data_5J0C
# 
_entry.id   5J0C 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.287 
_audit_conform.dict_location   http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic 
# 
loop_
_database_2.database_id 
_database_2.database_code 
PDB   5J0C         
WWPDB D_1000219759 
# 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.entry_id                        5J0C 
_pdbx_database_status.recvd_initial_deposition_date   2016-03-28 
_pdbx_database_status.SG_entry                        N 
_pdbx_database_status.deposit_site                    RCSB 
_pdbx_database_status.process_site                    PDBE 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.methods_development_category    ? 
_pdbx_database_status.pdb_format_compatible           Y 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
'Wang, H.'       1 
'Lang, L.'       2 
'Logan, D.'      3 
'Danielsson, J.' 4 
'Oliveberg, M.'  5 
# 
_citation.abstract                  ? 
_citation.abstract_id_CAS           ? 
_citation.book_id_ISBN              ? 
_citation.book_publisher            ? 
_citation.book_publisher_city       ? 
_citation.book_title                ? 
_citation.coordinate_linkage        ? 
_citation.country                   US 
_citation.database_id_Medline       ? 
_citation.details                   ? 
_citation.id                        primary 
_citation.journal_abbrev            'J. Am. Chem. Soc.' 
_citation.journal_id_ASTM           JACSAT 
_citation.journal_id_CSD            ? 
_citation.journal_id_ISSN           1520-5126 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            138 
_citation.language                  ? 
_citation.page_first                15571 
_citation.page_last                 15579 
_citation.title                     'Tricking a Protein To Swap Strands.' 
_citation.year                      2016 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      10.1021/jacs.6b05151 
_citation.pdbx_database_id_PubMed   27783493 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
primary 'Wang, H.'       1 
primary 'Lang, L.'       2 
primary 'Logan, D.T.'    3 
primary 'Danielsson, J.' 4 
primary 'Oliveberg, M.'  5 
# 
_cell.angle_alpha                  90.000 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   90.000 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  120.000 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     5J0C 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     73.310 
_cell.length_a_esd                 ? 
_cell.length_b                     73.310 
_cell.length_b_esd                 ? 
_cell.length_c                     68.680 
_cell.length_c_esd                 ? 
_cell.volume                       ? 
_cell.volume_esd                   ? 
_cell.Z_PDB                        12 
_cell.reciprocal_angle_alpha       ? 
_cell.reciprocal_angle_beta        ? 
_cell.reciprocal_angle_gamma       ? 
_cell.reciprocal_angle_alpha_esd   ? 
_cell.reciprocal_angle_beta_esd    ? 
_cell.reciprocal_angle_gamma_esd   ? 
_cell.reciprocal_length_a          ? 
_cell.reciprocal_length_b          ? 
_cell.reciprocal_length_c          ? 
_cell.reciprocal_length_a_esd      ? 
_cell.reciprocal_length_b_esd      ? 
_cell.reciprocal_length_c_esd      ? 
_cell.pdbx_unique_axis             ? 
# 
_symmetry.entry_id                         5J0C 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                170 
_symmetry.space_group_name_Hall            ? 
_symmetry.space_group_name_H-M             'P 65' 
_symmetry.pdbx_full_space_group_name_H-M   ? 
# 
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],Superoxide dismutase [Cu-Zn],OXIDOREDUCTASE,Superoxide dismutase [Cu-Zn]' 11277.669 2 
1.15.1.1,1.15.1.1,1.15.1.1 ? ? ? 
2 water   nat water                                                                                                   18.015    
192 ?                          ? ? ? 
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        'Superoxide dismutase 1,hSod1,Superoxide dismutase 1,hSod1,Superoxide dismutase 1,hSod1' 
# 
_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       
;MAPVKVWGSIKGLTEGLHGFHVHGAGGDLGNVTADKDGVADVSIEDSVISLSGDHSIIGRTLVVHEKAGAGAGSRLASGV
IGIAQAGAGATKAVAVLKGDGPVQGIINFEQKES
;
_entity_poly.pdbx_seq_one_letter_code_can   
;MAPVKVWGSIKGLTEGLHGFHVHGAGGDLGNVTADKDGVADVSIEDSVISLSGDHSIIGRTLVVHEKAGAGAGSRLASGV
IGIAQAGAGATKAVAVLKGDGPVQGIINFEQKES
;
_entity_poly.pdbx_strand_id                 A,B 
_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   MET n 
1 2   ALA n 
1 3   PRO n 
1 4   VAL n 
1 5   LYS n 
1 6   VAL n 
1 7   TRP n 
1 8   GLY n 
1 9   SER n 
1 10  ILE n 
1 11  LYS n 
1 12  GLY n 
1 13  LEU n 
1 14  THR n 
1 15  GLU n 
1 16  GLY n 
1 17  LEU n 
1 18  HIS n 
1 19  GLY n 
1 20  PHE n 
1 21  HIS n 
1 22  VAL n 
1 23  HIS n 
1 24  GLY n 
1 25  ALA n 
1 26  GLY n 
1 27  GLY n 
1 28  ASP n 
1 29  LEU n 
1 30  GLY n 
1 31  ASN n 
1 32  VAL n 
1 33  THR n 
1 34  ALA n 
1 35  ASP n 
1 36  LYS n 
1 37  ASP n 
1 38  GLY n 
1 39  VAL n 
1 40  ALA n 
1 41  ASP n 
1 42  VAL n 
1 43  SER n 
1 44  ILE n 
1 45  GLU n 
1 46  ASP n 
1 47  SER n 
1 48  VAL n 
1 49  ILE n 
1 50  SER n 
1 51  LEU n 
1 52  SER n 
1 53  GLY n 
1 54  ASP n 
1 55  HIS n 
1 56  SER n 
1 57  ILE n 
1 58  ILE n 
1 59  GLY n 
1 60  ARG n 
1 61  THR n 
1 62  LEU n 
1 63  VAL n 
1 64  VAL n 
1 65  HIS n 
1 66  GLU n 
1 67  LYS n 
1 68  ALA n 
1 69  GLY n 
1 70  ALA n 
1 71  GLY n 
1 72  ALA n 
1 73  GLY n 
1 74  SER n 
1 75  ARG n 
1 76  LEU n 
1 77  ALA n 
1 78  SER n 
1 79  GLY n 
1 80  VAL n 
1 81  ILE n 
1 82  GLY n 
1 83  ILE n 
1 84  ALA n 
1 85  GLN n 
1 86  ALA n 
1 87  GLY n 
1 88  ALA n 
1 89  GLY n 
1 90  ALA n 
1 91  THR n 
1 92  LYS n 
1 93  ALA n 
1 94  VAL n 
1 95  ALA n 
1 96  VAL n 
1 97  LEU n 
1 98  LYS n 
1 99  GLY n 
1 100 ASP n 
1 101 GLY n 
1 102 PRO n 
1 103 VAL n 
1 104 GLN n 
1 105 GLY n 
1 106 ILE n 
1 107 ILE n 
1 108 ASN n 
1 109 PHE n 
1 110 GLU n 
1 111 GLN n 
1 112 LYS n 
1 113 GLU n 
1 114 SER n 
# 
loop_
_entity_src_gen.entity_id 
_entity_src_gen.pdbx_src_id 
_entity_src_gen.pdbx_alt_source_flag 
_entity_src_gen.pdbx_seq_type 
_entity_src_gen.pdbx_beg_seq_num 
_entity_src_gen.pdbx_end_seq_num 
_entity_src_gen.gene_src_common_name 
_entity_src_gen.gene_src_genus 
_entity_src_gen.pdbx_gene_src_gene 
_entity_src_gen.gene_src_species 
_entity_src_gen.gene_src_strain 
_entity_src_gen.gene_src_tissue 
_entity_src_gen.gene_src_tissue_fraction 
_entity_src_gen.gene_src_details 
_entity_src_gen.pdbx_gene_src_fragment 
_entity_src_gen.pdbx_gene_src_scientific_name 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 
_entity_src_gen.pdbx_gene_src_variant 
_entity_src_gen.pdbx_gene_src_cell_line 
_entity_src_gen.pdbx_gene_src_atcc 
_entity_src_gen.pdbx_gene_src_organ 
_entity_src_gen.pdbx_gene_src_organelle 
_entity_src_gen.pdbx_gene_src_cell 
_entity_src_gen.pdbx_gene_src_cellular_location 
_entity_src_gen.host_org_common_name 
_entity_src_gen.pdbx_host_org_scientific_name 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 
_entity_src_gen.host_org_genus 
_entity_src_gen.pdbx_host_org_gene 
_entity_src_gen.pdbx_host_org_organ 
_entity_src_gen.host_org_species 
_entity_src_gen.pdbx_host_org_tissue 
_entity_src_gen.pdbx_host_org_tissue_fraction 
_entity_src_gen.pdbx_host_org_strain 
_entity_src_gen.pdbx_host_org_variant 
_entity_src_gen.pdbx_host_org_cell_line 
_entity_src_gen.pdbx_host_org_atcc 
_entity_src_gen.pdbx_host_org_culture_collection 
_entity_src_gen.pdbx_host_org_cell 
_entity_src_gen.pdbx_host_org_organelle 
_entity_src_gen.pdbx_host_org_cellular_location 
_entity_src_gen.pdbx_host_org_vector_type 
_entity_src_gen.pdbx_host_org_vector 
_entity_src_gen.host_org_details 
_entity_src_gen.expression_system_id 
_entity_src_gen.plasmid_name 
_entity_src_gen.plasmid_details 
_entity_src_gen.pdbx_description 
1 1 sample 'Biological sequence' 1  23  Human ? SOD1 ? ? ? ? ? ? 'Homo sapiens' 9606 ? ? ? ? ? ? ? ? 'Escherichia coli K-12' 83333 
? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 
1 2 sample 'Biological sequence' 28 68  Human ? SOD1 ? ? ? ? ? ? 'Homo sapiens' 9606 ? ? ? ? ? ? ? ? 'Escherichia coli K-12' 83333 
? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 
1 3 sample 'Biological sequence' 72 85  HUMAN ? ?    ? ? ? ? ? ? 'Homo sapiens' 9606 ? ? ? ? ? ? ? ? 'Escherichia coli K-12' 83333 
? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 
1 4 sample 'Biological sequence' 90 114 Human ? SOD1 ? ? ? ? ? ? 'Homo sapiens' 9606 ? ? ? ? ? ? ? ? 'Escherichia coli K-12' 83333 
? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 
# 
loop_
_struct_ref.id 
_struct_ref.db_name 
_struct_ref.db_code 
_struct_ref.pdbx_db_accession 
_struct_ref.pdbx_db_isoform 
_struct_ref.entity_id 
_struct_ref.pdbx_seq_one_letter_code 
_struct_ref.pdbx_align_begin 
1 UNP SODC_HUMAN P00441 ? 1 PVKVWGSIKGLTEGLHGFHVH                     29 
2 UNP SODC_HUMAN P00441 ? 1 DLGNVTADKDGVADVSIEDSVISLSGDHCIIGRTLVVHEKA 84 
3 PDB 5J0C       5J0C   ? 1 ?                                         72 
4 UNP SODC_HUMAN P00441 ? 1 ATKAVCVLKGDGPVQGIINFEQKES                 2  
# 
loop_
_struct_ref_seq.align_id 
_struct_ref_seq.ref_id 
_struct_ref_seq.pdbx_PDB_id_code 
_struct_ref_seq.pdbx_strand_id 
_struct_ref_seq.seq_align_beg 
_struct_ref_seq.pdbx_seq_align_beg_ins_code 
_struct_ref_seq.seq_align_end 
_struct_ref_seq.pdbx_seq_align_end_ins_code 
_struct_ref_seq.pdbx_db_accession 
_struct_ref_seq.db_align_beg 
_struct_ref_seq.pdbx_db_align_beg_ins_code 
_struct_ref_seq.db_align_end 
_struct_ref_seq.pdbx_db_align_end_ins_code 
_struct_ref_seq.pdbx_auth_seq_align_beg 
_struct_ref_seq.pdbx_auth_seq_align_end 
1 1 5J0C A 3  ? 23  ? P00441 29 ? 49  ? 2  22  
2 2 5J0C A 28 ? 68  ? P00441 84 ? 124 ? 27 67  
3 3 5J0C A 72 ? 85  ? 5J0C   71 ? 84  ? 71 84  
4 4 5J0C A 90 ? 114 ? P00441 2  ? 26  ? 89 113 
5 1 5J0C B 3  ? 23  ? P00441 29 ? 49  ? 2  22  
6 2 5J0C B 28 ? 68  ? P00441 84 ? 124 ? 27 67  
7 3 5J0C B 72 ? 85  ? 5J0C   71 ? 84  ? 71 84  
8 4 5J0C B 90 ? 114 ? P00441 2  ? 26  ? 89 113 
# 
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 5J0C MET A 1  ? UNP P00441 ?   ?   'initiating methionine' 0  1  
1 5J0C ALA A 2  ? UNP P00441 ?   ?   'expression tag'        1  2  
1 5J0C GLY A 24 ? UNP P00441 ?   ?   linker                  23 3  
1 5J0C ALA A 25 ? UNP P00441 ?   ?   linker                  24 4  
1 5J0C GLY A 26 ? UNP P00441 ?   ?   linker                  25 5  
1 5J0C GLY A 27 ? UNP P00441 ?   ?   linker                  26 6  
2 5J0C SER A 56 ? UNP P00441 CYS 112 conflict                55 7  
2 5J0C GLY A 69 ? UNP P00441 ?   ?   linker                  68 8  
2 5J0C ALA A 70 ? UNP P00441 ?   ?   linker                  69 9  
2 5J0C GLY A 71 ? UNP P00441 ?   ?   linker                  70 10 
2 5J0C ALA A 86 ? UNP P00441 ?   ?   linker                  85 11 
2 5J0C GLY A 87 ? UNP P00441 ?   ?   linker                  86 12 
2 5J0C ALA A 88 ? UNP P00441 ?   ?   linker                  87 13 
2 5J0C GLY A 89 ? UNP P00441 ?   ?   linker                  88 14 
4 5J0C ALA A 95 ? UNP P00441 CYS 7   conflict                94 15 
5 5J0C MET B 1  ? UNP P00441 ?   ?   'initiating methionine' 0  16 
5 5J0C ALA B 2  ? UNP P00441 ?   ?   'expression tag'        1  17 
5 5J0C GLY B 24 ? UNP P00441 ?   ?   linker                  23 18 
5 5J0C ALA B 25 ? UNP P00441 ?   ?   linker                  24 19 
5 5J0C GLY B 26 ? UNP P00441 ?   ?   linker                  25 20 
5 5J0C GLY B 27 ? UNP P00441 ?   ?   linker                  26 21 
6 5J0C SER B 56 ? UNP P00441 CYS 112 conflict                55 22 
6 5J0C GLY B 69 ? UNP P00441 ?   ?   linker                  68 23 
6 5J0C ALA B 70 ? UNP P00441 ?   ?   linker                  69 24 
6 5J0C GLY B 71 ? UNP P00441 ?   ?   linker                  70 25 
6 5J0C ALA B 86 ? UNP P00441 ?   ?   linker                  85 26 
6 5J0C GLY B 87 ? UNP P00441 ?   ?   linker                  86 27 
6 5J0C ALA B 88 ? UNP P00441 ?   ?   linker                  87 28 
6 5J0C GLY B 89 ? UNP P00441 ?   ?   linker                  88 29 
8 5J0C ALA B 95 ? UNP P00441 CYS 7   conflict                94 30 
# 
loop_
_chem_comp.id 
_chem_comp.type 
_chem_comp.mon_nstd_flag 
_chem_comp.name 
_chem_comp.pdbx_synonyms 
_chem_comp.formula 
_chem_comp.formula_weight 
ALA 'L-peptide linking' y ALANINE         ? 'C3 H7 N O2'     89.093  
ARG 'L-peptide linking' y ARGININE        ? 'C6 H15 N4 O2 1' 175.209 
ASN 'L-peptide linking' y ASPARAGINE      ? 'C4 H8 N2 O3'    132.118 
ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4'     133.103 
CYS 'L-peptide linking' y CYSTEINE        ? 'C3 H7 N O2 S'   121.158 
GLN 'L-peptide linking' y GLUTAMINE       ? 'C5 H10 N2 O3'   146.144 
GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4'     147.129 
GLY 'peptide linking'   y GLYCINE         ? 'C2 H5 N O2'     75.067  
HIS 'L-peptide linking' y HISTIDINE       ? 'C6 H10 N3 O2 1' 156.162 
HOH non-polymer         . WATER           ? 'H2 O'           18.015  
ILE 'L-peptide linking' y ISOLEUCINE      ? 'C6 H13 N O2'    131.173 
LEU 'L-peptide linking' y LEUCINE         ? 'C6 H13 N O2'    131.173 
LYS 'L-peptide linking' y LYSINE          ? 'C6 H15 N2 O2 1' 147.195 
MET 'L-peptide linking' y METHIONINE      ? 'C5 H11 N O2 S'  149.211 
PHE 'L-peptide linking' y PHENYLALANINE   ? 'C9 H11 N O2'    165.189 
PRO 'L-peptide linking' y PROLINE         ? 'C5 H9 N O2'     115.130 
SER 'L-peptide linking' y SERINE          ? 'C3 H7 N O3'     105.093 
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 
# 
_exptl.absorpt_coefficient_mu     ? 
_exptl.absorpt_correction_T_max   ? 
_exptl.absorpt_correction_T_min   ? 
_exptl.absorpt_correction_type    ? 
_exptl.absorpt_process_details    ? 
_exptl.entry_id                   5J0C 
_exptl.crystals_number            1 
_exptl.details                    ? 
_exptl.method                     'X-RAY DIFFRACTION' 
_exptl.method_details             ? 
# 
_exptl_crystal.colour                      ? 
_exptl_crystal.density_diffrn              ? 
_exptl_crystal.density_Matthews            2.36 
_exptl_crystal.density_method              ? 
_exptl_crystal.density_percent_sol         47.93 
_exptl_crystal.description                 ? 
_exptl_crystal.F_000                       ? 
_exptl_crystal.id                          1 
_exptl_crystal.preparation                 ? 
_exptl_crystal.size_max                    ? 
_exptl_crystal.size_mid                    ? 
_exptl_crystal.size_min                    ? 
_exptl_crystal.size_rad                    ? 
_exptl_crystal.colour_lustre               ? 
_exptl_crystal.colour_modifier             ? 
_exptl_crystal.colour_primary              ? 
_exptl_crystal.density_meas                ? 
_exptl_crystal.density_meas_esd            ? 
_exptl_crystal.density_meas_gt             ? 
_exptl_crystal.density_meas_lt             ? 
_exptl_crystal.density_meas_temp           ? 
_exptl_crystal.density_meas_temp_esd       ? 
_exptl_crystal.density_meas_temp_gt        ? 
_exptl_crystal.density_meas_temp_lt        ? 
_exptl_crystal.pdbx_crystal_image_url      ? 
_exptl_crystal.pdbx_crystal_image_format   ? 
_exptl_crystal.pdbx_mosaicity              ? 
_exptl_crystal.pdbx_mosaicity_esd          ? 
# 
_exptl_crystal_grow.apparatus       ? 
_exptl_crystal_grow.atmosphere      ? 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.details         ? 
_exptl_crystal_grow.method          EVAPORATION 
_exptl_crystal_grow.method_ref      ? 
_exptl_crystal_grow.pH              5 
_exptl_crystal_grow.pressure        ? 
_exptl_crystal_grow.pressure_esd    ? 
_exptl_crystal_grow.seeding         ? 
_exptl_crystal_grow.seeding_ref     ? 
_exptl_crystal_grow.temp            293 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.temp_esd        ? 
_exptl_crystal_grow.time            ? 
_exptl_crystal_grow.pdbx_details    
;0.1 M MIB buffer
pH 5.0
25 % w/v PEG 1500
;
_exptl_crystal_grow.pdbx_pH_range   5 
# 
_diffrn.ambient_environment    ? 
_diffrn.ambient_temp           100 
_diffrn.ambient_temp_details   ? 
_diffrn.ambient_temp_esd       ? 
_diffrn.crystal_id             1 
_diffrn.crystal_support        ? 
_diffrn.crystal_treatment      ? 
_diffrn.details                ? 
_diffrn.id                     1 
_diffrn.ambient_pressure       ? 
_diffrn.ambient_pressure_esd   ? 
_diffrn.ambient_pressure_gt    ? 
_diffrn.ambient_pressure_lt    ? 
_diffrn.ambient_temp_gt        ? 
_diffrn.ambient_temp_lt        ? 
# 
_diffrn_detector.details                      ? 
_diffrn_detector.detector                     CCD 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         MARRESEARCH 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2014-09-11 
# 
_diffrn_radiation.collimation                      ? 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.filter_edge                      ? 
_diffrn_radiation.inhomogeneity                    ? 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.polarisn_norm                    ? 
_diffrn_radiation.polarisn_ratio                   ? 
_diffrn_radiation.probe                            ? 
_diffrn_radiation.type                             ? 
_diffrn_radiation.xray_symbol                      ? 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   M 
_diffrn_radiation.pdbx_wavelength_list             ? 
_diffrn_radiation.pdbx_wavelength                  ? 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_analyzer                    ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   1 
_diffrn_radiation_wavelength.wt           1.0 
# 
_diffrn_source.current                     ? 
_diffrn_source.details                     ? 
_diffrn_source.diffrn_id                   1 
_diffrn_source.power                       ? 
_diffrn_source.size                        ? 
_diffrn_source.source                      SYNCHROTRON 
_diffrn_source.target                      ? 
_diffrn_source.type                        'MAX II BEAMLINE I911-3' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        1 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   I911-3 
_diffrn_source.pdbx_synchrotron_site       'MAX II' 
# 
_reflns.B_iso_Wilson_estimate            ? 
_reflns.entry_id                         5J0C 
_reflns.data_reduction_details           ? 
_reflns.data_reduction_method            ? 
_reflns.d_resolution_high                1.60 
_reflns.d_resolution_low                 24 
_reflns.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.number_all                       ? 
_reflns.number_obs                       27738 
_reflns.observed_criterion               ? 
_reflns.observed_criterion_F_max         ? 
_reflns.observed_criterion_F_min         ? 
_reflns.observed_criterion_I_max         ? 
_reflns.observed_criterion_I_min         ? 
_reflns.observed_criterion_sigma_F       ? 
_reflns.observed_criterion_sigma_I       ? 
_reflns.percent_possible_obs             100 
_reflns.R_free_details                   ? 
_reflns.Rmerge_F_all                     ? 
_reflns.Rmerge_F_obs                     ? 
_reflns.Friedel_coverage                 ? 
_reflns.number_gt                        ? 
_reflns.threshold_expression             ? 
_reflns.pdbx_redundancy                  6.2 
_reflns.pdbx_Rmerge_I_obs                0.078 
_reflns.pdbx_Rmerge_I_all                ? 
_reflns.pdbx_Rsym_value                  ? 
_reflns.pdbx_netI_over_av_sigmaI         ? 
_reflns.pdbx_netI_over_sigmaI            12.9 
_reflns.pdbx_res_netI_over_av_sigmaI_2   ? 
_reflns.pdbx_res_netI_over_sigmaI_2      ? 
_reflns.pdbx_chi_squared                 ? 
_reflns.pdbx_scaling_rejects             ? 
_reflns.pdbx_d_res_high_opt              ? 
_reflns.pdbx_d_res_low_opt               ? 
_reflns.pdbx_d_res_opt_method            ? 
_reflns.phase_calculation_details        ? 
_reflns.pdbx_Rrim_I_all                  ? 
_reflns.pdbx_Rpim_I_all                  ? 
_reflns.pdbx_d_opt                       ? 
_reflns.pdbx_number_measured_all         ? 
_reflns.pdbx_diffrn_id                   1 
_reflns.pdbx_ordinal                     1 
_reflns.pdbx_CC_half                     ? 
_reflns.pdbx_R_split                     ? 
# 
_reflns_shell.d_res_high                  1.60 
_reflns_shell.d_res_low                   1.63 
_reflns_shell.meanI_over_sigI_all         ? 
_reflns_shell.meanI_over_sigI_obs         ? 
_reflns_shell.number_measured_all         ? 
_reflns_shell.number_measured_obs         ? 
_reflns_shell.number_possible             ? 
_reflns_shell.number_unique_all           ? 
_reflns_shell.number_unique_obs           ? 
_reflns_shell.percent_possible_all        ? 
_reflns_shell.percent_possible_obs        ? 
_reflns_shell.Rmerge_F_all                ? 
_reflns_shell.Rmerge_F_obs                ? 
_reflns_shell.Rmerge_I_all                ? 
_reflns_shell.Rmerge_I_obs                0.630 
_reflns_shell.meanI_over_sigI_gt          ? 
_reflns_shell.meanI_over_uI_all           ? 
_reflns_shell.meanI_over_uI_gt            ? 
_reflns_shell.number_measured_gt          ? 
_reflns_shell.number_unique_gt            ? 
_reflns_shell.percent_possible_gt         ? 
_reflns_shell.Rmerge_F_gt                 ? 
_reflns_shell.Rmerge_I_gt                 ? 
_reflns_shell.pdbx_redundancy             ? 
_reflns_shell.pdbx_Rsym_value             ? 
_reflns_shell.pdbx_chi_squared            ? 
_reflns_shell.pdbx_netI_over_sigmaI_all   ? 
_reflns_shell.pdbx_netI_over_sigmaI_obs   ? 
_reflns_shell.pdbx_Rrim_I_all             ? 
_reflns_shell.pdbx_Rpim_I_all             ? 
_reflns_shell.pdbx_rejects                ? 
_reflns_shell.pdbx_ordinal                1 
_reflns_shell.pdbx_diffrn_id              1 
_reflns_shell.pdbx_CC_half                ? 
_reflns_shell.pdbx_R_split                ? 
# 
_refine.aniso_B[1][1]                            0.1300 
_refine.aniso_B[1][2]                            0.1300 
_refine.aniso_B[1][3]                            0.0000 
_refine.aniso_B[2][2]                            0.1300 
_refine.aniso_B[2][3]                            0.0000 
_refine.aniso_B[3][3]                            -0.4200 
_refine.B_iso_max                                90.310 
_refine.B_iso_mean                               23.2380 
_refine.B_iso_min                                8.870 
_refine.correlation_coeff_Fo_to_Fc               0.9710 
_refine.correlation_coeff_Fo_to_Fc_free          0.9580 
_refine.details                                  
'HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS U VALUES      : REFINED INDIVIDUALLY' 
_refine.diff_density_max                         ? 
_refine.diff_density_max_esd                     ? 
_refine.diff_density_min                         ? 
_refine.diff_density_min_esd                     ? 
_refine.diff_density_rms                         ? 
_refine.diff_density_rms_esd                     ? 
_refine.entry_id                                 5J0C 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_abs_structure_details                 ? 
_refine.ls_abs_structure_Flack                   ? 
_refine.ls_abs_structure_Flack_esd               ? 
_refine.ls_abs_structure_Rogers                  ? 
_refine.ls_abs_structure_Rogers_esd              ? 
_refine.ls_d_res_high                            1.6000 
_refine.ls_d_res_low                             23.3200 
_refine.ls_extinction_coef                       ? 
_refine.ls_extinction_coef_esd                   ? 
_refine.ls_extinction_expression                 ? 
_refine.ls_extinction_method                     ? 
_refine.ls_goodness_of_fit_all                   ? 
_refine.ls_goodness_of_fit_all_esd               ? 
_refine.ls_goodness_of_fit_obs                   ? 
_refine.ls_goodness_of_fit_obs_esd               ? 
_refine.ls_hydrogen_treatment                    ? 
_refine.ls_matrix_type                           ? 
_refine.ls_number_constraints                    ? 
_refine.ls_number_parameters                     ? 
_refine.ls_number_reflns_all                     ? 
_refine.ls_number_reflns_obs                     26317 
_refine.ls_number_reflns_R_free                  1384 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.8900 
_refine.ls_percent_reflns_R_free                 5.0000 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.1458 
_refine.ls_R_factor_R_free                       0.1863 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.1436 
_refine.ls_R_Fsqd_factor_obs                     ? 
_refine.ls_R_I_factor_obs                        ? 
_refine.ls_redundancy_reflns_all                 ? 
_refine.ls_redundancy_reflns_obs                 ? 
_refine.ls_restrained_S_all                      ? 
_refine.ls_restrained_S_obs                      ? 
_refine.ls_shift_over_esd_max                    ? 
_refine.ls_shift_over_esd_mean                   ? 
_refine.ls_structure_factor_coef                 ? 
_refine.ls_weighting_details                     ? 
_refine.ls_weighting_scheme                      ? 
_refine.ls_wR_factor_all                         ? 
_refine.ls_wR_factor_obs                         ? 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_wR_factor_R_work                      ? 
_refine.occupancy_max                            ? 
_refine.occupancy_min                            ? 
_refine.solvent_model_details                    ? 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.ls_R_factor_gt                           ? 
_refine.ls_goodness_of_fit_gt                    ? 
_refine.ls_goodness_of_fit_ref                   ? 
_refine.ls_shift_over_su_max                     ? 
_refine.ls_shift_over_su_max_lt                  ? 
_refine.ls_shift_over_su_mean                    ? 
_refine.ls_shift_over_su_mean_lt                 ? 
_refine.pdbx_ls_sigma_I                          ? 
_refine.pdbx_ls_sigma_F                          0.000 
_refine.pdbx_ls_sigma_Fsqd                       ? 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.pdbx_ls_cross_valid_method               THROUGHOUT 
_refine.pdbx_method_to_determine_struct          'MOLECULAR REPLACEMENT' 
_refine.pdbx_starting_model                      4BCZ 
_refine.pdbx_stereochemistry_target_values       ? 
_refine.pdbx_R_Free_selection_details            RANDOM 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_overall_ESU_R                       0.0970 
_refine.pdbx_overall_ESU_R_Free                  0.0790 
_refine.pdbx_solvent_vdw_probe_radii             1.2000 
_refine.pdbx_solvent_ion_probe_radii             0.8000 
_refine.pdbx_solvent_shrinkage_radii             0.8000 
_refine.pdbx_real_space_R                        ? 
_refine.pdbx_density_correlation                 ? 
_refine.pdbx_pd_number_of_powder_patterns        ? 
_refine.pdbx_pd_number_of_points                 ? 
_refine.pdbx_pd_meas_number_of_points            ? 
_refine.pdbx_pd_proc_ls_prof_R_factor            ? 
_refine.pdbx_pd_proc_ls_prof_wR_factor           ? 
_refine.pdbx_pd_Marquardt_correlation_coeff      ? 
_refine.pdbx_pd_Fsqrd_R_factor                   ? 
_refine.pdbx_pd_ls_matrix_band_width             ? 
_refine.pdbx_overall_phase_error                 ? 
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI   ? 
_refine.pdbx_overall_SU_R_free_Blow_DPI          ? 
_refine.pdbx_overall_SU_R_Blow_DPI               ? 
_refine.pdbx_TLS_residual_ADP_flag               ? 
_refine.pdbx_diffrn_id                           1 
_refine.overall_SU_B                             2.9130 
_refine.overall_SU_ML                            0.0470 
_refine.overall_SU_R_Cruickshank_DPI             ? 
_refine.overall_SU_R_free                        ? 
_refine.overall_FOM_free_R_set                   ? 
_refine.overall_FOM_work_R_set                   ? 
_refine.pdbx_average_fsc_overall                 ? 
_refine.pdbx_average_fsc_work                    ? 
_refine.pdbx_average_fsc_free                    ? 
# 
_refine_hist.cycle_id                         final 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.d_res_high                       1.6000 
_refine_hist.d_res_low                        23.3200 
_refine_hist.pdbx_number_atoms_ligand         0 
_refine_hist.number_atoms_solvent             192 
_refine_hist.number_atoms_total               1762 
_refine_hist.pdbx_number_residues_total       226 
_refine_hist.pdbx_B_iso_mean_solvent          32.63 
_refine_hist.pdbx_number_atoms_protein        1570 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
# 
loop_
_refine_ls_restr.pdbx_refine_id 
_refine_ls_restr.criterion 
_refine_ls_restr.dev_ideal 
_refine_ls_restr.dev_ideal_target 
_refine_ls_restr.number 
_refine_ls_restr.rejects 
_refine_ls_restr.type 
_refine_ls_restr.weight 
_refine_ls_restr.pdbx_restraint_function 
'X-RAY DIFFRACTION' ? 0.006  0.019  1600 ? r_bond_refined_d       ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.020  1575 ? r_bond_other_d         ? ? 
'X-RAY DIFFRACTION' ? 1.139  1.943  2161 ? r_angle_refined_deg    ? ? 
'X-RAY DIFFRACTION' ? 0.716  3.000  3624 ? r_angle_other_deg      ? ? 
'X-RAY DIFFRACTION' ? 5.929  5.000  226  ? r_dihedral_angle_1_deg ? ? 
'X-RAY DIFFRACTION' ? 38.658 25.636 55   ? r_dihedral_angle_2_deg ? ? 
'X-RAY DIFFRACTION' ? 10.830 15.000 254  ? r_dihedral_angle_3_deg ? ? 
'X-RAY DIFFRACTION' ? 9.883  15.000 4    ? r_dihedral_angle_4_deg ? ? 
'X-RAY DIFFRACTION' ? 0.068  0.200  251  ? r_chiral_restr         ? ? 
'X-RAY DIFFRACTION' ? 0.003  0.020  1876 ? r_gen_planes_refined   ? ? 
'X-RAY DIFFRACTION' ? 0.002  0.020  332  ? r_gen_planes_other     ? ? 
'X-RAY DIFFRACTION' ? 2.737  2.051  907  ? r_mcbond_it            ? ? 
'X-RAY DIFFRACTION' ? 2.718  2.046  906  ? r_mcbond_other         ? ? 
'X-RAY DIFFRACTION' ? 3.498  3.076  1132 ? r_mcangle_it           ? ? 
'X-RAY DIFFRACTION' ? 3.062  3.000  3175 ? r_rigid_bond_restr     ? ? 
'X-RAY DIFFRACTION' ? 34.805 5.000  59   ? r_sphericity_free      ? ? 
'X-RAY DIFFRACTION' ? 12.800 5.000  3287 ? r_sphericity_bonded    ? ? 
# 
_refine_ls_shell.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_ls_shell.d_res_high                       1.6000 
_refine_ls_shell.d_res_low                        1.6420 
_refine_ls_shell.number_reflns_all                2035 
_refine_ls_shell.number_reflns_obs                ? 
_refine_ls_shell.number_reflns_R_free             87 
_refine_ls_shell.number_reflns_R_work             1948 
_refine_ls_shell.percent_reflns_obs               99.8000 
_refine_ls_shell.percent_reflns_R_free            ? 
_refine_ls_shell.R_factor_all                     ? 
_refine_ls_shell.R_factor_obs                     ? 
_refine_ls_shell.R_factor_R_free                  0.2640 
_refine_ls_shell.R_factor_R_free_error            ? 
_refine_ls_shell.R_factor_R_work                  0.1730 
_refine_ls_shell.redundancy_reflns_all            ? 
_refine_ls_shell.redundancy_reflns_obs            ? 
_refine_ls_shell.wR_factor_all                    ? 
_refine_ls_shell.wR_factor_obs                    ? 
_refine_ls_shell.wR_factor_R_free                 ? 
_refine_ls_shell.wR_factor_R_work                 ? 
_refine_ls_shell.pdbx_total_number_of_bins_used   20 
_refine_ls_shell.pdbx_phase_error                 ? 
_refine_ls_shell.pdbx_fsc_work                    ? 
_refine_ls_shell.pdbx_fsc_free                    ? 
# 
_struct.entry_id                     5J0C 
_struct.title                        
'Monomeric Human Cu,Zn Superoxide dismutase, loops IV and VII deleted, apo form, circular permutant P2/3' 
_struct.pdbx_descriptor              
;Superoxide dismutase [Cu-Zn],Superoxide dismutase [Cu-Zn],OXIDOREDUCTASE,Superoxide dismutase [Cu-Zn] (E.C.1.15.1.1,1.15.1.1,1.15.1.1)
;
_struct.pdbx_model_details           ? 
_struct.pdbx_formula_weight          ? 
_struct.pdbx_formula_weight_method   ? 
_struct.pdbx_model_type_details      ? 
_struct.pdbx_CASP_flag               ? 
# 
_struct_keywords.entry_id        5J0C 
_struct_keywords.text            'SOD1, OXIDOREDUCTASE' 
_struct_keywords.pdbx_keywords   OXIDOREDUCTASE 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 1 ? 
C N N 2 ? 
D N N 2 ? 
# 
loop_
_struct_sheet.id 
_struct_sheet.type 
_struct_sheet.number_strands 
_struct_sheet.details 
AA1 ? 8 ? 
AA2 ? 8 ? 
AA3 ? 2 ? 
