data_3HFF
# 
_entry.id   3HFF 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.351 
_audit_conform.dict_location   http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic 
# 
loop_
_database_2.database_id 
_database_2.database_code 
_database_2.pdbx_database_accession 
_database_2.pdbx_DOI 
PDB   3HFF         pdb_00003hff 10.2210/pdb3hff/pdb 
RCSB  RCSB053068   ?            ?                   
WWPDB D_1000053068 ?            ?                   
# 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.entry_id                        3HFF 
_pdbx_database_status.recvd_initial_deposition_date   2009-05-11 
_pdbx_database_status.deposit_site                    RCSB 
_pdbx_database_status.process_site                    PDBJ 
_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                  ? 
_pdbx_database_status.methods_development_category    ? 
_pdbx_database_status.status_code_nmr_data            ? 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
'Saraboji, K.'   1 
'Nordlund, A.'   2 
'Leinartait, L.' 3 
'Oliveberg, M.'  4 
'Logan, D.T.'    5 
# 
_citation.id                        primary 
_citation.title                     'Functional features cause misfolding of the ALS-provoking enzyme SOD1.' 
_citation.journal_abbrev            Proc.Natl.Acad.Sci.USA 
_citation.journal_volume            106 
_citation.page_first                9667 
_citation.page_last                 9672 
_citation.year                      2009 
_citation.journal_id_ASTM           PNASA6 
_citation.country                   US 
_citation.journal_id_ISSN           0027-8424 
_citation.journal_id_CSD            0040 
_citation.book_publisher            ? 
_citation.pdbx_database_id_PubMed   19497878 
_citation.pdbx_database_id_DOI      10.1073/pnas.0812046106 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Nordlund, A.'    1 ? 
primary 'Leinartaite, L.' 2 ? 
primary 'Saraboji, K.'    3 ? 
primary 'Aisenbrey, C.'   4 ? 
primary 'Grobner, G.'     5 ? 
primary 'Zetterstrom, P.' 6 ? 
primary 'Danielsson, J.'  7 ? 
primary 'Logan, D.T.'     8 ? 
primary 'Oliveberg, M.'   9 ? 
# 
_cell.entry_id           3HFF 
_cell.length_a           36.670 
_cell.length_b           36.670 
_cell.length_c           144.390 
_cell.angle_alpha        90.00 
_cell.angle_beta         90.00 
_cell.angle_gamma        120.00 
_cell.Z_PDB              6 
_cell.pdbx_unique_axis   ? 
_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.entry_id                         3HFF 
_symmetry.space_group_name_H-M             'P 31 2 1' 
_symmetry.pdbx_full_space_group_name_H-M   ? 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                152 
_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 'Superoxide dismutase [Cu-Zn]' 15636.213 1  1.15.1.1 'C6A, C111A, F50E, G51E, H63S, H71S, H80S, D83S' ? ? 
2 non-polymer syn 'ZINC ION'                     65.409    5  ?        ?                                                ? ? 
3 water       nat water                          18.015    28 ?        ?                                                ? ? 
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        'CU/ZN SUPEROXIDE DISMUTASE' 
# 
_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       
;ATKAVAVLKGDGPVQGIINFEQKESNGPVKVWGSIKGLTEGLHGFHVHEEEDNTAGCTSAGPSFNPLSRKSGGPKDEERS
VGSLGNVTADKDGVADVSIEDSVISLSGDHAIIGRTLVVHEKADDLGKGGNEESTKTGNAGSRLACGVIGIAQ
;
_entity_poly.pdbx_seq_one_letter_code_can   
;ATKAVAVLKGDGPVQGIINFEQKESNGPVKVWGSIKGLTEGLHGFHVHEEEDNTAGCTSAGPSFNPLSRKSGGPKDEERS
VGSLGNVTADKDGVADVSIEDSVISLSGDHAIIGRTLVVHEKADDLGKGGNEESTKTGNAGSRLACGVIGIAQ
;
_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   ALA n 
1 2   THR n 
1 3   LYS n 
1 4   ALA n 
1 5   VAL n 
1 6   ALA n 
1 7   VAL n 
1 8   LEU n 
1 9   LYS n 
1 10  GLY n 
1 11  ASP n 
1 12  GLY n 
1 13  PRO n 
1 14  VAL n 
1 15  GLN n 
1 16  GLY n 
1 17  ILE n 
1 18  ILE n 
1 19  ASN n 
1 20  PHE n 
1 21  GLU n 
1 22  GLN n 
1 23  LYS n 
1 24  GLU n 
1 25  SER n 
1 26  ASN n 
1 27  GLY n 
1 28  PRO n 
1 29  VAL n 
1 30  LYS n 
1 31  VAL n 
1 32  TRP n 
1 33  GLY n 
1 34  SER n 
1 35  ILE n 
1 36  LYS n 
1 37  GLY n 
1 38  LEU n 
1 39  THR n 
1 40  GLU n 
1 41  GLY n 
1 42  LEU n 
1 43  HIS n 
1 44  GLY n 
1 45  PHE n 
1 46  HIS n 
1 47  VAL n 
1 48  HIS n 
1 49  GLU n 
1 50  GLU n 
1 51  GLU n 
1 52  ASP n 
1 53  ASN n 
1 54  THR n 
1 55  ALA n 
1 56  GLY n 
1 57  CYS n 
1 58  THR n 
1 59  SER n 
1 60  ALA n 
1 61  GLY n 
1 62  PRO n 
1 63  SER n 
1 64  PHE n 
1 65  ASN n 
1 66  PRO n 
1 67  LEU n 
1 68  SER n 
1 69  ARG n 
1 70  LYS n 
1 71  SER n 
1 72  GLY n 
1 73  GLY n 
1 74  PRO n 
1 75  LYS n 
1 76  ASP n 
1 77  GLU n 
1 78  GLU n 
1 79  ARG n 
1 80  SER n 
1 81  VAL n 
1 82  GLY n 
1 83  SER n 
1 84  LEU n 
1 85  GLY n 
1 86  ASN n 
1 87  VAL n 
1 88  THR n 
1 89  ALA n 
1 90  ASP n 
1 91  LYS n 
1 92  ASP n 
1 93  GLY n 
1 94  VAL n 
1 95  ALA n 
1 96  ASP n 
1 97  VAL n 
1 98  SER n 
1 99  ILE n 
1 100 GLU n 
1 101 ASP n 
1 102 SER n 
1 103 VAL n 
1 104 ILE n 
1 105 SER n 
1 106 LEU n 
1 107 SER n 
1 108 GLY n 
1 109 ASP n 
1 110 HIS n 
1 111 ALA n 
1 112 ILE n 
1 113 ILE n 
1 114 GLY n 
1 115 ARG n 
1 116 THR n 
1 117 LEU n 
1 118 VAL n 
1 119 VAL n 
1 120 HIS n 
1 121 GLU n 
1 122 LYS n 
1 123 ALA n 
1 124 ASP n 
1 125 ASP n 
1 126 LEU n 
1 127 GLY n 
1 128 LYS n 
1 129 GLY n 
1 130 GLY n 
1 131 ASN n 
1 132 GLU n 
1 133 GLU n 
1 134 SER n 
1 135 THR n 
1 136 LYS n 
1 137 THR n 
1 138 GLY n 
1 139 ASN n 
1 140 ALA n 
1 141 GLY n 
1 142 SER n 
1 143 ARG n 
1 144 LEU n 
1 145 ALA n 
1 146 CYS n 
1 147 GLY n 
1 148 VAL n 
1 149 ILE n 
1 150 GLY n 
1 151 ILE n 
1 152 ALA n 
1 153 GLN 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               human 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 SOD1 
_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      'Homo sapiens' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     9606 
_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/DE3 
_entity_src_gen.pdbx_host_org_variant              ? 
_entity_src_gen.pdbx_host_org_cell_line            ? 
_entity_src_gen.pdbx_host_org_atcc                 ? 
_entity_src_gen.pdbx_host_org_culture_collection   ? 
_entity_src_gen.pdbx_host_org_cell                 ? 
_entity_src_gen.pdbx_host_org_organelle            ? 
_entity_src_gen.pdbx_host_org_cellular_location    ? 
_entity_src_gen.pdbx_host_org_vector_type          ? 
_entity_src_gen.pdbx_host_org_vector               ? 
_entity_src_gen.host_org_details                   ? 
_entity_src_gen.expression_system_id               ? 
_entity_src_gen.plasmid_name                       ? 
_entity_src_gen.plasmid_details                    ? 
_entity_src_gen.pdbx_description                   ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    SODC_HUMAN 
_struct_ref.pdbx_db_accession          P00441 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;ATKAVCVLKGDGPVQGIINFEQKESNGPVKVWGSIKGLTEGLHGFHVHEFGDNTAGCTSAGPHFNPLSRKHGGPKDEERH
VGDLGNVTADKDGVADVSIEDSVISLSGDHCIIGRTLVVHEKADDLGKGGNEESTKTGNAGSRLACGVIGIAQ
;
_struct_ref.pdbx_align_begin           2 
_struct_ref.pdbx_db_isoform            ? 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              3HFF 
_struct_ref_seq.pdbx_strand_id                A 
_struct_ref_seq.seq_align_beg                 1 
_struct_ref_seq.pdbx_seq_align_beg_ins_code   ? 
_struct_ref_seq.seq_align_end                 153 
_struct_ref_seq.pdbx_seq_align_end_ins_code   ? 
_struct_ref_seq.pdbx_db_accession             P00441 
_struct_ref_seq.db_align_beg                  2 
_struct_ref_seq.pdbx_db_align_beg_ins_code    ? 
_struct_ref_seq.db_align_end                  154 
_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       153 
# 
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 3HFF ALA A 6   ? UNP P00441 CYS 7   'engineered mutation' 6   1 
1 3HFF GLU A 50  ? UNP P00441 PHE 51  'engineered mutation' 50  2 
1 3HFF GLU A 51  ? UNP P00441 GLY 52  'engineered mutation' 51  3 
1 3HFF SER A 63  ? UNP P00441 HIS 64  'engineered mutation' 63  4 
1 3HFF SER A 71  ? UNP P00441 HIS 72  'engineered mutation' 71  5 
1 3HFF SER A 80  ? UNP P00441 HIS 81  'engineered mutation' 80  6 
1 3HFF SER A 83  ? UNP P00441 ASP 84  'engineered mutation' 83  7 
1 3HFF ALA A 111 ? UNP P00441 CYS 112 'engineered mutation' 111 8 
# 
loop_
_chem_comp.id 
_chem_comp.type 
_chem_comp.mon_nstd_flag 
_chem_comp.name 
_chem_comp.pdbx_synonyms 
_chem_comp.formula 
_chem_comp.formula_weight 
ALA 'L-peptide linking' y ALANINE         ? 'C3 H7 N O2'     89.093  
ARG 'L-peptide linking' y ARGININE        ? 'C6 H15 N4 O2 1' 175.209 
ASN 'L-peptide linking' y ASPARAGINE      ? 'C4 H8 N2 O3'    132.118 
ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4'     133.103 
CYS 'L-peptide linking' y CYSTEINE        ? 'C3 H7 N O2 S'   121.158 
GLN 'L-peptide linking' y GLUTAMINE       ? 'C5 H10 N2 O3'   146.144 
GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4'     147.129 
GLY 'peptide linking'   y GLYCINE         ? 'C2 H5 N O2'     75.067  
HIS 'L-peptide linking' y HISTIDINE       ? 'C6 H10 N3 O2 1' 156.162 
HOH non-polymer         . WATER           ? 'H2 O'           18.015  
ILE 'L-peptide linking' y ISOLEUCINE      ? 'C6 H13 N O2'    131.173 
LEU 'L-peptide linking' y LEUCINE         ? 'C6 H13 N O2'    131.173 
LYS 'L-peptide linking' y LYSINE          ? 'C6 H15 N2 O2 1' 147.195 
PHE 'L-peptide linking' y PHENYLALANINE   ? 'C9 H11 N O2'    165.189 
PRO 'L-peptide linking' y PROLINE         ? 'C5 H9 N O2'     115.130 
SER 'L-peptide linking' y SERINE          ? 'C3 H7 N O3'     105.093 
THR 'L-peptide linking' y THREONINE       ? 'C4 H9 N O3'     119.119 
TRP 'L-peptide linking' y TRYPTOPHAN      ? 'C11 H12 N2 O2'  204.225 
VAL 'L-peptide linking' y VALINE          ? 'C5 H11 N O2'    117.146 
ZN  non-polymer         . 'ZINC ION'      ? 'Zn 2'           65.409  
# 
_exptl.entry_id          3HFF 
_exptl.method            'X-RAY DIFFRACTION' 
_exptl.crystals_number   1 
# 
_exptl_crystal.id                    1 
_exptl_crystal.density_meas          ? 
_exptl_crystal.density_Matthews      1.79 
_exptl_crystal.density_percent_sol   31.50 
_exptl_crystal.description           ? 
_exptl_crystal.F_000                 ? 
_exptl_crystal.preparation           ? 
# 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, HANGING DROP' 
_exptl_crystal_grow.temp            293 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.pH              8.0 
_exptl_crystal_grow.pdbx_details    
'16% PEG 6000, 10% Jeffamine M-600 (pH 7.0), 0.1M Tris-HCl (pH 8.0), 0.1M ZnCl2, VAPOR DIFFUSION, HANGING DROP, temperature 293K' 
_exptl_crystal_grow.pdbx_pH_range   . 
# 
_diffrn.id                     1 
_diffrn.ambient_temp           100 
_diffrn.ambient_temp_details   ? 
_diffrn.crystal_id             1 
# 
_diffrn_detector.diffrn_id              1 
_diffrn_detector.detector               CCD 
_diffrn_detector.type                   'MAR CCD 165 mm' 
_diffrn_detector.pdbx_collection_date   2008-10-22 
_diffrn_detector.details                ? 
# 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   M 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.9083 
_diffrn_radiation_wavelength.wt           1.0 
# 
_diffrn_source.diffrn_id                   1 
_diffrn_source.source                      SYNCHROTRON 
_diffrn_source.type                        'MAX II BEAMLINE I911-5' 
_diffrn_source.pdbx_synchrotron_site       'MAX II' 
_diffrn_source.pdbx_synchrotron_beamline   I911-5 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_wavelength_list        0.9083 
# 
_reflns.entry_id                     3HFF 
_reflns.observed_criterion_sigma_I   1.0 
_reflns.observed_criterion_sigma_F   1.0 
_reflns.d_resolution_low             20.0 
_reflns.d_resolution_high            2.2 
_reflns.number_obs                   5811 
_reflns.number_all                   5811 
_reflns.percent_possible_obs         93.2 
_reflns.pdbx_Rmerge_I_obs            0.059 
_reflns.pdbx_Rsym_value              ? 
_reflns.pdbx_netI_over_sigmaI        14.35 
_reflns.B_iso_Wilson_estimate        ? 
_reflns.pdbx_redundancy              4.7 
_reflns.R_free_details               ? 
_reflns.limit_h_max                  ? 
_reflns.limit_h_min                  ? 
_reflns.limit_k_max                  ? 
_reflns.limit_k_min                  ? 
_reflns.limit_l_max                  ? 
_reflns.limit_l_min                  ? 
_reflns.observed_criterion_F_max     ? 
_reflns.observed_criterion_F_min     ? 
_reflns.pdbx_chi_squared             ? 
_reflns.pdbx_scaling_rejects         ? 
_reflns.pdbx_ordinal                 1 
_reflns.pdbx_diffrn_id               1 
# 
_reflns_shell.d_res_high             2.2 
_reflns_shell.d_res_low              2.3 
_reflns_shell.percent_possible_all   82.7 
_reflns_shell.Rmerge_I_obs           0.49 
_reflns_shell.pdbx_Rsym_value        ? 
_reflns_shell.meanI_over_sigI_obs    2.17 
_reflns_shell.pdbx_redundancy        3.0 
_reflns_shell.percent_possible_obs   ? 
_reflns_shell.number_unique_all      623 
_reflns_shell.number_measured_all    ? 
_reflns_shell.number_measured_obs    ? 
_reflns_shell.number_unique_obs      ? 
_reflns_shell.pdbx_chi_squared       ? 
_reflns_shell.pdbx_ordinal           1 
_reflns_shell.pdbx_diffrn_id         1 
# 
_refine.entry_id                                 3HFF 
_refine.ls_number_reflns_obs                     5250 
_refine.ls_number_reflns_all                     ? 
_refine.pdbx_ls_sigma_I                          ? 
_refine.pdbx_ls_sigma_F                          0 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.ls_d_res_low                             17.13 
_refine.ls_d_res_high                            2.20 
_refine.ls_percent_reflns_obs                    93.47 
_refine.ls_R_factor_obs                          0.22914 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_R_work                       0.22363 
_refine.ls_R_factor_R_free                       0.28087 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_percent_reflns_R_free                 9.6 
_refine.ls_number_reflns_R_free                  559 
_refine.ls_number_parameters                     ? 
_refine.ls_number_restraints                     ? 
_refine.occupancy_min                            ? 
_refine.occupancy_max                            ? 
_refine.correlation_coeff_Fo_to_Fc               0.937 
_refine.correlation_coeff_Fo_to_Fc_free          0.902 
_refine.B_iso_mean                               23.170 
_refine.aniso_B[1][1]                            -0.02 
_refine.aniso_B[2][2]                            -0.02 
_refine.aniso_B[3][3]                            0.03 
_refine.aniso_B[1][2]                            -0.01 
_refine.aniso_B[1][3]                            0.00 
_refine.aniso_B[2][3]                            0.00 
_refine.solvent_model_details                    MASK 
_refine.solvent_model_param_ksol                 ? 
_refine.solvent_model_param_bsol                 ? 
_refine.pdbx_solvent_vdw_probe_radii             1.40 
_refine.pdbx_solvent_ion_probe_radii             0.80 
_refine.pdbx_solvent_shrinkage_radii             0.80 
_refine.pdbx_ls_cross_valid_method               THROUGHOUT 
_refine.details                                  'HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS' 
_refine.pdbx_starting_model                      ? 
_refine.pdbx_method_to_determine_struct          'MOLECULAR REPLACEMENT' 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.pdbx_stereochemistry_target_values       'MAXIMUM LIKELIHOOD' 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_R_Free_selection_details            RANDOM 
_refine.pdbx_overall_ESU_R                       0.355 
_refine.pdbx_overall_ESU_R_Free                  0.263 
_refine.overall_SU_ML                            0.217 
_refine.overall_SU_B                             16.876 
_refine.ls_redundancy_reflns_obs                 ? 
_refine.B_iso_min                                ? 
_refine.B_iso_max                                ? 
_refine.overall_SU_R_Cruickshank_DPI             ? 
_refine.overall_SU_R_free                        ? 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_wR_factor_R_work                      ? 
_refine.overall_FOM_free_R_set                   ? 
_refine.overall_FOM_work_R_set                   ? 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.pdbx_overall_phase_error                 ? 
_refine.pdbx_TLS_residual_ADP_flag               'LIKELY RESIDUAL' 
_refine.pdbx_diffrn_id                           1 
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI   ? 
_refine.pdbx_overall_SU_R_Blow_DPI               ? 
_refine.pdbx_overall_SU_R_free_Blow_DPI          ? 
# 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.cycle_id                         LAST 
_refine_hist.pdbx_number_atoms_protein        818 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         5 
_refine_hist.number_atoms_solvent             28 
_refine_hist.number_atoms_total               851 
_refine_hist.d_res_high                       2.20 
_refine_hist.d_res_low                        17.13 
# 
loop_
_refine_ls_restr.type 
_refine_ls_restr.dev_ideal 
_refine_ls_restr.dev_ideal_target 
_refine_ls_restr.weight 
_refine_ls_restr.number 
_refine_ls_restr.pdbx_refine_id 
_refine_ls_restr.pdbx_restraint_function 
r_bond_refined_d       0.015  0.021  ? 828  'X-RAY DIFFRACTION' ? 
r_bond_other_d         0.001  0.020  ? 529  'X-RAY DIFFRACTION' ? 
r_angle_refined_deg    1.397  1.950  ? 1116 'X-RAY DIFFRACTION' ? 
r_angle_other_deg      1.743  3.000  ? 1310 'X-RAY DIFFRACTION' ? 
r_dihedral_angle_1_deg 6.839  5.000  ? 112  'X-RAY DIFFRACTION' ? 
r_dihedral_angle_2_deg 47.527 26.250 ? 32   'X-RAY DIFFRACTION' ? 
r_dihedral_angle_3_deg 18.798 15.000 ? 136  'X-RAY DIFFRACTION' ? 
r_dihedral_angle_4_deg 21.184 15.000 ? 2    'X-RAY DIFFRACTION' ? 
r_chiral_restr         0.089  0.200  ? 131  'X-RAY DIFFRACTION' ? 
r_gen_planes_refined   0.004  0.020  ? 942  'X-RAY DIFFRACTION' ? 
r_gen_planes_other     0.001  0.020  ? 143  'X-RAY DIFFRACTION' ? 
r_mcbond_it            0.624  1.500  ? 556  'X-RAY DIFFRACTION' ? 
r_mcbond_other         0.126  1.500  ? 246  'X-RAY DIFFRACTION' ? 
r_mcangle_it           1.126  2.000  ? 880  'X-RAY DIFFRACTION' ? 
r_scbond_it            1.698  3.000  ? 272  'X-RAY DIFFRACTION' ? 
r_scangle_it           2.874  4.500  ? 236  'X-RAY DIFFRACTION' ? 
# 
_refine_ls_shell.pdbx_total_number_of_bins_used   20 
_refine_ls_shell.d_res_high                       2.200 
_refine_ls_shell.d_res_low                        2.256 
_refine_ls_shell.number_reflns_R_work             329 
_refine_ls_shell.R_factor_R_work                  0.306 
_refine_ls_shell.percent_reflns_obs               82.05 
_refine_ls_shell.R_factor_R_free                  0.400 
_refine_ls_shell.R_factor_R_free_error            ? 
_refine_ls_shell.percent_reflns_R_free            ? 
_refine_ls_shell.number_reflns_R_free             32 
_refine_ls_shell.number_reflns_all                ? 
_refine_ls_shell.R_factor_all                     ? 
_refine_ls_shell.number_reflns_obs                ? 
_refine_ls_shell.redundancy_reflns_obs            ? 
_refine_ls_shell.pdbx_refine_id                   'X-RAY DIFFRACTION' 
# 
_struct.entry_id                  3HFF 
_struct.title                     'Monomeric human Cu,Zn Superoxide dismutase without Zn ligands' 
_struct.pdbx_model_details        ? 
_struct.pdbx_CASP_flag            ? 
_struct.pdbx_model_type_details   ? 
# 
_struct_keywords.entry_id        3HFF 
_struct_keywords.pdbx_keywords   OXIDOREDUCTASE 
_struct_keywords.text            
;OXIDOREDUCTASE, SOD1, MONOMERIC MUTANT, Amyotrophic lateral sclerosis, Antioxidant, Disease mutation, Disulfide bond, Metal-binding, Neurodegeneration, Phosphoprotein
;
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 2 ? 
C N N 2 ? 
D N N 2 ? 
E N N 2 ? 
F N N 2 ? 
G N N 3 ? 
# 
_struct_biol.id        1 
_struct_biol.details   'The oligomeric state predicted by PISA is a putative dimer.' 
