data_2AW2 # _entry.id 2AW2 # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.279 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 2AW2 RCSB RCSB034380 WWPDB D_1000034380 # loop_ _pdbx_database_related.db_name _pdbx_database_related.db_id _pdbx_database_related.details _pdbx_database_related.content_type PDB 1XAU 'Crystal structure of murine BTLA' unspecified PDB 1JMA 'Crystal structure of the gD-HVEM complex' unspecified # _pdbx_database_status.status_code REL _pdbx_database_status.entry_id 2AW2 _pdbx_database_status.recvd_initial_deposition_date 2005-08-31 _pdbx_database_status.deposit_site RCSB _pdbx_database_status.process_site RCSB _pdbx_database_status.status_code_sf REL _pdbx_database_status.status_code_mr ? _pdbx_database_status.SG_entry N _pdbx_database_status.pdb_format_compatible Y _pdbx_database_status.status_code_cs ? # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Compaan, D.M.' 1 'Gonzalez, L.C.' 2 'Tom, I.' 3 'Loyet, K.M.' 4 'Eaton, D.' 5 'Hymowitz, S.G.' 6 # _citation.id primary _citation.title 'Attenuating Lymphocyte Activity: the crystal structure of the BTLA-HVEM complex' _citation.journal_abbrev J.Biol.Chem. _citation.journal_volume 280 _citation.page_first 39553 _citation.page_last 39561 _citation.year 2005 _citation.journal_id_ASTM JBCHA3 _citation.country US _citation.journal_id_ISSN 0021-9258 _citation.journal_id_CSD 0071 _citation.book_publisher ? _citation.pdbx_database_id_PubMed 16169851 _citation.pdbx_database_id_DOI 10.1074/jbc.M507629200 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Compaan, D.M.' 1 primary 'Gonzalez, L.C.' 2 primary 'Tom, I.' 3 primary 'Loyet, K.M.' 4 primary 'Eaton, D.' 5 primary 'Hymowitz, S.G.' 6 # _cell.entry_id 2AW2 _cell.length_a 49.294 _cell.length_b 167.116 _cell.length_c 148.680 _cell.angle_alpha 90.00 _cell.angle_beta 90.00 _cell.angle_gamma 90.00 _cell.Z_PDB 16 _cell.pdbx_unique_axis ? # _symmetry.entry_id 2AW2 _symmetry.space_group_name_H-M 'C 2 2 21' _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.Int_Tables_number 20 _symmetry.space_group_name_Hall ? # loop_ _entity.id _entity.type _entity.src_method _entity.pdbx_description _entity.formula_weight _entity.pdbx_number_of_molecules _entity.pdbx_ec _entity.pdbx_mutation _entity.pdbx_fragment _entity.details 1 polymer man 'B and T lymphocyte attenuator' 14101.793 2 ? ? 'extracellular domain (residues 26-137)' ? 2 polymer man 'Tumor necrosis factor receptor superfamily member 14' 11451.132 2 ? ? 'truncated extracellular domain contains CRD1, 2 and part of CRD3 (residues 39-142)' ? 3 non-polymer syn 'NICKEL (II) ION' 58.693 1 ? ? ? ? 4 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 3 ? ? ? ? 5 non-polymer man BETA-L-FUCOSE 164.156 1 ? ? ? ? 6 water nat water 18.015 4 ? ? ? ? # loop_ _entity_name_com.entity_id _entity_name_com.name 1 'B and T lymphocyte-associated protein' 2 'Herpesvirus entry mediator A, Tumor necrosis factor receptor-like 2, TR2' # 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 ;WNIHGKESCDVQLYIKRQSEHSILAGDPFELECPVKYCANRPHVTWCKLNGTTCVKLEDRQTSWKEEKNISFFILHFEPV LPNDNGSYRCSANFQSNLIESHSTTLYVTDVKHHHHHHHH ; ;WNIHGKESCDVQLYIKRQSEHSILAGDPFELECPVKYCANRPHVTWCKLNGTTCVKLEDRQTSWKEEKNISFFILHFEPV LPNDNGSYRCSANFQSNLIESHSTTLYVTDVKHHHHHHHH ; A,X ? 2 'polypeptide(L)' no no ;GSHMLPSCKEDEYPVGSECCPKCSPGYRVKEACGELTGTVCEPCPPGTYIAHLNGLSKCLQCQMCDPAMGLRASRNCSRT ENAVCGCSPGHFCIVQDGDHCAACRAYA ; ;GSHMLPSCKEDEYPVGSECCPKCSPGYRVKEACGELTGTVCEPCPPGTYIAHLNGLSKCLQCQMCDPAMGLRASRNCSRT ENAVCGCSPGHFCIVQDGDHCAACRAYA ; B,Y ? # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 TRP n 1 2 ASN n 1 3 ILE n 1 4 HIS n 1 5 GLY n 1 6 LYS n 1 7 GLU n 1 8 SER n 1 9 CYS n 1 10 ASP n 1 11 VAL n 1 12 GLN n 1 13 LEU n 1 14 TYR n 1 15 ILE n 1 16 LYS n 1 17 ARG n 1 18 GLN n 1 19 SER n 1 20 GLU n 1 21 HIS n 1 22 SER n 1 23 ILE n 1 24 LEU n 1 25 ALA n 1 26 GLY n 1 27 ASP n 1 28 PRO n 1 29 PHE n 1 30 GLU n 1 31 LEU n 1 32 GLU n 1 33 CYS n 1 34 PRO n 1 35 VAL n 1 36 LYS n 1 37 TYR n 1 38 CYS n 1 39 ALA n 1 40 ASN n 1 41 ARG n 1 42 PRO n 1 43 HIS n 1 44 VAL n 1 45 THR n 1 46 TRP n 1 47 CYS n 1 48 LYS n 1 49 LEU n 1 50 ASN n 1 51 GLY n 1 52 THR n 1 53 THR n 1 54 CYS n 1 55 VAL n 1 56 LYS n 1 57 LEU n 1 58 GLU n 1 59 ASP n 1 60 ARG n 1 61 GLN n 1 62 THR n 1 63 SER n 1 64 TRP n 1 65 LYS n 1 66 GLU n 1 67 GLU n 1 68 LYS n 1 69 ASN n 1 70 ILE n 1 71 SER n 1 72 PHE n 1 73 PHE n 1 74 ILE n 1 75 LEU n 1 76 HIS n 1 77 PHE n 1 78 GLU n 1 79 PRO n 1 80 VAL n 1 81 LEU n 1 82 PRO n 1 83 ASN n 1 84 ASP n 1 85 ASN n 1 86 GLY n 1 87 SER n 1 88 TYR n 1 89 ARG n 1 90 CYS n 1 91 SER n 1 92 ALA n 1 93 ASN n 1 94 PHE n 1 95 GLN n 1 96 SER n 1 97 ASN n 1 98 LEU n 1 99 ILE n 1 100 GLU n 1 101 SER n 1 102 HIS n 1 103 SER n 1 104 THR n 1 105 THR n 1 106 LEU n 1 107 TYR n 1 108 VAL n 1 109 THR n 1 110 ASP n 1 111 VAL n 1 112 LYS n 1 113 HIS n 1 114 HIS n 1 115 HIS n 1 116 HIS n 1 117 HIS n 1 118 HIS n 1 119 HIS n 1 120 HIS n 2 1 GLY n 2 2 SER n 2 3 HIS n 2 4 MET n 2 5 LEU n 2 6 PRO n 2 7 SER n 2 8 CYS n 2 9 LYS n 2 10 GLU n 2 11 ASP n 2 12 GLU n 2 13 TYR n 2 14 PRO n 2 15 VAL n 2 16 GLY n 2 17 SER n 2 18 GLU n 2 19 CYS n 2 20 CYS n 2 21 PRO n 2 22 LYS n 2 23 CYS n 2 24 SER n 2 25 PRO n 2 26 GLY n 2 27 TYR n 2 28 ARG n 2 29 VAL n 2 30 LYS n 2 31 GLU n 2 32 ALA n 2 33 CYS n 2 34 GLY n 2 35 GLU n 2 36 LEU n 2 37 THR n 2 38 GLY n 2 39 THR n 2 40 VAL n 2 41 CYS n 2 42 GLU n 2 43 PRO n 2 44 CYS n 2 45 PRO n 2 46 PRO n 2 47 GLY n 2 48 THR n 2 49 TYR n 2 50 ILE n 2 51 ALA n 2 52 HIS n 2 53 LEU n 2 54 ASN n 2 55 GLY n 2 56 LEU n 2 57 SER n 2 58 LYS n 2 59 CYS n 2 60 LEU n 2 61 GLN n 2 62 CYS n 2 63 GLN n 2 64 MET n 2 65 CYS n 2 66 ASP n 2 67 PRO n 2 68 ALA n 2 69 MET n 2 70 GLY n 2 71 LEU n 2 72 ARG n 2 73 ALA n 2 74 SER n 2 75 ARG n 2 76 ASN n 2 77 CYS n 2 78 SER n 2 79 ARG n 2 80 THR n 2 81 GLU n 2 82 ASN n 2 83 ALA n 2 84 VAL n 2 85 CYS n 2 86 GLY n 2 87 CYS n 2 88 SER n 2 89 PRO n 2 90 GLY n 2 91 HIS n 2 92 PHE n 2 93 CYS n 2 94 ILE n 2 95 VAL n 2 96 GLN n 2 97 ASP n 2 98 GLY n 2 99 ASP n 2 100 HIS n 2 101 CYS n 2 102 ALA n 2 103 ALA n 2 104 CYS n 2 105 ARG n 2 106 ALA n 2 107 TYR n 2 108 ALA n # loop_ _entity_src_gen.entity_id _entity_src_gen.pdbx_src_id _entity_src_gen.pdbx_alt_source_flag _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 _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id _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 _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id _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 1 1 sample ? ? ? human Homo BTLA ? ? ? ? ? ? 'Homo sapiens' 9606 ? ? ? ? ? ? ? ? 'Escherichia coli' 562 Escherichia ? ? ? ? ? 33D3 ? ? ? ? ? ? ? plasmid ? ? ? pSTII.TIR3 ? ? 2 1 sample ? ? ? human Homo 'TNFRSF14, HVEA, HVEM' ? ? ? ? ? ? 'Homo sapiens' 9606 ? ? ? ? ? ? ? 'fall armyworm' 'Spodoptera frugiperda' 7108 Spodoptera ? ? ? ? ? Hi5 ? ? ? ? ? ? ? plasmid ? ? ? pAcGP67-B ? ? # loop_ _struct_ref.id _struct_ref.db_name _struct_ref.db_code _struct_ref.pdbx_db_accession _struct_ref.entity_id _struct_ref.pdbx_seq_one_letter_code _struct_ref.pdbx_align_begin _struct_ref.pdbx_db_isoform 1 UNP BTLA_HUMAN Q7Z6A9 1 ;WNIHGKESCDVQLYIKRQSEHSILAGDPFELECPVKYCANRPHVTWCKLNGTTCVKLEDRQTSWKEEKNISFFILHFEPV LPNDNGSYRCSANFQSNLIESHSTTLYVTDVK ; 26 ? 2 UNP TNR14_HUMAN Q92956 2 ;LPCYAPALPSCKEDEYPVGSECCPKCSPGYRVKEACGELTGTVCEPCPPGTYIAHLNGLSKCLQCQMCDPAMGLRASRNC SRTENAVCGCSPGHFCIVQDGDHCAACRAYA ; 39 ? # 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 2AW2 A 1 ? 112 ? Q7Z6A9 26 ? 137 ? 26 137 2 1 2AW2 X 1 ? 112 ? Q7Z6A9 26 ? 137 ? 26 137 3 2 2AW2 B 5 ? 108 ? Q92956 39 ? 142 ? 1 104 4 2 2AW2 Y 5 ? 108 ? Q92956 39 ? 142 ? 1 104 # loop_ _struct_ref_seq_dif.align_id _struct_ref_seq_dif.pdbx_pdb_id_code _struct_ref_seq_dif.mon_id _struct_ref_seq_dif.pdbx_pdb_strand_id _struct_ref_seq_dif.seq_num _struct_ref_seq_dif.pdbx_pdb_ins_code _struct_ref_seq_dif.pdbx_seq_db_name _struct_ref_seq_dif.pdbx_seq_db_accession_code _struct_ref_seq_dif.db_mon_id _struct_ref_seq_dif.pdbx_seq_db_seq_num _struct_ref_seq_dif.details _struct_ref_seq_dif.pdbx_auth_seq_num _struct_ref_seq_dif.pdbx_ordinal 1 2AW2 HIS A 113 ? UNP Q7Z6A9 ? ? 'EXPRESSION TAG' 138 1 1 2AW2 HIS A 114 ? UNP Q7Z6A9 ? ? 'EXPRESSION TAG' 139 2 1 2AW2 HIS A 115 ? UNP Q7Z6A9 ? ? 'EXPRESSION TAG' 140 3 1 2AW2 HIS A 116 ? UNP Q7Z6A9 ? ? 'EXPRESSION TAG' 141 4 1 2AW2 HIS A 117 ? UNP Q7Z6A9 ? ? 'EXPRESSION TAG' 142 5 1 2AW2 HIS A 118 ? UNP Q7Z6A9 ? ? 'EXPRESSION TAG' 143 6 1 2AW2 HIS A 119 ? UNP Q7Z6A9 ? ? 'EXPRESSION TAG' 144 7 1 2AW2 HIS A 120 ? UNP Q7Z6A9 ? ? 'EXPRESSION TAG' 145 8 2 2AW2 HIS X 113 ? UNP Q7Z6A9 ? ? 'EXPRESSION TAG' 138 9 2 2AW2 HIS X 114 ? UNP Q7Z6A9 ? ? 'EXPRESSION TAG' 139 10 2 2AW2 HIS X 115 ? UNP Q7Z6A9 ? ? 'EXPRESSION TAG' 140 11 2 2AW2 HIS X 116 ? UNP Q7Z6A9 ? ? 'EXPRESSION TAG' 141 12 2 2AW2 HIS X 117 ? UNP Q7Z6A9 ? ? 'EXPRESSION TAG' 142 13 2 2AW2 HIS X 118 ? UNP Q7Z6A9 ? ? 'EXPRESSION TAG' 143 14 2 2AW2 HIS X 119 ? UNP Q7Z6A9 ? ? 'EXPRESSION TAG' 144 15 2 2AW2 HIS X 120 ? UNP Q7Z6A9 ? ? 'EXPRESSION TAG' 145 16 3 2AW2 GLY B 1 ? UNP Q92956 ? ? 'CLONING ARTIFACT' -3 17 3 2AW2 SER B 2 ? UNP Q92956 ? ? 'CLONING ARTIFACT' -2 18 3 2AW2 HIS B 3 ? UNP Q92956 ? ? 'CLONING ARTIFACT' -1 19 3 2AW2 MET B 4 ? UNP Q92956 ? ? 'CLONING ARTIFACT' 0 20 4 2AW2 GLY Y 1 ? UNP Q92956 ? ? 'CLONING ARTIFACT' -3 21 4 2AW2 SER Y 2 ? UNP Q92956 ? ? 'CLONING ARTIFACT' -2 22 4 2AW2 HIS Y 3 ? UNP Q92956 ? ? 'CLONING ARTIFACT' -1 23 4 2AW2 MET Y 4 ? UNP Q92956 ? ? 'CLONING ARTIFACT' 0 24 # loop_ _chem_comp.id _chem_comp.type _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_synonyms _chem_comp.formula _chem_comp.formula_weight ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 FUL L-saccharide . BETA-L-FUCOSE 6-DEOXY-BETA-L-GALACTOSE 'C6 H12 O5' 164.156 GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 HOH non-polymer . WATER ? 'H2 O' 18.015 ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 NAG D-saccharide . N-ACETYL-D-GLUCOSAMINE ? 'C8 H15 N O6' 221.208 NI non-polymer . 'NICKEL (II) ION' ? 'Ni 2' 58.693 PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119 TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.225 TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189 VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 # _exptl.entry_id 2AW2 _exptl.method 'X-RAY DIFFRACTION' _exptl.crystals_number 1 # _exptl_crystal.id 1 _exptl_crystal.density_meas ? _exptl_crystal.density_Matthews 3.3 _exptl_crystal.density_percent_sol 62 _exptl_crystal.description ? _exptl_crystal.F_000 ? _exptl_crystal.preparation ? # _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.method 'VAPOR DIFFUSION, HANGING DROP' _exptl_crystal_grow.temp 292 _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.pH 4.6 _exptl_crystal_grow.pdbx_details '2.0 M NaFormate, 0.1 M Na Acetate, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 292K' _exptl_crystal_grow.pdbx_pH_range . # _diffrn.id 1 _diffrn.ambient_temp 100 _diffrn.ambient_temp_details ? _diffrn.crystal_id 1 # _diffrn_detector.diffrn_id 1 _diffrn_detector.detector CCD _diffrn_detector.type 'ADSC QUANTUM 4' _diffrn_detector.pdbx_collection_date 2005-03-08 _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 'single crystal optically bent, Si(220)' _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 1.00 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.diffrn_id 1 _diffrn_source.source SYNCHROTRON _diffrn_source.type 'ALS BEAMLINE 5.0.1' _diffrn_source.pdbx_synchrotron_site ALS _diffrn_source.pdbx_synchrotron_beamline 5.0.1 _diffrn_source.pdbx_wavelength ? _diffrn_source.pdbx_wavelength_list 1.00 # _reflns.entry_id 2AW2 _reflns.observed_criterion_sigma_F 0 _reflns.observed_criterion_sigma_I -3 _reflns.d_resolution_high 2.8 _reflns.d_resolution_low 50 _reflns.number_all 15639 _reflns.number_obs 15639 _reflns.percent_possible_obs 99.9 _reflns.pdbx_Rmerge_I_obs 0.052 _reflns.pdbx_Rsym_value 0.052 _reflns.pdbx_netI_over_sigmaI 13.4 _reflns.B_iso_Wilson_estimate 70 _reflns.pdbx_redundancy 3.98 _reflns.R_free_details ? _reflns.limit_h_max ? _reflns.limit_h_min ? _reflns.limit_k_max ? _reflns.limit_k_min ? _reflns.limit_l_max ? _reflns.limit_l_min ? _reflns.observed_criterion_F_max ? _reflns.observed_criterion_F_min ? _reflns.pdbx_chi_squared ? _reflns.pdbx_scaling_rejects ? _reflns.pdbx_ordinal 1 _reflns.pdbx_diffrn_id 1 # _reflns_shell.d_res_high 2.80 _reflns_shell.d_res_low 2.90 _reflns_shell.percent_possible_all 100 _reflns_shell.Rmerge_I_obs 0.455 _reflns_shell.pdbx_Rsym_value 0.455 _reflns_shell.meanI_over_sigI_obs 2.3 _reflns_shell.pdbx_redundancy 4.0 _reflns_shell.percent_possible_obs ? _reflns_shell.number_unique_all 1543 _reflns_shell.number_measured_all ? _reflns_shell.number_measured_obs ? _reflns_shell.number_unique_obs ? _reflns_shell.pdbx_chi_squared ? _reflns_shell.pdbx_ordinal 1 _reflns_shell.pdbx_diffrn_id 1 # _refine.entry_id 2AW2 _refine.ls_number_reflns_obs 15591 _refine.ls_number_reflns_all 15599 _refine.pdbx_ls_sigma_I -3 _refine.pdbx_ls_sigma_F 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 30.00 _refine.ls_d_res_high 2.80 _refine.ls_percent_reflns_obs 99.95 _refine.ls_R_factor_obs 0.23649 _refine.ls_R_factor_all 0.2364 _refine.ls_R_factor_R_work 0.23127 _refine.ls_R_factor_R_free 0.27838 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free 10.8 _refine.ls_number_reflns_R_free 1686 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min ? _refine.occupancy_max ? _refine.correlation_coeff_Fo_to_Fc 0.920 _refine.correlation_coeff_Fo_to_Fc_free 0.880 _refine.B_iso_mean 61.821 _refine.aniso_B[1][1] 2.72 _refine.aniso_B[2][2] -1.88 _refine.aniso_B[3][3] -0.83 _refine.aniso_B[1][2] 0.00 _refine.aniso_B[1][3] 0.00 _refine.aniso_B[2][3] 0.00 _refine.solvent_model_details MASK _refine.solvent_model_param_ksol ? _refine.solvent_model_param_bsol ? _refine.pdbx_solvent_vdw_probe_radii 1.40 _refine.pdbx_solvent_ion_probe_radii 0.80 _refine.pdbx_solvent_shrinkage_radii 0.80 _refine.pdbx_ls_cross_valid_method THROUGHOUT _refine.details 'HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS' _refine.pdbx_starting_model 'pdb entry 1XAU and chain B from 1JMA' _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_stereochemistry_target_values 'MAXIMUM LIKELIHOOD' _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_R_Free_selection_details 'Thin shells' _refine.pdbx_overall_ESU_R 1.303 _refine.pdbx_overall_ESU_R_Free 0.392 _refine.overall_SU_ML 0.300 _refine.overall_SU_B 33.204 _refine.ls_redundancy_reflns_obs ? _refine.B_iso_min ? _refine.B_iso_max ? _refine.overall_SU_R_Cruickshank_DPI ? _refine.overall_SU_R_free ? _refine.ls_wR_factor_R_free ? _refine.ls_wR_factor_R_work ? _refine.overall_FOM_free_R_set ? _refine.overall_FOM_work_R_set ? _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.pdbx_TLS_residual_ADP_flag 'LIKELY RESIDUAL' _refine.pdbx_diffrn_id 1 _refine.pdbx_overall_phase_error ? _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 3202 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 53 _refine_hist.number_atoms_solvent 4 _refine_hist.number_atoms_total 3259 _refine_hist.d_res_high 2.80 _refine_hist.d_res_low 30.00 # loop_ _refine_ls_restr.type _refine_ls_restr.dev_ideal _refine_ls_restr.dev_ideal_target _refine_ls_restr.weight _refine_ls_restr.number _refine_ls_restr.pdbx_refine_id _refine_ls_restr.pdbx_restraint_function r_bond_refined_d 0.007 0.021 ? 3358 'X-RAY DIFFRACTION' ? r_bond_other_d 0.002 0.020 ? 2841 'X-RAY DIFFRACTION' ? r_angle_refined_deg 1.039 1.962 ? 4571 'X-RAY DIFFRACTION' ? r_angle_other_deg 0.680 3.000 ? 6659 'X-RAY DIFFRACTION' ? r_dihedral_angle_1_deg 6.474 5.000 ? 411 'X-RAY DIFFRACTION' ? r_dihedral_angle_2_deg 36.267 24.014 ? 147 'X-RAY DIFFRACTION' ? r_dihedral_angle_3_deg 17.715 15.000 ? 522 'X-RAY DIFFRACTION' ? r_dihedral_angle_4_deg 12.784 15.000 ? 18 'X-RAY DIFFRACTION' ? r_chiral_restr 0.061 0.200 ? 498 'X-RAY DIFFRACTION' ? r_gen_planes_refined 0.002 0.020 ? 3685 'X-RAY DIFFRACTION' ? r_gen_planes_other 0.001 0.020 ? 641 'X-RAY DIFFRACTION' ? r_nbd_refined 0.171 0.200 ? 531 'X-RAY DIFFRACTION' ? r_nbd_other 0.164 0.200 ? 2609 'X-RAY DIFFRACTION' ? r_nbtor_refined 0.174 0.200 ? 1490 'X-RAY DIFFRACTION' ? r_nbtor_other 0.080 0.200 ? 2100 'X-RAY DIFFRACTION' ? r_xyhbond_nbd_refined 0.125 0.200 ? 48 'X-RAY DIFFRACTION' ? r_symmetry_vdw_refined 0.172 0.200 ? 23 'X-RAY DIFFRACTION' ? r_symmetry_vdw_other 0.226 0.200 ? 18 'X-RAY DIFFRACTION' ? r_symmetry_hbond_refined 0.033 0.200 ? 1 'X-RAY DIFFRACTION' ? r_mcbond_it 1.909 2.500 ? 2656 'X-RAY DIFFRACTION' ? r_mcbond_other 0.283 2.500 ? 838 'X-RAY DIFFRACTION' ? r_mcangle_it 2.518 5.000 ? 3355 'X-RAY DIFFRACTION' ? r_scbond_it 1.527 2.500 ? 1467 'X-RAY DIFFRACTION' ? r_scangle_it 2.308 5.000 ? 1216 'X-RAY DIFFRACTION' ? # loop_ _refine_ls_restr_ncs.dom_id _refine_ls_restr_ncs.pdbx_auth_asym_id _refine_ls_restr_ncs.pdbx_number _refine_ls_restr_ncs.rms_dev_position _refine_ls_restr_ncs.weight_position _refine_ls_restr_ncs.pdbx_type _refine_ls_restr_ncs.pdbx_ens_id _refine_ls_restr_ncs.pdbx_refine_id _refine_ls_restr_ncs.pdbx_ordinal _refine_ls_restr_ncs.ncs_model_details _refine_ls_restr_ncs.rms_dev_B_iso _refine_ls_restr_ncs.weight_B_iso 1 B 1366 0.31 0.50 'medium positional' 2 'X-RAY DIFFRACTION' 1 ? ? ? 1 A 1554 0.80 5.00 'loose positional' 1 'X-RAY DIFFRACTION' 2 ? ? ? 1 B 1366 0.23 2.00 'medium thermal' 2 'X-RAY DIFFRACTION' 3 ? ? ? 1 A 1554 1.34 10.00 'loose thermal' 1 'X-RAY DIFFRACTION' 4 ? ? ? # _refine_ls_shell.pdbx_total_number_of_bins_used 25 _refine_ls_shell.d_res_high 2.800 _refine_ls_shell.d_res_low 2.857 _refine_ls_shell.number_reflns_R_work 875 _refine_ls_shell.R_factor_R_work 0.344 _refine_ls_shell.percent_reflns_obs 100.00 _refine_ls_shell.R_factor_R_free 0.443 _refine_ls_shell.R_factor_R_free_error ? _refine_ls_shell.percent_reflns_R_free ? _refine_ls_shell.number_reflns_R_free 24 _refine_ls_shell.number_reflns_obs ? _refine_ls_shell.redundancy_reflns_obs ? _refine_ls_shell.number_reflns_all ? _refine_ls_shell.R_factor_all ? _refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' # loop_ _struct_ncs_dom.pdbx_ens_id _struct_ncs_dom.id _struct_ncs_dom.details 1 1 A 1 2 X 2 1 B 2 2 Y # loop_ _struct_ncs_dom_lim.dom_id _struct_ncs_dom_lim.beg_auth_asym_id _struct_ncs_dom_lim.beg_auth_seq_id _struct_ncs_dom_lim.end_auth_asym_id _struct_ncs_dom_lim.end_auth_seq_id _struct_ncs_dom_lim.pdbx_component_id _struct_ncs_dom_lim.pdbx_refine_code _struct_ncs_dom_lim.beg_label_asym_id _struct_ncs_dom_lim.beg_label_comp_id _struct_ncs_dom_lim.beg_label_seq_id _struct_ncs_dom_lim.beg_label_alt_id _struct_ncs_dom_lim.end_label_asym_id _struct_ncs_dom_lim.end_label_comp_id _struct_ncs_dom_lim.end_label_seq_id _struct_ncs_dom_lim.end_label_alt_id _struct_ncs_dom_lim.pdbx_ens_id _struct_ncs_dom_lim.selection_details 1 A 34 A 140 1 6 A CYS 9 ? A HIS 115 ? 1 ? 2 X 34 X 140 1 6 C CYS 9 ? C HIS 115 ? 1 ? 1 B 2 B 103 1 4 B PRO 6 ? B TYR 107 ? 2 ? 2 Y 2 Y 103 1 4 D PRO 6 ? D TYR 107 ? 2 ? # loop_ _struct_ncs_ens.id _struct_ncs_ens.details 1 ? 2 ? # _struct.entry_id 2AW2 _struct.title 'Crystal structure of the human BTLA-HVEM complex' _struct.pdbx_descriptor 'B and T lymphocyte attenuator, Tumor necrosis factor receptor superfamily member 14' _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 2AW2 _struct_keywords.pdbx_keywords 'IMMUNE SYSTEM' _struct_keywords.text 'IgI domain, IgG domain, TNFRSF, protein-protein complex, IMMUNE SYSTEM' # 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 2 ? C N N 1 ? D N N 2 ? E N N 3 ? F N N 4 ? G N N 4 ? H N N 4 ? I N N 5 ? J N N 6 ? K N N 6 ? L N N 6 ? # _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 LEU A 81 ? ASN A 85 ? LEU A 106 ASN A 110 5 ? 5 HELX_P HELX_P2 2 ASP A 110 ? HIS A 114 ? ASP A 135 HIS A 139 5 ? 5 HELX_P HELX_P3 3 ASP B 66 ? MET B 69 ? ASP B 62 MET B 65 5 ? 4 HELX_P HELX_P4 4 LEU C 81 ? ASN C 85 ? LEU X 106 ASN X 110 5 ? 5 HELX_P HELX_P5 5 ASP D 66 ? MET D 69 ? ASP Y 62 MET Y 65 5 ? 4 # _struct_conf_type.id HELX_P _struct_conf_type.criteria ? _struct_conf_type.reference ? # loop_ _struct_conn.id _struct_conn.conn_type_id _struct_conn.pdbx_leaving_atom_flag _struct_conn.pdbx_PDB_id _struct_conn.ptnr1_label_asym_id _struct_conn.ptnr1_label_comp_id _struct_conn.ptnr1_label_seq_id _struct_conn.ptnr1_label_atom_id _struct_conn.pdbx_ptnr1_label_alt_id _struct_conn.pdbx_ptnr1_PDB_ins_code _struct_conn.pdbx_ptnr1_standard_comp_id _struct_conn.ptnr1_symmetry _struct_conn.ptnr2_label_asym_id _struct_conn.ptnr2_label_comp_id _struct_conn.ptnr2_label_seq_id _struct_conn.ptnr2_label_atom_id _struct_conn.pdbx_ptnr2_label_alt_id _struct_conn.pdbx_ptnr2_PDB_ins_code _struct_conn.ptnr1_auth_asym_id _struct_conn.ptnr1_auth_comp_id _struct_conn.ptnr1_auth_seq_id _struct_conn.ptnr2_auth_asym_id _struct_conn.ptnr2_auth_comp_id _struct_conn.ptnr2_auth_seq_id _struct_conn.ptnr2_symmetry _struct_conn.pdbx_ptnr3_label_atom_id _struct_conn.pdbx_ptnr3_label_seq_id _struct_conn.pdbx_ptnr3_label_comp_id _struct_conn.pdbx_ptnr3_label_asym_id _struct_conn.pdbx_ptnr3_label_alt_id _struct_conn.pdbx_ptnr3_PDB_ins_code _struct_conn.details _struct_conn.pdbx_dist_value _struct_conn.pdbx_value_order disulf1 disulf ? ? A CYS 9 SG ? ? ? 1_555 A CYS 38 SG ? ? A CYS 34 A CYS 63 1_555 ? ? ? ? ? ? ? 2.038 ? disulf2 disulf ? ? A CYS 33 SG ? ? ? 1_555 A CYS 90 SG ? ? A CYS 58 A CYS 115 1_555 ? ? ? ? ? ? ? 2.023 ? disulf3 disulf ? ? A CYS 47 SG ? ? ? 1_555 A CYS 54 SG ? ? A CYS 72 A CYS 79 1_555 ? ? ? ? ? ? ? 2.027 ? disulf4 disulf ? ? B CYS 8 SG ? ? ? 1_555 B CYS 19 SG ? ? B CYS 4 B CYS 15 1_555 ? ? ? ? ? ? ? 2.031 ? disulf5 disulf ? ? B CYS 20 SG ? ? ? 1_555 B CYS 33 SG ? ? B CYS 16 B CYS 29 1_555 ? ? ? ? ? ? ? 2.003 ? disulf6 disulf ? ? B CYS 23 SG ? ? ? 1_555 B CYS 41 SG ? ? B CYS 19 B CYS 37 1_555 ? ? ? ? ? ? ? 2.039 ? disulf7 disulf ? ? B CYS 44 SG ? ? ? 1_555 B CYS 59 SG ? ? B CYS 40 B CYS 55 1_555 ? ? ? ? ? ? ? 2.037 ? disulf8 disulf ? ? B CYS 62 SG ? ? ? 1_555 B CYS 77 SG ? ? B CYS 58 B CYS 73 1_555 ? ? ? ? ? ? ? 2.035 ? disulf9 disulf ? ? B CYS 65 SG ? ? ? 1_555 B CYS 85 SG ? ? B CYS 61 B CYS 81 1_555 ? ? ? ? ? ? ? 2.036 ? disulf10 disulf ? ? B CYS 87 SG ? ? ? 1_555 B CYS 104 SG ? ? B CYS 83 B CYS 100 1_555 ? ? ? ? ? ? ? 2.037 ? disulf11 disulf ? ? B CYS 93 SG ? ? ? 1_555 B CYS 101 SG ? ? B CYS 89 B CYS 97 1_555 ? ? ? ? ? ? ? 2.035 ? disulf12 disulf ? ? C CYS 9 SG ? ? ? 1_555 C CYS 38 SG ? ? X CYS 34 X CYS 63 1_555 ? ? ? ? ? ? ? 2.042 ? disulf13 disulf ? ? C CYS 33 SG ? ? ? 1_555 C CYS 90 SG ? ? X CYS 58 X CYS 115 1_555 ? ? ? ? ? ? ? 2.034 ? disulf14 disulf ? ? C CYS 47 SG ? ? ? 1_555 C CYS 54 SG ? ? X CYS 72 X CYS 79 1_555 ? ? ? ? ? ? ? 2.027 ? disulf15 disulf ? ? D CYS 8 SG ? ? ? 1_555 D CYS 19 SG ? ? Y CYS 4 Y CYS 15 1_555 ? ? ? ? ? ? ? 2.022 ? disulf16 disulf ? ? D CYS 20 SG ? ? ? 1_555 D CYS 33 SG ? ? Y CYS 16 Y CYS 29 1_555 ? ? ? ? ? ? ? 1.995 ? disulf17 disulf ? ? D CYS 23 SG ? ? ? 1_555 D CYS 41 SG ? ? Y CYS 19 Y CYS 37 1_555 ? ? ? ? ? ? ? 2.028 ? disulf18 disulf ? ? D CYS 44 SG ? ? ? 1_555 D CYS 59 SG ? ? Y CYS 40 Y CYS 55 1_555 ? ? ? ? ? ? ? 2.044 ? disulf19 disulf ? ? D CYS 62 SG ? ? ? 1_555 D CYS 77 SG ? ? Y CYS 58 Y CYS 73 1_555 ? ? ? ? ? ? ? 2.034 ? disulf20 disulf ? ? D CYS 65 SG ? ? ? 1_555 D CYS 85 SG ? ? Y CYS 61 Y CYS 81 1_555 ? ? ? ? ? ? ? 2.036 ? disulf21 disulf ? ? D CYS 87 SG ? ? ? 1_555 D CYS 104 SG ? ? Y CYS 83 Y CYS 100 1_555 ? ? ? ? ? ? ? 2.045 ? disulf22 disulf ? ? D CYS 93 SG ? ? ? 1_555 D CYS 101 SG ? ? Y CYS 89 Y CYS 97 1_555 ? ? ? ? ? ? ? 2.034 ? covale1 covale ? ? B ASN 76 ND2 ? ? ? 1_555 F NAG . C1 ? ? B ASN 72 B NAG 201 1_555 ? ? ? ? ? ? ? 1.442 ? covale2 covale ? ? D ASN 76 ND2 ? ? ? 1_555 H NAG . C1 ? ? Y ASN 72 Y NAG 201 1_555 ? ? ? ? ? ? ? 1.453 ? covale3 covale ? ? F NAG . O4 ? ? ? 1_555 G NAG . C1 ? ? B NAG 201 B NAG 202 1_555 ? ? ? ? ? ? ? 1.442 ? covale4 covale ? ? H NAG . O6 ? ? ? 1_555 I FUL . C1 ? ? Y NAG 201 Y FUL 202 1_555 ? ? ? ? ? ? ? 1.444 ? metalc1 metalc ? ? E NI . NI ? ? ? 1_555 A HIS 116 NE2 ? ? A NI 1 A HIS 141 1_555 ? ? ? ? ? ? ? 2.410 ? metalc2 metalc ? ? E NI . NI ? ? ? 1_555 A HIS 114 NE2 ? ? A NI 1 A HIS 139 1_555 ? ? ? ? ? ? ? 2.221 ? metalc3 metalc ? ? E NI . NI ? ? ? 1_555 A HIS 114 NE2 ? ? A NI 1 A HIS 139 3_555 ? ? ? ? ? ? ? 2.156 ? metalc4 metalc ? ? E NI . NI ? ? ? 1_555 A HIS 116 NE2 ? ? A NI 1 A HIS 141 3_555 ? ? ? ? ? ? ? 2.300 ? # loop_ _struct_conn_type.id _struct_conn_type.criteria _struct_conn_type.reference disulf ? ? covale ? ? metalc ? ? # loop_ _struct_mon_prot_cis.pdbx_id _struct_mon_prot_cis.label_comp_id _struct_mon_prot_cis.label_seq_id _struct_mon_prot_cis.label_asym_id _struct_mon_prot_cis.label_alt_id _struct_mon_prot_cis.pdbx_PDB_ins_code _struct_mon_prot_cis.auth_comp_id _struct_mon_prot_cis.auth_seq_id _struct_mon_prot_cis.auth_asym_id _struct_mon_prot_cis.pdbx_label_comp_id_2 _struct_mon_prot_cis.pdbx_label_seq_id_2 _struct_mon_prot_cis.pdbx_label_asym_id_2 _struct_mon_prot_cis.pdbx_PDB_ins_code_2 _struct_mon_prot_cis.pdbx_auth_comp_id_2 _struct_mon_prot_cis.pdbx_auth_seq_id_2 _struct_mon_prot_cis.pdbx_auth_asym_id_2 _struct_mon_prot_cis.pdbx_PDB_model_num _struct_mon_prot_cis.pdbx_omega_angle 1 GLU 78 A . ? GLU 103 A PRO 79 A ? PRO 104 A 1 0.51 2 GLU 78 C . ? GLU 103 X PRO 79 C ? PRO 104 X 1 -2.53 # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details A ? 4 ? B ? 5 ? C ? 6 ? D ? 2 ? E ? 2 ? F ? 2 ? G ? 2 ? H ? 4 ? I ? 5 ? J ? 6 ? K ? 2 ? L ? 2 ? M ? 2 ? N ? 2 ? # loop_ _struct_sheet_order.sheet_id _struct_sheet_order.range_id_1 _struct_sheet_order.range_id_2 _struct_sheet_order.offset _struct_sheet_order.sense A 1 2 ? anti-parallel A 2 3 ? anti-parallel A 3 4 ? anti-parallel B 1 2 ? parallel B 2 3 ? anti-parallel B 3 4 ? anti-parallel B 4 5 ? anti-parallel C 1 2 ? parallel C 2 3 ? anti-parallel C 3 4 ? anti-parallel C 4 5 ? anti-parallel C 5 6 ? anti-parallel D 1 2 ? anti-parallel E 1 2 ? anti-parallel F 1 2 ? anti-parallel G 1 2 ? anti-parallel H 1 2 ? anti-parallel H 2 3 ? anti-parallel H 3 4 ? anti-parallel I 1 2 ? parallel I 2 3 ? anti-parallel I 3 4 ? anti-parallel I 4 5 ? anti-parallel J 1 2 ? parallel J 2 3 ? anti-parallel J 3 4 ? anti-parallel J 4 5 ? anti-parallel J 5 6 ? anti-parallel K 1 2 ? anti-parallel L 1 2 ? anti-parallel M 1 2 ? anti-parallel N 1 2 ? anti-parallel # loop_ _struct_sheet_range.sheet_id _struct_sheet_range.id _struct_sheet_range.beg_label_comp_id _struct_sheet_range.beg_label_asym_id _struct_sheet_range.beg_label_seq_id _struct_sheet_range.pdbx_beg_PDB_ins_code _struct_sheet_range.end_label_comp_id _struct_sheet_range.end_label_asym_id _struct_sheet_range.end_label_seq_id _struct_sheet_range.pdbx_end_PDB_ins_code _struct_sheet_range.beg_auth_comp_id _struct_sheet_range.beg_auth_asym_id _struct_sheet_range.beg_auth_seq_id _struct_sheet_range.end_auth_comp_id _struct_sheet_range.end_auth_asym_id _struct_sheet_range.end_auth_seq_id A 1 GLN A 12 ? LEU A 13 ? GLN A 37 LEU A 38 A 2 PHE A 29 ? LYS A 36 ? PHE A 54 LYS A 61 A 3 SER A 71 ? PHE A 77 ? SER A 96 PHE A 102 A 4 THR A 62 ? GLU A 66 ? THR A 87 GLU A 91 B 1 SER A 19 ? LEU A 24 ? SER A 44 LEU A 49 B 2 THR A 104 ? THR A 109 ? THR A 129 THR A 134 B 3 GLY A 86 ? PHE A 94 ? GLY A 111 PHE A 119 B 4 HIS A 43 ? LEU A 49 ? HIS A 68 LEU A 74 B 5 CYS A 54 ? LYS A 56 ? CYS A 79 LYS A 81 C 1 SER A 19 ? LEU A 24 ? SER A 44 LEU A 49 C 2 THR A 104 ? THR A 109 ? THR A 129 THR A 134 C 3 GLY A 86 ? PHE A 94 ? GLY A 111 PHE A 119 C 4 ASN A 97 ? GLU A 100 ? ASN A 122 GLU A 125 C 5 THR B 39 ? PRO B 43 ? THR B 35 PRO B 39 C 6 TYR B 27 ? GLU B 31 ? TYR B 23 GLU B 27 D 1 GLU B 12 ? VAL B 15 ? GLU B 8 VAL B 11 D 2 GLU B 18 ? PRO B 21 ? GLU B 14 PRO B 17 E 1 THR B 48 ? TYR B 49 ? THR B 44 TYR B 45 E 2 LEU B 60 ? GLN B 61 ? LEU B 56 GLN B 57 F 1 LEU B 71 ? ARG B 75 ? LEU B 67 ARG B 71 F 2 VAL B 84 ? CYS B 87 ? VAL B 80 CYS B 83 G 1 HIS B 91 ? VAL B 95 ? HIS B 87 VAL B 91 G 2 ALA B 103 ? ALA B 106 ? ALA B 99 ALA B 102 H 1 GLN C 12 ? LEU C 13 ? GLN X 37 LEU X 38 H 2 PHE C 29 ? LYS C 36 ? PHE X 54 LYS X 61 H 3 ILE C 70 ? PHE C 77 ? ILE X 95 PHE X 102 H 4 THR C 62 ? GLU C 67 ? THR X 87 GLU X 92 I 1 SER C 19 ? LEU C 24 ? SER X 44 LEU X 49 I 2 THR C 104 ? THR C 109 ? THR X 129 THR X 134 I 3 GLY C 86 ? PHE C 94 ? GLY X 111 PHE X 119 I 4 HIS C 43 ? LEU C 49 ? HIS X 68 LEU X 74 I 5 CYS C 54 ? LYS C 56 ? CYS X 79 LYS X 81 J 1 SER C 19 ? LEU C 24 ? SER X 44 LEU X 49 J 2 THR C 104 ? THR C 109 ? THR X 129 THR X 134 J 3 GLY C 86 ? PHE C 94 ? GLY X 111 PHE X 119 J 4 ASN C 97 ? GLU C 100 ? ASN X 122 GLU X 125 J 5 THR D 39 ? PRO D 43 ? THR Y 35 PRO Y 39 J 6 TYR D 27 ? GLU D 31 ? TYR Y 23 GLU Y 27 K 1 GLU D 12 ? VAL D 15 ? GLU Y 8 VAL Y 11 K 2 GLU D 18 ? PRO D 21 ? GLU Y 14 PRO Y 17 L 1 THR D 48 ? TYR D 49 ? THR Y 44 TYR Y 45 L 2 LEU D 60 ? GLN D 61 ? LEU Y 56 GLN Y 57 M 1 LEU D 71 ? ARG D 75 ? LEU Y 67 ARG Y 71 M 2 VAL D 84 ? CYS D 87 ? VAL Y 80 CYS Y 83 N 1 HIS D 91 ? VAL D 95 ? HIS Y 87 VAL Y 91 N 2 ALA D 103 ? ALA D 106 ? ALA Y 99 ALA Y 102 # loop_ _pdbx_struct_sheet_hbond.sheet_id _pdbx_struct_sheet_hbond.range_id_1 _pdbx_struct_sheet_hbond.range_id_2 _pdbx_struct_sheet_hbond.range_1_label_atom_id _pdbx_struct_sheet_hbond.range_1_label_comp_id _pdbx_struct_sheet_hbond.range_1_label_asym_id _pdbx_struct_sheet_hbond.range_1_label_seq_id _pdbx_struct_sheet_hbond.range_1_PDB_ins_code _pdbx_struct_sheet_hbond.range_1_auth_atom_id _pdbx_struct_sheet_hbond.range_1_auth_comp_id _pdbx_struct_sheet_hbond.range_1_auth_asym_id _pdbx_struct_sheet_hbond.range_1_auth_seq_id _pdbx_struct_sheet_hbond.range_2_label_atom_id _pdbx_struct_sheet_hbond.range_2_label_comp_id _pdbx_struct_sheet_hbond.range_2_label_asym_id _pdbx_struct_sheet_hbond.range_2_label_seq_id _pdbx_struct_sheet_hbond.range_2_PDB_ins_code _pdbx_struct_sheet_hbond.range_2_auth_atom_id _pdbx_struct_sheet_hbond.range_2_auth_comp_id _pdbx_struct_sheet_hbond.range_2_auth_asym_id _pdbx_struct_sheet_hbond.range_2_auth_seq_id A 1 2 N GLN A 12 ? N GLN A 37 O LYS A 36 ? O LYS A 61 A 2 3 N PHE A 29 ? N PHE A 54 O PHE A 77 ? O PHE A 102 A 3 4 O ILE A 74 ? O ILE A 99 N SER A 63 ? N SER A 88 B 1 2 N HIS A 21 ? N HIS A 46 O TYR A 107 ? O TYR A 132 B 2 3 O LEU A 106 ? O LEU A 131 N GLY A 86 ? N GLY A 111 B 3 4 O SER A 87 ? O SER A 112 N LEU A 49 ? N LEU A 74 B 4 5 N LYS A 48 ? N LYS A 73 O VAL A 55 ? O VAL A 80 C 1 2 N HIS A 21 ? N HIS A 46 O TYR A 107 ? O TYR A 132 C 2 3 O LEU A 106 ? O LEU A 131 N GLY A 86 ? N GLY A 111 C 3 4 N ALA A 92 ? N ALA A 117 O ILE A 99 ? O ILE A 124 C 4 5 N LEU A 98 ? N LEU A 123 O CYS B 41 ? O CYS B 37 C 5 6 O GLU B 42 ? O GLU B 38 N ARG B 28 ? N ARG B 24 D 1 2 N TYR B 13 ? N TYR B 9 O CYS B 20 ? O CYS B 16 E 1 2 N TYR B 49 ? N TYR B 45 O LEU B 60 ? O LEU B 56 F 1 2 N ARG B 72 ? N ARG B 68 O GLY B 86 ? O GLY B 82 G 1 2 N PHE B 92 ? N PHE B 88 O ARG B 105 ? O ARG B 101 H 1 2 N GLN C 12 ? N GLN X 37 O LYS C 36 ? O LYS X 61 H 2 3 N VAL C 35 ? N VAL X 60 O SER C 71 ? O SER X 96 H 3 4 O ILE C 74 ? O ILE X 99 N SER C 63 ? N SER X 88 I 1 2 N HIS C 21 ? N HIS X 46 O TYR C 107 ? O TYR X 132 I 2 3 O THR C 104 ? O THR X 129 N TYR C 88 ? N TYR X 113 I 3 4 O ASN C 93 ? O ASN X 118 N HIS C 43 ? N HIS X 68 I 4 5 N LYS C 48 ? N LYS X 73 O VAL C 55 ? O VAL X 80 J 1 2 N HIS C 21 ? N HIS X 46 O TYR C 107 ? O TYR X 132 J 2 3 O THR C 104 ? O THR X 129 N TYR C 88 ? N TYR X 113 J 3 4 N PHE C 94 ? N PHE X 119 O ASN C 97 ? O ASN X 122 J 4 5 N LEU C 98 ? N LEU X 123 O CYS D 41 ? O CYS Y 37 J 5 6 O GLU D 42 ? O GLU Y 38 N ARG D 28 ? N ARG Y 24 K 1 2 N VAL D 15 ? N VAL Y 11 O GLU D 18 ? O GLU Y 14 L 1 2 N TYR D 49 ? N TYR Y 45 O LEU D 60 ? O LEU Y 56 M 1 2 N ARG D 72 ? N ARG Y 68 O GLY D 86 ? O GLY Y 82 N 1 2 N ILE D 94 ? N ILE Y 90 O ALA D 103 ? O ALA Y 99 # loop_ _struct_site.id _struct_site.pdbx_evidence_code _struct_site.pdbx_auth_asym_id _struct_site.pdbx_auth_comp_id _struct_site.pdbx_auth_seq_id _struct_site.pdbx_auth_ins_code _struct_site.pdbx_num_residues _struct_site.details AC1 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE NAG B 201' AC2 Software ? ? ? ? 1 'BINDING SITE FOR RESIDUE NAG B 202' AC3 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE NAG Y 201' AC4 Software ? ? ? ? 1 'BINDING SITE FOR RESIDUE FUL Y 202' AC5 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE NI A 1' # loop_ _struct_site_gen.id _struct_site_gen.site_id _struct_site_gen.pdbx_num_res _struct_site_gen.label_comp_id _struct_site_gen.label_asym_id _struct_site_gen.label_seq_id _struct_site_gen.pdbx_auth_ins_code _struct_site_gen.auth_comp_id _struct_site_gen.auth_asym_id _struct_site_gen.auth_seq_id _struct_site_gen.label_atom_id _struct_site_gen.label_alt_id _struct_site_gen.symmetry _struct_site_gen.details 1 AC1 3 SER B 74 ? SER B 70 . ? 1_555 ? 2 AC1 3 ASN B 76 ? ASN B 72 . ? 1_555 ? 3 AC1 3 NAG G . ? NAG B 202 . ? 1_555 ? 4 AC2 1 NAG F . ? NAG B 201 . ? 1_555 ? 5 AC3 3 ARG D 72 ? ARG Y 68 . ? 1_555 ? 6 AC3 3 ASN D 76 ? ASN Y 72 . ? 1_555 ? 7 AC3 3 FUL I . ? FUL Y 202 . ? 1_555 ? 8 AC4 1 NAG H . ? NAG Y 201 . ? 1_555 ? 9 AC5 4 HIS A 114 ? HIS A 139 . ? 3_555 ? 10 AC5 4 HIS A 114 ? HIS A 139 . ? 1_555 ? 11 AC5 4 HIS A 116 ? HIS A 141 . ? 1_555 ? 12 AC5 4 HIS A 116 ? HIS A 141 . ? 3_555 ? # _database_PDB_matrix.entry_id 2AW2 _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 2AW2 _atom_sites.fract_transf_matrix[1][1] 0.020286 _atom_sites.fract_transf_matrix[1][2] 0.000000 _atom_sites.fract_transf_matrix[1][3] 0.000000 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 0.005984 _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] 0.006726 _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 NI O S # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.pdbx_formal_charge _atom_site.auth_seq_id _atom_site.auth_comp_id _atom_site.auth_asym_id _atom_site.auth_atom_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . CYS A 1 9 ? -30.785 -5.744 8.849 1.00 74.10 ? 34 CYS A N 1 ATOM 2 C CA . CYS A 1 9 ? -29.506 -5.033 9.177 1.00 73.14 ? 34 CYS A CA 1 ATOM 3 C C . CYS A 1 9 ? -28.405 -5.990 9.643 1.00 71.43 ? 34 CYS A C 1 ATOM 4 O O . CYS A 1 9 ? -28.653 -7.168 9.911 1.00 69.56 ? 34 CYS A O 1 ATOM 5 C CB . CYS A 1 9 ? -29.744 -3.957 10.246 1.00 74.27 ? 34 CYS A CB 1 ATOM 6 S SG . CYS A 1 9 ? -30.082 -4.589 11.921 1.00 74.57 ? 34 CYS A SG 1 ATOM 7 N N . ASP A 1 10 ? -27.188 -5.464 9.729 1.00 71.10 ? 35 ASP A N 1 ATOM 8 C CA . ASP A 1 10 ? -26.041 -6.213 10.226 1.00 70.31 ? 35 ASP A CA 1 ATOM 9 C C . ASP A 1 10 ? -25.694 -5.698 11.620 1.00 69.14 ? 35 ASP A C 1 ATOM 10 O O . ASP A 1 10 ? -25.600 -4.488 11.828 1.00 70.72 ? 35 ASP A O 1 ATOM 11 C CB . ASP A 1 10 ? -24.844 -6.024 9.287 1.00 72.22 ? 35 ASP A CB 1 ATOM 12 C CG . ASP A 1 10 ? -23.801 -7.121 9.434 1.00 72.91 ? 35 ASP A CG 1 ATOM 13 O OD1 . ASP A 1 10 ? -24.099 -8.284 9.077 1.00 72.38 ? 35 ASP A OD1 1 ATOM 14 O OD2 . ASP A 1 10 ? -22.680 -6.814 9.895 1.00 73.74 ? 35 ASP A OD2 1 ATOM 15 N N . VAL A 1 11 ? -25.522 -6.611 12.574 1.00 66.07 ? 36 VAL A N 1 ATOM 16 C CA . VAL A 1 11 ? -25.095 -6.238 13.922 1.00 64.03 ? 36 VAL A CA 1 ATOM 17 C C . VAL A 1 11 ? -23.595 -5.985 13.876 1.00 61.14 ? 36 VAL A C 1 ATOM 18 O O . VAL A 1 11 ? -22.891 -6.641 13.108 1.00 62.12 ? 36 VAL A O 1 ATOM 19 C CB . VAL A 1 11 ? -25.422 -7.345 14.963 1.00 64.86 ? 36 VAL A CB 1 ATOM 20 C CG1 . VAL A 1 11 ? -24.910 -6.969 16.359 1.00 64.39 ? 36 VAL A CG1 1 ATOM 21 C CG2 . VAL A 1 11 ? -26.921 -7.607 15.007 1.00 64.94 ? 36 VAL A CG2 1 ATOM 22 N N . GLN A 1 12 ? -23.111 -5.030 14.669 1.00 57.06 ? 37 GLN A N 1 ATOM 23 C CA . GLN A 1 12 ? -21.669 -4.746 14.736 1.00 56.58 ? 37 GLN A CA 1 ATOM 24 C C . GLN A 1 12 ? -21.339 -3.829 15.915 1.00 53.60 ? 37 GLN A C 1 ATOM 25 O O . GLN A 1 12 ? -22.202 -3.102 16.399 1.00 55.54 ? 37 GLN A O 1 ATOM 26 C CB . GLN A 1 12 ? -21.176 -4.132 13.411 1.00 55.99 ? 37 GLN A CB 1 ATOM 27 C CG . GLN A 1 12 ? -19.652 -4.007 13.257 1.00 56.15 ? 37 GLN A CG 1 ATOM 28 C CD . GLN A 1 12 ? -18.905 -5.335 13.334 1.00 53.48 ? 37 GLN A CD 1 ATOM 29 O OE1 . GLN A 1 12 ? -18.179 -5.595 14.288 1.00 52.53 ? 37 GLN A OE1 1 ATOM 30 N NE2 . GLN A 1 12 ? -19.064 -6.165 12.319 1.00 53.33 ? 37 GLN A NE2 1 ATOM 31 N N . LEU A 1 13 ? -20.090 -3.887 16.373 1.00 51.53 ? 38 LEU A N 1 ATOM 32 C CA . LEU A 1 13 ? -19.607 -3.088 17.500 1.00 52.28 ? 38 LEU A CA 1 ATOM 33 C C . LEU A 1 13 ? -18.563 -2.082 17.023 1.00 55.28 ? 38 LEU A C 1 ATOM 34 O O . LEU A 1 13 ? -17.626 -2.458 16.311 1.00 61.08 ? 38 LEU A O 1 ATOM 35 C CB . LEU A 1 13 ? -18.986 -4.005 18.548 1.00 49.35 ? 38 LEU A CB 1 ATOM 36 C CG . LEU A 1 13 ? -19.898 -5.135 19.030 1.00 49.17 ? 38 LEU A CG 1 ATOM 37 C CD1 . LEU A 1 13 ? -19.188 -5.993 20.063 1.00 49.54 ? 38 LEU A CD1 1 ATOM 38 C CD2 . LEU A 1 13 ? -21.191 -4.583 19.596 1.00 48.45 ? 38 LEU A CD2 1 ATOM 39 N N . TYR A 1 14 ? -18.709 -0.819 17.426 1.00 53.49 ? 39 TYR A N 1 ATOM 40 C CA . TYR A 1 14 ? -17.926 0.275 16.835 1.00 52.36 ? 39 TYR A CA 1 ATOM 41 C C . TYR A 1 14 ? -16.930 0.933 17.797 1.00 51.01 ? 39 TYR A C 1 ATOM 42 O O . TYR A 1 14 ? -16.963 2.144 18.028 1.00 50.75 ? 39 TYR A O 1 ATOM 43 C CB . TYR A 1 14 ? -18.864 1.315 16.220 1.00 56.26 ? 39 TYR A CB 1 ATOM 44 C CG . TYR A 1 14 ? -19.586 0.802 15.003 1.00 56.57 ? 39 TYR A CG 1 ATOM 45 C CD1 . TYR A 1 14 ? -20.743 0.048 15.123 1.00 58.70 ? 39 TYR A CD1 1 ATOM 46 C CD2 . TYR A 1 14 ? -19.110 1.069 13.728 1.00 57.80 ? 39 TYR A CD2 1 ATOM 47 C CE1 . TYR A 1 14 ? -21.412 -0.426 13.998 1.00 58.90 ? 39 TYR A CE1 1 ATOM 48 C CE2 . TYR A 1 14 ? -19.766 0.603 12.601 1.00 57.71 ? 39 TYR A CE2 1 ATOM 49 C CZ . TYR A 1 14 ? -20.914 -0.146 12.739 1.00 58.58 ? 39 TYR A CZ 1 ATOM 50 O OH . TYR A 1 14 ? -21.560 -0.616 11.619 1.00 58.71 ? 39 TYR A OH 1 ATOM 51 N N . ILE A 1 15 ? -16.035 0.123 18.347 1.00 49.38 ? 40 ILE A N 1 ATOM 52 C CA . ILE A 1 15 ? -14.867 0.643 19.045 1.00 48.27 ? 40 ILE A CA 1 ATOM 53 C C . ILE A 1 15 ? -13.707 0.758 18.062 1.00 47.77 ? 40 ILE A C 1 ATOM 54 O O . ILE A 1 15 ? -13.392 -0.201 17.370 1.00 49.54 ? 40 ILE A O 1 ATOM 55 C CB . ILE A 1 15 ? -14.462 -0.253 20.190 1.00 44.97 ? 40 ILE A CB 1 ATOM 56 C CG1 . ILE A 1 15 ? -15.519 -0.182 21.283 1.00 44.60 ? 40 ILE A CG1 1 ATOM 57 C CG2 . ILE A 1 15 ? -13.111 0.186 20.736 1.00 49.10 ? 40 ILE A CG2 1 ATOM 58 C CD1 . ILE A 1 15 ? -15.265 -1.128 22.429 1.00 48.12 ? 40 ILE A CD1 1 ATOM 59 N N . LYS A 1 16 ? -13.070 1.925 18.007 1.00 49.26 ? 41 LYS A N 1 ATOM 60 C CA . LYS A 1 16 ? -11.991 2.155 17.048 1.00 48.25 ? 41 LYS A CA 1 ATOM 61 C C . LYS A 1 16 ? -10.728 1.444 17.507 1.00 45.82 ? 41 LYS A C 1 ATOM 62 O O . LYS A 1 16 ? -10.481 1.308 18.704 1.00 43.65 ? 41 LYS A O 1 ATOM 63 C CB . LYS A 1 16 ? -11.712 3.649 16.852 1.00 48.52 ? 41 LYS A CB 1 ATOM 64 C CG . LYS A 1 16 ? -10.939 3.959 15.569 1.00 50.85 ? 41 LYS A CG 1 ATOM 65 C CD . LYS A 1 16 ? -10.477 5.418 15.481 1.00 50.99 ? 41 LYS A CD 1 ATOM 66 C CE . LYS A 1 16 ? -9.547 5.629 14.281 1.00 53.01 ? 41 LYS A CE 1 ATOM 67 N NZ . LYS A 1 16 ? -8.821 6.951 14.290 1.00 55.74 ? 41 LYS A NZ 1 ATOM 68 N N . ARG A 1 17 ? -9.934 0.995 16.543 1.00 45.32 ? 42 ARG A N 1 ATOM 69 C CA . ARG A 1 17 ? -8.670 0.342 16.830 1.00 46.38 ? 42 ARG A CA 1 ATOM 70 C C . ARG A 1 17 ? -7.827 1.272 17.689 1.00 44.51 ? 42 ARG A C 1 ATOM 71 O O . ARG A 1 17 ? -7.778 2.478 17.453 1.00 39.49 ? 42 ARG A O 1 ATOM 72 C CB . ARG A 1 17 ? -7.923 -0.012 15.531 1.00 47.23 ? 42 ARG A CB 1 ATOM 73 C CG . ARG A 1 17 ? -7.024 -1.242 15.633 1.00 47.09 ? 42 ARG A CG 1 ATOM 74 C CD . ARG A 1 17 ? -6.011 -1.323 14.489 1.00 48.78 ? 42 ARG A CD 1 ATOM 75 N NE . ARG A 1 17 ? -6.620 -1.208 13.157 1.00 49.60 ? 42 ARG A NE 1 ATOM 76 C CZ . ARG A 1 17 ? -7.266 -2.184 12.514 1.00 47.45 ? 42 ARG A CZ 1 ATOM 77 N NH1 . ARG A 1 17 ? -7.415 -3.382 13.059 1.00 45.35 ? 