# 
loop_
_struct_sheet_order.sheet_id 
_struct_sheet_order.range_id_1 
_struct_sheet_order.range_id_2 
_struct_sheet_order.offset 
_struct_sheet_order.sense 
AA1 1 2 ? anti-parallel 
AA1 2 3 ? anti-parallel 
AA1 3 4 ? anti-parallel 
AA1 4 5 ? anti-parallel 
AA1 5 6 ? anti-parallel 
AA1 6 7 ? anti-parallel 
AA1 7 8 ? anti-parallel 
AA2 1 2 ? anti-parallel 
AA2 2 3 ? anti-parallel 
AA2 3 4 ? anti-parallel 
AA2 4 5 ? anti-parallel 
AA2 5 6 ? anti-parallel 
AA2 6 7 ? anti-parallel 
AA2 7 8 ? anti-parallel 
AA3 1 2 ? anti-parallel 
# 
loop_
_struct_sheet_range.sheet_id 
_struct_sheet_range.id 
_struct_sheet_range.beg_label_comp_id 
_struct_sheet_range.beg_label_asym_id 
_struct_sheet_range.beg_label_seq_id 
_struct_sheet_range.pdbx_beg_PDB_ins_code 
_struct_sheet_range.end_label_comp_id 
_struct_sheet_range.end_label_asym_id 
_struct_sheet_range.end_label_seq_id 
_struct_sheet_range.pdbx_end_PDB_ins_code 
_struct_sheet_range.beg_auth_comp_id 
_struct_sheet_range.beg_auth_asym_id 
_struct_sheet_range.beg_auth_seq_id 
_struct_sheet_range.end_auth_comp_id 
_struct_sheet_range.end_auth_asym_id 
_struct_sheet_range.end_auth_seq_id 
AA1 1 ASP A 28  ? ALA A 34  ? ASP A 27  ALA A 33  
AA1 2 GLY A 16  ? VAL A 22  ? GLY A 15  VAL A 21  
AA1 3 THR A 61  ? HIS A 65  ? THR A 60  HIS A 64  
AA1 4 LEU A 76  ? ALA A 84  ? LEU A 75  ALA A 83  
AA1 5 ALA A 90  ? LYS A 98  ? ALA A 89  LYS A 97  
AA1 6 GLN A 104 ? LYS A 112 ? GLN A 103 LYS A 111 
AA1 7 VAL A 4   ? LYS A 11  ? VAL A 3   LYS A 10  
AA1 8 ALA A 40  ? ASP A 46  ? ALA A 39  ASP A 45  
AA2 1 GLY B 27  ? ASP B 28  ? GLY B 26  ASP B 27  
AA2 2 PHE B 20  ? HIS B 23  ? PHE B 19  HIS B 22  
AA2 3 THR B 61  ? HIS B 65  ? THR B 60  HIS B 64  
AA2 4 LEU B 76  ? ALA B 84  ? LEU B 75  ALA B 83  
AA2 5 ALA B 90  ? LYS B 98  ? ALA B 89  LYS B 97  
AA2 6 GLN B 104 ? LYS B 112 ? GLN B 103 LYS B 111 
AA2 7 VAL B 4   ? LYS B 11  ? VAL B 3   LYS B 10  
AA2 8 ALA B 40  ? ASP B 46  ? ALA B 39  ASP B 45  
AA3 1 GLY B 16  ? HIS B 18  ? GLY B 15  HIS B 17  
AA3 2 VAL B 32  ? ALA B 34  ? VAL B 31  ALA B 33  
# 
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 
AA1 1 2 O ALA A 34  ? O ALA A 33  N GLY A 16  ? N GLY A 15  
AA1 2 3 N HIS A 21  ? N HIS A 20  O VAL A 63  ? O VAL A 62  
AA1 3 4 N LEU A 62  ? N LEU A 61  O GLY A 79  ? O GLY A 78  
AA1 4 5 N GLY A 82  ? N GLY A 81  O VAL A 94  ? O VAL A 93  
AA1 5 6 N THR A 91  ? N THR A 90  O GLN A 111 ? O GLN A 110 
AA1 6 7 O ASN A 108 ? O ASN A 107 N TRP A 7   ? N TRP A 6   
AA1 7 8 N ILE A 10  ? N ILE A 9   O ALA A 40  ? O ALA A 39  
AA2 1 2 O GLY B 27  ? O GLY B 26  N VAL B 22  ? N VAL B 21  
AA2 2 3 N HIS B 21  ? N HIS B 20  O VAL B 63  ? O VAL B 62  
AA2 3 4 N LEU B 62  ? N LEU B 61  O GLY B 79  ? O GLY B 78  
AA2 4 5 N GLY B 82  ? N GLY B 81  O VAL B 94  ? O VAL B 93  
AA2 5 6 N ALA B 95  ? N ALA B 94  O ILE B 107 ? O ILE B 106 
AA2 6 7 O ASN B 108 ? O ASN B 107 N TRP B 7   ? N TRP B 6   
AA2 7 8 N GLY B 8   ? N GLY B 7   O VAL B 42  ? O VAL B 41  
AA3 1 2 N GLY B 16  ? N GLY B 15  O ALA B 34  ? O ALA B 33  
# 
_atom_sites.entry_id                    5J0C 
_atom_sites.fract_transf_matrix[1][1]   0.013641 
_atom_sites.fract_transf_matrix[1][2]   0.007875 
_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]   0.015751 
_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]   0.014560 
_atom_sites.fract_transf_vector[1]      0.000000 
_atom_sites.fract_transf_vector[2]      0.000000 
_atom_sites.fract_transf_vector[3]      0.000000 
# 
loop_
_atom_type.symbol 
C 
N 
O 
S 
# 
loop_
_atom_site.group_PDB 
_atom_site.id 
_atom_site.type_symbol 
_atom_site.label_atom_id 
_atom_site.label_alt_id 
_atom_site.label_comp_id 
_atom_site.label_asym_id 
_atom_site.label_entity_id 
_atom_site.label_seq_id 
_atom_site.pdbx_PDB_ins_code 
_atom_site.Cartn_x 
_atom_site.Cartn_y 
_atom_site.Cartn_z 
_atom_site.occupancy 
_atom_site.B_iso_or_equiv 
_atom_site.pdbx_formal_charge 
_atom_site.auth_seq_id 
_atom_site.auth_comp_id 
_atom_site.auth_asym_id 
_atom_site.auth_atom_id 
_atom_site.pdbx_PDB_model_num 
ATOM   1    N N   . ALA A 1 2   ? -34.093 28.892 2.518   1.00 32.36 ? 1   ALA A N   1 
ATOM   2    C CA  . ALA A 1 2   ? -32.849 29.531 3.057   1.00 28.67 ? 1   ALA A CA  1 
ATOM   3    C C   . ALA A 1 2   ? -31.604 28.920 2.426   1.00 25.70 ? 1   ALA A C   1 
ATOM   4    O O   . ALA A 1 2   ? -31.559 27.708 2.215   1.00 24.10 ? 1   ALA A O   1 
ATOM   5    C CB  . ALA A 1 2   ? -32.774 29.386 4.568   1.00 27.39 ? 1   ALA A CB  1 
ATOM   6    N N   . PRO A 1 3   ? -30.576 29.747 2.153   1.00 22.81 ? 2   PRO A N   1 
ATOM   7    C CA  . PRO A 1 3   ? -29.345 29.202 1.577   1.00 19.29 ? 2   PRO A CA  1 
ATOM   8    C C   . PRO A 1 3   ? -28.645 28.199 2.483   1.00 16.43 ? 2   PRO A C   1 
ATOM   9    O O   . PRO A 1 3   ? -28.686 28.322 3.704   1.00 18.46 ? 2   PRO A O   1 
ATOM   10   C CB  . PRO A 1 3   ? -28.448 30.433 1.388   1.00 24.20 ? 2   PRO A CB  1 
ATOM   11   C CG  . PRO A 1 3   ? -29.350 31.609 1.505   1.00 27.82 ? 2   PRO A CG  1 
ATOM   12   C CD  . PRO A 1 3   ? -30.458 31.189 2.419   1.00 26.95 ? 2   PRO A CD  1 
ATOM   13   N N   . VAL A 1 4   ? -28.011 27.209 1.869   1.00 14.61 ? 3   VAL A N   1 
ATOM   14   C CA  . VAL A 1 4   ? -27.180 26.269 2.598   1.00 13.01 ? 3   VAL A CA  1 
ATOM   15   C C   . VAL A 1 4   ? -25.736 26.771 2.576   1.00 14.06 ? 3   VAL A C   1 
ATOM   16   O O   . VAL A 1 4   ? -25.201 27.080 1.512   1.00 15.91 ? 3   VAL A O   1 
ATOM   17   C CB  . VAL A 1 4   ? -27.263 24.861 1.982   1.00 14.00 ? 3   VAL A CB  1 
ATOM   18   C CG1 . VAL A 1 4   ? -26.348 23.896 2.723   1.00 15.25 ? 3   VAL A CG1 1 
ATOM   19   C CG2 . VAL A 1 4   ? -28.706 24.355 2.001   1.00 16.32 ? 3   VAL A CG2 1 
ATOM   20   N N   . LYS A 1 5   ? -25.125 26.869 3.755   1.00 13.02 ? 4   LYS A N   1 
ATOM   21   C CA  . LYS A 1 5   ? -23.713 27.212 3.868   1.00 13.75 ? 4   LYS A CA  1 
ATOM   22   C C   . LYS A 1 5   ? -22.909 25.910 3.862   1.00 12.00 ? 4   LYS A C   1 
ATOM   23   O O   . LYS A 1 5   ? -23.212 24.980 4.619   1.00 13.95 ? 4   LYS A O   1 
ATOM   24   C CB  . LYS A 1 5   ? -23.438 28.000 5.152   1.00 19.23 ? 4   LYS A CB  1 
ATOM   25   C CG  . LYS A 1 5   ? -24.368 29.185 5.400   1.00 25.57 ? 4   LYS A CG  1 
ATOM   26   C CD  . LYS A 1 5   ? -24.431 30.142 4.216   1.00 28.94 ? 4   LYS A CD  1 
ATOM   27   C CE  . LYS A 1 5   ? -25.533 31.185 4.388   1.00 41.36 ? 4   LYS A CE  1 
ATOM   28   N NZ  . LYS A 1 5   ? -25.331 32.061 5.573   1.00 46.06 ? 4   LYS A NZ  1 
ATOM   29   N N   . VAL A 1 6   ? -21.895 25.848 2.998   1.00 12.00 ? 5   VAL A N   1 
ATOM   30   C CA  . VAL A 1 6   ? -21.070 24.656 2.831   1.00 10.96 ? 5   VAL A CA  1 
ATOM   31   C C   . VAL A 1 6   ? -19.622 25.059 3.095   1.00 12.08 ? 5   VAL A C   1 
ATOM   32   O O   . VAL A 1 6   ? -19.086 25.939 2.424   1.00 13.21 ? 5   VAL A O   1 
ATOM   33   C CB  . VAL A 1 6   ? -21.190 24.081 1.402   1.00 11.86 ? 5   VAL A CB  1 
ATOM   34   C CG1 . VAL A 1 6   ? -20.368 22.814 1.239   1.00 12.51 ? 5   VAL A CG1 1 
ATOM   35   C CG2 . VAL A 1 6   ? -22.644 23.852 1.033   1.00 12.49 ? 5   VAL A CG2 1 
ATOM   36   N N   . TRP A 1 7   ? -18.994 24.449 4.088   1.00 10.96 ? 6   TRP A N   1 
ATOM   37   C CA  . TRP A 1 7   ? -17.643 24.851 4.445   1.00 10.33 ? 6   TRP A CA  1 
ATOM   38   C C   . TRP A 1 7   ? -16.853 23.723 5.078   1.00 10.61 ? 6   TRP A C   1 
ATOM   39   O O   . TRP A 1 7   ? -17.415 22.817 5.686   1.00 12.24 ? 6   TRP A O   1 
ATOM   40   C CB  . TRP A 1 7   ? -17.673 26.079 5.376   1.00 11.42 ? 6   TRP A CB  1 
ATOM   41   C CG  . TRP A 1 7   ? -18.221 25.814 6.758   1.00 13.47 ? 6   TRP A CG  1 
ATOM   42   C CD1 . TRP A 1 7   ? -19.543 25.789 7.149   1.00 15.26 ? 6   TRP A CD1 1 
ATOM   43   C CD2 . TRP A 1 7   ? -17.458 25.531 7.927   1.00 14.28 ? 6   TRP A CD2 1 
ATOM   44   N NE1 . TRP A 1 7   ? -19.629 25.518 8.499   1.00 17.72 ? 6   TRP A NE1 1 
ATOM   45   C CE2 . TRP A 1 7   ? -18.365 25.335 8.993   1.00 16.15 ? 6   TRP A CE2 1 
ATOM   46   C CE3 . TRP A 1 7   ? -16.093 25.400 8.175   1.00 16.60 ? 6   TRP A CE3 1 
ATOM   47   C CZ2 . TRP A 1 7   ? -17.939 25.049 10.294  1.00 18.19 ? 6   TRP A CZ2 1 
ATOM   48   C CZ3 . TRP A 1 7   ? -15.674 25.105 9.467   1.00 17.03 ? 6   TRP A CZ3 1 
ATOM   49   C CH2 . TRP A 1 7   ? -16.591 24.934 10.506  1.00 18.64 ? 6   TRP A CH2 1 
ATOM   50   N N   . GLY A 1 8   ? -15.536 23.818 4.942   1.00 10.57 ? 7   GLY A N   1 
ATOM   51   C CA  . GLY A 1 8   ? -14.617 22.864 5.535   1.00 10.55 ? 7   GLY A CA  1 
ATOM   52   C C   . GLY A 1 8   ? -13.358 22.820 4.712   1.00 10.29 ? 7   GLY A C   1 
ATOM   53   O O   . GLY A 1 8   ? -12.989 23.812 4.062   1.00 11.33 ? 7   GLY A O   1 
ATOM   54   N N   . SER A 1 9   ? -12.700 21.665 4.715   1.00 11.27 ? 8   SER A N   1 
ATOM   55   C CA  . SER A 1 9   ? -11.470 21.528 3.966   1.00 12.11 ? 8   SER A CA  1 
ATOM   56   C C   . SER A 1 9   ? -11.263 20.089 3.545   1.00 12.79 ? 8   SER A C   1 
ATOM   57   O O   . SER A 1 9   ? -11.760 19.151 4.175   1.00 13.80 ? 8   SER A O   1 
ATOM   58   C CB  . SER A 1 9   ? -10.270 22.024 4.789   1.00 16.13 ? 8   SER A CB  1 
ATOM   59   O OG  . SER A 1 9   ? -10.034 21.200 5.915   1.00 18.48 ? 8   SER A OG  1 
ATOM   60   N N   . ILE A 1 10  ? -10.523 19.943 2.461   1.00 13.89 ? 9   ILE A N   1 
ATOM   61   C CA  . ILE A 1 10  ? -10.118 18.659 1.929   1.00 13.03 ? 9   ILE A CA  1 
ATOM   62   C C   . ILE A 1 10  ? -8.610  18.700 1.741   1.00 13.19 ? 9   ILE A C   1 
ATOM   63   O O   . ILE A 1 10  ? -8.063  19.674 1.223   1.00 14.32 ? 9   ILE A O   1 
ATOM   64   C CB  . ILE A 1 10  ? -10.786 18.383 0.578   1.00 14.31 ? 9   ILE A CB  1 
ATOM   65   C CG1 . ILE A 1 10  ? -12.302 18.620 0.674   1.00 16.85 ? 9   ILE A CG1 1 
ATOM   66   C CG2 . ILE A 1 10  ? -10.462 16.971 0.112   1.00 14.66 ? 9   ILE A CG2 1 
ATOM   67   C CD1 . ILE A 1 10  ? -13.019 18.588 -0.652  1.00 18.22 ? 9   ILE A CD1 1 
ATOM   68   N N   . LYS A 1 11  ? -7.949  17.630 2.155   1.00 14.12 ? 10  LYS A N   1 
ATOM   69   C CA  . LYS A 1 11  ? -6.499  17.561 2.127   1.00 16.50 ? 10  LYS A CA  1 
ATOM   70   C C   . LYS A 1 11  ? -6.064  16.350 1.301   1.00 15.14 ? 10  LYS A C   1 
ATOM   71   O O   . LYS A 1 11  ? -6.873  15.465 0.999   1.00 13.33 ? 10  LYS A O   1 
ATOM   72   C CB  . LYS A 1 11  ? -5.962  17.532 3.570   1.00 20.78 ? 10  LYS A CB  1 
ATOM   73   C CG  . LYS A 1 11  ? -6.613  18.614 4.441   1.00 27.71 ? 10  LYS A CG  1 
ATOM   74   C CD  . LYS A 1 11  ? -5.911  18.907 5.767   1.00 36.40 ? 10  LYS A CD  1 
ATOM   75   C CE  . LYS A 1 11  ? -6.596  20.058 6.507   1.00 42.95 ? 10  LYS A CE  1 
ATOM   76   N NZ  . LYS A 1 11  ? -5.776  20.639 7.614   1.00 44.96 ? 10  LYS A NZ  1 
ATOM   77   N N   . GLY A 1 12  ? -4.800  16.349 0.888   1.00 14.89 ? 11  GLY A N   1 
ATOM   78   C CA  . GLY A 1 12  ? -4.234  15.249 0.130   1.00 15.38 ? 11  GLY A CA  1 
ATOM   79   C C   . GLY A 1 12  ? -4.495  15.288 -1.358  1.00 14.54 ? 11  GLY A C   1 
ATOM   80   O O   . GLY A 1 12  ? -4.205  14.322 -2.072  1.00 18.07 ? 11  GLY A O   1 
ATOM   81   N N   . LEU A 1 13  ? -5.042  16.403 -1.836  1.00 13.30 ? 12  LEU A N   1 
ATOM   82   C CA  . LEU A 1 13  ? -5.356  16.572 -3.249  1.00 13.44 ? 12  LEU A CA  1 
ATOM   83   C C   . LEU A 1 13  ? -4.154  17.029 -4.066  1.00 15.35 ? 12  LEU A C   1 
ATOM   84   O O   . LEU A 1 13  ? -3.227  17.643 -3.540  1.00 16.90 ? 12  LEU A O   1 
ATOM   85   C CB  . LEU A 1 13  ? -6.482  17.601 -3.413  1.00 12.96 ? 12  LEU A CB  1 
ATOM   86   C CG  . LEU A 1 13  ? -7.862  17.210 -2.874  1.00 13.60 ? 12  LEU A CG  1 
ATOM   87   C CD1 . LEU A 1 13  ? -8.781  18.419 -2.797  1.00 13.59 ? 12  LEU A CD1 1 
ATOM   88   C CD2 . LEU A 1 13  ? -8.470  16.119 -3.741  1.00 16.09 ? 12  LEU A CD2 1 
ATOM   89   N N   . THR A 1 14  ? -4.183  16.740 -5.361  1.00 15.72 ? 13  THR A N   1 
ATOM   90   C CA  . THR A 1 14  ? -3.239  17.347 -6.283  1.00 17.38 ? 13  THR A CA  1 
ATOM   91   C C   . THR A 1 14  ? -3.580  18.832 -6.404  1.00 15.70 ? 13  THR A C   1 
ATOM   92   O O   . THR A 1 14  ? -4.744  19.230 -6.258  1.00 16.43 ? 13  THR A O   1 
ATOM   93   C CB  . THR A 1 14  ? -3.270  16.668 -7.666  1.00 18.93 ? 13  THR A CB  1 
ATOM   94   O OG1 . THR A 1 14  ? -4.599  16.676 -8.196  1.00 17.87 ? 13  THR A OG1 1 
ATOM   95   C CG2 . THR A 1 14  ? -2.788  15.232 -7.561  1.00 20.68 ? 13  THR A CG2 1 
ATOM   96   N N   . GLU A 1 15  ? -2.562  19.651 -6.650  1.00 16.23 ? 14  GLU A N   1 
ATOM   97   C CA  . GLU A 1 15  ? -2.750  21.095 -6.787  1.00 15.86 ? 14  GLU A CA  1 
ATOM   98   C C   . GLU A 1 15  ? -3.686  21.375 -7.962  1.00 16.84 ? 14  GLU A C   1 
ATOM   99   O O   . GLU A 1 15  ? -3.572  20.754 -9.017  1.00 18.47 ? 14  GLU A O   1 
ATOM   100  C CB  . GLU A 1 15  ? -1.408  21.781 -7.004  1.00 18.95 ? 14  GLU A CB  1 
ATOM   101  C CG  . GLU A 1 15  ? -1.474  23.302 -7.032  1.00 21.73 ? 14  GLU A CG  1 
ATOM   102  C CD  . GLU A 1 15  ? -0.112  23.965 -7.196  1.00 26.79 ? 14  GLU A CD  1 
ATOM   103  O OE1 . GLU A 1 15  ? 0.904   23.257 -7.351  1.00 30.33 ? 14  GLU A OE1 1 
ATOM   104  O OE2 . GLU A 1 15  ? -0.057  25.212 -7.171  1.00 32.54 ? 14  GLU A OE2 1 
ATOM   105  N N   . GLY A 1 16  ? -4.630  22.287 -7.756  1.00 14.66 ? 15  GLY A N   1 
ATOM   106  C CA  . GLY A 1 16  ? -5.527  22.709 -8.810  1.00 14.82 ? 15  GLY A CA  1 
ATOM   107  C C   . GLY A 1 16  ? -6.995  22.486 -8.515  1.00 13.38 ? 15  GLY A C   1 
ATOM   108  O O   . GLY A 1 16  ? -7.410  22.327 -7.361  1.00 13.69 ? 15  GLY A O   1 
ATOM   109  N N   . LEU A 1 17  ? -7.762  22.463 -9.594  1.00 14.74 ? 16  LEU A N   1 
ATOM   110  C CA  . LEU A 1 17  ? -9.213  22.450 -9.557  1.00 13.45 ? 16  LEU A CA  1 
ATOM   111  C C   . LEU A 1 17  ? -9.755  21.027 -9.498  1.00 13.73 ? 16  LEU A C   1 
ATOM   112  O O   . LEU A 1 17  ? -9.325  20.177 -10.262 1.00 16.60 ? 16  LEU A O   1 
ATOM   113  C CB  . LEU A 1 17  ? -9.707  23.124 -10.836 1.00 20.22 ? 16  LEU A CB  1 
ATOM   114  C CG  . LEU A 1 17  ? -11.077 23.766 -10.810 1.00 26.92 ? 16  LEU A CG  1 
ATOM   115  C CD1 . LEU A 1 17  ? -10.974 25.079 -10.050 1.00 31.44 ? 16  LEU A CD1 1 
ATOM   116  C CD2 . LEU A 1 17  ? -11.539 24.004 -12.236 1.00 35.81 ? 16  LEU A CD2 1 
ATOM   117  N N   . HIS A 1 18  ? -10.703 20.783 -8.596  1.00 11.68 ? 17  HIS A N   1 
ATOM   118  C CA  . HIS A 1 18  ? -11.317 19.470 -8.421  1.00 11.66 ? 17  HIS A CA  1 
ATOM   119  C C   . HIS A 1 18  ? -12.830 19.581 -8.387  1.00 11.68 ? 17  HIS A C   1 
ATOM   120  O O   . HIS A 1 18  ? -13.390 20.290 -7.555  1.00 11.40 ? 17  HIS A O   1 
ATOM   121  C CB  . HIS A 1 18  ? -10.810 18.807 -7.142  1.00 10.85 ? 17  HIS A CB  1 
ATOM   122  C CG  . HIS A 1 18  ? -9.347  18.511 -7.178  1.00 12.21 ? 17  HIS A CG  1 
ATOM   123  N ND1 . HIS A 1 18  ? -8.843  17.299 -7.596  1.00 14.51 ? 17  HIS A ND1 1 
ATOM   124  C CD2 . HIS A 1 18  ? -8.276  19.291 -6.905  1.00 12.45 ? 17  HIS A CD2 1 
ATOM   125  C CE1 . HIS A 1 18  ? -7.526  17.333 -7.548  1.00 14.92 ? 17  HIS A CE1 1 
ATOM   126  N NE2 . HIS A 1 18  ? -7.156  18.529 -7.136  1.00 14.78 ? 17  HIS A NE2 1 
ATOM   127  N N   . GLY A 1 19  ? -13.493 18.862 -9.285  1.00 11.92 ? 18  GLY A N   1 
ATOM   128  C CA  . GLY A 1 19  ? -14.945 18.815 -9.306  1.00 12.15 ? 18  GLY A CA  1 
ATOM   129  C C   . GLY A 1 19  ? -15.516 18.343 -7.975  1.00 10.71 ? 18  GLY A C   1 
ATOM   130  O O   . GLY A 1 19  ? -14.985 17.427 -7.349  1.00 11.10 ? 18  GLY A O   1 
ATOM   131  N N   . PHE A 1 20  ? -16.615 18.963 -7.566  1.00 11.00 ? 19  PHE A N   1 
ATOM   132  C CA  . PHE A 1 20  ? -17.162 18.823 -6.203  1.00 9.75  ? 19  PHE A CA  1 
ATOM   133  C C   . PHE A 1 20  ? -18.681 18.718 -6.326  1.00 9.63  ? 19  PHE A C   1 
ATOM   134  O O   . PHE A 1 20  ? -19.338 19.702 -6.664  1.00 9.57  ? 19  PHE A O   1 
ATOM   135  C CB  . PHE A 1 20  ? -16.746 20.066 -5.406  1.00 11.32 ? 19  PHE A CB  1 
ATOM   136  C CG  . PHE A 1 20  ? -17.089 20.045 -3.944  1.00 11.43 ? 19  PHE A CG  1 
ATOM   137  C CD1 . PHE A 1 20  ? -16.771 18.961 -3.138  1.00 13.98 ? 19  PHE A CD1 1 
ATOM   138  C CD2 . PHE A 1 20  ? -17.636 21.171 -3.344  1.00 11.61 ? 19  PHE A CD2 1 
ATOM   139  C CE1 . PHE A 1 20  ? -17.057 18.977 -1.784  1.00 14.15 ? 19  PHE A CE1 1 
ATOM   140  C CE2 . PHE A 1 20  ? -17.908 21.195 -1.979  1.00 12.01 ? 19  PHE A CE2 1 
ATOM   141  C CZ  . PHE A 1 20  ? -17.614 20.101 -1.202  1.00 12.93 ? 19  PHE A CZ  1 
ATOM   142  N N   . HIS A 1 21  ? -19.232 17.525 -6.112  1.00 9.39  ? 20  HIS A N   1 
ATOM   143  C CA  . HIS A 1 21  ? -20.647 17.268 -6.403  1.00 9.86  ? 20  HIS A CA  1 
ATOM   144  C C   . HIS A 1 21  ? -21.338 16.481 -5.311  1.00 9.84  ? 20  HIS A C   1 
ATOM   145  O O   . HIS A 1 21  ? -20.731 15.632 -4.678  1.00 10.43 ? 20  HIS A O   1 
ATOM   146  C CB  . HIS A 1 21  ? -20.821 16.444 -7.704  1.00 10.59 ? 20  HIS A CB  1 
ATOM   147  C CG  . HIS A 1 21  ? -20.056 16.964 -8.880  1.00 11.92 ? 20  HIS A CG  1 
ATOM   148  N ND1 . HIS A 1 21  ? -19.392 16.139 -9.761  1.00 15.71 ? 20  HIS A ND1 1 
ATOM   149  C CD2 . HIS A 1 21  ? -19.845 18.225 -9.320  1.00 13.32 ? 20  HIS A CD2 1 
ATOM   150  C CE1 . HIS A 1 21  ? -18.813 16.869 -10.699 1.00 14.31 ? 20  HIS A CE1 1 
ATOM   151  N NE2 . HIS A 1 21  ? -19.067 18.139 -10.447 1.00 13.79 ? 20  HIS A NE2 1 
ATOM   152  N N   . VAL A 1 22  ? -22.633 16.739 -5.138  1.00 10.53 ? 21  VAL A N   1 
ATOM   153  C CA  . VAL A 1 22  ? -23.513 15.843 -4.420  1.00 10.05 ? 21  VAL A CA  1 
ATOM   154  C C   . VAL A 1 22  ? -24.119 14.908 -5.454  1.00 11.46 ? 21  VAL A C   1 
ATOM   155  O O   . VAL A 1 22  ? -24.656 15.361 -6.464  1.00 12.69 ? 21  VAL A O   1 
ATOM   156  C CB  . VAL A 1 22  ? -24.633 16.607 -3.694  1.00 11.03 ? 21  VAL A CB  1 
ATOM   157  C CG1 . VAL A 1 22  ? -25.541 15.644 -2.942  1.00 12.09 ? 21  VAL A CG1 1 
ATOM   158  C CG2 . VAL A 1 22  ? -24.063 17.617 -2.724  1.00 12.57 ? 21  VAL A CG2 1 
ATOM   159  N N   . HIS A 1 23  ? -24.014 13.609 -5.216  1.00 11.65 ? 22  HIS A N   1 
ATOM   160  C CA  . HIS A 1 23  ? -24.568 12.620 -6.125  1.00 13.53 ? 22  HIS A CA  1 
ATOM   161  C C   . HIS A 1 23  ? -26.051 12.865 -6.387  1.00 15.46 ? 22  HIS A C   1 
ATOM   162  O O   . HIS A 1 23  ? -26.822 13.105 -5.462  1.00 19.42 ? 22  HIS A O   1 
ATOM   163  C CB  . HIS A 1 23  ? -24.367 11.217 -5.580  1.00 15.03 ? 22  HIS A CB  1 
ATOM   164  C CG  . HIS A 1 23  ? -24.902 10.153 -6.482  1.00 15.85 ? 22  HIS A CG  1 
ATOM   165  N ND1 . HIS A 1 23  ? -24.314 9.844  -7.685  1.00 18.65 ? 22  HIS A ND1 1 
ATOM   166  C CD2 . HIS A 1 23  ? -25.996 9.368  -6.385  1.00 19.55 ? 22  HIS A CD2 1 
ATOM   167  C CE1 . HIS A 1 23  ? -25.002 8.886  -8.277  1.00 17.34 ? 22  HIS A CE1 1 
ATOM   168  N NE2 . HIS A 1 23  ? -26.024 8.571  -7.502  1.00 19.27 ? 22  HIS A NE2 1 
ATOM   169  N N   . GLY A 1 24  ? -26.430 12.814 -7.661  1.00 17.13 ? 23  GLY A N   1 
ATOM   170  C CA  . GLY A 1 24  ? -27.834 12.941 -8.064  1.00 19.13 ? 23  GLY A CA  1 
ATOM   171  C C   . GLY A 1 24  ? -28.208 14.295 -8.628  1.00 19.95 ? 23  GLY A C   1 
ATOM   172  O O   . GLY A 1 24  ? -27.348 15.134 -8.867  1.00 20.75 ? 23  GLY A O   1 
ATOM   173  N N   . ALA A 1 25  ? -29.503 14.509 -8.827  1.00 23.43 ? 24  ALA A N   1 
ATOM   174  C CA  . ALA A 1 25  ? -29.993 15.745 -9.436  1.00 24.10 ? 24  ALA A CA  1 
ATOM   175  C C   . ALA A 1 25  ? -29.741 16.942 -8.536  1.00 20.76 ? 24  ALA A C   1 
ATOM   176  O O   . ALA A 1 25  ? -29.826 16.840 -7.316  1.00 22.64 ? 24  ALA A O   1 
ATOM   177  C CB  . ALA A 1 25  ? -31.478 15.633 -9.741  1.00 27.39 ? 24  ALA A CB  1 
ATOM   178  N N   . GLY A 1 26  ? -29.420 18.074 -9.150  1.00 18.56 ? 25  GLY A N   1 
ATOM   179  C CA  . GLY A 1 26  ? -29.270 19.331 -8.422  1.00 18.24 ? 25  GLY A CA  1 
ATOM   180  C C   . GLY A 1 26  ? -28.029 19.370 -7.554  1.00 15.91 ? 25  GLY A C   1 
ATOM   181  O O   . GLY A 1 26  ? -28.003 20.080 -6.554  1.00 17.25 ? 25  GLY A O   1 
ATOM   182  N N   . GLY A 1 27  ? -26.997 18.614 -7.938  1.00 14.32 ? 26  GLY A N   1 
ATOM   183  C CA  . GLY A 1 27  ? -25.829 18.437 -7.075  1.00 12.97 ? 26  GLY A CA  1 
ATOM   184  C C   . GLY A 1 27  ? -24.487 18.983 -7.532  1.00 12.82 ? 26  GLY A C   1 
ATOM   185  O O   . GLY A 1 27  ? -23.479 18.684 -6.901  1.00 14.96 ? 26  GLY A O   1 
ATOM   186  N N   . ASP A 1 28  ? -24.455 19.792 -8.592  1.00 13.95 ? 27  ASP A N   1 
ATOM   187  C CA  . ASP A 1 28  ? -23.193 20.275 -9.130  1.00 15.12 ? 27  ASP A CA  1 
ATOM   188  C C   . ASP A 1 28  ? -22.750 21.518 -8.372  1.00 14.53 ? 27  ASP A C   1 
ATOM   189  O O   . ASP A 1 28  ? -23.046 22.651 -8.777  1.00 16.42 ? 27  ASP A O   1 
ATOM   190  C CB  . ASP A 1 28  ? -23.311 20.554 -10.632 1.00 17.65 ? 27  ASP A CB  1 
ATOM   191  C CG  . ASP A 1 28  ? -21.950 20.599 -11.327 1.00 22.21 ? 27  ASP A CG  1 
ATOM   192  O OD1 . ASP A 1 28  ? -20.979 21.094 -10.713 1.00 18.81 ? 27  ASP A OD1 1 
ATOM   193  O OD2 . ASP A 1 28  ? -21.845 20.125 -12.483 1.00 28.32 ? 27  ASP A OD2 1 
ATOM   194  N N   . LEU A 1 29  ? -22.016 21.311 -7.281  1.00 14.48 ? 28  LEU A N   1 
ATOM   195  C CA  . LEU A 1 29  ? -21.670 22.416 -6.379  1.00 15.30 ? 28  LEU A CA  1 
ATOM   196  C C   . LEU A 1 29  ? -20.654 23.344 -6.996  1.00 17.25 ? 28  LEU A C   1 
ATOM   197  O O   . LEU A 1 29  ? -20.636 24.526 -6.676  1.00 22.62 ? 28  LEU A O   1 
ATOM   198  C CB  . LEU A 1 29  ? -21.148 21.902 -5.036  1.00 13.74 ? 28  LEU A CB  1 
ATOM   199  C CG  . LEU A 1 29  ? -22.073 20.961 -4.271  1.00 16.03 ? 28  LEU A CG  1 
ATOM   200  C CD1 . LEU A 1 29  ? -21.474 20.657 -2.914  1.00 15.71 ? 28  LEU A CD1 1 
ATOM   201  C CD2 . LEU A 1 29  ? -23.459 21.552 -4.102  1.00 19.13 ? 28  LEU A CD2 1 
ATOM   202  N N   . GLY A 1 30  ? -19.835 22.804 -7.894  1.00 12.63 ? 29  GLY A N   1 
ATOM   203  C CA  . GLY A 1 30  ? -18.769 23.550 -8.556  1.00 13.02 ? 29  GLY A CA  1 
ATOM   204  C C   . GLY A 1 30  ? -17.454 22.818 -8.408  1.00 13.89 ? 29  GLY A C   1 
ATOM   205  O O   . GLY A 1 30  ? -17.368 21.611 -8.679  1.00 13.15 ? 29  GLY A O   1 
ATOM   206  N N   . ASN A 1 31  ? -16.429 23.555 -7.993  1.00 14.38 ? 30  ASN A N   1 
ATOM   207  C CA  . ASN A 1 31  ? -15.098 23.006 -7.783  1.00 12.48 ? 30  ASN A CA  1 
ATOM   208  C C   . ASN A 1 31  ? -14.523 23.460 -6.468  1.00 12.35 ? 30  ASN A C   1 
ATOM   209  O O   . ASN A 1 31  ? -14.918 24.500 -5.928  1.00 14.56 ? 30  ASN A O   1 
ATOM   210  C CB  . ASN A 1 31  ? -14.142 23.470 -8.878  1.00 14.06 ? 30  ASN A CB  1 
ATOM   211  C CG  . ASN A 1 31  ? -14.593 23.057 -10.258 1.00 14.93 ? 30  ASN A CG  1 
ATOM   212  O OD1 . ASN A 1 31  ? -14.387 21.913 -10.673 1.00 16.75 ? 30  ASN A OD1 1 
ATOM   213  N ND2 . ASN A 1 31  ? -15.227 23.975 -10.971 1.00 15.92 ? 30  ASN A ND2 1 
ATOM   214  N N   . VAL A 1 32  ? -13.573 22.675 -5.969  1.00 11.24 ? 31  VAL A N   1 
ATOM   215  C CA  . VAL A 1 32  ? -12.676 23.126 -4.909  1.00 11.40 ? 31  VAL A CA  1 
ATOM   216  C C   . VAL A 1 32  ? -11.288 23.328 -5.515  1.00 11.45 ? 31  VAL A C   1 
ATOM   217  O O   . VAL A 1 32  ? -10.936 22.708 -6.526  1.00 12.84 ? 31  VAL A O   1 
ATOM   218  C CB  . VAL A 1 32  ? -12.632 22.155 -3.710  1.00 12.00 ? 31  VAL A CB  1 
ATOM   219  C CG1 . VAL A 1 32  ? -14.037 21.931 -3.167  1.00 11.83 ? 31  VAL A CG1 1 
ATOM   220  C CG2 . VAL A 1 32  ? -11.987 20.830 -4.082  1.00 13.15 ? 31  VAL A CG2 1 
ATOM   221  N N   . THR A 1 33  ? -10.517 24.212 -4.901  1.00 11.09 ? 32  THR A N   1 
ATOM   222  C CA  . THR A 1 33  ? -9.194  24.546 -5.391  1.00 12.25 ? 32  THR A CA  1 
ATOM   223  C C   . THR A 1 33  ? -8.174  24.153 -4.341  1.00 12.37 ? 32  THR A C   1 
ATOM   224  O O   . THR A 1 33  ? -8.185  24.679 -3.233  1.00 14.05 ? 32  THR A O   1 
ATOM   225  C CB  . THR A 1 33  ? -9.051  26.040 -5.717  1.00 15.39 ? 32  THR A CB  1 
ATOM   226  O OG1 . THR A 1 33  ? -10.005 26.391 -6.724  1.00 18.32 ? 32  THR A OG1 1 
ATOM   227  C CG2 . THR A 1 33  ? -7.640  26.360 -6.219  1.00 18.21 ? 32  THR A CG2 1 
ATOM   228  N N   . ALA A 1 34  ? -7.301  23.223 -4.701  1.00 12.98 ? 33  ALA A N   1 
ATOM   229  C CA  . ALA A 1 34  ? -6.262  22.762 -3.798  1.00 12.48 ? 33  ALA A CA  1 
ATOM   230  C C   . ALA A 1 34  ? -4.989  23.565 -4.031  1.00 13.69 ? 33  ALA A C   1 
ATOM   231  O O   . ALA A 1 34  ? -4.595  23.791 -5.175  1.00 14.93 ? 33  ALA A O   1 
ATOM   232  C CB  . ALA A 1 34  ? -6.000  21.275 -4.005  1.00 12.93 ? 33  ALA A CB  1 
ATOM   233  N N   . ASP A 1 35  ? -4.353  23.985 -2.940  1.00 14.03 ? 34  ASP A N   1 
ATOM   234  C CA  . ASP A 1 35  ? -3.091  24.729 -2.994  1.00 14.99 ? 34  ASP A CA  1 
ATOM   235  C C   . ASP A 1 35  ? -1.872  23.820 -3.239  1.00 16.50 ? 34  ASP A C   1 
ATOM   236  O O   . ASP A 1 35  ? -2.016  22.610 -3.446  1.00 14.95 ? 34  ASP A O   1 
ATOM   237  C CB  . ASP A 1 35  ? -2.924  25.611 -1.728  1.00 16.89 ? 34  ASP A CB  1 
ATOM   238  C CG  . ASP A 1 35  ? -2.776  24.809 -0.426  1.00 18.02 ? 34  ASP A CG  1 
ATOM   239  O OD1 . ASP A 1 35  ? -2.413  23.618 -0.458  1.00 16.96 ? 34  ASP A OD1 1 
ATOM   240  O OD2 . ASP A 1 35  ? -3.016  25.399 0.652   1.00 20.47 ? 34  ASP A OD2 1 
ATOM   241  N N   . LYS A 1 36  ? -0.678  24.408 -3.222  1.00 19.11 ? 35  LYS A N   1 
ATOM   242  C CA  . LYS A 1 36  ? 0.578   23.654 -3.397  1.00 20.13 ? 35  LYS A CA  1 
ATOM   243  C C   . LYS A 1 36  ? 0.854   22.579 -2.333  1.00 21.19 ? 35  LYS A C   1 
ATOM   244  O O   . LYS A 1 36  ? 1.732   21.729 -2.527  1.00 26.49 ? 35  LYS A O   1 
ATOM   245  C CB  . LYS A 1 36  ? 1.783   24.607 -3.489  1.00 22.10 ? 35  LYS A CB  1 
