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|
data_3BKR
#
_entry.id 3BKR
#
_audit_conform.dict_name mmcif_pdbx.dic
_audit_conform.dict_version 5.281
_audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic
#
loop_
_database_2.database_id
_database_2.database_code
PDB 3BKR
RCSB RCSB045641
WWPDB D_1000045641
#
loop_
_pdbx_database_related.db_name
_pdbx_database_related.db_id
_pdbx_database_related.details
_pdbx_database_related.content_type
PDB 1PZ4 'mosquito SCP2' unspecified
PDB 2QZT 'mosquito SCP2-Like2 cryo-cooled' unspecified
PDB 3BDQ 'mosquito SCP2-Like2 room temperature' unspecified
PDB 3BKS 'mosquito SCP2-Like3 room temperature' unspecified
#
_pdbx_database_status.entry_id 3BKR
_pdbx_database_status.deposit_site RCSB
_pdbx_database_status.process_site RCSB
_pdbx_database_status.recvd_initial_deposition_date 2007-12-07
_pdbx_database_status.status_code REL
_pdbx_database_status.status_code_sf REL
_pdbx_database_status.status_code_mr ?
_pdbx_database_status.SG_entry ?
_pdbx_database_status.pdb_format_compatible Y
_pdbx_database_status.status_code_cs ?
#
loop_
_audit_author.name
_audit_author.pdbx_ordinal
'Dyer, D.H.' 1
'Lan, Q.' 2
'Forest, K.T.' 3
#
_citation.id primary
_citation.title
'Characterization of the yellow fever mosquito sterol carrier protein-2 like 3 gene and ligand-bound protein structure.'
_citation.journal_abbrev Mol.Cell.Biochem.
_citation.journal_volume 326
_citation.page_first 67
_citation.page_last 77
_citation.year 2009
_citation.journal_id_ASTM ?
_citation.country NE
_citation.journal_id_ISSN 0300-8177
_citation.journal_id_CSD ?
_citation.book_publisher ?
_citation.pdbx_database_id_PubMed 19130179
_citation.pdbx_database_id_DOI 10.1007/s11010-008-0007-z
#
loop_
_citation_author.citation_id
_citation_author.name
_citation_author.ordinal
primary 'Dyer, D.H.' 1
primary 'Vyazunova, I.' 2
primary 'Lorch, J.M.' 3
primary 'Forest, K.T.' 4
primary 'Lan, Q.' 5
#
_cell.length_a 63.0
_cell.length_b 63.0
_cell.length_c 67.8
_cell.angle_alpha 90.000
_cell.angle_beta 90.000
_cell.angle_gamma 120.000
_cell.entry_id 3BKR
_cell.pdbx_unique_axis ?
_cell.Z_PDB 6
_cell.length_a_esd ?
_cell.length_b_esd ?
_cell.length_c_esd ?
_cell.angle_alpha_esd ?
_cell.angle_beta_esd ?
_cell.angle_gamma_esd ?
#
_symmetry.space_group_name_H-M 'P 32 2 1'
_symmetry.entry_id 3BKR
_symmetry.Int_Tables_number 154
_symmetry.pdbx_full_space_group_name_H-M ?
_symmetry.cell_setting ?
_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 'Sterol Carrier Protein-2 like-3' 14181.137 1 ? ? ? ?
2 non-polymer syn 'PALMITIC ACID' 256.424 1 ? ? ? ?
3 water nat water 18.015 168 ? ? ? ?
#
_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
;GSPGIRMALKTDQILDKLNEKLAQVDRSKRSFTVILFVHLRQEGKVVRSVVLDFNDLKISEIELAVTSTADYPAERIDAS
ITIDDNDFYLVATKETSFAALIEQGKVDITGNKQAFLTLDEKFRNK
;
_entity_poly.pdbx_seq_one_letter_code_can
;GSPGIRMALKTDQILDKLNEKLAQVDRSKRSFTVILFVHLRQEGKVVRSVVLDFNDLKISEIELAVTSTADYPAERIDAS
ITIDDNDFYLVATKETSFAALIEQGKVDITGNKQAFLTLDEKFRNK
;
_entity_poly.pdbx_strand_id A
_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 GLY n
1 2 SER n
1 3 PRO n
1 4 GLY n
1 5 ILE n
1 6 ARG n
1 7 MET n
1 8 ALA n
1 9 LEU n
1 10 LYS n
1 11 THR n
1 12 ASP n
1 13 GLN n
1 14 ILE n
1 15 LEU n
1 16 ASP n
1 17 LYS n
1 18 LEU n
1 19 ASN n
1 20 GLU n
1 21 LYS n
1 22 LEU n
1 23 ALA n
1 24 GLN n
1 25 VAL n
1 26 ASP n
1 27 ARG n
1 28 SER n
1 29 LYS n
1 30 ARG n
1 31 SER n
1 32 PHE n
1 33 THR n
1 34 VAL n
1 35 ILE n
1 36 LEU n
1 37 PHE n
1 38 VAL n
1 39 HIS n
1 40 LEU n
1 41 ARG n
1 42 GLN n
1 43 GLU n
1 44 GLY n
1 45 LYS n
1 46 VAL n
1 47 VAL n
1 48 ARG n
1 49 SER n
1 50 VAL n
1 51 VAL n
1 52 LEU n
1 53 ASP n
1 54 PHE n
1 55 ASN n
1 56 ASP n
1 57 LEU n
1 58 LYS n
1 59 ILE n
1 60 SER n
1 61 GLU n
1 62 ILE n
1 63 GLU n
1 64 LEU n
1 65 ALA n
1 66 VAL n
1 67 THR n
1 68 SER n
1 69 THR n
1 70 ALA n
1 71 ASP n
1 72 TYR n
1 73 PRO n
1 74 ALA n
1 75 GLU n
1 76 ARG n
1 77 ILE n
1 78 ASP n
1 79 ALA n
1 80 SER n
1 81 ILE n
1 82 THR n
1 83 ILE n
1 84 ASP n
1 85 ASP n
1 86 ASN n
1 87 ASP n
1 88 PHE n
1 89 TYR n
1 90 LEU n
1 91 VAL n
1 92 ALA n
1 93 THR n
1 94 LYS n
1 95 GLU n
1 96 THR n
1 97 SER n
1 98 PHE n
1 99 ALA n
1 100 ALA n
1 101 LEU n
1 102 ILE n
1 103 GLU n
1 104 GLN n
1 105 GLY n
1 106 LYS n
1 107 VAL n
1 108 ASP n
1 109 ILE n
1 110 THR n
1 111 GLY n
1 112 ASN n
1 113 LYS n
1 114 GLN n
1 115 ALA n
1 116 PHE n
1 117 LEU n
1 118 THR n
1 119 LEU n
1 120 ASP n
1 121 GLU n
1 122 LYS n
1 123 PHE n
1 124 ARG n
1 125 ASN n
1 126 LYS 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 'Yellowfever mosquito'
_entity_src_gen.gene_src_genus ?
_entity_src_gen.pdbx_gene_src_gene AaeL_AAEL012704
_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 'Aedes aegypti'
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 7159
_entity_src_gen.pdbx_gene_src_variant ?
_entity_src_gen.pdbx_gene_src_cell_line ?
_entity_src_gen.pdbx_gene_src_atcc ?
_entity_src_gen.pdbx_gene_src_organ ?
_entity_src_gen.pdbx_gene_src_organelle ?
_entity_src_gen.pdbx_gene_src_cell ?
_entity_src_gen.pdbx_gene_src_cellular_location ?
_entity_src_gen.host_org_common_name ?
_entity_src_gen.pdbx_host_org_scientific_name 'Escherichia coli'
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 562
_entity_src_gen.host_org_genus ?
_entity_src_gen.pdbx_host_org_gene ?
_entity_src_gen.pdbx_host_org_organ ?
_entity_src_gen.host_org_species ?
_entity_src_gen.pdbx_host_org_tissue ?
_entity_src_gen.pdbx_host_org_tissue_fraction ?
_entity_src_gen.pdbx_host_org_strain BL21
_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 Plasmid
_entity_src_gen.pdbx_host_org_vector ?
_entity_src_gen.host_org_details ?
_entity_src_gen.expression_system_id ?
_entity_src_gen.plasmid_name pGEX-4T-2
_entity_src_gen.plasmid_details ?
_entity_src_gen.pdbx_description ?
#
_struct_ref.id 1
_struct_ref.db_name UNP
_struct_ref.db_code Q16LC3_AEDAE
_struct_ref.pdbx_db_accession Q16LC3
_struct_ref.entity_id 1
_struct_ref.pdbx_seq_one_letter_code
;MALKTDQILDKLNEKLAQVDRSKRSFTVILFVHLRQEGKVVRSVVLDFNDLKISEIELAVTSTADYPAERIDASITIDDN
DFYLVATKETSFAALIEQGKVDITGNKQAFITLDEKFRNK
;
_struct_ref.pdbx_align_begin 1
_struct_ref.pdbx_db_isoform ?
#
_struct_ref_seq.align_id 1
_struct_ref_seq.ref_id 1
_struct_ref_seq.pdbx_PDB_id_code 3BKR
_struct_ref_seq.pdbx_strand_id A
_struct_ref_seq.seq_align_beg 7
_struct_ref_seq.pdbx_seq_align_beg_ins_code ?
_struct_ref_seq.seq_align_end 126
_struct_ref_seq.pdbx_seq_align_end_ins_code ?
_struct_ref_seq.pdbx_db_accession Q16LC3
_struct_ref_seq.db_align_beg 1
_struct_ref_seq.pdbx_db_align_beg_ins_code ?
_struct_ref_seq.db_align_end 120
_struct_ref_seq.pdbx_db_align_end_ins_code ?
_struct_ref_seq.pdbx_auth_seq_align_beg 1
_struct_ref_seq.pdbx_auth_seq_align_end 120
#
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 3BKR GLY A 1 ? UNP Q16LC3 ? ? 'EXPRESSION TAG' -5 1
1 3BKR SER A 2 ? UNP Q16LC3 ? ? 'EXPRESSION TAG' -4 2
1 3BKR PRO A 3 ? UNP Q16LC3 ? ? 'EXPRESSION TAG' -3 3
1 3BKR GLY A 4 ? UNP Q16LC3 ? ? 'EXPRESSION TAG' -2 4
1 3BKR ILE A 5 ? UNP Q16LC3 ? ? 'EXPRESSION TAG' -1 5
1 3BKR ARG A 6 ? UNP Q16LC3 ? ? 'EXPRESSION TAG' 0 6
1 3BKR LEU A 117 ? UNP Q16LC3 ILE 111 CONFLICT 111 7
#
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
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
PLM non-polymer . 'PALMITIC ACID' ? 'C16 H32 O2' 256.424
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
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.crystals_number 1
_exptl.entry_id 3BKR
_exptl.method 'X-RAY DIFFRACTION'
#
_exptl_crystal.id 1
_exptl_crystal.density_Matthews 2.74
_exptl_crystal.density_meas ?
_exptl_crystal.density_percent_sol 55.09
_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.pH 7.5
_exptl_crystal_grow.temp 296
_exptl_crystal_grow.temp_details ?
_exptl_crystal_grow.pdbx_details
;2 microl protein at 10mg/ml was mixed with 2microl mother liquor consisting of 25% Peg 8000, 200mM AmSO4, 200mM AmF, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 296K
;
_exptl_crystal_grow.pdbx_pH_range ?
#
_diffrn.id 1
_diffrn.ambient_temp 93
_diffrn.ambient_temp_details ?
_diffrn.crystal_id 1
#
_diffrn_detector.diffrn_id 1
_diffrn_detector.detector CCD
_diffrn_detector.type 'MARMOSAIC 225 mm CCD'
_diffrn_detector.pdbx_collection_date 2006-10-28
_diffrn_detector.details ?
#
_diffrn_radiation.diffrn_id 1
_diffrn_radiation.wavelength_id 1
_diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH'
_diffrn_radiation.monochromator 'Si(111) crystal monochromator'
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l M
_diffrn_radiation.pdbx_scattering_type x-ray
#
_diffrn_radiation_wavelength.id 1
_diffrn_radiation_wavelength.wavelength 0.90
_diffrn_radiation_wavelength.wt 1.0
#
_diffrn_source.diffrn_id 1
_diffrn_source.source SYNCHROTRON
_diffrn_source.type 'APS BEAMLINE 21-ID-D'
_diffrn_source.pdbx_wavelength ?
_diffrn_source.pdbx_wavelength_list 0.90
_diffrn_source.pdbx_synchrotron_site APS
_diffrn_source.pdbx_synchrotron_beamline 21-ID-D
#
_reflns.entry_id 3BKR
_reflns.observed_criterion_sigma_F ?
_reflns.observed_criterion_sigma_I ?
_reflns.d_resolution_high 1.4
_reflns.d_resolution_low 25
_reflns.number_all ?
_reflns.number_obs 30511
_reflns.percent_possible_obs 98.3
_reflns.pdbx_Rmerge_I_obs ?
_reflns.pdbx_Rsym_value 0.062
_reflns.pdbx_netI_over_sigmaI 23.3
_reflns.B_iso_Wilson_estimate 14.8
_reflns.pdbx_redundancy 7.4
_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_diffrn_id 1
_reflns.pdbx_ordinal 1
#
_reflns_shell.d_res_high 1.40
_reflns_shell.d_res_low 1.45
_reflns_shell.percent_possible_obs ?
_reflns_shell.percent_possible_all 96.9
_reflns_shell.Rmerge_I_obs ?
_reflns_shell.meanI_over_sigI_obs 6.2
_reflns_shell.pdbx_Rsym_value 0.30
_reflns_shell.pdbx_redundancy 6.9
_reflns_shell.number_unique_all 2946
_reflns_shell.number_measured_all ?
_reflns_shell.number_measured_obs ?
_reflns_shell.number_unique_obs ?
_reflns_shell.pdbx_chi_squared ?
_reflns_shell.pdbx_diffrn_id ?
_reflns_shell.pdbx_ordinal 1
#
_refine.entry_id 3BKR
_refine.ls_d_res_high 1.400
_refine.ls_d_res_low 25.000
_refine.pdbx_ls_sigma_F 0.00
_refine.ls_percent_reflns_obs 98.330
_refine.ls_number_reflns_obs 30499
_refine.pdbx_ls_cross_valid_method THROUGHOUT
_refine.pdbx_R_Free_selection_details RANDOM
_refine.details ?
_refine.ls_R_factor_obs 0.188
_refine.ls_R_factor_R_work 0.186
_refine.ls_R_factor_R_free 0.219
_refine.ls_percent_reflns_R_free 5.000
_refine.ls_number_reflns_R_free 1539
_refine.B_iso_mean 17.419
_refine.aniso_B[1][1] -0.010
_refine.aniso_B[2][2] -0.010
_refine.aniso_B[3][3] 0.020
_refine.aniso_B[1][2] -0.010
_refine.aniso_B[1][3] 0.000
_refine.aniso_B[2][3] 0.000
_refine.correlation_coeff_Fo_to_Fc 0.963
_refine.correlation_coeff_Fo_to_Fc_free 0.950
_refine.pdbx_overall_ESU_R 0.058
_refine.pdbx_overall_ESU_R_Free 0.063
_refine.overall_SU_ML 0.037
_refine.overall_SU_B 0.910
_refine.solvent_model_details 'BABINET MODEL WITH MASK'
_refine.pdbx_solvent_vdw_probe_radii 1.400
_refine.pdbx_solvent_ion_probe_radii 0.800
_refine.pdbx_solvent_shrinkage_radii 0.800
_refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT'
_refine.pdbx_stereochemistry_target_values 'MAXIMUM LIKELIHOOD'
_refine.pdbx_ls_sigma_I ?
_refine.ls_number_reflns_all 32038
_refine.ls_R_factor_all ?
_refine.ls_redundancy_reflns_obs ?
_refine.pdbx_data_cutoff_high_absF ?
_refine.pdbx_data_cutoff_low_absF ?
_refine.ls_number_parameters ?
_refine.ls_number_restraints ?
_refine.ls_R_factor_R_free_error ?
_refine.ls_R_factor_R_free_error_details ?
_refine.pdbx_starting_model 'Polyalanine model derived from 1PZ4'
_refine.pdbx_stereochem_target_val_spec_case ?
_refine.solvent_model_param_bsol ?
_refine.solvent_model_param_ksol ?
_refine.occupancy_max ?
_refine.occupancy_min ?
_refine.pdbx_isotropic_thermal_model ?
_refine.B_iso_min ?
_refine.B_iso_max ?
_refine.overall_SU_R_Cruickshank_DPI ?
_refine.overall_SU_R_free ?
_refine.pdbx_data_cutoff_high_rms_absF ?
_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_overall_phase_error ?
_refine.pdbx_refine_id 'X-RAY DIFFRACTION'
_refine.pdbx_diffrn_id 1
_refine.pdbx_TLS_residual_ADP_flag ?
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI ?
_refine.pdbx_overall_SU_R_Blow_DPI ?
_refine.pdbx_overall_SU_R_free_Blow_DPI ?
#
_refine_analyze.entry_id 3BKR
_refine_analyze.Luzzati_coordinate_error_obs 0.058
_refine_analyze.Luzzati_sigma_a_obs ?
_refine_analyze.Luzzati_d_res_low_obs ?
_refine_analyze.Luzzati_coordinate_error_free 0.063
_refine_analyze.Luzzati_sigma_a_free ?
_refine_analyze.Luzzati_d_res_low_free ?
_refine_analyze.number_disordered_residues ?
_refine_analyze.occupancy_sum_non_hydrogen ?
_refine_analyze.occupancy_sum_hydrogen ?
_refine_analyze.pdbx_Luzzati_d_res_high_obs ?
_refine_analyze.pdbx_refine_id 'X-RAY DIFFRACTION'
#
_refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION'
_refine_hist.cycle_id LAST
_refine_hist.pdbx_number_atoms_protein 974
_refine_hist.pdbx_number_atoms_nucleic_acid 0
_refine_hist.pdbx_number_atoms_ligand 18
_refine_hist.number_atoms_solvent 168
_refine_hist.number_atoms_total 1160
_refine_hist.d_res_high 1.400
_refine_hist.d_res_low 25.000
#
loop_
_refine_ls_restr.type
_refine_ls_restr.number
_refine_ls_restr.dev_ideal
_refine_ls_restr.dev_ideal_target
_refine_ls_restr.weight
_refine_ls_restr.pdbx_refine_id
_refine_ls_restr.pdbx_restraint_function
r_bond_refined_d 1001 0.009 0.022 ? 'X-RAY DIFFRACTION' ?
r_angle_refined_deg 1346 1.185 1.982 ? 'X-RAY DIFFRACTION' ?
r_dihedral_angle_1_deg 118 5.468 5.000 ? 'X-RAY DIFFRACTION' ?
r_dihedral_angle_2_deg 49 31.292 25.102 ? 'X-RAY DIFFRACTION' ?
r_dihedral_angle_3_deg 195 12.005 15.000 ? 'X-RAY DIFFRACTION' ?
r_dihedral_angle_4_deg 7 19.924 15.000 ? 'X-RAY DIFFRACTION' ?
r_chiral_restr 165 0.079 0.200 ? 'X-RAY DIFFRACTION' ?
r_gen_planes_refined 714 0.004 0.020 ? 'X-RAY DIFFRACTION' ?
r_nbd_refined 445 0.220 0.300 ? 'X-RAY DIFFRACTION' ?
r_nbtor_refined 718 0.317 0.500 ? 'X-RAY DIFFRACTION' ?
r_xyhbond_nbd_refined 211 0.162 0.500 ? 'X-RAY DIFFRACTION' ?
r_symmetry_vdw_refined 45 0.206 0.300 ? 'X-RAY DIFFRACTION' ?
r_symmetry_hbond_refined 56 0.187 0.500 ? 'X-RAY DIFFRACTION' ?
r_mcbond_it 610 1.131 2.000 ? 'X-RAY DIFFRACTION' ?
r_mcangle_it 981 1.805 3.000 ? 'X-RAY DIFFRACTION' ?
r_scbond_it 419 1.390 2.000 ? 'X-RAY DIFFRACTION' ?
r_scangle_it 365 2.087 3.000 ? 'X-RAY DIFFRACTION' ?
#
_refine_ls_shell.d_res_high 1.40
_refine_ls_shell.d_res_low 1.437
_refine_ls_shell.pdbx_total_number_of_bins_used 20
_refine_ls_shell.percent_reflns_obs 96.810
_refine_ls_shell.number_reflns_R_work 2034
_refine_ls_shell.R_factor_all ?
_refine_ls_shell.R_factor_R_work 0.214
_refine_ls_shell.R_factor_R_free 0.251
_refine_ls_shell.percent_reflns_R_free ?
_refine_ls_shell.number_reflns_R_free 120
_refine_ls_shell.R_factor_R_free_error ?
_refine_ls_shell.number_reflns_all 2154
_refine_ls_shell.number_reflns_obs 2034
_refine_ls_shell.redundancy_reflns_obs ?
_refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION'
#
_struct.entry_id 3BKR
_struct.title 'Crystal Structure of Sterol Carrier Protein-2 like-3 (SCP2-L3) from Aedes Aegypti'
_struct.pdbx_descriptor 'Sterol Carrier Protein-2 like-3'
_struct.pdbx_model_details ?
_struct.pdbx_CASP_flag ?
_struct.pdbx_model_type_details ?
#
_struct_keywords.entry_id 3BKR
_struct_keywords.pdbx_keywords 'LIPID BINDING PROTEIN'
_struct_keywords.text 'Sterol Carrier, Mosquito, Fatty Acid, Palmitic acid, cholesterol, LIPID BINDING PROTEIN'
#
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 3 ?
#
_struct_biol.id 1
_struct_biol.details ?
#
loop_
_struct_conf.conf_type_id
_struct_conf.id
_struct_conf.pdbx_PDB_helix_id
_struct_conf.beg_label_comp_id
_struct_conf.beg_label_asym_id
_struct_conf.beg_label_seq_id
_struct_conf.pdbx_beg_PDB_ins_code
_struct_conf.end_label_comp_id
_struct_conf.end_label_asym_id
_struct_conf.end_label_seq_id
_struct_conf.pdbx_end_PDB_ins_code
_struct_conf.beg_auth_comp_id
_struct_conf.beg_auth_asym_id
_struct_conf.beg_auth_seq_id
_struct_conf.end_auth_comp_id
_struct_conf.end_auth_asym_id
_struct_conf.end_auth_seq_id
_struct_conf.pdbx_PDB_helix_class
_struct_conf.details
_struct_conf.pdbx_PDB_helix_length
HELX_P HELX_P1 1 LEU A 9 ? GLN A 13 ? LEU A 3 GLN A 7 5 ? 5
HELX_P HELX_P2 2 ILE A 14 ? VAL A 25 ? ILE A 8 VAL A 19 1 ? 12
HELX_P HELX_P3 3 PRO A 73 ? ILE A 77 ? PRO A 67 ILE A 71 5 ? 5
HELX_P HELX_P4 4 ASP A 85 ? THR A 93 ? ASP A 79 THR A 87 1 ? 9
HELX_P HELX_P5 5 SER A 97 ? GLN A 104 ? SER A 91 GLN A 98 1 ? 8
HELX_P HELX_P6 6 ASN A 112 ? ARG A 124 ? ASN A 106 ARG A 118 1 ? 13
#
_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 5
_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
A 3 4 ? parallel
A 4 5 ? 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 LYS A 58 ? ILE A 62 ? LYS A 52 ILE A 56
A 2 LYS A 45 ? ASP A 53 ? LYS A 39 ASP A 47
A 3 ILE A 35 ? GLN A 42 ? ILE A 29 GLN A 36
A 4 ALA A 79 ? ASP A 84 ? ALA A 73 ASP A 78
A 5 ASP A 108 ? GLY A 111 ? ASP A 102 GLY A 105
#
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 LYS A 58 ? O LYS A 52 N ASP A 53 ? N ASP A 47
A 2 3 O ARG A 48 ? O ARG A 42 N LEU A 40 ? N LEU A 34
A 3 4 N HIS A 39 ? N HIS A 33 O ILE A 81 ? O ILE A 75
A 4 5 N THR A 82 ? N THR A 76 O ASP A 108 ? O ASP A 102
#
_struct_site.id AC1
_struct_site.pdbx_evidence_code Software
_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 5
_struct_site.details 'BINDING SITE FOR RESIDUE PLM A 300'
#
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 ARG A 30 ? ARG A 24 . ? 1_555 ?