# 
loop_
_struct_conn.id 
_struct_conn.conn_type_id 
_struct_conn.pdbx_leaving_atom_flag 
_struct_conn.pdbx_PDB_id 
_struct_conn.ptnr1_label_asym_id 
_struct_conn.ptnr1_label_comp_id 
_struct_conn.ptnr1_label_seq_id 
_struct_conn.ptnr1_label_atom_id 
_struct_conn.pdbx_ptnr1_label_alt_id 
_struct_conn.pdbx_ptnr1_PDB_ins_code 
_struct_conn.pdbx_ptnr1_standard_comp_id 
_struct_conn.ptnr1_symmetry 
_struct_conn.ptnr2_label_asym_id 
_struct_conn.ptnr2_label_comp_id 
_struct_conn.ptnr2_label_seq_id 
_struct_conn.ptnr2_label_atom_id 
_struct_conn.pdbx_ptnr2_label_alt_id 
_struct_conn.pdbx_ptnr2_PDB_ins_code 
_struct_conn.ptnr1_auth_asym_id 
_struct_conn.ptnr1_auth_comp_id 
_struct_conn.ptnr1_auth_seq_id 
_struct_conn.ptnr2_auth_asym_id 
_struct_conn.ptnr2_auth_comp_id 
_struct_conn.ptnr2_auth_seq_id 
_struct_conn.ptnr2_symmetry 
_struct_conn.pdbx_ptnr3_label_atom_id 
_struct_conn.pdbx_ptnr3_label_seq_id 
_struct_conn.pdbx_ptnr3_label_comp_id 
_struct_conn.pdbx_ptnr3_label_asym_id 
_struct_conn.pdbx_ptnr3_label_alt_id 
_struct_conn.pdbx_ptnr3_PDB_ins_code 
_struct_conn.details 
_struct_conn.pdbx_dist_value 
_struct_conn.pdbx_value_order 
_struct_conn.pdbx_role 
metalc1  metalc ? ? A ALA 1   N   ? ? ? 1_555 D ZN  . ZN ? ? A ALA 1   A ZN  156 1_555 ? ? ? ? ? ? ? 2.228 ? ? 
metalc2  metalc ? ? A ALA 1   O   ? ? ? 1_555 D ZN  . ZN ? ? A ALA 1   A ZN  156 1_555 ? ? ? ? ? ? ? 2.231 ? ? 
metalc3  metalc ? ? A HIS 46  ND1 ? ? ? 1_555 B ZN  . ZN ? ? A HIS 46  A ZN  154 1_555 ? ? ? ? ? ? ? 1.982 ? ? 
metalc4  metalc ? ? A ASP 90  OD2 ? ? ? 1_555 C ZN  . ZN ? ? A ASP 90  A ZN  155 1_555 ? ? ? ? ? ? ? 1.813 ? ? 
metalc5  metalc ? ? A HIS 110 NE2 ? ? ? 1_555 E ZN  . ZN ? ? A HIS 110 A ZN  158 1_555 ? ? ? ? ? ? ? 2.057 ? ? 
metalc6  metalc ? ? A HIS 120 NE2 ? ? ? 1_555 B ZN  . ZN ? ? A HIS 120 A ZN  154 1_555 ? ? ? ? ? ? ? 1.954 ? ? 
metalc7  metalc ? ? A ASP 125 OD2 ? ? ? 1_555 F ZN  . ZN ? ? A ASP 125 A ZN  159 1_555 ? ? ? ? ? ? ? 1.993 ? ? 
metalc8  metalc ? ? B ZN  .   ZN  ? ? ? 1_555 G HOH . O  ? ? A ZN  154 A HOH 211 1_555 ? ? ? ? ? ? ? 2.126 ? ? 
metalc9  metalc ? ? C ZN  .   ZN  ? ? ? 1_555 G HOH . O  ? ? A ZN  155 A HOH 208 1_555 ? ? ? ? ? ? ? 2.351 ? ? 
metalc10 metalc ? ? D ZN  .   ZN  ? ? ? 1_555 G HOH . O  ? ? A ZN  156 A HOH 206 1_555 ? ? ? ? ? ? ? 2.151 ? ? 
metalc11 metalc ? ? D ZN  .   ZN  ? ? ? 1_555 G HOH . O  ? ? A ZN  156 A HOH 209 1_555 ? ? ? ? ? ? ? 2.316 ? ? 
metalc12 metalc ? ? F ZN  .   ZN  ? ? ? 1_555 G HOH . O  ? ? A ZN  159 A HOH 219 1_555 ? ? ? ? ? ? ? 1.898 ? ? 
# 
_struct_conn_type.id          metalc 
_struct_conn_type.criteria    ? 
_struct_conn_type.reference   ? 
# 
loop_
_struct_sheet.id 
_struct_sheet.type 
_struct_sheet.number_strands 
_struct_sheet.details 
A ? 8 ? 
B ? 6 ? 
# 
loop_
_struct_sheet_order.sheet_id 
_struct_sheet_order.range_id_1 
_struct_sheet_order.range_id_2 
_struct_sheet_order.offset 
_struct_sheet_order.sense 
A 1 2 ? anti-parallel 
A 2 3 ? anti-parallel 
A 3 4 ? anti-parallel 
A 4 5 ? anti-parallel 
A 5 6 ? anti-parallel 
A 6 7 ? anti-parallel 
A 7 8 ? anti-parallel 
B 1 2 ? anti-parallel 
B 2 3 ? anti-parallel 
B 3 4 ? anti-parallel 
B 4 5 ? anti-parallel 
B 5 6 ? anti-parallel 
# 
loop_
_struct_sheet_range.sheet_id 
_struct_sheet_range.id 
_struct_sheet_range.beg_label_comp_id 
_struct_sheet_range.beg_label_asym_id 
_struct_sheet_range.beg_label_seq_id 
_struct_sheet_range.pdbx_beg_PDB_ins_code 
_struct_sheet_range.end_label_comp_id 
_struct_sheet_range.end_label_asym_id 
_struct_sheet_range.end_label_seq_id 
_struct_sheet_range.pdbx_end_PDB_ins_code 
_struct_sheet_range.beg_auth_comp_id 
_struct_sheet_range.beg_auth_asym_id 
_struct_sheet_range.beg_auth_seq_id 
_struct_sheet_range.end_auth_comp_id 
_struct_sheet_range.end_auth_asym_id 
_struct_sheet_range.end_auth_seq_id 
A 1 GLY A 82  ? ALA A 89  ? GLY A 82  ALA A 89  
A 2 GLY A 41  ? VAL A 47  ? GLY A 41  VAL A 47  
A 3 THR A 116 ? HIS A 120 ? THR A 116 HIS A 120 
A 4 ARG A 143 ? VAL A 148 ? ARG A 143 VAL A 148 
A 5 THR A 2   ? GLY A 10  ? THR A 2   GLY A 10  
A 6 GLN A 15  ? GLN A 22  ? GLN A 15  GLN A 22  
A 7 VAL A 29  ? LYS A 36  ? VAL A 29  LYS A 36  
A 8 ALA A 95  ? ASP A 101 ? ALA A 95  ASP A 101 
B 1 GLY A 82  ? ALA A 89  ? GLY A 82  ALA A 89  
B 2 GLY A 41  ? VAL A 47  ? GLY A 41  VAL A 47  
B 3 THR A 116 ? HIS A 120 ? THR A 116 HIS A 120 
B 4 ARG A 143 ? VAL A 148 ? ARG A 143 VAL A 148 
B 5 THR A 2   ? GLY A 10  ? THR A 2   GLY A 10  
B 6 GLY A 150 ? ILE A 151 ? GLY A 150 ILE A 151 
# 
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 ALA A 89  ? O ALA A 89  N GLY A 41  ? N GLY A 41  
A 2 3 N GLY A 44  ? N GLY A 44  O HIS A 120 ? O HIS A 120 
A 3 4 N LEU A 117 ? N LEU A 117 O GLY A 147 ? O GLY A 147 
A 4 5 O CYS A 146 ? O CYS A 146 N LYS A 9   ? N LYS A 9   
A 5 6 N LEU A 8   ? N LEU A 8   O GLY A 16  ? O GLY A 16  
A 6 7 N ASN A 19  ? N ASN A 19  O TRP A 32  ? O TRP A 32  
A 7 8 N GLY A 33  ? N GLY A 33  O VAL A 97  ? O VAL A 97  
B 1 2 O ALA A 89  ? O ALA A 89  N GLY A 41  ? N GLY A 41  
B 2 3 N GLY A 44  ? N GLY A 44  O HIS A 120 ? O HIS A 120 
B 3 4 N LEU A 117 ? N LEU A 117 O GLY A 147 ? O GLY A 147 
B 4 5 O CYS A 146 ? O CYS A 146 N LYS A 9   ? N LYS A 9   
B 5 6 N VAL A 5   ? N VAL A 5   O GLY A 150 ? O GLY A 150 
# 
loop_
_struct_site.id 
_struct_site.pdbx_evidence_code 
_struct_site.pdbx_auth_asym_id 
_struct_site.pdbx_auth_comp_id 
_struct_site.pdbx_auth_seq_id 
_struct_site.pdbx_auth_ins_code 
_struct_site.pdbx_num_residues 
_struct_site.details 
AC1 Software A ZN 154 ? 4 'BINDING SITE FOR RESIDUE ZN A 154' 
AC2 Software A ZN 155 ? 5 'BINDING SITE FOR RESIDUE ZN A 155' 
AC3 Software A ZN 156 ? 4 'BINDING SITE FOR RESIDUE ZN A 156' 
AC4 Software A ZN 158 ? 4 'BINDING SITE FOR RESIDUE ZN A 158' 
AC5 Software A ZN 159 ? 3 'BINDING SITE FOR RESIDUE ZN A 159' 
# 
loop_
_struct_site_gen.id 
_struct_site_gen.site_id 
_struct_site_gen.pdbx_num_res 
_struct_site_gen.label_comp_id 
_struct_site_gen.label_asym_id 
_struct_site_gen.label_seq_id 
_struct_site_gen.pdbx_auth_ins_code 
_struct_site_gen.auth_comp_id 
_struct_site_gen.auth_asym_id 
_struct_site_gen.auth_seq_id 
_struct_site_gen.label_atom_id 
_struct_site_gen.label_alt_id 
_struct_site_gen.symmetry 
_struct_site_gen.details 
1  AC1 4 HIS A 46  ? HIS A 46  . ? 1_555 ? 
2  AC1 4 HIS A 120 ? HIS A 120 . ? 1_555 ? 
3  AC1 4 HOH G .   ? HOH A 211 . ? 1_555 ? 
4  AC1 4 HOH G .   ? HOH A 212 . ? 1_555 ? 
5  AC2 5 ASP A 90  ? ASP A 90  . ? 1_555 ? 
6  AC2 5 ASP A 92  ? ASP A 92  . ? 1_555 ? 
7  AC2 5 HOH G .   ? HOH A 204 . ? 4_545 ? 
8  AC2 5 HOH G .   ? HOH A 207 . ? 1_555 ? 
9  AC2 5 HOH G .   ? HOH A 208 . ? 1_555 ? 
10 AC3 4 ALA A 1   ? ALA A 1   . ? 1_555 ? 
11 AC3 4 ASP A 96  ? ASP A 96  . ? 4_655 ? 
12 AC3 4 HOH G .   ? HOH A 206 . ? 1_555 ? 
13 AC3 4 HOH G .   ? HOH A 209 . ? 1_555 ? 
14 AC4 4 ASP A 11  ? ASP A 11  . ? 1_565 ? 
15 AC4 4 HIS A 110 ? HIS A 110 . ? 1_555 ? 
16 AC4 4 HOH G .   ? HOH A 220 . ? 1_565 ? 
17 AC4 4 HOH G .   ? HOH A 222 . ? 1_555 ? 
18 AC5 3 ASP A 125 ? ASP A 125 . ? 1_555 ? 
19 AC5 3 HOH G .   ? HOH A 216 . ? 1_555 ? 
20 AC5 3 HOH G .   ? HOH A 219 . ? 1_555 ? 
# 
_database_PDB_matrix.entry_id          3HFF 
_database_PDB_matrix.origx[1][1]       1.000000 
_database_PDB_matrix.origx[1][2]       0.000000 
_database_PDB_matrix.origx[1][3]       0.000000 
_database_PDB_matrix.origx[2][1]       0.000000 
_database_PDB_matrix.origx[2][2]       1.000000 
_database_PDB_matrix.origx[2][3]       0.000000 
_database_PDB_matrix.origx[3][1]       0.000000 
_database_PDB_matrix.origx[3][2]       0.000000 
_database_PDB_matrix.origx[3][3]       1.000000 
_database_PDB_matrix.origx_vector[1]   0.00000 
_database_PDB_matrix.origx_vector[2]   0.00000 
_database_PDB_matrix.origx_vector[3]   0.00000 
# 
_atom_sites.entry_id                    3HFF 
_atom_sites.fract_transf_matrix[1][1]   0.027270 
_atom_sites.fract_transf_matrix[1][2]   0.015744 
_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]   0.031489 
_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]   0.006926 
_atom_sites.fract_transf_vector[1]      0.00000 
_atom_sites.fract_transf_vector[2]      0.00000 
_atom_sites.fract_transf_vector[3]      0.00000 
# 
loop_
_atom_type.symbol 
C  
N  
O  
S  
ZN 
# 
loop_
_atom_site.group_PDB 
_atom_site.id 
_atom_site.type_symbol 
_atom_site.label_atom_id 
_atom_site.label_alt_id 
_atom_site.label_comp_id 
_atom_site.label_asym_id 
_atom_site.label_entity_id 
_atom_site.label_seq_id 
_atom_site.pdbx_PDB_ins_code 
_atom_site.Cartn_x 
_atom_site.Cartn_y 
_atom_site.Cartn_z 
_atom_site.occupancy 
_atom_site.B_iso_or_equiv 
_atom_site.pdbx_formal_charge 
_atom_site.auth_seq_id 
_atom_site.auth_comp_id 
_atom_site.auth_asym_id 
_atom_site.auth_atom_id 
_atom_site.pdbx_PDB_model_num 
ATOM   1   N  N   . ALA A 1 1   ? 5.014  -7.067  -5.686 1.00 24.19 ? 1   ALA A N   1 
ATOM   2   C  CA  . ALA A 1 1   ? 5.496  -7.581  -4.338 1.00 24.49 ? 1   ALA A CA  1 
ATOM   3   C  C   . ALA A 1 1   ? 7.014  -7.599  -4.309 1.00 24.54 ? 1   ALA A C   1 
ATOM   4   O  O   . ALA A 1 1   ? 7.627  -7.988  -5.300 1.00 25.20 ? 1   ALA A O   1 
ATOM   5   C  CB  . ALA A 1 1   ? 4.969  -8.997  -4.057 1.00 23.64 ? 1   ALA A CB  1 
ATOM   6   N  N   . THR A 1 2   ? 7.617  -7.195  -3.183 1.00 24.38 ? 2   THR A N   1 
ATOM   7   C  CA  . THR A 1 2   ? 9.081  -7.285  -3.002 1.00 23.99 ? 2   THR A CA  1 
ATOM   8   C  C   . THR A 1 2   ? 9.416  -8.600  -2.358 1.00 22.99 ? 2   THR A C   1 
ATOM   9   O  O   . THR A 1 2   ? 8.757  -8.972  -1.421 1.00 23.30 ? 2   THR A O   1 
ATOM   10  C  CB  . THR A 1 2   ? 9.669  -6.146  -2.101 1.00 24.38 ? 2   THR A CB  1 
ATOM   11  O  OG1 . THR A 1 2   ? 9.113  -4.882  -2.478 1.00 25.04 ? 2   THR A OG1 1 
ATOM   12  C  CG2 . THR A 1 2   ? 11.205 -6.106  -2.218 1.00 22.34 ? 2   THR A CG2 1 
ATOM   13  N  N   . LYS A 1 3   ? 10.460 -9.268  -2.849 1.00 23.00 ? 3   LYS A N   1 
ATOM   14  C  CA  . LYS A 1 3   ? 10.824 -10.625 -2.447 1.00 23.15 ? 3   LYS A CA  1 
ATOM   15  C  C   . LYS A 1 3   ? 12.329 -10.743 -2.173 1.00 22.74 ? 3   LYS A C   1 
ATOM   16  O  O   . LYS A 1 3   ? 13.123 -10.072 -2.807 1.00 21.54 ? 3   LYS A O   1 
ATOM   17  C  CB  . LYS A 1 3   ? 10.463 -11.627 -3.556 1.00 23.72 ? 3   LYS A CB  1 
ATOM   18  C  CG  . LYS A 1 3   ? 8.949  -11.765 -3.874 1.00 25.47 ? 3   LYS A CG  1 
ATOM   19  C  CD  . LYS A 1 3   ? 8.710  -12.147 -5.320 1.00 27.16 ? 3   LYS A CD  1 
ATOM   20  C  CE  . LYS A 1 3   ? 9.252  -11.056 -6.293 1.00 29.35 ? 3   LYS A CE  1 
ATOM   21  N  NZ  . LYS A 1 3   ? 8.561  -11.015 -7.609 1.00 29.78 ? 3   LYS A NZ  1 
ATOM   22  N  N   . ALA A 1 4   ? 12.702 -11.620 -1.237 1.00 22.62 ? 4   ALA A N   1 
ATOM   23  C  CA  . ALA A 1 4   ? 14.095 -11.912 -0.957 1.00 22.93 ? 4   ALA A CA  1 
ATOM   24  C  C   . ALA A 1 4   ? 14.262 -13.350 -0.515 1.00 23.49 ? 4   ALA A C   1 
ATOM   25  O  O   . ALA A 1 4   ? 13.316 -14.002 -0.097 1.00 23.80 ? 4   ALA A O   1 
ATOM   26  C  CB  . ALA A 1 4   ? 14.646 -10.976 0.099  1.00 22.65 ? 4   ALA A CB  1 
ATOM   27  N  N   . VAL A 1 5   ? 15.491 -13.828 -0.585 1.00 24.44 ? 5   VAL A N   1 
ATOM   28  C  CA  . VAL A 1 5   ? 15.837 -15.159 -0.131 1.00 24.99 ? 5   VAL A CA  1 
ATOM   29  C  C   . VAL A 1 5   ? 17.125 -15.081 0.726  1.00 24.80 ? 5   VAL A C   1 
ATOM   30  O  O   . VAL A 1 5   ? 17.990 -14.217 0.506  1.00 23.74 ? 5   VAL A O   1 
ATOM   31  C  CB  . VAL A 1 5   ? 15.968 -16.120 -1.362 1.00 26.02 ? 5   VAL A CB  1 
ATOM   32  C  CG1 . VAL A 1 5   ? 16.910 -17.301 -1.079 1.00 26.90 ? 5   VAL A CG1 1 
ATOM   33  C  CG2 . VAL A 1 5   ? 14.563 -16.652 -1.813 1.00 25.33 ? 5   VAL A CG2 1 
ATOM   34  N  N   . ALA A 1 6   ? 17.199 -15.955 1.733  1.00 24.81 ? 6   ALA A N   1 
ATOM   35  C  CA  . ALA A 1 6   ? 18.427 -16.211 2.476  1.00 25.26 ? 6   ALA A CA  1 
ATOM   36  C  C   . ALA A 1 6   ? 18.745 -17.691 2.318  1.00 25.60 ? 6   ALA A C   1 
ATOM   37  O  O   . ALA A 1 6   ? 17.888 -18.535 2.532  1.00 26.34 ? 6   ALA A O   1 
ATOM   38  C  CB  . ALA A 1 6   ? 18.258 -15.849 3.971  1.00 23.85 ? 6   ALA A CB  1 
ATOM   39  N  N   . VAL A 1 7   ? 19.971 -18.002 1.943  1.00 26.50 ? 7   VAL A N   1 
ATOM   40  C  CA  . VAL A 1 7   ? 20.452 -19.358 1.946  1.00 27.48 ? 7   VAL A CA  1 
ATOM   41  C  C   . VAL A 1 7   ? 21.349 -19.550 3.151  1.00 28.50 ? 7   VAL A C   1 
ATOM   42  O  O   . VAL A 1 7   ? 22.472 -19.026 3.183  1.00 29.34 ? 7   VAL A O   1 
ATOM   43  C  CB  . VAL A 1 7   ? 21.284 -19.657 0.725  1.00 27.70 ? 7   VAL A CB  1 
ATOM   44  C  CG1 . VAL A 1 7   ? 21.856 -21.083 0.839  1.00 28.51 ? 7   VAL A CG1 1 
ATOM   45  C  CG2 . VAL A 1 7   ? 20.465 -19.457 -0.541 1.00 27.61 ? 7   VAL A CG2 1 
ATOM   46  N  N   . LEU A 1 8   ? 20.870 -20.302 4.134  1.00 29.22 ? 8   LEU A N   1 
ATOM   47  C  CA  . LEU A 1 8   ? 21.606 -20.495 5.362  1.00 30.37 ? 8   LEU A CA  1 
ATOM   48  C  C   . LEU A 1 8   ? 22.601 -21.605 5.164  1.00 31.42 ? 8   LEU A C   1 
ATOM   49  O  O   . LEU A 1 8   ? 22.237 -22.737 4.832  1.00 31.76 ? 8   LEU A O   1 
ATOM   50  C  CB  . LEU A 1 8   ? 20.689 -20.877 6.522  1.00 30.69 ? 8   LEU A CB  1 
ATOM   51  C  CG  . LEU A 1 8   ? 19.566 -19.919 6.907  1.00 29.95 ? 8   LEU A CG  1 
ATOM   52  C  CD1 . LEU A 1 8   ? 18.689 -20.613 7.929  1.00 30.14 ? 8   LEU A CD1 1 
ATOM   53  C  CD2 . LEU A 1 8   ? 20.081 -18.597 7.440  1.00 30.95 ? 8   LEU A CD2 1 
ATOM   54  N  N   . LYS A 1 9   ? 23.864 -21.281 5.361  1.00 32.38 ? 9   LYS A N   1 
ATOM   55  C  CA  . LYS A 1 9   ? 24.881 -22.309 5.425  1.00 33.78 ? 9   LYS A CA  1 
ATOM   56  C  C   . LYS A 1 9   ? 25.648 -22.156 6.739  1.00 34.36 ? 9   LYS A C   1 
ATOM   57  O  O   . LYS A 1 9   ? 25.829 -21.044 7.259  1.00 34.34 ? 9   LYS A O   1 
ATOM   58  C  CB  . LYS A 1 9   ? 25.813 -22.309 4.194  1.00 33.98 ? 9   LYS A CB  1 
ATOM   59  C  CG  . LYS A 1 9   ? 26.175 -20.947 3.588  1.00 35.40 ? 9   LYS A CG  1 
ATOM   60  C  CD  . LYS A 1 9   ? 26.659 -21.117 2.140  1.00 36.94 ? 9   LYS A CD  1 
ATOM   61  C  CE  . LYS A 1 9   ? 26.519 -19.839 1.333  1.00 38.15 ? 9   LYS A CE  1 
ATOM   62  N  NZ  . LYS A 1 9   ? 27.438 -18.786 1.811  1.00 39.30 ? 9   LYS A NZ  1 
ATOM   63  N  N   . GLY A 1 10  ? 26.071 -23.294 7.278  1.00 34.96 ? 10  GLY A N   1 
ATOM   64  C  CA  . GLY A 1 10  ? 26.767 -23.335 8.543  1.00 35.31 ? 10  GLY A CA  1 
ATOM   65  C  C   . GLY A 1 10  ? 28.092 -24.028 8.395  1.00 35.62 ? 10  GLY A C   1 
ATOM   66  O  O   . GLY A 1 10  ? 28.550 -24.313 7.288  1.00 35.19 ? 10  GLY A O   1 
ATOM   67  N  N   . ASP A 1 11  ? 28.702 -24.292 9.544  1.00 36.21 ? 11  ASP A N   1 
ATOM   68  C  CA  . ASP A 1 11  ? 29.961 -25.005 9.621  1.00 36.02 ? 11  ASP A CA  1 
ATOM   69  C  C   . ASP A 1 11  ? 29.670 -26.500 9.605  1.00 36.70 ? 11  ASP A C   1 
ATOM   70  O  O   . ASP A 1 11  ? 30.389 -27.275 8.961  1.00 36.94 ? 11  ASP A O   1 
