? 116 ASN C CA 1 +ATOM 2800 C C . ASN C 1 116 ? -97.888 -57.573 -55.601 1.00 35.79 ? 116 ASN C C 1 +ATOM 2801 O O . ASN C 1 116 ? -97.248 -58.556 -55.235 1.00 34.50 ? 116 ASN C O 1 +ATOM 2802 C CB . ASN C 1 116 ? -99.886 -56.750 -54.290 1.00 35.65 ? 116 ASN C CB 1 +ATOM 2803 C CG . ASN C 1 116 ? -101.335 -56.335 -54.431 1.00 36.18 ? 116 ASN C CG 1 +ATOM 2804 O OD1 . ASN C 1 116 ? -101.903 -56.431 -55.515 1.00 36.08 ? 116 ASN C OD1 1 +ATOM 2805 N ND2 . ASN C 1 116 ? -101.935 -55.864 -53.349 1.00 35.77 ? 116 ASN C ND2 1 +ATOM 2806 N N . PRO C 1 117 ? -97.296 -56.488 -56.113 1.00 35.68 ? 117 PRO C N 1 +ATOM 2807 C CA . PRO C 1 117 ? -95.855 -56.346 -56.301 1.00 35.47 ? 117 PRO C CA 1 +ATOM 2808 C C . PRO C 1 117 ? -94.926 -56.813 -55.195 1.00 35.61 ? 117 PRO C C 1 +ATOM 2809 O O . PRO C 1 117 ? -94.050 -57.648 -55.428 1.00 36.62 ? 117 PRO C O 1 +ATOM 2810 C CB . PRO C 1 117 ? -95.696 -54.859 -56.593 1.00 35.00 ? 117 PRO C CB 1 +ATOM 2811 C CG . PRO C 1 117 ? -96.943 -54.546 -57.321 1.00 34.62 ? 117 PRO C CG 1 +ATOM 2812 C CD . PRO C 1 117 ? -97.979 -55.235 -56.474 1.00 34.47 ? 117 PRO C CD 1 +ATOM 2813 N N . ILE C 1 118 ? -95.112 -56.287 -53.993 1.00 34.84 ? 118 ILE C N 1 +ATOM 2814 C CA . ILE C 1 118 ? -94.226 -56.627 -52.896 1.00 34.40 ? 118 ILE C CA 1 +ATOM 2815 C C . ILE C 1 118 ? -94.272 -58.064 -52.398 1.00 33.98 ? 118 ILE C C 1 +ATOM 2816 O O . ILE C 1 118 ? -93.232 -58.714 -52.306 1.00 32.28 ? 118 ILE C O 1 +ATOM 2817 C CB . ILE C 1 118 ? -94.411 -55.619 -51.762 1.00 35.67 ? 118 ILE C CB 1 +ATOM 2818 C CG1 . ILE C 1 118 ? -93.980 -54.249 -52.296 1.00 35.00 ? 118 ILE C CG1 1 +ATOM 2819 C CG2 . ILE C 1 118 ? -93.607 -56.023 -50.534 1.00 33.57 ? 118 ILE C CG2 1 +ATOM 2820 C CD1 . ILE C 1 118 ? -94.002 -53.155 -51.294 1.00 40.57 ? 118 ILE C CD1 1 +ATOM 2821 N N . PRO C 1 119 ? -95.461 -58.588 -52.069 1.00 33.64 ? 119 PRO C N 1 +ATOM 2822 C CA . PRO C 1 119 ? -95.454 -59.978 -51.605 1.00 33.57 ? 119 PRO C CA 1 +ATOM 2823 C C . PRO C 1 119 ? -94.963 -60.929 -52.708 1.00 34.73 ? 119 PRO C C 1 +ATOM 2824 O O . PRO C 1 119 ? -94.386 -61.974 -52.421 1.00 34.77 ? 119 PRO C O 1 +ATOM 2825 C CB . PRO C 1 119 ? -96.908 -60.216 -51.202 1.00 31.11 ? 119 PRO C CB 1 +ATOM 2826 C CG . PRO C 1 119 ? -97.664 -59.268 -52.058 1.00 32.22 ? 119 PRO C CG 1 +ATOM 2827 C CD . PRO C 1 119 ? -96.816 -58.022 -52.007 1.00 32.79 ? 119 PRO C CD 1 +ATOM 2828 N N . SER C 1 120 ? -95.174 -60.553 -53.966 1.00 34.95 ? 120 SER C N 1 +ATOM 2829 C CA . SER C 1 120 ? -94.735 -61.374 -55.090 1.00 36.19 ? 120 SER C CA 1 +ATOM 2830 C C . SER C 1 120 ? -93.223 -61.402 -55.213 1.00 36.29 ? 120 SER C C 1 +ATOM 2831 O O . SER C 1 120 ? -92.641 -62.444 -55.510 1.00 37.08 ? 120 SER C O 1 +ATOM 2832 C CB . SER C 1 120 ? -95.322 -60.853 -56.397 1.00 36.34 ? 120 SER C CB 1 +ATOM 2833 O OG . SER C 1 120 ? -96.720 -61.033 -56.411 1.00 40.89 ? 120 SER C OG 1 +ATOM 2834 N N . ALA C 1 121 ? -92.589 -60.253 -55.001 1.00 35.00 ? 121 ALA C N 1 +ATOM 2835 C CA . ALA C 1 121 ? -91.141 -60.153 -55.081 1.00 33.81 ? 121 ALA C CA 1 +ATOM 2836 C C . ALA C 1 121 ? -90.502 -61.006 -53.992 1.00 35.01 ? 121 ALA C C 1 +ATOM 2837 O O . ALA C 1 121 ? -89.618 -61.811 -54.266 1.00 35.90 ? 121 ALA C O 1 +ATOM 2838 C CB . ALA C 1 121 ? -90.709 -58.706 -54.932 1.00 32.63 ? 121 ALA C CB 1 +ATOM 2839 N N . ILE C 1 122 ? -90.964 -60.829 -52.759 1.00 35.08 ? 122 ILE C N 1 +ATOM 2840 C CA . ILE C 1 122 ? -90.435 -61.569 -51.620 1.00 34.90 ? 122 ILE C CA 1 +ATOM 2841 C C . ILE C 1 122 ? -90.567 -63.083 -51.792 1.00 35.42 ? 122 ILE C C 1 +ATOM 2842 O O . ILE C 1 122 ? -89.612 -63.828 -51.578 1.00 36.13 ? 122 ILE C O 1 +ATOM 2843 C CB . ILE C 1 122 ? -91.149 -61.152 -50.303 1.00 33.69 ? 122 ILE C CB 1 +ATOM 2844 C CG1 . ILE C 1 122 ? -90.896 -59.671 -50.019 1.00 32.46 ? 122 ILE C CG1 1 +ATOM 2845 C CG2 . ILE C 1 122 ? -90.652 -61.998 -49.142 1.00 32.47 ? 122 ILE C CG2 1 +ATOM 2846 C CD1 . ILE C 1 122 ? -91.700 -59.127 -48.862 1.00 30.32 ? 122 ILE C CD1 1 +ATOM 2847 N N . ALA C 1 123 ? -91.752 -63.531 -52.184 1.00 34.52 ? 123 ALA C N 1 +ATOM 2848 C CA . ALA C 1 123 ? -91.997 -64.952 -52.362 1.00 35.04 ? 123 ALA C CA 1 +ATOM 2849 C C . ALA C 1 123 ? -91.125 -65.578 -53.448 1.00 36.71 ? 123 ALA C C 1 +ATOM 2850 O O . ALA C 1 123 ? -90.945 -66.796 -53.473 1.00 38.18 ? 123 ALA C O 1 +ATOM 2851 C CB . ALA C 1 123 ? -93.462 -65.188 -52.681 1.00 34.03 ? 123 ALA C CB 1 +ATOM 2852 N N . ALA C 1 124 ? -90.581 -64.753 -54.339 1.00 36.28 ? 124 ALA C N 1 +ATOM 2853 C CA . ALA C 1 124 ? -89.752 -65.266 -55.422 1.00 35.96 ? 124 ALA C CA 1 +ATOM 2854 C C . ALA C 1 124 ? -88.276 -64.913 -55.275 1.00 37.12 ? 124 ALA C C 1 +ATOM 2855 O O . ALA C 1 124 ? -87.526 -64.957 -56.252 1.00 37.84 ? 124 ALA C O 1 +ATOM 2856 C CB . ALA C 1 124 ? -90.274 -64.760 -56.750 1.00 32.41 ? 124 ALA C CB 1 +ATOM 2857 N N . ASN C 1 125 ? -87.854 -64.574 -54.059 1.00 38.05 ? 125 ASN C N 1 +ATOM 2858 C CA . ASN C 1 125 ? -86.457 -64.220 -53.829 1.00 39.31 ? 125 ASN C CA 1 +ATOM 2859 C C . ASN C 1 125 ? -86.055 -63.087 -54.758 1.00 39.98 ? 125 ASN C C 1 +ATOM 2860 O O . ASN C 1 125 ? -84.902 -63.003 -55.154 1.00 41.24 ? 125 ASN C O 1 +ATOM 2861 C CB . ASN C 1 125 ? -85.555 -65.415 -54.134 1.00 40.76 ? 125 ASN C CB 1 +ATOM 2862 C CG . ASN C 1 125 ? -85.133 -66.161 -52.892 1.00 43.04 ? 125 ASN C CG 1 +ATOM 2863 O OD1 . ASN C 1 125 ? -84.480 -65.596 -52.009 1.00 43.65 ? 125 ASN C OD1 1 +ATOM 2864 N ND2 . ASN C 1 125 ? -85.497 -67.445 -52.817 1.00 42.92 ? 125 ASN C ND2 1 +ATOM 2865 N N . SER C 1 126 ? -86.993 -62.213 -55.099 1.00 39.61 ? 126 SER C N 1 +ATOM 2866 C CA . SER C 1 126 ? -86.697 -61.140 -56.037 1.00 38.71 ? 126 SER C CA 1 +ATOM 2867 C C . SER C 1 126 ? -86.862 -59.722 -55.513 1.00 38.57 ? 126 SER C C 1 +ATOM 2868 O O . SER C 1 126 ? -87.303 -59.496 -54.389 1.00 40.51 ? 126 SER C O 1 +ATOM 2869 C CB . SER C 1 126 ? -87.573 -61.310 -57.284 1.00 37.76 ? 126 SER C CB 1 +ATOM 2870 O OG . SER C 1 126 ? -87.423 -62.604 -57.847 1.00 39.31 ? 126 SER C OG 1 +ATOM 2871 N N . GLY C 1 127 ? -86.483 -58.769 -56.356 1.00 37.00 ? 127 GLY C N 1 +ATOM 2872 C CA . GLY C 1 127 ? -86.622 -57.367 -56.031 1.00 35.75 ? 127 GLY C CA 1 +ATOM 2873 C C . GLY C 1 127 ? -87.677 -56.838 -56.987 1.00 35.92 ? 127 GLY C C 1 +ATOM 2874 O O . GLY C 1 127 ? -88.504 -57.601 -57.482 1.00 35.64 ? 127 GLY C O 1 +ATOM 2875 N N . ILE C 1 128 ? -87.659 -55.540 -57.254 1.00 36.01 ? 128 ILE C N 1 +ATOM 2876 C CA . ILE C 1 128 ? -88.627 -54.963 -58.171 1.00 36.38 ? 128 ILE C CA 1 +ATOM 2877 C C . ILE C 1 128 ? -87.989 -54.911 -59.556 1.00 37.78 ? 128 ILE C C 1 +ATOM 2878 O O . ILE C 1 128 ? -86.776 -54.733 -59.683 1.00 38.42 ? 128 ILE C O 1 +ATOM 2879 C CB . ILE C 1 128 ? -89.033 -53.546 -57.712 1.00 35.81 ? 128 ILE C CB 1 +ATOM 2880 C CG1 . ILE C 1 128 ? -89.546 -53.598 -56.269 1.00 35.02 ? 128 ILE C CG1 1 +ATOM 2881 C CG2 . ILE C 1 128 ? -90.090 -52.977 -58.640 1.00 34.63 ? 128 ILE C CG2 1 +ATOM 2882 C CD1 . ILE C 1 128 ? -90.718 -54.535 -56.053 1.00 33.28 ? 128 ILE C CD1 1 +ATOM 2883 N N . TYR C 1 129 ? -88.798 -55.080 -60.595 1.00 37.71 ? 129 TYR C N 1 +ATOM 2884 C CA . TYR C 1 129 ? -88.283 -55.056 -61.961 1.00 39.17 ? 129 TYR C CA 1 +ATOM 2885 C C . TYR C 1 129 ? -89.393 -54.711 -62.946 1.00 40.81 ? 129 TYR C C 1 +ATOM 2886 O O . TYR C 1 129 ? -89.088 -54.063 -63.971 1.00 42.82 ? 129 TYR C O 1 +ATOM 2887 C CB . TYR C 1 129 ? -87.663 -56.414 -62.312 1.00 37.37 ? 129 TYR C CB 1 +ATOM 2888 C CG . TYR C 1 129 ? -88.637 -57.570 -62.234 1.00 37.19 ? 129 TYR C CG 1 +ATOM 2889 C CD1 . TYR C 1 129 ? -89.525 -57.835 -63.282 1.00 37.15 ? 129 TYR C CD1 1 +ATOM 2890 C CD2 . TYR C 1 129 ? -88.701 -58.375 -61.094 1.00 36.79 ? 129 TYR C CD2 1 +ATOM 2891 C CE1 . TYR C 1 129 ? -90.451 -58.867 -63.197 1.00 37.15 ? 129 TYR C CE1 1 +ATOM 2892 C CE2 . TYR C 1 129 ? -89.623 -59.407 -60.993 1.00 37.50 ? 129 TYR C CE2 1 +ATOM 2893 C CZ . TYR C 1 129 ? -90.496 -59.647 -62.048 1.00 39.34 ? 129 TYR C CZ 1 +ATOM 2894 O OH . TYR C 1 129 ? -91.425 -60.655 -61.943 1.00 42.29 ? 129 TYR C OH 1 +ATOM 2895 O OXT . TYR C 1 129 ? -90.554 -55.102 -62.683 1.00 41.48 ? 129 TYR C OXT 1 +ATOM 2896 O "O5'" . C D 2 2 ? -93.865 -47.313 -3.866 0.70 85.51 ? 2 C R "O5'" 1 +ATOM 2897 C "C5'" . C D 2 2 ? -92.855 -46.998 -2.903 0.70 86.68 ? 2 C R "C5'" 1 +ATOM 2898 C "C4'" . C D 2 2 ? -93.076 -47.601 -1.528 0.70 87.79 ? 2 C R "C4'" 1 +ATOM 2899 O "O4'" . C D 2 2 ? -91.861 -47.446 -0.738 0.70 88.31 ? 2 C R "O4'" 1 +ATOM 2900 C "C3'" . C D 2 2 ? -94.207 -47.018 -0.675 0.70 88.20 ? 2 C R "C3'" 1 +ATOM 2901 O "O3'" . C D 2 2 ? -95.186 -46.113 -1.175 0.70 88.49 ? 2 C R "O3'" 1 +ATOM 2902 C "C2'" . C D 2 2 ? -93.643 -46.907 0.742 0.70 88.16 ? 2 C R "C2'" 1 +ATOM 2903 O "O2'" . C D 2 2 ? -93.837 -48.089 1.498 0.70 87.46 ? 2 C R "O2'" 1 +ATOM 2904 C "C1'" . C D 2 2 ? -92.148 -46.725 0.454 0.70 88.01 ? 2 C R "C1'" 1 +ATOM 2905 N N1 . C D 2 2 ? -91.659 -45.334 0.289 0.70 87.49 ? 2 C R N1 1 +ATOM 2906 C C2 . C D 2 2 ? -91.466 -44.525 1.439 0.70 86.93 ? 2 C R C2 1 +ATOM 2907 O O2 . C D 2 2 ? -91.778 -44.977 2.566 0.70 85.94 ? 2 C R O2 1 +ATOM 2908 N N3 . C D 2 2 ? -90.952 -43.275 1.283 0.70 86.44 ? 2 C R N3 1 +ATOM 2909 C C4 . C D 2 2 ? -90.651 -42.819 0.058 0.70 86.30 ? 2 C R C4 1 +ATOM 2910 N N4 . C D 2 2 ? -90.128 -41.591 -0.047 0.70 85.31 ? 2 C R N4 1 +ATOM 2911 C C5 . C D 2 2 ? -90.867 -43.602 -1.118 0.70 85.96 ? 2 C R C5 1 +ATOM 2912 C C6 . C D 2 2 ? -91.368 -44.837 -0.958 0.70 86.65 ? 2 C R C6 1 +ATOM 2913 P P . A D 2 3 ? -96.659 -46.073 -0.489 0.70 88.64 ? 3 A R P 1 +ATOM 2914 O OP1 . A D 2 3 ? -97.044 -47.488 -0.144 0.70 88.47 ? 3 A R OP1 1 +ATOM 2915 O OP2 . A D 2 3 ? -97.550 -45.267 -1.390 0.70 87.90 ? 3 A R OP2 1 +ATOM 2916 O "O5'" . A D 2 3 ? -96.448 -45.263 0.882 0.70 85.48 ? 3 A R "O5'" 1 +ATOM 2917 C "C5'" . A D 2 3 ? -96.742 -45.863 2.152 0.70 80.93 ? 3 A R "C5'" 1 +ATOM 2918 C "C4'" . A D 2 3 ? -96.488 -44.878 3.276 0.70 78.79 ? 3 A R "C4'" 1 +ATOM 2919 O "O4'" . A D 2 3 ? -95.104 -44.428 3.230 0.70 78.00 ? 3 A R "O4'" 1 +ATOM 2920 C "C3'" . A D 2 3 ? -97.290 -43.584 3.233 0.70 77.93 ? 3 A R "C3'" 1 +ATOM 2921 O "O3'" . A D 2 3 ? -98.593 -43.753 3.791 0.70 77.03 ? 3 A R "O3'" 1 +ATOM 2922 C "C2'" . A D 2 3 ? -96.432 -42.631 4.062 0.70 77.12 ? 3 A R "C2'" 1 +ATOM 2923 O "O2'" . A D 2 3 ? -96.592 -42.803 5.460 0.70 75.81 ? 3 A R "O2'" 1 +ATOM 2924 C "C1'" . A D 2 3 ? -95.022 -43.073 3.661 0.70 76.05 ? 3 A R "C1'" 1 +ATOM 2925 N N9 . A D 2 3 ? -94.420 -42.273 2.588 0.70 74.18 ? 3 A R N9 1 +ATOM 2926 C C8 . A D 2 3 ? -94.245 -42.622 1.265 0.70 73.55 ? 3 A R C8 1 +ATOM 2927 N N7 . A D 2 3 ? -93.617 -41.710 0.557 0.70 72.59 ? 3 A R N7 1 +ATOM 2928 C C5 . A D 2 3 ? -93.370 -40.691 1.468 0.70 72.56 ? 3 A R C5 1 +ATOM 2929 C C6 . A D 2 3 ? -92.715 -39.445 1.343 0.70 72.64 ? 3 A R C6 1 +ATOM 2930 N N6 . A D 2 3 ? -92.155 -39.014 0.206 0.70 72.13 ? 3 A R N6 1 +ATOM 2931 N N1 . A D 2 3 ? -92.649 -38.655 2.443 0.70 72.20 ? 3 A R N1 1 +ATOM 2932 C C2 . A D 2 3 ? -93.199 -39.101 3.587 0.70 72.31 ? 3 A R C2 1 +ATOM 2933 N N3 . A D 2 3 ? -93.827 -40.256 3.831 0.70 72.14 ? 3 A R N3 1 +ATOM 2934 C C4 . A D 2 3 ? -93.877 -41.014 2.719 0.70 72.91 ? 3 A R C4 1 +ATOM 2935 P P . U D 2 4 ? -99.801 -42.816 3.284 0.70 75.68 ? 4 U R P 1 +ATOM 2936 O OP1 . U D 2 4 ? -101.049 -43.232 3.995 0.70 75.06 ? 4 U R OP1 1 +ATOM 2937 O OP2 . U D 2 4 ? -99.755 -42.835 1.781 0.70 74.62 ? 4 U R OP2 1 +ATOM 2938 O "O5'" . U D 2 4 ? -99.395 -41.355 3.797 0.70 71.65 ? 4 U R "O5'" 1 +ATOM 2939 C "C5'" . U D 2 4 ? -99.693 -40.941 5.129 0.70 65.81 ? 4 U R "C5'" 1 +ATOM 2940 C "C4'" . U D 2 4 ? -99.329 -39.484 5.320 0.70 62.11 ? 4 U R "C4'" 1 +ATOM 2941 O "O4'" . U D 2 4 ? -97.912 -39.312 5.049 0.70 60.17 ? 4 U R "O4'" 1 +ATOM 2942 C "C3'" . U D 2 4 ? -99.999 -38.489 4.382 0.70 60.34 ? 4 U R "C3'" 1 +ATOM 2943 O "O3'" . U D 2 4 ? -101.309 -38.141 4.825 0.70 59.26 ? 4 U R "O3'" 1 +ATOM 2944 C "C2'" . U D 2 4 ? -99.034 -37.311 4.426 0.70 59.03 ? 4 U R "C2'" 1 +ATOM 2945 O "O2'" . U D 2 4 ? -99.166 -36.521 5.597 0.70 58.70 ? 4 U R "O2'" 1 +ATOM 2946 C "C1'" . U D 2 4 ? -97.688 -38.036 4.466 0.70 57.67 ? 4 U R "C1'" 1 +ATOM 2947 N N1 . U D 2 4 ? -97.102 -38.231 3.130 0.70 55.16 ? 4 U R N1 1 +ATOM 2948 C C2 . U D 2 4 ? -96.330 -37.200 2.603 0.70 54.16 ? 4 U R C2 1 +ATOM 2949 O O2 . U D 2 4 ? -96.117 -36.150 3.197 0.70 53.22 ? 4 U R O2 1 +ATOM 2950 N N3 . U D 2 4 ? -95.822 -37.443 1.350 0.70 53.08 ? 4 U R N3 1 +ATOM 2951 C C4 . U D 2 4 ? -96.006 -38.575 0.580 0.70 53.24 ? 4 U R C4 1 +ATOM 2952 O O4 . U D 2 4 ? -95.554 -38.605 -0.567 0.70 53.57 ? 4 U R O4 1 +ATOM 2953 C C5 . U D 2 4 ? -96.804 -39.594 1.195 0.70 53.37 ? 4 U R C5 1 +ATOM 2954 C C6 . U D 2 4 ? -97.312 -39.393 2.417 0.70 54.02 ? 4 U R C6 1 +ATOM 2955 P P . G D 2 5 ? -102.401 -37.612 3.764 0.70 58.63 ? 5 G R P 1 +ATOM 2956 O OP1 . G D 2 5 ? -103.682 -37.417 4.506 0.70 57.66 ? 5 G R OP1 1 +ATOM 2957 O OP2 . G D 2 5 ? -102.368 -38.519 2.578 0.70 56.41 ? 5 G R OP2 1 +ATOM 2958 O "O5'" . G D 2 5 ? -101.852 -36.175 3.328 0.70 55.16 ? 5 G R "O5'" 1 +ATOM 2959 C "C5'" . G D 2 5 ? -101.940 -35.057 4.213 0.70 49.88 ? 5 G R "C5'" 1 +ATOM 2960 C "C4'" . G D 2 5 ? -101.367 -33.815 3.562 0.70 47.16 ? 5 G R "C4'" 1 +ATOM 2961 O "O4'" . G D 2 5 ? -99.963 -34.027 3.266 0.70 46.61 ? 5 G R "O4'" 1 +ATOM 2962 C "C3'" . G D 2 5 ? -101.956 -33.406 2.221 0.70 45.82 ? 5 G R "C3'" 1 +ATOM 2963 O "O3'" . G D 2 5 ? -103.163 -32.668 2.377 0.70 43.65 ? 5 G R "O3'" 1 +ATOM 2964 C "C2'" . G D 2 5 ? -100.849 -32.529 1.648 0.70 45.13 ? 5 G R "C2'" 1 +ATOM 2965 O "O2'" . G D 2 5 ? -100.842 -31.234 2.216 0.70 44.39 ? 5 G R "O2'" 1 +ATOM 2966 C "C1'" . G D 2 5 ? -99.600 -33.282 2.116 0.70 43.87 ? 5 G R "C1'" 1 +ATOM 2967 N N9 . G D 2 5 ? -99.054 -34.199 1.121 0.70 42.10 ? 5 G R N9 1 +ATOM 2968 C C8 . G D 2 5 ? -99.381 -35.522 0.940 0.70 41.11 ? 5 G R C8 1 +ATOM 2969 N N7 . G D 2 5 ? -98.718 -36.084 -0.034 0.70 41.44 ? 5 G R N7 1 +ATOM 2970 C C5 . G D 2 5 ? -97.901 -35.075 -0.526 0.70 41.31 ? 5 G R C5 1 +ATOM 2971 C C6 . G D 2 5 ? -96.950 -35.089 -1.587 0.70 41.80 ? 5 G R C6 1 +ATOM 2972 O O6 . G D 2 5 ? -96.619 -36.034 -2.317 0.70 42.12 ? 5 G R O6 1 +ATOM 2973 N N1 . G D 2 5 ? -96.356 -33.841 -1.759 0.70 41.34 ? 5 G R N1 1 +ATOM 2974 C C2 . G D 2 5 ? -96.632 -32.724 -1.007 0.70 42.20 ? 5 G R C2 1 +ATOM 2975 N N2 . G D 2 5 ? -95.960 -31.609 -1.334 0.70 41.37 ? 5 G R N2 1 +ATOM 2976 N N3 . G D 2 5 ? -97.506 -32.701 -0.008 0.70 42.17 ? 5 G R N3 1 +ATOM 2977 C C4 . G D 2 5 ? -98.100 -33.903 0.174 0.70 41.99 ? 5 G R C4 1 +ATOM 2978 P P . A D 2 6 ? -104.572 -33.372 2.067 0.70 41.16 ? 6 A R P 1 +ATOM 2979 O OP1 . A D 2 6 ? -105.101 -33.891 3.355 0.70 40.62 ? 6 A R OP1 1 +ATOM 2980 O OP2 . A D 2 6 ? -104.388 -34.298 0.918 0.70 40.96 ? 6 A R OP2 1 +ATOM 2981 O "O5'" . A D 2 6 ? -105.518 -32.170 1.627 0.70 39.06 ? 6 A R "O5'" 1 +ATOM 2982 C "C5'" . A D 2 6 ? -105.359 -31.515 0.373 0.70 35.87 ? 6 A R "C5'" 1 +ATOM 2983 C "C4'" . A D 2 6 ? -106.027 -30.166 0.422 0.70 34.93 ? 6 A R "C4'" 1 +ATOM 2984 O "O4'" . A D 2 6 ? -107.441 -30.342 0.697 0.70 34.68 ? 6 A R "O4'" 1 +ATOM 2985 C "C3'" . A D 2 6 ? -105.491 -29.253 1.514 0.70 34.52 ? 6 A R "C3'" 1 +ATOM 2986 O "O3'" . A D 2 6 ? -104.507 -28.376 0.964 0.70 35.93 ? 6 A R "O3'" 1 +ATOM 2987 C "C2'" . A D 2 6 ? -106.737 -28.508 1.983 0.70 33.55 ? 6 A R "C2'" 1 +ATOM 2988 O "O2'" . A D 2 6 ? -107.071 -27.439 1.124 0.70 33.19 ? 6 A R "O2'" 1 +ATOM 2989 C "C1'" . A D 2 6 ? -107.809 -29.591 1.835 0.70 33.38 ? 6 A R "C1'" 1 +ATOM 2990 N N9 . A D 2 6 ? -107.974 -30.536 2.945 0.70 32.79 ? 6 A R N9 1 +ATOM 2991 C C8 . A D 2 6 ? -107.169 -30.749 4.038 0.70 33.23 ? 6 A R C8 1 +ATOM 2992 N N7 . A D 2 6 ? -107.574 -31.730 4.809 0.70 32.18 ? 6 A R N7 1 +ATOM 2993 C C5 . A D 2 6 ? -108.731 -32.184 4.192 0.70 30.78 ? 6 A R C5 1 +ATOM 2994 C C6 . A D 2 6 ? -109.628 -33.222 4.504 0.70 29.14 ? 6 A R C6 1 +ATOM 2995 N N6 . A D 2 6 ? -109.490 -34.029 5.557 0.70 24.94 ? 6 A R N6 1 +ATOM 2996 N N1 . A D 2 6 ? -110.684 -33.408 3.683 0.70 29.93 ? 6 A R N1 1 +ATOM 2997 C C2 . A D 2 6 ? -110.820 -32.604 2.621 0.70 28.69 ? 6 A R C2 1 +ATOM 2998 N N3 . A D 2 6 ? -110.043 -31.603 2.219 0.70 30.12 ? 6 A R N3 1 +ATOM 2999 C C4 . A D 2 6 ? -109.001 -31.443 3.055 0.70 31.22 ? 6 A R C4 1 +ATOM 3000 P P . G D 2 7 ? -102.960 -28.512 1.393 0.70 36.12 ? 7 G R P 1 +ATOM 3001 O OP1 . G D 2 7 ? -102.858 -28.930 2.813 0.70 36.96 ? 7 G R OP1 1 +ATOM 3002 O OP2 . G D 2 7 ? -102.330 -27.245 0.952 0.70 36.47 ? 7 G R OP2 1 +ATOM 3003 O "O5'" . G D 2 7 ? -102.376 -29.689 0.493 0.70 33.76 ? 7 G R "O5'" 1 +ATOM 3004 C "C5'" . G D 2 7 ? -102.526 -29.670 -0.919 0.70 33.18 ? 7 G R "C5'" 1 +ATOM 3005 C "C4'" . G D 2 7 ? -101.287 -29.105 -1.565 0.70 32.99 ? 7 G R "C4'" 1 +ATOM 3006 O "O4'" . G D 2 7 ? -100.140 -29.953 -1.280 0.70 33.79 ? 7 G R "O4'" 1 +ATOM 3007 C "C3'" . G D 2 7 ? -101.327 -29.061 -3.080 0.70 33.02 ? 7 G R "C3'" 1 +ATOM 3008 O "O3'" . G D 2 7 ? -102.071 -27.946 -3.545 0.70 32.41 ? 7 G R "O3'" 1 +ATOM 3009 C "C2'" . G D 2 7 ? -99.849 -28.997 -3.435 0.70 33.60 ? 7 G R "C2'" 1 +ATOM 3010 O "O2'" . G D 2 7 ? -99.290 -27.708 -3.252 0.70 34.59 ? 7 G R "O2'" 1 +ATOM 3011 C "C1'" . G D 2 7 ? -99.265 -29.966 -2.402 0.70 33.26 ? 7 G R "C1'" 1 +ATOM 3012 N N9 . G D 2 7 ? -99.196 -31.334 -2.913 0.70 33.55 ? 7 G R N9 1 +ATOM 3013 C C8 . G D 2 7 ? -99.864 -32.432 -2.429 0.70 34.09 ? 7 G R C8 1 +ATOM 3014 N N7 . G D 2 7 ? -99.626 -33.519 -3.111 0.70 34.98 ? 7 G R N7 1 +ATOM 3015 C C5 . G D 2 7 ? -98.741 -33.116 -4.102 0.70 34.81 ? 7 G R C5 1 +ATOM 3016 C C6 . G D 2 7 ? -98.133 -33.861 -5.148 0.70 35.79 ? 7 G R C6 1 +ATOM 3017 O O6 . G D 2 7 ? -98.263 -35.063 -5.417 0.70 36.70 ? 7 G R O6 1 +ATOM 3018 N N1 . G D 2 7 ? -97.303 -33.062 -5.927 0.70 35.15 ? 7 G R N1 1 +ATOM 3019 C C2 . G D 2 7 ? -97.085 -31.721 -5.729 0.70 35.50 ? 7 G R C2 1 +ATOM 3020 N N2 . G D 2 7 ? -96.248 -31.126 -6.592 0.70 36.64 ? 7 G R N2 1 +ATOM 3021 N N3 . G D 2 7 ? -97.646 -31.017 -4.760 0.70 34.81 ? 7 G R N3 1 +ATOM 3022 C C4 . G D 2 7 ? -98.459 -31.774 -3.989 0.70 34.06 ? 7 G R C4 1 +ATOM 3023 P P . G D 2 8 ? -103.061 -28.121 -4.794 0.70 32.34 ? 8 G R P 1 +ATOM 3024 O OP1 . G D 2 8 ? -103.992 -26.965 -4.796 0.70 30.91 ? 8 G R OP1 1 +ATOM 3025 O OP2 . G D 2 8 ? -103.604 -29.499 -4.761 0.70 32.83 ? 8 G R OP2 1 +ATOM 3026 O "O5'" . G D 2 8 ? -102.097 -28.029 -6.057 0.70 32.17 ? 8 G R "O5'" 1 +ATOM 3027 C "C5'" . G D 2 8 ? -101.470 -26.802 -6.410 0.70 32.10 ? 8 G R "C5'" 1 +ATOM 3028 C "C4'" . G D 2 8 ? -100.565 -26.996 -7.601 0.70 32.64 ? 8 G R "C4'" 1 +ATOM 3029 O "O4'" . G D 2 8 ? -99.466 -27.877 -7.238 0.70 32.99 ? 8 G R "O4'" 1 +ATOM 3030 C "C3'" . G D 2 8 ? -101.175 -27.695 -8.802 0.70 33.74 ? 8 G R "C3'" 1 +ATOM 3031 O "O3'" . G D 2 8 ? -102.015 -26.873 -9.595 0.70 33.88 ? 