2 AC1 5 SER A 31 ? SER A 25 . ? 1_555 ?
3 AC1 5 PHE A 32 ? PHE A 26 . ? 1_555 ?
4 AC1 5 PHE A 54 ? PHE A 48 . ? 1_555 ?
5 AC1 5 HOH C . ? HOH A 397 . ? 1_555 ?
#
_atom_sites.entry_id 3BKR
_atom_sites.fract_transf_matrix[1][1] 0.015875
_atom_sites.fract_transf_matrix[1][2] 0.009165
_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] 0.018330
_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] 0.014750
_atom_sites.fract_transf_vector[1] 0.000000
_atom_sites.fract_transf_vector[2] 0.000000
_atom_sites.fract_transf_vector[3] 0.000000
#
loop_
_atom_type.symbol
C
N
O
#
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 8 ? 12.758 -1.530 3.011 1.00 29.89 ? 2 ALA A N 1
ATOM 2 C CA . ALA A 1 8 ? 13.825 -1.560 4.058 1.00 28.85 ? 2 ALA A CA 1
ATOM 3 C C . ALA A 1 8 ? 14.187 -2.992 4.455 1.00 27.62 ? 2 ALA A C 1
ATOM 4 O O . ALA A 1 8 ? 13.535 -3.602 5.307 1.00 28.37 ? 2 ALA A O 1
ATOM 5 C CB . ALA A 1 8 ? 13.390 -0.777 5.275 1.00 29.79 ? 2 ALA A CB 1
ATOM 6 N N . LEU A 1 9 ? 15.241 -3.517 3.843 1.00 25.69 ? 3 LEU A N 1
ATOM 7 C CA . LEU A 1 9 ? 15.673 -4.878 4.129 1.00 22.71 ? 3 LEU A CA 1
ATOM 8 C C . LEU A 1 9 ? 16.926 -4.869 4.969 1.00 20.37 ? 3 LEU A C 1
ATOM 9 O O . LEU A 1 9 ? 17.751 -3.968 4.861 1.00 19.03 ? 3 LEU A O 1
ATOM 10 C CB . LEU A 1 9 ? 15.965 -5.652 2.838 1.00 24.81 ? 3 LEU A CB 1
ATOM 11 C CG . LEU A 1 9 ? 14.854 -5.913 1.822 1.00 26.36 ? 3 LEU A CG 1
ATOM 12 C CD1 . LEU A 1 9 ? 15.021 -7.294 1.221 1.00 27.52 ? 3 LEU A CD1 1
ATOM 13 C CD2 . LEU A 1 9 ? 13.473 -5.788 2.446 1.00 27.12 ? 3 LEU A CD2 1
ATOM 14 N N . LYS A 1 10 ? 17.086 -5.897 5.791 1.00 18.02 ? 4 LYS A N 1
ATOM 15 C CA . LYS A 1 10 ? 18.332 -6.107 6.495 1.00 17.66 ? 4 LYS A CA 1
ATOM 16 C C . LYS A 1 10 ? 19.487 -6.202 5.490 1.00 16.48 ? 4 LYS A C 1
ATOM 17 O O . LYS A 1 10 ? 20.587 -5.707 5.731 1.00 16.09 ? 4 LYS A O 1
ATOM 18 C CB . LYS A 1 10 ? 18.250 -7.379 7.331 1.00 18.31 ? 4 LYS A CB 1
ATOM 19 C CG . LYS A 1 10 ? 19.504 -7.707 8.078 1.00 20.20 ? 4 LYS A CG 1
ATOM 20 C CD . LYS A 1 10 ? 19.783 -6.660 9.138 1.00 21.42 ? 4 LYS A CD 1
ATOM 21 C CE . LYS A 1 10 ? 20.971 -7.069 9.969 1.00 22.77 ? 4 LYS A CE 1
ATOM 22 N NZ . LYS A 1 10 ? 21.304 -6.029 10.987 1.00 23.84 ? 4 LYS A NZ 1
ATOM 23 N N . THR A 1 11 ? 19.218 -6.858 4.364 1.00 15.72 ? 5 THR A N 1
ATOM 24 C CA . THR A 1 11 ? 20.184 -7.017 3.282 1.00 16.02 ? 5 THR A CA 1
ATOM 25 C C . THR A 1 11 ? 20.733 -5.674 2.761 1.00 16.39 ? 5 THR A C 1
ATOM 26 O O . THR A 1 11 ? 21.871 -5.602 2.306 1.00 15.85 ? 5 THR A O 1
ATOM 27 C CB . THR A 1 11 ? 19.566 -7.875 2.165 1.00 15.23 ? 5 THR A CB 1
ATOM 28 O OG1 . THR A 1 11 ? 19.481 -9.234 2.631 1.00 14.98 ? 5 THR A OG1 1
ATOM 29 C CG2 . THR A 1 11 ? 20.406 -7.839 0.903 1.00 15.50 ? 5 THR A CG2 1
ATOM 30 N N . ASP A 1 12 ? 19.947 -4.605 2.882 1.00 17.15 ? 6 ASP A N 1
ATOM 31 C CA . ASP A 1 12 ? 20.425 -3.277 2.476 1.00 18.91 ? 6 ASP A CA 1
ATOM 32 C C . ASP A 1 12 ? 21.710 -2.881 3.185 1.00 19.13 ? 6 ASP A C 1
ATOM 33 O O . ASP A 1 12 ? 22.513 -2.145 2.644 1.00 19.90 ? 6 ASP A O 1
ATOM 34 C CB . ASP A 1 12 ? 19.353 -2.212 2.711 1.00 20.73 ? 6 ASP A CB 1
ATOM 35 C CG . ASP A 1 12 ? 18.214 -2.308 1.722 1.00 22.49 ? 6 ASP A CG 1
ATOM 36 O OD1 . ASP A 1 12 ? 18.453 -2.776 0.584 1.00 24.66 ? 6 ASP A OD1 1
ATOM 37 O OD2 . ASP A 1 12 ? 17.083 -1.910 2.071 1.00 24.85 ? 6 ASP A OD2 1
ATOM 38 N N . GLN A 1 13 ? 21.915 -3.387 4.393 1.00 17.45 ? 7 GLN A N 1
ATOM 39 C CA . GLN A 1 13 ? 23.085 -3.025 5.184 1.00 18.46 ? 7 GLN A CA 1
ATOM 40 C C . GLN A 1 13 ? 24.398 -3.619 4.683 1.00 17.32 ? 7 GLN A C 1
ATOM 41 O O . GLN A 1 13 ? 25.474 -3.215 5.112 1.00 18.83 ? 7 GLN A O 1
ATOM 42 C CB . GLN A 1 13 ? 22.866 -3.412 6.647 1.00 19.84 ? 7 GLN A CB 1
ATOM 43 C CG . GLN A 1 13 ? 21.730 -2.647 7.287 1.00 22.03 ? 7 GLN A CG 1
ATOM 44 C CD . GLN A 1 13 ? 21.390 -3.158 8.669 1.00 23.07 ? 7 GLN A CD 1
ATOM 45 O OE1 . GLN A 1 13 ? 22.249 -3.681 9.383 1.00 24.07 ? 7 GLN A OE1 1
ATOM 46 N NE2 . GLN A 1 13 ? 20.128 -3.017 9.051 1.00 24.00 ? 7 GLN A NE2 1
ATOM 47 N N . ILE A 1 14 ? 24.323 -4.598 3.779 1.00 15.58 ? 8 ILE A N 1
ATOM 48 C CA . ILE A 1 14 ? 25.544 -5.244 3.314 1.00 15.22 ? 8 ILE A CA 1
ATOM 49 C C . ILE A 1 14 ? 25.817 -5.017 1.813 1.00 14.10 ? 8 ILE A C 1
ATOM 50 O O . ILE A 1 14 ? 26.874 -5.379 1.314 1.00 14.30 ? 8 ILE A O 1
ATOM 51 C CB . ILE A 1 14 ? 25.533 -6.774 3.651 1.00 14.79 ? 8 ILE A CB 1
ATOM 52 C CG1 . ILE A 1 14 ? 26.954 -7.343 3.682 1.00 15.45 ? 8 ILE A CG1 1
ATOM 53 C CG2 . ILE A 1 14 ? 24.588 -7.544 2.704 1.00 15.21 ? 8 ILE A CG2 1
ATOM 54 C CD1 . ILE A 1 14 ? 27.886 -6.656 4.667 1.00 15.49 ? 8 ILE A CD1 1
ATOM 55 N N . LEU A 1 15 ? 24.879 -4.386 1.123 1.00 14.58 ? 9 LEU A N 1
ATOM 56 C CA . LEU A 1 15 ? 25.017 -4.184 -0.323 1.00 16.10 ? 9 LEU A CA 1
ATOM 57 C C . LEU A 1 15 ? 26.254 -3.378 -0.707 1.00 16.81 ? 9 LEU A C 1
ATOM 58 O O . LEU A 1 15 ? 26.920 -3.697 -1.684 1.00 16.21 ? 9 LEU A O 1
ATOM 59 C CB . LEU A 1 15 ? 23.745 -3.593 -0.929 1.00 17.29 ? 9 LEU A CB 1
ATOM 60 C CG . LEU A 1 15 ? 22.545 -4.548 -0.880 1.00 18.52 ? 9 LEU A CG 1
ATOM 61 C CD1 . LEU A 1 15 ? 21.304 -3.916 -1.506 1.00 19.61 ? 9 LEU A CD1 1
ATOM 62 C CD2 . LEU A 1 15 ? 22.882 -5.887 -1.552 1.00 19.70 ? 9 LEU A CD2 1
ATOM 63 N N . ASP A 1 16 ? 26.580 -2.339 0.066 1.00 15.38 ? 10 ASP A N 1
ATOM 64 C CA . ASP A 1 16 ? 27.779 -1.553 -0.236 1.00 16.14 ? 10 ASP A CA 1
ATOM 65 C C . ASP A 1 16 ? 29.033 -2.405 -0.176 1.00 14.90 ? 10 ASP A C 1
ATOM 66 O O . ASP A 1 16 ? 29.877 -2.332 -1.059 1.00 14.67 ? 10 ASP A O 1
ATOM 67 C CB . ASP A 1 16 ? 27.921 -0.349 0.704 1.00 17.26 ? 10 ASP A CB 1
ATOM 68 C CG . ASP A 1 16 ? 26.947 0.776 0.379 1.00 18.22 ? 10 ASP A CG 1
ATOM 69 O OD1 . ASP A 1 16 ? 26.390 0.826 -0.745 1.00 19.64 ? 10 ASP A OD1 1
ATOM 70 O OD2 . ASP A 1 16 ? 26.769 1.645 1.267 1.00 21.71 ? 10 ASP A OD2 1
ATOM 71 N N . LYS A 1 17 ? 29.169 -3.228 0.867 1.00 14.93 ? 11 LYS A N 1
ATOM 72 C CA . LYS A 1 17 ? 30.350 -4.073 0.992 1.00 14.79 ? 11 LYS A CA 1
ATOM 73 C C . LYS A 1 17 ? 30.434 -5.093 -0.154 1.00 12.22 ? 11 LYS A C 1
ATOM 74 O O . LYS A 1 17 ? 31.517 -5.359 -0.665 1.00 13.51 ? 11 LYS A O 1
ATOM 75 C CB . LYS A 1 17 ? 30.383 -4.796 2.354 1.00 16.13 ? 11 LYS A CB 1
ATOM 76 C CG . LYS A 1 17 ? 31.720 -5.494 2.706 1.00 16.94 ? 11 LYS A CG 1
ATOM 77 C CD . LYS A 1 17 ? 32.723 -4.629 3.491 1.00 18.60 ? 11 LYS A CD 1
ATOM 78 C CE . LYS A 1 17 ? 33.901 -5.500 3.995 1.00 18.04 ? 11 LYS A CE 1
ATOM 79 N NZ . LYS A 1 17 ? 34.984 -4.750 4.762 1.00 18.03 ? 11 LYS A NZ 1
ATOM 80 N N . LEU A 1 18 ? 29.285 -5.658 -0.539 1.00 13.05 ? 12 LEU A N 1
ATOM 81 C CA . LEU A 1 18 ? 29.298 -6.590 -1.670 1.00 12.71 ? 12 LEU A CA 1
ATOM 82 C C . LEU A 1 18 ? 29.734 -5.903 -2.962 1.00 11.82 ? 12 LEU A C 1
ATOM 83 O O . LEU A 1 18 ? 30.495 -6.461 -3.738 1.00 12.36 ? 12 LEU A O 1
ATOM 84 C CB . LEU A 1 18 ? 27.930 -7.242 -1.856 1.00 13.14 ? 12 LEU A CB 1
ATOM 85 C CG . LEU A 1 18 ? 27.415 -8.082 -0.680 1.00 13.07 ? 12 LEU A CG 1
ATOM 86 C CD1 . LEU A 1 18 ? 26.102 -8.721 -1.060 1.00 13.25 ? 12 LEU A CD1 1
ATOM 87 C CD2 . LEU A 1 18 ? 28.434 -9.143 -0.263 1.00 13.67 ? 12 LEU A CD2 1
ATOM 88 N N . ASN A 1 19 ? 29.285 -4.665 -3.143 1.00 13.20 ? 13 ASN A N 1
ATOM 89 C CA . ASN A 1 19 ? 29.676 -3.892 -4.314 1.00 13.13 ? 13 ASN A CA 1
ATOM 90 C C . ASN A 1 19 ? 31.153 -3.587 -4.318 1.00 12.45 ? 13 ASN A C 1
ATOM 91 O O . ASN A 1 19 ? 31.786 -3.572 -5.356 1.00 13.18 ? 13 ASN A O 1
ATOM 92 C CB . ASN A 1 19 ? 28.855 -2.617 -4.397 1.00 14.11 ? 13 ASN A CB 1
ATOM 93 C CG . ASN A 1 19 ? 27.510 -2.842 -5.042 1.00 15.11 ? 13 ASN A CG 1
ATOM 94 O OD1 . ASN A 1 19 ? 27.266 -3.897 -5.647 1.00 15.96 ? 13 ASN A OD1 1
ATOM 95 N ND2 . ASN A 1 19 ? 26.625 -1.868 -4.918 1.00 16.65 ? 13 ASN A ND2 1
ATOM 96 N N . GLU A 1 20 ? 31.708 -3.394 -3.126 1.00 13.49 ? 14 GLU A N 1
ATOM 97 C CA . GLU A 1 20 ? 33.128 -3.193 -2.967 1.00 15.48 ? 14 GLU A CA 1
ATOM 98 C C . GLU A 1 20 ? 33.900 -4.463 -3.377 1.00 13.94 ? 14 GLU A C 1
ATOM 99 O O . GLU A 1 20 ? 34.886 -4.414 -4.100 1.00 15.61 ? 14 GLU A O 1
ATOM 100 C CB . GLU A 1 20 ? 33.354 -2.796 -1.502 1.00 17.33 ? 14 GLU A CB 1
ATOM 101 C CG . GLU A 1 20 ? 34.726 -2.381 -1.117 1.00 19.23 ? 14 GLU A CG 1
ATOM 102 C CD . GLU A 1 20 ? 34.872 -2.252 0.401 1.00 17.49 ? 14 GLU A CD 1
ATOM 103 O OE1 . GLU A 1 20 ? 33.855 -2.146 1.114 1.00 20.89 ? 14 GLU A OE1 1
ATOM 104 O OE2 . GLU A 1 20 ? 36.018 -2.223 0.847 1.00 22.87 ? 14 GLU A OE2 1
ATOM 105 N N . LYS A 1 21 ? 33.422 -5.627 -2.938 1.00 14.20 ? 15 LYS A N 1
ATOM 106 C CA . LYS A 1 21 ? 34.084 -6.857 -3.344 1.00 13.67 ? 15 LYS A CA 1
ATOM 107 C C . LYS A 1 21 ? 33.988 -7.072 -4.861 1.00 13.07 ? 15 LYS A C 1
ATOM 108 O O . LYS A 1 21 ? 34.942 -7.507 -5.503 1.00 13.05 ? 15 LYS A O 1
ATOM 109 C CB . LYS A 1 21 ? 33.480 -8.059 -2.612 1.00 14.65 ? 15 LYS A CB 1
ATOM 110 C CG . LYS A 1 21 ? 33.621 -8.006 -1.100 1.00 14.28 ? 15 LYS A CG 1
ATOM 111 C CD . LYS A 1 21 ? 32.889 -9.205 -0.477 1.00 14.12 ? 15 LYS A CD 1
ATOM 112 C CE . LYS A 1 21 ? 32.910 -9.158 1.055 1.00 14.42 ? 15 LYS A CE 1
ATOM 113 N NZ . LYS A 1 21 ? 34.263 -9.405 1.669 1.00 14.04 ? 15 LYS A NZ 1
ATOM 114 N N . LEU A 1 22 ? 32.820 -6.780 -5.429 1.00 11.88 ? 16 LEU A N 1
ATOM 115 C CA . LEU A 1 22 ? 32.674 -6.922 -6.880 1.00 12.84 ? 16 LEU A CA 1
ATOM 116 C C . LEU A 1 22 ? 33.652 -6.035 -7.665 1.00 13.39 ? 16 LEU A C 1
ATOM 117 O O . LEU A 1 22 ? 34.195 -6.447 -8.697 1.00 13.78 ? 16 LEU A O 1
ATOM 118 C CB . LEU A 1 22 ? 31.237 -6.639 -7.304 1.00 12.41 ? 16 LEU A CB 1
ATOM 119 C CG . LEU A 1 22 ? 30.233 -7.739 -6.936 1.00 12.08 ? 16 LEU A CG 1
ATOM 120 C CD1 . LEU A 1 22 ? 28.826 -7.223 -7.044 1.00 13.03 ? 16 LEU A CD1 1
ATOM 121 C CD2 . LEU A 1 22 ? 30.431 -8.978 -7.835 1.00 13.08 ? 16 LEU A CD2 1
ATOM 122 N N . ALA A 1 23 ? 33.860 -4.821 -7.160 1.00 13.61 ? 17 ALA A N 1
ATOM 123 C CA . ALA A 1 23 ? 34.752 -3.855 -7.800 1.00 14.75 ? 17 ALA A CA 1
ATOM 124 C C . ALA A 1 23 ? 36.199 -4.335 -7.802 1.00 15.85 ? 17 ALA A C 1
ATOM 125 O O . ALA A 1 23 ? 37.008 -3.935 -8.649 1.00 16.90 ? 17 ALA A O 1
ATOM 126 C CB . ALA A 1 23 ? 34.644 -2.521 -7.103 1.00 15.00 ? 17 ALA A CB 1
ATOM 127 N N . GLN A 1 24 ? 36.520 -5.214 -6.859 1.00 16.37 ? 18 GLN A N 1
ATOM 128 C CA . GLN A 1 24 ? 37.876 -5.731 -6.717 1.00 18.69 ? 18 GLN A CA 1
ATOM 129 C C . GLN A 1 24 ? 38.162 -6.957 -7.591 1.00 19.48 ? 18 GLN A C 1
ATOM 130 O O . GLN A 1 24 ? 39.314 -7.375 -7.755 1.00 21.16 ? 18 GLN A O 1
ATOM 131 C CB . GLN A 1 24 ? 38.173 -6.015 -5.236 1.00 20.18 ? 18 GLN A CB 1
ATOM 132 C CG . GLN A 1 24 ? 38.267 -4.747 -4.406 1.00 21.88 ? 18 GLN A CG 1
ATOM 133 C CD . GLN A 1 24 ? 39.250 -3.759 -4.995 1.00 24.11 ? 18 GLN A CD 1
ATOM 134 O OE1 . GLN A 1 24 ? 38.877 -2.650 -5.376 1.00 25.30 ? 18 GLN A OE1 1
ATOM 135 N NE2 . GLN A 1 24 ? 40.503 -4.175 -5.118 1.00 25.33 ? 18 GLN A NE2 1
ATOM 136 N N . VAL A 1 25 ? 37.119 -7.534 -8.180 1.00 19.03 ? 19 VAL A N 1
ATOM 137 C CA . VAL A 1 25 ? 37.313 -8.726 -8.991 1.00 19.47 ? 19 VAL A CA 1
ATOM 138 C C . VAL A 1 25 ? 38.108 -8.403 -10.257 1.00 21.39 ? 19 VAL A C 1
ATOM 139 O O . VAL A 1 25 ? 37.846 -7.407 -10.935 1.00 20.83 ? 19 VAL A O 1
ATOM 140 C CB . VAL A 1 25 ? 35.945 -9.380 -9.351 1.00 18.94 ? 19 VAL A CB 1
ATOM 141 C CG1 . VAL A 1 25 ? 36.130 -10.551 -10.300 1.00 18.61 ? 19 VAL A CG1 1
ATOM 142 C CG2 . VAL A 1 25 ? 35.203 -9.812 -8.083 1.00 19.31 ? 19 VAL A CG2 1
ATOM 143 N N . ASP A 1 26 ? 39.079 -9.252 -10.577 1.00 23.88 ? 20 ASP A N 1
ATOM 144 C CA . ASP A 1 26 ? 39.862 -9.101 -11.799 1.00 26.86 ? 20 ASP A CA 1
ATOM 145 C C . ASP A 1 26 ? 38.953 -9.275 -13.008 1.00 27.99 ? 20 ASP A C 1
ATOM 146 O O . ASP A 1 26 ? 38.212 -10.251 -13.089 1.00 29.59 ? 20 ASP A O 1
ATOM 147 C CB . ASP A 1 26 ? 40.980 -10.152 -11.821 1.00 28.35 ? 20 ASP A CB 1
ATOM 148 C CG . ASP A 1 26 ? 41.912 -10.009 -13.019 1.00 29.93 ? 20 ASP A CG 1
ATOM 149 O OD1 . ASP A 1 26 ? 41.702 -9.106 -13.857 1.00 30.91 ? 20 ASP A OD1 1
ATOM 150 O OD2 . ASP A 1 26 ? 42.859 -10.818 -13.126 1.00 31.71 ? 20 ASP A OD2 1
ATOM 151 N N . ARG A 1 27 ? 39.001 -8.324 -13.936 1.00 28.34 ? 21 ARG A N 1
ATOM 152 C CA . ARG A 1 27 ? 38.207 -8.391 -15.165 1.00 29.17 ? 21 ARG A CA 1
ATOM 153 C C . ARG A 1 27 ? 38.874 -9.198 -16.279 1.00 30.11 ? 21 ARG A C 1
ATOM 154 O O . ARG A 1 27 ? 38.207 -9.625 -17.223 1.00 31.34 ? 21 ARG A O 1
ATOM 155 C CB . ARG A 1 27 ? 37.925 -6.985 -15.696 1.00 28.38 ? 21 ARG A CB 1
ATOM 156 C CG . ARG A 1 27 ? 36.581 -6.416 -15.300 1.00 27.39 ? 21 ARG A CG 1
ATOM 157 C CD . ARG A 1 27 ? 36.471 -6.245 -13.803 1.00 25.86 ? 21 ARG A CD 1
ATOM 158 N NE . ARG A 1 27 ? 35.198 -5.639 -13.435 1.00 24.49 ? 21 ARG A NE 1
ATOM 159 C CZ . ARG A 1 27 ? 34.767 -5.503 -12.187 1.00 22.59 ? 21 ARG A CZ 1
ATOM 160 N NH1 . ARG A 1 27 ? 33.596 -4.931 -11.962 1.00 22.59 ? 21 ARG A NH1 1
ATOM 161 N NH2 . ARG A 1 27 ? 35.504 -5.928 -11.167 1.00 20.66 ? 21 ARG A NH2 1
ATOM 162 N N . SER A 1 28 ? 40.183 -9.402 -16.170 1.00 31.04 ? 22 SER A N 1
ATOM 163 C CA . SER A 1 28 ? 40.957 -9.953 -17.285 1.00 31.42 ? 22 SER A CA 1
ATOM 164 C C . SER A 1 28 ? 40.727 -11.437 -17.528 1.00 31.14 ? 22 SER A C 1
ATOM 165 O O . SER A 1 28 ? 40.796 -11.901 -18.672 1.00 32.11 ? 22 SER A O 1
ATOM 166 C CB . SER A 1 28 ? 42.452 -9.676 -17.097 1.00 31.79 ? 22 SER A CB 1
ATOM 167 O OG . SER A 1 28 ? 42.978 -10.405 -16.003 1.00 32.95 ? 22 SER A OG 1
ATOM 168 N N . LYS A 1 29 ? 40.458 -12.186 -16.464 1.00 29.18 ? 23 LYS A N 1
ATOM 169 C CA . LYS A 1 29 ? 40.329 -13.635 -16.586 1.00 27.91 ? 23 LYS A CA 1
ATOM 170 C C . LYS A 1 29 ? 39.063 -14.140 -15.908 1.00 25.54 ? 23 LYS A C 1
ATOM 171 O O . LYS A 1 29 ? 39.098 -14.626 -14.775 1.00 26.80 ? 23 LYS A O 1
ATOM 172 C CB . LYS A 1 29 ? 41.556 -14.338 -15.998 1.00 29.38 ? 23 LYS A CB 1
ATOM 173 C CG . LYS A 1 29 ? 42.861 -13.986 -16.697 1.00 30.68 ? 23 LYS A CG 1
ATOM 174 C CD . LYS A 1 29 ? 44.005 -14.885 -16.259 1.00 31.82 ? 23 LYS A CD 1
ATOM 175 C CE . LYS A 1 29 ? 44.143 -14.929 -14.751 1.00 32.50 ? 23 LYS A CE 1
ATOM 176 N NZ . LYS A 1 29 ? 45.358 -15.704 -14.359 1.00 33.35 ? 23 LYS A NZ 1
ATOM 177 N N . ARG A 1 30 ? 37.947 -14.035 -16.612 1.00 21.36 ? 24 ARG A N 1
ATOM 178 C CA . ARG A 1 30 ? 36.661 -14.361 -16.006 1.00 18.44 ? 24 ARG A CA 1
ATOM 179 C C . ARG A 1 30 ? 36.374 -15.843 -16.191 1.00 17.57 ? 24 ARG A C 1
ATOM 180 O O . ARG A 1 30 ? 36.519 -16.368 -17.294 1.00 18.93 ? 24 ARG A O 1
ATOM 181 C CB . ARG A 1 30 ? 35.556 -13.505 -16.620 1.00 17.96 ? 24 ARG A CB 1
ATOM 182 C CG . ARG A 1 30 ? 35.777 -11.991 -16.525 1.00 17.33 ? 24 ARG A CG 1
ATOM 183 C CD . ARG A 1 30 ? 35.879 -11.493 -15.077 1.00 17.35 ? 24 ARG A CD 1
ATOM 184 N NE . ARG A 1 30 ? 35.121 -12.336 -14.155 1.00 15.78 ? 24 ARG A NE 1
ATOM 185 C CZ . ARG A 1 30 ? 33.792 -12.355 -14.074 1.00 15.44 ? 24 ARG A CZ 1
ATOM 186 N NH1 . ARG A 1 30 ? 33.062 -11.541 -14.829 1.00 15.03 ? 24 ARG A NH1 1
ATOM 187 N NH2 . ARG A 1 30 ? 33.206 -13.190 -13.228 1.00 14.55 ? 24 ARG A NH2 1
ATOM 188 N N . SER A 1 31 ? 35.976 -16.515 -15.114 1.00 15.43 ? 25 SER A N 1
ATOM 189 C CA . SER A 1 31 ? 35.665 -17.949 -15.177 1.00 14.86 ? 25 SER A CA 1