42 ARG A NH1 1 ATOM 78 N NH2 . ARG A 1 17 ? -7.775 -1.957 11.307 1.00 47.54 ? 42 ARG A NH2 1 ATOM 79 N N . GLN A 1 18 ? -7.189 0.697 18.703 1.00 48.99 ? 43 GLN A N 1 ATOM 80 C CA . GLN A 1 18 ? -6.298 1.428 19.614 1.00 48.23 ? 43 GLN A CA 1 ATOM 81 C C . GLN A 1 18 ? -6.987 2.585 20.326 1.00 45.97 ? 43 GLN A C 1 ATOM 82 O O . GLN A 1 18 ? -6.387 3.627 20.574 1.00 45.21 ? 43 GLN A O 1 ATOM 83 C CB . GLN A 1 18 ? -5.038 1.894 18.880 1.00 48.98 ? 43 GLN A CB 1 ATOM 84 C CG . GLN A 1 18 ? -4.221 0.746 18.320 1.00 50.04 ? 43 GLN A CG 1 ATOM 85 C CD . GLN A 1 18 ? -3.129 1.203 17.386 1.00 50.34 ? 43 GLN A CD 1 ATOM 86 O OE1 . GLN A 1 18 ? -2.665 2.343 17.459 1.00 51.63 ? 43 GLN A OE1 1 ATOM 87 N NE2 . GLN A 1 18 ? -2.714 0.315 16.491 1.00 50.91 ? 43 GLN A NE2 1 ATOM 88 N N . SER A 1 19 ? -8.256 2.382 20.659 1.00 47.68 ? 44 SER A N 1 ATOM 89 C CA . SER A 1 19 ? -8.979 3.299 21.529 1.00 47.69 ? 44 SER A CA 1 ATOM 90 C C . SER A 1 19 ? -8.297 3.325 22.908 1.00 47.16 ? 44 SER A C 1 ATOM 91 O O . SER A 1 19 ? -7.952 2.282 23.454 1.00 48.09 ? 44 SER A O 1 ATOM 92 C CB . SER A 1 19 ? -10.437 2.852 21.648 1.00 44.11 ? 44 SER A CB 1 ATOM 93 O OG . SER A 1 19 ? -11.164 3.640 22.565 1.00 41.99 ? 44 SER A OG 1 ATOM 94 N N . GLU A 1 20 ? -8.073 4.525 23.437 1.00 47.60 ? 45 GLU A N 1 ATOM 95 C CA . GLU A 1 20 ? -7.502 4.710 24.773 1.00 47.85 ? 45 GLU A CA 1 ATOM 96 C C . GLU A 1 20 ? -8.129 5.900 25.504 1.00 46.86 ? 45 GLU A C 1 ATOM 97 O O . GLU A 1 20 ? -8.612 6.849 24.883 1.00 46.38 ? 45 GLU A O 1 ATOM 98 C CB . GLU A 1 20 ? -5.985 4.899 24.697 1.00 47.49 ? 45 GLU A CB 1 ATOM 99 C CG . GLU A 1 20 ? -5.537 5.898 23.660 1.00 48.31 ? 45 GLU A CG 1 ATOM 100 C CD . GLU A 1 20 ? -4.131 6.395 23.893 1.00 50.33 ? 45 GLU A CD 1 ATOM 101 O OE1 . GLU A 1 20 ? -3.958 7.389 24.634 1.00 55.08 ? 45 GLU A OE1 1 ATOM 102 O OE2 . GLU A 1 20 ? -3.194 5.810 23.319 1.00 53.00 ? 45 GLU A OE2 1 ATOM 103 N N . HIS A 1 21 ? -8.119 5.832 26.829 1.00 47.17 ? 46 HIS A N 1 ATOM 104 C CA . HIS A 1 21 ? -8.609 6.915 27.664 1.00 47.39 ? 46 HIS A CA 1 ATOM 105 C C . HIS A 1 21 ? -7.635 7.150 28.812 1.00 48.42 ? 46 HIS A C 1 ATOM 106 O O . HIS A 1 21 ? -7.004 6.215 29.298 1.00 47.78 ? 46 HIS A O 1 ATOM 107 C CB . HIS A 1 21 ? -10.002 6.585 28.198 1.00 45.76 ? 46 HIS A CB 1 ATOM 108 C CG . HIS A 1 21 ? -11.019 6.347 27.125 1.00 44.18 ? 46 HIS A CG 1 ATOM 109 N ND1 . HIS A 1 21 ? -11.701 7.369 26.505 1.00 42.11 ? 46 HIS A ND1 1 ATOM 110 C CD2 . HIS A 1 21 ? -11.464 5.199 26.559 1.00 45.39 ? 46 HIS A CD2 1 ATOM 111 C CE1 . HIS A 1 21 ? -12.522 6.861 25.602 1.00 44.69 ? 46 HIS A CE1 1 ATOM 112 N NE2 . HIS A 1 21 ? -12.397 5.545 25.613 1.00 42.11 ? 46 HIS A NE2 1 ATOM 113 N N . SER A 1 22 ? -7.501 8.408 29.221 1.00 50.60 ? 47 SER A N 1 ATOM 114 C CA . SER A 1 22 ? -6.613 8.785 30.320 1.00 48.20 ? 47 SER A CA 1 ATOM 115 C C . SER A 1 22 ? -7.425 9.503 31.361 1.00 49.05 ? 47 SER A C 1 ATOM 116 O O . SER A 1 22 ? -7.971 10.567 31.099 1.00 53.34 ? 47 SER A O 1 ATOM 117 C CB . SER A 1 22 ? -5.490 9.680 29.829 1.00 45.67 ? 47 SER A CB 1 ATOM 118 O OG . SER A 1 22 ? -4.525 8.889 29.164 1.00 48.24 ? 47 SER A OG 1 ATOM 119 N N . ILE A 1 23 ? -7.483 8.916 32.548 1.00 49.77 ? 48 ILE A N 1 ATOM 120 C CA . ILE A 1 23 ? -8.430 9.311 33.573 1.00 49.39 ? 48 ILE A CA 1 ATOM 121 C C . ILE A 1 23 ? -7.773 9.246 34.933 1.00 48.70 ? 48 ILE A C 1 ATOM 122 O O . ILE A 1 23 ? -6.729 8.612 35.089 1.00 50.40 ? 48 ILE A O 1 ATOM 123 C CB . ILE A 1 23 ? -9.638 8.366 33.570 1.00 52.09 ? 48 ILE A CB 1 ATOM 124 C CG1 . ILE A 1 23 ? -9.182 6.914 33.738 1.00 53.28 ? 48 ILE A CG1 1 ATOM 125 C CG2 . ILE A 1 23 ? -10.416 8.514 32.269 1.00 54.91 ? 48 ILE A CG2 1 ATOM 126 C CD1 . ILE A 1 23 ? -10.292 5.910 33.614 1.00 54.79 ? 48 ILE A CD1 1 ATOM 127 N N . LEU A 1 24 ? -8.404 9.886 35.912 1.00 46.61 ? 49 LEU A N 1 ATOM 128 C CA . LEU A 1 24 ? -7.909 9.913 37.284 1.00 44.35 ? 49 LEU A CA 1 ATOM 129 C C . LEU A 1 24 ? -8.642 8.920 38.162 1.00 43.30 ? 49 LEU A C 1 ATOM 130 O O . LEU A 1 24 ? -9.866 8.886 38.177 1.00 46.36 ? 49 LEU A O 1 ATOM 131 C CB . LEU A 1 24 ? -8.098 11.301 37.884 1.00 41.96 ? 49 LEU A CB 1 ATOM 132 C CG . LEU A 1 24 ? -7.579 12.483 37.069 1.00 43.96 ? 49 LEU A CG 1 ATOM 133 C CD1 . LEU A 1 24 ? -7.732 13.762 37.876 1.00 44.67 ? 49 LEU A CD1 1 ATOM 134 C CD2 . LEU A 1 24 ? -6.123 12.271 36.653 1.00 45.57 ? 49 LEU A CD2 1 ATOM 135 N N . ALA A 1 25 ? -7.896 8.124 38.917 1.00 45.17 ? 50 ALA A N 1 ATOM 136 C CA . ALA A 1 25 ? -8.497 7.347 39.990 1.00 43.81 ? 50 ALA A CA 1 ATOM 137 C C . ALA A 1 25 ? -9.163 8.341 40.920 1.00 42.76 ? 50 ALA A C 1 ATOM 138 O O . ALA A 1 25 ? -8.574 9.366 41.247 1.00 43.59 ? 50 ALA A O 1 ATOM 139 C CB . ALA A 1 25 ? -7.447 6.555 40.730 1.00 42.90 ? 50 ALA A CB 1 ATOM 140 N N . GLY A 1 26 ? -10.398 8.063 41.317 1.00 44.64 ? 51 GLY A N 1 ATOM 141 C CA . GLY A 1 26 ? -11.124 8.952 42.229 1.00 45.54 ? 51 GLY A CA 1 ATOM 142 C C . GLY A 1 26 ? -12.300 9.617 41.552 1.00 46.72 ? 51 GLY A C 1 ATOM 143 O O . GLY A 1 26 ? -13.312 9.892 42.188 1.00 49.54 ? 51 GLY A O 1 ATOM 144 N N . ASP A 1 27 ? -12.165 9.885 40.260 1.00 47.94 ? 52 ASP A N 1 ATOM 145 C CA . ASP A 1 27 ? -13.261 10.434 39.476 1.00 49.19 ? 52 ASP A CA 1 ATOM 146 C C . ASP A 1 27 ? -14.141 9.296 38.964 1.00 50.77 ? 52 ASP A C 1 ATOM 147 O O . ASP A 1 27 ? -13.697 8.150 38.902 1.00 53.53 ? 52 ASP A O 1 ATOM 148 C CB . ASP A 1 27 ? -12.710 11.239 38.295 1.00 50.40 ? 52 ASP A CB 1 ATOM 149 C CG . ASP A 1 27 ? -11.925 12.463 38.732 1.00 50.85 ? 52 ASP A CG 1 ATOM 150 O OD1 . ASP A 1 27 ? -12.211 13.008 39.820 1.00 52.86 ? 52 ASP A OD1 1 ATOM 151 O OD2 . ASP A 1 27 ? -11.028 12.890 37.976 1.00 49.64 ? 52 ASP A OD2 1 ATOM 152 N N . PRO A 1 28 ? -15.400 9.602 38.605 1.00 50.31 ? 53 PRO A N 1 ATOM 153 C CA . PRO A 1 28 ? -16.245 8.627 37.905 1.00 49.81 ? 53 PRO A CA 1 ATOM 154 C C . PRO A 1 28 ? -15.929 8.575 36.414 1.00 48.45 ? 53 PRO A C 1 ATOM 155 O O . PRO A 1 28 ? -15.379 9.524 35.871 1.00 49.13 ? 53 PRO A O 1 ATOM 156 C CB . PRO A 1 28 ? -17.650 9.167 38.125 1.00 49.31 ? 53 PRO A CB 1 ATOM 157 C CG . PRO A 1 28 ? -17.460 10.645 38.222 1.00 50.03 ? 53 PRO A CG 1 ATOM 158 C CD . PRO A 1 28 ? -16.111 10.870 38.847 1.00 49.17 ? 53 PRO A CD 1 ATOM 159 N N . PHE A 1 29 ? -16.278 7.474 35.762 1.00 49.69 ? 54 PHE A N 1 ATOM 160 C CA . PHE A 1 29 ? -16.019 7.312 34.339 1.00 50.39 ? 54 PHE A CA 1 ATOM 161 C C . PHE A 1 29 ? -16.884 6.201 33.758 1.00 51.64 ? 54 PHE A C 1 ATOM 162 O O . PHE A 1 29 ? -17.177 5.214 34.422 1.00 52.72 ? 54 PHE A O 1 ATOM 163 C CB . PHE A 1 29 ? -14.544 6.984 34.121 1.00 51.68 ? 54 PHE A CB 1 ATOM 164 C CG . PHE A 1 29 ? -14.132 6.934 32.680 1.00 51.61 ? 54 PHE A CG 1 ATOM 165 C CD1 . PHE A 1 29 ? -13.977 8.100 31.948 1.00 53.15 ? 54 PHE A CD1 1 ATOM 166 C CD2 . PHE A 1 29 ? -13.883 5.725 32.059 1.00 52.30 ? 54 PHE A CD2 1 ATOM 167 C CE1 . PHE A 1 29 ? -13.587 8.062 30.622 1.00 51.01 ? 54 PHE A CE1 1 ATOM 168 C CE2 . PHE A 1 29 ? -13.491 5.681 30.734 1.00 52.28 ? 54 PHE A CE2 1 ATOM 169 C CZ . PHE A 1 29 ? -13.343 6.849 30.017 1.00 52.22 ? 54 PHE A CZ 1 ATOM 170 N N . GLU A 1 30 ? -17.284 6.369 32.507 1.00 54.56 ? 55 GLU A N 1 ATOM 171 C CA . GLU A 1 30 ? -18.044 5.355 31.798 1.00 54.79 ? 55 GLU A CA 1 ATOM 172 C C . GLU A 1 30 ? -17.304 5.021 30.523 1.00 52.51 ? 55 GLU A C 1 ATOM 173 O O . GLU A 1 30 ? -16.839 5.921 29.833 1.00 51.76 ? 55 GLU A O 1 ATOM 174 C CB . GLU A 1 30 ? -19.436 5.873 31.423 1.00 56.74 ? 55 GLU A CB 1 ATOM 175 C CG . GLU A 1 30 ? -19.937 7.050 32.237 1.00 59.63 ? 55 GLU A CG 1 ATOM 176 C CD . GLU A 1 30 ? -21.261 7.578 31.717 1.00 62.25 ? 55 GLU A CD 1 ATOM 177 O OE1 . GLU A 1 30 ? -22.316 6.970 32.016 1.00 64.69 ? 55 GLU A OE1 1 ATOM 178 O OE2 . GLU A 1 30 ? -21.242 8.611 31.012 1.00 67.48 ? 55 GLU A OE2 1 ATOM 179 N N . LEU A 1 31 ? -17.180 3.732 30.221 1.00 52.65 ? 56 LEU A N 1 ATOM 180 C CA . LEU A 1 31 ? -16.824 3.292 28.873 1.00 50.69 ? 56 LEU A CA 1 ATOM 181 C C . LEU A 1 31 ? -18.108 2.935 28.162 1.00 50.09 ? 56 LEU A C 1 ATOM 182 O O . LEU A 1 31 ? -19.021 2.381 28.769 1.00 50.14 ? 56 LEU A O 1 ATOM 183 C CB . LEU A 1 31 ? -15.931 2.065 28.894 1.00 51.05 ? 56 LEU A CB 1 ATOM 184 C CG . LEU A 1 31 ? -14.465 2.273 29.224 1.00 51.07 ? 56 LEU A CG 1 ATOM 185 C CD1 . LEU A 1 31 ? -13.796 0.912 29.328 1.00 51.64 ? 56 LEU A CD1 1 ATOM 186 C CD2 . LEU A 1 31 ? -13.797 3.137 28.177 1.00 51.05 ? 56 LEU A CD2 1 ATOM 187 N N . GLU A 1 32 ? -18.161 3.242 26.871 1.00 49.31 ? 57 GLU A N 1 ATOM 188 C CA . GLU A 1 32 ? -19.373 3.087 26.087 1.00 46.20 ? 57 GLU A CA 1 ATOM 189 C C . GLU A 1 32 ? -19.045 2.256 24.873 1.00 42.42 ? 57 GLU A C 1 ATOM 190 O O . GLU A 1 32 ? -18.262 2.667 24.042 1.00 43.88 ? 57 GLU A O 1 ATOM 191 C CB . GLU A 1 32 ? -19.914 4.455 25.669 1.00 44.73 ? 57 GLU A CB 1 ATOM 192 C CG . GLU A 1 32 ? -19.759 5.507 26.748 1.00 45.03 ? 57 GLU A CG 1 ATOM 193 C CD . GLU A 1 32 ? -20.664 6.704 26.577 1.00 47.78 ? 57 GLU A CD 1 ATOM 194 O OE1 . GLU A 1 32 ? -21.756 6.560 25.977 1.00 49.67 ? 57 GLU A OE1 1 ATOM 195 O OE2 . GLU A 1 32 ? -20.288 7.791 27.079 1.00 49.19 ? 57 GLU A OE2 1 ATOM 196 N N . CYS A 1 33 ? -19.636 1.074 24.795 1.00 45.82 ? 58 CYS A N 1 ATOM 197 C CA . CYS A 1 33 ? -19.462 0.188 23.659 1.00 46.86 ? 58 CYS A CA 1 ATOM 198 C C . CYS A 1 33 ? -20.632 0.444 22.714 1.00 47.37 ? 58 CYS A C 1 ATOM 199 O O . CYS A 1 33 ? -21.760 0.080 23.044 1.00 49.75 ? 58 CYS A O 1 ATOM 200 C CB . CYS A 1 33 ? -19.440 -1.263 24.149 1.00 50.59 ? 58 CYS A CB 1 ATOM 201 S SG . CYS A 1 33 ? -19.808 -2.532 22.938 1.00 53.91 ? 58 CYS A SG 1 ATOM 202 N N . PRO A 1 34 ? -20.382 1.101 21.557 1.00 43.98 ? 59 PRO A N 1 ATOM 203 C CA . PRO A 1 34 ? -21.464 1.399 20.629 1.00 44.24 ? 59 PRO A CA 1 ATOM 204 C C . PRO A 1 34 ? -21.961 0.165 19.884 1.00 44.75 ? 59 PRO A C 1 ATOM 205 O O . PRO A 1 34 ? -21.184 -0.478 19.170 1.00 45.56 ? 59 PRO A O 1 ATOM 206 C CB . PRO A 1 34 ? -20.824 2.387 19.639 1.00 43.08 ? 59 PRO A CB 1 ATOM 207 C CG . PRO A 1 34 ? -19.535 2.757 20.209 1.00 43.48 ? 59 PRO A CG 1 ATOM 208 C CD . PRO A 1 34 ? -19.107 1.614 21.040 1.00 43.66 ? 59 PRO A CD 1 ATOM 209 N N . VAL A 1 35 ? -23.249 -0.142 20.042 1.00 43.93 ? 60 VAL A N 1 ATOM 210 C CA . VAL A 1 35 ? -23.858 -1.325 19.436 1.00 46.60 ? 60 VAL A CA 1 ATOM 211 C C . VAL A 1 35 ? -24.849 -0.927 18.353 1.00 47.41 ? 60 VAL A C 1 ATOM 212 O O . VAL A 1 35 ? -25.712 -0.078 18.580 1.00 45.41 ? 60 VAL A O 1 ATOM 213 C CB . VAL A 1 35 ? -24.605 -2.167 20.486 1.00 47.73 ? 60 VAL A CB 1 ATOM 214 C CG1 . VAL A 1 35 ? -25.184 -3.424 19.849 1.00 48.43 ? 60 VAL A CG1 1 ATOM 215 C CG2 . VAL A 1 35 ? -23.672 -2.531 21.644 1.00 49.74 ? 60 VAL A CG2 1 ATOM 216 N N . LYS A 1 36 ? -24.727 -1.550 17.182 1.00 51.33 ? 61 LYS A N 1 ATOM 217 C CA . LYS A 1 36 ? -25.668 -1.335 16.087 1.00 52.61 ? 61 LYS A CA 1 ATOM 218 C C . LYS A 1 36 ? -26.566 -2.553 15.938 1.00 51.37 ? 61 LYS A C 1 ATOM 219 O O . LYS A 1 36 ? -26.099 -3.684 15.935 1.00 51.41 ? 61 LYS A O 1 ATOM 220 C CB . LYS A 1 36 ? -24.928 -1.071 14.781 1.00 55.39 ? 61 LYS A CB 1 ATOM 221 C CG . LYS A 1 36 ? -25.827 -0.656 13.621 1.00 56.11 ? 61 LYS A CG 1 ATOM 222 C CD . LYS A 1 36 ? -25.010 -0.409 12.349 1.00 57.96 ? 61 LYS A CD 1 ATOM 223 C CE . LYS A 1 36 ? -25.855 0.227 11.244 1.00 59.65 ? 61 LYS A CE 1 ATOM 224 N NZ . LYS A 1 36 ? -26.747 -0.754 10.547 1.00 61.45 ? 61 LYS A NZ 1 ATOM 225 N N . TYR A 1 37 ? -27.862 -2.305 15.841 1.00 53.60 ? 62 TYR A N 1 ATOM 226 C CA . TYR A 1 37 ? -28.844 -3.353 15.603 1.00 57.07 ? 62 TYR A CA 1 ATOM 227 C C . TYR A 1 37 ? -30.125 -2.700 15.112 1.00 59.37 ? 62 TYR A C 1 ATOM 228 O O . TYR A 1 37 ? -30.182 -1.480 14.947 1.00 60.84 ? 62 TYR A O 1 ATOM 229 C CB . TYR A 1 37 ? -29.099 -4.176 16.872 1.00 56.27 ? 62 TYR A CB 1 ATOM 230 C CG . TYR A 1 37 ? -29.840 -3.448 17.978 1.00 56.12 ? 62 TYR A CG 1 ATOM 231 C CD1 . TYR A 1 37 ? -29.180 -2.560 18.819 1.00 56.36 ? 62 TYR A CD1 1 ATOM 232 C CD2 . TYR A 1 37 ? -31.193 -3.667 18.196 1.00 55.74 ? 62 TYR A CD2 1 ATOM 233 C CE1 . TYR A 1 37 ? -29.850 -1.901 19.837 1.00 55.29 ? 62 TYR A CE1 1 ATOM 234 C CE2 . TYR A 1 37 ? -31.871 -3.014 19.214 1.00 56.20 ? 62 TYR A CE2 1 ATOM 235 C CZ . TYR A 1 37 ? -31.192 -2.132 20.028 1.00 55.67 ? 62 TYR A CZ 1 ATOM 236 O OH . TYR A 1 37 ? -31.856 -1.482 21.041 1.00 55.97 ? 62 TYR A OH 1 ATOM 237 N N . CYS A 1 38 ? -31.150 -3.504 14.874 1.00 61.94 ? 63 CYS A N 1 ATOM 238 C CA . CYS A 1 38 ? -32.424 -2.961 14.421 1.00 64.52 ? 63 CYS A CA 1 ATOM 239 C C . CYS A 1 38 ? -33.602 -3.758 14.963 1.00 65.17 ? 63 CYS A C 1 ATOM 240 O O . CYS A 1 38 ? -34.526 -3.185 15.543 1.00 64.52 ? 63 CYS A O 1 ATOM 241 C CB . CYS A 1 38 ? -32.452 -2.910 12.894 1.00 68.35 ? 63 CYS A CB 1 ATOM 242 S SG . CYS A 1 38 ? -32.110 -4.490 12.102 1.00 71.61 ? 63 CYS A SG 1 ATOM 243 N N . ALA A 1 39 ? -33.563 -5.075 14.779 1.00 65.63 ? 64 ALA A N 1 ATOM 244 C CA . ALA A 1 39 ? -34.633 -5.953 15.253 1.00 64.87 ? 64 ALA A CA 1 ATOM 245 C C . ALA A 1 39 ? -34.560 -6.147 16.778 1.00 63.06 ? 64 ALA A C 1 ATOM 246 O O . ALA A 1 39 ? -35.127 -5.356 17.533 1.00 60.96 ? 64 ALA A O 1 ATOM 247 C CB . ALA A 1 39 ? -34.588 -7.303 14.504 1.00 64.51 ? 64 ALA A CB 1 ATOM 248 N N . ASN A 1 40 ? -33.849 -7.181 17.221 1.00 62.84 ? 65 ASN A N 1 ATOM 249 C CA . ASN A 1 40 ? -33.751 -7.518 18.637 1.00 62.45 ? 65 ASN A CA 1 ATOM 250 C C . ASN A 1 40 ? -32.403 -7.084 19.183 1.00 60.53 ? 65 ASN A C 1 ATOM 251 O O . ASN A 1 40 ? -31.372 -7.340 18.560 1.00 59.98 ? 65 ASN A O 1 ATOM 252 C CB . ASN A 1 40 ? -33.918 -9.026 18.841 1.00 64.68 ? 65 ASN A CB 1 ATOM 253 C CG . ASN A 1 40 ? -35.120 -9.585 18.104 1.00 66.82 ? 65 ASN A CG 1 ATOM 254 O OD1 . ASN A 1 40 ? -35.179 -9.543 16.874 1.00 68.12 ? 65 ASN A OD1 1 ATOM 255 N ND2 . ASN A 1 40 ? -36.083 -10.118 18.851 1.00 67.08 ? 65 ASN A ND2 1 ATOM 256 N N . ARG A 1 41 ? -32.407 -6.439 20.346 1.00 58.47 ? 66 ARG A N 1 ATOM 257 C CA . ARG A 1 41 ? -31.164 -6.028 20.978 1.00 58.21 ? 66 ARG A CA 1 ATOM 258 C C . ARG A 1 41 ? -30.378 -7.269 21.408 1.00 57.52 ? 66 ARG A C 1 ATOM 259 O O . ARG A 1 41 ? -30.939 -8.156 22.053 1.00 55.63 ? 66 ARG A O 1 ATOM 260 C CB . ARG A 1 41 ? -31.434 -5.135 22.181 1.00 57.18 ? 66 ARG A CB 1 ATOM 261 C CG . ARG A 1 41 ? -30.205 -4.391 22.668 1.00 58.30 ? 66 ARG A CG 1 ATOM 262 C CD . ARG A 1 41 ? -30.509 -3.614 23.932 1.00 58.91 ? 66 ARG A CD 1 ATOM 263 N NE . ARG A 1 41 ? -30.678 -4.503 25.080 1.00 59.46 ? 66 ARG A NE 1 ATOM 264 C CZ . ARG A 1 41 ? -31.135 -4.126 26.271 1.00 59.69 ? 66 ARG A CZ 1 ATOM 265 N NH1 . ARG A 1 41 ? -31.479 -2.860 26.498 1.00 59.52 ? 66 ARG A NH1 1 ATOM 266 N NH2 . ARG A 1 41 ? -31.247 -5.023 27.247 1.00 59.32 ? 66 ARG A NH2 1 ATOM 267 N N . PRO A 1 42 ? -29.085 -7.344 21.033 1.00 56.59 ? 67 PRO A N 1 ATOM 268 C CA . PRO A 1 42 ? -28.263 -8.497 21.381 1.00 56.77 ? 67 PRO A CA 1 ATOM 269 C C . PRO A 1 42 ? -27.772 -8.455 22.821 1.00 57.03 ? 67 PRO A C 1 ATOM 270 O O . PRO A 1 42 ? -27.620 -7.377 23.394 1.00 57.32 ? 67 PRO A O 1 ATOM 271 C CB . PRO A 1 42 ? -27.076 -8.375 20.422 1.00 56.25 ? 67 PRO A CB 1 ATOM 272 C CG . PRO A 1 42 ? -26.934 -6.922 20.207 1.00 55.63 ? 67 PRO A CG 1 ATOM 273 C CD . PRO A 1 42 ? -28.324 -6.352 20.249 1.00 55.25 ? 67 PRO A CD 1 ATOM 274 N N . HIS A 1 43 ? -27.524 -9.629 23.391 1.00 58.26 ? 68 HIS A N 1 ATOM 275 C CA . HIS A 1 43 ? -26.938 -9.728 24.718 1.00 57.34 ? 68 HIS A CA 1 ATOM 276 C C . HIS A 1 43 ? -25.463 -9.338 24.636 1.00 57.00 ? 68 HIS A C 1 ATOM 277 O O . HIS A 1 43 ? -24.667 -10.031 24.004 1.00 58.08 ? 68 HIS A O 1 ATOM 278 C CB . HIS A 1 43 ? -27.093 -11.144 25.276 1.00 59.46 ? 68 HIS A CB 1 ATOM 279 C CG . HIS A 1 43 ? -26.393 -11.358 26.582 1.00 61.66 ? 68 HIS A CG 1 ATOM 280 N ND1 . HIS A 1 43 ? -25.587 -12.450 26.825 1.00 63.24 ? 68 HIS A ND1 1 ATOM 281 C CD2 . HIS A 1 43 ? -26.365 -10.610 27.712 1.00 63.01 ? 68 HIS A CD2 1 ATOM 282 C CE1 . HIS A 1 43 ? -25.103 -12.373 28.052 1.00 63.21 ? 68 HIS A CE1 1 ATOM 283 N NE2 . HIS A 1 43 ? -25.558 -11.264 28.611 1.00 63.48 ? 68 HIS A NE2 1 ATOM 284 N N . VAL A 1 44 ? -25.117 -8.223 25.273 1.00 55.65 ? 69 VAL A N 1 ATOM 285 C CA . VAL A 1 44 ? -23.758 -7.696 25.272 1.00 54.00 ? 69 VAL A CA 1 ATOM 286 C C . VAL A 1 44 ? -23.149 -7.849 26.655 1.00 53.33 ? 69 VAL A C 1 ATOM 287 O O . VAL A 1 44 ? -23.856 -7.777 27.660 1.00 55.18 ? 69 VAL A O 1 ATOM 288 C CB . VAL A 1 44 ? -23.746 -6.203 24.882 1.00 54.38 ? 69 VAL A CB 1 ATOM 289 C CG1 . VAL A 1 44 ? -22.325 -5.669 24.759 1.00 55.07 ? 69 VAL A CG1 1 ATOM 290 C CG2 . VAL A 1 44 ? -24.491 -6.002 23.575 1.00 55.45 ? 69 VAL A CG2 1 ATOM 291 N N . THR A 1 45 ? -21.838 -8.070 26.700 1.00 52.02 ? 70 THR A N 1 ATOM 292 C CA . THR A 1 45 ? -21.092 -8.066 27.957 1.00 51.48 ? 70 THR A CA 1 ATOM 293 C C . THR A 1 45 ? -19.760 -7.337 27.783 1.00 51.60 ? 70 THR A C 1 ATOM 294 O O . THR A 1 45 ? -19.287 -7.156 26.662 1.00 50.51 ? 70 THR A O 1 ATOM 295 C CB . THR A 1 45 ? -20.832 -9.492 28.456 1.00 49.37 ? 70 THR A CB 1 ATOM 296 O OG1 . THR A 1 45 ? -20.258 -10.263 27.405 1.00 51.07 ? 70 THR A OG1 1 ATOM 297 C CG2 . THR A 1 45 ? -22.125 -10.153 28.888 1.00 50.10 ? 70 THR A CG2 1 ATOM 298 N N . TRP A 1 46 ? -19.183 -6.899 28.899 1.00 51.91 ? 71 TRP A N 1 ATOM 299 C CA . TRP A 1 46 ? -17.840 -6.323 28.924 1.00 51.00 ? 71 TRP A CA 1 ATOM 300 C C . TRP A 1 46 ? -16.900 -7.311 29.605 1.00 50.16 ? 71 TRP A C 1 ATOM 301 O O . TRP A 1 46 ? -17.318 -8.085 30.458 1.00 51.02 ? 71 TRP A O 1 ATOM 302 C CB . TRP A 1 46 ? -17.818 -4.994 29.688 1.00 50.76 ? 71 TRP A CB 1 ATOM 303 C CG . TRP A 1 46 ? -18.088 -3.748 28.861 1.00 51.24 ? 71 TRP A CG 1 ATOM 304 C CD1 . TRP A 1 46 ? -19.254 -3.030 28.810 1.00 51.60 ? 71 TRP A CD1 1 ATOM 305 C CD2 . TRP A 1 46 ? -17.165 -3.062 28.007 1.00 51.46 ? 71 TRP A CD2 1 ATOM 306 N NE1 . TRP A 1 46 ? -19.113 -1.947 27.975 1.00 50.58 ? 71 TRP A NE1 1 ATOM 307 C CE2 . TRP A 1 46 ? -17.844 -1.944 27.466 1.00 51.11 ? 71 TRP A CE2 1 ATOM 308 C CE3 . TRP A 1 46 ? -15.832 -3.285 27.639 1.00 51.01 ? 71 TRP A CE3 1 ATOM 309 C CZ2 . TRP A 1 46 ? -17.234 -1.053 26.582 1.00 51.36 ? 71 TRP A CZ2 1 ATOM 310 C CZ3 . TRP A 1 46 ? -15.230 -2.400 26.754 1.00 51.08 ? 71 TRP A CZ3 1 ATOM 311 C CH2 . TRP A 1 46 ? -15.935 -1.300 26.231 1.00 50.98 ? 71 TRP A CH2 1 ATOM 312 N N . CYS A 1 47 ? -15.630 -7.291 29.224 1.00 51.14 ? 72 CYS A N 1 ATOM 313 C CA . CYS A 1 47 ? -14.624 -8.070 29.939 1.00 52.62 ? 72 CYS A CA 1 ATOM 314 C C . CYS A 1 47 ? -13.266 -7.388 29.884 1.00 52.35 ? 72 CYS A C 1 ATOM 315 O O . CYS A 1 47 ? -12.925 -6.741 28.896 1.00 50.16 ? 72 CYS A O 1 ATOM 316 C CB . CYS A 1 47 ? -14.539 -9.499 29.395 1.00 54.68 ? 72 CYS A CB 1 ATOM 317 S SG . CYS A 1 47 ? -14.195 -9.660 27.640 1.00 56.94 ? 72 CYS A SG 1 ATOM 318 N N . LYS A 1 48 ? -12.512 -7.517 30.971 1.00 54.27 ? 73 LYS A N 1 ATOM 319 C CA . LYS A 1 48 ? -11.150 -7.005 31.045 1.00 54.74 ? 73 LYS A CA 1 ATOM 320 C C . LYS A 1 48 ? -10.174 -8.088 30.585 1.00 54.84 ? 73 LYS A C 1 ATOM 321 O O . LYS A 1 48 ? -10.302 -9.256 30.960 1.00 53.94 ? 73 LYS A O 1 ATOM 322 C CB . LYS A 1 48 ? -10.829 -6.578 32.474 1.00 54.40 ? 73 LYS A CB 1 ATOM 323 C CG . LYS A 1 48 ? -9.475 -5.923 32.651 1.00 53.90 ? 73 LYS A CG 1 ATOM 324 C CD . LYS A 1 48 ? -9.392 -5.238 34.003 1.00 53.84 ? 73 LYS A CD 1 ATOM 325 C CE . LYS A 1 48 ? -8.016 -4.675 34.252 1.00 54.54 ? 73 LYS A CE 1 ATOM 326 N NZ . LYS A 1 48 ? -8.000 -3.675 35.354 1.00 54.93 ? 73 LYS A NZ 1 ATOM 327 N N . LEU A 1 49 ? -9.210 -7.690 29.763 1.00 55.88 ? 74 LEU A N 1 ATOM 328 C CA . LEU A 1 49 ? -8.192 -8.601 29.255 1.00 58.40 ? 74 LEU A CA 1 ATOM 329 C C . LEU A 1 49 ? -7.037 -8.705 30.254 1.00 57.29 ? 74 LEU A C 1 ATOM 330 O O . LEU A 1 49 ? -6.526 -7.689 30.725 1.00 56.18 ? 74 LEU A O 1 ATOM 331 C CB . LEU A 1 49 ? -7.680 -8.103 27.898 1.00 59.11 ? 74 LEU A CB 1 ATOM 332 C CG . LEU A 1 49 ? -8.729 -7.917 26.789 1.00 58.40 ? 74 LEU A CG 1 ATOM 333 C CD1 . LEU A 1 49 ? -8.165 -7.084 25.655 1.00 58.38 ? 74 LEU A CD1 1 ATOM 334 C CD2 . LEU A 1 49 ? -9.218 -9.255 26.255 1.00 58.78 ? 74 LEU A CD2 1 ATOM 335 N N . ASN A 1 50 ? -6.644 -9.931 30.585 1.00 59.73 ? 75 ASN A N 1 ATOM 336 C CA . ASN A 1 50 ? -5.510 -10.174 31.492 1.00 63.52 ? 75 ASN A CA 1 ATOM 337 C C . ASN A 1 50 ? -4.364 -10.934 30.821 1.00 64.20 ? 75 ASN A C 1 ATOM 338 O O . ASN A 1 50 ? -3.483 -11.458 31.500 1.00 67.01 ? 75 ASN A O 1 ATOM 339 C CB . ASN A 1 50 ? -5.969 -10.920 32.757 1.00 66.24 ? 75 ASN A CB 1 ATOM 340 C CG . ASN A 1 50 ? -6.422 -12.355 32.481 1.00 67.81 ? 75 ASN A CG 1 ATOM 341 O OD1 . ASN A 1 50 ? -7.016 -13.001 33.348 1.00 69.35 ? 75 ASN A OD1 1 ATOM 342 N ND2 . ASN A 1 50 ? -6.141 -12.857 31.280 1.00 68.45 ? 75 ASN A ND2 1 ATOM 343 N N . GLY A 1 51 ? -4.388 -10.987 29.492 1.00 64.10 ? 76 GLY A N 1 ATOM 344 C CA . GLY A 1 51 ? -3.396 -11.717 28.716 1.00 64.59 ? 76 GLY A CA 1 ATOM 345 C C . GLY A 1 51 ? -4.080 -12.580 27.678 1.00 64.79 ? 76 GLY A C 1 ATOM 346 O O . GLY A 1 51 ? -4.493 -12.088 26.626 1.00 65.05 ? 76 GLY A O 1 ATOM 347 N N . THR A 1 52 ? -4.212 -13.867 27.983 1.00 65.36 ? 77 THR A N 1 ATOM 348 C CA . THR A 1 52 ? -4.868 -14.816 27.088 1.00 65.52 ? 77 THR A CA 1 ATOM 349 C C . THR A 1 52 ? -6.386 -14.723 27.209 1.00 65.57 ? 77 THR A C 1 ATOM 350 O O . THR A 1 52 ? -7.088 -14.680 26.200 1.00 67.20 ? 77 THR A O 1 ATOM 351 C CB . THR A 1 52 ? -4.396 -16.241 27.379 1.00 65.87 ? 77 THR A CB 1 ATOM 352 N N . THR A 1 53 ? -6.888 -14.678 28.440 1.00 64.29 ? 78 THR A N 1 ATOM 353 C CA . THR A 1 53 ? -8.333 -14.696 28.688 1.00 64.64 ? 78 THR A CA 1 ATOM 354 C C . THR A 1 53 ? -8.925 -13.298 28.841 1.00 62.95 ? 78 THR A C 1 ATOM 355 O O . THR A 1 53 ? -8.269 -12.396 29.356 1.00 61.58 ? 78 THR A O 1 ATOM 356 C CB . THR A 1 53 ? -8.669 -15.495 29.968 1.00 65.47 ? 78 THR A CB 1 ATOM 357 O OG1 . THR A 1 53 ? -8.124 -14.829 31.115 1.00 65.44 ? 78 THR A OG1 1 ATOM 358 C CG2 . THR A 1 53 ? -8.108 -16.913 29.884 1.00 65.78 ? 78 THR A CG2 1 ATOM 359 N N . CYS A 1 54 ? -10.167 -13.132 28.385 1.00 63.11 ? 79 CYS A N 1 ATOM 360 C CA . CYS A 1 54 ? -10.961 -11.945 28.694 1.00 63.51 ? 79 CYS A CA 1 ATOM 361 C C . CYS A 1 54 ? -11.943 -12.313 29.805 1.00 62.98 ? 79 CYS A C 1 ATOM 362 O O . CYS A 1 54 ? -12.901 -13.049 29.573 1.00 63.12 ? 79 CYS A O 1 ATOM 363 C CB . CYS A 1 54 ? -11.707 -11.435 27.453 1.00 62.30 ? 79 CYS A CB 1 ATOM 364 S SG . CYS A 1 54 ? -12.170 -9.672 27.552 1.00 63.07 ? 79 CYS A SG 1 ATOM 365 N N . VAL A 1 55 ? -11.691 -11.812 31.013 1.00 64.62 ? 80 VAL A N 1 ATOM 366 C CA . VAL A 1 55 ? -12.517 -12.147 32.179 1.00 66.79 ? 80 VAL A CA 1 ATOM 367 C C . VAL A 1 55 ? -13.694 -11.179 32.285 1.00 67.57 ? 80 VAL A C 1 ATOM 368 O O . VAL A 1 55 ? -13.503 -9.965 32.366 1.00 66.37 ? 80 VAL A O 1 ATOM 369 C CB . VAL A 1 55 ? -11.695 -12.183 33.517 1.00 66.50 ? 80 VAL A CB 1 ATOM 370 C CG1 . VAL A 1 55 ? -10.748 -10.982 33.650 1.00 68.77 ? 80 VAL A CG1 1 ATOM 371 C CG2 . VAL A 1 55 ? -12.622 -12.267 34.725 1.00 65.37 ? 80 VAL A CG2 1 ATOM 372 N N . LYS A 1 56 ? -14.905 -11.732 32.283 1.00 70.50 ? 81 LYS A N 1 ATOM 373 C CA . LYS A 1 56 ? -16.137 -10.934 32.296 1.00 73.00 ? 81 LYS A CA 1 ATOM 374 C C . LYS A 1 56 ? -16.352 -10.199 33.616 1.00 73.51 ? 81 LYS A C 1 ATOM 375 O O . LYS A 1 56 ? -15.831 -10.600 34.655 1.00 73.71 ? 81 LYS A O 1 ATOM 376 C CB . LYS A 1 56 ? -17.350 -11.811 31.958 1.00 73.66 ? 81 LYS A CB 1 ATOM 377 C CG . LYS A 1 56 ? -17.353 -12.275 30.506 1.00 74.27 ? 81 LYS A CG 1 ATOM 378 C CD . LYS A 1 56 ? -18.545 -13.162 30.174 1.00 74.52 ? 81 LYS A CD 1 ATOM 379 C CE . LYS A 1 56 ? -18.501 -13.622 28.715 1.00 74.38 ? 81 LYS A CE 1 ATOM 380 N NZ . LYS A 1 56 ? -19.288 -14.871 28.494 1.00 74.12 ? 81 LYS A NZ 1 ATOM 381 N N . LEU A 1 57 ? -17.126 -9.118 33.550 1.00 74.91 ? 82 LEU A N 1 ATOM 382 C CA . LEU A 1 57 ? -17.301 -8.199 34.673 1.00 77.60 ? 82 LEU A CA 1 ATOM 383 C C . LEU A 1 57 ? -18.703 -8.292 35.272 1.00 78.97 ? 82 LEU A C 1 ATOM 384 O O . LEU A 1 57 ? -19.694 -8.338 34.539 1.00 76.75 ? 82 LEU A O 1 ATOM 385 C CB . LEU A 1 57 ? -17.022 -6.762 34.215 1.00 79.15 ? 82 LEU A CB 1 ATOM 386 C CG . LEU A 1 57 ? -15.594 -6.234 34.401 1.00 80.16 ? 82 LEU A CG 1 ATOM 387 C CD1 . LEU A 1 57 ? -15.375 -5.768 35.840 1.00 80.29 ? 82 LEU A CD1 1 ATOM 388 C CD2 . LEU A 1 57 ? -14.548 -7.270 34.002 1.00 81.14 ? 82 LEU A CD2 1 ATOM 389 N N . GLU A 1 58 ? -18.773 -8.323 36.605 1.00 80.99 ? 83 GLU A N 1 ATOM 390 C CA . GLU A 1 58 ? -20.050 -8.347 37.328 1.00 80.99 ? 83 GLU A CA 1 ATOM 391 C C . GLU A 1 58 ? -19.856 -8.088 38.832 1.00 81.67 ? 83 GLU A C 1 ATOM 392 O O . GLU A 1 58 ? -19.656 -9.017 39.620 1.00 81.11 ? 83 GLU A O 1 ATOM 393 C CB . GLU A 1 58 ? -20.789 -9.677 37.093 1.00 81.29 ? 83 GLU A CB 1 ATOM 394 C CG . GLU A 1 58 ? -22.317 -9.577 37.154 1.00 81.27 ? 83 GLU A CG 1 ATOM 395 C CD . GLU A 1 58 ? -22.925 -8.902 35.925 1.00 80.07 ? 83 GLU A CD 1 ATOM 396 O OE1 . GLU A 1 58 ? -22.487 -7.785 35.574 1.00 77.49 ? 83 GLU A OE1 1 ATOM 397 O OE2 . GLU A 1 58 ? -23.849 -9.488 35.317 1.00 79.53 ? 83 GLU A OE2 1 ATOM 398 N N . ASP A 1 59 ? -19.904 -6.810 39.206 1.00 83.01 ? 84 ASP A N 1 ATOM 399 C CA . ASP A 1 59 ? -19.808 -6.370 40.608 1.00 83.46 ? 84 ASP A CA 1 ATOM 400 C C . ASP A 1 59 ? -20.159 -4.878 40.678 1.00 85.03 ? 84 ASP A C 1 ATOM 401 O O . ASP A 1 59 ? -21.117 -4.477 41.342 1.00 87.43 ? 84 ASP A O 1 ATOM 402 C CB . ASP A 1 59 ? -18.404 -6.622 41.168 1.00 82.88 ? 84 ASP A CB 1 ATOM 403 N N . ARG A 1 60 ? -19.363 -4.075 39.980 1.00 84.01 ? 85 ARG A N 1 ATOM 404 C CA . ARG A 1 60 ? -19.694 -2.694 39.641 1.00 82.44 ? 85 ARG A CA 1 ATOM 405 C C . ARG A 1 60 ? -19.935 -2.739 38.119 1.00 77.95 ? 85 ARG A C 1 ATOM 406 O O . ARG A 1 60 ? -19.021 -3.058 37.343 1.00 77.73 ? 85 ARG A O 1 ATOM 407 C CB . ARG A 1 60 ? -18.542 -1.782 40.084 1.00 83.73 ? 85 ARG A CB 1 ATOM 408 C CG . ARG A 1 60 ? -18.310 -0.504 39.289 1.00 84.69 ? 85 ARG A CG 1 ATOM 409 C CD . ARG A 1 60 ? -16.826 -0.168 39.291 1.00 84.28 ? 85 ARG A CD 1 ATOM 410 N NE . ARG A 1 60 ? -16.061 -1.138 38.504 1.00 85.18 ? 85 ARG A NE 1 ATOM 411 C CZ . ARG A 1 60 ? -14.744 -1.333 38.590 1.00 86.11 ? 85 ARG A CZ 1 ATOM 412 N NH1 . ARG A 1 60 ? -13.996 -0.622 39.436 1.00 85.62 ? 85 ARG A NH1 1 ATOM 413 N NH2 . ARG A 1 60 ? -14.168 -2.254 37.821 1.00 85.30 ? 85 ARG A NH2 1 ATOM 414 N N . GLN A 1 61 ? -21.166 -2.434 37.703 1.00 70.83 ? 86 GLN A N 1 ATOM 415 C CA . GLN A 1 61 ? -21.750 -3.095 36.527 1.00 65.73 ? 86 GLN A CA 1 ATOM 416 C C . GLN A 1 61 ? -22.233 -2.167 35.370 1.00 66.13 ? 86 GLN A C 1 ATOM 417 O O . GLN A 1 61 ? -21.842 -0.997 35.293 1.00 66.94 ? 86 GLN A O 1 ATOM 418 C CB . GLN A 1 61 ? -22.867 -4.037 37.011 1.00 65.38 ? 86 GLN A CB 1 ATOM 419 C CG . GLN A 1 61 ? -22.962 -4.176 38.545 1.00 64.40 ? 86 GLN A CG 1 ATOM 420 C CD . GLN A 1 61 ? -23.549 -5.495 39.033 1.00 63.59 ? 86 GLN A CD 1 ATOM 421 O OE1 . GLN A 1 61 ? -24.397 -6.100 38.383 1.00 60.92 ? 86 GLN A OE1 1 ATOM 422 N NE2 . GLN A 1 61 ? -23.100 -5.936 40.202 1.00 61.28 ? 86 GLN A NE2 1 ATOM 423 N N . THR A 1 62 ? -23.067 -2.706 34.470 1.00 62.64 ? 87 THR A N 1 ATOM 424 C CA . THR A 1 62 ? -23.357 -2.080 33.174 1.00 59.77 ? 87 THR A CA 1 ATOM 425 C C . THR A 1 62 ? -24.789 -1.577 32.985 1.00 57.06 ? 87 THR A C 1 ATOM 426 O O . THR A 1 62 ? -25.664 -1.860 33.792 1.00 57.71 ? 87 THR A O 1 ATOM 427 C CB . THR A 1 62 ? -23.082 -3.075 32.031 1.00 61.34 ? 87 THR A CB 1 ATOM 428 O OG1 . THR A 1 62 ? -24.021 -4.155 32.095 1.00 60.16 ? 87 THR A OG1 1 ATOM 429 C CG2 . THR A 1 62 ? -21.661 -3.632 32.127 1.00 62.59 ? 87 THR A CG2 1 ATOM 430 N N . SER A 1 63 ? -25.016 -0.838 31.899 1.00 54.82 ? 88 SER A N 1 ATOM 431 C CA . SER A 1 63 ? -26.355 -0.347 31.549 1.00 52.69 ? 88 SER A CA 1 ATOM 432 C C . SER A 1 63 ? -26.438 0.125 30.090 1.00 50.34 ? 88 SER A C 1 ATOM 433 O O . SER A 1 63 ? -25.415 0.342 29.445 1.00 48.65 ? 88 SER A O 1 ATOM 434 C CB . SER A 1 63 ? -26.768 0.798 32.481 1.00 51.52 ? 88 SER A CB 1 ATOM 435 O OG . SER A 1 63 ? -26.193 2.028 32.079 1.00 51.60 ? 88 SER A OG 1 ATOM 436 N N . TRP A 1 64 ? -27.663 0.306 29.592 1.00 50.55 ? 89 TRP A N 1 ATOM 437 C CA . TRP A 1 64 ? -27.898 0.732 28.207 1.00 49.94 ? 89 TRP A CA 1 ATOM 438 C C . TRP A 1 64 ? -28.346 2.188 28.103 1.00 49.14 ? 89 TRP A C 1 ATOM 439 O O . TRP A 1 64 ? -29.118 2.660 28.925 1.00 47.81 ? 89 TRP A O 1 ATOM 440 C CB . TRP A 1 64 ? -28.966 -0.139 27.556 1.00 45.77 ? 89 TRP A CB 1 ATOM 441 C CG . TRP A 1 64 ? -28.530 -1.524 27.212 1.00 45.18 ? 89 TRP A CG 1 ATOM 442 C CD1 . TRP A 1 64 ? -28.674 -2.643 27.977 1.00 45.26 ? 89 TRP A CD1 1 ATOM 443 C CD2 . TRP A 1 64 ? -27.912 -1.947 25.994 1.00 44.65 ? 89 TRP A CD2 1 ATOM 444 N NE1 . TRP A 1 64 ? -28.173 -3.738 27.316 1.00 45.36 ? 89 TRP A NE1 1 ATOM 445 C CE2 . TRP A 1 64 ? -27.704 -3.339 26.092 1.00 45.21 ? 89 TRP A CE2 1 ATOM 446 C CE3 . TRP A 1 64 ? -27.513 -1.286 24.829 1.00 45.18 ? 89 TRP A CE3 1 ATOM 447 C CZ2 . TRP A 1 64 ? -27.103 -4.080 25.072 1.00 44.93 ? 89 TRP A CZ2 1 ATOM 448 C CZ3 . TRP A 1 64 ? -26.919 -2.023 23.813 1.00 45.29 ? 89 TRP A CZ3 1 ATOM 449 C CH2 . TRP A 1 64 ? -26.720 -3.406 23.943 1.00 44.98 ? 89 TRP A CH2 1 ATOM 450 N N . LYS A 1 65 ? -27.841 2.881 27.083 1.00 54.28 ? 90 LYS A N 1 ATOM 451 C CA . LYS A 1 65 ? -28.314 4.208 26.676 1.00 56.93 ? 90 LYS A CA 1 ATOM 452 C C . LYS A 1 65 ? -28.583 4.142 25.171 1.00 60.36 ? 90 LYS A C 1 ATOM 453 O O . LYS A 1 65 ? -27.650 3.943 24.388 1.00 62.59 ? 90 LYS A O 1 ATOM 454 C CB . LYS A 1 65 ? -27.260 5.281 26.976 1.00 57.77 ? 90 LYS A CB 1 ATOM 455 C CG . LYS A 1 65 ? -27.650 6.713 26.555 1.00 58.86 ? 90 LYS A CG 1 ATOM 456 C CD . LYS A 1 65 ? -26.511 7.721 26.793 1.00 60.78 ? 90 LYS A CD 1 ATOM 457 C CE . LYS A 1 65 ? -25.443 7.681 25.678 1.00 62.38 ? 90 LYS A CE 1 ATOM 458 N NZ . LYS A 1 65 ? -24.174 8.418 26.038 1.00 60.71 ? 90 LYS A NZ 1 ATOM 459 N N . GLU A 1 66 ? -29.846 4.306 24.774 1.00 61.10 ? 91 GLU A N 1 ATOM 460 C CA . GLU A 1 66 ? -30.279 4.062 23.392 1.00 60.96 ? 91 GLU A CA 1 ATOM 461 C C . GLU A 1 66 ? -30.427 5.372 22.629 1.00 62.26 ? 91 GLU A C 1 ATOM 462 O O . GLU A 1 66 ? -31.131 6.268 23.075 1.00 64.65 ? 91 GLU A O 1 ATOM 463 C CB . GLU A 1 66 ? -31.620 3.322 23.382 1.00 61.13 ? 91 GLU A CB 1 ATOM 464 C CG . GLU A 1 66 ? -31.653 2.032 24.224 1.00 61.84 ? 91 GLU A CG 1 ATOM 465 C CD . GLU A 1 66 ? -31.588 0.744 23.408 1.00 62.58 ? 91 GLU A CD 1 ATOM 466 O OE1 . GLU A 1 66 ? -31.474 0.804 22.166 1.00 61.71 ? 91 GLU A OE1 1 ATOM 467 O OE2 . GLU A 1 66 ? -31.658 -0.343 24.022 1.00 63.45 ? 91 GLU A OE2 1 ATOM 468 N N . GLU A 1 67 ? -29.767 5.471 21.478 1.00 64.24 ? 92 GLU A N 1 ATOM 469 C CA . GLU A 1 67 ? -29.811 6.671 20.633 1.00 63.54 ? 92 GLU A CA 1 ATOM 470 C C . GLU A 1 67 ? -30.585 6.326 19.357 1.00 62.26 ? 92 GLU A C 1 ATOM 471 O O . GLU A 1 67 ? -30.997 5.180 19.171 1.00 60.70 ? 92 GLU A O 1 ATOM 472 C CB . GLU A 1 67 ? -28.381 7.145 20.308 1.00 63.88 ? 92 GLU A CB 1 ATOM 473 C CG . GLU A 1 67 ? -28.106 8.627 20.523 1.00 64.05 ? 92 GLU A CG 1 ATOM 474 C CD . GLU A 1 67 ? -26.618 8.962 20.437 1.00 64.87 ? 92 GLU A CD 1 ATOM 475 O OE1 . GLU A 1 67 ? -25.973 8.587 19.429 1.00 68.05 ? 92 GLU A OE1 1 ATOM 476 O OE2 . GLU A 1 67 ? -26.089 9.598 21.375 1.00 62.87 ? 92 GLU A OE2 1 ATOM 477 N N . LYS A 1 68 ? -30.761 7.314 18.481 1.00 63.36 ? 93 LYS A N 1 ATOM 478 C CA . LYS A 1 68 ? -31.646 7.198 17.305 1.00 63.65 ? 93 LYS A CA 1 ATOM 479 C C . LYS A 1 68 ? -31.429 5.931 16.478 1.00 62.80 ? 93 LYS A C 1 ATOM 480 O O . LYS A 1 68 ? -32.356 5.141 16.292 1.00 61.49 ? 93 LYS A O 1 ATOM 481 C CB . LYS A 1 68 ? -31.501 8.428 16.411 1.00 63.90 ? 93 LYS A CB 1 ATOM 482 N N . ASN A 1 69 ? -30.211 5.754 15.977 1.00 61.69 ? 94 ASN A N 1 ATOM 483 C CA . ASN A 1 69 ? -29.879 4.595 15.144 1.00 62.66 ? 94 ASN A CA 1 ATOM 484 C C . ASN A 1 69 ? -28.631 3.859 15.627 1.00 60.97 ? 94 ASN A C 1 ATOM 485 O O . ASN A 1 69 ? -28.014 3.101 14.881 1.00 58.58 ? 94 ASN A O 1 ATOM 486 C CB . ASN A 1 69 ? -29.748 5.007 13.666 1.00 65.33 ? 94 ASN A CB 1 ATOM 487 C CG . ASN A 1 69 ? -28.837 6.206 13.461 1.00 65.87 ? 94 ASN A CG 1 ATOM 488 O OD1 . ASN A 1 69 ? -29.146 7.097 12.668 1.00 64.10 ? 94 ASN A OD1 1 ATOM 489 N ND2 . ASN A 1 69 ? -27.711 6.237 14.174 1.00 66.45 ? 94 ASN A ND2 1 ATOM 490 N N . ILE A 1 70 ? -28.277 4.076 16.888 1.00 61.44 ? 95 ILE A N 1 ATOM 491 C CA . ILE A 1 70 ? -27.154 3.387 17.506 1.00 59.27 ? 95 ILE A CA 1 ATOM 492 C C . ILE A 1 70 ? -27.262 3.516 19.020 1.00 56.07 ? 95 ILE A C 1 ATOM 493 O O . ILE A 1 70 ? -27.487 4.607 19.526 1.00 54.83 ? 95 ILE A O 1 ATOM 494 C CB . ILE A 1 70 ? -25.799 3.943 17.005 1.00 59.82 ? 95 ILE A CB 1 ATOM 495 C CG1 . ILE A 1 70 ? -24.644 3.212 17.683 1.00 60.98 ? 95 ILE A CG1 1 ATOM 496 C CG2 . ILE A 1 70 ? -25.687 5.449 17.245 1.00 60.22 ? 95 ILE A CG2 1 ATOM 497 C CD1 . ILE A 1 70 ? -23.364 3.303 16.914 1.00 62.61 ? 95 ILE A CD1 1 ATOM 498 N N . SER A 1 71 ? -27.118 2.402 19.732 1.00 52.81 ? 96 SER A N 1 ATOM 499 C CA . SER A 1 71 ? -27.215 2.401 21.191 1.00 51.15 ? 96 SER A CA 1 ATOM 500 C C . SER A 1 71 ? -25.834 2.256 21.812 1.00 48.74 ? 96 SER A C 1 ATOM 501 O O . SER A 1 71 ? -24.845 2.122 21.097 1.00 48.15 ? 96 SER A O 1 ATOM 502 C CB . SER A 1 71 ? -28.148 1.285 21.652 1.00 49.97 ? 96 SER A CB 1 ATOM 503 O OG . SER A 1 71 ? -29.460 1.526 21.174 1.00 49.51 ? 96 SER A OG 1 ATOM 504 N N . PHE A 1 72 ? -25.765 2.317 23.141 1.00 48.83 ? 97 PHE A N 1 ATOM 505 C CA . PHE A 1 72 ? -24.487 2.231 23.861 1.00 47.35 ? 97 PHE A CA 1 ATOM 506 C C . PHE A 1 72 ? -24.625 1.362 25.108 1.00 47.38 ? 97 PHE A C 1 ATOM 507 O O . PHE A 1 72 ? -25.434 1.655 25.991 1.00 47.20 ? 97 PHE A O 1 ATOM 508 C CB . PHE A 1 72 ? -23.993 3.633 24.237 1.00 43.82 ? 97 PHE A CB 1 ATOM 509 C CG . PHE A 1 72 ? -23.724 4.515 23.046 1.00 42.43 ? 97 PHE A CG 1 ATOM 510 C CD1 . PHE A 1 72 ? -24.756 5.213 22.439 1.00 41.54 ? 97 PHE A CD1 1 ATOM 511 C CD2 . PHE A 1 72 ? -22.445 4.628 22.520 1.00 42.15 ? 97 PHE A CD2 1 ATOM 512 C CE1 . PHE A 1 72 ? -24.522 6.014 21.335 1.00 42.32 ? 97 PHE A CE1 1 ATOM 513 C CE2 . PHE A 1 72 ? -22.200 5.431 21.412 1.00 42.62 ? 97 PHE A CE2 1 ATOM 514 C CZ . PHE A 1 72 ? -23.239 6.119 20.818 1.00 43.64 ? 97 PHE A CZ 1 ATOM 515 N N . PHE A 1 73 ? -23.858 0.276 25.148 1.00 46.03 ? 98 PHE A N 1 ATOM 516 C CA . PHE A 1 73 ? -23.775 -0.585 26.317 1.00 45.65 ? 98 PHE A CA 1 ATOM 517 C C . PHE A 1 73 ? -22.658 -0.019 27.182 1.00 45.82 ? 98 PHE A C 1 ATOM 518 O O . PHE A 1 73 ? -21.515 0.061 26.739 1.00 48.81 ? 98 PHE A O 1 ATOM 519 C CB . PHE A 1 73 ? -23.462 -2.017 25.886 1.00 45.58 ? 98 PHE A CB 1 ATOM 520 C CG . PHE A 1 73 ? -23.552 -3.024 27.000 1.00 46.23 ? 98 PHE A CG 1 ATOM 521 C CD1 . PHE A 1 73 ? -24.752 -3.233 27.668 1.00 44.86 ? 98 PHE A CD1 1 ATOM 522 C CD2 . PHE A 1 73 ? -22.447 -3.776 27.369 1.00 46.50 ? 98 PHE A CD2 1 ATOM 523 C CE1 . PHE A 1 73 ? -24.851 -4.161 28.687 1.00 44.34 ? 98 PHE A CE1 1 ATOM 524 C CE2 . PHE A 1 73 ? -22.540 -4.714 28.392 1.00 47.07 ? 98 PHE A CE2 1 ATOM 525 C CZ . PHE A 1 73 ? -23.748 -4.903 29.051 1.00 45.26 ? 98 PHE A CZ 1 ATOM 526 N N . ILE A 1 74 ? -22.984 0.381 28.404 1.00 45.91 ? 99 ILE A N 1 ATOM 527 C CA . ILE A 1 74 ? -22.078 1.205 29.207 1.00 46.52 ? 99 ILE A CA 1 ATOM 528 C C . ILE A 1 74 ? -21.573 0.470 30.437 1.00 43.45 ? 99 ILE A C 1 ATOM 529 O O . ILE A 1 74 ? -22.369 -0.072 31.193 1.00 37.43 ? 99 ILE A O 1 ATOM 530 C CB . ILE A 1 74 ? -22.780 2.502 29.661 1.00 48.61 ? 99 ILE A CB 1 ATOM 531 C CG1 . ILE A 1 74 ? -23.110 3.379 28.444 1.00 50.15 ? 99 ILE A CG1 1 ATOM 532 C CG2 . ILE A 1 74 ? -21.910 3.272 30.658 1.00 47.85 ? 99 ILE A CG2 1 ATOM 533 C CD1 . ILE A 1 74 ? -24.233 4.360 28.681 1.00 49.60 ? 99 ILE A CD1 1 ATOM 534 N N . LEU A 1 75 ? -20.250 0.461 30.616 1.00 46.76 ? 100 LEU A N 1 ATOM 535 C CA . LEU A 1 75 ? -19.605 -0.063 31.821 1.00 48.48 ? 100 LEU A CA 1 ATOM 536 C C . LEU A 1 75 ? -19.264 1.125 32.707 1.00 50.63 ? 100 LEU A C 1 ATOM 537 O O . LEU A 1 75 ? -18.505 2.009 32.296 1.00 48.97 ? 100 LEU A O 1 ATOM 538 C CB . LEU A 1 75 ? -18.331 -0.837 31.478 1.00 48.46 ? 100 LEU A CB 1 ATOM 539 C CG . LEU A 1 75 ? -17.496 -1.421 32.629 1.00 47.69 ? 100 LEU A CG 1 ATOM 540 C CD1 . LEU A 1 75 ? -18.189 -2.585 33.300 1.00 47.22 ? 100 LEU A CD1 1 ATOM 541 C CD2 . LEU A 1 75 ? -16.130 -1.872 32.119 1.00 49.40 ? 100 LEU A CD2 1 ATOM 542 N N . HIS A 1 76 ? -19.830 1.133 33.916 1.00 51.65 ? 101 HIS A N 1 ATOM 543 C CA . HIS A 1 76 ? -19.685 2.246 34.851 1.00 50.13 ? 101 HIS A CA 1 ATOM 544 C C . HIS A 1 76 ? -18.537 2.031 35.838 1.00 50.74 ? 101 HIS A C 1 ATOM 545 O O . HIS A 1 76 ? -18.397 0.952 36.407 1.00 53.30 ? 101 HIS A O 1 ATOM 546 C CB . HIS A 1 76 ? -20.981 2.438 35.623 1.00 47.39 ? 101 HIS A CB 1 ATOM 547 C CG . HIS A 1 76 ? -22.124 2.897 34.779 1.00 45.89 ? 101 HIS A CG 1 ATOM 548 N ND1 . HIS A 1 76 ? -22.435 4.228 34.611 1.00 44.12 ? 101 HIS A ND1 1 ATOM 549 C CD2 . HIS A 1 76 ? -23.044 2.201 34.069 1.00 46.22 ? 101 HIS A CD2 1 ATOM 550 C CE1 . HIS A 1 76 ? -23.495 4.334 33.829 1.00 45.89 ? 101 HIS A CE1 1 ATOM 551 N NE2 . HIS A 1 76 ? -23.885 3.118 33.487 1.00 44.54 ? 101 HIS A NE2 1 ATOM 552 N N . PHE A 1 77 ? -17.720 3.064 36.026 1.00 49.48 ? 102 PHE A N 1 ATOM 553 C CA . PHE A 1 77 ? -16.638 3.052 37.004 1.00 49.26 ? 102 PHE A CA 1 ATOM 554 C C . PHE A 1 77 ? -16.958 4.136 38.008 1.00 51.79 ? 102 PHE A C 1 ATOM 555 O O . PHE A 1 77 ? -16.857 5.320 37.690 1.00 54.48 ? 102 PHE A O 1 ATOM 556 C CB . PHE A 1 77 ? -15.298 3.345 36.335 1.00 46.20 ? 102 PHE A CB 1 ATOM 557 C CG . PHE A 1 77 ? -14.839 2.270 35.395 1.00 44.87 ? 102 PHE A CG 1 ATOM 558 C CD1 . PHE A 1 77 ? -15.264 2.251 34.081 1.00 45.22 ? 102 PHE A CD1 1 ATOM 559 C CD2 . PHE A 1 77 ? -13.972 1.277 35.827 1.00 45.45 ? 102 PHE A CD2 1 ATOM 560 C CE1 . PHE A 1 77 ? -14.833 1.249 33.204 1.00 46.13 ? 102 PHE A CE1 1 ATOM 561 C CE2 . PHE A 1 77 ? -13.543 0.273 34.966 1.00 45.27 ? 102 PHE A CE2 1 ATOM 562 C CZ . PHE A 1 77 ? -13.976 0.258 33.654 1.00 45.41 ? 102 PHE A CZ 1 ATOM 563 N N . GLU A 1 78 ? -17.350 3.745 39.218 1.00 52.89 ? 103 GLU A N 1 ATOM 564 C CA . GLU A 1 78 ? -17.967 4.691 40.139 1.00 53.48 ? 103 GLU A CA 1 ATOM 565 C C . GLU A 1 78 ? -17.492 4.489 41.578 1.00 53.37 ? 103 GLU A C 1 ATOM 566 O O . GLU A 1 78 ? -18.207 3.913 42.396 1.00 56.12 ? 103 GLU A O 1 ATOM 567 C CB . GLU A 1 78 ? -19.493 4.583 40.024 1.00 53.86 ? 103 GLU A CB 1 ATOM 568 C CG . GLU A 1 78 ? -20.223 5.918 40.069 1.00 55.94 ? 103 GLU A CG 1 ATOM 569 C CD . GLU A 1 78 ? -21.382 5.977 39.091 1.00 58.86 ? 103 GLU A CD 1 ATOM 570 O OE1 . GLU A 1 78 ? -21.122 5.968 37.866 1.00 60.59 ? 103 GLU A OE1 1 ATOM 571 O OE2 . GLU A 1 78 ? -22.552 6.039 39.544 1.00 63.95 ? 103 GLU A OE2 1 ATOM 572 N N . PRO A 1 79 ? -16.280 4.978 41.899 1.00 50.49 ? 104 PRO A N 1 ATOM 573 C CA . PRO A 1 79 ? -15.352 5.695 41.041 1.00 50.28 ? 104 PRO A CA 1 ATOM 574 C C . PRO A 1 79 ? -14.316 4.776 40.402 1.00 51.98 ? 104 PRO A C 1 ATOM 575 O O . PRO A 1 79 ? -14.293 3.570 40.681 1.00 54.40 ? 104 PRO A O 1 ATOM 576 C CB . PRO A 1 79 ? -14.663 6.636 42.025 1.00 49.38 ? 104 PRO A CB 1 ATOM 577 C CG . PRO A 1 79 ? -14.584 5.837 43.281 1.00 48.34 ? 104 PRO A CG 1 ATOM 578 C CD . PRO A 1 79 ? -15.730 4.843 43.258 1.00 49.03 ? 104 PRO A CD 1 ATOM 579 N N . VAL A 1 80 ? -13.462 5.361 39.564 1.00 49.15 ? 105 VAL A N 1 ATOM 580 C CA . VAL A 1 80 ? -12.321 4.659 38.997 1.00 49.21 ? 105 VAL A CA 1 ATOM 581 C C . VAL A 1 80 ? -11.269 4.388 40.070 1.00 48.13 ? 105 VAL A C 1 ATOM 582 O O . VAL A 1 80 ? -10.827 5.308 40.753 1.00 47.36 ? 105 VAL A O 1 ATOM 583 C CB . VAL A 1 80 ? -11.640 5.485 37.890 1.00 52.30 ? 105 VAL A CB 1 ATOM 584 C CG1 . VAL A 1 80 ? -10.360 4.799 37.424 1.00 54.14 ? 105 VAL A CG1 1 ATOM 585 C CG2 . VAL A 1 80 ? -12.579 5.703 36.716 1.00 53.25 ? 105 VAL A CG2 1 ATOM 586 N N . LEU A 1 81 ? -10.862 3.127 40.188 1.00 48.88 ? 106 LEU A N 1 ATOM 587 C CA . LEU A 1 81 ? -9.782 2.720 41.086 1.00 48.64 ? 106 LEU A CA 1 ATOM 588 C C . LEU A 1 81 ? -8.456 2.658 40.332 1.00 49.64 ? 106 LEU A C 1 ATOM 589 O O . LEU A 1 81 ? -8.453 2.642 39.100 1.00 53.15 ? 