8 G R "O3'" 1 +ATOM 3032 C "C2'" . G D 2 8 ? -99.937 -28.173 -9.540 0.70 34.33 ? 8 G R "C2'" 1 +ATOM 3033 O "O2'" . G D 2 8 ? -99.267 -27.140 -10.234 0.70 34.54 ? 8 G R "O2'" 1 +ATOM 3034 C "C1'" . G D 2 8 ? -99.082 -28.654 -8.367 0.70 33.90 ? 8 G R "C1'" 1 +ATOM 3035 N N9 . G D 2 8 ? -99.363 -30.060 -8.085 0.70 34.51 ? 8 G R N9 1 +ATOM 3036 C C8 . G D 2 8 ? -100.116 -30.573 -7.055 0.70 34.05 ? 8 G R C8 1 +ATOM 3037 N N7 . G D 2 8 ? -100.224 -31.873 -7.097 0.70 33.82 ? 8 G R N7 1 +ATOM 3038 C C5 . G D 2 8 ? -99.489 -32.242 -8.214 0.70 35.12 ? 8 G R C5 1 +ATOM 3039 C C6 . G D 2 8 ? -99.244 -33.526 -8.769 0.70 36.13 ? 8 G R C6 1 +ATOM 3040 O O6 . G D 2 8 ? -99.644 -34.625 -8.374 0.70 37.67 ? 8 G R O6 1 +ATOM 3041 N N1 . G D 2 8 ? -98.444 -33.448 -9.906 0.70 36.67 ? 8 G R N1 1 +ATOM 3042 C C2 . G D 2 8 ? -97.946 -32.287 -10.443 0.70 36.66 ? 8 G R C2 1 +ATOM 3043 N N2 . G D 2 8 ? -97.200 -32.421 -11.548 0.70 36.03 ? 8 G R N2 1 +ATOM 3044 N N3 . G D 2 8 ? -98.168 -31.083 -9.935 0.70 35.69 ? 8 G R N3 1 +ATOM 3045 C C4 . G D 2 8 ? -98.941 -31.137 -8.830 0.70 34.75 ? 8 G R C4 1 +ATOM 3046 P P . A D 2 9 ? -103.181 -27.554 -10.465 0.70 35.27 ? 9 A R P 1 +ATOM 3047 O OP1 . A D 2 9 ? -104.115 -26.509 -10.938 0.70 35.01 ? 9 A R OP1 1 +ATOM 3048 O OP2 . A D 2 9 ? -103.703 -28.702 -9.681 0.70 34.47 ? 9 A R OP2 1 +ATOM 3049 O "O5'" . A D 2 9 ? -102.424 -28.161 -11.725 0.70 34.71 ? 9 A R "O5'" 1 +ATOM 3050 C "C5'" . A D 2 9 ? -101.493 -27.384 -12.473 0.70 33.83 ? 9 A R "C5'" 1 +ATOM 3051 C "C4'" . A D 2 9 ? -100.722 -28.273 -13.420 0.70 33.49 ? 9 A R "C4'" 1 +ATOM 3052 O "O4'" . A D 2 9 ? -99.997 -29.272 -12.662 0.70 34.12 ? 9 A R "O4'" 1 +ATOM 3053 C "C3'" . A D 2 9 ? -101.578 -29.073 -14.382 0.70 33.11 ? 9 A R "C3'" 1 +ATOM 3054 O "O3'" . A D 2 9 ? -101.877 -28.271 -15.512 0.70 34.19 ? 9 A R "O3'" 1 +ATOM 3055 C "C2'" . A D 2 9 ? -100.683 -30.259 -14.715 0.70 33.25 ? 9 A R "C2'" 1 +ATOM 3056 O "O2'" . A D 2 9 ? -99.703 -29.963 -15.687 0.70 34.17 ? 9 A R "O2'" 1 +ATOM 3057 C "C1'" . A D 2 9 ? -99.985 -30.496 -13.375 0.70 33.89 ? 9 A R "C1'" 1 +ATOM 3058 N N9 . A D 2 9 ? -100.619 -31.517 -12.540 0.70 33.77 ? 9 A R N9 1 +ATOM 3059 C C8 . A D 2 9 ? -101.434 -31.327 -11.450 0.70 33.66 ? 9 A R C8 1 +ATOM 3060 N N7 . A D 2 9 ? -101.844 -32.440 -10.897 0.70 34.12 ? 9 A R N7 1 +ATOM 3061 C C5 . A D 2 9 ? -101.266 -33.431 -11.675 0.70 32.93 ? 9 A R C5 1 +ATOM 3062 C C6 . A D 2 9 ? -101.314 -34.828 -11.607 0.70 32.83 ? 9 A R C6 1 +ATOM 3063 N N6 . A D 2 9 ? -102.000 -35.497 -10.680 0.70 33.36 ? 9 A R N6 1 +ATOM 3064 N N1 . A D 2 9 ? -100.627 -35.526 -12.536 0.70 33.83 ? 9 A R N1 1 +ATOM 3065 C C2 . A D 2 9 ? -99.938 -34.851 -13.463 0.70 33.13 ? 9 A R C2 1 +ATOM 3066 N N3 . A D 2 9 ? -99.814 -33.541 -13.630 0.70 33.76 ? 9 A R N3 1 +ATOM 3067 C C4 . A D 2 9 ? -100.511 -32.878 -12.691 0.70 33.19 ? 9 A R C4 1 +ATOM 3068 P P . U D 2 10 ? -103.219 -28.530 -16.348 0.70 35.27 ? 10 U R P 1 +ATOM 3069 O OP1 . U D 2 10 ? -103.450 -27.313 -17.169 0.70 35.44 ? 10 U R OP1 1 +ATOM 3070 O OP2 . U D 2 10 ? -104.275 -29.002 -15.417 0.70 33.92 ? 10 U R OP2 1 +ATOM 3071 O "O5'" . U D 2 10 ? -102.824 -29.728 -17.315 0.70 34.99 ? 10 U R "O5'" 1 +ATOM 3072 C "C5'" . U D 2 10 ? -103.651 -30.091 -18.415 0.70 37.61 ? 10 U R "C5'" 1 +ATOM 3073 C "C4'" . U D 2 10 ? -102.802 -30.661 -19.526 0.70 39.39 ? 10 U R "C4'" 1 +ATOM 3074 O "O4'" . U D 2 10 ? -101.956 -29.607 -20.059 0.70 41.77 ? 10 U R "O4'" 1 +ATOM 3075 C "C3'" . U D 2 10 ? -101.858 -31.782 -19.105 0.70 39.79 ? 10 U R "C3'" 1 +ATOM 3076 O "O3'" . U D 2 10 ? -101.656 -32.661 -20.199 0.70 38.08 ? 10 U R "O3'" 1 +ATOM 3077 C "C2'" . U D 2 10 ? -100.563 -31.035 -18.822 0.70 41.57 ? 10 U R "C2'" 1 +ATOM 3078 O "O2'" . U D 2 10 ? -99.415 -31.845 -18.952 0.70 41.08 ? 10 U R "O2'" 1 +ATOM 3079 C "C1'" . U D 2 10 ? -100.597 -29.971 -19.914 0.70 44.39 ? 10 U R "C1'" 1 +ATOM 3080 N N1 . U D 2 10 ? -99.824 -28.763 -19.593 0.70 49.69 ? 10 U R N1 1 +ATOM 3081 C C2 . U D 2 10 ? -98.777 -28.419 -20.445 0.70 51.85 ? 10 U R C2 1 +ATOM 3082 O O2 . U D 2 10 ? -98.479 -29.065 -21.443 0.70 50.94 ? 10 U R O2 1 +ATOM 3083 N N3 . U D 2 10 ? -98.086 -27.288 -20.081 0.70 53.90 ? 10 U R N3 1 +ATOM 3084 C C4 . U D 2 10 ? -98.324 -26.484 -18.982 0.70 54.88 ? 10 U R C4 1 +ATOM 3085 O O4 . U D 2 10 ? -97.579 -25.524 -18.761 0.70 56.45 ? 10 U R O4 1 +ATOM 3086 C C5 . U D 2 10 ? -99.427 -26.901 -18.158 0.70 53.73 ? 10 U R C5 1 +ATOM 3087 C C6 . U D 2 10 ? -100.120 -27.996 -18.486 0.70 51.27 ? 10 U R C6 1 +HETATM 3088 P P . PYO D 2 11 ? -102.289 -34.130 -20.159 0.70 37.47 ? 11 PYO R P 1 +HETATM 3089 O OP1 . PYO D 2 11 ? -101.564 -34.967 -21.150 0.70 39.44 ? 11 PYO R OP1 1 +HETATM 3090 O OP2 . PYO D 2 11 ? -103.757 -33.974 -20.267 0.70 37.21 ? 11 PYO R OP2 1 +HETATM 3091 O "O5'" . PYO D 2 11 ? -101.947 -34.656 -18.698 0.70 34.75 ? 11 PYO R "O5'" 1 +HETATM 3092 C "C5'" . PYO D 2 11 ? -100.684 -35.236 -18.404 0.70 32.66 ? 11 PYO R "C5'" 1 +HETATM 3093 C "C4'" . PYO D 2 11 ? -100.818 -36.206 -17.257 0.70 31.85 ? 11 PYO R "C4'" 1 +HETATM 3094 O "O4'" . PYO D 2 11 ? -101.156 -35.478 -16.046 0.70 30.63 ? 11 PYO R "O4'" 1 +HETATM 3095 C "C3'" . PYO D 2 11 ? -101.895 -37.271 -17.420 0.70 31.11 ? 11 PYO R "C3'" 1 +HETATM 3096 C "C1'" . PYO D 2 11 ? -102.387 -35.944 -15.535 0.70 29.05 ? 11 PYO R "C1'" 1 +HETATM 3097 O "O3'" . PYO D 2 11 ? -101.471 -38.435 -16.726 0.70 33.91 ? 11 PYO R "O3'" 1 +HETATM 3098 C "C2'" . PYO D 2 11 ? -103.086 -36.641 -16.702 0.70 30.50 ? 11 PYO R "C2'" 1 +HETATM 3099 O "O2'" . PYO D 2 11 ? -104.023 -37.592 -16.241 0.70 29.17 ? 11 PYO R "O2'" 1 +HETATM 3100 N N1 . PYO D 2 11 ? -103.109 -34.800 -14.955 0.70 28.34 ? 11 PYO R N1 1 +HETATM 3101 C C6 . PYO D 2 11 ? -103.020 -33.596 -15.503 0.70 27.83 ? 11 PYO R C6 1 +HETATM 3102 C C2 . PYO D 2 11 ? -103.866 -35.037 -13.809 0.70 28.26 ? 11 PYO R C2 1 +HETATM 3103 C C5 . PYO D 2 11 ? -103.662 -32.566 -14.927 0.70 28.72 ? 11 PYO R C5 1 +HETATM 3104 O O2 . PYO D 2 11 ? -103.970 -36.192 -13.314 0.70 30.04 ? 11 PYO R O2 1 +HETATM 3105 N N3 . PYO D 2 11 ? -104.505 -33.981 -13.231 0.70 28.40 ? 11 PYO R N3 1 +HETATM 3106 C C4 . PYO D 2 11 ? -104.392 -32.790 -13.787 0.70 28.63 ? 11 PYO R C4 1 +ATOM 3107 P P . A D 2 12 ? -100.844 -39.670 -17.537 0.70 35.70 ? 12 A R P 1 +ATOM 3108 O OP1 . A D 2 12 ? -99.709 -39.180 -18.355 0.70 34.91 ? 12 A R OP1 1 +ATOM 3109 O OP2 . A D 2 12 ? -101.962 -40.396 -18.190 0.70 35.65 ? 12 A R OP2 1 +ATOM 3110 O "O5'" . A D 2 12 ? -100.263 -40.600 -16.384 0.70 34.48 ? 12 A R "O5'" 1 +ATOM 3111 C "C5'" . A D 2 12 ? -99.262 -40.122 -15.492 0.70 31.60 ? 12 A R "C5'" 1 +ATOM 3112 C "C4'" . A D 2 12 ? -98.454 -41.280 -14.960 0.70 31.72 ? 12 A R "C4'" 1 +ATOM 3113 O "O4'" . A D 2 12 ? -99.297 -42.107 -14.114 0.70 30.47 ? 12 A R "O4'" 1 +ATOM 3114 C "C3'" . A D 2 12 ? -97.884 -42.214 -16.019 0.70 31.98 ? 12 A R "C3'" 1 +ATOM 3115 O "O3'" . A D 2 12 ? -96.665 -42.754 -15.529 0.70 37.09 ? 12 A R "O3'" 1 +ATOM 3116 C "C2'" . A D 2 12 ? -98.940 -43.309 -16.097 0.70 29.91 ? 12 A R "C2'" 1 +ATOM 3117 O "O2'" . A D 2 12 ? -98.451 -44.546 -16.563 0.70 30.60 ? 12 A R "O2'" 1 +ATOM 3118 C "C1'" . A D 2 12 ? -99.353 -43.421 -14.633 0.70 28.23 ? 12 A R "C1'" 1 +ATOM 3119 N N9 . A D 2 12 ? -100.708 -43.927 -14.423 0.70 25.53 ? 12 A R N9 1 +ATOM 3120 C C8 . A D 2 12 ? -101.857 -43.576 -15.085 0.70 23.97 ? 12 A R C8 1 +ATOM 3121 N N7 . A D 2 12 ? -102.928 -44.166 -14.630 0.70 22.87 ? 12 A R N7 1 +ATOM 3122 C C5 . A D 2 12 ? -102.453 -44.968 -13.603 0.70 21.82 ? 12 A R C5 1 +ATOM 3123 C C6 . A D 2 12 ? -103.096 -45.834 -12.714 0.70 20.96 ? 12 A R C6 1 +ATOM 3124 N N6 . A D 2 12 ? -104.411 -46.040 -12.704 0.70 19.72 ? 12 A R N6 1 +ATOM 3125 N N1 . A D 2 12 ? -102.331 -46.490 -11.815 0.70 21.23 ? 12 A R N1 1 +ATOM 3126 C C2 . A D 2 12 ? -101.016 -46.275 -11.819 0.70 20.03 ? 12 A R C2 1 +ATOM 3127 N N3 . A D 2 12 ? -100.296 -45.481 -12.598 0.70 20.20 ? 12 A R N3 1 +ATOM 3128 C C4 . A D 2 12 ? -101.085 -44.846 -13.480 0.70 22.78 ? 12 A R C4 1 +ATOM 3129 P P . C D 2 13 ? -95.278 -42.350 -16.226 0.70 39.83 ? 13 C R P 1 +ATOM 3130 O OP1 . C D 2 13 ? -95.395 -42.600 -17.690 0.70 36.11 ? 13 C R OP1 1 +ATOM 3131 O OP2 . C D 2 13 ? -94.220 -43.044 -15.440 0.70 38.54 ? 13 C R OP2 1 +ATOM 3132 O "O5'" . C D 2 13 ? -95.164 -40.777 -15.978 0.70 37.99 ? 13 C R "O5'" 1 +ATOM 3133 C "C5'" . C D 2 13 ? -94.536 -40.261 -14.808 0.70 38.93 ? 13 C R "C5'" 1 +ATOM 3134 C "C4'" . C D 2 13 ? -94.509 -38.753 -14.853 0.70 41.47 ? 13 C R "C4'" 1 +ATOM 3135 O "O4'" . C D 2 13 ? -95.866 -38.239 -14.757 0.70 41.54 ? 13 C R "O4'" 1 +ATOM 3136 C "C3'" . C D 2 13 ? -93.789 -38.079 -13.697 0.70 43.15 ? 13 C R "C3'" 1 +ATOM 3137 O "O3'" . C D 2 13 ? -92.381 -38.034 -13.912 0.70 46.67 ? 13 C R "O3'" 1 +ATOM 3138 C "C2'" . C D 2 13 ? -94.407 -36.689 -13.701 0.70 42.28 ? 13 C R "C2'" 1 +ATOM 3139 O "O2'" . C D 2 13 ? -93.875 -35.863 -14.720 0.70 41.09 ? 13 C R "O2'" 1 +ATOM 3140 C "C1'" . C D 2 13 ? -95.865 -37.017 -14.028 0.70 41.15 ? 13 C R "C1'" 1 +ATOM 3141 N N1 . C D 2 13 ? -96.720 -37.167 -12.827 0.70 40.09 ? 13 C R N1 1 +ATOM 3142 C C2 . C D 2 13 ? -97.082 -36.015 -12.098 0.70 39.55 ? 13 C R C2 1 +ATOM 3143 O O2 . C D 2 13 ? -96.670 -34.904 -12.469 0.70 40.24 ? 13 C R O2 1 +ATOM 3144 N N3 . C D 2 13 ? -97.870 -36.144 -11.009 0.70 38.54 ? 13 C R N3 1 +ATOM 3145 C C4 . C D 2 13 ? -98.295 -37.351 -10.633 0.70 38.76 ? 13 C R C4 1 +ATOM 3146 N N4 . C D 2 13 ? -99.073 -37.424 -9.557 0.70 38.79 ? 13 C R N4 1 +ATOM 3147 C C5 . C D 2 13 ? -97.942 -38.533 -11.345 0.70 38.74 ? 13 C R C5 1 +ATOM 3148 C C6 . C D 2 13 ? -97.161 -38.398 -12.423 0.70 40.13 ? 13 C R C6 1 +ATOM 3149 P P . C D 2 14 ? -91.379 -38.024 -12.653 0.70 50.23 ? 14 C R P 1 +ATOM 3150 O OP1 . C D 2 14 ? -89.996 -38.060 -13.203 0.70 50.20 ? 14 C R OP1 1 +ATOM 3151 O OP2 . C D 2 14 ? -91.826 -39.086 -11.707 0.70 48.41 ? 14 C R OP2 1 +ATOM 3152 O "O5'" . C D 2 14 ? -91.619 -36.605 -11.954 0.70 49.55 ? 14 C R "O5'" 1 +ATOM 3153 C "C5'" . C D 2 14 ? -91.244 -35.399 -12.611 0.70 49.38 ? 14 C R "C5'" 1 +ATOM 3154 C "C4'" . C D 2 14 ? -91.747 -34.190 -11.853 0.70 50.33 ? 14 C R "C4'" 1 +ATOM 3155 O "O4'" . C D 2 14 ? -93.198 -34.225 -11.762 0.70 50.27 ? 14 C R "O4'" 1 +ATOM 3156 C "C3'" . C D 2 14 ? -91.319 -34.041 -10.403 0.70 51.36 ? 14 C R "C3'" 1 +ATOM 3157 O "O3'" . C D 2 14 ? -89.998 -33.535 -10.266 0.70 53.22 ? 14 C R "O3'" 1 +ATOM 3158 C "C2'" . C D 2 14 ? -92.349 -33.048 -9.878 0.70 50.84 ? 14 C R "C2'" 1 +ATOM 3159 O "O2'" . C D 2 14 ? -92.079 -31.708 -10.248 0.70 50.21 ? 14 C R "O2'" 1 +ATOM 3160 C "C1'" . C D 2 14 ? -93.614 -33.529 -10.591 0.70 49.66 ? 14 C R "C1'" 1 +ATOM 3161 N N1 . C D 2 14 ? -94.410 -34.429 -9.733 0.70 47.26 ? 14 C R N1 1 +ATOM 3162 C C2 . C D 2 14 ? -95.185 -33.863 -8.704 0.70 46.22 ? 14 C R C2 1 +ATOM 3163 O O2 . C D 2 14 ? -95.198 -32.627 -8.566 0.70 46.02 ? 14 C R O2 1 +ATOM 3164 N N3 . C D 2 14 ? -95.896 -34.676 -7.890 0.70 45.05 ? 14 C R N3 1 +ATOM 3165 C C4 . C D 2 14 ? -95.859 -35.997 -8.068 0.70 45.27 ? 14 C R C4 1 +ATOM 3166 N N4 . C D 2 14 ? -96.572 -36.760 -7.238 0.70 44.14 ? 14 C R N4 1 +ATOM 3167 C C5 . C D 2 14 ? -95.089 -36.597 -9.108 0.70 45.91 ? 14 C R C5 1 +ATOM 3168 C C6 . C D 2 14 ? -94.387 -35.786 -9.911 0.70 46.54 ? 14 C R C6 1 +ATOM 3169 P P . C D 2 15 ? -89.221 -33.710 -8.863 0.70 55.05 ? 15 C R P 1 +ATOM 3170 O OP1 . C D 2 15 ? -87.833 -33.210 -9.074 0.70 55.23 ? 15 C R OP1 1 +ATOM 3171 O OP2 . C D 2 15 ? -89.437 -35.107 -8.388 0.70 54.00 ? 15 C R OP2 1 +ATOM 3172 O "O5'" . C D 2 15 ? -89.974 -32.731 -7.846 0.70 54.85 ? 15 C R "O5'" 1 +ATOM 3173 C "C5'" . C D 2 15 ? -89.920 -31.311 -8.017 0.70 56.06 ? 15 C R "C5'" 1 +ATOM 3174 C "C4'" . C D 2 15 ? -90.676 -30.604 -6.907 0.70 57.05 ? 15 C R "C4'" 1 +ATOM 3175 O "O4'" . C D 2 15 ? -92.083 -30.979 -6.951 0.70 56.34 ? 15 C R "O4'" 1 +ATOM 3176 C "C3'" . C D 2 15 ? -90.257 -30.927 -5.479 0.70 57.96 ? 15 C R "C3'" 1 +ATOM 3177 O "O3'" . C D 2 15 ? -89.101 -30.193 -5.077 0.70 60.52 ? 15 C R "O3'" 1 +ATOM 3178 C "C2'" . C D 2 15 ? -91.498 -30.534 -4.683 0.70 56.75 ? 15 C R "C2'" 1 +ATOM 3179 O "O2'" . C D 2 15 ? -91.612 -29.141 -4.460 0.70 55.25 ? 15 C R "O2'" 1 +ATOM 3180 C "C1'" . C D 2 15 ? -92.614 -30.983 -5.630 0.70 55.05 ? 15 C R "C1'" 1 +ATOM 3181 N N1 . C D 2 15 ? -93.134 -32.333 -5.318 0.70 52.99 ? 15 C R N1 1 +ATOM 3182 C C2 . C D 2 15 ? -94.021 -32.479 -4.235 0.70 52.37 ? 15 C R C2 1 +ATOM 3183 O O2 . C D 2 15 ? -94.344 -31.473 -3.573 0.70 52.76 ? 15 C R O2 1 +ATOM 3184 N N3 . C D 2 15 ? -94.501 -33.707 -3.935 0.70 51.15 ? 15 C R N3 1 +ATOM 3185 C C4 . C D 2 15 ? -94.133 -34.765 -4.662 0.70 50.37 ? 15 C R C4 1 +ATOM 3186 N N4 . C D 2 15 ? -94.629 -35.957 -4.323 0.70 49.66 ? 15 C R N4 1 +ATOM 3187 C C5 . C D 2 15 ? -93.238 -34.647 -5.766 0.70 50.39 ? 15 C R C5 1 +ATOM 3188 C C6 . C D 2 15 ? -92.767 -33.426 -6.056 0.70 51.64 ? 15 C R C6 1 +ATOM 3189 P P . A D 2 16 ? -88.158 -30.768 -3.896 0.70 62.60 ? 16 A R P 1 +ATOM 3190 O OP1 . A D 2 16 ? -86.969 -29.869 -3.814 0.70 63.13 ? 16 A R OP1 1 +ATOM 3191 O OP2 . A D 2 16 ? -87.962 -32.236 -4.105 0.70 61.59 ? 16 A R OP2 1 +ATOM 3192 O "O5'" . A D 2 16 ? -89.024 -30.579 -2.570 0.70 61.89 ? 16 A R "O5'" 1 +ATOM 3193 C "C5'" . A D 2 16 ? -89.305 -29.277 -2.065 0.70 62.77 ? 16 A R "C5'" 1 +ATOM 3194 C "C4'" . A D 2 16 ? -90.183 -29.373 -0.841 0.70 64.31 ? 16 A R "C4'" 1 +ATOM 3195 O "O4'" . A D 2 16 ? -91.461 -29.963 -1.209 0.70 63.20 ? 16 A R "O4'" 1 +ATOM 3196 C "C3'" . A D 2 16 ? -89.666 -30.275 0.268 0.70 66.28 ? 16 A R "C3'" 1 +ATOM 3197 O "O3'" . A D 2 16 ? -88.704 -29.600 1.081 0.70 70.67 ? 16 A R "O3'" 1 +ATOM 3198 C "C2'" . A D 2 16 ? -90.948 -30.621 1.022 0.70 64.48 ? 16 A R "C2'" 1 +ATOM 3199 O "O2'" . A D 2 16 ? -91.375 -29.575 1.877 0.70 64.70 ? 16 A R "O2'" 1 +ATOM 3200 C "C1'" . A D 2 16 ? -91.943 -30.757 -0.135 0.70 61.65 ? 16 A R "C1'" 1 +ATOM 3201 N N9 . A D 2 16 ? -92.102 -32.134 -0.610 0.70 57.82 ? 16 A R N9 1 +ATOM 3202 C C8 . A D 2 16 ? -91.472 -32.754 -1.666 0.70 56.36 ? 16 A R C8 1 +ATOM 3203 N N7 . A D 2 16 ? -91.833 -34.007 -1.835 0.70 54.80 ? 16 A R N7 1 +ATOM 3204 C C5 . A D 2 16 ? -92.763 -34.227 -0.826 0.70 53.98 ? 16 A R C5 1 +ATOM 3205 C C6 . A D 2 16 ? -93.516 -35.358 -0.463 0.70 52.86 ? 16 A R C6 1 +ATOM 3206 N N6 . A D 2 16 ? -93.457 -36.523 -1.109 0.70 51.97 ? 16 A R N6 1 +ATOM 3207 N N1 . A D 2 16 ? -94.346 -35.249 0.599 0.70 52.72 ? 16 A R N1 1 +ATOM 3208 C C2 . A D 2 16 ? -94.413 -34.072 1.242 0.70 53.36 ? 16 A R C2 1 +ATOM 3209 N N3 . A D 2 16 ? -93.759 -32.936 0.996 0.70 53.88 ? 16 A R N3 1 +ATOM 3210 C C4 . A D 2 16 ? -92.938 -33.082 -0.063 0.70 55.49 ? 16 A R C4 1 +ATOM 3211 P P . U D 2 17 ? -87.561 -30.445 1.847 0.70 73.05 ? 17 U R P 1 +ATOM 3212 O OP1 . U D 2 17 ? -86.622 -29.445 2.444 0.70 73.13 ? 17 U R OP1 1 +ATOM 3213 O OP2 . U D 2 17 ? -87.028 -31.490 0.912 0.70 72.04 ? 17 U R OP2 1 +ATOM 3214 O "O5'" . U D 2 17 ? -88.352 -31.179 3.028 0.70 73.57 ? 17 U R "O5'" 1 +ATOM 3215 C "C5'" . U D 2 17 ? -89.024 -30.424 4.039 0.70 75.75 ? 17 U R "C5'" 1 +ATOM 3216 C "C4'" . U D 2 17 ? -89.942 -31.315 4.851 0.70 78.19 ? 17 U R "C4'" 1 +ATOM 3217 O "O4'" . U D 2 17 ? -91.012 -31.830 4.008 0.70 77.21 ? 17 U R "O4'" 1 +ATOM 3218 C "C3'" . U D 2 17 ? -89.304 -32.567 5.441 0.70 80.12 ? 17 U R "C3'" 1 +ATOM 3219 O "O3'" . U D 2 17 ? -88.594 -32.297 6.651 0.70 84.93 ? 17 U R "O3'" 1 +ATOM 3220 C "C2'" . U D 2 17 ? -90.514 -33.466 5.668 0.70 78.72 ? 17 U R "C2'" 1 +ATOM 3221 O "O2'" . U D 2 17 ? -91.240 -33.144 6.842 0.70 78.07 ? 17 U R "O2'" 1 +ATOM 3222 C "C1'" . U D 2 17 ? -91.356 -33.148 4.427 0.70 76.42 ? 17 U R "C1'" 1 +ATOM 3223 N N1 . U D 2 17 ? -91.085 -34.086 3.322 0.70 74.19 ? 17 U R N1 1 +ATOM 3224 C C2 . U D 2 17 ? -91.657 -35.355 3.396 0.70 73.25 ? 17 U R C2 1 +ATOM 3225 O O2 . U D 2 17 ? -92.385 -35.707 4.317 0.70 72.26 ? 17 U R O2 1 +ATOM 3226 N N3 . U D 2 17 ? -91.343 -36.197 2.352 0.70 72.58 ? 17 U R N3 1 +ATOM 3227 C C4 . U D 2 17 ? -90.538 -35.909 1.262 0.70 72.75 ? 17 U R C4 1 +ATOM 3228 O O4 . U D 2 17 ? -90.323 -36.788 0.419 0.70 72.08 ? 17 U R O4 1 +ATOM 3229 C C5 . U D 2 17 ? -89.998 -34.575 1.251 0.70 72.84 ? 17 U R C5 1 +ATOM 3230 C C6 . U D 2 17 ? -90.282 -33.731 2.253 0.70 73.31 ? 17 U R C6 1 +ATOM 3231 P P . G D 2 18 ? -87.373 -33.261 7.097 0.70 88.24 ? 18 G R P 1 +ATOM 3232 O OP1 . G D 2 18 ? -86.855 -32.752 8.413 0.70 87.69 ? 18 G R OP1 1 +ATOM 3233 O OP2 . G D 2 18 ? -86.434 -33.378 5.921 0.70 87.07 ? 18 G R OP2 1 +ATOM 3234 O "O5'" . G D 2 18 ? -88.068 -34.687 7.334 0.70 87.40 ? 18 G R "O5'" 1 +ATOM 3235 C "C5'" . G D 2 18 ? -89.059 -34.862 8.355 0.70 87.26 ? 18 G R "C5'" 1 +ATOM 3236 C "C4'" . G D 2 18 ? -89.586 -36.284 8.344 0.70 87.29 ? 18 G R "C4'" 1 +ATOM 3237 O "O4'" . G D 2 18 ? -90.311 -36.541 7.107 0.70 86.54 ? 18 G R "O4'" 1 +ATOM 3238 C "C3'" . G D 2 18 ? -88.532 -37.384 8.388 0.70 87.60 ? 18 G R "C3'" 1 +ATOM 3239 O "O3'" . G D 2 18 ? -87.971 -37.571 9.709 0.70 87.47 ? 18 G R "O3'" 1 +ATOM 3240 C "C2'" . G D 2 18 ? -89.285 -38.584 7.811 0.70 87.25 ? 18 G R "C2'" 1 +ATOM 3241 O "O2'" . G D 2 18 ? -90.116 -39.244 8.753 0.70 88.20 ? 18 G R "O2'" 1 +ATOM 3242 C "C1'" . G D 2 18 ? -90.163 -37.912 6.749 0.70 85.51 ? 18 G R "C1'" 1 +ATOM 3243 N N9 . G D 2 18 ? -89.632 -37.997 5.390 0.70 83.00 ? 18 G R N9 1 +ATOM 3244 C C8 . G D 2 18 ? -88.884 -37.054 4.715 0.70 81.96 ? 18 G R C8 1 +ATOM 3245 N N7 . G D 2 18 ? -88.582 -37.415 3.494 0.70 80.81 ? 18 G R N7 1 +ATOM 3246 C C5 . G D 2 18 ? -89.159 -38.675 3.354 0.70 80.88 ? 18 G R C5 1 +ATOM 3247 C C6 . G D 2 18 ? -89.174 -39.566 2.240 0.70 80.42 ? 18 G R C6 1 +ATOM 3248 O O6 . G D 2 18 ? -88.673 -39.407 1.114 0.70 80.42 ? 18 G R O6 1 +ATOM 3249 N N1 . G D 2 18 ? -89.865 -40.743 2.534 0.70 79.69 ? 18 G R N1 1 +ATOM 3250 C C2 . G D 2 18 ? -90.469 -41.027 3.737 0.70 79.57 ? 18 G R C2 1 +ATOM 3251 N N2 . G D 2 18 ? -91.088 -42.225 3.822 0.70 78.54 ? 18 G R N2 1 +ATOM 3252 N N3 . G D 2 18 ? -90.470 -40.202 4.780 0.70 79.89 ? 18 G R N3 1 +ATOM 3253 C C4 . G D 2 18 ? -89.801 -39.054 4.519 0.70 81.43 ? 18 G R C4 1 +ATOM 3254 O "O5'" . C E 2 2 ? -87.514 -43.417 -26.505 0.45 72.57 ? 2 C S "O5'" 1 +ATOM 3255 C "C5'" . C E 2 2 ? -86.797 -42.224 -26.173 0.45 73.15 ? 2 C S "C5'" 1 +ATOM 3256 C "C4'" . C E 2 2 ? -87.486 -40.978 -26.683 0.45 74.17 ? 2 C S "C4'" 1 +ATOM 3257 O "O4'" . C E 2 2 ? -86.688 -39.807 -26.346 0.45 73.86 ? 2 C S "O4'" 1 +ATOM 3258 C "C3'" . C E 2 2 ? -87.706 -40.904 -28.190 0.45 75.12 ? 2 C S "C3'" 1 +ATOM 3259 O "O3'" . C E 2 2 ? -87.375 -41.994 -29.047 0.45 77.49 ? 2 C S "O3'" 1 +ATOM 3260 C "C2'" . C E 2 2 ? -87.476 -39.441 -28.555 0.45 74.52 ? 2 C S "C2'" 1 +ATOM 3261 O "O2'" . C E 2 2 ? -88.633 -38.647 -28.371 0.45 73.90 ? 2 C S "O2'" 1 +ATOM 3262 C "C1'" . C E 2 2 ? -86.429 -39.040 -27.514 0.45 73.65 ? 