ATOM 190 C C . SER A 1 31 ? 34.363 -18.387 -14.497 1.00 14.31 ? 25 SER A C 1
ATOM 191 O O . SER A 1 31 ? 33.872 -19.482 -14.768 1.00 14.03 ? 25 SER A O 1
ATOM 192 C CB . SER A 1 31 ? 36.833 -18.781 -14.638 1.00 15.78 ? 25 SER A CB 1
ATOM 193 O OG . SER A 1 31 ? 36.943 -18.660 -13.230 1.00 16.64 ? 25 SER A OG 1
ATOM 194 N N . PHE A 1 32 ? 33.830 -17.557 -13.598 1.00 13.16 ? 26 PHE A N 1
ATOM 195 C CA . PHE A 1 32 ? 32.579 -17.841 -12.892 1.00 12.51 ? 26 PHE A CA 1
ATOM 196 C C . PHE A 1 32 ? 31.617 -16.733 -13.305 1.00 12.32 ? 26 PHE A C 1
ATOM 197 O O . PHE A 1 32 ? 31.722 -15.593 -12.836 1.00 12.49 ? 26 PHE A O 1
ATOM 198 C CB . PHE A 1 32 ? 32.838 -17.839 -11.381 1.00 13.52 ? 26 PHE A CB 1
ATOM 199 C CG . PHE A 1 32 ? 31.616 -18.103 -10.543 1.00 13.50 ? 26 PHE A CG 1
ATOM 200 C CD1 . PHE A 1 32 ? 31.072 -19.377 -10.456 1.00 13.61 ? 26 PHE A CD1 1
ATOM 201 C CD2 . PHE A 1 32 ? 31.032 -17.080 -9.808 1.00 14.55 ? 26 PHE A CD2 1
ATOM 202 C CE1 . PHE A 1 32 ? 29.948 -19.625 -9.672 1.00 13.68 ? 26 PHE A CE1 1
ATOM 203 C CE2 . PHE A 1 32 ? 29.928 -17.319 -9.022 1.00 14.39 ? 26 PHE A CE2 1
ATOM 204 C CZ . PHE A 1 32 ? 29.379 -18.585 -8.952 1.00 14.11 ? 26 PHE A CZ 1
ATOM 205 N N . THR A 1 33 ? 30.681 -17.054 -14.199 1.00 11.58 ? 27 THR A N 1
ATOM 206 C CA . THR A 1 33 ? 29.919 -16.033 -14.904 1.00 11.46 ? 27 THR A CA 1
ATOM 207 C C . THR A 1 33 ? 28.395 -16.270 -14.847 1.00 10.85 ? 27 THR A C 1
ATOM 208 O O . THR A 1 33 ? 27.642 -15.762 -15.673 1.00 12.12 ? 27 THR A O 1
ATOM 209 C CB . THR A 1 33 ? 30.390 -15.901 -16.372 1.00 11.63 ? 27 THR A CB 1
ATOM 210 O OG1 . THR A 1 33 ? 30.355 -17.184 -17.010 1.00 13.10 ? 27 THR A OG1 1
ATOM 211 C CG2 . THR A 1 33 ? 31.821 -15.357 -16.428 1.00 12.85 ? 27 THR A CG2 1
ATOM 212 N N . VAL A 1 34 ? 27.976 -17.035 -13.851 1.00 10.30 ? 28 VAL A N 1
ATOM 213 C CA . VAL A 1 34 ? 26.546 -17.332 -13.675 1.00 10.23 ? 28 VAL A CA 1
ATOM 214 C C . VAL A 1 34 ? 25.669 -16.104 -13.413 1.00 10.75 ? 28 VAL A C 1
ATOM 215 O O . VAL A 1 34 ? 26.127 -15.071 -12.889 1.00 10.86 ? 28 VAL A O 1
ATOM 216 C CB . VAL A 1 34 ? 26.311 -18.359 -12.567 1.00 10.55 ? 28 VAL A CB 1
ATOM 217 C CG1 . VAL A 1 34 ? 26.938 -19.715 -12.928 1.00 11.69 ? 28 VAL A CG1 1
ATOM 218 C CG2 . VAL A 1 34 ? 26.858 -17.875 -11.241 1.00 11.26 ? 28 VAL A CG2 1
ATOM 219 N N . ILE A 1 35 ? 24.399 -16.243 -13.792 1.00 10.50 ? 29 ILE A N 1
ATOM 220 C CA . ILE A 1 35 ? 23.312 -15.305 -13.466 1.00 10.45 ? 29 ILE A CA 1
ATOM 221 C C . ILE A 1 35 ? 22.395 -16.007 -12.465 1.00 9.86 ? 29 ILE A C 1
ATOM 222 O O . ILE A 1 35 ? 21.834 -17.078 -12.760 1.00 9.33 ? 29 ILE A O 1
ATOM 223 C CB . ILE A 1 35 ? 22.482 -14.962 -14.725 1.00 10.90 ? 29 ILE A CB 1
ATOM 224 C CG1 . ILE A 1 35 ? 23.352 -14.296 -15.802 1.00 12.26 ? 29 ILE A CG1 1
ATOM 225 C CG2 . ILE A 1 35 ? 21.238 -14.125 -14.384 1.00 12.54 ? 29 ILE A CG2 1
ATOM 226 C CD1 . ILE A 1 35 ? 24.078 -13.052 -15.290 1.00 12.82 ? 29 ILE A CD1 1
ATOM 227 N N . LEU A 1 36 ? 22.266 -15.433 -11.272 1.00 9.22 ? 30 LEU A N 1
ATOM 228 C CA . LEU A 1 36 ? 21.462 -16.013 -10.203 1.00 9.20 ? 30 LEU A CA 1
ATOM 229 C C . LEU A 1 36 ? 20.368 -15.045 -9.775 1.00 9.11 ? 30 LEU A C 1
ATOM 230 O O . LEU A 1 36 ? 20.647 -13.902 -9.414 1.00 10.33 ? 30 LEU A O 1
ATOM 231 C CB . LEU A 1 36 ? 22.348 -16.326 -8.989 1.00 9.24 ? 30 LEU A CB 1
ATOM 232 C CG . LEU A 1 36 ? 23.612 -17.157 -9.255 1.00 9.72 ? 30 LEU A CG 1
ATOM 233 C CD1 . LEU A 1 36 ? 24.504 -17.256 -8.016 1.00 10.47 ? 30 LEU A CD1 1
ATOM 234 C CD2 . LEU A 1 36 ? 23.260 -18.555 -9.768 1.00 10.19 ? 30 LEU A CD2 1
ATOM 235 N N . PHE A 1 37 ? 19.115 -15.490 -9.835 1.00 8.70 ? 31 PHE A N 1
ATOM 236 C CA . PHE A 1 37 ? 17.993 -14.702 -9.330 1.00 8.31 ? 31 PHE A CA 1
ATOM 237 C C . PHE A 1 37 ? 17.838 -14.977 -7.839 1.00 8.74 ? 31 PHE A C 1
ATOM 238 O O . PHE A 1 37 ? 17.944 -16.124 -7.405 1.00 8.80 ? 31 PHE A O 1
ATOM 239 C CB . PHE A 1 37 ? 16.707 -15.065 -10.084 1.00 9.47 ? 31 PHE A CB 1
ATOM 240 C CG . PHE A 1 37 ? 16.464 -14.244 -11.325 1.00 9.15 ? 31 PHE A CG 1
ATOM 241 C CD1 . PHE A 1 37 ? 17.516 -13.815 -12.126 1.00 10.68 ? 31 PHE A CD1 1
ATOM 242 C CD2 . PHE A 1 37 ? 15.178 -13.913 -11.695 1.00 10.34 ? 31 PHE A CD2 1
ATOM 243 C CE1 . PHE A 1 37 ? 17.280 -13.050 -13.271 1.00 11.88 ? 31 PHE A CE1 1
ATOM 244 C CE2 . PHE A 1 37 ? 14.926 -13.151 -12.853 1.00 10.35 ? 31 PHE A CE2 1
ATOM 245 C CZ . PHE A 1 37 ? 15.983 -12.721 -13.630 1.00 10.30 ? 31 PHE A CZ 1
ATOM 246 N N . VAL A 1 38 ? 17.565 -13.928 -7.072 1.00 9.09 ? 32 VAL A N 1
ATOM 247 C CA . VAL A 1 38 ? 17.398 -14.015 -5.617 1.00 8.94 ? 32 VAL A CA 1
ATOM 248 C C . VAL A 1 38 ? 16.085 -13.327 -5.237 1.00 9.22 ? 32 VAL A C 1
ATOM 249 O O . VAL A 1 38 ? 15.926 -12.119 -5.450 1.00 9.44 ? 32 VAL A O 1
ATOM 250 C CB . VAL A 1 38 ? 18.561 -13.322 -4.897 1.00 9.08 ? 32 VAL A CB 1
ATOM 251 C CG1 . VAL A 1 38 ? 18.370 -13.376 -3.375 1.00 9.12 ? 32 VAL A CG1 1
ATOM 252 C CG2 . VAL A 1 38 ? 19.901 -13.978 -5.302 1.00 9.57 ? 32 VAL A CG2 1
ATOM 253 N N . HIS A 1 39 ? 15.154 -14.101 -4.691 1.00 8.82 ? 33 HIS A N 1
ATOM 254 C CA . HIS A 1 39 ? 13.856 -13.602 -4.238 1.00 8.59 ? 33 HIS A CA 1
ATOM 255 C C . HIS A 1 39 ? 13.884 -13.583 -2.711 1.00 9.56 ? 33 HIS A C 1
ATOM 256 O O . HIS A 1 39 ? 13.902 -14.634 -2.057 1.00 9.85 ? 33 HIS A O 1
ATOM 257 C CB . HIS A 1 39 ? 12.740 -14.484 -4.788 1.00 9.05 ? 33 HIS A CB 1
ATOM 258 C CG . HIS A 1 39 ? 12.753 -14.586 -6.280 1.00 8.92 ? 33 HIS A CG 1
ATOM 259 N ND1 . HIS A 1 39 ? 12.503 -13.501 -7.096 1.00 10.69 ? 33 HIS A ND1 1
ATOM 260 C CD2 . HIS A 1 39 ? 13.017 -15.629 -7.106 1.00 10.09 ? 33 HIS A CD2 1
ATOM 261 C CE1 . HIS A 1 39 ? 12.599 -13.878 -8.359 1.00 10.34 ? 33 HIS A CE1 1
ATOM 262 N NE2 . HIS A 1 39 ? 12.906 -15.161 -8.399 1.00 10.74 ? 33 HIS A NE2 1
ATOM 263 N N . LEU A 1 40 ? 13.923 -12.379 -2.158 1.00 9.90 ? 34 LEU A N 1
ATOM 264 C CA . LEU A 1 40 ? 14.087 -12.162 -0.728 1.00 10.93 ? 34 LEU A CA 1
ATOM 265 C C . LEU A 1 40 ? 12.738 -12.058 -0.039 1.00 11.10 ? 34 LEU A C 1
ATOM 266 O O . LEU A 1 40 ? 11.882 -11.263 -0.446 1.00 11.77 ? 34 LEU A O 1
ATOM 267 C CB . LEU A 1 40 ? 14.901 -10.887 -0.478 1.00 11.37 ? 34 LEU A CB 1
ATOM 268 C CG . LEU A 1 40 ? 16.321 -10.859 -1.059 1.00 11.92 ? 34 LEU A CG 1
ATOM 269 C CD1 . LEU A 1 40 ? 16.820 -9.436 -1.248 1.00 14.20 ? 34 LEU A CD1 1
ATOM 270 C CD2 . LEU A 1 40 ? 17.297 -11.649 -0.223 1.00 12.85 ? 34 LEU A CD2 1
ATOM 271 N N . ARG A 1 41 ? 12.573 -12.851 1.013 1.00 10.94 ? 35 ARG A N 1
ATOM 272 C CA . ARG A 1 41 ? 11.331 -12.898 1.788 1.00 12.30 ? 35 ARG A CA 1
ATOM 273 C C . ARG A 1 41 ? 11.403 -12.122 3.090 1.00 13.18 ? 35 ARG A C 1
ATOM 274 O O . ARG A 1 41 ? 12.433 -12.076 3.749 1.00 13.17 ? 35 ARG A O 1
ATOM 275 C CB . ARG A 1 41 ? 10.979 -14.345 2.137 1.00 12.28 ? 35 ARG A CB 1
ATOM 276 C CG . ARG A 1 41 ? 10.687 -15.251 0.963 1.00 13.06 ? 35 ARG A CG 1
ATOM 277 C CD . ARG A 1 41 ? 10.350 -16.679 1.463 1.00 13.32 ? 35 ARG A CD 1
ATOM 278 N NE . ARG A 1 41 ? 11.459 -17.262 2.216 1.00 14.46 ? 35 ARG A NE 1
ATOM 279 C CZ . ARG A 1 41 ? 11.850 -18.526 2.126 1.00 14.36 ? 35 ARG A CZ 1
ATOM 280 N NH1 . ARG A 1 41 ? 11.214 -19.371 1.325 1.00 14.09 ? 35 ARG A NH1 1
ATOM 281 N NH2 . ARG A 1 41 ? 12.890 -18.948 2.843 1.00 14.59 ? 35 ARG A NH2 1
ATOM 282 N N . GLN A 1 42 ? 10.262 -11.534 3.453 1.00 14.93 ? 36 GLN A N 1
ATOM 283 C CA . GLN A 1 42 ? 10.002 -11.083 4.822 1.00 17.63 ? 36 GLN A CA 1
ATOM 284 C C . GLN A 1 42 ? 8.615 -11.594 5.210 1.00 18.65 ? 36 GLN A C 1
ATOM 285 O O . GLN A 1 42 ? 7.663 -11.485 4.437 1.00 18.12 ? 36 GLN A O 1
ATOM 286 C CB . GLN A 1 42 ? 10.072 -9.558 4.947 1.00 18.50 ? 36 GLN A CB 1
ATOM 287 C CG . GLN A 1 42 ? 11.482 -9.000 4.911 1.00 19.70 ? 36 GLN A CG 1
ATOM 288 C CD . GLN A 1 42 ? 11.534 -7.491 5.040 1.00 19.99 ? 36 GLN A CD 1
ATOM 289 O OE1 . GLN A 1 42 ? 12.600 -6.915 5.297 1.00 22.05 ? 36 GLN A OE1 1
ATOM 290 N NE2 . GLN A 1 42 ? 10.392 -6.838 4.847 1.00 20.58 ? 36 GLN A NE2 1
ATOM 291 N N . GLU A 1 43 ? 8.527 -12.180 6.397 1.00 20.88 ? 37 GLU A N 1
ATOM 292 C CA . GLU A 1 43 ? 7.277 -12.767 6.879 1.00 22.43 ? 37 GLU A CA 1
ATOM 293 C C . GLU A 1 43 ? 6.624 -13.684 5.840 1.00 21.94 ? 37 GLU A C 1
ATOM 294 O O . GLU A 1 43 ? 5.404 -13.690 5.663 1.00 22.19 ? 37 GLU A O 1
ATOM 295 C CB A GLU A 1 43 ? 6.317 -11.654 7.320 0.65 23.98 ? 37 GLU A CB 1
ATOM 296 C CB B GLU A 1 43 ? 6.300 -11.684 7.355 0.35 23.14 ? 37 GLU A CB 1
ATOM 297 C CG A GLU A 1 43 ? 6.914 -10.750 8.395 0.65 25.76 ? 37 GLU A CG 1
ATOM 298 C CG B GLU A 1 43 ? 6.203 -11.548 8.876 0.35 24.31 ? 37 GLU A CG 1
ATOM 299 C CD A GLU A 1 43 ? 6.177 -9.433 8.549 0.65 27.21 ? 37 GLU A CD 1
ATOM 300 C CD B GLU A 1 43 ? 7.397 -10.854 9.505 0.35 24.73 ? 37 GLU A CD 1
ATOM 301 O OE1 A GLU A 1 43 ? 4.937 -9.416 8.388 0.65 27.95 ? 37 GLU A OE1 1
ATOM 302 O OE1 B GLU A 1 43 ? 8.548 -11.166 9.133 0.35 25.25 ? 37 GLU A OE1 1
ATOM 303 O OE2 A GLU A 1 43 ? 6.838 -8.413 8.842 0.65 28.33 ? 37 GLU A OE2 1
ATOM 304 O OE2 B GLU A 1 43 ? 7.182 -10.000 10.392 0.35 25.35 ? 37 GLU A OE2 1
ATOM 305 N N . GLY A 1 44 ? 7.454 -14.463 5.151 1.00 20.65 ? 38 GLY A N 1
ATOM 306 C CA . GLY A 1 44 ? 6.965 -15.480 4.226 1.00 19.82 ? 38 GLY A CA 1
ATOM 307 C C . GLY A 1 44 ? 6.618 -15.003 2.827 1.00 19.18 ? 38 GLY A C 1
ATOM 308 O O . GLY A 1 44 ? 6.305 -15.816 1.957 1.00 20.94 ? 38 GLY A O 1
ATOM 309 N N . LYS A 1 45 ? 6.679 -13.691 2.606 1.00 18.02 ? 39 LYS A N 1
ATOM 310 C CA . LYS A 1 45 ? 6.314 -13.121 1.313 1.00 18.02 ? 39 LYS A CA 1
ATOM 311 C C . LYS A 1 45 ? 7.550 -12.548 0.617 1.00 15.93 ? 39 LYS A C 1
ATOM 312 O O . LYS A 1 45 ? 8.404 -11.950 1.259 1.00 14.70 ? 39 LYS A O 1
ATOM 313 C CB . LYS A 1 45 ? 5.279 -12.007 1.502 1.00 20.77 ? 39 LYS A CB 1
ATOM 314 C CG . LYS A 1 45 ? 4.646 -11.559 0.203 1.00 23.99 ? 39 LYS A CG 1
ATOM 315 C CD . LYS A 1 45 ? 3.337 -10.802 0.419 1.00 26.28 ? 39 LYS A CD 1
ATOM 316 C CE . LYS A 1 45 ? 3.563 -9.310 0.534 1.00 28.14 ? 39 LYS A CE 1
ATOM 317 N NZ . LYS A 1 45 ? 2.262 -8.573 0.573 1.00 29.86 ? 39 LYS A NZ 1
ATOM 318 N N . VAL A 1 46 ? 7.638 -12.734 -0.693 1.00 14.99 ? 40 VAL A N 1
ATOM 319 C CA . VAL A 1 46 ? 8.752 -12.141 -1.437 1.00 14.47 ? 40 VAL A CA 1
ATOM 320 C C . VAL A 1 46 ? 8.543 -10.634 -1.479 1.00 14.34 ? 40 VAL A C 1
ATOM 321 O O . VAL A 1 46 ? 7.490 -10.175 -1.943 1.00 15.32 ? 40 VAL A O 1
ATOM 322 C CB . VAL A 1 46 ? 8.868 -12.726 -2.856 1.00 14.14 ? 40 VAL A CB 1
ATOM 323 C CG1 . VAL A 1 46 ? 9.910 -11.972 -3.662 1.00 14.99 ? 40 VAL A CG1 1
ATOM 324 C CG2 . VAL A 1 46 ? 9.234 -14.207 -2.784 1.00 15.17 ? 40 VAL A CG2 1
ATOM 325 N N . VAL A 1 47 ? 9.525 -9.882 -0.979 1.00 13.45 ? 41 VAL A N 1
ATOM 326 C CA . VAL A 1 47 ? 9.424 -8.416 -0.915 1.00 14.59 ? 41 VAL A CA 1
ATOM 327 C C . VAL A 1 47 ? 10.441 -7.673 -1.776 1.00 15.06 ? 41 VAL A C 1
ATOM 328 O O . VAL A 1 47 ? 10.282 -6.480 -2.025 1.00 16.29 ? 41 VAL A O 1
ATOM 329 C CB . VAL A 1 47 ? 9.521 -7.885 0.535 1.00 15.13 ? 41 VAL A CB 1
ATOM 330 C CG1 . VAL A 1 47 ? 8.353 -8.407 1.369 1.00 16.51 ? 41 VAL A CG1 1
ATOM 331 C CG2 . VAL A 1 47 ? 10.857 -8.232 1.156 1.00 15.85 ? 41 VAL A CG2 1
ATOM 332 N N . ARG A 1 48 ? 11.497 -8.360 -2.216 1.00 14.13 ? 42 ARG A N 1
ATOM 333 C CA . ARG A 1 48 ? 12.430 -7.773 -3.174 1.00 14.05 ? 42 ARG A CA 1
ATOM 334 C C . ARG A 1 48 ? 13.107 -8.870 -3.955 1.00 12.41 ? 42 ARG A C 1
ATOM 335 O O . ARG A 1 48 ? 13.378 -9.939 -3.406 1.00 12.15 ? 42 ARG A O 1
ATOM 336 C CB B ARG A 1 48 ? 13.508 -6.931 -2.485 0.65 14.48 ? 42 ARG A CB 1
ATOM 337 C CB C ARG A 1 48 ? 13.467 -6.878 -2.482 0.35 14.70 ? 42 ARG A CB 1
ATOM 338 C CG B ARG A 1 48 ? 14.324 -6.116 -3.506 0.65 15.87 ? 42 ARG A CG 1
ATOM 339 C CG C ARG A 1 48 ? 14.127 -5.882 -3.448 0.35 15.88 ? 42 ARG A CG 1
ATOM 340 C CD B ARG A 1 48 ? 15.456 -5.312 -2.920 0.65 16.69 ? 42 ARG A CD 1
ATOM 341 C CD C ARG A 1 48 ? 14.559 -4.567 -2.800 0.35 16.91 ? 42 ARG A CD 1
ATOM 342 N NE B ARG A 1 48 ? 14.988 -4.339 -1.942 0.65 18.75 ? 42 ARG A NE 1
ATOM 343 N NE C ARG A 1 48 ? 13.681 -4.135 -1.716 0.35 18.07 ? 42 ARG A NE 1
ATOM 344 C CZ B ARG A 1 48 ? 15.803 -3.685 -1.129 0.65 19.68 ? 42 ARG A CZ 1
ATOM 345 C CZ C ARG A 1 48 ? 12.435 -3.694 -1.878 0.35 18.71 ? 42 ARG A CZ 1
ATOM 346 N NH1 B ARG A 1 48 ? 17.108 -3.904 -1.198 0.65 20.94 ? 42 ARG A NH1 1
ATOM 347 N NH1 C ARG A 1 48 ? 11.721 -3.322 -0.825 0.35 20.00 ? 42 ARG A NH1 1
ATOM 348 N NH2 B ARG A 1 48 ? 15.311 -2.837 -0.239 0.65 20.22 ? 42 ARG A NH2 1
ATOM 349 N NH2 C ARG A 1 48 ? 11.901 -3.627 -3.088 0.35 19.17 ? 42 ARG A NH2 1
ATOM 350 N N . SER A 1 49 ? 13.367 -8.608 -5.227 1.00 10.29 ? 43 SER A N 1
ATOM 351 C CA . SER A 1 49 ? 14.109 -9.546 -6.068 1.00 9.70 ? 43 SER A CA 1
ATOM 352 C C . SER A 1 49 ? 15.309 -8.837 -6.656 1.00 9.59 ? 43 SER A C 1
ATOM 353 O O . SER A 1 49 ? 15.232 -7.664 -7.081 1.00 10.38 ? 43 SER A O 1
ATOM 354 C CB . SER A 1 49 ? 13.229 -10.054 -7.198 1.00 10.50 ? 43 SER A CB 1
ATOM 355 O OG . SER A 1 49 ? 12.127 -10.784 -6.666 1.00 11.37 ? 43 SER A OG 1
ATOM 356 N N . VAL A 1 50 ? 16.438 -9.530 -6.649 1.00 9.12 ? 44 VAL A N 1
ATOM 357 C CA . VAL A 1 50 ? 17.664 -9.006 -7.219 1.00 10.09 ? 44 VAL A CA 1
ATOM 358 C C . VAL A 1 50 ? 18.308 -10.080 -8.078 1.00 9.77 ? 44 VAL A C 1
ATOM 359 O O . VAL A 1 50 ? 18.000 -11.272 -7.939 1.00 9.92 ? 44 VAL A O 1
ATOM 360 C CB . VAL A 1 50 ? 18.695 -8.507 -6.156 1.00 10.43 ? 44 VAL A CB 1
ATOM 361 C CG1 . VAL A 1 50 ? 18.089 -7.422 -5.265 1.00 11.75 ? 44 VAL A CG1 1
ATOM 362 C CG2 . VAL A 1 50 ? 19.235 -9.652 -5.328 1.00 11.12 ? 44 VAL A CG2 1
ATOM 363 N N . VAL A 1 51 ? 19.194 -9.648 -8.967 1.00 9.75 ? 45 VAL A N 1
ATOM 364 C CA . VAL A 1 51 ? 20.005 -10.560 -9.756 1.00 9.70 ? 45 VAL A CA 1
ATOM 365 C C . VAL A 1 51 ? 21.466 -10.405 -9.349 1.00 8.95 ? 45 VAL A C 1
ATOM 366 O O . VAL A 1 51 ? 21.966 -9.276 -9.242 1.00 10.78 ? 45 VAL A O 1
ATOM 367 C CB A VAL A 1 51 ? 19.836 -10.296 -11.281 0.65 10.22 ? 45 VAL A CB 1
ATOM 368 C CB B VAL A 1 51 ? 19.865 -10.262 -11.258 0.35 9.29 ? 45 VAL A CB 1
ATOM 369 C CG1 A VAL A 1 51 ? 20.318 -8.883 -11.666 0.65 11.18 ? 45 VAL A CG1 1
ATOM 370 C CG1 B VAL A 1 51 ? 20.786 -11.156 -12.074 0.35 9.21 ? 45 VAL A CG1 1
ATOM 371 C CG2 A VAL A 1 51 ? 20.571 -11.349 -12.095 0.65 10.69 ? 45 VAL A CG2 1
ATOM 372 C CG2 B VAL A 1 51 ? 18.423 -10.421 -11.694 0.35 8.87 ? 45 VAL A CG2 1
ATOM 373 N N . LEU A 1 52 ? 22.124 -11.525 -9.077 1.00 9.33 ? 46 LEU A N 1
ATOM 374 C CA . LEU A 1 52 ? 23.574 -11.557 -8.898 1.00 9.03 ? 46 LEU A CA 1
ATOM 375 C C . LEU A 1 52 ? 24.118 -11.906 -10.269 1.00 9.79 ? 46 LEU A C 1
ATOM 376 O O . LEU A 1 52 ? 24.000 -13.058 -10.721 1.00 10.04 ? 46 LEU A O 1
ATOM 377 C CB . LEU A 1 52 ? 23.976 -12.629 -7.886 1.00 10.09 ? 46 LEU A CB 1
ATOM 378 C CG . LEU A 1 52 ? 23.181 -12.677 -6.574 1.00 10.24 ? 46 LEU A CG 1
ATOM 379 C CD1 . LEU A 1 52 ? 23.731 -13.773 -5.665 1.00 11.56 ? 46 LEU A CD1 1
ATOM 380 C CD2 . LEU A 1 52 ? 23.182 -11.330 -5.845 1.00 11.82 ? 46 LEU A CD2 1
ATOM 381 N N . ASP A 1 53 ? 24.695 -10.922 -10.945 1.00 10.09 ? 47 ASP A N 1
ATOM 382 C CA . ASP A 1 53 ? 25.130 -11.107 -12.324 1.00 10.59 ? 47 ASP A CA 1
ATOM 383 C C . ASP A 1 53 ? 26.651 -11.203 -12.300 1.00 10.34 ? 47 ASP A C 1
