data_9J1O
# 
_entry.id   9J1O 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.403 
_audit_conform.dict_location   http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic 
# 
loop_
_database_2.database_id 
_database_2.database_code 
_database_2.pdbx_database_accession 
_database_2.pdbx_DOI 
PDB   9J1O         pdb_00009j1o 10.2210/pdb9j1o/pdb 
WWPDB D_1300049852 ?            ?                   
# 
_pdbx_audit_revision_history.ordinal             1 
_pdbx_audit_revision_history.data_content_type   'Structure model' 
_pdbx_audit_revision_history.major_revision      1 
_pdbx_audit_revision_history.minor_revision      0 
_pdbx_audit_revision_history.revision_date       2025-06-18 
_pdbx_audit_revision_history.part_number         ? 
# 
_pdbx_audit_revision_details.ordinal             1 
_pdbx_audit_revision_details.revision_ordinal    1 
_pdbx_audit_revision_details.data_content_type   'Structure model' 
_pdbx_audit_revision_details.provider            repository 
_pdbx_audit_revision_details.type                'Initial release' 
_pdbx_audit_revision_details.description         ? 
_pdbx_audit_revision_details.details             ? 
# 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.entry_id                        9J1O 
_pdbx_database_status.recvd_initial_deposition_date   2024-08-05 
_pdbx_database_status.SG_entry                        N 
_pdbx_database_status.deposit_site                    PDBJ 
_pdbx_database_status.process_site                    PDBJ 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.status_code_nmr_data            ? 
_pdbx_database_status.methods_development_category    ? 
_pdbx_database_status.pdb_format_compatible           Y 
# 
_pdbx_database_related.db_name        PDB 
_pdbx_database_related.details        . 
_pdbx_database_related.db_id          9J1N 
_pdbx_database_related.content_type   unspecified 
# 
_pdbx_contact_author.id                 2 
_pdbx_contact_author.email              kamitori.shigehiro@kagawa-u.ac.jp 
_pdbx_contact_author.name_first         Shigehiro 
_pdbx_contact_author.name_last          Kamitori 
_pdbx_contact_author.name_mi            ? 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0002-3950-3372 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Nonaka, Y.'   1 0000-0003-0302-5409 
'Kamitori, S.' 2 0000-0002-3950-3372 
# 
_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            Biochem.Biophys.Res.Commun. 
_citation.journal_id_ASTM           BBRCA9 
_citation.journal_id_CSD            0146 
_citation.journal_id_ISSN           1090-2104 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            749 
_citation.language                  ? 
_citation.page_first                151354 
_citation.page_last                 151354 
_citation.title                     
;Structural analysis of Spi-B DNA-binding Ets domain recognizing 5'-AGAA-3' and 5'-GGAA-3' sequences.
;
_citation.year                      2025 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      10.1016/j.bbrc.2025.151354 
_citation.pdbx_database_id_PubMed   39892964 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Nonaka, Y.'   1 ? 
primary 'Hoshino, K.'  2 ? 
primary 'Nakamura, T.' 3 ? 
primary 'Kamitori, S.' 4 ? 
# 
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     syn 
;DNA (5'-D(*(3D1)P*TP*GP*AP*AP*AP*AP*GP*GP*GP*AP*AP*TP*TP*GP*G)-3')
;
4722.097  1  ? ? ? ? 
2 polymer     syn 
;DNA (5'-D(*(THM)P*CP*CP*AP*AP*TP*TP*CP*CP*CP*TP*TP*TP*TP*CP*A)-3')
;
4454.910  1  ? ? ? ? 
3 polymer     man 'Transcription factor Spi-B'                                                  12377.523 1  ? ? ? ? 
4 non-polymer syn '(2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-tetrahydro-2-(hydroxymethyl)furan-3-ol' 251.242   1  ? ? ? ? 
5 non-polymer syn THYMIDINE                                                                     242.229   1  ? ? ? ? 
6 non-polymer syn 'TETRAETHYLENE GLYCOL'                                                        194.226   1  ? ? ? ? 
7 water       nat water                                                                         18.015    47 ? ? ? ? 
# 
loop_
_entity_poly.entity_id 
_entity_poly.type 
_entity_poly.nstd_linkage 
_entity_poly.nstd_monomer 
_entity_poly.pdbx_seq_one_letter_code 
_entity_poly.pdbx_seq_one_letter_code_can 
_entity_poly.pdbx_strand_id 
_entity_poly.pdbx_target_identifier 
1 polydeoxyribonucleotide no no '(DT)(DG)(DA)(DA)(DA)(DA)(DG)(DG)(DG)(DA)(DA)(DT)(DT)(DG)(DG)' TGAAAAGGGAATTGG A ? 