2 C S "C1'" 1 +ATOM 3263 N N1 . C E 2 2 ? -85.016 -39.234 -27.912 0.45 73.07 ? 2 C S N1 1 +ATOM 3264 C C2 . C E 2 2 ? -84.406 -38.284 -28.759 0.45 72.99 ? 2 C S C2 1 +ATOM 3265 O O2 . C E 2 2 ? -85.083 -37.330 -29.195 0.45 72.21 ? 2 C S O2 1 +ATOM 3266 N N3 . C E 2 2 ? -83.097 -38.436 -29.085 0.45 72.87 ? 2 C S N3 1 +ATOM 3267 C C4 . C E 2 2 ? -82.406 -39.485 -28.618 0.45 72.61 ? 2 C S C4 1 +ATOM 3268 N N4 . C E 2 2 ? -81.118 -39.592 -28.964 0.45 71.89 ? 2 C S N4 1 +ATOM 3269 C C5 . C E 2 2 ? -83.006 -40.470 -27.776 0.45 72.54 ? 2 C S C5 1 +ATOM 3270 C C6 . C E 2 2 ? -84.298 -40.308 -27.452 0.45 72.85 ? 2 C S C6 1 +ATOM 3271 P P . A E 2 3 ? -88.165 -42.184 -30.447 0.45 78.67 ? 3 A S P 1 +ATOM 3272 O OP1 . A E 2 3 ? -89.615 -41.937 -30.187 0.45 78.97 ? 3 A S OP1 1 +ATOM 3273 O OP2 . A E 2 3 ? -87.739 -43.492 -31.028 0.45 78.15 ? 3 A S OP2 1 +ATOM 3274 O "O5'" . A E 2 3 ? -87.607 -41.010 -31.382 0.45 78.54 ? 3 A S "O5'" 1 +ATOM 3275 C "C5'" . A E 2 3 ? -88.483 -40.017 -31.924 0.45 77.80 ? 3 A S "C5'" 1 +ATOM 3276 C "C4'" . A E 2 3 ? -87.739 -39.120 -32.895 0.45 77.58 ? 3 A S "C4'" 1 +ATOM 3277 O "O4'" . A E 2 3 ? -86.614 -38.505 -32.209 0.45 77.50 ? 3 A S "O4'" 1 +ATOM 3278 C "C3'" . A E 2 3 ? -87.100 -39.793 -34.102 0.45 77.47 ? 3 A S "C3'" 1 +ATOM 3279 O "O3'" . A E 2 3 ? -88.031 -40.034 -35.156 0.45 77.89 ? 3 A S "O3'" 1 +ATOM 3280 C "C2'" . A E 2 3 ? -86.028 -38.782 -34.495 0.45 77.51 ? 3 A S "C2'" 1 +ATOM 3281 O "O2'" . A E 2 3 ? -86.534 -37.662 -35.199 0.45 76.69 ? 3 A S "O2'" 1 +ATOM 3282 C "C1'" . A E 2 3 ? -85.537 -38.329 -33.119 0.45 77.26 ? 3 A S "C1'" 1 +ATOM 3283 N N9 . A E 2 3 ? -84.396 -39.120 -32.647 0.45 77.24 ? 3 A S N9 1 +ATOM 3284 C C8 . A E 2 3 ? -84.366 -40.062 -31.644 0.45 77.23 ? 3 A S C8 1 +ATOM 3285 N N7 . A E 2 3 ? -83.184 -40.603 -31.461 0.45 77.34 ? 3 A S N7 1 +ATOM 3286 C C5 . A E 2 3 ? -82.381 -39.976 -32.405 0.45 77.29 ? 3 A S C5 1 +ATOM 3287 C C6 . A E 2 3 ? -81.015 -40.108 -32.723 0.45 77.49 ? 3 A S C6 1 +ATOM 3288 N N6 . A E 2 3 ? -80.184 -40.944 -32.092 0.45 77.23 ? 3 A S N6 1 +ATOM 3289 N N1 . A E 2 3 ? -80.525 -39.338 -33.723 0.45 77.31 ? 3 A S N1 1 +ATOM 3290 C C2 . A E 2 3 ? -81.360 -38.494 -34.351 0.45 77.23 ? 3 A S C2 1 +ATOM 3291 N N3 . A E 2 3 ? -82.659 -38.279 -34.140 0.45 76.85 ? 3 A S N3 1 +ATOM 3292 C C4 . A E 2 3 ? -83.114 -39.061 -33.143 0.45 77.06 ? 3 A S C4 1 +ATOM 3293 P P . U E 2 4 ? -87.858 -41.334 -36.097 0.45 77.71 ? 4 U S P 1 +ATOM 3294 O OP1 . U E 2 4 ? -89.089 -41.483 -36.927 0.45 77.62 ? 4 U S OP1 1 +ATOM 3295 O OP2 . U E 2 4 ? -87.423 -42.464 -35.220 0.45 77.39 ? 4 U S OP2 1 +ATOM 3296 O "O5'" . U E 2 4 ? -86.633 -40.970 -37.056 0.45 75.65 ? 4 U S "O5'" 1 +ATOM 3297 C "C5'" . U E 2 4 ? -86.741 -39.944 -38.044 0.45 72.70 ? 4 U S "C5'" 1 +ATOM 3298 C "C4'" . U E 2 4 ? -85.424 -39.776 -38.774 0.45 70.88 ? 4 U S "C4'" 1 +ATOM 3299 O "O4'" . U E 2 4 ? -84.390 -39.444 -37.810 0.45 70.80 ? 4 U S "O4'" 1 +ATOM 3300 C "C3'" . U E 2 4 ? -84.886 -41.011 -39.486 0.45 69.47 ? 4 U S "C3'" 1 +ATOM 3301 O "O3'" . U E 2 4 ? -85.461 -41.175 -40.781 0.45 66.84 ? 4 U S "O3'" 1 +ATOM 3302 C "C2'" . U E 2 4 ? -83.389 -40.728 -39.547 0.45 69.89 ? 4 U S "C2'" 1 +ATOM 3303 O "O2'" . U E 2 4 ? -83.025 -39.832 -40.579 0.45 69.84 ? 4 U S "O2'" 1 +ATOM 3304 C "C1'" . U E 2 4 ? -83.160 -40.043 -38.199 0.45 70.42 ? 4 U S "C1'" 1 +ATOM 3305 N N1 . U E 2 4 ? -82.725 -40.961 -37.132 0.45 70.28 ? 4 U S N1 1 +ATOM 3306 C C2 . U E 2 4 ? -81.360 -41.168 -36.962 0.45 70.24 ? 4 U S C2 1 +ATOM 3307 O O2 . U E 2 4 ? -80.507 -40.635 -37.660 0.45 70.05 ? 4 U S O2 1 +ATOM 3308 N N3 . U E 2 4 ? -81.031 -42.024 -35.940 0.45 70.71 ? 4 U S N3 1 +ATOM 3309 C C4 . U E 2 4 ? -81.898 -42.683 -35.091 0.45 71.18 ? 4 U S C4 1 +ATOM 3310 O O4 . U E 2 4 ? -81.446 -43.422 -34.214 0.45 72.04 ? 4 U S O4 1 +ATOM 3311 C C5 . U E 2 4 ? -83.281 -42.423 -35.334 0.45 70.96 ? 4 U S C5 1 +ATOM 3312 C C6 . U E 2 4 ? -83.640 -41.594 -36.318 0.45 70.55 ? 4 U S C6 1 +ATOM 3313 P P . G E 2 5 ? -85.711 -42.655 -41.365 0.45 64.82 ? 5 G S P 1 +ATOM 3314 O OP1 . G E 2 5 ? -86.470 -42.523 -42.643 0.45 63.75 ? 5 G S OP1 1 +ATOM 3315 O OP2 . G E 2 5 ? -86.278 -43.477 -40.259 0.45 64.17 ? 5 G S OP2 1 +ATOM 3316 O "O5'" . G E 2 5 ? -84.242 -43.199 -41.683 0.45 61.69 ? 5 G S "O5'" 1 +ATOM 3317 C "C5'" . G E 2 5 ? -83.462 -42.636 -42.741 0.45 57.24 ? 5 G S "C5'" 1 +ATOM 3318 C "C4'" . G E 2 5 ? -82.080 -43.261 -42.790 0.45 54.09 ? 5 G S "C4'" 1 +ATOM 3319 O "O4'" . G E 2 5 ? -81.333 -42.932 -41.591 0.45 53.76 ? 5 G S "O4'" 1 +ATOM 3320 C "C3'" . G E 2 5 ? -82.008 -44.778 -42.848 0.45 51.74 ? 5 G S "C3'" 1 +ATOM 3321 O "O3'" . G E 2 5 ? -82.223 -45.261 -44.165 0.45 47.99 ? 5 G S "O3'" 1 +ATOM 3322 C "C2'" . G E 2 5 ? -80.579 -45.045 -42.391 0.45 51.98 ? 5 G S "C2'" 1 +ATOM 3323 O "O2'" . G E 2 5 ? -79.620 -44.842 -43.412 0.45 51.33 ? 5 G S "O2'" 1 +ATOM 3324 C "C1'" . G E 2 5 ? -80.402 -43.971 -41.315 0.45 52.50 ? 5 G S "C1'" 1 +ATOM 3325 N N9 . G E 2 5 ? -80.644 -44.480 -39.968 0.45 52.66 ? 5 G S N9 1 +ATOM 3326 C C8 . G E 2 5 ? -81.844 -44.542 -39.297 0.45 52.58 ? 5 G S C8 1 +ATOM 3327 N N7 . G E 2 5 ? -81.739 -45.075 -38.109 0.45 52.42 ? 5 G S N7 1 +ATOM 3328 C C5 . G E 2 5 ? -80.391 -45.380 -37.985 0.45 52.62 ? 5 G S C5 1 +ATOM 3329 C C6 . G E 2 5 ? -79.678 -45.982 -36.916 0.45 52.49 ? 5 G S C6 1 +ATOM 3330 O O6 . G E 2 5 ? -80.115 -46.385 -35.832 0.45 52.79 ? 5 G S O6 1 +ATOM 3331 N N1 . G E 2 5 ? -78.322 -46.101 -37.207 0.45 52.01 ? 5 G S N1 1 +ATOM 3332 C C2 . G E 2 5 ? -77.725 -45.695 -38.375 0.45 52.04 ? 5 G S C2 1 +ATOM 3333 N N2 . G E 2 5 ? -76.400 -45.892 -38.465 0.45 51.63 ? 5 G S N2 1 +ATOM 3334 N N3 . G E 2 5 ? -78.378 -45.136 -39.383 0.45 52.17 ? 5 G S N3 1 +ATOM 3335 C C4 . G E 2 5 ? -79.698 -45.011 -39.121 0.45 52.71 ? 5 G S C4 1 +ATOM 3336 P P . A E 2 6 ? -83.590 -46.020 -44.519 0.45 44.81 ? 6 A S P 1 +ATOM 3337 O OP1 . A E 2 6 ? -84.482 -45.023 -45.158 0.45 44.49 ? 6 A S OP1 1 +ATOM 3338 O OP2 . A E 2 6 ? -84.051 -46.746 -43.309 0.45 45.16 ? 6 A S OP2 1 +ATOM 3339 O "O5'" . A E 2 6 ? -83.150 -47.086 -45.621 0.45 44.02 ? 6 A S "O5'" 1 +ATOM 3340 C "C5'" . A E 2 6 ? -82.340 -48.214 -45.279 0.45 41.91 ? 6 A S "C5'" 1 +ATOM 3341 C "C4'" . A E 2 6 ? -81.788 -48.853 -46.533 0.45 40.39 ? 6 A S "C4'" 1 +ATOM 3342 O "O4'" . A E 2 6 ? -82.890 -49.211 -47.410 0.45 40.04 ? 6 A S "O4'" 1 +ATOM 3343 C "C3'" . A E 2 6 ? -80.872 -47.960 -47.361 0.45 39.96 ? 6 A S "C3'" 1 +ATOM 3344 O "O3'" . A E 2 6 ? -79.507 -48.165 -47.015 0.45 41.12 ? 6 A S "O3'" 1 +ATOM 3345 C "C2'" . A E 2 6 ? -81.183 -48.388 -48.790 0.45 38.97 ? 6 A S "C2'" 1 +ATOM 3346 O "O2'" . A E 2 6 ? -80.531 -49.590 -49.153 0.45 37.52 ? 6 A S "O2'" 1 +ATOM 3347 C "C1'" . A E 2 6 ? -82.688 -48.642 -48.689 0.45 38.87 ? 6 A S "C1'" 1 +ATOM 3348 N N9 . A E 2 6 ? -83.534 -47.450 -48.776 0.45 38.09 ? 6 A S N9 1 +ATOM 3349 C C8 . A E 2 6 ? -83.173 -46.124 -48.715 0.45 37.54 ? 6 A S C8 1 +ATOM 3350 N N7 . A E 2 6 ? -84.186 -45.296 -48.791 0.45 37.48 ? 6 A S N7 1 +ATOM 3351 C C5 . A E 2 6 ? -85.290 -46.128 -48.915 0.45 36.30 ? 6 A S C5 1 +ATOM 3352 C C6 . A E 2 6 ? -86.665 -45.863 -49.032 0.45 35.61 ? 6 A S C6 1 +ATOM 3353 N N6 . A E 2 6 ? -87.188 -44.633 -49.034 0.45 34.94 ? 6 A S N6 1 +ATOM 3354 N N1 . A E 2 6 ? -87.500 -46.918 -49.145 0.45 35.74 ? 6 A S N1 1 +ATOM 3355 C C2 . A E 2 6 ? -86.980 -48.150 -49.136 0.45 35.88 ? 6 A S C2 1 +ATOM 3356 N N3 . A E 2 6 ? -85.709 -48.527 -49.028 0.45 36.46 ? 6 A S N3 1 +ATOM 3357 C C4 . A E 2 6 ? -84.904 -47.455 -48.919 0.45 36.93 ? 6 A S C4 1 +ATOM 3358 P P . G E 2 7 ? -78.732 -47.073 -46.126 0.45 42.28 ? 7 G S P 1 +ATOM 3359 O OP1 . G E 2 7 ? -79.186 -45.712 -46.510 0.45 41.51 ? 7 G S OP1 1 +ATOM 3360 O OP2 . G E 2 7 ? -77.287 -47.416 -46.196 0.45 41.09 ? 7 G S OP2 1 +ATOM 3361 O "O5'" . G E 2 7 ? -79.225 -47.368 -44.643 0.45 41.31 ? 7 G S "O5'" 1 +ATOM 3362 C "C5'" . G E 2 7 ? -79.213 -48.694 -44.132 0.45 41.86 ? 7 G S "C5'" 1 +ATOM 3363 C "C4'" . G E 2 7 ? -77.955 -48.930 -43.339 0.45 42.57 ? 7 G S "C4'" 1 +ATOM 3364 O "O4'" . G E 2 7 ? -77.910 -47.999 -42.226 0.45 42.91 ? 7 G S "O4'" 1 +ATOM 3365 C "C3'" . G E 2 7 ? -77.858 -50.300 -42.694 0.45 42.58 ? 7 G S "C3'" 1 +ATOM 3366 O "O3'" . G E 2 7 ? -77.374 -51.269 -43.622 0.45 42.87 ? 7 G S "O3'" 1 +ATOM 3367 C "C2'" . G E 2 7 ? -76.916 -50.036 -41.527 0.45 42.85 ? 7 G S "C2'" 1 +ATOM 3368 O "O2'" . G E 2 7 ? -75.556 -49.963 -41.912 0.45 42.84 ? 7 G S "O2'" 1 +ATOM 3369 C "C1'" . G E 2 7 ? -77.385 -48.649 -41.079 0.45 42.82 ? 7 G S "C1'" 1 +ATOM 3370 N N9 . G E 2 7 ? -78.439 -48.695 -40.066 0.45 43.33 ? 7 G S N9 1 +ATOM 3371 C C8 . G E 2 7 ? -79.741 -48.271 -40.205 0.45 43.34 ? 7 G S C8 1 +ATOM 3372 N N7 . G E 2 7 ? -80.456 -48.449 -39.128 0.45 43.08 ? 7 G S N7 1 +ATOM 3373 C C5 . G E 2 7 ? -79.575 -49.020 -38.222 0.45 43.13 ? 7 G S C5 1 +ATOM 3374 C C6 . G E 2 7 ? -79.782 -49.437 -36.885 0.45 43.54 ? 7 G S C6 1 +ATOM 3375 O O6 . G E 2 7 ? -80.821 -49.383 -36.211 0.45 43.27 ? 7 G S O6 1 +ATOM 3376 N N1 . G E 2 7 ? -78.619 -49.963 -36.331 0.45 43.49 ? 7 G S N1 1 +ATOM 3377 C C2 . G E 2 7 ? -77.412 -50.076 -36.980 0.45 43.57 ? 7 G S C2 1 +ATOM 3378 N N2 . G E 2 7 ? -76.407 -50.617 -36.275 0.45 44.06 ? 7 G S N2 1 +ATOM 3379 N N3 . G E 2 7 ? -77.208 -49.690 -38.228 0.45 43.45 ? 7 G S N3 1 +ATOM 3380 C C4 . G E 2 7 ? -78.324 -49.175 -38.784 0.45 43.06 ? 7 G S C4 1 +ATOM 3381 P P . G E 2 8 ? -78.166 -52.659 -43.819 0.45 42.99 ? 8 G S P 1 +ATOM 3382 O OP1 . G E 2 8 ? -77.901 -53.137 -45.201 0.45 41.45 ? 8 G S OP1 1 +ATOM 3383 O OP2 . G E 2 8 ? -79.568 -52.453 -43.370 0.45 42.69 ? 8 G S OP2 1 +ATOM 3384 O "O5'" . G E 2 8 ? -77.474 -53.664 -42.788 0.45 43.26 ? 8 G S "O5'" 1 +ATOM 3385 C "C5'" . G E 2 8 ? -76.119 -54.104 -42.975 0.45 43.95 ? 8 G S "C5'" 1 +ATOM 3386 C "C4'" . G E 2 8 ? -75.534 -54.634 -41.675 0.45 43.27 ? 8 G S "C4'" 1 +ATOM 3387 O "O4'" . G E 2 8 ? -75.474 -53.569 -40.680 0.45 44.13 ? 8 G S "O4'" 1 +ATOM 3388 C "C3'" . G E 2 8 ? -76.317 -55.734 -40.980 0.45 43.10 ? 8 G S "C3'" 1 +ATOM 3389 O "O3'" . G E 2 8 ? -76.089 -57.018 -41.551 0.45 42.64 ? 8 G S "O3'" 1 +ATOM 3390 C "C2'" . G E 2 8 ? -75.812 -55.629 -39.546 0.45 43.47 ? 8 G S "C2'" 1 +ATOM 3391 O "O2'" . G E 2 8 ? -74.548 -56.231 -39.348 0.45 43.71 ? 8 G S "O2'" 1 +ATOM 3392 C "C1'" . G E 2 8 ? -75.696 -54.111 -39.383 0.45 43.72 ? 8 G S "C1'" 1 +ATOM 3393 N N9 . G E 2 8 ? -76.919 -53.532 -38.827 0.45 43.90 ? 8 G S N9 1 +ATOM 3394 C C8 . G E 2 8 ? -77.843 -52.744 -39.473 0.45 44.27 ? 8 G S C8 1 +ATOM 3395 N N7 . G E 2 8 ? -78.864 -52.430 -38.722 0.45 43.79 ? 8 G S N7 1 +ATOM 3396 C C5 . G E 2 8 ? -78.594 -53.035 -37.503 0.45 44.43 ? 8 G S C5 1 +ATOM 3397 C C6 . G E 2 8 ? -79.351 -53.061 -36.295 0.45 45.05 ? 8 G S C6 1 +ATOM 3398 O O6 . G E 2 8 ? -80.450 -52.539 -36.059 0.45 45.09 ? 8 G S O6 1 +ATOM 3399 N N1 . G E 2 8 ? -78.704 -53.793 -35.304 0.45 44.26 ? 8 G S N1 1 +ATOM 3400 C C2 . G E 2 8 ? -77.496 -54.427 -35.451 0.45 44.58 ? 8 G S C2 1 +ATOM 3401 N N2 . G E 2 8 ? -77.039 -55.095 -34.382 0.45 44.35 ? 8 G S N2 1 +ATOM 3402 N N3 . G E 2 8 ? -76.785 -54.411 -36.566 0.45 45.00 ? 8 G S N3 1 +ATOM 3403 C C4 . G E 2 8 ? -77.390 -53.704 -37.544 0.45 44.38 ? 8 G S C4 1 +ATOM 3404 P P . A E 2 9 ? -77.185 -58.181 -41.352 0.45 43.02 ? 9 A S P 1 +ATOM 3405 O OP1 . A E 2 9 ? -76.767 -59.372 -42.127 0.45 42.84 ? 9 A S OP1 1 +ATOM 3406 O OP2 . A E 2 9 ? -78.519 -57.576 -41.605 0.45 42.27 ? 9 A S OP2 1 +ATOM 3407 O "O5'" . A E 2 9 ? -77.086 -58.538 -39.802 0.45 42.22 ? 9 A S "O5'" 1 +ATOM 3408 C "C5'" . A E 2 9 ? -75.862 -59.002 -39.234 0.45 41.61 ? 9 A S "C5'" 1 +ATOM 3409 C "C4'" . A E 2 9 ? -76.049 -59.317 -37.767 0.45 41.81 ? 9 A S "C4'" 1 +ATOM 3410 O "O4'" . A E 2 9 ? -76.438 -58.114 -37.054 0.45 41.19 ? 9 A S "O4'" 1 +ATOM 3411 C "C3'" . A E 2 9 ? -77.153 -60.309 -37.438 0.45 42.22 ? 9 A S "C3'" 1 +ATOM 3412 O "O3'" . A E 2 9 ? -76.714 -61.648 -37.607 0.45 43.18 ? 9 A S "O3'" 1 +ATOM 3413 C "C2'" . A E 2 9 ? -77.463 -59.977 -35.985 0.45 42.02 ? 9 A S "C2'" 1 +ATOM 3414 O "O2'" . A E 2 9 ? -76.536 -60.541 -35.078 0.45 41.43 ? 9 A S "O2'" 1 +ATOM 3415 C "C1'" . A E 2 9 ? -77.321 -58.453 -35.993 0.45 41.60 ? 9 A S "C1'" 1 +ATOM 3416 N N9 . A E 2 9 ? -78.590 -57.761 -36.214 0.45 41.68 ? 9 A S N9 1 +ATOM 3417 C C8 . A E 2 9 ? -79.079 -57.260 -37.393 0.45 41.97 ? 9 A S C8 1 +ATOM 3418 N N7 . A E 2 9 ? -80.248 -56.675 -37.275 0.45 42.24 ? 9 A S N7 1 +ATOM 3419 C C5 . A E 2 9 ? -80.548 -56.799 -35.927 0.45 41.28 ? 9 A S C5 1 +ATOM 3420 C C6 . A E 2 9 ? -81.647 -56.377 -35.162 0.45 41.33 ? 9 A S C6 1 +ATOM 3421 N N6 . A E 2 9 ? -82.680 -55.694 -35.664 0.45 40.56 ? 9 A S N6 1 +ATOM 3422 N N1 . A E 2 9 ? -81.648 -56.680 -33.846 0.45 41.89 ? 9 A S N1 1 +ATOM 3423 C C2 . A E 2 9 ? -80.605 -57.350 -33.342 0.45 42.04 ? 9 A S C2 1 +ATOM 3424 N N3 . A E 2 9 ? -79.508 -57.787 -33.955 0.45 41.97 ? 9 A S N3 1 +ATOM 3425 C C4 . A E 2 9 ? -79.541 -57.476 -35.262 0.45 41.61 ? 9 A S C4 1 +ATOM 3426 P P . U E 2 10 ? -77.792 -62.818 -37.820 0.45 44.65 ? 10 U S P 1 +ATOM 3427 O OP1 . U E 2 10 ? -77.063 -64.013 -38.317 0.45 44.25 ? 10 U S OP1 1 +ATOM 3428 O OP2 . U E 2 10 ? -78.925 -62.266 -38.614 0.45 43.27 ? 10 U S OP2 1 +ATOM 3429 O "O5'" . U E 2 10 ? -78.312 -63.129 -36.345 0.45 44.68 ? 10 U S "O5'" 1 +ATOM 3430 C "C5'" . U E 2 10 ? -79.131 -64.269 -36.091 0.45 45.94 ? 10 U S "C5'" 1 +ATOM 3431 C "C4'" . U E 2 10 ? -78.907 -64.780 -34.686 0.45 46.87 ? 10 U S "C4'" 1 +ATOM 3432 O "O4'" . U E 2 10 ? -77.508 -65.143 -34.521 0.45 47.92 ? 10 U S "O4'" 1 +ATOM 3433 C "C3'" . U E 2 10 ? -79.220 -63.811 -33.547 0.45 47.30 ? 10 U S "C3'" 1 +ATOM 3434 O "O3'" . U E 2 10 ? -79.618 -64.575 -32.419 0.45 46.94 ? 10 U S "O3'" 1 +ATOM 3435 C "C2'" . U E 2 10 ? -77.851 -63.224 -33.231 0.45 48.27 ? 10 U S "C2'" 1 +ATOM 3436 O "O2'" . U E 2 10 ? -77.765 -62.743 -31.904 0.45 48.31 ? 10 U S "O2'" 1 +ATOM 3437 C "C1'" . U E 2 10 ? -76.976 -64.459 -33.405 0.45 49.31 ? 10 U S "C1'" 1 +ATOM 3438 N N1 . U E 2 10 ? -75.544 -64.212 -33.626 0.45 51.53 ? 10 U S N1 1 +ATOM 3439 C C2 . U E 2 10 ? -74.689 -64.387 -32.542 0.45 52.12 ? 10 U S C2 1 +ATOM 3440 O O2 . U E 2 10 ? -75.081 -64.698 -31.424 0.45 51.65 ? 10 U S O2 1 +ATOM 3441 N N3 . U E 2 10 ? -73.358 -64.183 -32.815 0.45 52.82 ? 10 U S N3 1 +ATOM 3442 C C4 . U E 2 10 ? -72.803 -63.820 -34.029 0.45 53.40 ? 10 U S C4 1 +ATOM 3443 O O4 . U E 2 10 ? -71.578 -63.717 -34.127 0.45 53.15 ? 10 U S O4 1 +ATOM 3444 C C5 . U E 2 10 ? -73.750 -63.638 -35.091 0.45 53.34 ? 10 U S C5 1 +ATOM 3445 C C6 . U E 2 10 ? -75.055 -63.834 -34.859 0.45 52.42 ? 10 U S C6 1 +HETATM 3446 P P . PYO E 2 11 ? -81.138 -64.536 -31.912 0.45 47.23 ? 11 PYO S P 1 +HETATM 3447 O OP1 . PYO E 2 11 ? -81.194 -65.256 -30.612 0.45 47.77 ? 11 PYO S OP1 1 +HETATM 3448 O OP2 . PYO E 2 11 ? -82.029 -64.962 -33.020 0.45 45.20 ? 11 PYO S OP2 1 +HETATM 3449 O "O5'" . PYO E 2 11 ? -81.435 -63.003 -31.617 0.45 45.31 ? 11 PYO S "O5'" 1 +HETATM 3450 C "C5'" . PYO E 2 11 ? -82.765 -62.609 -31.348 0.45 44.27 ? 11 PYO S "C5'" 1 +HETATM 3451 C "C4'" . PYO E 2 11 ? -82.894 -61.113 -31.266 0.45 42.16 ? 11 PYO S "C4'" 1 +HETATM 3452 O "O4'" . PYO E 2 11 ? -82.188 -60.458 -32.357 0.45 40.72 ? 11 PYO S "O4'" 1 +HETATM 3453 C "C3'" . PYO E 2 11 ? -84.349 -60.697 -31.397 0.45 41.91 ? 11 PYO S "C3'" 1 +HETATM 3454 C "C1'" . PYO E 2 11 ? -83.116 -59.763 -33.176 0.45 39.98 ? 11 PYO S "C1'" 1 +HETATM 3455 O "O3'" . PYO E 2 11 ? -84.568 -59.530 -30.627 0.45 41.92 ? 11 PYO S "O3'" 1 +HETATM 3456 C "C2'" . PYO E 2 11 ? -84.471 -60.416 -32.891 0.45 41.17 ? 11 PYO S "C2'" 1 +HETATM 3457 O "O2'" . PYO E 2 11 ? -85.565 -59.578 -33.210 0.45 43.14 ? 11 PYO S "O2'" 1 +HETATM 3458 N N1 . PYO E 2 11 ? -82.653 -59.828 -34.577 0.45 38.16 ? 11 PYO S N1 1 +HETATM 3459 C C6 . PYO E 2 11 ? -81.603 -60.575 -34.908 0.45 37.54 ? 11 PYO S C6 1 +HETATM 3460 C C2 . PYO E 2 11 ? -83.349 -59.070 -35.531 0.45 37.25 ? 11 PYO S C2 1 +HETATM 3461 C C5 . PYO E 2 11 ? -81.189 -60.598 -36.186 0.45 36.55 ? 11 PYO S C5 1 +HETATM 3462 O O2 . PYO E 2 11 ? -84.356 -58.369 -35.220 0.45 36.76 ? 11 PYO S O2 1 +HETATM 3463 N N3 . PYO E 2 11 ? -82.911 -59.104 -36.824 0.45 36.48 ? 11 PYO S N3 1 +HETATM 3464 C C4 . PYO E 2 11 ? -81.861 -59.848 -37.120 0.45 35.96 ? 11 PYO S C4 1 +ATOM 3465 P P . A E 2 12 ? -84.999 -59.672 -29.090 0.45 42.18 ? 12 A S P 1 +ATOM 3466 O OP1 . A E 2 12 ? -83.834 -60.204 -28.335 0.45 41.48 ? 12 A S OP1 1 +ATOM 3467 O OP2 . A E 2 12 ? -86.295 -60.392 -29.041 0.45 41.36 ? 12 A S OP2 1 +ATOM 3468 O "O5'" . A E 2 12 ? -85.258 -58.167 -28.647 0.45 41.49 ? 12 A S "O5'" 1 +ATOM 3469 C "C5'" . A E 2 12 ? -84.224 -57.189 -28.705 0.45 39.83 ? 12 A S "C5'" 1 +ATOM 3470 C "C4'" . A E 2 12 ? -84.592 -56.024 -27.827 0.45 39.85 ? 12 A S "C4'" 1 +ATOM 3471 O "O4'" . A E 2 12 ? -85.799 -55.413 -28.356 0.45 38.12 ? 12 A S "O4'" 1 +ATOM 3472 C "C3'" . A E 2 12 ? -84.916 -56.411 -26.389 0.45 40.65 ? 12 A S "C3'" 1 +ATOM 3473 O "O3'" . A E 2 12 ? -84.583 -55.336 -25.525 0.45 45.01 ? 12 A S "O3'" 1 +ATOM 3474 C "C2'" . A E 2 12 ? -86.424 -56.637 -26.439 0.45 38.94 ? 12 A S "C2'" 1 +ATOM 3475 O "O2'" . A E 2 12 ? -87.061 -56.479 -25.188 0.45 38.02 ? 12 A S "O2'" 1 +ATOM 3476 C "C1'" . A E 2 12 ? -86.858 -55.556 -27.428 0.45 37.81 ? 12 A S "C1'" 1 +ATOM 3477 N N9 . A E 2 12 ? -88.074 -55.887 -28.177 0.45 35.81 ? 12 A S N9 1 +ATOM 3478 C C8 . A E 2 12 ? -88.368 -57.054 -28.845 0.45 34.71 ? 12 A S C8 1 +ATOM 3479 N N7 . A E 2 12 ? -89.537 -57.043 -29.436 0.45 33.64 ? 12 A S N7 1 +ATOM 3480 C C5 . A E 2 12 ? -90.049 -55.787 -29.139 0.45 33.60 ? 12 A S C5 1 +ATOM 3481 C C6 . A E 2 12 ? -91.257 -55.152 -29.483 0.45 33.28 ? 12 A S C6 1 +ATOM 3482 N N6 . A E 2 12 ? -92.203 -55.715 -30.236 0.45 32.38 ? 12 A S N6 1 +ATOM 3483 N N1 . A E 2 12 ? -91.460 -53.901 -29.022 0.45 33.40 ? 12 A S N1 1 +ATOM 3484 C C2 . A E 2 12 ? -90.507 -53.330 -28.276 0.45 34.07 ? 12 A S C2 1 +ATOM 3485 N N3 . A E 2 12 ? -89.332 -53.820 -27.892 0.45 34.65 ? 12 A S N3 1 +ATOM 3486 C C4 . A E 2 12 ? -89.162 -55.067 -28.361 0.45 34.30 ? 12 A S C4 1 +ATOM 3487 P P . C E 2 13 ? -83.315 -55.469 -24.547 0.45 47.63 ? 13 C S P 1 +ATOM 3488 O OP1 . C E 2 13 ? -83.500 -56.680 -23.704 0.45 46.50 ? 13 C S OP1 1 +ATOM 3489 O OP2 . C E 2 13 ? -83.135 -54.143 -23.898 0.45 47.18 ? 13 C S OP2 1 +ATOM 3490 O "O5'" . C E 2 13 ? -82.096 -55.731 -25.540 0.45 47.97 ? 13 C S "O5'" 1 +ATOM 3491 C "C5'" . C E 2 13 ? -81.245 -54.669 -25.961 0.45 50.47 ? 13 C S "C5'" 1 +ATOM 3492 C "C4'" . C E 2 13 ? -80.058 -55.224 -26.712 0.45 52.93 ? 13 C S "C4'" 1 +ATOM 3493 O "O4'" . C E 2 13 ? -80.523 -55.913 -27.908 0.45 52.87 ? 13 C S "O4'" 1 +ATOM 3494 C "C3'" . C E 2 13 ? -79.078 -54.190 -27.243 0.45 54.21 ? 13 C S "C3'" 1 +ATOM 3495 O "O3'" . C E 2 13 ? -78.158 -53.764 -26.242 0.45 56.42 ? 13 C S "O3'" 1 +ATOM 3496 C "C2'" . C E 2 13 ? -78.399 -54.947 -28.377 0.45 53.64 ? 