106 LEU A O 1 ATOM 590 C CB . LEU A 1 81 ? -10.092 1.349 41.677 1.00 49.21 ? 106 LEU A CB 1 ATOM 591 C CG . LEU A 1 81 ? -11.348 1.247 42.542 1.00 50.16 ? 106 LEU A CG 1 ATOM 592 C CD1 . LEU A 1 81 ? -11.435 -0.144 43.162 1.00 49.78 ? 106 LEU A CD1 1 ATOM 593 C CD2 . LEU A 1 81 ? -11.362 2.324 43.625 1.00 50.86 ? 106 LEU A CD2 1 ATOM 594 N N . PRO A 1 82 ? -7.322 2.620 41.061 1.00 49.10 ? 107 PRO A N 1 ATOM 595 C CA . PRO A 1 82 ? -6.025 2.541 40.386 1.00 47.97 ? 107 PRO A CA 1 ATOM 596 C C . PRO A 1 82 ? -5.821 1.237 39.627 1.00 47.11 ? 107 PRO A C 1 ATOM 597 O O . PRO A 1 82 ? -5.178 1.244 38.588 1.00 49.60 ? 107 PRO A O 1 ATOM 598 C CB . PRO A 1 82 ? -5.012 2.643 41.540 1.00 47.41 ? 107 PRO A CB 1 ATOM 599 C CG . PRO A 1 82 ? -5.765 3.183 42.682 1.00 47.05 ? 107 PRO A CG 1 ATOM 600 C CD . PRO A 1 82 ? -7.153 2.650 42.523 1.00 48.92 ? 107 PRO A CD 1 ATOM 601 N N . ASN A 1 83 ? -6.373 0.138 40.141 1.00 48.81 ? 108 ASN A N 1 ATOM 602 C CA . ASN A 1 83 ? -6.225 -1.183 39.518 1.00 49.73 ? 108 ASN A CA 1 ATOM 603 C C . ASN A 1 83 ? -7.070 -1.375 38.257 1.00 49.65 ? 108 ASN A C 1 ATOM 604 O O . ASN A 1 83 ? -6.960 -2.403 37.590 1.00 48.62 ? 108 ASN A O 1 ATOM 605 C CB . ASN A 1 83 ? -6.567 -2.286 40.520 1.00 53.22 ? 108 ASN A CB 1 ATOM 606 C CG . ASN A 1 83 ? -5.645 -2.279 41.730 1.00 57.65 ? 108 ASN A CG 1 ATOM 607 O OD1 . ASN A 1 83 ? -4.418 -2.266 41.600 1.00 57.97 ? 108 ASN A OD1 1 ATOM 608 N ND2 . ASN A 1 83 ? -6.239 -2.288 42.917 1.00 60.56 ? 108 ASN A ND2 1 ATOM 609 N N . ASP A 1 84 ? -7.904 -0.391 37.928 1.00 49.01 ? 109 ASP A N 1 ATOM 610 C CA . ASP A 1 84 ? -8.700 -0.438 36.703 1.00 48.87 ? 109 ASP A CA 1 ATOM 611 C C . ASP A 1 84 ? -7.900 -0.204 35.419 1.00 48.83 ? 109 ASP A C 1 ATOM 612 O O . ASP A 1 84 ? -8.465 -0.266 34.339 1.00 49.34 ? 109 ASP A O 1 ATOM 613 C CB . ASP A 1 84 ? -9.871 0.544 36.790 1.00 48.21 ? 109 ASP A CB 1 ATOM 614 C CG . ASP A 1 84 ? -10.961 0.067 37.733 1.00 47.08 ? 109 ASP A CG 1 ATOM 615 O OD1 . ASP A 1 84 ? -11.143 -1.164 37.859 1.00 44.59 ? 109 ASP A OD1 1 ATOM 616 O OD2 . ASP A 1 84 ? -11.648 0.921 38.333 1.00 47.51 ? 109 ASP A OD2 1 ATOM 617 N N . ASN A 1 85 ? -6.602 0.075 35.532 1.00 51.54 ? 110 ASN A N 1 ATOM 618 C CA . ASN A 1 85 ? -5.682 -0.025 34.393 1.00 51.93 ? 110 ASN A CA 1 ATOM 619 C C . ASN A 1 85 ? -5.947 -1.271 33.546 1.00 51.19 ? 110 ASN A C 1 ATOM 620 O O . ASN A 1 85 ? -6.209 -2.344 34.087 1.00 53.15 ? 110 ASN A O 1 ATOM 621 C CB . ASN A 1 85 ? -4.237 -0.122 34.894 1.00 56.91 ? 110 ASN A CB 1 ATOM 622 C CG . ASN A 1 85 ? -3.660 1.220 35.284 1.00 64.24 ? 110 ASN A CG 1 ATOM 623 O OD1 . ASN A 1 85 ? -3.351 2.053 34.424 1.00 68.99 ? 110 ASN A OD1 1 ATOM 624 N ND2 . ASN A 1 85 ? -3.487 1.434 36.586 1.00 66.08 ? 110 ASN A ND2 1 ATOM 625 N N . GLY A 1 86 ? -5.858 -1.138 32.226 1.00 47.32 ? 111 GLY A N 1 ATOM 626 C CA . GLY A 1 86 ? -5.864 -2.305 31.347 1.00 48.12 ? 111 GLY A CA 1 ATOM 627 C C . GLY A 1 86 ? -6.819 -2.200 30.182 1.00 48.50 ? 111 GLY A C 1 ATOM 628 O O . GLY A 1 86 ? -7.499 -1.187 30.007 1.00 49.39 ? 111 GLY A O 1 ATOM 629 N N . SER A 1 87 ? -6.872 -3.263 29.388 1.00 48.84 ? 112 SER A N 1 ATOM 630 C CA . SER A 1 87 ? -7.696 -3.281 28.187 1.00 50.31 ? 112 SER A CA 1 ATOM 631 C C . SER A 1 87 ? -9.038 -3.954 28.429 1.00 52.27 ? 112 SER A C 1 ATOM 632 O O . SER A 1 87 ? -9.139 -4.903 29.211 1.00 52.41 ? 112 SER A O 1 ATOM 633 C CB . SER A 1 87 ? -6.965 -3.975 27.046 1.00 49.05 ? 112 SER A CB 1 ATOM 634 O OG . SER A 1 87 ? -5.850 -3.210 26.662 1.00 50.89 ? 112 SER A OG 1 ATOM 635 N N . TYR A 1 88 ? -10.054 -3.456 27.729 1.00 51.29 ? 113 TYR A N 1 ATOM 636 C CA . TYR A 1 88 ? -11.429 -3.883 27.912 1.00 50.27 ? 113 TYR A CA 1 ATOM 637 C C . TYR A 1 88 ? -12.082 -4.113 26.557 1.00 52.16 ? 113 TYR A C 1 ATOM 638 O O . TYR A 1 88 ? -11.765 -3.427 25.585 1.00 54.24 ? 113 TYR A O 1 ATOM 639 C CB . TYR A 1 88 ? -12.207 -2.803 28.660 1.00 50.32 ? 113 TYR A CB 1 ATOM 640 C CG . TYR A 1 88 ? -11.758 -2.568 30.088 1.00 49.96 ? 113 TYR A CG 1 ATOM 641 C CD1 . TYR A 1 88 ? -10.705 -1.715 30.375 1.00 50.89 ? 113 TYR A CD1 1 ATOM 642 C CD2 . TYR A 1 88 ? -12.403 -3.189 31.151 1.00 50.90 ? 113 TYR A CD2 1 ATOM 643 C CE1 . TYR A 1 88 ? -10.300 -1.494 31.679 1.00 50.98 ? 113 TYR A CE1 1 ATOM 644 C CE2 . TYR A 1 88 ? -12.003 -2.973 32.458 1.00 50.26 ? 113 TYR A CE2 1 ATOM 645 C CZ . TYR A 1 88 ? -10.955 -2.126 32.716 1.00 49.49 ? 113 TYR A CZ 1 ATOM 646 O OH . TYR A 1 88 ? -10.559 -1.908 34.011 1.00 49.00 ? 113 TYR A OH 1 ATOM 647 N N . ARG A 1 89 ? -13.021 -5.050 26.511 1.00 51.00 ? 114 ARG A N 1 ATOM 648 C CA . ARG A 1 89 ? -13.658 -5.462 25.274 1.00 48.86 ? 114 ARG A CA 1 ATOM 649 C C . ARG A 1 89 ? -15.127 -5.743 25.515 1.00 48.11 ? 114 ARG A C 1 ATOM 650 O O . ARG A 1 89 ? -15.481 -6.290 26.561 1.00 48.76 ? 114 ARG A O 1 ATOM 651 C CB . ARG A 1 89 ? -12.993 -6.741 24.796 1.00 50.14 ? 114 ARG A CB 1 ATOM 652 C CG . ARG A 1 89 ? -13.700 -7.426 23.646 1.00 53.79 ? 114 ARG A CG 1 ATOM 653 C CD . ARG A 1 89 ? -12.936 -8.629 23.174 1.00 57.11 ? 114 ARG A CD 1 ATOM 654 N NE . ARG A 1 89 ? -11.611 -8.253 22.696 1.00 61.94 ? 114 ARG A NE 1 ATOM 655 C CZ . ARG A 1 89 ? -10.734 -9.107 22.177 1.00 66.97 ? 114 ARG A CZ 1 ATOM 656 N NH1 . ARG A 1 89 ? -11.043 -10.404 22.048 1.00 67.70 ? 114 ARG A NH1 1 ATOM 657 N NH2 . ARG A 1 89 ? -9.543 -8.659 21.771 1.00 65.82 ? 114 ARG A NH2 1 ATOM 658 N N . CYS A 1 90 ? -15.984 -5.380 24.563 1.00 45.97 ? 115 CYS A N 1 ATOM 659 C CA . CYS A 1 90 ? -17.364 -5.834 24.611 1.00 49.56 ? 115 CYS A CA 1 ATOM 660 C C . CYS A 1 90 ? -17.604 -6.860 23.533 1.00 49.90 ? 115 CYS A C 1 ATOM 661 O O . CYS A 1 90 ? -16.971 -6.837 22.468 1.00 47.01 ? 115 CYS A O 1 ATOM 662 C CB . CYS A 1 90 ? -18.374 -4.689 24.479 1.00 55.19 ? 115 CYS A CB 1 ATOM 663 S SG . CYS A 1 90 ? -18.196 -3.753 22.994 1.00 61.65 ? 115 CYS A SG 1 ATOM 664 N N . SER A 1 91 ? -18.544 -7.749 23.834 1.00 50.52 ? 116 SER A N 1 ATOM 665 C CA . SER A 1 91 ? -18.858 -8.895 23.008 1.00 49.46 ? 116 SER A CA 1 ATOM 666 C C . SER A 1 91 ? -20.353 -8.928 22.863 1.00 49.20 ? 116 SER A C 1 ATOM 667 O O . SER A 1 91 ? -21.061 -8.587 23.805 1.00 50.77 ? 116 SER A O 1 ATOM 668 C CB . SER A 1 91 ? -18.396 -10.169 23.709 1.00 50.31 ? 116 SER A CB 1 ATOM 669 O OG . SER A 1 91 ? -17.293 -9.899 24.560 1.00 51.33 ? 116 SER A OG 1 ATOM 670 N N . ALA A 1 92 ? -20.842 -9.347 21.704 1.00 50.01 ? 117 ALA A N 1 ATOM 671 C CA . ALA A 1 92 ? -22.278 -9.381 21.461 1.00 50.25 ? 117 ALA A CA 1 ATOM 672 C C . ALA A 1 92 ? -22.714 -10.704 20.849 1.00 50.64 ? 117 ALA A C 1 ATOM 673 O O . ALA A 1 92 ? -22.241 -11.079 19.781 1.00 49.24 ? 117 ALA A O 1 ATOM 674 C CB . ALA A 1 92 ? -22.666 -8.240 20.559 1.00 50.34 ? 117 ALA A CB 1 ATOM 675 N N . ASN A 1 93 ? -23.614 -11.403 21.538 1.00 53.68 ? 118 ASN A N 1 ATOM 676 C CA . ASN A 1 93 ? -24.260 -12.596 20.998 1.00 56.48 ? 118 ASN A CA 1 ATOM 677 C C . ASN A 1 93 ? -25.494 -12.190 20.207 1.00 58.42 ? 118 ASN A C 1 ATOM 678 O O . ASN A 1 93 ? -26.419 -11.600 20.772 1.00 59.24 ? 118 ASN A O 1 ATOM 679 C CB . ASN A 1 93 ? -24.691 -13.551 22.120 1.00 58.40 ? 118 ASN A CB 1 ATOM 680 C CG . ASN A 1 93 ? -23.518 -14.083 22.930 1.00 60.84 ? 118 ASN A CG 1 ATOM 681 O OD1 . ASN A 1 93 ? -23.148 -15.251 22.803 1.00 62.69 ? 118 ASN A OD1 1 ATOM 682 N ND2 . ASN A 1 93 ? -22.933 -13.230 23.772 1.00 60.14 ? 118 ASN A ND2 1 ATOM 683 N N . PHE A 1 94 ? -25.511 -12.490 18.910 1.00 58.95 ? 119 PHE A N 1 ATOM 684 C CA . PHE A 1 94 ? -26.703 -12.265 18.094 1.00 61.29 ? 119 PHE A CA 1 ATOM 685 C C . PHE A 1 94 ? -26.921 -13.445 17.145 1.00 61.60 ? 119 PHE A C 1 ATOM 686 O O . PHE A 1 94 ? -26.103 -13.709 16.264 1.00 61.97 ? 119 PHE A O 1 ATOM 687 C CB . PHE A 1 94 ? -26.625 -10.916 17.348 1.00 66.38 ? 119 PHE A CB 1 ATOM 688 C CG . PHE A 1 94 ? -26.070 -11.008 15.952 1.00 67.29 ? 119 PHE A CG 1 ATOM 689 C CD1 . PHE A 1 94 ? -24.698 -11.102 15.736 1.00 69.01 ? 119 PHE A CD1 1 ATOM 690 C CD2 . PHE A 1 94 ? -26.922 -10.994 14.848 1.00 69.33 ? 119 PHE A CD2 1 ATOM 691 C CE1 . PHE A 1 94 ? -24.178 -11.192 14.434 1.00 68.75 ? 119 PHE A CE1 1 ATOM 692 C CE2 . PHE A 1 94 ? -26.415 -11.081 13.541 1.00 69.01 ? 119 PHE A CE2 1 ATOM 693 C CZ . PHE A 1 94 ? -25.040 -11.179 13.335 1.00 68.45 ? 119 PHE A CZ 1 ATOM 694 N N . GLN A 1 95 ? -28.023 -14.161 17.347 1.00 61.98 ? 120 GLN A N 1 ATOM 695 C CA . GLN A 1 95 ? -28.347 -15.331 16.540 1.00 62.40 ? 120 GLN A CA 1 ATOM 696 C C . GLN A 1 95 ? -27.167 -16.296 16.505 1.00 61.48 ? 120 GLN A C 1 ATOM 697 O O . GLN A 1 95 ? -26.613 -16.587 15.441 1.00 61.25 ? 120 GLN A O 1 ATOM 698 C CB . GLN A 1 95 ? -28.755 -14.915 15.122 1.00 64.03 ? 120 GLN A CB 1 ATOM 699 C CG . GLN A 1 95 ? -29.884 -13.893 15.087 1.00 64.93 ? 120 GLN A CG 1 ATOM 700 C CD . GLN A 1 95 ? -30.632 -13.890 13.768 1.00 64.69 ? 120 GLN A CD 1 ATOM 701 O OE1 . GLN A 1 95 ? -30.060 -14.172 12.714 1.00 65.33 ? 120 GLN A OE1 1 ATOM 702 N NE2 . GLN A 1 95 ? -31.922 -13.567 13.821 1.00 64.64 ? 120 GLN A NE2 1 ATOM 703 N N . SER A 1 96 ? -26.762 -16.745 17.691 1.00 60.22 ? 121 SER A N 1 ATOM 704 C CA . SER A 1 96 ? -25.704 -17.748 17.852 1.00 60.10 ? 121 SER A CA 1 ATOM 705 C C . SER A 1 96 ? -24.289 -17.235 17.531 1.00 60.28 ? 121 SER A C 1 ATOM 706 O O . SER A 1 96 ? -23.306 -17.792 18.027 1.00 61.85 ? 121 SER A O 1 ATOM 707 C CB . SER A 1 96 ? -26.013 -19.002 17.022 1.00 61.04 ? 121 SER A CB 1 ATOM 708 O OG . SER A 1 96 ? -27.397 -19.326 17.066 1.00 61.93 ? 121 SER A OG 1 ATOM 709 N N . ASN A 1 97 ? -24.180 -16.187 16.714 1.00 57.82 ? 122 ASN A N 1 ATOM 710 C CA . ASN A 1 97 ? -22.879 -15.602 16.382 1.00 56.27 ? 122 ASN A CA 1 ATOM 711 C C . ASN A 1 97 ? -22.334 -14.738 17.516 1.00 54.53 ? 122 ASN A C 1 ATOM 712 O O . ASN A 1 97 ? -23.044 -14.450 18.477 1.00 55.66 ? 122 ASN A O 1 ATOM 713 C CB . ASN A 1 97 ? -22.963 -14.789 15.086 1.00 57.28 ? 122 ASN A CB 1 ATOM 714 C CG . ASN A 1 97 ? -22.836 -15.652 13.847 1.00 58.70 ? 122 ASN A CG 1 ATOM 715 O OD1 . ASN A 1 97 ? -22.302 -15.211 12.831 1.00 59.29 ? 122 ASN A OD1 1 ATOM 716 N ND2 . ASN A 1 97 ? -23.318 -16.891 13.927 1.00 60.35 ? 122 ASN A ND2 1 ATOM 717 N N . LEU A 1 98 ? -21.070 -14.337 17.394 1.00 51.69 ? 123 LEU A N 1 ATOM 718 C CA . LEU A 1 98 ? -20.389 -13.576 18.436 1.00 50.81 ? 123 LEU A CA 1 ATOM 719 C C . LEU A 1 98 ? -19.482 -12.519 17.804 1.00 47.68 ? 123 LEU A C 1 ATOM 720 O O . LEU A 1 98 ? -18.655 -12.843 16.967 1.00 45.74 ? 123 LEU A O 1 ATOM 721 C CB . LEU A 1 98 ? -19.556 -14.522 19.305 1.00 51.47 ? 123 LEU A CB 1 ATOM 722 C CG . LEU A 1 98 ? -19.374 -14.224 20.796 1.00 52.01 ? 123 LEU A CG 1 ATOM 723 C CD1 . LEU A 1 98 ? -18.155 -14.982 21.300 1.00 53.88 ? 123 LEU A CD1 1 ATOM 724 C CD2 . LEU A 1 98 ? -19.220 -12.750 21.103 1.00 52.15 ? 123 LEU A CD2 1 ATOM 725 N N . ILE A 1 99 ? -19.644 -11.262 18.206 1.00 48.13 ? 124 ILE A N 1 ATOM 726 C CA . ILE A 1 99 ? -18.832 -10.169 17.674 1.00 48.50 ? 124 ILE A CA 1 ATOM 727 C C . ILE A 1 99 ? -17.904 -9.639 18.754 1.00 45.85 ? 124 ILE A C 1 ATOM 728 O O . ILE A 1 99 ? -18.356 -9.202 19.806 1.00 45.57 ? 124 ILE A O 1 ATOM 729 C CB . ILE A 1 99 ? -19.703 -9.019 17.125 1.00 50.34 ? 124 ILE A CB 1 ATOM 730 C CG1 . ILE A 1 99 ? -20.417 -9.478 15.851 1.00 50.85 ? 124 ILE A CG1 1 ATOM 731 C CG2 . ILE A 1 99 ? -18.848 -7.790 16.818 1.00 49.82 ? 124 ILE A CG2 1 ATOM 732 C CD1 . ILE A 1 99 ? -21.476 -8.528 15.365 1.00 50.95 ? 124 ILE A CD1 1 ATOM 733 N N . GLU A 1 100 ? -16.607 -9.673 18.470 1.00 44.60 ? 125 GLU A N 1 ATOM 734 C CA . GLU A 1 100 ? -15.585 -9.286 19.425 1.00 43.93 ? 125 GLU A CA 1 ATOM 735 C C . GLU A 1 100 ? -15.022 -7.932 19.023 1.00 43.55 ? 125 GLU A C 1 ATOM 736 O O . GLU A 1 100 ? -14.467 -7.787 17.937 1.00 45.85 ? 125 GLU A O 1 ATOM 737 C CB . GLU A 1 100 ? -14.480 -10.335 19.441 1.00 43.47 ? 125 GLU A CB 1 ATOM 738 C CG . GLU A 1 100 ? -14.954 -11.733 19.803 1.00 43.90 ? 125 GLU A CG 1 ATOM 739 C CD . GLU A 1 100 ? -15.087 -11.941 21.300 1.00 47.12 ? 125 GLU A CD 1 ATOM 740 O OE1 . GLU A 1 100 ? -15.751 -11.124 21.977 1.00 46.78 ? 125 GLU A OE1 1 ATOM 741 O OE2 . GLU A 1 100 ? -14.513 -12.926 21.807 1.00 50.29 ? 125 GLU A OE2 1 ATOM 742 N N . SER A 1 101 ? -15.169 -6.943 19.897 1.00 42.88 ? 126 SER A N 1 ATOM 743 C CA . SER A 1 101 ? -14.787 -5.572 19.577 1.00 43.33 ? 126 SER A CA 1 ATOM 744 C C . SER A 1 101 ? -13.295 -5.369 19.708 1.00 45.12 ? 126 SER A C 1 ATOM 745 O O . SER A 1 101 ? -12.614 -6.131 20.400 1.00 49.06 ? 126 SER A O 1 ATOM 746 C CB . SER A 1 101 ? -15.477 -4.595 20.536 1.00 46.72 ? 126 SER A CB 1 ATOM 747 O OG . SER A 1 101 ? -14.781 -4.513 21.771 1.00 46.11 ? 126 SER A OG 1 ATOM 748 N N . HIS A 1 102 ? -12.792 -4.318 19.065 1.00 44.93 ? 127 HIS A N 1 ATOM 749 C CA . HIS A 1 102 ? -11.455 -3.807 19.369 1.00 40.80 ? 127 HIS A CA 1 ATOM 750 C C . HIS A 1 102 ? -11.467 -3.418 20.833 1.00 40.28 ? 127 HIS A C 1 ATOM 751 O O . HIS A 1 102 ? -12.483 -2.926 21.337 1.00 43.04 ? 127 HIS A O 1 ATOM 752 C CB . HIS A 1 102 ? -11.113 -2.563 18.548 1.00 37.77 ? 127 HIS A CB 1 ATOM 753 C CG . HIS A 1 102 ? -11.014 -2.802 17.078 1.00 35.45 ? 127 HIS A CG 1 ATOM 754 N ND1 . HIS A 1 102 ? -9.881 -3.305 16.482 1.00 36.40 ? 127 HIS A ND1 1 ATOM 755 C CD2 . HIS A 1 102 ? -11.898 -2.576 16.076 1.00 37.87 ? 127 HIS A CD2 1 ATOM 756 C CE1 . HIS A 1 102 ? -10.071 -3.382 15.176 1.00 39.26 ? 127 HIS A CE1 1 ATOM 757 N NE2 . HIS A 1 102 ? -11.291 -2.952 14.904 1.00 36.63 ? 127 HIS A NE2 1 ATOM 758 N N . SER A 1 103 ? -10.354 -3.643 21.520 1.00 40.89 ? 128 SER A N 1 ATOM 759 C CA . SER A 1 103 ? -10.271 -3.315 22.934 1.00 40.47 ? 128 SER A CA 1 ATOM 760 C C . SER A 1 103 ? -10.008 -1.833 23.100 1.00 41.59 ? 128 SER A C 1 ATOM 761 O O . SER A 1 103 ? -9.497 -1.187 22.195 1.00 44.18 ? 128 SER A O 1 ATOM 762 C CB . SER A 1 103 ? -9.167 -4.118 23.612 1.00 41.51 ? 128 SER A CB 1 ATOM 763 O OG . SER A 1 103 ? -7.891 -3.685 23.182 1.00 42.01 ? 128 SER A OG 1 ATOM 764 N N . THR A 1 104 ? -10.379 -1.304 24.260 1.00 44.35 ? 129 THR A N 1 ATOM 765 C CA . THR A 1 104 ? -10.089 0.083 24.635 1.00 41.94 ? 129 THR A CA 1 ATOM 766 C C . THR A 1 104 ? -9.258 0.024 25.893 1.00 42.12 ? 129 THR A C 1 ATOM 767 O O . THR A 1 104 ? -9.508 -0.823 26.755 1.00 42.44 ? 129 THR A O 1 ATOM 768 C CB . THR A 1 104 ? -11.362 0.909 24.902 1.00 42.32 ? 129 THR A CB 1 ATOM 769 O OG1 . THR A 1 104 ? -10.998 2.245 25.255 1.00 46.44 ? 129 THR A OG1 1 ATOM 770 C CG2 . THR A 1 104 ? -12.190 0.331 26.033 1.00 41.02 ? 129 THR A CG2 1 ATOM 771 N N . THR A 1 105 ? -8.283 0.918 26.010 1.00 43.75 ? 130 THR A N 1 ATOM 772 C CA . THR A 1 105 ? -7.276 0.794 27.055 1.00 46.19 ? 130 THR A CA 1 ATOM 773 C C . THR A 1 105 ? -7.327 1.955 28.030 1.00 48.66 ? 130 THR A C 1 ATOM 774 O O . THR A 1 105 ? -7.085 3.097 27.646 1.00 50.86 ? 130 THR A O 1 ATOM 775 C CB . THR A 1 105 ? -5.867 0.671 26.441 1.00 45.66 ? 130 THR A CB 1 ATOM 776 O OG1 . THR A 1 105 ? -5.833 -0.460 25.565 1.00 42.31 ? 130 THR A OG1 1 ATOM 777 C CG2 . THR A 1 105 ? -4.816 0.483 27.521 1.00 45.30 ? 130 THR A CG2 1 ATOM 778 N N . LEU A 1 106 ? -7.634 1.646 29.292 1.00 50.03 ? 131 LEU A N 1 ATOM 779 C CA . LEU A 1 106 ? -7.703 2.650 30.360 1.00 50.05 ? 131 LEU A CA 1 ATOM 780 C C . LEU A 1 106 ? -6.341 2.828 31.012 1.00 49.61 ? 131 LEU A C 1 ATOM 781 O O . LEU A 1 106 ? -5.754 1.869 31.518 1.00 49.52 ? 131 LEU A O 1 ATOM 782 C CB . LEU A 1 106 ? -8.690 2.236 31.458 1.00 53.39 ? 131 LEU A CB 1 ATOM 783 C CG . LEU A 1 106 ? -10.179 2.036 31.177 1.00 55.69 ? 131 LEU A CG 1 ATOM 784 C CD1 . LEU A 1 106 ? -10.907 1.873 32.501 1.00 56.63 ? 131 LEU A CD1 1 ATOM 785 C CD2 . LEU A 1 106 ? -10.766 3.190 30.404 1.00 57.66 ? 131 LEU A CD2 1 ATOM 786 N N . TYR A 1 107 ? -5.853 4.062 31.004 1.00 49.60 ? 132 TYR A N 1 ATOM 787 C CA . TYR A 1 107 ? -4.639 4.428 31.712 1.00 46.74 ? 132 TYR A CA 1 ATOM 788 C C . TYR A 1 107 ? -5.047 5.282 32.897 1.00 48.57 ? 132 TYR A C 1 ATOM 789 O O . TYR A 1 107 ? -5.265 6.485 32.757 1.00 50.92 ? 132 TYR A O 1 ATOM 790 C CB . TYR A 1 107 ? -3.703 5.201 30.798 1.00 42.68 ? 132 TYR A CB 1 ATOM 791 C CG . TYR A 1 107 ? -3.137 4.378 29.677 1.00 41.07 ? 132 TYR A CG 1 ATOM 792 C CD1 . TYR A 1 107 ? -2.067 3.521 29.892 1.00 43.50 ? 132 TYR A CD1 1 ATOM 793 C CD2 . TYR A 1 107 ? -3.657 4.464 28.394 1.00 42.29 ? 132 TYR A CD2 1 ATOM 794 C CE1 . TYR A 1 107 ? -1.531 2.760 28.858 1.00 42.52 ? 132 TYR A CE1 1 ATOM 795 C CE2 . TYR A 1 107 ? -3.132 3.705 27.353 1.00 42.91 ? 132 TYR A CE2 1 ATOM 796 C CZ . TYR A 1 107 ? -2.072 2.856 27.596 1.00 43.11 ? 132 TYR A CZ 1 ATOM 797 O OH . TYR A 1 107 ? -1.544 2.111 26.576 1.00 44.13 ? 132 TYR A OH 1 ATOM 798 N N . VAL A 1 108 ? -5.176 4.647 34.059 1.00 50.19 ? 133 VAL A N 1 ATOM 799 C CA . VAL A 1 108 ? -5.578 5.343 35.276 1.00 48.63 ? 133 VAL A CA 1 ATOM 800 C C . VAL A 1 108 ? -4.343 5.866 35.986 1.00 45.41 ? 133 VAL A C 1 ATOM 801 O O . VAL A 1 108 ? -3.407 5.121 36.231 1.00 41.10 ? 133 VAL A O 1 ATOM 802 C CB . VAL A 1 108 ? -6.362 4.420 36.246 1.00 49.51 ? 133 VAL A CB 1 ATOM 803 C CG1 . VAL A 1 108 ? -6.626 5.125 37.577 1.00 48.44 ? 133 VAL A CG1 1 ATOM 804 C CG2 . VAL A 1 108 ? -7.674 3.976 35.614 1.00 50.11 ? 133 VAL A CG2 1 ATOM 805 N N . THR A 1 109 ? -4.362 7.149 36.328 1.00 47.82 ? 134 THR A N 1 ATOM 806 C CA . THR A 1 109 ? -3.315 7.734 37.154 1.00 49.87 ? 134 THR A CA 1 ATOM 807 C C . THR A 1 109 ? -3.766 7.716 38.626 1.00 49.54 ? 134 THR A C 1 ATOM 808 O O . THR A 1 109 ? -4.868 8.148 38.970 1.00 46.28 ? 134 THR A O 1 ATOM 809 C CB . THR A 1 109 ? -2.863 9.164 36.688 1.00 52.71 ? 134 THR A CB 1 ATOM 810 O OG1 . THR A 1 109 ? -2.802 10.047 37.815 1.00 54.71 ? 134 THR A OG1 1 ATOM 811 C CG2 . THR A 1 109 ? -3.793 9.763 35.646 1.00 55.18 ? 134 THR A CG2 1 ATOM 812 N N . ASP A 1 110 ? -2.895 7.175 39.467 1.00 48.19 ? 135 ASP A N 1 ATOM 813 C CA . ASP A 1 110 ? -3.118 7.062 40.896 1.00 47.31 ? 135 ASP A CA 1 ATOM 814 C C . ASP A 1 110 ? -2.869 8.427 41.547 1.00 47.65 ? 135 ASP A C 1 ATOM 815 O O . ASP A 1 110 ? -1.741 8.735 41.953 1.00 48.72 ? 135 ASP A O 1 ATOM 816 C CB . ASP A 1 110 ? -2.154 6.002 41.448 1.00 48.24 ? 135 ASP A CB 1 ATOM 817 C CG . ASP A 1 110 ? -2.406 5.652 42.888 1.00 49.55 ? 135 ASP A CG 1 ATOM 818 O OD1 . ASP A 1 110 ? -3.213 6.327 43.558 1.00 52.65 ? 135 ASP A OD1 1 ATOM 819 O OD2 . ASP A 1 110 ? -1.776 4.682 43.353 1.00 53.06 ? 135 ASP A OD2 1 ATOM 820 N N . VAL A 1 111 ? -3.929 9.228 41.658 1.00 46.09 ? 136 VAL A N 1 ATOM 821 C CA . VAL A 1 111 ? -3.827 10.594 42.192 1.00 44.47 ? 136 VAL A CA 1 ATOM 822 C C . VAL A 1 111 ? -3.310 10.626 43.629 1.00 42.33 ? 136 VAL A C 1 ATOM 823 O O . VAL A 1 111 ? -2.602 11.560 44.017 1.00 41.15 ? 136 VAL A O 1 ATOM 824 C CB . VAL A 1 111 ? -5.183 11.356 42.135 1.00 45.64 ? 136 VAL A CB 1 ATOM 825 C CG1 . VAL A 1 111 ? -5.739 11.363 40.712 1.00 45.79 ? 136 VAL A CG1 1 ATOM 826 C CG2 . VAL A 1 111 ? -6.203 10.771 43.122 1.00 45.74 ? 136 VAL A CG2 1 ATOM 827 N N . LYS A 1 112 ? -3.661 9.606 44.408 1.00 41.04 ? 137 LYS A N 1 ATOM 828 C CA . LYS A 1 112 ? -3.200 9.505 45.786 1.00 42.92 ? 137 LYS A CA 1 ATOM 829 C C . LYS A 1 112 ? -1.673 9.519 45.860 1.00 43.62 ? 137 LYS A C 1 ATOM 830 O O . LYS A 1 112 ? -1.100 10.228 46.690 1.00 45.42 ? 137 LYS A O 1 ATOM 831 C CB . LYS A 1 112 ? -3.758 8.243 46.456 1.00 42.78 ? 137 LYS A CB 1 ATOM 832 C CG . LYS A 1 112 ? -3.143 7.924 47.822 1.00 42.46 ? 137 LYS A CG 1 ATOM 833 C CD . LYS A 1 112 ? -3.943 6.862 48.552 1.00 42.64 ? 137 LYS A CD 1 ATOM 834 C CE . LYS A 1 112 ? -3.148 6.244 49.683 1.00 43.48 ? 137 LYS A CE 1 ATOM 835 N NZ . LYS A 1 112 ? -3.990 5.363 50.533 1.00 44.60 ? 137 LYS A NZ 1 ATOM 836 N N . HIS A 1 113 ? -1.024 8.747 44.990 1.00 43.67 ? 138 HIS A N 1 ATOM 837 C CA . HIS A 1 113 ? 0.439 8.632 44.990 1.00 44.05 ? 138 HIS A CA 1 ATOM 838 C C . HIS A 1 113 ? 1.115 9.468 43.897 1.00 45.32 ? 138 HIS A C 1 ATOM 839 O O . HIS A 1 113 ? 2.312 9.336 43.680 1.00 46.26 ? 138 HIS A O 1 ATOM 840 C CB . HIS A 1 113 ? 0.845 7.167 44.854 1.00 41.36 ? 138 HIS A CB 1 ATOM 841 C CG . HIS A 1 113 ? 0.394 6.312 45.994 1.00 40.60 ? 138 HIS A CG 1 ATOM 842 N ND1 . HIS A 1 113 ? 1.144 6.146 47.137 1.00 41.18 ? 138 HIS A ND1 1 ATOM 843 C CD2 . HIS A 1 113 ? -0.726 5.574 46.170 1.00 40.07 ? 138 HIS A CD2 1 ATOM 844 C CE1 . HIS A 1 113 ? 0.503 5.346 47.970 1.00 40.50 ? 138 HIS A CE1 1 ATOM 845 N NE2 . HIS A 1 113 ? -0.633 4.982 47.406 1.00 39.11 ? 138 HIS A NE2 1 ATOM 846 N N . HIS A 1 114 ? 0.353 10.324 43.219 1.00 46.18 ? 139 HIS A N 1 ATOM 847 C CA . HIS A 1 114 ? 0.908 11.273 42.254 1.00 48.13 ? 139 HIS A CA 1 ATOM 848 C C . HIS A 1 114 ? 1.007 12.673 42.871 1.00 49.71 ? 139 HIS A C 1 ATOM 849 O O . HIS A 1 114 ? 0.012 13.184 43.393 1.00 51.75 ? 139 HIS A O 1 ATOM 850 C CB . HIS A 1 114 ? 0.026 11.315 41.008 1.00 49.43 ? 139 HIS A CB 1 ATOM 851 C CG . HIS A 1 114 ? 0.444 12.341 40.004 1.00 48.52 ? 139 HIS A CG 1 ATOM 852 N ND1 . HIS A 1 114 ? 1.706 12.367 39.449 1.00 49.81 ? 139 HIS A ND1 1 ATOM 853 C CD2 . HIS A 1 114 ? -0.233 13.372 39.450 1.00 48.88 ? 139 HIS A CD2 1 ATOM 854 C CE1 . HIS A 1 114 ? 1.792 13.378 38.604 1.00 50.39 ? 139 HIS A CE1 1 ATOM 855 N NE2 . HIS A 1 114 ? 0.626 14.001 38.581 1.00 51.79 ? 139 HIS A NE2 1 ATOM 856 N N . HIS A 1 115 ? 2.193 13.287 42.796 1.00 50.25 ? 140 HIS A N 1 ATOM 857 C CA . HIS A 1 115 ? 2.468 14.569 43.465 1.00 53.84 ? 140 HIS A CA 1 ATOM 858 C C . HIS A 1 115 ? 3.184 15.595 42.584 1.00 57.46 ? 140 HIS A C 1 ATOM 859 O O . HIS A 1 115 ? 4.275 15.327 42.075 1.00 57.72 ? 140 HIS A O 1 ATOM 860 C CB . HIS A 1 115 ? 3.338 14.347 44.704 1.00 51.26 ? 140 HIS A CB 1 ATOM 861 C CG . HIS A 1 115 ? 2.847 13.262 45.607 1.00 49.67 ? 140 HIS A CG 1 ATOM 862 N ND1 . HIS A 1 115 ? 3.664 12.245 46.051 1.00 47.86 ? 140 HIS A ND1 1 ATOM 863 C CD2 . HIS A 1 115 ? 1.624 13.027 46.140 1.00 47.33 ? 140 HIS A CD2 1 ATOM 864 C CE1 . HIS A 1 115 ? 2.967 11.432 46.824 1.00 48.00 ? 140 HIS A CE1 1 ATOM 865 N NE2 . HIS A 1 115 ? 1.726 11.883 46.892 1.00 47.54 ? 140 HIS A NE2 1 ATOM 866 N N . HIS A 1 116 ? 2.583 16.778 42.444 1.00 62.76 ? 141 HIS A N 1 ATOM 867 C CA . HIS A 1 116 ? 3.229 17.914 41.776 1.00 67.05 ? 141 HIS A CA 1 ATOM 868 C C . HIS A 1 116 ? 4.112 18.657 42.779 1.00 71.51 ? 141 HIS A C 1 ATOM 869 O O . HIS A 1 116 ? 3.635 19.057 43.844 1.00 72.93 ? 141 HIS A O 1 ATOM 870 C CB . HIS A 1 116 ? 2.189 18.896 41.219 1.00 70.35 ? 141 HIS A CB 1 ATOM 871 C CG . HIS A 1 116 ? 1.162 18.264 40.330 1.00 72.86 ? 141 HIS A CG 1 ATOM 872 N ND1 . HIS A 1 116 ? -0.147 18.072 40.723 1.00 72.81 ? 141 HIS A ND1 1 ATOM 873 C CD2 . HIS A 1 116 ? 1.249 17.788 39.065 1.00 72.76 ? 141 HIS A CD2 1 ATOM 874 C CE1 . HIS A 1 116 ? -0.821 17.500 39.741 1.00 72.70 ? 141 HIS A CE1 1 ATOM 875 N NE2 . HIS A 1 116 ? 0.003 17.316 38.724 1.00 73.38 ? 141 HIS A NE2 1 ATOM 876 N N . HIS A 1 117 ? 5.389 18.841 42.448 1.00 73.40 ? 142 HIS A N 1 ATOM 877 C CA . HIS A 1 117 ? 6.305 19.581 43.322 1.00 74.12 ? 142 HIS A CA 1 ATOM 878 C C . HIS A 1 117 ? 6.271 21.087 43.035 1.00 75.32 ? 142 HIS A C 1 ATOM 879 O O . HIS A 1 117 ? 6.317 21.897 43.964 1.00 76.12 ? 142 HIS A O 1 ATOM 880 C CB . HIS A 1 117 ? 7.740 19.053 43.193 1.00 76.24 ? 142 HIS A CB 1 ATOM 881 C CG . HIS A 1 117 ? 7.904 17.624 43.614 1.00 76.61 ? 142 HIS A CG 1 ATOM 882 N ND1 . HIS A 1 117 ? 9.090 16.938 43.464 1.00 76.25 ? 142 HIS A ND1 1 ATOM 883 C CD2 . HIS A 1 117 ? 7.030 16.748 44.166 1.00 76.75 ? 142 HIS A CD2 1 ATOM 884 C CE1 . HIS A 1 117 ? 8.944 15.705 43.915 1.00 76.66 ? 142 HIS A CE1 1 ATOM 885 N NE2 . HIS A 1 117 ? 7.702 15.563 44.344 1.00 77.19 ? 142 HIS A NE2 1 ATOM 886 N N . HIS A 1 118 ? 6.195 21.446 41.750 1.00 75.09 ? 143 HIS A N 1 ATOM 887 C CA . HIS A 1 118 ? 6.194 22.845 41.297 1.00 74.51 ? 143 HIS A CA 1 ATOM 888 C C . HIS A 1 118 ? 7.468 23.592 41.711 1.00 73.49 ? 143 HIS A C 1 ATOM 889 O O . HIS A 1 118 ? 7.473 24.368 42.667 1.00 72.00 ? 143 HIS A O 1 ATOM 890 C CB . HIS A 1 118 ? 4.937 23.581 41.789 1.00 74.51 ? 143 HIS A CB 1 ATOM 891 N N . PRO B 2 6 ? 1.593 -7.101 12.243 1.00 88.27 ? 2 PRO B N 1 ATOM 892 C CA . PRO B 2 6 ? 2.636 -7.936 12.846 1.00 88.18 ? 2 PRO B CA 1 ATOM 893 C C . PRO B 2 6 ? 2.690 -7.837 14.377 1.00 88.54 ? 2 PRO B C 1 ATOM 894 O O . PRO B 2 6 ? 2.586 -8.859 15.053 1.00 89.62 ? 2 PRO B O 1 ATOM 895 C CB . PRO B 2 6 ? 3.926 -7.403 12.209 1.00 88.97 ? 2 PRO B CB 1 ATOM 896 C CG . PRO B 2 6 ? 3.500 -6.854 10.887 1.00 88.86 ? 2 PRO B CG 1 ATOM 897 C CD . PRO B 2 6 ? 2.052 -6.435 11.012 1.00 88.49 ? 2 PRO B CD 1 ATOM 898 N N . SER B 2 7 ? 2.831 -6.624 14.911 1.00 86.63 ? 3 SER B N 1 ATOM 899 C CA . SER B 2 7 ? 2.937 -6.408 16.361 1.00 84.77 ? 3 SER B CA 1 ATOM 900 C C . SER B 2 7 ? 1.582 -6.497 17.083 1.00 83.14 ? 3 SER B C 1 ATOM 901 O O . SER B 2 7 ? 1.052 -5.486 17.543 1.00 83.25 ? 3 SER B O 1 ATOM 902 C CB . SER B 2 7 ? 3.570 -5.042 16.637 1.00 84.87 ? 3 SER B CB 1 ATOM 903 O OG . SER B 2 7 ? 4.741 -4.862 15.864 1.00 87.16 ? 3 SER B OG 1 ATOM 904 N N . CYS B 2 8 ? 1.038 -7.708 17.199 1.00 80.52 ? 4 CYS B N 1 ATOM 905 C CA . CYS B 2 8 ? -0.249 -7.923 17.863 1.00 80.88 ? 4 CYS B CA 1 ATOM 906 C C . CYS B 2 8 ? -0.075 -8.352 19.309 1.00 80.24 ? 4 CYS B C 1 ATOM 907 O O . CYS B 2 8 ? 0.814 -9.143 19.621 1.00 79.51 ? 4 CYS B O 1 ATOM 908 C CB . CYS B 2 8 ? -1.058 -8.990 17.123 1.00 80.03 ? 4 CYS B CB 1 ATOM 909 S SG . CYS B 2 8 ? -1.457 -8.551 15.421 1.00 80.12 ? 4 CYS B SG 1 ATOM 910 N N . LYS B 2 9 ? -0.943 -7.842 20.184 1.00 80.62 ? 5 LYS B N 1 ATOM 911 C CA . LYS B 2 9 ? -0.940 -8.232 21.596 1.00 81.60 ? 5 LYS B CA 1 ATOM 912 C C . LYS B 2 9 ? -1.376 -9.686 21.768 1.00 80.88 ? 5 LYS B C 1 ATOM 913 O O . LYS B 2 9 ? -1.817 -10.335 20.818 1.00 80.73 ? 5 LYS B O 1 ATOM 914 C CB . LYS B 2 9 ? -1.859 -7.321 22.411 1.00 82.14 ? 5 LYS B CB 1 ATOM 915 C CG . LYS B 2 9 ? -1.358 -5.892 22.554 1.00 83.06 ? 5 LYS B CG 1 ATOM 916 C CD . LYS B 2 9 ? -2.452 -4.960 23.063 1.00 83.56 ? 5 LYS B CD 1 ATOM 917 C CE . LYS B 2 9 ? -2.795 -5.221 24.527 1.00 83.74 ? 5 LYS B CE 1 ATOM 918 N NZ . LYS B 2 9 ? -4.019 -4.496 24.955 1.00 82.67 ? 5 LYS B NZ 1 ATOM 919 N N . GLU B 2 10 ? -1.256 -10.189 22.991 1.00 82.34 ? 6 GLU B N 1 ATOM 920 C CA . GLU B 2 10 ? -1.616 -11.572 23.299 1.00 83.27 ? 6 GLU B CA 1 ATOM 921 C C . GLU B 2 10 ? -3.019 -11.951 22.790 1.00 83.71 ? 6 GLU B C 1 ATOM 922 O O . GLU B 2 10 ? -3.230 -13.078 22.332 1.00 84.75 ? 6 GLU B O 1 ATOM 923 C CB . GLU B 2 10 ? -1.521 -11.818 24.812 1.00 85.32 ? 6 GLU B CB 1 ATOM 924 C CG . GLU B 2 10 ? -1.173 -13.248 25.195 1.00 86.64 ? 6 GLU B CG 1 ATOM 925 C CD . GLU B 2 10 ? 0.289 -13.591 24.956 1.00 89.81 ? 6 GLU B CD 1 ATOM 926 O OE1 . GLU B 2 10 ? 1.161 -12.752 25.279 1.00 90.99 ? 6 GLU B OE1 1 ATOM 927 O OE2 . GLU B 2 10 ? 0.567 -14.705 24.457 1.00 90.79 ? 6 GLU B OE2 1 ATOM 928 N N . ASP B 2 11 ? -3.959 -11.004 22.860 1.00 82.38 ? 7 ASP B N 1 ATOM 929 C CA . ASP B 2 11 ? -5.365 -11.251 22.497 1.00 81.64 ? 7 ASP B CA 1 ATOM 930 C C . ASP B 2 11 ? -5.738 -10.871 21.054 1.00 81.62 ? 7 ASP B C 1 ATOM 931 O O . ASP B 2 11 ? -6.905 -10.970 20.671 1.00 81.85 ? 7 ASP B O 1 ATOM 932 C CB . ASP B 2 11 ? -6.294 -10.515 23.471 1.00 80.69 ? 7 ASP B CB 1 ATOM 933 C CG . ASP B 2 11 ? -6.102 -9.012 23.443 1.00 81.35 ? 7 ASP B CG 1 ATOM 934 O OD1 . ASP B 2 11 ? -5.060 -8.540 23.944 1.00 82.89 ? 7 ASP B OD1 1 ATOM 935 O OD2 . ASP B 2 11 ? -6.988 -8.301 22.928 1.00 81.83 ? 7 ASP B OD2 1 ATOM 936 N N . GLU B 2 12 ? -4.758 -10.453 20.257 1.00 81.28 ? 8 GLU B N 1 ATOM 937 C CA . GLU B 2 12 ? -5.021 -9.989 18.895 1.00 81.54 ? 8 GLU B CA 1 ATOM 938 C C . GLU B 2 12 ? -4.232 -10.803 17.883 1.00 79.26 ? 8 GLU B C 1 ATOM 939 O O . GLU B 2 12 ? -3.245 -11.440 18.244 1.00 80.61 ? 8 GLU B O 1 ATOM 940 C CB . GLU B 2 12 ? -4.639 -8.520 18.768 1.00 83.60 ? 8 GLU B CB 1 ATOM 941 C CG . GLU B 2 12 ? -5.368 -7.598 19.734 1.00 84.70 ? 8 GLU B CG 1 ATOM 942 C CD . GLU B 2 12 ? -4.706 -6.238 19.861 1.00 86.00 ? 8 GLU B CD 1 ATOM 943 O OE1 . GLU B 2 12 ? -3.580 -6.063 19.341 1.00 88.14 ? 8 GLU B OE1 1 ATOM 944 O OE2 . GLU B 2 12 ? -5.309 -5.341 20.492 1.00 88.58 ? 8 GLU B OE2 1 ATOM 945 N N . TYR B 2 13 ? -4.656 -10.774 16.619 1.00 76.84 ? 9 TYR B N 1 ATOM 946 C CA . TYR B 2 13 ? -3.998 -11.571 15.572 1.00 77.51 ? 9 TYR B CA 1 ATOM 947 C C . TYR B 2 13 ? -3.904 -10.828 14.236 1.00 76.28 ? 9 TYR B C 1 ATOM 948 O O . TYR B 2 13 ? -4.724 -9.957 13.955 1.00 74.42 ? 9 TYR B O 1 ATOM 949 C CB . TYR B 2 13 ? -4.720 -12.913 15.382 1.00 75.86 ? 9 TYR B CB 1 ATOM 950 C CG . TYR B 2 13 ? -5.929 -12.862 14.468 1.00 74.97 ? 9 TYR B CG 1 ATOM 951 C CD1 . TYR B 2 13 ? -7.147 -12.368 14.917 1.00 74.47 ? 9 TYR B CD1 1 ATOM 952 C CD2 . TYR B 2 13 ? -5.850 -13.315 13.154 1.00 75.31 ? 9 TYR B CD2 1 ATOM 953 C CE1 . TYR B 2 13 ? -8.258 -12.324 14.083 1.00 74.93 ? 9 TYR B CE1 1 ATOM 954 C CE2 . TYR B 2 13 ? -6.954 -13.274 12.311 1.00 75.83 ? 9 TYR B CE2 1 ATOM 955 C CZ . TYR B 2 13 ? -8.154 -12.780 12.783 1.00 75.63 ? 9 TYR B CZ 1 ATOM 956 O OH . TYR B 2 13 ? -9.245 -12.743 11.948 1.00 76.23 ? 9 TYR B OH 1 ATOM 957 N N . PRO B 2 14 ? -2.918 -11.191 13.395 1.00 77.02 ? 10 PRO B N 1 ATOM 958 C CA . PRO B 2 14 ? -2.649 -10.411 12.179 1.00 77.82 ? 10 PRO B CA 1 ATOM 959 C C . PRO B 2 14 ? -3.566 -10.711 10.982 1.00 77.50 ? 10 PRO B C 1 ATOM 960 O O . PRO B 2 14 ? -3.693 -11.864 10.570 1.00 79.13 ? 10 PRO B O 1 ATOM 961 C CB . PRO B 2 14 ? -1.190 -10.773 11.840 1.00 77.42 ? 10 PRO B CB 1 ATOM 962 C CG . PRO B 2 14 ? -0.763 -11.839 12.841 1.00 77.71 ? 10 PRO B CG 1 ATOM 963 C CD . PRO B 2 14 ? -2.000 -12.335 13.513 1.00 78.09 ? 10 PRO B CD 1 ATOM 964 N N . VAL B 2 15 ? -4.185 -9.666 10.438 1.00 77.62 ? 11 VAL B N 1 ATOM 965 C CA . VAL B 2 15 ? -4.957 -9.746 9.191 1.00 78.47 ? 11 VAL B CA 1 ATOM 966 C C . VAL B 2 15 ? -4.671 -8.483 8.372 1.00 78.61 ? 11 VAL B C 1 ATOM 967 O O . VAL B 2 15 ? -5.030 -7.376 8.777 1.00 75.95 ? 11 VAL B O 1 ATOM 968 C CB . VAL B 2 15 ? -6.492 -9.945 9.443 1.00 79.34 ? 11 VAL B CB 1 ATOM 969 C CG1 . VAL B 2 15 ? -6.921 -9.291 10.722 1.00 82.35 ? 11 VAL B CG1 1 ATOM 970 C CG2 . VAL B 2 15 ? -7.345 -9.433 8.272 1.00 77.42 ? 11 VAL B CG2 1 ATOM 971 N N . GLY B 2 16 ? -4.023 -8.668 7.220 1.00 80.01 ? 12 GLY B N 1 ATOM 972 C CA . GLY B 2 16 ? -3.484 -7.560 6.444 1.00 79.18 ? 12 GLY B CA 1 ATOM 973 C C . GLY B 2 16 ? -2.244 -7.051 7.147 1.00 79.52 ? 12 GLY B C 1 ATOM 974 O O . GLY B 2 16 ? -1.427 -7.846 7.611 1.00 79.19 ? 12 GLY B O 1 ATOM 975 N N . SER B 2 17 ? -2.111 -5.730 7.239 1.00 80.41 ? 13 SER B N 1 ATOM 976 C CA . SER B 2 17 ? -0.986 -5.099 7.936 1.00 81.18 ? 13 SER B CA 1 ATOM 977 C C . SER B 2 17 ? -1.337 -4.648 9.365 1.00 81.26 ? 13 SER B C 1 ATOM 978 O O . SER B 2 17 ? -0.473 -4.134 10.077 1.00 80.46 ? 13 SER B O 1 ATOM 979 C CB . SER B 2 17 ? -0.477 -3.898 7.133 1.00 82.70 ? 13 SER B CB 1 ATOM 980 O OG . SER B 2 17 ? -1.445 -2.861 7.086 1.00 83.94 ? 13 SER B OG 1 ATOM 981 N N . GLU B 2 18 ? -2.594 -4.831 9.774 1.00 81.24 ? 14 GLU B N 1 ATOM 982 C CA . GLU B 2 18 ? -3.055 -4.428 11.109 1.00 80.92 ? 14 GLU B CA 1 ATOM 983 C C . GLU B 2 18 ? -3.505 -5.624 11.943 1.00 79.40 ? 14 GLU B C 1 ATOM 984 O O . GLU B 2 18 ? -3.768 -6.705 11.414 1.00 79.85 ? 14 GLU B O 1 ATOM 985 C CB . GLU B 2 18 ? -4.204 -3.407 11.014 1.00 83.35 ? 14 GLU B CB 1 ATOM 986 C CG . GLU B 2 18 ? -3.795 -1.939 11.242 1.00 85.22 ? 14 GLU B CG 1 ATOM 987 C CD . GLU B 2 18 ? -3.859 -1.078 9.986 1.00 87.85 ? 14 GLU B CD 1 ATOM 988 O OE1 . GLU B 2 18 ? -3.550 -1.583 8.884 1.00 89.37 ? 14 GLU B OE1 1 ATOM 989 O OE2 . GLU B 2 18 ? -4.212 0.118 10.108 1.00 89.09 ? 14 GLU B OE2 1 ATOM 990 N N . CYS B 2 19 ? -3.604 -5.406 13.252 1.00 78.53 ? 15 CYS B N 1 ATOM 991 C CA . CYS B 2 19 ? -4.021 -6.447 14.199 1.00 77.36 ? 15 CYS B CA 1 ATOM 992 C C . CYS B 2 19 ? -5.537 -6.485 14.367 1.00 74.26 ? 15 CYS B C 1 ATOM 993 O O . CYS B 2 19 ? -6.236 -5.588 13.921 1.00 70.21 ? 15 CYS B O 1 ATOM 994 C CB . CYS B 2 19 ? -3.347 -6.230 15.553 1.00 76.39 ? 15 CYS B CB 1 ATOM 995 S SG . CYS B 2 19 ? -1.589 -6.525 15.487 1.00 76.98 ? 15 CYS B SG 1 ATOM 996 N N . CYS B 2 20 ? -6.034 -7.527 15.026 1.00 76.35 ? 16 CYS B N 1 ATOM 997 C CA . CYS B 2 20 ? -7.473 -7.759 15.127 1.00 76.75 ? 16 CYS B CA 1 ATOM 998 C C . CYS B 2 20 ? -7.881 -8.653 16.295 1.00 75.48 ? 16 CYS B C 1 ATOM 999 O O . CYS B 2 20 ? -7.133 -9.559 16.671 1.00 78.28 ? 16 CYS B O 1 ATOM 1000 C CB . CYS B 2 20 ? -7.957 -8.397 13.841 1.00 79.18 ? 16 CYS B CB 1 ATOM 1001 S SG . CYS B 2 20 ? -8.525 -7.211 12.670 1.00 83.43 ? 16 CYS B SG 1 ATOM 1002 N N . PRO B 2 21 ? -9.077 -8.412 16.859 1.00 71.56 ? 17 PRO B N 1 ATOM 1003 C CA . PRO B 2 21 ? -9.545 -9.228 17.977 1.00 71.54 ? 17 PRO B CA 1 ATOM 1004 C C . PRO B 2 21 ? -9.716 -10.693 17.603 1.00 70.04 ? 17 PRO B C 1 ATOM 1005 O O . PRO B 2 21 ? -10.388 -11.010 16.619 1.00 67.61 ? 17 PRO B O 1 ATOM 1006 C CB . PRO B 2 21 ? -10.905 -8.609 18.338 1.00 70.94 ? 17 PRO B CB 1 ATOM 1007 C CG . PRO B 2 21 ? -10.917 -7.270 17.719 1.00 71.77 ? 17 PRO B CG 1 ATOM 1008 C CD . PRO B 2 21 ? -10.045 -7.359 16.504 1.00 72.08 ? 17 PRO B CD 1 ATOM 1009 N N . LYS B 2 22 ? -9.091 -11.570 18.384 1.00 70.52 ? 18 LYS B N 1 ATOM 1010 C CA . LYS B 2 22 ? -9.268 -13.010 18.239 1.00 70.45 ? 18 LYS B CA 1 ATOM 1011 C C . LYS B 2 22 ? -10.661 -13.425 18.703 1.00 69.39 ? 18 LYS B C 1 ATOM 1012 O O . LYS B 2 22 ? -11.262 -12.772 19.559 1.00 70.10 ? 18 LYS B O 1 ATOM 1013 C CB . LYS B 2 22 ? -8.239 -13.762 19.086 1.00 72.42 ? 18 LYS B CB 1 ATOM 1014 C CG . LYS B 2 22 ? -6.808 -13.712 18.579 1.00 72.92 ? 18 LYS B CG 1 ATOM 1015 C CD . LYS B 2 22 ? -5.864 -14.302 19.620 1.00 72.85 ? 18 LYS B CD 1 ATOM 1016 C CE . LYS B 2 22 ? -4.475 -14.549 19.069 1.00 72.85 ? 18 LYS B CE 1 ATOM 1017 N NZ . LYS B 2 22 ? -3.552 -14.972 20.153 1.00 72.79 ? 18 LYS B NZ 1 ATOM 1018 N N . CYS B 2 23 ? -11.161 -14.519 18.140 1.00 68.53 ? 19 CYS B N 1 ATOM 1019 C CA . CYS B 2 23 ? -12.418 -15.115 18.577 1.00 68.31 ? 19 CYS B CA 1 ATOM 1020 C C . CYS B 2 23 ? -12.229 -15.910 19.858 1.00 66.63 ? 19 CYS B C 1 ATOM 1021 O O . CYS B 2 23 ? -11.140 -16.412 20.133 1.00 64.80 ? 19 CYS B O 1 ATOM 1022 C CB . CYS B 2 23 ? -12.965 -16.042 17.497 1.00 70.01 ? 19 CYS B CB 1 ATOM 1023 S SG . CYS B 2 23 ? -13.524 -15.177 16.058 1.00 71.79 ? 19 CYS B SG 1 ATOM 1024 N N . SER B 2 24 ? -13.311 -16.044 20.619 1.00 67.13 ? 20 SER B N 1 ATOM 1025 C CA . SER B 2 24 ? -13.290 -16.764 21.890 1.00 68.23 ? 20 SER B CA 1 ATOM 1026 C C . SER B 2 24 ? -13.109 -18.248 21.643 1.00 68.26 ? 20 SER B C 1 ATOM 1027 O O . SER B 2 24 ? -13.258 -18.709 20.510 1.00 68.14 ? 20 SER B O 1 ATOM 1028 C CB . SER B 2 24 ? -14.599 -16.544 22.648 1.00 70.00 ? 20 SER B CB 1 ATOM 1029 O OG . SER B 2 24 ? -14.885 -15.168 22.777 1.00 72.92 ? 20 SER B OG 1 ATOM 1030 N N . PRO B 2 25 ? -12.797 -19.012 22.702 1.00 68.57 ? 21 PRO B N 1 ATOM 1031 C CA . PRO B 2 25 ? -12.745 -20.459 22.503 1.00 67.35 ? 21 PRO B CA 1 ATOM 1032 C C . PRO B 2 25 ? -14.128 -20.976 22.146 1.00 65.16 ? 21 PRO B C 1 ATOM 1033 O O . PRO B 2 25 ? -15.121 -20.453 22.650 1.00 63.48 ? 21 PRO B O 1 ATOM 1034 C CB . PRO B 2 25 ? -12.286 -20.999 23.867 1.00 68.26 ? 21 PRO B CB 1 ATOM 1035 C CG . PRO B 2 25 ? -11.745 -19.822 24.609 1.00 68.40 ? 21 PRO B CG 1 ATOM 1036 C CD . PRO B 2 25 ? -12.479 -18.630 24.089 1.00 67.97 ? 21 PRO B CD 1 ATOM 1037 N N . GLY B 2 26 ? -14.185 -21.976 21.270 1.00 65.78 ? 22 GLY B N 1 ATOM 1038 C CA . GLY B 2 26 ? -15.459 -22.514 20.778 1.00 66.22 ? 22 GLY B CA 1 ATOM 1039 C C . GLY B 2 26 ? -16.021 -21.818 19.547 1.00 65.50 ? 22 GLY B C 1 ATOM 1040 O O . GLY B 2 26 ? -17.090 -22.192 19.059 1.00 63.48 ? 22 GLY B O 1 ATOM 1041 N N . TYR B 2 27 ? -15.291 -20.824 19.036 1.00 66.29 ? 23 TYR B N 1 ATOM 1042 C CA . TYR B 2 27 ? -15.727 -20.021 17.900 1.00 66.34 ? 23 TYR B CA 1 ATOM 1043 C C . TYR B 2 27 ? -14.606 -19.796 16.895 1.00 66.69 ? 23 TYR B C 1 ATOM 1044 O O . TYR B 2 27 ? -13.447 -19.622 17.278 1.00 65.53 ? 23 TYR B O 1 ATOM 1045 C CB . TYR B 2 27 ? -16.188 -18.650 18.374 1.00 66.71 ? 23 TYR B CB 1 ATOM 1046 C CG . TYR B 2 27 ? -17.442 -18.652 19.187 1.00 65.27 ? 23 TYR B CG 1 ATOM 1047 C CD1 . TYR B 2 27 ? -17.407 -18.926 20.543 1.00 67.17 ? 23 TYR B CD1 1 ATOM 1048 C CD2 . TYR B 2 27 ? -18.663 -18.356 18.607 1.00 65.47 ? 23 TYR B CD2 1 ATOM 1049 C CE1 . TYR B 2 27 ? -18.565 -18.922 21.304 1.00 67.20 ? 23 TYR B CE1 1 ATOM 1050 C CE2 . TYR B 2 27 ? -19.821 -18.346 19.355 1.00 67.28 ? 23 TYR B CE2 1 ATOM 1051 C CZ . TYR B 2 27 ? -19.765 -18.631 20.703 1.00 66.79 ? 23 TYR B CZ 1 ATOM 1052 O OH . TYR B 2 27 ? -20.911 -18.613 21.444 1.00 67.50 ? 23 TYR B OH 1 ATOM 1053 N N . ARG B 2 28 ? -14.975 -19.756 15.616 1.00 67.37 ? 24 ARG B N 1 ATOM 1054 C CA . ARG B 2 28 ? -14.034 -19.497 14.530 1.00 67.76 ? 24 ARG B CA 1 ATOM 1055 C C . ARG B 2 28 ? -14.332 -18.164 13.859 1.00 69.52 ? 24 ARG B C 1 ATOM 1056 O O . ARG B 2 28 ? -15.430 -17.625 13.988 1.00 70.52 ? 24 ARG B O 1 ATOM 1057 C CB . ARG B 2 28 ? -14.100 -20.615 13.496 1.00 68.09 ? 24 ARG B CB 1 ATOM 1058 C CG . ARG B 2 28 ? -15.339 -20.606 12.603 1.00 68.00 ? 24 ARG B CG 1 ATOM 1059 C CD . ARG B 2 28 ? -15.409 -21.894 11.797 1.00 68.40 ? 24 ARG B CD 1 ATOM 1060 N NE . ARG B 2 28 ? -16.409 -21.853 10.727 1.00 68.12 ? 24 ARG B NE 1 ATOM 1061 C CZ . ARG B 2 28 ? -16.884 -22.932 10.106 1.00 67.31 ? 24 ARG B CZ 1 ATOM 1062 N NH1 . ARG B 2 28 ? -16.461 -24.153 10.428 1.00 67.80 ? 24 ARG B NH1 1 ATOM 1063 N NH2 . ARG B 2 28 ? -17.789 -22.791 9.150 1.00 67.19 ? 24 ARG B NH2 1 ATOM 1064 N N . VAL B 2 29 ? -13.354 -17.652 13.122 1.00 69.55 ? 25 VAL B N 1 ATOM 1065 C CA . VAL B 2 29 ? -13.489 -16.360 12.463 1.00 69.17 ? 25 VAL B CA 1 ATOM 1066 C C . VAL B 2 29 ? -14.350 -16.516 11.212 1.00 70.84 ? 25 VAL B C 1 ATOM 1067 O O . VAL B 2 29 ? -14.054 -17.336 10.340 1.00 71.52 ? 25 VAL B O 1 ATOM 1068 C CB . VAL B 2 29 ? -12.116 -15.772 12.075 1.00 66.81 ? 25 VAL B CB 1 ATOM 1069 C CG1 . VAL B 2 29 ? -12.280 -14.421 11.389 1.00 66.85 ? 25 VAL B CG1 1 ATOM 1070 C CG2 . VAL B 2 29 ? -11.236 -15.628 13.298 1.00 67.04 ? 25 VAL B CG2 1 ATOM 1071 N N . LYS B 2 30 ? -15.415 -15.724 11.141 1.00 71.85 ? 26 LYS B N 1 ATOM 1072 C CA . LYS B 2 30 ? -16.337 -15.731 10.009 1.00 72.66 ? 26 LYS B CA 1 ATOM 1073 C C . LYS B 2 30 ? -16.116 -14.505 9.119 1.00 72.36 ? 26 LYS B C 1 ATOM 1074 O O . LYS B 2 30 ? -16.165 -14.611 7.899 1.00 71.09 ? 26 LYS B O 1 ATOM 1075 C CB . LYS B 2 30 ? -17.774 -15.755 10.534 1.00 74.16 ? 26 LYS B CB 1 ATOM 1076 C CG . LYS B 2 30 ? -18.858 -15.941 9.478 1.00 74.14 ? 26 LYS B CG 1 ATOM 1077 C CD . LYS B 2 30 ? -20.240 -15.695 10.084 1.00 74.90 ? 26 LYS B CD 1 ATOM 1078 C CE . LYS B 2 30 ? -21.299 -15.438 9.023 1.00 75.07 ? 26 LYS B CE 1 ATOM 1079 N NZ . LYS B 2 30 ? -22.538 -14.861 9.612 1.00 74.10 ? 26 LYS B NZ 1 ATOM 1080 N N . GLU B 2 31 ? -15.894 -13.345 9.736 1.00 74.40 ? 27 GLU B N 1 ATOM 1081 C CA . GLU B 2 31 ? -15.610 -12.108 9.002 1.00 74.57 ? 27 GLU B CA 1 ATOM 1082 C C . GLU B 2 31 ? -14.618 -11.253 9.779 1.00 73.38 ? 27 GLU B C 1 ATOM 1083 O O . GLU B 2 31 ? -14.769 -11.053 10.982 1.00 74.89 ? 27 GLU B O 1 ATOM 1084 C CB . GLU B 2 31 ? -16.900 -11.311 8.760 1.00 76.07 ? 27 GLU B CB 1 ATOM 1085 C CG . GLU B 2 31 ? -16.729 -10.089 7.847 1.00 77.52 ? 27 GLU B CG 1 ATOM 1086 C CD . GLU B 2 31 ? -17.981 -9.225 7.759 1.00 79.45 ? 27 GLU B CD 1 ATOM 1087 O OE1 . GLU B 2 31 ? -19.100 -9.774 7.862 1.00 82.89 ? 27 GLU B OE1 1 ATOM 1088 O OE2 . GLU B 2 31 ? -17.847 -7.993 7.580 1.00 81.06 ? 27 GLU B OE2 1 ATOM 1089 N N . ALA B 2 32 ? -13.618 -10.731 9.080 1.00 73.59 ? 28 ALA B N 1 ATOM 1090 C CA . ALA B 2 32 ? -12.558 -9.947 9.712 1.00 72.67 ? 28 ALA B CA 1 ATOM 1091 C C . ALA B 2 32 ? -12.965 -8.488 9.970 1.00 71.61 ? 28 ALA B C 1 ATOM 1092 O O . ALA B 2 32 ? -13.535 -7.829 9.106 1.00 72.67 ? 28 ALA B O 1 ATOM 1093 C CB . ALA B 2 32 ? -11.285 -10.001 8.859 1.00 71.16 ? 28 ALA B CB 1 ATOM 1094 N N . CYS B 2 33 ? -12.703 -8.040 11.196 1.00 72.54 ? 29 CYS B N 1 ATOM 1095 C CA . CYS B 2 33 ? -12.597 -6.628 11.617 1.00 71.72 ? 