ATOM 384 O O . ASP A 1 53 ? 27.365 -10.191 -12.166 1.00 10.63 ? 47 ASP A O 1
ATOM 385 C CB . ASP A 1 53 ? 24.614 -9.940 -13.181 1.00 11.32 ? 47 ASP A CB 1
ATOM 386 C CG . ASP A 1 53 ? 25.105 -9.979 -14.633 1.00 11.83 ? 47 ASP A CG 1
ATOM 387 O OD1 . ASP A 1 53 ? 26.126 -10.635 -14.898 1.00 12.28 ? 47 ASP A OD1 1
ATOM 388 O OD2 . ASP A 1 53 ? 24.482 -9.326 -15.499 1.00 13.27 ? 47 ASP A OD2 1
ATOM 389 N N . PHE A 1 54 ? 27.159 -12.426 -12.378 1.00 10.59 ? 48 PHE A N 1
ATOM 390 C CA . PHE A 1 54 ? 28.610 -12.616 -12.353 1.00 11.30 ? 48 PHE A CA 1
ATOM 391 C C . PHE A 1 54 ? 29.277 -12.470 -13.698 1.00 12.11 ? 48 PHE A C 1
ATOM 392 O O . PHE A 1 54 ? 30.498 -12.519 -13.788 1.00 13.11 ? 48 PHE A O 1
ATOM 393 C CB . PHE A 1 54 ? 28.975 -13.917 -11.662 1.00 11.53 ? 48 PHE A CB 1
ATOM 394 C CG . PHE A 1 54 ? 28.697 -13.879 -10.192 1.00 11.27 ? 48 PHE A CG 1
ATOM 395 C CD1 . PHE A 1 54 ? 29.631 -13.335 -9.327 1.00 12.66 ? 48 PHE A CD1 1
ATOM 396 C CD2 . PHE A 1 54 ? 27.495 -14.328 -9.673 1.00 12.07 ? 48 PHE A CD2 1
ATOM 397 C CE1 . PHE A 1 54 ? 29.379 -13.268 -7.964 1.00 13.21 ? 48 PHE A CE1 1
ATOM 398 C CE2 . PHE A 1 54 ? 27.246 -14.268 -8.309 1.00 12.13 ? 48 PHE A CE2 1
ATOM 399 C CZ . PHE A 1 54 ? 28.181 -13.725 -7.462 1.00 12.39 ? 48 PHE A CZ 1
ATOM 400 N N . ASN A 1 55 ? 28.488 -12.253 -14.733 1.00 12.62 ? 49 ASN A N 1
ATOM 401 C CA . ASN A 1 55 ? 29.068 -11.914 -16.016 1.00 13.75 ? 49 ASN A CA 1
ATOM 402 C C . ASN A 1 55 ? 29.554 -10.466 -15.985 1.00 14.72 ? 49 ASN A C 1
ATOM 403 O O . ASN A 1 55 ? 30.729 -10.192 -16.261 1.00 15.52 ? 49 ASN A O 1
ATOM 404 C CB . ASN A 1 55 ? 28.041 -12.100 -17.115 1.00 14.65 ? 49 ASN A CB 1
ATOM 405 C CG . ASN A 1 55 ? 28.625 -11.868 -18.474 1.00 15.83 ? 49 ASN A CG 1
ATOM 406 O OD1 . ASN A 1 55 ? 29.717 -12.358 -18.775 1.00 18.32 ? 49 ASN A OD1 1
ATOM 407 N ND2 . ASN A 1 55 ? 27.933 -11.099 -19.290 1.00 16.49 ? 49 ASN A ND2 1
ATOM 408 N N . ASP A 1 56 ? 28.659 -9.545 -15.621 1.00 14.40 ? 50 ASP A N 1
ATOM 409 C CA . ASP A 1 56 ? 28.960 -8.108 -15.555 1.00 15.68 ? 50 ASP A CA 1
ATOM 410 C C . ASP A 1 56 ? 29.444 -7.682 -14.166 1.00 15.21 ? 50 ASP A C 1
ATOM 411 O O . ASP A 1 56 ? 29.802 -6.523 -13.959 1.00 16.06 ? 50 ASP A O 1
ATOM 412 C CB . ASP A 1 56 ? 27.725 -7.289 -15.931 1.00 19.25 ? 50 ASP A CB 1
ATOM 413 C CG . ASP A 1 56 ? 27.577 -7.101 -17.424 1.00 22.66 ? 50 ASP A CG 1
ATOM 414 O OD1 . ASP A 1 56 ? 28.452 -7.575 -18.178 1.00 23.98 ? 50 ASP A OD1 1
ATOM 415 O OD2 . ASP A 1 56 ? 26.573 -6.472 -17.824 1.00 25.19 ? 50 ASP A OD2 1
ATOM 416 N N . LEU A 1 57 ? 29.416 -8.610 -13.214 1.00 13.25 ? 51 LEU A N 1
ATOM 417 C CA . LEU A 1 57 ? 29.863 -8.351 -11.832 1.00 12.65 ? 51 LEU A CA 1
ATOM 418 C C . LEU A 1 57 ? 29.054 -7.219 -11.190 1.00 13.11 ? 51 LEU A C 1
ATOM 419 O O . LEU A 1 57 ? 29.591 -6.165 -10.797 1.00 12.75 ? 51 LEU A O 1
ATOM 420 C CB . LEU A 1 57 ? 31.369 -8.072 -11.766 1.00 13.41 ? 51 LEU A CB 1
ATOM 421 C CG . LEU A 1 57 ? 32.188 -9.299 -12.166 1.00 13.60 ? 51 LEU A CG 1
ATOM 422 C CD1 . LEU A 1 57 ? 33.624 -8.902 -12.488 1.00 14.17 ? 51 LEU A CD1 1
ATOM 423 C CD2 . LEU A 1 57 ? 32.137 -10.349 -11.065 1.00 14.49 ? 51 LEU A CD2 1
ATOM 424 N N . LYS A 1 58 ? 27.749 -7.434 -11.090 1.00 11.77 ? 52 LYS A N 1
ATOM 425 C CA . LYS A 1 58 ? 26.856 -6.457 -10.498 1.00 13.15 ? 52 LYS A CA 1
ATOM 426 C C . LYS A 1 58 ? 25.685 -7.141 -9.825 1.00 13.08 ? 52 LYS A C 1
ATOM 427 O O . LYS A 1 58 ? 25.321 -8.273 -10.175 1.00 12.86 ? 52 LYS A O 1
ATOM 428 C CB . LYS A 1 58 ? 26.363 -5.465 -11.553 1.00 15.76 ? 52 LYS A CB 1
ATOM 429 C CG . LYS A 1 58 ? 25.443 -6.086 -12.576 1.00 18.31 ? 52 LYS A CG 1
ATOM 430 C CD . LYS A 1 58 ? 25.129 -5.100 -13.698 1.00 20.86 ? 52 LYS A CD 1
ATOM 431 C CE . LYS A 1 58 ? 24.331 -5.781 -14.804 1.00 22.11 ? 52 LYS A CE 1
ATOM 432 N NZ . LYS A 1 58 ? 24.187 -4.871 -15.987 1.00 24.41 ? 52 LYS A NZ 1
ATOM 433 N N . ILE A 1 59 ? 25.107 -6.455 -8.851 1.00 12.43 ? 53 ILE A N 1
ATOM 434 C CA . ILE A 1 59 ? 23.867 -6.866 -8.217 1.00 13.08 ? 53 ILE A CA 1
ATOM 435 C C . ILE A 1 59 ? 22.839 -5.811 -8.566 1.00 14.07 ? 53 ILE A C 1
ATOM 436 O O . ILE A 1 59 ? 23.077 -4.615 -8.359 1.00 16.21 ? 53 ILE A O 1
ATOM 437 C CB . ILE A 1 59 ? 24.030 -6.968 -6.697 1.00 13.43 ? 53 ILE A CB 1
ATOM 438 C CG1 . ILE A 1 59 ? 25.039 -8.070 -6.379 1.00 13.61 ? 53 ILE A CG1 1
ATOM 439 C CG2 . ILE A 1 59 ? 22.675 -7.280 -6.034 1.00 14.24 ? 53 ILE A CG2 1
ATOM 440 C CD1 . ILE A 1 59 ? 25.448 -8.126 -4.905 1.00 15.60 ? 53 ILE A CD1 1
ATOM 441 N N . SER A 1 60 ? 21.712 -6.221 -9.131 1.00 14.56 ? 54 SER A N 1
ATOM 442 C CA . SER A 1 60 ? 20.712 -5.248 -9.548 1.00 15.18 ? 54 SER A CA 1
ATOM 443 C C . SER A 1 60 ? 19.324 -5.654 -9.096 1.00 14.70 ? 54 SER A C 1
ATOM 444 O O . SER A 1 60 ? 18.966 -6.825 -9.114 1.00 13.54 ? 54 SER A O 1
ATOM 445 C CB A SER A 1 60 ? 20.740 -5.042 -11.065 0.65 17.43 ? 54 SER A CB 1
ATOM 446 C CB B SER A 1 60 ? 20.709 -5.118 -11.072 0.35 15.84 ? 54 SER A CB 1
ATOM 447 O OG A SER A 1 60 ? 20.243 -6.167 -11.766 0.65 19.55 ? 54 SER A OG 1
ATOM 448 O OG B SER A 1 60 ? 21.982 -4.741 -11.565 0.35 16.24 ? 54 SER A OG 1
ATOM 449 N N . GLU A 1 61 ? 18.530 -4.682 -8.687 1.00 14.67 ? 55 GLU A N 1
ATOM 450 C CA . GLU A 1 61 ? 17.152 -4.937 -8.340 1.00 15.22 ? 55 GLU A CA 1
ATOM 451 C C . GLU A 1 61 ? 16.343 -5.141 -9.612 1.00 15.91 ? 55 GLU A C 1
ATOM 452 O O . GLU A 1 61 ? 16.534 -4.416 -10.589 1.00 17.67 ? 55 GLU A O 1
ATOM 453 C CB . GLU A 1 61 ? 16.617 -3.751 -7.547 1.00 17.77 ? 55 GLU A CB 1
ATOM 454 C CG . GLU A 1 61 ? 15.259 -3.958 -6.952 1.00 20.59 ? 55 GLU A CG 1
ATOM 455 C CD . GLU A 1 61 ? 14.932 -2.883 -5.928 1.00 22.51 ? 55 GLU A CD 1
ATOM 456 O OE1 . GLU A 1 61 ? 15.838 -2.492 -5.151 1.00 24.54 ? 55 GLU A OE1 1
ATOM 457 O OE2 . GLU A 1 61 ? 13.770 -2.446 -5.904 1.00 25.28 ? 55 GLU A OE2 1
ATOM 458 N N . ILE A 1 62 ? 15.457 -6.138 -9.605 1.00 14.75 ? 56 ILE A N 1
ATOM 459 C CA . ILE A 1 62 ? 14.586 -6.441 -10.746 1.00 16.50 ? 56 ILE A CA 1
ATOM 460 C C . ILE A 1 62 ? 13.129 -6.380 -10.298 1.00 16.70 ? 56 ILE A C 1
ATOM 461 O O . ILE A 1 62 ? 12.852 -6.160 -9.113 1.00 16.25 ? 56 ILE A O 1
ATOM 462 C CB . ILE A 1 62 ? 14.904 -7.828 -11.358 1.00 16.08 ? 56 ILE A CB 1
ATOM 463 C CG1 . ILE A 1 62 ? 14.784 -8.928 -10.295 1.00 16.12 ? 56 ILE A CG1 1
ATOM 464 C CG2 . ILE A 1 62 ? 16.299 -7.818 -11.995 1.00 17.61 ? 56 ILE A CG2 1
ATOM 465 C CD1 . ILE A 1 62 ? 14.937 -10.364 -10.821 1.00 18.11 ? 56 ILE A CD1 1
ATOM 466 N N . GLU A 1 63 ? 12.194 -6.540 -11.233 1.00 18.30 ? 57 GLU A N 1
ATOM 467 C CA . GLU A 1 63 ? 10.783 -6.511 -10.860 1.00 20.74 ? 57 GLU A CA 1
ATOM 468 C C . GLU A 1 63 ? 10.461 -7.587 -9.829 1.00 18.18 ? 57 GLU A C 1
ATOM 469 O O . GLU A 1 63 ? 10.976 -8.701 -9.869 1.00 17.93 ? 57 GLU A O 1
ATOM 470 C CB . GLU A 1 63 ? 9.847 -6.626 -12.075 1.00 22.29 ? 57 GLU A CB 1
ATOM 471 C CG . GLU A 1 63 ? 8.380 -6.303 -11.728 1.00 25.61 ? 57 GLU A CG 1
ATOM 472 C CD . GLU A 1 63 ? 7.508 -5.971 -12.935 1.00 26.26 ? 57 GLU A CD 1
ATOM 473 O OE1 . GLU A 1 63 ? 7.955 -6.150 -14.087 1.00 28.79 ? 57 GLU A OE1 1
ATOM 474 O OE2 . GLU A 1 63 ? 6.359 -5.521 -12.722 1.00 29.54 ? 57 GLU A OE2 1
ATOM 475 N N . LEU A 1 64 ? 9.592 -7.226 -8.901 1.00 18.08 ? 58 LEU A N 1
ATOM 476 C CA . LEU A 1 64 ? 9.314 -8.076 -7.758 1.00 17.46 ? 58 LEU A CA 1
ATOM 477 C C . LEU A 1 64 ? 8.838 -9.477 -8.141 1.00 17.65 ? 58 LEU A C 1
ATOM 478 O O . LEU A 1 64 ? 7.833 -9.644 -8.847 1.00 18.87 ? 58 LEU A O 1
ATOM 479 C CB . LEU A 1 64 ? 8.282 -7.406 -6.858 1.00 17.95 ? 58 LEU A CB 1
ATOM 480 C CG . LEU A 1 64 ? 7.869 -8.208 -5.628 1.00 17.89 ? 58 LEU A CG 1
ATOM 481 C CD1 . LEU A 1 64 ? 9.030 -8.282 -4.677 1.00 18.67 ? 58 LEU A CD1 1
ATOM 482 C CD2 . LEU A 1 64 ? 6.666 -7.549 -4.951 1.00 19.80 ? 58 LEU A CD2 1
ATOM 483 N N . ALA A 1 65 ? 9.577 -10.480 -7.681 1.00 16.67 ? 59 ALA A N 1
ATOM 484 C CA . ALA A 1 65 ? 9.185 -11.876 -7.833 1.00 16.52 ? 59 ALA A CA 1
ATOM 485 C C . ALA A 1 65 ? 9.105 -12.347 -9.276 1.00 17.09 ? 59 ALA A C 1
ATOM 486 O O . ALA A 1 65 ? 8.498 -13.374 -9.553 1.00 17.75 ? 59 ALA A O 1
ATOM 487 C CB . ALA A 1 65 ? 7.859 -12.144 -7.110 1.00 16.55 ? 59 ALA A CB 1
ATOM 488 N N . VAL A 1 66 ? 9.742 -11.636 -10.201 1.00 16.87 ? 60 VAL A N 1
ATOM 489 C CA . VAL A 1 66 ? 9.640 -12.041 -11.606 1.00 17.05 ? 60 VAL A CA 1
ATOM 490 C C . VAL A 1 66 ? 10.535 -13.240 -11.979 1.00 17.20 ? 60 VAL A C 1
ATOM 491 O O . VAL A 1 66 ? 11.642 -13.408 -11.445 1.00 17.46 ? 60 VAL A O 1
ATOM 492 C CB A VAL A 1 66 ? 9.795 -10.870 -12.619 0.65 18.12 ? 60 VAL A CB 1
ATOM 493 C CB B VAL A 1 66 ? 9.965 -10.851 -12.529 0.35 16.83 ? 60 VAL A CB 1
ATOM 494 C CG1 A VAL A 1 66 ? 8.628 -9.888 -12.487 0.65 19.12 ? 60 VAL A CG1 1
ATOM 495 C CG1 B VAL A 1 66 ? 11.475 -10.685 -12.683 0.35 16.64 ? 60 VAL A CG1 1
ATOM 496 C CG2 A VAL A 1 66 ? 11.150 -10.186 -12.488 0.65 18.20 ? 60 VAL A CG2 1
ATOM 497 C CG2 B VAL A 1 66 ? 9.303 -11.036 -13.876 0.35 16.27 ? 60 VAL A CG2 1
ATOM 498 N N . THR A 1 67 ? 10.020 -14.064 -12.886 1.00 18.62 ? 61 THR A N 1
ATOM 499 C CA . THR A 1 67 ? 10.651 -15.307 -13.327 1.00 20.30 ? 61 THR A CA 1
ATOM 500 C C . THR A 1 67 ? 11.812 -15.056 -14.299 1.00 20.81 ? 61 THR A C 1
ATOM 501 O O . THR A 1 67 ? 12.782 -15.806 -14.309 1.00 21.35 ? 61 THR A O 1
ATOM 502 C CB . THR A 1 67 ? 9.595 -16.262 -13.978 1.00 20.88 ? 61 THR A CB 1
ATOM 503 O OG1 . THR A 1 67 ? 10.172 -17.550 -14.224 1.00 22.22 ? 61 THR A OG1 1
ATOM 504 C CG2 . THR A 1 67 ? 9.081 -15.714 -15.274 1.00 22.40 ? 61 THR A CG2 1
ATOM 505 N N . SER A 1 68 ? 11.702 -14.009 -15.110 1.00 21.20 ? 62 SER A N 1
ATOM 506 C CA . SER A 1 68 ? 12.718 -13.661 -16.106 1.00 22.80 ? 62 SER A CA 1
ATOM 507 C C . SER A 1 68 ? 12.436 -12.246 -16.603 1.00 22.33 ? 62 SER A C 1
ATOM 508 O O . SER A 1 68 ? 11.360 -11.708 -16.349 1.00 23.84 ? 62 SER A O 1
ATOM 509 C CB . SER A 1 68 ? 12.777 -14.696 -17.250 1.00 24.44 ? 62 SER A CB 1
ATOM 510 O OG . SER A 1 68 ? 11.505 -14.988 -17.816 1.00 26.36 ? 62 SER A OG 1
ATOM 511 N N . THR A 1 69 ? 13.412 -11.628 -17.267 1.00 21.00 ? 63 THR A N 1
ATOM 512 C CA . THR A 1 69 ? 13.321 -10.234 -17.680 1.00 20.35 ? 63 THR A CA 1
ATOM 513 C C . THR A 1 69 ? 13.870 -10.083 -19.105 1.00 20.11 ? 63 THR A C 1
ATOM 514 O O . THR A 1 69 ? 14.402 -11.038 -19.669 1.00 19.47 ? 63 THR A O 1
ATOM 515 C CB . THR A 1 69 ? 14.134 -9.316 -16.749 1.00 20.31 ? 63 THR A CB 1
ATOM 516 O OG1 . THR A 1 69 ? 15.536 -9.563 -16.935 1.00 19.37 ? 63 THR A OG1 1
ATOM 517 C CG2 . THR A 1 69 ? 13.758 -9.542 -15.274 1.00 20.32 ? 63 THR A CG2 1
ATOM 518 N N . ALA A 1 70 ? 13.754 -8.881 -19.663 1.00 21.08 ? 64 ALA A N 1
ATOM 519 C CA . ALA A 1 70 ? 14.347 -8.578 -20.972 1.00 21.01 ? 64 ALA A CA 1
ATOM 520 C C . ALA A 1 70 ? 15.831 -8.940 -20.999 1.00 20.52 ? 64 ALA A C 1
ATOM 521 O O . ALA A 1 70 ? 16.301 -9.627 -21.914 1.00 20.35 ? 64 ALA A O 1
ATOM 522 C CB . ALA A 1 70 ? 14.149 -7.099 -21.329 1.00 21.65 ? 64 ALA A CB 1
ATOM 523 N N . ASP A 1 71 ? 16.566 -8.498 -19.982 1.00 19.02 ? 65 ASP A N 1
ATOM 524 C CA . ASP A 1 71 ? 18.007 -8.715 -19.933 1.00 18.43 ? 65 ASP A CA 1
ATOM 525 C C . ASP A 1 71 ? 18.361 -10.162 -19.588 1.00 15.32 ? 65 ASP A C 1
ATOM 526 O O . ASP A 1 71 ? 19.430 -10.656 -19.965 1.00 15.57 ? 65 ASP A O 1
ATOM 527 C CB . ASP A 1 71 ? 18.672 -7.785 -18.910 1.00 21.63 ? 65 ASP A CB 1
ATOM 528 C CG . ASP A 1 71 ? 18.420 -6.314 -19.194 1.00 24.37 ? 65 ASP A CG 1
ATOM 529 O OD1 . ASP A 1 71 ? 18.592 -5.890 -20.357 1.00 26.27 ? 65 ASP A OD1 1
ATOM 530 O OD2 . ASP A 1 71 ? 18.066 -5.582 -18.242 1.00 26.89 ? 65 ASP A OD2 1
ATOM 531 N N . TYR A 1 72 ? 17.465 -10.832 -18.853 1.00 12.77 ? 66 TYR A N 1
ATOM 532 C CA . TYR A 1 72 ? 17.707 -12.192 -18.373 1.00 12.54 ? 66 TYR A CA 1
ATOM 533 C C . TYR A 1 72 ? 16.521 -13.092 -18.689 1.00 11.59 ? 66 TYR A C 1
ATOM 534 O O . TYR A 1 72 ? 15.673 -13.335 -17.832 1.00 12.28 ? 66 TYR A O 1
ATOM 535 C CB . TYR A 1 72 ? 17.972 -12.184 -16.865 1.00 12.61 ? 66 TYR A CB 1
ATOM 536 C CG . TYR A 1 72 ? 19.054 -11.211 -16.421 1.00 12.58 ? 66 TYR A CG 1
ATOM 537 C CD1 . TYR A 1 72 ? 20.385 -11.428 -16.746 1.00 12.04 ? 66 TYR A CD1 1
ATOM 538 C CD2 . TYR A 1 72 ? 18.741 -10.087 -15.668 1.00 12.59 ? 66 TYR A CD2 1
ATOM 539 C CE1 . TYR A 1 72 ? 21.381 -10.543 -16.331 1.00 12.56 ? 66 TYR A CE1 1
ATOM 540 C CE2 . TYR A 1 72 ? 19.719 -9.203 -15.258 1.00 12.84 ? 66 TYR A CE2 1
ATOM 541 C CZ . TYR A 1 72 ? 21.031 -9.435 -15.591 1.00 12.57 ? 66 TYR A CZ 1
ATOM 542 O OH . TYR A 1 72 ? 21.993 -8.547 -15.162 1.00 14.23 ? 66 TYR A OH 1
ATOM 543 N N . PRO A 1 73 ? 16.435 -13.584 -19.927 1.00 10.89 ? 67 PRO A N 1
ATOM 544 C CA . PRO A 1 73 ? 15.363 -14.498 -20.266 1.00 11.31 ? 67 PRO A CA 1
ATOM 545 C C . PRO A 1 73 ? 15.628 -15.842 -19.608 1.00 11.27 ? 67 PRO A C 1
ATOM 546 O O . PRO A 1 73 ? 16.721 -16.091 -19.111 1.00 11.39 ? 67 PRO A O 1
ATOM 547 C CB . PRO A 1 73 ? 15.469 -14.599 -21.790 1.00 12.55 ? 67 PRO A CB 1
ATOM 548 C CG . PRO A 1 73 ? 16.905 -14.319 -22.080 1.00 13.06 ? 67 PRO A CG 1
ATOM 549 C CD . PRO A 1 73 ? 17.323 -13.303 -21.067 1.00 12.46 ? 67 PRO A CD 1
ATOM 550 N N . ALA A 1 74 ? 14.622 -16.699 -19.593 1.00 11.14 ? 68 ALA A N 1
ATOM 551 C CA . ALA A 1 74 ? 14.691 -17.958 -18.878 1.00 11.69 ? 68 ALA A CA 1
ATOM 552 C C . ALA A 1 74 ? 15.933 -18.762 -19.232 1.00 11.15 ? 68 ALA A C 1
ATOM 553 O O . ALA A 1 74 ? 16.588 -19.318 -18.349 1.00 11.78 ? 68 ALA A O 1
ATOM 554 C CB . ALA A 1 74 ? 13.445 -18.775 -19.163 1.00 11.90 ? 68 ALA A CB 1
ATOM 555 N N . GLU A 1 75 ? 16.264 -18.826 -20.520 1.00 11.81 ? 69 GLU A N 1
ATOM 556 C CA . GLU A 1 75 ? 17.376 -19.659 -20.970 1.00 12.81 ? 69 GLU A CA 1
ATOM 557 C C . GLU A 1 75 ? 18.735 -19.141 -20.490 1.00 12.62 ? 69 GLU A C 1
ATOM 558 O O . GLU A 1 75 ? 19.724 -19.869 -20.544 1.00 13.43 ? 69 GLU A O 1
ATOM 559 C CB . GLU A 1 75 ? 17.368 -19.768 -22.503 1.00 13.60 ? 69 GLU A CB 1
ATOM 560 C CG . GLU A 1 75 ? 17.569 -18.443 -23.271 1.00 15.74 ? 69 GLU A CG 1
ATOM 561 C CD . GLU A 1 75 ? 16.278 -17.683 -23.543 1.00 16.47 ? 69 GLU A CD 1
ATOM 562 O OE1 . GLU A 1 75 ? 15.245 -17.979 -22.897 1.00 16.25 ? 69 GLU A OE1 1
ATOM 563 O OE2 . GLU A 1 75 ? 16.293 -16.770 -24.407 1.00 16.99 ? 69 GLU A OE2 1
ATOM 564 N N . ARG A 1 76 ? 18.772 -17.887 -20.048 1.00 12.37 ? 70 ARG A N 1
ATOM 565 C CA . ARG A 1 76 ? 19.982 -17.254 -19.540 1.00 13.34 ? 70 ARG A CA 1
ATOM 566 C C . ARG A 1 76 ? 20.214 -17.502 -18.047 1.00 13.41 ? 70 ARG A C 1
ATOM 567 O O . ARG A 1 76 ? 21.351 -17.475 -17.563 1.00 16.43 ? 70 ARG A O 1
ATOM 568 C CB . ARG A 1 76 ? 19.879 -15.746 -19.787 1.00 13.51 ? 70 ARG A CB 1
ATOM 569 C CG . ARG A 1 76 ? 21.033 -14.945 -19.240 1.00 14.34 ? 70 ARG A CG 1
ATOM 570 C CD . ARG A 1 76 ? 22.288 -15.089 -20.110 1.00 14.24 ? 70 ARG A CD 1
ATOM 571 N NE . ARG A 1 76 ? 23.413 -14.397 -19.480 1.00 15.19 ? 70 ARG A NE 1
ATOM 572 C CZ . ARG A 1 76 ? 23.608 -13.080 -19.524 1.00 15.03 ? 70 ARG A CZ 1
ATOM 573 N NH1 . ARG A 1 76 ? 22.775 -12.285 -20.185 1.00 16.32 ? 70 ARG A NH1 1
ATOM 574 N NH2 . ARG A 1 76 ? 24.657 -12.560 -18.903 1.00 15.34 ? 70 ARG A NH2 1
ATOM 575 N N . ILE A 1 77 ? 19.147 -17.748 -17.297 1.00 11.51 ? 71 ILE A N 1