13 C S "C2'" 1 +ATOM 3497 O "O2'" . C E 2 13 ? -77.405 -55.846 -27.929 0.45 52.78 ? 13 C S "O2'" 1 +ATOM 3498 C "C1'" . C E 2 13 ? -79.580 -55.730 -28.957 0.45 53.02 ? 13 C S "C1'" 1 +ATOM 3499 N N1 . C E 2 13 ? -80.235 -54.997 -30.061 0.45 52.91 ? 13 C S N1 1 +ATOM 3500 C C2 . C E 2 13 ? -79.648 -55.033 -31.338 0.45 52.14 ? 13 C S C2 1 +ATOM 3501 O O2 . C E 2 13 ? -78.626 -55.719 -31.517 0.45 51.62 ? 13 C S O2 1 +ATOM 3502 N N3 . C E 2 13 ? -80.209 -54.320 -32.342 0.45 51.71 ? 13 C S N3 1 +ATOM 3503 C C4 . C E 2 13 ? -81.312 -53.601 -32.116 0.45 51.70 ? 13 C S C4 1 +ATOM 3504 N N4 . C E 2 13 ? -81.815 -52.893 -33.132 0.45 51.39 ? 13 C S N4 1 +ATOM 3505 C C5 . C E 2 13 ? -81.943 -53.569 -30.839 0.45 52.04 ? 13 C S C5 1 +ATOM 3506 C C6 . C E 2 13 ? -81.378 -54.276 -29.851 0.45 52.95 ? 13 C S C6 1 +ATOM 3507 P P . C E 2 14 ? -77.527 -52.283 -26.314 0.45 59.00 ? 14 C S P 1 +ATOM 3508 O OP1 . C E 2 14 ? -76.652 -52.117 -25.119 0.45 58.16 ? 14 C S OP1 1 +ATOM 3509 O OP2 . C E 2 14 ? -78.638 -51.316 -26.552 0.45 57.45 ? 14 C S OP2 1 +ATOM 3510 O "O5'" . C E 2 14 ? -76.611 -52.309 -27.624 0.45 59.02 ? 14 C S "O5'" 1 +ATOM 3511 C "C5'" . C E 2 14 ? -75.410 -53.077 -27.664 0.45 60.54 ? 14 C S "C5'" 1 +ATOM 3512 C "C4'" . C E 2 14 ? -74.807 -53.047 -29.052 0.45 61.81 ? 14 C S "C4'" 1 +ATOM 3513 O "O4'" . C E 2 14 ? -75.748 -53.633 -29.996 0.45 62.12 ? 14 C S "O4'" 1 +ATOM 3514 C "C3'" . C E 2 14 ? -74.522 -51.673 -29.639 0.45 62.70 ? 14 C S "C3'" 1 +ATOM 3515 O "O3'" . C E 2 14 ? -73.306 -51.100 -29.179 0.45 63.90 ? 14 C S "O3'" 1 +ATOM 3516 C "C2'" . C E 2 14 ? -74.491 -51.968 -31.131 0.45 62.74 ? 14 C S "C2'" 1 +ATOM 3517 O "O2'" . C E 2 14 ? -73.287 -52.580 -31.556 0.45 62.67 ? 14 C S "O2'" 1 +ATOM 3518 C "C1'" . C E 2 14 ? -75.644 -52.964 -31.249 0.45 62.53 ? 14 C S "C1'" 1 +ATOM 3519 N N1 . C E 2 14 ? -76.921 -52.271 -31.530 0.45 62.56 ? 14 C S N1 1 +ATOM 3520 C C2 . C E 2 14 ? -77.176 -51.827 -32.844 0.45 62.58 ? 14 C S C2 1 +ATOM 3521 O O2 . C E 2 14 ? -76.329 -52.041 -33.732 0.45 63.39 ? 14 C S O2 1 +ATOM 3522 N N3 . C E 2 14 ? -78.332 -51.177 -33.108 0.45 62.15 ? 14 C S N3 1 +ATOM 3523 C C4 . C E 2 14 ? -79.215 -50.960 -32.132 0.45 62.25 ? 14 C S C4 1 +ATOM 3524 N N4 . C E 2 14 ? -80.337 -50.307 -32.442 0.45 61.80 ? 14 C S N4 1 +ATOM 3525 C C5 . C E 2 14 ? -78.986 -51.403 -30.793 0.45 62.20 ? 14 C S C5 1 +ATOM 3526 C C6 . C E 2 14 ? -77.839 -52.050 -30.540 0.45 62.13 ? 14 C S C6 1 +ATOM 3527 P P . C E 2 15 ? -73.136 -49.498 -29.176 0.45 65.12 ? 15 C S P 1 +ATOM 3528 O OP1 . C E 2 15 ? -71.864 -49.171 -28.476 0.45 65.73 ? 15 C S OP1 1 +ATOM 3529 O OP2 . C E 2 15 ? -74.418 -48.918 -28.683 0.45 64.35 ? 15 C S OP2 1 +ATOM 3530 O "O5'" . C E 2 15 ? -72.982 -49.099 -30.715 0.45 64.73 ? 15 C S "O5'" 1 +ATOM 3531 C "C5'" . C E 2 15 ? -71.826 -49.475 -31.464 0.45 64.41 ? 15 C S "C5'" 1 +ATOM 3532 C "C4'" . C E 2 15 ? -71.883 -48.888 -32.862 0.45 64.14 ? 15 C S "C4'" 1 +ATOM 3533 O "O4'" . C E 2 15 ? -73.081 -49.355 -33.529 0.45 63.21 ? 15 C S "O4'" 1 +ATOM 3534 C "C3'" . C E 2 15 ? -71.953 -47.371 -32.965 0.45 64.11 ? 15 C S "C3'" 1 +ATOM 3535 O "O3'" . C E 2 15 ? -70.643 -46.803 -32.901 0.45 64.68 ? 15 C S "O3'" 1 +ATOM 3536 C "C2'" . C E 2 15 ? -72.603 -47.155 -34.329 0.45 63.44 ? 15 C S "C2'" 1 +ATOM 3537 O "O2'" . C E 2 15 ? -71.696 -47.211 -35.412 0.45 63.23 ? 15 C S "O2'" 1 +ATOM 3538 C "C1'" . C E 2 15 ? -73.557 -48.349 -34.408 0.45 62.67 ? 15 C S "C1'" 1 +ATOM 3539 N N1 . C E 2 15 ? -74.963 -48.055 -34.079 0.45 62.03 ? 15 C S N1 1 +ATOM 3540 C C2 . C E 2 15 ? -75.772 -47.430 -35.047 0.45 62.21 ? 15 C S C2 1 +ATOM 3541 O O2 . C E 2 15 ? -75.275 -47.119 -36.147 0.45 62.09 ? 15 C S O2 1 +ATOM 3542 N N3 . C E 2 15 ? -77.070 -47.181 -34.759 0.45 61.96 ? 15 C S N3 1 +ATOM 3543 C C4 . C E 2 15 ? -77.569 -47.526 -33.569 0.45 61.79 ? 15 C S C4 1 +ATOM 3544 N N4 . C E 2 15 ? -78.859 -47.270 -33.334 0.45 62.42 ? 15 C S N4 1 +ATOM 3545 C C5 . C E 2 15 ? -76.770 -48.151 -32.569 0.45 61.81 ? 15 C S C5 1 +ATOM 3546 C C6 . C E 2 15 ? -75.487 -48.392 -32.862 0.45 61.94 ? 15 C S C6 1 +ATOM 3547 P P . A E 2 16 ? -70.456 -45.224 -32.647 0.45 64.98 ? 16 A S P 1 +ATOM 3548 O OP1 . A E 2 16 ? -68.992 -44.966 -32.551 0.45 64.75 ? 16 A S OP1 1 +ATOM 3549 O OP2 . A E 2 16 ? -71.347 -44.828 -31.520 0.45 64.93 ? 16 A S OP2 1 +ATOM 3550 O "O5'" . A E 2 16 ? -71.002 -44.545 -33.983 0.45 64.78 ? 16 A S "O5'" 1 +ATOM 3551 C "C5'" . A E 2 16 ? -70.218 -44.526 -35.174 0.45 65.08 ? 16 A S "C5'" 1 +ATOM 3552 C "C4'" . A E 2 16 ? -70.941 -43.774 -36.269 0.45 65.98 ? 16 A S "C4'" 1 +ATOM 3553 O "O4'" . A E 2 16 ? -72.167 -44.476 -36.605 0.45 65.32 ? 16 A S "O4'" 1 +ATOM 3554 C "C3'" . A E 2 16 ? -71.401 -42.370 -35.906 0.45 66.99 ? 16 A S "C3'" 1 +ATOM 3555 O "O3'" . A E 2 16 ? -70.354 -41.418 -36.063 0.45 69.98 ? 16 A S "O3'" 1 +ATOM 3556 C "C2'" . A E 2 16 ? -72.553 -42.141 -36.877 0.45 65.89 ? 16 A S "C2'" 1 +ATOM 3557 O "O2'" . A E 2 16 ? -72.131 -41.775 -38.176 0.45 65.01 ? 16 A S "O2'" 1 +ATOM 3558 C "C1'" . A E 2 16 ? -73.183 -43.535 -36.920 0.45 65.09 ? 16 A S "C1'" 1 +ATOM 3559 N N9 . A E 2 16 ? -74.273 -43.698 -35.959 0.45 64.44 ? 16 A S N9 1 +ATOM 3560 C C8 . A E 2 16 ? -74.216 -44.239 -34.696 0.45 64.34 ? 16 A S C8 1 +ATOM 3561 N N7 . A E 2 16 ? -75.371 -44.261 -34.077 0.45 63.93 ? 16 A S N7 1 +ATOM 3562 C C5 . A E 2 16 ? -76.249 -43.695 -34.991 0.45 63.84 ? 16 A S C5 1 +ATOM 3563 C C6 . A E 2 16 ? -77.626 -43.442 -34.939 0.45 63.93 ? 16 A S C6 1 +ATOM 3564 N N6 . A E 2 16 ? -78.397 -43.750 -33.894 0.45 64.07 ? 16 A S N6 1 +ATOM 3565 N N1 . A E 2 16 ? -78.198 -42.859 -36.018 0.45 63.88 ? 16 A S N1 1 +ATOM 3566 C C2 . A E 2 16 ? -77.425 -42.564 -37.073 0.45 64.04 ? 16 A S C2 1 +ATOM 3567 N N3 . A E 2 16 ? -76.120 -42.761 -37.242 0.45 63.83 ? 16 A S N3 1 +ATOM 3568 C C4 . A E 2 16 ? -75.585 -43.338 -36.151 0.45 63.89 ? 16 A S C4 1 +ATOM 3569 P P . U E 2 17 ? -70.365 -40.064 -35.188 0.45 72.90 ? 17 U S P 1 +ATOM 3570 O OP1 . U E 2 17 ? -69.091 -39.340 -35.474 0.45 72.30 ? 17 U S OP1 1 +ATOM 3571 O OP2 . U E 2 17 ? -70.709 -40.430 -33.782 0.45 71.74 ? 17 U S OP2 1 +ATOM 3572 O "O5'" . U E 2 17 ? -71.570 -39.208 -35.796 0.45 72.87 ? 17 U S "O5'" 1 +ATOM 3573 C "C5'" . U E 2 17 ? -71.482 -38.642 -37.106 0.45 73.93 ? 17 U S "C5'" 1 +ATOM 3574 C "C4'" . U E 2 17 ? -72.833 -38.131 -37.551 0.45 74.78 ? 17 U S "C4'" 1 +ATOM 3575 O "O4'" . U E 2 17 ? -73.782 -39.233 -37.528 0.45 74.82 ? 17 U S "O4'" 1 +ATOM 3576 C "C3'" . U E 2 17 ? -73.471 -37.072 -36.660 0.45 75.56 ? 17 U S "C3'" 1 +ATOM 3577 O "O3'" . U E 2 17 ? -73.008 -35.756 -36.960 0.45 76.81 ? 17 U S "O3'" 1 +ATOM 3578 C "C2'" . U E 2 17 ? -74.950 -37.244 -36.978 0.45 75.47 ? 17 U S "C2'" 1 +ATOM 3579 O "O2'" . U E 2 17 ? -75.313 -36.651 -38.214 0.45 75.79 ? 17 U S "O2'" 1 +ATOM 3580 C "C1'" . U E 2 17 ? -75.051 -38.765 -37.094 0.45 74.91 ? 17 U S "C1'" 1 +ATOM 3581 N N1 . U E 2 17 ? -75.378 -39.413 -35.811 0.45 74.80 ? 17 U S N1 1 +ATOM 3582 C C2 . U E 2 17 ? -76.717 -39.484 -35.439 0.45 74.60 ? 17 U S C2 1 +ATOM 3583 O O2 . U E 2 17 ? -77.629 -39.045 -36.127 0.45 74.62 ? 17 U S O2 1 +ATOM 3584 N N3 . U E 2 17 ? -76.950 -40.090 -34.227 0.45 74.61 ? 17 U S N3 1 +ATOM 3585 C C4 . U E 2 17 ? -76.009 -40.625 -33.366 0.45 74.86 ? 17 U S C4 1 +ATOM 3586 O O4 . U E 2 17 ? -76.376 -41.114 -32.294 0.45 74.87 ? 17 U S O4 1 +ATOM 3587 C C5 . U E 2 17 ? -74.653 -40.521 -33.822 0.45 74.90 ? 17 U S C5 1 +ATOM 3588 C C6 . U E 2 17 ? -74.390 -39.934 -34.996 0.45 74.65 ? 17 U S C6 1 +ATOM 3589 P P . G E 2 18 ? -73.165 -34.577 -35.866 0.45 78.07 ? 18 G S P 1 +ATOM 3590 O OP1 . G E 2 18 ? -72.643 -33.323 -36.486 0.45 77.25 ? 18 G S OP1 1 +ATOM 3591 O OP2 . G E 2 18 ? -72.575 -35.066 -34.586 0.45 77.04 ? 18 G S OP2 1 +ATOM 3592 O "O5'" . G E 2 18 ? -74.744 -34.418 -35.651 0.45 77.46 ? 18 G S "O5'" 1 +ATOM 3593 C "C5'" . G E 2 18 ? -75.581 -33.891 -36.689 0.45 77.01 ? 18 G S "C5'" 1 +ATOM 3594 C "C4'" . G E 2 18 ? -76.992 -33.657 -36.176 0.45 77.07 ? 18 G S "C4'" 1 +ATOM 3595 O "O4'" . G E 2 18 ? -77.600 -34.916 -35.776 0.45 77.66 ? 18 G S "O4'" 1 +ATOM 3596 C "C3'" . G E 2 18 ? -77.145 -32.776 -34.944 0.45 77.04 ? 18 G S "C3'" 1 +ATOM 3597 O "O3'" . G E 2 18 ? -76.974 -31.371 -35.182 0.45 76.48 ? 18 G S "O3'" 1 +ATOM 3598 C "C2'" . G E 2 18 ? -78.526 -33.178 -34.435 0.45 77.14 ? 18 G S "C2'" 1 +ATOM 3599 O "O2'" . G E 2 18 ? -79.591 -32.583 -35.158 0.45 76.74 ? 18 G S "O2'" 1 +ATOM 3600 C "C1'" . G E 2 18 ? -78.520 -34.684 -34.712 0.45 77.21 ? 18 G S "C1'" 1 +ATOM 3601 N N9 . G E 2 18 ? -78.104 -35.475 -33.554 0.45 77.15 ? 18 G S N9 1 +ATOM 3602 C C8 . G E 2 18 ? -76.814 -35.772 -33.171 0.45 77.26 ? 18 G S C8 1 +ATOM 3603 N N7 . G E 2 18 ? -76.755 -36.506 -32.092 0.45 77.43 ? 18 G S N7 1 +ATOM 3604 C C5 . G E 2 18 ? -78.085 -36.707 -31.736 0.45 76.88 ? 18 G S C5 1 +ATOM 3605 C C6 . G E 2 18 ? -78.648 -37.434 -30.646 0.45 76.46 ? 18 G S C6 1 +ATOM 3606 O O6 . G E 2 18 ? -78.062 -38.066 -29.756 0.45 76.53 ? 18 G S O6 1 +ATOM 3607 N N1 . G E 2 18 ? -80.039 -37.376 -30.657 0.45 75.66 ? 18 G S N1 1 +ATOM 3608 C C2 . G E 2 18 ? -80.796 -36.709 -31.589 0.45 75.69 ? 18 G S C2 1 +ATOM 3609 N N2 . G E 2 18 ? -82.129 -36.765 -31.417 0.45 74.86 ? 18 G S N2 1 +ATOM 3610 N N3 . G E 2 18 ? -80.285 -36.033 -32.613 0.45 76.22 ? 18 G S N3 1 +ATOM 3611 C C4 . G E 2 18 ? -78.932 -36.074 -32.624 0.45 76.78 ? 18 G S C4 1 +HETATM 3612 O O . HOH F 3 . ? -110.810 -65.696 -16.690 1.00 48.70 ? 2001 HOH A O 1 +HETATM 3613 O O . HOH F 3 . ? -114.045 -59.213 -10.558 1.00 47.70 ? 2002 HOH A O 1 +HETATM 3614 O O . HOH F 3 . ? -124.214 -45.421 -14.962 1.00 46.80 ? 2003 HOH A O 1 +HETATM 3615 O O . HOH F 3 . ? -115.780 -56.108 -23.371 1.00 56.06 ? 2004 HOH A O 1 +HETATM 3616 O O . HOH F 3 . ? -97.937 -58.300 16.087 1.00 48.25 ? 2005 HOH A O 1 +HETATM 3617 O O . HOH F 3 . ? -121.939 -50.724 -18.243 1.00 36.99 ? 2006 HOH A O 1 +HETATM 3618 O O . HOH F 3 . ? -122.663 -47.673 -16.137 1.00 53.99 ? 2007 HOH A O 1 +HETATM 3619 O O . HOH F 3 . ? -123.579 -42.633 -15.703 1.00 29.67 ? 2008 HOH A O 1 +HETATM 3620 O O . HOH F 3 . ? -100.416 -61.541 4.070 1.00 45.56 ? 2009 HOH A O 1 +HETATM 3621 O O . HOH F 3 . ? -97.018 -57.891 13.262 1.00 48.73 ? 2010 HOH A O 1 +HETATM 3622 O O . HOH F 3 . ? -110.317 -51.162 -27.643 1.00 48.86 ? 2011 HOH A O 1 +HETATM 3623 O O . HOH F 3 . ? -111.958 -53.764 -26.272 1.00 49.56 ? 2012 HOH A O 1 +HETATM 3624 O O . HOH F 3 . ? -99.959 -52.864 -25.193 1.00 32.93 ? 2013 HOH A O 1 +HETATM 3625 O O . HOH F 3 . ? -101.973 -46.527 -23.521 1.00 37.01 ? 2014 HOH A O 1 +HETATM 3626 O O . HOH F 3 . ? -100.048 -56.471 -17.930 1.00 48.78 ? 2015 HOH A O 1 +HETATM 3627 O O . HOH F 3 . ? -102.474 -53.555 -11.353 1.00 32.66 ? 2016 HOH A O 1 +HETATM 3628 O O . HOH F 3 . ? -101.414 -49.445 -19.872 1.00 35.07 ? 2017 HOH A O 1 +HETATM 3629 O O . HOH F 3 . ? -102.759 -44.116 -20.882 1.00 54.84 ? 2018 HOH A O 1 +HETATM 3630 O O . HOH F 3 . ? -113.147 -47.969 -27.884 1.00 56.50 ? 2019 HOH A O 1 +HETATM 3631 O O . HOH F 3 . ? -114.012 -64.470 4.722 1.00 35.62 ? 2020 HOH A O 1 +HETATM 3632 O O . HOH F 3 . ? -112.708 -38.261 -32.069 1.00 42.01 ? 2021 HOH A O 1 +HETATM 3633 O O . HOH F 3 . ? -116.159 -63.459 6.371 1.00 43.20 ? 2022 HOH A O 1 +HETATM 3634 O O . HOH F 3 . ? -106.575 -39.878 -24.379 1.00 53.77 ? 2023 HOH A O 1 +HETATM 3635 O O . HOH F 3 . ? -104.123 -41.521 -24.482 1.00 43.12 ? 2024 HOH A O 1 +HETATM 3636 O O . HOH F 3 . ? -125.764 -43.350 -8.727 1.00 50.97 ? 2025 HOH A O 1 +HETATM 3637 O O . HOH F 3 . ? -119.259 -36.571 -24.421 1.00 59.57 ? 2026 HOH A O 1 +HETATM 3638 O O . HOH F 3 . ? -100.999 -55.811 -9.680 1.00 40.23 ? 2027 HOH A O 1 +HETATM 3639 O O . HOH F 3 . ? -102.277 -60.685 -1.809 1.00 42.06 ? 2028 HOH A O 1 +HETATM 3640 O O . HOH F 3 . ? -101.581 -60.851 1.673 1.00 46.49 ? 2029 HOH A O 1 +HETATM 3641 O O . HOH F 3 . ? -98.378 -59.588 3.882 1.00 50.21 ? 2030 HOH A O 1 +HETATM 3642 O O . HOH F 3 . ? -101.321 -53.232 9.755 1.00 45.93 ? 2031 HOH A O 1 +HETATM 3643 O O . HOH F 3 . ? -97.050 -59.146 10.831 1.00 39.53 ? 2032 HOH A O 1 +HETATM 3644 O O . HOH F 3 . ? -103.139 -47.370 6.175 1.00 46.21 ? 2033 HOH A O 1 +HETATM 3645 O O . HOH F 3 . ? -106.761 -55.626 0.751 1.00 34.90 ? 2034 HOH A O 1 +HETATM 3646 O O . HOH F 3 . ? -109.832 -55.511 -2.351 1.00 44.82 ? 2035 HOH A O 1 +HETATM 3647 O O . HOH F 3 . ? -101.040 -45.633 0.119 1.00 55.56 ? 2036 HOH A O 1 +HETATM 3648 O O . HOH F 3 . ? -101.852 -48.577 -6.876 1.00 42.87 ? 2037 HOH A O 1 +HETATM 3649 O O . HOH F 3 . ? -105.353 -38.109 -22.541 1.00 61.44 ? 2038 HOH A O 1 +HETATM 3650 O O . HOH F 3 . ? -117.121 -32.629 -24.869 1.00 51.09 ? 2039 HOH A O 1 +HETATM 3651 O O . HOH F 3 . ? -108.791 -24.594 -42.640 1.00 53.15 ? 2040 HOH A O 1 +HETATM 3652 O O . HOH F 3 . ? -108.555 -27.742 -42.222 1.00 51.38 ? 2041 HOH A O 1 +HETATM 3653 O O . HOH F 3 . ? -115.302 -24.636 -22.361 1.00 40.47 ? 2042 HOH A O 1 +HETATM 3654 O O . HOH F 3 . ? -107.191 -29.298 -19.097 1.00 43.70 ? 2043 HOH A O 1 +HETATM 3655 O O . HOH F 3 . ? -105.757 -44.356 0.191 1.00 34.74 ? 2044 HOH A O 1 +HETATM 3656 O O . HOH F 3 . ? -109.380 -61.537 7.578 1.00 23.60 ? 2045 HOH A O 1 +HETATM 3657 O O . HOH F 3 . ? -114.373 -63.208 2.197 1.00 35.79 ? 2046 HOH A O 1 +HETATM 3658 O O . HOH F 3 . ? -121.287 -56.038 3.323 1.00 43.75 ? 2047 HOH A O 1 +HETATM 3659 O O . HOH F 3 . ? -118.456 -57.208 6.543 1.00 32.41 ? 2048 HOH A O 1 +HETATM 3660 O O . HOH F 3 . ? -117.156 -62.199 3.255 1.00 41.49 ? 2049 HOH A O 1 +HETATM 3661 O O . HOH F 3 . ? -118.002 -59.590 -3.112 1.00 47.73 ? 2050 HOH A O 1 +HETATM 3662 O O . HOH F 3 . ? -124.958 -47.052 -0.900 1.00 30.32 ? 2051 HOH A O 1 +HETATM 3663 O O . HOH F 3 . ? -123.589 -52.231 -4.201 1.00 48.08 ? 2052 HOH A O 1 +HETATM 3664 O O . HOH F 3 . ? -123.722 -43.322 -7.316 1.00 31.14 ? 2053 HOH A O 1 +HETATM 3665 O O . HOH F 3 . ? -122.610 -36.922 -0.812 1.00 30.24 ? 2054 HOH A O 1 +HETATM 3666 O O . HOH F 3 . ? -127.769 -41.447 -8.666 1.00 41.54 ? 2055 HOH A O 1 +HETATM 3667 O O . HOH F 3 . ? -127.008 -34.312 -7.166 1.00 42.05 ? 2056 HOH A O 1 +HETATM 3668 O O . HOH F 3 . ? -126.681 -29.091 -7.881 1.00 46.24 ? 2057 HOH A O 1 +HETATM 3669 O O . HOH F 3 . ? -126.213 -28.082 -12.157 1.00 40.68 ? 2058 HOH A O 1 +HETATM 3670 O O . HOH F 3 . ? -117.323 -22.441 -6.060 1.00 57.58 ? 2059 HOH A O 1 +HETATM 3671 O O . HOH F 3 . ? -117.040 -22.186 -9.189 1.00 39.20 ? 2060 HOH A O 1 +HETATM 3672 O O . HOH F 3 . ? -125.193 -23.987 -4.148 1.00 40.37 ? 2061 HOH A O 1 +HETATM 3673 O O . HOH G 3 . ? -125.643 -27.292 -3.937 1.00 59.18 ? 2001 HOH B O 1 +HETATM 3674 O O . HOH G 3 . ? -128.802 -32.796 8.727 1.00 46.15 ? 2002 HOH B O 1 +HETATM 3675 O O . HOH G 3 . ? -127.481 -42.712 -0.742 1.00 39.62 ? 2003 HOH B O 1 +HETATM 3676 O O . HOH G 3 . ? -129.448 -39.699 1.318 1.00 40.02 ? 2004 HOH B O 1 +HETATM 3677 O O . HOH G 3 . ? -121.013 -50.761 11.801 1.00 54.98 ? 2005 HOH B O 1 +HETATM 3678 O O . HOH G 3 . ? -124.966 -43.335 11.774 1.00 35.56 ? 2006 HOH B O 1 +HETATM 3679 O O . HOH G 3 . ? -125.786 -32.942 12.411 1.00 44.78 ? 2007 HOH B O 1 +HETATM 3680 O O . HOH G 3 . ? -122.818 -34.295 14.867 1.00 46.43 ? 2008 HOH B O 1 +HETATM 3681 O O . HOH G 3 . ? -114.886 -27.605 15.209 1.00 32.66 ? 2009 HOH B O 1 +HETATM 3682 O O . HOH G 3 . ? -113.109 -33.227 12.981 1.00 36.05 ? 2010 HOH B O 1 +HETATM 3683 O O . HOH G 3 . ? -116.496 -27.155 1.296 1.00 56.32 ? 2011 HOH B O 1 +HETATM 3684 O O . HOH G 3 . ? -113.580 -29.920 9.482 1.00 37.43 ? 2012 HOH B O 1 +HETATM 3685 O O . HOH G 3 . ? -102.308 -45.796 11.673 1.00 53.98 ? 2013 HOH B O 1 +HETATM 3686 O O . HOH G 3 . ? -123.571 -38.568 13.588 1.00 52.34 ? 2014 HOH B O 1 +HETATM 3687 O O . HOH G 3 . ? -122.800 -47.461 17.559 1.00 47.27 ? 2015 HOH B O 1 +HETATM 3688 O O . HOH G 3 . ? -122.603 -47.542 12.035 1.00 53.79 ? 2016 HOH B O 1 +HETATM 3689 O O . HOH G 3 . ? -122.194 -49.780 14.464 1.00 52.55 ? 2017 HOH B O 1 +HETATM 3690 O O . HOH G 3 . ? -118.877 -23.813 -22.997 1.00 55.57 ? 2018 HOH B O 1 +HETATM 3691 O O . HOH G 3 . ? -112.538 -41.071 12.057 1.00 45.17 ? 2019 HOH B O 1 +HETATM 3692 O O . HOH G 3 . ? -111.738 -49.281 17.680 1.00 27.86 ? 2020 HOH B O 1 +HETATM 3693 O O . HOH G 3 . ? -109.354 -46.521 13.969 1.00 37.32 ? 2021 HOH B O 1 +HETATM 3694 O O . HOH G 3 . ? -124.709 -46.625 -8.286 1.00 47.39 ? 2022 HOH B O 1 +HETATM 3695 O O . HOH G 3 . ? -118.479 -47.478 17.726 1.00 32.72 ? 2023 HOH B O 1 +HETATM 3696 O O . HOH G 3 . ? -121.426 -50.963 8.779 1.00 43.72 ? 2024 HOH B O 1 +HETATM 3697 O O . HOH G 3 . ? -114.271 -25.433 0.791 1.00 46.48 ? 2025 HOH B O 1 +HETATM 3698 O O . HOH G 3 . ? -109.404 -27.633 -0.434 1.00 47.72 ? 2026 HOH B O 1 +HETATM 3699 O O . HOH G 3 . ? -109.700 -20.740 -3.223 1.00 50.03 ? 2027 HOH B O 1 +HETATM 3700 O O . HOH G 3 . ? -114.511 -22.385 -5.963 1.00 56.40 ? 2028 HOH B O 1 +HETATM 3701 O O . HOH G 3 . ? -114.042 -25.116 -12.058 1.00 30.27 ? 2029 HOH B O 1 +HETATM 3702 O O . HOH G 3 . ? -118.120 -27.508 -9.962 1.00 35.16 ? 2030 HOH B O 1 +HETATM 3703 O O . HOH G 3 . ? -109.453 -39.317 6.000 1.00 38.88 ? 2031 HOH B O 1 +HETATM 3704 O O . HOH G 3 . ? -114.783 -52.464 5.310 1.00 24.99 ? 2032 HOH B O 1 +HETATM 3705 O O . HOH G 3 . ? -114.093 -51.877 13.173 1.00 30.51 ? 2033 HOH B O 1 +HETATM 3706 O O . HOH G 3 . ? -118.613 -49.450 12.702 1.00 33.35 ? 2034 HOH B O 1 +HETATM 3707 O O . HOH G 3 . ? -119.148 -55.061 21.928 1.00 54.63 ? 2035 HOH B O 1 +HETATM 3708 O O . HOH G 3 . ? -120.143 -51.020 23.130 1.00 50.85 ? 2036 HOH B O 1 +HETATM 3709 O O . HOH G 3 . ? -119.790 -56.277 18.899 1.00 42.05 ? 2037 HOH B O 1 +HETATM 3710 O O . HOH G 3 . ? -112.087 -53.498 23.885 1.00 34.12 ? 2038 HOH B O 1 +HETATM 3711 O O . HOH G 3 . ? -111.565 -49.909 14.976 1.00 35.27 ? 2039 HOH B O 1 +HETATM 3712 O O . HOH G 3 . ? -108.937 -49.008 15.148 1.00 34.90 ? 2040 HOH B O 1 +HETATM 3713 O O . HOH G 3 . ? -112.276 -56.737 17.513 1.00 38.07 ? 2041 HOH B O 1 +HETATM 3714 O O . HOH G 3 . ? -106.749 -56.379 16.167 1.00 39.94 ? 2042 HOH B O 1 +HETATM 3715 O O . HOH G 3 . ? -106.972 -55.106 19.436 1.00 50.57 ? 2043 HOH B O 1 +HETATM 3716 O O . HOH G 3 . ? -105.055 -49.371 6.001 1.00 45.30 ? 2044 HOH B O 1 +HETATM 3717 O O . HOH G 3 . ? -101.780 -48.398 12.718 1.00 36.90 ? 2045 HOH B O 1 +HETATM 3718 O O . HOH G 3 . ? -112.909 -49.515 12.193 1.00 35.64 ? 2046 HOH B O 1 +HETATM 3719 O O . HOH G 3 . ? -112.339 -51.372 5.735 1.00 30.79 ? 2047 HOH B O 1 +HETATM 3720 O O . HOH G 3 . ? -108.695 -43.825 10.644 1.00 35.46 ? 2048 HOH B O 1 +HETATM 3721 O O . HOH G 3 . ? -109.018 -40.902 3.801 1.00 38.26 ? 2049 HOH B O 1 +HETATM 3722 O O . HOH G 3 . ? -105.912 -38.915 -4.574 1.00 48.36 ? 2050 HOH B O 1 +HETATM 3723 O O . HOH G 3 . ? -106.955 -34.433 -9.747 1.00 37.14 ? 