ATOM   71  C  CB  . ASP A 1 11  ? 30.685 -24.627 10.913 1.00 35.89 ? 11  ASP A CB  1 
ATOM   72  C  CG  . ASP A 1 11  ? 31.864 -25.506 11.186 1.00 34.26 ? 11  ASP A CG  1 
ATOM   73  O  OD1 . ASP A 1 11  ? 32.954 -25.200 10.674 1.00 33.02 ? 11  ASP A OD1 1 
ATOM   74  O  OD2 . ASP A 1 11  ? 31.699 -26.506 11.907 1.00 32.59 ? 11  ASP A OD2 1 
ATOM   75  N  N   . GLY A 1 12  ? 28.629 -26.889 10.346 1.00 37.03 ? 12  GLY A N   1 
ATOM   76  C  CA  . GLY A 1 12  ? 28.189 -28.275 10.442 1.00 37.18 ? 12  GLY A CA  1 
ATOM   77  C  C   . GLY A 1 12  ? 26.999 -28.498 9.529  1.00 37.48 ? 12  GLY A C   1 
ATOM   78  O  O   . GLY A 1 12  ? 26.903 -27.862 8.485  1.00 37.71 ? 12  GLY A O   1 
ATOM   79  N  N   . PRO A 1 13  ? 26.069 -29.378 9.929  1.00 37.65 ? 13  PRO A N   1 
ATOM   80  C  CA  . PRO A 1 13  ? 25.000 -29.827 9.033  1.00 37.56 ? 13  PRO A CA  1 
ATOM   81  C  C   . PRO A 1 13  ? 23.840 -28.842 8.838  1.00 37.32 ? 13  PRO A C   1 
ATOM   82  O  O   . PRO A 1 13  ? 22.965 -29.092 7.991  1.00 37.22 ? 13  PRO A O   1 
ATOM   83  C  CB  . PRO A 1 13  ? 24.492 -31.090 9.723  1.00 37.92 ? 13  PRO A CB  1 
ATOM   84  C  CG  . PRO A 1 13  ? 24.720 -30.827 11.203 1.00 38.06 ? 13  PRO A CG  1 
ATOM   85  C  CD  . PRO A 1 13  ? 25.924 -29.922 11.297 1.00 37.74 ? 13  PRO A CD  1 
ATOM   86  N  N   . VAL A 1 14  ? 23.823 -27.750 9.603  1.00 36.90 ? 14  VAL A N   1 
ATOM   87  C  CA  . VAL A 1 14  ? 22.732 -26.785 9.512  1.00 36.72 ? 14  VAL A CA  1 
ATOM   88  C  C   . VAL A 1 14  ? 22.725 -26.042 8.168  1.00 36.46 ? 14  VAL A C   1 
ATOM   89  O  O   . VAL A 1 14  ? 23.697 -25.370 7.820  1.00 36.51 ? 14  VAL A O   1 
ATOM   90  C  CB  . VAL A 1 14  ? 22.754 -25.746 10.670 1.00 36.92 ? 14  VAL A CB  1 
ATOM   91  C  CG1 . VAL A 1 14  ? 21.631 -24.718 10.479 1.00 35.82 ? 14  VAL A CG1 1 
ATOM   92  C  CG2 . VAL A 1 14  ? 22.622 -26.446 12.027 1.00 36.63 ? 14  VAL A CG2 1 
ATOM   93  N  N   . GLN A 1 15  ? 21.630 -26.188 7.421  1.00 35.99 ? 15  GLN A N   1 
ATOM   94  C  CA  . GLN A 1 15  ? 21.425 -25.449 6.179  1.00 35.87 ? 15  GLN A CA  1 
ATOM   95  C  C   . GLN A 1 15  ? 19.935 -25.340 5.879  1.00 34.95 ? 15  GLN A C   1 
ATOM   96  O  O   . GLN A 1 15  ? 19.141 -26.085 6.439  1.00 34.90 ? 15  GLN A O   1 
ATOM   97  C  CB  . GLN A 1 15  ? 22.169 -26.105 5.002  1.00 35.93 ? 15  GLN A CB  1 
ATOM   98  C  CG  . GLN A 1 15  ? 21.401 -27.213 4.269  1.00 37.40 ? 15  GLN A CG  1 
ATOM   99  C  CD  . GLN A 1 15  ? 20.727 -26.763 2.944  1.00 39.08 ? 15  GLN A CD  1 
ATOM   100 O  OE1 . GLN A 1 15  ? 21.411 -26.495 1.949  1.00 41.35 ? 15  GLN A OE1 1 
ATOM   101 N  NE2 . GLN A 1 15  ? 19.386 -26.731 2.921  1.00 38.25 ? 15  GLN A NE2 1 
ATOM   102 N  N   . GLY A 1 16  ? 19.575 -24.399 5.005  1.00 33.97 ? 16  GLY A N   1 
ATOM   103 C  CA  . GLY A 1 16  ? 18.187 -24.191 4.615  1.00 33.16 ? 16  GLY A CA  1 
ATOM   104 C  C   . GLY A 1 16  ? 17.989 -22.917 3.817  1.00 32.61 ? 16  GLY A C   1 
ATOM   105 O  O   . GLY A 1 16  ? 18.877 -22.062 3.761  1.00 32.27 ? 16  GLY A O   1 
ATOM   106 N  N   . ILE A 1 17  ? 16.802 -22.800 3.215  1.00 31.55 ? 17  ILE A N   1 
ATOM   107 C  CA  . ILE A 1 17  ? 16.429 -21.684 2.337  1.00 30.46 ? 17  ILE A CA  1 
ATOM   108 C  C   . ILE A 1 17  ? 15.281 -20.937 2.981  1.00 29.07 ? 17  ILE A C   1 
ATOM   109 O  O   . ILE A 1 17  ? 14.320 -21.546 3.415  1.00 28.33 ? 17  ILE A O   1 
ATOM   110 C  CB  . ILE A 1 17  ? 15.936 -22.179 0.953  1.00 30.96 ? 17  ILE A CB  1 
ATOM   111 C  CG1 . ILE A 1 17  ? 16.935 -23.182 0.327  1.00 33.29 ? 17  ILE A CG1 1 
ATOM   112 C  CG2 . ILE A 1 17  ? 15.628 -20.991 0.016  1.00 28.65 ? 17  ILE A CG2 1 
ATOM   113 C  CD1 . ILE A 1 17  ? 18.403 -22.621 0.075  1.00 36.45 ? 17  ILE A CD1 1 
ATOM   114 N  N   . ILE A 1 18  ? 15.379 -19.619 3.051  1.00 27.72 ? 18  ILE A N   1 
ATOM   115 C  CA  . ILE A 1 18  ? 14.303 -18.832 3.639  1.00 27.10 ? 18  ILE A CA  1 
ATOM   116 C  C   . ILE A 1 18  ? 13.811 -17.799 2.650  1.00 26.48 ? 18  ILE A C   1 
ATOM   117 O  O   . ILE A 1 18  ? 14.608 -17.021 2.112  1.00 26.82 ? 18  ILE A O   1 
ATOM   118 C  CB  . ILE A 1 18  ? 14.743 -18.147 4.960  1.00 27.14 ? 18  ILE A CB  1 
ATOM   119 C  CG1 . ILE A 1 18  ? 15.221 -19.221 5.970  1.00 27.36 ? 18  ILE A CG1 1 
ATOM   120 C  CG2 . ILE A 1 18  ? 13.575 -17.285 5.544  1.00 25.12 ? 18  ILE A CG2 1 
ATOM   121 C  CD1 . ILE A 1 18  ? 14.135 -20.221 6.377  1.00 29.23 ? 18  ILE A CD1 1 
ATOM   122 N  N   . ASN A 1 19  ? 12.500 -17.778 2.428  1.00 25.63 ? 19  ASN A N   1 
ATOM   123 C  CA  . ASN A 1 19  ? 11.873 -16.798 1.552  1.00 25.34 ? 19  ASN A CA  1 
ATOM   124 C  C   . ASN A 1 19  ? 11.237 -15.648 2.323  1.00 25.64 ? 19  ASN A C   1 
ATOM   125 O  O   . ASN A 1 19  ? 10.813 -15.819 3.468  1.00 25.60 ? 19  ASN A O   1 
ATOM   126 C  CB  . ASN A 1 19  ? 10.805 -17.452 0.707  1.00 25.30 ? 19  ASN A CB  1 
ATOM   127 C  CG  . ASN A 1 19  ? 11.364 -18.089 -0.509 1.00 25.49 ? 19  ASN A CG  1 
ATOM   128 O  OD1 . ASN A 1 19  ? 11.944 -19.163 -0.417 1.00 26.69 ? 19  ASN A OD1 1 
ATOM   129 N  ND2 . ASN A 1 19  ? 11.185 -17.442 -1.680 1.00 20.89 ? 19  ASN A ND2 1 
ATOM   130 N  N   . PHE A 1 20  ? 11.174 -14.476 1.690  1.00 25.04 ? 20  PHE A N   1 
ATOM   131 C  CA  . PHE A 1 20  ? 10.521 -13.293 2.299  1.00 24.92 ? 20  PHE A CA  1 
ATOM   132 C  C   . PHE A 1 20  ? 9.737  -12.630 1.213  1.00 24.62 ? 20  PHE A C   1 
ATOM   133 O  O   . PHE A 1 20  ? 10.245 -12.433 0.128  1.00 24.64 ? 20  PHE A O   1 
ATOM   134 C  CB  . PHE A 1 20  ? 11.499 -12.227 2.810  1.00 25.20 ? 20  PHE A CB  1 
ATOM   135 C  CG  . PHE A 1 20  ? 12.545 -12.729 3.774  1.00 24.45 ? 20  PHE A CG  1 
ATOM   136 C  CD1 . PHE A 1 20  ? 13.617 -13.480 3.321  1.00 25.30 ? 20  PHE A CD1 1 
ATOM   137 C  CD2 . PHE A 1 20  ? 12.500 -12.358 5.111  1.00 24.76 ? 20  PHE A CD2 1 
ATOM   138 C  CE1 . PHE A 1 20  ? 14.581 -13.938 4.208  1.00 27.74 ? 20  PHE A CE1 1 
ATOM   139 C  CE2 . PHE A 1 20  ? 13.455 -12.790 6.002  1.00 25.58 ? 20  PHE A CE2 1 
ATOM   140 C  CZ  . PHE A 1 20  ? 14.500 -13.593 5.557  1.00 26.92 ? 20  PHE A CZ  1 
ATOM   141 N  N   . GLU A 1 21  ? 8.508  -12.281 1.514  1.00 25.45 ? 21  GLU A N   1 
ATOM   142 C  CA  . GLU A 1 21  ? 7.652  -11.558 0.594  1.00 25.97 ? 21  GLU A CA  1 
ATOM   143 C  C   . GLU A 1 21  ? 6.906  -10.500 1.376  1.00 25.85 ? 21  GLU A C   1 
ATOM   144 O  O   . GLU A 1 21  ? 6.509  -10.735 2.501  1.00 25.88 ? 21  GLU A O   1 
ATOM   145 C  CB  . GLU A 1 21  ? 6.647  -12.511 -0.051 1.00 26.48 ? 21  GLU A CB  1 
ATOM   146 C  CG  . GLU A 1 21  ? 6.001  -11.998 -1.344 1.00 28.72 ? 21  GLU A CG  1 
ATOM   147 C  CD  . GLU A 1 21  ? 4.747  -12.770 -1.749 1.00 32.24 ? 21  GLU A CD  1 
ATOM   148 O  OE1 . GLU A 1 21  ? 4.185  -13.574 -0.937 1.00 36.17 ? 21  GLU A OE1 1 
ATOM   149 O  OE2 . GLU A 1 21  ? 4.298  -12.538 -2.884 1.00 34.23 ? 21  GLU A OE2 1 
ATOM   150 N  N   . GLN A 1 22  ? 6.701  -9.348  0.755  1.00 26.45 ? 22  GLN A N   1 
ATOM   151 C  CA  . GLN A 1 22  ? 5.998  -8.247  1.356  1.00 26.89 ? 22  GLN A CA  1 
ATOM   152 C  C   . GLN A 1 22  ? 5.177  -7.596  0.231  1.00 27.59 ? 22  GLN A C   1 
ATOM   153 O  O   . GLN A 1 22  ? 5.748  -7.111  -0.735 1.00 26.88 ? 22  GLN A O   1 
ATOM   154 C  CB  . GLN A 1 22  ? 7.047  -7.301  1.966  1.00 27.00 ? 22  GLN A CB  1 
ATOM   155 C  CG  . GLN A 1 22  ? 6.544  -5.945  2.437  1.00 26.39 ? 22  GLN A CG  1 
ATOM   156 C  CD  . GLN A 1 22  ? 7.647  -5.087  3.072  1.00 27.78 ? 22  GLN A CD  1 
ATOM   157 O  OE1 . GLN A 1 22  ? 8.816  -5.145  2.666  1.00 27.57 ? 22  GLN A OE1 1 
ATOM   158 N  NE2 . GLN A 1 22  ? 7.265  -4.260  4.057  1.00 27.54 ? 22  GLN A NE2 1 
ATOM   159 N  N   . LYS A 1 23  ? 3.847  -7.602  0.351  1.00 28.77 ? 23  LYS A N   1 
ATOM   160 C  CA  . LYS A 1 23  ? 2.975  -7.131  -0.729 1.00 30.21 ? 23  LYS A CA  1 
ATOM   161 C  C   . LYS A 1 23  ? 2.921  -5.578  -0.775 1.00 31.00 ? 23  LYS A C   1 
ATOM   162 O  O   . LYS A 1 23  ? 3.020  -4.982  -1.846 1.00 31.35 ? 23  LYS A O   1 
ATOM   163 C  CB  . LYS A 1 23  ? 1.547  -7.691  -0.569 1.00 30.85 ? 23  LYS A CB  1 
ATOM   164 C  CG  . LYS A 1 23  ? 1.415  -9.217  -0.298 1.00 33.11 ? 23  LYS A CG  1 
ATOM   165 C  CD  . LYS A 1 23  ? 0.967  -10.011 -1.550 1.00 35.05 ? 23  LYS A CD  1 
ATOM   166 C  CE  . LYS A 1 23  ? 1.247  -11.531 -1.400 1.00 36.17 ? 23  LYS A CE  1 
ATOM   167 N  NZ  . LYS A 1 23  ? 1.270  -12.254 -2.738 1.00 36.52 ? 23  LYS A NZ  1 
ATOM   168 N  N   . GLU A 1 24  ? 2.722  -4.951  0.388  1.00 31.47 ? 24  GLU A N   1 
ATOM   169 C  CA  . GLU A 1 24  ? 2.730  -3.501  0.553  1.00 32.10 ? 24  GLU A CA  1 
ATOM   170 C  C   . GLU A 1 24  ? 4.036  -3.109  1.237  1.00 32.44 ? 24  GLU A C   1 
ATOM   171 O  O   . GLU A 1 24  ? 4.533  -3.818  2.097  1.00 31.75 ? 24  GLU A O   1 
ATOM   172 C  CB  . GLU A 1 24  ? 1.603  -3.027  1.505  1.00 32.47 ? 24  GLU A CB  1 
ATOM   173 C  CG  . GLU A 1 24  ? 0.120  -3.306  1.173  1.00 33.14 ? 24  GLU A CG  1 
ATOM   174 C  CD  . GLU A 1 24  ? -0.816 -2.866  2.352  1.00 35.35 ? 24  GLU A CD  1 
ATOM   175 O  OE1 . GLU A 1 24  ? -1.741 -2.018  2.139  1.00 34.53 ? 24  GLU A OE1 1 
ATOM   176 O  OE2 . GLU A 1 24  ? -0.606 -3.358  3.502  1.00 33.72 ? 24  GLU A OE2 1 
ATOM   177 N  N   . SER A 1 25  ? 4.533  -1.923  0.939  1.00 33.30 ? 25  SER A N   1 
ATOM   178 C  CA  . SER A 1 25  ? 5.759  -1.429  1.568  1.00 34.08 ? 25  SER A CA  1 
ATOM   179 C  C   . SER A 1 25  ? 5.629  -1.182  3.098  1.00 34.19 ? 25  SER A C   1 
ATOM   180 O  O   . SER A 1 25  ? 6.626  -0.942  3.782  1.00 34.37 ? 25  SER A O   1 
ATOM   181 C  CB  . SER A 1 25  ? 6.207  -0.140  0.856  1.00 34.62 ? 25  SER A CB  1 
ATOM   182 O  OG  . SER A 1 25  ? 7.563  -0.233  0.454  1.00 36.35 ? 25  SER A OG  1 
ATOM   183 N  N   . ASN A 1 26  ? 4.411  -1.205  3.633  1.00 34.47 ? 26  ASN A N   1 
ATOM   184 C  CA  . ASN A 1 26  ? 4.203  -1.099  5.096  1.00 34.54 ? 26  ASN A CA  1 
ATOM   185 C  C   . ASN A 1 26  ? 3.482  -2.312  5.692  1.00 34.00 ? 26  ASN A C   1 
ATOM   186 O  O   . ASN A 1 26  ? 3.336  -2.422  6.921  1.00 34.16 ? 26  ASN A O   1 
ATOM   187 C  CB  . ASN A 1 26  ? 3.478  0.215   5.498  1.00 34.75 ? 26  ASN A CB  1 
ATOM   188 C  CG  . ASN A 1 26  ? 2.380  0.631   4.515  1.00 35.89 ? 26  ASN A CG  1 
ATOM   189 O  OD1 . ASN A 1 26  ? 1.361  -0.054  4.355  1.00 37.63 ? 26  ASN A OD1 1 
ATOM   190 N  ND2 . ASN A 1 26  ? 2.578  1.778   3.870  1.00 35.62 ? 26  ASN A ND2 1 
ATOM   191 N  N   . GLY A 1 27  ? 3.054  -3.232  4.833  1.00 32.83 ? 27  GLY A N   1 
ATOM   192 C  CA  . GLY A 1 27  ? 2.381  -4.423  5.296  1.00 31.96 ? 27  GLY A CA  1 
ATOM   193 C  C   . GLY A 1 27  ? 3.375  -5.405  5.884  1.00 31.07 ? 27  GLY A C   1 
ATOM   194 O  O   . GLY A 1 27  ? 4.587  -5.155  5.874  1.00 30.35 ? 27  GLY A O   1 
ATOM   195 N  N   . PRO A 1 28  ? 2.862  -6.536  6.402  1.00 30.39 ? 28  PRO A N   1 
ATOM   196 C  CA  . PRO A 1 28  ? 3.722  -7.601  6.947  1.00 29.51 ? 28  PRO A CA  1 
ATOM   197 C  C   . PRO A 1 28  ? 4.632  -8.193  5.895  1.00 28.38 ? 28  PRO A C   1 
ATOM   198 O  O   . PRO A 1 28  ? 4.323  -8.121  4.720  1.00 28.58 ? 28  PRO A O   1 
ATOM   199 C  CB  . PRO A 1 28  ? 2.729  -8.665  7.420  1.00 29.56 ? 28  PRO A CB  1 
ATOM   200 C  CG  . PRO A 1 28  ? 1.463  -8.386  6.644  1.00 30.53 ? 28  PRO A CG  1 
ATOM   201 C  CD  . PRO A 1 28  ? 1.429  -6.898  6.436  1.00 30.00 ? 28  PRO A CD  1 
ATOM   202 N  N   . VAL A 1 29  ? 5.746  -8.742  6.341  1.00 27.56 ? 29  VAL A N   1 
ATOM   203 C  CA  . VAL A 1 29  ? 6.646  -9.519  5.520  1.00 27.65 ? 29  VAL A CA  1 
ATOM   204 C  C   . VAL A 1 29  ? 6.372  -10.958 5.872  1.00 27.48 ? 29  VAL A C   1 
ATOM   205 O  O   . VAL A 1 29  ? 6.533  -11.332 7.031  1.00 28.45 ? 29  VAL A O   1 
ATOM   206 C  CB  . VAL A 1 29  ? 8.115  -9.224  5.853  1.00 27.07 ? 29  VAL A CB  1 
ATOM   207 C  CG1 . VAL A 1 29  ? 9.008  -10.247 5.240  1.00 27.83 ? 29  VAL A CG1 1 
ATOM   208 C  CG2 . VAL A 1 29  ? 8.520  -7.813  5.378  1.00 27.49 ? 29  VAL A CG2 1 
ATOM   209 N  N   . LYS A 1 30  ? 5.938  -11.754 4.902  1.00 26.80 ? 30  LYS A N   1 
ATOM   210 C  CA  . LYS A 1 30  ? 5.791  -13.194 5.110  1.00 26.63 ? 30  LYS A CA  1 
ATOM   211 C  C   . LYS A 1 30  ? 7.161  -13.843 5.017  1.00 25.75 ? 30  LYS A C   1 
ATOM   212 O  O   . LYS A 1 30  ? 7.997  -13.421 4.203  1.00 25.29 ? 30  LYS A O   1 
ATOM   213 C  CB  . LYS A 1 30  ? 4.838  -13.822 4.092  1.00 27.13 ? 30  LYS A CB  1 
ATOM   214 C  CG  . LYS A 1 30  ? 3.340  -13.529 4.327  1.00 29.40 ? 30  LYS A CG  1 
ATOM   215 C  CD  . LYS A 1 30  ? 2.449  -14.466 3.441  1.00 32.05 ? 30  LYS A CD  1 
ATOM   216 C  CE  . LYS A 1 30  ? 0.935  -14.073 3.480  1.00 32.60 ? 30  LYS A CE  1 
ATOM   217 N  NZ  . LYS A 1 30  ? 0.231  -14.583 4.697  1.00 32.05 ? 30  LYS A NZ  1 
ATOM   218 N  N   . VAL A 1 31  ? 7.394  -14.838 5.871  1.00 24.47 ? 31  VAL A N   1 
ATOM   219 C  CA  . VAL A 1 31  ? 8.680  -15.525 5.956  1.00 23.82 ? 31  VAL A CA  1 
ATOM   220 C  C   . VAL A 1 31  ? 8.460  -17.036 5.981  1.00 23.97 ? 31  VAL A C   1 
ATOM   221 O  O   . VAL A 1 31  ? 7.724  -17.532 6.816  1.00 24.02 ? 31  VAL A O   1 
ATOM   222 C  CB  . VAL A 1 31  ? 9.463  -15.102 7.225  1.00 24.33 ? 31  VAL A CB  1 
ATOM   223 C  CG1 . VAL A 1 31  ? 10.811 -15.826 7.285  1.00 22.39 ? 31  VAL A CG1 1 
ATOM   224 C  CG2 . VAL A 1 31  ? 9.658  -13.570 7.252  1.00 22.78 ? 31  VAL A CG2 1 
ATOM   225 N  N   . TRP A 1 32  ? 9.083  -17.782 5.080  1.00 23.43 ? 32  TRP A N   1 
ATOM   226 C  CA  . TRP A 1 32  ? 8.929  -19.231 5.133  1.00 22.80 ? 32  TRP A CA  1 
ATOM   227 C  C   . TRP A 1 32  ? 10.168 -19.963 4.637  1.00 23.29 ? 32  TRP A C   1 
ATOM   228 O  O   . TRP A 1 32  ? 11.067 -19.362 4.031  1.00 23.54 ? 32  TRP A O   1 
ATOM   229 C  CB  . TRP A 1 32  ? 7.685  -19.677 4.361  1.00 22.48 ? 32  TRP A CB  1 
ATOM   230 C  CG  . TRP A 1 32  ? 7.771  -19.559 2.845  1.00 20.54 ? 32  TRP A CG  1 
ATOM   231 C  CD1 . TRP A 1 32  ? 7.986  -20.572 1.967  1.00 20.69 ? 32  TRP A CD1 1 
ATOM   232 C  CD2 . TRP A 1 32  ? 7.624  -18.376 2.050  1.00 19.72 ? 32  TRP A CD2 1 
ATOM   233 N  NE1 . TRP A 1 32  ? 8.000  -20.104 0.684  1.00 18.79 ? 32  TRP A NE1 1 
ATOM   234 C  CE2 . TRP A 1 32  ? 7.757  -18.757 0.702  1.00 19.07 ? 32  TRP A CE2 1 
ATOM   235 C  CE3 . TRP A 1 32  ? 7.390  -17.024 2.345  1.00 21.02 ? 32  TRP A CE3 1 
ATOM   236 C  CZ2 . TRP A 1 32  ? 7.668  -17.837 -0.363 1.00 15.96 ? 32  TRP A CZ2 1 
ATOM   237 C  CZ3 . TRP A 1 32  ? 7.301  -16.114 1.284  1.00 19.72 ? 32  TRP A CZ3 1 
ATOM   238 C  CH2 . TRP A 1 32  ? 7.423  -16.532 -0.055 1.00 15.53 ? 32  TRP A CH2 1 
ATOM   239 N  N   . GLY A 1 33  ? 10.215 -21.254 4.933  1.00 22.62 ? 33  GLY A N   1 
ATOM   240 C  CA  . GLY A 1 33  ? 11.288 -22.113 4.485  1.00 23.44 ? 33  GLY A CA  1 
ATOM   241 C  C   . GLY A 1 33  ? 11.399 -23.301 5.410  1.00 24.45 ? 33  GLY A C   1 