ATOM   246  C CG  . LYS A 1 36  ? 2.028   25.476 -2.255  1.00 26.03 ? 35  LYS A CG  1 
ATOM   247  C CD  . LYS A 1 36  ? 3.235   26.398 -2.421  1.00 33.03 ? 35  LYS A CD  1 
ATOM   248  C CE  . LYS A 1 36  ? 3.021   27.768 -1.781  1.00 44.76 ? 35  LYS A CE  1 
ATOM   249  N NZ  . LYS A 1 36  ? 3.092   27.770 -0.292  1.00 50.23 ? 35  LYS A NZ  1 
ATOM   250  N N   . ASP A 1 37  ? 0.127   22.639 -1.221  1.00 18.04 ? 36  ASP A N   1 
ATOM   251  C CA  . ASP A 1 37  ? 0.215   21.659 -0.151  1.00 17.01 ? 36  ASP A CA  1 
ATOM   252  C C   . ASP A 1 37  ? -0.886  20.599 -0.270  1.00 14.88 ? 36  ASP A C   1 
ATOM   253  O O   . ASP A 1 37  ? -0.967  19.711 0.574   1.00 17.38 ? 36  ASP A O   1 
ATOM   254  C CB  . ASP A 1 37  ? 0.098   22.348 1.215   1.00 19.47 ? 36  ASP A CB  1 
ATOM   255  C CG  . ASP A 1 37  ? 1.240   23.323 1.493   1.00 21.72 ? 36  ASP A CG  1 
ATOM   256  O OD1 . ASP A 1 37  ? 2.371   23.084 1.018   1.00 24.87 ? 36  ASP A OD1 1 
ATOM   257  O OD2 . ASP A 1 37  ? 0.997   24.346 2.177   1.00 26.05 ? 36  ASP A OD2 1 
ATOM   258  N N   . GLY A 1 38  ? -1.733  20.708 -1.298  1.00 13.91 ? 37  GLY A N   1 
ATOM   259  C CA  . GLY A 1 38  ? -2.822  19.761 -1.517  1.00 13.86 ? 37  GLY A CA  1 
ATOM   260  C C   . GLY A 1 38  ? -4.044  19.992 -0.657  1.00 13.31 ? 37  GLY A C   1 
ATOM   261  O O   . GLY A 1 38  ? -4.876  19.094 -0.502  1.00 13.42 ? 37  GLY A O   1 
ATOM   262  N N   . VAL A 1 39  ? -4.161  21.200 -0.112  1.00 12.59 ? 38  VAL A N   1 
ATOM   263  C CA  . VAL A 1 39  ? -5.238  21.550 0.795   1.00 12.27 ? 38  VAL A CA  1 
ATOM   264  C C   . VAL A 1 39  ? -6.209  22.486 0.084   1.00 11.63 ? 38  VAL A C   1 
ATOM   265  O O   . VAL A 1 39  ? -5.793  23.508 -0.481  1.00 12.65 ? 38  VAL A O   1 
ATOM   266  C CB  . VAL A 1 39  ? -4.690  22.237 2.070   1.00 14.01 ? 38  VAL A CB  1 
ATOM   267  C CG1 . VAL A 1 39  ? -5.833  22.663 2.988   1.00 14.93 ? 38  VAL A CG1 1 
ATOM   268  C CG2 . VAL A 1 39  ? -3.710  21.308 2.796   1.00 14.21 ? 38  VAL A CG2 1 
ATOM   269  N N   . ALA A 1 40  ? -7.493  22.120 0.106   1.00 11.19 ? 39  ALA A N   1 
ATOM   270  C CA  . ALA A 1 40  ? -8.550  22.942 -0.458  1.00 11.24 ? 39  ALA A CA  1 
ATOM   271  C C   . ALA A 1 40  ? -9.494  23.390 0.648   1.00 12.22 ? 39  ALA A C   1 
ATOM   272  O O   . ALA A 1 40  ? -10.105 22.565 1.315   1.00 15.56 ? 39  ALA A O   1 
ATOM   273  C CB  . ALA A 1 40  ? -9.314  22.164 -1.516  1.00 12.47 ? 39  ALA A CB  1 
ATOM   274  N N   . ASP A 1 41  ? -9.589  24.699 0.843   1.00 12.56 ? 40  ASP A N   1 
ATOM   275  C CA  . ASP A 1 41  ? -10.576 25.289 1.738   1.00 12.52 ? 40  ASP A CA  1 
ATOM   276  C C   . ASP A 1 41  ? -11.852 25.524 0.967   1.00 12.24 ? 40  ASP A C   1 
ATOM   277  O O   . ASP A 1 41  ? -11.841 25.985 -0.175  1.00 14.47 ? 40  ASP A O   1 
ATOM   278  C CB  . ASP A 1 41  ? -10.103 26.632 2.285   1.00 14.80 ? 40  ASP A CB  1 
ATOM   279  C CG  . ASP A 1 41  ? -9.055  26.499 3.355   1.00 16.27 ? 40  ASP A CG  1 
ATOM   280  O OD1 . ASP A 1 41  ? -9.098  25.541 4.156   1.00 19.58 ? 40  ASP A OD1 1 
ATOM   281  O OD2 . ASP A 1 41  ? -8.167  27.374 3.380   1.00 21.44 ? 40  ASP A OD2 1 
ATOM   282  N N   . VAL A 1 42  ? -12.958 25.250 1.633   1.00 11.11 ? 41  VAL A N   1 
ATOM   283  C CA  . VAL A 1 42  ? -14.280 25.379 1.040   1.00 11.81 ? 41  VAL A CA  1 
ATOM   284  C C   . VAL A 1 42  ? -15.097 26.350 1.870   1.00 12.39 ? 41  VAL A C   1 
ATOM   285  O O   . VAL A 1 42  ? -15.176 26.208 3.087   1.00 13.18 ? 41  VAL A O   1 
ATOM   286  C CB  . VAL A 1 42  ? -14.999 24.017 1.001   1.00 13.50 ? 41  VAL A CB  1 
ATOM   287  C CG1 . VAL A 1 42  ? -16.376 24.155 0.366   1.00 15.02 ? 41  VAL A CG1 1 
ATOM   288  C CG2 . VAL A 1 42  ? -14.153 22.992 0.254   1.00 14.41 ? 41  VAL A CG2 1 
ATOM   289  N N   . SER A 1 43  ? -15.705 27.323 1.194   1.00 13.55 ? 42  SER A N   1 
ATOM   290  C CA  . SER A 1 43  ? -16.649 28.251 1.812   1.00 13.83 ? 42  SER A CA  1 
ATOM   291  C C   . SER A 1 43  ? -17.623 28.749 0.742   1.00 14.05 ? 42  SER A C   1 
ATOM   292  O O   . SER A 1 43  ? -17.338 29.720 0.028   1.00 18.90 ? 42  SER A O   1 
ATOM   293  C CB  . SER A 1 43  ? -15.911 29.421 2.457   1.00 19.27 ? 42  SER A CB  1 
ATOM   294  O OG  . SER A 1 43  ? -16.819 30.294 3.115   1.00 22.94 ? 42  SER A OG  1 
ATOM   295  N N   . ILE A 1 44  ? -18.759 28.064 0.636   1.00 15.82 ? 43  ILE A N   1 
ATOM   296  C CA  . ILE A 1 44  ? -19.742 28.255 -0.436  1.00 15.30 ? 43  ILE A CA  1 
ATOM   297  C C   . ILE A 1 44  ? -21.100 28.519 0.211   1.00 15.24 ? 43  ILE A C   1 
ATOM   298  O O   . ILE A 1 44  ? -21.412 28.001 1.285   1.00 16.40 ? 43  ILE A O   1 
ATOM   299  C CB  . ILE A 1 44  ? -19.834 26.975 -1.320  1.00 19.85 ? 43  ILE A CB  1 
ATOM   300  C CG1 . ILE A 1 44  ? -18.526 26.780 -2.101  1.00 22.98 ? 43  ILE A CG1 1 
ATOM   301  C CG2 . ILE A 1 44  ? -21.024 27.015 -2.279  1.00 22.09 ? 43  ILE A CG2 1 
ATOM   302  C CD1 . ILE A 1 44  ? -18.407 25.427 -2.776  1.00 23.49 ? 43  ILE A CD1 1 
ATOM   303  N N   . GLU A 1 45  ? -21.889 29.346 -0.461  1.00 16.33 ? 44  GLU A N   1 
ATOM   304  C CA  . GLU A 1 45  ? -23.290 29.535 -0.163  1.00 17.17 ? 44  GLU A CA  1 
ATOM   305  C C   . GLU A 1 45  ? -24.038 28.992 -1.375  1.00 16.03 ? 44  GLU A C   1 
ATOM   306  O O   . GLU A 1 45  ? -23.649 29.254 -2.527  1.00 16.46 ? 44  GLU A O   1 
ATOM   307  C CB  . GLU A 1 45  ? -23.586 31.022 0.023   1.00 21.68 ? 44  GLU A CB  1 
ATOM   308  C CG  . GLU A 1 45  ? -25.027 31.338 0.364   1.00 26.31 ? 44  GLU A CG  1 
ATOM   309  C CD  . GLU A 1 45  ? -25.267 32.821 0.586   1.00 30.82 ? 44  GLU A CD  1 
ATOM   310  O OE1 . GLU A 1 45  ? -24.448 33.478 1.266   1.00 36.21 ? 44  GLU A OE1 1 
ATOM   311  O OE2 . GLU A 1 45  ? -26.281 33.332 0.081   1.00 33.76 ? 44  GLU A OE2 1 
ATOM   312  N N   . ASP A 1 46  ? -25.085 28.217 -1.126  1.00 14.10 ? 45  ASP A N   1 
ATOM   313  C CA  . ASP A 1 46  ? -25.794 27.530 -2.198  1.00 13.95 ? 45  ASP A CA  1 
ATOM   314  C C   . ASP A 1 46  ? -27.292 27.561 -1.932  1.00 13.89 ? 45  ASP A C   1 
ATOM   315  O O   . ASP A 1 46  ? -27.763 26.973 -0.958  1.00 15.93 ? 45  ASP A O   1 
ATOM   316  C CB  . ASP A 1 46  ? -25.295 26.086 -2.290  1.00 15.46 ? 45  ASP A CB  1 
ATOM   317  C CG  . ASP A 1 46  ? -25.763 25.374 -3.536  1.00 17.72 ? 45  ASP A CG  1 
ATOM   318  O OD1 . ASP A 1 46  ? -26.858 25.682 -4.050  1.00 22.47 ? 45  ASP A OD1 1 
ATOM   319  O OD2 . ASP A 1 46  ? -25.035 24.466 -3.989  1.00 16.75 ? 45  ASP A OD2 1 
ATOM   320  N N   . SER A 1 47  ? -28.028 28.253 -2.805  1.00 16.67 ? 46  SER A N   1 
ATOM   321  C CA  . SER A 1 47  ? -29.478 28.385 -2.662  1.00 17.64 ? 46  SER A CA  1 
ATOM   322  C C   . SER A 1 47  ? -30.257 27.394 -3.533  1.00 18.03 ? 46  SER A C   1 
ATOM   323  O O   . SER A 1 47  ? -31.485 27.446 -3.583  1.00 22.29 ? 46  SER A O   1 
ATOM   324  C CB  . SER A 1 47  ? -29.907 29.834 -2.938  1.00 23.01 ? 46  SER A CB  1 
ATOM   325  O OG  . SER A 1 47  ? -29.612 30.665 -1.816  1.00 25.78 ? 46  SER A OG  1 
ATOM   326  N N   . VAL A 1 48  ? -29.545 26.489 -4.202  1.00 17.49 ? 47  VAL A N   1 
ATOM   327  C CA  . VAL A 1 48  ? -30.170 25.432 -5.003  1.00 19.82 ? 47  VAL A CA  1 
ATOM   328  C C   . VAL A 1 48  ? -30.419 24.174 -4.168  1.00 18.28 ? 47  VAL A C   1 
ATOM   329  O O   . VAL A 1 48  ? -31.471 23.555 -4.281  1.00 22.84 ? 47  VAL A O   1 
ATOM   330  C CB  . VAL A 1 48  ? -29.317 25.090 -6.255  1.00 24.14 ? 47  VAL A CB  1 
ATOM   331  C CG1 . VAL A 1 48  ? -29.830 23.833 -6.952  1.00 25.71 ? 47  VAL A CG1 1 
ATOM   332  C CG2 . VAL A 1 48  ? -29.304 26.267 -7.219  1.00 24.68 ? 47  VAL A CG2 1 
ATOM   333  N N   . ILE A 1 49  ? -29.435 23.782 -3.365  1.00 16.58 ? 48  ILE A N   1 
ATOM   334  C CA  . ILE A 1 49  ? -29.562 22.615 -2.487  1.00 14.61 ? 48  ILE A CA  1 
ATOM   335  C C   . ILE A 1 49  ? -30.316 22.959 -1.204  1.00 14.34 ? 48  ILE A C   1 
ATOM   336  O O   . ILE A 1 49  ? -30.462 24.124 -0.845  1.00 17.04 ? 48  ILE A O   1 
ATOM   337  C CB  . ILE A 1 49  ? -28.178 21.999 -2.132  1.00 14.96 ? 48  ILE A CB  1 
ATOM   338  C CG1 . ILE A 1 49  ? -27.345 22.945 -1.243  1.00 14.05 ? 48  ILE A CG1 1 
ATOM   339  C CG2 . ILE A 1 49  ? -27.439 21.603 -3.405  1.00 15.32 ? 48  ILE A CG2 1 
ATOM   340  C CD1 . ILE A 1 49  ? -25.933 22.470 -0.922  1.00 14.83 ? 48  ILE A CD1 1 
ATOM   341  N N   . SER A 1 50  ? -30.787 21.932 -0.515  1.00 14.76 ? 49  SER A N   1 
ATOM   342  C CA  . SER A 1 50  ? -31.472 22.099 0.768   1.00 14.93 ? 49  SER A CA  1 
ATOM   343  C C   . SER A 1 50  ? -31.156 20.939 1.697   1.00 15.52 ? 49  SER A C   1 
ATOM   344  O O   . SER A 1 50  ? -30.828 19.843 1.236   1.00 15.61 ? 49  SER A O   1 
ATOM   345  C CB  . SER A 1 50  ? -32.983 22.187 0.575   1.00 16.85 ? 49  SER A CB  1 
ATOM   346  O OG  . SER A 1 50  ? -33.631 22.496 1.789   1.00 18.23 ? 49  SER A OG  1 
ATOM   347  N N   . LEU A 1 51  ? -31.243 21.196 3.003   1.00 15.42 ? 50  LEU A N   1 
ATOM   348  C CA  . LEU A 1 51  ? -31.107 20.146 4.020   1.00 16.71 ? 50  LEU A CA  1 
ATOM   349  C C   . LEU A 1 51  ? -32.458 19.623 4.520   1.00 18.44 ? 50  LEU A C   1 
ATOM   350  O O   . LEU A 1 51  ? -32.514 18.798 5.425   1.00 19.50 ? 50  LEU A O   1 
ATOM   351  C CB  . LEU A 1 51  ? -30.270 20.641 5.204   1.00 16.91 ? 50  LEU A CB  1 
ATOM   352  C CG  . LEU A 1 51  ? -28.875 21.173 4.877   1.00 15.65 ? 50  LEU A CG  1 
ATOM   353  C CD1 . LEU A 1 51  ? -28.144 21.506 6.177   1.00 16.36 ? 50  LEU A CD1 1 
ATOM   354  C CD2 . LEU A 1 51  ? -28.058 20.192 4.039   1.00 17.88 ? 50  LEU A CD2 1 
ATOM   355  N N   . SER A 1 52  ? -33.545 20.088 3.923   1.00 22.36 ? 51  SER A N   1 
ATOM   356  C CA  . SER A 1 52  ? -34.874 19.613 4.302   1.00 25.43 ? 51  SER A CA  1 
ATOM   357  C C   . SER A 1 52  ? -35.781 19.548 3.088   1.00 31.05 ? 51  SER A C   1 
ATOM   358  O O   . SER A 1 52  ? -35.421 20.024 2.006   1.00 32.67 ? 51  SER A O   1 
ATOM   359  C CB  . SER A 1 52  ? -35.474 20.501 5.395   1.00 35.36 ? 51  SER A CB  1 
ATOM   360  O OG  . SER A 1 52  ? -35.515 21.863 4.999   1.00 39.30 ? 51  SER A OG  1 
ATOM   361  N N   . GLY A 1 53  ? -36.946 18.935 3.269   1.00 35.32 ? 52  GLY A N   1 
ATOM   362  C CA  . GLY A 1 53  ? -37.908 18.778 2.184   1.00 41.82 ? 52  GLY A CA  1 
ATOM   363  C C   . GLY A 1 53  ? -37.628 17.557 1.330   1.00 44.11 ? 52  GLY A C   1 
ATOM   364  O O   . GLY A 1 53  ? -36.721 16.771 1.618   1.00 42.91 ? 52  GLY A O   1 
ATOM   365  N N   . ASP A 1 54  ? -38.403 17.416 0.260   1.00 50.73 ? 53  ASP A N   1 
ATOM   366  C CA  . ASP A 1 54  ? -38.374 16.196 -0.555  1.00 60.31 ? 53  ASP A CA  1 
ATOM   367  C C   . ASP A 1 54  ? -37.095 16.029 -1.391  1.00 49.49 ? 53  ASP A C   1 
ATOM   368  O O   . ASP A 1 54  ? -36.828 14.937 -1.896  1.00 55.90 ? 53  ASP A O   1 
ATOM   369  C CB  . ASP A 1 54  ? -39.640 16.076 -1.433  1.00 68.77 ? 53  ASP A CB  1 
ATOM   370  C CG  . ASP A 1 54  ? -39.895 17.306 -2.299  1.00 72.72 ? 53  ASP A CG  1 
ATOM   371  O OD1 . ASP A 1 54  ? -38.927 17.999 -2.679  1.00 76.39 ? 53  ASP A OD1 1 
ATOM   372  O OD2 . ASP A 1 54  ? -41.077 17.573 -2.609  1.00 79.44 ? 53  ASP A OD2 1 
ATOM   373  N N   . HIS A 1 55  ? -36.309 17.098 -1.526  1.00 39.61 ? 54  HIS A N   1 
ATOM   374  C CA  . HIS A 1 55  ? -35.020 17.025 -2.216  1.00 37.92 ? 54  HIS A CA  1 
ATOM   375  C C   . HIS A 1 55  ? -33.831 17.284 -1.280  1.00 28.31 ? 54  HIS A C   1 
ATOM   376  O O   . HIS A 1 55  ? -32.745 17.661 -1.730  1.00 31.61 ? 54  HIS A O   1 
ATOM   377  C CB  . HIS A 1 55  ? -34.994 18.006 -3.389  1.00 46.91 ? 54  HIS A CB  1 
ATOM   378  C CG  . HIS A 1 55  ? -35.814 17.559 -4.555  1.00 50.48 ? 54  HIS A CG  1 
ATOM   379  N ND1 . HIS A 1 55  ? -37.027 18.128 -4.878  0.48 43.24 ? 54  HIS A ND1 1 
ATOM   380  C CD2 . HIS A 1 55  ? -35.605 16.576 -5.464  1.00 63.97 ? 54  HIS A CD2 1 
ATOM   381  C CE1 . HIS A 1 55  ? -37.524 17.524 -5.942  1.00 52.75 ? 54  HIS A CE1 1 
ATOM   382  N NE2 . HIS A 1 55  ? -36.681 16.577 -6.317  1.00 63.27 ? 54  HIS A NE2 1 
ATOM   383  N N   . SER A 1 56  ? -34.029 17.052 0.013   1.00 25.89 ? 55  SER A N   1 
ATOM   384  C CA  . SER A 1 56  ? -32.951 17.181 0.984   1.00 20.39 ? 55  SER A CA  1 
ATOM   385  C C   . SER A 1 56  ? -31.730 16.370 0.573   1.00 18.15 ? 55  SER A C   1 
ATOM   386  O O   . SER A 1 56  ? -31.863 15.233 0.116   1.00 22.45 ? 55  SER A O   1 
ATOM   387  C CB  . SER A 1 56  ? -33.426 16.709 2.353   1.00 21.84 ? 55  SER A CB  1 
ATOM   388  O OG  . SER A 1 56  ? -32.344 16.610 3.249   1.00 18.88 ? 55  SER A OG  1 
ATOM   389  N N   . ILE A 1 57  ? -30.542 16.947 0.757   1.00 15.75 ? 56  ILE A N   1 
ATOM   390  C CA  . ILE A 1 57  ? -29.301 16.231 0.453   1.00 15.41 ? 56  ILE A CA  1 
ATOM   391  C C   . ILE A 1 57  ? -28.802 15.362 1.609   1.00 13.78 ? 56  ILE A C   1 
ATOM   392  O O   . ILE A 1 57  ? -27.801 14.668 1.465   1.00 14.62 ? 56  ILE A O   1 
ATOM   393  C CB  . ILE A 1 57  ? -28.173 17.164 -0.026  1.00 16.38 ? 56  ILE A CB  1 
ATOM   394  C CG1 . ILE A 1 57  ? -27.751 18.137 1.074   1.00 15.78 ? 56  ILE A CG1 1 
ATOM   395  C CG2 . ILE A 1 57  ? -28.619 17.908 -1.284  1.00 19.11 ? 56  ILE A CG2 1 
ATOM   396  C CD1 . ILE A 1 57  ? -26.577 19.006 0.693   1.00 17.77 ? 56  ILE A CD1 1 
ATOM   397  N N   . ILE A 1 58  ? -29.503 15.377 2.740   1.00 13.10 ? 57  ILE A N   1 
ATOM   398  C CA  . ILE A 1 58  ? -29.170 14.489 3.852   1.00 12.63 ? 57  ILE A CA  1 
ATOM   399  C C   . ILE A 1 58  ? -29.225 13.036 3.363   1.00 11.91 ? 57  ILE A C   1 
ATOM   400  O O   . ILE A 1 58  ? -30.211 12.598 2.766   1.00 14.95 ? 57  ILE A O   1 
ATOM   401  C CB  . ILE A 1 58  ? -30.131 14.682 5.047   1.00 15.21 ? 57  ILE A CB  1 
ATOM   402  C CG1 . ILE A 1 58  ? -30.053 16.110 5.593   1.00 19.01 ? 57  ILE A CG1 1 
ATOM   403  C CG2 . ILE A 1 58  ? -29.855 13.667 6.148   1.00 15.56 ? 57  ILE A CG2 1 
ATOM   404  C CD1 . ILE A 1 58  ? -28.702 16.529 6.091   1.00 20.85 ? 57  ILE A CD1 1 
ATOM   405  N N   . GLY A 1 59  ? -28.152 12.297 3.628   1.00 11.81 ? 58  GLY A N   1 
ATOM   406  C CA  . GLY A 1 59  ? -28.039 10.920 3.198   1.00 12.25 ? 58  GLY A CA  1 
ATOM   407  C C   . GLY A 1 59  ? -27.540 10.713 1.785   1.00 12.84 ? 58  GLY A C   1 
ATOM   408  O O   . GLY A 1 59  ? -27.350 9.565  1.375   1.00 13.17 ? 58  GLY A O   1 
ATOM   409  N N   . ARG A 1 60  ? -27.360 11.798 1.025   1.00 11.16 ? 59  ARG A N   1 
ATOM   410  C CA  . ARG A 1 60  ? -26.742 11.702 -0.284  1.00 10.66 ? 59  ARG A CA  1 
ATOM   411  C C   . ARG A 1 60  ? -25.226 11.690 -0.125  1.00 10.01 ? 59  ARG A C   1 
ATOM   412  O O   . ARG A 1 60  ? -24.684 12.112 0.906   1.00 10.91 ? 59  ARG A O   1 
ATOM   413  C CB  . ARG A 1 60  ? -27.194 12.833 -1.201  1.00 10.71 ? 59  ARG A CB  1 
ATOM   414  C CG  . ARG A 1 60  ? -28.670 12.758 -1.536  1.00 14.47 ? 59  ARG A CG  1 
ATOM   415  C CD  . ARG A 1 60  ? -29.050 13.794 -2.580  1.00 19.45 ? 59  ARG A CD  1 
ATOM   416  N NE  . ARG A 1 60  ? -30.493 13.980 -2.667  1.00 25.47 ? 59  ARG A NE  1 
ATOM   417  C CZ  . ARG A 1 60  ? -31.088 14.943 -3.368  1.00 30.92 ? 59  ARG A CZ  1 
ATOM   418  N NH1 . ARG A 1 60  ? -30.364 15.829 -4.050  1.00 27.32 ? 59  ARG A NH1 1 
ATOM   419  N NH2 . ARG A 1 60  ? -32.418 15.021 -3.385  1.00 38.92 ? 59  ARG A NH2 1 
ATOM   420  N N   . THR A 1 61  ? -24.543 11.208 -1.151  1.00 10.01 ? 60  THR A N   1 
ATOM   421  C CA  . THR A 1 61  ? -23.096 11.110 -1.128  1.00 10.45 ? 60  THR A CA  1 
ATOM   422  C C   . THR A 1 61  ? -22.451 12.349 -1.748  1.00 9.70  ? 60  THR A C   1 
ATOM   423  O O   . THR A 1 61  ? -22.812 12.769 -2.856  1.00 11.72 ? 60  THR A O   1 
ATOM   424  C CB  . THR A 1 61  ? -22.625 9.840  -1.875  1.00 12.15 ? 60  THR A CB  1 
ATOM   425  O OG1 . THR A 1 61  ? -23.139 8.677  -1.211  1.00 15.01 ? 60  THR A OG1 1 
ATOM   426  C CG2 . THR A 1 61  ? -21.104 9.756  -1.925  1.00 13.97 ? 60  THR A CG2 1 
ATOM   427  N N   . LEU A 1 62  ? -21.507 12.927 -1.014  1.00 10.21 ? 61  LEU A N   1 
ATOM   428  C CA  . LEU A 1 62  ? -20.703 14.040 -1.494  1.00 9.74  ? 61  LEU A CA  1 
ATOM   429  C C   . LEU A 1 62  ? -19.432 13.464 -2.084  1.00 9.36  ? 61  LEU A C   1 
ATOM   430  O O   . LEU A 1 62  ? -18.820 12.583 -1.478  1.00 9.76  ? 61  LEU A O   1 
ATOM   431  C CB  . LEU A 1 62  ? -20.343 14.960 -0.334  1.00 10.25 ? 61  LEU A CB  1 
ATOM   432  C CG  . LEU A 1 62  ? -19.539 16.221 -0.659  1.00 10.38 ? 61  LEU A CG  1 
ATOM   433  C CD1 . LEU A 1 62  ? -20.325 17.192 -1.531  1.00 10.26 ? 61  LEU A CD1 1 
ATOM   434  C CD2 . LEU A 1 62  ? -19.149 16.871 0.663   1.00 10.79 ? 61  LEU A CD2 1 
ATOM   435  N N   . VAL A 1 63  ? -19.023 13.958 -3.244  1.00 9.30  ? 62  VAL A N   1 
ATOM   436  C CA  . VAL A 1 63  ? -17.819 13.460 -3.898  1.00 9.21  ? 62  VAL A CA  1 
ATOM   437  C C   . VAL A 1 63  ? -16.897 14.596 -4.341  1.00 9.26  ? 62  VAL A C   1 
ATOM   438  O O   . VAL A 1 63  ? -17.344 15.711 -4.623  1.00 9.87  ? 62  VAL A O   1 
ATOM   439  C CB  . VAL A 1 63  ? -18.149 12.565 -5.112  1.00 11.22 ? 62  VAL A CB  1 
ATOM   440  C CG1 . VAL A 1 63  ? -19.095 11.433 -4.710  1.00 11.95 ? 62  VAL A CG1 1 
ATOM   441  C CG2 . VAL A 1 63  ? -18.732 13.361 -6.260  1.00 13.22 ? 62  VAL A CG2 1 
ATOM   442  N N   . VAL A 1 64  ? -15.607 14.287 -4.401  1.00 10.26 ? 63  VAL A N   1 
ATOM   443  C CA  . VAL A 1 64  ? -14.621 15.170 -4.983  1.00 10.45 ? 63  VAL A CA  1 
ATOM   444  C C   . VAL A 1 64  ? -13.770 14.362 -5.962  1.00 10.55 ? 63  VAL A C   1 
ATOM   445  O O   . VAL A 1 64  ? -13.300 13.282 -5.638  1.00 11.75 ? 63  VAL A O   1 
ATOM   446  C CB  . VAL A 1 64  ? -13.761 15.897 -3.918  1.00 13.15 ? 63  VAL A CB  1 
ATOM   447  C CG1 . VAL A 1 64  ? -13.055 14.937 -2.994  1.00 14.97 ? 63  VAL A CG1 1 
ATOM   448  C CG2 . VAL A 1 64  ? -12.737 16.816 -4.569  1.00 11.95 ? 63  VAL A CG2 1 
ATOM   449  N N   . HIS A 1 65  ? -13.592 14.890 -7.168  1.00 10.77 ? 64  HIS A N   1 
ATOM   450  C CA  . HIS A 1 65  ? -12.752 14.255 -8.172  1.00 11.90 ? 64  HIS A CA  1 
ATOM   451  C C   . HIS A 1 65  ? -11.311 14.363 -7.736  1.00 13.03 ? 64  HIS A C   1 
ATOM   452  O O   . HIS A 1 65  ? -10.835 15.458 -7.480  1.00 14.32 ? 64  HIS A O   1 
ATOM   453  C CB  . HIS A 1 65  ? -12.916 14.944 -9.528  1.00 13.38 ? 64  HIS A CB  1 
ATOM   454  C CG  . HIS A 1 65  ? -14.176 14.574 -10.245 1.00 19.14 ? 64  HIS A CG  1 
ATOM   455  N ND1 . HIS A 1 65  ? -14.217 14.345 -11.604 1.00 25.64 ? 64  HIS A ND1 1 
ATOM   456  C CD2 . HIS A 1 65  ? -15.436 14.378 -9.793  1.00 19.25 ? 64  HIS A CD2 1 
ATOM   457  C CE1 . HIS A 1 65  ? -15.453 14.036 -11.960 1.00 28.02 ? 64  HIS A CE1 1 
ATOM   458  N NE2 . HIS A 1 65  ? -16.210 14.042 -10.879 1.00 22.12 ? 64  HIS A NE2 1 
ATOM   459  N N   . GLU A 1 66  ? -10.622 13.230 -7.648  1.00 13.53 ? 65  GLU A N   1 
ATOM   460  C CA  . GLU A 1 66  ? -9.206  13.238 -7.280  1.00 14.52 ? 65  GLU A CA  1 
ATOM   461  C C   . GLU A 1 66  ? -8.323  13.729 -8.425  1.00 17.13 ? 65  GLU A C   1 
ATOM   462  O O   . GLU A 1 66  ? -7.256  14.281 -8.180  1.00 18.06 ? 65  GLU A O   1 
ATOM   463  C CB  . GLU A 1 66  ? -8.777  11.862 -6.772  1.00 15.34 ? 65  GLU A CB  1 
ATOM   464  C CG  . GLU A 1 66  ? -9.391  11.540 -5.418  1.00 16.26 ? 65  GLU A CG  1 
ATOM   465  C CD  . GLU A 1 66  ? -9.034  10.169 -4.875  1.00 20.09 ? 65  GLU A CD  1 
ATOM   466  O OE1 . GLU A 1 66  ? -8.694  9.265  -5.663  1.00 24.30 ? 65  GLU A OE1 1 
ATOM   467  O OE2 . GLU A 1 66  ? -9.117  9.994  -3.645  1.00 19.86 ? 65  GLU A OE2 1 
ATOM   468  N N   . LYS A 1 67  ? -8.759  13.539 -9.667  1.00 17.82 ? 66  LYS A N   1 
ATOM   469  C CA  . LYS A 1 67  ? -8.043  14.083 -10.823 1.00 19.81 ? 66  LYS A CA  1 
ATOM   470  C C   . LYS A 1 67  ? -8.338  15.576 -10.927 1.00 19.44 ? 66  LYS A C   1 
ATOM   471  O O   . LYS A 1 67  ? -9.501  15.982 -10.892 1.00 19.84 ? 66  LYS A O   1 
ATOM   472  C CB  . LYS A 1 67  ? -8.479  13.377 -12.106 1.00 21.71 ? 66  LYS A CB  1 
ATOM   473  C CG  . LYS A 1 67  ? -7.627  13.703 -13.326 1.00 27.51 ? 66  LYS A CG  1 
ATOM   474  C CD  . LYS A 1 67  ? -7.900  12.730 -14.467 1.00 34.60 ? 66  LYS A CD  1 
ATOM   475  C CE  . LYS A 1 67  ? -6.836  12.815 -15.555 1.00 42.08 ? 66  LYS A CE  1 
ATOM   476  N NZ  . LYS A 1 67  ? -6.880  14.106 -16.289 1.00 52.45 ? 66  LYS A NZ  1 
ATOM   477  N N   . ALA A 1 68  ? -7.286  16.385 -11.027 1.00 21.44 ? 67  ALA A N   1 
ATOM   478  C CA  . ALA A 1 68  ? -7.431  17.828 -11.185 1.00 18.82 ? 67  ALA A CA  1 
ATOM   479  C C   . ALA A 1 68  ? -7.898  18.161 -12.601 1.00 21.29 ? 67  ALA A C   1 
ATOM   480  O O   . ALA A 1 68  ? -7.571  17.451 -13.556 1.00 26.06 ? 67  ALA A O   1 
ATOM   481  C CB  . ALA A 1 68  ? -6.117  18.543 -10.872 1.00 20.20 ? 67  ALA A CB  1 
ATOM   482  N N   . GLY A 1 69  ? -8.664  19.243 -12.722 1.00 25.88 ? 68  GLY A N   1 
ATOM   483  C CA  . GLY A 1 69  ? -9.133  19.735 -14.013 1.00 29.49 ? 68  GLY A CA  1 
ATOM   484  C C   . GLY A 1 69  ? -10.457 19.111 -14.400 1.00 33.48 ? 68  GLY A C   1 
ATOM   485  O O   . GLY A 1 69  ? -11.072 18.401 -13.605 1.00 40.29 ? 68  GLY A O   1 
ATOM   486  N N   . ALA A 1 70  ? -10.887 19.368 -15.633 1.00 46.48 ? 69  ALA A N   1 
ATOM   487  C CA  . ALA A 1 70  ? -12.179 18.869 -16.119 1.00 52.86 ? 69  ALA A CA  1 
ATOM   488  C C   . ALA A 1 70  ? -12.073 17.518 -16.857 1.00 68.21 ? 69  ALA A C   1 
ATOM   489  O O   . ALA A 1 70  ? -13.023 17.101 -17.523 1.00 76.65 ? 69  ALA A O   1 
ATOM   490  C CB  . ALA A 1 70  ? -12.834 19.917 -17.011 1.00 60.82 ? 69  ALA A CB  1 
ATOM   491  N N   . GLY A 1 71  ? -10.938 16.828 -16.713 1.00 68.95 ? 70  GLY A N   1 
ATOM   492  C CA  . GLY A 1 71  ? -10.659 15.594 -17.464 1.00 56.88 ? 70  GLY A CA  1 
ATOM   493  C C   . GLY A 1 71  ? -11.367 14.331 -16.993 1.00 62.35 ? 70  GLY A C   1 
ATOM   494  O O   . GLY A 1 71  ? -11.878 14.267 -15.873 1.00 67.18 ? 70  GLY A O   1 
ATOM   495  N N   . ALA A 1 72  ? -11.375 13.316 -17.859 1.00 65.60 ? 71  ALA A N   1 
ATOM   496  C CA  . ALA A 1 72  ? -12.068 12.043 -17.602 1.00 64.97 ? 71  ALA A CA  1 
ATOM   497  C C   . ALA A 1 72  ? -11.205 11.040 -16.826 1.00 48.07 ? 71  ALA A C   1 
ATOM   498  O O   . ALA A 1 72  ? -9.994  11.220 -16.691 1.00 48.32 ? 71  ALA A O   1 
ATOM   499  C CB  . ALA A 1 72  ? -12.523 11.423 -18.920 1.00 68.04 ? 71  ALA A CB  1 
ATOM   500  N N   . GLY A 1 73  ? -11.845 9.986  -16.320 1.00 48.33 ? 72  GLY A N   1 
ATOM   501  C CA  . GLY A 1 73  ? -11.144 8.869  -15.675 1.00 47.87 ? 72  GLY A CA  1 
ATOM   502  C C   . GLY A 1 73  ? -10.670 9.132  -14.254 1.00 43.45 ? 72  GLY A C   1 
ATOM   503  O O   . GLY A 1 73  ? -9.746  8.471  -13.766 1.00 42.07 ? 72  GLY A O   1 
ATOM   504  N N   . SER A 1 74  ? -11.305 10.091 -13.584 1.00 35.76 ? 73  SER A N   1 
ATOM   505  C CA  . SER A 1 74  ? -10.964 10.419 -12.210 1.00 33.13 ? 73  SER A CA  1 
ATOM   506  C C   . SER A 1 74  ? -11.520 9.386  -11.223 1.00 30.87 ? 73  SER A C   1 
ATOM   507  O O   . SER A 1 74  ? -12.608 8.832  -11.407 1.00 41.94 ? 73  SER A O   1 
ATOM   508  C CB  . SER A 1 74  ? -11.501 11.810 -11.852 1.00 28.50 ? 73  SER A CB  1 
ATOM   509  O OG  . SER A 1 74  ? -11.232 12.145 -10.507 1.00 20.08 ? 73  SER A OG  1 
ATOM   510  N N   . ARG A 1 75  ? -10.733 9.149  -10.181 1.00 29.88 ? 74  ARG A N   1 
ATOM   511  C CA  . ARG A 1 75  ? -11.162 8.413  -9.007  1.00 23.73 ? 74  ARG A CA  1 
ATOM   512  C C   . ARG A 1 75  ? -11.836 9.451  -8.094  1.00 16.18 ? 74  ARG A C   1 
ATOM   513  O O   . ARG A 1 75  ? -11.689 10.656 -8.321  1.00 18.77 ? 74  ARG A O   1 
ATOM   514  C CB  . ARG A 1 75  ? -9.936  7.765  -8.369  1.00 28.90 ? 74  ARG A CB  1 
ATOM   515  C CG  . ARG A 1 75  ? -9.243  6.787  -9.321  1.00 34.75 ? 74  ARG A CG  1 
ATOM   516  C CD  . ARG A 1 75  ? -8.131  6.000  -8.649  1.00 48.34 ? 74  ARG A CD  1 
ATOM   517  N NE  . ARG A 1 75  ? -7.102  6.885  -8.111  1.00 48.65 ? 74  ARG A NE  1 
ATOM   518  C CZ  . ARG A 1 75  ? -6.086  6.493  -7.342  1.00 56.31 ? 74  ARG A CZ  1 
ATOM   519  N NH1 . ARG A 1 75  ? -5.936  5.214  -6.997  1.00 58.75 ? 74  ARG A NH1 1 
ATOM   520  N NH2 . ARG A 1 75  ? -5.211  7.394  -6.911  1.00 59.22 ? 74  ARG A NH2 1 
ATOM   521  N N   . LEU A 1 76  ? -12.601 8.996  -7.104  1.00 15.89 ? 75  LEU A N   1 
ATOM   522  C CA  . LEU A 1 76  ? -13.331 9.898  -6.196  1.00 12.26 ? 75  LEU A CA  1 
ATOM   523  C C   . LEU A 1 76  ? -12.942 9.683  -4.752  1.00 13.09 ? 75  LEU A C   1 
ATOM   524  O O   . LEU A 1 76  ? -12.672 8.559  -4.329  1.00 16.72 ? 75  LEU A O   1 
ATOM   525  C CB  . LEU A 1 76  ? -14.844 9.671  -6.274  1.00 13.27 ? 75  LEU A CB  1 
ATOM   526  C CG  . LEU A 1 76  ? -15.544 9.704  -7.629  1.00 13.64 ? 75  LEU A CG  1 
ATOM   527  C CD1 . LEU A 1 76  ? -17.013 9.345  -7.479  1.00 15.78 ? 75  LEU A CD1 1 
ATOM   528  C CD2 . LEU A 1 76  ? -15.386 11.066 -8.270  1.00 15.65 ? 75  LEU A CD2 1 
ATOM   529  N N   . ALA A 1 77  ? -12.939 10.771 -3.995  1.00 13.29 ? 76  ALA A N   1 
ATOM   530  C CA  . ALA A 1 77  ? -13.076 10.696 -2.554  1.00 12.64 ? 76  ALA A CA  1 
ATOM   531  C C   . ALA A 1 77  ? -14.529 11.011 -2.250  1.00 11.13 ? 76  ALA A C   1 
ATOM   532  O O   . ALA A 1 77  ? -15.141 11.853 -2.908  1.00 11.36 ? 76  ALA A O   1 
ATOM   533  C CB  . ALA A 1 77  ? -12.143 11.672 -1.870  1.00 15.22 ? 76  ALA A CB  1 
ATOM   534  N N   . SER A 1 78  ? -15.099 10.312 -1.280  1.00 10.30 ? 77  SER A N   1 
ATOM   535  C CA  . SER A 1 78  ? -16.535 10.406 -1.052  1.00 11.89 ? 77  SER A CA  1 
ATOM   536  C C   . SER A 1 78  ? -16.879 10.227 0.411   1.00 11.28 ? 77  SER A C   1 
ATOM   537  O O   . SER A 1 78  ? -16.100 9.672  1.192   1.00 12.18 ? 77  SER A O   1 
