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|
data_1A7G
#
_entry.id 1A7G
#
_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 1A7G
WWPDB D_1000170487
#
_pdbx_database_status.status_code REL
_pdbx_database_status.entry_id 1A7G
_pdbx_database_status.recvd_initial_deposition_date 1998-03-13
_pdbx_database_status.deposit_site ?
_pdbx_database_status.process_site ?
_pdbx_database_status.SG_entry .
_pdbx_database_status.pdb_format_compatible Y
_pdbx_database_status.status_code_mr ?
_pdbx_database_status.status_code_sf ?
_pdbx_database_status.status_code_cs ?
#
loop_
_audit_author.name
_audit_author.pdbx_ordinal
'Bussiere, D.E.' 1
'Giranda, V.L.' 2
#
_citation.id primary
_citation.title 'Structure of the E2 DNA-binding domain from human papillomavirus serotype 31 at 2.4 A.'
_citation.journal_abbrev 'Acta Crystallogr.,Sect.D'
_citation.journal_volume 54
_citation.page_first 1367
_citation.page_last 1376
_citation.year 1998
_citation.journal_id_ASTM ABCRE6
_citation.country DK
_citation.journal_id_ISSN 0907-4449
_citation.journal_id_CSD 0766
_citation.book_publisher ?
_citation.pdbx_database_id_PubMed 10089498
_citation.pdbx_database_id_DOI 10.1107/S0907444998005587
#
loop_
_citation_author.citation_id
_citation_author.name
_citation_author.ordinal
primary 'Bussiere, D.E.' 1
primary 'Kong, X.' 2
primary 'Egan, D.A.' 3
primary 'Walter, K.' 4
primary 'Holzman, T.F.' 5
primary 'Lindh, F.' 6
primary 'Robins, T.' 7
primary 'Giranda, V.L.' 8
#
_cell.entry_id 1A7G
_cell.length_a 45.890
_cell.length_b 45.890
_cell.length_c 195.636
_cell.angle_alpha 90.00
_cell.angle_beta 90.00
_cell.angle_gamma 120.00
_cell.Z_PDB 12
_cell.pdbx_unique_axis ?
#
_symmetry.entry_id 1A7G
_symmetry.space_group_name_H-M 'P 61 2 2'
_symmetry.pdbx_full_space_group_name_H-M ?
_symmetry.cell_setting ?
_symmetry.Int_Tables_number 178
#
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 'REGULATORY PROTEIN E2' 9362.728 1 ? ? 'DNA-BINDING DOMAIN' ?
2 non-polymer syn 'SULFATE ION' 96.063 2 ? ? ? ?
3 water nat water 18.015 74 ? ? ? ?
#
_entity_name_com.entity_id 1
_entity_name_com.name 'E2 DBD'
#
_entity_poly.entity_id 1
_entity_poly.type 'polypeptide(L)'
_entity_poly.nstd_linkage no
_entity_poly.nstd_monomer no
_entity_poly.pdbx_seq_one_letter_code
;ATTPIIHLKGDANILKCLRYRLSKYKQLYEQVSSTWHWTCTDGKHKNAIVTLTYISTSQRDDFLNTVVIPNTVSVSTGYM
TI
;
_entity_poly.pdbx_seq_one_letter_code_can
;ATTPIIHLKGDANILKCLRYRLSKYKQLYEQVSSTWHWTCTDGKHKNAIVTLTYISTSQRDDFLNTVVIPNTVSVSTGYM
TI
;
_entity_poly.pdbx_strand_id E
_entity_poly.pdbx_target_identifier ?
#
loop_
_entity_poly_seq.entity_id
_entity_poly_seq.num
_entity_poly_seq.mon_id
_entity_poly_seq.hetero
1 1 ALA n
1 2 THR n
1 3 THR n
1 4 PRO n
1 5 ILE n
1 6 ILE n
1 7 HIS n
1 8 LEU n
1 9 LYS n
1 10 GLY n
1 11 ASP n
1 12 ALA n
1 13 ASN n
1 14 ILE n
1 15 LEU n
1 16 LYS n
1 17 CYS n
1 18 LEU n
1 19 ARG n
1 20 TYR n
1 21 ARG n
1 22 LEU n
1 23 SER n
1 24 LYS n
1 25 TYR n
1 26 LYS n
1 27 GLN n
1 28 LEU n
1 29 TYR n
1 30 GLU n
1 31 GLN n
1 32 VAL n
1 33 SER n
1 34 SER n
1 35 THR n
1 36 TRP n
1 37 HIS n
1 38 TRP n
1 39 THR n
1 40 CYS n
1 41 THR n
1 42 ASP n
1 43 GLY n
1 44 LYS n
1 45 HIS n
1 46 LYS n
1 47 ASN n
1 48 ALA n
1 49 ILE n
1 50 VAL n
1 51 THR n
1 52 LEU n
1 53 THR n
1 54 TYR n
1 55 ILE n
1 56 SER n
1 57 THR n
1 58 SER n
1 59 GLN n
1 60 ARG n
1 61 ASP n
1 62 ASP n
1 63 PHE n
1 64 LEU n
1 65 ASN n
1 66 THR n
1 67 VAL n
1 68 VAL n
1 69 ILE n
1 70 PRO n
1 71 ASN n
1 72 THR n
1 73 VAL n
1 74 SER n
1 75 VAL n
1 76 SER n
1 77 THR n
1 78 GLY n
1 79 TYR n
1 80 MET n
1 81 THR n
1 82 ILE n
#
_entity_src_gen.entity_id 1
_entity_src_gen.pdbx_src_id 1
_entity_src_gen.pdbx_alt_source_flag sample
_entity_src_gen.pdbx_seq_type ?
_entity_src_gen.pdbx_beg_seq_num ?
_entity_src_gen.pdbx_end_seq_num ?
_entity_src_gen.gene_src_common_name ?
_entity_src_gen.gene_src_genus Alphapapillomavirus
_entity_src_gen.pdbx_gene_src_gene E2
_entity_src_gen.gene_src_species 'Human papillomavirus - 16'
_entity_src_gen.gene_src_strain SEROTYPE-31
_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 'Human papillomavirus type 31'
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 10585
_entity_src_gen.pdbx_gene_src_variant ?
_entity_src_gen.pdbx_gene_src_cell_line BL21
_entity_src_gen.pdbx_gene_src_atcc ?
_entity_src_gen.pdbx_gene_src_organ ?
_entity_src_gen.pdbx_gene_src_organelle ?
_entity_src_gen.pdbx_gene_src_cell ?
_entity_src_gen.pdbx_gene_src_cellular_location ?
_entity_src_gen.host_org_common_name ?
_entity_src_gen.pdbx_host_org_scientific_name 'Escherichia coli'
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 562
_entity_src_gen.host_org_genus Escherichia
_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 'BL21 (DE3) PLYSS'
_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 BL21
_entity_src_gen.plasmid_details ?
_entity_src_gen.pdbx_description ?
#
_struct_ref.id 1
_struct_ref.db_name UNP
_struct_ref.db_code VE2_HPV31
_struct_ref.entity_id 1
_struct_ref.pdbx_db_accession P17383
_struct_ref.pdbx_align_begin 1
_struct_ref.pdbx_seq_one_letter_code
;METLSQRLNVCQDKILEHYENDSKRLCDHIDYWKHIRLECVLMYKAREMGIHSINHQVVPALSVSKAKALQAIELQMMLE
TLNNTEYKNEDWTMQQTSLELYLTAPTGCLKKHGYTVEVQFDGDVHNTMHYTNWKFIYLCIDGQCTVVEGQVNCKGIYYV
HEGHITYFVNFTEEAKKYGTGKKWEVHAGGQVIVFPESVFSSDEISFAGIVTKLPTANNTTTSNSKTCALGTSEGVRRAT
TSTKRPRTEPEHRNTHHPNKLLRGDSVDSVNCGVISAAACTNQTRAVSCPATTPIIHLKGDANILKCLRYRLSKYKQLYE
QVSSTWHWTCTDGKHKNAIVTLTYISTSQRDDFLNTVKIPNTVSVSTGYMTI
;
_struct_ref.pdbx_db_isoform ?
#
_struct_ref_seq.align_id 1
_struct_ref_seq.ref_id 1
_struct_ref_seq.pdbx_PDB_id_code 1A7G
_struct_ref_seq.pdbx_strand_id E
_struct_ref_seq.seq_align_beg 1
_struct_ref_seq.pdbx_seq_align_beg_ins_code ?
_struct_ref_seq.seq_align_end 82
_struct_ref_seq.pdbx_seq_align_end_ins_code ?
_struct_ref_seq.pdbx_db_accession P17383
_struct_ref_seq.db_align_beg 291
_struct_ref_seq.pdbx_db_align_beg_ins_code ?
_struct_ref_seq.db_align_end 372
_struct_ref_seq.pdbx_db_align_end_ins_code ?
_struct_ref_seq.pdbx_auth_seq_align_beg 291
_struct_ref_seq.pdbx_auth_seq_align_end 372
#
_struct_ref_seq_dif.align_id 1
_struct_ref_seq_dif.pdbx_pdb_id_code 1A7G
_struct_ref_seq_dif.mon_id VAL
_struct_ref_seq_dif.pdbx_pdb_strand_id E
_struct_ref_seq_dif.seq_num 68
_struct_ref_seq_dif.pdbx_pdb_ins_code ?
_struct_ref_seq_dif.pdbx_seq_db_name UNP
_struct_ref_seq_dif.pdbx_seq_db_accession_code P17383
_struct_ref_seq_dif.db_mon_id LYS
_struct_ref_seq_dif.pdbx_seq_db_seq_num 358
_struct_ref_seq_dif.details CONFLICT
_struct_ref_seq_dif.pdbx_auth_seq_num 358
_struct_ref_seq_dif.pdbx_ordinal 1
#
loop_
_chem_comp.id
_chem_comp.type
_chem_comp.mon_nstd_flag
_chem_comp.name
_chem_comp.pdbx_synonyms
_chem_comp.formula
_chem_comp.formula_weight
ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093
ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209
ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118
ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103
CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158
GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144
GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129
GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067
HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162
HOH non-polymer . WATER ? 'H2 O' 18.015
ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173
LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173
LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195
MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211
PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189
PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130
SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093
SO4 non-polymer . 'SULFATE ION' ? 'O4 S -2' 96.063
THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119
TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.225
TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189
VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146
#
_exptl.entry_id 1A7G
_exptl.method 'X-RAY DIFFRACTION'
_exptl.crystals_number 1
#
_exptl_crystal.id 1
_exptl_crystal.density_meas ?
_exptl_crystal.density_Matthews 3.17
_exptl_crystal.density_percent_sol 61.26
_exptl_crystal.description ?
#
_exptl_crystal_grow.crystal_id 1
_exptl_crystal_grow.method ?
_exptl_crystal_grow.temp ?
_exptl_crystal_grow.temp_details ?
_exptl_crystal_grow.pH 6.0
_exptl_crystal_grow.pdbx_pH_range ?
_exptl_crystal_grow.pdbx_details 'pH 6.0'
#
_diffrn.id 1
_diffrn.ambient_temp 90
_diffrn.ambient_temp_details ?
_diffrn.crystal_id 1
#
_diffrn_detector.diffrn_id 1
_diffrn_detector.detector 'IMAGE PLATE'
_diffrn_detector.type RIGAKU
_diffrn_detector.pdbx_collection_date 1996-10
_diffrn_detector.details MIRROR
#
_diffrn_radiation.diffrn_id 1
_diffrn_radiation.wavelength_id 1
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l M
_diffrn_radiation.monochromator 'NI FILTER'
_diffrn_radiation.pdbx_diffrn_protocol ?
_diffrn_radiation.pdbx_scattering_type x-ray
#
_diffrn_radiation_wavelength.id 1
_diffrn_radiation_wavelength.wavelength 1.5418
_diffrn_radiation_wavelength.wt 1.0
#
_diffrn_source.diffrn_id 1
_diffrn_source.source ?
_diffrn_source.type ?
_diffrn_source.pdbx_synchrotron_site ?
_diffrn_source.pdbx_synchrotron_beamline ?
_diffrn_source.pdbx_wavelength 1.5418
_diffrn_source.pdbx_wavelength_list ?
#
_reflns.entry_id 1A7G
_reflns.observed_criterion_sigma_I -3
_reflns.observed_criterion_sigma_F ?
_reflns.d_resolution_low 100
_reflns.d_resolution_high 2.4
_reflns.number_obs 5649
_reflns.number_all ?
_reflns.percent_possible_obs 90
_reflns.pdbx_Rmerge_I_obs 0.0650000
_reflns.pdbx_Rsym_value 0.0650000
_reflns.pdbx_netI_over_sigmaI 4.0
_reflns.B_iso_Wilson_estimate ?
_reflns.pdbx_redundancy 2.0
_reflns.pdbx_ordinal 1
_reflns.pdbx_diffrn_id 1
#
_reflns_shell.d_res_high 2.4
_reflns_shell.d_res_low 2.6
_reflns_shell.percent_possible_all 88.4
_reflns_shell.Rmerge_I_obs 0.1850000
_reflns_shell.pdbx_Rsym_value 0.1850000
_reflns_shell.meanI_over_sigI_obs 2.5
_reflns_shell.pdbx_redundancy 1.5
_reflns_shell.pdbx_ordinal 1
_reflns_shell.pdbx_diffrn_id 1
#
_refine.entry_id 1A7G
_refine.ls_number_reflns_obs 4293
_refine.ls_number_reflns_all ?
_refine.pdbx_ls_sigma_I ?
_refine.pdbx_ls_sigma_F 1.0
_refine.pdbx_data_cutoff_high_absF 10000000.00
_refine.pdbx_data_cutoff_low_absF 0.001
_refine.pdbx_data_cutoff_high_rms_absF ?
_refine.ls_d_res_low 10
_refine.ls_d_res_high 2.4
_refine.ls_percent_reflns_obs 83.0
_refine.ls_R_factor_obs 0.2110000
_refine.ls_R_factor_all ?
_refine.ls_R_factor_R_work 0.2110000
_refine.ls_R_factor_R_free 0.2970000
_refine.ls_R_factor_R_free_error ?
_refine.ls_R_factor_R_free_error_details ?
_refine.ls_percent_reflns_R_free 8.3
_refine.ls_number_reflns_R_free 355
_refine.ls_number_parameters ?
_refine.ls_number_restraints ?
_refine.occupancy_min ?
_refine.occupancy_max ?
_refine.B_iso_mean 26.4
_refine.aniso_B[1][1] ?
_refine.aniso_B[2][2] ?
_refine.aniso_B[3][3] ?
_refine.aniso_B[1][2] ?
_refine.aniso_B[1][3] ?
_refine.aniso_B[2][3] ?
_refine.solvent_model_details ?
_refine.solvent_model_param_ksol ?
_refine.solvent_model_param_bsol ?
_refine.pdbx_ls_cross_valid_method THROUGHOUT
_refine.details ?
_refine.pdbx_starting_model 'BPV-1 STRUCTURE'
_refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT'
_refine.pdbx_isotropic_thermal_model RESTRAINED
_refine.pdbx_stereochemistry_target_values ?
_refine.pdbx_stereochem_target_val_spec_case ?
_refine.pdbx_R_Free_selection_details RANDOM
_refine.pdbx_overall_ESU_R ?
_refine.pdbx_overall_ESU_R_Free ?
_refine.overall_SU_ML ?
_refine.overall_SU_B ?
_refine.pdbx_refine_id 'X-RAY DIFFRACTION'
_refine.pdbx_diffrn_id 1
_refine.pdbx_TLS_residual_ADP_flag ?
_refine.correlation_coeff_Fo_to_Fc ?
_refine.correlation_coeff_Fo_to_Fc_free ?
_refine.pdbx_solvent_vdw_probe_radii ?
_refine.pdbx_solvent_ion_probe_radii ?
_refine.pdbx_solvent_shrinkage_radii ?
_refine.pdbx_overall_phase_error ?
_refine.overall_SU_R_Cruickshank_DPI ?
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI ?
_refine.pdbx_overall_SU_R_Blow_DPI ?
_refine.pdbx_overall_SU_R_free_Blow_DPI ?
#
_refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION'
_refine_hist.cycle_id LAST
_refine_hist.pdbx_number_atoms_protein 658
_refine_hist.pdbx_number_atoms_nucleic_acid 0
_refine_hist.pdbx_number_atoms_ligand 10
_refine_hist.number_atoms_solvent 74
_refine_hist.number_atoms_total 742
_refine_hist.d_res_high 2.4
_refine_hist.d_res_low 10
#
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
x_bond_d 0.014 ? ? ? 'X-RAY DIFFRACTION' ?
x_bond_d_na ? ? ? ? 'X-RAY DIFFRACTION' ?
x_bond_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ?
x_angle_d ? ? ? ? 'X-RAY DIFFRACTION' ?
x_angle_d_na ? ? ? ? 'X-RAY DIFFRACTION' ?
x_angle_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ?
x_angle_deg 2.7 ? ? ? 'X-RAY DIFFRACTION' ?
x_angle_deg_na ? ? ? ? 'X-RAY DIFFRACTION' ?
x_angle_deg_prot ? ? ? ? 'X-RAY DIFFRACTION' ?
x_dihedral_angle_d 23.2 ? ? ? 'X-RAY DIFFRACTION' ?
x_dihedral_angle_d_na ? ? ? ? 'X-RAY DIFFRACTION' ?
x_dihedral_angle_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ?
x_improper_angle_d 2.2 ? ? ? 'X-RAY DIFFRACTION' ?
x_improper_angle_d_na ? ? ? ? 'X-RAY DIFFRACTION' ?
x_improper_angle_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ?
x_mcbond_it 1.5 1.5 ? ? 'X-RAY DIFFRACTION' ?
x_mcangle_it 2.0 2.0 ? ? 'X-RAY DIFFRACTION' ?
x_scbond_it 2.0 2.0 ? ? 'X-RAY DIFFRACTION' ?
x_scangle_it 2.0 2.0 ? ? 'X-RAY DIFFRACTION' ?