ATOM   242 O  O   . GLY A 1 33  ? 10.555 -23.517 6.278  1.00 24.26 ? 33  GLY A O   1 
ATOM   243 N  N   . SER A 1 34  ? 12.440 -24.084 5.222  1.00 25.66 ? 34  SER A N   1 
ATOM   244 C  CA  . SER A 1 34  ? 12.805 -25.088 6.193  1.00 26.90 ? 34  SER A CA  1 
ATOM   245 C  C   . SER A 1 34  ? 14.309 -25.040 6.436  1.00 27.24 ? 34  SER A C   1 
ATOM   246 O  O   . SER A 1 34  ? 15.080 -24.613 5.573  1.00 27.16 ? 34  SER A O   1 
ATOM   247 C  CB  . SER A 1 34  ? 12.357 -26.479 5.744  1.00 27.33 ? 34  SER A CB  1 
ATOM   248 O  OG  . SER A 1 34  ? 12.634 -26.689 4.372  1.00 29.79 ? 34  SER A OG  1 
ATOM   249 N  N   . ILE A 1 35  ? 14.696 -25.457 7.636  1.00 27.32 ? 35  ILE A N   1 
ATOM   250 C  CA  . ILE A 1 35  ? 16.075 -25.509 8.052  1.00 27.59 ? 35  ILE A CA  1 
ATOM   251 C  C   . ILE A 1 35  ? 16.289 -26.919 8.575  1.00 27.91 ? 35  ILE A C   1 
ATOM   252 O  O   . ILE A 1 35  ? 15.453 -27.407 9.313  1.00 28.23 ? 35  ILE A O   1 
ATOM   253 C  CB  . ILE A 1 35  ? 16.375 -24.497 9.178  1.00 27.06 ? 35  ILE A CB  1 
ATOM   254 C  CG1 . ILE A 1 35  ? 15.818 -23.127 8.806  1.00 26.80 ? 35  ILE A CG1 1 
ATOM   255 C  CG2 . ILE A 1 35  ? 17.878 -24.422 9.436  1.00 26.81 ? 35  ILE A CG2 1 
ATOM   256 C  CD1 . ILE A 1 35  ? 16.435 -21.972 9.585  1.00 26.40 ? 35  ILE A CD1 1 
ATOM   257 N  N   . LYS A 1 36  ? 17.413 -27.531 8.214  1.00 27.73 ? 36  LYS A N   1 
ATOM   258 C  CA  . LYS A 1 36  ? 17.673 -28.935 8.476  1.00 28.48 ? 36  LYS A CA  1 
ATOM   259 C  C   . LYS A 1 36  ? 18.966 -29.065 9.273  1.00 28.91 ? 36  LYS A C   1 
ATOM   260 O  O   . LYS A 1 36  ? 19.759 -28.118 9.329  1.00 28.92 ? 36  LYS A O   1 
ATOM   261 C  CB  . LYS A 1 36  ? 17.810 -29.678 7.140  1.00 28.68 ? 36  LYS A CB  1 
ATOM   262 C  CG  . LYS A 1 36  ? 16.598 -29.458 6.167  1.00 29.90 ? 36  LYS A CG  1 
ATOM   263 C  CD  . LYS A 1 36  ? 17.023 -29.297 4.684  1.00 32.35 ? 36  LYS A CD  1 
ATOM   264 C  CE  . LYS A 1 36  ? 16.088 -28.396 3.862  1.00 32.57 ? 36  LYS A CE  1 
ATOM   265 N  NZ  . LYS A 1 36  ? 16.310 -28.556 2.378  1.00 32.47 ? 36  LYS A NZ  1 
ATOM   266 N  N   . GLY A 1 37  ? 19.187 -30.241 9.868  1.00 29.33 ? 37  GLY A N   1 
ATOM   267 C  CA  . GLY A 1 37  ? 20.412 -30.526 10.624 1.00 29.05 ? 37  GLY A CA  1 
ATOM   268 C  C   . GLY A 1 37  ? 20.497 -29.793 11.965 1.00 29.12 ? 37  GLY A C   1 
ATOM   269 O  O   . GLY A 1 37  ? 21.594 -29.567 12.481 1.00 28.77 ? 37  GLY A O   1 
ATOM   270 N  N   . LEU A 1 38  ? 19.338 -29.420 12.522 1.00 28.78 ? 38  LEU A N   1 
ATOM   271 C  CA  . LEU A 1 38  ? 19.254 -28.788 13.852 1.00 28.31 ? 38  LEU A CA  1 
ATOM   272 C  C   . LEU A 1 38  ? 19.031 -29.833 14.968 1.00 27.98 ? 38  LEU A C   1 
ATOM   273 O  O   . LEU A 1 38  ? 18.685 -30.996 14.699 1.00 28.55 ? 38  LEU A O   1 
ATOM   274 C  CB  . LEU A 1 38  ? 18.124 -27.754 13.850 1.00 28.02 ? 38  LEU A CB  1 
ATOM   275 C  CG  . LEU A 1 38  ? 18.316 -26.528 12.941 1.00 27.12 ? 38  LEU A CG  1 
ATOM   276 C  CD1 . LEU A 1 38  ? 16.961 -25.837 12.661 1.00 27.10 ? 38  LEU A CD1 1 
ATOM   277 C  CD2 . LEU A 1 38  ? 19.309 -25.511 13.523 1.00 25.56 ? 38  LEU A CD2 1 
ATOM   278 N  N   . THR A 1 39  ? 19.263 -29.426 16.215 1.00 27.24 ? 39  THR A N   1 
ATOM   279 C  CA  . THR A 1 39  ? 18.906 -30.229 17.374 1.00 26.51 ? 39  THR A CA  1 
ATOM   280 C  C   . THR A 1 39  ? 17.417 -29.963 17.696 1.00 26.37 ? 39  THR A C   1 
ATOM   281 O  O   . THR A 1 39  ? 16.907 -28.881 17.430 1.00 25.78 ? 39  THR A O   1 
ATOM   282 C  CB  . THR A 1 39  ? 19.787 -29.878 18.595 1.00 26.70 ? 39  THR A CB  1 
ATOM   283 O  OG1 . THR A 1 39  ? 19.540 -28.525 19.002 1.00 26.58 ? 39  THR A OG1 1 
ATOM   284 C  CG2 . THR A 1 39  ? 21.273 -30.031 18.265 1.00 26.47 ? 39  THR A CG2 1 
ATOM   285 N  N   . GLU A 1 40  ? 16.725 -30.949 18.252 1.00 26.00 ? 40  GLU A N   1 
ATOM   286 C  CA  . GLU A 1 40  ? 15.291 -30.819 18.519 1.00 26.53 ? 40  GLU A CA  1 
ATOM   287 C  C   . GLU A 1 40  ? 15.062 -29.675 19.476 1.00 26.00 ? 40  GLU A C   1 
ATOM   288 O  O   . GLU A 1 40  ? 15.782 -29.576 20.479 1.00 26.51 ? 40  GLU A O   1 
ATOM   289 C  CB  . GLU A 1 40  ? 14.674 -32.105 19.137 1.00 26.67 ? 40  GLU A CB  1 
ATOM   290 C  CG  . GLU A 1 40  ? 13.124 -32.041 19.231 1.00 27.54 ? 40  GLU A CG  1 
ATOM   291 C  CD  . GLU A 1 40  ? 12.492 -33.253 19.928 1.00 30.94 ? 40  GLU A CD  1 
ATOM   292 O  OE1 . GLU A 1 40  ? 13.175 -33.946 20.723 1.00 33.80 ? 40  GLU A OE1 1 
ATOM   293 O  OE2 . GLU A 1 40  ? 11.286 -33.507 19.701 1.00 32.48 ? 40  GLU A OE2 1 
ATOM   294 N  N   . GLY A 1 41  ? 14.066 -28.839 19.179 1.00 24.81 ? 41  GLY A N   1 
ATOM   295 C  CA  . GLY A 1 41  ? 13.673 -27.759 20.081 1.00 24.74 ? 41  GLY A CA  1 
ATOM   296 C  C   . GLY A 1 41  ? 13.753 -26.386 19.444 1.00 24.29 ? 41  GLY A C   1 
ATOM   297 O  O   . GLY A 1 41  ? 13.848 -26.270 18.223 1.00 24.73 ? 41  GLY A O   1 
ATOM   298 N  N   . LEU A 1 42  ? 13.698 -25.349 20.271 1.00 23.45 ? 42  LEU A N   1 
ATOM   299 C  CA  . LEU A 1 42  ? 13.666 -23.982 19.796 1.00 23.79 ? 42  LEU A CA  1 
ATOM   300 C  C   . LEU A 1 42  ? 15.067 -23.478 19.480 1.00 23.81 ? 42  LEU A C   1 
ATOM   301 O  O   . LEU A 1 42  ? 15.987 -23.791 20.210 1.00 23.82 ? 42  LEU A O   1 
ATOM   302 C  CB  . LEU A 1 42  ? 13.044 -23.069 20.841 1.00 24.05 ? 42  LEU A CB  1 
ATOM   303 C  CG  . LEU A 1 42  ? 11.559 -23.198 21.157 1.00 24.27 ? 42  LEU A CG  1 
ATOM   304 C  CD1 . LEU A 1 42  ? 11.227 -22.183 22.262 1.00 23.22 ? 42  LEU A CD1 1 
ATOM   305 C  CD2 . LEU A 1 42  ? 10.682 -22.995 19.939 1.00 22.38 ? 42  LEU A CD2 1 
ATOM   306 N  N   . HIS A 1 43  ? 15.203 -22.680 18.416 1.00 24.05 ? 43  HIS A N   1 
ATOM   307 C  CA  . HIS A 1 43  ? 16.503 -22.075 18.016 1.00 24.27 ? 43  HIS A CA  1 
ATOM   308 C  C   . HIS A 1 43  ? 16.337 -20.614 17.638 1.00 23.89 ? 43  HIS A C   1 
ATOM   309 O  O   . HIS A 1 43  ? 15.506 -20.288 16.785 1.00 24.79 ? 43  HIS A O   1 
ATOM   310 C  CB  . HIS A 1 43  ? 17.118 -22.845 16.846 1.00 24.55 ? 43  HIS A CB  1 
ATOM   311 C  CG  . HIS A 1 43  ? 17.651 -24.184 17.234 1.00 24.37 ? 43  HIS A CG  1 
ATOM   312 N  ND1 . HIS A 1 43  ? 18.970 -24.387 17.561 1.00 28.22 ? 43  HIS A ND1 1 
ATOM   313 C  CD2 . HIS A 1 43  ? 17.043 -25.388 17.361 1.00 26.25 ? 43  HIS A CD2 1 
ATOM   314 C  CE1 . HIS A 1 43  ? 19.156 -25.662 17.876 1.00 27.47 ? 43  HIS A CE1 1 
ATOM   315 N  NE2 . HIS A 1 43  ? 18.002 -26.291 17.764 1.00 25.47 ? 43  HIS A NE2 1 
ATOM   316 N  N   . GLY A 1 44  ? 17.111 -19.738 18.286 1.00 23.32 ? 44  GLY A N   1 
ATOM   317 C  CA  . GLY A 1 44  ? 17.073 -18.305 18.017 1.00 22.43 ? 44  GLY A CA  1 
ATOM   318 C  C   . GLY A 1 44  ? 17.170 -17.970 16.533 1.00 23.09 ? 44  GLY A C   1 
ATOM   319 O  O   . GLY A 1 44  ? 18.056 -18.475 15.823 1.00 20.89 ? 44  GLY A O   1 
ATOM   320 N  N   . PHE A 1 45  ? 16.259 -17.095 16.070 1.00 23.11 ? 45  PHE A N   1 
ATOM   321 C  CA  . PHE A 1 45  ? 16.131 -16.757 14.644 1.00 23.72 ? 45  PHE A CA  1 
ATOM   322 C  C   . PHE A 1 45  ? 16.216 -15.246 14.510 1.00 25.05 ? 45  PHE A C   1 
ATOM   323 O  O   . PHE A 1 45  ? 15.233 -14.543 14.760 1.00 25.05 ? 45  PHE A O   1 
ATOM   324 C  CB  . PHE A 1 45  ? 14.778 -17.250 14.120 1.00 23.54 ? 45  PHE A CB  1 
ATOM   325 C  CG  . PHE A 1 45  ? 14.676 -17.383 12.622 1.00 22.33 ? 45  PHE A CG  1 
ATOM   326 C  CD1 . PHE A 1 45  ? 15.751 -17.799 11.855 1.00 22.49 ? 45  PHE A CD1 1 
ATOM   327 C  CD2 . PHE A 1 45  ? 13.455 -17.186 11.996 1.00 21.45 ? 45  PHE A CD2 1 
ATOM   328 C  CE1 . PHE A 1 45  ? 15.628 -17.969 10.505 1.00 23.21 ? 45  PHE A CE1 1 
ATOM   329 C  CE2 . PHE A 1 45  ? 13.326 -17.333 10.641 1.00 23.62 ? 45  PHE A CE2 1 
ATOM   330 C  CZ  . PHE A 1 45  ? 14.423 -17.748 9.891  1.00 24.46 ? 45  PHE A CZ  1 
ATOM   331 N  N   . HIS A 1 46  ? 17.404 -14.753 14.142 1.00 26.24 ? 46  HIS A N   1 
ATOM   332 C  CA  . HIS A 1 46  ? 17.677 -13.346 14.171 1.00 26.88 ? 46  HIS A CA  1 
ATOM   333 C  C   . HIS A 1 46  ? 18.009 -12.791 12.798 1.00 28.75 ? 46  HIS A C   1 
ATOM   334 O  O   . HIS A 1 46  ? 18.328 -13.524 11.880 1.00 27.97 ? 46  HIS A O   1 
ATOM   335 C  CB  . HIS A 1 46  ? 18.864 -13.064 15.088 1.00 27.20 ? 46  HIS A CB  1 
ATOM   336 C  CG  . HIS A 1 46  ? 18.592 -13.329 16.533 1.00 25.28 ? 46  HIS A CG  1 
ATOM   337 N  ND1 . HIS A 1 46  ? 19.593 -13.347 17.473 1.00 21.05 ? 46  HIS A ND1 1 
ATOM   338 C  CD2 . HIS A 1 46  ? 17.433 -13.556 17.201 1.00 23.68 ? 46  HIS A CD2 1 
ATOM   339 C  CE1 . HIS A 1 46  ? 19.068 -13.611 18.658 1.00 23.23 ? 46  HIS A CE1 1 
ATOM   340 N  NE2 . HIS A 1 46  ? 17.758 -13.726 18.523 1.00 24.61 ? 46  HIS A NE2 1 
ATOM   341 N  N   . VAL A 1 47  ? 17.918 -11.469 12.705 1.00 30.80 ? 47  VAL A N   1 
ATOM   342 C  CA  . VAL A 1 47  ? 18.459 -10.698 11.601 1.00 32.24 ? 47  VAL A CA  1 
ATOM   343 C  C   . VAL A 1 47  ? 19.545 -9.783  12.198 1.00 32.96 ? 47  VAL A C   1 
ATOM   344 O  O   . VAL A 1 47  ? 19.229 -8.851  12.927 1.00 31.99 ? 47  VAL A O   1 
ATOM   345 C  CB  . VAL A 1 47  ? 17.352 -9.840  10.916 1.00 32.44 ? 47  VAL A CB  1 
ATOM   346 C  CG1 . VAL A 1 47  ? 17.953 -8.903  9.877  1.00 32.17 ? 47  VAL A CG1 1 
ATOM   347 C  CG2 . VAL A 1 47  ? 16.301 -10.724 10.267 1.00 31.72 ? 47  VAL A CG2 1 
ATOM   348 N  N   . HIS A 1 48  ? 20.813 -10.078 11.892 1.00 34.77 ? 48  HIS A N   1 
ATOM   349 C  CA  . HIS A 1 48  ? 21.950 -9.288  12.398 1.00 36.54 ? 48  HIS A CA  1 
ATOM   350 C  C   . HIS A 1 48  ? 22.147 -8.058  11.496 1.00 37.51 ? 48  HIS A C   1 
ATOM   351 O  O   . HIS A 1 48  ? 21.289 -7.762  10.659 1.00 37.14 ? 48  HIS A O   1 
ATOM   352 C  CB  . HIS A 1 48  ? 23.222 -10.156 12.471 1.00 36.55 ? 48  HIS A CB  1 
ATOM   353 C  CG  . HIS A 1 48  ? 24.309 -9.580  13.338 1.00 38.98 ? 48  HIS A CG  1 
ATOM   354 N  ND1 . HIS A 1 48  ? 24.174 -9.415  14.702 1.00 39.56 ? 48  HIS A ND1 1 
ATOM   355 C  CD2 . HIS A 1 48  ? 25.556 -9.141  13.031 1.00 39.20 ? 48  HIS A CD2 1 
ATOM   356 C  CE1 . HIS A 1 48  ? 25.282 -8.891  15.193 1.00 39.22 ? 48  HIS A CE1 1 
ATOM   357 N  NE2 . HIS A 1 48  ? 26.136 -8.717  14.199 1.00 39.57 ? 48  HIS A NE2 1 
ATOM   358 N  N   . GLU A 1 49  ? 23.255 -7.335  11.689 1.00 39.10 ? 49  GLU A N   1 
ATOM   359 C  CA  . GLU A 1 49  ? 23.603 -6.162  10.871 1.00 39.80 ? 49  GLU A CA  1 
ATOM   360 C  C   . GLU A 1 49  ? 24.829 -6.376  9.960  1.00 40.21 ? 49  GLU A C   1 
ATOM   361 O  O   . GLU A 1 49  ? 24.731 -6.129  8.751  1.00 40.10 ? 49  GLU A O   1 
ATOM   362 C  CB  . GLU A 1 49  ? 23.797 -4.960  11.767 1.00 39.65 ? 49  GLU A CB  1 
ATOM   363 C  CG  . GLU A 1 49  ? 24.143 -3.681  11.030 1.00 41.80 ? 49  GLU A CG  1 
ATOM   364 C  CD  . GLU A 1 49  ? 22.934 -2.902  10.542 1.00 43.48 ? 49  GLU A CD  1 
ATOM   365 O  OE1 . GLU A 1 49  ? 21.920 -3.537  10.172 1.00 44.31 ? 49  GLU A OE1 1 
ATOM   366 O  OE2 . GLU A 1 49  ? 23.014 -1.640  10.538 1.00 44.49 ? 49  GLU A OE2 1 
ATOM   367 N  N   . GLU A 1 50  ? 25.964 -6.812  10.522 1.00 40.72 ? 50  GLU A N   1 
ATOM   368 C  CA  . GLU A 1 50  ? 27.152 -7.213  9.716  1.00 41.23 ? 50  GLU A CA  1 
ATOM   369 C  C   . GLU A 1 50  ? 27.200 -6.540  8.335  1.00 41.32 ? 50  GLU A C   1 
ATOM   370 O  O   . GLU A 1 50  ? 27.445 -5.329  8.213  1.00 42.21 ? 50  GLU A O   1 
ATOM   371 C  CB  . GLU A 1 50  ? 27.269 -8.772  9.609  1.00 41.44 ? 50  GLU A CB  1 
ATOM   372 C  CG  . GLU A 1 50  ? 27.494 -9.415  8.174  1.00 42.07 ? 50  GLU A CG  1 
ATOM   373 C  CD  . GLU A 1 50  ? 28.834 -9.063  7.462  1.00 43.44 ? 50  GLU A CD  1 
ATOM   374 O  OE1 . GLU A 1 50  ? 29.887 -8.928  8.130  1.00 43.30 ? 50  GLU A OE1 1 
ATOM   375 O  OE2 . GLU A 1 50  ? 28.840 -8.935  6.207  1.00 43.32 ? 50  GLU A OE2 1 
ATOM   376 N  N   . VAL A 1 81  ? 20.907 -6.751  16.334 1.00 38.62 ? 81  VAL A N   1 
ATOM   377 C  CA  . VAL A 1 81  ? 19.970 -7.866  16.137 1.00 38.38 ? 81  VAL A CA  1 
ATOM   378 C  C   . VAL A 1 81  ? 18.537 -7.395  15.963 1.00 38.50 ? 81  VAL A C   1 
ATOM   379 O  O   . VAL A 1 81  ? 18.133 -6.381  16.550 1.00 38.61 ? 81  VAL A O   1 
ATOM   380 C  CB  . VAL A 1 81  ? 19.956 -8.818  17.341 1.00 38.35 ? 81  VAL A CB  1 
ATOM   381 C  CG1 . VAL A 1 81  ? 19.946 -8.022  18.640 1.00 39.03 ? 81  VAL A CG1 1 
ATOM   382 C  CG2 . VAL A 1 81  ? 18.743 -9.783  17.282 1.00 37.66 ? 81  VAL A CG2 1 
ATOM   383 N  N   . GLY A 1 82  ? 17.790 -8.156  15.154 1.00 38.17 ? 82  GLY A N   1 
ATOM   384 C  CA  . GLY A 1 82  ? 16.326 -8.120  15.092 1.00 37.70 ? 82  GLY A CA  1 
ATOM   385 C  C   . GLY A 1 82  ? 15.844 -9.553  15.303 1.00 37.61 ? 82  GLY A C   1 
ATOM   386 O  O   . GLY A 1 82  ? 16.434 -10.519 14.780 1.00 37.92 ? 82  GLY A O   1 
ATOM   387 N  N   . SER A 1 83  ? 14.787 -9.703  16.096 1.00 37.11 ? 83  SER A N   1 
ATOM   388 C  CA  . SER A 1 83  ? 14.278 -11.011 16.471 1.00 36.18 ? 83  SER A CA  1 
ATOM   389 C  C   . SER A 1 83  ? 13.087 -11.375 15.600 1.00 35.11 ? 83  SER A C   1 
ATOM   390 O  O   . SER A 1 83  ? 12.130 -10.614 15.499 1.00 35.06 ? 83  SER A O   1 
ATOM   391 C  CB  . SER A 1 83  ? 13.870 -11.037 17.943 1.00 36.36 ? 83  SER A CB  1 
ATOM   392 O  OG  . SER A 1 83  ? 14.047 -12.340 18.496 1.00 37.16 ? 83  SER A OG  1 
ATOM   393 N  N   . LEU A 1 84  ? 13.170 -12.531 14.948 1.00 33.69 ? 84  LEU A N   1 
ATOM   394 C  CA  . LEU A 1 84  ? 11.981 -13.162 14.361 1.00 32.92 ? 84  LEU A CA  1 
ATOM   395 C  C   . LEU A 1 84  ? 11.514 -14.306 15.292 1.00 31.89 ? 84  LEU A C   1 
ATOM   396 O  O   . LEU A 1 84  ? 11.004 -15.334 14.837 1.00 33.32 ? 84  LEU A O   1 
ATOM   397 C  CB  . LEU A 1 84  ? 12.294 -13.678 12.948 1.00 32.55 ? 84  LEU A CB  1 
ATOM   398 C  CG  . LEU A 1 84  ? 12.744 -12.649 11.914 1.00 31.69 ? 84  LEU A CG  1 
ATOM   399 C  CD1 . LEU A 1 84  ? 13.280 -13.378 10.680 1.00 31.77 ? 84  LEU A CD1 1 
ATOM   400 C  CD2 . LEU A 1 84  ? 11.631 -11.710 11.561 1.00 28.43 ? 84  LEU A CD2 1 
ATOM   401 N  N   . GLY A 1 85  ? 11.721 -14.132 16.592 1.00 30.32 ? 85  GLY A N   1 
ATOM   402 C  CA  . GLY A 1 85  ? 11.436 -15.167 17.569 1.00 29.31 ? 85  GLY A CA  1 
ATOM   403 C  C   . GLY A 1 85  ? 12.374 -16.366 17.534 1.00 28.70 ? 85  GLY A C   1 
ATOM   404 O  O   . GLY A 1 85  ? 13.606 -16.233 17.643 1.00 27.46 ? 85  GLY A O   1 
ATOM   405 N  N   . ASN A 1 86  ? 11.777 -17.548 17.418 1.00 27.52 ? 86  ASN A N   1 
ATOM   406 C  CA  . ASN A 1 86  ? 12.519 -18.781 17.350 1.00 26.94 ? 86  ASN A CA  1 
ATOM   407 C  C   . ASN A 1 86  ? 11.946 -19.581 16.219 1.00 27.55 ? 86  ASN A C   1 
ATOM   408 O  O   . ASN A 1 86  ? 10.763 -19.388 15.850 1.00 27.66 ? 86  ASN A O   1 
ATOM   409 C  CB  . ASN A 1 86  ? 12.317 -19.581 18.629 1.00 26.80 ? 86  ASN A CB  1 
ATOM   410 C  CG  . ASN A 1 86  ? 13.165 -19.097 19.777 1.00 24.58 ? 86  ASN A CG  1 
ATOM   411 O  OD1 . ASN A 1 86  ? 14.299 -19.549 19.943 1.00 26.84 ? 86  ASN A OD1 1 
ATOM   412 N  ND2 . ASN A 1 86  ? 12.610 -18.234 20.605 1.00 18.91 ? 86  ASN A ND2 1 