ATOM   538  C CB  . SER A 1 78  ? -17.293 9.345  -1.880  1.00 18.72 ? 77  SER A CB  1 
ATOM   539  O OG  . SER A 1 78  ? -16.994 8.052  -1.423  1.00 20.80 ? 77  SER A OG  1 
ATOM   540  N N   . GLY A 1 79  ? -18.067 10.697 0.763   1.00 11.19 ? 78  GLY A N   1 
ATOM   541  C CA  . GLY A 1 79  ? -18.626 10.460 2.084   1.00 10.37 ? 78  GLY A CA  1 
ATOM   542  C C   . GLY A 1 79  ? -20.093 10.790 2.080   1.00 10.54 ? 78  GLY A C   1 
ATOM   543  O O   . GLY A 1 79  ? -20.536 11.626 1.298   1.00 12.23 ? 78  GLY A O   1 
ATOM   544  N N   . VAL A 1 80  ? -20.839 10.134 2.956   1.00 11.45 ? 79  VAL A N   1 
ATOM   545  C CA  . VAL A 1 80  ? -22.282 10.341 3.041   1.00 10.92 ? 79  VAL A CA  1 
ATOM   546  C C   . VAL A 1 80  ? -22.549 11.570 3.907   1.00 10.56 ? 79  VAL A C   1 
ATOM   547  O O   . VAL A 1 80  ? -21.910 11.750 4.946   1.00 11.67 ? 79  VAL A O   1 
ATOM   548  C CB  . VAL A 1 80  ? -22.983 9.110  3.627   1.00 11.75 ? 79  VAL A CB  1 
ATOM   549  C CG1 . VAL A 1 80  ? -24.485 9.333  3.709   1.00 12.60 ? 79  VAL A CG1 1 
ATOM   550  C CG2 . VAL A 1 80  ? -22.683 7.889  2.769   1.00 14.54 ? 79  VAL A CG2 1 
ATOM   551  N N   . ILE A 1 81  ? -23.491 12.407 3.481   1.00 10.20 ? 80  ILE A N   1 
ATOM   552  C CA  . ILE A 1 81  ? -23.886 13.590 4.245   1.00 9.66  ? 80  ILE A CA  1 
ATOM   553  C C   . ILE A 1 81  ? -24.776 13.139 5.403   1.00 10.17 ? 80  ILE A C   1 
ATOM   554  O O   . ILE A 1 81  ? -25.900 12.681 5.186   1.00 12.22 ? 80  ILE A O   1 
ATOM   555  C CB  . ILE A 1 81  ? -24.614 14.599 3.341   1.00 9.68  ? 80  ILE A CB  1 
ATOM   556  C CG1 . ILE A 1 81  ? -23.665 15.058 2.232   1.00 10.61 ? 80  ILE A CG1 1 
ATOM   557  C CG2 . ILE A 1 81  ? -25.148 15.802 4.131   1.00 9.73  ? 80  ILE A CG2 1 
ATOM   558  C CD1 . ILE A 1 81  ? -24.323 15.848 1.125   1.00 11.49 ? 80  ILE A CD1 1 
ATOM   559  N N   . GLY A 1 82  ? -24.243 13.247 6.618   1.00 11.06 ? 81  GLY A N   1 
ATOM   560  C CA  . GLY A 1 82  ? -24.925 12.791 7.821   1.00 10.90 ? 81  GLY A CA  1 
ATOM   561  C C   . GLY A 1 82  ? -25.465 13.925 8.651   1.00 11.60 ? 81  GLY A C   1 
ATOM   562  O O   . GLY A 1 82  ? -24.911 15.024 8.646   1.00 14.59 ? 81  GLY A O   1 
ATOM   563  N N   . ILE A 1 83  ? -26.531 13.652 9.389   1.00 11.67 ? 82  ILE A N   1 
ATOM   564  C CA  . ILE A 1 83  ? -27.138 14.655 10.255  1.00 14.43 ? 82  ILE A CA  1 
ATOM   565  C C   . ILE A 1 83  ? -26.211 14.926 11.429  1.00 16.49 ? 82  ILE A C   1 
ATOM   566  O O   . ILE A 1 83  ? -25.668 13.994 12.008  1.00 19.28 ? 82  ILE A O   1 
ATOM   567  C CB  . ILE A 1 83  ? -28.475 14.161 10.829  1.00 17.67 ? 82  ILE A CB  1 
ATOM   568  C CG1 . ILE A 1 83  ? -29.471 13.946 9.702   1.00 20.64 ? 82  ILE A CG1 1 
ATOM   569  C CG2 . ILE A 1 83  ? -28.999 15.152 11.858  1.00 22.01 ? 82  ILE A CG2 1 
ATOM   570  C CD1 . ILE A 1 83  ? -30.671 13.123 10.104  1.00 22.96 ? 82  ILE A CD1 1 
ATOM   571  N N   . ALA A 1 84  ? -26.039 16.205 11.755  1.00 18.12 ? 83  ALA A N   1 
ATOM   572  C CA  . ALA A 1 84  ? -25.381 16.638 12.985  1.00 19.70 ? 83  ALA A CA  1 
ATOM   573  C C   . ALA A 1 84  ? -26.415 17.324 13.885  1.00 24.24 ? 83  ALA A C   1 
ATOM   574  O O   . ALA A 1 84  ? -27.381 17.891 13.396  1.00 27.56 ? 83  ALA A O   1 
ATOM   575  C CB  . ALA A 1 84  ? -24.238 17.590 12.655  1.00 22.21 ? 83  ALA A CB  1 
ATOM   576  N N   . GLN A 1 85  ? -26.221 17.271 15.195  1.00 33.31 ? 84  GLN A N   1 
ATOM   577  C CA  . GLN A 1 85  ? -27.135 17.964 16.116  1.00 39.59 ? 84  GLN A CA  1 
ATOM   578  C C   . GLN A 1 85  ? -27.022 19.478 15.919  1.00 40.09 ? 84  GLN A C   1 
ATOM   579  O O   . GLN A 1 85  ? -25.919 20.023 15.896  1.00 47.91 ? 84  GLN A O   1 
ATOM   580  C CB  . GLN A 1 85  ? -26.835 17.581 17.573  1.00 49.07 ? 84  GLN A CB  1 
ATOM   581  C CG  . GLN A 1 85  ? -27.536 18.427 18.627  1.00 46.70 ? 84  GLN A CG  1 
ATOM   582  C CD  . GLN A 1 85  ? -27.393 17.845 20.023  1.00 58.67 ? 84  GLN A CD  1 
ATOM   583  O OE1 . GLN A 1 85  ? -26.761 18.442 20.898  1.00 52.34 ? 84  GLN A OE1 1 
ATOM   584  N NE2 . GLN A 1 85  ? -27.976 16.668 20.237  1.00 76.01 ? 84  GLN A NE2 1 
ATOM   585  N N   . ALA A 1 86  ? -28.154 20.154 15.763  1.00 45.00 ? 85  ALA A N   1 
ATOM   586  C CA  . ALA A 1 86  ? -28.141 21.612 15.623  1.00 46.91 ? 85  ALA A CA  1 
ATOM   587  C C   . ALA A 1 86  ? -28.874 22.277 16.773  1.00 58.62 ? 85  ALA A C   1 
ATOM   588  O O   . ALA A 1 86  ? -29.660 21.640 17.475  1.00 59.96 ? 85  ALA A O   1 
ATOM   589  C CB  . ALA A 1 86  ? -28.758 22.025 14.298  1.00 46.35 ? 85  ALA A CB  1 
ATOM   590  N N   . GLY A 1 87  ? -28.594 23.564 16.958  1.00 64.10 ? 86  GLY A N   1 
ATOM   591  C CA  . GLY A 1 87  ? -29.324 24.389 17.910  1.00 67.99 ? 86  GLY A CA  1 
ATOM   592  C C   . GLY A 1 87  ? -30.673 24.774 17.328  1.00 77.06 ? 86  GLY A C   1 
ATOM   593  O O   . GLY A 1 87  ? -31.015 24.376 16.209  1.00 73.11 ? 86  GLY A O   1 
ATOM   594  N N   . ALA A 1 88  ? -31.442 25.552 18.085  1.00 78.70 ? 87  ALA A N   1 
ATOM   595  C CA  . ALA A 1 88  ? -32.779 25.971 17.659  1.00 74.10 ? 87  ALA A CA  1 
ATOM   596  C C   . ALA A 1 88  ? -32.747 26.669 16.294  1.00 75.54 ? 87  ALA A C   1 
ATOM   597  O O   . ALA A 1 88  ? -31.859 27.481 16.024  1.00 75.62 ? 87  ALA A O   1 
ATOM   598  C CB  . ALA A 1 88  ? -33.399 26.889 18.705  1.00 64.23 ? 87  ALA A CB  1 
ATOM   599  N N   . GLY A 1 89  ? -33.706 26.327 15.436  1.00 66.16 ? 88  GLY A N   1 
ATOM   600  C CA  . GLY A 1 89  ? -33.890 27.001 14.148  1.00 55.67 ? 88  GLY A CA  1 
ATOM   601  C C   . GLY A 1 89  ? -32.780 26.849 13.116  1.00 50.45 ? 88  GLY A C   1 
ATOM   602  O O   . GLY A 1 89  ? -32.613 27.715 12.258  1.00 45.78 ? 88  GLY A O   1 
ATOM   603  N N   . ALA A 1 90  ? -32.022 25.759 13.187  1.00 50.08 ? 89  ALA A N   1 
ATOM   604  C CA  . ALA A 1 90  ? -31.018 25.460 12.164  1.00 34.08 ? 89  ALA A CA  1 
ATOM   605  C C   . ALA A 1 90  ? -30.885 23.955 11.970  1.00 33.95 ? 89  ALA A C   1 
ATOM   606  O O   . ALA A 1 90  ? -31.096 23.181 12.899  1.00 40.58 ? 89  ALA A O   1 
ATOM   607  C CB  . ALA A 1 90  ? -29.671 26.065 12.536  1.00 40.88 ? 89  ALA A CB  1 
ATOM   608  N N   . THR A 1 91  ? -30.565 23.554 10.748  1.00 24.36 ? 90  THR A N   1 
ATOM   609  C CA  . THR A 1 91  ? -30.236 22.175 10.437  1.00 20.88 ? 90  THR A CA  1 
ATOM   610  C C   . THR A 1 91  ? -28.754 22.142 10.090  1.00 18.86 ? 90  THR A C   1 
ATOM   611  O O   . THR A 1 91  ? -28.266 23.024 9.390   1.00 17.63 ? 90  THR A O   1 
ATOM   612  C CB  . THR A 1 91  ? -31.047 21.647 9.233   1.00 25.18 ? 90  THR A CB  1 
ATOM   613  O OG1 . THR A 1 91  ? -32.449 21.736 9.507   1.00 32.85 ? 90  THR A OG1 1 
ATOM   614  C CG2 . THR A 1 91  ? -30.681 20.190 8.923   1.00 25.69 ? 90  THR A CG2 1 
ATOM   615  N N   . LYS A 1 92  ? -28.042 21.139 10.583  1.00 17.30 ? 91  LYS A N   1 
ATOM   616  C CA  . LYS A 1 92  ? -26.630 20.978 10.287  1.00 16.42 ? 91  LYS A CA  1 
ATOM   617  C C   . LYS A 1 92  ? -26.347 19.542 9.848   1.00 16.59 ? 91  LYS A C   1 
ATOM   618  O O   . LYS A 1 92  ? -26.998 18.599 10.293  1.00 18.54 ? 91  LYS A O   1 
ATOM   619  C CB  . LYS A 1 92  ? -25.769 21.327 11.501  1.00 18.06 ? 91  LYS A CB  1 
ATOM   620  C CG  . LYS A 1 92  ? -25.952 22.751 12.002  1.00 21.41 ? 91  LYS A CG  1 
ATOM   621  C CD  . LYS A 1 92  ? -25.071 23.029 13.208  1.00 27.33 ? 91  LYS A CD  1 
ATOM   622  C CE  . LYS A 1 92  ? -25.593 24.185 14.047  1.00 30.67 ? 91  LYS A CE  1 
ATOM   623  N NZ  . LYS A 1 92  ? -25.687 25.447 13.260  1.00 38.53 ? 91  LYS A NZ  1 
ATOM   624  N N   . ALA A 1 93  ? -25.369 19.400 8.964   1.00 13.24 ? 92  ALA A N   1 
ATOM   625  C CA  . ALA A 1 93  ? -24.926 18.100 8.468   1.00 12.54 ? 92  ALA A CA  1 
ATOM   626  C C   . ALA A 1 93  ? -23.433 18.118 8.213   1.00 11.46 ? 92  ALA A C   1 
ATOM   627  O O   . ALA A 1 93  ? -22.826 19.178 8.077   1.00 12.55 ? 92  ALA A O   1 
ATOM   628  C CB  . ALA A 1 93  ? -25.688 17.727 7.208   1.00 13.18 ? 92  ALA A CB  1 
ATOM   629  N N   . VAL A 1 94  ? -22.848 16.927 8.165   1.00 11.69 ? 93  VAL A N   1 
ATOM   630  C CA  . VAL A 1 94  ? -21.423 16.764 7.985   1.00 10.83 ? 93  VAL A CA  1 
ATOM   631  C C   . VAL A 1 94  ? -21.139 15.562 7.093   1.00 9.55  ? 93  VAL A C   1 
ATOM   632  O O   . VAL A 1 94  ? -21.724 14.487 7.275   1.00 11.30 ? 93  VAL A O   1 
ATOM   633  C CB  . VAL A 1 94  ? -20.693 16.566 9.329   1.00 13.72 ? 93  VAL A CB  1 
ATOM   634  C CG1 . VAL A 1 94  ? -19.187 16.435 9.106   1.00 14.55 ? 93  VAL A CG1 1 
ATOM   635  C CG2 . VAL A 1 94  ? -20.983 17.717 10.269  1.00 17.15 ? 93  VAL A CG2 1 
ATOM   636  N N   . ALA A 1 95  ? -20.237 15.753 6.138   1.00 9.60  ? 94  ALA A N   1 
ATOM   637  C CA  . ALA A 1 95  ? -19.722 14.662 5.326   1.00 9.45  ? 94  ALA A CA  1 
ATOM   638  C C   . ALA A 1 95  ? -18.244 14.502 5.596   1.00 9.82  ? 94  ALA A C   1 
ATOM   639  O O   . ALA A 1 95  ? -17.475 15.451 5.474   1.00 10.75 ? 94  ALA A O   1 
ATOM   640  C CB  . ALA A 1 95  ? -19.940 14.941 3.852   1.00 10.65 ? 94  ALA A CB  1 
ATOM   641  N N   . VAL A 1 96  ? -17.862 13.285 5.946   1.00 10.29 ? 95  VAL A N   1 
ATOM   642  C CA  . VAL A 1 96  ? -16.464 12.927 6.118   1.00 10.46 ? 95  VAL A CA  1 
ATOM   643  C C   . VAL A 1 96  ? -16.015 12.264 4.825   1.00 11.19 ? 95  VAL A C   1 
ATOM   644  O O   . VAL A 1 96  ? -16.492 11.177 4.476   1.00 12.84 ? 95  VAL A O   1 
ATOM   645  C CB  . VAL A 1 96  ? -16.266 11.968 7.306   1.00 13.20 ? 95  VAL A CB  1 
ATOM   646  C CG1 . VAL A 1 96  ? -14.808 11.545 7.386   1.00 15.44 ? 95  VAL A CG1 1 
ATOM   647  C CG2 . VAL A 1 96  ? -16.693 12.635 8.598   1.00 14.70 ? 95  VAL A CG2 1 
ATOM   648  N N   . LEU A 1 97  ? -15.128 12.929 4.097   1.00 11.19 ? 96  LEU A N   1 
ATOM   649  C CA  . LEU A 1 97  ? -14.670 12.426 2.807   1.00 12.41 ? 96  LEU A CA  1 
ATOM   650  C C   . LEU A 1 97  ? -13.427 11.581 2.985   1.00 13.16 ? 96  LEU A C   1 
ATOM   651  O O   . LEU A 1 97  ? -12.497 11.962 3.705   1.00 14.29 ? 96  LEU A O   1 
ATOM   652  C CB  . LEU A 1 97  ? -14.357 13.575 1.842   1.00 13.30 ? 96  LEU A CB  1 
ATOM   653  C CG  . LEU A 1 97  ? -15.482 14.544 1.490   1.00 15.80 ? 96  LEU A CG  1 
ATOM   654  C CD1 . LEU A 1 97  ? -14.944 15.760 0.745   1.00 16.87 ? 96  LEU A CD1 1 
ATOM   655  C CD2 . LEU A 1 97  ? -16.537 13.845 0.663   1.00 20.59 ? 96  LEU A CD2 1 
ATOM   656  N N   . LYS A 1 98  ? -13.421 10.430 2.325   1.00 14.22 ? 97  LYS A N   1 
ATOM   657  C CA  . LYS A 1 98  ? -12.264 9.551  2.307   1.00 16.29 ? 97  LYS A CA  1 
ATOM   658  C C   . LYS A 1 98  ? -12.014 9.117  0.874   1.00 17.19 ? 97  LYS A C   1 
ATOM   659  O O   . LYS A 1 98  ? -12.941 8.727  0.153   1.00 14.84 ? 97  LYS A O   1 
ATOM   660  C CB  . LYS A 1 98  ? -12.501 8.334  3.208   1.00 18.01 ? 97  LYS A CB  1 
ATOM   661  C CG  . LYS A 1 98  ? -11.322 7.377  3.331   1.00 23.34 ? 97  LYS A CG  1 
ATOM   662  C CD  . LYS A 1 98  ? -10.139 7.981  4.077   1.00 29.08 ? 97  LYS A CD  1 
ATOM   663  C CE  . LYS A 1 98  ? -9.081  6.931  4.409   1.00 37.50 ? 97  LYS A CE  1 
ATOM   664  N NZ  . LYS A 1 98  ? -8.565  6.222  3.203   1.00 42.77 ? 97  LYS A NZ  1 
ATOM   665  N N   . GLY A 1 99  ? -10.753 9.209  0.467   1.00 18.08 ? 98  GLY A N   1 
ATOM   666  C CA  . GLY A 1 99  ? -10.320 8.736  -0.836  1.00 19.93 ? 98  GLY A CA  1 
ATOM   667  C C   . GLY A 1 99  ? -9.016  7.975  -0.725  1.00 21.91 ? 98  GLY A C   1 
ATOM   668  O O   . GLY A 1 99  ? -8.671  7.465  0.344   1.00 24.83 ? 98  GLY A O   1 
ATOM   669  N N   . ASP A 1 100 ? -8.287  7.929  -1.832  1.00 22.68 ? 99  ASP A N   1 
ATOM   670  C CA  . ASP A 1 100 ? -7.041  7.165  -1.922  1.00 24.62 ? 99  ASP A CA  1 
ATOM   671  C C   . ASP A 1 100 ? -5.869  7.913  -1.308  1.00 24.43 ? 99  ASP A C   1 
ATOM   672  O O   . ASP A 1 100 ? -5.838  9.150  -1.292  1.00 28.10 ? 99  ASP A O   1 
ATOM   673  C CB  . ASP A 1 100 ? -6.728  6.857  -3.379  1.00 29.77 ? 99  ASP A CB  1 
ATOM   674  C CG  . ASP A 1 100 ? -7.853  6.122  -4.065  1.00 30.85 ? 99  ASP A CG  1 
ATOM   675  O OD1 . ASP A 1 100 ? -8.133  4.970  -3.664  1.00 36.27 ? 99  ASP A OD1 1 
ATOM   676  O OD2 . ASP A 1 100 ? -8.457  6.700  -4.998  1.00 31.47 ? 99  ASP A OD2 1 
ATOM   677  N N   . GLY A 1 101 ? -4.896  7.149  -0.820  1.00 29.17 ? 100 GLY A N   1 
ATOM   678  C CA  . GLY A 1 101 ? -3.703  7.716  -0.200  1.00 31.15 ? 100 GLY A CA  1 
ATOM   679  C C   . GLY A 1 101 ? -4.087  8.748  0.848   1.00 27.86 ? 100 GLY A C   1 
ATOM   680  O O   . GLY A 1 101 ? -4.862  8.436  1.756   1.00 30.04 ? 100 GLY A O   1 
ATOM   681  N N   . PRO A 1 102 ? -3.589  9.995  0.708   1.00 27.71 ? 101 PRO A N   1 
ATOM   682  C CA  . PRO A 1 102 ? -3.812  10.999 1.738   1.00 22.77 ? 101 PRO A CA  1 
ATOM   683  C C   . PRO A 1 102 ? -5.129  11.782 1.605   1.00 22.56 ? 101 PRO A C   1 
ATOM   684  O O   . PRO A 1 102 ? -5.376  12.665 2.437   1.00 21.67 ? 101 PRO A O   1 
ATOM   685  C CB  . PRO A 1 102 ? -2.614  11.940 1.557   1.00 27.16 ? 101 PRO A CB  1 
ATOM   686  C CG  . PRO A 1 102 ? -2.314  11.875 0.092   1.00 30.16 ? 101 PRO A CG  1 
ATOM   687  C CD  . PRO A 1 102 ? -2.856  10.565 -0.439  1.00 26.31 ? 101 PRO A CD  1 
ATOM   688  N N   . VAL A 1 103 ? -5.976  11.473 0.614   1.00 21.08 ? 102 VAL A N   1 
ATOM   689  C CA  . VAL A 1 103 ? -7.173  12.310 0.382   1.00 19.09 ? 102 VAL A CA  1 
ATOM   690  C C   . VAL A 1 103 ? -8.227  12.096 1.463   1.00 16.22 ? 102 VAL A C   1 
ATOM   691  O O   . VAL A 1 103 ? -8.755  10.997 1.642   1.00 18.29 ? 102 VAL A O   1 
ATOM   692  C CB  . VAL A 1 103 ? -7.820  12.109 -1.003  1.00 22.32 ? 102 VAL A CB  1 
ATOM   693  C CG1 . VAL A 1 103 ? -9.039  13.013 -1.158  1.00 19.74 ? 102 VAL A CG1 1 
ATOM   694  C CG2 . VAL A 1 103 ? -6.827  12.423 -2.110  1.00 23.94 ? 102 VAL A CG2 1 
ATOM   695  N N   . GLN A 1 104 ? -8.513  13.163 2.191   1.00 16.47 ? 103 GLN A N   1 
ATOM   696  C CA  . GLN A 1 104 ? -9.534  13.135 3.222   1.00 16.37 ? 103 GLN A CA  1 
ATOM   697  C C   . GLN A 1 104 ? -9.982  14.541 3.512   1.00 14.08 ? 103 GLN A C   1 
ATOM   698  O O   . GLN A 1 104 ? -9.230  15.499 3.307   1.00 14.83 ? 103 GLN A O   1 
ATOM   699  C CB  . GLN A 1 104 ? -9.006  12.488 4.500   1.00 20.26 ? 103 GLN A CB  1 
ATOM   700  C CG  . GLN A 1 104 ? -7.750  13.140 5.081   1.00 20.61 ? 103 GLN A CG  1 
ATOM   701  C CD  . GLN A 1 104 ? -7.960  14.317 6.040   0.30 21.85 ? 103 GLN A CD  1 
ATOM   702  O OE1 . GLN A 1 104 ? -7.005  15.046 6.318   0.48 26.48 ? 103 GLN A OE1 1 
ATOM   703  N NE2 . GLN A 1 104 ? -9.176  14.502 6.561   0.77 23.26 ? 103 GLN A NE2 1 
ATOM   704  N N   . GLY A 1 105 ? -11.203 14.675 3.996   1.00 13.08 ? 104 GLY A N   1 
ATOM   705  C CA  . GLY A 1 105 ? -11.677 15.971 4.443   1.00 13.40 ? 104 GLY A CA  1 
ATOM   706  C C   . GLY A 1 105 ? -12.963 15.907 5.229   1.00 11.43 ? 104 GLY A C   1 
ATOM   707  O O   . GLY A 1 105 ? -13.536 14.823 5.439   1.00 12.37 ? 104 GLY A O   1 
ATOM   708  N N   . ILE A 1 106 ? -13.375 17.072 5.712   1.00 11.30 ? 105 ILE A N   1 
ATOM   709  C CA  . ILE A 1 106 ? -14.615 17.212 6.461   1.00 11.19 ? 105 ILE A CA  1 
ATOM   710  C C   . ILE A 1 106 ? -15.320 18.426 5.883   1.00 9.96  ? 105 ILE A C   1 
ATOM   711  O O   . ILE A 1 106 ? -14.737 19.515 5.846   1.00 11.83 ? 105 ILE A O   1 
ATOM   712  C CB  . ILE A 1 106 ? -14.360 17.392 7.976   1.00 14.58 ? 105 ILE A CB  1 
ATOM   713  C CG1 . ILE A 1 106 ? -13.708 16.127 8.549   1.00 18.59 ? 105 ILE A CG1 1 
ATOM   714  C CG2 . ILE A 1 106 ? -15.664 17.674 8.705   1.00 15.80 ? 105 ILE A CG2 1 
ATOM   715  C CD1 . ILE A 1 106 ? -13.377 16.196 10.024  1.00 26.06 ? 105 ILE A CD1 1 
ATOM   716  N N   . ILE A 1 107 ? -16.564 18.232 5.437   1.00 9.41  ? 106 ILE A N   1 
ATOM   717  C CA  . ILE A 1 107 ? -17.383 19.307 4.879   1.00 8.92  ? 106 ILE A CA  1 
ATOM   718  C C   . ILE A 1 107 ? -18.661 19.421 5.697   1.00 9.26  ? 106 ILE A C   1 
ATOM   719  O O   . ILE A 1 107 ? -19.378 18.435 5.895   1.00 9.92  ? 106 ILE A O   1 
ATOM   720  C CB  . ILE A 1 107 ? -17.739 19.069 3.397   1.00 9.72  ? 106 ILE A CB  1 
ATOM   721  C CG1 . ILE A 1 107 ? -16.462 19.002 2.540   1.00 10.89 ? 106 ILE A CG1 1 
ATOM   722  C CG2 . ILE A 1 107 ? -18.694 20.141 2.893   1.00 10.46 ? 106 ILE A CG2 1 
ATOM   723  C CD1 . ILE A 1 107 ? -15.658 20.285 2.490   1.00 13.31 ? 106 ILE A CD1 1 
ATOM   724  N N   . ASN A 1 108 ? -18.911 20.638 6.169   1.00 8.87  ? 107 ASN A N   1 
ATOM   725  C CA  . ASN A 1 108 ? -20.076 20.967 6.982   1.00 9.56  ? 107 ASN A CA  1 
ATOM   726  C C   . ASN A 1 108 ? -21.139 21.659 6.139   1.00 9.45  ? 107 ASN A C   1 
ATOM   727  O O   . ASN A 1 108 ? -20.812 22.417 5.216   1.00 9.57  ? 107 ASN A O   1 
ATOM   728  C CB  . ASN A 1 108 ? -19.652 21.882 8.131   1.00 10.29 ? 107 ASN A CB  1 
ATOM   729  C CG  . ASN A 1 108 ? -18.600 21.244 9.002   1.00 11.04 ? 107 ASN A CG  1 
ATOM   730  O OD1 . ASN A 1 108 ? -18.817 20.155 9.523   1.00 13.00 ? 107 ASN A OD1 1 
ATOM   731  N ND2 . ASN A 1 108 ? -17.445 21.878 9.118   1.00 12.37 ? 107 ASN A ND2 1 
ATOM   732  N N   . PHE A 1 109 ? -22.401 21.412 6.479   1.00 9.93  ? 108 PHE A N   1 
ATOM   733  C CA  . PHE A 1 109 ? -23.543 22.019 5.813   1.00 10.43 ? 108 PHE A CA  1 
ATOM   734  C C   . PHE A 1 109 ? -24.453 22.596 6.890   1.00 11.68 ? 108 PHE A C   1 
ATOM   735  O O   . PHE A 1 109 ? -24.737 21.931 7.887   1.00 13.62 ? 108 PHE A O   1 
ATOM   736  C CB  . PHE A 1 109 ? -24.348 20.965 5.043   1.00 11.86 ? 108 PHE A CB  1 
ATOM   737  C CG  . PHE A 1 109 ? -23.596 20.278 3.943   1.00 11.34 ? 108 PHE A CG  1 
ATOM   738  C CD1 . PHE A 1 109 ? -22.755 19.218 4.220   1.00 10.27 ? 108 PHE A CD1 1 
ATOM   739  C CD2 . PHE A 1 109 ? -23.733 20.697 2.626   1.00 12.49 ? 108 PHE A CD2 1 
ATOM   740  C CE1 . PHE A 1 109 ? -22.065 18.591 3.198   1.00 11.66 ? 108 PHE A CE1 1 
ATOM   741  C CE2 . PHE A 1 109 ? -23.062 20.060 1.608   1.00 11.64 ? 108 PHE A CE2 1 
ATOM   742  C CZ  . PHE A 1 109 ? -22.215 19.015 1.897   1.00 11.04 ? 108 PHE A CZ  1 
ATOM   743  N N   . GLU A 1 110 ? -24.930 23.817 6.682   1.00 12.50 ? 109 GLU A N   1 
ATOM   744  C CA  . GLU A 1 110 ? -25.825 24.460 7.629   1.00 12.67 ? 109 GLU A CA  1 
ATOM   745  C C   . GLU A 1 110 ? -26.884 25.271 6.928   1.00 13.39 ? 109 GLU A C   1 
ATOM   746  O O   . GLU A 1 110 ? -26.613 25.929 5.930   1.00 15.25 ? 109 GLU A O   1 
ATOM   747  C CB  . GLU A 1 110 ? -25.049 25.376 8.554   1.00 15.32 ? 109 GLU A CB  1 
ATOM   748  C CG  . GLU A 1 110 ? -23.967 24.654 9.309   1.00 19.24 ? 109 GLU A CG  1 
ATOM   749  C CD  . GLU A 1 110 ? -23.187 25.565 10.203  1.00 22.07 ? 109 GLU A CD  1 
ATOM   750  O OE1 . GLU A 1 110 ? -23.802 26.432 10.871  1.00 27.24 ? 109 GLU A OE1 1 
ATOM   751  O OE2 . GLU A 1 110 ? -21.952 25.404 10.209  1.00 25.38 ? 109 GLU A OE2 1 
ATOM   752  N N   . GLN A 1 111 ? -28.094 25.219 7.469   1.00 14.96 ? 110 GLN A N   1 
ATOM   753  C CA  . GLN A 1 111 ? -29.231 25.920 6.875   1.00 15.98 ? 110 GLN A CA  1 
ATOM   754  C C   . GLN A 1 111 ? -30.184 26.371 7.959   1.00 20.54 ? 110 GLN A C   1 
ATOM   755  O O   . GLN A 1 111 ? -30.580 25.576 8.810   1.00 21.05 ? 110 GLN A O   1 
ATOM   756  C CB  . GLN A 1 111 ? -29.958 24.984 5.905   1.00 15.82 ? 110 GLN A CB  1 
ATOM   757  C CG  . GLN A 1 111 ? -31.089 25.618 5.118   1.00 18.40 ? 110 GLN A CG  1 
ATOM   758  C CD  . GLN A 1 111 ? -31.794 24.615 4.231   1.00 18.64 ? 110 GLN A CD  1 
ATOM   759  O OE1 . GLN A 1 111 ? -31.888 23.438 4.566   1.00 18.99 ? 110 GLN A OE1 1 
ATOM   760  N NE2 . GLN A 1 111 ? -32.294 25.076 3.091   1.00 20.55 ? 110 GLN A NE2 1 
ATOM   761  N N   . LYS A 1 112 ? -30.554 27.648 7.927   1.00 23.18 ? 111 LYS A N   1 
ATOM   762  C CA  . LYS A 1 112 ? -31.524 28.182 8.891   1.00 28.73 ? 111 LYS A CA  1 
ATOM   763  C C   . LYS A 1 112 ? -32.890 27.557 8.613   1.00 33.25 ? 111 LYS A C   1 
ATOM   764  O O   . LYS A 1 112 ? -33.259 27.354 7.458   1.00 35.06 ? 111 LYS A O   1 
ATOM   765  C CB  . LYS A 1 112 ? -31.601 29.704 8.822   1.00 35.82 ? 111 LYS A CB  1 
ATOM   766  C CG  . LYS A 1 112 ? -32.660 30.297 9.752   1.00 44.32 ? 111 LYS A CG  1 
ATOM   767  C CD  . LYS A 1 112 ? -32.234 31.626 10.357  1.00 64.82 ? 111 LYS A CD  1 
ATOM   768  C CE  . LYS A 1 112 ? -31.282 31.427 11.528  1.00 72.31 ? 111 LYS A CE  1 
ATOM   769  N NZ  . LYS A 1 112 ? -30.747 32.721 12.036  1.00 74.79 ? 111 LYS A NZ  1 
ATOM   770  N N   . GLU A 1 113 ? -33.629 27.252 9.677   1.00 38.70 ? 112 GLU A N   1 
ATOM   771  C CA  . GLU A 1 113 ? -34.863 26.488 9.562   1.00 46.83 ? 112 GLU A CA  1 
ATOM   772  C C   . GLU A 1 113 ? -36.059 27.417 9.382   1.00 55.76 ? 112 GLU A C   1 
ATOM   773  O O   . GLU A 1 113 ? -36.233 28.373 10.138  1.00 63.61 ? 112 GLU A O   1 
ATOM   774  C CB  . GLU A 1 113 ? -35.046 25.614 10.805  1.00 58.36 ? 112 GLU A CB  1 
ATOM   775  C CG  . GLU A 1 113 ? -35.835 24.339 10.559  1.00 73.59 ? 112 GLU A CG  1 
ATOM   776  C CD  . GLU A 1 113 ? -35.732 23.354 11.712  1.00 83.52 ? 112 GLU A CD  1 
ATOM   777  O OE1 . GLU A 1 113 ? -35.973 22.151 11.482  1.00 90.31 ? 112 GLU A OE1 1 
ATOM   778  O OE2 . GLU A 1 113 ? -35.406 23.777 12.844  1.00 89.45 ? 112 GLU A OE2 1 
ATOM   779  N N   . MET B 1 1   ? -19.195 41.734 20.784  1.00 23.01 ? 0   MET B N   1 
ATOM   780  C CA  . MET B 1 1   ? -19.307 41.036 19.466  1.00 22.25 ? 0   MET B CA  1 
ATOM   781  C C   . MET B 1 1   ? -20.485 40.065 19.501  1.00 19.60 ? 0   MET B C   1 
ATOM   782  O O   . MET B 1 1   ? -21.099 39.869 20.552  1.00 19.72 ? 0   MET B O   1 
ATOM   783  C CB  . MET B 1 1   ? -18.015 40.289 19.132  1.00 24.57 ? 0   MET B CB  1 
ATOM   784  C CG  . MET B 1 1   ? -16.733 41.027 19.502  1.00 30.75 ? 0   MET B CG  1 
ATOM   785  S SD  . MET B 1 1   ? -15.425 40.677 18.327  1.00 39.09 ? 0   MET B SD  1 
ATOM   786  C CE  . MET B 1 1   ? -15.846 41.971 17.167  1.00 45.17 ? 0   MET B CE  1 
ATOM   787  N N   . ALA B 1 2   ? -20.799 39.459 18.357  1.00 18.32 ? 1   ALA B N   1 
ATOM   788  C CA  . ALA B 1 2   ? -21.937 38.546 18.262  1.00 17.19 ? 1   ALA B CA  1 
ATOM   789  C C   . ALA B 1 2   ? -21.657 37.276 19.066  1.00 15.85 ? 1   ALA B C   1 
ATOM   790  O O   . ALA B 1 2   ? -20.501 36.957 19.323  1.00 15.76 ? 1   ALA B O   1 
ATOM   791  C CB  . ALA B 1 2   ? -22.226 38.207 16.808  1.00 18.10 ? 1   ALA B CB  1 
ATOM   792  N N   . PRO B 1 3   ? -22.713 36.558 19.484  1.00 15.70 ? 2   PRO B N   1 
ATOM   793  C CA  . PRO B 1 3   ? -22.470 35.270 20.147  1.00 14.66 ? 2   PRO B CA  1 
ATOM   794  C C   . PRO B 1 3   ? -21.769 34.268 19.226  1.00 15.48 ? 2   PRO B C   1 
ATOM   795  O O   . PRO B 1 3   ? -21.786 34.430 18.010  1.00 16.10 ? 2   PRO B O   1 
ATOM   796  C CB  . PRO B 1 3   ? -23.883 34.765 20.500  1.00 17.43 ? 2   PRO B CB  1 
ATOM   797  C CG  . PRO B 1 3   ? -24.800 35.926 20.303  1.00 21.01 ? 2   PRO B CG  1 
ATOM   798  C CD  . PRO B 1 3   ? -24.152 36.817 19.286  1.00 18.77 ? 2   PRO B CD  1 
ATOM   799  N N   . VAL B 1 4   ? -21.145 33.260 19.826  1.00 13.58 ? 3   VAL B N   1 
ATOM   800  C CA  . VAL B 1 4   ? -20.466 32.206 19.093  1.00 13.07 ? 3   VAL B CA  1 
ATOM   801  C C   . VAL B 1 4   ? -21.254 30.911 19.256  1.00 13.68 ? 3   VAL B C   1 
ATOM   802  O O   . VAL B 1 4   ? -21.620 30.529 20.373  1.00 15.01 ? 3   VAL B O   1 
ATOM   803  C CB  . VAL B 1 4   ? -19.036 32.003 19.610  1.00 11.52 ? 3   VAL B CB  1 
ATOM   804  C CG1 . VAL B 1 4   ? -18.329 30.897 18.842  1.00 12.29 ? 3   VAL B CG1 1 
ATOM   805  C CG2 . VAL B 1 4   ? -18.251 33.309 19.510  1.00 13.47 ? 3   VAL B CG2 1 
ATOM   806  N N   . LYS B 1 5   ? -21.527 30.251 18.135  1.00 12.67 ? 4   LYS B N   1 
ATOM   807  C CA  . LYS B 1 5   ? -22.135 28.934 18.143  1.00 15.06 ? 4   LYS B CA  1 
ATOM   808  C C   . LYS B 1 5   ? -21.028 27.892 18.187  1.00 11.90 ? 4   LYS B C   1 
ATOM   809  O O   . LYS B 1 5   ? -20.036 28.003 17.465  1.00 13.11 ? 4   LYS B O   1 
ATOM   810  C CB  . LYS B 1 5   ? -22.982 28.755 16.886  1.00 17.75 ? 4   LYS B CB  1 
ATOM   811  C CG  . LYS B 1 5   ? -24.201 29.671 16.871  1.00 27.37 ? 4   LYS B CG  1 
ATOM   812  C CD  . LYS B 1 5   ? -25.146 29.334 15.732  1.00 37.97 ? 4   LYS B CD  1 
ATOM   813  C CE  . LYS B 1 5   ? -26.470 30.067 15.887  1.00 47.24 ? 4   LYS B CE  1 
ATOM   814  N NZ  . LYS B 1 5   ? -26.304 31.551 15.867  1.00 46.25 ? 4   LYS B NZ  1 
ATOM   815  N N   . VAL B 1 6   ? -21.197 26.900 19.050  1.00 12.84 ? 5   VAL B N   1 
ATOM   816  C CA  . VAL B 1 6   ? -20.213 25.858 19.266  1.00 13.76 ? 5   VAL B CA  1 
ATOM   817  C C   . VAL B 1 6   ? -20.917 24.525 19.083  1.00 13.22 ? 5   VAL B C   1 
ATOM   818  O O   . VAL B 1 6   ? -21.904 24.245 19.769  1.00 14.28 ? 5   VAL B O   1 
ATOM   819  C CB  . VAL B 1 6   ? -19.598 25.930 20.676  1.00 13.09 ? 5   VAL B CB  1 
ATOM   820  C CG1 . VAL B 1 6   ? -18.453 24.925 20.803  1.00 13.87 ? 5   VAL B CG1 1 
ATOM   821  C CG2 . VAL B 1 6   ? -19.103 27.344 20.975  1.00 14.00 ? 5   VAL B CG2 1 
ATOM   822  N N   . TRP B 1 7   ? -20.429 23.702 18.161  1.00 12.17 ? 6   TRP B N   1 
ATOM   823  C CA  . TRP B 1 7   ? -21.095 22.446 17.877  1.00 12.36 ? 6   TRP B CA  1 
ATOM   824  C C   . TRP B 1 7   ? -20.162 21.397 17.305  1.00 11.55 ? 6   TRP B C   1 
ATOM   825  O O   . TRP B 1 7   ? -19.161 21.708 16.668  1.00 12.56 ? 6   TRP B O   1 
ATOM   826  C CB  . TRP B 1 7   ? -22.287 22.660 16.927  1.00 13.81 ? 6   TRP B CB  1 
ATOM   827  C CG  . TRP B 1 7   ? -21.920 23.082 15.524  1.00 13.98 ? 6   TRP B CG  1 
ATOM   828  C CD1 . TRP B 1 7   ? -21.664 24.354 15.084  1.00 15.91 ? 6   TRP B CD1 1 