#
_refine_ls_shell.pdbx_total_number_of_bins_used 9
_refine_ls_shell.d_res_high 2.4
_refine_ls_shell.d_res_low 2.5
_refine_ls_shell.number_reflns_R_work 343
_refine_ls_shell.R_factor_R_work 0.3240000
_refine_ls_shell.percent_reflns_obs 58
_refine_ls_shell.R_factor_R_free 0.3160000
_refine_ls_shell.R_factor_R_free_error ?
_refine_ls_shell.percent_reflns_R_free 4.2
_refine_ls_shell.number_reflns_R_free 26
_refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION'
_refine_ls_shell.number_reflns_all ?
_refine_ls_shell.R_factor_all ?
#
loop_
_pdbx_xplor_file.serial_no
_pdbx_xplor_file.param_file
_pdbx_xplor_file.topol_file
_pdbx_xplor_file.pdbx_refine_id
1 PARAM19X.PRO TOPH19X.PRO 'X-RAY DIFFRACTION'
2 PARHCSDX.PRO TOPHCSDX.PRO 'X-RAY DIFFRACTION'
#
_struct.entry_id 1A7G
_struct.title 'THE CRYSTAL STRUCTURE OF THE E2 DNA-BINDING DOMAIN FROM HUMAN PAPILLOMAVIRUS AT 2.4 ANGSTROMS'
_struct.pdbx_descriptor 'REGULATORY PROTEIN E2'
_struct.pdbx_model_details ?
_struct.pdbx_CASP_flag ?
_struct.pdbx_model_type_details ?
#
_struct_keywords.entry_id 1A7G
_struct_keywords.pdbx_keywords 'TRANSCRIPTION REGULATION'
_struct_keywords.text 'TRANSCRIPTION REGULATION, E2, PAPILLOMAVIRUS, CERVICAL CANCER'
#
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 2 ?
D N N 3 ?
#
_struct_biol.id 1
#
loop_
_struct_conf.conf_type_id
_struct_conf.id
_struct_conf.pdbx_PDB_helix_id
_struct_conf.beg_label_comp_id
_struct_conf.beg_label_asym_id
_struct_conf.beg_label_seq_id
_struct_conf.pdbx_beg_PDB_ins_code
_struct_conf.end_label_comp_id
_struct_conf.end_label_asym_id
_struct_conf.end_label_seq_id
_struct_conf.pdbx_end_PDB_ins_code
_struct_conf.beg_auth_comp_id
_struct_conf.beg_auth_asym_id
_struct_conf.beg_auth_seq_id
_struct_conf.end_auth_comp_id
_struct_conf.end_auth_asym_id
_struct_conf.end_auth_seq_id
_struct_conf.pdbx_PDB_helix_class
_struct_conf.details
_struct_conf.pdbx_PDB_helix_length
HELX_P HELX_P1 1 ALA A 12 ? LYS A 24 ? ALA E 302 LYS E 314 1 ? 13
HELX_P HELX_P2 2 LYS A 26 ? LEU A 28 ? LYS E 316 LEU E 318 5 ? 3
HELX_P HELX_P3 3 THR A 57 ? THR A 66 ? THR E 347 THR E 356 1 ? 10
#
_struct_conf_type.id HELX_P
_struct_conf_type.criteria ?
_struct_conf_type.reference ?
#
_struct_sheet.id A
_struct_sheet.type ?
_struct_sheet.number_strands 3
_struct_sheet.details ?
#
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
#
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 SER A 74 ? THR A 81 ? SER E 364 THR E 371
A 2 THR A 2 ? GLY A 10 ? THR E 292 GLY E 300
A 3 ALA A 48 ? TYR A 54 ? ALA E 338 TYR E 344
#
loop_
_pdbx_struct_sheet_hbond.sheet_id
_pdbx_struct_sheet_hbond.range_id_1
_pdbx_struct_sheet_hbond.range_id_2
_pdbx_struct_sheet_hbond.range_1_label_atom_id
_pdbx_struct_sheet_hbond.range_1_label_comp_id
_pdbx_struct_sheet_hbond.range_1_label_asym_id
_pdbx_struct_sheet_hbond.range_1_label_seq_id
_pdbx_struct_sheet_hbond.range_1_PDB_ins_code
_pdbx_struct_sheet_hbond.range_1_auth_atom_id
_pdbx_struct_sheet_hbond.range_1_auth_comp_id
_pdbx_struct_sheet_hbond.range_1_auth_asym_id
_pdbx_struct_sheet_hbond.range_1_auth_seq_id
_pdbx_struct_sheet_hbond.range_2_label_atom_id
_pdbx_struct_sheet_hbond.range_2_label_comp_id
_pdbx_struct_sheet_hbond.range_2_label_asym_id
_pdbx_struct_sheet_hbond.range_2_label_seq_id
_pdbx_struct_sheet_hbond.range_2_PDB_ins_code
_pdbx_struct_sheet_hbond.range_2_auth_atom_id
_pdbx_struct_sheet_hbond.range_2_auth_comp_id
_pdbx_struct_sheet_hbond.range_2_auth_asym_id
_pdbx_struct_sheet_hbond.range_2_auth_seq_id
A 1 2 O SER A 74 ? O SER E 364 N LYS A 9 ? N LYS E 299
A 2 3 O PRO A 4 ? O PRO E 294 N TYR A 54 ? N TYR E 344
#
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 ? ? ? ? 5 'BINDING SITE FOR RESIDUE SO4 E 1'
AC2 Software ? ? ? ? 8 'BINDING SITE FOR RESIDUE SO4 E 2'
#
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 5 HOH D . ? HOH E 49 . ? 1_555 ?
2 AC1 5 LYS A 16 ? LYS E 306 . ? 1_555 ?
3 AC1 5 ARG A 19 ? ARG E 309 . ? 1_555 ?
4 AC1 5 SER A 34 ? SER E 324 . ? 1_555 ?
5 AC1 5 THR A 35 ? THR E 325 . ? 1_555 ?
6 AC2 8 ILE A 5 ? ILE E 295 . ? 1_555 ?
7 AC2 8 ILE A 5 ? ILE E 295 . ? 10_665 ?
8 AC2 8 HIS A 7 ? HIS E 297 . ? 1_555 ?
9 AC2 8 HIS A 7 ? HIS E 297 . ? 10_665 ?
10 AC2 8 TRP A 36 ? TRP E 326 . ? 1_555 ?
11 AC2 8 TRP A 36 ? TRP E 326 . ? 10_665 ?
12 AC2 8 THR A 51 ? THR E 341 . ? 10_665 ?
13 AC2 8 THR A 51 ? THR E 341 . ? 1_555 ?
#
_database_PDB_matrix.entry_id 1A7G
_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 1A7G
_atom_sites.fract_transf_matrix[1][1] 0.021791
_atom_sites.fract_transf_matrix[1][2] 0.012581
_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] 0.025162
_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] 0.005112
_atom_sites.fract_transf_vector[1] 0.00000
_atom_sites.fract_transf_vector[2] 0.00000
_atom_sites.fract_transf_vector[3] 0.00000
#
loop_
_atom_type.symbol
C
N
O
S
#
loop_
_atom_site.group_PDB
_atom_site.id
_atom_site.type_symbol
_atom_site.label_atom_id
_atom_site.label_alt_id
_atom_site.label_comp_id
_atom_site.label_asym_id
_atom_site.label_entity_id
_atom_site.label_seq_id
_atom_site.pdbx_PDB_ins_code
_atom_site.Cartn_x
_atom_site.Cartn_y
_atom_site.Cartn_z
_atom_site.occupancy
_atom_site.B_iso_or_equiv
_atom_site.pdbx_formal_charge
_atom_site.auth_seq_id
_atom_site.auth_comp_id
_atom_site.auth_asym_id
_atom_site.auth_atom_id
_atom_site.pdbx_PDB_model_num
ATOM 1 N N . ALA A 1 1 ? 27.255 -0.710 81.585 1.00 41.84 ? 291 ALA E N 1
ATOM 2 C CA . ALA A 1 1 ? 26.660 -0.313 80.273 1.00 41.57 ? 291 ALA E CA 1
ATOM 3 C C . ALA A 1 1 ? 26.202 1.138 80.343 1.00 40.98 ? 291 ALA E C 1
ATOM 4 O O . ALA A 1 1 ? 25.665 1.566 81.353 1.00 40.22 ? 291 ALA E O 1
ATOM 5 C CB . ALA A 1 1 ? 25.491 -1.206 79.935 1.00 41.48 ? 291 ALA E CB 1
ATOM 6 N N . THR A 1 2 ? 26.446 1.899 79.280 1.00 42.29 ? 292 THR E N 1
ATOM 7 C CA . THR A 1 2 ? 26.064 3.308 79.243 1.00 36.50 ? 292 THR E CA 1
ATOM 8 C C . THR A 1 2 ? 25.257 3.707 78.011 1.00 33.01 ? 292 THR E C 1
ATOM 9 O O . THR A 1 2 ? 25.306 3.034 76.984 1.00 32.80 ? 292 THR E O 1
ATOM 10 C CB . THR A 1 2 ? 27.306 4.227 79.305 1.00 30.88 ? 292 THR E CB 1
ATOM 11 O OG1 . THR A 1 2 ? 28.075 4.079 78.111 1.00 34.46 ? 292 THR E OG1 1
ATOM 12 C CG2 . THR A 1 2 ? 28.172 3.888 80.489 1.00 24.06 ? 292 THR E CG2 1
ATOM 13 N N . THR A 1 3 ? 24.491 4.789 78.153 1.00 23.01 ? 293 THR E N 1
ATOM 14 C CA . THR A 1 3 ? 23.682 5.374 77.091 1.00 21.59 ? 293 THR E CA 1
ATOM 15 C C . THR A 1 3 ? 24.355 6.697 76.724 1.00 22.04 ? 293 THR E C 1
ATOM 16 O O . THR A 1 3 ? 24.660 7.488 77.632 1.00 27.48 ? 293 THR E O 1
ATOM 17 C CB . THR A 1 3 ? 22.267 5.701 77.610 1.00 19.58 ? 293 THR E CB 1
ATOM 18 O OG1 . THR A 1 3 ? 21.556 4.492 77.852 1.00 23.11 ? 293 THR E OG1 1
ATOM 19 C CG2 . THR A 1 3 ? 21.504 6.530 76.634 1.00 14.57 ? 293 THR E CG2 1
ATOM 20 N N . PRO A 1 4 ? 24.749 6.893 75.441 1.00 16.17 ? 294 PRO E N 1
ATOM 21 C CA . PRO A 1 4 ? 25.375 8.186 75.125 1.00 9.64 ? 294 PRO E CA 1
ATOM 22 C C . PRO A 1 4 ? 24.254 9.200 75.242 1.00 9.17 ? 294 PRO E C 1
ATOM 23 O O . PRO A 1 4 ? 23.131 8.877 74.854 1.00 13.53 ? 294 PRO E O 1
ATOM 24 C CB . PRO A 1 4 ? 25.781 8.027 73.649 1.00 11.83 ? 294 PRO E CB 1
ATOM 25 C CG . PRO A 1 4 ? 25.895 6.569 73.456 1.00 11.40 ? 294 PRO E CG 1
ATOM 26 C CD . PRO A 1 4 ? 24.745 6.005 74.262 1.00 11.63 ? 294 PRO E CD 1
ATOM 27 N N . ILE A 1 5 ? 24.487 10.384 75.803 1.00 13.26 ? 295 ILE E N 1
ATOM 28 C CA . ILE A 1 5 ? 23.418 11.396 75.885 1.00 12.37 ? 295 ILE E CA 1
ATOM 29 C C . ILE A 1 5 ? 23.905 12.739 75.380 1.00 14.26 ? 295 ILE E C 1
ATOM 30 O O . ILE A 1 5 ? 25.094 12.922 75.130 1.00 14.38 ? 295 ILE E O 1
ATOM 31 C CB . ILE A 1 5 ? 22.847 11.584 77.301 1.00 11.70 ? 295 ILE E CB 1
ATOM 32 C CG1 . ILE A 1 5 ? 23.901 12.191 78.222 1.00 13.33 ? 295 ILE E CG1 1
ATOM 33 C CG2 . ILE A 1 5 ? 22.240 10.305 77.799 1.00 8.34 ? 295 ILE E CG2 1
ATOM 34 C CD1 . ILE A 1 5 ? 23.415 12.465 79.654 1.00 19.17 ? 295 ILE E CD1 1
ATOM 35 N N . ILE A 1 6 ? 22.988 13.657 75.119 1.00 22.27 ? 296 ILE E N 1
ATOM 36 C CA . ILE A 1 6 ? 23.388 14.985 74.661 1.00 17.48 ? 296 ILE E CA 1
ATOM 37 C C . ILE A 1 6 ? 22.523 16.075 75.251 1.00 17.09 ? 296 ILE E C 1
ATOM 38 O O . ILE A 1 6 ? 21.359 15.857 75.486 1.00 13.76 ? 296 ILE E O 1
ATOM 39 C CB . ILE A 1 6 ? 23.426 15.085 73.103 1.00 12.37 ? 296 ILE E CB 1
ATOM 40 C CG1 . ILE A 1 6 ? 24.822 14.699 72.581 1.00 16.64 ? 296 ILE E CG1 1
ATOM 41 C CG2 . ILE A 1 6 ? 23.085 16.458 72.625 1.00 11.72 ? 296 ILE E CG2 1
ATOM 42 C CD1 . ILE A 1 6 ? 25.020 14.909 71.076 1.00 11.83 ? 296 ILE E CD1 1
ATOM 43 N N . HIS A 1 7 ? 23.116 17.213 75.579 1.00 19.26 ? 297 HIS E N 1
ATOM 44 C CA . HIS A 1 7 ? 22.355 18.360 76.086 1.00 17.98 ? 297 HIS E CA 1
ATOM 45 C C . HIS A 1 7 ? 22.502 19.433 75.080 1.00 14.01 ? 297 HIS E C 1
ATOM 46 O O . HIS A 1 7 ? 23.619 19.723 74.686 1.00 10.35 ? 297 HIS E O 1
ATOM 47 C CB . HIS A 1 7 ? 22.906 18.975 77.395 1.00 13.79 ? 297 HIS E CB 1
ATOM 48 C CG . HIS A 1 7 ? 22.502 18.234 78.628 1.00 7.51 ? 297 HIS E CG 1
ATOM 49 N ND1 . HIS A 1 7 ? 22.955 18.565 79.879 1.00 11.29 ? 297 HIS E ND1 1
ATOM 50 C CD2 . HIS A 1 7 ? 21.748 17.121 78.774 1.00 6.64 ? 297 HIS E CD2 1
ATOM 51 C CE1 . HIS A 1 7 ? 22.510 17.681 80.751 1.00 4.68 ? 297 HIS E CE1 1
ATOM 52 N NE2 . HIS A 1 7 ? 21.780 16.792 80.105 1.00 11.75 ? 297 HIS E NE2 1
ATOM 53 N N . LEU A 1 8 ? 21.378 19.921 74.577 1.00 18.39 ? 298 LEU E N 1
ATOM 54 C CA . LEU A 1 8 ? 21.346 21.054 73.663 1.00 16.53 ? 298 LEU E CA 1
ATOM 55 C C . LEU A 1 8 ? 20.933 22.164 74.624 1.00 17.11 ? 298 LEU E C 1
ATOM 56 O O . LEU A 1 8 ? 19.937 22.029 75.346 1.00 18.95 ? 298 LEU E O 1
ATOM 57 C CB . LEU A 1 8 ? 20.279 20.859 72.591 1.00 14.07 ? 298 LEU E CB 1
ATOM 58 C CG . LEU A 1 8 ? 20.536 19.601 71.762 1.00 21.24 ? 298 LEU E CG 1
ATOM 59 C CD1 . LEU A 1 8 ? 19.455 19.428 70.697 1.00 15.31 ? 298 LEU E CD1 1
ATOM 60 C CD2 . LEU A 1 8 ? 21.929 19.695 71.140 1.00 5.74 ? 298 LEU E CD2 1
ATOM 61 N N . LYS A 1 9 ? 21.709 23.238 74.680 1.00 21.09 ? 299 LYS E N 1
ATOM 62 C CA . LYS A 1 9 ? 21.389 24.313 75.604 1.00 23.57 ? 299 LYS E CA 1
ATOM 63 C C . LYS A 1 9 ? 21.239 25.608 74.841 1.00 22.89 ? 299 LYS E C 1
ATOM 64 O O . LYS A 1 9 ? 21.962 25.830 73.881 1.00 24.32 ? 299 LYS E O 1
ATOM 65 C CB . LYS A 1 9 ? 22.463 24.443 76.681 1.00 23.74 ? 299 LYS E CB 1
ATOM 66 C CG . LYS A 1 9 ? 22.080 25.435 77.776 1.00 38.04 ? 299 LYS E CG 1
ATOM 67 C CD . LYS A 1 9 ? 23.172 25.587 78.838 1.00 33.07 ? 299 LYS E CD 1