ATOM   413 N  N   . VAL A 1 87  ? 12.751 -20.500 15.699 1.00 26.75 ? 87  VAL A N   1 
ATOM   414 C  CA  . VAL A 1 87  ? 12.207 -21.606 14.923 1.00 26.58 ? 87  VAL A CA  1 
ATOM   415 C  C   . VAL A 1 87  ? 12.314 -22.885 15.735 1.00 27.08 ? 87  VAL A C   1 
ATOM   416 O  O   . VAL A 1 87  ? 13.161 -22.991 16.623 1.00 27.30 ? 87  VAL A O   1 
ATOM   417 C  CB  . VAL A 1 87  ? 12.878 -21.748 13.586 1.00 25.98 ? 87  VAL A CB  1 
ATOM   418 C  CG1 . VAL A 1 87  ? 12.533 -20.546 12.744 1.00 26.54 ? 87  VAL A CG1 1 
ATOM   419 C  CG2 . VAL A 1 87  ? 14.408 -21.875 13.757 1.00 27.99 ? 87  VAL A CG2 1 
ATOM   420 N  N   . THR A 1 88  ? 11.437 -23.841 15.429 1.00 27.56 ? 88  THR A N   1 
ATOM   421 C  CA  . THR A 1 88  ? 11.303 -25.070 16.173 1.00 28.24 ? 88  THR A CA  1 
ATOM   422 C  C   . THR A 1 88  ? 11.695 -26.276 15.326 1.00 28.52 ? 88  THR A C   1 
ATOM   423 O  O   . THR A 1 88  ? 11.047 -26.572 14.332 1.00 27.94 ? 88  THR A O   1 
ATOM   424 C  CB  . THR A 1 88  ? 9.844  -25.276 16.623 1.00 28.73 ? 88  THR A CB  1 
ATOM   425 O  OG1 . THR A 1 88  ? 9.326  -24.049 17.177 1.00 28.77 ? 88  THR A OG1 1 
ATOM   426 C  CG2 . THR A 1 88  ? 9.754  -26.465 17.645 1.00 27.67 ? 88  THR A CG2 1 
ATOM   427 N  N   . ALA A 1 89  ? 12.760 -26.960 15.733 1.00 28.79 ? 89  ALA A N   1 
ATOM   428 C  CA  . ALA A 1 89  ? 13.206 -28.166 15.055 1.00 28.92 ? 89  ALA A CA  1 
ATOM   429 C  C   . ALA A 1 89  ? 12.469 -29.380 15.634 1.00 29.67 ? 89  ALA A C   1 
ATOM   430 O  O   . ALA A 1 89  ? 12.164 -29.431 16.843 1.00 29.31 ? 89  ALA A O   1 
ATOM   431 C  CB  . ALA A 1 89  ? 14.700 -28.328 15.189 1.00 28.38 ? 89  ALA A CB  1 
ATOM   432 N  N   . ASP A 1 90  ? 12.182 -30.336 14.749 1.00 30.12 ? 90  ASP A N   1 
ATOM   433 C  CA  . ASP A 1 90  ? 11.494 -31.566 15.089 1.00 30.63 ? 90  ASP A CA  1 
ATOM   434 C  C   . ASP A 1 90  ? 12.506 -32.635 15.483 1.00 30.84 ? 90  ASP A C   1 
ATOM   435 O  O   . ASP A 1 90  ? 13.697 -32.346 15.587 1.00 30.66 ? 90  ASP A O   1 
ATOM   436 C  CB  . ASP A 1 90  ? 10.655 -32.042 13.888 1.00 30.86 ? 90  ASP A CB  1 
ATOM   437 C  CG  . ASP A 1 90  ? 11.493 -32.698 12.781 1.00 31.41 ? 90  ASP A CG  1 
ATOM   438 O  OD1 . ASP A 1 90  ? 12.742 -32.609 12.799 1.00 32.93 ? 90  ASP A OD1 1 
ATOM   439 O  OD2 . ASP A 1 90  ? 10.884 -33.323 11.882 1.00 31.92 ? 90  ASP A OD2 1 
ATOM   440 N  N   . LYS A 1 91  ? 12.031 -33.873 15.649 1.00 30.98 ? 91  LYS A N   1 
ATOM   441 C  CA  . LYS A 1 91  ? 12.876 -34.976 16.075 1.00 31.19 ? 91  LYS A CA  1 
ATOM   442 C  C   . LYS A 1 91  ? 14.078 -35.276 15.180 1.00 31.12 ? 91  LYS A C   1 
ATOM   443 O  O   . LYS A 1 91  ? 15.131 -35.635 15.703 1.00 31.27 ? 91  LYS A O   1 
ATOM   444 C  CB  . LYS A 1 91  ? 12.059 -36.265 16.277 1.00 31.62 ? 91  LYS A CB  1 
ATOM   445 C  CG  . LYS A 1 91  ? 11.439 -36.406 17.677 1.00 32.53 ? 91  LYS A CG  1 
ATOM   446 C  CD  . LYS A 1 91  ? 12.489 -36.650 18.772 1.00 33.94 ? 91  LYS A CD  1 
ATOM   447 C  CE  . LYS A 1 91  ? 11.850 -36.845 20.161 1.00 34.26 ? 91  LYS A CE  1 
ATOM   448 N  NZ  . LYS A 1 91  ? 12.798 -36.523 21.278 1.00 33.76 ? 91  LYS A NZ  1 
ATOM   449 N  N   . ASP A 1 92  ? 13.949 -35.151 13.860 1.00 30.76 ? 92  ASP A N   1 
ATOM   450 C  CA  . ASP A 1 92  ? 15.094 -35.445 12.985 1.00 30.87 ? 92  ASP A CA  1 
ATOM   451 C  C   . ASP A 1 92  ? 15.743 -34.174 12.396 1.00 30.61 ? 92  ASP A C   1 
ATOM   452 O  O   . ASP A 1 92  ? 16.418 -34.220 11.365 1.00 30.52 ? 92  ASP A O   1 
ATOM   453 C  CB  . ASP A 1 92  ? 14.732 -36.484 11.914 1.00 31.23 ? 92  ASP A CB  1 
ATOM   454 C  CG  . ASP A 1 92  ? 13.430 -36.165 11.209 1.00 32.24 ? 92  ASP A CG  1 
ATOM   455 O  OD1 . ASP A 1 92  ? 13.351 -35.069 10.605 1.00 33.38 ? 92  ASP A OD1 1 
ATOM   456 O  OD2 . ASP A 1 92  ? 12.489 -36.995 11.290 1.00 31.59 ? 92  ASP A OD2 1 
ATOM   457 N  N   . GLY A 1 93  ? 15.555 -33.055 13.087 1.00 30.12 ? 93  GLY A N   1 
ATOM   458 C  CA  . GLY A 1 93  ? 16.353 -31.852 12.849 1.00 30.11 ? 93  GLY A CA  1 
ATOM   459 C  C   . GLY A 1 93  ? 15.777 -30.833 11.885 1.00 29.91 ? 93  GLY A C   1 
ATOM   460 O  O   . GLY A 1 93  ? 16.470 -29.881 11.490 1.00 29.84 ? 93  GLY A O   1 
ATOM   461 N  N   . VAL A 1 94  ? 14.504 -30.988 11.532 1.00 29.78 ? 94  VAL A N   1 
ATOM   462 C  CA  . VAL A 1 94  ? 13.890 -30.117 10.521 1.00 29.24 ? 94  VAL A CA  1 
ATOM   463 C  C   . VAL A 1 94  ? 12.904 -29.148 11.131 1.00 28.79 ? 94  VAL A C   1 
ATOM   464 O  O   . VAL A 1 94  ? 12.006 -29.539 11.879 1.00 27.82 ? 94  VAL A O   1 
ATOM   465 C  CB  . VAL A 1 94  ? 13.189 -30.926 9.406  1.00 29.59 ? 94  VAL A CB  1 
ATOM   466 C  CG1 . VAL A 1 94  ? 12.559 -29.963 8.350  1.00 28.01 ? 94  VAL A CG1 1 
ATOM   467 C  CG2 . VAL A 1 94  ? 14.200 -31.895 8.783  1.00 28.94 ? 94  VAL A CG2 1 
ATOM   468 N  N   . ALA A 1 95  ? 13.086 -27.872 10.786 1.00 28.60 ? 95  ALA A N   1 
ATOM   469 C  CA  . ALA A 1 95  ? 12.257 -26.801 11.303 1.00 28.17 ? 95  ALA A CA  1 
ATOM   470 C  C   . ALA A 1 95  ? 11.567 -26.149 10.133 1.00 27.96 ? 95  ALA A C   1 
ATOM   471 O  O   . ALA A 1 95  ? 12.229 -25.563 9.267  1.00 28.85 ? 95  ALA A O   1 
ATOM   472 C  CB  . ALA A 1 95  ? 13.115 -25.789 12.042 1.00 27.47 ? 95  ALA A CB  1 
ATOM   473 N  N   . ASP A 1 96  ? 10.246 -26.248 10.087 1.00 28.03 ? 96  ASP A N   1 
ATOM   474 C  CA  . ASP A 1 96  ? 9.460  -25.547 9.060  1.00 27.87 ? 96  ASP A CA  1 
ATOM   475 C  C   . ASP A 1 96  ? 9.114  -24.200 9.607  1.00 27.55 ? 96  ASP A C   1 
ATOM   476 O  O   . ASP A 1 96  ? 8.613  -24.085 10.727 1.00 28.15 ? 96  ASP A O   1 
ATOM   477 C  CB  . ASP A 1 96  ? 8.189  -26.293 8.694  1.00 27.32 ? 96  ASP A CB  1 
ATOM   478 C  CG  . ASP A 1 96  ? 8.474  -27.633 8.088  1.00 29.39 ? 96  ASP A CG  1 
ATOM   479 O  OD1 . ASP A 1 96  ? 9.666  -27.909 7.788  1.00 27.91 ? 96  ASP A OD1 1 
ATOM   480 O  OD2 . ASP A 1 96  ? 7.506  -28.425 7.902  1.00 32.67 ? 96  ASP A OD2 1 
ATOM   481 N  N   . VAL A 1 97  ? 9.394  -23.191 8.810  1.00 27.92 ? 97  VAL A N   1 
ATOM   482 C  CA  . VAL A 1 97  ? 9.244  -21.804 9.193  1.00 28.73 ? 97  VAL A CA  1 
ATOM   483 C  C   . VAL A 1 97  ? 8.090  -21.176 8.399  1.00 28.98 ? 97  VAL A C   1 
ATOM   484 O  O   . VAL A 1 97  ? 8.088  -21.162 7.163  1.00 28.58 ? 97  VAL A O   1 
ATOM   485 C  CB  . VAL A 1 97  ? 10.544 -21.037 8.899  1.00 28.57 ? 97  VAL A CB  1 
ATOM   486 C  CG1 . VAL A 1 97  ? 10.477 -19.659 9.538  1.00 30.53 ? 97  VAL A CG1 1 
ATOM   487 C  CG2 . VAL A 1 97  ? 11.750 -21.842 9.432  1.00 29.36 ? 97  VAL A CG2 1 
ATOM   488 N  N   . SER A 1 98  ? 7.068  -20.724 9.106  1.00 29.53 ? 98  SER A N   1 
ATOM   489 C  CA  . SER A 1 98  ? 6.044  -19.933 8.492  1.00 30.32 ? 98  SER A CA  1 
ATOM   490 C  C   . SER A 1 98  ? 5.715  -18.835 9.487  1.00 31.48 ? 98  SER A C   1 
ATOM   491 O  O   . SER A 1 98  ? 5.265  -19.105 10.589 1.00 31.93 ? 98  SER A O   1 
ATOM   492 C  CB  . SER A 1 98  ? 4.841  -20.785 8.178  1.00 30.81 ? 98  SER A CB  1 
ATOM   493 O  OG  . SER A 1 98  ? 3.754  -19.941 7.832  1.00 32.27 ? 98  SER A OG  1 
ATOM   494 N  N   . ILE A 1 99  ? 5.972  -17.602 9.103  1.00 32.35 ? 99  ILE A N   1 
ATOM   495 C  CA  . ILE A 1 99  ? 5.961  -16.476 10.020 1.00 33.94 ? 99  ILE A CA  1 
ATOM   496 C  C   . ILE A 1 99  ? 5.355  -15.290 9.277  1.00 34.56 ? 99  ILE A C   1 
ATOM   497 O  O   . ILE A 1 99  ? 5.445  -15.196 8.046  1.00 33.86 ? 99  ILE A O   1 
ATOM   498 C  CB  . ILE A 1 99  ? 7.406  -16.131 10.449 1.00 34.16 ? 99  ILE A CB  1 
ATOM   499 C  CG1 . ILE A 1 99  ? 7.969  -17.165 11.424 1.00 34.50 ? 99  ILE A CG1 1 
ATOM   500 C  CG2 . ILE A 1 99  ? 7.510  -14.738 11.065 1.00 36.26 ? 99  ILE A CG2 1 
ATOM   501 C  CD1 . ILE A 1 99  ? 9.517  -16.987 11.661 1.00 34.74 ? 99  ILE A CD1 1 
ATOM   502 N  N   . GLU A 1 100 ? 4.706  -14.406 10.018 1.00 35.86 ? 100 GLU A N   1 
ATOM   503 C  CA  . GLU A 1 100 ? 4.239  -13.129 9.470  1.00 36.66 ? 100 GLU A CA  1 
ATOM   504 C  C   . GLU A 1 100 ? 4.631  -12.033 10.459 1.00 36.43 ? 100 GLU A C   1 
ATOM   505 O  O   . GLU A 1 100 ? 4.166  -12.049 11.597 1.00 37.09 ? 100 GLU A O   1 
ATOM   506 C  CB  . GLU A 1 100 ? 2.722  -13.174 9.231  1.00 37.42 ? 100 GLU A CB  1 
ATOM   507 C  CG  . GLU A 1 100 ? 2.092  -11.831 8.865  1.00 39.61 ? 100 GLU A CG  1 
ATOM   508 C  CD  . GLU A 1 100 ? 1.287  -11.885 7.576  1.00 44.40 ? 100 GLU A CD  1 
ATOM   509 O  OE1 . GLU A 1 100 ? 0.039  -12.042 7.654  1.00 47.09 ? 100 GLU A OE1 1 
ATOM   510 O  OE2 . GLU A 1 100 ? 1.903  -11.765 6.481  1.00 47.32 ? 100 GLU A OE2 1 
ATOM   511 N  N   . ASP A 1 101 ? 5.481  -11.103 10.024 1.00 35.91 ? 101 ASP A N   1 
ATOM   512 C  CA  . ASP A 1 101 ? 6.148  -10.145 10.901 1.00 35.82 ? 101 ASP A CA  1 
ATOM   513 C  C   . ASP A 1 101 ? 5.933  -8.717  10.354 1.00 35.42 ? 101 ASP A C   1 
ATOM   514 O  O   . ASP A 1 101 ? 6.387  -8.392  9.240  1.00 34.68 ? 101 ASP A O   1 
ATOM   515 C  CB  . ASP A 1 101 ? 7.647  -10.478 10.942 1.00 36.68 ? 101 ASP A CB  1 
ATOM   516 C  CG  . ASP A 1 101 ? 8.389  -9.860  12.163 1.00 39.45 ? 101 ASP A CG  1 
ATOM   517 O  OD1 . ASP A 1 101 ? 8.038  -10.185 13.325 1.00 44.03 ? 101 ASP A OD1 1 
ATOM   518 O  OD2 . ASP A 1 101 ? 9.359  -9.084  11.965 1.00 40.78 ? 101 ASP A OD2 1 
ATOM   519 N  N   . SER A 1 102 ? 5.237  -7.881  11.125 1.00 34.01 ? 102 SER A N   1 
ATOM   520 C  CA  . SER A 1 102 ? 4.949  -6.505  10.728 1.00 33.59 ? 102 SER A CA  1 
ATOM   521 C  C   . SER A 1 102 ? 5.999  -5.504  11.256 1.00 32.83 ? 102 SER A C   1 
ATOM   522 O  O   . SER A 1 102 ? 5.841  -4.286  11.100 1.00 32.39 ? 102 SER A O   1 
ATOM   523 C  CB  . SER A 1 102 ? 3.566  -6.103  11.238 1.00 33.84 ? 102 SER A CB  1 
ATOM   524 O  OG  . SER A 1 102 ? 2.669  -7.195  11.193 1.00 35.35 ? 102 SER A OG  1 
ATOM   525 N  N   . VAL A 1 103 ? 7.055  -6.019  11.891 1.00 31.88 ? 103 VAL A N   1 
ATOM   526 C  CA  . VAL A 1 103 ? 8.146  -5.171  12.382 1.00 31.30 ? 103 VAL A CA  1 
ATOM   527 C  C   . VAL A 1 103 ? 9.191  -5.026  11.276 1.00 30.05 ? 103 VAL A C   1 
ATOM   528 O  O   . VAL A 1 103 ? 9.498  -3.919  10.891 1.00 30.17 ? 103 VAL A O   1 
ATOM   529 C  CB  . VAL A 1 103 ? 8.801  -5.714  13.680 1.00 31.23 ? 103 VAL A CB  1 
ATOM   530 C  CG1 . VAL A 1 103 ? 9.827  -4.704  14.208 1.00 31.87 ? 103 VAL A CG1 1 
ATOM   531 C  CG2 . VAL A 1 103 ? 7.728  -5.997  14.752 1.00 31.25 ? 103 VAL A CG2 1 
ATOM   532 N  N   . ILE A 1 104 ? 9.711  -6.145  10.765 1.00 28.64 ? 104 ILE A N   1 
ATOM   533 C  CA  . ILE A 1 104 ? 10.655 -6.124  9.645  1.00 27.40 ? 104 ILE A CA  1 
ATOM   534 C  C   . ILE A 1 104 ? 10.016 -5.652  8.341  1.00 26.47 ? 104 ILE A C   1 
ATOM   535 O  O   . ILE A 1 104 ? 8.797  -5.792  8.136  1.00 26.28 ? 104 ILE A O   1 
ATOM   536 C  CB  . ILE A 1 104 ? 11.296 -7.488  9.379  1.00 27.42 ? 104 ILE A CB  1 
ATOM   537 C  CG1 . ILE A 1 104 ? 10.220 -8.539  9.026  1.00 27.32 ? 104 ILE A CG1 1 
ATOM   538 C  CG2 . ILE A 1 104 ? 12.085 -7.912  10.581 1.00 27.44 ? 104 ILE A CG2 1 
ATOM   539 C  CD1 . ILE A 1 104 ? 10.753 -9.773  8.415  1.00 24.24 ? 104 ILE A CD1 1 
ATOM   540 N  N   . SER A 1 105 ? 10.865 -5.090  7.477  1.00 24.26 ? 105 SER A N   1 
ATOM   541 C  CA  . SER A 1 105 ? 10.461 -4.589  6.188  1.00 22.93 ? 105 SER A CA  1 
ATOM   542 C  C   . SER A 1 105 ? 11.615 -4.854  5.249  1.00 22.35 ? 105 SER A C   1 
ATOM   543 O  O   . SER A 1 105 ? 12.738 -4.965  5.695  1.00 21.78 ? 105 SER A O   1 
ATOM   544 C  CB  . SER A 1 105 ? 10.177 -3.061  6.259  1.00 23.24 ? 105 SER A CB  1 
ATOM   545 O  OG  . SER A 1 105 ? 9.612  -2.587  5.050  1.00 20.64 ? 105 SER A OG  1 
ATOM   546 N  N   . LEU A 1 106 ? 11.326 -4.945  3.953  1.00 22.03 ? 106 LEU A N   1 
ATOM   547 C  CA  . LEU A 1 106 ? 12.350 -5.144  2.932  1.00 22.03 ? 106 LEU A CA  1 
ATOM   548 C  C   . LEU A 1 106 ? 12.743 -3.812  2.281  1.00 22.40 ? 106 LEU A C   1 
ATOM   549 O  O   . LEU A 1 106 ? 13.757 -3.760  1.588  1.00 21.97 ? 106 LEU A O   1 
ATOM   550 C  CB  . LEU A 1 106 ? 11.873 -6.114  1.853  1.00 21.74 ? 106 LEU A CB  1 
ATOM   551 C  CG  . LEU A 1 106 ? 11.419 -7.484  2.352  1.00 21.59 ? 106 LEU A CG  1 
ATOM   552 C  CD1 . LEU A 1 106 ? 10.852 -8.328  1.183  1.00 22.00 ? 106 LEU A CD1 1 
ATOM   553 C  CD2 . LEU A 1 106 ? 12.560 -8.208  3.063  1.00 20.43 ? 106 LEU A CD2 1 
ATOM   554 N  N   . SER A 1 107 ? 11.951 -2.758  2.522  1.00 22.63 ? 107 SER A N   1 
ATOM   555 C  CA  . SER A 1 107 ? 12.251 -1.404  2.043  1.00 23.26 ? 107 SER A CA  1 
ATOM   556 C  C   . SER A 1 107 ? 12.295 -0.404  3.193  1.00 23.13 ? 107 SER A C   1 
ATOM   557 O  O   . SER A 1 107 ? 12.129 -0.771  4.353  1.00 22.87 ? 107 SER A O   1 
ATOM   558 C  CB  . SER A 1 107 ? 11.228 -0.973  0.982  1.00 23.93 ? 107 SER A CB  1 
ATOM   559 O  OG  . SER A 1 107 ? 9.984  -1.653  1.159  1.00 25.40 ? 107 SER A OG  1 
ATOM   560 N  N   . GLY A 1 108 ? 12.541 0.862   2.872  1.00 23.05 ? 108 GLY A N   1 
ATOM   561 C  CA  . GLY A 1 108 ? 12.575 1.912   3.887  1.00 22.93 ? 108 GLY A CA  1 
ATOM   562 C  C   . GLY A 1 108 ? 13.901 1.967   4.632  1.00 22.89 ? 108 GLY A C   1 
ATOM   563 O  O   . GLY A 1 108 ? 14.806 1.192   4.341  1.00 22.55 ? 108 GLY A O   1 
ATOM   564 N  N   . ASP A 1 109 ? 14.009 2.878   5.607  1.00 23.32 ? 109 ASP A N   1 
ATOM   565 C  CA  . ASP A 1 109 ? 15.306 3.175   6.254  1.00 23.24 ? 109 ASP A CA  1 
ATOM   566 C  C   . ASP A 1 109 ? 15.850 1.957   7.018  1.00 22.93 ? 109 ASP A C   1 
ATOM   567 O  O   . ASP A 1 109 ? 17.054 1.791   7.143  1.00 22.46 ? 109 ASP A O   1 
ATOM   568 C  CB  . ASP A 1 109 ? 15.225 4.432   7.152  1.00 23.56 ? 109 ASP A CB  1 
ATOM   569 C  CG  . ASP A 1 109 ? 14.809 5.684   6.376  1.00 24.21 ? 109 ASP A CG  1 
ATOM   570 O  OD1 . ASP A 1 109 ? 15.106 6.842   6.796  1.00 27.24 ? 109 ASP A OD1 1 
ATOM   571 O  OD2 . ASP A 1 109 ? 14.171 5.502   5.322  1.00 25.76 ? 109 ASP A OD2 1 
ATOM   572 N  N   . HIS A 1 110 ? 14.969 1.074   7.465  1.00 22.75 ? 110 HIS A N   1 
ATOM   573 C  CA  . HIS A 1 110 ? 15.405 -0.089  8.198  1.00 23.10 ? 110 HIS A CA  1 
ATOM   574 C  C   . HIS A 1 110 ? 15.028 -1.335  7.458  1.00 23.21 ? 110 HIS A C   1 
ATOM   575 O  O   . HIS A 1 110 ? 14.465 -2.261  8.034  1.00 23.94 ? 110 HIS A O   1 
ATOM   576 C  CB  . HIS A 1 110 ? 14.822 -0.068  9.610  1.00 23.17 ? 110 HIS A CB  1 
ATOM   577 C  CG  . HIS A 1 110 ? 15.163 1.176   10.364 1.00 23.45 ? 110 HIS A CG  1 
ATOM   578 N  ND1 . HIS A 1 110 ? 16.389 1.364   10.964 1.00 24.16 ? 110 HIS A ND1 1 
ATOM   579 C  CD2 . HIS A 1 110 ? 14.461 2.313   10.572 1.00 23.47 ? 110 HIS A CD2 1 
ATOM   580 C  CE1 . HIS A 1 110 ? 16.419 2.558   11.528 1.00 25.46 ? 110 HIS A CE1 1 
ATOM   581 N  NE2 . HIS A 1 110 ? 15.261 3.154   11.307 1.00 24.47 ? 110 HIS A NE2 1 
ATOM   582 N  N   . ALA A 1 111 ? 15.371 -1.364  6.176  1.00 23.10 ? 111 ALA A N   1 
ATOM   583 C  CA  . ALA A 1 111 ? 15.135 -2.536  5.351  1.00 23.33 ? 111 ALA A CA  1 
ATOM   584 C  C   . ALA A 1 111 ? 16.092 -3.681  5.742  1.00 23.31 ? 111 ALA A C   1 