2 polydeoxyribonucleotide no no '(DC)(DC)(DA)(DA)(DT)(DT)(DC)(DC)(DC)(DT)(DT)(DT)(DT)(DC)(DA)' CCAATTCCCTTTTCA B ? 
3 'polypeptide(L)'        no no 
;GSRGSEAGARKKLRLYQFLLGLLLRGDMRECVWWVEPGAGVFQFSSKHKELLARRWGQQKGNRKRMTYQKLARALRNYAK
TGEIRKVKRKLTYQFDSALLPASRHV
;
;GSRGSEAGARKKLRLYQFLLGLLLRGDMRECVWWVEPGAGVFQFSSKHKELLARRWGQQKGNRKRMTYQKLARALRNYAK
TGEIRKVKRKLTYQFDSALLPASRHV
;
C ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
4 '(2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-tetrahydro-2-(hydroxymethyl)furan-3-ol' 3D1 
5 THYMIDINE                                                                     THM 
6 'TETRAETHYLENE GLYCOL'                                                        PG4 
7 water                                                                         HOH 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   DT  n 
1 2   DG  n 
1 3   DA  n 
1 4   DA  n 
1 5   DA  n 
1 6   DA  n 
1 7   DG  n 
1 8   DG  n 
1 9   DG  n 
1 10  DA  n 
1 11  DA  n 
1 12  DT  n 
1 13  DT  n 
1 14  DG  n 
1 15  DG  n 
2 1   DC  n 
2 2   DC  n 
2 3   DA  n 
2 4   DA  n 
2 5   DT  n 
2 6   DT  n 
2 7   DC  n 
2 8   DC  n 
2 9   DC  n 
2 10  DT  n 
2 11  DT  n 
2 12  DT  n 
2 13  DT  n 
2 14  DC  n 
2 15  DA  n 
3 1   GLY n 
3 2   SER n 
3 3   ARG n 
3 4   GLY n 
3 5   SER n 
3 6   GLU n 
3 7   ALA n 
3 8   GLY n 
3 9   ALA n 
3 10  ARG n 
3 11  LYS n 
3 12  LYS n 
3 13  LEU n 
3 14  ARG n 
3 15  LEU n 
3 16  TYR n 
3 17  GLN n 
3 18  PHE n 
3 19  LEU n 
3 20  LEU n 
3 21  GLY n 
3 22  LEU n 
3 23  LEU n 
3 24  LEU n 
3 25  ARG n 
3 26  GLY n 
3 27  ASP n 
3 28  MET n 
3 29  ARG n 
3 30  GLU n 
3 31  CYS n 
3 32  VAL n 
3 33  TRP n 
3 34  TRP n 
3 35  VAL n 
3 36  GLU n 
3 37  PRO n 
3 38  GLY n 
3 39  ALA n 
3 40  GLY n 
3 41  VAL n 
3 42  PHE n 
3 43  GLN n 
3 44  PHE n 
3 45  SER n 
3 46  SER n 
3 47  LYS n 
3 48  HIS n 
3 49  LYS n 
3 50  GLU n 
3 51  LEU n 
3 52  LEU n 
3 53  ALA n 
3 54  ARG n 
3 55  ARG n 
3 56  TRP n 
3 57  GLY n 
3 58  GLN n 
3 59  GLN n 
3 60  LYS n 
3 61  GLY n 
3 62  ASN n 
3 63  ARG n 
3 64  LYS n 
3 65  ARG n 
3 66  MET n 
3 67  THR n 
3 68  TYR n 
3 69  GLN n 
3 70  LYS n 
3 71  LEU n 
3 72  ALA n 
3 73  ARG n 
3 74  ALA n 
3 75  LEU n 
3 76  ARG n 
3 77  ASN n 
3 78  TYR n 
3 79  ALA n 
3 80  LYS n 
3 81  THR n 
3 82  GLY n 
3 83  GLU n 
3 84  ILE n 
3 85  ARG n 
3 86  LYS n 
3 87  VAL n 
3 88  LYS n 
3 89  ARG n 
3 90  LYS n 
3 91  LEU n 
3 92  THR n 
3 93  TYR n 
3 94  GLN n 
3 95  PHE n 
3 96  ASP n 
3 97  SER n 
3 98  ALA n 
3 99  LEU n 
3 100 LEU n 
3 101 PRO n 
3 102 ALA n 
3 103 SER n 
3 104 ARG n 
3 105 HIS n 
3 106 VAL n 
# 
_entity_src_gen.entity_id                          3 
_entity_src_gen.pdbx_src_id                        1 
_entity_src_gen.pdbx_alt_source_flag               sample 
_entity_src_gen.pdbx_seq_type                      'Biological sequence' 
_entity_src_gen.pdbx_beg_seq_num                   1 
_entity_src_gen.pdbx_end_seq_num                   106 
_entity_src_gen.gene_src_common_name               'house mouse' 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 Spib 
_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      'Mus musculus' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     10090 
_entity_src_gen.pdbx_gene_src_variant              ? 