ATOM   829  C CD2 . TRP B 1 7   ? -21.775 22.230 14.386  1.00 14.12 ? 6   TRP B CD2 1 
ATOM   830  N NE1 . TRP B 1 7   ? -21.383 24.342 13.736  1.00 18.36 ? 6   TRP B NE1 1 
ATOM   831  C CE2 . TRP B 1 7   ? -21.433 23.050 13.286  1.00 15.84 ? 6   TRP B CE2 1 
ATOM   832  C CE3 . TRP B 1 7   ? -21.899 20.856 14.188  1.00 15.62 ? 6   TRP B CE3 1 
ATOM   833  C CZ2 . TRP B 1 7   ? -21.228 22.533 12.002  1.00 17.81 ? 6   TRP B CZ2 1 
ATOM   834  C CZ3 . TRP B 1 7   ? -21.684 20.339 12.912  1.00 16.28 ? 6   TRP B CZ3 1 
ATOM   835  C CH2 . TRP B 1 7   ? -21.346 21.171 11.840  1.00 18.05 ? 6   TRP B CH2 1 
ATOM   836  N N   . GLY B 1 8   ? -20.530 20.141 17.513  1.00 12.27 ? 7   GLY B N   1 
ATOM   837  C CA  . GLY B 1 8   ? -19.765 19.024 17.011  1.00 12.59 ? 7   GLY B CA  1 
ATOM   838  C C   . GLY B 1 8   ? -20.022 17.802 17.840  1.00 12.53 ? 7   GLY B C   1 
ATOM   839  O O   . GLY B 1 8   ? -21.083 17.661 18.461  1.00 15.63 ? 7   GLY B O   1 
ATOM   840  N N   . SER B 1 9   ? -19.050 16.908 17.869  1.00 14.63 ? 8   SER B N   1 
ATOM   841  C CA  . SER B 1 9   ? -19.207 15.681 18.626  1.00 16.04 ? 8   SER B CA  1 
ATOM   842  C C   . SER B 1 9   ? -17.860 15.169 19.106  1.00 16.93 ? 8   SER B C   1 
ATOM   843  O O   . SER B 1 9   ? -16.819 15.452 18.514  1.00 17.76 ? 8   SER B O   1 
ATOM   844  C CB  . SER B 1 9   ? -19.946 14.632 17.791  1.00 20.62 ? 8   SER B CB  1 
ATOM   845  O OG  . SER B 1 9   ? -19.158 14.196 16.705  1.00 22.33 ? 8   SER B OG  1 
ATOM   846  N N   . ILE B 1 10  ? -17.903 14.439 20.209  1.00 17.71 ? 9   ILE B N   1 
ATOM   847  C CA  . ILE B 1 10  ? -16.724 13.831 20.798  1.00 16.27 ? 9   ILE B CA  1 
ATOM   848  C C   . ILE B 1 10  ? -17.074 12.377 21.061  1.00 16.98 ? 9   ILE B C   1 
ATOM   849  O O   . ILE B 1 10  ? -18.155 12.091 21.571  1.00 19.69 ? 9   ILE B O   1 
ATOM   850  C CB  . ILE B 1 10  ? -16.342 14.509 22.122  1.00 16.80 ? 9   ILE B CB  1 
ATOM   851  C CG1 . ILE B 1 10  ? -16.189 16.025 21.940  1.00 17.63 ? 9   ILE B CG1 1 
ATOM   852  C CG2 . ILE B 1 10  ? -15.047 13.929 22.663  1.00 18.99 ? 9   ILE B CG2 1 
ATOM   853  C CD1 . ILE B 1 10  ? -16.135 16.777 23.249  1.00 19.48 ? 9   ILE B CD1 1 
ATOM   854  N N   . LYS B 1 11  ? -16.174 11.466 20.708  1.00 18.56 ? 10  LYS B N   1 
ATOM   855  C CA  . LYS B 1 11  ? -16.410 10.053 20.925  1.00 19.36 ? 10  LYS B CA  1 
ATOM   856  C C   . LYS B 1 11  ? -15.322 9.438  21.793  1.00 20.73 ? 10  LYS B C   1 
ATOM   857  O O   . LYS B 1 11  ? -14.298 10.061 22.054  1.00 19.77 ? 10  LYS B O   1 
ATOM   858  C CB  . LYS B 1 11  ? -16.550 9.311  19.591  1.00 26.07 ? 10  LYS B CB  1 
ATOM   859  C CG  . LYS B 1 11  ? -15.288 9.167  18.757  1.00 29.17 ? 10  LYS B CG  1 
ATOM   860  C CD  . LYS B 1 11  ? -15.590 8.309  17.528  1.00 33.73 ? 10  LYS B CD  1 
ATOM   861  C CE  . LYS B 1 11  ? -14.355 7.975  16.708  1.00 42.79 ? 10  LYS B CE  1 
ATOM   862  N NZ  . LYS B 1 11  ? -14.708 7.427  15.364  1.00 48.37 ? 10  LYS B NZ  1 
ATOM   863  N N   . GLY B 1 12  ? -15.570 8.216  22.253  1.00 22.00 ? 11  GLY B N   1 
ATOM   864  C CA  . GLY B 1 12  ? -14.616 7.482  23.072  1.00 21.96 ? 11  GLY B CA  1 
ATOM   865  C C   . GLY B 1 12  ? -14.674 7.857  24.539  1.00 20.79 ? 11  GLY B C   1 
ATOM   866  O O   . GLY B 1 12  ? -13.816 7.447  25.325  1.00 24.88 ? 11  GLY B O   1 
ATOM   867  N N   . LEU B 1 13  ? -15.698 8.615  24.918  1.00 21.23 ? 12  LEU B N   1 
ATOM   868  C CA  . LEU B 1 13  ? -15.853 9.063  26.293  1.00 18.78 ? 12  LEU B CA  1 
ATOM   869  C C   . LEU B 1 13  ? -16.555 8.027  27.167  1.00 21.00 ? 12  LEU B C   1 
ATOM   870  O O   . LEU B 1 13  ? -17.319 7.202  26.675  1.00 24.07 ? 12  LEU B O   1 
ATOM   871  C CB  . LEU B 1 13  ? -16.652 10.364 26.337  1.00 18.93 ? 12  LEU B CB  1 
ATOM   872  C CG  . LEU B 1 13  ? -15.955 11.590 25.757  1.00 18.62 ? 12  LEU B CG  1 
ATOM   873  C CD1 . LEU B 1 13  ? -16.962 12.711 25.555  1.00 20.70 ? 12  LEU B CD1 1 
ATOM   874  C CD2 . LEU B 1 13  ? -14.799 12.030 26.650  1.00 20.11 ? 12  LEU B CD2 1 
ATOM   875  N N   . THR B 1 14  ? -16.293 8.085  28.471  1.00 23.28 ? 13  THR B N   1 
ATOM   876  C CA  . THR B 1 14  ? -17.089 7.328  29.432  1.00 20.68 ? 13  THR B CA  1 
ATOM   877  C C   . THR B 1 14  ? -18.451 7.989  29.544  1.00 22.09 ? 13  THR B C   1 
ATOM   878  O O   . THR B 1 14  ? -18.570 9.213  29.426  1.00 21.42 ? 13  THR B O   1 
ATOM   879  C CB  . THR B 1 14  ? -16.438 7.275  30.822  1.00 24.93 ? 13  THR B CB  1 
ATOM   880  O OG1 . THR B 1 14  ? -16.145 8.606  31.262  1.00 26.54 ? 13  THR B OG1 1 
ATOM   881  C CG2 . THR B 1 14  ? -15.158 6.465  30.776  1.00 27.61 ? 13  THR B CG2 1 
ATOM   882  N N   . GLU B 1 15  ? -19.480 7.176  29.759  1.00 24.05 ? 14  GLU B N   1 
ATOM   883  C CA  . GLU B 1 15  ? -20.835 7.684  29.875  1.00 24.17 ? 14  GLU B CA  1 
ATOM   884  C C   . GLU B 1 15  ? -20.933 8.706  31.006  1.00 23.78 ? 14  GLU B C   1 
ATOM   885  O O   . GLU B 1 15  ? -20.390 8.489  32.096  1.00 26.02 ? 14  GLU B O   1 
ATOM   886  C CB  . GLU B 1 15  ? -21.810 6.531  30.128  1.00 26.30 ? 14  GLU B CB  1 
ATOM   887  C CG  . GLU B 1 15  ? -23.266 6.959  30.171  1.00 25.99 ? 14  GLU B CG  1 
ATOM   888  C CD  . GLU B 1 15  ? -24.218 5.810  30.441  1.00 29.34 ? 14  GLU B CD  1 
ATOM   889  O OE1 . GLU B 1 15  ? -23.762 4.657  30.559  1.00 32.80 ? 14  GLU B OE1 1 
ATOM   890  O OE2 . GLU B 1 15  ? -25.433 6.072  30.533  1.00 36.51 ? 14  GLU B OE2 1 
ATOM   891  N N   . GLY B 1 16  ? -21.628 9.809  30.740  1.00 23.97 ? 15  GLY B N   1 
ATOM   892  C CA  . GLY B 1 16  ? -21.890 10.840 31.745  1.00 24.64 ? 15  GLY B CA  1 
ATOM   893  C C   . GLY B 1 16  ? -21.357 12.213 31.381  1.00 23.45 ? 15  GLY B C   1 
ATOM   894  O O   . GLY B 1 16  ? -21.100 12.499 30.211  1.00 20.79 ? 15  GLY B O   1 
ATOM   895  N N   . LEU B 1 17  ? -21.190 13.052 32.404  1.00 23.94 ? 16  LEU B N   1 
ATOM   896  C CA  . LEU B 1 17  ? -20.790 14.452 32.248  1.00 21.84 ? 16  LEU B CA  1 
ATOM   897  C C   . LEU B 1 17  ? -19.277 14.618 32.180  1.00 21.91 ? 16  LEU B C   1 
ATOM   898  O O   . LEU B 1 17  ? -18.545 13.987 32.941  1.00 23.52 ? 16  LEU B O   1 
ATOM   899  C CB  . LEU B 1 17  ? -21.306 15.281 33.428  1.00 22.79 ? 16  LEU B CB  1 
ATOM   900  C CG  . LEU B 1 17  ? -22.822 15.393 33.568  1.00 28.57 ? 16  LEU B CG  1 
ATOM   901  C CD1 . LEU B 1 17  ? -23.189 15.967 34.932  1.00 30.99 ? 16  LEU B CD1 1 
ATOM   902  C CD2 . LEU B 1 17  ? -23.399 16.241 32.444  1.00 32.81 ? 16  LEU B CD2 1 
ATOM   903  N N   . HIS B 1 18  ? -18.822 15.495 31.291  1.00 20.38 ? 17  HIS B N   1 
ATOM   904  C CA  . HIS B 1 18  ? -17.398 15.764 31.124  1.00 21.15 ? 17  HIS B CA  1 
ATOM   905  C C   . HIS B 1 18  ? -17.125 17.261 31.031  1.00 19.41 ? 17  HIS B C   1 
ATOM   906  O O   . HIS B 1 18  ? -17.764 17.968 30.249  1.00 19.18 ? 17  HIS B O   1 
ATOM   907  C CB  . HIS B 1 18  ? -16.876 15.060 29.872  1.00 20.51 ? 17  HIS B CB  1 
ATOM   908  C CG  . HIS B 1 18  ? -16.863 13.571 29.990  1.00 19.32 ? 17  HIS B CG  1 
ATOM   909  N ND1 . HIS B 1 18  ? -15.781 12.876 30.474  1.00 19.48 ? 17  HIS B ND1 1 
ATOM   910  C CD2 . HIS B 1 18  ? -17.811 12.647 29.710  1.00 20.30 ? 17  HIS B CD2 1 
ATOM   911  C CE1 . HIS B 1 18  ? -16.056 11.584 30.474  1.00 21.10 ? 17  HIS B CE1 1 
ATOM   912  N NE2 . HIS B 1 18  ? -17.284 11.420 30.018  1.00 21.23 ? 17  HIS B NE2 1 
ATOM   913  N N   . GLY B 1 19  ? -16.169 17.735 31.833  1.00 18.13 ? 18  GLY B N   1 
ATOM   914  C CA  . GLY B 1 19  ? -15.750 19.130 31.799  1.00 18.09 ? 18  GLY B CA  1 
ATOM   915  C C   . GLY B 1 19  ? -15.261 19.516 30.415  1.00 16.51 ? 18  GLY B C   1 
ATOM   916  O O   . GLY B 1 19  ? -14.632 18.710 29.725  1.00 16.73 ? 18  GLY B O   1 
ATOM   917  N N   . PHE B 1 20  ? -15.566 20.749 30.016  1.00 17.85 ? 19  PHE B N   1 
ATOM   918  C CA  . PHE B 1 20  ? -15.376 21.210 28.645  1.00 17.07 ? 19  PHE B CA  1 
ATOM   919  C C   . PHE B 1 20  ? -15.067 22.693 28.677  1.00 19.28 ? 19  PHE B C   1 
ATOM   920  O O   . PHE B 1 20  ? -15.928 23.493 29.040  1.00 22.43 ? 19  PHE B O   1 
ATOM   921  C CB  . PHE B 1 20  ? -16.670 20.948 27.863  1.00 18.48 ? 19  PHE B CB  1 
ATOM   922  C CG  . PHE B 1 20  ? -16.588 21.214 26.377  1.00 18.12 ? 19  PHE B CG  1 
ATOM   923  C CD1 . PHE B 1 20  ? -15.594 20.641 25.596  1.00 18.52 ? 19  PHE B CD1 1 
ATOM   924  C CD2 . PHE B 1 20  ? -17.564 21.983 25.750  1.00 19.69 ? 19  PHE B CD2 1 
ATOM   925  C CE1 . PHE B 1 20  ? -15.566 20.844 24.228  1.00 18.28 ? 19  PHE B CE1 1 
ATOM   926  C CE2 . PHE B 1 20  ? -17.539 22.189 24.382  1.00 17.33 ? 19  PHE B CE2 1 
ATOM   927  C CZ  . PHE B 1 20  ? -16.531 21.627 23.624  1.00 17.41 ? 19  PHE B CZ  1 
ATOM   928  N N   . HIS B 1 21  ? -13.842 23.064 28.309  1.00 18.13 ? 20  HIS B N   1 
ATOM   929  C CA  . HIS B 1 21  ? -13.495 24.465 28.305  1.00 21.20 ? 20  HIS B CA  1 
ATOM   930  C C   . HIS B 1 21  ? -12.228 24.861 27.568  1.00 17.70 ? 20  HIS B C   1 
ATOM   931  O O   . HIS B 1 21  ? -11.461 24.029 27.106  1.00 16.53 ? 20  HIS B O   1 
ATOM   932  C CB  . HIS B 1 21  ? -13.421 24.962 29.727  1.00 24.40 ? 20  HIS B CB  1 
ATOM   933  C CG  . HIS B 1 21  ? -12.740 24.030 30.650  1.00 27.46 ? 20  HIS B CG  1 
ATOM   934  N ND1 . HIS B 1 21  ? -13.424 23.294 31.592  1.00 31.75 ? 20  HIS B ND1 1 
ATOM   935  C CD2 . HIS B 1 21  ? -11.440 23.695 30.771  1.00 31.56 ? 20  HIS B CD2 1 
ATOM   936  C CE1 . HIS B 1 21  ? -12.567 22.555 32.270  1.00 35.99 ? 20  HIS B CE1 1 
ATOM   937  N NE2 . HIS B 1 21  ? -11.358 22.779 31.790  1.00 39.98 ? 20  HIS B NE2 1 
ATOM   938  N N   . VAL B 1 22  ? -12.069 26.177 27.461  1.00 17.01 ? 21  VAL B N   1 
ATOM   939  C CA  . VAL B 1 22  ? -10.968 26.794 26.759  1.00 16.33 ? 21  VAL B CA  1 
ATOM   940  C C   . VAL B 1 22  ? -9.894  27.207 27.754  1.00 17.79 ? 21  VAL B C   1 
ATOM   941  O O   . VAL B 1 22  ? -10.102 28.096 28.580  1.00 23.26 ? 21  VAL B O   1 
ATOM   942  C CB  . VAL B 1 22  ? -11.447 28.028 25.979  1.00 16.47 ? 21  VAL B CB  1 
ATOM   943  C CG1 . VAL B 1 22  ? -10.316 28.578 25.119  1.00 18.60 ? 21  VAL B CG1 1 
ATOM   944  C CG2 . VAL B 1 22  ? -12.653 27.674 25.124  1.00 18.63 ? 21  VAL B CG2 1 
ATOM   945  N N   . HIS B 1 23  ? -8.742  26.565 27.672  1.00 17.99 ? 22  HIS B N   1 
ATOM   946  C CA  . HIS B 1 23  ? -7.645  26.905 28.559  1.00 17.77 ? 22  HIS B CA  1 
ATOM   947  C C   . HIS B 1 23  ? -7.052  28.279 28.234  1.00 20.03 ? 22  HIS B C   1 
ATOM   948  O O   . HIS B 1 23  ? -6.881  28.632 27.068  1.00 23.11 ? 22  HIS B O   1 
ATOM   949  C CB  . HIS B 1 23  ? -6.550  25.847 28.478  1.00 19.30 ? 22  HIS B CB  1 
ATOM   950  C CG  . HIS B 1 23  ? -5.354  26.183 29.302  1.00 21.92 ? 22  HIS B CG  1 
ATOM   951  N ND1 . HIS B 1 23  ? -5.301  25.952 30.659  1.00 24.91 ? 22  HIS B ND1 1 
ATOM   952  C CD2 . HIS B 1 23  ? -4.190  26.785 28.975  1.00 23.10 ? 22  HIS B CD2 1 
ATOM   953  C CE1 . HIS B 1 23  ? -4.143  26.376 31.127  1.00 27.65 ? 22  HIS B CE1 1 
ATOM   954  N NE2 . HIS B 1 23  ? -3.449  26.882 30.126  1.00 24.77 ? 22  HIS B NE2 1 
ATOM   955  N N   . GLY B 1 24  ? -6.744  29.059 29.267  1.00 22.71 ? 23  GLY B N   1 
ATOM   956  C CA  . GLY B 1 24  ? -6.030  30.322 29.101  1.00 24.80 ? 23  GLY B CA  1 
ATOM   957  C C   . GLY B 1 24  ? -6.866  31.468 28.570  1.00 23.08 ? 23  GLY B C   1 
ATOM   958  O O   . GLY B 1 24  ? -6.336  32.530 28.245  1.00 22.51 ? 23  GLY B O   1 
ATOM   959  N N   . ALA B 1 25  ? -8.176  31.268 28.481  1.00 21.42 ? 24  ALA B N   1 
ATOM   960  C CA  . ALA B 1 25  ? -9.074  32.337 28.097  1.00 19.54 ? 24  ALA B CA  1 
ATOM   961  C C   . ALA B 1 25  ? -10.232 32.341 29.093  1.00 21.87 ? 24  ALA B C   1 
ATOM   962  O O   . ALA B 1 25  ? -10.054 32.762 30.237  1.00 23.57 ? 24  ALA B O   1 
ATOM   963  C CB  . ALA B 1 25  ? -9.538  32.170 26.651  1.00 19.26 ? 24  ALA B CB  1 
ATOM   964  N N   . GLY B 1 26  ? -11.389 31.840 28.680  1.00 21.92 ? 25  GLY B N   1 
ATOM   965  C CA  . GLY B 1 26  ? -12.593 31.897 29.498  1.00 23.34 ? 25  GLY B CA  1 
ATOM   966  C C   . GLY B 1 26  ? -12.833 30.691 30.377  1.00 23.54 ? 25  GLY B C   1 
ATOM   967  O O   . GLY B 1 26  ? -13.715 30.716 31.238  1.00 22.69 ? 25  GLY B O   1 
ATOM   968  N N   . GLY B 1 27  ? -12.063 29.628 30.164  1.00 23.69 ? 26  GLY B N   1 
ATOM   969  C CA  . GLY B 1 27  ? -12.266 28.397 30.913  1.00 23.90 ? 26  GLY B CA  1 
ATOM   970  C C   . GLY B 1 27  ? -13.597 27.755 30.553  1.00 22.92 ? 26  GLY B C   1 
ATOM   971  O O   . GLY B 1 27  ? -13.871 27.508 29.367  1.00 24.43 ? 26  GLY B O   1 
ATOM   972  N N   . ASP B 1 28  ? -14.419 27.485 31.571  1.00 24.84 ? 27  ASP B N   1 
ATOM   973  C CA  . ASP B 1 28  ? -15.619 26.620 31.450  1.00 24.78 ? 27  ASP B CA  1 
ATOM   974  C C   . ASP B 1 28  ? -16.636 27.022 30.353  1.00 26.67 ? 27  ASP B C   1 
ATOM   975  O O   . ASP B 1 28  ? -17.221 28.102 30.421  1.00 32.03 ? 27  ASP B O   1 
ATOM   976  C CB  . ASP B 1 28  ? -16.325 26.541 32.805  1.00 28.98 ? 27  ASP B CB  1 
ATOM   977  C CG  . ASP B 1 28  ? -17.275 25.360 32.915  1.00 32.11 ? 27  ASP B CG  1 
ATOM   978  O OD1 . ASP B 1 28  ? -17.255 24.479 32.032  1.00 28.34 ? 27  ASP B OD1 1 
ATOM   979  O OD2 . ASP B 1 28  ? -18.038 25.302 33.907  1.00 35.41 ? 27  ASP B OD2 1 
ATOM   980  N N   . LEU B 1 29  ? -16.831 26.142 29.358  1.00 23.41 ? 28  LEU B N   1 
ATOM   981  C CA  . LEU B 1 29  ? -17.943 26.247 28.390  1.00 22.41 ? 28  LEU B CA  1 
ATOM   982  C C   . LEU B 1 29  ? -19.201 25.532 28.866  1.00 22.32 ? 28  LEU B C   1 
ATOM   983  O O   . LEU B 1 29  ? -20.258 25.677 28.255  1.00 27.45 ? 28  LEU B O   1 
ATOM   984  C CB  . LEU B 1 29  ? -17.577 25.638 27.027  1.00 23.20 ? 28  LEU B CB  1 
ATOM   985  C CG  . LEU B 1 29  ? -16.592 26.384 26.142  1.00 24.76 ? 28  LEU B CG  1 
ATOM   986  C CD1 . LEU B 1 29  ? -16.215 25.516 24.950  1.00 24.07 ? 28  LEU B CD1 1 
ATOM   987  C CD2 . LEU B 1 29  ? -17.173 27.706 25.673  1.00 27.35 ? 28  LEU B CD2 1 
ATOM   988  N N   . GLY B 1 30  ? -19.077 24.742 29.926  1.00 23.66 ? 29  GLY B N   1 
ATOM   989  C CA  . GLY B 1 30  ? -20.167 23.916 30.433  1.00 26.58 ? 29  GLY B CA  1 
ATOM   990  C C   . GLY B 1 30  ? -19.988 22.468 30.015  1.00 26.44 ? 29  GLY B C   1 
ATOM   991  O O   . GLY B 1 30  ? -19.535 22.190 28.910  1.00 27.26 ? 29  GLY B O   1 
ATOM   992  N N   . ASN B 1 31  ? -20.367 21.548 30.895  1.00 22.46 ? 30  ASN B N   1 
ATOM   993  C CA  . ASN B 1 31  ? -20.165 20.119 30.678  1.00 19.25 ? 30  ASN B CA  1 
ATOM   994  C C   . ASN B 1 31  ? -20.830 19.608 29.404  1.00 19.86 ? 30  ASN B C   1 
ATOM   995  O O   . ASN B 1 31  ? -21.909 20.065 29.031  1.00 21.71 ? 30  ASN B O   1 
ATOM   996  C CB  . ASN B 1 31  ? -20.735 19.318 31.844  1.00 21.59 ? 30  ASN B CB  1 
ATOM   997  C CG  . ASN B 1 31  ? -20.005 19.563 33.148  1.00 25.00 ? 30  ASN B CG  1 
ATOM   998  O OD1 . ASN B 1 31  ? -18.800 19.804 33.172  1.00 26.42 ? 30  ASN B OD1 1 
ATOM   999  N ND2 . ASN B 1 31  ? -20.739 19.482 34.250  1.00 28.81 ? 30  ASN B ND2 1 
ATOM   1000 N N   . VAL B 1 32  ? -20.180 18.649 28.752  1.00 18.44 ? 31  VAL B N   1 
ATOM   1001 C CA  . VAL B 1 32  ? -20.825 17.866 27.697  1.00 19.62 ? 31  VAL B CA  1 
ATOM   1002 C C   . VAL B 1 32  ? -21.291 16.543 28.296  1.00 20.70 ? 31  VAL B C   1 
ATOM   1003 O O   . VAL B 1 32  ? -20.765 16.103 29.323  1.00 20.38 ? 31  VAL B O   1 
ATOM   1004 C CB  . VAL B 1 32  ? -19.889 17.609 26.495  1.00 19.51 ? 31  VAL B CB  1 
ATOM   1005 C CG1 . VAL B 1 32  ? -19.383 18.933 25.924  1.00 19.67 ? 31  VAL B CG1 1 
ATOM   1006 C CG2 . VAL B 1 32  ? -18.729 16.697 26.869  1.00 19.78 ? 31  VAL B CG2 1 
ATOM   1007 N N   . THR B 1 33  ? -22.271 15.919 27.648  1.00 21.07 ? 32  THR B N   1 
ATOM   1008 C CA  . THR B 1 33  ? -22.841 14.649 28.116  1.00 23.62 ? 32  THR B CA  1 
ATOM   1009 C C   . THR B 1 33  ? -22.589 13.545 27.098  1.00 21.18 ? 32  THR B C   1 
ATOM   1010 O O   . THR B 1 33  ? -23.050 13.627 25.957  1.00 20.50 ? 32  THR B O   1 
ATOM   1011 C CB  . THR B 1 33  ? -24.358 14.753 28.370  1.00 26.57 ? 32  THR B CB  1 
ATOM   1012 O OG1 . THR B 1 33  ? -24.616 15.814 29.297  1.00 29.19 ? 32  THR B OG1 1 
ATOM   1013 C CG2 . THR B 1 33  ? -24.900 13.441 28.943  1.00 29.09 ? 32  THR B CG2 1 
ATOM   1014 N N   . ALA B 1 34  ? -21.854 12.521 27.523  1.00 20.21 ? 33  ALA B N   1 
ATOM   1015 C CA  . ALA B 1 34  ? -21.585 11.352 26.703  1.00 20.28 ? 33  ALA B CA  1 
ATOM   1016 C C   . ALA B 1 34  ? -22.648 10.292 26.964  1.00 19.44 ? 33  ALA B C   1 
ATOM   1017 O O   . ALA B 1 34  ? -22.995 10.006 28.118  1.00 19.32 ? 33  ALA B O   1 
ATOM   1018 C CB  . ALA B 1 34  ? -20.200 10.794 27.000  1.00 23.30 ? 33  ALA B CB  1 
ATOM   1019 N N   . ASP B 1 35  ? -23.157 9.704  25.888  1.00 20.39 ? 34  ASP B N   1 
ATOM   1020 C CA  . ASP B 1 35  ? -24.206 8.691  25.995  1.00 22.28 ? 34  ASP B CA  1 
ATOM   1021 C C   . ASP B 1 35  ? -23.603 7.313  26.275  1.00 23.29 ? 34  ASP B C   1 
ATOM   1022 O O   . ASP B 1 35  ? -22.395 7.196  26.493  1.00 21.90 ? 34  ASP B O   1 
ATOM   1023 C CB  . ASP B 1 35  ? -25.084 8.708  24.734  1.00 23.84 ? 34  ASP B CB  1 
ATOM   1024 C CG  . ASP B 1 35  ? -24.373 8.187  23.486  1.00 24.12 ? 34  ASP B CG  1 
ATOM   1025 O OD1 . ASP B 1 35  ? -23.207 7.748  23.546  1.00 22.83 ? 34  ASP B OD1 1 
ATOM   1026 O OD2 . ASP B 1 35  ? -25.017 8.209  22.423  1.00 30.87 ? 34  ASP B OD2 1 
ATOM   1027 N N   . LYS B 1 36  ? -24.442 6.281  26.248  1.00 25.72 ? 35  LYS B N   1 
ATOM   1028 C CA  . LYS B 1 36  ? -24.014 4.916  26.558  1.00 26.34 ? 35  LYS B CA  1 
ATOM   1029 C C   . LYS B 1 36  ? -22.949 4.402  25.594  1.00 27.30 ? 35  LYS B C   1 
ATOM   1030 O O   . LYS B 1 36  ? -22.170 3.516  25.947  1.00 29.78 ? 35  LYS B O   1 
ATOM   1031 C CB  . LYS B 1 36  ? -25.214 3.945  26.530  1.00 29.31 ? 35  LYS B CB  1 
ATOM   1032 C CG  . LYS B 1 36  ? -26.409 4.377  27.370  1.00 37.38 ? 35  LYS B CG  1 
ATOM   1033 C CD  . LYS B 1 36  ? -27.615 3.457  27.204  1.00 49.48 ? 35  LYS B CD  1 
ATOM   1034 C CE  . LYS B 1 36  ? -27.737 2.463  28.350  1.00 57.97 ? 35  LYS B CE  1 
ATOM   1035 N NZ  . LYS B 1 36  ? -26.564 1.551  28.470  1.00 68.31 ? 35  LYS B NZ  1 
ATOM   1036 N N   . ASP B 1 37  ? -22.919 4.955  24.382  1.00 21.88 ? 36  ASP B N   1 
ATOM   1037 C CA  . ASP B 1 37  ? -21.926 4.578  23.380  1.00 21.80 ? 36  ASP B CA  1 
ATOM   1038 C C   . ASP B 1 37  ? -20.664 5.440  23.439  1.00 21.41 ? 36  ASP B C   1 
ATOM   1039 O O   . ASP B 1 37  ? -19.793 5.321  22.573  1.00 25.68 ? 36  ASP B O   1 
ATOM   1040 C CB  . ASP B 1 37  ? -22.519 4.700  21.977  1.00 23.92 ? 36  ASP B CB  1 
ATOM   1041 C CG  . ASP B 1 37  ? -23.510 3.610  21.658  1.00 29.63 ? 36  ASP B CG  1 
ATOM   1042 O OD1 . ASP B 1 37  ? -23.463 2.510  22.277  1.00 29.06 ? 36  ASP B OD1 1 
ATOM   1043 O OD2 . ASP B 1 37  ? -24.341 3.848  20.756  1.00 35.72 ? 36  ASP B OD2 1 
ATOM   1044 N N   . GLY B 1 38  ? -20.572 6.305  24.445  1.00 22.12 ? 37  GLY B N   1 
ATOM   1045 C CA  . GLY B 1 38  ? -19.419 7.174  24.623  1.00 22.77 ? 37  GLY B CA  1 
ATOM   1046 C C   . GLY B 1 38  ? -19.390 8.384  23.718  1.00 19.86 ? 37  GLY B C   1 
ATOM   1047 O O   . GLY B 1 38  ? -18.344 9.012  23.577  1.00 20.19 ? 37  GLY B O   1 
ATOM   1048 N N   . VAL B 1 39  ? -20.527 8.718  23.114  1.00 19.73 ? 38  VAL B N   1 
ATOM   1049 C CA  . VAL B 1 39  ? -20.627 9.864  22.206  1.00 17.37 ? 38  VAL B CA  1 
ATOM   1050 C C   . VAL B 1 39  ? -21.324 11.038 22.887  1.00 17.45 ? 38  VAL B C   1 
ATOM   1051 O O   . VAL B 1 39  ? -22.413 10.896 23.437  1.00 18.55 ? 38  VAL B O   1 
ATOM   1052 C CB  . VAL B 1 39  ? -21.398 9.505  20.917  1.00 19.34 ? 38  VAL B CB  1 
ATOM   1053 C CG1 . VAL B 1 39  ? -21.477 10.710 19.983  1.00 22.22 ? 38  VAL B CG1 1 
ATOM   1054 C CG2 . VAL B 1 39  ? -20.739 8.324  20.218  1.00 25.50 ? 38  VAL B CG2 1 
ATOM   1055 N N   . ALA B 1 40  ? -20.667 12.193 22.832  1.00 18.57 ? 39  ALA B N   1 
ATOM   1056 C CA  . ALA B 1 40  ? -21.228 13.449 23.276  1.00 18.13 ? 39  ALA B CA  1 
ATOM   1057 C C   . ALA B 1 40  ? -21.454 14.336 22.065  1.00 18.61 ? 39  ALA B C   1 
ATOM   1058 O O   . ALA B 1 40  ? -20.512 14.679 21.357  1.00 21.42 ? 39  ALA B O   1 
ATOM   1059 C CB  . ALA B 1 40  ? -20.290 14.134 24.256  1.00 18.97 ? 39  ALA B CB  1 
ATOM   1060 N N   . ASP B 1 41  ? -22.711 14.693 21.827  1.00 17.50 ? 40  ASP B N   1 
ATOM   1061 C CA  . ASP B 1 41  ? -23.076 15.659 20.799  1.00 18.36 ? 40  ASP B CA  1 
ATOM   1062 C C   . ASP B 1 41  ? -23.164 17.033 21.463  1.00 19.55 ? 40  ASP B C   1 
ATOM   1063 O O   . ASP B 1 41  ? -23.776 17.181 22.518  1.00 22.77 ? 40  ASP B O   1 
ATOM   1064 C CB  . ASP B 1 41  ? -24.415 15.288 20.147  1.00 22.01 ? 40  ASP B CB  1 
ATOM   1065 C CG  . ASP B 1 41  ? -24.326 14.031 19.311  1.00 27.71 ? 40  ASP B CG  1 
ATOM   1066 O OD1 . ASP B 1 41  ? -23.568 14.033 18.321  1.00 29.83 ? 40  ASP B OD1 1 
ATOM   1067 O OD2 . ASP B 1 41  ? -25.020 13.042 19.635  1.00 28.96 ? 40  ASP B OD2 1 
ATOM   1068 N N   . VAL B 1 42  ? -22.544 18.030 20.836  1.00 18.18 ? 41  VAL B N   1 
ATOM   1069 C CA  . VAL B 1 42  ? -22.420 19.361 21.403  1.00 18.47 ? 41  VAL B CA  1 
ATOM   1070 C C   . VAL B 1 42  ? -23.140 20.350 20.502  1.00 16.39 ? 41  VAL B C   1 
ATOM   1071 O O   . VAL B 1 42  ? -22.929 20.348 19.297  1.00 14.53 ? 41  VAL B O   1 
ATOM   1072 C CB  . VAL B 1 42  ? -20.926 19.751 21.519  1.00 19.04 ? 41  VAL B CB  1 
ATOM   1073 C CG1 . VAL B 1 42  ? -20.759 21.154 22.084  1.00 20.43 ? 41  VAL B CG1 1 
ATOM   1074 C CG2 . VAL B 1 42  ? -20.164 18.730 22.356  1.00 21.21 ? 41  VAL B CG2 1 
ATOM   1075 N N   . SER B 1 43  ? -24.012 21.164 21.083  1.00 17.73 ? 42  SER B N   1 
ATOM   1076 C CA  . SER B 1 43  ? -24.645 22.269 20.370  1.00 20.03 ? 42  SER B CA  1 
ATOM   1077 C C   . SER B 1 43  ? -25.033 23.354 21.359  1.00 22.05 ? 42  SER B C   1 
ATOM   1078 O O   . SER B 1 43  ? -26.055 23.264 22.048  1.00 25.21 ? 42  SER B O   1 
ATOM   1079 C CB  . SER B 1 43  ? -25.869 21.814 19.574  1.00 26.33 ? 42  SER B CB  1 
ATOM   1080 O OG  . SER B 1 43  ? -26.339 22.865 18.746  1.00 29.80 ? 42  SER B OG  1 
ATOM   1081 N N   . ILE B 1 44  ? -24.207 24.390 21.420  1.00 18.05 ? 43  ILE B N   1 
ATOM   1082 C CA  . ILE B 1 44  ? -24.442 25.480 22.347  1.00 19.29 ? 43  ILE B CA  1 
ATOM   1083 C C   . ILE B 1 44  ? -24.145 26.829 21.720  1.00 19.12 ? 43  ILE B C   1 
ATOM   1084 O O   . ILE B 1 44  ? -23.552 26.922 20.642  1.00 19.00 ? 43  ILE B O   1 
ATOM   1085 C CB  . ILE B 1 44  ? -23.614 25.309 23.631  1.00 24.17 ? 43  ILE B CB  1 
ATOM   1086 C CG1 . ILE B 1 44  ? -22.125 25.358 23.316  1.00 24.26 ? 43  ILE B CG1 1 
ATOM   1087 C CG2 . ILE B 1 44  ? -23.984 24.004 24.323  1.00 27.41 ? 43  ILE B CG2 1 
ATOM   1088 C CD1 . ILE B 1 44  ? -21.218 25.196 24.516  1.00 30.37 ? 43  ILE B CD1 1 
ATOM   1089 N N   . GLU B 1 45  ? -24.587 27.863 22.416  1.00 18.75 ? 44  GLU B N   1 
ATOM   1090 C CA  . GLU B 1 45  ? -24.313 29.232 22.043  1.00 18.11 ? 44  GLU B CA  1 
ATOM   1091 C C   . GLU B 1 45  ? -23.759 29.923 23.273  1.00 15.59 ? 44  GLU B C   1 
ATOM   1092 O O   . GLU B 1 45  ? -24.308 29.779 24.366  1.00 20.76 ? 44  GLU B O   1 
ATOM   1093 C CB  . GLU B 1 45  ? -25.593 29.912 21.574  1.00 25.36 ? 44  GLU B CB  1 
ATOM   1094 C CG  . GLU B 1 45  ? -25.380 31.287 20.971  1.00 30.09 ? 44  GLU B CG  1 
ATOM   1095 C CD  . GLU B 1 45  ? -26.648 31.845 20.361  1.00 39.69 ? 44  GLU B CD  1 
ATOM   1096 O OE1 . GLU B 1 45  ? -27.360 31.086 19.669  1.00 45.50 ? 44  GLU B OE1 1 
ATOM   1097 O OE2 . GLU B 1 45  ? -26.937 33.041 20.574  1.00 42.54 ? 44  GLU B OE2 1 
ATOM   1098 N N   . ASP B 1 46  ? -22.680 30.668 23.079  1.00 16.26 ? 45  ASP B N   1 
ATOM   1099 C CA  . ASP B 1 46  ? -21.975 31.345 24.157  1.00 15.25 ? 45  ASP B CA  1 
ATOM   1100 C C   . ASP B 1 46  ? -21.792 32.807 23.755  1.00 16.42 ? 45  ASP B C   1 
ATOM   1101 O O   . ASP B 1 46  ? -21.240 33.101 22.698  1.00 16.48 ? 45  ASP B O   1 
ATOM   1102 C CB  . ASP B 1 46  ? -20.629 30.656 24.393  1.00 16.93 ? 45  ASP B CB  1 
ATOM   1103 C CG  . ASP B 1 46  ? -19.904 31.160 25.627  1.00 18.01 ? 45  ASP B CG  1 
ATOM   1104 O OD1 . ASP B 1 46  ? -19.652 32.374 25.750  1.00 15.70 ? 45  ASP B OD1 1 
ATOM   1105 O OD2 . ASP B 1 46  ? -19.549 30.317 26.474  1.00 25.03 ? 45  ASP B OD2 1 
ATOM   1106 N N   . SER B 1 47  ? -22.277 33.710 24.602  1.00 17.35 ? 46  SER B N   1 
ATOM   1107 C CA  . SER B 1 47  ? -22.252 35.135 24.315  1.00 20.29 ? 46  SER B CA  1 
ATOM   1108 C C   . SER B 1 47  ? -21.124 35.886 25.034  1.00 17.44 ? 46  SER B C   1 
ATOM   1109 O O   . SER B 1 47  ? -21.066 37.126 25.004  1.00 18.86 ? 46  SER B O   1 
ATOM   1110 C CB  . SER B 1 47  ? -23.604 35.753 24.673  1.00 22.40 ? 46  SER B CB  1 
ATOM   1111 O OG  . SER B 1 47  ? -24.009 35.362 25.961  1.00 24.52 ? 46  SER B OG  1 
ATOM   1112 N N   . VAL B 1 48  ? -20.221 35.147 25.672  1.00 15.71 ? 47  VAL B N   1 
ATOM   1113 C CA  . VAL B 1 48  ? -19.044 35.755 26.283  1.00 15.42 ? 47  VAL B CA  1 
ATOM   1114 C C   . VAL B 1 48  ? -17.817 35.562 25.392  1.00 15.76 ? 47  VAL B C   1 
ATOM   1115 O O   . VAL B 1 48  ? -17.090 36.512 25.135  1.00 17.33 ? 47  VAL B O   1 
ATOM   1116 C CB  . VAL B 1 48  ? -18.804 35.201 27.700  1.00 16.78 ? 47  VAL B CB  1 
ATOM   1117 C CG1 . VAL B 1 48  ? -17.443 35.641 28.234  1.00 17.65 ? 47  VAL B CG1 1 
ATOM   1118 C CG2 . VAL B 1 48  ? -19.920 35.676 28.621  1.00 18.49 ? 47  VAL B CG2 1 
ATOM   1119 N N   . ILE B 1 49  ? -17.607 34.351 24.892  1.00 13.67 ? 48  ILE B N   1 
ATOM   1120 C CA  . ILE B 1 49  ? -16.449 34.064 24.046  1.00 13.16 ? 48  ILE B CA  1 