2051 HOH B O 1 +HETATM 3724 O O . HOH G 3 . ? -116.212 -23.829 -13.359 1.00 31.03 ? 2052 HOH B O 1 +HETATM 3725 O O . HOH G 3 . ? -122.133 -26.358 -21.370 1.00 49.01 ? 2053 HOH B O 1 +HETATM 3726 O O . HOH G 3 . ? -124.677 -24.847 -17.807 1.00 38.85 ? 2054 HOH B O 1 +HETATM 3727 O O . HOH G 3 . ? -117.637 -24.893 -20.858 1.00 40.05 ? 2055 HOH B O 1 +HETATM 3728 O O . HOH G 3 . ? -125.368 -35.058 -13.038 1.00 56.71 ? 2056 HOH B O 1 +HETATM 3729 O O . HOH G 3 . ? -122.506 -45.272 -8.736 1.00 34.11 ? 2057 HOH B O 1 +HETATM 3730 O O . HOH G 3 . ? -116.091 -49.451 -13.717 1.00 25.71 ? 2058 HOH B O 1 +HETATM 3731 O O . HOH G 3 . ? -125.190 -49.325 -8.869 1.00 38.91 ? 2059 HOH B O 1 +HETATM 3732 O O . HOH G 3 . ? -120.164 -54.513 -8.800 1.00 43.03 ? 2060 HOH B O 1 +HETATM 3733 O O . HOH G 3 . ? -117.391 -58.811 -7.324 1.00 41.42 ? 2061 HOH B O 1 +HETATM 3734 O O . HOH G 3 . ? -112.149 -63.186 -3.663 1.00 45.80 ? 2062 HOH B O 1 +HETATM 3735 O O . HOH G 3 . ? -108.330 -57.998 1.590 1.00 31.01 ? 2063 HOH B O 1 +HETATM 3736 O O . HOH H 3 . ? -104.433 -66.084 -39.789 1.00 52.92 ? 2001 HOH C O 1 +HETATM 3737 O O . HOH H 3 . ? -101.547 -66.928 -43.061 1.00 42.67 ? 2002 HOH C O 1 +HETATM 3738 O O . HOH H 3 . ? -99.122 -73.473 -27.149 1.00 45.91 ? 2003 HOH C O 1 +HETATM 3739 O O . HOH H 3 . ? -92.335 -75.809 -37.798 1.00 60.55 ? 2004 HOH C O 1 +HETATM 3740 O O . HOH H 3 . ? -96.285 -75.138 -41.557 1.00 69.07 ? 2005 HOH C O 1 +HETATM 3741 O O . HOH H 3 . ? -98.574 -65.273 -20.271 1.00 54.42 ? 2006 HOH C O 1 +HETATM 3742 O O . HOH H 3 . ? -96.352 -55.246 -18.900 1.00 45.78 ? 2007 HOH C O 1 +HETATM 3743 O O . HOH H 3 . ? -89.930 -57.982 -21.742 1.00 62.85 ? 2008 HOH C O 1 +HETATM 3744 O O . HOH H 3 . ? -97.323 -51.803 -25.062 1.00 27.78 ? 2009 HOH C O 1 +HETATM 3745 O O . HOH H 3 . ? -92.302 -59.905 -23.105 1.00 44.78 ? 2010 HOH C O 1 +HETATM 3746 O O . HOH H 3 . ? -80.799 -86.998 -27.033 1.00 55.71 ? 2011 HOH C O 1 +HETATM 3747 O O . HOH H 3 . ? -88.019 -64.523 -26.098 1.00 48.86 ? 2012 HOH C O 1 +HETATM 3748 O O . HOH H 3 . ? -81.759 -76.417 -43.831 1.00 55.18 ? 2013 HOH C O 1 +HETATM 3749 O O . HOH H 3 . ? -96.766 -71.832 -27.095 1.00 38.97 ? 2014 HOH C O 1 +HETATM 3750 O O . HOH H 3 . ? -94.009 -74.382 -33.679 1.00 39.87 ? 2015 HOH C O 1 +HETATM 3751 O O . HOH H 3 . ? -91.470 -75.273 -32.010 1.00 33.10 ? 2016 HOH C O 1 +HETATM 3752 O O . HOH H 3 . ? -92.076 -73.040 -28.017 1.00 35.83 ? 2017 HOH C O 1 +HETATM 3753 O O . HOH H 3 . ? -111.630 -36.514 -37.909 1.00 49.69 ? 2018 HOH C O 1 +HETATM 3754 O O . HOH H 3 . ? -85.752 -66.540 -31.099 1.00 60.43 ? 2019 HOH C O 1 +HETATM 3755 O O . HOH H 3 . ? -89.544 -67.420 -25.030 1.00 43.00 ? 2020 HOH C O 1 +HETATM 3756 O O . HOH H 3 . ? -105.052 -62.443 -45.556 1.00 60.18 ? 2021 HOH C O 1 +HETATM 3757 O O . HOH H 3 . ? -103.694 -59.716 -44.361 1.00 40.29 ? 2022 HOH C O 1 +HETATM 3758 O O . HOH H 3 . ? -86.390 -81.138 -36.020 1.00 51.95 ? 2023 HOH C O 1 +HETATM 3759 O O . HOH H 3 . ? -90.662 -77.554 -33.396 1.00 60.77 ? 2024 HOH C O 1 +HETATM 3760 O O . HOH H 3 . ? -91.820 -74.742 -35.291 1.00 39.75 ? 2025 HOH C O 1 +HETATM 3761 O O . HOH H 3 . ? -93.419 -74.546 -40.200 1.00 51.36 ? 2026 HOH C O 1 +HETATM 3762 O O . HOH H 3 . ? -98.303 -48.981 -23.918 1.00 45.63 ? 2027 HOH C O 1 +HETATM 3763 O O . HOH H 3 . ? -102.156 -40.230 -26.134 1.00 50.16 ? 2028 HOH C O 1 +HETATM 3764 O O . HOH H 3 . ? -102.859 -42.705 -32.106 1.00 44.38 ? 2029 HOH C O 1 +HETATM 3765 O O . HOH H 3 . ? -89.394 -74.644 -40.981 1.00 44.16 ? 2030 HOH C O 1 +HETATM 3766 O O . HOH H 3 . ? -77.096 -89.588 -28.586 1.00 48.15 ? 2031 HOH C O 1 +HETATM 3767 O O . HOH H 3 . ? -81.809 -84.577 -28.016 1.00 63.20 ? 2032 HOH C O 1 +HETATM 3768 O O . HOH H 3 . ? -78.910 -87.422 -29.484 1.00 46.91 ? 2033 HOH C O 1 +HETATM 3769 O O . HOH H 3 . ? -81.898 -72.800 -32.553 1.00 50.61 ? 2034 HOH C O 1 +HETATM 3770 O O . HOH H 3 . ? -81.748 -73.871 -45.238 1.00 34.02 ? 2035 HOH C O 1 +HETATM 3771 O O . HOH H 3 . ? -82.772 -69.733 -32.997 1.00 54.29 ? 2036 HOH C O 1 +HETATM 3772 O O . HOH H 3 . ? -80.599 -66.416 -38.854 1.00 53.80 ? 2037 HOH C O 1 +HETATM 3773 O O . HOH H 3 . ? -85.279 -57.395 -40.099 1.00 48.09 ? 2038 HOH C O 1 +HETATM 3774 O O . HOH H 3 . ? -108.788 -37.284 -37.666 1.00 34.71 ? 2039 HOH C O 1 +HETATM 3775 O O . HOH H 3 . ? -105.563 -41.631 -32.213 1.00 33.70 ? 2040 HOH C O 1 +HETATM 3776 O O . HOH H 3 . ? -112.682 -39.078 -39.191 1.00 56.63 ? 2041 HOH C O 1 +HETATM 3777 O O . HOH H 3 . ? -113.204 -42.702 -33.310 1.00 45.10 ? 2042 HOH C O 1 +HETATM 3778 O O . HOH H 3 . ? -111.174 -46.606 -29.692 1.00 55.79 ? 2043 HOH C O 1 +HETATM 3779 O O . HOH H 3 . ? -114.262 -43.284 -36.183 1.00 46.44 ? 2044 HOH C O 1 +HETATM 3780 O O . HOH H 3 . ? -112.098 -50.073 -35.054 1.00 49.79 ? 2045 HOH C O 1 +HETATM 3781 O O . HOH H 3 . ? -109.784 -52.237 -41.042 1.00 55.55 ? 2046 HOH C O 1 +HETATM 3782 O O . HOH H 3 . ? -106.650 -59.953 -44.362 1.00 59.17 ? 2047 HOH C O 1 +HETATM 3783 O O . HOH H 3 . ? -109.612 -54.592 -42.755 1.00 47.50 ? 2048 HOH C O 1 +HETATM 3784 O O . HOH H 3 . ? -97.473 -54.811 -52.896 1.00 28.78 ? 2049 HOH C O 1 +HETATM 3785 O O . HOH H 3 . ? -106.609 -56.076 -54.923 1.00 57.96 ? 2050 HOH C O 1 +HETATM 3786 O O . HOH H 3 . ? -98.099 -62.892 -54.610 1.00 57.64 ? 2051 HOH C O 1 +HETATM 3787 O O . HOH H 3 . ? -104.020 -54.888 -56.793 1.00 41.17 ? 2052 HOH C O 1 +HETATM 3788 O O . HOH H 3 . ? -94.022 -65.032 -56.405 1.00 56.48 ? 2053 HOH C O 1 +HETATM 3789 O O . HOH H 3 . ? -86.557 -63.345 -50.794 1.00 48.46 ? 2054 HOH C O 1 +HETATM 3790 O O . HOH I 3 . ? -102.200 -43.038 -18.585 1.00 59.31 ? 2001 HOH R O 1 +# +loop_ +_pdbx_poly_seq_scheme.asym_id +_pdbx_poly_seq_scheme.entity_id +_pdbx_poly_seq_scheme.seq_id +_pdbx_poly_seq_scheme.mon_id +_pdbx_poly_seq_scheme.ndb_seq_num +_pdbx_poly_seq_scheme.pdb_seq_num +_pdbx_poly_seq_scheme.auth_seq_num +_pdbx_poly_seq_scheme.pdb_mon_id +_pdbx_poly_seq_scheme.auth_mon_id +_pdbx_poly_seq_scheme.pdb_strand_id +_pdbx_poly_seq_scheme.pdb_ins_code +_pdbx_poly_seq_scheme.hetero +A 1 1 ALA 1 1 1 ALA ALA A . n +A 1 2 SER 2 2 2 SER SER A . n +A 1 3 ASN 3 3 3 ASN ASN A . n +A 1 4 PHE 4 4 4 PHE PHE A . n +A 1 5 THR 5 5 5 THR THR A . n +A 1 6 GLN 6 6 6 GLN GLN A . n +A 1 7 PHE 7 7 7 PHE PHE A . n +A 1 8 VAL 8 8 8 VAL VAL A . n +A 1 9 LEU 9 9 9 LEU LEU A . n +A 1 10 VAL 10 10 10 VAL VAL A . n +A 1 11 ASP 11 11 11 ASP ASP A . n +A 1 12 ASN 12 12 12 ASN ASN A . n +A 1 13 GLY 13 13 13 GLY GLY A . n +A 1 14 GLY 14 14 14 GLY GLY A . n +A 1 15 THR 15 15 15 THR THR A . n +A 1 16 GLY 16 16 16 GLY GLY A . n +A 1 17 ASP 17 17 17 ASP ASP A . n +A 1 18 VAL 18 18 18 VAL VAL A . n +A 1 19 THR 19 19 19 THR THR A . n +A 1 20 VAL 20 20 20 VAL VAL A . n +A 1 21 ALA 21 21 21 ALA ALA A . n +A 1 22 PRO 22 22 22 PRO PRO A . n +A 1 23 SER 23 23 23 SER SER A . n +A 1 24 ASN 24 24 24 ASN ASN A . n +A 1 25 PHE 25 25 25 PHE PHE A . n +A 1 26 ALA 26 26 26 ALA ALA A . n +A 1 27 ASN 27 27 27 ASN ASN A . n +A 1 28 GLY 28 28 28 GLY GLY A . n +A 1 29 VAL 29 29 29 VAL VAL A . n +A 1 30 ALA 30 30 30 ALA ALA A . n +A 1 31 GLU 31 31 31 GLU GLU A . n +A 1 32 TRP 32 32 32 TRP TRP A . n +A 1 33 ILE 33 33 33 ILE ILE A . n +A 1 34 SER 34 34 34 SER SER A . n +A 1 35 SER 35 35 35 SER SER A . n +A 1 36 ASN 36 36 36 ASN ASN A . n +A 1 37 SER 37 37 37 SER SER A . n +A 1 38 ARG 38 38 38 ARG ARG A . n +A 1 39 SER 39 39 39 SER SER A . n +A 1 40 GLN 40 40 40 GLN GLN A . n +A 1 41 ALA 41 41 41 ALA ALA A . n +A 1 42 TYR 42 42 42 TYR TYR A . n +A 1 43 LYS 43 43 43 LYS LYS A . n +A 1 44 VAL 44 44 44 VAL VAL A . n +A 1 45 THR 45 45 45 THR THR A . n +A 1 46 CYS 46 46 46 CYS CYS A . n +A 1 47 SER 47 47 47 SER SER A . n +A 1 48 VAL 48 48 48 VAL VAL A . n +A 1 49 ARG 49 49 49 ARG ARG A . n +A 1 50 GLN 50 50 50 GLN GLN A . n +A 1 51 SER 51 51 51 SER SER A . n +A 1 52 SER 52 52 52 SER SER A . n +A 1 53 ALA 53 53 53 ALA ALA A . n +A 1 54 GLN 54 54 54 GLN GLN A . n +A 1 55 ASN 55 55 55 ASN ASN A . n +A 1 56 ARG 56 56 56 ARG ARG A . n +A 1 57 LYS 57 57 57 LYS LYS A . n +A 1 58 TYR 58 58 58 TYR TYR A . n +A 1 59 THR 59 59 59 THR THR A . n +A 1 60 ILE 60 60 60 ILE ILE 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 GLU 63 63 63 GLU GLU A . n +A 1 64 VAL 64 64 64 VAL VAL A . n +A 1 65 PRO 65 65 65 PRO PRO A . n +A 1 66 LYS 66 66 66 LYS LYS A . n +A 1 67 VAL 67 67 67 VAL VAL A . n +A 1 68 ALA 68 68 68 ALA ALA A . n +A 1 69 THR 69 69 69 THR THR A . n +A 1 70 GLN 70 70 70 GLN GLN A . n +A 1 71 THR 71 71 71 THR THR A . n +A 1 72 VAL 72 72 72 VAL VAL A . n +A 1 73 GLY 73 73 73 GLY GLY A . n +A 1 74 GLY 74 74 74 GLY GLY A . n +A 1 75 VAL 75 75 75 VAL VAL A . n +A 1 76 GLU 76 76 76 GLU GLU A . n +A 1 77 LEU 77 77 77 LEU LEU A . n +A 1 78 PRO 78 78 78 PRO PRO A . n +A 1 79 VAL 79 79 79 VAL VAL A . n +A 1 80 ALA 80 80 80 ALA ALA A . n +A 1 81 ALA 81 81 81 ALA ALA A . n +A 1 82 TRP 82 82 82 TRP TRP A . n +A 1 83 ARG 83 83 83 ARG ARG A . n +A 1 84 SER 84 84 84 SER SER A . n +A 1 85 TYR 85 85 85 TYR TYR A . n +A 1 86 LEU 86 86 86 LEU LEU A . n +A 1 87 ASN 87 87 87 ASN ASN A . n +A 1 88 MET 88 88 88 MET MET A . n +A 1 89 GLU 89 89 89 GLU GLU A . n +A 1 90 LEU 90 90 90 LEU LEU A . n +A 1 91 THR 91 91 91 THR THR A . n +A 1 92 ILE 92 92 92 ILE ILE A . n +A 1 93 PRO 93 93 93 PRO PRO A . n +A 1 94 ILE 94 94 94 ILE ILE A . n +A 1 95 PHE 95 95 95 PHE PHE A . n +A 1 96 ALA 96 96 96 ALA ALA A . n +A 1 97 THR 97 97 97 THR THR A . n +A 1 98 ASN 98 98 98 ASN ASN A . n +A 1 99 SER 99 99 99 SER SER A . n +A 1 100 ASP 100 100 100 ASP ASP A . n +A 1 101 CYS 101 101 101 CYS CYS A . n +A 1 102 GLU 102 102 102 GLU GLU A . n +A 1 103 LEU 103 103 103 LEU LEU A . n +A 1 104 ILE 104 104 104 ILE ILE A . n +A 1 105 VAL 105 105 105 VAL VAL A . n +A 1 106 LYS 106 106 106 LYS LYS A . n +A 1 107 ALA 107 107 107 ALA ALA A . n +A 1 108 MET 108 108 108 MET MET A . n +A 1 109 GLN 109 109 109 GLN GLN A . n +A 1 110 GLY 110 110 110 GLY GLY A . n +A 1 111 LEU 111 111 111 LEU LEU A . n +A 1 112 LEU 112 112 112 LEU LEU A . n +A 1 113 LYS 113 113 113 LYS LYS A . n +A 1 114 ASP 114 114 114 ASP ASP A . n +A 1 115 GLY 115 115 115 GLY GLY A . n +A 1 116 ASN 116 116 116 ASN ASN A . n +A 1 117 PRO 117 117 117 PRO PRO A . n +A 1 118 ILE 118 118 118 ILE ILE A . n +A 1 119 PRO 119 119 119 PRO PRO A . n +A 1 120 SER 120 120 120 SER SER A . n +A 1 121 ALA 121 121 121 ALA ALA A . n +A 1 122 ILE 122 122 122 ILE ILE A . n +A 1 123 ALA 123 123 123 ALA ALA A . n +A 1 124 ALA 124 124 124 ALA ALA A . n +A 1 125 ASN 125 125 125 ASN ASN A . n +A 1 126 SER 126 126 126 SER SER A . n +A 1 127 GLY 127 127 127 GLY GLY A . n +A 1 128 ILE 128 128 128 ILE ILE A . n +A 1 129 TYR 129 129 129 TYR TYR A . n +B 1 1 ALA 1 1 1 ALA ALA B . n +B 1 2 SER 2 2 2 SER SER B . n +B 1 3 ASN 3 3 3 ASN ASN B . n +B 1 4 PHE 4 4 4 PHE PHE B . n +B 1 5 THR 5 5 5 THR THR B . n +B 1 6 GLN 6 6 6 GLN GLN B . n +B 1 7 PHE 7 7 7 PHE PHE B . n +B 1 8 VAL 8 8 8 VAL VAL B . n +B 1 9 LEU 9 9 9 LEU LEU B . n +B 1 10 VAL 10 10 10 VAL VAL B . n +B 1 11 ASP 11 11 11 ASP ASP B . n +B 1 12 ASN 12 12 12 ASN ASN B . n +B 1 13 GLY 13 13 13 GLY GLY B . n +B 1 14 GLY 14 14 14 GLY GLY B . n +B 1 15 THR 15 15 15 THR THR B . n +B 1 16 GLY 16 16 16 GLY GLY B . n +B 1 17 ASP 17 17 17 ASP ASP B . n +B 1 18 VAL 18 18 18 VAL VAL B . n +B 1 19 THR 19 19 19 THR THR B . n +B 1 20 VAL 20 20 20 VAL VAL B . n +B 1 21 ALA 21 21 21 ALA ALA B . n +B 1 22 PRO 22 22 22 PRO PRO B . n +B 1 23 SER 23 23 23 SER SER B . n +B 1 24 ASN 24 24 24 ASN ASN B . n +B 1 25 PHE 25 25 25 PHE PHE B . n +B 1 26 ALA 26 26 26 ALA ALA B . n +B 1 27 ASN 27 27 27 ASN ASN B . n +B 1 28 GLY 28 28 28 GLY GLY B . n +B 1 29 VAL 29 29 29 VAL VAL B . n +B 1 30 ALA 30 30 30 ALA ALA B . n +B 1 31 GLU 31 31 31 GLU GLU B . n +B 1 32 TRP 32 32 32 TRP TRP B . n +B 1 33 ILE 33 33 33 ILE ILE B . n +B 1 34 SER 34 34 34 SER SER B . n +B 1 35 SER 35 35 35 SER SER B . n +B 1 36 ASN 36 36 36 ASN ASN B . n +B 1 37 SER 37 37 37 SER SER B . n +B 1 38 ARG 38 38 38 ARG ARG B . n +B 1 39 SER 39 39 39 SER SER B . n +B 1 40 GLN 40 40 40 GLN GLN B . n +B 1 41 ALA 41 41 41 ALA ALA B . n +B 1 42 TYR 42 42 42 TYR TYR B . n +B 1 43 LYS 43 43 43 LYS LYS B . n +B 1 44 VAL 44 44 44 VAL VAL B . n +B 1 45 THR 45 45 45 THR THR B . n +B 1 46 CYS 46 46 46 CYS CYS B . n +B 1 47 SER 47 47 47 SER SER B . n +B 1 48 VAL 48 48 48 VAL VAL B . n +B 1 49 ARG 49 49 49 ARG ARG B . n +B 1 50 GLN 50 50 50 GLN GLN B . n +B 1 51 SER 51 51 51 SER SER B . n +B 1 52 SER 52 52 52 SER SER B . n +B 1 53 ALA 53 53 53 ALA ALA B . n +B 1 54 GLN 54 54 54 GLN GLN B . n +B 1 55 ASN 55 55 55 ASN ASN B . n +B 1 56 ARG 56 56 56 ARG ARG B . n +B 1 57 LYS 57 57 57 LYS LYS B . n +B 1 58 TYR 58 58 58 TYR TYR B . n +B 1 59 THR 59 59 59 THR THR B . n +B 1 60 ILE 60 60 60 ILE ILE 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 GLU 63 63 63 GLU GLU B . n +B 1 64 VAL 64 64 64 VAL VAL B . n +B 1 65 PRO 65 65 65 PRO PRO B . n +B 1 66 LYS 66 66 66 LYS LYS B . n +B 1 67 VAL 67 67 67 VAL VAL B . n +B 1 68 ALA 68 68 68 ALA ALA B . n +B 1 69 THR 69 69 69 THR THR B . n +B 1 70 GLN 70 70 70 GLN GLN B . n +B 1 71 THR 71 71 71 THR THR B . n +B 1 72 VAL 72 72 72 VAL VAL B . n +B 1 73 GLY 73 73 73 GLY GLY B . n +B 1 74 GLY 74 74 74 GLY GLY B . n +B 1 75 VAL 75 75 75 VAL VAL B . n +B 1 76 GLU 76 76 76 GLU GLU B . n +B 1 77 LEU 77 77 77 LEU LEU B . n +B 1 78 PRO 78 78 78 PRO PRO B . n +B 1 79 VAL 79 79 79 VAL VAL B . n +B 1 80 ALA 80 80 80 ALA ALA B . n +B 1 81 ALA 81 81 81 ALA ALA B . n +B 1 82 TRP 82 82 82 TRP TRP B . n +B 1 83 ARG 83 83 83 ARG ARG B . n +B 1 84 SER 84 84 84 SER SER B . n +B 1 85 TYR 85 85 85 TYR TYR B . n +B 1 86 LEU 86 86 86 LEU LEU B . n +B 1 87 ASN 87 87 87 ASN ASN B . n +B 1 88 MET 88 88 88 MET MET B . n +B 1 89 GLU 89 89 89 GLU GLU B . n +B 1 90 LEU 90 90 90 LEU LEU B . n +B 1 91 THR 91 91 91 THR THR B . n +B 1 92 ILE 92 92 92 ILE ILE B . n +B 1 93 PRO 93 93 93 PRO PRO B . n +B 1 94 ILE 94 94 94 ILE ILE B . n +B 1 95 PHE 95 95 95 PHE PHE B . n +B 1 96 ALA 96 96 96 ALA ALA B . n +B 1 97 THR 97 97 97 THR THR B . n +B 1 98 ASN 98 98 98 ASN ASN B . n +B 1 99 SER 99 99 99 SER SER B . n +B 1 100 ASP 100 100 100 ASP ASP B . n +B 1 101 CYS 101 101 101 CYS CYS B . n +B 1 102 GLU 102 102 102 GLU GLU B . n +B 1 103 LEU 103 103 103 LEU LEU B . n +B 1 104 ILE 104 104 104 ILE ILE B . n +B 1 105 VAL 105 105 105 VAL VAL B . n +B 1 106 LYS 106 106 106 LYS LYS B . n +B 1 107 ALA 107 107 107 ALA ALA B . n +B 1 108 MET 108 108 108 MET MET B . n +B 1 109 GLN 109 109 109 GLN GLN B . n +B 1 110 GLY 110 110 110 GLY GLY B . n +B 1 111 LEU 111 111 111 LEU LEU B . n +B 1 112 LEU 112 112 112 LEU LEU B . n +B 1 113 LYS 113 113 113 LYS LYS B . n +B 1 114 ASP 114 114 114 ASP ASP B . n +B 1 115 GLY 115 115 115 GLY GLY B . n +B 1 116 ASN 116 116 116 ASN ASN B . n +B 1 117 PRO 117 117 117 PRO PRO B . n +B 1 118 ILE 118 118 118 ILE ILE B . n +B 1 119 PRO 119 119 119 PRO PRO B . n +B 1 120 SER 120 120 120 SER SER B . n +B 1 121 ALA 121 121 121 ALA ALA B . n +B 1 122 ILE 122 122 122 ILE ILE B . n +B 1 123 ALA 123 123 123 ALA ALA B . n +B 1 124 ALA 124 124 124 ALA ALA B . n +B 1 125 ASN 125 125 125 ASN ASN B . n +B 1 126 SER 126 126 126 SER SER B . n +B 1 127 GLY 127 127 127 GLY GLY B . n +B 1 128 ILE 128 128 128 ILE ILE B . n +B 1 129 TYR 129 129 129 TYR TYR B . n +C 1 1 ALA 1 1 1 ALA ALA C . n +C 1 2 SER 2 2 2 SER SER C . n +C 1 3 ASN 3 3 3 ASN ASN C . n +C 1 4 PHE 4 4 4 PHE PHE C . n +C 1 5 THR 5 5 5 THR THR C . n +C 1 6 GLN 6 6 6 GLN GLN C . n +C 1 7 PHE 7 7 7 PHE PHE C . n +C 1 8 VAL 8 8 8 VAL VAL C . n +C 1 9 LEU 9 9 9 LEU LEU C . n +C 1 10 VAL 10 10 10 VAL VAL C . n +C 1 11 ASP 11 11 11 ASP ASP C . n +C 1 12 ASN 12 12 12 ASN ASN C . n +C 1 13 GLY 13 13 13 GLY GLY C . n +C 1 14 GLY 14 14 14 GLY GLY C . n +C 1 15 THR 15 15 15 THR THR C . n +C 1 16 GLY 16 16 16 GLY GLY C . n +C 1 17 ASP 17 17 17 ASP ASP C . n +C 1 18 VAL 18 18 18 VAL VAL C . n +C 1 19 THR 19 19 19 THR THR C . n +C 1 20 VAL 20 20 20 VAL VAL C . n +C 1 21 ALA 21 21 21 ALA ALA C . n +C 1 22 PRO 22 22 22 PRO PRO C . n +C 1 23 SER 23 23 23 SER SER C . n +C 1 24 ASN 24 24 24 ASN ASN C . n +C 1 25 PHE 25 25 25 PHE PHE C . n +C 1 26 ALA 26 26 26 ALA ALA C . n +C 1 27 ASN 27 27 27 ASN ASN C . n +C 1 28 GLY 28 28 28 GLY GLY C . n +C 1 29 VAL 29 29 29 VAL VAL C . n +C 1 30 ALA 30 30 30 ALA ALA C . n +C 1 31 GLU 31 31 31 GLU GLU C . n +C 1 32 TRP 32 32 32 TRP TRP C . n +C 1 33 ILE 33 33 33 ILE ILE C . n +C 1 34 SER 34 34 34 SER SER C . n +C 1 35 SER 35 35 35 SER SER C . n +C 1 36 ASN 36 36 36 ASN ASN C . n +C 1 37 SER 37 37 37 SER SER C . n +C 1 38 ARG 38 38 38 ARG ARG C . n +C 1 39 SER 39 39 39 SER SER C . n +C 1 40 GLN 40 40 40 GLN GLN C . n +C 1 41 ALA 41 41 41 ALA ALA C . n +C 1 42 TYR 42 42 42 TYR TYR C . n +C 1 43 LYS 43 43 43 LYS LYS C . n +C 1 44 VAL 44 44 44 VAL VAL C . n +C 1 45 THR 45 45 45 THR THR C . n +C 1 46 CYS 46 46 46 CYS CYS C . n +C 1 47 SER 47 47 47 SER SER C . n +C 1 48 VAL 48 48 48 VAL VAL C . n +C 1 49 ARG 49 49 49 ARG ARG C . n +C 1 50 GLN 50 50 50 GLN GLN C . n +C 1 51 SER 51 51 51 SER SER C . n +C 1 52 SER 52 52 52 SER SER C . n +C 1 53 ALA 53 53 53 ALA ALA C . n +C 1 54 GLN 54 54 54 GLN GLN C . n +C 1 55 ASN 55 55 55 ASN ASN C . n +C 1 56 ARG 56 56 56 ARG ARG C . n +C 1 57 LYS 57 57 57 LYS LYS C . n +C 1 58 TYR 58 58 58 TYR TYR C . n +C 1 59 THR 59 59 59 THR THR C . n +C 1 60 ILE 60 60 60 ILE ILE C . n +C 1 61 LYS 61 61 61 LYS LYS C . n +C 1 62 VAL 62 62 62 VAL VAL C . n +C 1 63 GLU 63 63 63 GLU GLU C . n +C 1 64 VAL 64 64 64 VAL VAL C . n +C 1 65 PRO 65 65 65 PRO PRO C . n +C 1 66 LYS 66 66 66 LYS LYS C . n +C 1 67 VAL 67 67 67 VAL VAL C . n +C 1 68 ALA 68 68 68 ALA ALA C . n +C 1 69 THR 69 69 69 THR THR C . n +C 1 70 GLN 70 70 70 GLN GLN C . n +C 1 71 THR 71 71 71 THR THR C . n +C 1 72 VAL 72 72 72 VAL VAL C . n +C 1 73 GLY 73 73 73 GLY GLY C . n +C 1 74 GLY 74 74 74 GLY GLY C . n +C 1 75 VAL 75 75 75 VAL VAL C . n +C 1 76 GLU 76 76 76 GLU GLU C . n +C 1 77 LEU 77 77 77 LEU LEU C . n +C 1 78 PRO 78 78 78 PRO PRO C . n +C 1 79 VAL 79 79 79 VAL VAL C . n +C 1 80 ALA 80 80 80 ALA ALA C . n +C 1 81 ALA 81 81 81 ALA ALA C . n +C 1 82 TRP 82 82 82 TRP TRP C . n +C 1 83 ARG 83 83 83 ARG ARG C . n +C 1 84 SER 84 84 84 SER SER C . n +C 1 85 TYR 85 85 85 TYR TYR C . n +C 1 86 LEU 86 86 86 LEU LEU C . n +C 1 87 ASN 87 87 87 ASN ASN C . n +C 1 88 MET 88 88 88 MET MET C . n +C 1 89 GLU 89 89 89 GLU GLU C . n +C 1 90 LEU 90 90 90 LEU LEU C . n +C 1 91 THR 91 91 91 THR THR C . n +C 1 92 ILE 92 92 92 ILE ILE C . n +C 1 93 PRO 93 93 93 PRO PRO C . n +C 1 94 ILE 94 94 94 ILE ILE C . n +C 1 95 PHE 95 95 95 PHE PHE C . n +C 1 96 ALA 96 96 96 ALA ALA C . n +C 1 97 THR 97 97 97 THR THR C . n +C 1 98 ASN 98 98 98 ASN ASN C . n +C 1 99 SER 99 99 99 SER SER C . n +C 1 100 ASP 100 100 100 