ATOM 576 C CA . ILE A 1 77 ? 19.261 -17.775 -15.847 1.00 11.64 ? 71 ILE A CA 1
ATOM 577 C C . ILE A 1 77 ? 19.804 -19.116 -15.411 1.00 11.37 ? 71 ILE A C 1
ATOM 578 O O . ILE A 1 77 ? 19.271 -20.160 -15.792 1.00 12.63 ? 71 ILE A O 1
ATOM 579 C CB . ILE A 1 77 ? 17.899 -17.486 -15.185 1.00 11.44 ? 71 ILE A CB 1
ATOM 580 C CG1 . ILE A 1 77 ? 17.418 -16.087 -15.577 1.00 11.50 ? 71 ILE A CG1 1
ATOM 581 C CG2 . ILE A 1 77 ? 17.964 -17.671 -13.667 1.00 11.85 ? 71 ILE A CG2 1
ATOM 582 C CD1 . ILE A 1 77 ? 15.942 -15.870 -15.292 1.00 11.49 ? 71 ILE A CD1 1
ATOM 583 N N . ASP A 1 78 ? 20.867 -19.105 -14.620 1.00 9.85 ? 72 ASP A N 1
ATOM 584 C CA . ASP A 1 78 ? 21.497 -20.337 -14.199 1.00 9.77 ? 72 ASP A CA 1
ATOM 585 C C . ASP A 1 78 ? 20.830 -20.987 -12.991 1.00 9.48 ? 72 ASP A C 1
ATOM 586 O O . ASP A 1 78 ? 20.739 -22.206 -12.913 1.00 9.49 ? 72 ASP A O 1
ATOM 587 C CB . ASP A 1 78 ? 22.977 -20.067 -13.946 1.00 10.70 ? 72 ASP A CB 1
ATOM 588 C CG . ASP A 1 78 ? 23.689 -19.692 -15.227 1.00 12.11 ? 72 ASP A CG 1
ATOM 589 O OD1 . ASP A 1 78 ? 23.784 -20.577 -16.107 1.00 14.83 ? 72 ASP A OD1 1
ATOM 590 O OD2 . ASP A 1 78 ? 24.043 -18.518 -15.428 1.00 11.69 ? 72 ASP A OD2 1
ATOM 591 N N . ALA A 1 79 ? 20.358 -20.179 -12.046 1.00 8.92 ? 73 ALA A N 1
ATOM 592 C CA . ALA A 1 79 ? 19.678 -20.713 -10.876 1.00 8.85 ? 73 ALA A CA 1
ATOM 593 C C . ALA A 1 79 ? 18.942 -19.584 -10.204 1.00 8.93 ? 73 ALA A C 1
ATOM 594 O O . ALA A 1 79 ? 19.258 -18.415 -10.427 1.00 9.11 ? 73 ALA A O 1
ATOM 595 C CB . ALA A 1 79 ? 20.662 -21.351 -9.898 1.00 9.62 ? 73 ALA A CB 1
ATOM 596 N N . SER A 1 80 ? 17.965 -19.947 -9.377 1.00 8.85 ? 74 SER A N 1
ATOM 597 C CA . SER A 1 80 ? 17.211 -18.986 -8.586 1.00 9.74 ? 74 SER A CA 1
ATOM 598 C C . SER A 1 80 ? 17.084 -19.503 -7.174 1.00 9.60 ? 74 SER A C 1
ATOM 599 O O . SER A 1 80 ? 16.974 -20.721 -6.947 1.00 10.48 ? 74 SER A O 1
ATOM 600 C CB . SER A 1 80 ? 15.804 -18.806 -9.145 1.00 11.28 ? 74 SER A CB 1
ATOM 601 O OG . SER A 1 80 ? 15.858 -18.399 -10.502 1.00 12.43 ? 74 SER A OG 1
ATOM 602 N N . ILE A 1 81 ? 17.078 -18.586 -6.219 1.00 8.61 ? 75 ILE A N 1
ATOM 603 C CA . ILE A 1 81 ? 16.889 -18.947 -4.812 1.00 8.88 ? 75 ILE A CA 1
ATOM 604 C C . ILE A 1 81 ? 15.807 -18.058 -4.212 1.00 9.16 ? 75 ILE A C 1
ATOM 605 O O . ILE A 1 81 ? 15.764 -16.855 -4.500 1.00 9.50 ? 75 ILE A O 1
ATOM 606 C CB . ILE A 1 81 ? 18.214 -18.856 -4.014 1.00 9.29 ? 75 ILE A CB 1
ATOM 607 C CG1 . ILE A 1 81 ? 18.050 -19.436 -2.609 1.00 9.55 ? 75 ILE A CG1 1
ATOM 608 C CG2 . ILE A 1 81 ? 18.733 -17.393 -3.935 1.00 9.34 ? 75 ILE A CG2 1
ATOM 609 C CD1 . ILE A 1 81 ? 19.372 -19.619 -1.880 1.00 10.40 ? 75 ILE A CD1 1
ATOM 610 N N . THR A 1 82 ? 14.932 -18.663 -3.414 1.00 9.11 ? 76 THR A N 1
ATOM 611 C CA . THR A 1 82 ? 14.021 -17.918 -2.554 1.00 9.52 ? 76 THR A CA 1
ATOM 612 C C . THR A 1 82 ? 14.525 -18.111 -1.134 1.00 9.34 ? 76 THR A C 1
ATOM 613 O O . THR A 1 82 ? 14.742 -19.246 -0.685 1.00 9.45 ? 76 THR A O 1
ATOM 614 C CB . THR A 1 82 ? 12.589 -18.437 -2.709 1.00 10.42 ? 76 THR A CB 1
ATOM 615 O OG1 . THR A 1 82 ? 12.209 -18.320 -4.078 1.00 11.16 ? 76 THR A OG1 1
ATOM 616 C CG2 . THR A 1 82 ? 11.633 -17.624 -1.868 1.00 11.00 ? 76 THR A CG2 1
ATOM 617 N N . ILE A 1 83 ? 14.754 -16.999 -0.453 1.00 8.94 ? 77 ILE A N 1
ATOM 618 C CA . ILE A 1 83 ? 15.514 -16.984 0.786 1.00 9.51 ? 77 ILE A CA 1
ATOM 619 C C . ILE A 1 83 ? 15.057 -15.813 1.655 1.00 10.15 ? 77 ILE A C 1
ATOM 620 O O . ILE A 1 83 ? 14.727 -14.736 1.136 1.00 10.50 ? 77 ILE A O 1
ATOM 621 C CB . ILE A 1 83 ? 17.039 -16.853 0.450 1.00 9.40 ? 77 ILE A CB 1
ATOM 622 C CG1 . ILE A 1 83 ? 17.905 -16.763 1.711 1.00 9.87 ? 77 ILE A CG1 1
ATOM 623 C CG2 . ILE A 1 83 ? 17.309 -15.639 -0.463 1.00 9.86 ? 77 ILE A CG2 1
ATOM 624 C CD1 . ILE A 1 83 ? 19.394 -16.954 1.437 1.00 10.45 ? 77 ILE A CD1 1
ATOM 625 N N . ASP A 1 84 ? 15.006 -16.018 2.971 1.00 9.89 ? 78 ASP A N 1
ATOM 626 C CA . ASP A 1 84 ? 14.666 -14.908 3.859 1.00 11.28 ? 78 ASP A CA 1
ATOM 627 C C . ASP A 1 84 ? 15.704 -13.793 3.759 1.00 10.60 ? 78 ASP A C 1
ATOM 628 O O . ASP A 1 84 ? 16.903 -14.056 3.701 1.00 10.32 ? 78 ASP A O 1
ATOM 629 C CB . ASP A 1 84 ? 14.605 -15.386 5.308 1.00 12.70 ? 78 ASP A CB 1
ATOM 630 C CG . ASP A 1 84 ? 13.371 -16.205 5.612 1.00 14.13 ? 78 ASP A CG 1
ATOM 631 O OD1 . ASP A 1 84 ? 12.525 -16.419 4.721 1.00 15.01 ? 78 ASP A OD1 1
ATOM 632 O OD2 . ASP A 1 84 ? 13.245 -16.628 6.792 1.00 16.95 ? 78 ASP A OD2 1
ATOM 633 N N . ASP A 1 85 ? 15.227 -12.553 3.781 1.00 10.84 ? 79 ASP A N 1
ATOM 634 C CA . ASP A 1 85 ? 16.091 -11.372 3.860 1.00 11.84 ? 79 ASP A CA 1
ATOM 635 C C . ASP A 1 85 ? 17.213 -11.591 4.869 1.00 11.20 ? 79 ASP A C 1
ATOM 636 O O . ASP A 1 85 ? 18.389 -11.429 4.558 1.00 11.31 ? 79 ASP A O 1
ATOM 637 C CB . ASP A 1 85 ? 15.211 -10.183 4.293 1.00 12.17 ? 79 ASP A CB 1
ATOM 638 C CG . ASP A 1 85 ? 15.992 -8.916 4.600 1.00 13.88 ? 79 ASP A CG 1
ATOM 639 O OD1 . ASP A 1 85 ? 17.077 -8.675 4.031 1.00 13.38 ? 79 ASP A OD1 1
ATOM 640 O OD2 . ASP A 1 85 ? 15.475 -8.138 5.442 1.00 15.44 ? 79 ASP A OD2 1
ATOM 641 N N . ASN A 1 86 ? 16.858 -11.962 6.096 1.00 12.88 ? 80 ASN A N 1
ATOM 642 C CA . ASN A 1 86 ? 17.884 -12.109 7.106 1.00 12.80 ? 80 ASN A CA 1
ATOM 643 C C . ASN A 1 86 ? 18.900 -13.208 6.808 1.00 12.00 ? 80 ASN A C 1
ATOM 644 O O . ASN A 1 86 ? 20.069 -13.080 7.131 1.00 12.29 ? 80 ASN A O 1
ATOM 645 C CB . ASN A 1 86 ? 17.293 -12.325 8.498 1.00 15.13 ? 80 ASN A CB 1
ATOM 646 C CG . ASN A 1 86 ? 18.338 -12.182 9.581 1.00 16.53 ? 80 ASN A CG 1
ATOM 647 O OD1 . ASN A 1 86 ? 18.890 -11.097 9.774 1.00 18.31 ? 80 ASN A OD1 1
ATOM 648 N ND2 . ASN A 1 86 ? 18.649 -13.283 10.269 1.00 17.01 ? 80 ASN A ND2 1
ATOM 649 N N . ASP A 1 87 ? 18.447 -14.311 6.219 1.00 10.97 ? 81 ASP A N 1
ATOM 650 C CA . ASP A 1 87 ? 19.342 -15.398 5.883 1.00 11.44 ? 81 ASP A CA 1
ATOM 651 C C . ASP A 1 87 ? 20.324 -15.007 4.769 1.00 9.93 ? 81 ASP A C 1
ATOM 652 O O . ASP A 1 87 ? 21.472 -15.416 4.786 1.00 10.64 ? 81 ASP A O 1
ATOM 653 C CB . ASP A 1 87 ? 18.544 -16.646 5.492 1.00 11.36 ? 81 ASP A CB 1
ATOM 654 C CG . ASP A 1 87 ? 17.996 -17.386 6.697 1.00 13.62 ? 81 ASP A CG 1
ATOM 655 O OD1 . ASP A 1 87 ? 18.570 -17.227 7.788 1.00 14.22 ? 81 ASP A OD1 1
ATOM 656 O OD2 . ASP A 1 87 ? 17.016 -18.134 6.541 1.00 14.17 ? 81 ASP A OD2 1
ATOM 657 N N . PHE A 1 88 ? 19.853 -14.214 3.804 1.00 9.94 ? 82 PHE A N 1
ATOM 658 C CA . PHE A 1 88 ? 20.753 -13.724 2.771 1.00 10.56 ? 82 PHE A CA 1
ATOM 659 C C . PHE A 1 88 ? 21.818 -12.833 3.415 1.00 10.42 ? 82 PHE A C 1
ATOM 660 O O . PHE A 1 88 ? 23.002 -12.922 3.098 1.00 10.42 ? 82 PHE A O 1
ATOM 661 C CB . PHE A 1 88 ? 19.984 -12.971 1.673 1.00 11.60 ? 82 PHE A CB 1
ATOM 662 C CG . PHE A 1 88 ? 20.860 -12.530 0.530 1.00 11.75 ? 82 PHE A CG 1
ATOM 663 C CD1 . PHE A 1 88 ? 21.127 -13.391 -0.527 1.00 12.58 ? 82 PHE A CD1 1
ATOM 664 C CD2 . PHE A 1 88 ? 21.446 -11.274 0.528 1.00 12.10 ? 82 PHE A CD2 1
ATOM 665 C CE1 . PHE A 1 88 ? 21.966 -12.994 -1.567 1.00 13.67 ? 82 PHE A CE1 1
ATOM 666 C CE2 . PHE A 1 88 ? 22.275 -10.873 -0.514 1.00 13.27 ? 82 PHE A CE2 1
ATOM 667 C CZ . PHE A 1 88 ? 22.527 -11.733 -1.555 1.00 13.44 ? 82 PHE A CZ 1
ATOM 668 N N . TYR A 1 89 ? 21.382 -11.969 4.320 1.00 10.65 ? 83 TYR A N 1
ATOM 669 C CA . TYR A 1 89 ? 22.324 -11.151 5.077 1.00 11.31 ? 83 TYR A CA 1
ATOM 670 C C . TYR A 1 89 ? 23.362 -11.987 5.818 1.00 10.69 ? 83 TYR A C 1
ATOM 671 O O . TYR A 1 89 ? 24.551 -11.668 5.813 1.00 11.05 ? 83 TYR A O 1
ATOM 672 C CB . TYR A 1 89 ? 21.566 -10.255 6.051 1.00 14.54 ? 83 TYR A CB 1
ATOM 673 C CG . TYR A 1 89 ? 22.471 -9.353 6.853 1.00 16.09 ? 83 TYR A CG 1
ATOM 674 C CD1 . TYR A 1 89 ? 22.912 -8.143 6.326 1.00 16.75 ? 83 TYR A CD1 1
ATOM 675 C CD2 . TYR A 1 89 ? 22.878 -9.709 8.137 1.00 16.95 ? 83 TYR A CD2 1
ATOM 676 C CE1 . TYR A 1 89 ? 23.739 -7.304 7.059 1.00 17.37 ? 83 TYR A CE1 1
ATOM 677 C CE2 . TYR A 1 89 ? 23.710 -8.878 8.876 1.00 17.60 ? 83 TYR A CE2 1
ATOM 678 C CZ . TYR A 1 89 ? 24.134 -7.684 8.323 1.00 17.63 ? 83 TYR A CZ 1
ATOM 679 O OH . TYR A 1 89 ? 24.950 -6.845 9.057 1.00 19.46 ? 83 TYR A OH 1
ATOM 680 N N . LEU A 1 90 ? 22.913 -13.064 6.455 1.00 9.74 ? 84 LEU A N 1
ATOM 681 C CA . LEU A 1 90 ? 23.842 -13.950 7.150 1.00 10.16 ? 84 LEU A CA 1
ATOM 682 C C . LEU A 1 90 ? 24.857 -14.590 6.219 1.00 9.62 ? 84 LEU A C 1
ATOM 683 O O . LEU A 1 90 ? 26.024 -14.712 6.561 1.00 11.79 ? 84 LEU A O 1
ATOM 684 C CB . LEU A 1 90 ? 23.113 -15.038 7.937 1.00 12.87 ? 84 LEU A CB 1
ATOM 685 C CG . LEU A 1 90 ? 22.270 -14.536 9.114 1.00 14.02 ? 84 LEU A CG 1
ATOM 686 C CD1 . LEU A 1 90 ? 21.489 -15.714 9.692 1.00 15.16 ? 84 LEU A CD1 1
ATOM 687 C CD2 . LEU A 1 90 ? 23.117 -13.847 10.180 1.00 14.72 ? 84 LEU A CD2 1
ATOM 688 N N . VAL A 1 91 ? 24.420 -15.027 5.036 1.00 9.00 ? 85 VAL A N 1
ATOM 689 C CA . VAL A 1 91 ? 25.385 -15.575 4.086 1.00 9.19 ? 85 VAL A CA 1
ATOM 690 C C . VAL A 1 91 ? 26.365 -14.481 3.648 1.00 9.87 ? 85 VAL A C 1
ATOM 691 O O . VAL A 1 91 ? 27.568 -14.701 3.593 1.00 10.26 ? 85 VAL A O 1
ATOM 692 C CB . VAL A 1 91 ? 24.699 -16.190 2.839 1.00 10.51 ? 85 VAL A CB 1
ATOM 693 C CG1 . VAL A 1 91 ? 25.751 -16.649 1.859 1.00 10.92 ? 85 VAL A CG1 1
ATOM 694 C CG2 . VAL A 1 91 ? 23.825 -17.365 3.241 1.00 11.17 ? 85 VAL A CG2 1
ATOM 695 N N . ALA A 1 92 ? 25.823 -13.312 3.324 1.00 10.24 ? 86 ALA A N 1
ATOM 696 C CA . ALA A 1 92 ? 26.626 -12.201 2.833 1.00 10.81 ? 86 ALA A CA 1
ATOM 697 C C . ALA A 1 92 ? 27.639 -11.687 3.864 1.00 11.17 ? 86 ALA A C 1
ATOM 698 O O . ALA A 1 92 ? 28.652 -11.115 3.474 1.00 12.21 ? 86 ALA A O 1
ATOM 699 C CB . ALA A 1 92 ? 25.699 -11.080 2.373 1.00 11.26 ? 86 ALA A CB 1
ATOM 700 N N . THR A 1 93 ? 27.349 -11.882 5.153 1.00 11.16 ? 87 THR A N 1
ATOM 701 C CA . THR A 1 93 ? 28.289 -11.523 6.226 1.00 12.31 ? 87 THR A CA 1
ATOM 702 C C . THR A 1 93 ? 29.093 -12.710 6.762 1.00 13.16 ? 87 THR A C 1
ATOM 703 O O . THR A 1 93 ? 29.737 -12.607 7.814 1.00 14.37 ? 87 THR A O 1
ATOM 704 C CB . THR A 1 93 ? 27.573 -10.799 7.366 1.00 11.18 ? 87 THR A CB 1
ATOM 705 O OG1 . THR A 1 93 ? 26.459 -11.583 7.837 1.00 12.32 ? 87 THR A OG1 1
ATOM 706 C CG2 . THR A 1 93 ? 27.077 -9.431 6.898 1.00 12.57 ? 87 THR A CG2 1
ATOM 707 N N . LYS A 1 94 ? 29.070 -13.826 6.037 1.00 12.61 ? 88 LYS A N 1
ATOM 708 C CA . LYS A 1 94 ? 29.897 -15.007 6.314 1.00 12.52 ? 88 LYS A CA 1
ATOM 709 C C . LYS A 1 94 ? 29.574 -15.673 7.656 1.00 11.78 ? 88 LYS A C 1
ATOM 710 O O . LYS A 1 94 ? 30.445 -16.300 8.278 1.00 11.70 ? 88 LYS A O 1
ATOM 711 C CB . LYS A 1 94 ? 31.392 -14.694 6.132 1.00 13.15 ? 88 LYS A CB 1
ATOM 712 C CG . LYS A 1 94 ? 31.727 -14.216 4.704 1.00 11.83 ? 88 LYS A CG 1
ATOM 713 C CD . LYS A 1 94 ? 33.220 -14.120 4.407 1.00 13.76 ? 88 LYS A CD 1
ATOM 714 C CE . LYS A 1 94 ? 33.466 -13.643 2.968 1.00 13.38 ? 88 LYS A CE 1
ATOM 715 N NZ . LYS A 1 94 ? 34.909 -13.489 2.630 1.00 15.81 ? 88 LYS A NZ 1
ATOM 716 N N . GLU A 1 95 ? 28.311 -15.571 8.061 1.00 12.35 ? 89 GLU A N 1
ATOM 717 C CA . GLU A 1 95 ? 27.850 -16.178 9.304 1.00 13.60 ? 89 GLU A CA 1
ATOM 718 C C . GLU A 1 95 ? 27.160 -17.508 9.063 1.00 13.25 ? 89 GLU A C 1
ATOM 719 O O . GLU A 1 95 ? 26.980 -18.280 10.000 1.00 14.42 ? 89 GLU A O 1
ATOM 720 C CB A GLU A 1 95 ? 26.823 -15.273 10.002 0.65 16.14 ? 89 GLU A CB 1
ATOM 721 C CB B GLU A 1 95 ? 26.968 -15.210 10.093 0.35 14.03 ? 89 GLU A CB 1
ATOM 722 C CG A GLU A 1 95 ? 27.148 -13.811 10.046 0.65 18.72 ? 89 GLU A CG 1
ATOM 723 C CG B GLU A 1 95 ? 27.735 -14.033 10.667 0.35 14.72 ? 89 GLU A CG 1
ATOM 724 C CD A GLU A 1 95 ? 28.140 -13.479 11.125 0.65 19.56 ? 89 GLU A CD 1
ATOM 725 C CD B GLU A 1 95 ? 26.985 -13.345 11.785 0.35 15.13 ? 89 GLU A CD 1
ATOM 726 O OE1 A GLU A 1 95 ? 28.823 -14.404 11.622 0.65 20.49 ? 89 GLU A OE1 1
ATOM 727 O OE1 B GLU A 1 95 ? 27.381 -12.235 12.157 0.35 14.54 ? 89 GLU A OE1 1
ATOM 728 O OE2 A GLU A 1 95 ? 28.235 -12.288 11.479 0.65 19.94 ? 89 GLU A OE2 1
ATOM 729 O OE2 B GLU A 1 95 ? 25.999 -13.917 12.284 0.35 15.69 ? 89 GLU A OE2 1
ATOM 730 N N . THR A 1 96 ? 26.713 -17.740 7.829 1.00 12.12 ? 90 THR A N 1
ATOM 731 C CA . THR A 1 96 ? 26.211 -19.048 7.406 1.00 11.28 ? 90 THR A CA 1
ATOM 732 C C . THR A 1 96 ? 26.526 -19.205 5.918 1.00 10.99 ? 90 THR A C 1
ATOM 733 O O . THR A 1 96 ? 27.142 -18.310 5.316 1.00 10.66 ? 90 THR A O 1
ATOM 734 C CB . THR A 1 96 ? 24.710 -19.212 7.708 1.00 11.20 ? 90 THR A CB 1
ATOM 735 O OG1 . THR A 1 96 ? 24.356 -20.605 7.634 1.00 13.31 ? 90 THR A OG1 1
ATOM 736 C CG2 . THR A 1 96 ? 23.853 -18.425 6.748 1.00 11.91 ? 90 THR A CG2 1
ATOM 737 N N . SER A 1 97 ? 26.167 -20.350 5.334 1.00 11.10 ? 91 SER A N 1
ATOM 738 C CA . SER A 1 97 ? 26.454 -20.609 3.923 1.00 10.72 ? 91 SER A CA 1
ATOM 739 C C . SER A 1 97 ? 25.180 -21.065 3.230 1.00 11.09 ? 91 SER A C 1
ATOM 740 O O . SER A 1 97 ? 24.230 -21.456 3.889 1.00 10.63 ? 91 SER A O 1
ATOM 741 C CB . SER A 1 97 ? 27.493 -21.719 3.799 1.00 12.34 ? 91 SER A CB 1
ATOM 742 O OG . SER A 1 97 ? 26.943 -22.924 4.326 1.00 12.73 ? 91 SER A OG 1
ATOM 743 N N . PHE A 1 98 ? 25.162 -21.016 1.902 1.00 10.94 ? 92 PHE A N 1
ATOM 744 C CA . PHE A 1 98 ? 24.009 -21.564 1.193 1.00 10.58 ? 92 PHE A CA 1
ATOM 745 C C . PHE A 1 98 ? 23.854 -23.058 1.512 1.00 11.03 ? 92 PHE A C 1
ATOM 746 O O . PHE A 1 98 ? 22.727 -23.541 1.693 1.00 11.68 ? 92 PHE A O 1
ATOM 747 C CB . PHE A 1 98 ? 24.133 -21.341 -0.312 1.00 10.66 ? 92 PHE A CB 1
ATOM 748 C CG . PHE A 1 98 ? 23.998 -19.897 -0.728 1.00 9.73 ? 92 PHE A CG 1
ATOM 749 C CD1 . PHE A 1 98 ? 22.814 -19.226 -0.513 1.00 10.75 ? 92 PHE A CD1 1
ATOM 750 C CD2 . PHE A 1 98 ? 25.050 -19.217 -1.331 1.00 11.04 ? 92 PHE A CD2 1
ATOM 751 C CE1 . PHE A 1 98 ? 22.666 -17.882 -0.895 1.00 11.26 ? 92 PHE A CE1 1
ATOM 752 C CE2 . PHE A 1 98 ? 24.905 -17.887 -1.708 1.00 11.23 ? 92 PHE A CE2 1
ATOM 753 C CZ . PHE A 1 98 ? 23.720 -17.213 -1.481 1.00 10.76 ? 92 PHE A CZ 1
ATOM 754 N N . ALA A 1 99 ? 24.959 -23.793 1.609 1.00 11.30 ? 93 ALA A N 1
ATOM 755 C CA . ALA A 1 99 ? 24.848 -25.227 1.890 1.00 10.96 ? 93 ALA A CA 1
ATOM 756 C C . ALA A 1 99 ? 24.185 -25.455 3.232 1.00 12.05 ? 93 ALA A C 1
ATOM 757 O O . ALA A 1 99 ? 23.318 -26.347 3.377 1.00 12.35 ? 93 ALA A O 1
ATOM 758 C CB . ALA A 1 99 ? 26.216 -25.867 1.874 1.00 11.80 ? 93 ALA A CB 1
ATOM 759 N N . ALA A 1 100 ? 24.553 -24.662 4.228 1.00 11.24 ? 94 ALA A N 1
ATOM 760 C CA . ALA A 1 100 ? 23.955 -24.797 5.548 1.00 11.16 ? 94 ALA A CA 1
ATOM 761 C C . ALA A 1 100 ? 22.453 -24.502 5.500 1.00 11.52 ? 94 ALA A C 1
ATOM 762 O O . ALA A 1 100 ? 21.639 -25.202 6.125 1.00 13.29 ? 94 ALA A O 1
ATOM 763 C CB . ALA A 1 100 ? 24.676 -23.877 6.573 1.00 12.29 ? 94 ALA A CB 1
ATOM 764 N N . LEU A 1 101 ? 22.058 -23.474 4.753 1.00 11.32 ? 95 LEU A N 1
ATOM 765 C CA . LEU A 1 101 ? 20.637 -23.154 4.637 1.00 11.75 ? 95 LEU A CA 1
ATOM 766 C C . LEU A 1 101 ? 19.864 -24.286 3.956 1.00 11.37 ? 95 LEU A C 1
ATOM 767 O O . LEU A 1 101 ? 18.725 -24.584 4.349 1.00 11.91 ? 95 LEU A O 1
ATOM 768 C CB . LEU A 1 101 ? 20.438 -21.832 3.890 1.00 11.86 ? 95 LEU A CB 1
ATOM 769 C CG . LEU A 1 101 ? 20.934 -20.588 4.639 1.00 11.41 ? 95 LEU A CG 1