ATOM   1121 C C   . ILE B 1 49  ? -16.582 34.764 22.690  1.00 12.57 ? 48  ILE B C   1 
ATOM   1122 O O   . ILE B 1 49  ? -17.679 35.148 22.275  1.00 13.09 ? 48  ILE B O   1 
ATOM   1123 C CB  . ILE B 1 49  ? -16.226 32.546 23.833  1.00 14.15 ? 48  ILE B CB  1 
ATOM   1124 C CG1 . ILE B 1 49  ? -17.367 31.917 23.016  1.00 14.13 ? 48  ILE B CG1 1 
ATOM   1125 C CG2 . ILE B 1 49  ? -16.068 31.842 25.173  1.00 15.84 ? 48  ILE B CG2 1 
ATOM   1126 C CD1 . ILE B 1 49  ? -17.211 30.432 22.766  1.00 15.25 ? 48  ILE B CD1 1 
ATOM   1127 N N   . SER B 1 50  ? -15.453 34.909 22.005  1.00 12.48 ? 49  SER B N   1 
ATOM   1128 C CA  . SER B 1 50  ? -15.411 35.551 20.699  1.00 12.10 ? 49  SER B CA  1 
ATOM   1129 C C   . SER B 1 50  ? -14.307 34.949 19.850  1.00 12.54 ? 49  SER B C   1 
ATOM   1130 O O   . SER B 1 50  ? -13.322 34.444 20.379  1.00 12.89 ? 49  SER B O   1 
ATOM   1131 C CB  . SER B 1 50  ? -15.188 37.054 20.833  1.00 14.05 ? 49  SER B CB  1 
ATOM   1132 O OG  . SER B 1 50  ? -15.339 37.694 19.573  1.00 15.77 ? 49  SER B OG  1 
ATOM   1133 N N   . LEU B 1 51  ? -14.494 34.984 18.533  1.00 12.59 ? 50  LEU B N   1 
ATOM   1134 C CA  . LEU B 1 51  ? -13.481 34.502 17.585  1.00 12.41 ? 50  LEU B CA  1 
ATOM   1135 C C   . LEU B 1 51  ? -12.681 35.632 16.939  1.00 14.30 ? 50  LEU B C   1 
ATOM   1136 O O   . LEU B 1 51  ? -11.823 35.381 16.088  1.00 17.50 ? 50  LEU B O   1 
ATOM   1137 C CB  . LEU B 1 51  ? -14.134 33.659 16.483  1.00 12.26 ? 50  LEU B CB  1 
ATOM   1138 C CG  . LEU B 1 51  ? -14.961 32.442 16.920  1.00 12.88 ? 50  LEU B CG  1 
ATOM   1139 C CD1 . LEU B 1 51  ? -15.455 31.696 15.690  1.00 14.52 ? 50  LEU B CD1 1 
ATOM   1140 C CD2 . LEU B 1 51  ? -14.153 31.522 17.824  1.00 13.94 ? 50  LEU B CD2 1 
ATOM   1141 N N   . SER B 1 52  ? -12.983 36.870 17.314  1.00 17.45 ? 51  SER B N   1 
ATOM   1142 C CA  . SER B 1 52  ? -12.220 38.028 16.863  1.00 20.80 ? 51  SER B CA  1 
ATOM   1143 C C   . SER B 1 52  ? -12.049 38.989 18.018  1.00 18.82 ? 51  SER B C   1 
ATOM   1144 O O   . SER B 1 52  ? -12.630 38.803 19.086  1.00 19.05 ? 51  SER B O   1 
ATOM   1145 C CB  . SER B 1 52  ? -12.921 38.735 15.701  1.00 29.18 ? 51  SER B CB  1 
ATOM   1146 O OG  . SER B 1 52  ? -14.238 39.110 16.055  1.00 32.25 ? 51  SER B OG  1 
ATOM   1147 N N   . GLY B 1 53  ? -11.232 40.007 17.796  1.00 20.11 ? 52  GLY B N   1 
ATOM   1148 C CA  . GLY B 1 53  ? -11.025 41.047 18.775  1.00 19.30 ? 52  GLY B CA  1 
ATOM   1149 C C   . GLY B 1 53  ? -9.975  40.652 19.791  1.00 18.47 ? 52  GLY B C   1 
ATOM   1150 O O   . GLY B 1 53  ? -9.338  39.593 19.670  1.00 17.08 ? 52  GLY B O   1 
ATOM   1151 N N   . ASP B 1 54  ? -9.809  41.502 20.805  1.00 16.13 ? 53  ASP B N   1 
ATOM   1152 C CA  . ASP B 1 54  ? -8.712  41.336 21.763  1.00 16.15 ? 53  ASP B CA  1 
ATOM   1153 C C   . ASP B 1 54  ? -8.895  40.202 22.771  1.00 14.63 ? 53  ASP B C   1 
ATOM   1154 O O   . ASP B 1 54  ? -7.974  39.913 23.544  1.00 16.33 ? 53  ASP B O   1 
ATOM   1155 C CB  . ASP B 1 54  ? -8.357  42.672 22.460  1.00 16.46 ? 53  ASP B CB  1 
ATOM   1156 C CG  . ASP B 1 54  ? -9.468  43.234 23.337  1.00 16.32 ? 53  ASP B CG  1 
ATOM   1157 O OD1 . ASP B 1 54  ? -10.070 42.495 24.137  1.00 15.67 ? 53  ASP B OD1 1 
ATOM   1158 O OD2 . ASP B 1 54  ? -9.672  44.468 23.282  1.00 18.74 ? 53  ASP B OD2 1 
ATOM   1159 N N   . HIS B 1 55  ? -10.063 39.556 22.746  1.00 13.31 ? 54  HIS B N   1 
ATOM   1160 C CA  . HIS B 1 55  ? -10.298 38.349 23.531  1.00 13.34 ? 54  HIS B CA  1 
ATOM   1161 C C   . HIS B 1 55  ? -10.553 37.132 22.651  1.00 13.59 ? 54  HIS B C   1 
ATOM   1162 O O   . HIS B 1 55  ? -11.139 36.152 23.100  1.00 13.97 ? 54  HIS B O   1 
ATOM   1163 C CB  . HIS B 1 55  ? -11.483 38.541 24.486  1.00 11.95 ? 54  HIS B CB  1 
ATOM   1164 C CG  . HIS B 1 55  ? -11.116 39.183 25.781  1.00 12.30 ? 54  HIS B CG  1 
ATOM   1165 N ND1 . HIS B 1 55  ? -10.500 40.412 25.852  1.00 10.55 ? 54  HIS B ND1 1 
ATOM   1166 C CD2 . HIS B 1 55  ? -11.306 38.779 27.058  1.00 13.78 ? 54  HIS B CD2 1 
ATOM   1167 C CE1 . HIS B 1 55  ? -10.328 40.738 27.121  1.00 12.34 ? 54  HIS B CE1 1 
ATOM   1168 N NE2 . HIS B 1 55  ? -10.812 39.766 27.874  1.00 13.64 ? 54  HIS B NE2 1 
ATOM   1169 N N   . SER B 1 56  ? -10.127 37.189 21.396  1.00 12.36 ? 55  SER B N   1 
ATOM   1170 C CA  . SER B 1 56  ? -10.325 36.054 20.500  1.00 11.92 ? 55  SER B CA  1 
ATOM   1171 C C   . SER B 1 56  ? -9.772  34.784 21.101  1.00 11.16 ? 55  SER B C   1 
ATOM   1172 O O   . SER B 1 56  ? -8.657  34.783 21.637  1.00 12.98 ? 55  SER B O   1 
ATOM   1173 C CB  . SER B 1 56  ? -9.625  36.287 19.171  1.00 12.35 ? 55  SER B CB  1 
ATOM   1174 O OG  . SER B 1 56  ? -9.752  35.150 18.336  1.00 13.61 ? 55  SER B OG  1 
ATOM   1175 N N   . ILE B 1 57  ? -10.529 33.695 20.974  1.00 11.26 ? 56  ILE B N   1 
ATOM   1176 C CA  . ILE B 1 57  ? -10.063 32.389 21.438  1.00 11.17 ? 56  ILE B CA  1 
ATOM   1177 C C   . ILE B 1 57  ? -9.389  31.562 20.333  1.00 10.75 ? 56  ILE B C   1 
ATOM   1178 O O   . ILE B 1 57  ? -9.006  30.417 20.571  1.00 11.40 ? 56  ILE B O   1 
ATOM   1179 C CB  . ILE B 1 57  ? -11.184 31.583 22.122  1.00 13.11 ? 56  ILE B CB  1 
ATOM   1180 C CG1 . ILE B 1 57  ? -12.287 31.193 21.130  1.00 11.66 ? 56  ILE B CG1 1 
ATOM   1181 C CG2 . ILE B 1 57  ? -11.724 32.393 23.292  1.00 13.35 ? 56  ILE B CG2 1 
ATOM   1182 C CD1 . ILE B 1 57  ? -13.314 30.223 21.687  1.00 13.92 ? 56  ILE B CD1 1 
ATOM   1183 N N   . ILE B 1 58  ? -9.239  32.140 19.141  1.00 11.63 ? 57  ILE B N   1 
ATOM   1184 C CA  . ILE B 1 58  ? -8.450  31.510 18.071  1.00 11.01 ? 57  ILE B CA  1 
ATOM   1185 C C   . ILE B 1 58  ? -7.026  31.300 18.601  1.00 10.96 ? 57  ILE B C   1 
ATOM   1186 O O   . ILE B 1 58  ? -6.420  32.215 19.181  1.00 12.96 ? 57  ILE B O   1 
ATOM   1187 C CB  . ILE B 1 58  ? -8.381  32.385 16.786  1.00 12.86 ? 57  ILE B CB  1 
ATOM   1188 C CG1 . ILE B 1 58  ? -9.760  32.668 16.200  1.00 15.76 ? 57  ILE B CG1 1 
ATOM   1189 C CG2 . ILE B 1 58  ? -7.463  31.760 15.743  1.00 13.22 ? 57  ILE B CG2 1 
ATOM   1190 C CD1 . ILE B 1 58  ? -10.502 31.465 15.705  1.00 17.53 ? 57  ILE B CD1 1 
ATOM   1191 N N   . GLY B 1 59  ? -6.514  30.086 18.447  1.00 11.34 ? 58  GLY B N   1 
ATOM   1192 C CA  . GLY B 1 59  ? -5.184  29.751 18.946  1.00 11.71 ? 58  GLY B CA  1 
ATOM   1193 C C   . GLY B 1 59  ? -5.145  29.256 20.381  1.00 11.34 ? 58  GLY B C   1 
ATOM   1194 O O   . GLY B 1 59  ? -4.086  28.852 20.856  1.00 12.62 ? 58  GLY B O   1 
ATOM   1195 N N   . ARG B 1 60  ? -6.275  29.303 21.085  1.00 10.77 ? 59  ARG B N   1 
ATOM   1196 C CA  . ARG B 1 60  ? -6.355  28.733 22.421  1.00 11.36 ? 59  ARG B CA  1 
ATOM   1197 C C   . ARG B 1 60  ? -6.642  27.238 22.324  1.00 11.23 ? 59  ARG B C   1 
ATOM   1198 O O   . ARG B 1 60  ? -7.122  26.761 21.304  1.00 11.94 ? 59  ARG B O   1 
ATOM   1199 C CB  . ARG B 1 60  ? -7.441  29.411 23.265  1.00 12.36 ? 59  ARG B CB  1 
ATOM   1200 C CG  . ARG B 1 60  ? -7.210  30.887 23.534  1.00 13.64 ? 59  ARG B CG  1 
ATOM   1201 C CD  . ARG B 1 60  ? -6.009  31.166 24.414  1.00 17.51 ? 59  ARG B CD  1 
ATOM   1202 N NE  . ARG B 1 60  ? -5.933  32.608 24.674  1.00 20.69 ? 59  ARG B NE  1 
ATOM   1203 C CZ  . ARG B 1 60  ? -4.947  33.240 25.311  1.00 25.80 ? 59  ARG B CZ  1 
ATOM   1204 N NH1 . ARG B 1 60  ? -3.904  32.577 25.804  1.00 26.34 ? 59  ARG B NH1 1 
ATOM   1205 N NH2 . ARG B 1 60  ? -5.020  34.561 25.465  1.00 27.06 ? 59  ARG B NH2 1 
ATOM   1206 N N   . THR B 1 61  ? -6.352  26.518 23.401  1.00 12.97 ? 60  THR B N   1 
ATOM   1207 C CA  . THR B 1 61  ? -6.529  25.076 23.442  1.00 12.98 ? 60  THR B CA  1 
ATOM   1208 C C   . THR B 1 61  ? -7.862  24.739 24.121  1.00 12.64 ? 60  THR B C   1 
ATOM   1209 O O   . THR B 1 61  ? -8.129  25.168 25.255  1.00 15.97 ? 60  THR B O   1 
ATOM   1210 C CB  . THR B 1 61  ? -5.359  24.421 24.190  1.00 14.73 ? 60  THR B CB  1 
ATOM   1211 O OG1 . THR B 1 61  ? -4.155  24.600 23.439  1.00 17.36 ? 60  THR B OG1 1 
ATOM   1212 C CG2 . THR B 1 61  ? -5.587  22.922 24.387  1.00 17.30 ? 60  THR B CG2 1 
ATOM   1213 N N   . LEU B 1 62  ? -8.697  23.996 23.399  1.00 11.86 ? 61  LEU B N   1 
ATOM   1214 C CA  . LEU B 1 62  ? -9.943  23.438 23.922  1.00 12.62 ? 61  LEU B CA  1 
ATOM   1215 C C   . LEU B 1 62  ? -9.645  22.109 24.589  1.00 13.22 ? 61  LEU B C   1 
ATOM   1216 O O   . LEU B 1 62  ? -8.938  21.281 24.026  1.00 13.27 ? 61  LEU B O   1 
ATOM   1217 C CB  . LEU B 1 62  ? -10.930 23.206 22.767  1.00 12.76 ? 61  LEU B CB  1 
ATOM   1218 C CG  . LEU B 1 62  ? -12.344 22.697 23.090  1.00 13.95 ? 61  LEU B CG  1 
ATOM   1219 C CD1 . LEU B 1 62  ? -13.117 23.695 23.931  1.00 16.01 ? 61  LEU B CD1 1 
ATOM   1220 C CD2 . LEU B 1 62  ? -13.125 22.386 21.819  1.00 14.35 ? 61  LEU B CD2 1 
ATOM   1221 N N   . VAL B 1 63  ? -10.189 21.903 25.782  1.00 15.34 ? 62  VAL B N   1 
ATOM   1222 C CA  . VAL B 1 63  ? -9.932  20.685 26.532  1.00 15.67 ? 62  VAL B CA  1 
ATOM   1223 C C   . VAL B 1 63  ? -11.241 20.055 26.997  1.00 15.72 ? 62  VAL B C   1 
ATOM   1224 O O   . VAL B 1 63  ? -12.216 20.749 27.314  1.00 16.86 ? 62  VAL B O   1 
ATOM   1225 C CB  . VAL B 1 63  ? -8.970  20.919 27.725  1.00 18.10 ? 62  VAL B CB  1 
ATOM   1226 C CG1 . VAL B 1 63  ? -7.727  21.682 27.284  1.00 20.11 ? 62  VAL B CG1 1 
ATOM   1227 C CG2 . VAL B 1 63  ? -9.654  21.647 28.866  1.00 23.32 ? 62  VAL B CG2 1 
ATOM   1228 N N   . VAL B 1 64  ? -11.255 18.728 27.000  1.00 15.17 ? 63  VAL B N   1 
ATOM   1229 C CA  . VAL B 1 64  ? -12.337 17.977 27.610  1.00 16.10 ? 63  VAL B CA  1 
ATOM   1230 C C   . VAL B 1 64  ? -11.725 17.062 28.672  1.00 15.44 ? 63  VAL B C   1 
ATOM   1231 O O   . VAL B 1 64  ? -10.680 16.445 28.443  1.00 16.72 ? 63  VAL B O   1 
ATOM   1232 C CB  . VAL B 1 64  ? -13.176 17.187 26.562  1.00 19.78 ? 63  VAL B CB  1 
ATOM   1233 C CG1 . VAL B 1 64  ? -12.330 16.245 25.726  1.00 23.53 ? 63  VAL B CG1 1 
ATOM   1234 C CG2 . VAL B 1 64  ? -14.284 16.392 27.238  1.00 16.61 ? 63  VAL B CG2 1 
ATOM   1235 N N   . HIS B 1 65  ? -12.358 17.006 29.837  1.00 16.83 ? 64  HIS B N   1 
ATOM   1236 C CA  . HIS B 1 65  ? -11.953 16.074 30.875  1.00 18.51 ? 64  HIS B CA  1 
ATOM   1237 C C   . HIS B 1 65  ? -12.366 14.665 30.462  1.00 23.01 ? 64  HIS B C   1 
ATOM   1238 O O   . HIS B 1 65  ? -13.552 14.414 30.255  1.00 25.20 ? 64  HIS B O   1 
ATOM   1239 C CB  . HIS B 1 65  ? -12.656 16.399 32.181  1.00 23.04 ? 64  HIS B CB  1 
ATOM   1240 C CG  . HIS B 1 65  ? -12.016 17.495 32.967  1.00 28.70 ? 64  HIS B CG  1 
ATOM   1241 N ND1 . HIS B 1 65  ? -12.077 17.545 34.344  1.00 33.67 ? 64  HIS B ND1 1 
ATOM   1242 C CD2 . HIS B 1 65  ? -11.298 18.577 32.583  1.00 29.46 ? 64  HIS B CD2 1 
ATOM   1243 C CE1 . HIS B 1 65  ? -11.434 18.615 34.775  1.00 35.62 ? 64  HIS B CE1 1 
ATOM   1244 N NE2 . HIS B 1 65  ? -10.951 19.258 33.727  1.00 33.33 ? 64  HIS B NE2 1 
ATOM   1245 N N   . GLU B 1 66  ? -11.401 13.752 30.357  1.00 25.37 ? 65  GLU B N   1 
ATOM   1246 C CA  . GLU B 1 66  ? -11.698 12.350 30.037  1.00 24.00 ? 65  GLU B CA  1 
ATOM   1247 C C   . GLU B 1 66  ? -12.352 11.622 31.221  1.00 28.48 ? 65  GLU B C   1 
ATOM   1248 O O   . GLU B 1 66  ? -13.048 10.629 31.021  1.00 30.17 ? 65  GLU B O   1 
ATOM   1249 C CB  . GLU B 1 66  ? -10.436 11.625 29.557  1.00 26.04 ? 65  GLU B CB  1 
ATOM   1250 C CG  . GLU B 1 66  ? -9.837  12.260 28.304  1.00 27.80 ? 65  GLU B CG  1 
ATOM   1251 C CD  . GLU B 1 66  ? -8.651  11.494 27.748  1.00 32.49 ? 65  GLU B CD  1 
ATOM   1252 O OE1 . GLU B 1 66  ? -8.115  10.629 28.472  1.00 38.94 ? 65  GLU B OE1 1 
ATOM   1253 O OE2 . GLU B 1 66  ? -8.254  11.759 26.586  1.00 35.05 ? 65  GLU B OE2 1 
ATOM   1254 N N   . LYS B 1 67  ? -12.139 12.113 32.443  1.00 26.88 ? 66  LYS B N   1 
ATOM   1255 C CA  . LYS B 1 67  ? -12.827 11.571 33.617  1.00 28.95 ? 66  LYS B CA  1 
ATOM   1256 C C   . LYS B 1 67  ? -14.223 12.188 33.709  1.00 31.40 ? 66  LYS B C   1 
ATOM   1257 O O   . LYS B 1 67  ? -14.382 13.393 33.539  1.00 30.40 ? 66  LYS B O   1 
ATOM   1258 C CB  . LYS B 1 67  ? -12.021 11.859 34.888  1.00 31.00 ? 66  LYS B CB  1 
ATOM   1259 C CG  . LYS B 1 67  ? -12.614 11.302 36.176  1.00 35.34 ? 66  LYS B CG  1 
ATOM   1260 C CD  . LYS B 1 67  ? -11.631 11.476 37.329  1.00 42.53 ? 66  LYS B CD  1 
ATOM   1261 C CE  . LYS B 1 67  ? -12.310 11.818 38.649  1.00 47.28 ? 66  LYS B CE  1 
ATOM   1262 N NZ  . LYS B 1 67  ? -13.199 10.736 39.156  1.00 54.70 ? 66  LYS B NZ  1 
ATOM   1263 N N   . ALA B 1 68  ? -15.233 11.357 33.960  1.00 30.78 ? 67  ALA B N   1 
ATOM   1264 C CA  . ALA B 1 68  ? -16.611 11.842 34.108  1.00 31.13 ? 67  ALA B CA  1 
ATOM   1265 C C   . ALA B 1 68  ? -16.810 12.496 35.477  1.00 31.94 ? 67  ALA B C   1 
ATOM   1266 O O   . ALA B 1 68  ? -16.293 12.007 36.482  1.00 34.49 ? 67  ALA B O   1 
ATOM   1267 C CB  . ALA B 1 68  ? -17.610 10.706 33.919  1.00 33.50 ? 67  ALA B CB  1 
ATOM   1268 N N   . GLY B 1 69  ? -17.559 13.597 35.510  1.00 31.50 ? 68  GLY B N   1 
ATOM   1269 C CA  . GLY B 1 69  ? -17.866 14.289 36.765  1.00 36.48 ? 68  GLY B CA  1 
ATOM   1270 C C   . GLY B 1 69  ? -16.801 15.291 37.189  1.00 41.45 ? 68  GLY B C   1 
ATOM   1271 O O   . GLY B 1 69  ? -15.868 15.572 36.437  1.00 45.70 ? 68  GLY B O   1 
ATOM   1272 N N   . ALA B 1 70  ? -16.930 15.813 38.410  1.00 40.93 ? 69  ALA B N   1 
ATOM   1273 C CA  . ALA B 1 70  ? -16.118 16.953 38.867  1.00 45.42 ? 69  ALA B CA  1 
ATOM   1274 C C   . ALA B 1 70  ? -14.913 16.581 39.749  1.00 43.85 ? 69  ALA B C   1 
ATOM   1275 O O   . ALA B 1 70  ? -14.346 17.446 40.419  1.00 49.19 ? 69  ALA B O   1 
ATOM   1276 C CB  . ALA B 1 70  ? -17.008 17.953 39.596  1.00 50.17 ? 69  ALA B CB  1 
ATOM   1277 N N   . GLY B 1 71  ? -14.518 15.309 39.742  1.00 43.39 ? 70  GLY B N   1 
ATOM   1278 C CA  . GLY B 1 71  ? -13.387 14.849 40.549  1.00 42.52 ? 70  GLY B CA  1 
ATOM   1279 C C   . GLY B 1 71  ? -12.051 15.231 39.935  1.00 42.00 ? 70  GLY B C   1 
ATOM   1280 O O   . GLY B 1 71  ? -11.912 15.253 38.710  1.00 45.88 ? 70  GLY B O   1 
ATOM   1281 N N   . ALA B 1 72  ? -11.065 15.525 40.784  1.00 44.21 ? 71  ALA B N   1 
ATOM   1282 C CA  . ALA B 1 72  ? -9.717  15.875 40.324  1.00 41.04 ? 71  ALA B CA  1 
ATOM   1283 C C   . ALA B 1 72  ? -9.008  14.671 39.695  1.00 38.16 ? 71  ALA B C   1 
ATOM   1284 O O   . ALA B 1 72  ? -9.472  13.529 39.807  1.00 39.68 ? 71  ALA B O   1 
ATOM   1285 C CB  . ALA B 1 72  ? -8.888  16.431 41.477  1.00 41.24 ? 71  ALA B CB  1 
ATOM   1286 N N   . GLY B 1 73  ? -7.889  14.939 39.024  1.00 37.84 ? 72  GLY B N   1 
ATOM   1287 C CA  . GLY B 1 73  ? -7.051  13.884 38.447  1.00 38.28 ? 72  GLY B CA  1 
ATOM   1288 C C   . GLY B 1 73  ? -7.417  13.464 37.031  1.00 37.87 ? 72  GLY B C   1 
ATOM   1289 O O   . GLY B 1 73  ? -6.913  12.452 36.539  1.00 39.85 ? 72  GLY B O   1 
ATOM   1290 N N   . SER B 1 74  ? -8.281  14.222 36.360  1.00 35.79 ? 73  SER B N   1 
ATOM   1291 C CA  . SER B 1 74  ? -8.674  13.865 34.997  1.00 30.65 ? 73  SER B CA  1 
ATOM   1292 C C   . SER B 1 74  ? -7.535  14.075 34.005  1.00 32.53 ? 73  SER B C   1 
ATOM   1293 O O   . SER B 1 74  ? -6.855  15.104 34.030  1.00 33.67 ? 73  SER B O   1 
ATOM   1294 C CB  . SER B 1 74  ? -9.868  14.700 34.534  1.00 30.87 ? 73  SER B CB  1 
ATOM   1295 O OG  . SER B 1 74  ? -10.259 14.327 33.223  1.00 29.98 ? 73  SER B OG  1 
ATOM   1296 N N   . ARG B 1 75  ? -7.339  13.104 33.118  1.00 32.56 ? 74  ARG B N   1 
ATOM   1297 C CA  . ARG B 1 75  ? -6.546  13.348 31.921  1.00 32.43 ? 74  ARG B CA  1 
ATOM   1298 C C   . ARG B 1 75  ? -7.396  14.177 30.964  1.00 28.93 ? 74  ARG B C   1 
ATOM   1299 O O   . ARG B 1 75  ? -8.619  14.258 31.120  1.00 28.18 ? 74  ARG B O   1 
ATOM   1300 C CB  . ARG B 1 75  ? -6.099  12.033 31.285  1.00 40.03 ? 74  ARG B CB  1 
ATOM   1301 C CG  . ARG B 1 75  ? -5.157  11.244 32.189  1.00 42.79 ? 74  ARG B CG  1 
ATOM   1302 C CD  . ARG B 1 75  ? -5.457  9.759  32.150  1.00 54.81 ? 74  ARG B CD  1 
ATOM   1303 N NE  . ARG B 1 75  ? -4.880  9.084  30.988  1.00 73.50 ? 74  ARG B NE  1 
ATOM   1304 C CZ  . ARG B 1 75  ? -5.218  7.859  30.579  1.00 76.40 ? 74  ARG B CZ  1 
ATOM   1305 N NH1 . ARG B 1 75  ? -6.152  7.156  31.218  1.00 83.55 ? 74  ARG B NH1 1 
ATOM   1306 N NH2 . ARG B 1 75  ? -4.625  7.330  29.514  1.00 63.65 ? 74  ARG B NH2 1 
ATOM   1307 N N   . LEU B 1 76  ? -6.737  14.804 29.996  1.00 27.42 ? 75  LEU B N   1 
ATOM   1308 C CA  . LEU B 1 76  ? -7.387  15.716 29.058  1.00 23.77 ? 75  LEU B CA  1 
ATOM   1309 C C   . LEU B 1 76  ? -7.215  15.239 27.622  1.00 22.35 ? 75  LEU B C   1 
ATOM   1310 O O   . LEU B 1 76  ? -6.132  14.792 27.243  1.00 27.50 ? 75  LEU B O   1 
ATOM   1311 C CB  . LEU B 1 76  ? -6.769  17.121 29.159  1.00 23.76 ? 75  LEU B CB  1 
ATOM   1312 C CG  . LEU B 1 76  ? -6.744  17.822 30.520  1.00 27.42 ? 75  LEU B CG  1 
ATOM   1313 C CD1 . LEU B 1 76  ? -6.001  19.154 30.444  1.00 29.76 ? 75  LEU B CD1 1 
ATOM   1314 C CD2 . LEU B 1 76  ? -8.157  18.025 31.040  1.00 28.58 ? 75  LEU B CD2 1 
ATOM   1315 N N   . ALA B 1 77  ? -8.290  15.322 26.839  1.00 19.35 ? 76  ALA B N   1 
ATOM   1316 C CA  . ALA B 1 77  ? -8.188  15.340 25.386  1.00 17.32 ? 76  ALA B CA  1 
ATOM   1317 C C   . ALA B 1 77  ? -8.247  16.806 25.009  1.00 15.43 ? 76  ALA B C   1 
ATOM   1318 O O   . ALA B 1 77  ? -8.943  17.583 25.651  1.00 17.29 ? 76  ALA B O   1 
ATOM   1319 C CB  . ALA B 1 77  ? -9.328  14.583 24.732  1.00 19.40 ? 76  ALA B CB  1 
ATOM   1320 N N   . SER B 1 78  ? -7.500  17.188 23.984  1.00 14.39 ? 77  SER B N   1 
ATOM   1321 C CA  . SER B 1 78  ? -7.367  18.592 23.659  1.00 14.18 ? 77  SER B CA  1 
ATOM   1322 C C   . SER B 1 78  ? -7.058  18.826 22.194  1.00 14.03 ? 77  SER B C   1 
ATOM   1323 O O   . SER B 1 78  ? -6.629  17.927 21.467  1.00 14.75 ? 77  SER B O   1 
ATOM   1324 C CB  . SER B 1 78  ? -6.281  19.237 24.521  1.00 17.15 ? 77  SER B CB  1 
ATOM   1325 O OG  . SER B 1 78  ? -5.012  18.695 24.220  1.00 19.51 ? 77  SER B OG  1 
ATOM   1326 N N   . GLY B 1 79  ? -7.284  20.063 21.784  1.00 13.45 ? 78  GLY B N   1 
ATOM   1327 C CA  . GLY B 1 79  ? -6.936  20.513 20.448  1.00 12.11 ? 78  GLY B CA  1 
ATOM   1328 C C   . GLY B 1 79  ? -6.929  22.024 20.381  1.00 11.10 ? 78  GLY B C   1 
ATOM   1329 O O   . GLY B 1 79  ? -7.669  22.686 21.100  1.00 13.13 ? 78  GLY B O   1 
ATOM   1330 N N   . VAL B 1 80  ? -6.073  22.564 19.529  1.00 11.75 ? 79  VAL B N   1 
ATOM   1331 C CA  . VAL B 1 80  ? -6.001  24.006 19.333  1.00 11.24 ? 79  VAL B CA  1 
ATOM   1332 C C   . VAL B 1 80  ? -7.144  24.466 18.424  1.00 10.74 ? 79  VAL B C   1 
ATOM   1333 O O   . VAL B 1 80  ? -7.477  23.810 17.431  1.00 11.78 ? 79  VAL B O   1 
ATOM   1334 C CB  . VAL B 1 80  ? -4.644  24.415 18.735  1.00 12.83 ? 79  VAL B CB  1 
ATOM   1335 C CG1 . VAL B 1 80  ? -4.550  25.925 18.583  1.00 13.53 ? 79  VAL B CG1 1 
ATOM   1336 C CG2 . VAL B 1 80  ? -3.504  23.866 19.591  1.00 16.24 ? 79  VAL B CG2 1 
ATOM   1337 N N   . ILE B 1 81  ? -7.752  25.584 18.798  1.00 9.23  ? 80  ILE B N   1 
ATOM   1338 C CA  . ILE B 1 81  ? -8.807  26.194 18.015  1.00 9.58  ? 80  ILE B CA  1 
ATOM   1339 C C   . ILE B 1 81  ? -8.172  26.890 16.812  1.00 9.79  ? 80  ILE B C   1 
ATOM   1340 O O   . ILE B 1 81  ? -7.525  27.936 16.947  1.00 11.72 ? 80  ILE B O   1 
ATOM   1341 C CB  . ILE B 1 81  ? -9.632  27.197 18.848  1.00 10.11 ? 80  ILE B CB  1 
ATOM   1342 C CG1 . ILE B 1 81  ? -10.279 26.478 20.033  1.00 9.38  ? 80  ILE B CG1 1 
ATOM   1343 C CG2 . ILE B 1 81  ? -10.680 27.888 17.985  1.00 11.22 ? 80  ILE B CG2 1 
ATOM   1344 C CD1 . ILE B 1 81  ? -10.866 27.382 21.095  1.00 11.14 ? 80  ILE B CD1 1 
ATOM   1345 N N   . GLY B 1 82  ? -8.355  26.293 15.640  1.00 9.74  ? 81  GLY B N   1 
ATOM   1346 C CA  . GLY B 1 82  ? -7.730  26.792 14.421  1.00 9.96  ? 81  GLY B CA  1 
ATOM   1347 C C   . GLY B 1 82  ? -8.719  27.491 13.512  1.00 10.07 ? 81  GLY B C   1 
ATOM   1348 O O   . GLY B 1 82  ? -9.882  27.094 13.427  1.00 12.26 ? 81  GLY B O   1 
ATOM   1349 N N   . ILE B 1 83  ? -8.254  28.526 12.819  1.00 11.66 ? 82  ILE B N   1 
ATOM   1350 C CA  . ILE B 1 83  ? -9.110  29.296 11.930  1.00 13.78 ? 82  ILE B CA  1 
ATOM   1351 C C   . ILE B 1 83  ? -9.542  28.444 10.735  1.00 14.63 ? 82  ILE B C   1 
ATOM   1352 O O   . ILE B 1 83  ? -8.783  27.598 10.244  1.00 15.67 ? 82  ILE B O   1 
ATOM   1353 C CB  . ILE B 1 83  ? -8.418  30.618 11.473  1.00 16.76 ? 82  ILE B CB  1 
ATOM   1354 C CG1 . ILE B 1 83  ? -9.435  31.603 10.883  1.00 21.26 ? 82  ILE B CG1 1 
ATOM   1355 C CG2 . ILE B 1 83  ? -7.285  30.341 10.504  1.00 19.14 ? 82  ILE B CG2 1 
ATOM   1356 C CD1 . ILE B 1 83  ? -10.333 32.254 11.910  1.00 28.04 ? 82  ILE B CD1 1 
ATOM   1357 N N   . ALA B 1 84  ? -10.785 28.643 10.318  1.00 13.71 ? 83  ALA B N   1 
ATOM   1358 C CA  . ALA B 1 84  ? -11.323 28.046 9.103   1.00 15.86 ? 83  ALA B CA  1 
ATOM   1359 C C   . ALA B 1 84  ? -11.776 29.164 8.174   1.00 16.93 ? 83  ALA B C   1 
ATOM   1360 O O   . ALA B 1 84  ? -12.198 30.220 8.635   1.00 18.76 ? 83  ALA B O   1 
ATOM   1361 C CB  . ALA B 1 84  ? -12.491 27.138 9.449   1.00 17.81 ? 83  ALA B CB  1 
ATOM   1362 N N   A GLN B 1 85  ? -11.684 28.932 6.867   0.50 17.66 ? 84  GLN B N   1 
ATOM   1363 N N   B GLN B 1 85  ? -11.684 28.932 6.868   0.50 17.87 ? 84  GLN B N   1 
ATOM   1364 C CA  A GLN B 1 85  ? -12.157 29.913 5.887   0.50 20.07 ? 84  GLN B CA  1 
ATOM   1365 C CA  B GLN B 1 85  ? -12.163 29.903 5.881   0.50 20.13 ? 84  GLN B CA  1 
ATOM   1366 C C   A GLN B 1 85  ? -13.668 30.158 6.008   0.50 20.35 ? 84  GLN B C   1 
ATOM   1367 C C   B GLN B 1 85  ? -13.671 30.157 6.011   0.50 20.29 ? 84  GLN B C   1 
ATOM   1368 O O   A GLN B 1 85  ? -14.461 29.218 6.062   0.50 21.46 ? 84  GLN B O   1 
ATOM   1369 O O   B GLN B 1 85  ? -14.468 29.219 6.078   0.50 21.37 ? 84  GLN B O   1 
ATOM   1370 C CB  A GLN B 1 85  ? -11.816 29.466 4.462   0.50 20.37 ? 84  GLN B CB  1 
ATOM   1371 C CB  B GLN B 1 85  ? -11.835 29.425 4.464   0.50 21.05 ? 84  GLN B CB  1 
ATOM   1372 C CG  A GLN B 1 85  ? -12.202 30.489 3.407   0.50 23.25 ? 84  GLN B CG  1 
ATOM   1373 C CG  B GLN B 1 85  ? -12.346 30.346 3.369   0.50 24.13 ? 84  GLN B CG  1 
ATOM   1374 C CD  A GLN B 1 85  ? -11.400 31.770 3.511   0.50 24.29 ? 84  GLN B CD  1 
ATOM   1375 C CD  B GLN B 1 85  ? -11.831 29.952 2.001   0.50 24.78 ? 84  GLN B CD  1 
ATOM   1376 O OE1 A GLN B 1 85  ? -11.953 32.850 3.740   0.50 27.51 ? 84  GLN B OE1 1 
ATOM   1377 O OE1 B GLN B 1 85  ? -10.699 30.256 1.647   0.50 25.89 ? 84  GLN B OE1 1 
ATOM   1378 N NE2 A GLN B 1 85  ? -10.088 31.659 3.346   0.50 25.47 ? 84  GLN B NE2 1 
ATOM   1379 N NE2 B GLN B 1 85  ? -12.657 29.268 1.229   0.50 25.46 ? 84  GLN B NE2 1 
ATOM   1380 N N   . ALA B 1 86  ? -14.053 31.431 6.056   1.00 21.23 ? 85  ALA B N   1 
ATOM   1381 C CA  . ALA B 1 86  ? -15.463 31.819 6.106   1.00 24.57 ? 85  ALA B CA  1 
ATOM   1382 C C   . ALA B 1 86  ? -15.753 32.881 5.046   1.00 26.93 ? 85  ALA B C   1 
ATOM   1383 O O   . ALA B 1 86  ? -14.838 33.386 4.395   1.00 31.78 ? 85  ALA B O   1 
ATOM   1384 C CB  . ALA B 1 86  ? -15.815 32.337 7.488   1.00 26.55 ? 85  ALA B CB  1 
ATOM   1385 N N   . GLY B 1 87  ? -17.031 33.205 4.877   1.00 30.86 ? 86  GLY B N   1 
ATOM   1386 C CA  . GLY B 1 87  ? -17.447 34.317 4.024   1.00 35.60 ? 86  GLY B CA  1 
ATOM   1387 C C   . GLY B 1 87  ? -17.190 35.663 4.683   1.00 36.44 ? 86  GLY B C   1 
ATOM   1388 O O   . GLY B 1 87  ? -16.765 35.727 5.841   1.00 36.39 ? 86  GLY B O   1 
ATOM   1389 N N   . ALA B 1 88  ? -17.469 36.740 3.950   1.00 41.01 ? 87  ALA B N   1 
ATOM   1390 C CA  . ALA B 1 88  ? -17.159 38.103 4.401   1.00 41.57 ? 87  ALA B CA  1 
ATOM   1391 C C   . ALA B 1 88  ? -17.807 38.440 5.745   1.00 46.19 ? 87  ALA B C   1 
ATOM   1392 O O   . ALA B 1 88  ? -17.192 39.093 6.592   1.00 52.93 ? 87  ALA B O   1 
ATOM   1393 C CB  . ALA B 1 88  ? -17.577 39.119 3.339   1.00 43.20 ? 87  ALA B CB  1 
ATOM   1394 N N   . GLY B 1 89  ? -19.039 37.975 5.941   1.00 44.83 ? 88  GLY B N   1 
ATOM   1395 C CA  . GLY B 1 89  ? -19.800 38.282 7.149   1.00 56.56 ? 88  GLY B CA  1 
ATOM   1396 C C   . GLY B 1 89  ? -19.697 37.271 8.278   1.00 52.29 ? 88  GLY B C   1 
ATOM   1397 O O   . GLY B 1 89  ? -20.632 37.153 9.079   1.00 47.01 ? 88  GLY B O   1 
ATOM   1398 N N   . ALA B 1 90  ? -18.575 36.553 8.373   1.00 45.48 ? 89  ALA B N   1 
ATOM   1399 C CA  . ALA B 1 90  ? -18.426 35.544 9.420   1.00 35.81 ? 89  ALA B CA  1 
ATOM   1400 C C   . ALA B 1 90  ? -16.984 35.173 9.761   1.00 25.13 ? 89  ALA B C   1 
ATOM   1401 O O   . ALA B 1 90  ? -16.046 35.416 8.992   1.00 27.57 ? 89  ALA B O   1 
ATOM   1402 C CB  . ALA B 1 90  ? -19.201 34.288 9.045   1.00 40.03 ? 89  ALA B CB  1 
ATOM   1403 N N   . THR B 1 91  ? -16.835 34.568 10.936  1.00 17.80 ? 90  THR B N   1 
ATOM   1404 C CA  . THR B 1 91  ? -15.601 33.913 11.341  1.00 16.93 ? 90  THR B CA  1 
ATOM   1405 C C   . THR B 1 91  ? -15.941 32.493 11.762  1.00 13.62 ? 90  THR B C   1 
ATOM   1406 O O   . THR B 1 91  ? -16.957 32.250 12.423  1.00 14.55 ? 90  THR B O   1 
ATOM   1407 C CB  . THR B 1 91  ? -14.948 34.649 12.523  1.00 19.99 ? 90  THR B CB  1 
ATOM   1408 O OG1 . THR B 1 91  ? -14.867 36.045 12.218  1.00 23.11 ? 90  THR B OG1 1 
ATOM   1409 C CG2 . THR B 1 91  ? -13.554 34.108 12.818  1.00 21.98 ? 90  THR B CG2 1 
ATOM   1410 N N   . LYS B 1 92  ? -15.097 31.553 11.359  1.00 13.27 ? 91  LYS B N   1 
ATOM   1411 C CA  . LYS B 1 92  ? -15.265 30.156 11.726  1.00 12.95 ? 91  LYS B CA  1 
ATOM   1412 C C   . LYS B 1 92  ? -13.945 29.578 12.215  1.00 12.15 ? 91  LYS B C   1 