29 CYS B CA 1 ATOM 1096 C C . CYS B 2 33 ? -12.196 -5.608 10.566 1.00 70.34 ? 29 CYS B C 1 ATOM 1097 O O . CYS B 2 33 ? -11.535 -5.933 9.579 1.00 71.73 ? 29 CYS B O 1 ATOM 1098 C CB . CYS B 2 33 ? -11.496 -6.574 12.668 1.00 76.28 ? 29 CYS B CB 1 ATOM 1099 S SG . CYS B 2 33 ? -10.358 -7.925 12.295 1.00 88.24 ? 29 CYS B SG 1 ATOM 1100 N N . GLY B 2 34 ? -12.578 -4.361 10.827 1.00 66.84 ? 30 GLY B N 1 ATOM 1101 C CA . GLY B 2 34 ? -12.010 -3.199 10.158 1.00 64.82 ? 30 GLY B CA 1 ATOM 1102 C C . GLY B 2 34 ? -11.463 -2.232 11.199 1.00 63.10 ? 30 GLY B C 1 ATOM 1103 O O . GLY B 2 34 ? -11.352 -2.565 12.383 1.00 62.16 ? 30 GLY B O 1 ATOM 1104 N N . GLU B 2 35 ? -11.133 -1.026 10.754 1.00 61.90 ? 31 GLU B N 1 ATOM 1105 C CA . GLU B 2 35 ? -10.610 0.023 11.620 1.00 62.13 ? 31 GLU B CA 1 ATOM 1106 C C . GLU B 2 35 ? -11.557 0.361 12.763 1.00 64.10 ? 31 GLU B C 1 ATOM 1107 O O . GLU B 2 35 ? -11.120 0.719 13.857 1.00 65.03 ? 31 GLU B O 1 ATOM 1108 C CB . GLU B 2 35 ? -10.386 1.281 10.788 1.00 60.94 ? 31 GLU B CB 1 ATOM 1109 C CG . GLU B 2 35 ? -9.870 2.477 11.555 1.00 62.14 ? 31 GLU B CG 1 ATOM 1110 C CD . GLU B 2 35 ? -8.507 2.235 12.181 1.00 64.06 ? 31 GLU B CD 1 ATOM 1111 O OE1 . GLU B 2 35 ? -7.753 1.364 11.684 1.00 63.53 ? 31 GLU B OE1 1 ATOM 1112 O OE2 . GLU B 2 35 ? -8.186 2.930 13.170 1.00 65.47 ? 31 GLU B OE2 1 ATOM 1113 N N . LEU B 2 36 ? -12.852 0.275 12.485 1.00 65.60 ? 32 LEU B N 1 ATOM 1114 C CA . LEU B 2 36 ? -13.885 0.712 13.407 1.00 66.18 ? 32 LEU B CA 1 ATOM 1115 C C . LEU B 2 36 ? -14.803 -0.433 13.806 1.00 65.63 ? 32 LEU B C 1 ATOM 1116 O O . LEU B 2 36 ? -15.571 -0.306 14.741 1.00 65.12 ? 32 LEU B O 1 ATOM 1117 C CB . LEU B 2 36 ? -14.717 1.804 12.737 1.00 69.07 ? 32 LEU B CB 1 ATOM 1118 C CG . LEU B 2 36 ? -14.972 3.102 13.495 1.00 72.66 ? 32 LEU B CG 1 ATOM 1119 C CD1 . LEU B 2 36 ? -15.906 3.961 12.672 1.00 73.74 ? 32 LEU B CD1 1 ATOM 1120 C CD2 . LEU B 2 36 ? -15.558 2.862 14.881 1.00 75.04 ? 32 LEU B CD2 1 ATOM 1121 N N . THR B 2 37 ? -14.723 -1.553 13.101 1.00 69.28 ? 33 THR B N 1 ATOM 1122 C CA . THR B 2 37 ? -15.659 -2.658 13.299 1.00 69.79 ? 33 THR B CA 1 ATOM 1123 C C . THR B 2 37 ? -14.922 -3.843 13.920 1.00 69.40 ? 33 THR B C 1 ATOM 1124 O O . THR B 2 37 ? -13.721 -4.020 13.706 1.00 69.54 ? 33 THR B O 1 ATOM 1125 C CB . THR B 2 37 ? -16.398 -3.058 11.976 1.00 73.24 ? 33 THR B CB 1 ATOM 1126 O OG1 . THR B 2 37 ? -16.326 -4.472 11.786 1.00 78.48 ? 33 THR B OG1 1 ATOM 1127 C CG2 . THR B 2 37 ? -15.792 -2.387 10.751 1.00 76.30 ? 33 THR B CG2 1 ATOM 1128 N N . GLY B 2 38 ? -15.644 -4.634 14.710 1.00 67.59 ? 34 GLY B N 1 ATOM 1129 C CA . GLY B 2 38 ? -15.060 -5.781 15.406 1.00 66.27 ? 34 GLY B CA 1 ATOM 1130 C C . GLY B 2 38 ? -15.099 -7.049 14.585 1.00 65.42 ? 34 GLY B C 1 ATOM 1131 O O . GLY B 2 38 ? -15.631 -7.059 13.473 1.00 65.73 ? 34 GLY B O 1 ATOM 1132 N N . THR B 2 39 ? -14.545 -8.119 15.150 1.00 65.45 ? 35 THR B N 1 ATOM 1133 C CA . THR B 2 39 ? -14.393 -9.402 14.458 1.00 65.77 ? 35 THR B CA 1 ATOM 1134 C C . THR B 2 39 ? -15.630 -10.270 14.636 1.00 65.96 ? 35 THR B C 1 ATOM 1135 O O . THR B 2 39 ? -16.070 -10.505 15.765 1.00 65.01 ? 35 THR B O 1 ATOM 1136 C CB . THR B 2 39 ? -13.192 -10.179 15.025 1.00 66.34 ? 35 THR B CB 1 ATOM 1137 O OG1 . THR B 2 39 ? -12.003 -9.396 14.873 1.00 67.46 ? 35 THR B OG1 1 ATOM 1138 C CG2 . THR B 2 39 ? -13.019 -11.523 14.321 1.00 65.78 ? 35 THR B CG2 1 ATOM 1139 N N . VAL B 2 40 ? -16.181 -10.762 13.531 1.00 66.29 ? 36 VAL B N 1 ATOM 1140 C CA . VAL B 2 40 ? -17.360 -11.625 13.603 1.00 67.88 ? 36 VAL B CA 1 ATOM 1141 C C . VAL B 2 40 ? -16.936 -13.091 13.746 1.00 68.85 ? 36 VAL B C 1 ATOM 1142 O O . VAL B 2 40 ? -16.226 -13.628 12.892 1.00 68.66 ? 36 VAL B O 1 ATOM 1143 C CB . VAL B 2 40 ? -18.282 -11.457 12.379 1.00 68.26 ? 36 VAL B CB 1 ATOM 1144 C CG1 . VAL B 2 40 ? -19.577 -12.256 12.569 1.00 68.97 ? 36 VAL B CG1 1 ATOM 1145 C CG2 . VAL B 2 40 ? -18.594 -9.981 12.145 1.00 67.34 ? 36 VAL B CG2 1 ATOM 1146 N N . CYS B 2 41 ? -17.390 -13.717 14.833 1.00 70.21 ? 37 CYS B N 1 ATOM 1147 C CA . CYS B 2 41 ? -17.046 -15.092 15.183 1.00 69.93 ? 37 CYS B CA 1 ATOM 1148 C C . CYS B 2 41 ? -18.259 -16.017 15.114 1.00 70.85 ? 37 CYS B C 1 ATOM 1149 O O . CYS B 2 41 ? -19.400 -15.571 15.241 1.00 71.14 ? 37 CYS B O 1 ATOM 1150 C CB . CYS B 2 41 ? -16.465 -15.135 16.590 1.00 69.96 ? 37 CYS B CB 1 ATOM 1151 S SG . CYS B 2 41 ? -15.069 -14.067 16.791 1.00 71.00 ? 37 CYS B SG 1 ATOM 1152 N N . GLU B 2 42 ? -17.987 -17.313 14.970 1.00 71.95 ? 38 GLU B N 1 ATOM 1153 C CA . GLU B 2 42 ? -18.995 -18.301 14.595 1.00 71.19 ? 38 GLU B CA 1 ATOM 1154 C C . GLU B 2 42 ? -18.742 -19.623 15.328 1.00 69.73 ? 38 GLU B C 1 ATOM 1155 O O . GLU B 2 42 ? -17.608 -20.092 15.358 1.00 70.50 ? 38 GLU B O 1 ATOM 1156 C CB . GLU B 2 42 ? -18.900 -18.505 13.085 1.00 73.07 ? 38 GLU B CB 1 ATOM 1157 C CG . GLU B 2 42 ? -19.918 -19.428 12.461 1.00 74.64 ? 38 GLU B CG 1 ATOM 1158 C CD . GLU B 2 42 ? -19.683 -19.586 10.970 1.00 76.04 ? 38 GLU B CD 1 ATOM 1159 O OE1 . GLU B 2 42 ? -18.634 -20.153 10.591 1.00 76.78 ? 38 GLU B OE1 1 ATOM 1160 O OE2 . GLU B 2 42 ? -20.541 -19.136 10.181 1.00 79.92 ? 38 GLU B OE2 1 ATOM 1161 N N . PRO B 2 43 ? -19.788 -20.225 15.928 1.00 68.91 ? 39 PRO B N 1 ATOM 1162 C CA . PRO B 2 43 ? -19.627 -21.485 16.658 1.00 68.67 ? 39 PRO B CA 1 ATOM 1163 C C . PRO B 2 43 ? -18.932 -22.569 15.853 1.00 68.04 ? 39 PRO B C 1 ATOM 1164 O O . PRO B 2 43 ? -19.162 -22.688 14.652 1.00 67.83 ? 39 PRO B O 1 ATOM 1165 C CB . PRO B 2 43 ? -21.068 -21.919 16.943 1.00 67.89 ? 39 PRO B CB 1 ATOM 1166 C CG . PRO B 2 43 ? -21.851 -20.694 16.934 1.00 69.32 ? 39 PRO B CG 1 ATOM 1167 C CD . PRO B 2 43 ? -21.182 -19.747 15.975 1.00 69.92 ? 39 PRO B CD 1 ATOM 1168 N N . CYS B 2 44 ? -18.097 -23.358 16.518 1.00 69.06 ? 40 CYS B N 1 ATOM 1169 C CA . CYS B 2 44 ? -17.462 -24.513 15.880 1.00 71.01 ? 40 CYS B CA 1 ATOM 1170 C C . CYS B 2 44 ? -18.498 -25.581 15.515 1.00 70.87 ? 40 CYS B C 1 ATOM 1171 O O . CYS B 2 44 ? -19.355 -25.911 16.337 1.00 68.55 ? 40 CYS B O 1 ATOM 1172 C CB . CYS B 2 44 ? -16.397 -25.117 16.798 1.00 71.40 ? 40 CYS B CB 1 ATOM 1173 S SG . CYS B 2 44 ? -14.846 -24.210 16.804 1.00 71.78 ? 40 CYS B SG 1 ATOM 1174 N N . PRO B 2 45 ? -18.430 -26.123 14.281 1.00 73.19 ? 41 PRO B N 1 ATOM 1175 C CA . PRO B 2 45 ? -19.376 -27.183 13.908 1.00 72.41 ? 41 PRO B CA 1 ATOM 1176 C C . PRO B 2 45 ? -19.264 -28.419 14.797 1.00 72.28 ? 41 PRO B C 1 ATOM 1177 O O . PRO B 2 45 ? -18.249 -28.593 15.481 1.00 71.29 ? 41 PRO B O 1 ATOM 1178 C CB . PRO B 2 45 ? -18.972 -27.542 12.472 1.00 72.60 ? 41 PRO B CB 1 ATOM 1179 C CG . PRO B 2 45 ? -18.195 -26.391 11.976 1.00 73.07 ? 41 PRO B CG 1 ATOM 1180 C CD . PRO B 2 45 ? -17.529 -25.778 13.165 1.00 73.56 ? 41 PRO B CD 1 ATOM 1181 N N . PRO B 2 46 ? -20.299 -29.278 14.789 1.00 72.08 ? 42 PRO B N 1 ATOM 1182 C CA . PRO B 2 46 ? -20.216 -30.544 15.508 1.00 71.06 ? 42 PRO B CA 1 ATOM 1183 C C . PRO B 2 46 ? -18.948 -31.313 15.149 1.00 70.57 ? 42 PRO B C 1 ATOM 1184 O O . PRO B 2 46 ? -18.559 -31.357 13.978 1.00 69.81 ? 42 PRO B O 1 ATOM 1185 C CB . PRO B 2 46 ? -21.461 -31.297 15.034 1.00 70.74 ? 42 PRO B CB 1 ATOM 1186 C CG . PRO B 2 46 ? -22.428 -30.236 14.672 1.00 71.01 ? 42 PRO B CG 1 ATOM 1187 C CD . PRO B 2 46 ? -21.604 -29.110 14.122 1.00 71.79 ? 42 PRO B CD 1 ATOM 1188 N N . GLY B 2 47 ? -18.299 -31.883 16.158 1.00 70.77 ? 43 GLY B N 1 ATOM 1189 C CA . GLY B 2 47 ? -17.101 -32.687 15.945 1.00 71.01 ? 43 GLY B CA 1 ATOM 1190 C C . GLY B 2 47 ? -15.832 -31.887 15.716 1.00 71.55 ? 43 GLY B C 1 ATOM 1191 O O . GLY B 2 47 ? -14.805 -32.452 15.335 1.00 72.97 ? 43 GLY B O 1 ATOM 1192 N N . THR B 2 48 ? -15.896 -30.577 15.946 1.00 71.46 ? 44 THR B N 1 ATOM 1193 C CA . THR B 2 48 ? -14.708 -29.726 15.922 1.00 70.54 ? 44 THR B CA 1 ATOM 1194 C C . THR B 2 48 ? -14.626 -28.923 17.211 1.00 69.37 ? 44 THR B C 1 ATOM 1195 O O . THR B 2 48 ? -15.592 -28.852 17.970 1.00 69.00 ? 44 THR B O 1 ATOM 1196 C CB . THR B 2 48 ? -14.711 -28.755 14.727 1.00 70.87 ? 44 THR B CB 1 ATOM 1197 O OG1 . THR B 2 48 ? -15.803 -27.835 14.852 1.00 71.75 ? 44 THR B OG1 1 ATOM 1198 C CG2 . THR B 2 48 ? -14.833 -29.510 13.407 1.00 71.62 ? 44 THR B CG2 1 ATOM 1199 N N . TYR B 2 49 ? -13.465 -28.323 17.451 1.00 70.88 ? 45 TYR B N 1 ATOM 1200 C CA . TYR B 2 49 ? -13.234 -27.536 18.658 1.00 72.10 ? 45 TYR B CA 1 ATOM 1201 C C . TYR B 2 49 ? -12.082 -26.552 18.459 1.00 71.78 ? 45 TYR B C 1 ATOM 1202 O O . TYR B 2 49 ? -11.235 -26.756 17.595 1.00 73.02 ? 45 TYR B O 1 ATOM 1203 C CB . TYR B 2 49 ? -12.889 -28.466 19.826 1.00 73.98 ? 45 TYR B CB 1 ATOM 1204 C CG . TYR B 2 49 ? -11.419 -28.817 19.876 1.00 74.52 ? 45 TYR B CG 1 ATOM 1205 C CD1 . TYR B 2 49 ? -10.893 -29.817 19.064 1.00 74.55 ? 45 TYR B CD1 1 ATOM 1206 C CD2 . TYR B 2 49 ? -10.547 -28.119 20.707 1.00 75.25 ? 45 TYR B CD2 1 ATOM 1207 C CE1 . TYR B 2 49 ? -9.538 -30.126 19.094 1.00 73.87 ? 45 TYR B CE1 1 ATOM 1208 C CE2 . TYR B 2 49 ? -9.195 -28.418 20.740 1.00 74.58 ? 45 TYR B CE2 1 ATOM 1209 C CZ . TYR B 2 49 ? -8.700 -29.421 19.933 1.00 74.01 ? 45 TYR B CZ 1 ATOM 1210 O OH . TYR B 2 49 ? -7.364 -29.713 19.976 1.00 75.14 ? 45 TYR B OH 1 ATOM 1211 N N . ILE B 2 50 ? -12.058 -25.496 19.269 1.00 72.38 ? 46 ILE B N 1 ATOM 1212 C CA . ILE B 2 50 ? -10.852 -24.684 19.471 1.00 72.65 ? 46 ILE B CA 1 ATOM 1213 C C . ILE B 2 50 ? -10.752 -24.331 20.957 1.00 72.63 ? 46 ILE B C 1 ATOM 1214 O O . ILE B 2 50 ? -11.733 -23.908 21.568 1.00 72.43 ? 46 ILE B O 1 ATOM 1215 C CB . ILE B 2 50 ? -10.845 -23.384 18.638 1.00 73.36 ? 46 ILE B CB 1 ATOM 1216 C CG1 . ILE B 2 50 ? -11.347 -23.634 17.214 1.00 74.53 ? 46 ILE B CG1 1 ATOM 1217 C CG2 . ILE B 2 50 ? -9.440 -22.805 18.587 1.00 74.14 ? 46 ILE B CG2 1 ATOM 1218 C CD1 . ILE B 2 50 ? -11.324 -22.384 16.338 1.00 74.62 ? 46 ILE B CD1 1 ATOM 1219 N N . ALA B 2 51 ? -9.564 -24.493 21.530 1.00 74.46 ? 47 ALA B N 1 ATOM 1220 C CA . ALA B 2 51 ? -9.391 -24.426 22.984 1.00 74.59 ? 47 ALA B CA 1 ATOM 1221 C C . ALA B 2 51 ? -8.982 -23.054 23.517 1.00 74.77 ? 47 ALA B C 1 ATOM 1222 O O . ALA B 2 51 ? -9.100 -22.806 24.716 1.00 74.50 ? 47 ALA B O 1 ATOM 1223 C CB . ALA B 2 51 ? -8.381 -25.474 23.429 1.00 73.90 ? 47 ALA B CB 1 ATOM 1224 N N . HIS B 2 52 ? -8.500 -22.170 22.645 1.00 75.08 ? 48 HIS B N 1 ATOM 1225 C CA . HIS B 2 52 ? -7.980 -20.874 23.083 1.00 76.33 ? 48 HIS B CA 1 ATOM 1226 C C . HIS B 2 52 ? -8.512 -19.723 22.246 1.00 76.89 ? 48 HIS B C 1 ATOM 1227 O O . HIS B 2 52 ? -9.224 -19.929 21.265 1.00 78.42 ? 48 HIS B O 1 ATOM 1228 C CB . HIS B 2 52 ? -6.451 -20.877 23.014 1.00 77.73 ? 48 HIS B CB 1 ATOM 1229 C CG . HIS B 2 52 ? -5.806 -21.933 23.858 1.00 78.00 ? 48 HIS B CG 1 ATOM 1230 N ND1 . HIS B 2 52 ? -4.844 -22.789 23.370 1.00 77.83 ? 48 HIS B ND1 1 ATOM 1231 C CD2 . HIS B 2 52 ? -5.986 -22.270 25.157 1.00 78.86 ? 48 HIS B CD2 1 ATOM 1232 C CE1 . HIS B 2 52 ? -4.458 -23.609 24.331 1.00 79.08 ? 48 HIS B CE1 1 ATOM 1233 N NE2 . HIS B 2 52 ? -5.135 -23.313 25.427 1.00 79.83 ? 48 HIS B NE2 1 ATOM 1234 N N . LEU B 2 53 ? -8.170 -18.504 22.652 1.00 76.88 ? 49 LEU B N 1 ATOM 1235 C CA . LEU B 2 53 ? -8.389 -17.332 21.811 1.00 76.90 ? 49 LEU B CA 1 ATOM 1236 C C . LEU B 2 53 ? -7.698 -17.587 20.486 1.00 75.92 ? 49 LEU B C 1 ATOM 1237 O O . LEU B 2 53 ? -6.548 -18.013 20.461 1.00 77.59 ? 49 LEU B O 1 ATOM 1238 C CB . LEU B 2 53 ? -7.843 -16.054 22.462 1.00 77.73 ? 49 LEU B CB 1 ATOM 1239 C CG . LEU B 2 53 ? -8.888 -15.008 22.859 1.00 80.50 ? 49 LEU B CG 1 ATOM 1240 C CD1 . LEU B 2 53 ? -9.883 -15.566 23.869 1.00 81.62 ? 49 LEU B CD1 1 ATOM 1241 C CD2 . LEU B 2 53 ? -8.205 -13.745 23.393 1.00 80.23 ? 49 LEU B CD2 1 ATOM 1242 N N . ASN B 2 54 ? -8.403 -17.344 19.389 1.00 75.59 ? 50 ASN B N 1 ATOM 1243 C CA . ASN B 2 54 ? -7.921 -17.765 18.081 1.00 75.29 ? 50 ASN B CA 1 ATOM 1244 C C . ASN B 2 54 ? -8.369 -16.869 16.951 1.00 74.26 ? 50 ASN B C 1 ATOM 1245 O O . ASN B 2 54 ? -9.428 -16.251 17.014 1.00 75.83 ? 50 ASN B O 1 ATOM 1246 C CB . ASN B 2 54 ? -8.417 -19.175 17.785 1.00 76.23 ? 50 ASN B CB 1 ATOM 1247 C CG . ASN B 2 54 ? -9.923 -19.240 17.661 1.00 76.89 ? 50 ASN B CG 1 ATOM 1248 O OD1 . ASN B 2 54 ? -10.463 -19.237 16.558 1.00 78.16 ? 50 ASN B OD1 1 ATOM 1249 N ND2 . ASN B 2 54 ? -10.611 -19.275 18.796 1.00 78.19 ? 50 ASN B ND2 1 ATOM 1250 N N . GLY B 2 55 ? -7.555 -16.828 15.906 1.00 73.67 ? 51 GLY B N 1 ATOM 1251 C CA . GLY B 2 55 ? -7.909 -16.159 14.668 1.00 73.94 ? 51 GLY B CA 1 ATOM 1252 C C . GLY B 2 55 ? -7.960 -17.194 13.571 1.00 73.65 ? 51 GLY B C 1 ATOM 1253 O O . GLY B 2 55 ? -7.389 -16.998 12.498 1.00 73.26 ? 51 GLY B O 1 ATOM 1254 N N . LEU B 2 56 ? -8.644 -18.300 13.848 1.00 72.57 ? 52 LEU B N 1 ATOM 1255 C CA . LEU B 2 56 ? -8.733 -19.403 12.904 1.00 73.47 ? 52 LEU B CA 1 ATOM 1256 C C . LEU B 2 56 ? -10.037 -19.329 12.125 1.00 71.63 ? 52 LEU B C 1 ATOM 1257 O O . LEU B 2 56 ? -11.093 -19.091 12.703 1.00 71.34 ? 52 LEU B O 1 ATOM 1258 C CB . LEU B 2 56 ? -8.637 -20.741 13.645 1.00 75.37 ? 52 LEU B CB 1 ATOM 1259 C CG . LEU B 2 56 ? -7.272 -21.075 14.261 1.00 75.88 ? 52 LEU B CG 1 ATOM 1260 C CD1 . LEU B 2 56 ? -7.365 -22.331 15.117 1.00 76.20 ? 52 LEU B CD1 1 ATOM 1261 C CD2 . LEU B 2 56 ? -6.213 -21.244 13.178 1.00 75.90 ? 52 LEU B CD2 1 ATOM 1262 N N . SER B 2 57 ? -9.958 -19.530 10.812 1.00 71.48 ? 53 SER B N 1 ATOM 1263 C CA . SER B 2 57 ? -11.153 -19.554 9.968 1.00 73.72 ? 53 SER B CA 1 ATOM 1264 C C . SER B 2 57 ? -11.715 -20.977 9.797 1.00 73.93 ? 53 SER B C 1 ATOM 1265 O O . SER B 2 57 ? -12.607 -21.205 8.981 1.00 74.91 ? 53 SER B O 1 ATOM 1266 C CB . SER B 2 57 ? -10.868 -18.896 8.609 1.00 73.47 ? 53 SER B CB 1 ATOM 1267 O OG . SER B 2 57 ? -9.781 -19.514 7.946 1.00 75.73 ? 53 SER B OG 1 ATOM 1268 N N . LYS B 2 58 ? -11.198 -21.923 10.579 1.00 75.52 ? 54 LYS B N 1 ATOM 1269 C CA . LYS B 2 58 ? -11.725 -23.289 10.614 1.00 75.46 ? 54 LYS B CA 1 ATOM 1270 C C . LYS B 2 58 ? -11.298 -23.975 11.913 1.00 74.78 ? 54 LYS B C 1 ATOM 1271 O O . LYS B 2 58 ? -10.154 -23.840 12.334 1.00 74.94 ? 54 LYS B O 1 ATOM 1272 C CB . LYS B 2 58 ? -11.242 -24.083 9.400 1.00 76.25 ? 54 LYS B CB 1 ATOM 1273 C CG . LYS B 2 58 ? -11.780 -25.504 9.332 1.00 77.37 ? 54 LYS B CG 1 ATOM 1274 C CD . LYS B 2 58 ? -11.854 -26.006 7.899 1.00 78.02 ? 54 LYS B CD 1 ATOM 1275 C CE . LYS B 2 58 ? -11.946 -27.522 7.840 1.00 77.95 ? 54 LYS B CE 1 ATOM 1276 N NZ . LYS B 2 58 ? -11.999 -28.017 6.440 1.00 77.49 ? 54 LYS B NZ 1 ATOM 1277 N N . CYS B 2 59 ? -12.222 -24.691 12.549 1.00 74.47 ? 55 CYS B N 1 ATOM 1278 C CA . CYS B 2 59 ? -11.959 -25.298 13.855 1.00 74.43 ? 55 CYS B CA 1 ATOM 1279 C C . CYS B 2 59 ? -11.149 -26.580 13.689 1.00 74.90 ? 55 CYS B C 1 ATOM 1280 O O . CYS B 2 59 ? -11.158 -27.181 12.614 1.00 75.02 ? 55 CYS B O 1 ATOM 1281 C CB . CYS B 2 59 ? -13.271 -25.592 14.579 1.00 74.14 ? 55 CYS B CB 1 ATOM 1282 S SG . CYS B 2 59 ? -14.331 -24.143 14.834 1.00 74.09 ? 55 CYS B SG 1 ATOM 1283 N N . LEU B 2 60 ? -10.444 -26.985 14.747 1.00 74.40 ? 56 LEU B N 1 ATOM 1284 C CA . LEU B 2 60 ? -9.640 -28.214 14.726 1.00 74.85 ? 56 LEU B CA 1 ATOM 1285 C C . LEU B 2 60 ? -10.505 -29.457 14.931 1.00 74.03 ? 56 LEU B C 1 ATOM 1286 O O . LEU B 2 60 ? -11.525 -29.397 15.616 1.00 72.10 ? 56 LEU B O 1 ATOM 1287 C CB . LEU B 2 60 ? -8.541 -28.178 15.793 1.00 74.62 ? 56 LEU B CB 1 ATOM 1288 C CG . LEU B 2 60 ? -7.421 -27.160 15.570 1.00 75.48 ? 56 LEU B CG 1 ATOM 1289 C CD1 . LEU B 2 60 ? -7.511 -26.040 16.589 1.00 77.01 ? 56 LEU B CD1 1 ATOM 1290 C CD2 . LEU B 2 60 ? -6.060 -27.817 15.655 1.00 75.92 ? 56 LEU B CD2 1 ATOM 1291 N N . GLN B 2 61 ? -10.086 -30.580 14.346 1.00 74.64 ? 57 GLN B N 1 ATOM 1292 C CA . GLN B 2 61 ? -10.849 -31.834 14.453 1.00 76.47 ? 57 GLN B CA 1 ATOM 1293 C C . GLN B 2 61 ? -10.781 -32.447 15.856 1.00 76.10 ? 57 GLN B C 1 ATOM 1294 O O . GLN B 2 61 ? -9.733 -32.428 16.499 1.00 75.03 ? 57 GLN B O 1 ATOM 1295 C CB . GLN B 2 61 ? -10.375 -32.866 13.415 1.00 75.74 ? 57 GLN B CB 1 ATOM 1296 C CG . GLN B 2 61 ? -10.893 -32.618 12.002 1.00 76.54 ? 57 GLN B CG 1 ATOM 1297 C CD . GLN B 2 61 ? -12.413 -32.645 11.916 1.00 78.14 ? 57 GLN B CD 1 ATOM 1298 O OE1 . GLN B 2 61 ? -13.065 -33.510 12.498 1.00 80.36 ? 57 GLN B OE1 1 ATOM 1299 N NE2 . GLN B 2 61 ? -12.982 -31.690 11.192 1.00 79.18 ? 57 GLN B NE2 1 ATOM 1300 N N . CYS B 2 62 ? -11.908 -32.981 16.320 1.00 76.41 ? 58 CYS B N 1 ATOM 1301 C CA . CYS B 2 62 ? -11.958 -33.674 17.604 1.00 77.61 ? 58 CYS B CA 1 ATOM 1302 C C . CYS B 2 62 ? -11.153 -34.973 17.531 1.00 77.03 ? 58 CYS B C 1 ATOM 1303 O O . CYS B 2 62 ? -11.240 -35.709 16.549 1.00 75.18 ? 58 CYS B O 1 ATOM 1304 C CB . CYS B 2 62 ? -13.406 -34.008 17.998 1.00 79.98 ? 58 CYS B CB 1 ATOM 1305 S SG . CYS B 2 62 ? -14.460 -32.615 18.517 1.00 82.64 ? 58 CYS B SG 1 ATOM 1306 N N . GLN B 2 63 ? -10.370 -35.243 18.570 1.00 76.48 ? 59 GLN B N 1 ATOM 1307 C CA . GLN B 2 63 ? -9.721 -36.537 18.728 1.00 76.45 ? 59 GLN B CA 1 ATOM 1308 C C . GLN B 2 63 ? -10.795 -37.610 18.827 1.00 76.15 ? 59 GLN B C 1 ATOM 1309 O O . GLN B 2 63 ? -11.866 -37.371 19.387 1.00 75.40 ? 59 GLN B O 1 ATOM 1310 C CB . GLN B 2 63 ? -8.855 -36.551 19.994 1.00 76.96 ? 59 GLN B CB 1 ATOM 1311 C CG . GLN B 2 63 ? -8.019 -37.811 20.207 1.00 77.62 ? 59 GLN B CG 1 ATOM 1312 C CD . GLN B 2 63 ? -6.869 -37.922 19.227 1.00 78.24 ? 59 GLN B CD 1 ATOM 1313 O OE1 . GLN B 2 63 ? -7.072 -38.200 18.050 1.00 79.42 ? 59 GLN B OE1 1 ATOM 1314 N NE2 . GLN B 2 63 ? -5.653 -37.708 19.711 1.00 79.00 ? 59 GLN B NE2 1 ATOM 1315 N N . MET B 2 64 ? -10.513 -38.786 18.273 1.00 78.13 ? 60 MET B N 1 ATOM 1316 C CA . MET B 2 64 ? -11.444 -39.904 18.339 1.00 77.78 ? 60 MET B CA 1 ATOM 1317 C C . MET B 2 64 ? -10.887 -40.923 19.317 1.00 76.14 ? 60 MET B C 1 ATOM 1318 O O . MET B 2 64 ? -9.669 -41.066 19.432 1.00 75.33 ? 60 MET B O 1 ATOM 1319 C CB . MET B 2 64 ? -11.628 -40.537 16.954 1.00 82.57 ? 60 MET B CB 1 ATOM 1320 C CG . MET B 2 64 ? -13.083 -40.670 16.539 1.00 85.00 ? 60 MET B CG 1 ATOM 1321 S SD . MET B 2 64 ? -13.766 -39.053 16.114 1.00 88.89 ? 60 MET B SD 1 ATOM 1322 C CE . MET B 2 64 ? -15.525 -39.318 16.366 1.00 87.24 ? 60 MET B CE 1 ATOM 1323 N N . CYS B 2 65 ? -11.776 -41.610 20.033 1.00 74.81 ? 61 CYS B N 1 ATOM 1324 C CA . CYS B 2 65 ? -11.387 -42.724 20.905 1.00 74.14 ? 61 CYS B CA 1 ATOM 1325 C C . CYS B 2 65 ? -12.079 -44.007 20.448 1.00 72.05 ? 61 CYS B C 1 ATOM 1326 O O . CYS B 2 65 ? -13.170 -44.337 20.916 1.00 70.50 ? 61 CYS B O 1 ATOM 1327 C CB . CYS B 2 65 ? -11.737 -42.422 22.365 1.00 74.50 ? 61 CYS B CB 1 ATOM 1328 S SG . CYS B 2 65 ? -11.095 -40.851 22.990 1.00 74.78 ? 61 CYS B SG 1 ATOM 1329 N N . ASP B 2 66 ? -11.436 -44.719 19.524 1.00 71.81 ? 62 ASP B N 1 ATOM 1330 C CA . ASP B 2 66 ? -11.982 -45.962 18.969 1.00 71.41 ? 62 ASP B CA 1 ATOM 1331 C C . ASP B 2 66 ? -12.017 -47.074 20.027 1.00 70.56 ? 62 ASP B C 1 ATOM 1332 O O . ASP B 2 66 ? -10.966 -47.478 20.529 1.00 68.73 ? 62 ASP B O 1 ATOM 1333 C CB . ASP B 2 66 ? -11.144 -46.408 17.765 1.00 70.03 ? 62 ASP B CB 1 ATOM 1334 C CG . ASP B 2 66 ? -11.747 -47.592 17.021 1.00 70.40 ? 62 ASP B CG 1 ATOM 1335 O OD1 . ASP B 2 66 ? -12.746 -48.181 17.482 1.00 69.16 ? 62 ASP B OD1 1 ATOM 1336 O OD2 . ASP B 2 66 ? -11.204 -47.942 15.953 1.00 72.19 ? 62 ASP B OD2 1 ATOM 1337 N N . PRO B 2 67 ? -13.226 -47.570 20.371 1.00 71.32 ? 63 PRO B N 1 ATOM 1338 C CA . PRO B 2 67 ? -13.351 -48.683 21.320 1.00 70.66 ? 63 PRO B CA 1 ATOM 1339 C C . PRO B 2 67 ? -12.650 -49.965 20.864 1.00 69.79 ? 63 PRO B C 1 ATOM 1340 O O . PRO B 2 67 ? -12.224 -50.761 21.704 1.00 69.01 ? 63 PRO B O 1 ATOM 1341 C CB . PRO B 2 67 ? -14.867 -48.911 21.406 1.00 71.32 ? 63 PRO B CB 1 ATOM 1342 C CG . PRO B 2 67 ? -15.478 -47.643 20.941 1.00 71.97 ? 63 PRO B CG 1 ATOM 1343 C CD . PRO B 2 67 ? -14.550 -47.116 19.901 1.00 71.94 ? 63 PRO B CD 1 ATOM 1344 N N . ALA B 2 68 ? -12.527 -50.152 19.549 1.00 68.84 ? 64 ALA B N 1 ATOM 1345 C CA . ALA B 2 68 ? -11.822 -51.303 18.979 1.00 68.71 ? 64 ALA B CA 1 ATOM 1346 C C . ALA B 2 68 ? -10.333 -51.325 19.342 1.00 67.55 ? 64 ALA B C 1 ATOM 1347 O O . ALA B 2 68 ? -9.666 -52.347 19.180 1.00 67.48 ? 64 ALA B O 1 ATOM 1348 C CB . ALA B 2 68 ? -11.992 -51.327 17.466 1.00 69.33 ? 64 ALA B CB 1 ATOM 1349 N N . MET B 2 69 ? -9.822 -50.193 19.818 1.00 66.36 ? 65 MET B N 1 ATOM 1350 C CA . MET B 2 69 ? -8.460 -50.097 20.322 1.00 66.74 ? 65 MET B CA 1 ATOM 1351 C C . MET B 2 69 ? -8.457 -50.019 21.852 1.00 64.81 ? 65 MET B C 1 ATOM 1352 O O . MET B 2 69 ? -7.503 -49.526 22.453 1.00 63.28 ? 65 MET B O 1 ATOM 1353 C CB . MET B 2 69 ? -7.773 -48.867 19.712 1.00 66.89 ? 65 MET B CB 1 ATOM 1354 C CG . MET B 2 69 ? -7.939 -48.768 18.193 1.00 67.18 ? 65 MET B CG 1 ATOM 1355 S SD . MET B 2 69 ? -6.391 -48.567 17.299 1.00 69.06 ? 65 MET B SD 1 ATOM 1356 C CE . MET B 2 69 ? -5.538 -50.093 17.721 1.00 70.42 ? 65 MET B CE 1 ATOM 1357 N N . GLY B 2 70 ? -9.527 -50.511 22.474 1.00 65.52 ? 66 GLY B N 1 ATOM 1358 C CA . GLY B 2 70 ? -9.647 -50.536 23.929 1.00 68.54 ? 66 GLY B CA 1 ATOM 1359 C C . GLY B 2 70 ? -9.636 -49.167 24.582 1.00 70.64 ? 66 GLY B C 1 ATOM 1360 O O . GLY B 2 70 ? -9.138 -49.014 25.697 1.00 71.69 ? 66 GLY B O 1 ATOM 1361 N N . LEU B 2 71 ? -10.195 -48.172 23.896 1.00 72.21 ? 67 LEU B N 1 ATOM 1362 C CA . LEU B 2 71 ? -10.182 -46.795 24.382 1.00 73.95 ? 67 LEU B CA 1 ATOM 1363 C C . LEU B 2 71 ? -11.572 -46.327 24.798 1.00 76.44 ? 67 LEU B C 1 ATOM 1364 O O . LEU B 2 71 ? -12.553 -46.522 24.075 1.00 76.86 ? 67 LEU B O 1 ATOM 1365 C CB . LEU B 2 71 ? -9.628 -45.849 23.311 1.00 73.29 ? 67 LEU B CB 1 ATOM 1366 C CG . LEU B 2 71 ? -8.142 -45.959 22.962 1.00 72.68 ? 67 LEU B CG 1 ATOM 1367 C CD1 . LEU B 2 71 ? -7.838 -45.127 21.726 1.00 73.00 ? 67 LEU B CD1 1 ATOM 1368 C CD2 . LEU B 2 71 ? -7.261 -45.524 24.126 1.00 72.00 ? 67 LEU B CD2 1 ATOM 1369 N N . ARG B 2 72 ? -11.637 -45.716 25.976 1.00 79.10 ? 68 ARG B N 1 ATOM 1370 C CA . ARG B 2 72 ? -12.816 -44.995 26.416 1.00 79.84 ? 68 ARG B CA 1 ATOM 1371 C C . ARG B 2 72 ? -12.447 -43.520 26.497 1.00 79.34 ? 68 ARG B C 1 ATOM 1372 O O . ARG B 2 72 ? -11.304 -43.174 26.796 1.00 79.21 ? 68 ARG B O 1 ATOM 1373 C CB . ARG B 2 72 ? -13.282 -45.512 27.780 1.00 82.63 ? 68 ARG B CB 1 ATOM 1374 C CG . ARG B 2 72 ? -14.527 -44.813 28.313 1.00 83.00 ? 68 ARG B CG 1 ATOM 1375 C CD . ARG B 2 72 ? -15.487 -45.782 28.995 1.00 85.35 ? 68 ARG B CD 1 ATOM 1376 N NE . ARG B 2 72 ? -16.827 -45.205 29.147 1.00 86.48 ? 68 ARG B NE 1 ATOM 1377 C CZ . ARG B 2 72 ? -17.921 -45.887 29.495 1.00 88.26 ? 68 ARG B CZ 1 ATOM 1378 N NH1 . ARG B 2 72 ? -17.867 -47.196 29.740 1.00 88.56 ? 68 ARG B NH1 1 ATOM 1379 N NH2 . ARG B 2 72 ? -19.086 -45.252 29.598 1.00 88.26 ? 68 ARG B NH2 1 ATOM 1380 N N . ALA B 2 73 ? -13.409 -42.652 26.210 1.00 78.94 ? 69 ALA B N 1 ATOM 1381 C CA . ALA B 2 73 ? -13.198 -41.216 26.357 1.00 78.85 ? 69 ALA B CA 1 ATOM 1382 C C . ALA B 2 73 ? -13.244 -40.828 27.838 1.00 77.50 ? 69 ALA B C 1 ATOM 1383 O O . ALA B 2 73 ? -14.287 -40.934 28.481 1.00 75.47 ? 69 ALA B O 1 ATOM 1384 C CB . ALA B 2 73 ? -14.241 -40.444 25.567 1.00 78.18 ? 69 ALA B CB 1 ATOM 1385 N N . SER B 2 74 ? -12.101 -40.403 28.374 1.00 78.47 ? 70 SER B N 1 ATOM 1386 C CA . SER B 2 74 ? -12.032 -39.878 29.736 1.00 80.25 ? 70 SER B CA 1 ATOM 1387 C C . SER B 2 74 ? -12.682 -38.497 29.795 1.00 81.70 ? 70 SER B C 1 ATOM 1388 O O . SER B 2 74 ? -13.108 -38.049 30.860 1.00 80.89 ? 70 SER B O 1 ATOM 1389 C CB . SER B 2 74 ? -10.581 -39.796 30.217 1.00 79.66 ? 70 SER B CB 1 ATOM 1390 O OG . SER B 2 74 ? -9.879 -38.755 29.560 1.00 80.10 ? 70 SER B OG 1 ATOM 1391 N N . ARG B 2 75 ? -12.737 -37.824 28.646 1.00 84.33 ? 71 ARG B N 1 ATOM 1392 C CA . ARG B 2 75 ? -13.467 -36.570 28.512 1.00 84.78 ? 71 ARG B CA 1 ATOM 1393 C C . ARG B 2 75 ? -13.956 -36.358 27.081 1.00 84.22 ? 71 ARG B C 1 ATOM 1394 O O . ARG B 2 75 ? -13.206 -36.545 26.128 1.00 84.13 ? 71 ARG B O 1 ATOM 1395 C CB . ARG B 2 75 ? -12.586 -35.401 28.925 1.00 86.43 ? 71 ARG B CB 1 ATOM 1396 C CG . ARG B 2 75 ? -13.363 -34.116 29.111 1.00 88.10 ? 71 ARG B CG 1 ATOM 1397 C CD . ARG B 2 75 ? -12.533 -33.058 29.793 1.00 89.55 ? 71 ARG B CD 1 ATOM 1398 N NE . ARG B 2 75 ? -11.312 -32.754 29.053 1.00 90.42 ? 71 ARG B NE 1 ATOM 1399 C CZ . ARG B 2 75 ? -10.421 -31.839 29.425 1.00 91.43 ? 71 ARG B CZ 1 ATOM 1400 N NH1 . ARG B 2 75 ? -10.603 -31.120 30.534 1.00 91.87 ? 71 ARG B NH1 1 ATOM 1401 N NH2 . ARG B 2 75 ? -9.341 -31.638 28.684 1.00 91.16 ? 71 ARG B NH2 1 ATOM 1402 N N . ASN B 2 76 ? -15.213 -35.956 26.942 1.00 84.64 ? 72 ASN B N 1 ATOM 1403 C CA . ASN B 2 76 ? -15.815 -35.746 25.633 1.00 84.42 ? 72 ASN B CA 1 ATOM 1404 C C . ASN B 2 76 ? -15.310 -34.496 24.951 1.00 83.54 ? 72 ASN B C 1 ATOM 1405 O O . ASN B 2 76 ? -14.812 -33.583 25.604 1.00 83.87 ? 72 ASN B O 1 ATOM 1406 C CB . ASN B 2 76 ? -17.330 -35.650 25.765 1.00 86.63 ? 72 ASN B CB 1 ATOM 1407 C CG . ASN B 2 76 ? -17.956 -36.976 26.032 1.00 89.26 ? 72 ASN B CG 1 ATOM 1408 O OD1 . ASN B 2 76 ? -17.919 -37.861 25.179 1.00 89.81 ? 72 ASN B OD1 1 ATOM 1409 N ND2 . ASN B 2 76 ? -18.525 -37.140 27.226 1.00 93.86 ? 72 ASN B ND2 1 ATOM 1410 N N . CYS B 2 77 ? -15.457 -34.464 23.629 1.00 83.13 ? 73 CYS B N 1 ATOM 1411 C CA . CYS B 2 77 ? -15.170 -33.267 22.853 1.00 81.79 ? 73 CYS B CA 1 ATOM 1412 C C . CYS B 2 77 ? -16.327 -32.294 23.014 1.00 80.01 ? 73 CYS B C 1 ATOM 1413 O O . CYS B 2 77 ? -17.486 -32.675 22.856 1.00 78.83 ? 73 CYS B O 1 ATOM 1414 C CB . CYS B 2 77 ? -14.982 -33.598 21.368 1.00 82.18 ? 73 CYS B CB 1 ATOM 1415 S SG . CYS B 2 77 ? -14.014 -32.356 20.486 1.00 83.88 ? 73 CYS B SG 1 ATOM 1416 N N . SER B 2 78 ? -16.007 -31.053 23.366 1.00 79.65 ? 74 SER B N 1 ATOM 1417 C CA . SER B 2 78 ? -16.955 -29.945 23.285 1.00 79.32 ? 74 SER B CA 1 ATOM 1418 C C . SER B 2 78 ? -16.339 -28.888 22.381 1.00 78.61 ? 74 SER B C 1 ATOM 1419 O O . SER B 2 78 ? -15.200 -29.029 21.941 1.00 76.93 ? 74 SER B O 1 ATOM 1420 C CB . SER B 2 78 ? -17.253 -29.368 24.670 1.00 77.68 ? 74 SER B CB 1 ATOM 1421 O OG . SER B 2 78 ? -16.102 -28.768 25.236 1.00 78.42 ? 74 SER B OG 1 ATOM 1422 N N . ARG B 2 79 ? -17.082 -27.825 22.105 1.00 79.76 ? 75 ARG B N 1 ATOM 1423 C CA . ARG B 2 79 ? -16.561 -26.757 21.256 1.00 80.23 ? 75 ARG B CA 1 ATOM 1424 C C . ARG B 2 79 ? -15.316 -26.110 21.860 1.00 78.80 ? 75 ARG B C 1 ATOM 1425 O O . ARG B 2 79 ? -14.449 -25.648 21.125 1.00 79.82 ? 75 ARG B O 1 ATOM 1426 C CB . ARG B 2 79 ? -17.623 -25.692 21.007 1.00 80.94 ? 75 ARG B CB 1 ATOM 1427 C CG . ARG B 2 79 ? -18.818 -26.174 20.206 1.00 82.67 ? 75 ARG B CG 1 ATOM 1428 C CD . ARG B 2 79 ? -19.861 -25.066 20.070 1.00 85.19 ? 75 ARG B CD 1 ATOM 1429 N NE . ARG B 2 79 ? -21.219 -25.569 20.276 1.00 87.49 ? 75 ARG B NE 1 ATOM 1430 C CZ . ARG B 2 79 ? -22.287 -24.809 20.511 1.00 88.21 ? 75 ARG B CZ 1 ATOM 1431 N NH1 . ARG B 2 79 ? -22.189 -23.482 20.566 1.00 89.26 ? 75 ARG B NH1 1 ATOM 1432 N NH2 . ARG B 2 79 ? -23.470 -25.385 20.690 1.00 88.21 ? 75 ARG B NH2 1 ATOM 1433 N N . THR B 2 80 ? -15.229 -26.087 23.191 1.00 77.85 ? 76 THR B N 1 ATOM 1434 C CA . THR B 2 80 ? -14.123 -25.432 23.894 1.00 77.80 ? 76 THR B CA 1 ATOM 1435 C C . THR B 2 80 ? -13.028 -26.386 24.365 1.00 79.27 ? 76 THR B C 1 ATOM 1436 O O . THR B 2 80 ? -11.963 -25.936 24.786 1.00 81.07 ? 76 THR B O 1 ATOM 1437 C CB . THR B 2 80 ? -14.630 -24.670 25.130 1.00 76.24 ? 76 THR B CB 1 ATOM 1438 O OG1 . THR B 2 80 ? -15.272 -25.586 26.027 1.00 74.97 ? 76 THR B OG1 1 ATOM 1439 C CG2 . THR B 2 80 ? -15.607 -23.574 24.719 1.00 74.34 ? 76 THR B CG2 1 ATOM 1440 N N . GLU B 2 81 ? -13.284 -27.692 24.307 1.00 79.59 ? 77 GLU B N 1 ATOM 1441 C CA . GLU B 2 81 ? -12.317 -28.681 24.776 1.00 78.36 ? 77 GLU B CA 1 ATOM 1442 C C . GLU B 2 81 ? -12.201 -29.871 23.842 1.00 77.83 ? 77 GLU B C 1 ATOM 1443 O O . GLU B 2 81 ? -13.202 -30.381 23.342 1.00 78.19 ? 77 GLU B O 1 ATOM 1444 C CB . GLU B 2 81 ? -12.717 -29.193 26.154 1.00 80.48 ? 77 GLU B CB 1 ATOM 1445 C CG . GLU B 2 81 ? -12.547 -28.187 27.273 1.00 81.86 ? 77 GLU B CG 1 ATOM 1446 C CD . GLU B 2 81 ? -12.715 -28.826 28.636 1.00 82.11 ? 77 GLU B CD 1 ATOM 1447 O OE1 . GLU B 2 81 ? -13.698 -29.578 28.824 1.00 82.20 ? 77 GLU B OE1 1 ATOM 1448 O OE2 . GLU B 2 81 ? -11.859 -28.585 29.514 1.00 84.54 ? 77 GLU B OE2 1 ATOM 1449 N N . ASN B 2 82 ? -10.965 -30.321 23.641 1.00 76.76 ? 78 ASN B N 1 ATOM 1450 C CA . ASN B 2 82 ? -10.679 -31.542 22.900 1.00 76.08 ? 78 ASN B CA 1 ATOM 1451 C C . ASN B 2 82 ? -11.093 -32.766 23.711 1.00 75.19 ? 78 ASN B C 1 ATOM 1452 O O . ASN B 2 82 ? -11.163 -32.711 24.939 1.00 73.60 ? 78 ASN B O 1 ATOM 1453 C CB . ASN B 2 82 ? -9.176 -31.619 22.603 1.00 76.52 ? 78 ASN B CB 1 ATOM 1454 C CG . ASN B 2 82 ? -8.838 -32.535 21.435 1.00 75.08 ? 78 ASN B CG 1 ATOM 1455 O OD1 . ASN B 2 82 ? -9.635 -33.380 21.022 1.00 73.15 ? 78 ASN B OD1 1 ATOM 1456 N ND2 . ASN B 2 82 ? -7.636 -32.364 20.898 1.00 73.69 ? 78 ASN B ND2 1 ATOM 1457 N N . ALA B 2 83 ? -11.362 -33.867 23.016 1.00 76.48 ? 79 ALA B N 1 ATOM 1458 C CA . ALA B 2 83 ? -11.601 -35.155 23.665 1.00 75.74 ? 79 ALA B CA 1 ATOM 1459 C C . ALA B 2 83 ? -10.264 -35.770 24.062 1.00 74.93 ? 79 ALA B C 1 ATOM 1460 O O . ALA B 2 83 ? -9.299 -35.690 23.304 1.00 75.91 ? 79 ALA B O 1 ATOM 1461 C CB . ALA B 2 83 ? -12.359 -36.092 22.733 1.00 75.17 ? 79 ALA B CB 1 ATOM 1462 N N . VAL B 2 84 ? -10.212 -36.376 25.247 1.00 73.94 ? 80 VAL B N 1 ATOM 1463 C CA . VAL B 2 84 ? -8.993 -37.018 25.747 1.00 75.12 ? 80 VAL B CA 1 ATOM 1464 C C . VAL B 2 84 ? -9.239 -38.505 25.960 1.00 74.43 ? 80 VAL B C 1 ATOM 1465 O O . VAL B 2 84 ? -10.073 -38.883 26.784 1.00 75.10 ? 80 VAL B O 1 ATOM 1466 C CB . VAL B 2 84 ? -8.526 -36.387 27.078 1.00 75.89 ? 80 VAL B CB 1 ATOM 1467 C CG1 . VAL B 2 84 ? -7.351 -37.167 27.681 1.00 75.59 ? 80 VAL B CG1 1 ATOM 1468 C CG2 . VAL B 2 84 ? -8.156 -34.920 26.865 1.00 75.94 ? 80 VAL B CG2 1 ATOM 1469 N N . CYS B 2 85 ? -8.503 -39.341 25.230 1.00 73.54 ? 81 CYS B N 1 ATOM 1470 C CA . CYS B 2 85 ? -8.695 -40.790 25.297 1.00 73.96 ? 81 CYS B CA 1 ATOM 1471 C C . CYS B 2 85 ? -7.912 -41.407 26.453 1.00 74.51 ? 81 CYS B C 1 ATOM 1472 O O . CYS B 2 85 ? -6.734 -41.101 26.653 1.00 75.69 ? 81 CYS B O 1 ATOM 1473 C CB . CYS B 2 85 ? -8.273 -41.458 23.984 1.00 73.74 ? 81 CYS B CB 1 ATOM 1474 S SG . CYS B 2 85 ? -9.120 -40.849 22.495 1.00 74.07 ? 81 CYS B SG 1 ATOM 1475 N N . GLY B 2 86 ? -8.584 -42.266 27.214 1.00 73.70 ? 82 GLY B N 1 ATOM 1476 C CA . GLY B 2 86 ? -7.937 -43.105 28.219 1.00 73.09 ? 82 GLY B CA 1 ATOM 1477 C C . GLY B 2 86 ? -8.309 -44.555 27.981 1.00 72.23 ? 82 GLY B C 1 ATOM 1478 O O . GLY B 2 86 ? -9.034 -44.864 27.036 1.00 70.77 ? 82 GLY B O 1 ATOM 1479 N N . CYS B 2 87 ? -7.823 -45.449 28.835 1.00 73.44 ? 83 CYS B N 1 ATOM 1480 C CA . CYS B 2 87 ? -8.106 -46.875 28.674 1.00 74.60 ? 83 CYS B CA 1 ATOM 1481 C C . CYS B 2 87 ? -9.452 -47.256 29.285 1.00 75.23 ? 83 CYS B C 1 ATOM 1482 O O . CYS B 2 87 ? -9.883 -46.670 30.277 1.00 76.41 ? 83 CYS B O 1 ATOM 1483 C CB . CYS B 2 87 ? -6.988 -47.728 29.280 1.00 74.97 ? 83 CYS B CB 1 ATOM 1484 S SG . CYS B 2 87 ? -5.445 -47.762 28.314 1.00 76.69 ? 83 CYS B SG 1 ATOM 1485 N N . SER B 2 88 ? -10.101 -48.248 28.678 1.00 75.86 ? 84 SER B N 1 ATOM 1486 C CA . SER B 2 88 ? -11.394 -48.757 29.140 1.00 77.00 ? 84 SER B CA 1 ATOM 1487 C C . SER B 2 88 ? -11.225 -49.626 30.398 1.00 77.84 ? 84 SER B C 1 ATOM 1488 O O . SER B 2 88 ? -10.104 -50.012 30.736 1.00 77.14 ? 84 SER B O 1 ATOM 1489 C CB . SER B 2 88 ? -12.053 -49.576 28.021 1.00 77.57 ? 84 SER B CB 1 ATOM 1490 O OG . SER B 2 88 ? -11.917 -48.933 26.768 1.00 77.73 ? 84 SER B OG 1 ATOM 1491 N N . PRO B 2 89 ? -12.336 -49.930 31.102 1.00 78.53 ? 85 PRO B N 1 ATOM 1492 C CA . PRO B 2 89 ? -12.275 -50.795 32.285 1.00 77.72 ? 85 PRO B CA 1 ATOM 1493 C C . PRO B 2 89 ? -11.454 -52.062 32.064 1.00 78.94 ? 85 PRO B C 1 ATOM 1494 O O . PRO B 2 89 ? -11.745 -52.829 31.144 1.00 81.18 ? 85 PRO B O 1 ATOM 1495 C CB . PRO B 2 89 ? -13.744 -51.151 32.528 1.00 77.87 ? 85 PRO B CB 1 ATOM 1496 C CG . PRO B 2 89 ? -14.492 -49.978 32.023 1.00 78.62 ? 85 PRO B CG 1 ATOM 1497 C CD . PRO B 2 89 ? -13.712 -49.460 30.845 1.00 78.90 ? 85 PRO B CD 1 ATOM 1498 N N . GLY B 2 90 ? -10.432 -52.265 32.894 1.00 78.35 ? 86 GLY B N 1 ATOM 1499 C CA . GLY B 2 90 ? -9.561 -53.442 32.791 1.00 76.35 ? 86 GLY B CA 1 ATOM 1500 C C . GLY B 2 90 ? -8.687 -53.454 31.546 1.00 75.84 ? 86 GLY B C 1 ATOM 1501 O O . GLY B 2 90 ? -8.604 -54.469 30.851 1.00 76.30 ? 86 GLY B O 1 ATOM 1502 N N . HIS B 2 91 ? -8.044 -52.322 31.258 1.00 74.76 ? 87 HIS B N 1 ATOM 1503 C CA . HIS B 2 91 ? -7.134 -52.197 30.115 1.00 73.69 ? 87 HIS B CA 1 ATOM 1504 C C . HIS B 2 91 ? -5.934 -51.327 30.478 1.00 73.02 ? 87 HIS B C 1 ATOM 1505 O O . HIS B 2 91 ? -6.052 -50.427 31.309 1.00 73.42 ? 87 HIS B O 1 ATOM 1506 C CB . HIS B 2 91 ? -7.857 -51.589 28.911 1.00 73.33 ? 87 HIS B CB 1 ATOM 1507 C CG . HIS B 2 91 ? -8.789 -52.535 28.221 1.00 73.73 ? 87 HIS B CG 1 ATOM 1508 N ND1 . HIS B 2 91 ? -10.029 -52.862 28.727 1.00 73.54 ? 87 HIS B ND1 1 ATOM 1509 C CD2 . HIS B 2 91 ? -8.664 -53.218 27.058 1.00 74.10 ? 87 HIS B CD2 1 ATOM 1510 C CE1 . HIS B 2 91 ? -10.625 -53.711 27.909 1.00 73.97 ? 87 HIS B CE1 1 ATOM 1511 N NE2 . HIS B 2 91 ? -9.818 -53.943 26.888 1.00 73.96 ? 87 HIS B NE2 1 ATOM 1512 N N . PHE B 2 92 ? -4.789 -51.594 29.849 1.00 72.24 ? 88 PHE B N 1 ATOM 1513 C CA . PHE B 2 92 ? -3.563 -50.824 30.097 1.00 71.91 ? 88 PHE B CA 1 ATOM 1514 C C . PHE B 2 92 ? -2.911 -50.339 28.793 1.00 71.80 ? 88 PHE B C 1 ATOM 1515 O O . PHE B 2 92 ? -2.964 -51.023 27.767 1.00 71.08 ? 88 PHE B O 1 ATOM 1516 C CB . PHE B 2 92 ? -2.573 -51.642 30.940 1.00 70.27 ? 88 PHE B CB 1 ATOM 1517 C CG . PHE B 2 92 ? -2.015 -52.850 30.238 1.00 70.39 ? 88 PHE B CG 1 ATOM 1518 C CD1 . PHE B 2 92 ? -2.714 -54.052 30.227 1.00 70.64 ? 88 PHE B CD1 1 ATOM 1519 C CD2 . PHE B 2 92 ? -0.779 -52.793 29.601 1.00 70.57 ? 88 PHE B CD2 1 ATOM 1520 C CE1 . PHE B 2 92 ? -2.196 -55.173 29.583 1.00 69.82 ? 88 PHE B CE1 1 ATOM 1521 C CE2 . PHE B 2 92 ? -0.256 -53.911 28.955 1.00 70.08 ? 88 PHE B CE2 1 ATOM 1522 C CZ . PHE B 2 92 ? -0.967 -55.099 28.946 1.00 69.71 ? 88 PHE B CZ 1 ATOM 1523 N N . CYS B 2 93 ? -2.283 -49.165 28.857 1.00 71.60 ? 89 CYS B N 1 ATOM 1524 C CA . CYS B 2 93 ? -1.756 -48.489 27.669 1.00 71.40 ? 89 CYS B CA 1 ATOM 1525 C C . CYS B 2 93 ? -0.544 -49.197 27.071 1.00 71.02 ? 89 CYS B C 1 ATOM 1526 O O . CYS B 2 93 ? 0.328 -49.671 27.798 1.00 71.64 ? 89 CYS B O 1 ATOM 1527 C CB . CYS B 2 93 ? -1.376 -47.045 28.004 1.00 72.86 ? 89 CYS B CB 1 ATOM 1528 S SG . CYS B 2 93 ? -1.185 -45.973 26.557 1.00 74.53 ? 89 CYS B SG 1 ATOM 1529 N N . ILE B 2 94 ? -0.502 -49.258 25.743 1.00 70.51 ? 90 ILE B N 1 ATOM 1530 C CA . ILE B 2 94 ? 0.622 -49.863 25.024 1.00 71.50 ? 90 ILE B CA 1 ATOM 1531 C C . ILE B 2 94 ? 1.168 -48.992 23.881 1.00 72.29 ? 90 ILE B C 1 ATOM 1532 O O . ILE B 2 94 ? 2.083 -49.421 23.174 1.00 73.56 ? 90 ILE B O 1 ATOM 1533 C CB . ILE B 2 94 ? 0.253 -51.271 24.467 1.00 70.35 ? 90 ILE B CB 1 ATOM 1534 C CG1 . ILE B 2 94 ? -1.072 -51.220 23.696 1.00 70.22 ? 90 ILE B CG1 1 ATOM 1535 C CG2 . ILE B 2 94 ? 0.168 -52.292 25.600 1.00 69.48 ? 90 ILE B CG2 1 ATOM 1536 C CD1 . ILE B 2 94 ? -1.351 -52.456 22.870 1.00 69.86 ? 90 ILE B CD1 1 ATOM 1537 N N . VAL B 2 95 ? 0.627 -47.785 23.702 1.00 72.14 ? 91 VAL B N 1 ATOM 1538 C CA . VAL B 2 95 ? 1.098 -46.862 22.664 1.00 75.16 ? 91 VAL B CA 1 ATOM 1539 C C . VAL B 2 95 ? 0.974 -45.400 23.114 1.00 78.12 ? 91 VAL B C 1 ATOM 1540 O O . VAL B 2 95 ? -0.132 -44.909 23.360 1.00 78.29 ? 91 VAL B O 1 ATOM 1541 C CB . VAL B 2 95 ? 0.306 -47.030 21.342 1.00 75.44 ? 91 VAL B CB 1 ATOM 1542 C CG1 . VAL B 2 95 ? 0.799 -46.033 20.281 1.00 74.99 ? 91 VAL B CG1 1 ATOM 1543 C CG2 . VAL B 2 95 ? 0.407 -48.461 20.819 1.00 74.89 ? 91 VAL B CG2 1 ATOM 1544 N N . GLN B 2 96 ? 2.111 -44.710 23.197 1.00 80.63 ? 92 GLN B N 1 ATOM 1545 C CA . GLN B 2 96 ? 2.154 -43.294 23.567 1.00 80.56 ? 92 GLN B CA 1 ATOM 1546 C C . GLN B 2 96 ? 2.142 -42.430 22.308 1.00 80.91 ? 92 GLN B C 1 ATOM 1547 O O . GLN B 2 96 ? 1.094 -41.956 21.875 1.00 81.32 ? 92 GLN B O 1 ATOM 1548 C CB . GLN B 2 96 ? 3.418 -42.989 24.378 1.00 83.34 ? 92 GLN B CB 1 ATOM 1549 C CG . GLN B 2 96 ? 3.665 -43.914 25.581 1.00 84.49 ? 92 GLN B CG 1 ATOM 1550 C CD . GLN B 2 96 ? 2.750 -43.630 26.759 1.00 85.53 ? 92 GLN B CD 1 ATOM 1551 O OE1 . GLN B 2 96 ? 1.975 -42.669 26.752 1.00 87.40 ? 92 GLN B OE1 1 ATOM 1552 N NE2 . GLN B 2 96 ? 2.841 -44.468 27.786 1.00 84.35 ? 92 GLN B NE2 1 ATOM 1553 N N . ASP B 2 99 ? 1.987 -38.669 23.067 1.00 91.90 ? 95 ASP B N 1 ATOM 1554 C CA . ASP B 2 99 ? 1.601 -37.614 24.002 1.00 92.79 ? 95 ASP B CA 1 ATOM 1555 C C . ASP B 2 99 ? 0.660 -38.179 25.064 1.00 92.77 ? 95 ASP B C 1 ATOM 1556 O O . ASP B 2 99 ? 0.883 -38.007 26.268 1.00 91.82 ? 95 ASP B O 1 ATOM 1557 C CB . ASP B 2 99 ? 0.926 -36.451 23.256 1.00 94.22 ? 95 ASP B CB 1 ATOM 1558 C CG . ASP B 2 99 ? 0.933 -35.149 24.055 1.00 95.41 ? 95 ASP B CG 1 ATOM 1559 O OD1 . ASP B 2 99 ? 1.478 -35.131 25.184 1.00 96.05 ? 95 ASP B OD1 1 ATOM 1560 O OD2 . ASP B 2 99 ? 0.395 -34.136 23.545 1.00 96.87 ? 95 ASP B OD2 1 ATOM 1561 N N . HIS B 2 100 ? -0.398 -38.840 24.599 1.00 91.70 ? 96 HIS B N 1 ATOM 1562 C CA . HIS B 2 100 ? -1.308 -39.574 25.470 1.00 89.75 ? 96 HIS B CA 1 ATOM 1563 C C . HIS B 2 100 ? -1.525 -40.964 24.869 1.00 86.66 ? 96 HIS B C 1 ATOM 1564 O O . HIS B 2 100 ? -0.831 -41.345 23.919 1.00 86.79 ? 96 HIS B O 1 ATOM 1565 C CB . HIS B 2 100 ? -2.626 -38.808 25.635 1.00 94.04 ? 96 HIS B CB 1 ATOM 1566 C CG . HIS B 2 100 ? -3.040 -38.631 27.064 1.00 96.68 ? 96 HIS B CG 1 ATOM 1567 N ND1 . HIS B 2 100 ? -2.761 -37.474 27.777 1.00 97.74 ? 96 HIS B ND1 1 ATOM 1568 C CD2 . HIS B 2 100 ? -3.697 -39.464 27.917 1.00 97.64 ? 96 HIS B CD2 1 ATOM 1569 C CE1 . HIS B 2 100 ? -3.235 -37.599 29.004 1.00 97.60 ? 96 HIS B CE1 1 ATOM 1570 N NE2 . HIS B 2 100 ? -3.809 -38.797 29.115 1.00 98.31 ? 96 HIS B NE2 1 ATOM 1571 N N . CYS B 2 101 ? -2.472 -41.722 25.416 1.00 82.02 ? 97 CYS B N 1 ATOM 1572 C CA . CYS B 2 101 ? -2.672 -43.110 24.996 1.00 80.41 ? 97 CYS B CA 1 ATOM 1573 C C . CYS B 2 101 ? -3.475 -43.239 23.696 1.00 78.20 ? 97 CYS B C 1 ATOM 1574 O O . CYS B 2 101 ? -4.501 -42.579 23.522 1.00 77.31 ? 97 CYS B O 1 ATOM 1575 C CB . CYS B 2 101 ? -3.349 -43.910 26.104 1.00 78.26 ? 97 CYS B CB 1 ATOM 1576 S SG . CYS B 2 101 ? -3.097 -45.680 25.925 1.00 78.83 ? 97 CYS B SG 1 ATOM 1577 N N . ALA B 2 102 ? -2.991 -44.097 22.795 1.00 76.67 ? 98 ALA B N 1 ATOM 1578 C CA . ALA B 2 102 ? -3.644 -44.363 21.507 1.00 75.26 ? 98 ALA B CA 1 ATOM 1579 C C . ALA B 2 102 ? -4.126 -45.813 21.346 1.00 74.01 ? 98 ALA B C 1 ATOM 1580 O O . ALA B 2 102 ? -4.784 -46.133 20.357 1.00 73.85 ? 98 ALA B O 1 ATOM 1581 C CB . ALA B 2 102 ? -2.700 -44.002 20.367 1.00 74.46 ? 98 ALA B CB 1 ATOM 1582 N N . ALA B 2 103 ? -3.797 -46.684 22.301 1.00 73.25 ? 99 ALA B N 1 ATOM 1583 C CA . ALA B 2 103 ? -4.224 -48.083 22.259 1.00 72.55 ? 99 ALA B CA 1 ATOM 1584 C C . ALA B 2 103 ? -4.035 -48.770 23.612 1.00 72.28 ? 99 ALA B C 1 ATOM 1585 O O . ALA B 2 103 ? -3.058 -48.508 24.314 1.00 72.13 ? 99 ALA B O 1 ATOM 1586 C CB . ALA B 2 103 ? -3.448 -48.834 21.184 1.00 72.55 ? 99 ALA B CB 1 ATOM 1587 N N . CYS B 2 104 ? -4.966 -49.655 23.967 1.00 71.93 ? 100 CYS B N 1 ATOM 1588 C CA . CYS B 2 104 ? -4.857 -50.450 25.189 1.00 71.55 ? 100 CYS B CA 1 ATOM 1589 C C . CYS B 2 104 ? -5.115 -51.933 24.921 1.00 70.14 ? 100 CYS B C 1 ATOM 1590 O O . CYS B 2 104 ? -5.871 -52.288 24.014 1.00 69.39 ? 100 CYS B O 1 ATOM 1591 C CB . CYS B 2 104 ? -5.844 -49.960 26.255 1.00 72.72 ? 100 CYS B CB 1 ATOM 1592 S SG . CYS B 2 104 ? -6.028 -48.171 26.406 1.00 75.70 ? 100 CYS B SG 1 ATOM 1593 N N . ARG B 2 105 ? -4.483 -52.787 25.724 1.00 69.37 ? 101 ARG B N 1 ATOM 1594 C CA . ARG B 2 105 ? -4.748 -54.224 25.720 1.00 70.84 ? 101 ARG B CA 1 ATOM 1595 C C . ARG B 2 105 ? -5.450 -54.583 27.028 1.00 72.05 ? 