ATOM 770 C CD1 . LEU A 1 101 ? 20.858 -19.382 3.722 1.00 12.04 ? 95 LEU A CD1 1
ATOM 771 C CD2 . LEU A 1 101 ? 20.139 -20.349 5.905 1.00 13.46 ? 95 LEU A CD2 1
ATOM 772 N N . ILE A 1 102 ? 20.480 -24.901 2.949 1.00 11.43 ? 96 ILE A N 1
ATOM 773 C CA . ILE A 1 102 ? 19.883 -26.059 2.261 1.00 12.43 ? 96 ILE A CA 1
ATOM 774 C C . ILE A 1 102 ? 19.717 -27.226 3.241 1.00 13.34 ? 96 ILE A C 1
ATOM 775 O O . ILE A 1 102 ? 18.642 -27.851 3.315 1.00 13.39 ? 96 ILE A O 1
ATOM 776 C CB . ILE A 1 102 ? 20.734 -26.478 1.069 1.00 12.09 ? 96 ILE A CB 1
ATOM 777 C CG1 . ILE A 1 102 ? 20.692 -25.390 -0.011 1.00 12.80 ? 96 ILE A CG1 1
ATOM 778 C CG2 . ILE A 1 102 ? 20.249 -27.833 0.495 1.00 12.34 ? 96 ILE A CG2 1
ATOM 779 C CD1 . ILE A 1 102 ? 21.800 -25.491 -1.034 1.00 14.01 ? 96 ILE A CD1 1
ATOM 780 N N . GLU A 1 103 ? 20.754 -27.485 4.024 1.00 13.98 ? 97 GLU A N 1
ATOM 781 C CA . GLU A 1 103 ? 20.690 -28.548 5.023 1.00 15.49 ? 97 GLU A CA 1
ATOM 782 C C . GLU A 1 103 ? 19.517 -28.337 5.972 1.00 15.04 ? 97 GLU A C 1
ATOM 783 O O . GLU A 1 103 ? 18.845 -29.291 6.365 1.00 14.75 ? 97 GLU A O 1
ATOM 784 C CB . GLU A 1 103 ? 22.014 -28.608 5.786 1.00 17.16 ? 97 GLU A CB 1
ATOM 785 C CG . GLU A 1 103 ? 22.049 -29.677 6.870 1.00 19.98 ? 97 GLU A CG 1
ATOM 786 C CD . GLU A 1 103 ? 23.402 -29.786 7.552 1.00 21.96 ? 97 GLU A CD 1
ATOM 787 O OE1 . GLU A 1 103 ? 23.704 -30.883 8.076 1.00 26.04 ? 97 GLU A OE1 1
ATOM 788 O OE2 . GLU A 1 103 ? 24.160 -28.788 7.564 1.00 25.01 ? 97 GLU A OE2 1
ATOM 789 N N . GLN A 1 104 ? 19.263 -27.084 6.325 1.00 13.56 ? 98 GLN A N 1
ATOM 790 C CA . GLN A 1 104 ? 18.270 -26.690 7.308 1.00 14.23 ? 98 GLN A CA 1
ATOM 791 C C . GLN A 1 104 ? 16.877 -26.511 6.693 1.00 12.74 ? 98 GLN A C 1
ATOM 792 O O . GLN A 1 104 ? 15.923 -26.181 7.396 1.00 13.81 ? 98 GLN A O 1
ATOM 793 C CB . GLN A 1 104 ? 18.728 -25.381 7.980 1.00 15.56 ? 98 GLN A CB 1
ATOM 794 C CG . GLN A 1 104 ? 19.999 -25.555 8.833 1.00 16.45 ? 98 GLN A CG 1
ATOM 795 C CD . GLN A 1 104 ? 20.839 -24.274 9.009 1.00 17.41 ? 98 GLN A CD 1
ATOM 796 O OE1 . GLN A 1 104 ? 20.346 -23.155 8.891 1.00 19.38 ? 98 GLN A OE1 1
ATOM 797 N NE2 . GLN A 1 104 ? 22.123 -24.460 9.302 1.00 20.00 ? 98 GLN A NE2 1
ATOM 798 N N . GLY A 1 105 ? 16.762 -26.717 5.384 1.00 12.02 ? 99 GLY A N 1
ATOM 799 C CA . GLY A 1 105 ? 15.465 -26.564 4.701 1.00 12.14 ? 99 GLY A CA 1
ATOM 800 C C . GLY A 1 105 ? 14.946 -25.133 4.647 1.00 11.90 ? 99 GLY A C 1
ATOM 801 O O . GLY A 1 105 ? 13.738 -24.917 4.538 1.00 12.05 ? 99 GLY A O 1
ATOM 802 N N . LYS A 1 106 ? 15.854 -24.154 4.693 1.00 11.45 ? 100 LYS A N 1
ATOM 803 C CA . LYS A 1 106 ? 15.468 -22.753 4.821 1.00 11.58 ? 100 LYS A CA 1
ATOM 804 C C . LYS A 1 106 ? 15.319 -22.005 3.503 1.00 10.77 ? 100 LYS A C 1
ATOM 805 O O . LYS A 1 106 ? 14.872 -20.858 3.504 1.00 12.14 ? 100 LYS A O 1
ATOM 806 C CB . LYS A 1 106 ? 16.462 -22.008 5.721 1.00 12.12 ? 100 LYS A CB 1
ATOM 807 C CG . LYS A 1 106 ? 16.344 -22.406 7.175 1.00 14.23 ? 100 LYS A CG 1
ATOM 808 C CD . LYS A 1 106 ? 17.417 -21.731 8.004 1.00 15.41 ? 100 LYS A CD 1
ATOM 809 C CE . LYS A 1 106 ? 17.160 -21.924 9.494 1.00 16.94 ? 100 LYS A CE 1
ATOM 810 N NZ . LYS A 1 106 ? 18.360 -21.515 10.288 1.00 18.40 ? 100 LYS A NZ 1
ATOM 811 N N . VAL A 1 107 ? 15.684 -22.640 2.402 1.00 10.13 ? 101 VAL A N 1
ATOM 812 C CA . VAL A 1 107 ? 15.633 -21.964 1.105 1.00 10.04 ? 101 VAL A CA 1
ATOM 813 C C . VAL A 1 107 ? 15.041 -22.855 0.041 1.00 10.43 ? 101 VAL A C 1
ATOM 814 O O . VAL A 1 107 ? 14.954 -24.073 0.205 1.00 10.54 ? 101 VAL A O 1
ATOM 815 C CB . VAL A 1 107 ? 17.038 -21.501 0.640 1.00 9.96 ? 101 VAL A CB 1
ATOM 816 C CG1 . VAL A 1 107 ? 17.598 -20.422 1.571 1.00 11.08 ? 101 VAL A CG1 1
ATOM 817 C CG2 . VAL A 1 107 ? 18.020 -22.683 0.565 1.00 11.19 ? 101 VAL A CG2 1
ATOM 818 N N . ASP A 1 108 ? 14.606 -22.237 -1.047 1.00 9.73 ? 102 ASP A N 1
ATOM 819 C CA . ASP A 1 108 ? 14.187 -22.987 -2.220 1.00 10.30 ? 102 ASP A CA 1
ATOM 820 C C . ASP A 1 108 ? 15.097 -22.643 -3.380 1.00 10.10 ? 102 ASP A C 1
ATOM 821 O O . ASP A 1 108 ? 15.305 -21.461 -3.674 1.00 10.52 ? 102 ASP A O 1
ATOM 822 C CB . ASP A 1 108 ? 12.752 -22.613 -2.605 1.00 11.17 ? 102 ASP A CB 1
ATOM 823 C CG . ASP A 1 108 ? 12.175 -23.542 -3.655 1.00 12.72 ? 102 ASP A CG 1
ATOM 824 O OD1 . ASP A 1 108 ? 11.720 -24.636 -3.274 1.00 13.90 ? 102 ASP A OD1 1
ATOM 825 O OD2 . ASP A 1 108 ? 12.180 -23.181 -4.852 1.00 13.87 ? 102 ASP A OD2 1
ATOM 826 N N . ILE A 1 109 ? 15.643 -23.644 -4.050 1.00 9.81 ? 103 ILE A N 1
ATOM 827 C CA . ILE A 1 109 ? 16.515 -23.394 -5.185 1.00 11.11 ? 103 ILE A CA 1
ATOM 828 C C . ILE A 1 109 ? 16.023 -24.140 -6.411 1.00 11.69 ? 103 ILE A C 1
ATOM 829 O O . ILE A 1 109 ? 15.711 -25.328 -6.330 1.00 14.35 ? 103 ILE A O 1
ATOM 830 C CB . ILE A 1 109 ? 17.958 -23.830 -4.888 1.00 12.23 ? 103 ILE A CB 1
ATOM 831 C CG1 . ILE A 1 109 ? 18.558 -22.957 -3.776 1.00 11.91 ? 103 ILE A CG1 1
ATOM 832 C CG2 . ILE A 1 109 ? 18.826 -23.753 -6.147 1.00 13.83 ? 103 ILE A CG2 1
ATOM 833 C CD1 . ILE A 1 109 ? 19.899 -23.470 -3.293 1.00 13.38 ? 103 ILE A CD1 1
ATOM 834 N N . THR A 1 110 ? 15.964 -23.438 -7.537 1.00 10.77 ? 104 THR A N 1
ATOM 835 C CA . THR A 1 110 ? 15.690 -24.071 -8.818 1.00 11.78 ? 104 THR A CA 1
ATOM 836 C C . THR A 1 110 ? 16.822 -23.758 -9.774 1.00 11.39 ? 104 THR A C 1
ATOM 837 O O . THR A 1 110 ? 17.633 -22.849 -9.534 1.00 11.59 ? 104 THR A O 1
ATOM 838 C CB . THR A 1 110 ? 14.365 -23.612 -9.444 1.00 14.07 ? 104 THR A CB 1
ATOM 839 O OG1 . THR A 1 110 ? 14.399 -22.198 -9.655 1.00 14.96 ? 104 THR A OG1 1
ATOM 840 C CG2 . THR A 1 110 ? 13.181 -24.005 -8.559 1.00 15.28 ? 104 THR A CG2 1
ATOM 841 N N . GLY A 1 111 ? 16.861 -24.479 -10.886 1.00 10.52 ? 105 GLY A N 1
ATOM 842 C CA . GLY A 1 111 ? 17.993 -24.380 -11.775 1.00 10.82 ? 105 GLY A CA 1
ATOM 843 C C . GLY A 1 111 ? 19.161 -25.134 -11.169 1.00 11.20 ? 105 GLY A C 1
ATOM 844 O O . GLY A 1 111 ? 18.985 -26.138 -10.453 1.00 13.05 ? 105 GLY A O 1
ATOM 845 N N . ASN A 1 112 ? 20.364 -24.652 -11.451 1.00 10.52 ? 106 ASN A N 1
ATOM 846 C CA . ASN A 1 112 ? 21.575 -25.357 -11.051 1.00 11.24 ? 106 ASN A CA 1
ATOM 847 C C . ASN A 1 112 ? 21.980 -25.028 -9.616 1.00 10.96 ? 106 ASN A C 1
ATOM 848 O O . ASN A 1 112 ? 22.643 -24.026 -9.368 1.00 10.61 ? 106 ASN A O 1
ATOM 849 C CB . ASN A 1 112 ? 22.713 -25.034 -12.011 1.00 11.91 ? 106 ASN A CB 1
ATOM 850 C CG . ASN A 1 112 ? 23.974 -25.779 -11.667 1.00 13.19 ? 106 ASN A CG 1
ATOM 851 O OD1 . ASN A 1 112 ? 23.943 -26.752 -10.911 1.00 14.11 ? 106 ASN A OD1 1
ATOM 852 N ND2 . ASN A 1 112 ? 25.094 -25.327 -12.209 1.00 13.56 ? 106 ASN A ND2 1
ATOM 853 N N . LYS A 1 113 ? 21.591 -25.886 -8.680 1.00 11.30 ? 107 LYS A N 1
ATOM 854 C CA . LYS A 1 113 ? 21.953 -25.727 -7.276 1.00 12.38 ? 107 LYS A CA 1
ATOM 855 C C . LYS A 1 113 ? 23.462 -25.592 -7.071 1.00 12.09 ? 107 LYS A C 1
ATOM 856 O O . LYS A 1 113 ? 23.924 -24.882 -6.173 1.00 12.30 ? 107 LYS A O 1
ATOM 857 C CB . LYS A 1 113 ? 21.427 -26.921 -6.474 1.00 15.37 ? 107 LYS A CB 1
ATOM 858 C CG . LYS A 1 113 ? 21.781 -26.894 -4.989 1.00 19.37 ? 107 LYS A CG 1
ATOM 859 C CD . LYS A 1 113 ? 20.938 -27.860 -4.185 1.00 22.76 ? 107 LYS A CD 1
ATOM 860 C CE . LYS A 1 113 ? 21.141 -29.284 -4.605 1.00 24.86 ? 107 LYS A CE 1
ATOM 861 N NZ . LYS A 1 113 ? 20.468 -30.183 -3.617 1.00 27.08 ? 107 LYS A NZ 1
ATOM 862 N N . GLN A 1 114 ? 24.242 -26.281 -7.893 1.00 12.28 ? 108 GLN A N 1
ATOM 863 C CA . GLN A 1 114 ? 25.691 -26.253 -7.721 1.00 12.07 ? 108 GLN A CA 1
ATOM 864 C C . GLN A 1 114 ? 26.246 -24.853 -7.950 1.00 11.77 ? 108 GLN A C 1
ATOM 865 O O . GLN A 1 114 ? 27.323 -24.523 -7.460 1.00 11.83 ? 108 GLN A O 1
ATOM 866 C CB . GLN A 1 114 ? 26.374 -27.268 -8.645 1.00 13.61 ? 108 GLN A CB 1
ATOM 867 C CG . GLN A 1 114 ? 27.885 -27.367 -8.445 1.00 16.72 ? 108 GLN A CG 1
ATOM 868 C CD . GLN A 1 114 ? 28.267 -27.741 -7.017 1.00 19.63 ? 108 GLN A CD 1
ATOM 869 O OE1 . GLN A 1 114 ? 27.713 -28.684 -6.432 1.00 21.36 ? 108 GLN A OE1 1
ATOM 870 N NE2 . GLN A 1 114 ? 29.223 -27.002 -6.450 1.00 20.70 ? 108 GLN A NE2 1
ATOM 871 N N . ALA A 1 115 ? 25.527 -23.999 -8.668 1.00 10.29 ? 109 ALA A N 1
ATOM 872 C CA . ALA A 1 115 ? 25.970 -22.617 -8.819 1.00 9.60 ? 109 ALA A CA 1
ATOM 873 C C . ALA A 1 115 ? 26.041 -21.905 -7.466 1.00 10.30 ? 109 ALA A C 1
ATOM 874 O O . ALA A 1 115 ? 26.976 -21.140 -7.226 1.00 10.33 ? 109 ALA A O 1
ATOM 875 C CB . ALA A 1 115 ? 25.082 -21.843 -9.789 1.00 10.59 ? 109 ALA A CB 1
ATOM 876 N N . PHE A 1 116 ? 25.083 -22.167 -6.586 1.00 10.62 ? 110 PHE A N 1
ATOM 877 C CA . PHE A 1 116 ? 25.121 -21.561 -5.254 1.00 10.51 ? 110 PHE A CA 1
ATOM 878 C C . PHE A 1 116 ? 26.190 -22.179 -4.375 1.00 11.50 ? 110 PHE A C 1
ATOM 879 O O . PHE A 1 116 ? 26.839 -21.484 -3.587 1.00 11.97 ? 110 PHE A O 1
ATOM 880 C CB . PHE A 1 116 ? 23.746 -21.624 -4.580 1.00 10.28 ? 110 PHE A CB 1
ATOM 881 C CG . PHE A 1 116 ? 22.767 -20.641 -5.142 1.00 9.47 ? 110 PHE A CG 1
ATOM 882 C CD1 . PHE A 1 116 ? 22.824 -19.303 -4.781 1.00 10.29 ? 110 PHE A CD1 1
ATOM 883 C CD2 . PHE A 1 116 ? 21.788 -21.052 -6.044 1.00 10.72 ? 110 PHE A CD2 1
ATOM 884 C CE1 . PHE A 1 116 ? 21.938 -18.392 -5.312 1.00 11.44 ? 110 PHE A CE1 1
ATOM 885 C CE2 . PHE A 1 116 ? 20.897 -20.148 -6.559 1.00 11.00 ? 110 PHE A CE2 1
ATOM 886 C CZ . PHE A 1 116 ? 20.972 -18.814 -6.220 1.00 10.71 ? 110 PHE A CZ 1
ATOM 887 N N . LEU A 1 117 ? 26.395 -23.481 -4.501 1.00 11.34 ? 111 LEU A N 1
ATOM 888 C CA . LEU A 1 117 ? 27.466 -24.131 -3.751 1.00 12.62 ? 111 LEU A CA 1
ATOM 889 C C . LEU A 1 117 ? 28.848 -23.658 -4.208 1.00 12.10 ? 111 LEU A C 1
ATOM 890 O O . LEU A 1 117 ? 29.742 -23.445 -3.389 1.00 13.94 ? 111 LEU A O 1
ATOM 891 C CB . LEU A 1 117 ? 27.346 -25.661 -3.839 1.00 14.26 ? 111 LEU A CB 1
ATOM 892 C CG . LEU A 1 117 ? 25.993 -26.225 -3.396 1.00 15.58 ? 111 LEU A CG 1
ATOM 893 C CD1 . LEU A 1 117 ? 25.933 -27.744 -3.623 1.00 17.25 ? 111 LEU A CD1 1
ATOM 894 C CD2 . LEU A 1 117 ? 25.711 -25.897 -1.935 1.00 17.44 ? 111 LEU A CD2 1
ATOM 895 N N . THR A 1 118 ? 29.031 -23.484 -5.505 1.00 11.60 ? 112 THR A N 1
ATOM 896 C CA . THR A 1 118 ? 30.266 -22.916 -6.039 1.00 12.17 ? 112 THR A CA 1
ATOM 897 C C . THR A 1 118 ? 30.416 -21.465 -5.569 1.00 12.68 ? 112 THR A C 1
ATOM 898 O O . THR A 1 118 ? 31.522 -21.025 -5.222 1.00 12.38 ? 112 THR A O 1
ATOM 899 C CB . THR A 1 118 ? 30.288 -23.014 -7.560 1.00 12.99 ? 112 THR A CB 1
ATOM 900 O OG1 . THR A 1 118 ? 30.210 -24.401 -7.914 1.00 15.14 ? 112 THR A OG1 1
ATOM 901 C CG2 . THR A 1 118 ? 31.568 -22.421 -8.125 1.00 14.07 ? 112 THR A CG2 1
ATOM 902 N N . LEU A 1 119 ? 29.321 -20.714 -5.530 1.00 11.59 ? 113 LEU A N 1
ATOM 903 C CA . LEU A 1 119 ? 29.383 -19.362 -4.997 1.00 11.44 ? 113 LEU A CA 1
ATOM 904 C C . LEU A 1 119 ? 29.847 -19.395 -3.532 1.00 11.79 ? 113 LEU A C 1
ATOM 905 O O . LEU A 1 119 ? 30.703 -18.579 -3.155 1.00 12.35 ? 113 LEU A O 1
ATOM 906 C CB . LEU A 1 119 ? 28.041 -18.639 -5.140 1.00 11.08 ? 113 LEU A CB 1
ATOM 907 C CG . LEU A 1 119 ? 27.970 -17.217 -4.562 1.00 10.92 ? 113 LEU A CG 1
ATOM 908 C CD1 . LEU A 1 119 ? 29.108 -16.340 -5.061 1.00 11.80 ? 113 LEU A CD1 1
ATOM 909 C CD2 . LEU A 1 119 ? 26.615 -16.608 -4.912 1.00 11.52 ? 113 LEU A CD2 1
ATOM 910 N N . ASP A 1 120 ? 29.346 -20.329 -2.717 1.00 11.62 ? 114 ASP A N 1
ATOM 911 C CA . ASP A 1 120 ? 29.858 -20.475 -1.336 1.00 12.48 ? 114 ASP A CA 1
ATOM 912 C C . ASP A 1 120 ? 31.382 -20.522 -1.381 1.00 12.22 ? 114 ASP A C 1
ATOM 913 O O . ASP A 1 120 ? 32.079 -19.802 -0.631 1.00 13.54 ? 114 ASP A O 1
ATOM 914 C CB . ASP A 1 120 ? 29.403 -21.777 -0.667 1.00 13.25 ? 114 ASP A CB 1
ATOM 915 C CG . ASP A 1 120 ? 28.016 -21.709 -0.023 1.00 12.85 ? 114 ASP A CG 1
ATOM 916 O OD1 . ASP A 1 120 ? 27.424 -20.617 0.194 1.00 13.28 ? 114 ASP A OD1 1
ATOM 917 O OD2 . ASP A 1 120 ? 27.512 -22.825 0.312 1.00 13.22 ? 114 ASP A OD2 1
ATOM 918 N N . GLU A 1 121 ? 31.916 -21.385 -2.234 1.00 13.30 ? 115 GLU A N 1
ATOM 919 C CA . GLU A 1 121 ? 33.351 -21.603 -2.256 1.00 14.77 ? 115 GLU A CA 1
ATOM 920 C C . GLU A 1 121 ? 34.106 -20.386 -2.741 1.00 15.39 ? 115 GLU A C 1
ATOM 921 O O . GLU A 1 121 ? 35.161 -20.047 -2.196 1.00 15.73 ? 115 GLU A O 1
ATOM 922 C CB A GLU A 1 121 ? 33.680 -22.823 -3.108 0.65 16.30 ? 115 GLU A CB 1
ATOM 923 C CG A GLU A 1 121 ? 33.645 -24.097 -2.290 0.65 19.59 ? 115 GLU A CG 1
ATOM 924 C CD A GLU A 1 121 ? 34.600 -24.035 -1.104 0.65 20.81 ? 115 GLU A CD 1
ATOM 925 O OE1 A GLU A 1 121 ? 35.809 -23.822 -1.329 0.65 22.07 ? 115 GLU A OE1 1
ATOM 926 O OE2 A GLU A 1 121 ? 34.150 -24.186 0.053 0.65 21.25 ? 115 GLU A OE2 1
ATOM 927 N N . LYS A 1 122 ? 33.597 -19.721 -3.760 1.00 13.70 ? 116 LYS A N 1
ATOM 928 C CA . LYS A 1 122 ? 34.312 -18.587 -4.315 1.00 16.15 ? 116 LYS A CA 1
ATOM 929 C C . LYS A 1 122 ? 34.233 -17.340 -3.442 1.00 15.73 ? 116 LYS A C 1
ATOM 930 O O . LYS A 1 122 ? 35.152 -16.521 -3.462 1.00 17.38 ? 116 LYS A O 1
ATOM 931 C CB . LYS A 1 122 ? 33.878 -18.334 -5.755 1.00 18.51 ? 116 LYS A CB 1
ATOM 932 C CG . LYS A 1 122 ? 34.543 -19.334 -6.701 1.00 21.58 ? 116 LYS A CG 1
ATOM 933 C CD . LYS A 1 122 ? 34.091 -19.178 -8.120 1.00 23.19 ? 116 LYS A CD 1
ATOM 934 C CE . LYS A 1 122 ? 34.640 -20.314 -8.939 1.00 22.48 ? 116 LYS A CE 1
ATOM 935 N NZ . LYS A 1 122 ? 36.135 -20.292 -9.013 1.00 22.95 ? 116 LYS A NZ 1
ATOM 936 N N . PHE A 1 123 ? 33.166 -17.211 -2.663 1.00 13.45 ? 117 PHE A N 1
ATOM 937 C CA . PHE A 1 123 ? 32.956 -16.052 -1.802 1.00 13.12 ? 117 PHE A CA 1
ATOM 938 C C . PHE A 1 123 ? 33.857 -16.116 -0.565 1.00 15.08 ? 117 PHE A C 1
ATOM 939 O O . PHE A 1 123 ? 34.197 -15.078 0.021 1.00 14.02 ? 117 PHE A O 1
ATOM 940 C CB . PHE A 1 123 ? 31.474 -15.988 -1.419 1.00 12.53 ? 117 PHE A CB 1
ATOM 941 C CG . PHE A 1 123 ? 31.088 -14.779 -0.611 1.00 11.50 ? 117 PHE A CG 1
ATOM 942 C CD1 . PHE A 1 123 ? 31.391 -13.497 -1.062 1.00 13.04 ? 117 PHE A CD1 1
ATOM 943 C CD2 . PHE A 1 123 ? 30.373 -14.923 0.572 1.00 13.10 ? 117 PHE A CD2 1
ATOM 944 C CE1 . PHE A 1 123 ? 31.007 -12.372 -0.326 1.00 13.26 ? 117 PHE A CE1 1
ATOM 945 C CE2 . PHE A 1 123 ? 29.991 -13.821 1.314 1.00 12.86 ? 117 PHE A CE2 1
ATOM 946 C CZ . PHE A 1 123 ? 30.309 -12.533 0.869 1.00 13.06 ? 117 PHE A CZ 1
ATOM 947 N N . ARG A 1 124 ? 34.269 -17.327 -0.191 1.00 15.55 ? 118 ARG A N 1
ATOM 948 C CA . ARG A 1 124 ? 34.988 -17.540 1.068 1.00 17.44 ? 118 ARG A CA 1
ATOM 949 C C . ARG A 1 124 ? 36.173 -16.615 1.274 1.00 17.25 ? 118 ARG A C 1
ATOM 950 O O . ARG A 1 124 ? 36.333 -16.049 2.357 1.00 16.64 ? 118 ARG A O 1
ATOM 951 C CB . ARG A 1 124 ? 35.467 -18.985 1.166 1.00 19.44 ? 118 ARG A CB 1
ATOM 952 C CG . ARG A 1 124 ? 34.393 -19.916 1.593 1.00 20.54 ? 118 ARG A CG 1
ATOM 953 C CD . ARG A 1 124 ? 34.900 -21.334 1.664 1.00 21.35 ? 118 ARG A CD 1
ATOM 954 N NE . ARG A 1 124 ? 35.883 -21.505 2.733 1.00 21.52 ? 118 ARG A NE 1
ATOM 955 C CZ . ARG A 1 124 ? 36.318 -22.688 3.151 1.00 22.01 ? 118 ARG A CZ 1
ATOM 956 N NH1 . ARG A 1 124 ? 37.205 -22.755 4.132 1.00 21.37 ? 118 ARG A NH1 1
ATOM 957 N NH2 . ARG A 1 124 ? 35.863 -23.803 2.590 1.00 22.39 ? 118 ARG A NH2 1
ATOM 958 N N . ASN A 1 125 ? 37.014 -16.456 0.260 1.00 16.43 ? 119 ASN A N 1