ATOM   1413 O O   . LYS B 1 92  ? -12.878 30.008 11.807  1.00 14.55 ? 91  LYS B O   1 
ATOM   1414 C CB  . LYS B 1 92  ? -15.767 29.348 10.534  1.00 14.87 ? 91  LYS B CB  1 
ATOM   1415 C CG  . LYS B 1 92  ? -17.121 29.793 10.014  1.00 16.20 ? 91  LYS B CG  1 
ATOM   1416 C CD  . LYS B 1 92  ? -17.580 28.956 8.832   1.00 20.18 ? 91  LYS B CD  1 
ATOM   1417 C CE  . LYS B 1 92  ? -18.661 29.655 8.030   1.00 30.09 ? 91  LYS B CE  1 
ATOM   1418 N NZ  . LYS B 1 92  ? -19.851 29.930 8.871   1.00 31.61 ? 91  LYS B NZ  1 
ATOM   1419 N N   . ALA B 1 93  ? -14.045 28.580 13.075  1.00 11.53 ? 92  ALA B N   1 
ATOM   1420 C CA  . ALA B 1 93  ? -12.883 27.889 13.592  1.00 11.56 ? 92  ALA B CA  1 
ATOM   1421 C C   . ALA B 1 93  ? -13.245 26.464 13.932  1.00 11.93 ? 92  ALA B C   1 
ATOM   1422 O O   . ALA B 1 93  ? -14.421 26.131 14.072  1.00 12.48 ? 92  ALA B O   1 
ATOM   1423 C CB  . ALA B 1 93  ? -12.347 28.602 14.815  1.00 11.12 ? 92  ALA B CB  1 
ATOM   1424 N N   . VAL B 1 94  ? -12.214 25.635 14.074  1.00 10.88 ? 93  VAL B N   1 
ATOM   1425 C CA  . VAL B 1 94  ? -12.390 24.212 14.326  1.00 10.92 ? 93  VAL B CA  1 
ATOM   1426 C C   . VAL B 1 94  ? -11.297 23.731 15.271  1.00 10.46 ? 93  VAL B C   1 
ATOM   1427 O O   . VAL B 1 94  ? -10.118 24.062 15.089  1.00 11.24 ? 93  VAL B O   1 
ATOM   1428 C CB  . VAL B 1 94  ? -12.317 23.392 13.016  1.00 13.24 ? 93  VAL B CB  1 
ATOM   1429 C CG1 . VAL B 1 94  ? -12.568 21.912 13.286  1.00 14.14 ? 93  VAL B CG1 1 
ATOM   1430 C CG2 . VAL B 1 94  ? -13.301 23.922 11.990  1.00 15.59 ? 93  VAL B CG2 1 
ATOM   1431 N N   . ALA B 1 95  ? -11.682 22.952 16.273  1.00 10.57 ? 94  ALA B N   1 
ATOM   1432 C CA  . ALA B 1 95  ? -10.714 22.254 17.123  1.00 10.72 ? 94  ALA B CA  1 
ATOM   1433 C C   . ALA B 1 95  ? -10.858 20.758 16.937  1.00 11.36 ? 94  ALA B C   1 
ATOM   1434 O O   . ALA B 1 95  ? -11.960 20.208 17.086  1.00 12.43 ? 94  ALA B O   1 
ATOM   1435 C CB  . ALA B 1 95  ? -10.916 22.615 18.587  1.00 10.76 ? 94  ALA B CB  1 
ATOM   1436 N N   . VAL B 1 96  ? -9.745  20.109 16.600  1.00 11.52 ? 95  VAL B N   1 
ATOM   1437 C CA  . VAL B 1 96  ? -9.700  18.663 16.512  1.00 13.24 ? 95  VAL B CA  1 
ATOM   1438 C C   . VAL B 1 96  ? -9.179  18.156 17.842  1.00 13.05 ? 95  VAL B C   1 
ATOM   1439 O O   . VAL B 1 96  ? -8.028  18.419 18.209  1.00 14.53 ? 95  VAL B O   1 
ATOM   1440 C CB  . VAL B 1 96  ? -8.778  18.197 15.378  1.00 14.24 ? 95  VAL B CB  1 
ATOM   1441 C CG1 . VAL B 1 96  ? -8.749  16.675 15.304  1.00 15.81 ? 95  VAL B CG1 1 
ATOM   1442 C CG2 . VAL B 1 96  ? -9.244  18.780 14.061  1.00 13.49 ? 95  VAL B CG2 1 
ATOM   1443 N N   . LEU B 1 97  ? -10.030 17.448 18.580  1.00 14.48 ? 96  LEU B N   1 
ATOM   1444 C CA  . LEU B 1 97  ? -9.666  16.978 19.904  1.00 15.68 ? 96  LEU B CA  1 
ATOM   1445 C C   . LEU B 1 97  ? -9.055  15.597 19.805  1.00 15.80 ? 96  LEU B C   1 
ATOM   1446 O O   . LEU B 1 97  ? -9.608  14.712 19.153  1.00 18.16 ? 96  LEU B O   1 
ATOM   1447 C CB  . LEU B 1 97  ? -10.885 16.951 20.821  1.00 15.97 ? 96  LEU B CB  1 
ATOM   1448 C CG  . LEU B 1 97  ? -11.612 18.272 21.059  1.00 17.32 ? 96  LEU B CG  1 
ATOM   1449 C CD1 . LEU B 1 97  ? -12.912 18.029 21.819  1.00 21.05 ? 96  LEU B CD1 1 
ATOM   1450 C CD2 . LEU B 1 97  ? -10.723 19.239 21.826  1.00 21.99 ? 96  LEU B CD2 1 
ATOM   1451 N N   . LYS B 1 98  ? -7.910  15.425 20.453  1.00 16.66 ? 97  LYS B N   1 
ATOM   1452 C CA  . LYS B 1 98  ? -7.237  14.143 20.507  1.00 18.64 ? 97  LYS B CA  1 
ATOM   1453 C C   . LYS B 1 98  ? -6.773  13.908 21.929  1.00 21.10 ? 97  LYS B C   1 
ATOM   1454 O O   . LYS B 1 98  ? -6.311  14.823 22.618  1.00 19.38 ? 97  LYS B O   1 
ATOM   1455 C CB  . LYS B 1 98  ? -6.049  14.118 19.539  1.00 20.92 ? 97  LYS B CB  1 
ATOM   1456 C CG  . LYS B 1 98  ? -5.254  12.811 19.515  1.00 31.18 ? 97  LYS B CG  1 
ATOM   1457 C CD  . LYS B 1 98  ? -5.973  11.715 18.736  1.00 37.92 ? 97  LYS B CD  1 
ATOM   1458 C CE  . LYS B 1 98  ? -5.196  10.405 18.744  1.00 43.65 ? 97  LYS B CE  1 
ATOM   1459 N NZ  . LYS B 1 98  ? -5.233  9.746  20.078  1.00 49.35 ? 97  LYS B NZ  1 
ATOM   1460 N N   . GLY B 1 99  ? -6.897  12.661 22.365  1.00 26.89 ? 98  GLY B N   1 
ATOM   1461 C CA  . GLY B 1 99  ? -6.492  12.285 23.710  1.00 32.01 ? 98  GLY B CA  1 
ATOM   1462 C C   . GLY B 1 99  ? -6.125  10.823 23.750  1.00 38.31 ? 98  GLY B C   1 
ATOM   1463 O O   . GLY B 1 99  ? -5.637  10.269 22.757  1.00 39.81 ? 98  GLY B O   1 
ATOM   1464 N N   . ASP B 1 100 ? -6.383  10.192 24.891  1.00 42.70 ? 99  ASP B N   1 
ATOM   1465 C CA  . ASP B 1 100 ? -5.966  8.808  25.116  1.00 35.66 ? 99  ASP B CA  1 
ATOM   1466 C C   . ASP B 1 100 ? -6.984  7.817  24.586  1.00 39.24 ? 99  ASP B C   1 
ATOM   1467 O O   . ASP B 1 100 ? -8.194  8.088  24.560  1.00 47.16 ? 99  ASP B O   1 
ATOM   1468 C CB  . ASP B 1 100 ? -5.749  8.547  26.604  1.00 43.24 ? 99  ASP B CB  1 
ATOM   1469 C CG  . ASP B 1 100 ? -4.858  9.585  27.252  1.00 48.74 ? 99  ASP B CG  1 
ATOM   1470 O OD1 . ASP B 1 100 ? -3.693  9.730  26.812  1.00 53.84 ? 99  ASP B OD1 1 
ATOM   1471 O OD2 . ASP B 1 100 ? -5.324  10.251 28.204  1.00 57.31 ? 99  ASP B OD2 1 
ATOM   1472 N N   . GLY B 1 101 ? -6.474  6.660  24.183  1.00 42.12 ? 100 GLY B N   1 
ATOM   1473 C CA  . GLY B 1 101 ? -7.294  5.601  23.628  1.00 47.86 ? 100 GLY B CA  1 
ATOM   1474 C C   . GLY B 1 101 ? -8.276  6.160  22.619  1.00 45.30 ? 100 GLY B C   1 
ATOM   1475 O O   . GLY B 1 101 ? -7.864  6.801  21.644  1.00 51.50 ? 100 GLY B O   1 
ATOM   1476 N N   . PRO B 1 102 ? -9.583  5.969  22.865  1.00 46.24 ? 101 PRO B N   1 
ATOM   1477 C CA  . PRO B 1 102 ? -10.513 6.248  21.793  1.00 41.40 ? 101 PRO B CA  1 
ATOM   1478 C C   . PRO B 1 102 ? -11.031 7.690  21.763  1.00 31.42 ? 101 PRO B C   1 
ATOM   1479 O O   . PRO B 1 102 ? -11.817 8.013  20.876  1.00 35.80 ? 101 PRO B O   1 
ATOM   1480 C CB  . PRO B 1 102 ? -11.657 5.270  22.093  1.00 50.07 ? 101 PRO B CB  1 
ATOM   1481 C CG  . PRO B 1 102 ? -11.632 5.097  23.587  1.00 53.28 ? 101 PRO B CG  1 
ATOM   1482 C CD  . PRO B 1 102 ? -10.302 5.598  24.099  1.00 42.19 ? 101 PRO B CD  1 
ATOM   1483 N N   . VAL B 1 103 ? -10.590 8.546  22.691  1.00 32.54 ? 102 VAL B N   1 
ATOM   1484 C CA  . VAL B 1 103 ? -11.179 9.886  22.821  1.00 27.39 ? 102 VAL B CA  1 
ATOM   1485 C C   . VAL B 1 103 ? -10.728 10.812 21.698  1.00 26.08 ? 102 VAL B C   1 
ATOM   1486 O O   . VAL B 1 103 ? -9.546  11.121 21.553  1.00 27.09 ? 102 VAL B O   1 
ATOM   1487 C CB  . VAL B 1 103 ? -10.896 10.565 24.174  1.00 30.58 ? 102 VAL B CB  1 
ATOM   1488 C CG1 . VAL B 1 103 ? -11.549 11.942 24.203  1.00 26.16 ? 102 VAL B CG1 1 
ATOM   1489 C CG2 . VAL B 1 103 ? -11.431 9.720  25.319  1.00 33.45 ? 102 VAL B CG2 1 
ATOM   1490 N N   . GLN B 1 104 ? -11.692 11.248 20.905  1.00 20.45 ? 103 GLN B N   1 
ATOM   1491 C CA  . GLN B 1 104 ? -11.413 12.147 19.812  1.00 19.85 ? 103 GLN B CA  1 
ATOM   1492 C C   . GLN B 1 104 ? -12.689 12.824 19.392  1.00 18.24 ? 103 GLN B C   1 
ATOM   1493 O O   . GLN B 1 104 ? -13.783 12.296 19.601  1.00 18.96 ? 103 GLN B O   1 
ATOM   1494 C CB  . GLN B 1 104 ? -10.776 11.411 18.635  1.00 23.62 ? 103 GLN B CB  1 
ATOM   1495 C CG  . GLN B 1 104 ? -11.614 10.284 18.064  1.00 25.98 ? 103 GLN B CG  1 
ATOM   1496 C CD  . GLN B 1 104 ? -10.792 9.344  17.202  0.30 31.47 ? 103 GLN B CD  1 
ATOM   1497 O OE1 . GLN B 1 104 ? -9.788  9.747  16.619  0.48 33.99 ? 103 GLN B OE1 1 
ATOM   1498 N NE2 . GLN B 1 104 ? -11.208 8.084  17.123  0.77 37.20 ? 103 GLN B NE2 1 
ATOM   1499 N N   . GLY B 1 105 ? -12.545 14.009 18.815  1.00 17.45 ? 104 GLY B N   1 
ATOM   1500 C CA  . GLY B 1 105 ? -13.703 14.786 18.436  1.00 17.60 ? 104 GLY B CA  1 
ATOM   1501 C C   . GLY B 1 105 ? -13.363 15.939 17.528  1.00 14.81 ? 104 GLY B C   1 
ATOM   1502 O O   . GLY B 1 105 ? -12.189 16.238 17.296  1.00 16.61 ? 104 GLY B O   1 
ATOM   1503 N N   . ILE B 1 106 ? -14.410 16.569 17.011  1.00 14.01 ? 105 ILE B N   1 
ATOM   1504 C CA  . ILE B 1 106 ? -14.297 17.754 16.185  1.00 14.33 ? 105 ILE B CA  1 
ATOM   1505 C C   . ILE B 1 106 ? -15.324 18.744 16.695  1.00 14.13 ? 105 ILE B C   1 
ATOM   1506 O O   . ILE B 1 106 ? -16.515 18.433 16.756  1.00 14.73 ? 105 ILE B O   1 
ATOM   1507 C CB  . ILE B 1 106 ? -14.594 17.476 14.699  1.00 16.38 ? 105 ILE B CB  1 
ATOM   1508 C CG1 . ILE B 1 106 ? -13.714 16.341 14.173  1.00 21.47 ? 105 ILE B CG1 1 
ATOM   1509 C CG2 . ILE B 1 106 ? -14.439 18.758 13.890  1.00 17.28 ? 105 ILE B CG2 1 
ATOM   1510 C CD1 . ILE B 1 106 ? -12.279 16.725 13.946  1.00 26.00 ? 105 ILE B CD1 1 
ATOM   1511 N N   . ILE B 1 107 ? -14.860 19.927 17.070  1.00 12.84 ? 106 ILE B N   1 
ATOM   1512 C CA  . ILE B 1 107 ? -15.732 20.978 17.557  1.00 11.75 ? 106 ILE B CA  1 
ATOM   1513 C C   . ILE B 1 107 ? -15.569 22.215 16.691  1.00 10.84 ? 106 ILE B C   1 
ATOM   1514 O O   . ILE B 1 107 ? -14.456 22.722 16.518  1.00 11.52 ? 106 ILE B O   1 
ATOM   1515 C CB  . ILE B 1 107 ? -15.429 21.344 19.026  1.00 12.34 ? 106 ILE B CB  1 
ATOM   1516 C CG1 . ILE B 1 107 ? -15.645 20.133 19.947  1.00 14.97 ? 106 ILE B CG1 1 
ATOM   1517 C CG2 . ILE B 1 107 ? -16.293 22.515 19.471  1.00 13.95 ? 106 ILE B CG2 1 
ATOM   1518 C CD1 . ILE B 1 107 ? -17.062 19.598 19.995  1.00 17.32 ? 106 ILE B CD1 1 
ATOM   1519 N N   . ASN B 1 108 ? -16.696 22.675 16.164  1.00 10.13 ? 107 ASN B N   1 
ATOM   1520 C CA  . ASN B 1 108 ? -16.779 23.846 15.293  1.00 10.13 ? 107 ASN B CA  1 
ATOM   1521 C C   . ASN B 1 108 ? -17.239 25.069 16.064  1.00 10.56 ? 107 ASN B C   1 
ATOM   1522 O O   . ASN B 1 108 ? -18.065 24.954 16.978  1.00 11.34 ? 107 ASN B O   1 
ATOM   1523 C CB  . ASN B 1 108 ? -17.776 23.552 14.172  1.00 10.04 ? 107 ASN B CB  1 
ATOM   1524 C CG  . ASN B 1 108 ? -17.363 22.350 13.357  1.00 10.00 ? 107 ASN B CG  1 
ATOM   1525 O OD1 . ASN B 1 108 ? -16.263 22.324 12.813  1.00 12.36 ? 107 ASN B OD1 1 
ATOM   1526 N ND2 . ASN B 1 108 ? -18.208 21.333 13.309  1.00 12.53 ? 107 ASN B ND2 1 
ATOM   1527 N N   . PHE B 1 109 ? -16.717 26.228 15.671  1.00 11.09 ? 108 PHE B N   1 
ATOM   1528 C CA  . PHE B 1 109 ? -17.078 27.516 16.249  1.00 11.77 ? 108 PHE B CA  1 
ATOM   1529 C C   . PHE B 1 109 ? -17.448 28.445 15.111  1.00 11.78 ? 108 PHE B C   1 
ATOM   1530 O O   . PHE B 1 109 ? -16.735 28.498 14.105  1.00 12.13 ? 108 PHE B O   1 
ATOM   1531 C CB  . PHE B 1 109 ? -15.896 28.147 16.990  1.00 11.78 ? 108 PHE B CB  1 
ATOM   1532 C CG  . PHE B 1 109 ? -15.378 27.344 18.141  1.00 11.30 ? 108 PHE B CG  1 
ATOM   1533 C CD1 . PHE B 1 109 ? -14.549 26.250 17.928  1.00 12.14 ? 108 PHE B CD1 1 
ATOM   1534 C CD2 . PHE B 1 109 ? -15.675 27.710 19.441  1.00 11.25 ? 108 PHE B CD2 1 
ATOM   1535 C CE1 . PHE B 1 109 ? -14.047 25.520 18.990  1.00 12.37 ? 108 PHE B CE1 1 
ATOM   1536 C CE2 . PHE B 1 109 ? -15.171 26.979 20.514  1.00 12.84 ? 108 PHE B CE2 1 
ATOM   1537 C CZ  . PHE B 1 109 ? -14.368 25.881 20.284  1.00 13.96 ? 108 PHE B CZ  1 
ATOM   1538 N N   . GLU B 1 110 ? -18.550 29.183 15.268  1.00 12.50 ? 109 GLU B N   1 
ATOM   1539 C CA  . GLU B 1 110 ? -18.980 30.137 14.243  1.00 12.54 ? 109 GLU B CA  1 
ATOM   1540 C C   . GLU B 1 110 ? -19.512 31.415 14.869  1.00 12.97 ? 109 GLU B C   1 
ATOM   1541 O O   . GLU B 1 110 ? -20.239 31.367 15.854  1.00 14.73 ? 109 GLU B O   1 
ATOM   1542 C CB  . GLU B 1 110 ? -20.053 29.526 13.362  1.00 14.12 ? 109 GLU B CB  1 
ATOM   1543 C CG  . GLU B 1 110 ? -19.639 28.210 12.751  1.00 18.20 ? 109 GLU B CG  1 
ATOM   1544 C CD  . GLU B 1 110 ? -20.677 27.639 11.838  1.00 22.40 ? 109 GLU B CD  1 
ATOM   1545 O OE1 . GLU B 1 110 ? -21.264 28.392 11.015  1.00 26.62 ? 109 GLU B OE1 1 
ATOM   1546 O OE2 . GLU B 1 110 ? -20.899 26.424 11.952  1.00 25.87 ? 109 GLU B OE2 1 
ATOM   1547 N N   . GLN B 1 111 ? -19.141 32.549 14.273  1.00 12.32 ? 110 GLN B N   1 
ATOM   1548 C CA  . GLN B 1 111 ? -19.553 33.864 14.752  1.00 12.52 ? 110 GLN B CA  1 
ATOM   1549 C C   . GLN B 1 111 ? -19.858 34.808 13.592  1.00 16.26 ? 110 GLN B C   1 
ATOM   1550 O O   . GLN B 1 111 ? -19.024 34.992 12.701  1.00 17.06 ? 110 GLN B O   1 
ATOM   1551 C CB  . GLN B 1 111 ? -18.436 34.457 15.600  1.00 12.96 ? 110 GLN B CB  1 
ATOM   1552 C CG  . GLN B 1 111 ? -18.764 35.763 16.303  1.00 13.09 ? 110 GLN B CG  1 
ATOM   1553 C CD  . GLN B 1 111 ? -17.598 36.264 17.139  1.00 14.53 ? 110 GLN B CD  1 
ATOM   1554 O OE1 . GLN B 1 111 ? -16.430 36.050 16.790  1.00 15.57 ? 110 GLN B OE1 1 
ATOM   1555 N NE2 . GLN B 1 111 ? -17.905 36.941 18.246  1.00 15.56 ? 110 GLN B NE2 1 
ATOM   1556 N N   . LYS B 1 112 ? -21.048 35.410 13.612  1.00 18.84 ? 111 LYS B N   1 
ATOM   1557 C CA  . LYS B 1 112 ? -21.423 36.393 12.586  1.00 24.60 ? 111 LYS B CA  1 
ATOM   1558 C C   . LYS B 1 112 ? -20.633 37.686 12.816  1.00 27.62 ? 111 LYS B C   1 
ATOM   1559 O O   . LYS B 1 112 ? -20.327 38.021 13.957  1.00 28.01 ? 111 LYS B O   1 
ATOM   1560 C CB  . LYS B 1 112 ? -22.941 36.650 12.637  1.00 28.86 ? 111 LYS B CB  1 
ATOM   1561 C CG  . LYS B 1 112 ? -23.439 37.889 11.886  1.00 39.48 ? 111 LYS B CG  1 
ATOM   1562 C CD  . LYS B 1 112 ? -24.967 37.962 11.848  1.00 53.34 ? 111 LYS B CD  1 
ATOM   1563 C CE  . LYS B 1 112 ? -25.546 37.497 10.512  1.00 60.88 ? 111 LYS B CE  1 
ATOM   1564 N NZ  . LYS B 1 112 ? -27.039 37.455 10.501  1.00 57.26 ? 111 LYS B NZ  1 
ATOM   1565 N N   . GLU B 1 113 ? -20.293 38.401 11.742  1.00 35.64 ? 112 GLU B N   1 
ATOM   1566 C CA  . GLU B 1 113 ? -19.619 39.703 11.861  1.00 41.59 ? 112 GLU B CA  1 
ATOM   1567 C C   . GLU B 1 113 ? -20.639 40.815 12.101  1.00 46.71 ? 112 GLU B C   1 
ATOM   1568 O O   . GLU B 1 113 ? -21.761 40.762 11.591  1.00 56.87 ? 112 GLU B O   1 
ATOM   1569 C CB  . GLU B 1 113 ? -18.785 40.020 10.615  1.00 51.67 ? 112 GLU B CB  1 
ATOM   1570 C CG  . GLU B 1 113 ? -17.650 39.041 10.356  1.00 52.65 ? 112 GLU B CG  1 
ATOM   1571 C CD  . GLU B 1 113 ? -16.663 38.962 11.501  1.00 66.41 ? 112 GLU B CD  1 
ATOM   1572 O OE1 . GLU B 1 113 ? -15.910 39.938 11.712  1.00 87.92 ? 112 GLU B OE1 1 
ATOM   1573 O OE2 . GLU B 1 113 ? -16.641 37.917 12.186  1.00 63.47 ? 112 GLU B OE2 1 
ATOM   1574 N N   . SER B 1 114 ? -20.239 41.821 12.875  1.00 51.77 ? 113 SER B N   1 
ATOM   1575 C CA  . SER B 1 114 ? -21.149 42.890 13.287  1.00 58.23 ? 113 SER B CA  1 
ATOM   1576 C C   . SER B 1 114 ? -20.375 44.077 13.842  1.00 66.76 ? 113 SER B C   1 
ATOM   1577 O O   . SER B 1 114 ? -19.283 44.387 13.367  1.00 62.07 ? 113 SER B O   1 
ATOM   1578 C CB  . SER B 1 114 ? -22.137 42.372 14.341  1.00 75.60 ? 113 SER B CB  1 
ATOM   1579 O OG  . SER B 1 114 ? -23.091 41.484 13.774  1.00 74.63 ? 113 SER B OG  1 
HETATM 1580 O O   . HOH C 2 .   ? -13.802 7.134  -10.176 1.00 26.92 ? 201 HOH A O   1 
HETATM 1581 O O   . HOH C 2 .   ? -22.039 10.632 -8.346  1.00 24.14 ? 202 HOH A O   1 
HETATM 1582 O O   . HOH C 2 .   ? -11.751 17.630 -11.259 1.00 18.04 ? 203 HOH A O   1 
HETATM 1583 O O   . HOH C 2 .   ? -28.127 15.716 -5.390  1.00 26.52 ? 204 HOH A O   1 
HETATM 1584 O O   . HOH C 2 .   ? -31.432 19.837 -2.325  1.00 22.96 ? 205 HOH A O   1 
HETATM 1585 O O   . HOH C 2 .   ? -14.361 9.360  -15.969 1.00 39.78 ? 206 HOH A O   1 
HETATM 1586 O O   . HOH C 2 .   ? -18.443 20.656 -11.198 1.00 18.86 ? 207 HOH A O   1 
HETATM 1587 O O   . HOH C 2 .   ? -9.424  28.024 -8.692  1.00 42.67 ? 208 HOH A O   1 
HETATM 1588 O O   . HOH C 2 .   ? -33.804 15.724 5.240   1.00 33.21 ? 209 HOH A O   1 
HETATM 1589 O O   . HOH C 2 .   ? -6.118  14.419 -5.793  1.00 16.86 ? 210 HOH A O   1 
HETATM 1590 O O   . HOH C 2 .   ? -11.839 25.710 -2.828  1.00 17.00 ? 211 HOH A O   1 
HETATM 1591 O O   . HOH C 2 .   ? -2.203  27.889 1.180   1.00 27.87 ? 212 HOH A O   1 
HETATM 1592 O O   . HOH C 2 .   ? -19.781 11.120 6.444   1.00 13.15 ? 213 HOH A O   1 
HETATM 1593 O O   . HOH C 2 .   ? -29.409 19.341 12.408  1.00 21.27 ? 214 HOH A O   1 
HETATM 1594 O O   . HOH C 2 .   ? -16.619 8.493  4.487   1.00 25.57 ? 215 HOH A O   1 
HETATM 1595 O O   . HOH C 2 .   ? -17.440 19.045 11.552  1.00 13.13 ? 216 HOH A O   1 
HETATM 1596 O O   . HOH C 2 .   ? -31.691 26.477 -0.383  1.00 36.40 ? 217 HOH A O   1 
HETATM 1597 O O   . HOH C 2 .   ? -29.205 29.401 6.119   1.00 25.68 ? 218 HOH A O   1 
HETATM 1598 O O   . HOH C 2 .   ? -11.066 6.385  -4.328  1.00 34.90 ? 219 HOH A O   1 
HETATM 1599 O O   . HOH C 2 .   ? -7.596  25.119 6.364   1.00 25.90 ? 220 HOH A O   1 
HETATM 1600 O O   . HOH C 2 .   ? -23.745 18.814 16.955  1.00 37.01 ? 221 HOH A O   1 
HETATM 1601 O O   . HOH C 2 .   ? 1.937   20.822 -6.777  1.00 45.53 ? 222 HOH A O   1 
HETATM 1602 O O   . HOH C 2 .   ? -11.989 15.076 -13.279 1.00 39.83 ? 223 HOH A O   1 
HETATM 1603 O O   . HOH C 2 .   ? -8.628  26.592 -1.349  1.00 17.05 ? 224 HOH A O   1 
HETATM 1604 O O   . HOH C 2 .   ? -4.628  15.470 -10.637 1.00 24.32 ? 225 HOH A O   1 
HETATM 1605 O O   . HOH C 2 .   ? -4.065  26.121 -6.497  1.00 26.45 ? 226 HOH A O   1 
HETATM 1606 O O   . HOH C 2 .   ? -4.175  12.825 -4.357  1.00 27.87 ? 227 HOH A O   1 
HETATM 1607 O O   . HOH C 2 .   ? -12.720 26.466 -6.372  1.00 21.29 ? 228 HOH A O   1 
HETATM 1608 O O   . HOH C 2 .   ? -22.596 25.689 -5.157  1.00 22.74 ? 229 HOH A O   1 
HETATM 1609 O O   . HOH C 2 .   ? -18.988 7.466  0.367   1.00 26.68 ? 230 HOH A O   1 
HETATM 1610 O O   . HOH C 2 .   ? -25.782 8.127  -0.381  1.00 18.05 ? 231 HOH A O   1 
HETATM 1611 O O   . HOH C 2 .   ? -24.508 15.747 -9.199  1.00 34.15 ? 232 HOH A O   1 
HETATM 1612 O O   . HOH C 2 .   ? -7.088  9.200  3.214   1.00 28.50 ? 233 HOH A O   1 
HETATM 1613 O O   . HOH C 2 .   ? -20.883 31.051 -2.398  1.00 31.05 ? 234 HOH A O   1 
HETATM 1614 O O   . HOH C 2 .   ? -31.789 11.004 1.137   1.00 38.36 ? 235 HOH A O   1 
HETATM 1615 O O   . HOH C 2 .   ? -21.508 6.488  -0.725  1.00 32.76 ? 236 HOH A O   1 
HETATM 1616 O O   . HOH C 2 .   ? -1.831  18.982 -10.268 1.00 30.51 ? 237 HOH A O   1 
HETATM 1617 O O   . HOH C 2 .   ? 0.766   26.879 0.963   1.00 37.92 ? 238 HOH A O   1 
HETATM 1618 O O   . HOH C 2 .   ? -32.980 12.874 3.068   1.00 44.44 ? 239 HOH A O   1 
HETATM 1619 O O   . HOH C 2 .   ? -10.712 21.561 8.609   1.00 42.07 ? 240 HOH A O   1 
HETATM 1620 O O   . HOH C 2 .   ? -32.234 12.165 -1.414  1.00 35.18 ? 241 HOH A O   1 
HETATM 1621 O O   . HOH C 2 .   ? -33.564 17.953 7.898   1.00 41.40 ? 242 HOH A O   1 
HETATM 1622 O O   . HOH C 2 .   ? -11.607 13.214 7.171   1.00 28.74 ? 243 HOH A O   1 
HETATM 1623 O O   . HOH C 2 .   ? -35.973 19.898 -0.769  1.00 42.31 ? 244 HOH A O   1 
HETATM 1624 O O   . HOH C 2 .   ? 0.033   18.529 -6.894  1.00 28.98 ? 245 HOH A O   1 
HETATM 1625 O O   . HOH C 2 .   ? -12.812 6.187  -6.720  1.00 24.64 ? 246 HOH A O   1 
HETATM 1626 O O   . HOH C 2 .   ? -5.734  9.991  -7.946  1.00 51.08 ? 247 HOH A O   1 
HETATM 1627 O O   . HOH C 2 .   ? -6.453  22.719 -12.107 1.00 24.17 ? 248 HOH A O   1 
HETATM 1628 O O   . HOH C 2 .   ? -26.266 10.009 -3.079  1.00 21.85 ? 249 HOH A O   1 
HETATM 1629 O O   . HOH C 2 .   ? -23.050 12.977 11.484  1.00 41.13 ? 250 HOH A O   1 
HETATM 1630 O O   . HOH C 2 .   ? -28.662 11.130 -4.509  1.00 30.27 ? 251 HOH A O   1 
HETATM 1631 O O   . HOH C 2 .   ? -23.396 27.622 13.449  1.00 32.88 ? 252 HOH A O   1 
HETATM 1632 O O   . HOH C 2 .   ? -11.221 26.025 6.026   1.00 19.23 ? 253 HOH A O   1 
HETATM 1633 O O   . HOH C 2 .   ? -14.720 7.103  -2.897  1.00 36.57 ? 254 HOH A O   1 
HETATM 1634 O O   . HOH C 2 .   ? -2.963  20.448 6.970   1.00 27.59 ? 255 HOH A O   1 
HETATM 1635 O O   . HOH C 2 .   ? -19.372 8.432  4.794   1.00 23.42 ? 256 HOH A O   1 
HETATM 1636 O O   . HOH C 2 .   ? -0.593  27.303 -3.546  1.00 25.52 ? 257 HOH A O   1 
HETATM 1637 O O   . HOH C 2 .   ? 2.831   25.601 -7.326  1.00 47.99 ? 258 HOH A O   1 
HETATM 1638 O O   . HOH C 2 .   ? -23.555 28.181 -5.249  1.00 21.41 ? 259 HOH A O   1 
HETATM 1639 O O   . HOH C 2 .   ? -15.810 6.753  1.313   1.00 73.56 ? 260 HOH A O   1 
HETATM 1640 O O   . HOH C 2 .   ? -20.930 12.231 8.980   1.00 32.16 ? 261 HOH A O   1 
HETATM 1641 O O   . HOH C 2 .   ? -15.034 27.825 -1.622  1.00 19.32 ? 262 HOH A O   1 
HETATM 1642 O O   . HOH C 2 .   ? -10.290 18.446 6.918   1.00 35.61 ? 263 HOH A O   1 
HETATM 1643 O O   . HOH C 2 .   ? -6.531  26.238 0.358   1.00 26.51 ? 264 HOH A O   1 
HETATM 1644 O O   . HOH C 2 .   ? -14.698 25.613 -3.164  1.00 25.20 ? 265 HOH A O   1 
HETATM 1645 O O   . HOH C 2 .   ? -11.499 10.501 6.115   1.00 27.51 ? 266 HOH A O   1 
HETATM 1646 O O   . HOH C 2 .   ? -14.847 10.540 -12.461 1.00 43.52 ? 267 HOH A O   1 
HETATM 1647 O O   . HOH C 2 .   ? -33.427 21.660 -2.986  1.00 32.14 ? 268 HOH A O   1 
HETATM 1648 O O   . HOH C 2 .   ? -26.208 27.978 -5.910  1.00 22.58 ? 269 HOH A O   1 
HETATM 1649 O O   . HOH C 2 .   ? -14.035 6.950  -13.339 1.00 82.94 ? 270 HOH A O   1 
HETATM 1650 O O   . HOH C 2 .   ? -30.410 19.216 -4.814  1.00 33.23 ? 271 HOH A O   1 
HETATM 1651 O O   . HOH C 2 .   ? -7.918  22.767 8.341   1.00 51.71 ? 272 HOH A O   1 
HETATM 1652 O O   . HOH C 2 .   ? -36.607 23.586 1.871   1.00 36.83 ? 273 HOH A O   1 
HETATM 1653 O O   . HOH C 2 .   ? -19.024 19.311 -13.895 1.00 34.85 ? 274 HOH A O   1 
HETATM 1654 O O   . HOH C 2 .   ? -19.894 29.066 4.130   1.00 33.21 ? 275 HOH A O   1 
HETATM 1655 O O   . HOH C 2 .   ? -7.478  10.255 -10.174 1.00 35.46 ? 276 HOH A O   1 
HETATM 1656 O O   . HOH C 2 .   ? -23.331 7.431  -4.411  1.00 32.77 ? 277 HOH A O   1 
HETATM 1657 O O   . HOH C 2 .   ? -21.468 9.191  -5.664  1.00 23.78 ? 278 HOH A O   1 
HETATM 1658 O O   . HOH C 2 .   ? -16.825 6.378  -4.579  1.00 33.60 ? 279 HOH A O   1 
HETATM 1659 O O   . HOH C 2 .   ? -11.535 28.302 -4.104  1.00 42.66 ? 280 HOH A O   1 
HETATM 1660 O O   . HOH C 2 .   ? -16.182 17.797 -12.564 1.00 40.41 ? 281 HOH A O   1 
HETATM 1661 O O   . HOH C 2 .   ? -27.163 29.217 8.173   1.00 39.06 ? 282 HOH A O   1 
HETATM 1662 O O   . HOH C 2 .   ? -34.107 25.360 -1.824  1.00 45.75 ? 283 HOH A O   1 
HETATM 1663 O O   . HOH C 2 .   ? -4.649  12.468 -10.243 1.00 45.94 ? 284 HOH A O   1 
HETATM 1664 O O   . HOH C 2 .   ? -19.721 32.680 -0.177  1.00 39.05 ? 285 HOH A O   1 
HETATM 1665 O O   . HOH C 2 .   ? -11.352 24.059 8.083   1.00 34.90 ? 286 HOH A O   1 
HETATM 1666 O O   . HOH C 2 .   ? -13.302 20.916 9.175   1.00 36.99 ? 287 HOH A O   1 
HETATM 1667 O O   . HOH C 2 .   ? -15.568 5.781  -7.102  1.00 32.93 ? 288 HOH A O   1 
HETATM 1668 O O   . HOH C 2 .   ? -34.578 31.562 6.777   1.00 48.63 ? 289 HOH A O   1 
HETATM 1669 O O   . HOH C 2 .   ? -16.485 6.734  -9.757  1.00 19.17 ? 290 HOH A O   1 
HETATM 1670 O O   . HOH C 2 .   ? -10.012 16.319 10.863  1.00 41.68 ? 291 HOH A O   1 
HETATM 1671 O O   . HOH C 2 .   ? -8.975  9.311  6.884   1.00 38.74 ? 292 HOH A O   1 
HETATM 1672 O O   . HOH C 2 .   ? -10.702 19.152 10.279  1.00 40.20 ? 293 HOH A O   1 
HETATM 1673 O O   . HOH C 2 .   ? -12.154 12.805 10.042  1.00 38.92 ? 294 HOH A O   1 
HETATM 1674 O O   . HOH C 2 .   ? -32.601 33.303 5.572   1.00 55.17 ? 295 HOH A O   1 
HETATM 1675 O O   . HOH D 2 .   ? -12.634 28.816 -1.017  1.00 37.21 ? 201 HOH B O   1 
HETATM 1676 O O   . HOH D 2 .   ? -8.374  29.742 2.065   1.00 35.22 ? 202 HOH B O   1 
HETATM 1677 O O   . HOH D 2 .   ? -14.858 37.721 24.979  1.00 22.62 ? 203 HOH B O   1 
HETATM 1678 O O   . HOH D 2 .   ? -9.279  31.293 32.195  1.00 29.97 ? 204 HOH B O   1 
HETATM 1679 O O   . HOH D 2 .   ? -15.406 16.081 33.954  1.00 24.41 ? 205 HOH B O   1 
HETATM 1680 O O   . HOH D 2 .   ? -13.744 9.433  28.843  1.00 26.82 ? 206 HOH B O   1 
HETATM 1681 O O   . HOH D 2 .   ? -24.214 18.375 29.128  1.00 35.95 ? 207 HOH B O   1 
HETATM 1682 O O   . HOH D 2 .   ? -17.852 30.545 31.053  1.00 38.57 ? 208 HOH B O   1 
HETATM 1683 O O   . HOH D 2 .   ? -17.506 21.914 31.665  1.00 36.18 ? 209 HOH B O   1 
HETATM 1684 O O   . HOH D 2 .   ? -13.408 35.421 24.177  1.00 17.45 ? 210 HOH B O   1 
HETATM 1685 O O   . HOH D 2 .   ? -12.898 32.562 9.589   1.00 18.69 ? 211 HOH B O   1 
HETATM 1686 O O   . HOH D 2 .   ? -7.248  21.560 16.097  1.00 15.05 ? 212 HOH B O   1 
HETATM 1687 O O   . HOH D 2 .   ? -4.909  27.748 25.549  1.00 21.72 ? 213 HOH B O   1 
HETATM 1688 O O   . HOH D 2 .   ? -8.032  28.953 31.581  1.00 31.80 ? 214 HOH B O   1 
HETATM 1689 O O   . HOH D 2 .   ? -6.354  34.873 19.183  1.00 30.55 ? 215 HOH B O   1 
HETATM 1690 O O   . HOH D 2 .   ? -15.476 37.230 14.605  1.00 36.06 ? 216 HOH B O   1 
HETATM 1691 O O   . HOH D 2 .   ? -14.765 29.461 27.789  1.00 24.67 ? 217 HOH B O   1 
HETATM 1692 O O   . HOH D 2 .   ? -4.592  12.584 27.143  1.00 43.83 ? 218 HOH B O   1 
HETATM 1693 O O   . HOH D 2 .   ? -21.055 28.312 27.385  1.00 29.75 ? 219 HOH B O   1 
HETATM 1694 O O   . HOH D 2 .   ? -8.279  36.115 16.308  1.00 29.89 ? 220 HOH B O   1 
HETATM 1695 O O   . HOH D 2 .   ? -7.842  34.639 24.202  1.00 26.27 ? 221 HOH B O   1 
HETATM 1696 O O   . HOH D 2 .   ? -10.238 36.183 14.054  1.00 33.01 ? 222 HOH B O   1 
HETATM 1697 O O   . HOH D 2 .   ? -19.541 37.108 21.986  1.00 18.42 ? 223 HOH B O   1 
HETATM 1698 O O   . HOH D 2 .   ? -15.321 20.664 10.862  1.00 14.74 ? 224 HOH B O   1 
HETATM 1699 O O   . HOH D 2 .   ? -22.578 24.287 27.853  1.00 32.91 ? 225 HOH B O   1 
HETATM 1700 O O   . HOH D 2 .   ? -8.914  46.136 21.249  1.00 38.47 ? 226 HOH B O   1 
HETATM 1701 O O   . HOH D 2 .   ? -23.088 34.703 15.611  1.00 21.60 ? 227 HOH B O   1 
HETATM 1702 O O   . HOH D 2 .   ? -10.078 16.432 37.041  1.00 40.18 ? 228 HOH B O   1 
HETATM 1703 O O   . HOH D 2 .   ? -13.793 26.607 5.513   1.00 21.66 ? 229 HOH B O   1 