101 ARG B C 1 ATOM 1596 O O . ARG B 2 105 ? -5.287 -53.886 28.029 1.00 72.65 ? 101 ARG B O 1 ATOM 1597 C CB . ARG B 2 105 ? -3.438 -55.018 25.581 1.00 70.06 ? 101 ARG B CB 1 ATOM 1598 C CG . ARG B 2 105 ? -3.624 -56.497 25.192 1.00 69.21 ? 101 ARG B CG 1 ATOM 1599 C CD . ARG B 2 105 ? -2.308 -57.296 25.206 1.00 68.01 ? 101 ARG B CD 1 ATOM 1600 N NE . ARG B 2 105 ? -1.173 -56.531 24.687 1.00 67.56 ? 101 ARG B NE 1 ATOM 1601 C CZ . ARG B 2 105 ? -0.977 -56.219 23.406 1.00 65.49 ? 101 ARG B CZ 1 ATOM 1602 N NH1 . ARG B 2 105 ? -1.839 -56.603 22.468 1.00 63.70 ? 101 ARG B NH1 1 ATOM 1603 N NH2 . ARG B 2 105 ? 0.095 -55.512 23.060 1.00 65.00 ? 101 ARG B NH2 1 ATOM 1604 N N . ALA B 2 106 ? -6.233 -55.661 27.011 1.00 72.86 ? 102 ALA B N 1 ATOM 1605 C CA . ALA B 2 106 ? -6.942 -56.134 28.203 1.00 73.93 ? 102 ALA B CA 1 ATOM 1606 C C . ALA B 2 106 ? -6.026 -56.972 29.092 1.00 75.43 ? 102 ALA B C 1 ATOM 1607 O O . ALA B 2 106 ? -5.019 -57.502 28.625 1.00 77.04 ? 102 ALA B O 1 ATOM 1608 C CB . ALA B 2 106 ? -8.164 -56.948 27.798 1.00 74.18 ? 102 ALA B CB 1 ATOM 1609 N N . TYR B 2 107 ? -6.381 -57.092 30.372 1.00 76.03 ? 103 TYR B N 1 ATOM 1610 C CA . TYR B 2 107 ? -5.627 -57.938 31.303 1.00 75.68 ? 103 TYR B CA 1 ATOM 1611 C C . TYR B 2 107 ? -5.942 -59.413 31.069 1.00 75.18 ? 103 TYR B C 1 ATOM 1612 O O . TYR B 2 107 ? -5.438 -60.285 31.779 1.00 75.33 ? 103 TYR B O 1 ATOM 1613 C CB . TYR B 2 107 ? -5.936 -57.572 32.756 1.00 76.30 ? 103 TYR B CB 1 ATOM 1614 C CG . TYR B 2 107 ? -5.438 -56.207 33.170 1.00 76.59 ? 103 TYR B CG 1 ATOM 1615 C CD1 . TYR B 2 107 ? -4.075 -55.954 33.311 1.00 76.48 ? 103 TYR B CD1 1 ATOM 1616 C CD2 . TYR B 2 107 ? -6.331 -55.172 33.441 1.00 76.76 ? 103 TYR B CD2 1 ATOM 1617 C CE1 . TYR B 2 107 ? -3.614 -54.703 33.700 1.00 76.22 ? 103 TYR B CE1 1 ATOM 1618 C CE2 . TYR B 2 107 ? -5.881 -53.918 33.829 1.00 76.60 ? 103 TYR B CE2 1 ATOM 1619 C CZ . TYR B 2 107 ? -4.523 -53.689 33.957 1.00 76.53 ? 103 TYR B CZ 1 ATOM 1620 O OH . TYR B 2 107 ? -4.079 -52.446 34.339 1.00 76.62 ? 103 TYR B OH 1 ATOM 1621 N N . CYS C 1 9 ? -28.892 6.626 2.487 1.00 72.77 ? 34 CYS X N 1 ATOM 1622 C CA . CYS C 1 9 ? -28.353 6.840 3.867 1.00 73.53 ? 34 CYS X CA 1 ATOM 1623 C C . CYS C 1 9 ? -28.125 8.329 4.167 1.00 73.36 ? 34 CYS X C 1 ATOM 1624 O O . CYS C 1 9 ? -28.404 9.188 3.326 1.00 75.00 ? 34 CYS X O 1 ATOM 1625 C CB . CYS C 1 9 ? -27.053 6.047 4.068 1.00 75.03 ? 34 CYS X CB 1 ATOM 1626 S SG . CYS C 1 9 ? -25.576 6.802 3.343 1.00 76.18 ? 34 CYS X SG 1 ATOM 1627 N N . ASP C 1 10 ? -27.616 8.618 5.367 1.00 71.73 ? 35 ASP X N 1 ATOM 1628 C CA . ASP C 1 10 ? -27.419 9.993 5.835 1.00 69.69 ? 35 ASP X CA 1 ATOM 1629 C C . ASP C 1 10 ? -25.933 10.240 6.139 1.00 66.02 ? 35 ASP X C 1 ATOM 1630 O O . ASP C 1 10 ? -25.295 9.439 6.827 1.00 62.84 ? 35 ASP X O 1 ATOM 1631 C CB . ASP C 1 10 ? -28.269 10.224 7.089 1.00 72.70 ? 35 ASP X CB 1 ATOM 1632 C CG . ASP C 1 10 ? -28.812 11.636 7.178 1.00 74.59 ? 35 ASP X CG 1 ATOM 1633 O OD1 . ASP C 1 10 ? -28.014 12.571 7.410 1.00 74.94 ? 35 ASP X OD1 1 ATOM 1634 O OD2 . ASP C 1 10 ? -30.044 11.804 7.022 1.00 75.39 ? 35 ASP X OD2 1 ATOM 1635 N N . VAL C 1 11 ? -25.391 11.344 5.625 1.00 62.74 ? 36 VAL X N 1 ATOM 1636 C CA . VAL C 1 11 ? -23.957 11.630 5.741 1.00 61.80 ? 36 VAL X CA 1 ATOM 1637 C C . VAL C 1 11 ? -23.624 12.116 7.148 1.00 60.54 ? 36 VAL X C 1 ATOM 1638 O O . VAL C 1 11 ? -24.396 12.865 7.743 1.00 60.98 ? 36 VAL X O 1 ATOM 1639 C CB . VAL C 1 11 ? -23.490 12.676 4.704 1.00 61.47 ? 36 VAL X CB 1 ATOM 1640 C CG1 . VAL C 1 11 ? -22.014 13.013 4.898 1.00 61.88 ? 36 VAL X CG1 1 ATOM 1641 C CG2 . VAL C 1 11 ? -23.726 12.158 3.296 1.00 61.84 ? 36 VAL X CG2 1 ATOM 1642 N N . GLN C 1 12 ? -22.471 11.687 7.666 1.00 57.53 ? 37 GLN X N 1 ATOM 1643 C CA . GLN C 1 12 ? -22.097 11.937 9.058 1.00 55.71 ? 37 GLN X CA 1 ATOM 1644 C C . GLN C 1 12 ? -20.639 11.516 9.302 1.00 53.07 ? 37 GLN X C 1 ATOM 1645 O O . GLN C 1 12 ? -20.077 10.756 8.517 1.00 52.74 ? 37 GLN X O 1 ATOM 1646 C CB . GLN C 1 12 ? -23.061 11.180 9.983 1.00 55.07 ? 37 GLN X CB 1 ATOM 1647 C CG . GLN C 1 12 ? -22.886 11.416 11.478 1.00 56.29 ? 37 GLN X CG 1 ATOM 1648 C CD . GLN C 1 12 ? -23.020 12.867 11.890 1.00 52.93 ? 37 GLN X CD 1 ATOM 1649 O OE1 . GLN C 1 12 ? -22.049 13.484 12.321 1.00 52.39 ? 37 GLN X OE1 1 ATOM 1650 N NE2 . GLN C 1 12 ? -24.222 13.412 11.775 1.00 50.20 ? 37 GLN X NE2 1 ATOM 1651 N N . LEU C 1 13 ? -20.029 12.032 10.369 1.00 51.03 ? 38 LEU X N 1 ATOM 1652 C CA . LEU C 1 13 ? -18.647 11.699 10.725 1.00 51.96 ? 38 LEU X CA 1 ATOM 1653 C C . LEU C 1 13 ? -18.585 11.039 12.096 1.00 52.54 ? 38 LEU X C 1 ATOM 1654 O O . LEU C 1 13 ? -19.255 11.480 13.029 1.00 56.38 ? 38 LEU X O 1 ATOM 1655 C CB . LEU C 1 13 ? -17.782 12.955 10.711 1.00 49.22 ? 38 LEU X CB 1 ATOM 1656 C CG . LEU C 1 13 ? -17.673 13.637 9.350 1.00 48.64 ? 38 LEU X CG 1 ATOM 1657 C CD1 . LEU C 1 13 ? -16.813 14.887 9.442 1.00 49.00 ? 38 LEU X CD1 1 ATOM 1658 C CD2 . LEU C 1 13 ? -17.112 12.680 8.320 1.00 48.79 ? 38 LEU X CD2 1 ATOM 1659 N N . TYR C 1 14 ? -17.760 9.999 12.219 1.00 51.01 ? 39 TYR X N 1 ATOM 1660 C CA . TYR C 1 14 ? -17.840 9.083 13.355 1.00 52.68 ? 39 TYR X CA 1 ATOM 1661 C C . TYR C 1 14 ? -16.588 9.062 14.227 1.00 52.58 ? 39 TYR X C 1 ATOM 1662 O O . TYR C 1 14 ? -16.021 8.007 14.493 1.00 56.28 ? 39 TYR X O 1 ATOM 1663 C CB . TYR C 1 14 ? -18.153 7.668 12.856 1.00 57.59 ? 39 TYR X CB 1 ATOM 1664 C CG . TYR C 1 14 ? -19.586 7.463 12.424 1.00 58.76 ? 39 TYR X CG 1 ATOM 1665 C CD1 . TYR C 1 14 ? -20.044 7.957 11.212 1.00 60.10 ? 39 TYR X CD1 1 ATOM 1666 C CD2 . TYR C 1 14 ? -20.481 6.765 13.224 1.00 58.95 ? 39 TYR X CD2 1 ATOM 1667 C CE1 . TYR C 1 14 ? -21.353 7.766 10.813 1.00 59.82 ? 39 TYR X CE1 1 ATOM 1668 C CE2 . TYR C 1 14 ? -21.790 6.566 12.834 1.00 58.44 ? 39 TYR X CE2 1 ATOM 1669 C CZ . TYR C 1 14 ? -22.222 7.068 11.627 1.00 59.71 ? 39 TYR X CZ 1 ATOM 1670 O OH . TYR C 1 14 ? -23.528 6.874 11.229 1.00 60.16 ? 39 TYR X OH 1 ATOM 1671 N N . ILE C 1 15 ? -16.156 10.231 14.675 1.00 50.65 ? 40 ILE X N 1 ATOM 1672 C CA . ILE C 1 15 ? -15.171 10.316 15.745 1.00 49.28 ? 40 ILE X CA 1 ATOM 1673 C C . ILE C 1 15 ? -15.896 10.340 17.085 1.00 47.83 ? 40 ILE X C 1 ATOM 1674 O O . ILE C 1 15 ? -16.845 11.092 17.267 1.00 50.87 ? 40 ILE X O 1 ATOM 1675 C CB . ILE C 1 15 ? -14.313 11.563 15.609 1.00 48.26 ? 40 ILE X CB 1 ATOM 1676 C CG1 . ILE C 1 15 ? -13.382 11.394 14.418 1.00 47.10 ? 40 ILE X CG1 1 ATOM 1677 C CG2 . ILE C 1 15 ? -13.519 11.808 16.893 1.00 50.09 ? 40 ILE X CG2 1 ATOM 1678 C CD1 . ILE C 1 15 ? -12.593 12.613 14.099 1.00 49.97 ? 40 ILE X CD1 1 ATOM 1679 N N . LYS C 1 16 ? -15.433 9.531 18.028 1.00 49.33 ? 41 LYS X N 1 ATOM 1680 C CA . LYS C 1 16 ? -16.107 9.401 19.320 1.00 49.21 ? 41 LYS X CA 1 ATOM 1681 C C . LYS C 1 16 ? -15.756 10.562 20.261 1.00 50.09 ? 41 LYS X C 1 ATOM 1682 O O . LYS C 1 16 ? -14.653 11.115 20.207 1.00 50.33 ? 41 LYS X O 1 ATOM 1683 C CB . LYS C 1 16 ? -15.772 8.056 19.976 1.00 46.95 ? 41 LYS X CB 1 ATOM 1684 C CG . LYS C 1 16 ? -16.815 7.615 20.983 1.00 48.27 ? 41 LYS X CG 1 ATOM 1685 C CD . LYS C 1 16 ? -16.464 6.297 21.649 1.00 47.45 ? 41 LYS X CD 1 ATOM 1686 C CE . LYS C 1 16 ? -17.451 5.971 22.762 1.00 45.87 ? 41 LYS X CE 1 ATOM 1687 N NZ . LYS C 1 16 ? -17.398 6.965 23.871 1.00 40.61 ? 41 LYS X NZ 1 ATOM 1688 N N . ARG C 1 17 ? -16.708 10.917 21.120 1.00 48.76 ? 42 ARG X N 1 ATOM 1689 C CA . ARG C 1 17 ? -16.543 12.035 22.033 1.00 48.97 ? 42 ARG X CA 1 ATOM 1690 C C . ARG C 1 17 ? -15.325 11.821 22.928 1.00 49.90 ? 42 ARG X C 1 ATOM 1691 O O . ARG C 1 17 ? -15.142 10.743 23.485 1.00 50.55 ? 42 ARG X O 1 ATOM 1692 C CB . ARG C 1 17 ? -17.794 12.227 22.901 1.00 48.10 ? 42 ARG X CB 1 ATOM 1693 C CG . ARG C 1 17 ? -17.992 13.664 23.373 1.00 48.40 ? 42 ARG X CG 1 ATOM 1694 C CD . ARG C 1 17 ? -18.907 13.770 24.594 1.00 47.88 ? 42 ARG X CD 1 ATOM 1695 N NE . ARG C 1 17 ? -20.193 13.088 24.418 1.00 46.76 ? 42 ARG X NE 1 ATOM 1696 C CZ . ARG C 1 17 ? -21.246 13.586 23.772 1.00 43.75 ? 42 ARG X CZ 1 ATOM 1697 N NH1 . ARG C 1 17 ? -21.203 14.793 23.224 1.00 43.00 ? 42 ARG X NH1 1 ATOM 1698 N NH2 . ARG C 1 17 ? -22.359 12.867 23.680 1.00 43.95 ? 42 ARG X NH2 1 ATOM 1699 N N . GLN C 1 18 ? -14.506 12.864 23.049 1.00 50.36 ? 43 GLN X N 1 ATOM 1700 C CA . GLN C 1 18 ? -13.294 12.865 23.870 1.00 48.15 ? 43 GLN X CA 1 ATOM 1701 C C . GLN C 1 18 ? -12.291 11.825 23.406 1.00 47.50 ? 43 GLN X C 1 ATOM 1702 O O . GLN C 1 18 ? -11.592 11.213 24.210 1.00 51.54 ? 43 GLN X O 1 ATOM 1703 C CB . GLN C 1 18 ? -13.632 12.724 25.360 1.00 47.24 ? 43 GLN X CB 1 ATOM 1704 C CG . GLN C 1 18 ? -14.203 14.011 25.959 1.00 48.50 ? 43 GLN X CG 1 ATOM 1705 C CD . GLN C 1 18 ? -15.037 13.768 27.210 1.00 49.51 ? 43 GLN X CD 1 ATOM 1706 O OE1 . GLN C 1 18 ? -14.624 13.041 28.114 1.00 48.52 ? 43 GLN X OE1 1 ATOM 1707 N NE2 . GLN C 1 18 ? -16.225 14.374 27.260 1.00 49.15 ? 43 GLN X NE2 1 ATOM 1708 N N . SER C 1 19 ? -12.217 11.635 22.094 1.00 47.48 ? 44 SER X N 1 ATOM 1709 C CA . SER C 1 19 ? -11.190 10.783 21.503 1.00 48.34 ? 44 SER X CA 1 ATOM 1710 C C . SER C 1 19 ? -9.801 11.354 21.824 1.00 49.15 ? 44 SER X C 1 ATOM 1711 O O . SER C 1 19 ? -9.610 12.572 21.809 1.00 49.24 ? 44 SER X O 1 ATOM 1712 C CB . SER C 1 19 ? -11.389 10.699 19.990 1.00 46.87 ? 44 SER X CB 1 ATOM 1713 O OG . SER C 1 19 ? -10.281 10.091 19.351 1.00 45.82 ? 44 SER X OG 1 ATOM 1714 N N . GLU C 1 20 ? -8.848 10.474 22.129 1.00 48.13 ? 45 GLU X N 1 ATOM 1715 C CA . GLU C 1 20 ? -7.470 10.881 22.429 1.00 48.79 ? 45 GLU X CA 1 ATOM 1716 C C . GLU C 1 20 ? -6.448 9.809 22.041 1.00 49.01 ? 45 GLU X C 1 ATOM 1717 O O . GLU C 1 20 ? -6.733 8.615 22.094 1.00 49.87 ? 45 GLU X O 1 ATOM 1718 C CB . GLU C 1 20 ? -7.307 11.242 23.914 1.00 49.02 ? 45 GLU X CB 1 ATOM 1719 C CG . GLU C 1 20 ? -7.899 10.234 24.884 1.00 49.62 ? 45 GLU X CG 1 ATOM 1720 C CD . GLU C 1 20 ? -7.446 10.444 26.317 1.00 49.10 ? 45 GLU X CD 1 ATOM 1721 O OE1 . GLU C 1 20 ? -6.246 10.249 26.600 1.00 53.29 ? 45 GLU X OE1 1 ATOM 1722 O OE2 . GLU C 1 20 ? -8.291 10.772 27.170 1.00 47.37 ? 45 GLU X OE2 1 ATOM 1723 N N . HIS C 1 21 ? -5.260 10.260 21.645 1.00 49.80 ? 46 HIS X N 1 ATOM 1724 C CA . HIS C 1 21 ? -4.142 9.376 21.326 1.00 48.54 ? 46 HIS X CA 1 ATOM 1725 C C . HIS C 1 21 ? -2.884 9.925 21.983 1.00 47.10 ? 46 HIS X C 1 ATOM 1726 O O . HIS C 1 21 ? -2.627 11.126 21.905 1.00 47.87 ? 46 HIS X O 1 ATOM 1727 C CB . HIS C 1 21 ? -3.934 9.295 19.806 1.00 48.43 ? 46 HIS X CB 1 ATOM 1728 C CG . HIS C 1 21 ? -5.162 8.906 19.042 1.00 46.99 ? 46 HIS X CG 1 ATOM 1729 N ND1 . HIS C 1 21 ? -5.613 7.606 18.966 1.00 46.23 ? 46 HIS X ND1 1 ATOM 1730 C CD2 . HIS C 1 21 ? -6.033 9.650 18.319 1.00 46.97 ? 46 HIS X CD2 1 ATOM 1731 C CE1 . HIS C 1 21 ? -6.710 7.567 18.231 1.00 47.96 ? 46 HIS X CE1 1 ATOM 1732 N NE2 . HIS C 1 21 ? -6.988 8.796 17.829 1.00 46.49 ? 46 HIS X NE2 1 ATOM 1733 N N . SER C 1 22 ? -2.107 9.055 22.624 1.00 46.56 ? 47 SER X N 1 ATOM 1734 C CA . SER C 1 22 ? -0.813 9.441 23.204 1.00 48.08 ? 47 SER X CA 1 ATOM 1735 C C . SER C 1 22 ? 0.324 8.848 22.389 1.00 48.79 ? 47 SER X C 1 ATOM 1736 O O . SER C 1 22 ? 0.361 7.639 22.170 1.00 51.85 ? 47 SER X O 1 ATOM 1737 C CB . SER C 1 22 ? -0.702 8.940 24.639 1.00 47.48 ? 47 SER X CB 1 ATOM 1738 O OG . SER C 1 22 ? -1.687 9.532 25.460 1.00 48.90 ? 47 SER X OG 1 ATOM 1739 N N . ILE C 1 23 ? 1.264 9.685 21.962 1.00 49.39 ? 48 ILE X N 1 ATOM 1740 C CA . ILE C 1 23 ? 2.344 9.234 21.071 1.00 49.69 ? 48 ILE X CA 1 ATOM 1741 C C . ILE C 1 23 ? 3.712 9.833 21.383 1.00 48.26 ? 48 ILE X C 1 ATOM 1742 O O . ILE C 1 23 ? 3.834 10.763 22.187 1.00 45.28 ? 48 ILE X O 1 ATOM 1743 C CB . ILE C 1 23 ? 1.999 9.514 19.599 1.00 51.10 ? 48 ILE X CB 1 ATOM 1744 C CG1 . ILE C 1 23 ? 1.691 11.005 19.392 1.00 52.12 ? 48 ILE X CG1 1 ATOM 1745 C CG2 . ILE C 1 23 ? 0.824 8.639 19.172 1.00 52.53 ? 48 ILE X CG2 1 ATOM 1746 C CD1 . ILE C 1 23 ? 0.995 11.324 18.071 1.00 53.05 ? 48 ILE X CD1 1 ATOM 1747 N N . LEU C 1 24 ? 4.733 9.263 20.743 1.00 48.15 ? 49 LEU X N 1 ATOM 1748 C CA . LEU C 1 24 ? 6.112 9.728 20.866 1.00 46.15 ? 49 LEU X CA 1 ATOM 1749 C C . LEU C 1 24 ? 6.534 10.494 19.621 1.00 43.36 ? 49 LEU X C 1 ATOM 1750 O O . LEU C 1 24 ? 6.260 10.064 18.502 1.00 42.28 ? 49 LEU X O 1 ATOM 1751 C CB . LEU C 1 24 ? 7.053 8.541 21.044 1.00 46.25 ? 49 LEU X CB 1 ATOM 1752 C CG . LEU C 1 24 ? 6.764 7.552 22.173 1.00 47.85 ? 49 LEU X CG 1 ATOM 1753 C CD1 . LEU C 1 24 ? 7.831 6.457 22.191 1.00 47.87 ? 49 LEU X CD1 1 ATOM 1754 C CD2 . LEU C 1 24 ? 6.697 8.260 23.520 1.00 47.92 ? 49 LEU X CD2 1 ATOM 1755 N N . ALA C 1 25 ? 7.220 11.617 19.816 1.00 44.37 ? 50 ALA X N 1 ATOM 1756 C CA . ALA C 1 25 ? 7.814 12.358 18.697 1.00 44.77 ? 50 ALA X CA 1 ATOM 1757 C C . ALA C 1 25 ? 8.889 11.509 18.023 1.00 45.09 ? 50 ALA X C 1 ATOM 1758 O O . ALA C 1 25 ? 9.666 10.846 18.702 1.00 45.14 ? 50 ALA X O 1 ATOM 1759 C CB . ALA C 1 25 ? 8.405 13.664 19.180 1.00 41.50 ? 50 ALA X CB 1 ATOM 1760 N N . GLY C 1 26 ? 8.918 11.515 16.692 1.00 47.76 ? 51 GLY X N 1 ATOM 1761 C CA . GLY C 1 26 ? 9.908 10.741 15.927 1.00 47.76 ? 51 GLY X CA 1 ATOM 1762 C C . GLY C 1 26 ? 9.355 9.487 15.269 1.00 47.58 ? 51 GLY X C 1 ATOM 1763 O O . GLY C 1 26 ? 9.950 8.969 14.328 1.00 46.06 ? 51 GLY X O 1 ATOM 1764 N N . ASP C 1 27 ? 8.224 8.995 15.772 1.00 49.55 ? 52 ASP X N 1 ATOM 1765 C CA . ASP C 1 27 ? 7.541 7.842 15.193 1.00 50.14 ? 52 ASP X CA 1 ATOM 1766 C C . ASP C 1 27 ? 6.430 8.318 14.277 1.00 51.27 ? 52 ASP X C 1 ATOM 1767 O O . ASP C 1 27 ? 5.875 9.396 14.488 1.00 53.87 ? 52 ASP X O 1 ATOM 1768 C CB . ASP C 1 27 ? 6.928 6.972 16.290 1.00 49.58 ? 52 ASP X CB 1 ATOM 1769 C CG . ASP C 1 27 ? 7.943 6.522 17.315 1.00 51.94 ? 52 ASP X CG 1 ATOM 1770 O OD1 . ASP C 1 27 ? 9.161 6.489 17.003 1.00 51.67 ? 52 ASP X OD1 1 ATOM 1771 O OD2 . ASP C 1 27 ? 7.513 6.198 18.440 1.00 52.32 ? 52 ASP X OD2 1 ATOM 1772 N N . PRO C 1 28 ? 6.085 7.509 13.262 1.00 51.85 ? 53 PRO X N 1 ATOM 1773 C CA . PRO C 1 28 ? 4.976 7.868 12.379 1.00 52.84 ? 53 PRO X CA 1 ATOM 1774 C C . PRO C 1 28 ? 3.625 7.731 13.071 1.00 53.69 ? 53 PRO X C 1 ATOM 1775 O O . PRO C 1 28 ? 3.510 7.025 14.078 1.00 54.09 ? 53 PRO X O 1 ATOM 1776 C CB . PRO C 1 28 ? 5.097 6.857 11.235 1.00 53.28 ? 53 PRO X CB 1 ATOM 1777 C CG . PRO C 1 28 ? 5.768 5.676 11.849 1.00 52.45 ? 53 PRO X CG 1 ATOM 1778 C CD . PRO C 1 28 ? 6.705 6.227 12.878 1.00 51.64 ? 53 PRO X CD 1 ATOM 1779 N N . PHE C 1 29 ? 2.616 8.409 12.534 1.00 53.08 ? 54 PHE X N 1 ATOM 1780 C CA . PHE C 1 29 ? 1.272 8.336 13.088 1.00 53.64 ? 54 PHE X CA 1 ATOM 1781 C C . PHE C 1 29 ? 0.235 8.864 12.098 1.00 55.90 ? 54 PHE X C 1 ATOM 1782 O O . PHE C 1 29 ? 0.528 9.749 11.295 1.00 54.84 ? 54 PHE X O 1 ATOM 1783 C CB . PHE C 1 29 ? 1.187 9.124 14.401 1.00 53.32 ? 54 PHE X CB 1 ATOM 1784 C CG . PHE C 1 29 ? -0.032 8.800 15.220 1.00 53.38 ? 54 PHE X CG 1 ATOM 1785 C CD1 . PHE C 1 29 ? -0.128 7.590 15.891 1.00 52.86 ? 54 PHE X CD1 1 ATOM 1786 C CD2 . PHE C 1 29 ? -1.089 9.696 15.308 1.00 53.72 ? 54 PHE X CD2 1 ATOM 1787 C CE1 . PHE C 1 29 ? -1.250 7.276 16.640 1.00 52.61 ? 54 PHE X CE1 1 ATOM 1788 C CE2 . PHE C 1 29 ? -2.213 9.389 16.053 1.00 54.19 ? 54 PHE X CE2 1 ATOM 1789 C CZ . PHE C 1 29 ? -2.293 8.174 16.724 1.00 53.76 ? 54 PHE X CZ 1 ATOM 1790 N N . GLU C 1 30 ? -0.977 8.313 12.167 1.00 57.48 ? 55 GLU X N 1 ATOM 1791 C CA . GLU C 1 30 ? -2.089 8.790 11.354 1.00 55.78 ? 55 GLU X CA 1 ATOM 1792 C C . GLU C 1 30 ? -3.381 8.919 12.154 1.00 54.78 ? 55 GLU X C 1 ATOM 1793 O O . GLU C 1 30 ? -3.618 8.167 13.094 1.00 58.00 ? 55 GLU X O 1 ATOM 1794 C CB . GLU C 1 30 ? -2.304 7.905 10.120 1.00 58.35 ? 55 GLU X CB 1 ATOM 1795 C CG . GLU C 1 30 ? -2.025 6.412 10.290 1.00 60.77 ? 55 GLU X CG 1 ATOM 1796 C CD . GLU C 1 30 ? -1.675 5.739 8.966 1.00 61.02 ? 55 GLU X CD 1 ATOM 1797 O OE1 . GLU C 1 30 ? -2.457 5.867 8.003 1.00 59.64 ? 55 GLU X OE1 1 ATOM 1798 O OE2 . GLU C 1 30 ? -0.607 5.089 8.888 1.00 65.46 ? 55 GLU X OE2 1 ATOM 1799 N N . LEU C 1 31 ? -4.187 9.911 11.784 1.00 53.85 ? 56 LEU X N 1 ATOM 1800 C CA . LEU C 1 31 ? -5.523 10.111 12.334 1.00 51.26 ? 56 LEU X CA 1 ATOM 1801 C C . LEU C 1 31 ? -6.525 9.787 11.243 1.00 49.43 ? 56 LEU X C 1 ATOM 1802 O O . LEU C 1 31 ? -6.410 10.285 10.128 1.00 48.14 ? 56 LEU X O 1 ATOM 1803 C CB . LEU C 1 31 ? -5.725 11.559 12.783 1.00 50.09 ? 56 LEU X CB 1 ATOM 1804 C CG . LEU C 1 31 ? -5.071 12.032 14.080 1.00 50.69 ? 56 LEU X CG 1 ATOM 1805 C CD1 . LEU C 1 31 ? -5.448 13.473 14.333 1.00 52.77 ? 56 LEU X CD1 1 ATOM 1806 C CD2 . LEU C 1 31 ? -5.482 11.175 15.262 1.00 51.81 ? 56 LEU X CD2 1 ATOM 1807 N N . GLU C 1 32 ? -7.514 8.964 11.570 1.00 49.89 ? 57 GLU X N 1 ATOM 1808 C CA . GLU C 1 32 ? -8.448 8.461 10.580 1.00 49.44 ? 57 GLU X CA 1 ATOM 1809 C C . GLU C 1 32 ? -9.837 8.980 10.892 1.00 48.24 ? 57 GLU X C 1 ATOM 1810 O O . GLU C 1 32 ? -10.427 8.603 11.901 1.00 48.69 ? 57 GLU X O 1 ATOM 1811 C CB . GLU C 1 32 ? -8.403 6.933 10.567 1.00 49.31 ? 57 GLU X CB 1 ATOM 1812 C CG . GLU C 1 32 ? -6.972 6.404 10.592 1.00 51.38 ? 57 GLU X CG 1 ATOM 1813 C CD . GLU C 1 32 ? -6.837 4.941 10.250 1.00 52.93 ? 57 GLU X CD 1 ATOM 1814 O OE1 . GLU C 1 32 ? -7.821 4.306 9.817 1.00 54.43 ? 57 GLU X OE1 1 ATOM 1815 O OE2 . GLU C 1 32 ? -5.716 4.423 10.415 1.00 58.74 ? 57 GLU X OE2 1 ATOM 1816 N N . CYS C 1 33 ? -10.338 9.873 10.041 1.00 48.96 ? 58 CYS X N 1 ATOM 1817 C CA . CYS C 1 33 ? -11.672 10.447 10.216 1.00 49.57 ? 58 CYS X CA 1 ATOM 1818 C C . CYS C 1 33 ? -12.669 9.533 9.515 1.00 48.53 ? 58 CYS X C 1 ATOM 1819 O O . CYS C 1 33 ? -12.689 9.495 8.284 1.00 51.58 ? 58 CYS X O 1 ATOM 1820 C CB . CYS C 1 33 ? -11.725 11.865 9.632 1.00 52.13 ? 58 CYS X CB 1 ATOM 1821 S SG . CYS C 1 33 ? -13.377 12.551 9.399 1.00 54.61 ? 58 CYS X SG 1 ATOM 1822 N N . PRO C 1 34 ? -13.480 8.772 10.281 1.00 44.55 ? 59 PRO X N 1 ATOM 1823 C CA . PRO C 1 34 ? -14.427 7.885 9.610 1.00 46.65 ? 59 PRO X CA 1 ATOM 1824 C C . PRO C 1 34 ? -15.605 8.649 9.014 1.00 44.99 ? 59 PRO X C 1 ATOM 1825 O O . PRO C 1 34 ? -16.260 9.406 9.725 1.00 45.64 ? 59 PRO X O 1 ATOM 1826 C CB . PRO C 1 34 ? -14.899 6.953 10.732 1.00 44.85 ? 59 PRO X CB 1 ATOM 1827 C CG . PRO C 1 34 ? -14.035 7.258 11.907 1.00 42.95 ? 59 PRO X CG 1 ATOM 1828 C CD . PRO C 1 34 ? -13.597 8.650 11.740 1.00 43.19 ? 59 PRO X CD 1 ATOM 1829 N N . VAL C 1 35 ? -15.847 8.448 7.720 1.00 44.82 ? 60 VAL X N 1 ATOM 1830 C CA . VAL C 1 35 ? -16.903 9.142 6.980 1.00 48.83 ? 60 VAL X CA 1 ATOM 1831 C C . VAL C 1 35 ? -17.946 8.148 6.483 1.00 49.97 ? 60 VAL X C 1 ATOM 1832 O O . VAL C 1 35 ? -17.608 7.216 5.758 1.00 50.02 ? 60 VAL X O 1 ATOM 1833 C CB . VAL C 1 35 ? -16.335 9.868 5.726 1.00 49.46 ? 60 VAL X CB 1 ATOM 1834 C CG1 . VAL C 1 35 ? -17.426 10.695 5.040 1.00 48.03 ? 60 VAL X CG1 1 ATOM 1835 C CG2 . VAL C 1 35 ? -15.130 10.742 6.091 1.00 50.06 ? 60 VAL X CG2 1 ATOM 1836 N N . LYS C 1 36 ? -19.205 8.344 6.866 1.00 52.64 ? 61 LYS X N 1 ATOM 1837 C CA . LYS C 1 36 ? -20.306 7.565 6.301 1.00 53.99 ? 61 LYS X CA 1 ATOM 1838 C C . LYS C 1 36 ? -20.988 8.391 5.227 1.00 54.94 ? 61 LYS X C 1 ATOM 1839 O O . LYS C 1 36 ? -21.330 9.550 5.452 1.00 55.28 ? 61 LYS X O 1 ATOM 1840 C CB . LYS C 1 36 ? -21.329 7.183 7.370 1.00 55.51 ? 61 LYS X CB 1 ATOM 1841 C CG . LYS C 1 36 ? -22.346 6.140 6.914 1.00 55.35 ? 61 LYS X CG 1 ATOM 1842 C CD . LYS C 1 36 ? -23.411 5.895 7.985 1.00 57.04 ? 61 LYS X CD 1 ATOM 1843 C CE . LYS C 1 36 ? -24.211 4.616 7.726 1.00 58.12 ? 61 LYS X CE 1 ATOM 1844 N NZ . LYS C 1 36 ? -24.971 4.651 6.438 1.00 60.03 ? 61 LYS X NZ 1 ATOM 1845 N N . TYR C 1 37 ? -21.172 7.792 4.058 1.00 55.09 ? 62 TYR X N 1 ATOM 1846 C CA . TYR C 1 37 ? -21.934 8.413 2.988 1.00 56.12 ? 62 TYR X CA 1 ATOM 1847 C C . TYR C 1 37 ? -22.408 7.333 2.029 1.00 58.93 ? 62 TYR X C 1 ATOM 1848 O O . TYR C 1 37 ? -22.006 6.177 2.145 1.00 62.81 ? 62 TYR X O 1 ATOM 1849 C CB . TYR C 1 37 ? -21.087 9.460 2.257 1.00 52.72 ? 62 TYR X CB 1 ATOM 1850 C CG . TYR C 1 37 ? -19.995 8.893 1.377 1.00 52.11 ? 62 TYR X CG 1 ATOM 1851 C CD1 . TYR C 1 37 ? -18.769 8.511 1.911 1.00 52.14 ? 62 TYR X CD1 1 ATOM 1852 C CD2 . TYR C 1 37 ? -20.186 8.747 0.006 1.00 51.75 ? 62 TYR X CD2 1 ATOM 1853 C CE1 . TYR C 1 37 ? -17.764 7.992 1.106 1.00 51.53 ? 62 TYR X CE1 1 ATOM 1854 C CE2 . TYR C 1 37 ? -19.188 8.232 -0.805 1.00 52.13 ? 62 TYR X CE2 1 ATOM 1855 C CZ . TYR C 1 37 ? -17.980 7.856 -0.250 1.00 51.30 ? 62 TYR X CZ 1 ATOM 1856 O OH . TYR C 1 37 ? -16.991 7.350 -1.053 1.00 51.10 ? 62 TYR X OH 1 ATOM 1857 N N . CYS C 1 38 ? -23.267 7.704 1.090 1.00 61.68 ? 63 CYS X N 1 ATOM 1858 C CA . CYS C 1 38 ? -23.722 6.765 0.067 1.00 63.97 ? 63 CYS X CA 1 ATOM 1859 C C . CYS C 1 38 ? -23.608 7.387 -1.320 1.00 63.46 ? 63 CYS X C 1 ATOM 1860 O O . CYS C 1 38 ? -22.785 6.955 -2.131 1.00 61.92 ? 63 CYS X O 1 ATOM 1861 C CB . CYS C 1 38 ? -25.150 6.267 0.358 1.00 68.67 ? 63 CYS X CB 1 ATOM 1862 S SG . CYS C 1 38 ? -26.163 7.319 1.457 1.00 74.75 ? 63 CYS X SG 1 ATOM 1863 N N . ALA C 1 39 ? -24.405 8.423 -1.567 1.00 63.52 ? 64 ALA X N 1 ATOM 1864 C CA . ALA C 1 39 ? -24.496 9.045 -2.891 1.00 64.59 ? 64 ALA X CA 1 ATOM 1865 C C . ALA C 1 39 ? -23.139 9.491 -3.444 1.00 64.87 ? 64 ALA X C 1 ATOM 1866 O O . ALA C 1 39 ? -22.592 8.851 -4.345 1.00 63.89 ? 64 ALA X O 1 ATOM 1867 C CB . ALA C 1 39 ? -25.479 10.228 -2.859 1.00 65.16 ? 64 ALA X CB 1 ATOM 1868 N N . ASN C 1 40 ? -22.604 10.583 -2.900 1.00 64.48 ? 65 ASN X N 1 ATOM 1869 C CA . ASN C 1 40 ? -21.363 11.173 -3.392 1.00 63.30 ? 65 ASN X CA 1 ATOM 1870 C C . ASN C 1 40 ? -20.406 11.447 -2.247 1.00 62.85 ? 65 ASN X C 1 ATOM 1871 O O . ASN C 1 40 ? -20.830 11.768 -1.133 1.00 64.57 ? 65 ASN X O 1 ATOM 1872 C CB . ASN C 1 40 ? -21.651 12.479 -4.142 1.00 64.61 ? 65 ASN X CB 1 ATOM 1873 C CG . ASN C 1 40 ? -22.416 12.259 -5.438 1.00 66.13 ? 65 ASN X CG 1 ATOM 1874 O OD1 . ASN C 1 40 ? -23.363 12.988 -5.744 1.00 67.34 ? 65 ASN X OD1 1 ATOM 1875 N ND2 . ASN C 1 40 ? -22.007 11.255 -6.208 1.00 66.11 ? 65 ASN X ND2 1 ATOM 1876 N N . ARG C 1 41 ? -19.112 11.324 -2.529 1.00 61.04 ? 66 ARG X N 1 ATOM 1877 C CA . ARG C 1 41 ? -18.084 11.568 -1.533 1.00 59.09 ? 66 ARG X CA 1 ATOM 1878 C C . ARG C 1 41 ? -17.975 13.073 -1.289 1.00 57.94 ? 66 ARG X C 1 ATOM 1879 O O . ARG C 1 41 ? -17.688 13.826 -2.218 1.00 57.03 ? 66 ARG X O 1 ATOM 1880 C CB . ARG C 1 41 ? -16.733 10.996 -1.981 1.00 58.84 ? 66 ARG X CB 1 ATOM 1881 C CG . ARG C 1 41 ? -15.765 10.750 -0.824 1.00 60.73 ? 66 ARG X CG 1 ATOM 1882 C CD . ARG C 1 41 ? -14.398 10.291 -1.305 1.00 60.90 ? 66 ARG X CD 1 ATOM 1883 N NE . ARG C 1 41 ? -13.616 11.396 -1.855 1.00 61.62 ? 66 ARG X NE 1 ATOM 1884 C CZ . ARG C 1 41 ? -12.419 11.269 -2.422 1.00 61.26 ? 66 ARG X CZ 1 ATOM 1885 N NH1 . ARG C 1 41 ? -11.841 10.077 -2.524 1.00 61.13 ? 66 ARG X NH1 1 ATOM 1886 N NH2 . ARG C 1 41 ? -11.794 12.344 -2.892 1.00 61.48 ? 66 ARG X NH2 1 ATOM 1887 N N . PRO C 1 42 ? -18.209 13.516 -0.039 1.00 56.87 ? 67 PRO X N 1 ATOM 1888 C CA . PRO C 1 42 ? -18.136 14.937 0.280 1.00 55.16 ? 67 PRO X CA 1 ATOM 1889 C C . PRO C 1 42 ? -16.703 15.448 0.340 1.00 52.99 ? 67 PRO X C 1 ATOM 1890 O O . PRO C 1 42 ? -15.772 14.652 0.424 1.00 54.40 ? 67 PRO X O 1 ATOM 1891 C CB . PRO C 1 42 ? -18.767 15.003 1.669 1.00 56.18 ? 67 PRO X CB 1 ATOM 1892 C CG . PRO C 1 42 ? -18.450 13.694 2.275 1.00 56.15 ? 67 PRO X CG 1 ATOM 1893 C CD . PRO C 1 42 ? -18.537 12.709 1.152 1.00 56.34 ? 67 PRO X CD 1 ATOM 1894 N N . HIS C 1 43 ? -16.533 16.766 0.289 1.00 54.21 ? 68 HIS X N 1 ATOM 1895 C CA . HIS C 1 43 ? -15.221 17.370 0.496 1.00 54.53 ? 68 HIS X CA 1 ATOM 1896 C C . HIS C 1 43 ? -14.914 17.356 1.985 1.00 54.11 ? 68 HIS X C 1 ATOM 1897 O O . HIS C 1 43 ? -15.698 17.858 2.789 1.00 54.63 ? 68 HIS X O 1 ATOM 1898 C CB . HIS C 1 43 ? -15.162 18.803 -0.035 1.00 56.08 ? 68 HIS X CB 1 ATOM 1899 C CG . HIS C 1 43 ? -13.787 19.396 0.008 1.00 56.87 ? 68 HIS X CG 1 ATOM 1900 N ND1 . HIS C 1 43 ? -13.469 20.487 0.789 1.00 57.23 ? 68 HIS X ND1 1 ATOM 1901 C CD2 . HIS C 1 43 ? -12.641 19.031 -0.613 1.00 57.37 ? 68 HIS X CD2 1 ATOM 1902 C CE1 . HIS C 1 43 ? -12.188 20.776 0.637 1.00 57.90 ? 68 HIS X CE1 1 ATOM 1903 N NE2 . HIS C 1 43 ? -11.663 19.907 -0.209 1.00 57.92 ? 68 HIS X NE2 1 ATOM 1904 N N . VAL C 1 44 ? -13.773 16.779 2.345 1.00 52.95 ? 69 VAL X N 1 ATOM 1905 C CA . VAL C 1 44 ? -13.415 16.581 3.741 1.00 52.10 ? 69 VAL X CA 1 ATOM 1906 C C . VAL C 1 44 ? -12.038 17.181 4.022 1.00 49.83 ? 69 VAL X C 1 ATOM 1907 O O . VAL C 1 44 ? -11.102 17.006 3.242 1.00 49.83 ? 69 VAL X O 1 ATOM 1908 C CB . VAL C 1 44 ? -13.419 15.081 4.085 1.00 53.86 ? 69 VAL X CB 1 ATOM 1909 C CG1 . VAL C 1 44 ? -13.205 14.857 5.575 1.00 52.79 ? 69 VAL X CG1 1 ATOM 1910 C CG2 . VAL C 1 44 ? -14.728 14.438 3.621 1.00 55.07 ? 69 VAL X CG2 1 ATOM 1911 N N . THR C 1 45 ? -11.921 17.887 5.141 1.00 48.56 ? 70 THR X N 1 ATOM 1912 C CA . THR C 1 45 ? -10.668 18.519 5.518 1.00 51.23 ? 70 THR X CA 1 ATOM 1913 C C . THR C 1 45 ? -10.391 18.271 6.991 1.00 52.72 ? 70 THR X C 1 ATOM 1914 O O . THR C 1 45 ? -11.317 18.052 7.765 1.00 51.83 ? 70 THR X O 1 ATOM 1915 C CB . THR C 1 45 ? -10.714 20.037 5.281 1.00 52.46 ? 70 THR X CB 1 ATOM 1916 O OG1 . THR C 1 45 ? -11.641 20.632 6.193 1.00 53.57 ? 70 THR X OG1 1 ATOM 1917 C CG2 . THR C 1 45 ? -11.141 20.359 3.849 1.00 52.30 ? 70 THR X CG2 1 ATOM 1918 N N . TRP C 1 46 ? -9.107 18.289 7.351 1.00 54.67 ? 71 TRP X N 1 ATOM 1919 C CA . TRP C 1 46 ? -8.646 18.256 8.738 1.00 52.37 ? 71 TRP X CA 1 ATOM 1920 C C . TRP C 1 46 ? -8.168 19.649 9.113 1.00 52.04 ? 71 TRP X C 1 ATOM 1921 O O . TRP C 1 46 ? -7.696 20.398 8.263 1.00 51.82 ? 71 TRP X O 1 ATOM 1922 C CB . TRP C 1 46 ? -7.459 17.308 8.903 1.00 52.97 ? 71 TRP X CB 1 ATOM 1923 C CG . TRP C 1 46 ? -7.807 15.884 9.131 1.00 53.80 ? 71 TRP X CG 1 ATOM 1924 C CD1 . TRP C 1 46 ? -7.719 14.866 8.230 1.00 53.92 ? 71 TRP X CD1 1 ATOM 1925 C CD2 . TRP C 1 46 ? -8.265 15.301 10.354 1.00 52.99 ? 71 TRP X CD2 1 ATOM 1926 N NE1 . TRP C 1 46 ? -8.103 13.686 8.813 1.00 53.93 ? 71 TRP X NE1 1 ATOM 1927 C CE2 . TRP C 1 46 ? -8.445 13.927 10.118 1.00 52.35 ? 71 TRP X CE2 1 ATOM 1928 C CE3 . TRP C 1 46 ? -8.549 15.811 11.624 1.00 53.13 ? 71 TRP X CE3 1 ATOM 1929 C CZ2 . TRP C 1 46 ? -8.894 13.054 11.102 1.00 53.27 ? 71 TRP X CZ2 1 ATOM 1930 C CZ3 . TRP C 1 46 ? -9.002 14.949 12.597 1.00 53.90 ? 71 TRP X CZ3 1 ATOM 1931 C CH2 . TRP C 1 46 ? -9.174 13.582 12.332 1.00 53.97 ? 71 TRP X CH2 1 ATOM 1932 N N . CYS C 1 47 ? -8.247 19.976 10.393 1.00 53.78 ? 72 CYS X N 1 ATOM 1933 C CA . CYS C 1 47 ? -7.706 21.233 10.883 1.00 55.00 ? 72 CYS X CA 1 ATOM 1934 C C . CYS C 1 47 ? -7.290 21.107 12.347 1.00 54.69 ? 72 CYS X C 1 ATOM 1935 O O . CYS C 1 47 ? -7.888 20.341 13.102 1.00 51.13 ? 72 CYS X O 1 ATOM 1936 C CB . CYS C 1 47 ? -8.731 22.355 10.697 1.00 57.17 ? 72 CYS X CB 1 ATOM 1937 S SG . CYS C 1 47 ? -10.312 22.074 11.493 1.00 59.62 ? 72 CYS X SG 1 ATOM 1938 N N . LYS C 1 48 ? -6.252 21.852 12.727 1.00 56.54 ? 73 LYS X N 1 ATOM 1939 C CA . LYS C 1 48 ? -5.765 21.890 14.106 1.00 57.14 ? 73 LYS X CA 1 ATOM 1940 C C . LYS C 1 48 ? -6.393 23.075 14.836 1.00 57.09 ? 73 LYS X C 1 ATOM 1941 O O . LYS C 1 48 ? -6.308 24.211 14.368 1.00 57.98 ? 73 LYS X O 1 ATOM 1942 C CB . LYS C 1 48 ? -4.237 22.004 14.129 1.00 57.21 ? 73 LYS X CB 1 ATOM 1943 C CG . LYS C 1 48 ? -3.631 22.036 15.532 1.00 57.54 ? 73 LYS X CG 1 ATOM 1944 C CD . LYS C 1 48 ? -2.133 21.743 15.519 1.00 57.82 ? 73 LYS X CD 1 ATOM 1945 C CE . LYS C 1 48 ? -1.579 21.633 16.934 1.00 57.54 ? 73 LYS X CE 1 ATOM 1946 N NZ . LYS C 1 48 ? -0.184 21.113 16.955 1.00 57.10 ? 73 LYS X NZ 1 ATOM 1947 N N . LEU C 1 49 ? -7.014 22.803 15.983 1.00 57.39 ? 74 LEU X N 1 ATOM 1948 C CA . LEU C 1 49 ? -7.733 23.828 16.750 1.00 60.04 ? 74 LEU X CA 1 ATOM 1949 C C . LEU C 1 49 ? -6.784 24.757 17.513 1.00 60.33 ? 74 LEU X C 1 ATOM 1950 O O . LEU C 1 49 ? -5.751 24.317 18.015 1.00 60.77 ? 74 LEU X O 1 ATOM 1951 C CB . LEU C 1 49 ? -8.682 23.165 17.752 1.00 60.14 ? 74 LEU X CB 1 ATOM 1952 C CG . LEU C 1 49 ? -9.815 22.307 17.185 1.00 59.76 ? 74 LEU X CG 1 ATOM 1953 C CD1 . LEU C 1 49 ? -10.207 21.211 18.170 1.00 59.14 ? 74 LEU X CD1 1 ATOM 1954 C CD2 . LEU C 1 49 ? -11.019 23.172 16.819 1.00 60.03 ? 74 LEU X CD2 1 ATOM 1955 N N . ASN C 1 50 ? -7.150 26.034 17.606 1.00 61.09 ? 75 ASN X N 1 ATOM 1956 C CA . ASN C 1 50 ? -6.405 27.001 18.419 1.00 63.11 ? 75 ASN X CA 1 ATOM 1957 C C . ASN C 1 50 ? -7.267 27.630 19.520 1.00 64.74 ? 75 ASN X C 1 ATOM 1958 O O . ASN C 1 50 ? -6.882 28.639 20.112 1.00 66.28 ? 75 ASN X O 1 ATOM 1959 C CB . ASN C 1 50 ? -5.793 28.093 17.530 1.00 64.18 ? 75 ASN X CB 1 ATOM 1960 C CG . ASN C 1 50 ? -6.842 28.986 16.880 1.00 64.63 ? 75 ASN X CG 1 ATOM 1961 O OD1 . ASN C 1 50 ? -7.967 29.104 17.366 1.00 65.15 ? 75 ASN X OD1 1 ATOM 1962 N ND2 . ASN C 1 50 ? -6.473 29.618 15.771 1.00 64.21 ? 75 ASN X ND2 1 ATOM 1963 N N . GLY C 1 51 ? -8.427 27.031 19.788 1.00 65.63 ? 76 GLY X N 1 ATOM 1964 C CA . GLY C 1 51 ? -9.363 27.549 20.785 1.00 64.38 ? 76 GLY X CA 1 ATOM 1965 C C . GLY C 1 51 ? -10.455 28.383 20.146 1.00 63.37 ? 76 GLY X C 1 ATOM 1966 O O . GLY C 1 51 ? -11.638 28.070 20.270 1.00 62.46 ? 76 GLY X O 1 ATOM 1967 N N . THR C 1 52 ? -10.054 29.448 19.461 1.00 63.27 ? 77 THR X N 1 ATOM 1968 C CA . THR C 1 52 ? -10.995 30.343 18.791 1.00 63.27 ? 77 THR X CA 1 ATOM 1969 C C . THR C 1 52 ? -11.515 29.724 17.498 1.00 62.60 ? 77 THR X C 1 ATOM 1970 O O . THR C 1 52 ? -12.724 29.665 17.274 1.00 61.46 ? 77 THR X O 1 ATOM 1971 C CB . THR C 1 52 ? -10.338 31.708 18.445 1.00 62.75 ? 77 THR X CB 1 ATOM 1972 O OG1 . THR C 1 52 ? -9.483 32.125 19.515 1.00 62.84 ? 77 THR X OG1 1 ATOM 1973 C CG2 . THR C 1 52 ? -11.398 32.781 18.191 1.00 62.88 ? 77 THR X CG2 1 ATOM 1974 N N . THR C 1 53 ? -10.591 29.259 16.658 1.00 63.03 ? 78 THR X N 1 ATOM 1975 C CA . THR C 1 53 ? -10.906 28.854 15.289 1.00 64.79 ? 78 THR X CA 1 ATOM 1976 C C . THR C 1 53 ? -10.008 27.717 14.796 1.00 66.32 ? 78 THR X C 1 ATOM 1977 O O . THR C 1 53 ? -8.846 27.617 15.184 1.00 66.82 ? 78 THR X O 1 ATOM 1978 C CB . THR C 1 53 ? -10.733 30.042 14.328 1.00 66.00 ? 78 THR X CB 1 ATOM 1979 O OG1 . THR C 1 53 ? -9.515 30.729 14.644 1.00 66.43 ? 78 THR X OG1 1 ATOM 1980 C CG2 . THR C 1 53 ? -11.908 31.018 14.436 1.00 66.08 ? 78 THR X CG2 1 ATOM 1981 N N . CYS C 1 54 ? -10.551 26.876 13.918 1.00 67.12 ? 79 CYS X N 1 ATOM 1982 C CA . CYS C 1 54 ? -9.822 25.727 13.382 1.00 66.64 ? 79 CYS X CA 1 ATOM 1983 C C . CYS C 1 54 ? -9.083 26.125 12.103 1.00 66.80 ? 79 CYS X C 1 ATOM 1984 O O . CYS C 1 54 ? -9.676 26.723 11.209 1.00 68.09 ? 79 CYS X O 1 ATOM 1985 C CB . CYS C 1 54 ? -10.789 24.573 13.103 1.00 65.80 ? 79 CYS X CB 1 ATOM 1986 S SG . CYS C 1 54 ? -10.058 22.930 13.313 1.00 66.01 ? 79 CYS X SG 1 ATOM 1987 N N . VAL C 1 55 ? -7.794 25.793 12.028 1.00 67.83 ? 80 VAL X N 1 ATOM 1988 C CA . VAL C 1 55 ? -6.946 26.154 10.883 1.00 68.73 ? 80 VAL X CA 1 ATOM 1989 C C . VAL C 1 55 ? -6.515 24.892 10.137 1.00 69.42 ? 80 VAL X C 1 ATOM 1990 O O . VAL C 1 55 ? -5.946 23.975 10.730 1.00 69.94 ? 80 VAL X O 1 ATOM 1991 C CB . VAL C 1 55 ? -5.699 27.004 11.306 1.00 67.93 ? 80 VAL X CB 1 ATOM 1992 C CG1 . VAL C 1 55 ? -4.986 26.410 12.518 1.00 68.80 ? 80 VAL X CG1 1 ATOM 1993 C CG2 . VAL C 1 55 ? -4.725 27.168 10.142 1.00 67.76 ? 80 VAL X CG2 1 ATOM 1994 N N . LYS C 1 56 ? -6.787 24.858 8.834 1.00 71.14 ? 81 LYS X N 1 ATOM 1995 C CA . LYS C 1 56 ? -6.582 23.653 8.025 1.00 72.79 ? 81 LYS X CA 1 ATOM 1996 C C . LYS C 1 56 ? -5.108 23.306 7.874 1.00 73.97 ? 81 LYS X C 1 ATOM 1997 O O . LYS C 1 56 ? -4.233 24.155 8.053 1.00 73.48 ? 81 LYS X O 1 ATOM 1998 C CB . LYS C 1 56 ? -7.219 23.813 6.639 1.00 72.57 ? 81 LYS X CB 1 ATOM 1999 C CG . LYS C 1 56 ? -8.738 23.972 6.656 1.00 72.62 ? 81 LYS X CG 1 ATOM 2000 C CD . LYS C 1 56 ? -9.226 24.790 5.461 1.00 73.21 ? 81 LYS X CD 1 ATOM 2001 C CE . LYS C 1 56 ? -10.724 25.043 5.530 1.00 73.31 ? 81 LYS X CE 1 ATOM 2002 N NZ . LYS C 1 56 ? -11.142 26.157 4.637 1.00 72.58 ? 81 LYS X NZ 1 ATOM 2003 N N . LEU C 1 57 ? -4.849 22.046 7.541 1.00 76.57 ? 82 LEU X N 1 ATOM 2004 C CA . LEU C 1 57 ? -3.491 21.541 7.391 1.00 78.15 ? 82 LEU X CA 1 ATOM 2005 C C . LEU C 1 57 ? -3.183 21.258 5.924 1.00 80.07 ? 82 LEU X C 1 ATOM 2006 O O . LEU C 1 57 ? -3.760 20.346 5.322 1.00 80.39 ? 82 LEU X O 1 ATOM 2007 C CB . LEU C 1 57 ? -3.315 20.272 8.222 1.00 78.97 ? 82 LEU X CB 1 ATOM 2008 C CG . LEU C 1 57 ? -3.486 20.478 9.732 1.00 79.92 ? 82 LEU X CG 1 ATOM 2009 C CD1 . LEU C 1 57 ? -3.655 19.153 10.442 1.00 79.58 ? 82 LEU X CD1 1 ATOM 2010 C CD2 . LEU C 1 57 ? -2.312 21.261 10.324 1.00 80.33 ? 82 LEU X CD2 1 ATOM 2011 N N . GLU C 1 58 ? -2.287 22.062 5.355 1.00 80.30 ? 83 GLU X N 1 ATOM 2012 C CA . GLU C 1 58 ? -1.800 21.860 3.991 1.00 80.19 ? 83 GLU X CA 1 ATOM 2013 C C . GLU C 1 58 ? -0.308 21.498 3.942 1.00 80.68 ? 83 GLU X C 1 ATOM 2014 O O . GLU C 1 58 ? 0.186 21.070 2.899 1.00 80.84 ? 83 GLU X O 1 ATOM 2015 C CB . GLU C 1 58 ? -2.076 23.108 3.149 1.00 80.60 ? 83 GLU X CB 1 ATOM 2016 C CG . GLU C 1 58 ? -3.552 23.298 2.813 1.00 80.63 ? 83 GLU X CG 1 ATOM 2017 C CD . GLU C 1 58 ? -3.860 24.672 2.247 1.00 80.80 ? 83 GLU X CD 1 ATOM 2018 O OE1 . GLU C 1 58 ? -3.518 25.680 2.900 1.00 81.09 ? 83 GLU X OE1 1 ATOM 2019 O OE2 . GLU C 1 58 ? -4.457 24.746 1.152 1.00 81.63 ? 83 GLU X OE2 1 ATOM 2020 N N . ASP C 1 59 ? 0.401 21.666 5.060 1.00 80.86 ? 84 ASP X N 1 ATOM 2021 C CA . ASP C 1 59 ? 1.814 21.287 5.148 1.00 80.29 ? 84 ASP X CA 1 ATOM 2022 C C . ASP C 1 59 ? 1.971 19.763 5.222 1.00 80.69 ? 84 ASP X C 1 ATOM 2023 O O . ASP C 1 59 ? 2.840 19.194 4.558 1.00 81.33 ? 84 ASP X O 1 ATOM 2024 C CB . ASP C 1 59 ? 2.474 21.954 6.354 1.00 80.62 ? 84 ASP X CB 1 ATOM 2025 N N . ARG C 1 60 ? 1.131 19.116 6.034 1.00 79.30 ? 85 ARG X N 1 ATOM 2026 C CA . ARG C 1 60 ? 1.080 17.649 6.106 1.00 77.06 ? 85 ARG X CA 1 ATOM 2027 C C . ARG C 1 60 ? 0.109 17.099 5.068 1.00 74.87 ? 85 ARG X C 1 ATOM 2028 O O . ARG C 1 60 ? -0.862 17.769 4.699 1.00 75.54 ? 85 ARG X O 1 ATOM 2029 C CB . ARG C 1 60 ? 0.671 17.168 7.506 1.00 79.52 ? 85 ARG X CB 1 ATOM 2030 C CG . ARG C 1 60 ? 1.829 16.698 8.373 1.00 80.31 ? 85 ARG X CG 1 ATOM 2031 C CD . ARG C 1 60 ? 2.405 17.806 9.238 1.00 81.16 ? 85 ARG X CD 1 ATOM 2032 N NE . ARG C 1 60 ? 3.520 17.290 10.030 1.00 81.62 ? 85 ARG X NE 1 ATOM 2033 C CZ . ARG C 1 60 ? 4.099 17.926 11.045 1.00 82.31 ? 85 ARG X CZ 1 ATOM 2034 N NH1 . ARG C 1 60 ? 3.679 19.130 11.427 1.00 83.08 ? 85 ARG X NH1 1 ATOM 2035 N NH2 . ARG C 1 60 ? 5.108 17.349 11.689 1.00 81.94 ? 85 ARG X NH2 1 ATOM 2036 N N . GLN C 1 61 ? 0.370 15.876 4.608 1.00 71.14 ? 86 GLN X N 1 ATOM 2037 C CA . GLN C 1 61 ? -0.404 15.288 3.513 1.00 68.23 ? 86 GLN X CA 1 ATOM 2038 C C . GLN C 1 61 ? -1.525 14.387 4.011 1.00 64.65 ? 86 GLN X C 1 ATOM 2039 O O . GLN C 1 61 ? -1.401 13.722 5.038 1.00 64.37 ? 86 GLN X O 1 ATOM 2040 C CB . GLN C 1 61 ? 0.506 14.515 2.550 1.00 68.51 ? 86 GLN X CB 1 ATOM 2041 C CG . GLN C 1 61 ? 1.531 15.388 1.793 1.00 69.25 ? 86 GLN X CG 1 ATOM 2042 C CD . GLN C 1 61 ? 0.907 16.362 0.787 1.00 68.18 ? 86 GLN X CD 1 ATOM 2043 O OE1 . GLN C 1 61 ? -0.315 16.441 0.637 1.00 67.51 ? 86 GLN X OE1 1 ATOM 2044 N NE2 . GLN C 1 61 ? 1.758 17.106 0.093 1.00 67.63 ? 86 GLN X NE2 1 ATOM 2045 N N . THR C 1 62 ? -2.619 14.382 3.256 1.00 61.77 ? 87 THR X N 1 ATOM 2046 C CA . THR C 1 62 ? -3.814 13.623 3.586 1.00 59.74 ? 87 THR X CA 1 ATOM 2047 C C . THR C 1 62 ? -4.047 12.532 2.547 1.00 56.02 ? 87 THR X C 1 ATOM 2048 O O . THR C 1 62 ? -3.495 12.592 1.453 1.00 57.32 ? 87 THR X O 1 ATOM 2049 C CB . THR C 1 62 ? -5.048 14.545 3.615 1.00 59.86 ? 87 THR X CB 1 ATOM 2050 O OG1 . THR C 1 62 ? -5.146 15.257 2.376 1.00 58.96 ? 87 THR X OG1 1 ATOM 2051 C CG2 . THR C 1 62 ? -4.943 15.548 4.752 1.00 60.05 ? 87 THR X CG2 1 ATOM 2052 N N . SER C 1 63 ? -4.862 11.539 2.889 1.00 53.56 ? 88 SER X N 1 ATOM 2053 C CA . SER C 1 63 ? -5.246 10.498 1.934 1.00 53.34 ? 88 SER X CA 1 ATOM 2054 C C . SER C 1 63 ? -6.580 9.842 2.306 1.00 53.08 ? 88 SER X C 1 ATOM 2055 O O . SER C 1 63 ? -7.216 10.222 3.292 1.00 53.43 ? 88 SER X O 1 ATOM 2056 C CB . SER C 1 63 ? -4.137 9.448 1.807 1.00 50.91 ? 88 SER X CB 1 ATOM 2057 O OG . SER C 1 63 ? -4.216 8.475 2.829 1.00 51.25 ? 88 SER X OG 1 ATOM 2058 N N . TRP C 1 64 ? -6.993 8.866 1.498 1.00 51.92 ? 89 TRP X N 1 ATOM 2059 C CA . TRP C 1 64 ? -8.258 8.157 1.681 1.00 51.58 ? 89 TRP X CA 1 ATOM 2060 C C . TRP C 1 64 ? -8.032 6.652 1.778 1.00 52.08 ? 89 TRP X C 1 ATOM 2061 O O . TRP C 1 64 ? -7.206 6.101 1.054 1.00 50.73 ? 89 TRP X O 1 ATOM 2062 C CB . TRP C 1 64 ? -9.189 8.425 0.495 1.00 47.65 ? 89 TRP X CB 1 ATOM 2063 C CG . TRP C 1 64 ? -9.970 9.697 0.579 1.00 47.50 ? 89 TRP X CG 1 ATOM 2064 C CD1 . TRP C 1 64 ? -9.704 10.875 -0.067 1.00 47.04 ? 89 TRP X CD1 1 ATOM 2065 C CD2 . TRP C 1 64 ? -11.167 9.916 1.333 1.00 46.40 ? 89 TRP X CD2 1 ATOM 2066 N NE1 . TRP C 1 64 ? -10.658 11.814 0.249 1.00 46.39 ? 89 TRP X NE1 1 ATOM 2067 C CE2 . TRP C 1 64 ? -11.568 11.249 1.105 1.00 46.15 ? 89 TRP X CE2 1 ATOM 2068 C CE3 . TRP C 1 64 ? -11.936 9.115 2.182 1.00 45.70 ? 89 TRP X CE3 1 ATOM 2069 C CZ2 . TRP C 1 64 ? -12.703 11.799 1.700 1.00 46.53 ? 89 TRP X CZ2 1 ATOM 2070 C CZ3 . TRP C 1 64 ? -13.062 9.658 2.767 1.00 46.57 ? 89 TRP X CZ3 1 ATOM 2071 C CH2 . TRP C 1 64 ? -13.436 10.990 2.523 1.00 46.76 ? 89 TRP X CH2 1 ATOM 2072 N N . LYS C 1 65 ? -8.776 5.995 2.663 1.00 55.10 ? 90 LYS X N 1 ATOM 2073 C CA . LYS C 1 65 ? -8.831 4.534 2.709 1.00 56.69 ? 90 LYS X CA 1 ATOM 2074 C C . LYS C 1 65 ? -10.294 4.127 2.583 1.00 57.66 ? 90 LYS X C 1 ATOM 2075 O O . LYS C 1 65 ? -11.111 4.491 3.427 1.00 58.90 ? 90 LYS X O 1 ATOM 2076 C CB . LYS C 1 65 ? -8.220 4.003 4.013 1.00 57.16 ? 90 LYS X CB 1 ATOM 2077 C CG . LYS C 1 65 ? -8.151 2.471 4.123 1.00 57.60 ? 90 LYS X CG 1 ATOM 2078 C CD . LYS C 1 65 ? -7.392 1.999 5.387 1.00 59.04 ? 90 LYS X CD 1 ATOM 2079 C CE . LYS C 1 65 ? -8.287 1.951 6.645 1.00 58.91 ? 90 LYS X CE 1 ATOM 2080 N NZ . LYS C 1 65 ? -7.495 1.905 7.922 1.00 56.89 ? 90 LYS X NZ 1 ATOM 2081 N N . GLU C 1 66 ? -10.623 3.410 1.510 1.00 58.85 ? 91 GLU X N 1 ATOM 2082 C CA . GLU C 1 66 ? -11.988 2.941 1.269 1.00 59.96 ? 91 GLU X CA 1 ATOM 2083 C C . GLU C 1 66 ? -12.191 1.566 1.891 1.00 62.26 ? 91 GLU X C 1 ATOM 2084 O O . GLU C 1 66 ? -11.450 0.632 1.583 1.00 63.42 ? 91 GLU X O 1 ATOM 2085 C CB . GLU C 1 66 ? -12.272 2.823 -0.229 1.00 59.77 ? 91 GLU X CB 1 ATOM 2086 C CG . GLU C 1 66 ? -12.411 4.127 -0.995 1.00 60.81 ? 91 GLU X CG 1 ATOM 2087 C CD . GLU C 1 66 ? -12.711 3.893 -2.479 1.00 60.94 ? 91 GLU X CD 1 ATOM 2088 O OE1 . GLU C 1 66 ? -11.961 3.128 -3.134 1.00 62.10 ? 91 GLU X OE1 1 ATOM 2089 O OE2 . GLU C 1 66 ? -13.695 4.472 -2.995 1.00 61.45 ? 91 GLU X OE2 1 ATOM 2090 N N . GLU C 1 67 ? -13.188 1.442 2.765 1.00 63.25 ? 92 GLU X N 1 ATOM 2091 C CA . GLU C 1 67 ? -13.668 0.135 3.221 1.00 62.84 ? 92 GLU X CA 1 ATOM 2092 C C . GLU C 1 67 ? -15.087 -0.065 2.689 1.00 64.69 ? 92 GLU X C 1 ATOM 2093 O O . GLU C 1 67 ? -15.685 0.859 2.129 1.00 64.46 ? 92 GLU X O 1 ATOM 2094 C CB . GLU C 1 67 ? -13.619 0.020 4.759 1.00 62.68 ? 92 GLU X CB 1 ATOM 2095 C CG . GLU C 1 67 ? -12.457 -0.829 5.294 1.00 62.28 ? 92 GLU X CG 1 ATOM 2096 C CD . GLU C 1 67 ? -12.270 -0.727 6.807 1.00 61.60 ? 92 GLU X CD 1 ATOM 2097 O OE1 . GLU C 1 67 ? -13.283 -0.653 7.535 1.00 61.67 ? 92 GLU X OE1 1 ATOM 2098 O OE2 . GLU C 1 67 ? -11.105 -0.738 7.269 1.00 59.37 ? 92 GLU X OE2 1 ATOM 2099 N N . LYS C 1 68 ? -15.613 -1.278 2.836 1.00 66.28 ? 93 LYS X N 1 ATOM 2100 C CA . LYS C 1 68 ? -16.997 -1.564 2.466 1.00 64.71 ? 93 LYS X CA 1 ATOM 2101 C C . LYS C 1 68 ? -17.912 -0.965 3.529 1.00 64.81 ? 93 LYS X C 1 ATOM 2102 O O . LYS C 1 68 ? -17.810 -1.315 4.706 1.00 64.29 ? 93 LYS X O 1 ATOM 2103 C CB . LYS C 1 68 ? -17.221 -3.064 2.349 1.00 64.81 ? 93 LYS X CB 1 ATOM 2104 N N . ASN C 1 69 ? -18.777 -0.043 3.108 1.00 64.56 ? 