ATOM 959 C CA . ASN A 1 125 ? 38.218 -15.650 0.442 1.00 18.52 ? 119 ASN A CA 1
ATOM 960 C C . ASN A 1 125 ? 38.128 -14.279 -0.219 1.00 18.36 ? 119 ASN A C 1
ATOM 961 O O . ASN A 1 125 ? 39.146 -13.621 -0.455 1.00 18.73 ? 119 ASN A O 1
ATOM 962 C CB . ASN A 1 125 ? 39.472 -16.403 -0.017 1.00 20.05 ? 119 ASN A CB 1
ATOM 963 C CG . ASN A 1 125 ? 39.505 -16.608 -1.508 1.00 22.41 ? 119 ASN A CG 1
ATOM 964 O OD1 . ASN A 1 125 ? 38.546 -16.295 -2.212 1.00 23.92 ? 119 ASN A OD1 1
ATOM 965 N ND2 . ASN A 1 125 ? 40.610 -17.142 -2.003 1.00 23.84 ? 119 ASN A ND2 1
ATOM 966 N N . LYS A 1 126 ? 36.905 -13.821 -0.482 1.00 16.81 ? 120 LYS A N 1
ATOM 967 C CA . LYS A 1 126 ? 36.729 -12.489 -1.076 1.00 17.43 ? 120 LYS A CA 1
ATOM 968 C C . LYS A 1 126 ? 36.332 -11.446 -0.043 1.00 18.13 ? 120 LYS A C 1
ATOM 969 O O . LYS A 1 126 ? 35.475 -11.695 0.783 1.00 17.68 ? 120 LYS A O 1
ATOM 970 C CB . LYS A 1 126 ? 35.692 -12.513 -2.210 1.00 18.26 ? 120 LYS A CB 1
ATOM 971 C CG . LYS A 1 126 ? 35.936 -13.536 -3.296 1.00 20.04 ? 120 LYS A CG 1
ATOM 972 C CD . LYS A 1 126 ? 37.239 -13.302 -4.014 1.00 21.14 ? 120 LYS A CD 1
ATOM 973 C CE . LYS A 1 126 ? 37.476 -14.330 -5.137 1.00 22.10 ? 120 LYS A CE 1
ATOM 974 N NZ . LYS A 1 126 ? 37.447 -15.782 -4.722 1.00 22.98 ? 120 LYS A NZ 1
HETATM 975 C C1 . PLM B 2 . ? 36.008 -15.343 -11.701 1.00 21.91 ? 300 PLM A C1 1
HETATM 976 O O1 . PLM B 2 . ? 35.292 -15.078 -12.689 1.00 18.79 ? 300 PLM A O1 1
HETATM 977 O O2 . PLM B 2 . ? 36.805 -16.300 -11.753 1.00 22.68 ? 300 PLM A O2 1
HETATM 978 C C2 . PLM B 2 . ? 35.924 -14.504 -10.456 1.00 24.04 ? 300 PLM A C2 1
HETATM 979 C C3 . PLM B 2 . ? 34.529 -14.596 -9.874 1.00 25.21 ? 300 PLM A C3 1
HETATM 980 C C4 . PLM B 2 . ? 34.583 -14.213 -8.404 1.00 26.86 ? 300 PLM A C4 1
HETATM 981 C C5 . PLM B 2 . ? 33.194 -14.228 -7.792 1.00 28.07 ? 300 PLM A C5 1
HETATM 982 C C6 . PLM B 2 . ? 33.242 -13.914 -6.302 1.00 28.89 ? 300 PLM A C6 1
HETATM 983 C C7 . PLM B 2 . ? 33.063 -12.420 -6.087 1.00 29.47 ? 300 PLM A C7 1
HETATM 984 C C8 . PLM B 2 . ? 32.469 -12.116 -4.717 1.00 30.13 ? 300 PLM A C8 1
HETATM 985 C C9 . PLM B 2 . ? 31.766 -10.770 -4.742 1.00 29.80 ? 300 PLM A C9 1
HETATM 986 C CA . PLM B 2 . ? 30.685 -10.684 -3.676 1.00 30.69 ? 300 PLM A CA 1
HETATM 987 C CB . PLM B 2 . ? 29.341 -10.327 -4.287 1.00 31.10 ? 300 PLM A CB 1
HETATM 988 C CC . PLM B 2 . ? 28.554 -11.570 -4.674 1.00 31.78 ? 300 PLM A CC 1
HETATM 989 C CD . PLM B 2 . ? 27.334 -11.734 -3.783 1.00 31.83 ? 300 PLM A CD 1
HETATM 990 C CE . PLM B 2 . ? 27.669 -12.689 -2.652 1.00 31.55 ? 300 PLM A CE 1
HETATM 991 C CF . PLM B 2 . ? 26.436 -13.094 -1.860 1.00 31.50 ? 300 PLM A CF 1
HETATM 992 C CG . PLM B 2 . ? 26.784 -14.246 -0.926 1.00 31.67 ? 300 PLM A CG 1
HETATM 993 O O . HOH C 3 . ? 29.180 -16.913 3.341 1.00 12.74 ? 301 HOH A O 1
HETATM 994 O O . HOH C 3 . ? 15.682 -18.405 4.246 1.00 13.57 ? 302 HOH A O 1
HETATM 995 O O . HOH C 3 . ? 30.711 0.204 -1.803 1.00 16.98 ? 303 HOH A O 1
HETATM 996 O O . HOH C 3 . ? 30.729 -2.790 -7.799 1.00 14.68 ? 304 HOH A O 1
HETATM 997 O O . HOH C 3 . ? 15.746 -20.688 -11.894 1.00 16.95 ? 305 HOH A O 1
HETATM 998 O O . HOH C 3 . ? 20.893 -23.865 -15.208 1.00 14.40 ? 306 HOH A O 1
HETATM 999 O O . HOH C 3 . ? 38.937 -13.478 -10.099 1.00 35.47 ? 307 HOH A O 1
HETATM 1000 O O . HOH C 3 . ? 27.861 -2.601 3.364 1.00 18.37 ? 308 HOH A O 1
HETATM 1001 O O . HOH C 3 . ? 15.479 -26.765 -11.382 0.50 16.59 ? 309 HOH A O 1
HETATM 1002 O O . HOH C 3 . ? 23.874 -17.338 -17.828 1.00 16.02 ? 310 HOH A O 1
HETATM 1003 O O . HOH C 3 . ? 18.148 -30.627 3.321 1.00 17.02 ? 311 HOH A O 1
HETATM 1004 O O . HOH C 3 . ? 30.653 -10.125 8.675 1.00 15.52 ? 312 HOH A O 1
HETATM 1005 O O . HOH C 3 . ? 13.958 -12.163 7.300 1.00 15.13 ? 313 HOH A O 1
HETATM 1006 O O . HOH C 3 . ? 17.362 -21.520 -13.991 1.00 15.67 ? 314 HOH A O 1
HETATM 1007 O O . HOH C 3 . ? 30.642 -9.186 3.849 1.00 17.10 ? 315 HOH A O 1
HETATM 1008 O O . HOH C 3 . ? 12.625 -17.102 -22.985 1.00 16.68 ? 316 HOH A O 1
HETATM 1009 O O . HOH C 3 . ? 32.378 -19.003 -17.135 1.00 14.55 ? 317 HOH A O 1
HETATM 1010 O O . HOH C 3 . ? 11.980 -15.780 -20.544 1.00 16.13 ? 318 HOH A O 1
HETATM 1011 O O . HOH C 3 . ? 17.285 -15.759 9.692 1.00 22.20 ? 319 HOH A O 1
HETATM 1012 O O . HOH C 3 . ? 37.114 -15.196 4.713 1.00 17.67 ? 320 HOH A O 1
HETATM 1013 O O . HOH C 3 . ? 28.896 -3.866 -9.459 1.00 16.57 ? 321 HOH A O 1
HETATM 1014 O O . HOH C 3 . ? 10.088 -23.734 -6.465 1.00 15.89 ? 322 HOH A O 1
HETATM 1015 O O . HOH C 3 . ? 12.202 -6.315 -6.439 1.00 15.40 ? 323 HOH A O 1
HETATM 1016 O O . HOH C 3 . ? 19.684 -19.075 9.408 1.00 21.87 ? 324 HOH A O 1
HETATM 1017 O O . HOH C 3 . ? 25.424 -4.944 -3.798 1.00 19.36 ? 325 HOH A O 1
HETATM 1018 O O . HOH C 3 . ? 23.593 -28.830 2.127 1.00 18.40 ? 326 HOH A O 1
HETATM 1019 O O . HOH C 3 . ? 33.922 -9.079 -16.426 1.00 22.10 ? 327 HOH A O 1
HETATM 1020 O O . HOH C 3 . ? 16.489 -29.784 7.678 1.00 20.30 ? 328 HOH A O 1
HETATM 1021 O O . HOH C 3 . ? 36.595 -9.747 -4.858 1.00 19.91 ? 329 HOH A O 1
HETATM 1022 O O . HOH C 3 . ? 13.446 -16.849 -10.667 1.00 16.41 ? 330 HOH A O 1
HETATM 1023 O O . HOH C 3 . ? 21.879 -20.867 8.930 1.00 19.80 ? 331 HOH A O 1
HETATM 1024 O O . HOH C 3 . ? 26.410 -3.945 -8.167 1.00 14.59 ? 332 HOH A O 1
HETATM 1025 O O . HOH C 3 . ? 25.176 -1.305 2.416 1.00 19.40 ? 333 HOH A O 1
HETATM 1026 O O . HOH C 3 . ? 29.281 -24.802 0.545 1.00 20.43 ? 334 HOH A O 1
HETATM 1027 O O . HOH C 3 . ? 20.617 -28.633 -9.396 1.00 22.74 ? 335 HOH A O 1
HETATM 1028 O O . HOH C 3 . ? 35.953 -20.625 -11.755 1.00 21.52 ? 336 HOH A O 1
HETATM 1029 O O . HOH C 3 . ? 23.962 -20.618 -18.758 1.00 21.74 ? 337 HOH A O 1
HETATM 1030 O O . HOH C 3 . ? 25.253 -10.016 -18.077 1.00 18.19 ? 338 HOH A O 1
HETATM 1031 O O . HOH C 3 . ? 30.349 -18.154 -19.649 1.00 18.26 ? 339 HOH A O 1
HETATM 1032 O O . HOH C 3 . ? 16.782 -26.124 -0.246 1.00 19.71 ? 340 HOH A O 1
HETATM 1033 O O . HOH C 3 . ? 16.594 -7.110 -15.745 1.00 26.04 ? 341 HOH A O 1
HETATM 1034 O O . HOH C 3 . ? 14.911 -14.551 -25.222 1.00 23.13 ? 342 HOH A O 1
HETATM 1035 O O . HOH C 3 . ? 15.044 -26.375 -3.149 1.00 22.84 ? 343 HOH A O 1
HETATM 1036 O O . HOH C 3 . ? 12.248 -21.955 1.724 1.00 21.86 ? 344 HOH A O 1
HETATM 1037 O O . HOH C 3 . ? 20.546 -12.848 -21.978 1.00 21.27 ? 345 HOH A O 1
HETATM 1038 O O . HOH C 3 . ? 7.086 -18.322 2.368 1.00 22.40 ? 346 HOH A O 1
HETATM 1039 O O . HOH C 3 . ? 18.661 -15.919 -25.283 1.00 22.54 ? 347 HOH A O 1
HETATM 1040 O O . HOH C 3 . ? 14.705 -15.241 8.929 1.00 24.16 ? 348 HOH A O 1
HETATM 1041 O O . HOH C 3 . ? 13.205 -20.580 -5.628 1.00 21.13 ? 349 HOH A O 1
HETATM 1042 O O . HOH C 3 . ? 38.903 -17.173 -18.180 1.00 24.60 ? 350 HOH A O 1
HETATM 1043 O O . HOH C 3 . ? 36.411 -2.368 -10.850 1.00 28.43 ? 351 HOH A O 1
HETATM 1044 O O . HOH C 3 . ? 6.219 -9.044 4.276 1.00 28.10 ? 352 HOH A O 1
HETATM 1045 O O . HOH C 3 . ? 23.505 -23.172 -16.088 1.00 18.30 ? 353 HOH A O 1
HETATM 1046 O O . HOH C 3 . ? 31.311 -19.599 1.940 1.00 22.48 ? 354 HOH A O 1
HETATM 1047 O O . HOH C 3 . ? 30.824 -4.260 -12.384 1.00 26.15 ? 355 HOH A O 1
HETATM 1048 O O . HOH C 3 . ? 24.938 -22.122 9.873 1.00 27.08 ? 356 HOH A O 1
HETATM 1049 O O . HOH C 3 . ? 38.029 -13.492 -19.383 1.00 21.62 ? 357 HOH A O 1
HETATM 1050 O O . HOH C 3 . ? 37.775 -12.867 -12.560 1.00 24.85 ? 358 HOH A O 1
HETATM 1051 O O . HOH C 3 . ? 5.631 -16.879 -0.958 1.00 23.74 ? 359 HOH A O 1
HETATM 1052 O O . HOH C 3 . ? 34.801 -16.076 -19.483 1.00 26.13 ? 360 HOH A O 1
HETATM 1053 O O . HOH C 3 . ? 12.225 -6.713 -18.421 1.00 28.66 ? 361 HOH A O 1
HETATM 1054 O O . HOH C 3 . ? 5.639 -14.235 -2.154 1.00 24.90 ? 362 HOH A O 1
HETATM 1055 O O . HOH C 3 . ? 7.621 -7.009 5.152 1.00 30.95 ? 363 HOH A O 1
HETATM 1056 O O . HOH C 3 . ? 42.613 -2.102 -4.763 1.00 24.97 ? 364 HOH A O 1
HETATM 1057 O O . HOH C 3 . ? 15.242 -11.784 -24.376 1.00 29.93 ? 365 HOH A O 1
HETATM 1058 O O . HOH C 3 . ? 26.718 -4.956 7.793 1.00 30.64 ? 366 HOH A O 1
HETATM 1059 O O . HOH C 3 . ? 40.191 -19.648 -12.687 1.00 29.38 ? 367 HOH A O 1
HETATM 1060 O O . HOH C 3 . ? 33.412 -3.847 7.101 1.00 20.22 ? 368 HOH A O 1
HETATM 1061 O O . HOH C 3 . ? 39.189 -4.962 -10.335 1.00 34.49 ? 369 HOH A O 1
HETATM 1062 O O . HOH C 3 . ? 20.527 -17.922 -25.161 1.00 23.14 ? 370 HOH A O 1
HETATM 1063 O O . HOH C 3 . ? 20.702 -26.678 -14.534 1.00 26.46 ? 371 HOH A O 1
HETATM 1064 O O . HOH C 3 . ? 29.484 -26.819 2.534 1.00 24.42 ? 372 HOH A O 1
HETATM 1065 O O . HOH C 3 . ? 28.842 -18.839 1.626 1.00 24.32 ? 373 HOH A O 1
HETATM 1066 O O . HOH C 3 . ? 25.822 -29.511 3.745 1.00 28.48 ? 374 HOH A O 1
HETATM 1067 O O . HOH C 3 . ? 10.331 -14.757 5.578 1.00 27.70 ? 375 HOH A O 1
HETATM 1068 O O . HOH C 3 . ? 14.483 -8.998 7.804 1.00 27.74 ? 376 HOH A O 1
HETATM 1069 O O . HOH C 3 . ? 13.476 -23.118 9.868 1.00 29.79 ? 377 HOH A O 1
HETATM 1070 O O . HOH C 3 . ? 10.023 -22.077 -8.517 1.00 25.25 ? 378 HOH A O 1
HETATM 1071 O O . HOH C 3 . ? 20.871 -10.198 11.469 1.00 29.87 ? 379 HOH A O 1
HETATM 1072 O O . HOH C 3 . ? 23.656 0.084 -1.294 1.00 27.98 ? 380 HOH A O 1
HETATM 1073 O O . HOH C 3 . ? 14.732 -18.867 7.744 1.00 27.52 ? 381 HOH A O 1
HETATM 1074 O O . HOH C 3 . ? 24.053 -2.468 -6.984 1.00 28.45 ? 382 HOH A O 1
HETATM 1075 O O . HOH C 3 . ? 20.375 -15.276 -23.410 1.00 27.46 ? 383 HOH A O 1
HETATM 1076 O O . HOH C 3 . ? 37.173 -1.024 -4.329 1.00 27.83 ? 384 HOH A O 1
HETATM 1077 O O . HOH C 3 . ? 32.227 -3.143 -10.052 1.00 28.70 ? 385 HOH A O 1
HETATM 1078 O O . HOH C 3 . ? 12.632 -20.681 -8.377 1.00 25.96 ? 386 HOH A O 1
HETATM 1079 O O . HOH C 3 . ? 14.964 -25.230 9.666 1.00 26.01 ? 387 HOH A O 1
HETATM 1080 O O . HOH C 3 . ? 39.613 -11.489 -8.498 1.00 29.52 ? 388 HOH A O 1
HETATM 1081 O O . HOH C 3 . ? 18.427 -3.627 -3.968 1.00 29.55 ? 389 HOH A O 1
HETATM 1082 O O . HOH C 3 . ? 18.354 -1.982 6.662 1.00 28.69 ? 390 HOH A O 1
HETATM 1083 O O . HOH C 3 . ? 20.041 -13.560 12.876 1.00 29.82 ? 391 HOH A O 1
HETATM 1084 O O . HOH C 3 . ? 10.448 -17.048 -18.248 1.00 25.76 ? 392 HOH A O 1
HETATM 1085 O O . HOH C 3 . ? 29.385 -2.582 5.571 1.00 31.68 ? 393 HOH A O 1
HETATM 1086 O O . HOH C 3 . ? 19.483 -31.953 6.617 1.00 28.03 ? 394 HOH A O 1
HETATM 1087 O O . HOH C 3 . ? 10.522 -19.711 -12.518 1.00 28.45 ? 395 HOH A O 1
HETATM 1088 O O . HOH C 3 . ? 18.642 -5.820 -14.629 1.00 31.19 ? 396 HOH A O 1
HETATM 1089 O O . HOH C 3 . ? 37.556 -17.938 -9.770 1.00 32.73 ? 397 HOH A O 1
HETATM 1090 O O . HOH C 3 . ? 11.103 -7.002 -15.893 1.00 33.01 ? 398 HOH A O 1
HETATM 1091 O O . HOH C 3 . ? 23.510 -7.568 12.309 1.00 34.39 ? 399 HOH A O 1
HETATM 1092 O O . HOH C 3 . ? 16.849 -27.661 -13.295 1.00 29.32 ? 400 HOH A O 1
HETATM 1093 O O . HOH C 3 . ? 23.121 -3.626 -4.823 1.00 28.51 ? 401 HOH A O 1
HETATM 1094 O O . HOH C 3 . ? 18.489 -29.065 -3.468 1.00 38.13 ? 402 HOH A O 1
HETATM 1095 O O . HOH C 3 . ? 35.711 -9.146 -18.329 1.00 37.40 ? 403 HOH A O 1
HETATM 1096 O O . HOH C 3 . ? 17.264 -4.131 -13.204 1.00 32.79 ? 404 HOH A O 1
HETATM 1097 O O . HOH C 3 . ? 8.007 -5.062 -1.843 1.00 31.26 ? 405 HOH A O 1
HETATM 1098 O O . HOH C 3 . ? 17.456 -28.831 10.338 1.00 34.01 ? 406 HOH A O 1
HETATM 1099 O O . HOH C 3 . ? 16.773 -9.072 10.226 1.00 37.24 ? 407 HOH A O 1
HETATM 1100 O O . HOH C 3 . ? 19.896 -2.153 -7.700 1.00 29.03 ? 408 HOH A O 1
HETATM 1101 O O . HOH C 3 . ? 24.038 -28.798 -0.492 1.00 30.75 ? 409 HOH A O 1
HETATM 1102 O O . HOH C 3 . ? 23.357 -26.654 8.985 1.00 34.44 ? 410 HOH A O 1
HETATM 1103 O O . HOH C 3 . ? 9.847 -9.192 -16.693 1.00 30.18 ? 411 HOH A O 1
HETATM 1104 O O . HOH C 3 . ? 31.841 -24.032 1.288 1.00 31.09 ? 412 HOH A O 1
HETATM 1105 O O . HOH C 3 . ? 8.610 -4.576 -8.927 1.00 33.47 ? 413 HOH A O 1
HETATM 1106 O O . HOH C 3 . ? 33.897 -1.585 -11.195 1.00 31.35 ? 414 HOH A O 1
HETATM 1107 O O . HOH C 3 . ? 23.615 -2.675 -10.800 1.00 35.73 ? 415 HOH A O 1
HETATM 1108 O O . HOH C 3 . ? 38.904 -10.726 -6.045 1.00 29.50 ? 416 HOH A O 1
HETATM 1109 O O . HOH C 3 . ? 20.479 -4.088 -5.491 1.00 32.70 ? 417 HOH A O 1
HETATM 1110 O O . HOH C 3 . ? 24.987 -18.183 11.926 1.00 29.82 ? 418 HOH A O 1
HETATM 1111 O O . HOH C 3 . ? 22.321 -19.025 11.086 1.00 37.36 ? 419 HOH A O 1
HETATM 1112 O O . HOH C 3 . ? 28.242 -1.959 -11.392 1.00 30.58 ? 420 HOH A O 1
HETATM 1113 O O . HOH C 3 . ? 38.132 -18.812 -4.613 1.00 33.63 ? 421 HOH A O 1
HETATM 1114 O O . HOH C 3 . ? 34.777 -26.913 2.633 1.00 39.69 ? 422 HOH A O 1
HETATM 1115 O O . HOH C 3 . ? 15.098 -6.594 -18.230 1.00 32.79 ? 423 HOH A O 1
HETATM 1116 O O . HOH C 3 . ? 11.123 -12.421 8.010 1.00 38.51 ? 424 HOH A O 1
HETATM 1117 O O . HOH C 3 . ? 13.872 -0.545 -3.254 1.00 38.03 ? 425 HOH A O 1
HETATM 1118 O O . HOH C 3 . ? 17.818 -27.559 -8.204 1.00 35.51 ? 426 HOH A O 1
HETATM 1119 O O . HOH C 3 . ? 32.144 -5.264 -14.909 1.00 36.30 ? 427 HOH A O 1
HETATM 1120 O O . HOH C 3 . ? 10.182 -4.548 2.524 1.00 42.10 ? 428 HOH A O 1
HETATM 1121 O O . HOH C 3 . ? 5.398 -11.148 -3.541 1.00 31.79 ? 429 HOH A O 1
HETATM 1122 O O . HOH C 3 . ? 19.429 -28.005 -12.761 1.00 31.09 ? 430 HOH A O 1
HETATM 1123 O O . HOH C 3 . ? 22.009 -0.173 0.863 1.00 28.18 ? 431 HOH A O 1
HETATM 1124 O O . HOH C 3 . ? 5.867 -8.552 -10.095 1.00 31.58 ? 432 HOH A O 1
HETATM 1125 O O . HOH C 3 . ? 37.997 -16.783 -7.325 1.00 37.53 ? 433 HOH A O 1
HETATM 1126 O O . HOH C 3 . ? 25.822 -27.699 5.612 1.00 30.67 ? 434 HOH A O 1
HETATM 1127 O O . HOH C 3 . ? 10.797 -18.579 5.465 1.00 31.35 ? 435 HOH A O 1
HETATM 1128 O O . HOH C 3 . ? 5.659 -6.426 -1.221 1.00 39.41 ? 436 HOH A O 1
HETATM 1129 O O . HOH C 3 . ? 25.227 -29.800 -6.694 1.00 44.13 ? 437 HOH A O 1
HETATM 1130 O O . HOH C 3 . ? 12.836 -20.297 6.251 1.00 31.32 ? 438 HOH A O 1
HETATM 1131 O O . HOH C 3 . ? 17.470 -24.960 11.546 1.00 38.31 ? 439 HOH A O 1
HETATM 1132 O O . HOH C 3 . ? 23.846 -9.509 -20.548 1.00 37.03 ? 440 HOH A O 1
HETATM 1133 O O . HOH C 3 . ? 27.009 -29.204 -0.316 1.00 32.74 ? 441 HOH A O 1
HETATM 1134 O O . HOH C 3 . ? 40.458 -5.837 -13.173 1.00 39.66 ? 442 HOH A O 1
HETATM 1135 O O . HOH C 3 . ? 25.306 3.631 1.293 1.00 35.98 ? 443 HOH A O 1
HETATM 1136 O O . HOH C 3 . ? 42.603 -17.937 0.423 1.00 35.77 ? 444 HOH A O 1
HETATM 1137 O O . HOH C 3 . ? 22.903 -0.915 -3.817 1.00 39.05 ? 445 HOH A O 1
HETATM 1138 O O . HOH C 3 . ? 16.042 -0.616 -2.592 1.00 43.37 ? 446 HOH A O 1
HETATM 1139 O O . HOH C 3 . ? 21.496 -9.096 -20.340 1.00 37.69 ? 447 HOH A O 1
HETATM 1140 O O . HOH C 3 . ? 41.141 -8.877 -5.137 1.00 36.31 ? 448 HOH A O 1
HETATM 1141 O O . HOH C 3 . ? 17.602 -27.591 -5.817 1.00 33.58 ? 449 HOH A O 1
HETATM 1142 O O . HOH C 3 . ? 20.319 -28.996 10.192 1.00 47.32 ? 450 HOH A O 1
HETATM 1143 O O . HOH C 3 . ? 19.293 -3.483 12.003 1.00 47.49 ? 451 HOH A O 1
HETATM 1144 O O . HOH C 3 . ? 20.274 -0.861 -3.439 1.00 40.67 ? 452 HOH A O 1
HETATM 1145 O O . HOH C 3 . ? 24.081 -16.248 13.294 1.00 35.09 ? 453 HOH A O 1
HETATM 1146 O O . HOH C 3 . ? 23.291 -10.423 11.819 1.00 30.18 ? 454 HOH A O 1
HETATM 1147 O O . HOH C 3 . ? 10.996 -4.041 -5.573 1.00 39.27 ? 455 HOH A O 1