ATOM 68 C CE . LYS A 1 9 ? 22.764 26.572 79.923 1.00 33.26 ? 299 LYS E CE 1
ATOM 69 N NZ . LYS A 1 9 ? 22.078 25.963 81.091 1.00 27.15 ? 299 LYS E NZ 1
ATOM 70 N N . GLY A 1 10 ? 20.249 26.420 75.223 1.00 23.38 ? 300 GLY E N 1
ATOM 71 C CA . GLY A 1 10 ? 20.020 27.696 74.551 1.00 19.40 ? 300 GLY E CA 1
ATOM 72 C C . GLY A 1 10 ? 18.615 28.263 74.729 1.00 22.63 ? 300 GLY E C 1
ATOM 73 O O . GLY A 1 10 ? 17.894 27.924 75.676 1.00 20.88 ? 300 GLY E O 1
ATOM 74 N N . ASP A 1 11 ? 18.226 29.160 73.828 1.00 15.57 ? 301 ASP E N 1
ATOM 75 C CA . ASP A 1 11 ? 16.904 29.769 73.896 1.00 12.44 ? 301 ASP E CA 1
ATOM 76 C C . ASP A 1 11 ? 15.870 28.676 73.762 1.00 14.25 ? 301 ASP E C 1
ATOM 77 O O . ASP A 1 11 ? 16.027 27.785 72.932 1.00 31.98 ? 301 ASP E O 1
ATOM 78 C CB . ASP A 1 11 ? 16.748 30.781 72.765 1.00 27.95 ? 301 ASP E CB 1
ATOM 79 C CG . ASP A 1 11 ? 15.420 31.509 72.806 1.00 26.62 ? 301 ASP E CG 1
ATOM 80 O OD1 . ASP A 1 11 ? 14.447 31.038 72.191 1.00 41.46 ? 301 ASP E OD1 1
ATOM 81 O OD2 . ASP A 1 11 ? 15.356 32.572 73.436 1.00 39.70 ? 301 ASP E OD2 1
ATOM 82 N N . ALA A 1 12 ? 14.790 28.767 74.527 1.00 18.59 ? 302 ALA E N 1
ATOM 83 C CA . ALA A 1 12 ? 13.737 27.764 74.466 1.00 21.55 ? 302 ALA E CA 1
ATOM 84 C C . ALA A 1 12 ? 13.043 27.576 73.103 1.00 24.19 ? 302 ALA E C 1
ATOM 85 O O . ALA A 1 12 ? 12.767 26.435 72.700 1.00 25.16 ? 302 ALA E O 1
ATOM 86 C CB . ALA A 1 12 ? 12.735 27.984 75.563 1.00 16.47 ? 302 ALA E CB 1
ATOM 87 N N . ASN A 1 13 ? 12.718 28.671 72.409 1.00 28.04 ? 303 ASN E N 1
ATOM 88 C CA . ASN A 1 13 ? 12.082 28.552 71.095 1.00 21.88 ? 303 ASN E CA 1
ATOM 89 C C . ASN A 1 13 ? 13.028 27.953 70.102 1.00 27.57 ? 303 ASN E C 1
ATOM 90 O O . ASN A 1 13 ? 12.613 27.144 69.276 1.00 39.11 ? 303 ASN E O 1
ATOM 91 C CB . ASN A 1 13 ? 11.610 29.886 70.554 1.00 39.41 ? 303 ASN E CB 1
ATOM 92 C CG . ASN A 1 13 ? 10.431 30.423 71.301 1.00 51.29 ? 303 ASN E CG 1
ATOM 93 O OD1 . ASN A 1 13 ? 10.082 29.926 72.369 1.00 48.17 ? 303 ASN E OD1 1
ATOM 94 N ND2 . ASN A 1 13 ? 9.782 31.437 70.730 1.00 51.77 ? 303 ASN E ND2 1
ATOM 95 N N . ILE A 1 14 ? 14.303 28.339 70.164 1.00 24.43 ? 304 ILE E N 1
ATOM 96 C CA . ILE A 1 14 ? 15.272 27.763 69.234 1.00 25.08 ? 304 ILE E CA 1
ATOM 97 C C . ILE A 1 14 ? 15.378 26.250 69.374 1.00 24.86 ? 304 ILE E C 1
ATOM 98 O O . ILE A 1 14 ? 15.508 25.544 68.370 1.00 25.42 ? 304 ILE E O 1
ATOM 99 C CB . ILE A 1 14 ? 16.659 28.361 69.397 1.00 21.64 ? 304 ILE E CB 1
ATOM 100 C CG1 . ILE A 1 14 ? 16.634 29.833 69.017 1.00 15.44 ? 304 ILE E CG1 1
ATOM 101 C CG2 . ILE A 1 14 ? 17.656 27.618 68.576 1.00 12.61 ? 304 ILE E CG2 1
ATOM 102 C CD1 . ILE A 1 14 ? 17.981 30.478 69.131 1.00 24.23 ? 304 ILE E CD1 1
ATOM 103 N N . LEU A 1 15 ? 15.364 25.758 70.607 1.00 23.47 ? 305 LEU E N 1
ATOM 104 C CA . LEU A 1 15 ? 15.416 24.322 70.859 1.00 23.34 ? 305 LEU E CA 1
ATOM 105 C C . LEU A 1 15 ? 14.146 23.627 70.369 1.00 18.64 ? 305 LEU E C 1
ATOM 106 O O . LEU A 1 15 ? 14.180 22.486 69.914 1.00 18.16 ? 305 LEU E O 1
ATOM 107 C CB . LEU A 1 15 ? 15.643 24.043 72.349 1.00 17.48 ? 305 LEU E CB 1
ATOM 108 C CG . LEU A 1 15 ? 16.936 24.625 72.930 1.00 16.49 ? 305 LEU E CG 1
ATOM 109 C CD1 . LEU A 1 15 ? 17.093 24.152 74.349 1.00 16.38 ? 305 LEU E CD1 1
ATOM 110 C CD2 . LEU A 1 15 ? 18.141 24.254 72.123 1.00 11.71 ? 305 LEU E CD2 1
ATOM 111 N N . LYS A 1 16 ? 13.012 24.272 70.582 1.00 17.16 ? 306 LYS E N 1
ATOM 112 C CA . LYS A 1 16 ? 11.732 23.735 70.134 1.00 22.57 ? 306 LYS E CA 1
ATOM 113 C C . LYS A 1 16 ? 11.692 23.578 68.646 1.00 21.51 ? 306 LYS E C 1
ATOM 114 O O . LYS A 1 16 ? 11.220 22.556 68.155 1.00 28.89 ? 306 LYS E O 1
ATOM 115 C CB . LYS A 1 16 ? 10.539 24.563 70.631 1.00 30.68 ? 306 LYS E CB 1
ATOM 116 C CG . LYS A 1 16 ? 10.457 24.592 72.148 1.00 33.67 ? 306 LYS E CG 1
ATOM 117 C CD . LYS A 1 16 ? 9.267 25.362 72.664 1.00 37.07 ? 306 LYS E CD 1
ATOM 118 C CE . LYS A 1 16 ? 9.264 25.392 74.197 1.00 41.13 ? 306 LYS E CE 1
ATOM 119 N NZ . LYS A 1 16 ? 7.982 25.855 74.775 1.00 40.52 ? 306 LYS E NZ 1
ATOM 120 N N . CYS A 1 17 ? 12.241 24.553 67.927 1.00 22.95 ? 307 CYS E N 1
ATOM 121 C CA . CYS A 1 17 ? 12.278 24.472 66.471 1.00 28.04 ? 307 CYS E CA 1
ATOM 122 C C . CYS A 1 17 ? 13.261 23.406 66.000 1.00 24.95 ? 307 CYS E C 1
ATOM 123 O O . CYS A 1 17 ? 12.988 22.665 65.048 1.00 26.86 ? 307 CYS E O 1
ATOM 124 C CB . CYS A 1 17 ? 12.560 25.841 65.846 1.00 33.73 ? 307 CYS E CB 1
ATOM 125 S SG . CYS A 1 17 ? 11.137 26.988 65.973 1.00 38.96 ? 307 CYS E SG 1
ATOM 126 N N . LEU A 1 18 ? 14.400 23.330 66.677 1.00 19.26 ? 308 LEU E N 1
ATOM 127 C CA . LEU A 1 18 ? 15.424 22.336 66.362 1.00 19.64 ? 308 LEU E CA 1
ATOM 128 C C . LEU A 1 18 ? 14.800 20.942 66.543 1.00 19.51 ? 308 LEU E C 1
ATOM 129 O O . LEU A 1 18 ? 14.933 20.072 65.684 1.00 18.33 ? 308 LEU E O 1
ATOM 130 C CB . LEU A 1 18 ? 16.623 22.520 67.302 1.00 25.34 ? 308 LEU E CB 1
ATOM 131 C CG . LEU A 1 18 ? 18.000 21.926 66.968 1.00 29.19 ? 308 LEU E CG 1
ATOM 132 C CD1 . LEU A 1 18 ? 19.035 22.553 67.881 1.00 29.96 ? 308 LEU E CD1 1
ATOM 133 C CD2 . LEU A 1 18 ? 18.020 20.431 67.080 1.00 36.58 ? 308 LEU E CD2 1
ATOM 134 N N . ARG A 1 19 ? 14.043 20.787 67.643 1.00 25.20 ? 309 ARG E N 1
ATOM 135 C CA . ARG A 1 19 ? 13.360 19.526 67.981 1.00 21.91 ? 309 ARG E CA 1
ATOM 136 C C . ARG A 1 19 ? 12.365 19.135 66.873 1.00 18.89 ? 309 ARG E C 1
ATOM 137 O O . ARG A 1 19 ? 12.232 17.953 66.562 1.00 28.07 ? 309 ARG E O 1
ATOM 138 C CB . ARG A 1 19 ? 12.647 19.637 69.335 1.00 14.65 ? 309 ARG E CB 1
ATOM 139 C CG . ARG A 1 19 ? 12.393 18.279 69.962 1.00 20.39 ? 309 ARG E CG 1
ATOM 140 C CD . ARG A 1 19 ? 11.372 18.270 71.065 1.00 18.13 ? 309 ARG E CD 1
ATOM 141 N NE . ARG A 1 19 ? 11.635 19.312 72.040 1.00 27.47 ? 309 ARG E NE 1
ATOM 142 C CZ . ARG A 1 19 ? 10.695 20.121 72.531 1.00 30.10 ? 309 ARG E CZ 1
ATOM 143 N NH1 . ARG A 1 19 ? 9.429 19.986 72.157 1.00 28.49 ? 309 ARG E NH1 1
ATOM 144 N NH2 . ARG A 1 19 ? 11.032 21.157 73.291 1.00 32.30 ? 309 ARG E NH2 1
ATOM 145 N N . TYR A 1 20 ? 11.623 20.090 66.320 1.00 19.01 ? 310 TYR E N 1
ATOM 146 C CA . TYR A 1 20 ? 10.739 19.791 65.194 1.00 21.66 ? 310 TYR E CA 1
ATOM 147 C C . TYR A 1 20 ? 11.555 19.294 64.008 1.00 18.88 ? 310 TYR E C 1
ATOM 148 O O . TYR A 1 20 ? 11.136 18.376 63.310 1.00 18.80 ? 310 TYR E O 1
ATOM 149 C CB . TYR A 1 20 ? 9.962 21.015 64.716 1.00 13.81 ? 310 TYR E CB 1
ATOM 150 C CG . TYR A 1 20 ? 8.851 21.470 65.603 1.00 8.28 ? 310 TYR E CG 1
ATOM 151 C CD1 . TYR A 1 20 ? 7.832 20.604 65.958 1.00 2.29 ? 310 TYR E CD1 1
ATOM 152 C CD2 . TYR A 1 20 ? 8.793 22.797 66.053 1.00 11.64 ? 310 TYR E CD2 1
ATOM 153 C CE1 . TYR A 1 20 ? 6.770 21.028 66.733 1.00 4.89 ? 310 TYR E CE1 1
ATOM 154 C CE2 . TYR A 1 20 ? 7.732 23.248 66.847 1.00 2.95 ? 310 TYR E CE2 1
ATOM 155 C CZ . TYR A 1 20 ? 6.727 22.346 67.168 1.00 9.28 ? 310 TYR E CZ 1
ATOM 156 O OH . TYR A 1 20 ? 5.625 22.785 67.869 1.00 14.39 ? 310 TYR E OH 1
ATOM 157 N N . ARG A 1 21 ? 12.696 19.925 63.755 1.00 16.51 ? 311 ARG E N 1
ATOM 158 C CA . ARG A 1 21 ? 13.577 19.525 62.647 1.00 17.74 ? 311 ARG E CA 1
ATOM 159 C C . ARG A 1 21 ? 14.193 18.127 62.794 1.00 20.62 ? 311 ARG E C 1
ATOM 160 O O . ARG A 1 21 ? 14.555 17.489 61.813 1.00 26.46 ? 311 ARG E O 1
ATOM 161 C CB . ARG A 1 21 ? 14.657 20.573 62.422 1.00 14.02 ? 311 ARG E CB 1
ATOM 162 C CG . ARG A 1 21 ? 14.083 21.890 62.027 1.00 14.05 ? 311 ARG E CG 1
ATOM 163 C CD . ARG A 1 21 ? 15.160 22.889 61.709 1.00 21.22 ? 311 ARG E CD 1
ATOM 164 N NE . ARG A 1 21 ? 14.605 23.918 60.824 1.00 29.16 ? 311 ARG E NE 1
ATOM 165 C CZ . ARG A 1 21 ? 14.230 25.133 61.194 1.00 28.47 ? 311 ARG E CZ 1
ATOM 166 N NH1 . ARG A 1 21 ? 14.353 25.518 62.468 1.00 30.30 ? 311 ARG E NH1 1
ATOM 167 N NH2 . ARG A 1 21 ? 13.708 25.945 60.280 1.00 26.58 ? 311 ARG E NH2 1
ATOM 168 N N . LEU A 1 22 ? 14.378 17.684 64.032 1.00 26.07 ? 312 LEU E N 1
ATOM 169 C CA . LEU A 1 22 ? 14.927 16.361 64.293 1.00 28.27 ? 312 LEU E CA 1
ATOM 170 C C . LEU A 1 22 ? 14.012 15.288 63.726 1.00 35.21 ? 312 LEU E C 1
ATOM 171 O O . LEU A 1 22 ? 14.448 14.152 63.580 1.00 47.00 ? 312 LEU E O 1
ATOM 172 C CB . LEU A 1 22 ? 15.106 16.140 65.794 1.00 36.76 ? 312 LEU E CB 1
ATOM 173 C CG . LEU A 1 22 ? 16.048 17.141 66.477 1.00 47.08 ? 312 LEU E CG 1
ATOM 174 C CD1 . LEU A 1 22 ? 16.175 16.871 67.967 1.00 44.90 ? 312 LEU E CD1 1
ATOM 175 C CD2 . LEU A 1 22 ? 17.407 17.117 65.807 1.00 46.87 ? 312 LEU E CD2 1
ATOM 176 N N . SER A 1 23 ? 12.739 15.618 63.460 1.00 42.76 ? 313 SER E N 1
ATOM 177 C CA . SER A 1 23 ? 11.761 14.632 62.936 1.00 44.00 ? 313 SER E CA 1
ATOM 178 C C . SER A 1 23 ? 12.224 14.018 61.634 1.00 42.48 ? 313 SER E C 1
ATOM 179 O O . SER A 1 23 ? 11.731 12.976 61.218 1.00 45.35 ? 313 SER E O 1
ATOM 180 C CB . SER A 1 23 ? 10.368 15.232 62.734 1.00 46.73 ? 313 SER E CB 1
ATOM 181 O OG . SER A 1 23 ? 10.284 15.966 61.529 1.00 48.46 ? 313 SER E OG 1
ATOM 182 N N . LYS A 1 24 ? 13.090 14.749 60.945 1.00 39.76 ? 314 LYS E N 1
ATOM 183 C CA . LYS A 1 24 ? 13.683 14.301 59.693 1.00 40.71 ? 314 LYS E CA 1
ATOM 184 C C . LYS A 1 24 ? 14.833 13.332 59.972 1.00 32.54 ? 314 LYS E C 1
ATOM 185 O O . LYS A 1 24 ? 15.272 12.593 59.091 1.00 40.26 ? 314 LYS E O 1
ATOM 186 C CB . LYS A 1 24 ? 14.206 15.509 58.903 1.00 44.39 ? 314 LYS E CB 1
ATOM 187 C CG . LYS A 1 24 ? 15.043 15.099 57.716 1.00 57.45 ? 314 LYS E CG 1
ATOM 188 C CD . LYS A 1 24 ? 15.660 16.238 56.934 1.00 59.47 ? 314 LYS E CD 1
ATOM 189 C CE . LYS A 1 24 ? 16.640 15.639 55.921 1.00 62.57 ? 314 LYS E CE 1
ATOM 190 N NZ . LYS A 1 24 ? 16.033 14.507 55.154 1.00 58.94 ? 314 LYS E NZ 1
ATOM 191 N N . TYR A 1 25 ? 15.294 13.321 61.215 1.00 26.42 ? 315 TYR E N 1
ATOM 192 C CA . TYR A 1 25 ? 16.436 12.505 61.608 1.00 24.30 ? 315 TYR E CA 1
ATOM 193 C C . TYR A 1 25 ? 16.268 11.497 62.751 1.00 25.37 ? 315 TYR E C 1
ATOM 194 O O . TYR A 1 25 ? 17.261 11.116 63.389 1.00 24.96 ? 315 TYR E O 1
ATOM 195 C CB . TYR A 1 25 ? 17.544 13.462 61.966 1.00 19.54 ? 315 TYR E CB 1
ATOM 196 C CG . TYR A 1 25 ? 17.918 14.364 60.822 1.00 23.92 ? 315 TYR E CG 1
ATOM 197 C CD1 . TYR A 1 25 ? 18.854 13.959 59.876 1.00 27.84 ? 315 TYR E CD1 1
ATOM 198 C CD2 . TYR A 1 25 ? 17.385 15.644 60.708 1.00 19.51 ? 315 TYR E CD2 1
ATOM 199 C CE1 . TYR A 1 25 ? 19.260 14.812 58.858 1.00 23.30 ? 315 TYR E CE1 1
ATOM 200 C CE2 . TYR A 1 25 ? 17.784 16.494 59.692 1.00 20.14 ? 315 TYR E CE2 1
ATOM 201 C CZ . TYR A 1 25 ? 18.728 16.072 58.787 1.00 18.64 ? 315 TYR E CZ 1