94 ASN X N 1 ATOM 2105 C CA . ASN C 1 69 ? -19.725 0.661 3.999 1.00 63.91 ? 94 ASN X CA 1 ATOM 2106 C C . ASN C 1 69 ? -19.147 1.801 4.855 1.00 60.72 ? 94 ASN X C 1 ATOM 2107 O O . ASN C 1 69 ? -19.897 2.455 5.571 1.00 59.45 ? 94 ASN X O 1 ATOM 2108 C CB . ASN C 1 69 ? -20.497 -0.319 4.897 1.00 65.48 ? 94 ASN X CB 1 ATOM 2109 C CG . ASN C 1 69 ? -21.190 -1.404 4.105 1.00 67.12 ? 94 ASN X CG 1 ATOM 2110 O OD1 . ASN C 1 69 ? -22.007 -1.117 3.222 1.00 69.95 ? 94 ASN X OD1 1 ATOM 2111 N ND2 . ASN C 1 69 ? -20.868 -2.661 4.414 1.00 67.35 ? 94 ASN X ND2 1 ATOM 2112 N N . ILE C 1 70 ? -17.842 2.055 4.777 1.00 59.83 ? 95 ILE X N 1 ATOM 2113 C CA . ILE C 1 70 ? -17.257 3.223 5.457 1.00 59.42 ? 95 ILE X CA 1 ATOM 2114 C C . ILE C 1 70 ? -15.878 3.613 4.914 1.00 55.51 ? 95 ILE X C 1 ATOM 2115 O O . ILE C 1 70 ? -15.055 2.756 4.604 1.00 54.14 ? 95 ILE X O 1 ATOM 2116 C CB . ILE C 1 70 ? -17.175 3.020 6.994 1.00 59.85 ? 95 ILE X CB 1 ATOM 2117 C CG1 . ILE C 1 70 ? -16.646 4.287 7.665 1.00 61.32 ? 95 ILE X CG1 1 ATOM 2118 C CG2 . ILE C 1 70 ? -16.315 1.815 7.347 1.00 58.96 ? 95 ILE X CG2 1 ATOM 2119 C CD1 . ILE C 1 70 ? -17.028 4.396 9.113 1.00 62.80 ? 95 ILE X CD1 1 ATOM 2120 N N . SER C 1 71 ? -15.647 4.919 4.810 1.00 53.18 ? 96 SER X N 1 ATOM 2121 C CA . SER C 1 71 ? -14.416 5.462 4.252 1.00 52.45 ? 96 SER X CA 1 ATOM 2122 C C . SER C 1 71 ? -13.670 6.236 5.326 1.00 51.03 ? 96 SER X C 1 ATOM 2123 O O . SER C 1 71 ? -14.284 6.778 6.244 1.00 52.20 ? 96 SER X O 1 ATOM 2124 C CB . SER C 1 71 ? -14.739 6.388 3.078 1.00 52.41 ? 96 SER X CB 1 ATOM 2125 O OG . SER C 1 71 ? -15.586 5.747 2.132 1.00 52.46 ? 96 SER X OG 1 ATOM 2126 N N . PHE C 1 72 ? -12.346 6.280 5.213 1.00 49.58 ? 97 PHE X N 1 ATOM 2127 C CA . PHE C 1 72 ? -11.518 7.024 6.157 1.00 49.02 ? 97 PHE X CA 1 ATOM 2128 C C . PHE C 1 72 ? -10.683 8.060 5.423 1.00 47.68 ? 97 PHE X C 1 ATOM 2129 O O . PHE C 1 72 ? -9.955 7.721 4.493 1.00 50.56 ? 97 PHE X O 1 ATOM 2130 C CB . PHE C 1 72 ? -10.602 6.072 6.932 1.00 48.45 ? 97 PHE X CB 1 ATOM 2131 C CG . PHE C 1 72 ? -11.347 5.052 7.744 1.00 49.14 ? 97 PHE X CG 1 ATOM 2132 C CD1 . PHE C 1 72 ? -11.826 3.891 7.151 1.00 46.60 ? 97 PHE X CD1 1 ATOM 2133 C CD2 . PHE C 1 72 ? -11.590 5.263 9.097 1.00 49.15 ? 97 PHE X CD2 1 ATOM 2134 C CE1 . PHE C 1 72 ? -12.526 2.950 7.893 1.00 46.98 ? 97 PHE X CE1 1 ATOM 2135 C CE2 . PHE C 1 72 ? -12.289 4.323 9.846 1.00 49.12 ? 97 PHE X CE2 1 ATOM 2136 C CZ . PHE C 1 72 ? -12.763 3.165 9.239 1.00 47.80 ? 97 PHE X CZ 1 ATOM 2137 N N . PHE C 1 73 ? -10.816 9.320 5.829 1.00 45.70 ? 98 PHE X N 1 ATOM 2138 C CA . PHE C 1 73 ? -9.926 10.395 5.388 1.00 46.45 ? 98 PHE X CA 1 ATOM 2139 C C . PHE C 1 73 ? -8.823 10.524 6.438 1.00 47.09 ? 98 PHE X C 1 ATOM 2140 O O . PHE C 1 73 ? -9.100 10.802 7.610 1.00 47.00 ? 98 PHE X O 1 ATOM 2141 C CB . PHE C 1 73 ? -10.703 11.707 5.237 1.00 42.51 ? 98 PHE X CB 1 ATOM 2142 C CG . PHE C 1 73 ? -9.904 12.827 4.629 1.00 43.42 ? 98 PHE X CG 1 ATOM 2143 C CD1 . PHE C 1 73 ? -9.401 12.718 3.337 1.00 42.31 ? 98 PHE X CD1 1 ATOM 2144 C CD2 . PHE C 1 73 ? -9.676 14.004 5.338 1.00 42.12 ? 98 PHE X CD2 1 ATOM 2145 C CE1 . PHE C 1 73 ? -8.671 13.750 2.770 1.00 40.94 ? 98 PHE X CE1 1 ATOM 2146 C CE2 . PHE C 1 73 ? -8.943 15.037 4.779 1.00 40.81 ? 98 PHE X CE2 1 ATOM 2147 C CZ . PHE C 1 73 ? -8.440 14.909 3.491 1.00 40.94 ? 98 PHE X CZ 1 ATOM 2148 N N . ILE C 1 74 ? -7.582 10.306 6.016 1.00 48.04 ? 99 ILE X N 1 ATOM 2149 C CA . ILE C 1 74 ? -6.475 10.117 6.946 1.00 48.66 ? 99 ILE X CA 1 ATOM 2150 C C . ILE C 1 74 ? -5.482 11.272 6.922 1.00 48.86 ? 99 ILE X C 1 ATOM 2151 O O . ILE C 1 74 ? -5.029 11.678 5.856 1.00 48.45 ? 99 ILE X O 1 ATOM 2152 C CB . ILE C 1 74 ? -5.706 8.827 6.620 1.00 49.16 ? 99 ILE X CB 1 ATOM 2153 C CG1 . ILE C 1 74 ? -6.636 7.616 6.716 1.00 50.12 ? 99 ILE X CG1 1 ATOM 2154 C CG2 . ILE C 1 74 ? -4.521 8.654 7.565 1.00 48.62 ? 99 ILE X CG2 1 ATOM 2155 C CD1 . ILE C 1 74 ? -6.110 6.388 6.005 1.00 49.68 ? 99 ILE X CD1 1 ATOM 2156 N N . LEU C 1 75 ? -5.130 11.773 8.105 1.00 49.16 ? 100 LEU X N 1 ATOM 2157 C CA . LEU C 1 75 ? -4.062 12.768 8.248 1.00 50.11 ? 100 LEU X CA 1 ATOM 2158 C C . LEU C 1 75 ? -2.739 12.084 8.619 1.00 50.34 ? 100 LEU X C 1 ATOM 2159 O O . LEU C 1 75 ? -2.685 11.336 9.593 1.00 47.86 ? 100 LEU X O 1 ATOM 2160 C CB . LEU C 1 75 ? -4.439 13.781 9.327 1.00 49.67 ? 100 LEU X CB 1 ATOM 2161 C CG . LEU C 1 75 ? -3.509 14.979 9.510 1.00 49.15 ? 100 LEU X CG 1 ATOM 2162 C CD1 . LEU C 1 75 ? -3.447 15.818 8.247 1.00 49.50 ? 100 LEU X CD1 1 ATOM 2163 C CD2 . LEU C 1 75 ? -3.976 15.811 10.684 1.00 49.59 ? 100 LEU X CD2 1 ATOM 2164 N N . HIS C 1 76 ? -1.677 12.350 7.856 1.00 50.21 ? 101 HIS X N 1 ATOM 2165 C CA . HIS C 1 76 ? -0.385 11.670 8.058 1.00 49.48 ? 101 HIS X CA 1 ATOM 2166 C C . HIS C 1 76 ? 0.646 12.527 8.798 1.00 48.57 ? 101 HIS X C 1 ATOM 2167 O O . HIS C 1 76 ? 0.895 13.666 8.418 1.00 50.55 ? 101 HIS X O 1 ATOM 2168 C CB . HIS C 1 76 ? 0.204 11.239 6.713 1.00 47.70 ? 101 HIS X CB 1 ATOM 2169 C CG . HIS C 1 76 ? -0.612 10.207 5.998 1.00 47.43 ? 101 HIS X CG 1 ATOM 2170 N ND1 . HIS C 1 76 ? -0.407 8.855 6.160 1.00 47.44 ? 101 HIS X ND1 1 ATOM 2171 C CD2 . HIS C 1 76 ? -1.629 10.331 5.112 1.00 47.34 ? 101 HIS X CD2 1 ATOM 2172 C CE1 . HIS C 1 76 ? -1.267 8.189 5.408 1.00 47.28 ? 101 HIS X CE1 1 ATOM 2173 N NE2 . HIS C 1 76 ? -2.018 9.061 4.760 1.00 45.47 ? 101 HIS X NE2 1 ATOM 2174 N N . PHE C 1 77 ? 1.239 11.964 9.848 1.00 46.68 ? 102 PHE X N 1 ATOM 2175 C CA . PHE C 1 77 ? 2.368 12.576 10.545 1.00 48.13 ? 102 PHE X CA 1 ATOM 2176 C C . PHE C 1 77 ? 3.598 11.716 10.269 1.00 47.13 ? 102 PHE X C 1 ATOM 2177 O O . PHE C 1 77 ? 3.671 10.572 10.713 1.00 45.95 ? 102 PHE X O 1 ATOM 2178 C CB . PHE C 1 77 ? 2.102 12.651 12.050 1.00 48.52 ? 102 PHE X CB 1 ATOM 2179 C CG . PHE C 1 77 ? 0.927 13.516 12.419 1.00 48.75 ? 102 PHE X CG 1 ATOM 2180 C CD1 . PHE C 1 77 ? -0.372 13.065 12.229 1.00 47.52 ? 102 PHE X CD1 1 ATOM 2181 C CD2 . PHE C 1 77 ? 1.120 14.781 12.963 1.00 49.16 ? 102 PHE X CD2 1 ATOM 2182 C CE1 . PHE C 1 77 ? -1.452 13.857 12.570 1.00 47.79 ? 102 PHE X CE1 1 ATOM 2183 C CE2 . PHE C 1 77 ? 0.039 15.582 13.304 1.00 48.21 ? 102 PHE X CE2 1 ATOM 2184 C CZ . PHE C 1 77 ? -1.248 15.117 13.109 1.00 48.03 ? 102 PHE X CZ 1 ATOM 2185 N N . GLU C 1 78 ? 4.551 12.264 9.522 1.00 48.03 ? 103 GLU X N 1 ATOM 2186 C CA . GLU C 1 78 ? 5.670 11.483 9.007 1.00 50.67 ? 103 GLU X CA 1 ATOM 2187 C C . GLU C 1 78 ? 6.970 12.281 9.117 1.00 50.50 ? 103 GLU X C 1 ATOM 2188 O O . GLU C 1 78 ? 7.449 12.837 8.130 1.00 50.05 ? 103 GLU X O 1 ATOM 2189 C CB . GLU C 1 78 ? 5.393 11.058 7.557 1.00 52.14 ? 103 GLU X CB 1 ATOM 2190 C CG . GLU C 1 78 ? 4.294 9.985 7.429 1.00 53.88 ? 103 GLU X CG 1 ATOM 2191 C CD . GLU C 1 78 ? 3.715 9.848 6.019 1.00 55.24 ? 103 GLU X CD 1 ATOM 2192 O OE1 . GLU C 1 78 ? 3.835 10.790 5.203 1.00 55.40 ? 103 GLU X OE1 1 ATOM 2193 O OE2 . GLU C 1 78 ? 3.111 8.790 5.730 1.00 58.49 ? 103 GLU X OE2 1 ATOM 2194 N N . PRO C 1 79 ? 7.540 12.354 10.332 1.00 50.93 ? 104 PRO X N 1 ATOM 2195 C CA . PRO C 1 79 ? 7.042 11.801 11.592 1.00 51.22 ? 104 PRO X CA 1 ATOM 2196 C C . PRO C 1 79 ? 6.238 12.812 12.418 1.00 50.11 ? 104 PRO X C 1 ATOM 2197 O O . PRO C 1 79 ? 5.989 13.927 11.966 1.00 52.14 ? 104 PRO X O 1 ATOM 2198 C CB . PRO C 1 79 ? 8.333 11.423 12.319 1.00 51.29 ? 104 PRO X CB 1 ATOM 2199 C CG . PRO C 1 79 ? 9.358 12.416 11.807 1.00 51.05 ? 104 PRO X CG 1 ATOM 2200 C CD . PRO C 1 79 ? 8.833 13.029 10.530 1.00 50.64 ? 104 PRO X CD 1 ATOM 2201 N N . VAL C 1 80 ? 5.839 12.414 13.619 1.00 48.01 ? 105 VAL X N 1 ATOM 2202 C CA . VAL C 1 80 ? 5.190 13.322 14.551 1.00 49.94 ? 105 VAL X CA 1 ATOM 2203 C C . VAL C 1 80 ? 6.235 14.248 15.161 1.00 49.63 ? 105 VAL X C 1 ATOM 2204 O O . VAL C 1 80 ? 7.192 13.775 15.771 1.00 50.15 ? 105 VAL X O 1 ATOM 2205 C CB . VAL C 1 80 ? 4.502 12.552 15.702 1.00 53.26 ? 105 VAL X CB 1 ATOM 2206 C CG1 . VAL C 1 80 ? 3.906 13.526 16.723 1.00 52.81 ? 105 VAL X CG1 1 ATOM 2207 C CG2 . VAL C 1 80 ? 3.422 11.595 15.162 1.00 53.87 ? 105 VAL X CG2 1 ATOM 2208 N N . LEU C 1 81 ? 6.058 15.558 14.989 1.00 50.07 ? 106 LEU X N 1 ATOM 2209 C CA . LEU C 1 81 ? 6.919 16.547 15.648 1.00 49.40 ? 106 LEU X CA 1 ATOM 2210 C C . LEU C 1 81 ? 6.400 16.822 17.057 1.00 48.15 ? 106 LEU X C 1 ATOM 2211 O O . LEU C 1 81 ? 5.226 16.603 17.337 1.00 45.36 ? 106 LEU X O 1 ATOM 2212 C CB . LEU C 1 81 ? 6.967 17.869 14.869 1.00 51.66 ? 106 LEU X CB 1 ATOM 2213 C CG . LEU C 1 81 ? 7.970 18.031 13.718 1.00 53.04 ? 106 LEU X CG 1 ATOM 2214 C CD1 . LEU C 1 81 ? 7.757 19.377 13.028 1.00 53.07 ? 106 LEU X CD1 1 ATOM 2215 C CD2 . LEU C 1 81 ? 9.417 17.924 14.210 1.00 53.72 ? 106 LEU X CD2 1 ATOM 2216 N N . PRO C 1 82 ? 7.273 17.313 17.953 1.00 48.84 ? 107 PRO X N 1 ATOM 2217 C CA . PRO C 1 82 ? 6.835 17.653 19.314 1.00 48.86 ? 107 PRO X CA 1 ATOM 2218 C C . PRO C 1 82 ? 5.696 18.677 19.379 1.00 49.28 ? 107 PRO X C 1 ATOM 2219 O O . PRO C 1 82 ? 4.843 18.585 20.261 1.00 49.50 ? 107 PRO X O 1 ATOM 2220 C CB . PRO C 1 82 ? 8.099 18.226 19.955 1.00 46.65 ? 107 PRO X CB 1 ATOM 2221 C CG . PRO C 1 82 ? 9.220 17.667 19.157 1.00 46.31 ? 107 PRO X CG 1 ATOM 2222 C CD . PRO C 1 82 ? 8.714 17.557 17.765 1.00 46.33 ? 107 PRO X CD 1 ATOM 2223 N N . ASN C 1 83 ? 5.680 19.633 18.452 1.00 49.57 ? 108 ASN X N 1 ATOM 2224 C CA . ASN C 1 83 ? 4.658 20.681 18.449 1.00 50.01 ? 108 ASN X CA 1 ATOM 2225 C C . ASN C 1 83 ? 3.304 20.239 17.909 1.00 49.78 ? 108 ASN X C 1 ATOM 2226 O O . ASN C 1 83 ? 2.338 20.995 17.987 1.00 48.81 ? 108 ASN X O 1 ATOM 2227 C CB . ASN C 1 83 ? 5.149 21.912 17.675 1.00 50.66 ? 108 ASN X CB 1 ATOM 2228 C CG . ASN C 1 83 ? 6.058 22.806 18.508 1.00 51.97 ? 108 ASN X CG 1 ATOM 2229 O OD1 . ASN C 1 83 ? 6.644 23.757 17.992 1.00 52.14 ? 108 ASN X OD1 1 ATOM 2230 N ND2 . ASN C 1 83 ? 6.171 22.511 19.803 1.00 51.89 ? 108 ASN X ND2 1 ATOM 2231 N N . ASP C 1 84 ? 3.226 19.019 17.379 1.00 51.19 ? 109 ASP X N 1 ATOM 2232 C CA . ASP C 1 84 ? 1.968 18.486 16.847 1.00 52.14 ? 109 ASP X CA 1 ATOM 2233 C C . ASP C 1 84 ? 0.924 18.182 17.927 1.00 53.21 ? 109 ASP X C 1 ATOM 2234 O O . ASP C 1 84 ? -0.217 17.848 17.605 1.00 52.40 ? 109 ASP X O 1 ATOM 2235 C CB . ASP C 1 84 ? 2.223 17.237 15.993 1.00 52.06 ? 109 ASP X CB 1 ATOM 2236 C CG . ASP C 1 84 ? 2.852 17.567 14.651 1.00 51.92 ? 109 ASP X CG 1 ATOM 2237 O OD1 . ASP C 1 84 ? 2.423 18.558 14.020 1.00 51.26 ? 109 ASP X OD1 1 ATOM 2238 O OD2 . ASP C 1 84 ? 3.763 16.829 14.221 1.00 51.83 ? 109 ASP X OD2 1 ATOM 2239 N N . ASN C 1 85 ? 1.313 18.292 19.197 1.00 55.80 ? 110 ASN X N 1 ATOM 2240 C CA . ASN C 1 85 ? 0.362 18.278 20.306 1.00 55.03 ? 110 ASN X CA 1 ATOM 2241 C C . ASN C 1 85 ? -0.809 19.244 20.057 1.00 54.88 ? 110 ASN X C 1 ATOM 2242 O O . ASN C 1 85 ? -0.618 20.334 19.514 1.00 55.15 ? 110 ASN X O 1 ATOM 2243 C CB . ASN C 1 85 ? 1.084 18.638 21.612 1.00 56.75 ? 110 ASN X CB 1 ATOM 2244 C CG . ASN C 1 85 ? 0.144 18.714 22.809 1.00 59.02 ? 110 ASN X CG 1 ATOM 2245 O OD1 . ASN C 1 85 ? -0.045 17.732 23.536 1.00 60.48 ? 110 ASN X OD1 1 ATOM 2246 N ND2 . ASN C 1 85 ? -0.451 19.885 23.016 1.00 60.65 ? 110 ASN X ND2 1 ATOM 2247 N N . GLY C 1 86 ? -2.012 18.832 20.450 1.00 52.64 ? 111 GLY X N 1 ATOM 2248 C CA . GLY C 1 86 ? -3.212 19.655 20.288 1.00 52.94 ? 111 GLY X CA 1 ATOM 2249 C C . GLY C 1 86 ? -4.425 18.848 19.856 1.00 52.43 ? 111 GLY X C 1 ATOM 2250 O O . GLY C 1 86 ? -4.369 17.616 19.774 1.00 52.07 ? 111 GLY X O 1 ATOM 2251 N N . SER C 1 87 ? -5.525 19.547 19.582 1.00 51.77 ? 112 SER X N 1 ATOM 2252 C CA . SER C 1 87 ? -6.770 18.904 19.155 1.00 51.34 ? 112 SER X CA 1 ATOM 2253 C C . SER C 1 87 ? -7.040 19.132 17.673 1.00 51.04 ? 112 SER X C 1 ATOM 2254 O O . SER C 1 87 ? -6.768 20.208 17.139 1.00 53.41 ? 112 SER X O 1 ATOM 2255 C CB . SER C 1 87 ? -7.944 19.412 19.986 1.00 51.29 ? 112 SER X CB 1 ATOM 2256 O OG . SER C 1 87 ? -7.792 19.031 21.339 1.00 51.92 ? 112 SER X OG 1 ATOM 2257 N N . TYR C 1 88 ? -7.585 18.112 17.021 1.00 49.66 ? 113 TYR X N 1 ATOM 2258 C CA . TYR C 1 88 ? -7.809 18.137 15.585 1.00 50.45 ? 113 TYR X CA 1 ATOM 2259 C C . TYR C 1 88 ? -9.265 17.815 15.281 1.00 49.52 ? 113 TYR X C 1 ATOM 2260 O O . TYR C 1 88 ? -9.934 17.172 16.072 1.00 49.71 ? 113 TYR X O 1 ATOM 2261 C CB . TYR C 1 88 ? -6.895 17.119 14.902 1.00 51.08 ? 113 TYR X CB 1 ATOM 2262 C CG . TYR C 1 88 ? -5.418 17.441 15.001 1.00 50.73 ? 113 TYR X CG 1 ATOM 2263 C CD1 . TYR C 1 88 ? -4.719 17.227 16.181 1.00 52.50 ? 113 TYR X CD1 1 ATOM 2264 C CD2 . TYR C 1 88 ? -4.717 17.942 13.912 1.00 50.25 ? 113 TYR X CD2 1 ATOM 2265 C CE1 . TYR C 1 88 ? -3.362 17.521 16.281 1.00 52.07 ? 113 TYR X CE1 1 ATOM 2266 C CE2 . TYR C 1 88 ? -3.357 18.233 14.000 1.00 50.87 ? 113 TYR X CE2 1 ATOM 2267 C CZ . TYR C 1 88 ? -2.689 18.021 15.189 1.00 51.26 ? 113 TYR X CZ 1 ATOM 2268 O OH . TYR C 1 88 ? -1.347 18.301 15.292 1.00 50.92 ? 113 TYR X OH 1 ATOM 2269 N N . ARG C 1 89 ? -9.745 18.261 14.126 1.00 52.70 ? 114 ARG X N 1 ATOM 2270 C CA . ARG C 1 89 ? -11.141 18.068 13.728 1.00 53.05 ? 114 ARG X CA 1 ATOM 2271 C C . ARG C 1 89 ? -11.245 17.837 12.236 1.00 52.16 ? 114 ARG X C 1 ATOM 2272 O O . ARG C 1 89 ? -10.584 18.524 11.464 1.00 52.27 ? 114 ARG X O 1 ATOM 2273 C CB . ARG C 1 89 ? -11.947 19.311 14.071 1.00 54.29 ? 114 ARG X CB 1 ATOM 2274 C CG . ARG C 1 89 ? -13.356 19.327 13.503 1.00 56.00 ? 114 ARG X CG 1 ATOM 2275 C CD . ARG C 1 89 ? -14.151 20.507 14.036 1.00 59.65 ? 114 ARG X CD 1 ATOM 2276 N NE . ARG C 1 89 ? -14.258 20.465 15.493 1.00 63.68 ? 114 ARG X NE 1 ATOM 2277 C CZ . ARG C 1 89 ? -14.828 21.409 16.238 1.00 67.49 ? 114 ARG X CZ 1 ATOM 2278 N NH1 . ARG C 1 89 ? -15.378 22.493 15.674 1.00 67.08 ? 114 ARG X NH1 1 ATOM 2279 N NH2 . ARG C 1 89 ? -14.858 21.260 17.562 1.00 67.05 ? 114 ARG X NH2 1 ATOM 2280 N N . CYS C 1 90 ? -12.076 16.880 11.828 1.00 51.27 ? 115 CYS X N 1 ATOM 2281 C CA . CYS C 1 90 ? -12.429 16.756 10.428 1.00 53.01 ? 115 CYS X CA 1 ATOM 2282 C C . CYS C 1 90 ? -13.846 17.284 10.212 1.00 51.08 ? 115 CYS X C 1 ATOM 2283 O O . CYS C 1 90 ? -14.765 17.010 10.985 1.00 47.36 ? 115 CYS X O 1 ATOM 2284 C CB . CYS C 1 90 ? -12.278 15.321 9.917 1.00 56.44 ? 115 CYS X CB 1 ATOM 2285 S SG . CYS C 1 90 ? -13.444 14.185 10.609 1.00 60.97 ? 115 CYS X SG 1 ATOM 2286 N N . SER C 1 91 ? -13.992 18.076 9.161 1.00 52.51 ? 116 SER X N 1 ATOM 2287 C CA . SER C 1 91 ? -15.275 18.610 8.755 1.00 53.87 ? 116 SER X CA 1 ATOM 2288 C C . SER C 1 91 ? -15.558 18.117 7.352 1.00 52.09 ? 116 SER X C 1 ATOM 2289 O O . SER C 1 91 ? -14.631 17.814 6.608 1.00 50.55 ? 116 SER X O 1 ATOM 2290 C CB . SER C 1 91 ? -15.242 20.136 8.786 1.00 55.49 ? 116 SER X CB 1 ATOM 2291 O OG . SER C 1 91 ? -14.123 20.634 8.077 1.00 55.94 ? 116 SER X OG 1 ATOM 2292 N N . ALA C 1 92 ? -16.836 18.038 7.001 1.00 53.80 ? 117 ALA X N 1 ATOM 2293 C CA . ALA C 1 92 ? -17.259 17.491 5.716 1.00 54.64 ? 117 ALA X CA 1 ATOM 2294 C C . ALA C 1 92 ? -18.305 18.388 5.066 1.00 55.46 ? 117 ALA X C 1 ATOM 2295 O O . ALA C 1 92 ? -19.390 18.570 5.613 1.00 55.25 ? 117 ALA X O 1 ATOM 2296 C CB . ALA C 1 92 ? -17.815 16.097 5.906 1.00 53.34 ? 117 ALA X CB 1 ATOM 2297 N N . ASN C 1 93 ? -17.965 18.942 3.902 1.00 56.80 ? 118 ASN X N 1 ATOM 2298 C CA . ASN C 1 93 ? -18.875 19.788 3.121 1.00 57.18 ? 118 ASN X CA 1 ATOM 2299 C C . ASN C 1 93 ? -19.681 18.976 2.106 1.00 56.95 ? 118 ASN X C 1 ATOM 2300 O O . ASN C 1 93 ? -19.100 18.279 1.272 1.00 54.90 ? 118 ASN X O 1 ATOM 2301 C CB . ASN C 1 93 ? -18.080 20.868 2.372 1.00 59.18 ? 118 ASN X CB 1 ATOM 2302 C CG . ASN C 1 93 ? -18.453 22.274 2.793 1.00 61.75 ? 118 ASN X CG 1 ATOM 2303 O OD1 . ASN C 1 93 ? -19.526 22.776 2.444 1.00 63.44 ? 118 ASN X OD1 1 ATOM 2304 N ND2 . ASN C 1 93 ? -17.558 22.929 3.523 1.00 62.26 ? 118 ASN X ND2 1 ATOM 2305 N N . PHE C 1 94 ? -21.009 19.073 2.172 1.00 57.70 ? 119 PHE X N 1 ATOM 2306 C CA . PHE C 1 94 ? -21.884 18.471 1.157 1.00 58.23 ? 119 PHE X CA 1 ATOM 2307 C C . PHE C 1 94 ? -23.193 19.250 1.002 1.00 58.30 ? 119 PHE X C 1 ATOM 2308 O O . PHE C 1 94 ? -23.665 19.869 1.951 1.00 58.91 ? 119 PHE X O 1 ATOM 2309 C CB . PHE C 1 94 ? -22.173 17.003 1.489 1.00 61.64 ? 119 PHE X CB 1 ATOM 2310 C CG . PHE C 1 94 ? -23.254 16.804 2.517 1.00 62.03 ? 119 PHE X CG 1 ATOM 2311 C CD1 . PHE C 1 94 ? -22.972 16.912 3.874 1.00 62.57 ? 119 PHE X CD1 1 ATOM 2312 C CD2 . PHE C 1 94 ? -24.555 16.497 2.126 1.00 62.88 ? 119 PHE X CD2 1 ATOM 2313 C CE1 . PHE C 1 94 ? -23.973 16.724 4.824 1.00 62.78 ? 119 PHE X CE1 1 ATOM 2314 C CE2 . PHE C 1 94 ? -25.563 16.310 3.069 1.00 62.56 ? 119 PHE X CE2 1 ATOM 2315 C CZ . PHE C 1 94 ? -25.273 16.424 4.418 1.00 62.88 ? 119 PHE X CZ 1 ATOM 2316 N N . GLN C 1 95 ? -23.764 19.214 -0.202 1.00 58.30 ? 120 GLN X N 1 ATOM 2317 C CA . GLN C 1 95 ? -25.046 19.861 -0.496 1.00 56.45 ? 120 GLN X CA 1 ATOM 2318 C C . GLN C 1 95 ? -25.255 21.102 0.373 1.00 56.73 ? 120 GLN X C 1 ATOM 2319 O O . GLN C 1 95 ? -26.257 21.223 1.087 1.00 54.69 ? 120 GLN X O 1 ATOM 2320 C CB . GLN C 1 95 ? -26.196 18.865 -0.319 1.00 54.89 ? 120 GLN X CB 1 ATOM 2321 N N . SER C 1 96 ? -24.274 22.004 0.320 1.00 57.88 ? 121 SER X N 1 ATOM 2322 C CA . SER C 1 96 ? -24.271 23.251 1.097 1.00 56.18 ? 121 SER X CA 1 ATOM 2323 C C . SER C 1 96 ? -23.969 23.022 2.585 1.00 57.21 ? 121 SER X C 1 ATOM 2324 O O . SER C 1 96 ? -23.147 23.731 3.166 1.00 58.82 ? 121 SER X O 1 ATOM 2325 C CB . SER C 1 96 ? -25.581 24.006 0.917 1.00 54.79 ? 121 SER X CB 1 ATOM 2326 N N . ASN C 1 97 ? -24.627 22.031 3.187 1.00 56.11 ? 122 ASN X N 1 ATOM 2327 C CA . ASN C 1 97 ? -24.454 21.706 4.608 1.00 54.23 ? 122 ASN X CA 1 ATOM 2328 C C . ASN C 1 97 ? -23.020 21.334 4.996 1.00 53.42 ? 122 ASN X C 1 ATOM 2329 O O . ASN C 1 97 ? -22.163 21.105 4.140 1.00 53.02 ? 122 ASN X O 1 ATOM 2330 C CB . ASN C 1 97 ? -25.402 20.569 5.018 1.00 53.58 ? 122 ASN X CB 1 ATOM 2331 C CG . ASN C 1 97 ? -26.858 21.006 5.092 1.00 53.92 ? 122 ASN X CG 1 ATOM 2332 O OD1 . ASN C 1 97 ? -27.688 20.304 5.671 1.00 54.25 ? 122 ASN X OD1 1 ATOM 2333 N ND2 . ASN C 1 97 ? -27.176 22.162 4.511 1.00 52.52 ? 122 ASN X ND2 1 ATOM 2334 N N . LEU C 1 98 ? -22.781 21.278 6.303 1.00 52.18 ? 123 LEU X N 1 ATOM 2335 C CA . LEU C 1 98 ? -21.454 21.025 6.847 1.00 51.60 ? 123 LEU X CA 1 ATOM 2336 C C . LEU C 1 98 ? -21.571 20.149 8.096 1.00 50.26 ? 123 LEU X C 1 ATOM 2337 O O . LEU C 1 98 ? -22.449 20.372 8.926 1.00 51.12 ? 123 LEU X O 1 ATOM 2338 C CB . LEU C 1 98 ? -20.794 22.361 7.187 1.00 52.09 ? 123 LEU X CB 1 ATOM 2339 C CG . LEU C 1 98 ? -19.339 22.379 7.657 1.00 52.61 ? 123 LEU X CG 1 ATOM 2340 C CD1 . LEU C 1 98 ? -18.397 22.234 6.482 1.00 52.66 ? 123 LEU X CD1 1 ATOM 2341 C CD2 . LEU C 1 98 ? -19.055 23.674 8.403 1.00 52.83 ? 123 LEU X CD2 1 ATOM 2342 N N . ILE C 1 99 ? -20.698 19.149 8.219 1.00 49.48 ? 124 ILE X N 1 ATOM 2343 C CA . ILE C 1 99 ? -20.678 18.270 9.394 1.00 49.76 ? 124 ILE X CA 1 ATOM 2344 C C . ILE C 1 99 ? -19.365 18.442 10.155 1.00 49.34 ? 124 ILE X C 1 ATOM 2345 O O . ILE C 1 99 ? -18.293 18.204 9.601 1.00 49.23 ? 124 ILE X O 1 ATOM 2346 C CB . ILE C 1 99 ? -20.876 16.790 8.991 1.00 50.09 ? 124 ILE X CB 1 ATOM 2347 C CG1 . ILE C 1 99 ? -22.328 16.555 8.580 1.00 50.05 ? 124 ILE X CG1 1 ATOM 2348 C CG2 . ILE C 1 99 ? -20.524 15.843 10.143 1.00 50.87 ? 124 ILE X CG2 1 ATOM 2349 C CD1 . ILE C 1 99 ? -22.507 15.393 7.668 1.00 51.03 ? 124 ILE X CD1 1 ATOM 2350 N N . GLU C 1 100 ? -19.462 18.852 11.421 1.00 48.59 ? 125 GLU X N 1 ATOM 2351 C CA . GLU C 1 100 ? -18.289 19.105 12.268 1.00 46.95 ? 125 GLU X CA 1 ATOM 2352 C C . GLU C 1 100 ? -18.136 17.999 13.315 1.00 45.90 ? 125 GLU X C 1 ATOM 2353 O O . GLU C 1 100 ? -18.992 17.831 14.188 1.00 46.16 ? 125 GLU X O 1 ATOM 2354 C CB . GLU C 1 100 ? -18.418 20.462 12.969 1.00 47.44 ? 125 GLU X CB 1 ATOM 2355 C CG . GLU C 1 100 ? -18.572 21.672 12.032 1.00 48.25 ? 125 GLU X CG 1 ATOM 2356 C CD . GLU C 1 100 ? -17.252 22.213 11.487 1.00 49.45 ? 125 GLU X CD 1 ATOM 2357 O OE1 . GLU C 1 100 ? -16.227 21.506 11.514 1.00 52.39 ? 125 GLU X OE1 1 ATOM 2358 O OE2 . GLU C 1 100 ? -17.239 23.363 11.018 1.00 48.74 ? 125 GLU X OE2 1 ATOM 2359 N N . SER C 1 101 ? -17.033 17.263 13.239 1.00 43.99 ? 126 SER X N 1 ATOM 2360 C CA . SER C 1 101 ? -16.822 16.109 14.099 1.00 43.21 ? 126 SER X CA 1 ATOM 2361 C C . SER C 1 101 ? -16.423 16.493 15.509 1.00 42.17 ? 126 SER X C 1 ATOM 2362 O O . SER C 1 101 ? -15.953 17.597 15.760 1.00 44.02 ? 126 SER X O 1 ATOM 2363 C CB . SER C 1 101 ? -15.716 15.231 13.527 1.00 46.07 ? 126 SER X CB 1 ATOM 2364 O OG . SER C 1 101 ? -14.443 15.798 13.795 1.00 49.38 ? 126 SER X OG 1 ATOM 2365 N N . HIS C 1 102 ? -16.603 15.553 16.428 1.00 44.44 ? 127 HIS X N 1 ATOM 2366 C CA . HIS C 1 102 ? -15.947 15.613 17.726 1.00 42.37 ? 127 HIS X CA 1 ATOM 2367 C C . HIS C 1 102 ? -14.451 15.644 17.465 1.00 42.59 ? 127 HIS X C 1 ATOM 2368 O O . HIS C 1 102 ? -13.969 14.981 16.540 1.00 44.71 ? 127 HIS X O 1 ATOM 2369 C CB . HIS C 1 102 ? -16.275 14.375 18.556 1.00 42.09 ? 127 HIS X CB 1 ATOM 2370 C CG . HIS C 1 102 ? -17.716 14.256 18.936 1.00 39.97 ? 127 HIS X CG 1 ATOM 2371 N ND1 . HIS C 1 102 ? -18.274 14.974 19.970 1.00 41.54 ? 127 HIS X ND1 1 ATOM 2372 C CD2 . HIS C 1 102 ? -18.705 13.478 18.442 1.00 39.59 ? 127 HIS X CD2 1 ATOM 2373 C CE1 . HIS C 1 102 ? -19.548 14.649 20.091 1.00 41.56 ? 127 HIS X CE1 1 ATOM 2374 N NE2 . HIS C 1 102 ? -19.835 13.745 19.172 1.00 40.10 ? 127 HIS X NE2 1 ATOM 2375 N N . SER C 1 103 ? -13.714 16.401 18.268 1.00 43.04 ? 128 SER X N 1 ATOM 2376 C CA . SER C 1 103 ? -12.279 16.547 18.057 1.00 43.77 ? 128 SER X CA 1 ATOM 2377 C C . SER C 1 103 ? -11.544 15.373 18.647 1.00 44.69 ? 128 SER X C 1 ATOM 2378 O O . SER C 1 103 ? -12.015 14.780 19.612 1.00 50.58 ? 128 SER X O 1 ATOM 2379 C CB . SER C 1 103 ? -11.766 17.816 18.719 1.00 46.66 ? 128 SER X CB 1 ATOM 2380 O OG . SER C 1 103 ? -11.861 17.708 20.126 1.00 49.95 ? 128 SER X OG 1 ATOM 2381 N N . THR C 1 104 ? -10.395 15.039 18.065 1.00 44.53 ? 129 THR X N 1 ATOM 2382 C CA . THR C 1 104 ? -9.469 14.074 18.664 1.00 45.21 ? 129 THR X CA 1 ATOM 2383 C C . THR C 1 104 ? -8.224 14.833 19.101 1.00 43.99 ? 129 THR X C 1 ATOM 2384 O O . THR C 1 104 ? -7.788 15.750 18.415 1.00 43.14 ? 129 THR X O 1 ATOM 2385 C CB . THR C 1 104 ? -9.109 12.897 17.709 1.00 45.84 ? 129 THR X CB 1 ATOM 2386 O OG1 . THR C 1 104 ? -8.342 11.913 18.421 1.00 45.20 ? 129 THR X OG1 1 ATOM 2387 C CG2 . THR C 1 104 ? -8.319 13.367 16.489 1.00 45.87 ? 129 THR X CG2 1 ATOM 2388 N N . THR C 1 105 ? -7.670 14.451 20.249 1.00 47.95 ? 130 THR X N 1 ATOM 2389 C CA . THR C 1 105 ? -6.555 15.169 20.865 1.00 48.39 ? 130 THR X CA 1 ATOM 2390 C C . THR C 1 105 ? -5.279 14.339 20.857 1.00 50.19 ? 130 THR X C 1 ATOM 2391 O O . THR C 1 105 ? -5.265 13.217 21.368 1.00 49.97 ? 130 THR X O 1 ATOM 2392 C CB . THR C 1 105 ? -6.883 15.523 22.317 1.00 48.84 ? 130 THR X CB 1 ATOM 2393 O OG1 . THR C 1 105 ? -8.150 16.189 22.367 1.00 48.39 ? 130 THR X OG1 1 ATOM 2394 C CG2 . THR C 1 105 ? -5.794 16.427 22.917 1.00 49.35 ? 130 THR X CG2 1 ATOM 2395 N N . LEU C 1 106 ? -4.212 14.897 20.282 1.00 51.43 ? 131 LEU X N 1 ATOM 2396 C CA . LEU C 1 106 ? -2.889 14.260 20.295 1.00 51.16 ? 131 LEU X CA 1 ATOM 2397 C C . LEU C 1 106 ? -2.052 14.774 21.456 1.00 50.42 ? 131 LEU X C 1 ATOM 2398 O O . LEU C 1 106 ? -1.711 15.954 21.506 1.00 52.66 ? 131 LEU X O 1 ATOM 2399 C CB . LEU C 1 106 ? -2.130 14.547 19.003 1.00 54.01 ? 131 LEU X CB 1 ATOM 2400 C CG . LEU C 1 106 ? -2.762 14.043 17.711 1.00 59.06 ? 131 LEU X CG 1 ATOM 2401 C CD1 . LEU C 1 106 ? -1.913 14.468 16.506 1.00 60.78 ? 131 LEU X CD1 1 ATOM 2402 C CD2 . LEU C 1 106 ? -2.937 12.527 17.748 1.00 60.48 ? 131 LEU X CD2 1 ATOM 2403 N N . TYR C 1 107 ? -1.718 13.883 22.380 1.00 48.30 ? 132 TYR X N 1 ATOM 2404 C CA . TYR C 1 107 ? -0.797 14.194 23.464 1.00 47.55 ? 132 TYR X CA 1 ATOM 2405 C C . TYR C 1 107 ? 0.584 13.660 23.100 1.00 47.97 ? 132 TYR X C 1 ATOM 2406 O O . TYR C 1 107 ? 0.794 12.451 23.072 1.00 50.58 ? 132 TYR X O 1 ATOM 2407 C CB . TYR C 1 107 ? -1.293 13.559 24.757 1.00 44.69 ? 132 TYR X CB 1 ATOM 2408 C CG . TYR C 1 107 ? -2.602 14.139 25.232 1.00 44.99 ? 132 TYR X CG 1 ATOM 2409 C CD1 . TYR C 1 107 ? -2.645 15.390 25.843 1.00 43.57 ? 132 TYR X CD1 1 ATOM 2410 C CD2 . TYR C 1 107 ? -3.797 13.443 25.076 1.00 44.33 ? 132 TYR X CD2 1 ATOM 2411 C CE1 . TYR C 1 107 ? -3.834 15.933 26.282 1.00 42.63 ? 132 TYR X CE1 1 ATOM 2412 C CE2 . TYR C 1 107 ? -4.998 13.982 25.516 1.00 44.06 ? 132 TYR X CE2 1 ATOM 2413 C CZ . TYR C 1 107 ? -5.007 15.232 26.112 1.00 43.33 ? 132 TYR X CZ 1 ATOM 2414 O OH . TYR C 1 107 ? -6.188 15.779 26.555 1.00 45.37 ? 132 TYR X OH 1 ATOM 2415 N N . VAL C 1 108 ? 1.517 14.560 22.809 1.00 49.21 ? 133 VAL X N 1 ATOM 2416 C CA . VAL C 1 108 ? 2.850 14.170 22.339 1.00 49.14 ? 133 VAL X CA 1 ATOM 2417 C C . VAL C 1 108 ? 3.905 14.363 23.425 1.00 47.95 ? 133 VAL X C 1 ATOM 2418 O O . VAL C 1 108 ? 3.901 15.364 24.139 1.00 46.37 ? 133 VAL X O 1 ATOM 2419 C CB . VAL C 1 108 ? 3.260 14.975 21.084 1.00 49.59 ? 133 VAL X CB 1 ATOM 2420 C CG1 . VAL C 1 108 ? 4.684 14.617 20.639 1.00 49.49 ? 133 VAL X CG1 1 ATOM 2421 C CG2 . VAL C 1 108 ? 2.263 14.731 19.954 1.00 49.23 ? 133 VAL X CG2 1 ATOM 2422 N N . THR C 1 109 ? 4.811 13.395 23.524 1.00 48.90 ? 134 THR X N 1 ATOM 2423 C CA . THR C 1 109 ? 5.932 13.447 24.464 1.00 49.89 ? 134 THR X CA 1 ATOM 2424 C C . THR C 1 109 ? 7.264 13.262 23.712 1.00 47.67 ? 134 THR X C 1 ATOM 2425 O O . THR C 1 109 ? 7.316 12.570 22.698 1.00 46.10 ? 134 THR X O 1 ATOM 2426 C CB . THR C 1 109 ? 5.766 12.391 25.593 1.00 50.92 ? 134 THR X CB 1 ATOM 2427 O OG1 . THR C 1 109 ? 7.000 12.240 26.304 1.00 53.44 ? 134 THR X OG1 1 ATOM 2428 C CG2 . THR C 1 109 ? 5.349 11.047 25.035 1.00 51.23 ? 134 THR X CG2 1 ATOM 2429 N N . ASP C 1 110 ? 8.330 13.883 24.215 1.00 47.83 ? 135 ASP X N 1 ATOM 2430 C CA . ASP C 1 110 ? 9.618 13.921 23.508 1.00 48.59 ? 135 ASP X CA 1 ATOM 2431 C C . ASP C 1 110 ? 10.733 13.143 24.238 1.00 48.37 ? 135 ASP X C 1 ATOM 2432 O O . ASP C 1 110 ? 11.217 13.573 25.288 1.00 46.70 ? 135 ASP X O 1 ATOM 2433 C CB . ASP C 1 110 ? 10.035 15.384 23.302 1.00 48.45 ? 135 ASP X CB 1 ATOM 2434 C CG . ASP C 1 110 ? 10.974 15.574 22.121 1.00 48.40 ? 135 ASP X CG 1 ATOM 2435 O OD1 . ASP C 1 110 ? 11.444 14.572 21.540 1.00 49.74 ? 135 ASP X OD1 1 ATOM 2436 O OD2 . ASP C 1 110 ? 11.241 16.742 21.770 1.00 47.79 ? 135 ASP X OD2 1 ATOM 2437 N N . VAL C 1 111 ? 11.135 12.004 23.665 1.00 48.63 ? 136 VAL X N 1 ATOM 2438 C CA . VAL C 1 111 ? 12.202 11.150 24.222 1.00 48.03 ? 136 VAL X CA 1 ATOM 2439 C C . VAL C 1 111 ? 12.936 10.368 23.124 1.00 47.50 ? 136 VAL X C 1 ATOM 2440 O O . VAL C 1 111 ? 12.309 9.858 22.192 1.00 47.90 ? 136 VAL X O 1 ATOM 2441 C CB . VAL C 1 111 ? 11.652 10.120 25.257 1.00 48.76 ? 136 VAL X CB 1 ATOM 2442 C CG1 . VAL C 1 111 ? 11.609 10.715 26.663 1.00 49.83 ? 136 VAL X CG1 1 ATOM 2443 C CG2 . VAL C 1 111 ? 10.275 9.605 24.841 1.00 48.01 ? 136 VAL X CG2 1 ATOM 2444 N N . LYS C 1 112 ? 14.259 10.269 23.247 1.00 45.94 ? 137 LYS X N 1 ATOM 2445 C CA . LYS C 1 112 ? 15.075 9.506 22.300 1.00 45.62 ? 137 LYS X CA 1 ATOM 2446 C C . LYS C 1 112 ? 14.914 8.001 22.555 1.00 45.14 ? 137 LYS X C 1 ATOM 2447 O O . LYS C 1 112 ? 14.916 7.560 23.709 1.00 42.62 ? 137 LYS X O 1 ATOM 2448 C CB . LYS C 1 112 ? 16.542 9.911 22.420 1.00 45.53 ? 137 LYS X CB 1 ATOM 2449 C CG . LYS C 1 112 ? 16.812 11.387 22.145 1.00 45.34 ? 137 LYS X CG 1 ATOM 2450 C CD . LYS C 1 112 ? 18.298 11.696 22.249 1.00 45.03 ? 137 LYS X CD 1 ATOM 2451 C CE . LYS C 1 112 ? 18.591 13.174 22.034 1.00 45.11 ? 137 LYS X CE 1 ATOM 2452 N NZ . LYS C 1 112 ? 20.016 13.507 22.359 1.00 44.60 ? 137 LYS X NZ 1 ATOM 2453 N N . HIS C 1 113 ? 14.778 7.216 21.483 1.00 46.59 ? 138 HIS X N 1 ATOM 2454 C CA . HIS C 1 113 ? 14.394 5.802 21.613 1.00 47.99 ? 138 HIS X CA 1 ATOM 2455 C C . HIS C 1 113 ? 14.649 4.953 20.350 1.00 48.81 ? 138 HIS X C 1 ATOM 2456 O O . HIS C 1 113 ? 15.386 5.365 19.452 1.00 45.89 ? 138 HIS X O 1 ATOM 2457 C CB . HIS C 1 113 ? 12.912 5.732 21.999 1.00 48.68 ? 138 HIS X CB 1 ATOM 2458 C CG . HIS C 1 113 ? 11.991 6.242 20.937 1.00 48.68 ? 138 HIS X CG 1 ATOM 2459 N ND1 . HIS C 1 113 ? 11.837 7.586 20.669 1.00 49.02 ? 138 HIS X ND1 1 ATOM 2460 C CD2 . HIS C 1 113 ? 11.175 5.590 20.076 1.00 49.99 ? 138 HIS X CD2 1 ATOM 2461 C CE1 . HIS C 1 113 ? 10.963 7.739 19.690 1.00 49.39 ? 138 HIS X CE1 1 ATOM 2462 N NE2 . HIS C 1 113 ? 10.545 6.544 19.313 1.00 49.63 ? 138 HIS X NE2 1 ATOM 2463 N N . HIS C 1 114 ? 14.045 3.759 20.319 1.00 51.49 ? 139 HIS X N 1 ATOM 2464 C CA . HIS C 1 114 ? 14.064 2.837 19.169 1.00 49.71 ? 139 HIS X CA 1 ATOM 2465 C C . HIS C 1 114 ? 15.446 2.180 18.953 1.00 49.17 ? 139 HIS X C 1 ATOM 2466 O O . HIS C 1 114 ? 15.942 1.511 19.858 1.00 47.72 ? 139 HIS X O 1 ATOM 2467 C CB . HIS C 1 114 ? 13.521 3.516 17.889 1.00 49.05 ? 139 HIS X CB 1 ATOM 2468 N N . HIS C 1 115 ? 16.055 2.370 17.777 1.00 48.90 ? 140 HIS X N 1 ATOM 2469 C CA . HIS C 1 115 ? 17.307 1.694 17.381 1.00 47.35 ? 140 HIS X CA 1 ATOM 2470 C C . HIS C 1 115 ? 17.079 0.230 17.004 1.00 45.57 ? 140 HIS X C 1 ATOM 2471 O O . HIS C 1 115 ? 16.333 -0.489 17.665 1.00 43.62 ? 140 HIS X O 1 ATOM 2472 C CB . HIS C 1 115 ? 18.383 1.811 18.471 1.00 46.13 ? 140 HIS X CB 1 ATOM 2473 N N . PRO D 2 6 ? -21.939 21.722 30.454 1.00 88.48 ? 2 PRO Y N 1 ATOM 2474 C CA . PRO D 2 6 ? -21.067 22.426 31.400 1.00 88.71 ? 2 PRO Y CA 1 ATOM 2475 C C . PRO D 2 6 ? -19.596 22.006 31.268 1.00 89.04 ? 2 PRO Y C 1 ATOM 2476 O O . PRO D 2 6 ? -19.308 20.813 31.130 1.00 89.18 ? 2 PRO Y O 1 ATOM 2477 C CB . PRO D 2 6 ? -21.630 22.011 32.775 1.00 89.11 ? 2 PRO Y CB 1 ATOM 2478 C CG . PRO D 2 6 ? -22.391 20.699 32.525 1.00 89.19 ? 2 PRO Y CG 1 ATOM 2479 C CD . PRO D 2 6 ? -22.464 20.464 31.025 1.00 88.35 ? 2 PRO Y CD 1 ATOM 2480 N N . SER D 2 7 ? -18.691 22.987 31.319 1.00 87.24 ? 3 SER Y N 1 ATOM 2481 C CA . SER D 2 7 ? -17.242 22.776 31.147 1.00 85.02 ? 3 SER Y CA 1 ATOM 2482 C C . SER D 2 7 ? -16.881 22.258 29.749 1.00 83.24 ? 3 SER Y C 1 ATOM 2483 O O . SER D 2 7 ? -16.224 21.222 29.601 1.00 82.52 ? 3 SER Y O 1 ATOM 2484 C CB . SER D 2 7 ? -16.673 21.857 32.235 1.00 84.80 ? 3 SER Y CB 1 ATOM 2485 O OG . SER D 2 7 ? -16.940 22.381 33.525 1.00 86.37 ? 3 SER Y OG 1 ATOM 2486 N N . CYS D 2 8 ? -17.325 22.998 28.736 1.00 80.66 ? 4 CYS Y N 1 ATOM 2487 C CA . CYS D 2 8 ? -16.953 22.750 27.346 1.00 80.61 ? 4 CYS Y CA 1 ATOM 2488 C C . CYS D 2 8 ? -15.777 23.643 26.967 1.00 79.92 ? 4 CYS Y C 1 ATOM 2489 O O . CYS D 2 8 ? -15.628 24.742 27.512 1.00 80.79 ? 4 CYS Y O 1 ATOM 2490 C CB . CYS D 2 8 ? -18.136 23.055 26.422 1.00 79.46 ? 4 CYS Y CB 1 ATOM 2491 S SG . CYS D 2 8 ? -19.639 22.101 26.765 1.00 77.74 ? 4 CYS Y SG 1 ATOM 2492 N N . LYS D 2 9 ? -14.945 23.179 26.036 1.00 79.91 ? 5 LYS Y N 1 ATOM 2493 C CA . LYS D 2 9 ? -13.845 23.997 25.522 1.00 80.96 ? 5 LYS Y CA 1 ATOM 2494 C C . LYS D 2 9 ? -14.405 25.153 24.708 1.00 80.50 ? 5 LYS Y C 1 ATOM 2495 O O . LYS D 2 9 ? -15.563 25.120 24.291 1.00 79.92 ? 5 LYS Y O 1 ATOM 2496 C CB . LYS D 2 9 ? -12.891 23.185 24.639 1.00 82.31 ? 5 LYS Y CB 1 ATOM 2497 C CG . LYS D 2 9 ? -12.034 22.149 25.367 1.00 82.96 ? 5 LYS Y CG 1 ATOM 2498 C CD . LYS D 2 9 ? -12.263 20.735 24.820 1.00 83.86 ? 5 LYS Y CD 1 ATOM 2499 C CE . LYS D 2 9 ? -11.106 19.798 25.140 1.00 83.86 ? 5 LYS Y CE 1 ATOM 2500 N NZ . LYS D 2 9 ? -11.257 19.157 26.479 1.00 83.96 ? 5 LYS Y NZ 1 ATOM 2501 N N . GLU D 2 10 ? -13.576 26.168 24.477 1.00 82.12 ? 6 GLU Y N 1 ATOM 2502 C CA . GLU D 2 10 ? -13.963 27.317 23.653 1.00 82.93 ? 6 GLU Y CA 1 ATOM 2503 C C . GLU D 2 10 ? -14.674 26.852 22.377 1.00 83.35 ? 6 GLU Y C 1 ATOM 2504 O O . GLU D 2 10 ? -15.698 27.417 21.993 1.00 84.21 ? 6 GLU Y O 1 ATOM 2505 C CB . GLU D 2 10 ? -12.733 28.165 23.285 1.00 84.98 ? 6 GLU Y CB 1 ATOM 2506 C CG . GLU D 2 10 ? -12.119 28.976 24.439 1.00 86.65 ? 6 GLU Y CG 1 ATOM 2507 C CD . GLU D 2 10 ? -12.753 30.359 24.649 1.00 89.77 ? 6 GLU Y CD 1 ATOM 2508 O OE1 . GLU D 2 10 ? -13.744 30.702 23.963 1.00 90.79 ? 6 GLU Y OE1 1 ATOM 2509 O OE2 . GLU D 2 10 ? -12.249 31.116 25.512 1.00 90.09 ? 6 GLU Y OE2 1 ATOM 2510 N N . ASP D 2 11 ? -14.139 25.803 21.751 1.00 81.93 ? 7 ASP Y N 1 ATOM 2511 C CA . ASP D 2 11 ? -14.631 25.314 20.456 1.00 81.38 ? 7 ASP Y CA 1 ATOM 2512 C C . ASP D 2 11 ? -15.862 24.394 20.513 1.00 81.61 ? 7 ASP Y C 1 ATOM 2513 O O . ASP D 2 11 ? -16.334 23.930 19.473 1.00 82.24 ? 7 ASP Y O 1 ATOM 2514 C CB . ASP D 2 11 ? -13.499 24.598 19.707 1.00 81.23 ? 7 ASP Y CB 1 ATOM 2515 C CG . ASP D 2 11 ? -13.048 23.325 20.400 1.00 81.72 ? 7 ASP Y CG 1 ATOM 2516 O OD1 . ASP D 2 11 ? -12.426 23.417 21.480 1.00 82.21 ? 7 ASP Y OD1 1 ATOM 2517 O OD2 . ASP D 2 11 ? -13.309 22.233 19.860 1.00 82.89 ? 7 ASP Y OD2 1 ATOM 2518 N N . GLU D 2 12 ? -16.379 24.126 21.709 1.00 81.31 ? 8 GLU Y N 1 ATOM 2519 C CA . GLU D 2 12 ? -17.554 23.266 21.865 1.00 81.18 ? 8 GLU Y CA 1 ATOM 2520 C C . GLU D 2 12 ? -18.675 24.036 22.550 1.00 79.22 ? 8 GLU Y C 1 ATOM 2521 O O . GLU D 2 12 ? -18.452 25.147 23.033 1.00 80.56 ? 8 GLU Y O 1 ATOM 2522 C CB . GLU D 2 12 ? -17.192 22.032 22.689 1.00 83.24 ? 8 GLU Y CB 1 ATOM 2523 C CG . GLU D 2 12 ? -16.098 21.157 22.070 1.00 84.77 ? 8 GLU Y CG 1 ATOM 2524 C CD . GLU D 2 12 ? -15.442 20.208 23.067 1.00 85.47 ? 8 GLU Y CD 1 ATOM 2525 O OE1 . GLU D 2 12 ? -15.875 20.159 24.242 1.00 87.07 ? 8 GLU Y OE1 1 ATOM 2526 O OE2 . GLU D 2 12 ? -14.480 19.511 22.670 1.00 88.25 ? 8 GLU Y OE2 1 ATOM 2527 N N . TYR D 2 13 ? -19.874 23.455 22.592 1.00 76.71 ? 9 TYR Y N 1 ATOM 2528 C CA . TYR D 2 13 ? -21.000 24.083 23.295 1.00 77.17 ? 9 TYR Y CA 1 ATOM 2529 C C . TYR D 2 13 ? -21.921 23.065 23.964 1.00 76.20 ? 9 TYR Y C 1 ATOM 2530 O O . TYR D 2 13 ? -22.009 21.922 23.518 1.00 73.15 ? 9 TYR Y O 1 ATOM 2531 C CB . TYR D 2 13 ? -21.810 24.972 22.349 1.00 75.85 ? 9 TYR Y CB 1 ATOM 2532 C CG . TYR D 2 13 ? -22.762 24.225 21.446 1.00 75.30 ? 9 TYR Y CG 1 ATOM 2533 C CD1 . TYR D 2 13 ? -22.319 23.671 20.246 1.00 75.54 ? 9 TYR Y CD1 1 ATOM 2534 C CD2 . TYR D 2 13 ? -24.104 24.076 21.785 1.00 74.25 ? 9 TYR Y CD2 1 ATOM 2535 C CE1 . TYR D 2 13 ? -23.185 22.990 19.406 1.00 75.21 ? 9 TYR Y CE1 1 ATOM 2536 C CE2 . TYR D 2 13 ? -24.978 23.392 20.954 1.00 75.22 ? 9 TYR Y CE2 1 ATOM 2537 C CZ . TYR D 2 13 ? -24.512 22.855 19.763 1.00 75.78 ? 9 TYR Y CZ 1 ATOM 2538 O OH . TYR D 2 13 ? -25.363 22.178 18.923 1.00 76.29 ? 9 TYR Y OH 1 ATOM 2539 N N . PRO D 2 14 ? -22.629 23.488 25.029 1.00 76.82 ? 10 PRO Y N 1 ATOM 2540 C CA . PRO D 2 14 ? -23.415 22.544 25.817 1.00 77.48 ? 10 PRO Y CA 1 ATOM 2541 C C . PRO D 2 14 ? -24.738 22.162 25.167 1.00 77.46 ? 10 PRO Y C 1 ATOM 2542 O O . PRO D 2 14 ? -25.489 23.034 24.739 1.00 79.31 ? 10 PRO Y O 1 ATOM 2543 C CB . PRO D 2 14 ? -23.672 23.298 27.132 1.00 77.32 ? 10 PRO Y CB 1 ATOM 2544 C CG . PRO D 2 14 ? -22.969 24.625 27.007 1.00 77.57 ? 10 PRO Y CG 1 ATOM 2545 C CD . PRO D 2 14 ? -22.746 24.855 25.561 1.00 77.30 ? 10 PRO Y CD 1 ATOM 2546 N N . VAL D 2 15 ? -25.001 20.859 25.102 1.00 78.05 ? 11 VAL Y N 1 ATOM 2547 C CA . VAL D 2 15 ? -26.288 20.326 24.651 1.00 78.81 ? 11 VAL Y CA 1 ATOM 2548 C C . VAL D 2 15 ? -26.650 19.114 25.518 1.00 77.94 ? 11 VAL Y C 1 ATOM 2549 O O . VAL D 2 15 ? -25.961 18.094 25.502 1.00 75.72 ? 11 VAL Y O 1 ATOM 2550 C CB . VAL D 2 15 ? -26.277 19.968 23.131 1.00 79.59 ? 11 VAL Y CB 1 ATOM 2551 C CG1 . VAL D 2 15 ? -24.996 19.246 22.735 1.00 82.37 ? 11 VAL Y CG1 1 ATOM 2552 C CG2 . VAL D 2 15 ? -27.499 19.142 22.745 1.00 78.65 ? 11 VAL Y CG2 1 ATOM 2553 N N . GLY D 2 16 ? -27.728 19.244 26.285 1.00 78.90 ? 12 GLY Y N 1 ATOM 2554 C CA . GLY D 2 16 ? -28.087 18.241 27.277 1.00 79.30 ? 12 GLY Y CA 1 ATOM 2555 C C . GLY D 2 16 ? -27.052 18.216 28.386 1.00 79.88 ? 12 GLY Y C 1 ATOM 2556 O O . GLY D 2 16 ? -26.741 19.253 28.970 1.00 79.35 ? 12 GLY Y O 1 ATOM 2557 N N . SER D 2 17 ? -26.501 17.035 28.655 1.00 80.65 ? 13 SER Y N 1 ATOM 2558 C CA . SER D 2 17 ? -25.531 16.847 29.736 1.00 81.20 ? 13 SER Y CA 1 ATOM 2559 C C . SER D 2 17 ? -24.079 16.807 29.254 1.00 81.01 ? 13 SER Y C 1 ATOM 2560 O O . SER D 2 17 ? -23.171 16.586 30.056 1.00 80.19 ? 13 SER Y O 1 ATOM 2561 C CB . SER D 2 17 ? -25.838 15.547 30.483 1.00 83.44 ? 13 SER Y CB 1 ATOM 2562 O OG . SER D 2 17 ? -27.206 15.477 30.846 1.00 85.60 ? 13 SER Y OG 1 ATOM 2563 N N . GLU D 2 18 ? -23.859 17.010 27.955 1.00 81.42 ? 14 GLU Y N 1 ATOM 2564 C CA . GLU D 2 18 ? -22.514 16.928 27.377 1.00 80.94 ? 14 GLU Y CA 1 ATOM 2565 C C . GLU D 2 18 ? -22.179 18.125 26.483 1.00 79.94 ? 14 GLU Y C 1 ATOM 2566 O O . GLU D 2 18 ? -22.989 19.039 26.323 1.00 80.62 ? 14 GLU Y O 1 ATOM 2567 C CB . GLU D 2 18 ? -22.336 15.606 26.607 1.00 83.17 ? 14 GLU Y CB 1 ATOM 2568 C CG . GLU D 2 18 ? -21.379 14.606 27.284 1.00 85.40 ? 14 GLU Y CG 1 ATOM 2569 C CD . GLU D 2 18 ? -22.097 13.475 27.996 1.00 87.69 ? 14 GLU Y CD 1 ATOM 2570 O OE1 . GLU D 2 18 ? -22.778 12.684 27.311 1.00 89.44 ? 14 GLU Y OE1 1 ATOM 2571 O OE2 . GLU D 2 18 ? -21.971 13.365 29.235 1.00 89.08 ? 14 GLU Y OE2 1 ATOM 2572 N N . CYS D 2 19 ? -20.966 18.107 25.930 1.00 78.62 ? 15 CYS Y N 1 ATOM 2573 C CA . CYS D 2 19 ? -20.466 19.160 25.048 1.00 77.12 ? 15 CYS Y CA 1 ATOM 2574 C C . CYS D 2 19 ? -20.480 18.715 23.604 1.00 74.07 ? 15 CYS Y C 1 ATOM 2575 O O . CYS D 2 19 ? -20.463 17.522 23.333 1.00 70.58 ? 15 CYS Y O 1 ATOM 2576 C CB . CYS D 2 19 ? -19.038 19.514 25.429 1.00 76.44 ? 15 CYS Y CB 1 ATOM 2577 S SG . CYS D 2 19 ? -18.942 20.223 27.040 1.00 76.42 ? 15 CYS Y SG 1 ATOM 2578 N N . CYS D 2 20 ? -20.478 19.683 22.685 1.00 76.24 ? 16 CYS Y N 1 ATOM 2579 C CA . CYS D 2 20 ? -20.543 19.399 21.246 1.00 76.38 ? 16 CYS Y CA 1 ATOM 2580 C C . CYS D 2 20 ? -19.897 20.443 20.352 1.00 75.03 ? 16 CYS Y C 1 ATOM 2581 O O . CYS D 2 20 ? -19.908 21.629 20.671 1.00 78.35 ? 16 CYS Y O 1 ATOM 2582 C CB . CYS D 2 20 ? -21.988 19.207 20.818 1.00 78.22 ? 16 CYS Y CB 1 ATOM 2583 S SG . CYS D 2 20 ? -22.462 17.544 21.127 1.00 84.52 ? 16 CYS Y SG 1 ATOM 2584 N N . PRO D 2 21 ? -19.366 20.005 19.201 1.00 71.56 ? 17 PRO Y N 1 ATOM 2585 C CA . PRO D 2 21 ? -18.641 20.922 18.335 1.00 71.87 ? 17 PRO Y CA 1 ATOM 2586 C C . PRO D 2 21 ? -19.506 22.085 17.830 1.00 70.57 ? 17 PRO Y C 1 ATOM 2587 O O . PRO D 2 21 ? -20.596 21.867 17.291 1.00 67.32 ? 17 PRO Y O 1 ATOM 2588 C CB . PRO D 2 21 ? -18.187 20.033 17.164 1.00 70.56 ? 17 PRO Y CB 1 ATOM 2589 C CG . PRO D 2 21 ? -18.339 18.663 17.615 1.00 71.11 ? 17 PRO Y CG 1 ATOM 2590 C CD . PRO D 2 21 ? -19.420 18.647 18.637 1.00 71.38 ? 17 PRO Y CD 1 ATOM 2591 N N . LYS D 2 22 ? -19.006 23.304 18.023 1.00 70.92 ? 18 LYS Y N 1 ATOM 2592 C CA . LYS D 2 22 ? -19.622 24.510 17.476 1.00 70.67 ? 18 LYS Y CA 1 ATOM 2593 C C . LYS D 2 22 ? -19.565 24.516 15.955 1.00 68.28 ? 18 LYS Y C 1 ATOM 2594 O O . LYS D 2 22 ? -18.670 23.918 15.364 1.00 67.96 ? 18 LYS Y O 1 ATOM 2595 C CB . LYS D 2 22 ? -18.901 25.755 18.005 1.00 72.29 ? 18 LYS Y CB 1 ATOM 2596 C CG . LYS D 2 22 ? -19.234 26.109 19.448 1.00 73.27 ? 18 LYS Y CG 1 ATOM 2597 C CD . LYS D 2 22 ? -18.357 27.246 19.951 1.00 72.93 ? 18 LYS Y CD 1 ATOM 2598 C CE . LYS D 2 22 ? -18.914 27.898 21.207 1.00 72.97 ? 18 LYS Y CE 1 ATOM 2599 N NZ . LYS D 2 22 ? -17.979 28.933 21.736 1.00 73.16 ? 18 LYS Y NZ 1 ATOM 2600 N N . CYS D 2 23 ? -20.526 25.193 15.331 1.00 68.37 ? 19 CYS Y N 1 ATOM 2601 C CA . CYS D 2 23 ? -20.526 25.381 13.881 1.00 68.33 ? 19 CYS Y CA 1 ATOM 2602 C C . CYS D 2 23 ? -19.563 26.484 13.512 1.00 66.50 ? 19 CYS Y C 1 ATOM 2603 O O . CYS D 2 23 ? -19.262 27.342 14.330 1.00 66.90 ? 19 CYS Y O 1 ATOM 2604 C CB . CYS D 2 23 ? -21.915 25.757 13.372 1.00 69.69 ? 19 CYS Y CB 1 ATOM 2605 S SG . CYS D 2 23 ? -23.077 24.404 13.373 1.00 72.24 ? 19 CYS Y SG 1 ATOM 2606 N N . SER D 2 24 ? -19.095 26.459 12.270 1.00 66.58 ? 20 SER Y N 1 ATOM 2607 C CA . SER D 2 24 ? -18.213 27.496 11.753 1.00 67.98 ? 20 SER Y CA 1 ATOM 2608 C C . SER D 2 24 ? -18.942 28.832 11.653 1.00 68.10 ? 