ATOM   585 O  O   . ALA A 1 111 ? 17.261 -3.433  6.008  1.00 22.89 ? 111 ALA A O   1 
ATOM   586 C  CB  . ALA A 1 111 ? 15.343 -2.162  3.917  1.00 23.12 ? 111 ALA A CB  1 
ATOM   587 N  N   . ILE A 1 112 ? 15.623 -4.927  5.730  1.00 23.56 ? 112 ILE A N   1 
ATOM   588 C  CA  . ILE A 1 112 ? 16.507 -6.071  6.045  1.00 24.03 ? 112 ILE A CA  1 
ATOM   589 C  C   . ILE A 1 112 ? 17.314 -6.632  4.848  1.00 23.87 ? 112 ILE A C   1 
ATOM   590 O  O   . ILE A 1 112 ? 18.127 -7.518  5.030  1.00 23.63 ? 112 ILE A O   1 
ATOM   591 C  CB  . ILE A 1 112 ? 15.760 -7.213  6.772  1.00 24.04 ? 112 ILE A CB  1 
ATOM   592 C  CG1 . ILE A 1 112 ? 14.678 -7.836  5.896  1.00 26.70 ? 112 ILE A CG1 1 
ATOM   593 C  CG2 . ILE A 1 112 ? 15.134 -6.710  8.072  1.00 24.12 ? 112 ILE A CG2 1 
ATOM   594 C  CD1 . ILE A 1 112 ? 14.005 -9.095  6.555  1.00 28.90 ? 112 ILE A CD1 1 
ATOM   595 N  N   . ILE A 1 113 ? 17.088 -6.132  3.633  1.00 24.00 ? 113 ILE A N   1 
ATOM   596 C  CA  . ILE A 1 113 ? 17.884 -6.573  2.474  1.00 23.95 ? 113 ILE A CA  1 
ATOM   597 C  C   . ILE A 1 113 ? 19.325 -6.159  2.659  1.00 24.80 ? 113 ILE A C   1 
ATOM   598 O  O   . ILE A 1 113 ? 19.614 -4.984  2.945  1.00 25.08 ? 113 ILE A O   1 
ATOM   599 C  CB  . ILE A 1 113 ? 17.397 -5.980  1.161  1.00 23.76 ? 113 ILE A CB  1 
ATOM   600 C  CG1 . ILE A 1 113 ? 15.967 -6.438  0.887  1.00 23.57 ? 113 ILE A CG1 1 
ATOM   601 C  CG2 . ILE A 1 113 ? 18.331 -6.367  0.004  1.00 21.83 ? 113 ILE A CG2 1 
ATOM   602 C  CD1 . ILE A 1 113 ? 15.818 -7.896  0.803  1.00 24.43 ? 113 ILE A CD1 1 
ATOM   603 N  N   . GLY A 1 114 ? 20.232 -7.120  2.484  1.00 25.41 ? 114 GLY A N   1 
ATOM   604 C  CA  . GLY A 1 114 ? 21.637 -6.885  2.711  1.00 25.77 ? 114 GLY A CA  1 
ATOM   605 C  C   . GLY A 1 114 ? 22.049 -7.116  4.153  1.00 26.79 ? 114 GLY A C   1 
ATOM   606 O  O   . GLY A 1 114 ? 23.236 -6.943  4.481  1.00 26.93 ? 114 GLY A O   1 
ATOM   607 N  N   . ARG A 1 115 ? 21.094 -7.469  5.024  1.00 26.86 ? 115 ARG A N   1 
ATOM   608 C  CA  . ARG A 1 115 ? 21.423 -7.966  6.361  1.00 27.84 ? 115 ARG A CA  1 
ATOM   609 C  C   . ARG A 1 115 ? 21.576 -9.519  6.348  1.00 27.78 ? 115 ARG A C   1 
ATOM   610 O  O   . ARG A 1 115 ? 21.225 -10.168 5.357  1.00 27.79 ? 115 ARG A O   1 
ATOM   611 C  CB  . ARG A 1 115 ? 20.367 -7.519  7.379  1.00 28.06 ? 115 ARG A CB  1 
ATOM   612 C  CG  . ARG A 1 115 ? 20.130 -6.019  7.403  1.00 30.23 ? 115 ARG A CG  1 
ATOM   613 C  CD  . ARG A 1 115 ? 19.210 -5.613  8.552  1.00 33.56 ? 115 ARG A CD  1 
ATOM   614 N  NE  . ARG A 1 115 ? 19.129 -4.155  8.687  1.00 37.24 ? 115 ARG A NE  1 
ATOM   615 C  CZ  . ARG A 1 115 ? 18.285 -3.485  9.487  1.00 39.24 ? 115 ARG A CZ  1 
ATOM   616 N  NH1 . ARG A 1 115 ? 17.418 -4.125  10.271 1.00 38.98 ? 115 ARG A NH1 1 
ATOM   617 N  NH2 . ARG A 1 115 ? 18.322 -2.145  9.509  1.00 40.34 ? 115 ARG A NH2 1 
ATOM   618 N  N   . THR A 1 116 ? 22.106 -10.090 7.441  1.00 27.56 ? 116 THR A N   1 
ATOM   619 C  CA  . THR A 1 116 ? 22.346 -11.529 7.547  1.00 27.46 ? 116 THR A CA  1 
ATOM   620 C  C   . THR A 1 116 ? 21.346 -12.230 8.472  1.00 27.31 ? 116 THR A C   1 
ATOM   621 O  O   . THR A 1 116 ? 21.189 -11.867 9.640  1.00 27.21 ? 116 THR A O   1 
ATOM   622 C  CB  . THR A 1 116 ? 23.782 -11.854 8.035  1.00 27.67 ? 116 THR A CB  1 
ATOM   623 O  OG1 . THR A 1 116 ? 24.737 -11.393 7.074  1.00 29.41 ? 116 THR A OG1 1 
ATOM   624 C  CG2 . THR A 1 116 ? 23.985 -13.373 8.221  1.00 26.45 ? 116 THR A CG2 1 
ATOM   625 N  N   . LEU A 1 117 ? 20.678 -13.244 7.928  1.00 27.29 ? 117 LEU A N   1 
ATOM   626 C  CA  . LEU A 1 117 ? 19.727 -14.059 8.690  1.00 27.56 ? 117 LEU A CA  1 
ATOM   627 C  C   . LEU A 1 117 ? 20.556 -15.117 9.410  1.00 27.76 ? 117 LEU A C   1 
ATOM   628 O  O   . LEU A 1 117 ? 21.502 -15.658 8.819  1.00 27.69 ? 117 LEU A O   1 
ATOM   629 C  CB  . LEU A 1 117 ? 18.727 -14.736 7.767  1.00 27.26 ? 117 LEU A CB  1 
ATOM   630 C  CG  . LEU A 1 117 ? 17.539 -15.403 8.433  1.00 27.51 ? 117 LEU A CG  1 
ATOM   631 C  CD1 . LEU A 1 117 ? 16.533 -14.316 8.920  1.00 24.63 ? 117 LEU A CD1 1 
ATOM   632 C  CD2 . LEU A 1 117 ? 16.965 -16.406 7.419  1.00 24.74 ? 117 LEU A CD2 1 
ATOM   633 N  N   . VAL A 1 118 ? 20.216 -15.367 10.682 1.00 27.24 ? 118 VAL A N   1 
ATOM   634 C  CA  . VAL A 1 118 ? 20.986 -16.231 11.572 1.00 26.94 ? 118 VAL A CA  1 
ATOM   635 C  C   . VAL A 1 118 ? 20.045 -17.136 12.346 1.00 26.64 ? 118 VAL A C   1 
ATOM   636 O  O   . VAL A 1 118 ? 19.053 -16.665 12.891 1.00 27.04 ? 118 VAL A O   1 
ATOM   637 C  CB  . VAL A 1 118 ? 21.822 -15.393 12.583 1.00 27.35 ? 118 VAL A CB  1 
ATOM   638 C  CG1 . VAL A 1 118 ? 22.790 -16.285 13.402 1.00 27.64 ? 118 VAL A CG1 1 
ATOM   639 C  CG2 . VAL A 1 118 ? 22.612 -14.302 11.855 1.00 27.18 ? 118 VAL A CG2 1 
ATOM   640 N  N   . VAL A 1 119 ? 20.353 -18.441 12.356 1.00 26.45 ? 119 VAL A N   1 
ATOM   641 C  CA  . VAL A 1 119 ? 19.723 -19.435 13.236 1.00 25.43 ? 119 VAL A CA  1 
ATOM   642 C  C   . VAL A 1 119 ? 20.773 -19.824 14.321 1.00 25.11 ? 119 VAL A C   1 
ATOM   643 O  O   . VAL A 1 119 ? 21.902 -20.220 14.012 1.00 23.72 ? 119 VAL A O   1 
ATOM   644 C  CB  . VAL A 1 119 ? 19.207 -20.676 12.456 1.00 25.56 ? 119 VAL A CB  1 
ATOM   645 C  CG1 . VAL A 1 119 ? 20.295 -21.269 11.557 1.00 26.99 ? 119 VAL A CG1 1 
ATOM   646 C  CG2 . VAL A 1 119 ? 18.689 -21.737 13.411 1.00 25.68 ? 119 VAL A CG2 1 
ATOM   647 N  N   . HIS A 1 120 ? 20.382 -19.659 15.581 1.00 24.14 ? 120 HIS A N   1 
ATOM   648 C  CA  . HIS A 1 120 ? 21.277 -19.789 16.712 1.00 23.93 ? 120 HIS A CA  1 
ATOM   649 C  C   . HIS A 1 120 ? 21.166 -21.164 17.334 1.00 24.43 ? 120 HIS A C   1 
ATOM   650 O  O   . HIS A 1 120 ? 20.116 -21.825 17.226 1.00 24.34 ? 120 HIS A O   1 
ATOM   651 C  CB  . HIS A 1 120 ? 20.940 -18.776 17.796 1.00 23.24 ? 120 HIS A CB  1 
ATOM   652 C  CG  . HIS A 1 120 ? 21.494 -17.410 17.563 1.00 21.11 ? 120 HIS A CG  1 
ATOM   653 N  ND1 . HIS A 1 120 ? 22.830 -17.115 17.719 1.00 20.68 ? 120 HIS A ND1 1 
ATOM   654 C  CD2 . HIS A 1 120 ? 20.886 -16.247 17.238 1.00 18.34 ? 120 HIS A CD2 1 
ATOM   655 C  CE1 . HIS A 1 120 ? 23.026 -15.833 17.471 1.00 20.23 ? 120 HIS A CE1 1 
ATOM   656 N  NE2 . HIS A 1 120 ? 21.858 -15.277 17.203 1.00 18.20 ? 120 HIS A NE2 1 
ATOM   657 N  N   . GLU A 1 121 ? 22.249 -21.528 18.029 1.00 24.75 ? 121 GLU A N   1 
ATOM   658 C  CA  . GLU A 1 121 ? 22.420 -22.782 18.809 1.00 25.61 ? 121 GLU A CA  1 
ATOM   659 C  C   . GLU A 1 121 ? 21.366 -23.061 19.892 1.00 25.43 ? 121 GLU A C   1 
ATOM   660 O  O   . GLU A 1 121 ? 20.958 -24.212 20.070 1.00 24.61 ? 121 GLU A O   1 
ATOM   661 C  CB  . GLU A 1 121 ? 23.794 -22.743 19.475 1.00 26.06 ? 121 GLU A CB  1 
ATOM   662 C  CG  . GLU A 1 121 ? 24.107 -23.876 20.441 1.00 27.25 ? 121 GLU A CG  1 
ATOM   663 C  CD  . GLU A 1 121 ? 25.451 -23.672 21.130 1.00 31.02 ? 121 GLU A CD  1 
ATOM   664 O  OE1 . GLU A 1 121 ? 25.843 -22.488 21.350 1.00 29.50 ? 121 GLU A OE1 1 
ATOM   665 O  OE2 . GLU A 1 121 ? 26.124 -24.695 21.463 1.00 34.08 ? 121 GLU A OE2 1 
ATOM   666 N  N   . LYS A 1 122 ? 20.966 -22.010 20.608 1.00 25.40 ? 122 LYS A N   1 
ATOM   667 C  CA  . LYS A 1 122 ? 20.003 -22.118 21.714 1.00 26.01 ? 122 LYS A CA  1 
ATOM   668 C  C   . LYS A 1 122 ? 18.755 -21.288 21.389 1.00 25.79 ? 122 LYS A C   1 
ATOM   669 O  O   . LYS A 1 122 ? 18.726 -20.591 20.377 1.00 26.13 ? 122 LYS A O   1 
ATOM   670 C  CB  . LYS A 1 122 ? 20.653 -21.638 23.021 1.00 25.97 ? 122 LYS A CB  1 
ATOM   671 C  CG  . LYS A 1 122 ? 21.985 -22.355 23.396 1.00 26.65 ? 122 LYS A CG  1 
ATOM   672 N  N   . ALA A 1 123 ? 17.722 -21.369 22.224 1.00 25.60 ? 123 ALA A N   1 
ATOM   673 C  CA  . ALA A 1 123 ? 16.520 -20.567 22.011 1.00 25.15 ? 123 ALA A CA  1 
ATOM   674 C  C   . ALA A 1 123 ? 16.794 -19.106 22.305 1.00 25.31 ? 123 ALA A C   1 
ATOM   675 O  O   . ALA A 1 123 ? 17.639 -18.798 23.121 1.00 24.40 ? 123 ALA A O   1 
ATOM   676 C  CB  . ALA A 1 123 ? 15.399 -21.053 22.867 1.00 25.03 ? 123 ALA A CB  1 
ATOM   677 N  N   . ASP A 1 124 ? 16.091 -18.210 21.616 1.00 25.89 ? 124 ASP A N   1 
ATOM   678 C  CA  . ASP A 1 124 ? 15.914 -16.841 22.123 1.00 26.66 ? 124 ASP A CA  1 
ATOM   679 C  C   . ASP A 1 124 ? 14.800 -16.929 23.174 1.00 26.33 ? 124 ASP A C   1 
ATOM   680 O  O   . ASP A 1 124 ? 13.649 -17.258 22.842 1.00 24.95 ? 124 ASP A O   1 
ATOM   681 C  CB  . ASP A 1 124 ? 15.505 -15.847 21.011 1.00 26.90 ? 124 ASP A CB  1 
ATOM   682 C  CG  . ASP A 1 124 ? 15.560 -14.379 21.484 1.00 28.42 ? 124 ASP A CG  1 
ATOM   683 O  OD1 . ASP A 1 124 ? 15.607 -14.150 22.726 1.00 27.13 ? 124 ASP A OD1 1 
ATOM   684 O  OD2 . ASP A 1 124 ? 15.588 -13.459 20.618 1.00 28.22 ? 124 ASP A OD2 1 
ATOM   685 N  N   . ASP A 1 125 ? 15.130 -16.640 24.434 1.00 25.81 ? 125 ASP A N   1 
ATOM   686 C  CA  . ASP A 1 125 ? 14.127 -16.779 25.496 1.00 26.02 ? 125 ASP A CA  1 
ATOM   687 C  C   . ASP A 1 125 ? 13.196 -15.578 25.541 1.00 25.49 ? 125 ASP A C   1 
ATOM   688 O  O   . ASP A 1 125 ? 12.244 -15.574 26.318 1.00 25.21 ? 125 ASP A O   1 
ATOM   689 C  CB  . ASP A 1 125 ? 14.767 -17.049 26.866 1.00 25.93 ? 125 ASP A CB  1 
ATOM   690 C  CG  . ASP A 1 125 ? 15.651 -15.915 27.353 1.00 27.02 ? 125 ASP A CG  1 
ATOM   691 O  OD1 . ASP A 1 125 ? 15.672 -14.836 26.714 1.00 29.34 ? 125 ASP A OD1 1 
ATOM   692 O  OD2 . ASP A 1 125 ? 16.350 -16.111 28.380 1.00 26.26 ? 125 ASP A OD2 1 
ATOM   693 N  N   . LEU A 1 126 ? 13.505 -14.572 24.713 1.00 25.22 ? 126 LEU A N   1 
ATOM   694 C  CA  . LEU A 1 126 ? 12.668 -13.383 24.485 1.00 25.18 ? 126 LEU A CA  1 
ATOM   695 C  C   . LEU A 1 126 ? 12.422 -12.608 25.744 1.00 24.48 ? 126 LEU A C   1 
ATOM   696 O  O   . LEU A 1 126 ? 11.358 -12.032 25.932 1.00 24.96 ? 126 LEU A O   1 
ATOM   697 C  CB  . LEU A 1 126 ? 11.344 -13.774 23.843 1.00 25.48 ? 126 LEU A CB  1 
ATOM   698 C  CG  . LEU A 1 126 ? 11.484 -14.569 22.547 1.00 27.00 ? 126 LEU A CG  1 
ATOM   699 C  CD1 . LEU A 1 126 ? 10.108 -15.099 22.111 1.00 28.88 ? 126 LEU A CD1 1 
ATOM   700 C  CD2 . LEU A 1 126 ? 12.176 -13.737 21.447 1.00 26.87 ? 126 LEU A CD2 1 
ATOM   701 N  N   . GLY A 1 127 ? 13.417 -12.609 26.622 1.00 24.34 ? 127 GLY A N   1 
ATOM   702 C  CA  . GLY A 1 127 ? 13.355 -11.880 27.872 1.00 23.88 ? 127 GLY A CA  1 
ATOM   703 C  C   . GLY A 1 127 ? 12.548 -12.596 28.927 1.00 23.74 ? 127 GLY A C   1 
ATOM   704 O  O   . GLY A 1 127 ? 12.209 -12.013 29.944 1.00 23.42 ? 127 GLY A O   1 
ATOM   705 N  N   . LYS A 1 128 ? 12.251 -13.863 28.695 1.00 23.63 ? 128 LYS A N   1 
ATOM   706 C  CA  . LYS A 1 128 ? 11.384 -14.628 29.589 1.00 23.47 ? 128 LYS A CA  1 
ATOM   707 C  C   . LYS A 1 128 ? 12.050 -15.951 29.962 1.00 22.47 ? 128 LYS A C   1 
ATOM   708 O  O   . LYS A 1 128 ? 11.400 -16.991 30.042 1.00 22.11 ? 128 LYS A O   1 
ATOM   709 C  CB  . LYS A 1 128 ? 10.030 -14.859 28.902 1.00 23.67 ? 128 LYS A CB  1 
ATOM   710 C  CG  . LYS A 1 128 ? 8.880  -14.065 29.484 1.00 24.46 ? 128 LYS A CG  1 
ATOM   711 C  CD  . LYS A 1 128 ? 8.648  -12.744 28.785 1.00 24.98 ? 128 LYS A CD  1 
ATOM   712 C  CE  . LYS A 1 128 ? 7.235  -12.229 29.081 1.00 26.29 ? 128 LYS A CE  1 
ATOM   713 N  NZ  . LYS A 1 128 ? 6.667  -11.523 27.890 1.00 26.47 ? 128 LYS A NZ  1 
ATOM   714 N  N   . GLY A 1 129 ? 13.355 -15.897 30.191 1.00 21.71 ? 129 GLY A N   1 
ATOM   715 C  CA  . GLY A 1 129 ? 14.118 -17.092 30.504 1.00 21.88 ? 129 GLY A CA  1 
ATOM   716 C  C   . GLY A 1 129 ? 13.965 -17.564 31.941 1.00 21.95 ? 129 GLY A C   1 
ATOM   717 O  O   . GLY A 1 129 ? 14.444 -18.626 32.284 1.00 22.18 ? 129 GLY A O   1 
ATOM   718 N  N   . GLY A 1 130 ? 13.295 -16.789 32.786 1.00 21.99 ? 130 GLY A N   1 
ATOM   719 C  CA  . GLY A 1 130 ? 13.080 -17.199 34.165 1.00 22.55 ? 130 GLY A CA  1 
ATOM   720 C  C   . GLY A 1 130 ? 14.180 -16.677 35.047 1.00 23.07 ? 130 GLY A C   1 
ATOM   721 O  O   . GLY A 1 130 ? 14.146 -16.853 36.256 1.00 22.94 ? 130 GLY A O   1 
ATOM   722 N  N   . ASN A 1 131 ? 15.144 -15.995 34.440 1.00 23.86 ? 131 ASN A N   1 
ATOM   723 C  CA  . ASN A 1 131 ? 16.299 -15.514 35.163 1.00 24.31 ? 131 ASN A CA  1 
ATOM   724 C  C   . ASN A 1 131 ? 16.910 -14.289 34.497 1.00 24.22 ? 131 ASN A C   1 
ATOM   725 O  O   . ASN A 1 131 ? 16.222 -13.300 34.266 1.00 24.19 ? 131 ASN A O   1 
ATOM   726 C  CB  . ASN A 1 131 ? 17.326 -16.624 35.238 1.00 24.64 ? 131 ASN A CB  1 
ATOM   727 C  CG  . ASN A 1 131 ? 18.547 -16.217 36.009 1.00 26.61 ? 131 ASN A CG  1 
ATOM   728 O  OD1 . ASN A 1 131 ? 19.552 -15.811 35.402 1.00 29.12 ? 131 ASN A OD1 1 
ATOM   729 N  ND2 . ASN A 1 131 ? 18.469 -16.278 37.362 1.00 25.28 ? 131 ASN A ND2 1 
ATOM   730 N  N   . ASN A 1 139 ? 23.948 -14.955 24.740 1.00 36.47 ? 139 ASN A N   1 
ATOM   731 C  CA  . ASN A 1 139 ? 22.530 -14.619 24.806 1.00 36.63 ? 139 ASN A CA  1 
ATOM   732 C  C   . ASN A 1 139 ? 21.689 -15.778 24.219 1.00 36.04 ? 139 ASN A C   1 
ATOM   733 O  O   . ASN A 1 139 ? 20.969 -16.445 24.975 1.00 36.09 ? 139 ASN A O   1 
ATOM   734 C  CB  . ASN A 1 139 ? 22.267 -13.282 24.085 1.00 37.12 ? 139 ASN A CB  1 
ATOM   735 C  CG  . ASN A 1 139 ? 21.352 -12.324 24.886 1.00 37.75 ? 139 ASN A CG  1 
ATOM   736 O  OD1 . ASN A 1 139 ? 21.586 -12.063 26.067 1.00 37.27 ? 139 ASN A OD1 1 
ATOM   737 N  ND2 . ASN A 1 139 ? 20.335 -11.764 24.213 1.00 37.56 ? 139 ASN A ND2 1 
ATOM   738 N  N   . ALA A 1 140 ? 21.816 -16.043 22.907 1.00 35.09 ? 140 ALA A N   1 
ATOM   739 C  CA  . ALA A 1 140 ? 21.186 -17.245 22.264 1.00 34.76 ? 140 ALA A CA  1 
ATOM   740 C  C   . ALA A 1 140 ? 22.213 -18.306 21.744 1.00 33.99 ? 140 ALA A C   1 
ATOM   741 O  O   . ALA A 1 140 ? 21.920 -19.123 20.848 1.00 33.58 ? 140 ALA A O   1 
ATOM   742 C  CB  . ALA A 1 140 ? 20.191 -16.824 21.134 1.00 33.97 ? 140 ALA A CB  1 
ATOM   743 N  N   . GLY A 1 141 ? 23.406 -18.306 22.329 1.00 33.48 ? 141 GLY A N   1 
ATOM   744 C  CA  . GLY A 1 141 ? 24.437 -19.285 21.980 1.00 32.95 ? 141 GLY A CA  1 
ATOM   745 C  C   . GLY A 1 141 ? 25.068 -19.001 20.635 1.00 32.59 ? 141 GLY A C   1 
ATOM   746 O  O   . GLY A 1 141 ? 24.849 -17.938 20.039 1.00 32.90 ? 141 GLY A O   1 
ATOM   747 N  N   . SER A 1 142 ? 25.852 -19.960 20.150 1.00 31.85 ? 142 SER A N   1 
ATOM   748 C  CA  . SER A 1 142 ? 26.585 -19.806 18.892 1.00 31.18 ? 142 SER A CA  1 
ATOM   749 C  C   . SER A 1 142 ? 25.626 -19.573 17.729 1.00 30.40 ? 142 SER A C   1 
ATOM   750 O  O   . SER A 1 142 ? 24.451 -19.925 17.808 1.00 30.48 ? 142 SER A O   1 
ATOM   751 C  CB  . SER A 1 142 ? 27.429 -21.052 18.581 1.00 30.98 ? 142 SER A CB  1 
ATOM   752 O  OG  . SER A 1 142 ? 27.703 -21.805 19.746 1.00 32.43 ? 142 SER A OG  1 
ATOM   753 N  N   . ARG A 1 143 ? 26.152 -18.956 16.670 1.00 29.42 ? 143 ARG A N   1 
ATOM   754 C  CA  . ARG A 1 143 ? 25.492 -18.833 15.375 1.00 28.87 ? 143 ARG A CA  1 
ATOM   755 C  C   . ARG A 1 143 ? 25.762 -20.144 14.638 1.00 28.33 ? 143 ARG A C   1 