ATOM 202 O OH . TYR A 1 25 ? 19.241 16.930 57.854 1.00 30.84 ? 315 TYR E OH 1
ATOM 203 N N . LYS A 1 26 ? 15.047 10.991 62.920 1.00 17.18 ? 316 LYS E N 1
ATOM 204 C CA . LYS A 1 26 ? 14.660 10.052 63.974 1.00 16.85 ? 316 LYS E CA 1
ATOM 205 C C . LYS A 1 26 ? 15.551 8.848 64.061 1.00 17.81 ? 316 LYS E C 1
ATOM 206 O O . LYS A 1 26 ? 15.638 8.223 65.111 1.00 20.62 ? 316 LYS E O 1
ATOM 207 C CB . LYS A 1 26 ? 13.251 9.562 63.715 1.00 19.03 ? 316 LYS E CB 1
ATOM 208 C CG . LYS A 1 26 ? 12.268 10.666 63.679 1.00 20.54 ? 316 LYS E CG 1
ATOM 209 C CD . LYS A 1 26 ? 11.024 10.206 63.003 1.00 29.04 ? 316 LYS E CD 1
ATOM 210 C CE . LYS A 1 26 ? 11.331 9.582 61.614 1.00 36.08 ? 316 LYS E CE 1
ATOM 211 N NZ . LYS A 1 26 ? 12.123 10.443 60.658 1.00 33.40 ? 316 LYS E NZ 1
ATOM 212 N N . GLN A 1 27 ? 16.108 8.433 62.930 1.00 28.58 ? 317 GLN E N 1
ATOM 213 C CA . GLN A 1 27 ? 17.013 7.278 62.945 1.00 28.84 ? 317 GLN E CA 1
ATOM 214 C C . GLN A 1 27 ? 18.329 7.645 63.604 1.00 24.47 ? 317 GLN E C 1
ATOM 215 O O . GLN A 1 27 ? 19.079 6.774 64.009 1.00 24.82 ? 317 GLN E O 1
ATOM 216 C CB . GLN A 1 27 ? 17.276 6.682 61.530 1.00 26.68 ? 317 GLN E CB 1
ATOM 217 C CG . GLN A 1 27 ? 18.249 7.431 60.619 1.00 16.69 ? 317 GLN E CG 1
ATOM 218 C CD . GLN A 1 27 ? 17.614 8.612 59.940 1.00 13.44 ? 317 GLN E CD 1
ATOM 219 O OE1 . GLN A 1 27 ? 18.210 9.239 59.075 1.00 15.96 ? 317 GLN E OE1 1
ATOM 220 N NE2 . GLN A 1 27 ? 16.384 8.884 60.278 1.00 14.35 ? 317 GLN E NE2 1
ATOM 221 N N . LEU A 1 28 ? 18.613 8.938 63.671 1.00 17.17 ? 318 LEU E N 1
ATOM 222 C CA . LEU A 1 28 ? 19.850 9.442 64.248 1.00 15.24 ? 318 LEU E CA 1
ATOM 223 C C . LEU A 1 28 ? 19.889 9.682 65.761 1.00 14.17 ? 318 LEU E C 1
ATOM 224 O O . LEU A 1 28 ? 20.881 10.200 66.290 1.00 12.18 ? 318 LEU E O 1
ATOM 225 C CB . LEU A 1 28 ? 20.293 10.692 63.488 1.00 18.26 ? 318 LEU E CB 1
ATOM 226 C CG . LEU A 1 28 ? 20.574 10.522 61.995 1.00 18.03 ? 318 LEU E CG 1
ATOM 227 C CD1 . LEU A 1 28 ? 21.125 11.825 61.485 1.00 16.93 ? 318 LEU E CD1 1
ATOM 228 C CD2 . LEU A 1 28 ? 21.559 9.393 61.745 1.00 7.52 ? 318 LEU E CD2 1
ATOM 229 N N . TYR A 1 29 ? 18.779 9.421 66.438 1.00 20.43 ? 319 TYR E N 1
ATOM 230 C CA . TYR A 1 29 ? 18.720 9.541 67.899 1.00 19.92 ? 319 TYR E CA 1
ATOM 231 C C . TYR A 1 29 ? 17.521 8.710 68.352 1.00 26.30 ? 319 TYR E C 1
ATOM 232 O O . TYR A 1 29 ? 16.673 8.305 67.535 1.00 23.31 ? 319 TYR E O 1
ATOM 233 C CB . TYR A 1 29 ? 18.557 10.990 68.361 1.00 14.10 ? 319 TYR E CB 1
ATOM 234 C CG . TYR A 1 29 ? 17.199 11.548 68.053 1.00 16.44 ? 319 TYR E CG 1
ATOM 235 C CD1 . TYR A 1 29 ? 16.910 12.078 66.797 1.00 16.21 ? 319 TYR E CD1 1
ATOM 236 C CD2 . TYR A 1 29 ? 16.168 11.439 68.983 1.00 19.61 ? 319 TYR E CD2 1
ATOM 237 C CE1 . TYR A 1 29 ? 15.629 12.466 66.475 1.00 19.19 ? 319 TYR E CE1 1
ATOM 238 C CE2 . TYR A 1 29 ? 14.894 11.815 68.671 1.00 14.16 ? 319 TYR E CE2 1
ATOM 239 C CZ . TYR A 1 29 ? 14.631 12.325 67.416 1.00 19.95 ? 319 TYR E CZ 1
ATOM 240 O OH . TYR A 1 29 ? 13.358 12.686 67.091 1.00 26.05 ? 319 TYR E OH 1
ATOM 241 N N . GLU A 1 30 ? 17.432 8.464 69.650 1.00 25.36 ? 320 GLU E N 1
ATOM 242 C CA . GLU A 1 30 ? 16.323 7.688 70.194 1.00 19.00 ? 320 GLU E CA 1
ATOM 243 C C . GLU A 1 30 ? 15.236 8.546 70.802 1.00 20.64 ? 320 GLU E C 1
ATOM 244 O O . GLU A 1 30 ? 14.107 8.546 70.324 1.00 27.39 ? 320 GLU E O 1
ATOM 245 C CB . GLU A 1 30 ? 16.848 6.660 71.187 1.00 24.41 ? 320 GLU E CB 1
ATOM 246 C CG . GLU A 1 30 ? 17.644 5.622 70.476 1.00 34.57 ? 320 GLU E CG 1
ATOM 247 C CD . GLU A 1 30 ? 16.802 4.925 69.411 1.00 43.48 ? 320 GLU E CD 1
ATOM 248 O OE1 . GLU A 1 30 ? 15.919 4.130 69.797 1.00 48.26 ? 320 GLU E OE1 1
ATOM 249 O OE2 . GLU A 1 30 ? 16.981 5.201 68.197 1.00 44.93 ? 320 GLU E OE2 1
ATOM 250 N N . GLN A 1 31 ? 15.585 9.285 71.856 1.00 19.21 ? 321 GLN E N 1
ATOM 251 C CA . GLN A 1 31 ? 14.636 10.139 72.542 1.00 15.88 ? 321 GLN E CA 1
ATOM 252 C C . GLN A 1 31 ? 15.118 11.565 72.738 1.00 17.59 ? 321 GLN E C 1
ATOM 253 O O . GLN A 1 31 ? 16.318 11.793 72.872 1.00 13.08 ? 321 GLN E O 1
ATOM 254 C CB . GLN A 1 31 ? 14.293 9.505 73.864 1.00 20.43 ? 321 GLN E CB 1
ATOM 255 C CG . GLN A 1 31 ? 13.838 8.109 73.660 1.00 22.99 ? 321 GLN E CG 1
ATOM 256 C CD . GLN A 1 31 ? 13.285 7.526 74.870 1.00 26.62 ? 321 GLN E CD 1
ATOM 257 O OE1 . GLN A 1 31 ? 12.094 7.251 74.928 1.00 25.83 ? 321 GLN E OE1 1
ATOM 258 N NE2 . GLN A 1 31 ? 14.133 7.320 75.878 1.00 25.65 ? 321 GLN E NE2 1
ATOM 259 N N . VAL A 1 32 ? 14.171 12.514 72.663 1.00 9.61 ? 322 VAL E N 1
ATOM 260 C CA . VAL A 1 32 ? 14.448 13.939 72.841 1.00 8.63 ? 322 VAL E CA 1
ATOM 261 C C . VAL A 1 32 ? 13.536 14.293 74.004 1.00 12.51 ? 322 VAL E C 1
ATOM 262 O O . VAL A 1 32 ? 12.387 13.880 74.032 1.00 14.11 ? 322 VAL E O 1
ATOM 263 C CB . VAL A 1 32 ? 14.029 14.855 71.652 1.00 13.58 ? 322 VAL E CB 1
ATOM 264 C CG1 . VAL A 1 32 ? 14.998 16.003 71.497 1.00 10.42 ? 322 VAL E CG1 1
ATOM 265 C CG2 . VAL A 1 32 ? 13.904 14.126 70.419 1.00 14.58 ? 322 VAL E CG2 1
ATOM 266 N N . SER A 1 33 ? 14.059 14.994 74.989 1.00 15.27 ? 323 SER E N 1
ATOM 267 C CA . SER A 1 33 ? 13.234 15.361 76.109 1.00 20.78 ? 323 SER E CA 1
ATOM 268 C C . SER A 1 33 ? 12.500 16.618 75.736 1.00 20.18 ? 323 SER E C 1
ATOM 269 O O . SER A 1 33 ? 12.706 17.160 74.668 1.00 20.65 ? 323 SER E O 1
ATOM 270 C CB . SER A 1 33 ? 14.102 15.677 77.320 1.00 19.71 ? 323 SER E CB 1
ATOM 271 O OG . SER A 1 33 ? 14.764 16.906 77.137 1.00 7.09 ? 323 SER E OG 1
ATOM 272 N N . SER A 1 34 ? 11.542 16.997 76.564 1.00 14.37 ? 324 SER E N 1
ATOM 273 C CA . SER A 1 34 ? 10.869 18.263 76.397 1.00 13.78 ? 324 SER E CA 1
ATOM 274 C C . SER A 1 34 ? 11.894 19.277 77.002 1.00 11.75 ? 324 SER E C 1
ATOM 275 O O . SER A 1 34 ? 12.972 18.899 77.472 1.00 8.25 ? 324 SER E O 1
ATOM 276 C CB . SER A 1 34 ? 9.558 18.244 77.180 1.00 18.70 ? 324 SER E CB 1
ATOM 277 O OG . SER A 1 34 ? 9.773 17.746 78.504 1.00 17.87 ? 324 SER E OG 1
ATOM 278 N N . THR A 1 35 ? 11.629 20.558 76.835 1.00 14.74 ? 325 THR E N 1
ATOM 279 C CA . THR A 1 35 ? 12.507 21.589 77.362 1.00 18.09 ? 325 THR E CA 1
ATOM 280 C C . THR A 1 35 ? 12.457 21.678 78.891 1.00 17.38 ? 325 THR E C 1
ATOM 281 O O . THR A 1 35 ? 11.403 21.552 79.536 1.00 26.25 ? 325 THR E O 1
ATOM 282 C CB . THR A 1 35 ? 12.250 22.970 76.713 1.00 22.83 ? 325 THR E CB 1
ATOM 283 O OG1 . THR A 1 35 ? 12.304 22.852 75.283 1.00 29.06 ? 325 THR E OG1 1
ATOM 284 C CG2 . THR A 1 35 ? 13.334 23.907 77.103 1.00 26.01 ? 325 THR E CG2 1
ATOM 285 N N . TRP A 1 36 ? 13.635 21.829 79.469 1.00 18.98 ? 326 TRP E N 1
ATOM 286 C CA . TRP A 1 36 ? 13.789 21.914 80.899 1.00 16.97 ? 326 TRP E CA 1
ATOM 287 C C . TRP A 1 36 ? 14.843 22.946 81.214 1.00 15.93 ? 326 TRP E C 1
ATOM 288 O O . TRP A 1 36 ? 15.560 23.415 80.324 1.00 7.81 ? 326 TRP E O 1
ATOM 289 C CB . TRP A 1 36 ? 14.088 20.527 81.514 1.00 12.35 ? 326 TRP E CB 1
ATOM 290 C CG . TRP A 1 36 ? 15.324 19.768 81.031 1.00 9.48 ? 326 TRP E CG 1
ATOM 291 C CD1 . TRP A 1 36 ? 15.388 18.853 80.025 1.00 9.04 ? 326 TRP E CD1 1
ATOM 292 C CD2 . TRP A 1 36 ? 16.634 19.822 81.602 1.00 7.60 ? 326 TRP E CD2 1
ATOM 293 N NE1 . TRP A 1 36 ? 16.660 18.327 79.935 1.00 3.80 ? 326 TRP E NE1 1
ATOM 294 C CE2 . TRP A 1 36 ? 17.433 18.893 80.903 1.00 8.52 ? 326 TRP E CE2 1
ATOM 295 C CE3 . TRP A 1 36 ? 17.198 20.554 82.632 1.00 5.29 ? 326 TRP E CE3 1
ATOM 296 C CZ2 . TRP A 1 36 ? 18.766 18.679 81.208 1.00 10.36 ? 326 TRP E CZ2 1
ATOM 297 C CZ3 . TRP A 1 36 ? 18.506 20.349 82.937 1.00 7.65 ? 326 TRP E CZ3 1
ATOM 298 C CH2 . TRP A 1 36 ? 19.293 19.410 82.229 1.00 9.42 ? 326 TRP E CH2 1
ATOM 299 N N . HIS A 1 37 ? 14.909 23.358 82.460 1.00 16.01 ? 327 HIS E N 1
ATOM 300 C CA . HIS A 1 37 ? 15.883 24.360 82.813 1.00 15.06 ? 327 HIS E CA 1
ATOM 301 C C . HIS A 1 37 ? 16.297 24.069 84.251 1.00 17.49 ? 327 HIS E C 1
ATOM 302 O O . HIS A 1 37 ? 15.634 23.291 84.932 1.00 12.16 ? 327 HIS E O 1
ATOM 303 C CB . HIS A 1 37 ? 15.224 25.742 82.694 1.00 14.72 ? 327 HIS E CB 1
ATOM 304 C CG . HIS A 1 37 ? 14.166 25.992 83.723 1.00 17.47 ? 327 HIS E CG 1
ATOM 305 N ND1 . HIS A 1 37 ? 12.824 25.795 83.478 1.00 20.39 ? 327 HIS E ND1 1
ATOM 306 C CD2 . HIS A 1 37 ? 14.258 26.361 85.027 1.00 21.31 ? 327 HIS E CD2 1
ATOM 307 C CE1 . HIS A 1 37 ? 12.135 26.020 84.587 1.00 21.38 ? 327 HIS E CE1 1
ATOM 308 N NE2 . HIS A 1 37 ? 12.983 26.364 85.542 1.00 17.75 ? 327 HIS E NE2 1
ATOM 309 N N . TRP A 1 38 ? 17.376 24.694 84.708 1.00 17.80 ? 328 TRP E N 1
ATOM 310 C CA . TRP A 1 38 ? 17.812 24.510 86.074 1.00 22.83 ? 328 TRP E CA 1
ATOM 311 C C . TRP A 1 38 ? 16.947 25.386 86.936 1.00 21.94 ? 328 TRP E C 1
ATOM 312 O O . TRP A 1 38 ? 16.749 26.565 86.647 1.00 24.40 ? 328 TRP E O 1
ATOM 313 C CB . TRP A 1 38 ? 19.260 24.949 86.276 1.00 5.38 ? 328 TRP E CB 1
ATOM 314 C CG . TRP A 1 38 ? 20.246 24.073 85.544 1.00 12.44 ? 328 TRP E CG 1
ATOM 315 C CD1 . TRP A 1 38 ? 21.099 24.481 84.578 1.00 5.41 ? 328 TRP E CD1 1
ATOM 316 C CD2 . TRP A 1 38 ? 20.396 22.628 85.639 1.00 14.37 ? 328 TRP E CD2 1
ATOM 317 N NE1 . TRP A 1 38 ? 21.768 23.401 84.046 1.00 12.75 ? 328 TRP E NE1 1
ATOM 318 C CE2 . TRP A 1 38 ? 21.368 22.252 84.677 1.00 9.98 ? 328 TRP E CE2 1
ATOM 319 C CE3 . TRP A 1 38 ? 19.800 21.625 86.431 1.00 12.78 ? 328 TRP E CE3 1
ATOM 320 C CZ2 . TRP A 1 38 ? 21.777 20.902 84.475 1.00 9.47 ? 328 TRP E CZ2 1
ATOM 321 C CZ3 . TRP A 1 38 ? 20.203 20.269 86.228 1.00 14.00 ? 328 TRP E CZ3 1
ATOM 322 C CH2 . TRP A 1 38 ? 21.191 19.933 85.248 1.00 9.81 ? 328 TRP E CH2 1
ATOM 323 N N . THR A 1 39 ? 16.503 24.833 88.042 1.00 25.18 ? 329 THR E N 1
ATOM 324 C CA . THR A 1 39 ? 15.682 25.524 89.007 1.00 24.51 ? 329 THR E CA 1
ATOM 325 C C . THR A 1 39 ? 16.376 26.794 89.540 1.00 33.09 ? 329 THR E C 1
ATOM 326 O O . THR A 1 39 ? 15.724 27.797 89.836 1.00 37.00 ? 329 THR E O 1
ATOM 327 C CB . THR A 1 39 ? 15.334 24.518 90.099 1.00 16.44 ? 329 THR E CB 1
ATOM 328 O OG1 . THR A 1 39 ? 14.200 23.756 89.677 1.00 25.10 ? 329 THR E OG1 1
ATOM 329 C CG2 . THR A 1 39 ? 15.084 25.142 91.384 1.00 34.15 ? 329 THR E CG2 1
ATOM 330 N N . CYS A 1 40 ? 17.690 26.796 89.649 1.00 40.38 ? 330 CYS E N 1
ATOM 331 C CA . CYS A 1 40 ? 18.326 28.013 90.128 1.00 53.07 ? 330 CYS E CA 1
ATOM 332 C C . CYS A 1 40 ? 18.179 29.186 89.138 1.00 60.49 ? 330 CYS E C 1
ATOM 333 O O . CYS A 1 40 ? 18.218 30.358 89.519 1.00 60.97 ? 330 CYS E O 1
ATOM 334 C CB . CYS A 1 40 ? 19.799 27.759 90.419 1.00 57.21 ? 330 CYS E CB 1