HETATM 1704 O O   . HOH D 2 .   ? -3.143  27.061 22.742  1.00 17.42 ? 230 HOH B O   1 
HETATM 1705 O O   . HOH D 2 .   ? -7.269  27.513 7.946   1.00 29.04 ? 231 HOH B O   1 
HETATM 1706 O O   . HOH D 2 .   ? -12.648 39.766 21.672  1.00 17.08 ? 232 HOH B O   1 
HETATM 1707 O O   . HOH D 2 .   ? -5.296  18.027 18.042  1.00 26.00 ? 233 HOH B O   1 
HETATM 1708 O O   . HOH D 2 .   ? -24.823 14.371 23.964  1.00 27.63 ? 234 HOH B O   1 
HETATM 1709 O O   . HOH D 2 .   ? -7.946  9.196  19.968  1.00 43.61 ? 235 HOH B O   1 
HETATM 1710 O O   . HOH D 2 .   ? -9.402  24.907 10.528  1.00 41.88 ? 236 HOH B O   1 
HETATM 1711 O O   . HOH D 2 .   ? -4.385  16.592 26.047  1.00 38.67 ? 237 HOH B O   1 
HETATM 1712 O O   . HOH D 2 .   ? -8.197  22.699 13.613  1.00 27.15 ? 238 HOH B O   1 
HETATM 1713 O O   . HOH D 2 .   ? -17.382 30.425 28.217  1.00 28.98 ? 239 HOH B O   1 
HETATM 1714 O O   . HOH D 2 .   ? -24.944 20.576 23.648  1.00 29.09 ? 240 HOH B O   1 
HETATM 1715 O O   . HOH D 2 .   ? -17.260 6.107  21.546  1.00 25.69 ? 241 HOH B O   1 
HETATM 1716 O O   . HOH D 2 .   ? -2.412  22.453 22.905  1.00 28.28 ? 242 HOH B O   1 
HETATM 1717 O O   . HOH D 2 .   ? -12.833 31.115 26.371  1.00 22.11 ? 243 HOH B O   1 
HETATM 1718 O O   . HOH D 2 .   ? -12.988 15.529 36.102  1.00 36.81 ? 244 HOH B O   1 
HETATM 1719 O O   . HOH D 2 .   ? -14.785 8.409  33.735  1.00 35.19 ? 245 HOH B O   1 
HETATM 1720 O O   . HOH D 2 .   ? -26.440 27.299 24.504  1.00 33.42 ? 246 HOH B O   1 
HETATM 1721 O O   . HOH D 2 .   ? -23.239 17.314 25.314  1.00 25.89 ? 247 HOH B O   1 
HETATM 1722 O O   . HOH D 2 .   ? -18.153 39.583 22.338  1.00 22.94 ? 248 HOH B O   1 
HETATM 1723 O O   . HOH D 2 .   ? -23.606 28.556 26.849  1.00 40.76 ? 249 HOH B O   1 
HETATM 1724 O O   . HOH D 2 .   ? -19.445 39.982 15.868  1.00 25.62 ? 250 HOH B O   1 
HETATM 1725 O O   . HOH D 2 .   ? -9.259  40.089 15.690  1.00 44.48 ? 251 HOH B O   1 
HETATM 1726 O O   . HOH D 2 .   ? -3.830  20.186 22.044  1.00 33.93 ? 252 HOH B O   1 
HETATM 1727 O O   . HOH D 2 .   ? -18.532 36.075 1.344   1.00 39.35 ? 253 HOH B O   1 
HETATM 1728 O O   . HOH D 2 .   ? -4.698  20.783 17.700  1.00 20.17 ? 254 HOH B O   1 
HETATM 1729 O O   . HOH D 2 .   ? -21.683 43.021 21.558  1.00 23.44 ? 255 HOH B O   1 
HETATM 1730 O O   . HOH D 2 .   ? -12.570 7.349  27.962  1.00 32.04 ? 256 HOH B O   1 
HETATM 1731 O O   . HOH D 2 .   ? -10.017 28.856 -0.824  1.00 31.78 ? 257 HOH B O   1 
HETATM 1732 O O   . HOH D 2 .   ? -23.185 32.758 27.211  1.00 33.62 ? 258 HOH B O   1 
HETATM 1733 O O   . HOH D 2 .   ? -23.407 22.422 29.923  1.00 41.73 ? 259 HOH B O   1 
HETATM 1734 O O   . HOH D 2 .   ? -16.962 39.571 14.589  1.00 42.40 ? 260 HOH B O   1 
HETATM 1735 O O   . HOH D 2 .   ? -27.877 8.859  22.561  1.00 36.00 ? 261 HOH B O   1 
HETATM 1736 O O   . HOH D 2 .   ? -25.050 11.974 22.376  1.00 32.79 ? 262 HOH B O   1 
HETATM 1737 O O   . HOH D 2 .   ? -19.710 22.999 34.653  1.00 47.04 ? 263 HOH B O   1 
HETATM 1738 O O   . HOH D 2 .   ? -21.542 11.999 35.140  1.00 31.66 ? 264 HOH B O   1 
HETATM 1739 O O   . HOH D 2 .   ? -6.429  36.716 21.488  1.00 37.92 ? 265 HOH B O   1 
HETATM 1740 O O   . HOH D 2 .   ? -12.408 33.705 6.980   1.00 35.44 ? 266 HOH B O   1 
HETATM 1741 O O   . HOH D 2 .   ? -21.503 22.025 26.702  1.00 36.24 ? 267 HOH B O   1 
HETATM 1742 O O   . HOH D 2 .   ? -25.546 10.201 29.630  1.00 35.83 ? 268 HOH B O   1 
HETATM 1743 O O   . HOH D 2 .   ? -8.461  13.392 16.747  1.00 43.20 ? 269 HOH B O   1 
HETATM 1744 O O   . HOH D 2 .   ? -22.844 28.209 8.501   1.00 33.06 ? 270 HOH B O   1 
HETATM 1745 O O   . HOH D 2 .   ? -11.227 13.898 15.671  1.00 34.95 ? 271 HOH B O   1 
HETATM 1746 O O   . HOH D 2 .   ? -19.044 4.196  29.777  1.00 31.83 ? 272 HOH B O   1 
HETATM 1747 O O   . HOH D 2 .   ? -9.922  35.262 25.714  1.00 25.90 ? 273 HOH B O   1 
HETATM 1748 O O   . HOH D 2 .   ? -24.731 25.599 18.176  1.00 27.40 ? 274 HOH B O   1 
HETATM 1749 O O   . HOH D 2 .   ? -11.910 43.712 20.605  1.00 32.36 ? 275 HOH B O   1 
HETATM 1750 O O   . HOH D 2 .   ? -16.337 14.005 15.499  1.00 38.27 ? 276 HOH B O   1 
HETATM 1751 O O   . HOH D 2 .   ? -23.249 16.321 16.284  1.00 38.07 ? 277 HOH B O   1 
HETATM 1752 O O   . HOH D 2 .   ? -3.749  17.397 20.477  1.00 46.05 ? 278 HOH B O   1 
HETATM 1753 O O   . HOH D 2 .   ? -8.947  10.357 33.332  1.00 35.98 ? 279 HOH B O   1 
HETATM 1754 O O   . HOH D 2 .   ? -27.561 6.992  26.442  1.00 38.20 ? 280 HOH B O   1 
HETATM 1755 O O   . HOH D 2 .   ? -2.893  29.513 25.422  1.00 25.44 ? 281 HOH B O   1 
HETATM 1756 O O   . HOH D 2 .   ? -20.330 28.273 31.630  1.00 50.88 ? 282 HOH B O   1 
HETATM 1757 O O   . HOH D 2 .   ? -6.572  45.487 22.433  1.00 38.32 ? 283 HOH B O   1 
HETATM 1758 O O   . HOH D 2 .   ? -24.060 19.876 33.749  1.00 42.15 ? 284 HOH B O   1 
HETATM 1759 O O   . HOH D 2 .   ? -20.737 16.466 14.638  1.00 36.62 ? 285 HOH B O   1 
HETATM 1760 O O   . HOH D 2 .   ? -13.397 33.899 26.571  1.00 25.17 ? 286 HOH B O   1 
HETATM 1761 O O   . HOH D 2 .   ? -2.120  29.502 28.088  1.00 36.34 ? 287 HOH B O   1 
HETATM 1762 O O   . HOH D 2 .   ? -23.342 32.286 13.919  1.00 39.86 ? 288 HOH B O   1 
HETATM 1763 O O   . HOH D 2 .   ? -16.613 32.218 29.580  1.00 43.37 ? 289 HOH B O   1 
HETATM 1764 O O   . HOH D 2 .   ? -23.205 20.204 25.578  1.00 41.68 ? 290 HOH B O   1 
HETATM 1765 O O   . HOH D 2 .   ? -9.557  26.520 31.874  1.00 37.33 ? 291 HOH B O   1 
HETATM 1766 O O   . HOH D 2 .   ? -15.288 39.650 23.030  1.00 22.98 ? 292 HOH B O   1 
HETATM 1767 O O   . HOH D 2 .   ? -18.839 6.473  15.849  1.00 40.73 ? 293 HOH B O   1 
HETATM 1768 O O   . HOH D 2 .   ? -17.887 16.570 12.762  1.00 30.81 ? 294 HOH B O   1 
HETATM 1769 O O   . HOH D 2 .   ? -16.854 14.113 12.103  1.00 36.92 ? 295 HOH B O   1 
HETATM 1770 O O   . HOH D 2 .   ? -10.406 13.840 13.004  1.00 40.83 ? 296 HOH B O   1 
HETATM 1771 O O   . HOH D 2 .   ? -14.339 12.934 11.809  1.00 39.64 ? 297 HOH B 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   MET 1   0   ?   ?   ?   A . n 
A 1 2   ALA 2   1   1   ALA ALA A . n 
A 1 3   PRO 3   2   2   PRO PRO A . n 
A 1 4   VAL 4   3   3   VAL VAL A . n 
A 1 5   LYS 5   4   4   LYS LYS A . n 
A 1 6   VAL 6   5   5   VAL VAL A . n 
A 1 7   TRP 7   6   6   TRP TRP A . n 
A 1 8   GLY 8   7   7   GLY GLY A . n 
A 1 9   SER 9   8   8   SER SER A . n 
A 1 10  ILE 10  9   9   ILE ILE A . n 
A 1 11  LYS 11  10  10  LYS LYS A . n 
A 1 12  GLY 12  11  11  GLY GLY A . n 
A 1 13  LEU 13  12  12  LEU LEU A . n 
A 1 14  THR 14  13  13  THR THR A . n 
A 1 15  GLU 15  14  14  GLU GLU A . n 
A 1 16  GLY 16  15  15  GLY GLY A . n 
A 1 17  LEU 17  16  16  LEU LEU A . n 
A 1 18  HIS 18  17  17  HIS HIS A . n 
A 1 19  GLY 19  18  18  GLY GLY A . n 
A 1 20  PHE 20  19  19  PHE PHE A . n 
A 1 21  HIS 21  20  20  HIS HIS A . n 
A 1 22  VAL 22  21  21  VAL VAL A . n 
A 1 23  HIS 23  22  22  HIS HIS A . n 
A 1 24  GLY 24  23  23  GLY GLY A . n 
A 1 25  ALA 25  24  24  ALA ALA A . n 
A 1 26  GLY 26  25  25  GLY GLY A . n 
A 1 27  GLY 27  26  26  GLY GLY A . n 
A 1 28  ASP 28  27  27  ASP ASP A . n 
A 1 29  LEU 29  28  28  LEU LEU A . n 
A 1 30  GLY 30  29  29  GLY GLY A . n 
A 1 31  ASN 31  30  30  ASN ASN A . n 
A 1 32  VAL 32  31  31  VAL VAL A . n 
A 1 33  THR 33  32  32  THR THR A . n 
A 1 34  ALA 34  33  33  ALA ALA A . n 
A 1 35  ASP 35  34  34  ASP ASP A . n 
A 1 36  LYS 36  35  35  LYS LYS A . n 
A 1 37  ASP 37  36  36  ASP ASP A . n 
A 1 38  GLY 38  37  37  GLY GLY A . n 
A 1 39  VAL 39  38  38  VAL VAL A . n 
A 1 40  ALA 40  39  39  ALA ALA A . n 
A 1 41  ASP 41  40  40  ASP ASP A . n 
A 1 42  VAL 42  41  41  VAL VAL A . n 
A 1 43  SER 43  42  42  SER SER A . n 
A 1 44  ILE 44  43  43  ILE ILE A . n 
A 1 45  GLU 45  44  44  GLU GLU A . n 
A 1 46  ASP 46  45  45  ASP ASP A . n 
A 1 47  SER 47  46  46  SER SER A . n 
A 1 48  VAL 48  47  47  VAL VAL A . n 
A 1 49  ILE 49  48  48  ILE ILE A . n 
A 1 50  SER 50  49  49  SER SER A . n 
A 1 51  LEU 51  50  50  LEU LEU A . n 
A 1 52  SER 52  51  51  SER SER A . n 
A 1 53  GLY 53  52  52  GLY GLY A . n 
A 1 54  ASP 54  53  53  ASP ASP A . n 
A 1 55  HIS 55  54  54  HIS HIS A . n 
A 1 56  SER 56  55  55  SER SER A . n 
A 1 57  ILE 57  56  56  ILE ILE A . n 
A 1 58  ILE 58  57  57  ILE ILE A . n 
A 1 59  GLY 59  58  58  GLY GLY A . n 
A 1 60  ARG 60  59  59  ARG ARG A . n 
A 1 61  THR 61  60  60  THR THR A . n 
A 1 62  LEU 62  61  61  LEU LEU A . n 
A 1 63  VAL 63  62  62  VAL VAL A . n 
A 1 64  VAL 64  63  63  VAL VAL A . n 
A 1 65  HIS 65  64  64  HIS HIS A . n 
A 1 66  GLU 66  65  65  GLU GLU A . n 
A 1 67  LYS 67  66  66  LYS LYS A . n 
A 1 68  ALA 68  67  67  ALA ALA A . n 
A 1 69  GLY 69  68  68  GLY GLY A . n 
A 1 70  ALA 70  69  69  ALA ALA A . n 
A 1 71  GLY 71  70  70  GLY GLY A . n 
A 1 72  ALA 72  71  71  ALA ALA A . n 
A 1 73  GLY 73  72  72  GLY GLY A . n 
A 1 74  SER 74  73  73  SER SER A . n 
A 1 75  ARG 75  74  74  ARG ARG A . n 
A 1 76  LEU 76  75  75  LEU LEU A . n 
A 1 77  ALA 77  76  76  ALA ALA A . n 
A 1 78  SER 78  77  77  SER SER A . n 
A 1 79  GLY 79  78  78  GLY GLY A . n 
A 1 80  VAL 80  79  79  VAL VAL A . n 
A 1 81  ILE 81  80  80  ILE ILE A . n 
A 1 82  GLY 82  81  81  GLY GLY A . n 
A 1 83  ILE 83  82  82  ILE ILE A . n 
A 1 84  ALA 84  83  83  ALA ALA A . n 
A 1 85  GLN 85  84  84  GLN GLN A . n 
A 1 86  ALA 86  85  85  ALA ALA A . n 
A 1 87  GLY 87  86  86  GLY GLY A . n 
A 1 88  ALA 88  87  87  ALA ALA A . n 
A 1 89  GLY 89  88  88  GLY GLY A . n 
A 1 90  ALA 90  89  89  ALA ALA A . n 
A 1 91  THR 91  90  90  THR THR A . n 
A 1 92  LYS 92  91  91  LYS LYS A . n 
A 1 93  ALA 93  92  92  ALA ALA A . n 
A 1 94  VAL 94  93  93  VAL VAL A . n 
A 1 95  ALA 95  94  94  ALA ALA A . n 
A 1 96  VAL 96  95  95  VAL VAL A . n 
A 1 97  LEU 97  96  96  LEU LEU A . n 
A 1 98  LYS 98  97  97  LYS LYS A . n 
A 1 99  GLY 99  98  98  GLY GLY A . n 
A 1 100 ASP 100 99  99  ASP ASP A . n 
A 1 101 GLY 101 100 100 GLY GLY A . n 
A 1 102 PRO 102 101 101 PRO PRO A . n 
A 1 103 VAL 103 102 102 VAL VAL A . n 
A 1 104 GLN 104 103 103 GLN GLN A . n 
A 1 105 GLY 105 104 104 GLY GLY A . n 
A 1 106 ILE 106 105 105 ILE ILE A . n 
A 1 107 ILE 107 106 106 ILE ILE A . n 
A 1 108 ASN 108 107 107 ASN ASN A . n 
A 1 109 PHE 109 108 108 PHE PHE A . n 
A 1 110 GLU 110 109 109 GLU GLU A . n 
A 1 111 GLN 111 110 110 GLN GLN A . n 
A 1 112 LYS 112 111 111 LYS LYS A . n 
A 1 113 GLU 113 112 112 GLU GLU A . n 
A 1 114 SER 114 113 ?   ?   ?   A . n 
B 1 1   MET 1   0   0   MET MET B . n 
B 1 2   ALA 2   1   1   ALA ALA B . n 
B 1 3   PRO 3   2   2   PRO PRO B . n 
B 1 4   VAL 4   3   3   VAL VAL B . n 
B 1 5   LYS 5   4   4   LYS LYS B . n 
B 1 6   VAL 6   5   5   VAL VAL B . n 
B 1 7   TRP 7   6   6   TRP TRP B . n 
B 1 8   GLY 8   7   7   GLY GLY B . n 
B 1 9   SER 9   8   8   SER SER B . n 
B 1 10  ILE 10  9   9   ILE ILE B . n 
B 1 11  LYS 11  10  10  LYS LYS B . n 
B 1 12  GLY 12  11  11  GLY GLY B . n 
B 1 13  LEU 13  12  12  LEU LEU B . n 
B 1 14  THR 14  13  13  THR THR B . n 
B 1 15  GLU 15  14  14  GLU GLU B . n 
B 1 16  GLY 16  15  15  GLY GLY B . n 
B 1 17  LEU 17  16  16  LEU LEU B . n 
B 1 18  HIS 18  17  17  HIS HIS B . n 
B 1 19  GLY 19  18  18  GLY GLY B . n 
B 1 20  PHE 20  19  19  PHE PHE B . n 
B 1 21  HIS 21  20  20  HIS HIS B . n 
B 1 22  VAL 22  21  21  VAL VAL B . n 
B 1 23  HIS 23  22  22  HIS HIS B . n 
B 1 24  GLY 24  23  23  GLY GLY B . n 
B 1 25  ALA 25  24  24  ALA ALA B . n 
B 1 26  GLY 26  25  25  GLY GLY B . n 
B 1 27  GLY 27  26  26  GLY GLY B . n 
B 1 28  ASP 28  27  27  ASP ASP B . n 
B 1 29  LEU 29  28  28  LEU LEU B . n 
B 1 30  GLY 30  29  29  GLY GLY B . n 
B 1 31  ASN 31  30  30  ASN ASN B . n 
B 1 32  VAL 32  31  31  VAL VAL B . n 
B 1 33  THR 33  32  32  THR THR B . n 
B 1 34  ALA 34  33  33  ALA ALA B . n 
B 1 35  ASP 35  34  34  ASP ASP B . n 
B 1 36  LYS 36  35  35  LYS LYS B . n 
B 1 37  ASP 37  36  36  ASP ASP B . n 
B 1 38  GLY 38  37  37  GLY GLY B . n 
B 1 39  VAL 39  38  38  VAL VAL B . n 
B 1 40  ALA 40  39  39  ALA ALA B . n 
B 1 41  ASP 41  40  40  ASP ASP B . n 
B 1 42  VAL 42  41  41  VAL VAL B . n 
B 1 43  SER 43  42  42  SER SER B . n 
B 1 44  ILE 44  43  43  ILE ILE B . n 
B 1 45  GLU 45  44  44  GLU GLU B . n 
B 1 46  ASP 46  45  45  ASP ASP B . n 
B 1 47  SER 47  46  46  SER SER B . n 
B 1 48  VAL 48  47  47  VAL VAL B . n 
B 1 49  ILE 49  48  48  ILE ILE B . n 
B 1 50  SER 50  49  49  SER SER B . n 
B 1 51  LEU 51  50  50  LEU LEU B . n 
B 1 52  SER 52  51  51  SER SER B . n 
B 1 53  GLY 53  52  52  GLY GLY B . n 
B 1 54  ASP 54  53  53  ASP ASP B . n 
B 1 55  HIS 55  54  54  HIS HIS B . n 
B 1 56  SER 56  55  55  SER SER B . n 
B 1 57  ILE 57  56  56  ILE ILE B . n 
B 1 58  ILE 58  57  57  ILE ILE B . n 
B 1 59  GLY 59  58  58  GLY GLY B . n 
B 1 60  ARG 60  59  59  ARG ARG B . n 
B 1 61  THR 61  60  60  THR THR B . n 
B 1 62  LEU 62  61  61  LEU LEU B . n 
B 1 63  VAL 63  62  62  VAL VAL B . n 
B 1 64  VAL 64  63  63  VAL VAL B . n 
B 1 65  HIS 65  64  64  HIS HIS B . n 
B 1 66  GLU 66  65  65  GLU GLU B . n 
B 1 67  LYS 67  66  66  LYS LYS B . n 
B 1 68  ALA 68  67  67  ALA ALA B . n 
B 1 69  GLY 69  68  68  GLY GLY B . n 
B 1 70  ALA 70  69  69  ALA ALA B . n 
B 1 71  GLY 71  70  70  GLY GLY B . n 
B 1 72  ALA 72  71  71  ALA ALA B . n 
B 1 73  GLY 73  72  72  GLY GLY B . n 
B 1 74  SER 74  73  73  SER SER B . n 
B 1 75  ARG 75  74  74  ARG ARG B . n 
B 1 76  LEU 76  75  75  LEU LEU B . n 
B 1 77  ALA 77  76  76  ALA ALA B . n 
B 1 78  SER 78  77  77  SER SER B . n 
B 1 79  GLY 79  78  78  GLY GLY B . n 
B 1 80  VAL 80  79  79  VAL VAL B . n 
B 1 81  ILE 81  80  80  ILE ILE B . n 
B 1 82  GLY 82  81  81  GLY GLY B . n 
B 1 83  ILE 83  82  82  ILE ILE B . n 
B 1 84  ALA 84  83  83  ALA ALA B . n 
B 1 85  GLN 85  84  84  GLN GLN B . n 
B 1 86  ALA 86  85  85  ALA ALA B . n 
B 1 87  GLY 87  86  86  GLY GLY B . n 
B 1 88  ALA 88  87  87  ALA ALA B . n 
B 1 89  GLY 89  88  88  GLY GLY B . n 
B 1 90  ALA 90  89  89  ALA ALA B . n 
B 1 91  THR 91  90  90  THR THR B . n 
B 1 92  LYS 92  91  91  LYS LYS B . n 
B 1 93  ALA 93  92  92  ALA ALA B . n 
B 1 94  VAL 94  93  93  VAL VAL B . n 
B 1 95  ALA 95  94  94  ALA ALA B . n 
B 1 96  VAL 96  95  95  VAL VAL B . n 
B 1 97  LEU 97  96  96  LEU LEU B . n 
B 1 98  LYS 98  97  97  LYS LYS B . n 
B 1 99  GLY 99  98  98  GLY GLY B . n 
B 1 100 ASP 100 99  99  ASP ASP B . n 
B 1 101 GLY 101 100 100 GLY GLY B . n 
B 1 102 PRO 102 101 101 PRO PRO B . n 
B 1 103 VAL 103 102 102 VAL VAL B . n 
B 1 104 GLN 104 103 103 GLN GLN B . n 
B 1 105 GLY 105 104 104 GLY GLY B . n 
B 1 106 ILE 106 105 105 ILE ILE B . n 
B 1 107 ILE 107 106 106 ILE ILE B . n 
B 1 108 ASN 108 107 107 ASN ASN B . n 
B 1 109 PHE 109 108 108 PHE PHE B . n 
B 1 110 GLU 110 109 109 GLU GLU B . n 
B 1 111 GLN 111 110 110 GLN GLN B . n 
B 1 112 LYS 112 111 111 LYS LYS B . n 
B 1 113 GLU 113 112 112 GLU GLU B . n 
B 1 114 SER 114 113 113 SER SER B . 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 
C 2 HOH 1  201 89  HOH HOH A . 
C 2 HOH 2  202 100 HOH HOH A . 
C 2 HOH 3  203 22  HOH HOH A . 
C 2 HOH 4  204 204 HOH HOH A . 
C 2 HOH 5  205 39  HOH HOH A . 
C 2 HOH 6  206 162 HOH HOH A . 
C 2 HOH 7  207 30  HOH HOH A . 
C 2 HOH 8  208 146 HOH HOH A . 
C 2 HOH 9  209 78  HOH HOH A . 
C 2 HOH 10 210 46  HOH HOH A . 
C 2 HOH 11 211 19  HOH HOH A . 
C 2 HOH 12 212 103 HOH HOH A . 
C 2 HOH 13 213 5   HOH HOH A . 
C 2 HOH 14 214 86  HOH HOH A . 
C 2 HOH 15 215 58  HOH HOH A . 
C 2 HOH 16 216 1   HOH HOH A . 
C 2 HOH 17 217 23  HOH HOH A . 
C 2 HOH 18 218 48  HOH HOH A . 
C 2 HOH 19 219 138 HOH HOH A . 
C 2 HOH 20 220 29  HOH HOH A . 
C 2 HOH 21 221 165 HOH HOH A . 
C 2 HOH 22 222 167 HOH HOH A . 
C 2 HOH 23 223 213 HOH HOH A . 
C 2 HOH 24 224 12  HOH HOH A . 
C 2 HOH 25 225 45  HOH HOH A . 
C 2 HOH 26 226 33  HOH HOH A . 
C 2 HOH 27 227 67  HOH HOH A . 
C 2 HOH 28 228 16  HOH HOH A . 
C 2 HOH 29 229 24  HOH HOH A . 
C 2 HOH 30 230 81  HOH HOH A . 
C 2 HOH 31 231 10  HOH HOH A . 
C 2 HOH 32 232 75  HOH HOH A . 
C 2 HOH 33 233 118 HOH HOH A . 
C 2 HOH 34 234 91  HOH HOH A . 
C 2 HOH 35 235 183 HOH HOH A . 
C 2 HOH 36 236 69  HOH HOH A . 
C 2 HOH 37 237 95  HOH HOH A . 
C 2 HOH 38 238 195 HOH HOH A . 
C 2 HOH 39 239 197 HOH HOH A . 
C 2 HOH 40 240 104 HOH HOH A . 
C 2 HOH 41 241 161 HOH HOH A . 
C 2 HOH 42 242 139 HOH HOH A . 
C 2 HOH 43 243 37  HOH HOH A . 
C 2 HOH 44 244 144 HOH HOH A . 
C 2 HOH 45 245 76  HOH HOH A . 
C 2 HOH 46 246 66  HOH HOH A . 
C 2 HOH 47 247 178 HOH HOH A . 
C 2 HOH 48 248 72  HOH HOH A . 
C 2 HOH 49 249 36  HOH HOH A . 
C 2 HOH 50 250 153 HOH HOH A . 
C 2 HOH 51 251 105 HOH HOH A . 
C 2 HOH 52 252 128 HOH HOH A . 
C 2 HOH 53 253 9   HOH HOH A . 
C 2 HOH 54 254 111 HOH HOH A . 
C 2 HOH 55 255 97  HOH HOH A . 
C 2 HOH 56 256 25  HOH HOH A . 
C 2 HOH 57 257 57  HOH HOH A . 
C 2 HOH 58 258 101 HOH HOH A . 
C 2 HOH 59 259 116 HOH HOH A . 
C 2 HOH 60 260 122 HOH HOH A . 
C 2 HOH 61 261 34  HOH HOH A . 
C 2 HOH 62 262 20  HOH HOH A . 
C 2 HOH 63 263 52  HOH HOH A . 
C 2 HOH 64 264 13  HOH HOH A . 
C 2 HOH 65 265 77  HOH HOH A . 
C 2 HOH 66 266 61  HOH HOH A . 
C 2 HOH 67 267 156 HOH HOH A . 
C 2 HOH 68 268 112 HOH HOH A . 
C 2 HOH 69 269 90  HOH HOH A . 
C 2 HOH 70 270 123 HOH HOH A . 
C 2 HOH 71 271 145 HOH HOH A . 
C 2 HOH 72 272 151 HOH HOH A . 
C 2 HOH 73 273 205 HOH HOH A . 
C 2 HOH 74 274 192 HOH HOH A . 
C 2 HOH 75 275 120 HOH HOH A . 
C 2 HOH 76 276 107 HOH HOH A . 
C 2 HOH 77 277 115 HOH HOH A . 
C 2 HOH 78 278 114 HOH HOH A . 
C 2 HOH 79 279 160 HOH HOH A . 
C 2 HOH 80 280 131 HOH HOH A . 
C 2 HOH 81 281 121 HOH HOH A . 
C 2 HOH 82 282 155 HOH HOH A . 
C 2 HOH 83 283 158 HOH HOH A . 
C 2 HOH 84 284 174 HOH HOH A . 
C 2 HOH 85 285 208 HOH HOH A . 
C 2 HOH 86 286 63  HOH HOH A . 
C 2 HOH 87 287 62  HOH HOH A . 
C 2 HOH 88 288 168 HOH HOH A . 
C 2 HOH 89 289 182 HOH HOH A . 
C 2 HOH 90 290 7   HOH HOH A . 
C 2 HOH 91 291 203 HOH HOH A . 
C 2 HOH 92 292 143 HOH HOH A . 
C 2 HOH 93 293 110 HOH HOH A . 
C 2 HOH 94 294 201 HOH HOH A . 
C 2 HOH 95 295 189 HOH HOH A . 
D 2 HOH 1  201 141 HOH HOH B . 
D 2 HOH 2  202 196 HOH HOH B . 
D 2 HOH 3  203 41  HOH HOH B . 
D 2 HOH 4  204 38  HOH HOH B . 
D 2 HOH 5  205 35  HOH HOH B . 
D 2 HOH 6  206 68  HOH HOH B . 
D 2 HOH 7  207 125 HOH HOH B . 
D 2 HOH 8  208 166 HOH HOH B . 
D 2 HOH 9  209 184 HOH HOH B . 
D 2 HOH 10 210 11  HOH HOH B . 
D 2 HOH 11 211 4   HOH HOH B . 
D 2 HOH 12 212 2   HOH HOH B . 
D 2 HOH 13 213 32  HOH HOH B . 
D 2 HOH 14 214 60  HOH HOH B . 
D 2 HOH 15 215 102 HOH HOH B . 
D 2 HOH 16 216 163 HOH HOH B . 
D 2 HOH 17 217 43  HOH HOH B . 
D 2 HOH 18 218 157 HOH HOH B . 
D 2 HOH 19 219 124 HOH HOH B . 
D 2 HOH 20 220 53  HOH HOH B . 
D 2 HOH 21 221 64  HOH HOH B . 
D 2 HOH 22 222 50  HOH HOH B . 
D 2 HOH 23 223 15  HOH HOH B . 
D 2 HOH 24 224 6   HOH HOH B . 
D 2 HOH 25 225 142 HOH HOH B . 
D 2 HOH 26 226 211 HOH HOH B . 
D 2 HOH 27 227 14  HOH HOH B . 
D 2 HOH 28 228 108 HOH HOH B . 
D 2 HOH 29 229 27  HOH HOH B . 
D 2 HOH 30 230 3   HOH HOH B . 
D 2 HOH 31 231 28  HOH HOH B . 
D 2 HOH 32 232 8   HOH HOH B . 
D 2 HOH 33 233 26  HOH HOH B . 
D 2 HOH 34 234 54  HOH HOH B . 
D 2 HOH 35 235 113 HOH HOH B . 
D 2 HOH 36 236 133 HOH HOH B . 
D 2 HOH 37 237 136 HOH HOH B . 
D 2 HOH 38 238 73  HOH HOH B . 
D 2 HOH 39 239 88  HOH HOH B . 
D 2 HOH 40 240 47  HOH HOH B . 
D 2 HOH 41 241 82  HOH HOH B . 
D 2 HOH 42 242 51  HOH HOH B . 
D 2 HOH 43 243 65  HOH HOH B . 
D 2 HOH 44 244 149 HOH HOH B . 
D 2 HOH 45 245 80  HOH HOH B . 
D 2 HOH 46 246 92  HOH HOH B . 
D 2 HOH 47 247 74  HOH HOH B . 
D 2 HOH 48 248 31  HOH HOH B . 
D 2 HOH 49 249 135 HOH HOH B . 
D 2 HOH 50 250 154 HOH HOH B . 
D 2 HOH 51 251 126 HOH HOH B . 
D 2 HOH 52 252 119 HOH HOH B . 
D 2 HOH 53 253 132 HOH HOH B . 
D 2 HOH 54 254 17  HOH HOH B . 
D 2 HOH 55 255 55  HOH HOH B . 
D 2 HOH 56 256 94  HOH HOH B . 
D 2 HOH 57 257 129 HOH HOH B . 
D 2 HOH 58 258 93  HOH HOH B . 
D 2 HOH 59 259 109 HOH HOH B . 
D 2 HOH 60 260 188 HOH HOH B . 
D 2 HOH 61 261 106 HOH HOH B . 
D 2 HOH 62 262 71  HOH HOH B . 
D 2 HOH 63 263 170 HOH HOH B . 
D 2 HOH 64 264 44  HOH HOH B . 
D 2 HOH 65 265 177 HOH HOH B . 
D 2 HOH 66 266 87  HOH HOH B . 
D 2 HOH 67 267 175 HOH HOH B . 
D 2 HOH 68 268 173 HOH HOH B . 
D 2 HOH 69 269 185 HOH HOH B . 
D 2 HOH 70 270 127 HOH HOH B . 
D 2 HOH 71 271 98  HOH HOH B . 
D 2 HOH 72 272 70  HOH HOH B . 
D 2 HOH 73 273 40  HOH HOH B . 
D 2 HOH 74 274 59  HOH HOH B . 
D 2 HOH 75 275 99  HOH HOH B . 
D 2 HOH 76 276 193 HOH HOH B . 
D 2 HOH 77 277 190 HOH HOH B . 
D 2 HOH 78 278 140 HOH HOH B . 
D 2 HOH 79 279 134 HOH HOH B . 
D 2 HOH 80 280 212 HOH HOH B . 
D 2 HOH 81 281 56  HOH HOH B . 
D 2 HOH 82 282 180 HOH HOH B . 
D 2 HOH 83 283 159 HOH HOH B . 
D 2 HOH 84 284 171 HOH HOH B . 
D 2 HOH 85 285 83  HOH HOH B . 
D 2 HOH 86 286 191 HOH HOH B . 
D 2 HOH 87 287 164 HOH HOH B . 
D 2 HOH 88 288 148 HOH HOH B . 
D 2 HOH 89 289 207 HOH HOH B . 
D 2 HOH 90 290 147 HOH HOH B . 
D 2 HOH 91 291 194 HOH HOH B . 
D 2 HOH 92 292 21  HOH HOH B . 
D 2 HOH 93 293 42  HOH HOH B . 
D 2 HOH 94 294 49  HOH HOH B . 
D 2 HOH 95 295 199 HOH HOH B . 
D 2 HOH 96 296 202 HOH HOH B . 
D 2 HOH 97 297 200 HOH HOH B . 
# 
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 author_defined_assembly ? monomeric 1 
# 
loop_
_pdbx_struct_assembly_gen.assembly_id 
_pdbx_struct_assembly_gen.oper_expression 
_pdbx_struct_assembly_gen.asym_id_list 
1 1 A,C 
2 1 B,D 
# 
_pdbx_struct_oper_list.id                   1 
_pdbx_struct_oper_list.type                 'identity operation' 
_pdbx_struct_oper_list.name                 1_555 
_pdbx_struct_oper_list.symmetry_operation   x,y,z 
_pdbx_struct_oper_list.matrix[1][1]         1.0000000000 
_pdbx_struct_oper_list.matrix[1][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[1][3]         0.0000000000 
_pdbx_struct_oper_list.vector[1]            0.0000000000 
_pdbx_struct_oper_list.matrix[2][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[2][2]         1.0000000000 
_pdbx_struct_oper_list.matrix[2][3]         0.0000000000 
_pdbx_struct_oper_list.vector[2]            0.0000000000 
_pdbx_struct_oper_list.matrix[3][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][3]         1.0000000000 
_pdbx_struct_oper_list.vector[3]            0.0000000000 
# 
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 2017-02-01 
2 'Structure model' 1 1 2018-01-17 
# 
_pdbx_audit_revision_details.ordinal             1 
_pdbx_audit_revision_details.revision_ordinal    1 
_pdbx_audit_revision_details.data_content_type   'Structure model' 
_pdbx_audit_revision_details.provider            repository 
_pdbx_audit_revision_details.type                'Initial release' 
_pdbx_audit_revision_details.description         ? 
# 
_pdbx_audit_revision_group.ordinal             1 
_pdbx_audit_revision_group.revision_ordinal    2 
_pdbx_audit_revision_group.data_content_type   'Structure model' 
_pdbx_audit_revision_group.group               'Data collection' 
# 
_pdbx_audit_revision_category.ordinal             1 
_pdbx_audit_revision_category.revision_ordinal    2 
_pdbx_audit_revision_category.data_content_type   'Structure model' 
_pdbx_audit_revision_category.category            diffrn_source 
# 
_pdbx_audit_revision_item.ordinal             1 
_pdbx_audit_revision_item.revision_ordinal    2 
_pdbx_audit_revision_item.data_content_type   'Structure model' 
_pdbx_audit_revision_item.item                '_diffrn_source.pdbx_synchrotron_site' 
# 
loop_
_software.citation_id 
_software.classification 
_software.compiler_name 
_software.compiler_version 
_software.contact_author 
_software.contact_author_email 
_software.date 
_software.description 
_software.dependencies 
_software.hardware 
_software.language 
_software.location 
_software.mods 
_software.name 
_software.os 
_software.os_version 
_software.type 
_software.version 
_software.pdbx_ordinal 
? 'data scaling'    ? ? ? ? ? ? ? ? ? ? ? Aimless     ? ? ? .        1 
? refinement        ? ? ? ? ? ? ? ? ? ? ? REFMAC      ? ? ? 5.7.0032 2 
? 'data extraction' ? ? ? ? ? ? ? ? ? ? ? PDB_EXTRACT ? ? ? 3.20     3 
? 'data reduction'  ? ? ? ? ? ? ? ? ? ? ? iMOSFLM     ? ? ? .        4 
? phasing           ? ? ? ? ? ? ? ? ? ? ? MOLREP      ? ? ? .        5 
# 
_pdbx_validate_torsion.id              1 
_pdbx_validate_torsion.PDB_model_num   1 
_pdbx_validate_torsion.auth_comp_id    ALA 
_pdbx_validate_torsion.auth_asym_id    B 
_pdbx_validate_torsion.auth_seq_id     24 
_pdbx_validate_torsion.PDB_ins_code    ? 
_pdbx_validate_torsion.label_alt_id    ? 
_pdbx_validate_torsion.phi             -132.24 
_pdbx_validate_torsion.psi             -104.18 
# 
_pdbx_distant_solvent_atoms.id                                1 
_pdbx_distant_solvent_atoms.PDB_model_num                     1 
_pdbx_distant_solvent_atoms.auth_atom_id                      O 
_pdbx_distant_solvent_atoms.label_alt_id                      ? 
_pdbx_distant_solvent_atoms.auth_asym_id                      B 
_pdbx_distant_solvent_atoms.auth_comp_id                      HOH 
_pdbx_distant_solvent_atoms.auth_seq_id                       297 
_pdbx_distant_solvent_atoms.PDB_ins_code                      ? 
_pdbx_distant_solvent_atoms.neighbor_macromolecule_distance   6.35 
_pdbx_distant_solvent_atoms.neighbor_ligand_distance          . 
# 
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 MET 0   ? A MET 1   
2 1 Y 1 A SER 113 ? A SER 114 
# 
_pdbx_entity_nonpoly.entity_id   2 
_pdbx_entity_nonpoly.name        water 
_pdbx_entity_nonpoly.comp_id     HOH 
# 