ASP ASP C . n +C 1 101 CYS 101 101 101 CYS CYS C . n +C 1 102 GLU 102 102 102 GLU GLU C . n +C 1 103 LEU 103 103 103 LEU LEU C . n +C 1 104 ILE 104 104 104 ILE ILE C . n +C 1 105 VAL 105 105 105 VAL VAL C . n +C 1 106 LYS 106 106 106 LYS LYS C . n +C 1 107 ALA 107 107 107 ALA ALA C . n +C 1 108 MET 108 108 108 MET MET C . n +C 1 109 GLN 109 109 109 GLN GLN C . n +C 1 110 GLY 110 110 110 GLY GLY C . n +C 1 111 LEU 111 111 111 LEU LEU C . n +C 1 112 LEU 112 112 112 LEU LEU C . n +C 1 113 LYS 113 113 113 LYS LYS C . n +C 1 114 ASP 114 114 114 ASP ASP C . n +C 1 115 GLY 115 115 115 GLY GLY C . n +C 1 116 ASN 116 116 116 ASN ASN C . n +C 1 117 PRO 117 117 117 PRO PRO C . n +C 1 118 ILE 118 118 118 ILE ILE C . n +C 1 119 PRO 119 119 119 PRO PRO C . n +C 1 120 SER 120 120 120 SER SER C . n +C 1 121 ALA 121 121 121 ALA ALA C . n +C 1 122 ILE 122 122 122 ILE ILE C . n +C 1 123 ALA 123 123 123 ALA ALA C . n +C 1 124 ALA 124 124 124 ALA ALA C . n +C 1 125 ASN 125 125 125 ASN ASN C . n +C 1 126 SER 126 126 126 SER SER C . n +C 1 127 GLY 127 127 127 GLY GLY C . n +C 1 128 ILE 128 128 128 ILE ILE C . n +C 1 129 TYR 129 129 129 TYR TYR C . n +D 2 1 A 1 1 ? ? ? R . n +D 2 2 C 2 2 2 C C R . n +D 2 3 A 3 3 3 A A R . n +D 2 4 U 4 4 4 U U R . n +D 2 5 G 5 5 5 G G R . n +D 2 6 A 6 6 6 A A R . n +D 2 7 G 7 7 7 G G R . n +D 2 8 G 8 8 8 G G R . n +D 2 9 A 9 9 9 A A R . n +D 2 10 U 10 10 10 U U R . n +D 2 11 PYO 11 11 11 PYO PYO R . n +D 2 12 A 12 12 12 A A R . n +D 2 13 C 13 13 13 C C R . n +D 2 14 C 14 14 14 C C R . n +D 2 15 C 15 15 15 C C R . n +D 2 16 A 16 16 16 A A R . n +D 2 17 U 17 17 17 U U R . n +D 2 18 G 18 18 18 G G R . n +D 2 19 U 19 19 ? ? ? R . n +E 2 1 A 1 1 ? ? ? S . n +E 2 2 C 2 2 2 C C S . n +E 2 3 A 3 3 3 A A S . n +E 2 4 U 4 4 4 U U S . n +E 2 5 G 5 5 5 G G S . n +E 2 6 A 6 6 6 A A S . n +E 2 7 G 7 7 7 G G S . n +E 2 8 G 8 8 8 G G S . n +E 2 9 A 9 9 9 A A S . n +E 2 10 U 10 10 10 U U S . n +E 2 11 PYO 11 11 11 PYO PYO S . n +E 2 12 A 12 12 12 A A S . n +E 2 13 C 13 13 13 C C S . n +E 2 14 C 14 14 14 C C S . n +E 2 15 C 15 15 15 C C S . n +E 2 16 A 16 16 16 A A S . n +E 2 17 U 17 17 17 U U S . n +E 2 18 G 18 18 18 G G S . n +E 2 19 U 19 19 ? ? ? S . n +# +loop_ +_pdbx_nonpoly_scheme.asym_id +_pdbx_nonpoly_scheme.entity_id +_pdbx_nonpoly_scheme.mon_id +_pdbx_nonpoly_scheme.ndb_seq_num +_pdbx_nonpoly_scheme.pdb_seq_num +_pdbx_nonpoly_scheme.auth_seq_num +_pdbx_nonpoly_scheme.pdb_mon_id +_pdbx_nonpoly_scheme.auth_mon_id +_pdbx_nonpoly_scheme.pdb_strand_id +_pdbx_nonpoly_scheme.pdb_ins_code +F 3 HOH 1 2001 2001 HOH HOH A . +F 3 HOH 2 2002 2002 HOH HOH A . +F 3 HOH 3 2003 2003 HOH HOH A . +F 3 HOH 4 2004 2004 HOH HOH A . +F 3 HOH 5 2005 2005 HOH HOH A . +F 3 HOH 6 2006 2006 HOH HOH A . +F 3 HOH 7 2007 2007 HOH HOH A . +F 3 HOH 8 2008 2008 HOH HOH A . +F 3 HOH 9 2009 2009 HOH HOH A . +F 3 HOH 10 2010 2010 HOH HOH A . +F 3 HOH 11 2011 2011 HOH HOH A . +F 3 HOH 12 2012 2012 HOH HOH A . +F 3 HOH 13 2013 2013 HOH HOH A . +F 3 HOH 14 2014 2014 HOH HOH A . +F 3 HOH 15 2015 2015 HOH HOH A . +F 3 HOH 16 2016 2016 HOH HOH A . +F 3 HOH 17 2017 2017 HOH HOH A . +F 3 HOH 18 2018 2018 HOH HOH A . +F 3 HOH 19 2019 2019 HOH HOH A . +F 3 HOH 20 2020 2020 HOH HOH A . +F 3 HOH 21 2021 2021 HOH HOH A . +F 3 HOH 22 2022 2022 HOH HOH A . +F 3 HOH 23 2023 2023 HOH HOH A . +F 3 HOH 24 2024 2024 HOH HOH A . +F 3 HOH 25 2025 2025 HOH HOH A . +F 3 HOH 26 2026 2026 HOH HOH A . +F 3 HOH 27 2027 2027 HOH HOH A . +F 3 HOH 28 2028 2028 HOH HOH A . +F 3 HOH 29 2029 2029 HOH HOH A . +F 3 HOH 30 2030 2030 HOH HOH A . +F 3 HOH 31 2031 2031 HOH HOH A . +F 3 HOH 32 2032 2032 HOH HOH A . +F 3 HOH 33 2033 2033 HOH HOH A . +F 3 HOH 34 2034 2034 HOH HOH A . +F 3 HOH 35 2035 2035 HOH HOH A . +F 3 HOH 36 2036 2036 HOH HOH A . +F 3 HOH 37 2037 2037 HOH HOH A . +F 3 HOH 38 2038 2038 HOH HOH A . +F 3 HOH 39 2039 2039 HOH HOH A . +F 3 HOH 40 2040 2040 HOH HOH A . +F 3 HOH 41 2041 2041 HOH HOH A . +F 3 HOH 42 2042 2042 HOH HOH A . +F 3 HOH 43 2043 2043 HOH HOH A . +F 3 HOH 44 2044 2044 HOH HOH A . +F 3 HOH 45 2045 2045 HOH HOH A . +F 3 HOH 46 2046 2046 HOH HOH A . +F 3 HOH 47 2047 2047 HOH HOH A . +F 3 HOH 48 2048 2048 HOH HOH A . +F 3 HOH 49 2049 2049 HOH HOH A . +F 3 HOH 50 2050 2050 HOH HOH A . +F 3 HOH 51 2051 2051 HOH HOH A . +F 3 HOH 52 2052 2052 HOH HOH A . +F 3 HOH 53 2053 2053 HOH HOH A . +F 3 HOH 54 2054 2054 HOH HOH A . +F 3 HOH 55 2055 2055 HOH HOH A . +F 3 HOH 56 2056 2056 HOH HOH A . +F 3 HOH 57 2057 2057 HOH HOH A . +F 3 HOH 58 2058 2058 HOH HOH A . +F 3 HOH 59 2059 2059 HOH HOH A . +F 3 HOH 60 2060 2060 HOH HOH A . +F 3 HOH 61 2061 2061 HOH HOH A . +G 3 HOH 1 2001 2001 HOH HOH B . +G 3 HOH 2 2002 2002 HOH HOH B . +G 3 HOH 3 2003 2003 HOH HOH B . +G 3 HOH 4 2004 2004 HOH HOH B . +G 3 HOH 5 2005 2005 HOH HOH B . +G 3 HOH 6 2006 2006 HOH HOH B . +G 3 HOH 7 2007 2007 HOH HOH B . +G 3 HOH 8 2008 2008 HOH HOH B . +G 3 HOH 9 2009 2009 HOH HOH B . +G 3 HOH 10 2010 2010 HOH HOH B . +G 3 HOH 11 2011 2011 HOH HOH B . +G 3 HOH 12 2012 2012 HOH HOH B . +G 3 HOH 13 2013 2013 HOH HOH B . +G 3 HOH 14 2014 2014 HOH HOH B . +G 3 HOH 15 2015 2015 HOH HOH B . +G 3 HOH 16 2016 2016 HOH HOH B . +G 3 HOH 17 2017 2017 HOH HOH B . +G 3 HOH 18 2018 2018 HOH HOH B . +G 3 HOH 19 2019 2019 HOH HOH B . +G 3 HOH 20 2020 2020 HOH HOH B . +G 3 HOH 21 2021 2021 HOH HOH B . +G 3 HOH 22 2022 2022 HOH HOH B . +G 3 HOH 23 2023 2023 HOH HOH B . +G 3 HOH 24 2024 2024 HOH HOH B . +G 3 HOH 25 2025 2025 HOH HOH B . +G 3 HOH 26 2026 2026 HOH HOH B . +G 3 HOH 27 2027 2027 HOH HOH B . +G 3 HOH 28 2028 2028 HOH HOH B . +G 3 HOH 29 2029 2029 HOH HOH B . +G 3 HOH 30 2030 2030 HOH HOH B . +G 3 HOH 31 2031 2031 HOH HOH B . +G 3 HOH 32 2032 2032 HOH HOH B . +G 3 HOH 33 2033 2033 HOH HOH B . +G 3 HOH 34 2034 2034 HOH HOH B . +G 3 HOH 35 2035 2035 HOH HOH B . +G 3 HOH 36 2036 2036 HOH HOH B . +G 3 HOH 37 2037 2037 HOH HOH B . +G 3 HOH 38 2038 2038 HOH HOH B . +G 3 HOH 39 2039 2039 HOH HOH B . +G 3 HOH 40 2040 2040 HOH HOH B . +G 3 HOH 41 2041 2041 HOH HOH B . +G 3 HOH 42 2042 2042 HOH HOH B . +G 3 HOH 43 2043 2043 HOH HOH B . +G 3 HOH 44 2044 2044 HOH HOH B . +G 3 HOH 45 2045 2045 HOH HOH B . +G 3 HOH 46 2046 2046 HOH HOH B . +G 3 HOH 47 2047 2047 HOH HOH B . +G 3 HOH 48 2048 2048 HOH HOH B . +G 3 HOH 49 2049 2049 HOH HOH B . +G 3 HOH 50 2050 2050 HOH HOH B . +G 3 HOH 51 2051 2051 HOH HOH B . +G 3 HOH 52 2052 2052 HOH HOH B . +G 3 HOH 53 2053 2053 HOH HOH B . +G 3 HOH 54 2054 2054 HOH HOH B . +G 3 HOH 55 2055 2055 HOH HOH B . +G 3 HOH 56 2056 2056 HOH HOH B . +G 3 HOH 57 2057 2057 HOH HOH B . +G 3 HOH 58 2058 2058 HOH HOH B . +G 3 HOH 59 2059 2059 HOH HOH B . +G 3 HOH 60 2060 2060 HOH HOH B . +G 3 HOH 61 2061 2061 HOH HOH B . +G 3 HOH 62 2062 2062 HOH HOH B . +G 3 HOH 63 2063 2063 HOH HOH B . +H 3 HOH 1 2001 2001 HOH HOH C . +H 3 HOH 2 2002 2002 HOH HOH C . +H 3 HOH 3 2003 2003 HOH HOH C . +H 3 HOH 4 2004 2004 HOH HOH C . +H 3 HOH 5 2005 2005 HOH HOH C . +H 3 HOH 6 2006 2006 HOH HOH C . +H 3 HOH 7 2007 2007 HOH HOH C . +H 3 HOH 8 2008 2008 HOH HOH C . +H 3 HOH 9 2009 2009 HOH HOH C . +H 3 HOH 10 2010 2010 HOH HOH C . +H 3 HOH 11 2011 2011 HOH HOH C . +H 3 HOH 12 2012 2012 HOH HOH C . +H 3 HOH 13 2013 2013 HOH HOH C . +H 3 HOH 14 2014 2014 HOH HOH C . +H 3 HOH 15 2015 2015 HOH HOH C . +H 3 HOH 16 2016 2016 HOH HOH C . +H 3 HOH 17 2017 2017 HOH HOH C . +H 3 HOH 18 2018 2018 HOH HOH C . +H 3 HOH 19 2019 2019 HOH HOH C . +H 3 HOH 20 2020 2020 HOH HOH C . +H 3 HOH 21 2021 2021 HOH HOH C . +H 3 HOH 22 2022 2022 HOH HOH C . +H 3 HOH 23 2023 2023 HOH HOH C . +H 3 HOH 24 2024 2024 HOH HOH C . +H 3 HOH 25 2025 2025 HOH HOH C . +H 3 HOH 26 2026 2026 HOH HOH C . +H 3 HOH 27 2027 2027 HOH HOH C . +H 3 HOH 28 2028 2028 HOH HOH C . +H 3 HOH 29 2029 2029 HOH HOH C . +H 3 HOH 30 2030 2030 HOH HOH C . +H 3 HOH 31 2031 2031 HOH HOH C . +H 3 HOH 32 2032 2032 HOH HOH C . +H 3 HOH 33 2033 2033 HOH HOH C . +H 3 HOH 34 2034 2034 HOH HOH C . +H 3 HOH 35 2035 2035 HOH HOH C . +H 3 HOH 36 2036 2036 HOH HOH C . +H 3 HOH 37 2037 2037 HOH HOH C . +H 3 HOH 38 2038 2038 HOH HOH C . +H 3 HOH 39 2039 2039 HOH HOH C . +H 3 HOH 40 2040 2040 HOH HOH C . +H 3 HOH 41 2041 2041 HOH HOH C . +H 3 HOH 42 2042 2042 HOH HOH C . +H 3 HOH 43 2043 2043 HOH HOH C . +H 3 HOH 44 2044 2044 HOH HOH C . +H 3 HOH 45 2045 2045 HOH HOH C . +H 3 HOH 46 2046 2046 HOH HOH C . +H 3 HOH 47 2047 2047 HOH HOH C . +H 3 HOH 48 2048 2048 HOH HOH C . +H 3 HOH 49 2049 2049 HOH HOH C . +H 3 HOH 50 2050 2050 HOH HOH C . +H 3 HOH 51 2051 2051 HOH HOH C . +H 3 HOH 52 2052 2052 HOH HOH C . +H 3 HOH 53 2053 2053 HOH HOH C . +H 3 HOH 54 2054 2054 HOH HOH C . +I 3 HOH 1 2001 2001 HOH HOH R . +# +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 D PYO 11 R PYO 11 ? U ? +2 E PYO 11 S PYO 11 ? U ? +# +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 'complete icosahedral assembly' ? 300-MERIC 300 +2 'icosahedral asymmetric unit' ? pentameric 5 +3 'icosahedral pentamer' ? 25-meric 25 +4 'icosahedral 23 hexamer' ? 30-meric 30 +5 'icosahedral asymmetric unit, std point frame' ? pentameric 5 +6 'crystal asymmetric unit, crystal frame' ? 50-meric 50 +# +loop_ +_pdbx_struct_assembly_gen.assembly_id +_pdbx_struct_assembly_gen.oper_expression +_pdbx_struct_assembly_gen.asym_id_list +1 '(1-60)' A,B,C,D,E,F,G,H,I +2 1 A,B,C,D,E,F,G,H,I +3 '(1-5)' A,B,C,D,E,F,G,H,I +4 '(1,2,6,10,23,24)' A,B,C,D,E,F,G,H,I +5 P A,B,C,D,E,F,G,H,I +6 '(X0)(1-10)' A,B,C,D,E,F,G,H,I +# +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] +P 'transform to point frame' ? ? 0.50000000 -0.86602540 0.00000000 0.00000 -0.30901699 -0.17841104 0.93417236 -0.00000 +-0.80901699 -0.46708618 -0.35682209 -0.00000 +X0 'identity operation' 1_555 x,y,z 1.00000000 0.00000000 0.00000000 0.00000 0.00000000 1.00000000 0.00000000 0.00000 +0.00000000 0.00000000 1.00000000 0.00000 +1 'identity operation' 1_555 x,y,z 1.00000000 0.00000000 0.00000000 0.00000 0.00000000 1.00000000 0.00000000 0.00000 +0.00000000 0.00000000 1.00000000 0.00000 +2 'point symmetry operation' ? ? 0.80901699 0.11026409 -0.57735027 0.00000 0.46708618 0.47568366 0.74535599 0.00000 +0.35682209 -0.87267800 0.33333333 0.00000 +3 'point symmetry operation' ? ? 0.50000000 0.64549722 -0.57735027 0.00000 0.86602540 -0.37267800 0.33333333 0.00000 +0.00000000 -0.66666667 -0.74535599 0.00000 +4 'point symmetry operation' ? ? 0.50000000 0.86602540 0.00000000 0.00000 0.64549722 -0.37267800 -0.66666667 0.00000 +-0.57735027 0.33333333 -0.74535599 0.00000 +5 'point symmetry operation' ? ? 0.80901699 0.46708618 0.35682209 0.00000 0.11026409 0.47568366 -0.87267800 0.00000 +-0.57735027 0.74535599 0.33333333 0.00000 +6 'point symmetry operation' ? ? 0.30901699 0.75576131 0.57735027 0.00000 0.75576131 -0.56366100 0.33333333 0.00000 +0.57735027 0.33333333 -0.74535599 0.00000 +7 'point symmetry operation' ? ? 0.80901699 -0.11026409 0.57735027 0.00000 0.46708618 -0.47568366 -0.74535599 0.00000 +0.35682209 0.87267800 -0.33333333 0.00000 +8 'point symmetry operation' ? ? 0.80901699 -0.46708618 -0.35682209 0.00000 -0.11026409 0.47568366 -0.87267800 0.00000 +0.57735027 0.74535599 0.33333333 0.00000 +9 'point symmetry operation' ? ? 0.30901699 0.17841104 -0.93417236 0.00000 -0.17841104 0.97568366 0.12732200 0.00000 +0.93417236 0.12732200 0.33333333 0.00000 +10 'point symmetry operation' ? ? 0.00000000 0.93417236 -0.35682209 0.00000 0.35682209 0.33333333 0.87267800 0.00000 +0.93417236 -0.12732200 -0.33333333 0.00000 +11 'point symmetry operation' ? ? -0.80901699 0.11026409 -0.57735027 0.00000 0.11026409 -0.93633900 -0.33333333 0.00000 +-0.57735027 -0.33333333 0.74535599 0.00000 +12 'point symmetry operation' ? ? -0.80901699 0.46708618 0.35682209 0.00000 -0.46708618 -0.14235033 -0.87267800 0.00000 +-0.35682209 -0.87267800 0.33333333 0.00000 +13 'point symmetry operation' ? ? -0.30901699 -0.17841104 0.93417236 0.00000 -0.75576131 0.64235033 -0.12732200 0.00000 +-0.57735027 -0.74535599 -0.33333333 0.00000 +14 'point symmetry operation' ? ? 0.00000000 -0.93417236 0.35682209 0.00000 -0.35682209 0.33333333 0.87267800 0.00000 +-0.93417236 -0.12732200 -0.33333333 0.00000 +15 'point symmetry operation' ? ? -0.30901699 -0.75576131 -0.57735027 0.00000 0.17841104 -0.64235033 0.74535599 0.00000 +-0.93417236 0.12732200 0.33333333 0.00000 +16 'point symmetry operation' ? ? -0.50000000 -0.86602540 0.00000000 0.00000 -0.86602540 0.50000000 0.00000000 0.00000 +0.00000000 0.00000000 -1.00000000 0.00000 +17 'point symmetry operation' ? ? -0.80901699 -0.46708618 -0.35682209 0.00000 -0.46708618 0.14235033 0.87267800 0.00000 +-0.35682209 0.87267800 -0.33333333 0.00000 +18 'point symmetry operation' ? ? -1.00000000 0.00000000 0.00000000 0.00000 0.00000000 -0.74535599 0.66666667 0.00000 +0.00000000 0.66666667 0.74535599 0.00000 +19 'point symmetry operation' ? ? -0.80901699 -0.11026409 0.57735027 0.00000 -0.11026409 -0.93633900 -0.33333333 0.00000 +0.57735027 -0.33333333 0.74535599 0.00000 +20 'point symmetry operation' ? ? -0.50000000 -0.64549722 0.57735027 0.00000 -0.64549722 -0.16666667 -0.74535599 0.00000 +0.57735027 -0.74535599 -0.33333333 0.00000 +21 'point symmetry operation' ? ? -0.30901699 0.17841104 -0.93417236 0.00000 0.75576131 0.64235033 -0.12732200 0.00000 +0.57735027 -0.74535599 -0.33333333 0.00000 +22 'point symmetry operation' ? ? -0.50000000 0.86602540 0.00000000 0.00000 0.86602540 0.50000000 0.00000000 0.00000 +0.00000000 0.00000000 -1.00000000 0.00000 +23 'point symmetry operation' ? ? 0.00000000 0.35682209 0.93417236 0.00000 0.93417236 0.33333333 -0.12732200 0.00000 +-0.35682209 0.87267800 -0.33333333 0.00000 +24 'point symmetry operation' ? ? 0.50000000 -0.64549722 0.57735027 0.00000 0.86602540 0.37267800 -0.33333333 0.00000 +0.00000000 0.66666667 0.74535599 0.00000 +25 'point symmetry operation' ? ? 0.30901699 -0.75576131 -0.57735027 0.00000 0.75576131 0.56366100 -0.33333333 0.00000 +0.57735027 -0.33333333 0.74535599 0.00000 +26 'point symmetry operation' ? ? -0.50000000 -0.64549722 0.57735027 0.00000 0.64549722 0.16666667 0.74535599 0.00000 +-0.57735027 0.74535599 0.33333333 0.00000 +27 'point symmetry operation' ? ? -0.50000000 -0.86602540 0.00000000 0.00000 0.86602540 -0.50000000 0.00000000 0.00000 +0.00000000 0.00000000 1.00000000 0.00000 +28 'point symmetry operation' ? ? -0.80901699 -0.46708618 -0.35682209 0.00000 0.46708618 -0.14235033 -0.87267800 0.00000 +0.35682209 -0.87267800 0.33333333 0.00000 +29 'point symmetry operation' ? ? -1.00000000 0.00000000 0.00000000 0.00000 0.00000000 0.74535599 -0.66666667 0.00000 +0.00000000 -0.66666667 -0.74535599 0.00000 +30 'point symmetry operation' ? ? -0.80901699 -0.11026409 0.57735027 0.00000 0.11026409 0.93633900 0.33333333 0.00000 +-0.57735027 0.33333333 -0.74535599 0.00000 +31 'point symmetry operation' ? ? 0.80901699 0.11026409 -0.57735027 0.00000 -0.46708618 -0.47568366 -0.74535599 0.00000 +-0.35682209 0.87267800 -0.33333333 0.00000 +32 'point symmetry operation' ? ? 0.50000000 0.64549722 -0.57735027 0.00000 -0.86602540 0.37267800 -0.33333333 0.00000 +0.00000000 0.66666667 0.74535599 0.00000 +33 'point symmetry operation' ? ? 0.50000000 0.86602540 0.00000000 0.00000 -0.64549722 0.37267800 0.66666667 0.00000 +0.57735027 -0.33333333 0.74535599 0.00000 +34 'point symmetry operation' ? ? 0.80901699 0.46708618 0.35682209 0.00000 -0.11026409 -0.47568366 0.87267800 0.00000 +0.57735027 -0.74535599 -0.33333333 0.00000 +35 'point symmetry operation' ? ? 1.00000000 0.00000000 0.00000000 0.00000 0.00000000 -1.00000000 0.00000000 0.00000 +0.00000000 0.00000000 -1.00000000 0.00000 +36 'point symmetry operation' ? ? 0.00000000 0.35682209 0.93417236 0.00000 -0.93417236 -0.33333333 0.12732200 0.00000 +0.35682209 -0.87267800 0.33333333 0.00000 +37 'point symmetry operation' ? ? 0.50000000 -0.64549722 0.57735027 0.00000 -0.86602540 -0.37267800 0.33333333 0.00000 +0.00000000 -0.66666667 -0.74535599 0.00000 +38 'point symmetry operation' ? ? 0.30901699 -0.75576131 -0.57735027 0.00000 -0.75576131 -0.56366100 0.33333333 0.00000 +-0.57735027 0.33333333 -0.74535599 0.00000 +39 'point symmetry operation' ? ? -0.30901699 0.17841104 -0.93417236 0.00000 -0.75576131 -0.64235033 0.12732200 0.00000 +-0.57735027 0.74535599 0.33333333 0.00000 +40 'point symmetry operation' ? ? -0.50000000 0.86602540 0.00000000 0.00000 -0.86602540 -0.50000000 0.00000000 0.00000 +0.00000000 0.00000000 1.00000000 0.00000 +41 'point symmetry operation' ? ? -0.30901699 0.75576131 0.57735027 0.00000 0.17841104 0.64235033 -0.74535599 0.00000 +-0.93417236 -0.12732200 -0.33333333 0.00000 +42 'point symmetry operation' ? ? 0.30901699 -0.17841104 0.93417236 0.00000 0.17841104 0.97568366 0.12732200 0.00000 +-0.93417236 0.12732200 0.33333333 0.00000 +43 'point symmetry operation' ? ? 0.50000000 -0.86602540 0.00000000 0.00000 0.64549722 0.37267800 0.66666667 0.00000 +-0.57735027 -0.33333333 0.74535599 0.00000 +44 'point symmetry operation' ? ? 0.00000000 -0.35682209 -0.93417236 0.00000 0.93417236 -0.33333333 0.12732200 0.00000 +-0.35682209 -0.87267800 0.33333333 0.00000 +45 'point symmetry operation' ? ? -0.50000000 0.64549722 -0.57735027 0.00000 0.64549722 -0.16666667 -0.74535599 0.00000 +-0.57735027 -0.74535599 -0.33333333 0.00000 +46 'point symmetry operation' ? ? 0.80901699 -0.46708618 -0.35682209 0.00000 0.11026409 -0.47568366 0.87267800 0.00000 +-0.57735027 -0.74535599 -0.33333333 0.00000 +47 'point symmetry operation' ? ? 0.30901699 0.17841104 -0.93417236 0.00000 0.17841104 -0.97568366 -0.12732200 0.00000 +-0.93417236 -0.12732200 -0.33333333 0.00000 +48 'point symmetry operation' ? ? 0.00000000 0.93417236 -0.35682209 0.00000 -0.35682209 -0.33333333 -0.87267800 0.00000 +-0.93417236 0.12732200 0.33333333 0.00000 +49 'point symmetry operation' ? ? 0.30901699 0.75576131 0.57735027 0.00000 -0.75576131 0.56366100 -0.33333333 0.00000 +-0.57735027 -0.33333333 0.74535599 0.00000 +50 'point symmetry operation' ? ? 0.80901699 -0.11026409 0.57735027 0.00000 -0.46708618 0.47568366 0.74535599 0.00000 +-0.35682209 -0.87267800 0.33333333 0.00000 +51 'point symmetry operation' ? ? 0.00000000 -0.93417236 0.35682209 0.00000 0.35682209 -0.33333333 -0.87267800 0.00000 +0.93417236 0.12732200 0.33333333 0.00000 +52 'point symmetry operation' ? ? -0.30901699 -0.75576131 -0.57735027 0.00000 -0.17841104 0.64235033 -0.74535599 0.00000 +0.93417236 -0.12732200 -0.33333333 0.00000 +53 'point symmetry operation' ? ? -0.80901699 0.11026409 -0.57735027 0.00000 -0.11026409 0.93633900 0.33333333 0.00000 +0.57735027 0.33333333 -0.74535599 0.00000 +54 'point symmetry operation' ? ? -0.80901699 0.46708618 0.35682209 0.00000 0.46708618 0.14235033 0.87267800 0.00000 +0.35682209 0.87267800 -0.33333333 0.00000 +55 'point symmetry operation' ? ? -0.30901699 -0.17841104 0.93417236 0.00000 0.75576131 -0.64235033 0.12732200 0.00000 +0.57735027 0.74535599 0.33333333 0.00000 +56 'point symmetry operation' ? ? -0.50000000 0.64549722 -0.57735027 0.00000 -0.64549722 0.16666667 0.74535599 0.00000 +0.57735027 0.74535599 0.33333333 0.00000 +57 'point symmetry operation' ? ? -0.30901699 0.75576131 0.57735027 0.00000 -0.17841104 -0.64235033 0.74535599 0.00000 +0.93417236 0.12732200 0.33333333 0.00000 +58 'point symmetry operation' ? ? 