ATOM 335 S SG . CYS A 1 40 ? 20.791 27.509 88.965 1.00 59.77 ? 330 CYS E SG 1
ATOM 336 N N . THR A 1 41 ? 17.962 28.856 87.871 1.00 67.80 ? 331 THR E N 1
ATOM 337 C CA . THR A 1 41 ? 17.884 29.855 86.818 1.00 74.24 ? 331 THR E CA 1
ATOM 338 C C . THR A 1 41 ? 16.534 30.474 86.476 1.00 80.09 ? 331 THR E C 1
ATOM 339 O O . THR A 1 41 ? 15.558 29.787 86.131 1.00 75.69 ? 331 THR E O 1
ATOM 340 C CB . THR A 1 41 ? 18.491 29.316 85.502 1.00 73.99 ? 331 THR E CB 1
ATOM 341 O OG1 . THR A 1 41 ? 17.742 28.177 85.062 1.00 72.44 ? 331 THR E OG1 1
ATOM 342 C CG2 . THR A 1 41 ? 19.956 28.903 85.705 1.00 76.70 ? 331 THR E CG2 1
ATOM 343 N N . ASP A 1 42 ? 16.529 31.803 86.535 1.00 88.01 ? 332 ASP E N 1
ATOM 344 C CA . ASP A 1 42 ? 15.371 32.623 86.201 1.00 92.90 ? 332 ASP E CA 1
ATOM 345 C C . ASP A 1 42 ? 15.579 33.012 84.742 1.00 94.26 ? 332 ASP E C 1
ATOM 346 O O . ASP A 1 42 ? 14.640 33.438 84.064 1.00 97.05 ? 332 ASP E O 1
ATOM 347 C CB . ASP A 1 42 ? 15.338 33.884 87.089 1.00 96.72 ? 332 ASP E CB 1
ATOM 348 C CG . ASP A 1 42 ? 13.983 34.597 87.072 1.00 98.15 ? 332 ASP E CG 1
ATOM 349 O OD1 . ASP A 1 42 ? 13.060 34.136 86.361 1.00 100.00 ? 332 ASP E OD1 1
ATOM 350 O OD2 . ASP A 1 42 ? 13.837 35.614 87.787 1.00 95.36 ? 332 ASP E OD2 1
ATOM 351 N N . GLY A 1 43 ? 16.825 32.865 84.284 1.00 92.90 ? 333 GLY E N 1
ATOM 352 C CA . GLY A 1 43 ? 17.199 33.188 82.919 1.00 93.85 ? 333 GLY E CA 1
ATOM 353 C C . GLY A 1 43 ? 16.234 32.563 81.935 1.00 96.50 ? 333 GLY E C 1
ATOM 354 O O . GLY A 1 43 ? 16.410 31.422 81.486 1.00 96.60 ? 333 GLY E O 1
ATOM 355 N N . LYS A 1 44 ? 15.184 33.318 81.630 1.00 97.19 ? 334 LYS E N 1
ATOM 356 C CA . LYS A 1 44 ? 14.147 32.876 80.723 1.00 89.25 ? 334 LYS E CA 1
ATOM 357 C C . LYS A 1 44 ? 14.709 32.580 79.341 1.00 83.86 ? 334 LYS E C 1
ATOM 358 O O . LYS A 1 44 ? 15.627 33.250 78.854 1.00 84.13 ? 334 LYS E O 1
ATOM 359 C CB . LYS A 1 44 ? 13.035 33.932 80.633 1.00 89.74 ? 334 LYS E CB 1
ATOM 360 C CG . LYS A 1 44 ? 11.619 33.367 80.695 1.00 89.06 ? 334 LYS E CG 1
ATOM 361 C CD . LYS A 1 44 ? 11.344 32.416 79.538 1.00 93.64 ? 334 LYS E CD 1
ATOM 362 C CE . LYS A 1 44 ? 10.025 31.675 79.716 1.00 98.87 ? 334 LYS E CE 1
ATOM 363 N NZ . LYS A 1 44 ? 9.890 30.526 78.768 1.00 97.98 ? 334 LYS E NZ 1
ATOM 364 N N . HIS A 1 45 ? 14.212 31.491 78.774 1.00 78.11 ? 335 HIS E N 1
ATOM 365 C CA . HIS A 1 45 ? 14.571 31.047 77.437 1.00 69.69 ? 335 HIS E CA 1
ATOM 366 C C . HIS A 1 45 ? 15.973 30.571 77.094 1.00 69.11 ? 335 HIS E C 1
ATOM 367 O O . HIS A 1 45 ? 16.092 29.449 76.611 1.00 78.38 ? 335 HIS E O 1
ATOM 368 C CB . HIS A 1 45 ? 14.112 32.070 76.411 1.00 68.79 ? 335 HIS E CB 1
ATOM 369 C CG . HIS A 1 45 ? 12.765 31.776 75.845 1.00 62.27 ? 335 HIS E CG 1
ATOM 370 N ND1 . HIS A 1 45 ? 12.473 31.913 74.506 1.00 57.30 ? 335 HIS E ND1 1
ATOM 371 C CD2 . HIS A 1 45 ? 11.643 31.298 76.430 1.00 58.86 ? 335 HIS E CD2 1
ATOM 372 C CE1 . HIS A 1 45 ? 11.231 31.525 74.288 1.00 65.35 ? 335 HIS E CE1 1
ATOM 373 N NE2 . HIS A 1 45 ? 10.705 31.146 75.438 1.00 68.34 ? 335 HIS E NE2 1
ATOM 374 N N . LYS A 1 46 ? 17.028 31.366 77.316 1.00 65.56 ? 336 LYS E N 1
ATOM 375 C CA . LYS A 1 46 ? 18.371 30.893 76.925 1.00 60.14 ? 336 LYS E CA 1
ATOM 376 C C . LYS A 1 46 ? 19.042 29.895 77.890 1.00 54.72 ? 336 LYS E C 1
ATOM 377 O O . LYS A 1 46 ? 20.158 29.409 77.662 1.00 49.55 ? 336 LYS E O 1
ATOM 378 C CB . LYS A 1 46 ? 19.291 32.042 76.482 1.00 70.03 ? 336 LYS E CB 1
ATOM 379 C CG . LYS A 1 46 ? 20.467 31.544 75.631 1.00 81.48 ? 336 LYS E CG 1
ATOM 380 C CD . LYS A 1 46 ? 21.306 32.650 74.975 1.00 86.10 ? 336 LYS E CD 1
ATOM 381 C CE . LYS A 1 46 ? 22.294 32.036 73.955 1.00 89.72 ? 336 LYS E CE 1
ATOM 382 N NZ . LYS A 1 46 ? 22.961 33.009 73.023 1.00 90.24 ? 336 LYS E NZ 1
ATOM 383 N N . ASN A 1 47 ? 18.356 29.650 79.001 1.00 50.45 ? 337 ASN E N 1
ATOM 384 C CA . ASN A 1 47 ? 18.783 28.692 80.014 1.00 49.06 ? 337 ASN E CA 1
ATOM 385 C C . ASN A 1 47 ? 17.889 27.467 79.904 1.00 41.35 ? 337 ASN E C 1
ATOM 386 O O . ASN A 1 47 ? 17.589 26.804 80.908 1.00 51.97 ? 337 ASN E O 1
ATOM 387 C CB . ASN A 1 47 ? 18.701 29.270 81.434 1.00 58.54 ? 337 ASN E CB 1
ATOM 388 C CG . ASN A 1 47 ? 19.846 30.203 81.754 1.00 64.24 ? 337 ASN E CG 1
ATOM 389 O OD1 . ASN A 1 47 ? 19.671 31.418 81.804 1.00 77.00 ? 337 ASN E OD1 1
ATOM 390 N ND2 . ASN A 1 47 ? 21.024 29.639 82.007 1.00 64.86 ? 337 ASN E ND2 1
ATOM 391 N N . ALA A 1 48 ? 17.418 27.211 78.686 1.00 24.93 ? 338 ALA E N 1
ATOM 392 C CA . ALA A 1 48 ? 16.559 26.067 78.420 1.00 15.04 ? 338 ALA E CA 1
ATOM 393 C C . ALA A 1 48 ? 17.478 24.946 77.895 1.00 19.51 ? 338 ALA E C 1
ATOM 394 O O . ALA A 1 48 ? 18.544 25.228 77.314 1.00 14.52 ? 338 ALA E O 1
ATOM 395 C CB . ALA A 1 48 ? 15.486 26.452 77.420 1.00 11.15 ? 338 ALA E CB 1
ATOM 396 N N . ILE A 1 49 ? 17.187 23.707 78.290 1.00 14.99 ? 339 ILE E N 1
ATOM 397 C CA . ILE A 1 49 ? 17.972 22.572 77.863 1.00 14.79 ? 339 ILE E CA 1
ATOM 398 C C . ILE A 1 49 ? 17.079 21.437 77.377 1.00 13.50 ? 339 ILE E C 1
ATOM 399 O O . ILE A 1 49 ? 15.927 21.323 77.756 1.00 18.81 ? 339 ILE E O 1
ATOM 400 C CB . ILE A 1 49 ? 18.840 22.017 78.993 1.00 18.78 ? 339 ILE E CB 1
ATOM 401 C CG1 . ILE A 1 49 ? 19.725 23.102 79.579 1.00 13.01 ? 339 ILE E CG1 1
ATOM 402 C CG2 . ILE A 1 49 ? 19.740 20.895 78.452 1.00 16.50 ? 339 ILE E CG2 1
ATOM 403 C CD1 . ILE A 1 49 ? 20.430 22.644 80.834 1.00 19.30 ? 339 ILE E CD1 1
ATOM 404 N N . VAL A 1 50 ? 17.645 20.595 76.531 1.00 6.91 ? 340 VAL E N 1
ATOM 405 C CA . VAL A 1 50 ? 16.965 19.465 75.947 1.00 7.88 ? 340 VAL E CA 1
ATOM 406 C C . VAL A 1 50 ? 18.029 18.363 75.971 1.00 6.96 ? 340 VAL E C 1
ATOM 407 O O . VAL A 1 50 ? 19.219 18.619 75.793 1.00 8.36 ? 340 VAL E O 1
ATOM 408 C CB . VAL A 1 50 ? 16.494 19.881 74.509 1.00 17.82 ? 340 VAL E CB 1
ATOM 409 C CG1 . VAL A 1 50 ? 16.196 18.693 73.616 1.00 23.75 ? 340 VAL E CG1 1
ATOM 410 C CG2 . VAL A 1 50 ? 15.268 20.759 74.614 1.00 19.25 ? 340 VAL E CG2 1
ATOM 411 N N . THR A 1 51 ? 17.590 17.172 76.354 1.00 18.78 ? 341 THR E N 1
ATOM 412 C CA . THR A 1 51 ? 18.436 15.992 76.459 1.00 20.89 ? 341 THR E CA 1
ATOM 413 C C . THR A 1 51 ? 18.002 15.036 75.374 1.00 16.18 ? 341 THR E C 1
ATOM 414 O O . THR A 1 51 ? 16.823 14.951 75.095 1.00 10.58 ? 341 THR E O 1
ATOM 415 C CB . THR A 1 51 ? 18.200 15.307 77.828 1.00 16.74 ? 341 THR E CB 1
ATOM 416 O OG1 . THR A 1 51 ? 18.490 16.239 78.880 1.00 12.59 ? 341 THR E OG1 1
ATOM 417 C CG2 . THR A 1 51 ? 19.060 14.063 78.003 1.00 7.38 ? 341 THR E CG2 1
ATOM 418 N N . LEU A 1 52 ? 18.955 14.384 74.718 1.00 6.48 ? 342 LEU E N 1
ATOM 419 C CA . LEU A 1 52 ? 18.656 13.397 73.666 1.00 6.44 ? 342 LEU E CA 1
ATOM 420 C C . LEU A 1 52 ? 19.459 12.200 74.077 1.00 8.47 ? 342 LEU E C 1
ATOM 421 O O . LEU A 1 52 ? 20.517 12.374 74.671 1.00 9.98 ? 342 LEU E O 1
ATOM 422 C CB . LEU A 1 52 ? 19.185 13.804 72.287 1.00 9.78 ? 342 LEU E CB 1
ATOM 423 C CG . LEU A 1 52 ? 18.830 14.934 71.312 1.00 12.58 ? 342 LEU E CG 1
ATOM 424 C CD1 . LEU A 1 52 ? 17.697 14.567 70.406 1.00 5.54 ? 342 LEU E CD1 1
ATOM 425 C CD2 . LEU A 1 52 ? 18.588 16.201 72.056 1.00 19.38 ? 342 LEU E CD2 1
ATOM 426 N N . THR A 1 53 ? 19.019 10.998 73.726 1.00 13.65 ? 343 THR E N 1
ATOM 427 C CA . THR A 1 53 ? 19.772 9.789 74.053 1.00 12.67 ? 343 THR E CA 1
ATOM 428 C C . THR A 1 53 ? 20.060 9.092 72.743 1.00 12.64 ? 343 THR E C 1
ATOM 429 O O . THR A 1 53 ? 19.425 9.407 71.725 1.00 19.46 ? 343 THR E O 1
ATOM 430 C CB . THR A 1 53 ? 19.003 8.835 74.979 1.00 18.71 ? 343 THR E CB 1
ATOM 431 O OG1 . THR A 1 53 ? 17.843 8.339 74.310 1.00 18.81 ? 343 THR E OG1 1
ATOM 432 C CG2 . THR A 1 53 ? 18.605 9.531 76.292 1.00 9.58 ? 343 THR E CG2 1
ATOM 433 N N . TYR A 1 54 ? 21.037 8.186 72.729 1.00 13.08 ? 344 TYR E N 1
ATOM 434 C CA . TYR A 1 54 ? 21.410 7.475 71.504 1.00 15.09 ? 344 TYR E CA 1
ATOM 435 C C . TYR A 1 54 ? 21.634 6.004 71.696 1.00 15.44 ? 344 TYR E C 1
ATOM 436 O O . TYR A 1 54 ? 21.946 5.539 72.809 1.00 17.00 ? 344 TYR E O 1
ATOM 437 C CB . TYR A 1 54 ? 22.686 8.073 70.953 1.00 7.25 ? 344 TYR E CB 1
ATOM 438 C CG . TYR A 1 54 ? 22.501 9.529 70.696 1.00 13.49 ? 344 TYR E CG 1
ATOM 439 C CD1 . TYR A 1 54 ? 22.731 10.454 71.703 1.00 10.27 ? 344 TYR E CD1 1
ATOM 440 C CD2 . TYR A 1 54 ? 22.042 9.979 69.476 1.00 14.04 ? 344 TYR E CD2 1
ATOM 441 C CE1 . TYR A 1 54 ? 22.500 11.795 71.509 1.00 8.28 ? 344 TYR E CE1 1
ATOM 442 C CE2 . TYR A 1 54 ? 21.804 11.313 69.269 1.00 17.44 ? 344 TYR E CE2 1
ATOM 443 C CZ . TYR A 1 54 ? 22.023 12.217 70.278 1.00 15.17 ? 344 TYR E CZ 1
ATOM 444 O OH . TYR A 1 54 ? 21.697 13.546 70.059 1.00 14.26 ? 344 TYR E OH 1
ATOM 445 N N . ILE A 1 55 ? 21.513 5.262 70.612 1.00 13.74 ? 345 ILE E N 1
ATOM 446 C CA . ILE A 1 55 ? 21.737 3.831 70.679 1.00 17.35 ? 345 ILE E CA 1
ATOM 447 C C . ILE A 1 55 ? 23.223 3.589 70.944 1.00 16.52 ? 345 ILE E C 1
ATOM 448 O O . ILE A 1 55 ? 23.624 2.648 71.635 1.00 22.86 ? 345 ILE E O 1
ATOM 449 C CB . ILE A 1 55 ? 21.352 3.126 69.350 1.00 15.47 ? 345 ILE E CB 1
ATOM 450 C CG1 . ILE A 1 55 ? 19.874 3.360 69.023 1.00 15.50 ? 345 ILE E CG1 1
ATOM 451 C CG2 . ILE A 1 55 ? 21.485 1.646 69.519 1.00 13.66 ? 345 ILE E CG2 1
ATOM 452 C CD1 . ILE A 1 55 ? 19.452 2.883 67.636 1.00 10.21 ? 345 ILE E CD1 1
ATOM 453 N N . SER A 1 56 ? 24.051 4.437 70.363 1.00 15.75 ? 346 SER E N 1
ATOM 454 C CA . SER A 1 56 ? 25.476 4.253 70.490 1.00 10.72 ? 346 SER E CA 1
ATOM 455 C C . SER A 1 56 ? 26.203 5.533 70.201 1.00 9.61 ? 346 SER E C 1
ATOM 456 O O . SER A 1 56 ? 25.604 6.516 69.789 1.00 21.56 ? 346 SER E O 1
ATOM 457 C CB . SER A 1 56 ? 25.899 3.222 69.439 1.00 19.13 ? 346 SER E CB 1
ATOM 458 O OG . SER A 1 56 ? 25.717 3.723 68.112 1.00 19.76 ? 346 SER E OG 1
ATOM 459 N N . THR A 1 57 ? 27.500 5.527 70.482 1.00 15.44 ? 347 THR E N 1
ATOM 460 C CA . THR A 1 57 ? 28.380 6.646 70.179 1.00 12.34 ? 347 THR E CA 1
ATOM 461 C C . THR A 1 57 ? 28.407 6.825 68.680 1.00 13.43 ? 347 THR E C 1
ATOM 462 O O . THR A 1 57 ? 28.430 7.949 68.194 1.00 24.71 ? 347 THR E O 1
ATOM 463 C CB . THR A 1 57 ? 29.766 6.391 70.673 1.00 13.29 ? 347 THR E CB 1
ATOM 464 O OG1 . THR A 1 57 ? 29.699 6.205 72.080 1.00 17.87 ? 347 THR E OG1 1
ATOM 465 C CG2 . THR A 1 57 ? 30.637 7.579 70.402 1.00 24.22 ? 347 THR E CG2 1
ATOM 466 N N . SER A 1 58 ? 28.374 5.734 67.927 1.00 14.68 ? 348 SER E N 1
ATOM 467 C CA . SER A 1 58 ? 28.379 5.877 66.470 1.00 21.91 ? 348 SER E CA 1
ATOM 468 C C . SER A 1 58 ? 27.159 6.697 66.012 1.00 25.66 ? 348 SER E C 1