HETATM 1148 O O . HOH C 3 . ? 41.223 -13.278 -1.927 1.00 39.19 ? 456 HOH A O 1
HETATM 1149 O O . HOH C 3 . ? 26.145 -1.037 -8.675 1.00 39.53 ? 457 HOH A O 1
HETATM 1150 O O . HOH C 3 . ? 12.281 -2.996 -9.379 1.00 40.32 ? 458 HOH A O 1
HETATM 1151 O O . HOH C 3 . ? 4.513 -10.812 -6.002 1.00 35.81 ? 459 HOH A O 1
HETATM 1152 O O . HOH C 3 . ? 17.354 -26.954 -2.483 1.00 45.21 ? 460 HOH A O 1
HETATM 1153 O O . HOH C 3 . ? 5.066 -7.944 2.086 1.00 35.83 ? 461 HOH A O 1
HETATM 1154 O O . HOH C 3 . ? 40.898 -2.531 -7.872 1.00 42.29 ? 462 HOH A O 1
HETATM 1155 O O . HOH C 3 . ? 33.262 -1.306 -13.925 1.00 41.64 ? 463 HOH A O 1
HETATM 1156 O O . HOH C 3 . ? 13.324 -6.406 -14.097 1.00 29.11 ? 464 HOH A O 1
HETATM 1157 O O . HOH C 3 . ? 18.579 -0.902 -1.513 1.00 43.50 ? 465 HOH A O 1
HETATM 1158 O O . HOH C 3 . ? 32.872 -25.599 -5.231 1.00 39.96 ? 466 HOH A O 1
HETATM 1159 O O . HOH C 3 . ? 37.391 -18.816 -1.900 1.00 30.87 ? 467 HOH A O 1
HETATM 1160 O O . HOH C 3 . ? 29.338 -28.916 -2.091 1.00 38.74 ? 468 HOH A 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 GLY 1 -5 ? ? ? A . n
A 1 2 SER 2 -4 ? ? ? A . n
A 1 3 PRO 3 -3 ? ? ? A . n
A 1 4 GLY 4 -2 ? ? ? A . n
A 1 5 ILE 5 -1 ? ? ? A . n
A 1 6 ARG 6 0 ? ? ? A . n
A 1 7 MET 7 1 ? ? ? A . n
A 1 8 ALA 8 2 2 ALA ALA A . n
A 1 9 LEU 9 3 3 LEU LEU A . n
A 1 10 LYS 10 4 4 LYS LYS A . n
A 1 11 THR 11 5 5 THR THR A . n
A 1 12 ASP 12 6 6 ASP ASP A . n
A 1 13 GLN 13 7 7 GLN GLN A . n
A 1 14 ILE 14 8 8 ILE ILE A . n
A 1 15 LEU 15 9 9 LEU LEU A . n
A 1 16 ASP 16 10 10 ASP ASP A . n
A 1 17 LYS 17 11 11 LYS LYS A . n
A 1 18 LEU 18 12 12 LEU LEU A . n
A 1 19 ASN 19 13 13 ASN ASN A . n
A 1 20 GLU 20 14 14 GLU GLU A . n
A 1 21 LYS 21 15 15 LYS LYS A . n
A 1 22 LEU 22 16 16 LEU LEU A . n
A 1 23 ALA 23 17 17 ALA ALA A . n
A 1 24 GLN 24 18 18 GLN GLN A . n
A 1 25 VAL 25 19 19 VAL VAL A . n
A 1 26 ASP 26 20 20 ASP ASP A . n
A 1 27 ARG 27 21 21 ARG ARG A . n
A 1 28 SER 28 22 22 SER SER A . n
A 1 29 LYS 29 23 23 LYS LYS A . n
A 1 30 ARG 30 24 24 ARG ARG A . n
A 1 31 SER 31 25 25 SER SER A . n
A 1 32 PHE 32 26 26 PHE PHE A . n
A 1 33 THR 33 27 27 THR THR A . n
A 1 34 VAL 34 28 28 VAL VAL A . n
A 1 35 ILE 35 29 29 ILE ILE A . n
A 1 36 LEU 36 30 30 LEU LEU A . n
A 1 37 PHE 37 31 31 PHE PHE A . n
A 1 38 VAL 38 32 32 VAL VAL A . n
A 1 39 HIS 39 33 33 HIS HIS A . n
A 1 40 LEU 40 34 34 LEU LEU A . n
A 1 41 ARG 41 35 35 ARG ARG A . n
A 1 42 GLN 42 36 36 GLN GLN A . n
A 1 43 GLU 43 37 37 GLU GLU A . n
A 1 44 GLY 44 38 38 GLY GLY A . n
A 1 45 LYS 45 39 39 LYS LYS A . n
A 1 46 VAL 46 40 40 VAL VAL A . n
A 1 47 VAL 47 41 41 VAL VAL A . n
A 1 48 ARG 48 42 42 ARG ARG A . n
A 1 49 SER 49 43 43 SER SER A . n
A 1 50 VAL 50 44 44 VAL VAL A . n
A 1 51 VAL 51 45 45 VAL VAL A . n
A 1 52 LEU 52 46 46 LEU LEU A . n
A 1 53 ASP 53 47 47 ASP ASP A . n
A 1 54 PHE 54 48 48 PHE PHE A . n
A 1 55 ASN 55 49 49 ASN ASN A . n
A 1 56 ASP 56 50 50 ASP ASP A . n
A 1 57 LEU 57 51 51 LEU LEU A . n
A 1 58 LYS 58 52 52 LYS LYS A . n
A 1 59 ILE 59 53 53 ILE ILE A . n
A 1 60 SER 60 54 54 SER SER A . n
A 1 61 GLU 61 55 55 GLU GLU A . n
A 1 62 ILE 62 56 56 ILE ILE A . n
A 1 63 GLU 63 57 57 GLU GLU A . n
A 1 64 LEU 64 58 58 LEU LEU A . n
A 1 65 ALA 65 59 59 ALA ALA A . n
A 1 66 VAL 66 60 60 VAL VAL A . n
A 1 67 THR 67 61 61 THR THR A . n
A 1 68 SER 68 62 62 SER SER A . n
A 1 69 THR 69 63 63 THR THR A . n
A 1 70 ALA 70 64 64 ALA ALA A . n
A 1 71 ASP 71 65 65 ASP ASP A . n
A 1 72 TYR 72 66 66 TYR TYR A . n
A 1 73 PRO 73 67 67 PRO PRO A . n
A 1 74 ALA 74 68 68 ALA ALA A . n
A 1 75 GLU 75 69 69 GLU GLU A . n
A 1 76 ARG 76 70 70 ARG ARG A . n
A 1 77 ILE 77 71 71 ILE ILE A . n
A 1 78 ASP 78 72 72 ASP ASP A . n
A 1 79 ALA 79 73 73 ALA ALA A . n
A 1 80 SER 80 74 74 SER SER A . n
A 1 81 ILE 81 75 75 ILE ILE A . n
A 1 82 THR 82 76 76 THR THR A . n
A 1 83 ILE 83 77 77 ILE ILE A . n
A 1 84 ASP 84 78 78 ASP ASP A . n
A 1 85 ASP 85 79 79 ASP ASP A . n
A 1 86 ASN 86 80 80 ASN ASN A . n
A 1 87 ASP 87 81 81 ASP ASP A . n
A 1 88 PHE 88 82 82 PHE PHE A . n
A 1 89 TYR 89 83 83 TYR TYR A . n
A 1 90 LEU 90 84 84 LEU LEU A . n
A 1 91 VAL 91 85 85 VAL VAL A . n
A 1 92 ALA 92 86 86 ALA ALA A . n
A 1 93 THR 93 87 87 THR THR A . n
A 1 94 LYS 94 88 88 LYS LYS A . n
A 1 95 GLU 95 89 89 GLU GLU A . n
A 1 96 THR 96 90 90 THR THR A . n
A 1 97 SER 97 91 91 SER SER A . n
A 1 98 PHE 98 92 92 PHE PHE A . n
A 1 99 ALA 99 93 93 ALA ALA A . n
A 1 100 ALA 100 94 94 ALA ALA A . n
A 1 101 LEU 101 95 95 LEU LEU A . n
A 1 102 ILE 102 96 96 ILE ILE A . n
A 1 103 GLU 103 97 97 GLU GLU A . n
A 1 104 GLN 104 98 98 GLN GLN A . n
A 1 105 GLY 105 99 99 GLY GLY A . n
A 1 106 LYS 106 100 100 LYS LYS A . n
A 1 107 VAL 107 101 101 VAL VAL A . n
A 1 108 ASP 108 102 102 ASP ASP A . n
A 1 109 ILE 109 103 103 ILE ILE A . n
A 1 110 THR 110 104 104 THR THR A . n
A 1 111 GLY 111 105 105 GLY GLY A . n
A 1 112 ASN 112 106 106 ASN ASN A . n
A 1 113 LYS 113 107 107 LYS LYS A . n
A 1 114 GLN 114 108 108 GLN GLN A . n
A 1 115 ALA 115 109 109 ALA ALA A . n
A 1 116 PHE 116 110 110 PHE PHE A . n
A 1 117 LEU 117 111 111 LEU LEU A . n
A 1 118 THR 118 112 112 THR THR A . n
A 1 119 LEU 119 113 113 LEU LEU A . n
A 1 120 ASP 120 114 114 ASP ASP A . n
A 1 121 GLU 121 115 115 GLU GLU A . n
A 1 122 LYS 122 116 116 LYS LYS A . n
A 1 123 PHE 123 117 117 PHE PHE A . n
A 1 124 ARG 124 118 118 ARG ARG A . n
A 1 125 ASN 125 119 119 ASN ASN A . n
A 1 126 LYS 126 120 120 LYS LYS A . n
#
_pdbx_struct_assembly.id 1
_pdbx_struct_assembly.details author_and_software_defined_assembly
_pdbx_struct_assembly.method_details PISA
_pdbx_struct_assembly.oligomeric_details monomeric
_pdbx_struct_assembly.oligomeric_count 1
#
_pdbx_struct_assembly_gen.assembly_id 1
_pdbx_struct_assembly_gen.oper_expression 1
_pdbx_struct_assembly_gen.asym_id_list A,B,C
#
_pdbx_struct_oper_list.id 1
_pdbx_struct_oper_list.type 'identity operation'
_pdbx_struct_oper_list.name 1_555
_pdbx_struct_oper_list.symmetry_operation x,y,z
_pdbx_struct_oper_list.matrix[1][1] 1.0000000000
_pdbx_struct_oper_list.matrix[1][2] 0.0000000000
_pdbx_struct_oper_list.matrix[1][3] 0.0000000000
_pdbx_struct_oper_list.vector[1] 0.0000000000
_pdbx_struct_oper_list.matrix[2][1] 0.0000000000
_pdbx_struct_oper_list.matrix[2][2] 1.0000000000
_pdbx_struct_oper_list.matrix[2][3] 0.0000000000
_pdbx_struct_oper_list.vector[2] 0.0000000000
_pdbx_struct_oper_list.matrix[3][1] 0.0000000000
_pdbx_struct_oper_list.matrix[3][2] 0.0000000000
_pdbx_struct_oper_list.matrix[3][3] 1.0000000000
_pdbx_struct_oper_list.vector[3] 0.0000000000
#
_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 HOH
_pdbx_struct_special_symmetry.auth_seq_id 309
_pdbx_struct_special_symmetry.PDB_ins_code ?
_pdbx_struct_special_symmetry.label_asym_id C
_pdbx_struct_special_symmetry.label_comp_id HOH
_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 2008-12-09
2 'Structure model' 1 1 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 ?
#
_pdbx_audit_revision_group.ordinal 1
_pdbx_audit_revision_group.revision_ordinal 2
_pdbx_audit_revision_group.data_content_type 'Structure model'
_pdbx_audit_revision_group.group 'Version format compliance'
#
_pdbx_phasing_MR.entry_id 3BKR
_pdbx_phasing_MR.method_rotation ?
_pdbx_phasing_MR.method_translation ?
_pdbx_phasing_MR.model_details 'Phaser MODE: MR_AUTO'
_pdbx_phasing_MR.R_factor ?
_pdbx_phasing_MR.R_rigid_body ?
_pdbx_phasing_MR.correlation_coeff_Fo_to_Fc ?
_pdbx_phasing_MR.correlation_coeff_Io_to_Ic ?
_pdbx_phasing_MR.d_res_high_rotation 2.500
_pdbx_phasing_MR.d_res_low_rotation 23.070
_pdbx_phasing_MR.d_res_high_translation 2.500
_pdbx_phasing_MR.d_res_low_translation 23.070
_pdbx_phasing_MR.packing ?
_pdbx_phasing_MR.reflns_percent_rotation ?
_pdbx_phasing_MR.reflns_percent_translation ?
_pdbx_phasing_MR.sigma_F_rotation ?
_pdbx_phasing_MR.sigma_F_translation ?
_pdbx_phasing_MR.sigma_I_rotation ?
_pdbx_phasing_MR.sigma_I_translation ?
#
_phasing.method MR
#
loop_
_software.name
_software.version
_software.date
_software.type
_software.contact_author
_software.contact_author_email
_software.classification
_software.location
_software.language
_software.citation_id
_software.pdbx_ordinal
PHASER . ? other 'R. J. Read' cimr-phaser@lists.cam.ac.uk phasing
http://www-structmed.cimr.cam.ac.uk/phaser/ ? ? 1
REFMAC 5.2.0019 ? program 'Murshudov, G.N.' ccp4@dl.ac.uk refinement
http://www.ccp4.ac.uk/main.html Fortran_77 ? 2
PDB_EXTRACT 3.004 'September 10, 2007' package PDB sw-help@rcsb.rutgers.edu 'data extraction'
http://pdb.rutgers.edu/software/ C++ ? 3
HKL-2000 . ? ? ? ? 'data collection' ? ? ? 4
DENZO . ? ? ? ? 'data reduction' ? ? ? 5
HKL-2000 . ? ? ? ? 'data scaling' ? ? ? 6
#
loop_
_pdbx_unobs_or_zero_occ_residues.id
_pdbx_unobs_or_zero_occ_residues.PDB_model_num
_pdbx_unobs_or_zero_occ_residues.polymer_flag
_pdbx_unobs_or_zero_occ_residues.occupancy_flag
_pdbx_unobs_or_zero_occ_residues.auth_asym_id
_pdbx_unobs_or_zero_occ_residues.auth_comp_id
_pdbx_unobs_or_zero_occ_residues.auth_seq_id
_pdbx_unobs_or_zero_occ_residues.PDB_ins_code
_pdbx_unobs_or_zero_occ_residues.label_asym_id
_pdbx_unobs_or_zero_occ_residues.label_comp_id
_pdbx_unobs_or_zero_occ_residues.label_seq_id
1 1 Y 1 A GLY -5 ? A GLY 1
2 1 Y 1 A SER -4 ? A SER 2
3 1 Y 1 A PRO -3 ? A PRO 3
4 1 Y 1 A GLY -2 ? A GLY 4
5 1 Y 1 A ILE -1 ? A ILE 5
6 1 Y 1 A ARG 0 ? A ARG 6
7 1 Y 1 A MET 1 ? A MET 7
#
loop_
_pdbx_entity_nonpoly.entity_id
_pdbx_entity_nonpoly.name
_pdbx_entity_nonpoly.comp_id
2 'PALMITIC ACID' PLM
3 water HOH
#
loop_
_pdbx_nonpoly_scheme.asym_id
_pdbx_nonpoly_scheme.entity_id
_pdbx_nonpoly_scheme.mon_id
_pdbx_nonpoly_scheme.ndb_seq_num
_pdbx_nonpoly_scheme.pdb_seq_num
_pdbx_nonpoly_scheme.auth_seq_num
_pdbx_nonpoly_scheme.pdb_mon_id
_pdbx_nonpoly_scheme.auth_mon_id
_pdbx_nonpoly_scheme.pdb_strand_id
_pdbx_nonpoly_scheme.pdb_ins_code
B 2 PLM 1 300 300 PLM PLM A .
C 3 HOH 1 301 1 HOH HOH A .
C 3 HOH 2 302 2 HOH HOH A .
C 3 HOH 3 303 3 HOH HOH A .
C 3 HOH 4 304 4 HOH HOH A .
C 3 HOH 5 305 5 HOH HOH A .
C 3 HOH 6 306 6 HOH HOH A .
C 3 HOH 7 307 7 HOH HOH A .
C 3 HOH 8 308 8 HOH HOH A .
C 3 HOH 9 309 9 HOH HOH A .
C 3 HOH 10 310 10 HOH HOH A .
C 3 HOH 11 311 11 HOH HOH A .
C 3 HOH 12 312 12 HOH HOH A .
C 3 HOH 13 313 13 HOH HOH A .
C 3 HOH 14 314 14 HOH HOH A .
C 3 HOH 15 315 15 HOH HOH A .
C 3 HOH 16 316 16 HOH HOH A .
C 3 HOH 17 317 17 HOH HOH A .
C 3 HOH 18 318 18 HOH HOH A .
C 3 HOH 19 319 19 HOH HOH A .
C 3 HOH 20 320 20 HOH HOH A .
C 3 HOH 21 321 21 HOH HOH A .
C 3 HOH 22 322 22 HOH HOH A .
C 3 HOH 23 323 23 HOH HOH A .
C 3 HOH 24 324 24 HOH HOH A .
C 3 HOH 25 325 25 HOH HOH A .
C 3 HOH 26 326 26 HOH HOH A .
C 3 HOH 27 327 27 HOH HOH A .
C 3 HOH 28 328 28 HOH HOH A .
C 3 HOH 29 329 29 HOH HOH A .
C 3 HOH 30 330 30 HOH HOH A .
C 3 HOH 31 331 31 HOH HOH A .
C 3 HOH 32 332 32 HOH HOH A .
C 3 HOH 33 333 33 HOH HOH A .
C 3 HOH 34 334 34 HOH HOH A .
C 3 HOH 35 335 35 HOH HOH A .
C 3 HOH 36 336 36 HOH HOH A .
C 3 HOH 37 337 37 HOH HOH A .
C 3 HOH 38 338 38 HOH HOH A .
C 3 HOH 39 339 39 HOH HOH A .
C 3 HOH 40 340 40 HOH HOH A .
C 3 HOH 41 341 41 HOH HOH A .
C 3 HOH 42 342 42 HOH HOH A .
C 3 HOH 43 343 43 HOH HOH A .
C 3 HOH 44 344 44 HOH HOH A .
C 3 HOH 45 345 45 HOH HOH A .
C 3 HOH 46 346 46 HOH HOH A .
C 3 HOH 47 347 47 HOH HOH A .
C 3 HOH 48 348 48 HOH HOH A .
C 3 HOH 49 349 49 HOH HOH A .
C 3 HOH 50 350 50 HOH HOH A .
C 3 HOH 51 351 51 HOH HOH A .
C 3 HOH 52 352 52 HOH HOH A .
C 3 HOH 53 353 53 HOH HOH A .
C 3 HOH 54 354 54 HOH HOH A .
C 3 HOH 55 355 55 HOH HOH A .
C 3 HOH 56 356 56 HOH HOH A .
C 3 HOH 57 357 57 HOH HOH A .
C 3 HOH 58 358 58 HOH HOH A .
C 3 HOH 59 359 59 HOH HOH A .
C 3 HOH 60 360 60 HOH HOH A .
C 3 HOH 61 361 61 HOH HOH A .
C 3 HOH 62 362 62 HOH HOH A .
C 3 HOH 63 363 63 HOH HOH A .
C 3 HOH 64 364 64 HOH HOH A .
C 3 HOH 65 365 65 HOH HOH A .
C 3 HOH 66 366 66 HOH HOH A .
C 3 HOH 67 367 67 HOH HOH A .
C 3 HOH 68 368 68 HOH HOH A .
C 3 HOH 69 369 69 HOH HOH A .
C 3 HOH 70 370 70 HOH HOH A .
C 3 HOH 71 371 71 HOH HOH A .
C 3 HOH 72 372 72 HOH HOH A .
C 3 HOH 73 373 73 HOH HOH A .
C 3 HOH 74 374 74 HOH HOH A .
C 3 HOH 75 375 75 HOH HOH A .
C 3 HOH 76 376 76 HOH HOH A .
C 3 HOH 77 377 77 HOH HOH A .
C 3 HOH 78 378 78 HOH HOH A .
C 3 HOH 79 379 79 HOH HOH A .
C 3 HOH 80 380 80 HOH HOH A .
C 3 HOH 81 381 81 HOH HOH A .
C 3 HOH 82 382 82 HOH HOH A .
C 3 HOH 83 383 83 HOH HOH A .
C 3 HOH 84 384 84 HOH HOH A .
C 3 HOH 85 385 85 HOH HOH A .
C 3 HOH 86 386 86 HOH HOH A .
C 3 HOH 87 387 87 HOH HOH A .
C 3 HOH 88 388 88 HOH HOH A .
C 3 HOH 89 389 89 HOH HOH A .
C 3 HOH 90 390 90 HOH HOH A .
C 3 HOH 91 391 91 HOH HOH A .
C 3 HOH 92 392 92 HOH HOH A .
C 3 HOH 93 393 93 HOH HOH A .
C 3 HOH 94 394 94 HOH HOH A .
C 3 HOH 95 395 95 HOH HOH A .
C 3 HOH 96 396 96 HOH HOH A .
C 3 HOH 97 397 97 HOH HOH A .
C 3 HOH 98 398 98 HOH HOH A .
C 3 HOH 99 399 99 HOH HOH A .
C 3 HOH 100 400 100 HOH HOH A .
C 3 HOH 101 401 101 HOH HOH A .
C 3 HOH 102 402 102 HOH HOH A .
C 3 HOH 103 403 103 HOH HOH A .
C 3 HOH 104 404 104 HOH HOH A .
C 3 HOH 105 405 105 HOH HOH A .
C 3 HOH 106 406 106 HOH HOH A .
C 3 HOH 107 407 107 HOH HOH A .
C 3 HOH 108 408 108 HOH HOH A .
C 3 HOH 109 409 109 HOH HOH A .
C 3 HOH 110 410 110 HOH HOH A .
C 3 HOH 111 411 111 HOH HOH A .
C 3 HOH 112 412 112 HOH HOH A .
C 3 HOH 113 413 113 HOH HOH A .
C 3 HOH 114 414 114 HOH HOH A .
C 3 HOH 115 415 115 HOH HOH A .
C 3 HOH 116 416 116 HOH HOH A .
C 3 HOH 117 417 117 HOH HOH A .
C 3 HOH 118 418 118 HOH HOH A .
C 3 HOH 119 419 119 HOH HOH A .
C 3 HOH 120 420 120 HOH HOH A .
C 3 HOH 121 421 121 HOH HOH A .
C 3 HOH 122 422 122 HOH HOH A .
C 3 HOH 123 423 123 HOH HOH A .
C 3 HOH 124 424 124 HOH HOH A .
C 3 HOH 125 425 125 HOH HOH A .
C 3 HOH 126 426 126 HOH HOH A .
C 3 HOH 127 427 127 HOH HOH A .
C 3 HOH 128 428 128 HOH HOH A .
C 3 HOH 129 429 129 HOH HOH A .
C 3 HOH 130 430 130 HOH HOH A .
C 3 HOH 131 431 131 HOH HOH A .
C 3 HOH 132 432 132 HOH HOH A .
C 3 HOH 133 433 133 HOH HOH A .
C 3 HOH 134 434 134 HOH HOH A .
C 3 HOH 135 435 135 HOH HOH A .
C 3 HOH 136 436 136 HOH HOH A .
C 3 HOH 137 437 137 HOH HOH A .
C 3 HOH 138 438 138 HOH HOH A .
C 3 HOH 139 439 139 HOH HOH A .
C 3 HOH 140 440 140 HOH HOH A .
C 3 HOH 141 441 141 HOH HOH A .
C 3 HOH 142 442 142 HOH HOH A .
C 3 HOH 143 443 143 HOH HOH A .
C 3 HOH 144 444 144 HOH HOH A .
C 3 HOH 145 445 145 HOH HOH A .
C 3 HOH 146 446 146 HOH HOH A .
C 3 HOH 147 447 147 HOH HOH A .
C 3 HOH 148 448 148 HOH HOH A .
C 3 HOH 149 449 149 HOH HOH A .
C 3 HOH 150 450 150 HOH HOH A .
C 3 HOH 151 451 151 HOH HOH A .
C 3 HOH 152 452 152 HOH HOH A .
C 3 HOH 153 453 153 HOH HOH A .
C 3 HOH 154 454 154 HOH HOH A .
C 3 HOH 155 455 155 HOH HOH A .
C 3 HOH 156 456 156 HOH HOH A .
C 3 HOH 157 457 157 HOH HOH A .
C 3 HOH 158 458 158 HOH HOH A .
C 3 HOH 159 459 159 HOH HOH A .
C 3 HOH 160 460 160 HOH HOH A .
C 3 HOH 161 461 161 HOH HOH A .
C 3 HOH 162 462 162 HOH HOH A .
C 3 HOH 163 463 163 HOH HOH A .
C 3 HOH 164 464 164 HOH HOH A .
C 3 HOH 165 465 165 HOH HOH A .
C 3 HOH 166 466 166 HOH HOH A .
C 3 HOH 167 467 167 HOH HOH A .
C 3 HOH 168 468 168 HOH HOH A .
#
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