ATOM   756 O  O   . ARG A 1 143 ? 26.936 -20.478 14.376 1.00 28.07 ? 143 ARG A O   1 
ATOM   757 C  CB  . ARG A 1 143 ? 26.092 -17.652 14.603 1.00 28.82 ? 143 ARG A CB  1 
ATOM   758 C  CG  . ARG A 1 143 ? 26.009 -16.287 15.312 1.00 29.50 ? 143 ARG A CG  1 
ATOM   759 C  CD  . ARG A 1 143 ? 27.028 -15.301 14.693 1.00 32.80 ? 143 ARG A CD  1 
ATOM   760 N  NE  . ARG A 1 143 ? 26.591 -13.896 14.636 1.00 34.28 ? 143 ARG A NE  1 
ATOM   761 C  CZ  . ARG A 1 143 ? 26.435 -13.166 13.519 1.00 36.03 ? 143 ARG A CZ  1 
ATOM   762 N  NH1 . ARG A 1 143 ? 26.668 -13.657 12.293 1.00 34.39 ? 143 ARG A NH1 1 
ATOM   763 N  NH2 . ARG A 1 143 ? 26.050 -11.904 13.626 1.00 36.66 ? 143 ARG A NH2 1 
ATOM   764 N  N   . LEU A 1 144 ? 24.713 -20.916 14.342 1.00 27.47 ? 144 LEU A N   1 
ATOM   765 C  CA  . LEU A 1 144 ? 24.898 -22.246 13.748 1.00 26.96 ? 144 LEU A CA  1 
ATOM   766 C  C   . LEU A 1 144 ? 24.908 -22.187 12.232 1.00 26.63 ? 144 LEU A C   1 
ATOM   767 O  O   . LEU A 1 144 ? 25.681 -22.888 11.598 1.00 26.50 ? 144 LEU A O   1 
ATOM   768 C  CB  . LEU A 1 144 ? 23.818 -23.233 14.205 1.00 26.98 ? 144 LEU A CB  1 
ATOM   769 C  CG  . LEU A 1 144 ? 23.828 -23.679 15.661 1.00 27.55 ? 144 LEU A CG  1 
ATOM   770 C  CD1 . LEU A 1 144 ? 23.003 -24.939 15.802 1.00 26.42 ? 144 LEU A CD1 1 
ATOM   771 C  CD2 . LEU A 1 144 ? 25.252 -23.908 16.184 1.00 30.84 ? 144 LEU A CD2 1 
ATOM   772 N  N   . ALA A 1 145 ? 24.034 -21.369 11.655 1.00 26.47 ? 145 ALA A N   1 
ATOM   773 C  CA  . ALA A 1 145 ? 24.023 -21.166 10.209 1.00 26.43 ? 145 ALA A CA  1 
ATOM   774 C  C   . ALA A 1 145 ? 23.483 -19.773 9.843  1.00 26.27 ? 145 ALA A C   1 
ATOM   775 O  O   . ALA A 1 145 ? 22.559 -19.256 10.490 1.00 26.30 ? 145 ALA A O   1 
ATOM   776 C  CB  . ALA A 1 145 ? 23.204 -22.259 9.549  1.00 26.73 ? 145 ALA A CB  1 
ATOM   777 N  N   . CYS A 1 146 ? 24.054 -19.178 8.803  1.00 25.90 ? 146 CYS A N   1 
ATOM   778 C  CA  . CYS A 1 146 ? 23.807 -17.773 8.486  1.00 26.75 ? 146 CYS A CA  1 
ATOM   779 C  C   . CYS A 1 146 ? 23.705 -17.543 6.968  1.00 26.78 ? 146 CYS A C   1 
ATOM   780 O  O   . CYS A 1 146 ? 24.238 -18.323 6.150  1.00 25.64 ? 146 CYS A O   1 
ATOM   781 C  CB  . CYS A 1 146 ? 24.901 -16.857 9.113  1.00 27.03 ? 146 CYS A CB  1 
ATOM   782 S  SG  A CYS A 1 146 ? 25.946 -16.304 7.818  0.50 27.75 ? 146 CYS A SG  1 
ATOM   783 S  SG  B CYS A 1 146 ? 24.634 -16.826 10.864 0.50 28.56 ? 146 CYS A SG  1 
ATOM   784 N  N   . GLY A 1 147 ? 23.009 -16.466 6.603  1.00 26.89 ? 147 GLY A N   1 
ATOM   785 C  CA  . GLY A 1 147 ? 22.713 -16.185 5.198  1.00 27.17 ? 147 GLY A CA  1 
ATOM   786 C  C   . GLY A 1 147 ? 22.317 -14.747 4.986  1.00 27.24 ? 147 GLY A C   1 
ATOM   787 O  O   . GLY A 1 147 ? 21.588 -14.179 5.785  1.00 28.36 ? 147 GLY A O   1 
ATOM   788 N  N   . VAL A 1 148 ? 22.797 -14.158 3.900  1.00 27.72 ? 148 VAL A N   1 
ATOM   789 C  CA  . VAL A 1 148 ? 22.500 -12.743 3.559  1.00 27.98 ? 148 VAL A CA  1 
ATOM   790 C  C   . VAL A 1 148 ? 21.115 -12.670 2.939  1.00 27.20 ? 148 VAL A C   1 
ATOM   791 O  O   . VAL A 1 148 ? 20.750 -13.554 2.162  1.00 26.79 ? 148 VAL A O   1 
ATOM   792 C  CB  . VAL A 1 148 ? 23.592 -12.122 2.626  1.00 27.74 ? 148 VAL A CB  1 
ATOM   793 C  CG1 . VAL A 1 148 ? 23.042 -10.971 1.783  1.00 28.74 ? 148 VAL A CG1 1 
ATOM   794 C  CG2 . VAL A 1 148 ? 24.780 -11.635 3.464  1.00 29.40 ? 148 VAL A CG2 1 
ATOM   795 N  N   . ILE A 1 149 ? 20.335 -11.651 3.314  1.00 26.92 ? 149 ILE A N   1 
ATOM   796 C  CA  . ILE A 1 149 ? 18.986 -11.516 2.784  1.00 26.64 ? 149 ILE A CA  1 
ATOM   797 C  C   . ILE A 1 149 ? 19.094 -10.691 1.504  1.00 26.85 ? 149 ILE A C   1 
ATOM   798 O  O   . ILE A 1 149 ? 19.253 -9.467  1.553  1.00 27.20 ? 149 ILE A O   1 
ATOM   799 C  CB  . ILE A 1 149 ? 17.998 -10.907 3.788  1.00 26.12 ? 149 ILE A CB  1 
ATOM   800 C  CG1 . ILE A 1 149 ? 17.939 -11.741 5.076  1.00 26.98 ? 149 ILE A CG1 1 
ATOM   801 C  CG2 . ILE A 1 149 ? 16.599 -10.853 3.171  1.00 25.88 ? 149 ILE A CG2 1 
ATOM   802 C  CD1 . ILE A 1 149 ? 17.184 -11.094 6.266  1.00 23.03 ? 149 ILE A CD1 1 
ATOM   803 N  N   . GLY A 1 150 ? 19.010 -11.375 0.364  1.00 27.00 ? 150 GLY A N   1 
ATOM   804 C  CA  . GLY A 1 150 ? 19.184 -10.746 -0.956 1.00 27.11 ? 150 GLY A CA  1 
ATOM   805 C  C   . GLY A 1 150 ? 17.866 -10.654 -1.687 1.00 27.38 ? 150 GLY A C   1 
ATOM   806 O  O   . GLY A 1 150 ? 16.995 -11.522 -1.528 1.00 26.10 ? 150 GLY A O   1 
ATOM   807 N  N   . ILE A 1 151 ? 17.712 -9.600  -2.483 1.00 28.45 ? 151 ILE A N   1 
ATOM   808 C  CA  . ILE A 1 151 ? 16.521 -9.447  -3.331 1.00 29.24 ? 151 ILE A CA  1 
ATOM   809 C  C   . ILE A 1 151 ? 16.473 -10.568 -4.387 1.00 30.32 ? 151 ILE A C   1 
ATOM   810 O  O   . ILE A 1 151 ? 17.504 -10.955 -4.949 1.00 30.14 ? 151 ILE A O   1 
ATOM   811 C  CB  . ILE A 1 151 ? 16.404 -8.006  -3.945 1.00 29.43 ? 151 ILE A CB  1 
ATOM   812 C  CG1 . ILE A 1 151 ? 15.863 -7.043  -2.892 1.00 28.79 ? 151 ILE A CG1 1 
ATOM   813 C  CG2 . ILE A 1 151 ? 15.438 -7.965  -5.139 1.00 29.23 ? 151 ILE A CG2 1 
ATOM   814 C  CD1 . ILE A 1 151 ? 14.341 -7.187  -2.636 1.00 28.00 ? 151 ILE A CD1 1 
ATOM   815 N  N   . ALA A 1 152 ? 15.272 -11.128 -4.563 1.00 31.73 ? 152 ALA A N   1 
ATOM   816 C  CA  . ALA A 1 152 ? 14.979 -12.173 -5.554 1.00 32.94 ? 152 ALA A CA  1 
ATOM   817 C  C   . ALA A 1 152 ? 13.978 -11.620 -6.568 1.00 34.01 ? 152 ALA A C   1 
ATOM   818 O  O   . ALA A 1 152 ? 12.908 -11.138 -6.160 1.00 35.12 ? 152 ALA A O   1 
ATOM   819 C  CB  . ALA A 1 152 ? 14.383 -13.380 -4.872 1.00 32.31 ? 152 ALA A CB  1 
HETATM 820 ZN ZN  . ZN  B 2 .   ? 21.528 -13.358 17.042 1.00 37.83 ? 154 ZN  A ZN  1 
HETATM 821 ZN ZN  . ZN  C 2 .   ? 10.994 -34.377 10.411 1.00 62.86 ? 155 ZN  A ZN  1 
HETATM 822 ZN ZN  . ZN  D 2 .   ? 6.421  -7.941  -7.176 1.00 41.79 ? 156 ZN  A ZN  1 
HETATM 823 ZN ZN  . ZN  E 2 .   ? 15.853 5.124   11.306 1.00 60.74 ? 158 ZN  A ZN  1 
HETATM 824 ZN ZN  . ZN  F 2 .   ? 17.183 -14.431 29.055 1.00 76.61 ? 159 ZN  A ZN  1 
HETATM 825 O  O   . HOH G 3 .   ? 31.329 -7.477  6.687  1.00 27.09 ? 201 HOH A O   1 
HETATM 826 O  O   . HOH G 3 .   ? 17.437 -11.604 21.772 1.00 41.03 ? 202 HOH A O   1 
HETATM 827 O  O   . HOH G 3 .   ? 27.803 -22.461 22.412 1.00 33.47 ? 203 HOH A O   1 
HETATM 828 O  O   . HOH G 3 .   ? 2.203  -7.022  -7.516 1.00 23.45 ? 204 HOH A O   1 
HETATM 829 O  O   . HOH G 3 .   ? 18.034 -30.129 22.682 1.00 37.77 ? 205 HOH A O   1 
HETATM 830 O  O   . HOH G 3 .   ? 4.955  -7.465  -8.677 1.00 21.06 ? 206 HOH A O   1 
HETATM 831 O  O   . HOH G 3 .   ? 8.352  -33.576 11.197 1.00 29.98 ? 207 HOH A O   1 
HETATM 832 O  O   . HOH G 3 .   ? 10.144 -36.532 10.813 1.00 21.60 ? 208 HOH A O   1 
HETATM 833 O  O   . HOH G 3 .   ? 6.102  -10.234 -7.250 1.00 9.73  ? 209 HOH A O   1 
HETATM 834 O  O   . HOH G 3 .   ? 10.237 -14.683 -1.552 1.00 29.54 ? 210 HOH A O   1 
HETATM 835 O  O   . HOH G 3 .   ? 22.162 -12.539 18.899 1.00 18.75 ? 211 HOH A O   1 
HETATM 836 O  O   . HOH G 3 .   ? 22.494 -12.426 14.995 1.00 9.31  ? 212 HOH A O   1 
HETATM 837 O  O   . HOH G 3 .   ? 3.503  -11.282 -7.257 1.00 26.37 ? 213 HOH A O   1 
HETATM 838 O  O   . HOH G 3 .   ? 16.912 -16.062 32.010 1.00 35.42 ? 214 HOH A O   1 
HETATM 839 O  O   . HOH G 3 .   ? 17.431 -18.316 28.662 1.00 18.26 ? 215 HOH A O   1 
HETATM 840 O  O   . HOH G 3 .   ? 15.283 -13.298 30.329 1.00 16.32 ? 216 HOH A O   1 
HETATM 841 O  O   . HOH G 3 .   ? 11.258 -14.476 32.958 1.00 10.05 ? 217 HOH A O   1 
HETATM 842 O  O   . HOH G 3 .   ? 9.144  -28.705 11.693 1.00 30.84 ? 218 HOH A O   1 
HETATM 843 O  O   . HOH G 3 .   ? 16.679 -12.866 28.106 1.00 29.20 ? 219 HOH A O   1 
HETATM 844 O  O   . HOH G 3 .   ? 35.078 -25.161 13.368 1.00 43.20 ? 220 HOH A O   1 
HETATM 845 O  O   . HOH G 3 .   ? 24.451 -25.925 23.082 1.00 46.22 ? 221 HOH A O   1 
HETATM 846 O  O   . HOH G 3 .   ? 18.385 4.990   10.067 1.00 18.11 ? 222 HOH A O   1 
HETATM 847 O  O   . HOH G 3 .   ? 9.558  -10.264 -9.945 1.00 28.73 ? 223 HOH A O   1 
HETATM 848 O  O   . HOH G 3 .   ? 12.947 -3.516  8.846  1.00 29.27 ? 224 HOH A O   1 
HETATM 849 O  O   . HOH G 3 .   ? 21.698 -15.872 1.041  1.00 23.66 ? 225 HOH A O   1 
HETATM 850 O  O   . HOH G 3 .   ? 4.674  -17.413 6.024  1.00 29.69 ? 226 HOH A O   1 
HETATM 851 O  O   . HOH G 3 .   ? 18.406 -1.151  6.207  1.00 17.38 ? 227 HOH A O   1 
HETATM 852 O  O   . HOH G 3 .   ? 2.974  -6.827  2.679  1.00 22.07 ? 228 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   ALA 1   1   1   ALA ALA A . n 
A 1 2   THR 2   2   2   THR THR A . n 
A 1 3   LYS 3   3   3   LYS LYS A . n 
A 1 4   ALA 4   4   4   ALA ALA A . n 
A 1 5   VAL 5   5   5   VAL VAL A . n 
A 1 6   ALA 6   6   6   ALA ALA A . n 
A 1 7   VAL 7   7   7   VAL VAL A . n 
A 1 8   LEU 8   8   8   LEU LEU A . n 
A 1 9   LYS 9   9   9   LYS LYS A . n 
A 1 10  GLY 10  10  10  GLY GLY A . n 
A 1 11  ASP 11  11  11  ASP ASP A . n 
A 1 12  GLY 12  12  12  GLY GLY A . n 
A 1 13  PRO 13  13  13  PRO PRO A . n 
A 1 14  VAL 14  14  14  VAL VAL A . n 
A 1 15  GLN 15  15  15  GLN GLN A . n 
A 1 16  GLY 16  16  16  GLY GLY A . n 
A 1 17  ILE 17  17  17  ILE ILE A . n 
A 1 18  ILE 18  18  18  ILE ILE A . n 
A 1 19  ASN 19  19  19  ASN ASN A . n 
A 1 20  PHE 20  20  20  PHE PHE A . n 
A 1 21  GLU 21  21  21  GLU GLU A . n 
A 1 22  GLN 22  22  22  GLN GLN A . n 
A 1 23  LYS 23  23  23  LYS LYS A . n 
A 1 24  GLU 24  24  24  GLU GLU A . n 
A 1 25  SER 25  25  25  SER SER A . n 
A 1 26  ASN 26  26  26  ASN ASN A . n 
A 1 27  GLY 27  27  27  GLY GLY A . n 
A 1 28  PRO 28  28  28  PRO PRO A . n 
A 1 29  VAL 29  29  29  VAL VAL A . n 
A 1 30  LYS 30  30  30  LYS LYS A . n 
A 1 31  VAL 31  31  31  VAL VAL A . n 
A 1 32  TRP 32  32  32  TRP TRP A . n 
A 1 33  GLY 33  33  33  GLY GLY A . n 
A 1 34  SER 34  34  34  SER SER A . n 
A 1 35  ILE 35  35  35  ILE ILE A . n 
A 1 36  LYS 36  36  36  LYS LYS A . n 
A 1 37  GLY 37  37  37  GLY GLY A . n 
A 1 38  LEU 38  38  38  LEU LEU A . n 
A 1 39  THR 39  39  39  THR THR A . n 
A 1 40  GLU 40  40  40  GLU GLU A . n 
A 1 41  GLY 41  41  41  GLY GLY A . n 
A 1 42  LEU 42  42  42  LEU LEU A . n 
A 1 43  HIS 43  43  43  HIS HIS A . n 
A 1 44  GLY 44  44  44  GLY GLY A . n 
A 1 45  PHE 45  45  45  PHE PHE A . n 
A 1 46  HIS 46  46  46  HIS HIS A . n 
A 1 47  VAL 47  47  47  VAL VAL A . n 
A 1 48  HIS 48  48  48  HIS HIS A . n 
A 1 49  GLU 49  49  49  GLU GLU A . n 
A 1 50  GLU 50  50  50  GLU GLU A . n 
A 1 51  GLU 51  51  ?   ?   ?   A . n 
A 1 52  ASP 52  52  ?   ?   ?   A . n 
A 1 53  ASN 53  53  ?   ?   ?   A . n 
A 1 54  THR 54  54  ?   ?   ?   A . n 
A 1 55  ALA 55  55  ?   ?   ?   A . n 
A 1 56  GLY 56  56  ?   ?   ?   A . n 
A 1 57  CYS 57  57  ?   ?   ?   A . n 
A 1 58  THR 58  58  ?   ?   ?   A . n 
A 1 59  SER 59  59  ?   ?   ?   A . n 
A 1 60  ALA 60  60  ?   ?   ?   A . n 
A 1 61  GLY 61  61  ?   ?   ?   A . n 
A 1 62  PRO 62  62  ?   ?   ?   A . n 
A 1 63  SER 63  63  ?   ?   ?   A . n 
A 1 64  PHE 64  64  ?   ?   ?   A . n 
A 1 65  ASN 65  65  ?   ?   ?   A . n 
A 1 66  PRO 66  66  ?   ?   ?   A . n 
A 1 67  LEU 67  67  ?   ?   ?   A . n 
A 1 68  SER 68  68  ?   ?   ?   A . n 
A 1 69  ARG 69  69  ?   ?   ?   A . n 
A 1 70  LYS 70  70  ?   ?   ?   A . n 
A 1 71  SER 71  71  ?   ?   ?   A . n 
A 1 72  GLY 72  72  ?   ?   ?   A . n 
A 1 73  GLY 73  73  ?   ?   ?   A . n 
A 1 74  PRO 74  74  ?   ?   ?   A . n 
A 1 75  LYS 75  75  ?   ?   ?   A . n 
A 1 76  ASP 76  76  ?   ?   ?   A . n 
A 1 77  GLU 77  77  ?   ?   ?   A . n 
A 1 78  GLU 78  78  ?   ?   ?   A . n 
A 1 79  ARG 79  79  ?   ?   ?   A . n 
A 1 80  SER 80  80  ?   ?   ?   A . n 
A 1 81  VAL 81  81  81  VAL VAL A . n 
A 1 82  GLY 82  82  82  GLY GLY A . n 
A 1 83  SER 83  83  83  SER SER A . n 
A 1 84  LEU 84  84  84  LEU LEU A . n 
A 1 85  GLY 85  85  85  GLY GLY A . n 
A 1 86  ASN 86  86  86  ASN ASN A . n 
A 1 87  VAL 87  87  87  VAL VAL A . n 
A 1 88  THR 88  88  88  THR THR A . n 
A 1 89  ALA 89  89  89  ALA ALA A . n 
A 1 90  ASP 90  90  90  ASP ASP A . n 
A 1 91  LYS 91  91  91  LYS LYS A . n 
A 1 92  ASP 92  92  92  ASP ASP A . n 
A 1 93  GLY 93  93  93  GLY GLY A . n 
A 1 94  VAL 94  94  94  VAL VAL A . n 
A 1 95  ALA 95  95  95  ALA ALA A . n 
A 1 96  ASP 96  96  96  ASP ASP A . n 
A 1 97  VAL 97  97  97  VAL VAL A . n 
A 1 98  SER 98  98  98  SER SER A . n 
A 1 99  ILE 99  99  99  ILE ILE A . n 
A 1 100 GLU 100 100 100 GLU GLU A . n 
A 1 101 ASP 101 101 101 ASP ASP A . n 
A 1 102 SER 102 102 102 SER SER A . n 
A 1 103 VAL 103 103 103 VAL VAL A . n 
A 1 104 ILE 104 104 104 ILE ILE A . n 
A 1 105 SER 105 105 105 SER SER A . n 
A 1 106 LEU 106 106 106 LEU LEU A . n 
A 1 107 SER 107 107 107 SER SER A . n 
A 1 108 GLY 108 108 108 GLY GLY A . n 
A 1 109 ASP 109 109 109 ASP ASP A . n 
A 1 110 HIS 110 110 110 HIS HIS A . n 
A 1 111 ALA 111 111 111 ALA ALA A . n 
A 1 112 ILE 112 112 112 ILE ILE A . n 
A 1 113 ILE 113 113 113 ILE ILE A . n 
A 1 114 GLY 114 114 114 GLY GLY A . n 
A 1 115 ARG 115 115 115 ARG ARG A . n 
A 1 116 THR 116 116 116 THR THR A . n 
A 1 117 LEU 117 117 117 LEU LEU A . n 
A 1 118 VAL 118 118 118 VAL VAL A . n 
A 1 119 VAL 119 119 119 VAL VAL A . n 
A 1 120 HIS 120 120 120 HIS HIS A . n 
A 1 121 GLU 121 121 121 GLU GLU A . n 
A 1 122 LYS 122 122 122 LYS LYS A . n 
A 1 123 ALA 123 123 123 ALA ALA A . n 
A 1 124 ASP 124 124 124 ASP ASP A . n 
A 1 125 ASP 125 125 125 ASP ASP A . n 
A 1 126 LEU 126 126 126 LEU LEU A . n 
A 1 127 GLY 127 127 127 GLY GLY A . n 
A 1 128 LYS 128 128 128 LYS LYS A . n 
A 1 129 GLY 129 129 129 GLY GLY A . n 
A 1 130 GLY 130 130 130 GLY GLY A . n 
A 1 131 ASN 131 131 131 ASN ASN A . n 
A 1 132 GLU 132 132 ?   ?   ?   A . n 
A 1 133 GLU 133 133 ?   ?   ?   A . n 
A 1 134 SER 134 134 ?   ?   ?   A . n 
A 1 135 THR 135 135 ?   ?   ?   A . n 
A 1 136 LYS 136 136 ?   ?   ?   A . n 
A 1 137 THR 137 137 ?   ?   ?   A . n 
A 1 138 GLY 138 138 ?   ?   ?   A . n 
A 1 139 ASN 139 139 139 ASN ASN A . n 
A 1 140 ALA 140 140 140 ALA ALA A . n 
A 1 141 GLY 141 141 141 GLY GLY A . n 
A 1 142 SER 142 142 142 SER SER A . n 
A 1 143 ARG 143 143 143 ARG ARG A . n 
A 1 144 LEU 144 144 144 LEU LEU A . n 
A 1 145 ALA 145 145 145 ALA ALA A . n 
A 1 146 CYS 146 146 146 CYS CYS A . n 
A 1 147 GLY 147 147 147 GLY GLY A . n 
A 1 148 VAL 148 148 148 VAL VAL A . n 
A 1 149 ILE 149 149 149 ILE ILE A . n 
A 1 150 GLY 150 150 150 GLY GLY A . n 
A 1 151 ILE 151 151 151 ILE ILE A . n 
A 1 152 ALA 152 152 152 ALA ALA A . n 
A 1 153 GLN 153 153 ?   ?   ?   A . n 
# 
loop_
_pdbx_nonpoly_scheme.asym_id 
_pdbx_nonpoly_scheme.entity_id 
_pdbx_nonpoly_scheme.mon_id 
_pdbx_nonpoly_scheme.ndb_seq_num 
_pdbx_nonpoly_scheme.pdb_seq_num 
_pdbx_nonpoly_scheme.auth_seq_num 
_pdbx_nonpoly_scheme.pdb_mon_id 
_pdbx_nonpoly_scheme.auth_mon_id 
_pdbx_nonpoly_scheme.pdb_strand_id 
_pdbx_nonpoly_scheme.pdb_ins_code 
B 2 ZN  1  154 154 ZN  ZN  A . 