ATOM 469 O O . SER A 1 58 ? 27.286 7.596 65.165 1.00 29.06 ? 348 SER E O 1
ATOM 470 C CB . SER A 1 58 ? 28.338 4.515 65.790 1.00 29.74 ? 348 SER E CB 1
ATOM 471 O OG . SER A 1 58 ? 28.346 4.679 64.379 1.00 40.66 ? 348 SER E OG 1
ATOM 472 N N . GLN A 1 59 ? 25.978 6.359 66.539 1.00 26.72 ? 349 GLN E N 1
ATOM 473 C CA . GLN A 1 59 ? 24.774 7.106 66.223 1.00 21.09 ? 349 GLN E CA 1
ATOM 474 C C . GLN A 1 59 ? 24.927 8.558 66.659 1.00 22.83 ? 349 GLN E C 1
ATOM 475 O O . GLN A 1 59 ? 24.569 9.488 65.914 1.00 20.44 ? 349 GLN E O 1
ATOM 476 C CB . GLN A 1 59 ? 23.549 6.506 66.878 1.00 14.63 ? 349 GLN E CB 1
ATOM 477 C CG . GLN A 1 59 ? 22.298 7.137 66.355 1.00 19.48 ? 349 GLN E CG 1
ATOM 478 C CD . GLN A 1 59 ? 21.062 6.670 67.054 1.00 15.60 ? 349 GLN E CD 1
ATOM 479 O OE1 . GLN A 1 59 ? 21.001 6.669 68.278 1.00 19.09 ? 349 GLN E OE1 1
ATOM 480 N NE2 . GLN A 1 59 ? 20.065 6.267 66.290 1.00 17.14 ? 349 GLN E NE2 1
ATOM 481 N N . ARG A 1 60 ? 25.496 8.779 67.842 1.00 16.35 ? 350 ARG E N 1
ATOM 482 C CA . ARG A 1 60 ? 25.694 10.165 68.273 1.00 17.31 ? 350 ARG E CA 1
ATOM 483 C C . ARG A 1 60 ? 26.584 10.947 67.312 1.00 16.40 ? 350 ARG E C 1
ATOM 484 O O . ARG A 1 60 ? 26.370 12.133 67.128 1.00 24.46 ? 350 ARG E O 1
ATOM 485 C CB . ARG A 1 60 ? 26.226 10.245 69.689 1.00 22.37 ? 350 ARG E CB 1
ATOM 486 C CG . ARG A 1 60 ? 26.235 11.655 70.221 1.00 31.64 ? 350 ARG E CG 1
ATOM 487 C CD . ARG A 1 60 ? 26.545 11.683 71.700 1.00 34.62 ? 350 ARG E CD 1
ATOM 488 N NE . ARG A 1 60 ? 27.920 11.298 71.952 1.00 39.47 ? 350 ARG E NE 1
ATOM 489 C CZ . ARG A 1 60 ? 28.457 11.173 73.163 1.00 44.44 ? 350 ARG E CZ 1
ATOM 490 N NH1 . ARG A 1 60 ? 27.736 11.402 74.264 1.00 39.58 ? 350 ARG E NH1 1
ATOM 491 N NH2 . ARG A 1 60 ? 29.721 10.778 73.277 1.00 47.33 ? 350 ARG E NH2 1
ATOM 492 N N . ASP A 1 61 ? 27.641 10.297 66.798 1.00 23.37 ? 351 ASP E N 1
ATOM 493 C CA . ASP A 1 61 ? 28.581 10.905 65.841 1.00 20.60 ? 351 ASP E CA 1
ATOM 494 C C . ASP A 1 61 ? 27.863 11.305 64.561 1.00 20.38 ? 351 ASP E C 1
ATOM 495 O O . ASP A 1 61 ? 27.991 12.426 64.096 1.00 20.93 ? 351 ASP E O 1
ATOM 496 C CB . ASP A 1 61 ? 29.717 9.924 65.474 1.00 23.58 ? 351 ASP E CB 1
ATOM 497 C CG . ASP A 1 61 ? 30.715 9.683 66.614 1.00 25.18 ? 351 ASP E CG 1
ATOM 498 O OD1 . ASP A 1 61 ? 31.076 10.629 67.333 1.00 29.90 ? 351 ASP E OD1 1
ATOM 499 O OD2 . ASP A 1 61 ? 31.191 8.547 66.763 1.00 30.14 ? 351 ASP E OD2 1
ATOM 500 N N . ASP A 1 62 ? 27.079 10.370 64.029 1.00 19.51 ? 352 ASP E N 1
ATOM 501 C CA . ASP A 1 62 ? 26.288 10.573 62.817 1.00 16.86 ? 352 ASP E CA 1
ATOM 502 C C . ASP A 1 62 ? 25.304 11.698 63.008 1.00 21.41 ? 352 ASP E C 1
ATOM 503 O O . ASP A 1 62 ? 25.039 12.452 62.076 1.00 24.57 ? 352 ASP E O 1
ATOM 504 C CB . ASP A 1 62 ? 25.516 9.305 62.474 1.00 17.96 ? 352 ASP E CB 1
ATOM 505 C CG . ASP A 1 62 ? 26.425 8.145 62.111 1.00 24.09 ? 352 ASP E CG 1
ATOM 506 O OD1 . ASP A 1 62 ? 27.645 8.348 61.923 1.00 28.08 ? 352 ASP E OD1 1
ATOM 507 O OD2 . ASP A 1 62 ? 25.914 7.017 62.003 1.00 23.88 ? 352 ASP E OD2 1
ATOM 508 N N . PHE A 1 63 ? 24.699 11.764 64.201 1.00 22.38 ? 353 PHE E N 1
ATOM 509 C CA . PHE A 1 63 ? 23.764 12.832 64.531 1.00 15.78 ? 353 PHE E CA 1
ATOM 510 C C . PHE A 1 63 ? 24.496 14.175 64.488 1.00 17.22 ? 353 PHE E C 1
ATOM 511 O O . PHE A 1 63 ? 24.144 15.038 63.698 1.00 14.33 ? 353 PHE E O 1
ATOM 512 C CB . PHE A 1 63 ? 23.132 12.575 65.913 1.00 7.43 ? 353 PHE E CB 1
ATOM 513 C CG . PHE A 1 63 ? 22.199 13.704 66.398 1.00 13.96 ? 353 PHE E CG 1
ATOM 514 C CD1 . PHE A 1 63 ? 20.849 13.735 66.029 1.00 5.64 ? 353 PHE E CD1 1
ATOM 515 C CD2 . PHE A 1 63 ? 22.688 14.732 67.247 1.00 16.58 ? 353 PHE E CD2 1
ATOM 516 C CE1 . PHE A 1 63 ? 20.013 14.745 66.479 1.00 9.43 ? 353 PHE E CE1 1
ATOM 517 C CE2 . PHE A 1 63 ? 21.846 15.769 67.714 1.00 10.43 ? 353 PHE E CE2 1
ATOM 518 C CZ . PHE A 1 63 ? 20.507 15.773 67.327 1.00 8.79 ? 353 PHE E CZ 1
ATOM 519 N N . LEU A 1 64 ? 25.605 14.309 65.203 1.00 26.27 ? 354 LEU E N 1
ATOM 520 C CA . LEU A 1 64 ? 26.307 15.585 65.210 1.00 25.66 ? 354 LEU E CA 1
ATOM 521 C C . LEU A 1 64 ? 26.785 16.022 63.857 1.00 30.18 ? 354 LEU E C 1
ATOM 522 O O . LEU A 1 64 ? 26.718 17.195 63.538 1.00 38.13 ? 354 LEU E O 1
ATOM 523 C CB . LEU A 1 64 ? 27.462 15.592 66.220 1.00 23.08 ? 354 LEU E CB 1
ATOM 524 C CG . LEU A 1 64 ? 27.001 15.558 67.678 1.00 27.68 ? 354 LEU E CG 1
ATOM 525 C CD1 . LEU A 1 64 ? 28.178 15.540 68.618 1.00 20.41 ? 354 LEU E CD1 1
ATOM 526 C CD2 . LEU A 1 64 ? 26.080 16.753 67.934 1.00 24.95 ? 354 LEU E CD2 1
ATOM 527 N N . ASN A 1 65 ? 27.275 15.075 63.068 1.00 32.69 ? 355 ASN E N 1
ATOM 528 C CA . ASN A 1 65 ? 27.791 15.330 61.719 1.00 28.95 ? 355 ASN E CA 1
ATOM 529 C C . ASN A 1 65 ? 26.749 15.683 60.673 1.00 28.17 ? 355 ASN E C 1
ATOM 530 O O . ASN A 1 65 ? 27.072 16.324 59.681 1.00 33.23 ? 355 ASN E O 1
ATOM 531 C CB . ASN A 1 65 ? 28.615 14.142 61.213 1.00 27.82 ? 355 ASN E CB 1
ATOM 532 C CG . ASN A 1 65 ? 29.847 13.875 62.064 1.00 34.26 ? 355 ASN E CG 1
ATOM 533 O OD1 . ASN A 1 65 ? 30.308 14.729 62.823 1.00 40.24 ? 355 ASN E OD1 1
ATOM 534 N ND2 . ASN A 1 65 ? 30.401 12.693 61.921 1.00 41.64 ? 355 ASN E ND2 1
ATOM 535 N N . THR A 1 66 ? 25.522 15.207 60.875 1.00 24.80 ? 356 THR E N 1
ATOM 536 C CA . THR A 1 66 ? 24.407 15.418 59.958 1.00 23.06 ? 356 THR E CA 1
ATOM 537 C C . THR A 1 66 ? 23.400 16.507 60.300 1.00 23.91 ? 356 THR E C 1
ATOM 538 O O . THR A 1 66 ? 22.970 17.256 59.445 1.00 35.35 ? 356 THR E O 1
ATOM 539 C CB . THR A 1 66 ? 23.598 14.133 59.879 1.00 27.12 ? 356 THR E CB 1
ATOM 540 O OG1 . THR A 1 66 ? 24.484 13.042 59.623 1.00 37.18 ? 356 THR E OG1 1
ATOM 541 C CG2 . THR A 1 66 ? 22.551 14.216 58.806 1.00 28.22 ? 356 THR E CG2 1
ATOM 542 N N . VAL A 1 67 ? 22.977 16.565 61.545 1.00 25.19 ? 357 VAL E N 1
ATOM 543 C CA . VAL A 1 67 ? 21.982 17.533 61.911 1.00 24.80 ? 357 VAL E CA 1
ATOM 544 C C . VAL A 1 67 ? 22.602 18.925 62.061 1.00 32.26 ? 357 VAL E C 1
ATOM 545 O O . VAL A 1 67 ? 23.698 19.066 62.595 1.00 28.57 ? 357 VAL E O 1
ATOM 546 C CB . VAL A 1 67 ? 21.302 17.066 63.205 1.00 26.15 ? 357 VAL E CB 1
ATOM 547 C CG1 . VAL A 1 67 ? 20.170 17.995 63.591 1.00 29.70 ? 357 VAL E CG1 1
ATOM 548 C CG2 . VAL A 1 67 ? 20.772 15.658 63.016 1.00 25.83 ? 357 VAL E CG2 1
ATOM 549 N N . VAL A 1 68 ? 21.900 19.955 61.597 1.00 39.42 ? 358 VAL E N 1
ATOM 550 C CA . VAL A 1 68 ? 22.403 21.326 61.703 1.00 35.14 ? 358 VAL E CA 1
ATOM 551 C C . VAL A 1 68 ? 21.984 21.877 63.060 1.00 32.25 ? 358 VAL E C 1
ATOM 552 O O . VAL A 1 68 ? 20.798 22.115 63.308 1.00 29.83 ? 358 VAL E O 1
ATOM 553 C CB . VAL A 1 68 ? 21.788 22.280 60.623 1.00 39.57 ? 358 VAL E CB 1
ATOM 554 C CG1 . VAL A 1 68 ? 22.547 23.613 60.581 1.00 39.67 ? 358 VAL E CG1 1
ATOM 555 C CG2 . VAL A 1 68 ? 21.757 21.617 59.246 1.00 46.37 ? 358 VAL E CG2 1
ATOM 556 N N . ILE A 1 69 ? 22.962 22.055 63.940 1.00 30.84 ? 359 ILE E N 1
ATOM 557 C CA . ILE A 1 69 ? 22.722 22.622 65.257 1.00 28.10 ? 359 ILE E CA 1
ATOM 558 C C . ILE A 1 69 ? 23.279 24.054 65.187 1.00 29.09 ? 359 ILE E C 1
ATOM 559 O O . ILE A 1 69 ? 24.499 24.270 65.153 1.00 33.23 ? 359 ILE E O 1
ATOM 560 C CB . ILE A 1 69 ? 23.411 21.798 66.385 1.00 22.12 ? 359 ILE E CB 1
ATOM 561 C CG1 . ILE A 1 69 ? 22.841 20.381 66.441 1.00 16.72 ? 359 ILE E CG1 1
ATOM 562 C CG2 . ILE A 1 69 ? 23.166 22.441 67.747 1.00 22.37 ? 359 ILE E CG2 1
ATOM 563 C CD1 . ILE A 1 69 ? 23.486 19.539 67.494 1.00 20.89 ? 359 ILE E CD1 1
ATOM 564 N N . PRO A 1 70 ? 22.391 25.059 65.227 1.00 23.72 ? 360 PRO E N 1
ATOM 565 C CA . PRO A 1 70 ? 22.801 26.458 65.155 1.00 23.75 ? 360 PRO E CA 1
ATOM 566 C C . PRO A 1 70 ? 23.835 26.898 66.191 1.00 28.28 ? 360 PRO E C 1
ATOM 567 O O . PRO A 1 70 ? 24.063 26.212 67.201 1.00 32.47 ? 360 PRO E O 1
ATOM 568 C CB . PRO A 1 70 ? 21.476 27.199 65.306 1.00 17.37 ? 360 PRO E CB 1
ATOM 569 C CG . PRO A 1 70 ? 20.613 26.245 65.987 1.00 17.73 ? 360 PRO E CG 1
ATOM 570 C CD . PRO A 1 70 ? 20.931 24.972 65.319 1.00 17.46 ? 360 PRO E CD 1
ATOM 571 N N . ASN A 1 71 ? 24.529 27.996 65.897 1.00 31.59 ? 361 ASN E N 1
ATOM 572 C CA . ASN A 1 71 ? 25.551 28.511 66.805 1.00 35.49 ? 361 ASN E CA 1
ATOM 573 C C . ASN A 1 71 ? 24.963 29.084 68.065 1.00 30.15 ? 361 ASN E C 1
ATOM 574 O O . ASN A 1 71 ? 25.691 29.413 68.990 1.00 34.21 ? 361 ASN E O 1
ATOM 575 C CB . ASN A 1 71 ? 26.443 29.541 66.117 1.00 39.85 ? 361 ASN E CB 1
ATOM 576 C CG . ASN A 1 71 ? 27.162 28.963 64.928 1.00 46.82 ? 361 ASN E CG 1
ATOM 577 O OD1 . ASN A 1 71 ? 27.328 29.621 63.889 1.00 56.07 ? 361 ASN E OD1 1
ATOM 578 N ND2 . ASN A 1 71 ? 27.566 27.703 65.049 1.00 49.19 ? 361 ASN E ND2 1
ATOM 579 N N . THR A 1 72 ? 23.668 29.368 68.028 1.00 32.73 ? 362 THR E N 1
ATOM 580 C CA . THR A 1 72 ? 22.977 29.887 69.196 1.00 32.68 ? 362 THR E CA 1
ATOM 581 C C . THR A 1 72 ? 22.736 28.825 70.287 1.00 36.44 ? 362 THR E C 1
ATOM 582 O O . THR A 1 72 ? 22.385 29.153 71.430 1.00 39.23 ? 362 THR E O 1
ATOM 583 C CB . THR A 1 72 ? 21.669 30.554 68.780 1.00 35.45 ? 362 THR E CB 1
ATOM 584 O OG1 . THR A 1 72 ? 21.019 29.772 67.765 1.00 33.07 ? 362 THR E OG1 1
ATOM 585 C CG2 . THR A 1 72 ? 21.948 31.937 68.262 1.00 39.40 ? 362 THR E CG2 1
ATOM 586 N N . VAL A 1 73 ? 22.983 27.561 69.940 1.00 33.96 ? 363 VAL E N 1
ATOM 587 C CA . VAL A 1 73 ? 22.786 26.435 70.850 1.00 27.70 ? 363 VAL E CA 1
ATOM 588 C C . VAL A 1 73 ? 24.122 25.795 71.196 1.00 26.96 ? 363 VAL E C 1
ATOM 589 O O . VAL A 1 73 ? 24.957 25.603 70.320 1.00 21.29 ? 363 VAL E O 1
ATOM 590 C CB . VAL A 1 73 ? 21.872 25.362 70.192 1.00 26.20 ? 363 VAL E CB 1
ATOM 591 C CG1 . VAL A 1 73 ? 21.667 24.164 71.126 1.00 21.64 ? 363 VAL E CG1 1
ATOM 592 C CG2 . VAL A 1 73 ? 20.507 25.979 69.819 1.00 25.13 ? 363 VAL E CG2 1
ATOM 593 N N . SER A 1 74 ? 24.308 25.440 72.463 1.00 19.08 ? 364 SER E N 1
ATOM 594 C CA . SER A 1 74 ? 25.530 24.797 72.914 1.00 18.85 ? 364 SER E CA 1
ATOM 595 C C . SER A 1 74 ? 25.286 23.297 73.087 1.00 20.74 ? 364 SER E C 1
ATOM 596 O O . SER A 1 74 ? 24.280 22.869 73.671 1.00 26.18 ? 364 SER E O 1
ATOM 597 C CB . SER A 1 74 ? 25.982 25.406 74.229 1.00 24.46 ? 364 SER E CB 1
ATOM 598 O OG . SER A 1 74 ? 26.103 26.803 74.066 1.00 43.71 ? 364 SER E OG 1
ATOM 599 N N . VAL A 1 75 ? 26.225 22.507 72.591 1.00 12.81 ? 365 VAL E N 1
ATOM 600 C CA . VAL A 1 75 ? 26.117 21.067 72.644 1.00 11.90 ? 365 VAL E CA 1
ATOM 601 C C . VAL A 1 75 ? 27.120 20.494 73.607 1.00 11.38 ? 365 VAL E C 1