0.30901699 -0.17841104 0.93417236 0.00000 -0.17841104 -0.97568366 -0.12732200 0.00000 +0.93417236 -0.12732200 -0.33333333 0.00000 +59 'point symmetry operation' ? ? 0.50000000 -0.86602540 0.00000000 0.00000 -0.64549722 -0.37267800 -0.66666667 0.00000 +0.57735027 0.33333333 -0.74535599 0.00000 +60 'point symmetry operation' ? ? 0.00000000 -0.35682209 -0.93417236 0.00000 -0.93417236 0.33333333 -0.12732200 0.00000 +0.35682209 0.87267800 -0.33333333 0.00000 +# +_pdbx_point_symmetry.entry_id 2C4Q +_pdbx_point_symmetry.Schoenflies_symbol I +# +loop_ +_pdbx_audit_revision_history.ordinal +_pdbx_audit_revision_history.data_content_type +_pdbx_audit_revision_history.major_revision +_pdbx_audit_revision_history.minor_revision +_pdbx_audit_revision_history.revision_date +1 'Structure model' 1 0 2005-11-07 +2 'Structure model' 1 1 2019-10-09 +3 'Structure model' 1 2 2023-12-13 +# +_pdbx_audit_revision_details.ordinal 1 +_pdbx_audit_revision_details.revision_ordinal 1 +_pdbx_audit_revision_details.data_content_type 'Structure model' +_pdbx_audit_revision_details.provider repository +_pdbx_audit_revision_details.type 'Initial release' +_pdbx_audit_revision_details.description ? +_pdbx_audit_revision_details.details ? +# +loop_ +_pdbx_audit_revision_group.ordinal +_pdbx_audit_revision_group.revision_ordinal +_pdbx_audit_revision_group.data_content_type +_pdbx_audit_revision_group.group +1 2 'Structure model' 'Data collection' +2 2 'Structure model' 'Database references' +3 2 'Structure model' 'Derived calculations' +4 2 'Structure model' Other +5 3 'Structure model' 'Data collection' +6 3 'Structure model' 'Database references' +7 3 'Structure model' 'Derived calculations' +8 3 'Structure model' 'Refinement description' +# +loop_ +_pdbx_audit_revision_category.ordinal +_pdbx_audit_revision_category.revision_ordinal +_pdbx_audit_revision_category.data_content_type +_pdbx_audit_revision_category.category +1 2 'Structure model' citation +2 2 'Structure model' pdbx_database_status +3 2 'Structure model' struct_conn +4 3 'Structure model' chem_comp_atom +5 3 'Structure model' chem_comp_bond +6 3 'Structure model' database_2 +7 3 'Structure model' pdbx_initial_refinement_model +8 3 'Structure model' pdbx_struct_oper_list +# +loop_ +_pdbx_audit_revision_item.ordinal +_pdbx_audit_revision_item.revision_ordinal +_pdbx_audit_revision_item.data_content_type +_pdbx_audit_revision_item.item +1 2 'Structure model' '_citation.journal_abbrev' +2 2 'Structure model' '_citation.page_last' +3 2 'Structure model' '_citation.title' +4 2 'Structure model' '_pdbx_database_status.status_code_sf' +5 2 'Structure model' '_struct_conn.pdbx_leaving_atom_flag' +6 3 'Structure model' '_database_2.pdbx_DOI' +7 3 'Structure model' '_database_2.pdbx_database_accession' +8 3 'Structure model' '_pdbx_struct_oper_list.name' +9 3 'Structure model' '_pdbx_struct_oper_list.symmetry_operation' +10 3 'Structure model' '_pdbx_struct_oper_list.type' +# +loop_ +_software.name +_software.classification +_software.version +_software.citation_id +_software.pdbx_ordinal +CNS refinement 1.0 ? 1 +DENZO 'data reduction' . ? 2 +SCALEPACK 'data scaling' . ? 3 +CNS phasing . ? 4 +# +_pdbx_validate_rmsd_angle.id 1 +_pdbx_validate_rmsd_angle.PDB_model_num 1 +_pdbx_validate_rmsd_angle.auth_atom_id_1 "C2'" +_pdbx_validate_rmsd_angle.auth_asym_id_1 S +_pdbx_validate_rmsd_angle.auth_comp_id_1 C +_pdbx_validate_rmsd_angle.auth_seq_id_1 2 +_pdbx_validate_rmsd_angle.PDB_ins_code_1 ? +_pdbx_validate_rmsd_angle.label_alt_id_1 ? +_pdbx_validate_rmsd_angle.auth_atom_id_2 "C3'" +_pdbx_validate_rmsd_angle.auth_asym_id_2 S +_pdbx_validate_rmsd_angle.auth_comp_id_2 C +_pdbx_validate_rmsd_angle.auth_seq_id_2 2 +_pdbx_validate_rmsd_angle.PDB_ins_code_2 ? +_pdbx_validate_rmsd_angle.label_alt_id_2 ? +_pdbx_validate_rmsd_angle.auth_atom_id_3 "O3'" +_pdbx_validate_rmsd_angle.auth_asym_id_3 S +_pdbx_validate_rmsd_angle.auth_comp_id_3 C +_pdbx_validate_rmsd_angle.auth_seq_id_3 2 +_pdbx_validate_rmsd_angle.PDB_ins_code_3 ? +_pdbx_validate_rmsd_angle.label_alt_id_3 ? +_pdbx_validate_rmsd_angle.angle_value 123.68 +_pdbx_validate_rmsd_angle.angle_target_value 113.70 +_pdbx_validate_rmsd_angle.angle_deviation 9.98 +_pdbx_validate_rmsd_angle.angle_standard_deviation 1.60 +_pdbx_validate_rmsd_angle.linker_flag N +# +loop_ +_pdbx_validate_torsion.id +_pdbx_validate_torsion.PDB_model_num +_pdbx_validate_torsion.auth_comp_id +_pdbx_validate_torsion.auth_asym_id +_pdbx_validate_torsion.auth_seq_id +_pdbx_validate_torsion.PDB_ins_code +_pdbx_validate_torsion.label_alt_id +_pdbx_validate_torsion.phi +_pdbx_validate_torsion.psi +1 1 SER A 2 ? ? 150.88 115.73 +2 1 ASN A 24 ? ? -172.26 147.69 +3 1 PHE B 25 ? ? -140.88 21.21 +4 1 SER C 2 ? ? -173.70 135.73 +5 1 ASN C 12 ? ? -114.65 69.92 +6 1 SER C 23 ? ? -135.50 -33.96 +7 1 PHE C 25 ? ? -140.84 56.51 +8 1 ASN C 36 ? ? 75.48 -165.21 +9 1 SER C 37 ? ? -39.83 124.65 +# +loop_ +_pdbx_validate_chiral.id +_pdbx_validate_chiral.PDB_model_num +_pdbx_validate_chiral.auth_atom_id +_pdbx_validate_chiral.label_alt_id +_pdbx_validate_chiral.auth_asym_id +_pdbx_validate_chiral.auth_comp_id +_pdbx_validate_chiral.auth_seq_id +_pdbx_validate_chiral.PDB_ins_code +_pdbx_validate_chiral.details +_pdbx_validate_chiral.omega +1 1 "C3'" ? R C 2 ? 'WRONG HAND' . +2 1 "C3'" ? S C 2 ? 'WRONG HAND' . +# +loop_ +_pdbx_distant_solvent_atoms.id +_pdbx_distant_solvent_atoms.PDB_model_num +_pdbx_distant_solvent_atoms.auth_atom_id +_pdbx_distant_solvent_atoms.label_alt_id +_pdbx_distant_solvent_atoms.auth_asym_id +_pdbx_distant_solvent_atoms.auth_comp_id +_pdbx_distant_solvent_atoms.auth_seq_id +_pdbx_distant_solvent_atoms.PDB_ins_code +_pdbx_distant_solvent_atoms.neighbor_macromolecule_distance +_pdbx_distant_solvent_atoms.neighbor_ligand_distance +1 1 O ? A HOH 2005 ? 7.03 . +2 1 O ? C HOH 2021 ? 6.54 . +# +loop_ +_pdbx_unobs_or_zero_occ_atoms.id +_pdbx_unobs_or_zero_occ_atoms.PDB_model_num +_pdbx_unobs_or_zero_occ_atoms.polymer_flag +_pdbx_unobs_or_zero_occ_atoms.occupancy_flag +_pdbx_unobs_or_zero_occ_atoms.auth_asym_id +_pdbx_unobs_or_zero_occ_atoms.auth_comp_id +_pdbx_unobs_or_zero_occ_atoms.auth_seq_id +_pdbx_unobs_or_zero_occ_atoms.PDB_ins_code +_pdbx_unobs_or_zero_occ_atoms.auth_atom_id +_pdbx_unobs_or_zero_occ_atoms.label_alt_id +_pdbx_unobs_or_zero_occ_atoms.label_asym_id +_pdbx_unobs_or_zero_occ_atoms.label_comp_id +_pdbx_unobs_or_zero_occ_atoms.label_seq_id +_pdbx_unobs_or_zero_occ_atoms.label_atom_id +1 1 Y 1 R C 2 ? P ? D C 2 P +2 1 Y 1 R C 2 ? OP1 ? D C 2 OP1 +3 1 Y 1 R C 2 ? OP2 ? D C 2 OP2 +4 1 Y 1 S C 2 ? P ? E C 2 P +5 1 Y 1 S C 2 ? OP1 ? E C 2 OP1 +6 1 Y 1 S C 2 ? OP2 ? E C 2 OP2 +# +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 R A 1 ? D A 1 +2 1 Y 1 R U 19 ? D U 19 +3 1 Y 1 S A 1 ? E A 1 +4 1 Y 1 S U 19 ? E U 19 +# +loop_ +_chem_comp_atom.comp_id +_chem_comp_atom.atom_id +_chem_comp_atom.type_symbol +_chem_comp_atom.pdbx_aromatic_flag +_chem_comp_atom.pdbx_stereo_config +_chem_comp_atom.pdbx_ordinal +A OP3 O N N 1 +A P P N N 2 +A OP1 O N N 3 +A OP2 O N N 4 +A "O5'" O N N 5 +A "C5'" C N N 6 +A "C4'" C N R 7 +A "O4'" O N N 8 +A "C3'" C N S 9 +A "O3'" O N N 10 +A "C2'" C N R 11 +A "O2'" O N N 12 +A "C1'" C N R 13 +A N9 N Y N 14 +A C8 C Y N 15 +A N7 N Y N 16 +A C5 C Y N 17 +A C6 C Y N 18 +A N6 N N N 19 +A N1 N Y N 20 +A C2 C Y N 21 +A N3 N Y N 22 +A C4 C Y N 23 +A HOP3 H N N 24 +A HOP2 H N N 25 +A "H5'" H N N 26 +A "H5''" H N N 27 +A "H4'" H N N 28 +A "H3'" H N N 29 +A "HO3'" H N N 30 +A "H2'" H N N 31 +A "HO2'" H N N 32 +A "H1'" H N N 33 +A H8 H N N 34 +A H61 H N N 35 +A H62 H N N 36 +A H2 H N N 37 +ALA N N N N 38 +ALA CA C N S 39 +ALA C C N N 40 +ALA O O N N 41 +ALA CB C N N 42 +ALA OXT O N N 43 +ALA H H N N 44 +ALA H2 H N N 45 +ALA HA H N N 46 +ALA HB1 H N N 47 +ALA HB2 H N N 48 +ALA HB3 H N N 49 +ALA HXT H N N 50 +ARG N N N N 51 +ARG CA C N S 52 +ARG C C N N 53 +ARG O O N N 54 +ARG CB C N N 55 +ARG CG C N N 56 +ARG CD C N N 57 +ARG NE N N N 58 +ARG CZ C N N 59 +ARG NH1 N N N 60 +ARG NH2 N N N 61 +ARG OXT O N N 62 +ARG H H N N 63 +ARG H2 H N N 64 +ARG HA H N N 65 +ARG HB2 H N N 66 +ARG HB3 H N N 67 +ARG HG2 H N N 68 +ARG HG3 H N N 69 +ARG HD2 H N N 70 +ARG HD3 H N N 71 +ARG HE H N N 72 +ARG HH11 H N N 73 +ARG HH12 H N N 74 +ARG HH21 H N N 75 +ARG HH22 H N N 76 +ARG HXT H N N 77 +ASN N N N N 78 +ASN CA C N S 79 +ASN C C N N 80 +ASN O O N N 81 +ASN CB C N N 82 +ASN CG C N N 83 +ASN OD1 O N N 84 +ASN ND2 N N N 85 +ASN OXT O N N 86 +ASN H H N N 87 +ASN H2 H N N 88 +ASN HA H N N 89 +ASN HB2 H N N 90 +ASN HB3 H N N 91 +ASN HD21 H N N 92 +ASN HD22 H N N 93 +ASN HXT H N N 94 +ASP N N N N 95 +ASP CA C N S 96 +ASP C C N N 97 +ASP O O N N 98 +ASP CB C N N 99 +ASP CG C N N 100 +ASP OD1 O N N 101 +ASP OD2 O N N 102 +ASP OXT O N N 103 +ASP H H N N 104 +ASP H2 H N N 105 +ASP HA H N N 106 +ASP HB2 H N N 107 +ASP HB3 H N N 108 +ASP HD2 H N N 109 +ASP HXT H N N 110 +C OP3 O N N 111 +C P P N N 112 +C OP1 O N N 113 +C OP2 O N N 114 +C "O5'" O N N 115 +C "C5'" C N N 116 +C "C4'" C N R 117 +C "O4'" O N N 118 +C "C3'" C N S 119 +C "O3'" O N N 120 +C "C2'" C N R 121 +C "O2'" O N N 122 +C "C1'" C N R 123 +C N1 N N N 124 +C C2 C N N 125 +C O2 O N N 126 +C N3 N N N 127 +C C4 C N N 128 +C N4 N N N 129 +C C5 C N N 130 +C C6 C N N 131 +C HOP3 H N N 132 +C HOP2 H N N 133 +C "H5'" H N N 134 +C "H5''" H N N 135 +C "H4'" H N N 136 +C "H3'" H N N 137 +C "HO3'" H N N 138 +C "H2'" H N N 139 +C "HO2'" H N N 140 +C "H1'" H N N 141 +C H41 H N N 142 +C H42 H N N 143 +C H5 H N N 144 +C H6 H N N 145 +CYS N N N N 146 +CYS CA C N R 147 +CYS C C N N 148 +CYS O O N N 149 +CYS CB C N N 150 +CYS SG S N N 151 +CYS OXT O N N 152 +CYS H H N N 153 +CYS H2 H N N 154 +CYS HA H N N 155 +CYS HB2 H N N 156 +CYS HB3 H N N 157 +CYS HG H N N 158 +CYS HXT H N N 159 +G OP3 O N N 160 +G P P N N 161 +G OP1 O N N 162 +G OP2 O N N 163 +G "O5'" O N N 164 +G "C5'" C N N 165 +G "C4'" C N R 166 +G "O4'" O N N 167 +G "C3'" C N S 168 +G "O3'" O N N 169 +G "C2'" C N R 170 +G "O2'" O N N 171 +G "C1'" C N R 172 +G N9 N Y N 173 +G C8 C Y N 174 +G N7 N Y N 175 +G C5 C Y N 176 +G C6 C N N 177 +G O6 O N N 178 +G N1 N N N 179 +G C2 C N N 180 +G N2 N N N 181 +G N3 N N N 182 +G C4 C Y N 183 +G HOP3 H N N 184 +G HOP2 H N N 185 +G "H5'" H N N 186 +G "H5''" H N N 187 +G "H4'" H N N 188 +G "H3'" H N N 189 +G "HO3'" H N N 190 +G "H2'" H N N 191 +G "HO2'" H N N 192 +G "H1'" H N N 193 +G H8 H N N 194 +G H1 H N N 195 +G H21 H N N 196 +G H22 H N N 197 +GLN N N N N 198 +GLN CA C N S 199 +GLN C C N N 200 +GLN O O N N 201 +GLN CB C N N 202 +GLN CG C N N 203 +GLN CD C N N 204 +GLN OE1 O N N 205 +GLN NE2 N N N 206 +GLN OXT O N N 207 +GLN H H N N 208 +GLN H2 H N N 209 +GLN HA H N N 210 +GLN HB2 H N N 211 +GLN HB3 H N N 212 +GLN HG2 H N N 213 +GLN HG3 H N N 214 +GLN HE21 H N N 215 +GLN HE22 H N N 216 +GLN HXT H N N 217 +GLU N N N N 218 +GLU CA C N S 219 +GLU C C N N 220 +GLU O O N N 221 +GLU CB C N N 222 +GLU CG C N N 223 +GLU CD C N N 224 +GLU OE1 O N N 225 +GLU OE2 O N N 226 +GLU OXT O N N 227 +GLU H H N N 228 +GLU H2 H N N 229 +GLU HA H N N 230 +GLU HB2 H N N 231 +GLU HB3 H N N 232 +GLU HG2 H N N 233 +GLU HG3 H N N 234 +GLU HE2 H N N 235 +GLU HXT H N N 236 +GLY N N N N 237 +GLY CA C N N 238 +GLY C C N N 239 +GLY O O N N 240 +GLY OXT O N N 241 +GLY H H N N 242 +GLY H2 H N N 243 +GLY HA2 H N N 244 +GLY HA3 H N N 245 +GLY HXT H N N 246 +HOH O O N N 247 +HOH H1 H N N 248 +HOH H2 H N N 249 +ILE N N N N 250 +ILE CA C N S 251 +ILE C C N N 252 +ILE O O N N 253 +ILE CB C N S 254 +ILE CG1 C N N 255 +ILE CG2 C N N 256 +ILE CD1 C N N 257 +ILE OXT O N N 258 +ILE H H N N 259 +ILE H2 H N N 260 +ILE HA H N N 261 +ILE HB H N N 262 +ILE HG12 H N N 263 +ILE HG13 H N N 264 +ILE HG21 H N N 265 +ILE HG22 H N N 266 +ILE HG23 H N N 267 +ILE HD11 H N N 268 +ILE HD12 H N N 269 +ILE HD13 H N N 270 +ILE HXT H N N 271 +LEU N N N N 272 +LEU CA C N S 273 +LEU C C N N 274 +LEU O O N N 275 +LEU CB C N N 276 +LEU CG C N N 277 +LEU CD1 C N N 278 +LEU CD2 C N N 279 +LEU OXT O N N 280 +LEU H H N N 281 +LEU H2 H N N 282 +LEU HA H N N 283 +LEU HB2 H N N 284 +LEU HB3 H N N 285 +LEU HG H N N 286 +LEU HD11 H N N 287 +LEU HD12 H N N 288 +LEU HD13 H N N 289 +LEU HD21 H N N 290 +LEU HD22 H N N 291 +LEU HD23 H N N 292 +LEU HXT H N N 293 +LYS N N N N 294 +LYS CA C N S 295 +LYS C C N N 296 +LYS O O N N 297 +LYS CB C N N 298 +LYS CG C N N 299 +LYS CD C N N 300 +LYS CE C N N 301 +LYS NZ N N N 302 +LYS OXT O N N 303 +LYS H H N N 304 +LYS H2 H N N 305 +LYS HA H N N 306 +LYS HB2 H N N 307 +LYS HB3 H N N 308 +LYS HG2 H N N 309 +LYS HG3 H N N 310 +LYS HD2 H N N 311 +LYS HD3 H N N 312 +LYS HE2 H N N 313 +LYS HE3 H N N 314 +LYS HZ1 H N N 315 +LYS HZ2 H N N 316 +LYS HZ3 H N N 317 +LYS HXT H N N 318 +MET N N N N 319 +MET CA C N S 320 +MET C C N N 321 +MET O O N N 322 +MET CB C N N 323 +MET CG C N N 324 +MET SD S N N 325 +MET CE C N N 326 +MET OXT O N N 327 +MET H H N N 328 +MET H2 H N N 329 +MET HA H N N 330 +MET HB2 H N N 331 +MET HB3 H N N 332 +MET HG2 H N N 333 +MET HG3 H N N 334 +MET HE1 H N N 335 +MET HE2 H N N 336 +MET HE3 H N N 337 +MET HXT H N N 338 +PHE N N N N 339 +PHE CA C N S 340 +PHE C C N N 341 +PHE O O N N 342 +PHE CB C N N 343 +PHE CG C Y N 344 +PHE CD1 C Y N 345 +PHE CD2 C Y N 346 +PHE CE1 C Y N 347 +PHE CE2 C Y N 348 +PHE CZ C Y N 349 +PHE OXT O N N 350 +PHE H H N N 351 +PHE H2 H N N 352 +PHE HA H N N 353 +PHE HB2 H N N 354 +PHE HB3 H N N 355 +PHE HD1 H N N 356 +PHE HD2 H N N 357 +PHE HE1 H N N 358 +PHE HE2 H N N 359 +PHE HZ H N N 360 +PHE HXT H N N 361 +PRO N N N N 362 +PRO CA C N S 363 +PRO C C N N 364 +PRO O O N N 365 +PRO CB C N N 366 +PRO CG C N N 367 +PRO CD C N N 368 +PRO OXT O N N 369 +PRO H H N N 370 +PRO HA H N N 371 +PRO HB2 H N N 372 +PRO HB3 H N N 373 +PRO HG2 H N N 374 +PRO HG3 H N N 375 +PRO HD2 H N N 376 +PRO HD3 H N N 377 +PRO HXT H N N 378 +PYO OP3 O N N 379 +PYO P P N N 380 +PYO OP1 O N N 381 +PYO OP2 O N N 382 +PYO "O5'" O N N 383 +PYO "C5'" C N N 384 +PYO "C4'" C N R 385 +PYO "O4'" O N N 386 +PYO "C3'" C N S 387 +PYO "C1'" C N R 388 +PYO "O3'" O N N 389 +PYO "C2'" C N R 390 +PYO "O2'" O N N 391 +PYO N1 N N N 392 +PYO C6 C N N 393 +PYO C2 C N N 394 +PYO C5 C N N 395 +PYO O2 O N N 396 +PYO N3 N N N 397 +PYO C4 C N N 398 +PYO HOP3 H N N 399 +PYO HOP1 H N N 400 +PYO "H5''" H N N 401 +PYO "H5'" H N N 402 +PYO "H4'" H N N 403 +PYO "H3'" H N N 404 +PYO "H1'" H N N 405 +PYO HO3 H N N 406 +PYO "H2'" H N N 407 +PYO HO2 H N N 408 +PYO HC6 H N N 409 +PYO HC5 H N N 410 +PYO HC4 H N N 411 +SER N N N N 412 +SER CA C N S 413 +SER C C N N 414 +SER O O N N 415 +SER CB C N N 416 +SER OG O N N 417 +SER OXT O N N 418 +SER H H N N 419 +SER H2 H N N 420 +SER HA H N N 421 +SER HB2 H N N 422 +SER HB3 H N N 423 +SER HG H N N 424 +SER HXT H N N 425 +THR N N N N 426 +THR CA C N S 427 +THR C C N N 428 +THR O O N N 429 +THR CB C N R 430 +THR OG1 O N N 431 +THR CG2 C N N 432 +THR OXT O N N 433 +THR H H N N 434 +THR H2 H N N 435 +THR HA H N N 436 +THR HB H N N 437 +THR HG1 H N N 438 +THR HG21 H N N 439 +THR HG22 H N N 440 +THR HG23 H N N 441 +THR HXT H N N 442 +TRP N N N N 443 +TRP CA C N S 444 +TRP C C N N 445 +TRP O O N N 446 +TRP CB C N N 447 +TRP CG C Y N 448 +TRP CD1 C Y N 449 +TRP CD2 C Y N 450 +TRP NE1 N Y N 451 +TRP CE2 C Y N 452 +TRP CE3 C Y N 453 +TRP CZ2 C Y N 454 +TRP CZ3 C Y N 455 +TRP CH2 C Y N 456 +TRP OXT O N N 457 +TRP H H N N 458 +TRP H2 H N N 459 +TRP HA H N N 460 +TRP HB2 H N N 461 +TRP HB3 H N N 462 +TRP HD1 H N N 463 +TRP HE1 H N N 464 +TRP HE3 H N N 465 +TRP HZ2 H N N 466 +TRP HZ3 H N N 467 +TRP HH2 H N N 468 +TRP HXT H N N 469 +TYR N N N N 470 +TYR CA C N S 471 +TYR C C N N 472 +TYR O O N N 473 +TYR CB C N N 474 +TYR CG C Y N 475 +TYR CD1 C Y N 476 +TYR CD2 C Y N 477 +TYR CE1 C Y N 478 +TYR CE2 C Y N 479 +TYR CZ C Y N 480 +TYR OH O N N 481 +TYR OXT O N N 482 +TYR H H N N 483 +TYR H2 H N N 484 +TYR HA H N N 485 +TYR HB2 H N N 486 +TYR HB3 H N N 487 +TYR HD1 H N N 488 +TYR HD2 H N N 489 +TYR HE1 H N N 490 +TYR HE2 H N N 491 +TYR HH H N N 492 +TYR HXT H N N 493 +U OP3 O N N 494 +U P P N N 495 +U OP1 O N N 496 +U OP2 O N N 497 +U "O5'" O N N 498 +U "C5'" C N N 499 +U "C4'" C N R 500 +U "O4'" O N N 501 +U "C3'" C N S 502 +U "O3'" O N N 503 +U "C2'" C N R 504 +U "O2'" O N N 505 +U "C1'" C N R 506 +U N1 N N N 507 +U C2 C N N 508 +U O2 O N N 509 +U N3 N N N 510 +U C4 C N N 511 +U O4 O N N 512 +U C5 C N N 513 +U C6 C N N 514 +U HOP3 H N N 515 +U HOP2 H N N 516 +U "H5'" H N N 517 +U "H5''" H N N 518 +U "H4'" H N N 519 +U "H3'" H N N 520 +U "HO3'" H N N 521 +U "H2'" H N N 522 +U "HO2'" H N N 523 +U "H1'" H N N 524 +U H3 H N N 525 +U H5 H N N 526 +U H6 H N N 527 +VAL N N N N 528 +VAL CA C N S 529 +VAL C C N N 530 +VAL O O N N 531 +VAL CB C N N 532 +VAL CG1 C N N 533 +VAL CG2 C N N 534 +VAL OXT O N N 535 +VAL H H N N 536 +VAL H2 H N N 537 +VAL HA H N N 538 +VAL HB H N N 539 +VAL HG11 H N N 540 +VAL HG12 H N N 541 +VAL HG13 H N N 542 +VAL HG21 H N N 543 +VAL HG22 H N N 544 +VAL HG23 H N N 545 +VAL HXT H N N 546 +# +loop_ +_chem_comp_bond.comp_id +_chem_comp_bond.atom_id_1 +_chem_comp_bond.atom_id_2 +_chem_comp_bond.value_order +_chem_comp_bond.pdbx_aromatic_flag +_chem_comp_bond.pdbx_stereo_config +_chem_comp_bond.pdbx_ordinal +A OP3 P sing N N 1 +A OP3 HOP3 sing N N 2 +A P OP1 doub N N 3 +A P OP2 sing N N 4 +A P "O5'" sing N N 5 +A OP2 HOP2 sing N N 6 +A "O5'" "C5'" sing N N 7 +A "C5'" "C4'" sing N N 8 +A "C5'" "H5'" sing N N 9 +A "C5'" "H5''" sing N N 10 +A "C4'" "O4'" sing N N 11 +A "C4'" "C3'" sing N N 12 +A "C4'" "H4'" sing N N 13 +A "O4'" "C1'" sing N N 14 +A "C3'" "O3'" sing N N 15 +A "C3'" "C2'" sing N N 16 +A "C3'" "H3'" sing N N 17 +A "O3'" "HO3'" sing N N 18 +A "C2'" "O2'" sing N N 19 +A "C2'" "C1'" sing N N 20 +A "C2'" "H2'" sing N N 21 +A "O2'" "HO2'" sing N N 22 +A "C1'" N9 sing N N 23 +A "C1'" "H1'" sing N N 24 +A N9 C8 sing Y N 25 +A N9 C4 sing Y N 26 +A C8 N7 doub Y N 27 +A C8 H8 sing N N 28 +A N7 C5 sing Y N 29 +A C5 C6 sing Y N 30 +A C5 C4 doub Y N 31 +A C6 N6 sing N N 32 +A C6 N1 doub Y N 33 +A N6 H61 sing N N 34 +A N6 H62 sing N N 35 +A N1 C2 sing Y N 36 +A C2 N3 doub Y N 37 +A C2 H2 sing N N 38 +A N3 C4 sing Y N 39 +ALA N CA sing N N 40 +ALA N H sing N N 41 +ALA N H2 sing N N 42 +ALA CA C sing N N 43 +ALA CA CB sing N N 44 +ALA CA