20 SER Y C 1 ATOM 2609 O O . SER D 2 24 ? -20.173 28.883 11.726 1.00 67.80 ? 20 SER Y O 1 ATOM 2610 C CB . SER D 2 24 ? -17.718 27.119 10.353 1.00 70.54 ? 20 SER Y CB 1 ATOM 2611 O OG . SER D 2 24 ? -17.298 25.773 10.291 1.00 73.43 ? 20 SER Y OG 1 ATOM 2612 N N . PRO D 2 25 ? -18.186 29.924 11.458 1.00 67.85 ? 21 PRO Y N 1 ATOM 2613 C CA . PRO D 2 25 ? -18.851 31.175 11.121 1.00 66.80 ? 21 PRO Y CA 1 ATOM 2614 C C . PRO D 2 25 ? -19.652 30.997 9.840 1.00 66.06 ? 21 PRO Y C 1 ATOM 2615 O O . PRO D 2 25 ? -19.224 30.258 8.955 1.00 66.83 ? 21 PRO Y O 1 ATOM 2616 C CB . PRO D 2 25 ? -17.687 32.148 10.895 1.00 67.45 ? 21 PRO Y CB 1 ATOM 2617 C CG . PRO D 2 25 ? -16.541 31.553 11.635 1.00 68.43 ? 21 PRO Y CG 1 ATOM 2618 C CD . PRO D 2 25 ? -16.722 30.077 11.527 1.00 67.64 ? 21 PRO Y CD 1 ATOM 2619 N N . GLY D 2 26 ? -20.809 31.647 9.756 1.00 66.44 ? 22 GLY Y N 1 ATOM 2620 C CA . GLY D 2 26 ? -21.660 31.575 8.568 1.00 65.81 ? 22 GLY Y CA 1 ATOM 2621 C C . GLY D 2 26 ? -22.564 30.359 8.504 1.00 65.40 ? 22 GLY Y C 1 ATOM 2622 O O . GLY D 2 26 ? -23.267 30.166 7.511 1.00 65.39 ? 22 GLY Y O 1 ATOM 2623 N N . TYR D 2 27 ? -22.546 29.534 9.552 1.00 65.73 ? 23 TYR Y N 1 ATOM 2624 C CA . TYR D 2 27 ? -23.393 28.344 9.620 1.00 66.74 ? 23 TYR Y CA 1 ATOM 2625 C C . TYR D 2 27 ? -24.118 28.295 10.954 1.00 67.08 ? 23 TYR Y C 1 ATOM 2626 O O . TYR D 2 27 ? -23.648 28.868 11.940 1.00 66.72 ? 23 TYR Y O 1 ATOM 2627 C CB . TYR D 2 27 ? -22.561 27.074 9.454 1.00 66.89 ? 23 TYR Y CB 1 ATOM 2628 C CG . TYR D 2 27 ? -21.920 26.930 8.098 1.00 65.81 ? 23 TYR Y CG 1 ATOM 2629 C CD1 . TYR D 2 27 ? -20.821 27.702 7.746 1.00 66.91 ? 23 TYR Y CD1 1 ATOM 2630 C CD2 . TYR D 2 27 ? -22.398 26.015 7.175 1.00 65.99 ? 23 TYR Y CD2 1 ATOM 2631 C CE1 . TYR D 2 27 ? -20.222 27.584 6.502 1.00 66.73 ? 23 TYR Y CE1 1 ATOM 2632 C CE2 . TYR D 2 27 ? -21.803 25.880 5.925 1.00 67.02 ? 23 TYR Y CE2 1 ATOM 2633 C CZ . TYR D 2 27 ? -20.712 26.668 5.596 1.00 66.93 ? 23 TYR Y CZ 1 ATOM 2634 O OH . TYR D 2 27 ? -20.114 26.549 4.360 1.00 67.78 ? 23 TYR Y OH 1 ATOM 2635 N N . ARG D 2 28 ? -25.260 27.609 10.971 1.00 67.75 ? 24 ARG Y N 1 ATOM 2636 C CA . ARG D 2 28 ? -26.052 27.422 12.191 1.00 68.48 ? 24 ARG Y CA 1 ATOM 2637 C C . ARG D 2 28 ? -26.345 25.937 12.401 1.00 70.11 ? 24 ARG Y C 1 ATOM 2638 O O . ARG D 2 28 ? -26.215 25.128 11.478 1.00 70.00 ? 24 ARG Y O 1 ATOM 2639 C CB . ARG D 2 28 ? -27.360 28.224 12.123 1.00 67.99 ? 24 ARG Y CB 1 ATOM 2640 C CG . ARG D 2 28 ? -28.474 27.563 11.325 1.00 67.88 ? 24 ARG Y CG 1 ATOM 2641 C CD . ARG D 2 28 ? -29.642 28.496 11.110 1.00 67.37 ? 24 ARG Y CD 1 ATOM 2642 N NE . ARG D 2 28 ? -30.728 27.817 10.408 1.00 67.33 ? 24 ARG Y NE 1 ATOM 2643 C CZ . ARG D 2 28 ? -31.742 28.430 9.801 1.00 67.73 ? 24 ARG Y CZ 1 ATOM 2644 N NH1 . ARG D 2 28 ? -31.849 29.758 9.807 1.00 69.67 ? 24 ARG Y NH1 1 ATOM 2645 N NH2 . ARG D 2 28 ? -32.668 27.706 9.184 1.00 67.33 ? 24 ARG Y NH2 1 ATOM 2646 N N . VAL D 2 29 ? -26.766 25.595 13.615 1.00 70.06 ? 25 VAL Y N 1 ATOM 2647 C CA . VAL D 2 29 ? -26.976 24.206 13.994 1.00 69.43 ? 25 VAL Y CA 1 ATOM 2648 C C . VAL D 2 29 ? -28.313 23.717 13.456 1.00 70.13 ? 25 VAL Y C 1 ATOM 2649 O O . VAL D 2 29 ? -29.359 24.257 13.812 1.00 71.32 ? 25 VAL Y O 1 ATOM 2650 C CB . VAL D 2 29 ? -26.952 24.028 15.526 1.00 67.24 ? 25 VAL Y CB 1 ATOM 2651 C CG1 . VAL D 2 29 ? -27.186 22.566 15.904 1.00 66.57 ? 25 VAL Y CG1 1 ATOM 2652 C CG2 . VAL D 2 29 ? -25.633 24.522 16.096 1.00 67.16 ? 25 VAL Y CG2 1 ATOM 2653 N N . LYS D 2 30 ? -28.263 22.696 12.604 1.00 71.15 ? 26 LYS Y N 1 ATOM 2654 C CA . LYS D 2 30 ? -29.457 22.083 12.033 1.00 72.60 ? 26 LYS Y CA 1 ATOM 2655 C C . LYS D 2 30 ? -29.873 20.900 12.891 1.00 73.02 ? 26 LYS Y C 1 ATOM 2656 O O . LYS D 2 30 ? -31.025 20.810 13.316 1.00 72.63 ? 26 LYS Y O 1 ATOM 2657 C CB . LYS D 2 30 ? -29.182 21.620 10.597 1.00 74.40 ? 26 LYS Y CB 1 ATOM 2658 C CG . LYS D 2 30 ? -30.406 21.069 9.848 1.00 74.39 ? 26 LYS Y CG 1 ATOM 2659 C CD . LYS D 2 30 ? -30.022 20.560 8.453 1.00 74.74 ? 26 LYS Y CD 1 ATOM 2660 C CE . LYS D 2 30 ? -31.116 19.712 7.817 1.00 74.49 ? 26 LYS Y CE 1 ATOM 2661 N NZ . LYS D 2 30 ? -30.598 18.913 6.660 1.00 73.84 ? 26 LYS Y NZ 1 ATOM 2662 N N . GLU D 2 31 ? -28.922 19.996 13.123 1.00 74.37 ? 27 GLU Y N 1 ATOM 2663 C CA . GLU D 2 31 ? -29.112 18.836 13.989 1.00 74.29 ? 27 GLU Y CA 1 ATOM 2664 C C . GLU D 2 31 ? -27.937 18.752 14.963 1.00 73.38 ? 27 GLU Y C 1 ATOM 2665 O O . GLU D 2 31 ? -26.817 19.125 14.619 1.00 73.83 ? 27 GLU Y O 1 ATOM 2666 C CB . GLU D 2 31 ? -29.194 17.557 13.146 1.00 75.97 ? 27 GLU Y CB 1 ATOM 2667 C CG . GLU D 2 31 ? -29.487 16.279 13.947 1.00 77.22 ? 27 GLU Y CG 1 ATOM 2668 C CD . GLU D 2 31 ? -29.442 15.011 13.103 1.00 78.49 ? 27 GLU Y CD 1 ATOM 2669 O OE1 . GLU D 2 31 ? -29.733 15.074 11.888 1.00 81.76 ? 27 GLU Y OE1 1 ATOM 2670 O OE2 . GLU D 2 31 ? -29.129 13.940 13.664 1.00 79.95 ? 27 GLU Y OE2 1 ATOM 2671 N N . ALA D 2 32 ? -28.195 18.251 16.169 1.00 73.48 ? 28 ALA Y N 1 ATOM 2672 C CA . ALA D 2 32 ? -27.159 18.125 17.197 1.00 72.56 ? 28 ALA Y CA 1 ATOM 2673 C C . ALA D 2 32 ? -26.497 16.742 17.211 1.00 72.05 ? 28 ALA Y C 1 ATOM 2674 O O . ALA D 2 32 ? -27.140 15.721 16.973 1.00 71.80 ? 28 ALA Y O 1 ATOM 2675 C CB . ALA D 2 32 ? -27.735 18.444 18.571 1.00 71.26 ? 28 ALA Y CB 1 ATOM 2676 N N . CYS D 2 33 ? -25.192 16.764 17.467 1.00 72.21 ? 29 CYS Y N 1 ATOM 2677 C CA . CYS D 2 33 ? -24.338 15.606 17.772 1.00 72.13 ? 29 CYS Y CA 1 ATOM 2678 C C . CYS D 2 33 ? -24.928 14.488 18.636 1.00 70.88 ? 29 CYS Y C 1 ATOM 2679 O O . CYS D 2 33 ? -25.951 14.653 19.308 1.00 70.67 ? 29 CYS Y O 1 ATOM 2680 C CB . CYS D 2 33 ? -23.177 16.148 18.584 1.00 75.86 ? 29 CYS Y CB 1 ATOM 2681 S SG . CYS D 2 33 ? -23.918 17.226 19.801 1.00 85.14 ? 29 CYS Y SG 1 ATOM 2682 N N . GLY D 2 34 ? -24.224 13.359 18.619 1.00 66.80 ? 30 GLY Y N 1 ATOM 2683 C CA . GLY D 2 34 ? -24.380 12.303 19.605 1.00 65.16 ? 30 GLY Y CA 1 ATOM 2684 C C . GLY D 2 34 ? -23.006 11.923 20.131 1.00 62.64 ? 30 GLY Y C 1 ATOM 2685 O O . GLY D 2 34 ? -22.045 12.677 19.986 1.00 61.27 ? 30 GLY Y O 1 ATOM 2686 N N . GLU D 2 35 ? -22.908 10.751 20.738 1.00 61.15 ? 31 GLU Y N 1 ATOM 2687 C CA . GLU D 2 35 ? -21.637 10.262 21.251 1.00 62.89 ? 31 GLU Y CA 1 ATOM 2688 C C . GLU D 2 35 ? -20.626 10.022 20.115 1.00 64.01 ? 31 GLU Y C 1 ATOM 2689 O O . GLU D 2 35 ? -19.423 10.258 20.274 1.00 63.28 ? 31 GLU Y O 1 ATOM 2690 C CB . GLU D 2 35 ? -21.877 8.968 22.034 1.00 60.95 ? 31 GLU Y CB 1 ATOM 2691 C CG . GLU D 2 35 ? -20.657 8.390 22.723 1.00 61.65 ? 31 GLU Y CG 1 ATOM 2692 C CD . GLU D 2 35 ? -20.164 9.240 23.867 1.00 62.03 ? 31 GLU Y CD 1 ATOM 2693 O OE1 . GLU D 2 35 ? -20.864 10.196 24.244 1.00 62.06 ? 31 GLU Y OE1 1 ATOM 2694 O OE2 . GLU D 2 35 ? -19.076 8.944 24.401 1.00 63.55 ? 31 GLU Y OE2 1 ATOM 2695 N N . LEU D 2 36 ? -21.130 9.550 18.977 1.00 64.89 ? 32 LEU Y N 1 ATOM 2696 C CA . LEU D 2 36 ? -20.300 9.214 17.820 1.00 66.77 ? 32 LEU Y CA 1 ATOM 2697 C C . LEU D 2 36 ? -20.425 10.219 16.688 1.00 67.67 ? 32 LEU Y C 1 ATOM 2698 O O . LEU D 2 36 ? -19.478 10.443 15.930 1.00 66.79 ? 32 LEU Y O 1 ATOM 2699 C CB . LEU D 2 36 ? -20.703 7.847 17.274 1.00 68.84 ? 32 LEU Y CB 1 ATOM 2700 C CG . LEU D 2 36 ? -19.774 6.687 17.566 1.00 72.70 ? 32 LEU Y CG 1 ATOM 2701 C CD1 . LEU D 2 36 ? -20.414 5.413 17.055 1.00 74.34 ? 32 LEU Y CD1 1 ATOM 2702 C CD2 . LEU D 2 36 ? -18.417 6.916 16.915 1.00 75.71 ? 32 LEU Y CD2 1 ATOM 2703 N N . THR D 2 37 ? -21.610 10.803 16.566 1.00 69.92 ? 33 THR Y N 1 ATOM 2704 C CA . THR D 2 37 ? -21.948 11.629 15.424 1.00 69.49 ? 33 THR Y CA 1 ATOM 2705 C C . THR D 2 37 ? -21.490 13.052 15.730 1.00 68.15 ? 33 THR Y C 1 ATOM 2706 O O . THR D 2 37 ? -21.513 13.476 16.883 1.00 67.89 ? 33 THR Y O 1 ATOM 2707 C CB . THR D 2 37 ? -23.479 11.620 15.132 1.00 74.13 ? 33 THR Y CB 1 ATOM 2708 O OG1 . THR D 2 37 ? -24.074 12.862 15.581 1.00 79.80 ? 33 THR Y OG1 1 ATOM 2709 C CG2 . THR D 2 37 ? -24.193 10.442 15.828 1.00 75.94 ? 33 THR Y CG2 1 ATOM 2710 N N . GLY D 2 38 ? -21.069 13.777 14.701 1.00 66.07 ? 34 GLY Y N 1 ATOM 2711 C CA . GLY D 2 38 ? -20.719 15.186 14.839 1.00 65.70 ? 34 GLY Y CA 1 ATOM 2712 C C . GLY D 2 38 ? -21.905 16.106 14.597 1.00 66.20 ? 34 GLY Y C 1 ATOM 2713 O O . GLY D 2 38 ? -22.987 15.671 14.174 1.00 65.55 ? 34 GLY Y O 1 ATOM 2714 N N . THR D 2 39 ? -21.693 17.391 14.865 1.00 66.16 ? 35 THR Y N 1 ATOM 2715 C CA . THR D 2 39 ? -22.724 18.403 14.705 1.00 65.74 ? 35 THR Y CA 1 ATOM 2716 C C . THR D 2 39 ? -22.942 18.660 13.224 1.00 66.34 ? 35 THR Y C 1 ATOM 2717 O O . THR D 2 39 ? -21.983 18.834 12.464 1.00 65.11 ? 35 THR Y O 1 ATOM 2718 C CB . THR D 2 39 ? -22.329 19.739 15.393 1.00 66.60 ? 35 THR Y CB 1 ATOM 2719 O OG1 . THR D 2 39 ? -22.058 19.514 16.784 1.00 65.73 ? 35 THR Y OG1 1 ATOM 2720 C CG2 . THR D 2 39 ? -23.442 20.777 15.259 1.00 65.88 ? 35 THR Y CG2 1 ATOM 2721 N N . VAL D 2 40 ? -24.208 18.673 12.818 1.00 67.44 ? 36 VAL Y N 1 ATOM 2722 C CA . VAL D 2 40 ? -24.575 19.012 11.451 1.00 67.17 ? 36 VAL Y CA 1 ATOM 2723 C C . VAL D 2 40 ? -24.873 20.504 11.425 1.00 68.58 ? 36 VAL Y C 1 ATOM 2724 O O . VAL D 2 40 ? -25.703 20.992 12.197 1.00 68.00 ? 36 VAL Y O 1 ATOM 2725 C CB . VAL D 2 40 ? -25.811 18.226 10.976 1.00 67.55 ? 36 VAL Y CB 1 ATOM 2726 C CG1 . VAL D 2 40 ? -26.078 18.494 9.507 1.00 69.09 ? 36 VAL Y CG1 1 ATOM 2727 C CG2 . VAL D 2 40 ? -25.627 16.731 11.215 1.00 67.47 ? 36 VAL Y CG2 1 ATOM 2728 N N . CYS D 2 41 ? -24.181 21.219 10.544 1.00 69.82 ? 37 CYS Y N 1 ATOM 2729 C CA . CYS D 2 41 ? -24.346 22.658 10.398 1.00 69.70 ? 37 CYS Y CA 1 ATOM 2730 C C . CYS D 2 41 ? -24.980 22.985 9.045 1.00 71.46 ? 37 CYS Y C 1 ATOM 2731 O O . CYS D 2 41 ? -25.089 22.123 8.170 1.00 71.75 ? 37 CYS Y O 1 ATOM 2732 C CB . CYS D 2 41 ? -22.997 23.357 10.542 1.00 69.75 ? 37 CYS Y CB 1 ATOM 2733 S SG . CYS D 2 41 ? -22.194 23.070 12.127 1.00 70.68 ? 37 CYS Y SG 1 ATOM 2734 N N . GLU D 2 42 ? -25.368 24.245 8.878 1.00 72.87 ? 38 GLU Y N 1 ATOM 2735 C CA . GLU D 2 42 ? -26.259 24.656 7.798 1.00 71.72 ? 38 GLU Y CA 1 ATOM 2736 C C . GLU D 2 42 ? -26.087 26.165 7.576 1.00 70.06 ? 38 GLU Y C 1 ATOM 2737 O O . GLU D 2 42 ? -26.233 26.937 8.522 1.00 71.30 ? 38 GLU Y O 1 ATOM 2738 C CB . GLU D 2 42 ? -27.685 24.307 8.224 1.00 73.48 ? 38 GLU Y CB 1 ATOM 2739 C CG . GLU D 2 42 ? -28.821 24.874 7.408 1.00 74.64 ? 38 GLU Y CG 1 ATOM 2740 C CD . GLU D 2 42 ? -30.154 24.626 8.091 1.00 76.01 ? 38 GLU Y CD 1 ATOM 2741 O OE1 . GLU D 2 42 ? -30.409 25.255 9.137 1.00 76.76 ? 38 GLU Y OE1 1 ATOM 2742 O OE2 . GLU D 2 42 ? -30.940 23.792 7.595 1.00 79.71 ? 38 GLU Y OE2 1 ATOM 2743 N N . PRO D 2 43 ? -25.754 26.585 6.341 1.00 68.26 ? 39 PRO Y N 1 ATOM 2744 C CA . PRO D 2 43 ? -25.479 27.992 6.009 1.00 69.15 ? 39 PRO Y CA 1 ATOM 2745 C C . PRO D 2 43 ? -26.505 29.002 6.531 1.00 68.72 ? 39 PRO Y C 1 ATOM 2746 O O . PRO D 2 43 ? -27.701 28.713 6.562 1.00 68.27 ? 39 PRO Y O 1 ATOM 2747 C CB . PRO D 2 43 ? -25.508 28.001 4.478 1.00 68.49 ? 39 PRO Y CB 1 ATOM 2748 C CG . PRO D 2 43 ? -25.130 26.639 4.081 1.00 69.59 ? 39 PRO Y CG 1 ATOM 2749 C CD . PRO D 2 43 ? -25.600 25.709 5.166 1.00 69.41 ? 39 PRO Y CD 1 ATOM 2750 N N . CYS D 2 44 ? -26.033 30.184 6.917 1.00 69.12 ? 40 CYS Y N 1 ATOM 2751 C CA . CYS D 2 44 ? -26.929 31.264 7.330 1.00 71.24 ? 40 CYS Y CA 1 ATOM 2752 C C . CYS D 2 44 ? -27.769 31.773 6.158 1.00 70.75 ? 40 CYS Y C 1 ATOM 2753 O O . CYS D 2 44 ? -27.246 31.949 5.059 1.00 67.30 ? 40 CYS Y O 1 ATOM 2754 C CB . CYS D 2 44 ? -26.148 32.429 7.939 1.00 72.00 ? 40 CYS Y CB 1 ATOM 2755 S SG . CYS D 2 44 ? -25.635 32.130 9.627 1.00 73.39 ? 40 CYS Y SG 1 ATOM 2756 N N . PRO D 2 45 ? -29.079 31.996 6.390 1.00 72.34 ? 41 PRO Y N 1 ATOM 2757 C CA . PRO D 2 45 ? -29.948 32.554 5.349 1.00 71.81 ? 41 PRO Y CA 1 ATOM 2758 C C . PRO D 2 45 ? -29.566 33.966 4.896 1.00 71.68 ? 41 PRO Y C 1 ATOM 2759 O O . PRO D 2 45 ? -28.908 34.703 5.637 1.00 70.04 ? 41 PRO Y O 1 ATOM 2760 C CB . PRO D 2 45 ? -31.330 32.589 6.012 1.00 72.40 ? 41 PRO Y CB 1 ATOM 2761 C CG . PRO D 2 45 ? -31.244 31.684 7.179 1.00 72.99 ? 41 PRO Y CG 1 ATOM 2762 C CD . PRO D 2 45 ? -29.827 31.683 7.622 1.00 72.83 ? 41 PRO Y CD 1 ATOM 2763 N N . PRO D 2 46 ? -29.987 34.345 3.679 1.00 71.86 ? 42 PRO Y N 1 ATOM 2764 C CA . PRO D 2 46 ? -29.799 35.715 3.202 1.00 71.42 ? 42 PRO Y CA 1 ATOM 2765 C C . PRO D 2 46 ? -30.328 36.753 4.193 1.00 70.74 ? 42 PRO Y C 1 ATOM 2766 O O . PRO D 2 46 ? -31.423 36.588 4.736 1.00 68.97 ? 42 PRO Y O 1 ATOM 2767 C CB . PRO D 2 46 ? -30.613 35.750 1.905 1.00 71.00 ? 42 PRO Y CB 1 ATOM 2768 C CG . PRO D 2 46 ? -30.652 34.343 1.443 1.00 71.05 ? 42 PRO Y CG 1 ATOM 2769 C CD . PRO D 2 46 ? -30.658 33.497 2.677 1.00 71.08 ? 42 PRO Y CD 1 ATOM 2770 N N . GLY D 2 47 ? -29.538 37.800 4.426 1.00 71.43 ? 43 GLY Y N 1 ATOM 2771 C CA . GLY D 2 47 ? -29.890 38.857 5.374 1.00 71.08 ? 43 GLY Y CA 1 ATOM 2772 C C . GLY D 2 47 ? -29.535 38.574 6.827 1.00 71.78 ? 43 GLY Y C 1 ATOM 2773 O O . GLY D 2 47 ? -29.836 39.393 7.698 1.00 73.70 ? 43 GLY Y O 1 ATOM 2774 N N . THR D 2 48 ? -28.897 37.428 7.090 1.00 71.52 ? 44 THR Y N 1 ATOM 2775 C CA . THR D 2 48 ? -28.479 37.034 8.444 1.00 70.73 ? 44 THR Y CA 1 ATOM 2776 C C . THR D 2 48 ? -27.037 36.527 8.444 1.00 70.31 ? 44 THR Y C 1 ATOM 2777 O O . THR D 2 48 ? -26.487 36.213 7.385 1.00 69.62 ? 44 THR Y O 1 ATOM 2778 C CB . THR D 2 48 ? -29.374 35.918 9.010 1.00 71.19 ? 44 THR Y CB 1 ATOM 2779 O OG1 . THR D 2 48 ? -29.198 34.720 8.244 1.00 72.54 ? 44 THR Y OG1 1 ATOM 2780 C CG2 . THR D 2 48 ? -30.834 36.328 8.974 1.00 71.77 ? 44 THR Y CG2 1 ATOM 2781 N N . TYR D 2 49 ? -26.437 36.422 9.629 1.00 70.74 ? 45 TYR Y N 1 ATOM 2782 C CA . TYR D 2 49 ? -25.016 36.085 9.738 1.00 72.47 ? 45 TYR Y CA 1 ATOM 2783 C C . TYR D 2 49 ? -24.624 35.517 11.108 1.00 72.94 ? 45 TYR Y C 1 ATOM 2784 O O . TYR D 2 49 ? -25.338 35.711 12.098 1.00 73.53 ? 45 TYR Y O 1 ATOM 2785 C CB . TYR D 2 49 ? -24.187 37.345 9.494 1.00 74.41 ? 45 TYR Y CB 1 ATOM 2786 C CG . TYR D 2 49 ? -24.051 38.192 10.736 1.00 74.64 ? 45 TYR Y CG 1 ATOM 2787 C CD1 . TYR D 2 49 ? -25.132 38.900 11.235 1.00 74.11 ? 45 TYR Y CD1 1 ATOM 2788 C CD2 . TYR D 2 49 ? -22.847 38.253 11.434 1.00 76.07 ? 45 TYR Y CD2 1 ATOM 2789 C CE1 . TYR D 2 49 ? -25.016 39.667 12.387 1.00 74.73 ? 45 TYR Y CE1 1 ATOM 2790 C CE2 . TYR D 2 49 ? -22.720 39.017 12.586 1.00 74.98 ? 45 TYR Y CE2 1 ATOM 2791 C CZ . TYR D 2 49 ? -23.806 39.720 13.057 1.00 74.64 ? 45 TYR Y CZ 1 ATOM 2792 O OH . TYR D 2 49 ? -23.681 40.478 14.198 1.00 75.25 ? 45 TYR Y OH 1 ATOM 2793 N N . ILE D 2 50 ? -23.483 34.823 11.150 1.00 72.81 ? 46 ILE Y N 1 ATOM 2794 C CA . ILE D 2 50 ? -22.793 34.492 12.409 1.00 73.31 ? 46 ILE Y CA 1 ATOM 2795 C C . ILE D 2 50 ? -21.275 34.603 12.239 1.00 73.55 ? 46 ILE Y C 1 ATOM 2796 O O . ILE D 2 50 ? -20.689 33.968 11.361 1.00 72.67 ? 46 ILE Y O 1 ATOM 2797 C CB . ILE D 2 50 ? -23.122 33.088 12.942 1.00 72.86 ? 46 ILE Y CB 1 ATOM 2798 C CG1 . ILE D 2 50 ? -24.636 32.893 13.065 1.00 74.19 ? 46 ILE Y CG1 1 ATOM 2799 C CG2 . ILE D 2 50 ? -22.470 32.906 14.305 1.00 73.41 ? 46 ILE Y CG2 1 ATOM 2800 C CD1 . ILE D 2 50 ? -25.060 31.558 13.652 1.00 74.31 ? 46 ILE Y CD1 1 ATOM 2801 N N . ALA D 2 51 ? -20.650 35.390 13.112 1.00 74.56 ? 47 ALA Y N 1 ATOM 2802 C CA . ALA D 2 51 ? -19.267 35.828 12.933 1.00 74.58 ? 47 ALA Y CA 1 ATOM 2803 C C . ALA D 2 51 ? -18.233 34.881 13.530 1.00 74.46 ? 47 ALA Y C 1 ATOM 2804 O O . ALA D 2 51 ? -17.092 34.848 13.071 1.00 75.26 ? 47 ALA Y O 1 ATOM 2805 C CB . ALA D 2 51 ? -19.090 37.219 13.524 1.00 74.25 ? 47 ALA Y CB 1 ATOM 2806 N N . HIS D 2 52 ? -18.627 34.127 14.552 1.00 74.51 ? 48 HIS Y N 1 ATOM 2807 C CA . HIS D 2 52 ? -17.703 33.254 15.276 1.00 76.68 ? 48 HIS Y CA 1 ATOM 2808 C C . HIS D 2 52 ? -18.259 31.837 15.399 1.00 77.85 ? 48 HIS Y C 1 ATOM 2809 O O . HIS D 2 52 ? -19.441 31.598 15.132 1.00 78.49 ? 48 HIS Y O 1 ATOM 2810 C CB . HIS D 2 52 ? -17.442 33.815 16.678 1.00 77.37 ? 48 HIS Y CB 1 ATOM 2811 C CG . HIS D 2 52 ? -17.068 35.264 16.690 1.00 77.83 ? 48 HIS Y CG 1 ATOM 2812 N ND1 . HIS D 2 52 ? -17.916 36.248 17.154 1.00 78.44 ? 48 HIS Y ND1 1 ATOM 2813 C CD2 . HIS D 2 52 ? -15.943 35.898 16.285 1.00 78.34 ? 48 HIS Y CD2 1 ATOM 2814 C CE1 . HIS D 2 52 ? -17.326 37.424 17.041 1.00 78.77 ? 48 HIS Y CE1 1 ATOM 2815 N NE2 . HIS D 2 52 ? -16.128 37.240 16.515 1.00 79.58 ? 48 HIS Y NE2 1 ATOM 2816 N N . LEU D 2 53 ? -17.400 30.901 15.806 1.00 77.41 ? 49 LEU Y N 1 ATOM 2817 C CA . LEU D 2 53 ? -17.851 29.557 16.170 1.00 77.12 ? 49 LEU Y CA 1 ATOM 2818 C C . LEU D 2 53 ? -19.063 29.679 17.097 1.00 76.68 ? 49 LEU Y C 1 ATOM 2819 O O . LEU D 2 53 ? -19.058 30.485 18.032 1.00 77.22 ? 49 LEU Y O 1 ATOM 2820 C CB . LEU D 2 53 ? -16.733 28.758 16.850 1.00 78.34 ? 49 LEU Y CB 1 ATOM 2821 C CG . LEU D 2 53 ? -15.949 27.756 15.998 1.00 80.25 ? 49 LEU Y CG 1 ATOM 2822 C CD1 . LEU D 2 53 ? -15.150 28.451 14.913 1.00 81.57 ? 49 LEU Y CD1 1 ATOM 2823 C CD2 . LEU D 2 53 ? -15.029 26.928 16.887 1.00 79.60 ? 49 LEU Y CD2 1 ATOM 2824 N N . ASN D 2 54 ? -20.101 28.893 16.830 1.00 75.37 ? 50 ASN Y N 1 ATOM 2825 C CA . ASN D 2 54 ? -21.386 29.090 17.486 1.00 75.13 ? 50 ASN Y CA 1 ATOM 2826 C C . ASN D 2 54 ? -22.201 27.820 17.638 1.00 74.79 ? 50 ASN Y C 1 ATOM 2827 O O . ASN D 2 54 ? -22.047 26.872 16.868 1.00 76.55 ? 50 ASN Y O 1 ATOM 2828 C CB . ASN D 2 54 ? -22.211 30.067 16.668 1.00 76.02 ? 50 ASN Y CB 1 ATOM 2829 C CG . ASN D 2 54 ? -22.619 29.492 15.334 1.00 75.97 ? 50 ASN Y CG 1 ATOM 2830 O OD1 . ASN D 2 54 ? -23.720 28.963 15.185 1.00 76.87 ? 50 ASN Y OD1 1 ATOM 2831 N ND2 . ASN D 2 54 ? -21.724 29.569 14.362 1.00 76.40 ? 50 ASN Y ND2 1 ATOM 2832 N N . GLY D 2 55 ? -23.089 27.824 18.625 1.00 73.86 ? 51 GLY Y N 1 ATOM 2833 C CA . GLY D 2 55 ? -24.028 26.729 18.833 1.00 74.03 ? 51 GLY Y CA 1 ATOM 2834 C C . GLY D 2 55 ? -25.438 27.244 18.679 1.00 73.65 ? 51 GLY Y C 1 ATOM 2835 O O . GLY D 2 55 ? -26.355 26.781 19.359 1.00 72.74 ? 51 GLY Y O 1 ATOM 2836 N N . LEU D 2 56 ? -25.605 28.201 17.769 1.00 73.35 ? 52 LEU Y N 1 ATOM 2837 C CA . LEU D 2 56 ? -26.880 28.880 17.577 1.00 73.48 ? 52 LEU Y CA 1 ATOM 2838 C C . LEU D 2 56 ? -27.701 28.176 16.518 1.00 71.72 ? 52 LEU Y C 1 ATOM 2839 O O . LEU D 2 56 ? -27.191 27.846 15.448 1.00 70.89 ? 52 LEU Y O 1 ATOM 2840 C CB . LEU D 2 56 ? -26.649 30.326 17.152 1.00 74.95 ? 52 LEU Y CB 1 ATOM 2841 C CG . LEU D 2 56 ? -25.873 31.190 18.144 1.00 75.65 ? 52 LEU Y CG 1 ATOM 2842 C CD1 . LEU D 2 56 ? -25.602 32.549 17.524 1.00 76.70 ? 52 LEU Y CD1 1 ATOM 2843 C CD2 . LEU D 2 56 ? -26.636 31.333 19.457 1.00 76.20 ? 52 LEU Y CD2 1 ATOM 2844 N N . SER D 2 57 ? -28.976 27.955 16.820 1.00 71.25 ? 53 SER Y N 1 ATOM 2845 C CA . SER D 2 57 ? -29.892 27.324 15.880 1.00 72.95 ? 53 SER Y CA 1 ATOM 2846 C C . SER D 2 57 ? -30.536 28.364 14.973 1.00 73.62 ? 53 SER Y C 1 ATOM 2847 O O . SER D 2 57 ? -31.412 28.035 14.177 1.00 75.04 ? 53 SER Y O 1 ATOM 2848 C CB . SER D 2 57 ? -30.970 26.566 16.642 1.00 73.29 ? 53 SER Y CB 1 ATOM 2849 O OG . SER D 2 57 ? -31.622 27.430 17.552 1.00 75.00 ? 53 SER Y OG 1 ATOM 2850 N N . LYS D 2 58 ? -30.098 29.615 15.100 1.00 75.03 ? 54 LYS Y N 1 ATOM 2851 C CA . LYS D 2 58 ? -30.622 30.716 14.311 1.00 74.82 ? 54 LYS Y CA 1 ATOM 2852 C C . LYS D 2 58 ? -29.551 31.806 14.187 1.00 75.08 ? 54 LYS Y C 1 ATOM 2853 O O . LYS D 2 58 ? -28.924 32.169 15.179 1.00 75.58 ? 54 LYS Y O 1 ATOM 2854 C CB . LYS D 2 58 ? -31.885 31.265 14.980 1.00 76.39 ? 54 LYS Y CB 1 ATOM 2855 C CG . LYS D 2 58 ? -32.620 32.337 14.181 1.00 77.91 ? 54 LYS Y CG 1 ATOM 2856 C CD . LYS D 2 58 ? -33.367 31.737 12.992 1.00 79.37 ? 54 LYS Y CD 1 ATOM 2857 C CE . LYS D 2 58 ? -33.738 32.792 11.950 1.00 79.60 ? 54 LYS Y CE 1 ATOM 2858 N NZ . LYS D 2 58 ? -33.876 32.184 10.583 1.00 79.20 ? 54 LYS Y NZ 1 ATOM 2859 N N . CYS D 2 59 ? -29.338 32.316 12.973 1.00 74.59 ? 55 CYS Y N 1 ATOM 2860 C CA . CYS D 2 59 ? -28.325 33.352 12.738 1.00 74.70 ? 55 CYS Y CA 1 ATOM 2861 C C . CYS D 2 59 ? -28.855 34.725 13.147 1.00 75.25 ? 55 CYS Y C 1 ATOM 2862 O O . CYS D 2 59 ? -30.066 34.947 13.136 1.00 75.36 ? 55 CYS Y O 1 ATOM 2863 C CB . CYS D 2 59 ? -27.906 33.375 11.265 1.00 74.91 ? 55 CYS Y CB 1 ATOM 2864 S SG . CYS D 2 59 ? -27.385 31.769 10.619 1.00 74.57 ? 55 CYS Y SG 1 ATOM 2865 N N . LEU D 2 60 ? -27.950 35.638 13.507 1.00 74.80 ? 56 LEU Y N 1 ATOM 2866 C CA . LEU D 2 60 ? -28.333 36.996 13.913 1.00 74.37 ? 56 LEU Y CA 1 ATOM 2867 C C . LEU D 2 60 ? -28.619 37.863 12.693 1.00 74.25 ? 56 LEU Y C 1 ATOM 2868 O O . LEU D 2 60 ? -28.119 37.591 11.604 1.00 74.54 ? 56 LEU Y O 1 ATOM 2869 C CB . LEU D 2 60 ? -27.242 37.657 14.757 1.00 73.82 ? 56 LEU Y CB 1 ATOM 2870 C CG . LEU D 2 60 ? -26.779 36.907 16.008 1.00 74.91 ? 56 LEU Y CG 1 ATOM 2871 C CD1 . LEU D 2 60 ? -25.338 36.468 15.854 1.00 76.44 ? 56 LEU Y CD1 1 ATOM 2872 C CD2 . LEU D 2 60 ? -26.907 37.758 17.250 1.00 75.97 ? 56 LEU Y CD2 1 ATOM 2873 N N . GLN D 2 61 ? -29.416 38.911 12.886 1.00 75.98 ? 57 GLN Y N 1 ATOM 2874 C CA . GLN D 2 61 ? -29.820 39.806 11.790 1.00 76.44 ? 57 GLN Y CA 1 ATOM 2875 C C . GLN D 2 61 ? -28.719 40.791 11.403 1.00 75.89 ? 57 GLN Y C 1 ATOM 2876 O O . GLN D 2 61 ? -28.078 41.385 12.269 1.00 74.70 ? 57 GLN Y O 1 ATOM 2877 C CB . GLN D 2 61 ? -31.079 40.591 12.173 1.00 75.64 ? 57 GLN Y CB 1 ATOM 2878 C CG . GLN D 2 61 ? -32.353 39.764 12.154 1.00 76.22 ? 57 GLN Y CG 1 ATOM 2879 C CD . GLN D 2 61 ? -32.883 39.489 10.753 1.00 78.17 ? 57 GLN Y CD 1 ATOM 2880 O OE1 . GLN D 2 61 ? -33.869 38.777 10.595 1.00 80.48 ? 57 GLN Y OE1 1 ATOM 2881 N NE2 . GLN D 2 61 ? -32.239 40.056 9.735 1.00 78.71 ? 57 GLN Y NE2 1 ATOM 2882 N N . CYS D 2 62 ? -28.512 40.959 10.098 1.00 76.84 ? 58 CYS Y N 1 ATOM 2883 C CA . CYS D 2 62 ? -27.556 41.939 9.588 1.00 77.47 ? 58 CYS Y CA 1 ATOM 2884 C C . CYS D 2 62 ? -28.030 43.341 9.936 1.00 77.16 ? 58 CYS Y C 1 ATOM 2885 O O . CYS D 2 62 ? -29.229 43.622 9.907 1.00 76.13 ? 58 CYS Y O 1 ATOM 2886 C CB . CYS D 2 62 ? -27.416 41.839 8.066 1.00 79.72 ? 58 CYS Y CB 1 ATOM 2887 S SG . CYS D 2 62 ? -26.680 40.317 7.443 1.00 83.37 ? 58 CYS Y SG 1 ATOM 2888 N N . GLN D 2 63 ? -27.084 44.212 10.268 1.00 76.77 ? 59 GLN Y N 1 ATOM 2889 C CA . GLN D 2 63 ? -27.367 45.624 10.456 1.00 76.06 ? 59 GLN Y CA 1 ATOM 2890 C C . GLN D 2 63 ? -27.770 46.203 9.110 1.00 75.51 ? 59 GLN Y C 1 ATOM 2891 O O . GLN D 2 63 ? -27.200 45.841 8.083 1.00 74.65 ? 59 GLN Y O 1 ATOM 2892 C CB . GLN D 2 63 ? -26.124 46.340 10.992 1.00 76.93 ? 59 GLN Y CB 1 ATOM 2893 C CG . GLN D 2 63 ? -26.270 47.850 11.223 1.00 78.10 ? 59 GLN Y CG 1 ATOM 2894 C CD . GLN D 2 63 ? -26.875 48.207 12.575 1.00 78.94 ? 59 GLN Y CD 1 ATOM 2895 O OE1 . GLN D 2 63 ? -27.765 47.520 13.083 1.00 80.34 ? 59 GLN Y OE1 1 ATOM 2896 N NE2 . GLN D 2 63 ? -26.390 49.294 13.163 1.00 79.00 ? 59 GLN Y NE2 1 ATOM 2897 N N . MET D 2 64 ? -28.766 47.084 9.119 1.00 77.90 ? 60 MET Y N 1 ATOM 2898 C CA . MET D 2 64 ? -29.177 47.808 7.917 1.00 77.71 ? 60 MET Y CA 1 ATOM 2899 C C . MET D 2 64 ? -28.541 49.195 7.961 1.00 75.39 ? 60 MET Y C 1 ATOM 2900 O O . MET D 2 64 ? -28.440 49.791 9.030 1.00 74.04 ? 60 MET Y O 1 ATOM 2901 C CB . MET D 2 64 ? -30.706 47.936 7.859 1.00 82.99 ? 60 MET Y CB 1 ATOM 2902 C CG . MET D 2 64 ? -31.314 47.526 6.524 1.00 85.36 ? 60 MET Y CG 1 ATOM 2903 S SD . MET D 2 64 ? -31.384 45.726 6.376 1.00 90.02 ? 60 MET Y SD 1 ATOM 2904 C CE . MET D 2 64 ? -31.344 45.506 4.590 1.00 87.58 ? 60 MET Y CE 1 ATOM 2905 N N . CYS D 2 65 ? -28.095 49.696 6.812 1.00 73.53 ? 61 CYS Y N 1 ATOM 2906 C CA . CYS D 2 65 ? -27.586 51.063 6.720 1.00 73.08 ? 61 CYS Y CA 1 ATOM 2907 C C . CYS D 2 65 ? -28.536 51.887 5.857 1.00 71.46 ? 61 CYS Y C 1 ATOM 2908 O O . CYS D 2 65 ? -28.471 51.847 4.633 1.00 70.64 ? 61 CYS Y O 1 ATOM 2909 C CB . CYS D 2 65 ? -26.170 51.091 6.145 1.00 73.98 ? 61 CYS Y CB 1 ATOM 2910 S SG . CYS D 2 65 ? -24.913 50.171 7.094 1.00 76.16 ? 61 CYS Y SG 1 ATOM 2911 N N . ASP D 2 66 ? -29.423 52.627 6.514 1.00 71.03 ? 62 ASP Y N 1 ATOM 2912 C CA . ASP D 2 66 ? -30.453 53.394 5.832 1.00 71.15 ? 62 ASP Y CA 1 ATOM 2913 C C . ASP D 2 66 ? -29.868 54.671 5.226 1.00 71.15 ? 62 ASP Y C 1 ATOM 2914 O O . ASP D 2 66 ? -29.361 55.519 5.959 1.00 70.14 ? 62 ASP Y O 1 ATOM 2915 C CB . ASP D 2 66 ? -31.564 53.749 6.818 1.00 70.33 ? 62 ASP Y CB 1 ATOM 2916 C CG . ASP D 2 66 ? -32.756 54.402 6.153 1.00 70.10 ? 62 ASP Y CG 1 ATOM 2917 O OD1 . ASP D 2 66 ? -32.595 55.041 5.093 1.00 68.93 ? 62 ASP Y OD1 1 ATOM 2918 O OD2 . ASP D 2 66 ? -33.866 54.277 6.701 1.00 71.66 ? 62 ASP Y OD2 1 ATOM 2919 N N . PRO D 2 67 ? -29.946 54.816 3.886 1.00 71.97 ? 63 PRO Y N 1 ATOM 2920 C CA . PRO D 2 67 ? -29.465 56.039 3.230 1.00 70.80 ? 63 PRO Y CA 1 ATOM 2921 C C . PRO D 2 67 ? -30.207 57.299 3.670 1.00 69.78 ? 63 PRO Y C 1 ATOM 2922 O O . PRO D 2 67 ? -29.609 58.374 3.719 1.00 69.32 ? 63 PRO Y O 1 ATOM 2923 C CB . PRO D 2 67 ? -29.720 55.769 1.739 1.00 71.61 ? 63 PRO Y CB 1 ATOM 2924 C CG . PRO D 2 67 ? -29.835 54.287 1.626 1.00 71.95 ? 63 PRO Y CG 1 ATOM 2925 C CD . PRO D 2 67 ? -30.474 53.851 2.902 1.00 72.16 ? 63 PRO Y CD 1 ATOM 2926 N N . ALA D 2 68 ? -31.492 57.163 3.992 1.00 68.99 ? 64 ALA Y N 1 ATOM 2927 C CA . ALA D 2 68 ? -32.293 58.293 4.474 1.00 68.77 ? 64 ALA Y CA 1 ATOM 2928 C C . ALA D 2 68 ? -31.786 58.829 5.821 1.00 67.93 ? 64 ALA Y C 1 ATOM 2929 O O . ALA D 2 68 ? -32.114 59.951 6.207 1.00 67.36 ? 64 ALA Y O 1 ATOM 2930 C CB . ALA D 2 68 ? -33.766 57.903 4.573 1.00 69.10 ? 64 ALA Y CB 1 ATOM 2931 N N . MET D 2 69 ? -30.989 58.021 6.525 1.00 67.15 ? 65 MET Y N 1 ATOM 2932 C CA . MET D 2 69 ? -30.309 58.450 7.746 1.00 66.88 ? 65 MET Y CA 1 ATOM 2933 C C . MET D 2 69 ? -28.854 58.857 7.485 1.00 65.50 ? 65 MET Y C 1 ATOM 2934 O O . MET D 2 69 ? -28.070 59.004 8.426 1.00 63.84 ? 65 MET Y O 1 ATOM 2935 C CB . MET D 2 69 ? -30.368 57.334 8.787 1.00 66.28 ? 65 MET Y CB 1 ATOM 2936 C CG . MET D 2 69 ? -31.780 56.803 9.001 1.00 67.73 ? 65 MET Y CG 1 ATOM 2937 S SD . MET D 2 69 ? -32.334 56.845 10.703 1.00 69.39 ? 65 MET Y SD 1 ATOM 2938 C CE . MET D 2 69 ? -32.249 58.604 11.043 1.00 69.59 ? 65 MET Y CE 1 ATOM 2939 N N . GLY D 2 70 ? -28.505 59.053 6.212 1.00 66.08 ? 66 GLY Y N 1 ATOM 2940 C CA . GLY D 2 70 ? -27.160 59.473 5.816 1.00 68.83 ? 66 GLY Y CA 1 ATOM 2941 C C . GLY D 2 70 ? -26.106 58.385 5.955 1.00 70.93 ? 66 GLY Y C 1 ATOM 2942 O O . GLY D 2 70 ? -24.931 58.678 6.189 1.00 71.32 ? 66 GLY Y O 1 ATOM 2943 N N . LEU D 2 71 ? -26.516 57.130 5.791 1.00 71.57 ? 67 LEU Y N 1 ATOM 2944 C CA . LEU D 2 71 ? -25.625 56.006 6.012 1.00 73.64 ? 67 LEU Y CA 1 ATOM 2945 C C . LEU D 2 71 ? -25.363 55.240 4.725 1.00 76.76 ? 67 LEU Y C 1 ATOM 2946 O O . LEU D 2 71 ? -26.299 54.847 4.027 1.00 77.80 ? 67 LEU Y O 1 ATOM 2947 C CB . LEU D 2 71 ? -26.221 55.057 7.047 1.00 73.10 ? 67 LEU Y CB 1 ATOM 2948 C CG . LEU D 2 71 ? -26.527 55.640 8.426 1.00 72.64 ? 67 LEU Y CG 1 ATOM 2949 C CD1 . LEU D 2 71 ? -27.287 54.615 9.253 1.00 72.89 ? 67 LEU Y CD1 1 ATOM 2950 C CD2 . LEU D 2 71 ? -25.252 56.072 9.135 1.00 72.23 ? 67 LEU Y CD2 1 ATOM 2951 N N . ARG D 2 72 ? -24.084 55.050 4.414 1.00 79.12 ? 68 ARG Y N 1 ATOM 2952 C CA . ARG D 2 72 ? -23.664 54.127 3.376 1.00 79.68 ? 68 ARG Y CA 1 ATOM 2953 C C . ARG D 2 72 ? -22.913 53.005 4.063 1.00 79.68 ? 68 ARG Y C 1 ATOM 2954 O O . ARG D 2 72 ? -22.084 53.258 4.937 1.00 79.92 ? 68 ARG Y O 1 ATOM 2955 C CB . ARG D 2 72 ? -22.763 54.818 2.352 1.00 82.57 ? 68 ARG Y CB 1 ATOM 2956 C CG . ARG D 2 72 ? -22.212 53.867 1.293 1.00 82.90 ? 68 ARG Y CG 1 ATOM 2957 C CD . ARG D 2 72 ? -22.117 54.501 -0.092 1.00 85.23 ? 68 ARG Y CD 1 ATOM 2958 N NE . ARG D 2 72 ? -21.984 53.478 -1.140 1.00 86.72 ? 68 ARG Y NE 1 ATOM 2959 C CZ . ARG D 2 72 ? -21.997 53.720 -2.452 1.00 88.44 ? 68 ARG Y CZ 1 ATOM 2960 N NH1 . ARG D 2 72 ? -22.132 54.964 -2.917 1.00 88.56 ? 68 ARG Y NH1 1 ATOM 2961 N NH2 . ARG D 2 72 ? -21.870 52.708 -3.311 1.00 88.27 ? 68 ARG Y NH2 1 ATOM 2962 N N . ALA D 2 73 ? -23.210 51.767 3.676 1.00 78.91 ? 69 ALA Y N 1 ATOM 2963 C CA . ALA D 2 73 ? -22.549 50.607 4.259 1.00 78.35 ? 69 ALA Y CA 1 ATOM 2964 C C . ALA D 2 73 ? -21.086 50.585 3.844 1.00 77.76 ? 69 ALA Y C 1 ATOM 2965 O O . ALA D 2 73 ? -20.779 50.493 2.656 1.00 76.83 ? 69 ALA Y O 1 ATOM 2966 C CB . ALA D 2 73 ? -23.235 49.330 3.816 1.00 77.61 ? 69 ALA Y CB 1 ATOM 2967 N N . SER D 2 74 ? -20.187 50.691 4.821 1.00 78.96 ? 70 SER Y N 1 ATOM 2968 C CA . SER D 2 74 ? -18.753 50.548 4.561 1.00 80.65 ? 70 SER Y CA 1 ATOM 2969 C C . SER D 2 74 ? -18.445 49.086 4.231 1.00 81.43 ? 70 SER Y C 1 ATOM 2970 O O . SER D 2 74 ? -17.727 48.797 3.271 1.00 80.65 ? 70 SER Y O 1 ATOM 2971 C CB . SER D 2 74 ? -17.925 51.021 5.762 1.00 80.15 ? 70 SER Y CB 1 ATOM 2972 O OG . SER D 2 74 ? -18.195 50.242 6.916 1.00 80.28 ? 70 SER Y OG 1 ATOM 2973 N N . ARG D 2 75 ? -19.010 48.183 5.034 1.00 82.94 ? 71 ARG Y N 1 ATOM 2974 C CA . ARG D 2 75 ? -18.916 46.741 4.822 1.00 84.24 ? 71 ARG Y CA 1 ATOM 2975 C C . ARG D 2 75 ? -20.293 46.158 4.552 1.00 84.56 ? 71 ARG Y C 1 ATOM 2976 O O . ARG D 2 75 ? -21.198 46.305 5.372 1.00 84.80 ? 71 ARG Y O 1 ATOM 2977 C CB . ARG D 2 75 ? -18.358 46.063 6.070 1.00 87.03 ? 71 ARG Y CB 1 ATOM 2978 C CG . ARG D 2 75 ? -16.913 46.370 6.346 1.00 88.50 ? 71 ARG Y CG 1 ATOM 2979 C CD . ARG D 2 75 ? -15.997 45.233 5.943 1.00 89.78 ? 71 ARG Y CD 1 ATOM 2980 N NE . ARG D 2 75 ? -14.611 45.694 5.876 1.00 90.11 ? 71 ARG Y NE 1 ATOM 2981 C CZ . ARG D 2 75 ? -13.540 44.904 5.869 1.00 91.05 ? 71 ARG Y CZ 1 ATOM 2982 N NH1 . ARG D 2 75 ? -13.655 43.577 5.939 1.00 91.54 ? 71 ARG Y NH1 1 ATOM 2983 N NH2 . ARG D 2 75 ? -12.334 45.456 5.802 1.00 91.03 ? 71 ARG Y NH2 1 ATOM 2984 N N . ASN D 2 76 ? -20.451 45.494 3.410 1.00 84.69 ? 72 ASN Y N 1 ATOM 2985 C CA . ASN D 2 76 ? -21.677 44.756 3.121 1.00 84.49 ? 72 ASN Y CA 1 ATOM 2986 C C . ASN D 2 76 ? -21.765 43.535 4.038 1.00 83.51 ? 72 ASN Y C 1 ATOM 2987 O O . ASN D 2 76 ? -20.737 43.019 4.477 1.00 83.22 ? 72 ASN Y O 1 ATOM 2988 C CB . ASN D 2 76 ? -21.719 44.339 1.645 1.00 86.43 ? 72 ASN Y CB 1 ATOM 2989 C CG . ASN D 2 76 ? -21.999 45.511 0.712 1.00 89.15 ? 72 ASN Y CG 1 ATOM 2990 O OD1 . ASN D 2 76 ? -22.968 46.247 0.912 1.00 88.78 ? 72 ASN Y OD1 1 ATOM 2991 N ND2 . ASN D 2 76 ? -21.154 45.681 -0.320 1.00 93.34 ? 72 ASN Y ND2 1 ATOM 2992 N N . CYS D 2 77 ? -22.984 43.094 4.348 1.00 83.22 ? 73 CYS Y N 1 ATOM 2993 C CA . CYS D 2 77 ? -23.183 41.909 5.190 1.00 81.92 ? 73 CYS Y CA 1 ATOM 2994 C C . CYS D 2 77 ? -22.970 40.633 4.382 1.00 80.54 ? 73 CYS Y C 1 ATOM 2995 O O . CYS D 2 77 ? -23.615 40.439 3.352 1.00 80.19 ? 73 CYS Y O 1 ATOM 2996 C CB . CYS D 2 77 ? -24.590 41.878 5.810 1.00 82.07 ? 73 CYS Y CB 1 ATOM 2997 S SG . CYS D 2 77 ? -24.704 40.752 7.239 1.00 84.45 ? 73 CYS Y SG 1 ATOM 2998 N N . SER D 2 78 ? -22.057 39.781 4.843 1.00 79.62 ? 74 SER Y N 1 ATOM 2999 C CA . SER D 2 78 ? -21.922 38.419 4.325 1.00 78.97 ? 74 SER Y CA 1 ATOM 3000 C C . SER D 2 78 ? -22.391 37.457 5.416 1.00 78.20 ? 74 SER Y C 1 ATOM 3001 O O . SER D 2 78 ? -22.871 37.896 6.459 1.00 78.19 ? 74 SER Y O 1 ATOM 3002 C CB . SER D 2 78 ? -20.474 38.138 3.922 1.00 78.07 ? 74 SER Y CB 1 ATOM 3003 O OG . SER D 2 78 ? -19.610 38.159 5.045 1.00 79.02 ? 74 SER Y OG 1 ATOM 3004 N N . ARG D 2 79 ? -22.267 36.155 5.185 1.00 79.30 ? 75 ARG Y N 1 ATOM 3005 C CA . ARG D 2 79 ? -22.645 35.165 6.202 1.00 79.96 ? 75 ARG Y CA 1 ATOM 3006 C C . ARG D 2 79 ? -21.713 35.177 7.410 1.00 78.76 ? 75 ARG Y C 1 ATOM 3007 O O . ARG D 2 79 ? -22.141 34.869 8.519 1.00 80.42 ? 75 ARG Y O 1 ATOM 3008 C CB . ARG D 2 79 ? -22.682 33.756 5.613 1.00 80.54 ? 75 ARG Y CB 1 ATOM 3009 C CG . ARG D 2 79 ? -23.770 33.546 4.571 1.00 82.55 ? 75 ARG Y CG 1 ATOM 3010 C CD . ARG D 2 79 ? -23.592 32.220 3.836 1.00 85.08 ? 75 ARG Y CD 1 ATOM 3011 N NE . ARG D 2 79 ? -23.910 32.335 2.410 1.00 87.29 ? 75 ARG Y NE 1 ATOM 3012 C CZ . ARG D 2 79 ? -23.701 31.377 1.507 1.00 88.18 ? 75 ARG Y CZ 1 ATOM 3013 N NH1 . ARG D 2 79 ? -23.169 30.208 1.863 1.00 89.21 ? 75 ARG Y NH1 1 ATOM 3014 N NH2 . ARG D 2 79 ? -24.025 31.593 0.235 1.00 87.99 ? 75 ARG Y NH2 1 ATOM 3015 N N . THR D 2 80 ? -20.448 35.529 7.197 1.00 77.83 ? 76 THR Y N 1 ATOM 3016 C CA . THR D 2 80 ? -19.444 35.490 8.263 1.00 77.83 ? 76 THR Y CA 1 ATOM 3017 C C . THR D 2 80 ? -19.152 36.852 8.903 1.00 78.92 ? 76 THR Y C 1 ATOM 3018 O O . THR D 2 80 ? -18.350 36.924 9.834 1.00 80.16 ? 76 THR Y O 1 ATOM 3019 C CB . THR D 2 80 ? -18.111 34.892 7.745 1.00 75.67 ? 76 THR Y CB 1 ATOM 3020 O OG1 . THR D 2 80 ? -17.587 35.702 6.687 1.00 74.46 ? 76 THR Y OG1 1 ATOM 3021 C CG2 . THR D 2 80 ? -18.329 33.489 7.234 1.00 74.21 ? 76 THR Y CG2 1 ATOM 3022 N N . GLU D 2 81 ? -19.794 37.918 8.415 1.00 78.63 ? 77 GLU Y N 1 ATOM 3023 C CA . GLU D 2 81 ? -19.517 39.286 8.875 1.00 78.26 ? 77 GLU Y CA 1 ATOM 3024 C C . GLU D 2 81 ? -20.775 40.148 8.918 1.00 78.31 ? 77 GLU Y C 1 ATOM 3025 O O . GLU D 2 81 ? -21.556 40.168 7.965 1.00 79.37 ? 77 GLU Y O 1 ATOM 3026 C CB . GLU D 2 81 ? -18.518 39.968 7.938 1.00 80.01 ? 77 GLU Y CB 1 ATOM 3027 C CG . GLU D 2 81 ? -17.074 39.520 8.097 1.00 81.71 ? 77 GLU Y CG 1 ATOM 3028 C CD . GLU D 2 81 ? -16.211 39.848 6.885 1.00 81.57 ? 77 GLU Y CD 1 ATOM 3029 O OE1 . GLU D 2 81 ? -16.617 40.696 6.058 1.00 81.27 ? 77 GLU Y OE1 1 ATOM 3030 O OE2 . GLU D 2 81 ? -15.121 39.249 6.762 1.00 83.90 ? 77 GLU Y OE2 1 ATOM 3031 N N . ASN D 2 82 ? -20.950 40.886 10.009 1.00 76.26 ? 78 ASN Y N 1 ATOM 3032 C CA . ASN D 2 82 ? -22.021 41.866 10.094 1.00 75.83 ? 78 ASN Y CA 1 ATOM 3033 C C . ASN D 2 82 ? -21.721 43.044 9.168 1.00 75.74 ? 78 ASN Y C 1 ATOM 3034 O O . ASN D 2 82 ? -20.561 43.320 8.848 1.00 73.61 ? 78 ASN Y O 1 ATOM 3035 C CB . ASN D 2 82 ? -22.172 42.370 11.535 1.00 76.34 ? 78 ASN Y CB 1 ATOM 3036 C CG . ASN D 2 82 ? -23.552 42.976 11.825 1.00 74.97 ? 78 ASN Y CG 1 ATOM 3037 O OD1 . ASN D 2 82 ? -24.432 43.043 10.962 1.00 72.61 ? 78 ASN Y OD1 1 ATOM 3038 N ND2 . ASN D 2 82 ? -23.735 43.417 13.062 1.00 74.19 ? 78 ASN Y ND2 1 ATOM 3039 N N . ALA D 2 83 ? -22.777 43.729 8.738 1.00 76.94 ? 79 ALA Y N 1 ATOM 3040 C CA . ALA D 2 83 ? -22.636 44.968 7.987 1.00 75.75 ? 79 ALA Y CA 1 ATOM 3041 C C . ALA D 2 83 ? -22.221 46.065 8.950 1.00 75.60 ? 79 ALA Y C 1 ATOM 3042 O O . ALA D 2 83 ? -22.740 46.137 10.065 1.00 76.58 ? 79 ALA Y O 1 ATOM 3043 C CB . ALA D 2 83 ? -23.940 45.335 7.307 1.00 75.41 ? 79 ALA Y CB 1 ATOM 3044 N N . VAL D 2 84 ? -21.285 46.909 8.520 1.00 75.04 ? 80 VAL Y N 1 ATOM 3045 C CA . VAL D 2 84 ? -20.803 48.019 9.338 1.00 75.10 ? 80 VAL Y CA 1 ATOM 3046 C C . VAL D 2 84 ? -21.191 49.327 8.670 1.00 74.57 ? 80 VAL Y C 1 ATOM 3047 O O . VAL D 2 84 ? -20.774 49.594 7.542 1.00 75.28 ? 80 VAL Y O 1 ATOM 3048 C CB . VAL D 2 84 ? -19.269 47.974 9.516 1.00 75.96 ? 80 VAL Y CB 1 ATOM 3049 C CG1 . VAL D 2 84 ? -18.784 49.172 10.350 1.00 75.99 ? 80 VAL Y CG1 1 ATOM 3050 C CG2 . VAL D 2 84 ? -18.848 46.659 10.159 1.00 75.71 ? 80 VAL Y CG2 1 ATOM 3051 N N . CYS D 2 85 ? -21.985 50.135 9.371 1.00 74.31 ? 81 CYS Y N 1 ATOM 3052 C CA . CYS D 2 85 ? -22.473 51.399 8.831 1.00 73.62 ? 81 CYS Y CA 1 ATOM 3053 C C . CYS D 2 85 ? -21.470 52.527 9.064 1.00 74.53 ? 81 CYS Y C 1 ATOM 3054 O O . CYS D 2 85 ? -20.875 52.628 10.140 1.00 75.83 ? 81 CYS Y O 1 ATOM 3055 C CB . CYS D 2 85 ? -23.823 51.771 9.456 1.00 73.54 ? 81 CYS Y CB 1 ATOM 3056 S SG . CYS D 2 85 ? -25.221 50.674 9.043 1.00 74.32 ? 81 CYS Y SG 1 ATOM 3057 N N . GLY D 2 86 ? -21.282 53.352 8.034 1.00 74.13 ? 82 GLY Y N 1 ATOM 3058 C CA . GLY D 2 86 ? -20.537 54.611 8.130 1.00 72.95 ? 82 GLY Y CA 1 ATOM 3059 C C . GLY D 2 86 ? -21.286 55.706 7.385 1.00 72.80 ? 82 GLY Y C 1 ATOM 3060 O O . GLY D 2 86 ? -22.356 55.459 6.825 1.00 71.79 ? 82 GLY Y O 1 ATOM 3061 N N . CYS D 2 87 ? -20.731 56.916 7.368 1.00 73.53 ? 83 CYS Y N 1 ATOM 3062 C CA . CYS D 2 87 ? -21.405 58.051 6.735 1.00 74.34 ? 83 CYS Y CA 1 ATOM 3063 C C . CYS D 2 87 ? -21.215 58.041 5.221 1.00 74.72 ? 83 CYS Y C 1 ATOM 3064 O O . CYS D 2 87 ? -20.175 57.622 4.720 1.00 75.71 ? 83 CYS Y O 1 ATOM 3065 C CB . CYS D 2 87 ? -20.896 59.380 7.300 1.00 74.43 ? 83 CYS Y CB 1 ATOM 3066 S SG . CYS D 2 87 ? -21.237 59.675 9.052 1.00 75.80 ? 83 CYS Y SG 1 ATOM 3067 N N . SER D 2 88 ? -22.229 58.522 4.505 1.00 75.72 ? 84 SER Y N 1 ATOM 3068 C CA . SER D 2 88 ? -22.169 58.676 3.051 1.00 77.00 ? 84 SER Y CA 1 ATOM 3069 C C . SER D 2 88 ? -21.247 59.854 2.688 1.00 78.12 ? 84 SER Y C 1 ATOM 3070 O O . SER D 2 88 ? -20.867 60.635 3.565 1.00 78.16 ? 84 SER Y O 1 ATOM 3071 C CB . SER D 2 88 ? -23.579 58.925 2.492 1.00 77.97 ? 84 SER Y CB 1 ATOM 3072 O OG . SER D 2 88 ? -24.574 58.264 3.261 1.00 77.85 ? 84 SER Y OG 1 ATOM 3073 N N . PRO D 2 89 ? -20.876 59.984 1.399 1.00 78.93 ? 85 PRO Y N 1 ATOM 3074 C CA . PRO D 2 89 ? -20.040 61.116 0.981 1.00 78.05 ? 85 PRO Y CA 1 ATOM 3075 C C . PRO D 2 89 ? -20.552 62.461 1.494 1.00 78.34 ? 85 PRO Y C 1 ATOM 3076 O O . PRO D 2 89 ? -21.724 62.785 1.305 1.00 80.10 ? 85 PRO Y O 1 ATOM 3077 C CB . PRO D 2 89 ? -20.115 61.059 -0.549 1.00 78.09 ? 85 PRO Y CB 1 ATOM 3078 C CG . PRO D 2 89 ? -20.328 59.621 -0.854 1.00 78.38 ? 85 PRO Y CG 1 ATOM 3079 C CD . PRO D 2 89 ? -21.181 59.084 0.269 1.00 79.10 ? 85 PRO Y CD 1 ATOM 3080 N N . GLY D 2 90 ? -19.681 63.217 2.158 1.00 77.71 ? 86 GLY Y N 1 ATOM 3081 C CA . GLY D 2 90 ? -20.019 64.555 2.644 1.00 76.62 ? 86 GLY Y CA 1 ATOM 3082 C C . GLY D 2 90 ? -20.990 64.590 3.814 1.00 76.26 ? 86 GLY Y C 1 ATOM 3083 O O . GLY D 2 90 ? -21.810 65.506 3.914 1.00 76.96 ? 86 GLY Y O 1 ATOM 3084 N N . HIS D 2 91 ? -20.894 63.600 4.700 1.00 74.43 ? 87 HIS Y N 1 ATOM 3085 C CA . HIS D 2 91 ? -21.733 63.536 5.897 1.00 73.50 ? 87 HIS Y CA 1 ATOM 3086 C C . HIS D 2 91 ? -20.877 63.220 7.126 1.00 72.92 ? 87 HIS Y C 1 ATOM 3087 O O . HIS D 2 91 ? -19.892 62.492 7.021 1.00 74.00 ? 87 HIS Y O 1 ATOM 3088 C CB . HIS D 2 91 ? -22.814 62.464 5.735 1.00 73.44 ? 87 HIS Y CB 1 ATOM 3089 C CG . HIS D 2 91 ? -23.960 62.873 4.862 1.00 73.77 ? 87 HIS Y CG 1 ATOM 3090 N ND1 . HIS D 2 91 ? -23.855 62.980 3.493 1.00 73.73 ? 87 HIS Y ND1 1 ATOM 3091 C CD2 . HIS D 2 91 ? -25.247 63.175 5.165 1.00 74.16 ? 87 HIS Y CD2 1 ATOM 3092 C CE1 . HIS D 2 91 ? -25.022 63.345 2.990 1.00 74.02 ? 87 HIS Y CE1 1 ATOM 3093 N NE2 . HIS D 2 91 ? -25.884 63.470 3.984 1.00 73.99 ? 87 HIS Y NE2 1 ATOM 3094 N N . PHE D 2 92 ? -21.259 63.760 8.283 1.00 72.26 ? 88 PHE Y N 1 ATOM 3095 C CA . PHE D 2 92 ? -20.541 63.519 9.542 1.00 71.59 ? 88 PHE Y CA 1 ATOM 3096 C C . PHE D 2 92 ? -21.483 62.962 10.610 1.00 71.75 ? 88 PHE Y C 1 ATOM 3097 O O . PHE D 2 92 ? -22.631 63.392 10.712 1.00 72.00 ? 88 PHE Y O 1 ATOM 3098 C CB . PHE D 2 92 ? -19.849 64.800 10.040 1.00 70.50 ? 88 PHE Y CB 1 ATOM 3099 C CG . PHE D 2 92 ? -20.799 65.893 10.486 1.00 70.31 ? 88 PHE Y CG 1 ATOM 3100 C CD1 . PHE D 2 92 ? -21.364 66.765 9.563 1.00 70.27 ? 88 PHE Y CD1 1 ATOM 3101 C CD2 . PHE D 2 92 ? -21.104 66.062 11.833 1.00 69.99 ? 88 PHE Y CD2 1 ATOM 3102 C CE1 . PHE D 2 92 ? -22.233 67.776 9.972 1.00 70.32 ? 88 PHE Y CE1 1 ATOM 3103 C CE2 . PHE D 2 92 ? -21.967 67.070 12.251 1.00 69.92 ? 88 PHE Y CE2 1 ATOM 3104 C CZ . PHE D 2 92 ? -22.535 67.928 11.319 1.00 69.97 ? 88 PHE Y CZ 1 ATOM 3105 N N . CYS D 2 93 ? -20.982 62.018 11.406 1.00 72.03 ? 89 CYS Y N 1 ATOM 3106 C CA . CYS D 2 93 ? -21.792 61.304 12.397 1.00 71.13 ? 89 CYS Y CA 1 ATOM 3107 C C . CYS D 2 93 ? -22.361 62.226 13.460 1.00 71.20 ? 89 CYS Y C 1 ATOM 3108 O O . CYS D 2 93 ? -21.703 63.177 13.879 1.00 72.07 ? 89 CYS Y O 1 ATOM 3109 C CB . CYS D 2 93 ? -20.961 60.230 13.097 1.00 72.74 ? 89 CYS Y CB 1 ATOM 3110 S SG . CYS D 2 93 ? -21.949 59.084 14.084 1.00 74.76 ? 89 CYS Y SG 1 ATOM 3111 N N . ILE D 2 94 ? -23.584 61.933 13.892 1.00 70.91 ? 90 ILE Y N 1 ATOM 3112 C CA . ILE D 2 94 ? -24.238 62.694 14.959 1.00 71.23 ? 90 ILE Y CA 1 ATOM 3113 C C . ILE D 2 94 ? -24.899 61.824 16.035 1.00 71.93 ? 90 ILE Y C 1 ATOM 3114 O O . ILE D 2 94 ? -25.448 62.354 17.002 1.00 72.74 ? 90 ILE Y O 1 ATOM 3115 C CB . ILE D 2 94 ? -25.292 63.665 14.379 1.00 70.62 ? 