ATOM 602 O O . VAL A 1 75 ? 28.283 20.873 73.578 1.00 15.87 ? 365 VAL E O 1
ATOM 603 C CB . VAL A 1 75 ? 26.470 20.478 71.285 1.00 12.68 ? 365 VAL E CB 1
ATOM 604 C CG1 . VAL A 1 75 ? 26.348 18.967 71.299 1.00 10.61 ? 365 VAL E CG1 1
ATOM 605 C CG2 . VAL A 1 75 ? 25.630 21.118 70.222 1.00 14.99 ? 365 VAL E CG2 1
ATOM 606 N N . SER A 1 76 ? 26.661 19.641 74.513 1.00 14.56 ? 366 SER E N 1
ATOM 607 C CA . SER A 1 76 ? 27.574 18.960 75.421 1.00 13.01 ? 366 SER E CA 1
ATOM 608 C C . SER A 1 76 ? 27.204 17.482 75.417 1.00 12.83 ? 366 SER E C 1
ATOM 609 O O . SER A 1 76 ? 26.054 17.126 75.221 1.00 16.24 ? 366 SER E O 1
ATOM 610 C CB . SER A 1 76 ? 27.625 19.580 76.811 1.00 5.82 ? 366 SER E CB 1
ATOM 611 O OG . SER A 1 76 ? 26.359 19.686 77.404 1.00 18.25 ? 366 SER E OG 1
ATOM 612 N N . THR A 1 77 ? 28.187 16.623 75.603 1.00 15.25 ? 367 THR E N 1
ATOM 613 C CA . THR A 1 77 ? 27.965 15.196 75.564 1.00 14.08 ? 367 THR E CA 1
ATOM 614 C C . THR A 1 77 ? 28.145 14.548 76.934 1.00 15.94 ? 367 THR E C 1
ATOM 615 O O . THR A 1 77 ? 28.734 15.125 77.838 1.00 18.16 ? 367 THR E O 1
ATOM 616 C CB . THR A 1 77 ? 28.917 14.536 74.521 1.00 23.30 ? 367 THR E CB 1
ATOM 617 O OG1 . THR A 1 77 ? 30.277 14.889 74.806 1.00 28.26 ? 367 THR E OG1 1
ATOM 618 C CG2 . THR A 1 77 ? 28.591 14.983 73.105 1.00 19.48 ? 367 THR E CG2 1
ATOM 619 N N . GLY A 1 78 ? 27.642 13.334 77.092 1.00 12.89 ? 368 GLY E N 1
ATOM 620 C CA . GLY A 1 78 ? 27.782 12.671 78.368 1.00 8.36 ? 368 GLY E CA 1
ATOM 621 C C . GLY A 1 78 ? 27.179 11.304 78.252 1.00 15.99 ? 368 GLY E C 1
ATOM 622 O O . GLY A 1 78 ? 26.797 10.880 77.142 1.00 21.96 ? 368 GLY E O 1
ATOM 623 N N . TYR A 1 79 ? 27.179 10.558 79.358 1.00 19.81 ? 369 TYR E N 1
ATOM 624 C CA . TYR A 1 79 ? 26.574 9.233 79.344 1.00 22.23 ? 369 TYR E CA 1
ATOM 625 C C . TYR A 1 79 ? 25.848 8.959 80.612 1.00 19.43 ? 369 TYR E C 1
ATOM 626 O O . TYR A 1 79 ? 26.155 9.533 81.653 1.00 27.49 ? 369 TYR E O 1
ATOM 627 C CB . TYR A 1 79 ? 27.618 8.124 79.127 1.00 36.70 ? 369 TYR E CB 1
ATOM 628 C CG . TYR A 1 79 ? 28.438 7.704 80.349 1.00 50.62 ? 369 TYR E CG 1
ATOM 629 C CD1 . TYR A 1 79 ? 27.836 7.135 81.480 1.00 54.28 ? 369 TYR E CD1 1
ATOM 630 C CD2 . TYR A 1 79 ? 29.822 7.780 80.336 1.00 61.05 ? 369 TYR E CD2 1
ATOM 631 C CE1 . TYR A 1 79 ? 28.587 6.668 82.548 1.00 56.09 ? 369 TYR E CE1 1
ATOM 632 C CE2 . TYR A 1 79 ? 30.575 7.292 81.400 1.00 63.16 ? 369 TYR E CE2 1
ATOM 633 C CZ . TYR A 1 79 ? 29.960 6.750 82.494 1.00 61.09 ? 369 TYR E CZ 1
ATOM 634 O OH . TYR A 1 79 ? 30.742 6.295 83.533 1.00 68.50 ? 369 TYR E OH 1
ATOM 635 N N . MET A 1 80 ? 24.939 8.000 80.529 1.00 13.17 ? 370 MET E N 1
ATOM 636 C CA . MET A 1 80 ? 24.201 7.545 81.684 1.00 15.39 ? 370 MET E CA 1
ATOM 637 C C . MET A 1 80 ? 24.481 6.070 81.764 1.00 18.56 ? 370 MET E C 1
ATOM 638 O O . MET A 1 80 ? 24.526 5.380 80.753 1.00 18.25 ? 370 MET E O 1
ATOM 639 C CB . MET A 1 80 ? 22.705 7.753 81.486 1.00 18.29 ? 370 MET E CB 1
ATOM 640 C CG . MET A 1 80 ? 22.268 9.179 81.505 1.00 15.54 ? 370 MET E CG 1
ATOM 641 S SD . MET A 1 80 ? 22.430 9.818 83.124 1.00 21.90 ? 370 MET E SD 1
ATOM 642 C CE . MET A 1 80 ? 21.347 8.752 83.933 1.00 21.06 ? 370 MET E CE 1
ATOM 643 N N . THR A 1 81 ? 24.697 5.595 82.975 1.00 23.86 ? 371 THR E N 1
ATOM 644 C CA . THR A 1 81 ? 24.914 4.188 83.211 1.00 21.48 ? 371 THR E CA 1
ATOM 645 C C . THR A 1 81 ? 23.526 3.550 83.175 1.00 24.65 ? 371 THR E C 1
ATOM 646 O O . THR A 1 81 ? 22.531 4.139 83.646 1.00 20.76 ? 371 THR E O 1
ATOM 647 C CB . THR A 1 81 ? 25.592 4.000 84.567 1.00 15.91 ? 371 THR E CB 1
ATOM 648 O OG1 . THR A 1 81 ? 26.895 4.605 84.501 1.00 17.07 ? 371 THR E OG1 1
ATOM 649 C CG2 . THR A 1 81 ? 25.709 2.550 84.959 1.00 7.00 ? 371 THR E CG2 1
ATOM 650 N N . ILE A 1 82 ? 23.447 2.403 82.514 1.00 30.92 ? 372 ILE E N 1
ATOM 651 C CA . ILE A 1 82 ? 22.212 1.657 82.398 1.00 34.91 ? 372 ILE E CA 1
ATOM 652 C C . ILE A 1 82 ? 21.991 0.863 83.686 1.00 33.38 ? 372 ILE E C 1
ATOM 653 O O . ILE A 1 82 ? 20.844 0.891 84.174 1.00 35.20 ? 372 ILE E O 1
ATOM 654 C CB . ILE A 1 82 ? 22.233 0.696 81.203 1.00 32.61 ? 372 ILE E CB 1
ATOM 655 C CG1 . ILE A 1 82 ? 22.490 1.464 79.911 1.00 36.11 ? 372 ILE E CG1 1
ATOM 656 C CG2 . ILE A 1 82 ? 20.865 0.080 81.034 1.00 38.67 ? 372 ILE E CG2 1
ATOM 657 C CD1 . ILE A 1 82 ? 22.695 0.579 78.709 1.00 39.48 ? 372 ILE E CD1 1
ATOM 658 O OXT . ILE A 1 82 ? 22.960 0.258 84.211 1.00 31.75 ? 372 ILE E OXT 1
HETATM 659 S S . SO4 B 2 . ? 8.082 21.623 75.689 1.00 38.66 ? 1 SO4 E S 1
HETATM 660 O O1 . SO4 B 2 . ? 7.927 20.196 75.427 1.00 36.18 ? 1 SO4 E O1 1
HETATM 661 O O2 . SO4 B 2 . ? 7.675 22.436 74.562 1.00 41.62 ? 1 SO4 E O2 1
HETATM 662 O O3 . SO4 B 2 . ? 9.476 21.880 75.938 1.00 46.97 ? 1 SO4 E O3 1
HETATM 663 O O4 . SO4 B 2 . ? 7.269 22.000 76.841 1.00 49.11 ? 1 SO4 E O4 1
HETATM 664 S S . SO4 C 2 . ? 19.803 15.042 81.509 1.00 73.42 ? 2 SO4 E S 1
HETATM 665 O O1 . SO4 C 2 . ? 20.434 14.490 80.305 1.00 73.42 ? 2 SO4 E O1 1
HETATM 666 O O2 . SO4 C 2 . ? 20.691 14.754 82.647 1.00 73.42 ? 2 SO4 E O2 1
HETATM 667 O O3 . SO4 C 2 . ? 18.507 14.438 81.719 1.00 73.42 ? 2 SO4 E O3 1
HETATM 668 O O4 . SO4 C 2 . ? 19.709 16.492 81.352 1.00 73.42 ? 2 SO4 E O4 1
HETATM 669 O O . HOH D 3 . ? 25.150 21.837 76.465 1.00 34.78 ? 3 HOH E O 1
HETATM 670 O O . HOH D 3 . ? 8.859 29.061 74.219 1.00 25.91 ? 4 HOH E O 1
HETATM 671 O O . HOH D 3 . ? 14.424 29.706 80.596 1.00 44.25 ? 5 HOH E O 1
HETATM 672 O O . HOH D 3 . ? 24.221 23.608 81.987 1.00 34.10 ? 6 HOH E O 1
HETATM 673 O O . HOH D 3 . ? 26.913 1.678 66.519 1.00 35.98 ? 7 HOH E O 1
HETATM 674 O O . HOH D 3 . ? 8.404 19.234 69.106 1.00 51.00 ? 8 HOH E O 1
HETATM 675 O O . HOH D 3 . ? 20.311 30.199 72.091 1.00 47.73 ? 9 HOH E O 1
HETATM 676 O O . HOH D 3 . ? 12.502 27.857 87.896 1.00 63.63 ? 10 HOH E O 1
HETATM 677 O O . HOH D 3 . ? 14.113 8.948 66.990 1.00 44.16 ? 11 HOH E O 1
HETATM 678 O O . HOH D 3 . ? 26.746 24.299 67.800 1.00 31.56 ? 12 HOH E O 1
HETATM 679 O O . HOH D 3 . ? 11.616 11.198 68.537 1.00 46.75 ? 13 HOH E O 1
HETATM 680 O O . HOH D 3 . ? 8.298 10.412 64.065 1.00 62.98 ? 14 HOH E O 1
HETATM 681 O O . HOH D 3 . ? 6.429 23.990 70.948 1.00 33.00 ? 15 HOH E O 1
HETATM 682 O O . HOH D 3 . ? 28.547 23.378 70.914 1.00 37.39 ? 16 HOH E O 1
HETATM 683 O O . HOH D 3 . ? 16.329 26.165 65.606 1.00 35.75 ? 17 HOH E O 1
HETATM 684 O O . HOH D 3 . ? 13.397 34.422 93.367 1.00 54.20 ? 18 HOH E O 1
HETATM 685 O O . HOH D 3 . ? 26.218 2.518 73.779 1.00 52.60 ? 19 HOH E O 1
HETATM 686 O O . HOH D 3 . ? 17.929 7.826 83.063 1.00 32.81 ? 20 HOH E O 1
HETATM 687 O O . HOH D 3 . ? 24.570 19.271 82.404 1.00 25.30 ? 21 HOH E O 1
HETATM 688 O O . HOH D 3 . ? 9.495 25.604 85.292 1.00 44.52 ? 22 HOH E O 1
HETATM 689 O O . HOH D 3 . ? 20.067 33.014 71.073 1.00 26.71 ? 23 HOH E O 1
HETATM 690 O O . HOH D 3 . ? 25.018 25.203 84.372 1.00 49.61 ? 24 HOH E O 1
HETATM 691 O O . HOH D 3 . ? 8.624 16.605 66.428 1.00 39.06 ? 25 HOH E O 1
HETATM 692 O O . HOH D 3 . ? 34.519 6.517 69.054 1.00 66.02 ? 26 HOH E O 1
HETATM 693 O O . HOH D 3 . ? 17.496 2.948 86.690 1.00 46.04 ? 27 HOH E O 1
HETATM 694 O O . HOH D 3 . ? 23.828 28.810 76.647 1.00 56.64 ? 28 HOH E O 1
HETATM 695 O O . HOH D 3 . ? 10.998 5.654 70.881 1.00 66.45 ? 29 HOH E O 1
HETATM 696 O O . HOH D 3 . ? 27.875 6.981 86.649 1.00 19.05 ? 30 HOH E O 1
HETATM 697 O O . HOH D 3 . ? 11.391 10.953 72.409 1.00 18.53 ? 31 HOH E O 1
HETATM 698 O O . HOH D 3 . ? 28.457 6.961 76.169 1.00 20.80 ? 32 HOH E O 1
HETATM 699 O O . HOH D 3 . ? 12.071 34.071 73.353 1.00 42.42 ? 33 HOH E O 1
HETATM 700 O O . HOH D 3 . ? 33.244 12.522 72.681 1.00 43.45 ? 34 HOH E O 1
HETATM 701 O O . HOH D 3 . ? 3.873 31.212 73.916 1.00 53.26 ? 35 HOH E O 1
HETATM 702 O O . HOH D 3 . ? 14.853 38.178 89.340 1.00 86.65 ? 36 HOH E O 1
HETATM 703 O O . HOH D 3 . ? 14.514 1.773 67.286 1.00 60.90 ? 37 HOH E O 1
HETATM 704 O O . HOH D 3 . ? 25.262 -0.952 83.435 1.00 42.41 ? 38 HOH E O 1
HETATM 705 O O . HOH D 3 . ? 23.150 -2.882 80.717 1.00 45.13 ? 39 HOH E O 1
HETATM 706 O O . HOH D 3 . ? 19.918 5.288 79.944 1.00 59.25 ? 40 HOH E O 1
HETATM 707 O O . HOH D 3 . ? 20.221 5.029 82.406 1.00 20.40 ? 41 HOH E O 1
HETATM 708 O O . HOH D 3 . ? 24.791 28.403 80.541 1.00 48.58 ? 42 HOH E O 1
HETATM 709 O O . HOH D 3 . ? 25.785 33.582 68.931 1.00 55.04 ? 43 HOH E O 1
HETATM 710 O O . HOH D 3 . ? 13.680 29.918 83.460 1.00 38.38 ? 44 HOH E O 1
HETATM 711 O O . HOH D 3 . ? 15.622 34.902 90.137 1.00 61.76 ? 45 HOH E O 1
HETATM 712 O O . HOH D 3 . ? 10.883 14.403 66.048 1.00 38.96 ? 46 HOH E O 1
HETATM 713 O O . HOH D 3 . ? 10.085 14.933 69.242 1.00 40.28 ? 47 HOH E O 1
HETATM 714 O O . HOH D 3 . ? 7.882 12.373 60.561 1.00 62.92 ? 48 HOH E O 1
HETATM 715 O O . HOH D 3 . ? 7.823 17.723 74.222 1.00 60.05 ? 49 HOH E O 1
HETATM 716 O O . HOH D 3 . ? 12.000 30.899 67.392 1.00 46.62 ? 50 HOH E O 1
HETATM 717 O O . HOH D 3 . ? 29.854 11.655 70.070 1.00 56.65 ? 51 HOH E O 1
HETATM 718 O O . HOH D 3 . ? 34.729 11.821 69.053 1.00 53.75 ? 52 HOH E O 1
HETATM 719 O O . HOH D 3 . ? 28.225 0.299 77.626 1.00 56.30 ? 53 HOH E O 1
HETATM 720 O O . HOH D 3 . ? 28.759 -4.210 81.116 1.00 61.90 ? 54 HOH E O 1
HETATM 721 O O . HOH D 3 . ? 24.222 1.159 75.804 1.00 46.41 ? 55 HOH E O 1
HETATM 722 O O . HOH D 3 . ? 17.761 33.085 66.448 1.00 53.02 ? 56 HOH E O 1
HETATM 723 O O . HOH D 3 . ? 6.478 17.665 68.967 1.00 65.14 ? 57 HOH E O 1
HETATM 724 O O . HOH D 3 . ? 6.212 15.446 61.993 1.00 30.74 ? 58 HOH E O 1
HETATM 725 O O . HOH D 3 . ? 18.658 0.568 71.943 1.00 37.57 ? 59 HOH E O 1
HETATM 726 O O . HOH D 3 . ? 31.455 13.391 58.042 1.00 41.50 ? 60 HOH E O 1
HETATM 727 O O . HOH D 3 . ? 29.575 10.382 61.521 1.00 40.17 ? 61 HOH E O 1
HETATM 728 O O . HOH D 3 . ? 33.163 11.959 64.620 1.00 65.67 ? 62 HOH E O 1
HETATM 729 O O . HOH D 3 . ? 37.062 8.309 57.728 1.00 63.86 ? 63 HOH E O 1
HETATM 730 O O . HOH D 3 . ? 24.043 29.396 62.472 1.00 35.45 ? 64 HOH E O 1
HETATM 731 O O . HOH D 3 . ? 22.627 4.196 86.502 1.00 23.27 ? 65 HOH E O 1
HETATM 732 O O . HOH D 3 . ? 25.115 25.455 61.828 1.00 63.27 ? 66 HOH E O 1
HETATM 733 O O . HOH D 3 . ? 8.769 36.271 82.931 1.00 58.78 ? 67 HOH E O 1
HETATM 734 O O . HOH D 3 . ? 6.407 21.524 80.921 1.00 67.43 ? 68 HOH E O 1
HETATM 735 O O . HOH D 3 . ? 10.898 22.069 82.586 1.00 51.69 ? 69 HOH E O 1
HETATM 736 O O . HOH D 3 . ? 16.141 -0.766 82.663 1.00 71.44 ? 70 HOH E O 1
HETATM 737 O O . HOH D 3 . ? 18.961 -1.276 88.938 1.00 49.16 ? 71 HOH E O 1