HA sing N N 45 +ALA C O doub N N 46 +ALA C OXT sing N N 47 +ALA CB HB1 sing N N 48 +ALA CB HB2 sing N N 49 +ALA CB HB3 sing N N 50 +ALA OXT HXT sing N N 51 +ARG N CA sing N N 52 +ARG N H sing N N 53 +ARG N H2 sing N N 54 +ARG CA C sing N N 55 +ARG CA CB sing N N 56 +ARG CA HA sing N N 57 +ARG C O doub N N 58 +ARG C OXT sing N N 59 +ARG CB CG sing N N 60 +ARG CB HB2 sing N N 61 +ARG CB HB3 sing N N 62 +ARG CG CD sing N N 63 +ARG CG HG2 sing N N 64 +ARG CG HG3 sing N N 65 +ARG CD NE sing N N 66 +ARG CD HD2 sing N N 67 +ARG CD HD3 sing N N 68 +ARG NE CZ sing N N 69 +ARG NE HE sing N N 70 +ARG CZ NH1 sing N N 71 +ARG CZ NH2 doub N N 72 +ARG NH1 HH11 sing N N 73 +ARG NH1 HH12 sing N N 74 +ARG NH2 HH21 sing N N 75 +ARG NH2 HH22 sing N N 76 +ARG OXT HXT sing N N 77 +ASN N CA sing N N 78 +ASN N H sing N N 79 +ASN N H2 sing N N 80 +ASN CA C sing N N 81 +ASN CA CB sing N N 82 +ASN CA HA sing N N 83 +ASN C O doub N N 84 +ASN C OXT sing N N 85 +ASN CB CG sing N N 86 +ASN CB HB2 sing N N 87 +ASN CB HB3 sing N N 88 +ASN CG OD1 doub N N 89 +ASN CG ND2 sing N N 90 +ASN ND2 HD21 sing N N 91 +ASN ND2 HD22 sing N N 92 +ASN OXT HXT sing N N 93 +ASP N CA sing N N 94 +ASP N H sing N N 95 +ASP N H2 sing N N 96 +ASP CA C sing N N 97 +ASP CA CB sing N N 98 +ASP CA HA sing N N 99 +ASP C O doub N N 100 +ASP C OXT sing N N 101 +ASP CB CG sing N N 102 +ASP CB HB2 sing N N 103 +ASP CB HB3 sing N N 104 +ASP CG OD1 doub N N 105 +ASP CG OD2 sing N N 106 +ASP OD2 HD2 sing N N 107 +ASP OXT HXT sing N N 108 +C OP3 P sing N N 109 +C OP3 HOP3 sing N N 110 +C P OP1 doub N N 111 +C P OP2 sing N N 112 +C P "O5'" sing N N 113 +C OP2 HOP2 sing N N 114 +C "O5'" "C5'" sing N N 115 +C "C5'" "C4'" sing N N 116 +C "C5'" "H5'" sing N N 117 +C "C5'" "H5''" sing N N 118 +C "C4'" "O4'" sing N N 119 +C "C4'" "C3'" sing N N 120 +C "C4'" "H4'" sing N N 121 +C "O4'" "C1'" sing N N 122 +C "C3'" "O3'" sing N N 123 +C "C3'" "C2'" sing N N 124 +C "C3'" "H3'" sing N N 125 +C "O3'" "HO3'" sing N N 126 +C "C2'" "O2'" sing N N 127 +C "C2'" "C1'" sing N N 128 +C "C2'" "H2'" sing N N 129 +C "O2'" "HO2'" sing N N 130 +C "C1'" N1 sing N N 131 +C "C1'" "H1'" sing N N 132 +C N1 C2 sing N N 133 +C N1 C6 sing N N 134 +C C2 O2 doub N N 135 +C C2 N3 sing N N 136 +C N3 C4 doub N N 137 +C C4 N4 sing N N 138 +C C4 C5 sing N N 139 +C N4 H41 sing N N 140 +C N4 H42 sing N N 141 +C C5 C6 doub N N 142 +C C5 H5 sing N N 143 +C C6 H6 sing N N 144 +CYS N CA sing N N 145 +CYS N H sing N N 146 +CYS N H2 sing N N 147 +CYS CA C sing N N 148 +CYS CA CB sing N N 149 +CYS CA HA sing N N 150 +CYS C O doub N N 151 +CYS C OXT sing N N 152 +CYS CB SG sing N N 153 +CYS CB HB2 sing N N 154 +CYS CB HB3 sing N N 155 +CYS SG HG sing N N 156 +CYS OXT HXT sing N N 157 +G OP3 P sing N N 158 +G OP3 HOP3 sing N N 159 +G P OP1 doub N N 160 +G P OP2 sing N N 161 +G P "O5'" sing N N 162 +G OP2 HOP2 sing N N 163 +G "O5'" "C5'" sing N N 164 +G "C5'" "C4'" sing N N 165 +G "C5'" "H5'" sing N N 166 +G "C5'" "H5''" sing N N 167 +G "C4'" "O4'" sing N N 168 +G "C4'" "C3'" sing N N 169 +G "C4'" "H4'" sing N N 170 +G "O4'" "C1'" sing N N 171 +G "C3'" "O3'" sing N N 172 +G "C3'" "C2'" sing N N 173 +G "C3'" "H3'" sing N N 174 +G "O3'" "HO3'" sing N N 175 +G "C2'" "O2'" sing N N 176 +G "C2'" "C1'" sing N N 177 +G "C2'" "H2'" sing N N 178 +G "O2'" "HO2'" sing N N 179 +G "C1'" N9 sing N N 180 +G "C1'" "H1'" sing N N 181 +G N9 C8 sing Y N 182 +G N9 C4 sing Y N 183 +G C8 N7 doub Y N 184 +G C8 H8 sing N N 185 +G N7 C5 sing Y N 186 +G C5 C6 sing N N 187 +G C5 C4 doub Y N 188 +G C6 O6 doub N N 189 +G C6 N1 sing N N 190 +G N1 C2 sing N N 191 +G N1 H1 sing N N 192 +G C2 N2 sing N N 193 +G C2 N3 doub N N 194 +G N2 H21 sing N N 195 +G N2 H22 sing N N 196 +G N3 C4 sing N N 197 +GLN N CA sing N N 198 +GLN N H sing N N 199 +GLN N H2 sing N N 200 +GLN CA C sing N N 201 +GLN CA CB sing N N 202 +GLN CA HA sing N N 203 +GLN C O doub N N 204 +GLN C OXT sing N N 205 +GLN CB CG sing N N 206 +GLN CB HB2 sing N N 207 +GLN CB HB3 sing N N 208 +GLN CG CD sing N N 209 +GLN CG HG2 sing N N 210 +GLN CG HG3 sing N N 211 +GLN CD OE1 doub N N 212 +GLN CD NE2 sing N N 213 +GLN NE2 HE21 sing N N 214 +GLN NE2 HE22 sing N N 215 +GLN OXT HXT sing N N 216 +GLU N CA sing N N 217 +GLU N H sing N N 218 +GLU N H2 sing N N 219 +GLU CA C sing N N 220 +GLU CA CB sing N N 221 +GLU CA HA sing N N 222 +GLU C O doub N N 223 +GLU C OXT sing N N 224 +GLU CB CG sing N N 225 +GLU CB HB2 sing N N 226 +GLU CB HB3 sing N N 227 +GLU CG CD sing N N 228 +GLU CG HG2 sing N N 229 +GLU CG HG3 sing N N 230 +GLU CD OE1 doub N N 231 +GLU CD OE2 sing N N 232 +GLU OE2 HE2 sing N N 233 +GLU OXT HXT sing N N 234 +GLY N CA sing N N 235 +GLY N H sing N N 236 +GLY N H2 sing N N 237 +GLY CA C sing N N 238 +GLY CA HA2 sing N N 239 +GLY CA HA3 sing N N 240 +GLY C O doub N N 241 +GLY C OXT sing N N 242 +GLY OXT HXT sing N N 243 +HOH O H1 sing N N 244 +HOH O H2 sing N N 245 +ILE N CA sing N N 246 +ILE N H sing N N 247 +ILE N H2 sing N N 248 +ILE CA C sing N N 249 +ILE CA CB sing N N 250 +ILE CA HA sing N N 251 +ILE C O doub N N 252 +ILE C OXT sing N N 253 +ILE CB CG1 sing N N 254 +ILE CB CG2 sing N N 255 +ILE CB HB sing N N 256 +ILE CG1 CD1 sing N N 257 +ILE CG1 HG12 sing N N 258 +ILE CG1 HG13 sing N N 259 +ILE CG2 HG21 sing N N 260 +ILE CG2 HG22 sing N N 261 +ILE CG2 HG23 sing N N 262 +ILE CD1 HD11 sing N N 263 +ILE CD1 HD12 sing N N 264 +ILE CD1 HD13 sing N N 265 +ILE OXT HXT sing N N 266 +LEU N CA sing N N 267 +LEU N H sing N N 268 +LEU N H2 sing N N 269 +LEU CA C sing N N 270 +LEU CA CB sing N N 271 +LEU CA HA sing N N 272 +LEU C O doub N N 273 +LEU C OXT sing N N 274 +LEU CB CG sing N N 275 +LEU CB HB2 sing N N 276 +LEU CB HB3 sing N N 277 +LEU CG CD1 sing N N 278 +LEU CG CD2 sing N N 279 +LEU CG HG sing N N 280 +LEU CD1 HD11 sing N N 281 +LEU CD1 HD12 sing N N 282 +LEU CD1 HD13 sing N N 283 +LEU CD2 HD21 sing N N 284 +LEU CD2 HD22 sing N N 285 +LEU CD2 HD23 sing N N 286 +LEU OXT HXT sing N N 287 +LYS N CA sing N N 288 +LYS N H sing N N 289 +LYS N H2 sing N N 290 +LYS CA C sing N N 291 +LYS CA CB sing N N 292 +LYS CA HA sing N N 293 +LYS C O doub N N 294 +LYS C OXT sing N N 295 +LYS CB CG sing N N 296 +LYS CB HB2 sing N N 297 +LYS CB HB3 sing N N 298 +LYS CG CD sing N N 299 +LYS CG HG2 sing N N 300 +LYS CG HG3 sing N N 301 +LYS CD CE sing N N 302 +LYS CD HD2 sing N N 303 +LYS CD HD3 sing N N 304 +LYS CE NZ sing N N 305 +LYS CE HE2 sing N N 306 +LYS CE HE3 sing N N 307 +LYS NZ HZ1 sing N N 308 +LYS NZ HZ2 sing N N 309 +LYS NZ HZ3 sing N N 310 +LYS OXT HXT sing N N 311 +MET N CA sing N N 312 +MET N H sing N N 313 +MET N H2 sing N N 314 +MET CA C sing N N 315 +MET CA CB sing N N 316 +MET CA HA sing N N 317 +MET C O doub N N 318 +MET C OXT sing N N 319 +MET CB CG sing N N 320 +MET CB HB2 sing N N 321 +MET CB HB3 sing N N 322 +MET CG SD sing N N 323 +MET CG HG2 sing N N 324 +MET CG HG3 sing N N 325 +MET SD CE sing N N 326 +MET CE HE1 sing N N 327 +MET CE HE2 sing N N 328 +MET CE HE3 sing N N 329 +MET OXT HXT sing N N 330 +PHE N CA sing N N 331 +PHE N H sing N N 332 +PHE N H2 sing N N 333 +PHE CA C sing N N 334 +PHE CA CB sing N N 335 +PHE CA HA sing N N 336 +PHE C O doub N N 337 +PHE C OXT sing N N 338 +PHE CB CG sing N N 339 +PHE CB HB2 sing N N 340 +PHE CB HB3 sing N N 341 +PHE CG CD1 doub Y N 342 +PHE CG CD2 sing Y N 343 +PHE CD1 CE1 sing Y N 344 +PHE CD1 HD1 sing N N 345 +PHE CD2 CE2 doub Y N 346 +PHE CD2 HD2 sing N N 347 +PHE CE1 CZ doub Y N 348 +PHE CE1 HE1 sing N N 349 +PHE CE2 CZ sing Y N 350 +PHE CE2 HE2 sing N N 351 +PHE CZ HZ sing N N 352 +PHE OXT HXT sing N N 353 +PRO N CA sing N N 354 +PRO N CD sing N N 355 +PRO N H sing N N 356 +PRO CA C sing N N 357 +PRO CA CB sing N N 358 +PRO CA HA sing N N 359 +PRO C O doub N N 360 +PRO C OXT sing N N 361 +PRO CB CG sing N N 362 +PRO CB HB2 sing N N 363 +PRO CB HB3 sing N N 364 +PRO CG CD sing N N 365 +PRO CG HG2 sing N N 366 +PRO CG HG3 sing N N 367 +PRO CD HD2 sing N N 368 +PRO CD HD3 sing N N 369 +PRO OXT HXT sing N N 370 +PYO OP3 P sing N N 371 +PYO OP3 HOP3 sing N N 372 +PYO P OP1 sing N N 373 +PYO P OP2 doub N N 374 +PYO P "O5'" sing N N 375 +PYO OP1 HOP1 sing N N 376 +PYO "O5'" "C5'" sing N N 377 +PYO "C5'" "C4'" sing N N 378 +PYO "C5'" "H5''" sing N N 379 +PYO "C5'" "H5'" sing N N 380 +PYO "C4'" "O4'" sing N N 381 +PYO "C4'" "C3'" sing N N 382 +PYO "C4'" "H4'" sing N N 383 +PYO "O4'" "C1'" sing N N 384 +PYO "C3'" "O3'" sing N N 385 +PYO "C3'" "C2'" sing N N 386 +PYO "C3'" "H3'" sing N N 387 +PYO "C1'" "C2'" sing N N 388 +PYO "C1'" N1 sing N N 389 +PYO "C1'" "H1'" sing N N 390 +PYO "O3'" HO3 sing N N 391 +PYO "C2'" "O2'" sing N N 392 +PYO "C2'" "H2'" sing N N 393 +PYO "O2'" HO2 sing N N 394 +PYO N1 C6 sing N N 395 +PYO N1 C2 sing N N 396 +PYO C6 C5 doub N N 397 +PYO C6 HC6 sing N N 398 +PYO C2 O2 doub N N 399 +PYO C2 N3 sing N N 400 +PYO C5 C4 sing N N 401 +PYO C5 HC5 sing N N 402 +PYO N3 C4 doub N N 403 +PYO C4 HC4 sing N N 404 +SER N CA sing N N 405 +SER N H sing N N 406 +SER N H2 sing N N 407 +SER CA C sing N N 408 +SER CA CB sing N N 409 +SER CA HA sing N N 410 +SER C O doub N N 411 +SER C OXT sing N N 412 +SER CB OG sing N N 413 +SER CB HB2 sing N N 414 +SER CB HB3 sing N N 415 +SER OG HG sing N N 416 +SER OXT HXT sing N N 417 +THR N CA sing N N 418 +THR N H sing N N 419 +THR N H2 sing N N 420 +THR CA C sing N N 421 +THR CA CB sing N N 422 +THR CA HA sing N N 423 +THR C O doub N N 424 +THR C OXT sing N N 425 +THR CB OG1 sing N N 426 +THR CB CG2 sing N N 427 +THR CB HB sing N N 428 +THR OG1 HG1 sing N N 429 +THR CG2 HG21 sing N N 430 +THR CG2 HG22 sing N N 431 +THR CG2 HG23 sing N N 432 +THR OXT HXT sing N N 433 +TRP N CA sing N N 434 +TRP N H sing N N 435 +TRP N H2 sing N N 436 +TRP CA C sing N N 437 +TRP CA CB sing N N 438 +TRP CA HA sing N N 439 +TRP C O doub N N 440 +TRP C OXT sing N N 441 +TRP CB CG sing N N 442 +TRP CB HB2 sing N N 443 +TRP CB HB3 sing N N 444 +TRP CG CD1 doub Y N 445 +TRP CG CD2 sing Y N 446 +TRP CD1 NE1 sing Y N 447 +TRP CD1 HD1 sing N N 448 +TRP CD2 CE2 doub Y N 449 +TRP CD2 CE3 sing Y N 450 +TRP NE1 CE2 sing Y N 451 +TRP NE1 HE1 sing N N 452 +TRP CE2 CZ2 sing Y N 453 +TRP CE3 CZ3 doub Y N 454 +TRP CE3 HE3 sing N N 455 +TRP CZ2 CH2 doub Y N 456 +TRP CZ2 HZ2 sing N N 457 +TRP CZ3 CH2 sing Y N 458 +TRP CZ3 HZ3 sing N N 459 +TRP CH2 HH2 sing N N 460 +TRP OXT HXT sing N N 461 +TYR N CA sing N N 462 +TYR N H sing N N 463 +TYR N H2 sing N N 464 +TYR CA C sing N N 465 +TYR CA CB sing N N 466 +TYR CA HA sing N N 467 +TYR C O doub N N 468 +TYR C OXT sing N N 469 +TYR CB CG sing N N 470 +TYR CB HB2 sing N N 471 +TYR CB HB3 sing N N 472 +TYR CG CD1 doub Y N 473 +TYR CG CD2 sing Y N 474 +TYR CD1 CE1 sing Y N 475 +TYR CD1 HD1 sing N N 476 +TYR CD2 CE2 doub Y N 477 +TYR CD2 HD2 sing N N 478 +TYR CE1 CZ doub Y N 479 +TYR CE1 HE1 sing N N 480 +TYR CE2 CZ sing Y N 481 +TYR CE2 HE2 sing N N 482 +TYR CZ OH sing N N 483 +TYR OH HH sing N N 484 +TYR OXT HXT sing N N 485 +U OP3 P sing N N 486 +U OP3 HOP3 sing N N 487 +U P OP1 doub N N 488 +U P OP2 sing N N 489 +U P "O5'" sing N N 490 +U OP2 HOP2 sing N N 491 +U "O5'" "C5'" sing N N 492 +U "C5'" "C4'" sing N N 493 +U "C5'" "H5'" sing N N 494 +U "C5'" "H5''" sing N N 495 +U "C4'" "O4'" sing N N 496 +U "C4'" "C3'" sing N N 497 +U "C4'" "H4'" sing N N 498 +U "O4'" "C1'" sing N N 499 +U "C3'" "O3'" sing N N 500 +U "C3'" "C2'" sing N N 501 +U "C3'" "H3'" sing N N 502 +U "O3'" "HO3'" sing N N 503 +U "C2'" "O2'" sing N N 504 +U "C2'" "C1'" sing N N 505 +U "C2'" "H2'" sing N N 506 +U "O2'" "HO2'" sing N N 507 +U "C1'" N1 sing N N 508 +U "C1'" "H1'" sing N N 509 +U N1 C2 sing N N 510 +U N1 C6 sing N N 511 +U C2 O2 doub N N 512 +U C2 N3 sing N N 513 +U N3 C4 sing N N 514 +U N3 H3 sing N N 515 +U C4 O4 doub N N 516 +U C4 C5 sing N N 517 +U C5 C6 doub N N 518 +U C5 H5 sing N N 519 +U C6 H6 sing N N 520 +VAL N CA sing N N 521 +VAL N H sing N N 522 +VAL N H2 sing N N 523 +VAL CA C sing N N 524 +VAL CA CB sing N N 525 +VAL CA HA sing N N 526 +VAL C O doub N N 527 +VAL C OXT sing N N 528 +VAL CB CG1 sing N N 529 +VAL CB CG2 sing N N 530 +VAL CB HB sing N N 531 +VAL CG1 HG11 sing N N 532 +VAL CG1 HG12 sing N N 533 +VAL CG1 HG13 sing N N 534 +VAL CG2 HG21 sing N N 535 +VAL CG2 HG22 sing N N 536 +VAL CG2 HG23 sing N N 537 +VAL OXT HXT sing N N 538 +# +_ndb_struct_conf_na.entry_id 2C4Q +_ndb_struct_conf_na.feature 'a-form double helix' +# +loop_ +_ndb_struct_na_base_pair.model_number +_ndb_struct_na_base_pair.i_label_asym_id +_ndb_struct_na_base_pair.i_label_comp_id +_ndb_struct_na_base_pair.i_label_seq_id +_ndb_struct_na_base_pair.i_symmetry +_ndb_struct_na_base_pair.j_label_asym_id +_ndb_struct_na_base_pair.j_label_comp_id +_ndb_struct_na_base_pair.j_label_seq_id +_ndb_struct_na_base_pair.j_symmetry +_ndb_struct_na_base_pair.shear +_ndb_struct_na_base_pair.stretch +_ndb_struct_na_base_pair.stagger +_ndb_struct_na_base_pair.buckle +_ndb_struct_na_base_pair.propeller +_ndb_struct_na_base_pair.opening +_ndb_struct_na_base_pair.pair_number +_ndb_struct_na_base_pair.pair_name +_ndb_struct_na_base_pair.i_auth_asym_id +_ndb_struct_na_base_pair.i_auth_seq_id +_ndb_struct_na_base_pair.i_PDB_ins_code +_ndb_struct_na_base_pair.j_auth_asym_id +_ndb_struct_na_base_pair.j_auth_seq_id +_ndb_struct_na_base_pair.j_PDB_ins_code +_ndb_struct_na_base_pair.hbond_type_28 +_ndb_struct_na_base_pair.hbond_type_12 +1 D C 2 1_555 D G 18 1_555 -1.414 -0.181 0.245 6.626 -13.734 -6.563 1 R_C2:G18_R R 2 ? R 18 ? 19 1 +1 D A 3 1_555 D U 17 1_555 -0.017 -0.176 0.353 4.875 -15.547 -1.906 2 R_A3:U17_R R 3 ? R 17 ? 20 1 +1 D U 4 1_555 D A 16 1_555 0.288 -0.214 0.189 -3.895 -13.555 2.951 3 R_U4:A16_R R 4 ? R 16 ? 20 1 +1 D G 5 1_555 D C 15 1_555 -0.224 -0.177 0.111 4.785 -5.323 -0.982 4 R_G5:C15_R R 5 ? R 15 ? 19 1 +1 D G 7 1_555 D C 14 1_555 -0.556 -0.184 0.152 -2.805 -8.061 1.894 5 R_G7:C14_R R 7 ? R 14 ? 19 1 +1 D G 8 1_555 D C 13 1_555 -0.566 -0.104 0.090 0.518 1.081 3.094 6 R_G8:C13_R R 8 ? R 13 ? 19 1 +1 E C 2 1_555 E G 18 1_555 -1.800 0.283 0.152 9.766 -24.101 -6.581 7 S_C2:G18_S S 2 ? S 18 ? 19 1 +1 E A 3 1_555 E U 17 1_555 -0.980 0.529 -0.225 -2.314 -17.064 1.875 8 S_A3:U17_S S 3 ? S 17 ? ? ? +1 E U 4 1_555 E A 16 1_555 0.156 -0.027 -0.331 3.695 -18.119 1.941 9 S_U4:A16_S S 4 ? S 16 ? 20 1 +1 E G 5 1_555 E C 15 1_555 -0.671 -0.223 0.292 2.519 -4.724 -1.219 10 S_G5:C15_S S 5 ? S 15 ? 19 1 +1 E G 7 1_555 E C 14 1_555 -0.254 0.567 -0.019 -2.937 -12.218 11.199 11 S_G7:C14_S S 7 ? S 14 ? ? 1 +1 E G 8 1_555 E C 13 1_555 0.087 0.332 -0.416 -4.497 -4.292 -2.204 12 S_G8:C13_S S 8 ? S 13 ? 19 1 +# +loop_ +_ndb_struct_na_base_pair_step.model_number +_ndb_struct_na_base_pair_step.i_label_asym_id_1 +_ndb_struct_na_base_pair_step.i_label_comp_id_1 +_ndb_struct_na_base_pair_step.i_label_seq_id_1 +_ndb_struct_na_base_pair_step.i_symmetry_1 +_ndb_struct_na_base_pair_step.j_label_asym_id_1 +_ndb_struct_na_base_pair_step.j_label_comp_id_1 +_ndb_struct_na_base_pair_step.j_label_seq_id_1 +_ndb_struct_na_base_pair_step.j_symmetry_1 +_ndb_struct_na_base_pair_step.i_label_asym_id_2 +_ndb_struct_na_base_pair_step.i_label_comp_id_2 +_ndb_struct_na_base_pair_step.i_label_seq_id_2 +_ndb_struct_na_base_pair_step.i_symmetry_2 +_ndb_struct_na_base_pair_step.j_label_asym_id_2 +_ndb_struct_na_base_pair_step.j_label_comp_id_2 +_ndb_struct_na_base_pair_step.j_label_seq_id_2 +_ndb_struct_na_base_pair_step.j_symmetry_2 +_ndb_struct_na_base_pair_step.shift +_ndb_struct_na_base_pair_step.slide +_ndb_struct_na_base_pair_step.rise +_ndb_struct_na_base_pair_step.tilt +_ndb_struct_na_base_pair_step.roll +_ndb_struct_na_base_pair_step.twist +_ndb_struct_na_base_pair_step.x_displacement +_ndb_struct_na_base_pair_step.y_displacement +_ndb_struct_na_base_pair_step.helical_rise +_ndb_struct_na_base_pair_step.inclination +_ndb_struct_na_base_pair_step.tip +_ndb_struct_na_base_pair_step.helical_twist +_ndb_struct_na_base_pair_step.step_number +_ndb_struct_na_base_pair_step.step_name +_ndb_struct_na_base_pair_step.i_auth_asym_id_1 +_ndb_struct_na_base_pair_step.i_auth_seq_id_1 +_ndb_struct_na_base_pair_step.i_PDB_ins_code_1 +_ndb_struct_na_base_pair_step.j_auth_asym_id_1 +_ndb_struct_na_base_pair_step.j_auth_seq_id_1 +_ndb_struct_na_base_pair_step.j_PDB_ins_code_1 +_ndb_struct_na_base_pair_step.i_auth_asym_id_2 +_ndb_struct_na_base_pair_step.i_auth_seq_id_2 +_ndb_struct_na_base_pair_step.i_PDB_ins_code_2 +_ndb_struct_na_base_pair_step.j_auth_asym_id_2 +_ndb_struct_na_base_pair_step.j_auth_seq_id_2 +_ndb_struct_na_base_pair_step.j_PDB_ins_code_2 +1 D C 2 1_555 D G 18 1_555 D A 3 1_555 D U 17 1_555 0.115 -1.858 3.075 -4.040 9.216 38.483 -3.673 -0.581 2.557 13.698 6.005 +39.728 1 RR_C2A3:U17G18_RR R 2 ? R 18 ? R 3 ? R 17 ? +1 D A 3 1_555 D U 17 1_555 D U 4 1_555 D A 16 1_555 -0.053 -1.156 3.508 2.030 8.477 36.787 -2.917 0.352 3.167 13.205 -3.162 +37.771 2 RR_A3U4:A16U17_RR R 3 ? R 17 ? R 4 ? R 16 ? +1 D U 4 1_555 D A 16 1_555 D G 5 1_555 D C 15 1_555 -0.074 -1.353 3.037 1.472 10.704 29.974 -4.150 0.366 2.417 19.899 -2.737 +31.820 3 RR_U4G5:C15A16_RR R 4 ? R 16 ? R 5 ? R 15 ? +1 D G 5 1_555 D C 15 1_555 D G 7 1_555 D C 14 1_555 0.204 -2.131 3.441 -1.688 4.057 31.177 -4.693 -0.695 3.131 7.501 3.121 +31.478 4 RR_G5G7:C14C15_RR R 5 ? R 15 ? R 7 ? R 14 ? +1 D G 7 1_555 D C 14 1_555 D G 8 1_555 D C 13 1_555 -0.408 -2.001 3.127 -1.312 3.798 32.521 -4.152 0.514 2.895 6.749 2.332 +32.762 5 RR_G7G8:C13C14_RR R 7 ? R 14 ? R 8 ? R 13 ? +1 E C 2 1_555 E G 18 1_555 E A 3 1_555 E U 17 1_555 0.524 -1.934 3.735 -6.268 7.767 35.596 -4.176 -1.732 3.125 12.407 10.013 +36.925 6 SS_C2A3:U17G18_SS S 2 ? S 18 ? S 3 ? S 17 ? +1 E A 3 1_555 E U 17 1_555 E U 4 1_555 E A 16 1_555 -0.197 -1.036 3.289 2.414 3.761 37.673 -2.070 0.609 3.156 5.798 -3.722 +37.928 7 SS_A3U4:A16U17_SS S 3 ? S 17 ? S 4 ? S 16 ? +1 E U 4 1_555 E A 16 1_555 E G 5 1_555 E C 15 1_555 0.382 -1.133 3.381 -0.457 10.172 30.125 -3.898 -0.779 2.851 18.903 0.849 +31.761 8 SS_U4G5:C15A16_SS S 4 ? S 16 ? S 5 ? S 15 ? +1 E G 5 1_555 E C 15 1_555 E G 7 1_555 E C 14 1_555 0.696 -1.935 3.337 1.069 10.346 33.974 -4.599 -0.995 2.672 17.213 -1.779 +35.486 9 SS_G5G7:C14C15_SS S 5 ? S 15 ? S 7 ? S 14 ? +1 E G 7 1_555 E C 14 1_555 E G 8 1_555 E C 13 1_555 -1.266 -1.522 3.071 -0.979 10.544 34.189 -3.816 1.939 2.540 17.424 1.617 +35.745 10 SS_G7G8:C13C14_SS S 7 ? S 14 ? S 8 ? S 13 ? +# +_pdbx_entity_nonpoly.entity_id 3 +_pdbx_entity_nonpoly.name water +_pdbx_entity_nonpoly.comp_id HOH +# +_pdbx_initial_refinement_model.id 1 +_pdbx_initial_refinement_model.entity_id_list ? +_pdbx_initial_refinement_model.type 'experimental model' +_pdbx_initial_refinement_model.source_name PDB +_pdbx_initial_refinement_model.accession_code 2MS2 +_pdbx_initial_refinement_model.details 'PDB ENTRY 2MS2' +#