90 ILE Y CB 1 ATOM 3116 C CG1 . ILE D 2 94 ? -26.260 62.930 13.441 1.00 70.25 ? 90 ILE Y CG1 1 ATOM 3117 C CG2 . ILE D 2 94 ? -24.605 64.808 13.640 1.00 69.64 ? 90 ILE Y CG2 1 ATOM 3118 C CD1 . ILE D 2 94 ? -27.553 63.699 13.171 1.00 70.03 ? 90 ILE Y CD1 1 ATOM 3119 N N . VAL D 2 95 ? -24.844 60.502 15.869 1.00 72.76 ? 91 VAL Y N 1 ATOM 3120 C CA . VAL D 2 95 ? -25.441 59.564 16.814 1.00 74.89 ? 91 VAL Y CA 1 ATOM 3121 C C . VAL D 2 95 ? -24.550 58.336 16.973 1.00 77.53 ? 91 VAL Y C 1 ATOM 3122 O O . VAL D 2 95 ? -24.415 57.539 16.041 1.00 78.01 ? 91 VAL Y O 1 ATOM 3123 C CB . VAL D 2 95 ? -26.837 59.096 16.338 1.00 75.19 ? 91 VAL Y CB 1 ATOM 3124 C CG1 . VAL D 2 95 ? -27.426 58.072 17.312 1.00 75.25 ? 91 VAL Y CG1 1 ATOM 3125 C CG2 . VAL D 2 95 ? -27.780 60.281 16.185 1.00 75.27 ? 91 VAL Y CG2 1 ATOM 3126 N N . GLN D 2 96 ? -23.952 58.187 18.155 1.00 80.46 ? 92 GLN Y N 1 ATOM 3127 C CA . GLN D 2 96 ? -23.135 57.011 18.478 1.00 80.64 ? 92 GLN Y CA 1 ATOM 3128 C C . GLN D 2 96 ? -24.009 55.924 19.096 1.00 80.75 ? 92 GLN Y C 1 ATOM 3129 O O . GLN D 2 96 ? -24.128 54.825 18.556 1.00 81.21 ? 92 GLN Y O 1 ATOM 3130 C CB . GLN D 2 96 ? -22.011 57.378 19.454 1.00 83.26 ? 92 GLN Y CB 1 ATOM 3131 C CG . GLN D 2 96 ? -21.090 58.506 18.983 1.00 84.37 ? 92 GLN Y CG 1 ATOM 3132 C CD . GLN D 2 96 ? -20.119 58.086 17.883 1.00 85.99 ? 92 GLN Y CD 1 ATOM 3133 O OE1 . GLN D 2 96 ? -20.100 56.931 17.444 1.00 87.71 ? 92 GLN Y OE1 1 ATOM 3134 N NE2 . GLN D 2 96 ? -19.298 59.033 17.436 1.00 85.10 ? 92 GLN Y NE2 1 ATOM 3135 N N . ASP D 2 99 ? -22.045 52.376 19.878 1.00 91.02 ? 95 ASP Y N 1 ATOM 3136 C CA . ASP D 2 99 ? -20.931 51.564 19.393 1.00 92.46 ? 95 ASP Y CA 1 ATOM 3137 C C . ASP D 2 99 ? -20.342 52.156 18.114 1.00 92.59 ? 95 ASP Y C 1 ATOM 3138 O O . ASP D 2 99 ? -19.276 52.778 18.143 1.00 91.84 ? 95 ASP Y O 1 ATOM 3139 C CB . ASP D 2 99 ? -21.385 50.118 19.141 1.00 94.19 ? 95 ASP Y CB 1 ATOM 3140 C CG . ASP D 2 99 ? -21.367 49.265 20.397 1.00 95.37 ? 95 ASP Y CG 1 ATOM 3141 O OD1 . ASP D 2 99 ? -21.812 49.747 21.460 1.00 95.29 ? 95 ASP Y OD1 1 ATOM 3142 O OD2 . ASP D 2 99 ? -20.916 48.101 20.313 1.00 96.75 ? 95 ASP Y OD2 1 ATOM 3143 N N . HIS D 2 100 ? -21.040 51.946 16.999 1.00 91.68 ? 96 HIS Y N 1 ATOM 3144 C CA . HIS D 2 100 ? -20.682 52.550 15.723 1.00 89.55 ? 96 HIS Y CA 1 ATOM 3145 C C . HIS D 2 100 ? -21.701 53.656 15.467 1.00 86.50 ? 96 HIS Y C 1 ATOM 3146 O O . HIS D 2 100 ? -22.503 53.972 16.347 1.00 86.58 ? 96 HIS Y O 1 ATOM 3147 C CB . HIS D 2 100 ? -20.689 51.502 14.603 1.00 93.75 ? 96 HIS Y CB 1 ATOM 3148 C CG . HIS D 2 100 ? -19.446 51.504 13.765 1.00 96.45 ? 96 HIS Y CG 1 ATOM 3149 N ND1 . HIS D 2 100 ? -18.504 50.498 13.833 1.00 97.00 ? 96 HIS Y ND1 1 ATOM 3150 C CD2 . HIS D 2 100 ? -18.982 52.394 12.851 1.00 97.49 ? 96 HIS Y CD2 1 ATOM 3151 C CE1 . HIS D 2 100 ? -17.518 50.763 12.993 1.00 97.02 ? 96 HIS Y CE1 1 ATOM 3152 N NE2 . HIS D 2 100 ? -17.784 51.907 12.384 1.00 97.64 ? 96 HIS Y NE2 1 ATOM 3153 N N . CYS D 2 101 ? -21.673 54.243 14.273 1.00 82.13 ? 97 CYS Y N 1 ATOM 3154 C CA . CYS D 2 101 ? -22.518 55.394 13.961 1.00 80.21 ? 97 CYS Y CA 1 ATOM 3155 C C . CYS D 2 101 ? -23.896 54.984 13.432 1.00 77.51 ? 97 CYS Y C 1 ATOM 3156 O O . CYS D 2 101 ? -24.003 54.084 12.599 1.00 75.30 ? 97 CYS Y O 1 ATOM 3157 C CB . CYS D 2 101 ? -21.821 56.294 12.947 1.00 77.95 ? 97 CYS Y CB 1 ATOM 3158 S SG . CYS D 2 101 ? -22.700 57.818 12.680 1.00 78.43 ? 97 CYS Y SG 1 ATOM 3159 N N . ALA D 2 102 ? -24.940 55.659 13.920 1.00 76.07 ? 98 ALA Y N 1 ATOM 3160 C CA . ALA D 2 102 ? -26.326 55.349 13.548 1.00 75.11 ? 98 ALA Y CA 1 ATOM 3161 C C . ALA D 2 102 ? -27.008 56.442 12.728 1.00 73.89 ? 98 ALA Y C 1 ATOM 3162 O O . ALA D 2 102 ? -28.090 56.212 12.189 1.00 74.04 ? 98 ALA Y O 1 ATOM 3163 C CB . ALA D 2 102 ? -27.144 55.059 14.790 1.00 74.51 ? 98 ALA Y CB 1 ATOM 3164 N N . ALA D 2 103 ? -26.396 57.623 12.641 1.00 73.03 ? 99 ALA Y N 1 ATOM 3165 C CA . ALA D 2 103 ? -26.939 58.716 11.829 1.00 72.73 ? 99 ALA Y CA 1 ATOM 3166 C C . ALA D 2 103 ? -25.889 59.791 11.535 1.00 72.61 ? 99 ALA Y C 1 ATOM 3167 O O . ALA D 2 103 ? -25.056 60.110 12.390 1.00 72.19 ? 99 ALA Y O 1 ATOM 3168 C CB . ALA D 2 103 ? -28.140 59.339 12.521 1.00 72.21 ? 99 ALA Y CB 1 ATOM 3169 N N . CYS D 2 104 ? -25.942 60.344 10.323 1.00 72.06 ? 100 CYS Y N 1 ATOM 3170 C CA . CYS D 2 104 ? -25.066 61.447 9.927 1.00 71.88 ? 100 CYS Y CA 1 ATOM 3171 C C . CYS D 2 104 ? -25.884 62.612 9.355 1.00 70.59 ? 100 CYS Y C 1 ATOM 3172 O O . CYS D 2 104 ? -27.048 62.446 8.989 1.00 70.08 ? 100 CYS Y O 1 ATOM 3173 C CB . CYS D 2 104 ? -24.030 60.973 8.897 1.00 72.64 ? 100 CYS Y CB 1 ATOM 3174 S SG . CYS D 2 104 ? -23.248 59.376 9.270 1.00 76.01 ? 100 CYS Y SG 1 ATOM 3175 N N . ARG D 2 105 ? -25.264 63.790 9.297 1.00 69.62 ? 101 ARG Y N 1 ATOM 3176 C CA . ARG D 2 105 ? -25.859 64.968 8.667 1.00 70.64 ? 101 ARG Y CA 1 ATOM 3177 C C . ARG D 2 105 ? -24.944 65.471 7.556 1.00 71.90 ? 101 ARG Y C 1 ATOM 3178 O O . ARG D 2 105 ? -23.723 65.323 7.634 1.00 71.63 ? 101 ARG Y O 1 ATOM 3179 C CB . ARG D 2 105 ? -26.070 66.081 9.702 1.00 69.95 ? 101 ARG Y CB 1 ATOM 3180 C CG . ARG D 2 105 ? -26.843 67.301 9.182 1.00 69.28 ? 101 ARG Y CG 1 ATOM 3181 C CD . ARG D 2 105 ? -26.873 68.460 10.186 1.00 68.17 ? 101 ARG Y CD 1 ATOM 3182 N NE . ARG D 2 105 ? -27.076 68.005 11.561 1.00 67.80 ? 101 ARG Y NE 1 ATOM 3183 C CZ . ARG D 2 105 ? -28.206 67.475 12.029 1.00 66.58 ? 101 ARG Y CZ 1 ATOM 3184 N NH1 . ARG D 2 105 ? -29.266 67.321 11.237 1.00 64.95 ? 101 ARG Y NH1 1 ATOM 3185 N NH2 . ARG D 2 105 ? -28.276 67.089 13.303 1.00 65.94 ? 101 ARG Y NH2 1 ATOM 3186 N N . ALA D 2 106 ? -25.540 66.059 6.523 1.00 73.11 ? 102 ALA Y N 1 ATOM 3187 C CA . ALA D 2 106 ? -24.778 66.712 5.463 1.00 74.05 ? 102 ALA Y CA 1 ATOM 3188 C C . ALA D 2 106 ? -24.227 68.047 5.974 1.00 75.58 ? 102 ALA Y C 1 ATOM 3189 O O . ALA D 2 106 ? -24.823 68.672 6.853 1.00 76.67 ? 102 ALA Y O 1 ATOM 3190 C CB . ALA D 2 106 ? -25.661 66.934 4.245 1.00 74.39 ? 102 ALA Y CB 1 ATOM 3191 N N . TYR D 2 107 ? -23.092 68.478 5.425 1.00 76.10 ? 103 TYR Y N 1 ATOM 3192 C CA . TYR D 2 107 ? -22.470 69.745 5.828 1.00 75.58 ? 103 TYR Y CA 1 ATOM 3193 C C . TYR D 2 107 ? -23.280 70.942 5.323 1.00 75.08 ? 103 TYR Y C 1 ATOM 3194 O O . TYR D 2 107 ? -22.985 71.518 4.275 1.00 75.01 ? 103 TYR Y O 1 ATOM 3195 C CB . TYR D 2 107 ? -21.025 69.833 5.321 1.00 76.39 ? 103 TYR Y CB 1 ATOM 3196 C CG . TYR D 2 107 ? -20.045 68.895 6.009 1.00 77.00 ? 103 TYR Y CG 1 ATOM 3197 C CD1 . TYR D 2 107 ? -19.456 69.238 7.225 1.00 77.07 ? 103 TYR Y CD1 1 ATOM 3198 C CD2 . TYR D 2 107 ? -19.686 67.679 5.430 1.00 76.36 ? 103 TYR Y CD2 1 ATOM 3199 C CE1 . TYR D 2 107 ? -18.547 68.390 7.853 1.00 76.24 ? 103 TYR Y CE1 1 ATOM 3200 C CE2 . TYR D 2 107 ? -18.779 66.828 6.050 1.00 76.57 ? 103 TYR Y CE2 1 ATOM 3201 C CZ . TYR D 2 107 ? -18.212 67.190 7.260 1.00 76.33 ? 103 TYR Y CZ 1 ATOM 3202 O OH . TYR D 2 107 ? -17.313 66.348 7.878 1.00 76.43 ? 103 TYR Y OH 1 HETATM 3203 NI NI . NI E 3 . ? 0.073 15.549 37.087 0.50 62.28 ? 1 NI A NI 1 HETATM 3204 C C1 . NAG F 4 . ? -19.140 -38.440 27.338 1.00 98.62 ? 201 NAG B C1 1 HETATM 3205 C C2 . NAG F 4 . ? -19.299 -38.885 28.783 1.00 100.98 ? 201 NAG B C2 1 HETATM 3206 C C3 . NAG F 4 . ? -19.925 -40.277 28.783 1.00 102.30 ? 201 NAG B C3 1 HETATM 3207 C C4 . NAG F 4 . ? -21.229 -40.267 27.986 1.00 102.82 ? 201 NAG B C4 1 HETATM 3208 C C5 . NAG F 4 . ? -20.998 -39.690 26.589 1.00 100.46 ? 201 NAG B C5 1 HETATM 3209 C C6 . NAG F 4 . ? -22.276 -39.535 25.764 1.00 99.82 ? 201 NAG B C6 1 HETATM 3210 C C7 . NAG F 4 . ? -17.577 -37.832 30.169 1.00 103.55 ? 201 NAG B C7 1 HETATM 3211 C C8 . NAG F 4 . ? -16.692 -38.131 31.344 1.00 104.36 ? 201 NAG B C8 1 HETATM 3212 N N2 . NAG F 4 . ? -18.008 -38.878 29.454 1.00 102.01 ? 201 NAG B N2 1 HETATM 3213 O O3 . NAG F 4 . ? -20.172 -40.706 30.104 1.00 103.38 ? 201 NAG B O3 1 HETATM 3214 O O4 . NAG F 4 . ? -21.752 -41.581 27.901 1.00 106.09 ? 201 NAG B O4 1 HETATM 3215 O O5 . NAG F 4 . ? -20.412 -38.416 26.727 1.00 99.33 ? 201 NAG B O5 1 HETATM 3216 O O6 . NAG F 4 . ? -22.996 -38.390 26.172 1.00 98.49 ? 201 NAG B O6 1 HETATM 3217 O O7 . NAG F 4 . ? -17.864 -36.662 29.909 1.00 103.92 ? 201 NAG B O7 1 HETATM 3218 C C1 . NAG G 4 . ? -23.112 -41.628 28.378 1.00 108.13 ? 202 NAG B C1 1 HETATM 3219 C C2 . NAG G 4 . ? -23.837 -42.855 27.844 1.00 108.85 ? 202 NAG B C2 1 HETATM 3220 C C3 . NAG G 4 . ? -25.306 -42.791 28.262 1.00 109.67 ? 202 NAG B C3 1 HETATM 3221 C C4 . NAG G 4 . ? -25.505 -42.418 29.736 1.00 109.79 ? 202 NAG B C4 1 HETATM 3222 C C5 . NAG G 4 . ? -24.479 -41.419 30.277 1.00 109.82 ? 202 NAG B C5 1 HETATM 3223 C C6 . NAG G 4 . ? -24.436 -41.454 31.801 1.00 110.12 ? 202 NAG B C6 1 HETATM 3224 C C7 . NAG G 4 . ? -22.823 -43.680 25.767 1.00 109.17 ? 202 NAG B C7 1 HETATM 3225 C C8 . NAG G 4 . ? -23.095 -44.020 24.325 1.00 109.20 ? 202 NAG B C8 1 HETATM 3226 N N2 . NAG G 4 . ? -23.734 -42.930 26.394 1.00 109.00 ? 202 NAG B N2 1 HETATM 3227 O O3 . NAG G 4 . ? -25.916 -44.042 28.021 1.00 109.81 ? 202 NAG B O3 1 HETATM 3228 O O4 . NAG G 4 . ? -26.793 -41.857 29.886 1.00 109.46 ? 202 NAG B O4 1 HETATM 3229 O O5 . NAG G 4 . ? -23.179 -41.673 29.785 1.00 109.09 ? 202 NAG B O5 1 HETATM 3230 O O6 . NAG G 4 . ? -24.040 -40.183 32.279 1.00 110.72 ? 202 NAG B O6 1 HETATM 3231 O O7 . NAG G 4 . ? -21.792 -44.089 26.307 1.00 108.96 ? 202 NAG B O7 1 HETATM 3232 C C1 . NAG H 4 . ? -21.498 46.799 -1.182 1.00 96.67 ? 201 NAG Y C1 1 HETATM 3233 C C2 . NAG H 4 . ? -20.269 47.359 -1.901 1.00 98.22 ? 201 NAG Y C2 1 HETATM 3234 C C3 . NAG H 4 . ? -20.667 48.548 -2.782 1.00 98.78 ? 201 NAG Y C3 1 HETATM 3235 C C4 . NAG H 4 . ? -21.787 48.143 -3.738 1.00 99.08 ? 201 NAG Y C4 1 HETATM 3236 C C5 . NAG H 4 . ? -22.939 47.504 -2.949 1.00 100.14 ? 201 NAG Y C5 1 HETATM 3237 C C6 . NAG H 4 . ? -24.086 47.032 -3.853 1.00 101.32 ? 201 NAG Y C6 1 HETATM 3238 C C7 . NAG H 4 . ? -17.962 47.666 -1.196 1.00 99.05 ? 201 NAG Y C7 1 HETATM 3239 C C8 . NAG H 4 . ? -17.195 48.961 -1.235 1.00 99.46 ? 201 NAG Y C8 1 HETATM 3240 N N2 . NAG H 4 . ? -19.263 47.754 -0.931 1.00 98.42 ? 201 NAG Y N2 1 HETATM 3241 O O3 . NAG H 4 . ? -19.567 49.046 -3.516 1.00 98.54 ? 201 NAG Y O3 1 HETATM 3242 O O4 . NAG H 4 . ? -22.225 49.281 -4.452 1.00 96.36 ? 201 NAG Y O4 1 HETATM 3243 O O5 . NAG H 4 . ? -22.457 46.425 -2.156 1.00 97.80 ? 201 NAG Y O5 1 HETATM 3244 O O6 . NAG H 4 . ? -24.132 45.616 -3.862 1.00 102.15 ? 201 NAG Y O6 1 HETATM 3245 O O7 . NAG H 4 . ? -17.398 46.591 -1.407 1.00 97.79 ? 201 NAG Y O7 1 HETATM 3246 C C1 . FUL I 5 . ? -23.881 45.063 -5.172 1.00 103.37 ? 202 FUL Y C1 1 HETATM 3247 C C2 . FUL I 5 . ? -23.666 43.556 -5.022 1.00 104.21 ? 202 FUL Y C2 1 HETATM 3248 O O2 . FUL I 5 . ? -24.839 42.956 -4.517 1.00 104.35 ? 202 FUL Y O2 1 HETATM 3249 C C3 . FUL I 5 . ? -23.299 42.889 -6.348 1.00 105.02 ? 202 FUL Y C3 1 HETATM 3250 O O3 . FUL I 5 . ? -22.859 41.566 -6.107 1.00 104.77 ? 202 FUL Y O3 1 HETATM 3251 C C4 . FUL I 5 . ? -22.207 43.669 -7.081 1.00 104.92 ? 202 FUL Y C4 1 HETATM 3252 O O4 . FUL I 5 . ? -20.965 43.476 -6.437 1.00 104.99 ? 202 FUL Y O4 1 HETATM 3253 C C5 . FUL I 5 . ? -22.561 45.158 -7.133 1.00 104.66 ? 202 FUL Y C5 1 HETATM 3254 C C6 . FUL I 5 . ? -21.481 45.987 -7.830 1.00 104.48 ? 202 FUL Y C6 1 HETATM 3255 O O5 . FUL I 5 . ? -22.758 45.637 -5.816 1.00 103.93 ? 202 FUL Y O5 1 HETATM 3256 O O . HOH J 6 . ? -14.180 3.786 23.491 1.00 27.74 ? 2 HOH A O 1 HETATM 3257 O O . HOH J 6 . ? -9.711 8.901 16.346 1.00 31.41 ? 3 HOH A O 1 HETATM 3258 O O . HOH K 6 . ? -18.641 -30.644 19.256 1.00 60.07 ? 203 HOH B O 1 HETATM 3259 O O . HOH L 6 . ? -11.791 15.344 0.099 1.00 46.91 ? 4 HOH X 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 TRP 1 26 ? ? ? A . n A 1 2 ASN 2 27 ? ? ? A . n A 1 3 ILE 3 28 ? ? ? A . n A 1 4 HIS 4 29 ? ? ? A . n A 1 5 GLY 5 30 ? ? ? A . n A 1 6 LYS 6 31 ? ? ? A . n A 1 7 GLU 7 32 ? ? ? A . n A 1 8 SER 8 33 ? ? ? A . n A 1 9 CYS 9 34 34 CYS CYS A . n A 1 10 ASP 10 35 35 ASP ASP A . n A 1 11 VAL 11 36 36 VAL VAL A . n A 1 12 GLN 12 37 37 GLN GLN A . n A 1 13 LEU 13 38 38 LEU LEU A . n A 1 14 TYR 14 39 39 TYR TYR A . n A 1 15 ILE 15 40 40 ILE ILE A . n A 1 16 LYS 16 41 41 LYS LYS A . n A 1 17 ARG 17 42 42 ARG ARG A . n A 1 18 GLN 18 43 43 GLN GLN A . n A 1 19 SER 19 44 44 SER SER A . n A 1 20 GLU 20 45 45 GLU GLU A . n A 1 21 HIS 21 46 46 HIS HIS A . n A 1 22 SER 22 47 47 SER SER A . n A 1 23 ILE 23 48 48 ILE ILE A . n A 1 24 LEU 24 49 49 LEU LEU A . n A 1 25 ALA 25 50 50 ALA ALA A . n A 1 26 GLY 26 51 51 GLY GLY A . n A 1 27 ASP 27 52 52 ASP ASP A . n A 1 28 PRO 28 53 53 PRO PRO A . n A 1 29 PHE 29 54 54 PHE PHE A . n A 1 30 GLU 30 55 55 GLU GLU A . n A 1 31 LEU 31 56 56 LEU LEU A . n A 1 32 GLU 32 57 57 GLU GLU A . n A 1 33 CYS 33 58 58 CYS CYS A . n A 1 34 PRO 34 59 59 PRO PRO A . n A 1 35 VAL 35 60 60 VAL VAL A . n A 1 36 LYS 36 61 61 LYS LYS A . n A 1 37 TYR 37 62 62 TYR TYR A . n A 1 38 CYS 38 63 63 CYS CYS A . n A 1 39 ALA 39 64 64 ALA ALA A . n A 1 40 ASN 40 65 65 ASN ASN A . n A 1 41 ARG 41 66 66 ARG ARG A . n A 1 42 PRO 42 67 67 PRO PRO A . n A 1 43 HIS 43 68 68 HIS HIS A . n A 1 44 VAL 44 69 69 VAL VAL A . n A 1 45 THR 45 70 70 THR THR A . n A 1 46 TRP 46 71 71 TRP TRP A . n A 1 47 CYS 47 72 72 CYS CYS A . n A 1 48 LYS 48 73 73 LYS LYS A . n A 1 49 LEU 49 74 74 LEU LEU A . n A 1 50 ASN 50 75 75 ASN ASN A . n A 1 51 GLY 51 76 76 GLY GLY A . n A 1 52 THR 52 77 77 THR ALA A . n A 1 53 THR 53 78 78 THR THR A . n A 1 54 CYS 54 79 79 CYS CYS A . n A 1 55 VAL 55 80 80 VAL VAL A . n A 1 56 LYS 56 81 81 LYS LYS A . n A 1 57 LEU 57 82 82 LEU LEU A . n A 1 58 GLU 58 83 83 GLU GLU A . n A 1 59 ASP 59 84 84 ASP ALA A . n A 1 60 ARG 60 85 85 ARG ARG A . n A 1 61 GLN 61 86 86 GLN GLN A . n A 1 62 THR 62 87 87 THR THR A . n A 1 63 SER 63 88 88 SER SER A . n A 1 64 TRP 64 89 89 TRP TRP A . n A 1 65 LYS 65 90 90 LYS LYS A . n A 1 66 GLU 66 91 91 GLU GLU A . n A 1 67 GLU 67 92 92 GLU GLU A . n A 1 68 LYS 68 93 93 LYS ALA A . n A 1 69 ASN 69 94 94 ASN ASN A . n A 1 70 ILE 70 95 95 ILE ILE A . n A 1 71 SER 71 96 96 SER SER A . n A 1 72 PHE 72 97 97 PHE PHE A . n A 1 73 PHE 73 98 98 PHE PHE A . n A 1 74 ILE 74 99 99 ILE ILE A . n A 1 75 LEU 75 100 100 LEU LEU A . n A 1 76 HIS 76 101 101 HIS HIS A . n A 1 77 PHE 77 102 102 PHE PHE A . n A 1 78 GLU 78 103 103 GLU GLU A . n A 1 79 PRO 79 104 104 PRO PRO A . n A 1 80 VAL 80 105 105 VAL VAL A . n A 1 81 LEU 81 106 106 LEU LEU A . n A 1 82 PRO 82 107 107 PRO PRO A . n A 1 83 ASN 83 108 108 ASN ASN A . n A 1 84 ASP 84 109 109 ASP ASP A . n A 1 85 ASN 85 110 110 ASN ASN A . n A 1 86 GLY 86 111 111 GLY GLY A . n A 1 87 SER 87 112 112 SER SER A . n A 1 88 TYR 88 113 113 TYR TYR A . n A 1 89 ARG 89 114 114 ARG ARG A . n A 1 90 CYS 90 115 115 CYS CYS A . n A 1 91 SER 91 116 116 SER SER A . n A 1 92 ALA 92 117 117 ALA ALA A . n A 1 93 ASN 93 118 118 ASN ASN A . n A 1 94 PHE 94 119 119 PHE PHE A . n A 1 95 GLN 95 120 120 GLN GLN A . n A 1 96 SER 96 121 121 SER SER A . n A 1 97 ASN 97 122 122 ASN ASN A . n A 1 98 LEU 98 123 123 LEU LEU A . n A 1 99 ILE 99 124 124 ILE ILE A . n A 1 100 GLU 100 125 125 GLU GLU A . n A 1 101 SER 101 126 126 SER SER A . n A 1 102 HIS 102 127 127 HIS HIS A . n A 1 103 SER 103 128 128 SER SER A . n A 1 104 THR 104 129 129 THR THR A . n A 1 105 THR 105 130 130 THR THR A . n A 1 106 LEU 106 131 131 LEU LEU A . n A 1 107 TYR 107 132 132 TYR TYR A . n A 1 108 VAL 108 133 133 VAL VAL A . n A 1 109 THR 109 134 134 THR THR A . n A 1 110 ASP 110 135 135 ASP ASP A . n A 1 111 VAL 111 136 136 VAL VAL A . n A 1 112 LYS 112 137 137 LYS LYS A . n A 1 113 HIS 113 138 138 HIS HIS A . n A 1 114 HIS 114 139 139 HIS HIS A . n A 1 115 HIS 115 140 140 HIS HIS A . n A 1 116 HIS 116 141 141 HIS HIS A . n A 1 117 HIS 117 142 142 HIS HIS A . n A 1 118 HIS 118 143 143 HIS ALA A . n A 1 119 HIS 119 144 ? ? ? A . n A 1 120 HIS 120 145 ? ? ? A . n B 2 1 GLY 1 -3 ? ? ? B . n B 2 2 SER 2 -2 ? ? ? B . n B 2 3 HIS 3 -1 ? ? ? B . n B 2 4 MET 4 0 ? ? ? B . n B 2 5 LEU 5 1 ? ? ? B . n B 2 6 PRO 6 2 2 PRO PRO B . n B 2 7 SER 7 3 3 SER SER B . n B 2 8 CYS 8 4 4 CYS CYS B . n B 2 9 LYS 9 5 5 LYS LYS B . n B 2 10 GLU 10 6 6 GLU GLU B . n B 2 11 ASP 11 7 7 ASP ASP B . n B 2 12 GLU 12 8 8 GLU GLU B . n B 2 13 TYR 13 9 9 TYR TYR B . n B 2 14 PRO 14 10 10 PRO PRO B . n B 2 15 VAL 15 11 11 VAL VAL B . n B 2 16 GLY 16 12 12 GLY GLY B . n B 2 17 SER 17 13 13 SER SER B . n B 2 18 GLU 18 14 14 GLU GLU B . n B 2 19 CYS 19 15 15 CYS CYS B . n B 2 20 CYS 20 16 16 CYS CYS B . n B 2 21 PRO 21 17 17 PRO PRO B . n B 2 22 LYS 22 18 18 LYS LYS B . n B 2 23 CYS 23 19 19 CYS CYS B . n B 2 24 SER 24 20 20 SER SER B . n B 2 25 PRO 25 21 21 PRO PRO B . n B 2 26 GLY 26 22 22 GLY GLY B . n B 2 27 TYR 27 23 23 TYR TYR B . n B 2 28 ARG 28 24 24 ARG ARG B . n B 2 29 VAL 29 25 25 VAL VAL B . n B 2 30 LYS 30 26 26 LYS LYS B . n B 2 31 GLU 31 27 27 GLU GLU B . n B 2 32 ALA 32 28 28 ALA ALA B . n B 2 33 CYS 33 29 29 CYS CYS B . n B 2 34 GLY 34 30 30 GLY GLY B . n B 2 35 GLU 35 31 31 GLU GLU B . n B 2 36 LEU 36 32 32 LEU LEU B . n B 2 37 THR 37 33 33 THR THR B . n B 2 38 GLY 38 34 34 GLY GLY B . n B 2 39 THR 39 35 35 THR THR B . n B 2 40 VAL 40 36 36 VAL VAL B . n B 2 41 CYS 41 37 37 CYS CYS B . n B 2 42 GLU 42 38 38 GLU GLU B . n B 2 43 PRO 43 39 39 PRO PRO B . n B 2 44 CYS 44 40 40 CYS CYS B . n B 2 45 PRO 45 41 41 PRO PRO B . n B 2 46 PRO 46 42 42 PRO PRO B . n B 2 47 GLY 47 43 43 GLY GLY B . n B 2 48 THR 48 44 44 THR THR B . n B 2 49 TYR 49 45 45 TYR TYR B . n B 2 50 ILE 50 46 46 ILE ILE B . n B 2 51 ALA 51 47 47 ALA ALA B . n B 2 52 HIS 52 48 48 HIS HIS B . n B 2 53 LEU 53 49 49 LEU LEU B . n B 2 54 ASN 54 50 50 ASN ASN B . n B 2 55 GLY 55 51 51 GLY GLY B . n B 2 56 LEU 56 52 52 LEU LEU B . n B 2 57 SER 57 53 53 SER SER B . n B 2 58 LYS 58 54 54 LYS LYS B . n B 2 59 CYS 59 55 55 CYS CYS B . n B 2 60 LEU 60 56 56 LEU LEU B . n B 2 61 GLN 61 57 57 GLN GLN B . n B 2 62 CYS 62 58 58 CYS CYS B . n B 2 63 GLN 63 59 59 GLN GLN B . n B 2 64 MET 64 60 60 MET MET B . n B 2 65 CYS 65 61 61 CYS CYS B . n B 2 66 ASP 66 62 62 ASP ASP B . n B 2 67 PRO 67 63 63 PRO PRO B . n B 2 68 ALA 68 64 64 ALA ALA B . n B 2 69 MET 69 65 65 MET MET B . n B 2 70 GLY 70 66 66 GLY GLY B . n B 2 71 LEU 71 67 67 LEU LEU B . n B 2 72 ARG 72 68 68 ARG ARG B . n B 2 73 ALA 73 69 69 ALA ALA B . n B 2 74 SER 74 70 70 SER SER B . n B 2 75 ARG 75 71 71 ARG ARG B . n B 2 76 ASN 76 72 72 ASN ASN B . n B 2 77 CYS 77 73 73 CYS CYS B . n B 2 78 SER 78 74 74 SER SER B . n B 2 79 ARG 79 75 75 ARG ARG B . n B 2 80 THR 80 76 76 THR THR B . n B 2 81 GLU 81 77 77 GLU GLU B . n B 2 82 ASN 82 78 78 ASN ASN B . n B 2 83 ALA 83 79 79 ALA ALA B . n B 2 84 VAL 84 80 80 VAL VAL B . n B 2 85 CYS 85 81 81 CYS CYS B . n B 2 86 GLY 86 82 82 GLY GLY B . n B 2 87 CYS 87 83 83 CYS CYS B . n B 2 88 SER 88 84 84 SER SER B . n B 2 89 PRO 89 85 85 PRO PRO B . n B 2 90 GLY 90 86 86 GLY GLY B . n B 2 91 HIS 91 87 87 HIS HIS B . n B 2 92 PHE 92 88 88 PHE PHE B . n B 2 93 CYS 93 89 89 CYS CYS B . n B 2 94 ILE 94 90 90 ILE ILE B . n B 2 95 VAL 95 91 91 VAL VAL B . n B 2 96 GLN 96 92 92 GLN GLN B . n B 2 97 ASP 97 93 ? ? ? B . n B 2 98 GLY 98 94 ? ? ? B . n B 2 99 ASP 99 95 95 ASP ASP B . n B 2 100 HIS 100 96 96 HIS HIS B . n B 2 101 CYS 101 97 97 CYS CYS B . n B 2 102 ALA 102 98 98 ALA ALA B . n B 2 103 ALA 103 99 99 ALA ALA B . n B 2 104 CYS 104 100 100 CYS CYS B . n B 2 105 ARG 105 101 101 ARG ARG B . n B 2 106 ALA 106 102 102 ALA ALA B . n B 2 107 TYR 107 103 103 TYR TYR B . n B 2 108 ALA 108 104 ? ? ? B . n C 1 1 TRP 1 26 ? ? ? X . n C 1 2 ASN 2 27 ? ? ? X . n C 1 3 ILE 3 28 ? ? ? X . n C 1 4 HIS 4 29 ? ? ? X . n C 1 5 GLY 5 30 ? ? ? X . n C 1 6 LYS 6 31 ? ? ? X . n C 1 7 GLU 7 32 ? ? ? X . n C 1 8 SER 8 33 ? ? ? X . n C 1 9 CYS 9 34 34 CYS CYS X . n C 1 10 ASP 10 35 35 ASP ASP X . n C 1 11 VAL 11 36 36 VAL VAL X . n C 1 12 GLN 12 37 37 GLN GLN X . n C 1 13 LEU 13 38 38 LEU LEU X . n C 1 14 TYR 14 39 39 TYR TYR X . n C 1 15 ILE 15 40 40 ILE ILE X . n C 1 16 LYS 16 41 41 LYS LYS X . n C 1 17 ARG 17 42 42 ARG ARG X . n C 1 18 GLN 18 43 43 GLN GLN X . n C 1 19 SER 19 44 44 SER SER X . n C 1 20 GLU 20 45 45 GLU GLU X . n C 1 21 HIS 21 46 46 HIS HIS X . n C 1 22 SER 22 47 47 SER SER X . n C 1 23 ILE 23 48 48 ILE ILE X . n C 1 24 LEU 24 49 49 LEU LEU X . n C 1 25 ALA 25 50 50 ALA ALA X . n C 1 26 GLY 26 51 51 GLY GLY X . n C 1 27 ASP 27 52 52 ASP ASP X . n C 1 28 PRO 28 53 53 PRO PRO X . n C 1 29 PHE 29 54 54 PHE PHE X . n C 1 30 GLU 30 55 55 GLU GLU X . n C 1 31 LEU 31 56 56 LEU LEU X . n C 1 32 GLU 32 57 57 GLU GLU X . n C 1 33 CYS 33 58 58 CYS CYS X . n C 1 34 PRO 34 59 59 PRO PRO X . n C 1 35 VAL 35 60 60 VAL VAL X . n C 1 36 LYS 36 61 61 LYS LYS X . n C 1 37 TYR 37 62 62 TYR TYR X . n C 1 38 CYS 38 63 63 CYS CYS X . n C 1 39 ALA 39 64 64 ALA ALA X . n C 1 40 ASN 40 65 65 ASN ASN X . n C 1 41 ARG 41 66 66 ARG ARG X . n C 1 42 PRO 42 67 67 PRO PRO X . n C 1 43 HIS 43 68 68 HIS HIS X . n C 1 44 VAL 44 69 69 VAL VAL X . n C 1 45 THR 45 70 70 THR THR X . n C 1 46 TRP 46 71 71 TRP TRP X . n C 1 47 CYS 47 72 72 CYS CYS X . n C 1 48 LYS 48 73 73 LYS LYS X . n C 1 49 LEU 49 74 74 LEU LEU X . n C 1 50 ASN 50 75 75 ASN ASN X . n C 1 51 GLY 51 76 76 GLY GLY X . n C 1 52 THR 52 77 77 THR THR X . n C 1 53 THR 53 78 78 THR THR X . n C 1 54 CYS 54 79 79 CYS CYS X . n C 1 55 VAL 55 80 80 VAL VAL X . n C 1 56 LYS 56 81 81 LYS LYS X . n C 1 57 LEU 57 82 82 LEU LEU X . n C 1 58 GLU 58 83 83 GLU GLU X . n C 1 59 ASP 59 84 84 ASP ALA X . n C 1 60 ARG 60 85 85 ARG ARG X . n C 1 61 GLN 61 86 86 GLN GLN X . n C 1 62 THR 62 87 87 THR THR X . n C 1 63 SER 63 88 88 SER SER X . n C 1 64 TRP 64 89 89 TRP TRP X . n C 1 65 LYS 65 90 90 LYS LYS X . n C 1 66 GLU 66 91 91 GLU GLU X . n C 1 67 GLU 67 92 92 GLU GLU X . n C 1 68 LYS 68 93 93 LYS ALA X . n C 1 69 ASN 69 94 94 ASN ASN X . n C 1 70 ILE 70 95 95 ILE ILE X . n C 1 71 SER 71 96 96 SER SER X . n C 1 72 PHE 72 97 97 PHE PHE X . n C 1 73 PHE 73 98 98 PHE PHE X . n C 1 74 ILE 74 99 99 ILE ILE X . n C 1 75 LEU 75 100 100 LEU LEU X . n C 1 76 HIS 76 101 101 HIS HIS X . n C 1 77 PHE 77 102 102 PHE PHE X . n C 1 78 GLU 78 103 103 GLU GLU X . n C 1 79 PRO 79 104 104 PRO PRO X . n C 1 80 VAL 80 105 105 VAL VAL X . n C 1 81 LEU 81 106 106 LEU LEU X . n C 1 82 PRO 82 107 107 PRO PRO X . n C 1 83 ASN 83 108 108 ASN ASN X . n C 1 84 ASP 84 109 109 ASP ASP X . n C 1 85 ASN 85 110 110 ASN ASN X . n C 1 86 GLY 86 111 111 GLY GLY X . n C 1 87 SER 87 112 112 SER SER X . n C 1 88 TYR 88 113 113 TYR TYR X . n C 1 89 ARG 89 114 114 ARG ARG X . n C 1 90 CYS 90 115 115 CYS CYS X . n C 1 91 SER 91 116 116 SER SER X . n C 1 92 ALA 92 117 117 ALA ALA X . n C 1 93 ASN 93 118 118 ASN ASN X . n C 1 94 PHE 94 119 119 PHE PHE X . n C 1 95 GLN 95 120 120 GLN ALA X . n C 1 96 SER 96 121 121 SER ALA X . n C 1 97 ASN 97 122 122 ASN ASN X . n C 1 98 LEU 98 123 123 LEU LEU X . n C 1 99 ILE 99 124 124 ILE ILE X . n C 1 100 GLU 100 125 125 GLU GLU X . n C 1 101 SER 101 126 126 SER SER X . n C 1 102 HIS 102 127 127 HIS HIS X . n C 1 103 SER 103 128 128 SER SER X . n C 1 104 THR 104 129 129 THR THR X . n C 1 105 THR 105 130 130 THR THR X . n C 1 106 LEU 106 131 131 LEU LEU X . n C 1 107 TYR 107 132 132 TYR TYR X . n C 1 108 VAL 108 133 133 VAL VAL X . n C 1 109 THR 109 134 134 THR THR X . n C 1 110 ASP 110 135 135 ASP ASP X . n C 1 111 VAL 111 136 136 VAL VAL X . n C 1 112 LYS 112 137 137 LYS LYS X . n C 1 113 HIS 113 138 138 HIS HIS X . n C 1 114 HIS 114 139 139 HIS ALA X . n C 1 115 HIS 115 140 140 HIS ALA X . n C 1 116 HIS 116 141 ? ? ? X . n C 1 117 HIS 117 142 ? ? ? X . n C 1 118 HIS 118 143 ? ? ? X . n C 1 119 HIS 119 144 ? ? ? X . n C 1 120 HIS 120 145 ? ? ? X . n D 2 1 GLY 1 -3 ? ? ? Y . n D 2 2 SER 2 -2 ? ? ? Y . n D 2 3 HIS 3 -1 ? ? ? Y . n D 2 4 MET 4 0 ? ? ? Y . n D 2 5 LEU 5 1 ? ? ? Y . n D 2 6 PRO 6 2 2 PRO PRO Y . n D 2 7 SER 7 3 3 SER SER Y . n D 2 8 CYS 8 4 4 CYS CYS Y . n D 2 9 LYS 9 5 5 LYS LYS Y . n D 2 10 GLU 10 6 6 GLU GLU Y . n D 2 11 ASP 11 7 7 ASP ASP Y . n D 2 12 GLU 12 8 8 GLU GLU Y . n D 2 13 TYR 13 9 9 TYR TYR Y . n D 2 14 PRO 14 10 10 PRO PRO Y . n D 2 15 VAL 15 11 11 VAL VAL Y . n D 2 16 GLY 16 12 12 GLY GLY Y . n D 2 17 SER 17 13 13 SER SER Y . n D 2 18 GLU 18 14 14 GLU GLU Y . n D 2 19 CYS 19 15 15 CYS CYS Y . n D 2 20 CYS 20 16 16 CYS CYS Y . n D 2 21 PRO 21 17 17 PRO PRO Y . n D 2 22 LYS 22 18 18 LYS LYS Y . n D 2 23 CYS 23 19 19 CYS CYS Y . n D 2 24 SER 24 20 20 SER SER Y . n D 2 25 PRO 25 21 21 PRO PRO Y . n D 2 26 GLY 26 22 22 GLY GLY Y . n D 2 27 TYR 27 23 23 TYR TYR Y . n D 2 28 ARG 28 24 24 ARG ARG Y . n D 2 29 VAL 29 25 25 VAL VAL Y . n D 2 30 LYS 30 26 26 LYS LYS Y . n D 2 31 GLU 31 27 27 GLU GLU Y . n D 2 32 ALA 32 28 28 ALA ALA Y . n D 2 33 CYS 33 29 29 CYS CYS Y . n D 2 34 GLY 34 30 30 GLY GLY Y . n D 2 35 GLU 35 31 31 GLU GLU Y . n D 2 36 LEU 36 32 32 LEU LEU Y . n D 2 37 THR 37 33 33 THR THR Y . n D 2 38 GLY 38 34 34 GLY GLY Y . n D 2 39 THR 39 35 35 THR THR Y . n D 2 40 VAL 40 36 36 VAL VAL Y . n D 2 41 CYS 41 37 37 CYS CYS Y . n D 2 42 GLU 42 38 38 GLU GLU Y . n D 2 43 PRO 43 39 39 PRO PRO Y . n D 2 44 CYS 44 40 40 CYS CYS Y . n D 2 45 PRO 45 41 41 PRO PRO Y . n D 2 46 PRO 46 42 42 PRO PRO Y . n D 2 47 GLY 47 43 43 GLY GLY Y . n D 2 48 THR 48 44 44 THR THR Y . n D 2 49 TYR 49 45 45 TYR TYR Y . n D 2 50 ILE 50 46 46 ILE ILE Y . n D 2 51 ALA 51 47 47 ALA ALA Y . n D 2 52 HIS 52 48 48 HIS HIS Y . n D 2 53 LEU 53 49 49 LEU LEU Y . n D 2 54 ASN 54 50 50 ASN ASN Y . n D 2 55 GLY 55 51 51 GLY GLY Y . n D 2 56 LEU 56 52 52 LEU LEU Y . n D 2 57 SER 57 53 53 SER SER Y . n D 2 58 LYS 58 54 54 LYS LYS Y . n D 2 59 CYS 59 55 55 CYS CYS Y . n D 2 60 LEU 60 56 56 LEU LEU Y . n D 2 61 GLN 61 57 57 GLN GLN Y . n D 2 62 CYS 62 58 58 CYS CYS Y . n D 2 63 GLN 63 59 59 GLN GLN Y . n D 2 64 MET 64 60 60 MET MET Y . n D 2 65 CYS 65 61 61 CYS CYS Y . n D 2 66 ASP 66 62 62 ASP ASP Y . n D 2 67 PRO 67 63 63 PRO PRO Y . n D 2 68 ALA 68 64 64 ALA ALA Y . n D 2 69 MET 69 65 65 MET MET Y . n D 2 70 GLY 70 66 66 GLY GLY Y . n D 2 71 LEU 71 67 67 LEU LEU Y . n D 2 72 ARG 72 68 68 ARG ARG Y . n D 2 73 ALA 73 69 69 ALA ALA Y . n D 2 74 SER 74 70 70 SER SER Y . n D 2 75 ARG 75 71 71 ARG ARG Y . n D 2 76 ASN 76 72 72 ASN ASN Y . n D 2 77 CYS 77 73 73 CYS CYS Y . n D 2 78 SER 78 74 74 SER SER Y . n D 2 79 ARG 79 75 75 ARG ARG Y . n D 2 80 THR 80 76 76 THR THR Y . n D 2 81 GLU 81 77 77 GLU GLU Y . n D 2 82 ASN 82 78 78 ASN ASN Y . n D 2 83 ALA 83 79 79 ALA ALA Y . n D 2 84 VAL 84 80 80 VAL VAL Y . n D 2 85 CYS 85 81 81 CYS CYS Y . n D 2 86 GLY 86 82 82 GLY GLY Y . n D 2 87 CYS 87 83 83 CYS CYS Y . n D 2 88 SER 88 84 84 SER SER Y . n D 2 89 PRO 89 85 85 PRO PRO Y . n D 2 90 GLY 90 86 86 GLY GLY Y . n D 2 91 HIS 91 87 87 HIS HIS Y . n D 2 92 PHE 92 88 88 PHE PHE Y . n D 2 93 CYS 93 89 89 CYS CYS Y . n D 2 94 ILE 94 90 90 ILE ILE Y . n D 2 95 VAL 95 91 91 VAL VAL Y . n D 2 96 GLN 96 92 92 GLN GLN Y . n D 2 97 ASP 97 93 ? ? ? Y . n D 2 98 GLY 98 94 ? ? ? Y . n D 2 99 ASP 99 95 95 ASP ASP Y . n D 2 100 HIS 100 96 96 HIS HIS Y . n D 2 101 CYS 101 97 97 CYS CYS Y . n D 2 102 ALA 102 98 98 ALA ALA Y . n D 2 103 ALA 103 99 99 ALA ALA Y . n D 2 104 CYS 104 100 100 CYS CYS Y . n D 2 105 ARG 105 101 101 ARG ARG Y . n D 2 106 ALA 106 102 102 ALA ALA Y . n D 2 107 TYR 107 103 103 TYR TYR Y . n D 2 108 ALA 108 104 ? ? ? Y . 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 E 3 NI 1 1 1 NI NI A . F 4 NAG 1 201 201 NAG NAG B . G 4 NAG 2 202 202 NAG NAG B . H 4 NAG 1 201 201 NAG NAG Y . I 5 FUL 2 202 202 FUL FUC Y . J 6 HOH 1 2 2 HOH HOH A . J 6 HOH 2 3 3 HOH HOH A . K 6 HOH 1 203 5 HOH HOH B . L 6 HOH 1 4 4 HOH HOH X . # 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 B ASN 76 B ASN 72 ? ASN 'GLYCOSYLATION SITE' 2 D ASN 76 Y ASN 72 ? ASN 'GLYCOSYLATION SITE' # loop_ _pdbx_struct_assembly.id _pdbx_struct_assembly.details _pdbx_struct_assembly.method_details _pdbx_struct_assembly.oligomeric_details _pdbx_struct_assembly.oligomeric_count 1 author_defined_assembly ? dimeric 2 2 author_and_software_defined_assembly PISA dimeric 2 3 software_defined_assembly PISA tetrameric 4 # loop_ _pdbx_struct_assembly_gen.assembly_id _pdbx_struct_assembly_gen.oper_expression _pdbx_struct_assembly_gen.asym_id_list 1 1 A,B,E,F,G,J,K 2 1 C,D,H,I,L 3 1 A,B,E,F,G,J,K 3 2 C,D,H,I,L # loop_ _pdbx_struct_assembly_prop.biol_id _pdbx_struct_assembly_prop.type _pdbx_struct_assembly_prop.value _pdbx_struct_assembly_prop.details 2 'ABSA (A^2)' 2180 ? 2 MORE 2 ? 2 'SSA (A^2)' 12470 ? 3 'ABSA (A^2)' 5620 ? 3 MORE -3 ? 3 'SSA (A^2)' 23960 ? # loop_ _pdbx_struct_oper_list.id _pdbx_struct_oper_list.type _pdbx_struct_oper_list.name _pdbx_struct_oper_list.symmetry_operation _pdbx_struct_oper_list.matrix[1][1] _pdbx_struct_oper_list.matrix[1][2] _pdbx_struct_oper_list.matrix[1][3] _pdbx_struct_oper_list.vector[1] _pdbx_struct_oper_list.matrix[2][1] _pdbx_struct_oper_list.matrix[2][2] _pdbx_struct_oper_list.matrix[2][3] _pdbx_struct_oper_list.vector[2] _pdbx_struct_oper_list.matrix[3][1] _pdbx_struct_oper_list.matrix[3][2] _pdbx_struct_oper_list.matrix[3][3] _pdbx_struct_oper_list.vector[3] 1 'identity operation' 1_555 x,y,z 1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 2 'crystal symmetry operation' 5_545 x+1/2,y-1/2,z 1.0000000000 0.0000000000 0.0000000000 24.6470000000 0.0000000000 1.0000000000 0.0000000000 -83.5580000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 # _pdbx_struct_special_symmetry.id 1 _pdbx_struct_special_symmetry.PDB_model_num 1 _pdbx_struct_special_symmetry.auth_asym_id A _pdbx_struct_special_symmetry.auth_comp_id NI _pdbx_struct_special_symmetry.auth_seq_id 1 _pdbx_struct_special_symmetry.PDB_ins_code ? _pdbx_struct_special_symmetry.label_asym_id E _pdbx_struct_special_symmetry.label_comp_id NI _pdbx_struct_special_symmetry.label_seq_id . # loop_ _pdbx_struct_conn_angle.id _pdbx_struct_conn_angle.ptnr1_label_atom_id _pdbx_struct_conn_angle.ptnr1_label_alt_id _pdbx_struct_conn_angle.ptnr1_label_asym_id _pdbx_struct_conn_angle.ptnr1_label_comp_id _pdbx_struct_conn_angle.ptnr1_label_seq_id _pdbx_struct_conn_angle.ptnr1_auth_atom_id _pdbx_struct_conn_angle.ptnr1_auth_asym_id _pdbx_struct_conn_angle.ptnr1_auth_comp_id _pdbx_struct_conn_angle.ptnr1_auth_seq_id _pdbx_struct_conn_angle.ptnr1_PDB_ins_code _pdbx_struct_conn_angle.ptnr1_symmetry _pdbx_struct_conn_angle.ptnr2_label_atom_id _pdbx_struct_conn_angle.ptnr2_label_alt_id _pdbx_struct_conn_angle.ptnr2_label_asym_id _pdbx_struct_conn_angle.ptnr2_label_comp_id _pdbx_struct_conn_angle.ptnr2_label_seq_id _pdbx_struct_conn_angle.ptnr2_auth_atom_id _pdbx_struct_conn_angle.ptnr2_auth_asym_id _pdbx_struct_conn_angle.ptnr2_auth_comp_id _pdbx_struct_conn_angle.ptnr2_auth_seq_id _pdbx_struct_conn_angle.ptnr2_PDB_ins_code _pdbx_struct_conn_angle.ptnr2_symmetry _pdbx_struct_conn_angle.ptnr3_label_atom_id _pdbx_struct_conn_angle.ptnr3_label_alt_id _pdbx_struct_conn_angle.ptnr3_label_asym_id _pdbx_struct_conn_angle.ptnr3_label_comp_id _pdbx_struct_conn_angle.ptnr3_label_seq_id _pdbx_struct_conn_angle.ptnr3_auth_atom_id _pdbx_struct_conn_angle.ptnr3_auth_asym_id _pdbx_struct_conn_angle.ptnr3_auth_comp_id _pdbx_struct_conn_angle.ptnr3_auth_seq_id _pdbx_struct_conn_angle.ptnr3_PDB_ins_code _pdbx_struct_conn_angle.ptnr3_symmetry _pdbx_struct_conn_angle.value _pdbx_struct_conn_angle.value_esd 1 NE2 ? A HIS 116 ? A HIS 141 ? 1_555 NI ? E NI . ? A NI 1 ? 1_555 NE2 ? A HIS 114 ? A HIS 139 ? 1_555 93.5 ? 2 NE2 ? A HIS 116 ? A HIS 141 ? 1_555 NI ? E NI . ? A NI 1 ? 1_555 NE2 ? A HIS 114 ? A HIS 139 ? 3_555 159.3 ? 3 NE2 ? A HIS 114 ? A HIS 139 ? 1_555 NI ? E NI . ? A NI 1 ? 1_555 NE2 ? A HIS 114 ? A HIS 139 ? 3_555 89.7 ? 4 NE2 ? A HIS 116 ? A HIS 141 ? 1_555 NI ? E NI . ? A NI 1 ? 1_555 NE2 ? A HIS 116 ? A HIS 141 ? 3_555 82.5 ? 5 NE2 ? A HIS 114 ? A HIS 139 ? 1_555 NI ? E NI . ? A NI 1 ? 1_555 NE2 ? A HIS 116 ? A HIS 141 ? 3_555 166.8 ? 6 NE2 ? A HIS 114 ? A HIS 139 ? 3_555 NI ? E NI . ? A NI 1 ? 1_555 NE2 ? A HIS 116 ? A HIS 141 ? 3_555 98.4 ? # 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 2005-09-27 2 'Structure model' 1 1 2008-05-01 3 'Structure model' 1 2 2011-07-13 # _pdbx_audit_revision_details.ordinal 1 _pdbx_audit_revision_details.revision_ordinal 1 _pdbx_audit_revision_details.data_content_type 'Structure model' _pdbx_audit_revision_details.provider repository _pdbx_audit_revision_details.type 'Initial release' _pdbx_audit_revision_details.description ? # loop_ _pdbx_audit_revision_group.ordinal _pdbx_audit_revision_group.revision_ordinal _pdbx_audit_revision_group.data_content_type _pdbx_audit_revision_group.group 1 2 'Structure model' 'Version format compliance' 2 3 'Structure model' Advisory 3 3 'Structure model' 'Refinement description' 4 3 'Structure model' 'Version format compliance' # loop_ _pdbx_refine_tls.pdbx_refine_id _pdbx_refine_tls.id _pdbx_refine_tls.details _pdbx_refine_tls.method _pdbx_refine_tls.origin_x _pdbx_refine_tls.origin_y _pdbx_refine_tls.origin_z _pdbx_refine_tls.T[1][1] _pdbx_refine_tls.T[2][2] _pdbx_refine_tls.T[3][3] _pdbx_refine_tls.T[1][2] _pdbx_refine_tls.T[1][3] _pdbx_refine_tls.T[2][3] _pdbx_refine_tls.L[1][1] _pdbx_refine_tls.L[2][2] _pdbx_refine_tls.L[3][3] _pdbx_refine_tls.L[1][2] _pdbx_refine_tls.L[1][3] _pdbx_refine_tls.L[2][3] _pdbx_refine_tls.S[1][1] _pdbx_refine_tls.S[2][2] _pdbx_refine_tls.S[3][3] _pdbx_refine_tls.S[1][2] _pdbx_refine_tls.S[1][3] _pdbx_refine_tls.S[2][3] _pdbx_refine_tls.S[2][1] _pdbx_refine_tls.S[3][1] _pdbx_refine_tls.S[3][2] 'X-RAY DIFFRACTION' 1 ? refined -15.9579 -0.6515 27.9524 -0.1912 0.0308 -0.1149 0.0726 0.0370 0.0490 5.7430 3.0182 5.6377 1.6678 2.7112 2.6349 0.0434 -0.3120 0.2686 -0.5259 -0.3832 0.0733 -0.0447 0.0753 -0.5976 'X-RAY DIFFRACTION' 2 ? refined -10.1881 -28.0253 19.8428 -0.0655 -0.2973 -0.0777 0.1356 0.1176 -0.0097 0.4420 10.0795 1.8136 -1.9518 -0.2194 -0.6093 -0.1128 0.0496 0.0632 -0.0999 -0.2603 0.1924 0.3023 0.5489 0.2666 'X-RAY DIFFRACTION' 3 ? refined -8.0993 13.5855 11.5595 0.1046 -0.1176 -0.1265 0.0218 -0.0158 0.0529 6.5801 3.6706 7.0992 -2.2689 2.3641 -0.6641 0.0491 -0.3873 0.3382 0.5301 0.3017 -0.2966 -0.2892 -0.8498 0.3586 'X-RAY DIFFRACTION' 4 ? refined -23.4670 37.9032 12.1993 0.0934 -0.2094 -0.1616 0.2884 0.0575 -0.0466 1.8044 10.8031 0.1549 -2.8041 0.2280 -1.2557 0.2954 0.0441 -0.3395 -0.0346 0.4172 -0.2536 -0.3132 -0.1371 0.0653 # loop_ _pdbx_refine_tls_group.pdbx_refine_id _pdbx_refine_tls_group.id _pdbx_refine_tls_group.refine_tls_id _pdbx_refine_tls_group.beg_auth_asym_id _pdbx_refine_tls_group.beg_auth_seq_id _pdbx_refine_tls_group.end_auth_asym_id _pdbx_refine_tls_group.end_auth_seq_id _pdbx_refine_tls_group.selection_details _pdbx_refine_tls_group.beg_label_asym_id _pdbx_refine_tls_group.beg_label_seq_id _pdbx_refine_tls_group.end_label_asym_id _pdbx_refine_tls_group.end_label_seq_id _pdbx_refine_tls_group.selection 'X-RAY DIFFRACTION' 1 1 A 34 A 143 ? . . . . ? 'X-RAY DIFFRACTION' 2 2 B 2 B 103 ? . . . . ? 'X-RAY DIFFRACTION' 3 3 X 34 X 140 ? . . . . ? 'X-RAY DIFFRACTION' 4 4 Y 2 Y 103 ? . . . . ? # loop_ _software.name _software.classification _software.version _software.citation_id _software.pdbx_ordinal REFMAC refinement 5.2.0005 ? 1 HKL-2000 'data reduction' . ? 2 SCALEPACK 'data scaling' . ? 3 PHASER phasing . ? 4 # 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 TYR A 39 ? ? -113.41 57.33 2 1 CYS A 63 ? ? -146.16 -51.52 3 1 ALA A 64 ? ? -75.22 -91.34 4 1 GLU A 83 ? ? -168.20 89.64 5 1 ASP A 84 ? ? -169.66 -60.92 6 1 GLN A 86 ? ? -123.42 -163.04 7 1 SER A 121 ? ? 71.29 -23.87 8 1 CYS B 29 ? ? -26.24 156.41 9 1 TYR X 39 ? ? -117.33 52.98 10 1 CYS X 63 ? ? -131.27 -66.17 11 1 ALA X 64 ? ? -54.71 -74.30 12 1 ASN X 94 ? ? 77.97 -2.07 13 1 GLN X 120 ? ? 30.37 54.32 14 1 SER X 121 ? ? 74.21 -46.42 15 1 HIS X 138 ? ? -164.26 -165.42 16 1 HIS X 139 ? ? 71.42 -121.16 17 1 CYS Y 29 ? ? -37.74 165.63 # _pdbx_validate_peptide_omega.id 1 _pdbx_validate_peptide_omega.PDB_model_num 1 _pdbx_validate_peptide_omega.auth_comp_id_1 ARG _pdbx_validate_peptide_omega.auth_asym_id_1 A _pdbx_validate_peptide_omega.auth_seq_id_1 85 _pdbx_validate_peptide_omega.PDB_ins_code_1 ? _pdbx_validate_peptide_omega.label_alt_id_1 ? _pdbx_validate_peptide_omega.auth_comp_id_2 GLN _pdbx_validate_peptide_omega.auth_asym_id_2 A _pdbx_validate_peptide_omega.auth_seq_id_2 86 _pdbx_validate_peptide_omega.PDB_ins_code_2 ? _pdbx_validate_peptide_omega.label_alt_id_2 ? _pdbx_validate_peptide_omega.omega -145.92 # 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 A THR 77 ? OG1 ? A THR 52 OG1 2 1 Y 1 A THR 77 ? CG2 ? A THR 52 CG2 3 1 Y 1 A ASP 84 ? CG ? A ASP 59 CG 4 1 Y 1 A ASP 84 ? OD1 ? A ASP 59 OD1 5 1 Y 1 A ASP 84 ? OD2 ? A ASP 59 OD2 6 1 Y 1 A LYS 93 ? CG ? A LYS 68 CG 7 1 Y 1 A LYS 93 ? CD ? A LYS 68 CD 8 1 Y 1 A LYS 93 ? CE ? A LYS 68 CE 9 1 Y 1 A LYS 93 ? NZ ? A LYS 68 NZ 10 1 Y 1 A HIS 143 ? CG ? A HIS 118 CG 11 1 Y 1 A HIS 143 ? ND1 ? A HIS 118 ND1 12 1 Y 1 A HIS 143 ? CD2 ? A HIS 118 CD2 13 1 Y 1 A HIS 143 ? CE1 ? A HIS 118 CE1 14 1 Y 1 A HIS 143 ? NE2 ? A HIS 118 NE2 15 1 Y 1 X ASP 84 ? CG ? C ASP 59 CG 16 1 Y 1 X ASP 84 ? OD1 ? C ASP 59 OD1 17 1 Y 1 X ASP 84 ? OD2 ? C ASP 59 OD2 18 1 Y 1 X LYS 93 ? CG ? C LYS 68 CG 19 1 Y 1 X LYS 93 ? CD ? C LYS 68 CD 20 1 Y 1 X LYS 93 ? CE ? C LYS 68 CE 21 1 Y 1 X LYS 93 ? NZ ? C LYS 68 NZ 22 1 Y 1 X GLN 120 ? CG ? C GLN 95 CG 23 1 Y 1 X GLN 120 ? CD ? C GLN 95 CD 24 1 Y 1 X GLN 120 ? OE1 ? C GLN 95 OE1 25 1 Y 1 X GLN 120 ? NE2 ? C GLN 95 NE2 26 1 Y 1 X SER 121 ? OG ? C SER 96 OG 27 1 Y 1 X HIS 139 ? CG ? C HIS 114 CG 28 1 Y 1 X HIS 139 ? ND1 ? C HIS 114 ND1 29 1 Y 1 X HIS 139 ? CD2 ? C HIS 114 CD2 30 1 Y 1 X HIS 139 ? CE1 ? C HIS 114 CE1 31 1 Y 1 X HIS 139 ? NE2 ? C HIS 114 NE2 32 1 Y 1 X HIS 140 ? CG ? C HIS 115 CG 33 1 Y 1 X HIS 140 ? ND1 ? C HIS 115 ND1 34 1 Y 1 X HIS 140 ? CD2 ? C HIS 115 CD2 35 1 Y 1 X HIS 140 ? CE1 ? C HIS 115 CE1 36 1 Y 1 X HIS 140 ? NE2 ? C HIS 115 NE2 # loop_ _pdbx_unobs_or_zero_occ_residues.id _pdbx_unobs_or_zero_occ_residues.PDB_model_num _pdbx_unobs_or_zero_occ_residues.polymer_flag _pdbx_unobs_or_zero_occ_residues.occupancy_flag _pdbx_unobs_or_zero_occ_residues.auth_asym_id _pdbx_unobs_or_zero_occ_residues.auth_comp_id _pdbx_unobs_or_zero_occ_residues.auth_seq_id _pdbx_unobs_or_zero_occ_residues.PDB_ins_code _pdbx_unobs_or_zero_occ_residues.label_asym_id _pdbx_unobs_or_zero_occ_residues.label_comp_id _pdbx_unobs_or_zero_occ_residues.label_seq_id 1 1 Y 1 A TRP 26 ? A TRP 1 2 1 Y 1 A ASN 27 ? A ASN 2 3 1 Y 1 A ILE 28 ? A ILE 3 4 1 Y 1 A HIS 29 ? A HIS 4 5 1 Y 1 A GLY 30 ? A GLY 5 6 1 Y 1 A LYS 31 ? A LYS 6 7 1 Y 1 A GLU 32 ? A GLU 7 8 1 Y 1 A SER 33 ? A SER 8 9 1 Y 1 A HIS 144 ? A HIS 119 10 1 Y 1 A HIS 145 ? A HIS 120 11 1 Y 1 B GLY -3 ? B GLY 1 12 1 Y 1 B SER -2 ? B SER 2 13 1 Y 1 B HIS -1 ? B HIS 3 14 1 Y 1 B MET 0 ? B MET 4 15 1 Y 1 B LEU 1 ? B LEU 5 16 1 Y 1 B ASP 93 ? B ASP 97 17 1 Y 1 B GLY 94 ? B GLY 98 18 1 Y 1 B ALA 104 ? B ALA 108 19 1 Y 1 X TRP 26 ? C TRP 1 20 1 Y 1 X ASN 27 ? C ASN 2 21 1 Y 1 X ILE 28 ? C ILE 3 22 1 Y 1 X HIS 29 ? C HIS 4 23 1 Y 1 X GLY 30 ? C GLY 5 24 1 Y 1 X LYS 31 ? C LYS 6 25 1 Y 1 X GLU 32 ? C GLU 7 26 1 Y 1 X SER 33 ? C SER 8 27 1 Y 1 X HIS 141 ? C HIS 116 28 1 Y 1 X HIS 142 ? C HIS 117 29 1 Y 1 X HIS 143 ? C HIS 118 30 1 Y 1 X HIS 144 ? C HIS 119 31 1 Y 1 X HIS 145 ? C HIS 120 32 1 Y 1 Y GLY -3 ? D GLY 1 33 1 Y 1 Y SER -2 ? D SER 2 34 1 Y 1 Y HIS -1 ? D HIS 3 35 1 Y 1 Y MET 0 ? D MET 4 36 1 Y 1 Y LEU 1 ? D LEU 5 37 1 Y 1 Y ASP 93 ? D ASP 97 38 1 Y 1 Y GLY 94 ? D GLY 98 39 1 Y 1 Y ALA 104 ? D ALA 108 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 3 'NICKEL (II) ION' NI 4 N-ACETYL-D-GLUCOSAMINE NAG 5 BETA-L-FUCOSE FUL 6 water HOH #