HETATM 738 O O . HOH D 3 . ? 27.348 -1.052 85.999 1.00 67.61 ? 72 HOH E O 1
HETATM 739 O O . HOH D 3 . ? 25.557 19.221 64.223 1.00 47.45 ? 73 HOH E O 1
HETATM 740 O O . HOH D 3 . ? 34.157 7.454 83.325 1.00 54.92 ? 74 HOH E O 1
HETATM 741 O O . HOH D 3 . ? 32.224 0.192 84.129 1.00 50.96 ? 75 HOH E O 1
HETATM 742 O O . HOH D 3 . ? 30.184 1.446 79.387 1.00 35.95 ? 76 HOH E O 1
#
loop_
_pdbx_poly_seq_scheme.asym_id
_pdbx_poly_seq_scheme.entity_id
_pdbx_poly_seq_scheme.seq_id
_pdbx_poly_seq_scheme.mon_id
_pdbx_poly_seq_scheme.ndb_seq_num
_pdbx_poly_seq_scheme.pdb_seq_num
_pdbx_poly_seq_scheme.auth_seq_num
_pdbx_poly_seq_scheme.pdb_mon_id
_pdbx_poly_seq_scheme.auth_mon_id
_pdbx_poly_seq_scheme.pdb_strand_id
_pdbx_poly_seq_scheme.pdb_ins_code
_pdbx_poly_seq_scheme.hetero
A 1 1 ALA 1 291 291 ALA ALA E . n
A 1 2 THR 2 292 292 THR THR E . n
A 1 3 THR 3 293 293 THR THR E . n
A 1 4 PRO 4 294 294 PRO PRO E . n
A 1 5 ILE 5 295 295 ILE ILE E . n
A 1 6 ILE 6 296 296 ILE ILE E . n
A 1 7 HIS 7 297 297 HIS HIS E . n
A 1 8 LEU 8 298 298 LEU LEU E . n
A 1 9 LYS 9 299 299 LYS LYS E . n
A 1 10 GLY 10 300 300 GLY GLY E . n
A 1 11 ASP 11 301 301 ASP ASP E . n
A 1 12 ALA 12 302 302 ALA ALA E . n
A 1 13 ASN 13 303 303 ASN ASN E . n
A 1 14 ILE 14 304 304 ILE ILE E . n
A 1 15 LEU 15 305 305 LEU LEU E . n
A 1 16 LYS 16 306 306 LYS LYS E . n
A 1 17 CYS 17 307 307 CYS CYS E . n
A 1 18 LEU 18 308 308 LEU LEU E . n
A 1 19 ARG 19 309 309 ARG ARG E . n
A 1 20 TYR 20 310 310 TYR TYR E . n
A 1 21 ARG 21 311 311 ARG ARG E . n
A 1 22 LEU 22 312 312 LEU LEU E . n
A 1 23 SER 23 313 313 SER SER E . n
A 1 24 LYS 24 314 314 LYS LYS E . n
A 1 25 TYR 25 315 315 TYR TYR E . n
A 1 26 LYS 26 316 316 LYS LYS E . n
A 1 27 GLN 27 317 317 GLN GLN E . n
A 1 28 LEU 28 318 318 LEU LEU E . n
A 1 29 TYR 29 319 319 TYR TYR E . n
A 1 30 GLU 30 320 320 GLU GLU E . n
A 1 31 GLN 31 321 321 GLN GLN E . n
A 1 32 VAL 32 322 322 VAL VAL E . n
A 1 33 SER 33 323 323 SER SER E . n
A 1 34 SER 34 324 324 SER SER E . n
A 1 35 THR 35 325 325 THR THR E . n
A 1 36 TRP 36 326 326 TRP TRP E . n
A 1 37 HIS 37 327 327 HIS HIS E . n
A 1 38 TRP 38 328 328 TRP TRP E . n
A 1 39 THR 39 329 329 THR THR E . n
A 1 40 CYS 40 330 330 CYS CYS E . n
A 1 41 THR 41 331 331 THR THR E . n
A 1 42 ASP 42 332 332 ASP ASP E . n
A 1 43 GLY 43 333 333 GLY GLY E . n
A 1 44 LYS 44 334 334 LYS LYS E . n
A 1 45 HIS 45 335 335 HIS HIS E . n
A 1 46 LYS 46 336 336 LYS LYS E . n
A 1 47 ASN 47 337 337 ASN ASN E . n
A 1 48 ALA 48 338 338 ALA ALA E . n
A 1 49 ILE 49 339 339 ILE ILE E . n
A 1 50 VAL 50 340 340 VAL VAL E . n
A 1 51 THR 51 341 341 THR THR E . n
A 1 52 LEU 52 342 342 LEU LEU E . n
A 1 53 THR 53 343 343 THR THR E . n
A 1 54 TYR 54 344 344 TYR TYR E . n
A 1 55 ILE 55 345 345 ILE ILE E . n
A 1 56 SER 56 346 346 SER SER E . n
A 1 57 THR 57 347 347 THR THR E . n
A 1 58 SER 58 348 348 SER SER E . n
A 1 59 GLN 59 349 349 GLN GLN E . n
A 1 60 ARG 60 350 350 ARG ARG E . n
A 1 61 ASP 61 351 351 ASP ASP E . n
A 1 62 ASP 62 352 352 ASP ASP E . n
A 1 63 PHE 63 353 353 PHE PHE E . n
A 1 64 LEU 64 354 354 LEU LEU E . n
A 1 65 ASN 65 355 355 ASN ASN E . n
A 1 66 THR 66 356 356 THR THR E . n
A 1 67 VAL 67 357 357 VAL VAL E . n
A 1 68 VAL 68 358 358 VAL VAL E . n
A 1 69 ILE 69 359 359 ILE ILE E . n
A 1 70 PRO 70 360 360 PRO PRO E . n
A 1 71 ASN 71 361 361 ASN ASN E . n
A 1 72 THR 72 362 362 THR THR E . n
A 1 73 VAL 73 363 363 VAL VAL E . n
A 1 74 SER 74 364 364 SER SER E . n
A 1 75 VAL 75 365 365 VAL VAL E . n
A 1 76 SER 76 366 366 SER SER E . n
A 1 77 THR 77 367 367 THR THR E . n
A 1 78 GLY 78 368 368 GLY GLY E . n
A 1 79 TYR 79 369 369 TYR TYR E . n
A 1 80 MET 80 370 370 MET MET E . n
A 1 81 THR 81 371 371 THR THR E . n
A 1 82 ILE 82 372 372 ILE ILE E . 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
B 2 SO4 1 1 1 SO4 SO4 E .
C 2 SO4 1 2 2 SO4 SO4 E .
D 3 HOH 1 3 3 HOH HOH E .
D 3 HOH 2 4 4 HOH HOH E .
D 3 HOH 3 5 5 HOH HOH E .
D 3 HOH 4 6 6 HOH HOH E .
D 3 HOH 5 7 7 HOH HOH E .
D 3 HOH 6 8 8 HOH HOH E .
D 3 HOH 7 9 9 HOH HOH E .
D 3 HOH 8 10 10 HOH HOH E .
D 3 HOH 9 11 11 HOH HOH E .
D 3 HOH 10 12 12 HOH HOH E .
D 3 HOH 11 13 13 HOH HOH E .
D 3 HOH 12 14 14 HOH HOH E .
D 3 HOH 13 15 15 HOH HOH E .
D 3 HOH 14 16 16 HOH HOH E .
D 3 HOH 15 17 17 HOH HOH E .
D 3 HOH 16 18 18 HOH HOH E .
D 3 HOH 17 19 19 HOH HOH E .
D 3 HOH 18 20 20 HOH HOH E .
D 3 HOH 19 21 21 HOH HOH E .
D 3 HOH 20 22 22 HOH HOH E .
D 3 HOH 21 23 23 HOH HOH E .
D 3 HOH 22 24 24 HOH HOH E .
D 3 HOH 23 25 25 HOH HOH E .
D 3 HOH 24 26 26 HOH HOH E .
D 3 HOH 25 27 27 HOH HOH E .
D 3 HOH 26 28 28 HOH HOH E .
D 3 HOH 27 29 29 HOH HOH E .
D 3 HOH 28 30 30 HOH HOH E .
D 3 HOH 29 31 31 HOH HOH E .
D 3 HOH 30 32 32 HOH HOH E .
D 3 HOH 31 33 33 HOH HOH E .
D 3 HOH 32 34 34 HOH HOH E .
D 3 HOH 33 35 35 HOH HOH E .
D 3 HOH 34 36 36 HOH HOH E .
D 3 HOH 35 37 37 HOH HOH E .
D 3 HOH 36 38 38 HOH HOH E .
D 3 HOH 37 39 39 HOH HOH E .
D 3 HOH 38 40 40 HOH HOH E .
D 3 HOH 39 41 41 HOH HOH E .
D 3 HOH 40 42 42 HOH HOH E .
D 3 HOH 41 43 43 HOH HOH E .
D 3 HOH 42 44 44 HOH HOH E .
D 3 HOH 43 45 45 HOH HOH E .
D 3 HOH 44 46 46 HOH HOH E .
D 3 HOH 45 47 47 HOH HOH E .
D 3 HOH 46 48 48 HOH HOH E .
D 3 HOH 47 49 49 HOH HOH E .
D 3 HOH 48 50 50 HOH HOH E .
D 3 HOH 49 51 51 HOH HOH E .
D 3 HOH 50 52 52 HOH HOH E .
D 3 HOH 51 53 53 HOH HOH E .
D 3 HOH 52 54 54 HOH HOH E .
D 3 HOH 53 55 55 HOH HOH E .
D 3 HOH 54 56 56 HOH HOH E .
D 3 HOH 55 57 57 HOH HOH E .
D 3 HOH 56 58 58 HOH HOH E .
D 3 HOH 57 59 59 HOH HOH E .
D 3 HOH 58 60 60 HOH HOH E .
D 3 HOH 59 61 61 HOH HOH E .
D 3 HOH 60 62 62 HOH HOH E .
D 3 HOH 61 63 63 HOH HOH E .
D 3 HOH 62 64 64 HOH HOH E .
D 3 HOH 63 65 65 HOH HOH E .
D 3 HOH 64 66 66 HOH HOH E .
D 3 HOH 65 67 67 HOH HOH E .
D 3 HOH 66 68 68 HOH HOH E .
D 3 HOH 67 69 69 HOH HOH E .
D 3 HOH 68 70 70 HOH HOH E .
D 3 HOH 69 71 71 HOH HOH E .
D 3 HOH 70 72 72 HOH HOH E .
D 3 HOH 71 73 73 HOH HOH E .
D 3 HOH 72 74 74 HOH HOH E .
D 3 HOH 73 75 75 HOH HOH E .
D 3 HOH 74 76 76 HOH HOH E .
#
_pdbx_struct_assembly.id 1
_pdbx_struct_assembly.details author_and_software_defined_assembly
_pdbx_struct_assembly.method_details PISA,PQS
_pdbx_struct_assembly.oligomeric_details dimeric
_pdbx_struct_assembly.oligomeric_count 2
#
_pdbx_struct_assembly_gen.assembly_id 1
_pdbx_struct_assembly_gen.oper_expression 1,2
_pdbx_struct_assembly_gen.asym_id_list A,B,C,D
#
loop_
_pdbx_struct_assembly_prop.biol_id
_pdbx_struct_assembly_prop.type
_pdbx_struct_assembly_prop.value
_pdbx_struct_assembly_prop.details
1 'ABSA (A^2)' 2650 ?
1 MORE -87 ?
1 'SSA (A^2)' 8630 ?
#
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' 10_665 -y+1,-x+1,-z+5/6 0.5000000000 -0.8660254038 0.0000000000 22.9450000000 -0.8660254038
-0.5000000000 0.0000000000 39.7419057797 0.0000000000 0.0000000000 -1.0000000000 163.0300000000
#
_pdbx_struct_special_symmetry.id 1
_pdbx_struct_special_symmetry.PDB_model_num 1
_pdbx_struct_special_symmetry.auth_asym_id E
_pdbx_struct_special_symmetry.auth_comp_id SO4
_pdbx_struct_special_symmetry.auth_seq_id 2
_pdbx_struct_special_symmetry.PDB_ins_code ?
_pdbx_struct_special_symmetry.label_asym_id C
_pdbx_struct_special_symmetry.label_comp_id SO4
_pdbx_struct_special_symmetry.label_seq_id .
#
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 1999-04-27
2 'Structure model' 1 1 2008-03-24
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' 'Derived calculations'
3 3 'Structure model' 'Version format compliance'
#
loop_
_software.name
_software.classification
_software.version
_software.citation_id
_software.pdbx_ordinal
X-PLOR 'model building' 3.85 ? 1
X-PLOR refinement 3.85 ? 2
DENZO 'data reduction' . ? 3
SCALEPACK 'data scaling' . ? 4
X-PLOR phasing 3.85 ? 5
#
loop_
_pdbx_validate_symm_contact.id
_pdbx_validate_symm_contact.PDB_model_num
_pdbx_validate_symm_contact.auth_atom_id_1
_pdbx_validate_symm_contact.auth_asym_id_1
_pdbx_validate_symm_contact.auth_comp_id_1
_pdbx_validate_symm_contact.auth_seq_id_1
_pdbx_validate_symm_contact.PDB_ins_code_1
_pdbx_validate_symm_contact.label_alt_id_1
_pdbx_validate_symm_contact.site_symmetry_1
_pdbx_validate_symm_contact.auth_atom_id_2
_pdbx_validate_symm_contact.auth_asym_id_2
_pdbx_validate_symm_contact.auth_comp_id_2
_pdbx_validate_symm_contact.auth_seq_id_2
_pdbx_validate_symm_contact.PDB_ins_code_2
_pdbx_validate_symm_contact.label_alt_id_2
_pdbx_validate_symm_contact.site_symmetry_2
_pdbx_validate_symm_contact.dist
1 1 O3 E SO4 2 ? ? 1_555 O4 E SO4 2 ? ? 10_665 0.04
2 1 O1 E SO4 2 ? ? 1_555 O2 E SO4 2 ? ? 10_665 0.12
3 1 S E SO4 2 ? ? 1_555 O4 E SO4 2 ? ? 10_665 1.44
4 1 S E SO4 2 ? ? 1_555 O2 E SO4 2 ? ? 10_665 1.46
5 1 S E SO4 2 ? ? 1_555 O3 E SO4 2 ? ? 10_665 1.47
6 1 S E SO4 2 ? ? 1_555 O1 E SO4 2 ? ? 10_665 1.48
#
_pdbx_validate_rmsd_angle.id 1
_pdbx_validate_rmsd_angle.PDB_model_num 1
_pdbx_validate_rmsd_angle.auth_atom_id_1 CA
_pdbx_validate_rmsd_angle.auth_asym_id_1 E
_pdbx_validate_rmsd_angle.auth_comp_id_1 LEU
_pdbx_validate_rmsd_angle.auth_seq_id_1 342
_pdbx_validate_rmsd_angle.PDB_ins_code_1 ?
_pdbx_validate_rmsd_angle.label_alt_id_1 ?
_pdbx_validate_rmsd_angle.auth_atom_id_2 CB
_pdbx_validate_rmsd_angle.auth_asym_id_2 E
_pdbx_validate_rmsd_angle.auth_comp_id_2 LEU
_pdbx_validate_rmsd_angle.auth_seq_id_2 342
_pdbx_validate_rmsd_angle.PDB_ins_code_2 ?
_pdbx_validate_rmsd_angle.label_alt_id_2 ?
_pdbx_validate_rmsd_angle.auth_atom_id_3 CG
_pdbx_validate_rmsd_angle.auth_asym_id_3 E
_pdbx_validate_rmsd_angle.auth_comp_id_3 LEU
_pdbx_validate_rmsd_angle.auth_seq_id_3 342
_pdbx_validate_rmsd_angle.PDB_ins_code_3 ?
_pdbx_validate_rmsd_angle.label_alt_id_3 ?
_pdbx_validate_rmsd_angle.angle_value 133.46
_pdbx_validate_rmsd_angle.angle_target_value 115.30
_pdbx_validate_rmsd_angle.angle_deviation 18.16
_pdbx_validate_rmsd_angle.angle_standard_deviation 2.30
_pdbx_validate_rmsd_angle.linker_flag N
#
loop_
_pdbx_validate_torsion.id
_pdbx_validate_torsion.PDB_model_num
_pdbx_validate_torsion.auth_comp_id
_pdbx_validate_torsion.auth_asym_id
_pdbx_validate_torsion.auth_seq_id
_pdbx_validate_torsion.PDB_ins_code
_pdbx_validate_torsion.label_alt_id
_pdbx_validate_torsion.phi
_pdbx_validate_torsion.psi
1 1 GLU E 320 ? ? -99.77 -62.97
2 1 HIS E 335 ? ? 66.19 -56.29
#
loop_
_pdbx_entity_nonpoly.entity_id
_pdbx_entity_nonpoly.name
_pdbx_entity_nonpoly.comp_id
2 'SULFATE ION' SO4
3 water HOH
#
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