C 2 ZN  1  155 155 ZN  ZN  A . 
D 2 ZN  1  156 156 ZN  ZN  A . 
E 2 ZN  1  158 158 ZN  ZN  A . 
F 2 ZN  1  159 159 ZN  ZN  A . 
G 3 HOH 1  201 201 HOH HOH A . 
G 3 HOH 2  202 202 HOH HOH A . 
G 3 HOH 3  203 203 HOH HOH A . 
G 3 HOH 4  204 204 HOH HOH A . 
G 3 HOH 5  205 205 HOH HOH A . 
G 3 HOH 6  206 206 HOH HOH A . 
G 3 HOH 7  207 207 HOH HOH A . 
G 3 HOH 8  208 208 HOH HOH A . 
G 3 HOH 9  209 209 HOH HOH A . 
G 3 HOH 10 210 210 HOH HOH A . 
G 3 HOH 11 211 211 HOH HOH A . 
G 3 HOH 12 212 212 HOH HOH A . 
G 3 HOH 13 213 213 HOH HOH A . 
G 3 HOH 14 214 214 HOH HOH A . 
G 3 HOH 15 215 215 HOH HOH A . 
G 3 HOH 16 216 216 HOH HOH A . 
G 3 HOH 17 217 217 HOH HOH A . 
G 3 HOH 18 218 218 HOH HOH A . 
G 3 HOH 19 219 219 HOH HOH A . 
G 3 HOH 20 220 220 HOH HOH A . 
G 3 HOH 21 221 221 HOH HOH A . 
G 3 HOH 22 222 222 HOH HOH A . 
G 3 HOH 23 223 223 HOH HOH A . 
G 3 HOH 24 224 224 HOH HOH A . 
G 3 HOH 25 225 225 HOH HOH A . 
G 3 HOH 26 226 226 HOH HOH A . 
G 3 HOH 27 227 227 HOH HOH A . 
G 3 HOH 28 228 228 HOH HOH A . 
# 
loop_
_pdbx_struct_assembly.id 
_pdbx_struct_assembly.details 
_pdbx_struct_assembly.method_details 
_pdbx_struct_assembly.oligomeric_details 
_pdbx_struct_assembly.oligomeric_count 
1 author_defined_assembly   ?    monomeric 1 
2 software_defined_assembly PISA dimeric   2 
# 
loop_
_pdbx_struct_assembly_gen.assembly_id 
_pdbx_struct_assembly_gen.oper_expression 
_pdbx_struct_assembly_gen.asym_id_list 
1 1   A,B,C,D,E,F,G 
2 1,2 A,B,C,D,E,F,G 
# 
loop_
_pdbx_struct_assembly_prop.biol_id 
_pdbx_struct_assembly_prop.type 
_pdbx_struct_assembly_prop.value 
_pdbx_struct_assembly_prop.details 
2 'ABSA (A^2)' 1130  ? 
2 MORE         -6    ? 
2 'SSA (A^2)'  11820 ? 
# 
loop_
_pdbx_struct_oper_list.id 
_pdbx_struct_oper_list.type 
_pdbx_struct_oper_list.name 
_pdbx_struct_oper_list.symmetry_operation 
_pdbx_struct_oper_list.matrix[1][1] 
_pdbx_struct_oper_list.matrix[1][2] 
_pdbx_struct_oper_list.matrix[1][3] 
_pdbx_struct_oper_list.vector[1] 
_pdbx_struct_oper_list.matrix[2][1] 
_pdbx_struct_oper_list.matrix[2][2] 
_pdbx_struct_oper_list.matrix[2][3] 
_pdbx_struct_oper_list.vector[2] 
_pdbx_struct_oper_list.matrix[3][1] 
_pdbx_struct_oper_list.matrix[3][2] 
_pdbx_struct_oper_list.matrix[3][3] 
_pdbx_struct_oper_list.vector[3] 
1 'identity operation'         1_555 x,y,z          1.0000000000  0.0000000000  0.0000000000 0.0000000000 0.0000000000  
1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000  0.0000000000  
2 'crystal symmetry operation' 6_555 -x,-x+y,-z+1/3 -0.5000000000 -0.8660254038 0.0000000000 0.0000000000 -0.8660254038 
0.5000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -1.0000000000 48.1300000000 
# 
loop_
_pdbx_struct_conn_angle.id 
_pdbx_struct_conn_angle.ptnr1_label_atom_id 
_pdbx_struct_conn_angle.ptnr1_label_alt_id 
_pdbx_struct_conn_angle.ptnr1_label_asym_id 
_pdbx_struct_conn_angle.ptnr1_label_comp_id 
_pdbx_struct_conn_angle.ptnr1_label_seq_id 
_pdbx_struct_conn_angle.ptnr1_auth_atom_id 
_pdbx_struct_conn_angle.ptnr1_auth_asym_id 
_pdbx_struct_conn_angle.ptnr1_auth_comp_id 
_pdbx_struct_conn_angle.ptnr1_auth_seq_id 
_pdbx_struct_conn_angle.ptnr1_PDB_ins_code 
_pdbx_struct_conn_angle.ptnr1_symmetry 
_pdbx_struct_conn_angle.ptnr2_label_atom_id 
_pdbx_struct_conn_angle.ptnr2_label_alt_id 
_pdbx_struct_conn_angle.ptnr2_label_asym_id 
_pdbx_struct_conn_angle.ptnr2_label_comp_id 
_pdbx_struct_conn_angle.ptnr2_label_seq_id 
_pdbx_struct_conn_angle.ptnr2_auth_atom_id 
_pdbx_struct_conn_angle.ptnr2_auth_asym_id 
_pdbx_struct_conn_angle.ptnr2_auth_comp_id 
_pdbx_struct_conn_angle.ptnr2_auth_seq_id 
_pdbx_struct_conn_angle.ptnr2_PDB_ins_code 
_pdbx_struct_conn_angle.ptnr2_symmetry 
_pdbx_struct_conn_angle.ptnr3_label_atom_id 
_pdbx_struct_conn_angle.ptnr3_label_alt_id 
_pdbx_struct_conn_angle.ptnr3_label_asym_id 
_pdbx_struct_conn_angle.ptnr3_label_comp_id 
_pdbx_struct_conn_angle.ptnr3_label_seq_id 
_pdbx_struct_conn_angle.ptnr3_auth_atom_id 
_pdbx_struct_conn_angle.ptnr3_auth_asym_id 
_pdbx_struct_conn_angle.ptnr3_auth_comp_id 
_pdbx_struct_conn_angle.ptnr3_auth_seq_id 
_pdbx_struct_conn_angle.ptnr3_PDB_ins_code 
_pdbx_struct_conn_angle.ptnr3_symmetry 
_pdbx_struct_conn_angle.value 
_pdbx_struct_conn_angle.value_esd 
1  N   ? A ALA 1   ? A ALA 1   ? 1_555 ZN ? D ZN . ? A ZN 156 ? 1_555 O   ? A ALA 1   ? A ALA 1   ? 1_555 77.7  ? 
2  N   ? A ALA 1   ? A ALA 1   ? 1_555 ZN ? D ZN . ? A ZN 156 ? 1_555 O   ? G HOH .   ? A HOH 206 ? 1_555 87.1  ? 
3  O   ? A ALA 1   ? A ALA 1   ? 1_555 ZN ? D ZN . ? A ZN 156 ? 1_555 O   ? G HOH .   ? A HOH 206 ? 1_555 163.7 ? 
4  N   ? A ALA 1   ? A ALA 1   ? 1_555 ZN ? D ZN . ? A ZN 156 ? 1_555 O   ? G HOH .   ? A HOH 209 ? 1_555 108.8 ? 
5  O   ? A ALA 1   ? A ALA 1   ? 1_555 ZN ? D ZN . ? A ZN 156 ? 1_555 O   ? G HOH .   ? A HOH 209 ? 1_555 94.6  ? 
6  O   ? G HOH .   ? A HOH 206 ? 1_555 ZN ? D ZN . ? A ZN 156 ? 1_555 O   ? G HOH .   ? A HOH 209 ? 1_555 95.9  ? 
7  ND1 ? A HIS 46  ? A HIS 46  ? 1_555 ZN ? B ZN . ? A ZN 154 ? 1_555 NE2 ? A HIS 120 ? A HIS 120 ? 1_555 98.8  ? 
8  ND1 ? A HIS 46  ? A HIS 46  ? 1_555 ZN ? B ZN . ? A ZN 154 ? 1_555 O   ? G HOH .   ? A HOH 211 ? 1_555 95.7  ? 
9  NE2 ? A HIS 120 ? A HIS 120 ? 1_555 ZN ? B ZN . ? A ZN 154 ? 1_555 O   ? G HOH .   ? A HOH 211 ? 1_555 104.8 ? 
10 OD2 ? A ASP 90  ? A ASP 90  ? 1_555 ZN ? C ZN . ? A ZN 155 ? 1_555 O   ? G HOH .   ? A HOH 208 ? 1_555 111.9 ? 
11 OD2 ? A ASP 125 ? A ASP 125 ? 1_555 ZN ? F ZN . ? A ZN 159 ? 1_555 O   ? G HOH .   ? A HOH 219 ? 1_555 114.5 ? 
# 
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 2009-06-16 
2 'Structure model' 1 1 2011-07-13 
3 'Structure model' 1 2 2017-11-01 
4 'Structure model' 1 3 2021-11-10 
# 
_pdbx_audit_revision_details.ordinal             1 
_pdbx_audit_revision_details.revision_ordinal    1 
_pdbx_audit_revision_details.data_content_type   'Structure model' 
_pdbx_audit_revision_details.provider            repository 
_pdbx_audit_revision_details.type                'Initial release' 
_pdbx_audit_revision_details.description         ? 
_pdbx_audit_revision_details.details             ? 
# 
loop_
_pdbx_audit_revision_group.ordinal 
_pdbx_audit_revision_group.revision_ordinal 
_pdbx_audit_revision_group.data_content_type 
_pdbx_audit_revision_group.group 
1 2 'Structure model' Advisory                    
2 2 'Structure model' 'Refinement description'    
3 2 'Structure model' 'Version format compliance' 
4 3 'Structure model' 'Data collection'           
5 3 'Structure model' 'Refinement description'    
6 4 'Structure model' 'Database references'       
7 4 'Structure model' 'Derived calculations'      
# 
loop_
_pdbx_audit_revision_category.ordinal 
_pdbx_audit_revision_category.revision_ordinal 
_pdbx_audit_revision_category.data_content_type 
_pdbx_audit_revision_category.category 
1 3 'Structure model' diffrn_source      
2 3 'Structure model' software           
3 4 'Structure model' database_2         
4 4 'Structure model' struct_ref_seq_dif 
5 4 'Structure model' struct_site        
# 
loop_
_pdbx_audit_revision_item.ordinal 
_pdbx_audit_revision_item.revision_ordinal 
_pdbx_audit_revision_item.data_content_type 
_pdbx_audit_revision_item.item 
1 3 'Structure model' '_diffrn_source.pdbx_synchrotron_site' 
2 3 'Structure model' '_software.name'                       
3 4 'Structure model' '_database_2.pdbx_DOI'                 
4 4 'Structure model' '_database_2.pdbx_database_accession'  
5 4 'Structure model' '_struct_ref_seq_dif.details'          
6 4 'Structure model' '_struct_site.pdbx_auth_asym_id'       
7 4 'Structure model' '_struct_site.pdbx_auth_comp_id'       
8 4 'Structure model' '_struct_site.pdbx_auth_seq_id'        
# 
_pdbx_refine_tls.pdbx_refine_id   'X-RAY DIFFRACTION' 
_pdbx_refine_tls.id               1 
_pdbx_refine_tls.details          ? 
_pdbx_refine_tls.method           refined 
_pdbx_refine_tls.origin_x         15.1292 
_pdbx_refine_tls.origin_y         -15.9840 
_pdbx_refine_tls.origin_z         10.2232 
_pdbx_refine_tls.T[1][1]          0.0363 
_pdbx_refine_tls.T[2][2]          0.0721 
_pdbx_refine_tls.T[3][3]          0.0888 
_pdbx_refine_tls.T[1][2]          -0.0429 
_pdbx_refine_tls.T[1][3]          0.0156 
_pdbx_refine_tls.T[2][3]          -0.0026 
_pdbx_refine_tls.L[1][1]          2.2575 
_pdbx_refine_tls.L[2][2]          3.2447 
_pdbx_refine_tls.L[3][3]          5.6545 
_pdbx_refine_tls.L[1][2]          -0.1098 
_pdbx_refine_tls.L[1][3]          0.5447 
_pdbx_refine_tls.L[2][3]          -1.4004 
_pdbx_refine_tls.S[1][1]          -0.0025 
_pdbx_refine_tls.S[2][2]          -0.0899 
_pdbx_refine_tls.S[3][3]          0.0925 
_pdbx_refine_tls.S[1][2]          -0.1628 
_pdbx_refine_tls.S[1][3]          0.0625 
_pdbx_refine_tls.S[2][3]          -0.1844 
_pdbx_refine_tls.S[2][1]          -0.0368 
_pdbx_refine_tls.S[3][1]          -0.1830 
_pdbx_refine_tls.S[3][2]          0.2118 
# 
_pdbx_refine_tls_group.pdbx_refine_id      'X-RAY DIFFRACTION' 
_pdbx_refine_tls_group.id                  1 
_pdbx_refine_tls_group.refine_tls_id       1 
_pdbx_refine_tls_group.beg_auth_asym_id    A 
_pdbx_refine_tls_group.beg_auth_seq_id     1 
_pdbx_refine_tls_group.end_auth_asym_id    A 
_pdbx_refine_tls_group.end_auth_seq_id     152 
_pdbx_refine_tls_group.selection_details   ? 
_pdbx_refine_tls_group.beg_label_asym_id   . 
_pdbx_refine_tls_group.beg_label_seq_id    . 
_pdbx_refine_tls_group.end_label_asym_id   . 
_pdbx_refine_tls_group.end_label_seq_id    . 
_pdbx_refine_tls_group.selection           ? 
# 
loop_
_software.name 
_software.classification 
_software.version 
_software.citation_id 
_software.pdbx_ordinal 
MAR345 'data collection' .        ? 1 
PHASER phasing           .        ? 2 
REFMAC refinement        5.5.0044 ? 3 
XDS    'data reduction'  .        ? 4 
XDS    'data scaling'    .        ? 5 
# 
_pdbx_validate_close_contact.id               1 
_pdbx_validate_close_contact.PDB_model_num    1 
_pdbx_validate_close_contact.auth_atom_id_1   O 
_pdbx_validate_close_contact.auth_asym_id_1   A 
_pdbx_validate_close_contact.auth_comp_id_1   HIS 
_pdbx_validate_close_contact.auth_seq_id_1    110 
_pdbx_validate_close_contact.PDB_ins_code_1   ? 
_pdbx_validate_close_contact.label_alt_id_1   ? 
_pdbx_validate_close_contact.auth_atom_id_2   O 
_pdbx_validate_close_contact.auth_asym_id_2   A 
_pdbx_validate_close_contact.auth_comp_id_2   HOH 
_pdbx_validate_close_contact.auth_seq_id_2    224 
_pdbx_validate_close_contact.PDB_ins_code_2   ? 
_pdbx_validate_close_contact.label_alt_id_2   ? 
_pdbx_validate_close_contact.dist             2.13 
# 
_pdbx_validate_torsion.id              1 
_pdbx_validate_torsion.PDB_model_num   1 
_pdbx_validate_torsion.auth_comp_id    HIS 
_pdbx_validate_torsion.auth_asym_id    A 
_pdbx_validate_torsion.auth_seq_id     110 
_pdbx_validate_torsion.PDB_ins_code    ? 
_pdbx_validate_torsion.label_alt_id    ? 
_pdbx_validate_torsion.phi             -118.07 
_pdbx_validate_torsion.psi             50.16 
# 
loop_
_pdbx_unobs_or_zero_occ_atoms.id 
_pdbx_unobs_or_zero_occ_atoms.PDB_model_num 
_pdbx_unobs_or_zero_occ_atoms.polymer_flag 
_pdbx_unobs_or_zero_occ_atoms.occupancy_flag 
_pdbx_unobs_or_zero_occ_atoms.auth_asym_id 
_pdbx_unobs_or_zero_occ_atoms.auth_comp_id 
_pdbx_unobs_or_zero_occ_atoms.auth_seq_id 
_pdbx_unobs_or_zero_occ_atoms.PDB_ins_code 
_pdbx_unobs_or_zero_occ_atoms.auth_atom_id 
_pdbx_unobs_or_zero_occ_atoms.label_alt_id 
_pdbx_unobs_or_zero_occ_atoms.label_asym_id 
_pdbx_unobs_or_zero_occ_atoms.label_comp_id 
_pdbx_unobs_or_zero_occ_atoms.label_seq_id 
_pdbx_unobs_or_zero_occ_atoms.label_atom_id 
1 1 Y 1 A LYS 122 ? CD ? A LYS 122 CD 
2 1 Y 1 A LYS 122 ? CE ? A LYS 122 CE 
3 1 Y 1 A LYS 122 ? NZ ? A LYS 122 NZ 
# 
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 GLU 51  ? A GLU 51  
2  1 Y 1 A ASP 52  ? A ASP 52  
3  1 Y 1 A ASN 53  ? A ASN 53  
4  1 Y 1 A THR 54  ? A THR 54  
5  1 Y 1 A ALA 55  ? A ALA 55  
6  1 Y 1 A GLY 56  ? A GLY 56  
7  1 Y 1 A CYS 57  ? A CYS 57  
8  1 Y 1 A THR 58  ? A THR 58  
9  1 Y 1 A SER 59  ? A SER 59  
10 1 Y 1 A ALA 60  ? A ALA 60  
11 1 Y 1 A GLY 61  ? A GLY 61  
12 1 Y 1 A PRO 62  ? A PRO 62  
13 1 Y 1 A SER 63  ? A SER 63  
14 1 Y 1 A PHE 64  ? A PHE 64  
15 1 Y 1 A ASN 65  ? A ASN 65  
16 1 Y 1 A PRO 66  ? A PRO 66  
17 1 Y 1 A LEU 67  ? A LEU 67  
18 1 Y 1 A SER 68  ? A SER 68  
19 1 Y 1 A ARG 69  ? A ARG 69  
20 1 Y 1 A LYS 70  ? A LYS 70  
21 1 Y 1 A SER 71  ? A SER 71  
22 1 Y 1 A GLY 72  ? A GLY 72  
23 1 Y 1 A GLY 73  ? A GLY 73  
24 1 Y 1 A PRO 74  ? A PRO 74  
25 1 Y 1 A LYS 75  ? A LYS 75  
26 1 Y 1 A ASP 76  ? A ASP 76  
27 1 Y 1 A GLU 77  ? A GLU 77  
28 1 Y 1 A GLU 78  ? A GLU 78  
29 1 Y 1 A ARG 79  ? A ARG 79  
30 1 Y 1 A SER 80  ? A SER 80  
31 1 Y 1 A GLU 132 ? A GLU 132 
32 1 Y 1 A GLU 133 ? A GLU 133 
33 1 Y 1 A SER 134 ? A SER 134 
34 1 Y 1 A THR 135 ? A THR 135 
35 1 Y 1 A LYS 136 ? A LYS 136 
36 1 Y 1 A THR 137 ? A THR 137 
37 1 Y 1 A GLY 138 ? A GLY 138 
38 1 Y 1 A GLN 153 ? A GLN 153 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
2 'ZINC ION' ZN  
3 water      HOH 
# 