_entity_src_gen.pdbx_gene_src_cell_line            ? 
_entity_src_gen.pdbx_gene_src_atcc                 ? 
_entity_src_gen.pdbx_gene_src_organ                ? 
_entity_src_gen.pdbx_gene_src_organelle            ? 
_entity_src_gen.pdbx_gene_src_cell                 ? 
_entity_src_gen.pdbx_gene_src_cellular_location    ? 
_entity_src_gen.host_org_common_name               ? 
_entity_src_gen.pdbx_host_org_scientific_name      'Escherichia coli BL21' 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     511693 
_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                   ? 
# 
loop_
_pdbx_entity_src_syn.entity_id 
_pdbx_entity_src_syn.pdbx_src_id 
_pdbx_entity_src_syn.pdbx_alt_source_flag 
_pdbx_entity_src_syn.pdbx_beg_seq_num 
_pdbx_entity_src_syn.pdbx_end_seq_num 
_pdbx_entity_src_syn.organism_scientific 
_pdbx_entity_src_syn.organism_common_name 
_pdbx_entity_src_syn.ncbi_taxonomy_id 
_pdbx_entity_src_syn.details 
1 1 sample 1 15 'Mus musculus' ? 10090 ? 
2 1 sample 1 15 'Mus musculus' ? 10090 ? 
# 
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 
3D1 non-polymer               . '(2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-tetrahydro-2-(hydroxymethyl)furan-3-ol' "2'-DEOXYADENOSINE" 
'C10 H13 N5 O3'   251.242 
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 
DA  'DNA linking'             y "2'-DEOXYADENOSINE-5'-MONOPHOSPHATE"                                          ? 'C10 H14 N5 O6 P' 
331.222 
DC  'DNA linking'             y "2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE"                                           ? 'C9 H14 N3 O7 P'  
307.197 
DG  'DNA linking'             y "2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE"                                          ? 'C10 H14 N5 O7 P' 
347.221 
DT  'DNA linking'             y "THYMIDINE-5'-MONOPHOSPHATE"                                                  ? 'C10 H15 N2 O8 P' 
322.208 
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 
PG4 non-polymer               . 'TETRAETHYLENE GLYCOL'                                                        ? 'C8 H18 O5'       
194.226 
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 
THM 'DNA OH 5 prime terminus' . THYMIDINE                                                                     
;DEOXYTHYMIDINE; 2'-DEOXYTHYMIDINE
;
'C10 H14 N2 O5'   242.229 
THR 'L-peptide linking'       y THREONINE                                                                     ? 'C4 H9 N O3'      
119.119 
TRP 'L-peptide linking'       y TRYPTOPHAN                                                                    ? 'C11 H12 N2 O2'   
204.225 
TYR 'L-peptide linking'       y TYROSINE                                                                      ? 'C9 H11 N O3'     
181.189 
VAL 'L-peptide linking'       y VALINE                                                                        ? 'C5 H11 N O2'     
117.146 
# 
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   DT  1   2   2   DT  DT  A . n 
A 1 2   DG  2   3   3   DG  DG  A . n 
A 1 3   DA  3   4   4   DA  DA  A . n 
A 1 4   DA  4   5   5   DA  DA  A . n 
A 1 5   DA  5   6   6   DA  DA  A . n 
A 1 6   DA  6   7   7   DA  DA  A . n 
A 1 7   DG  7   8   8   DG  DG  A . n 
A 1 8   DG  8   9   9   DG  DG  A . n 
A 1 9   DG  9   10  10  DG  DG  A . n 
A 1 10  DA  10  11  11  DA  DA  A . n 
A 1 11  DA  11  12  12  DA  DA  A . n 
A 1 12  DT  12  13  13  DT  DT  A . n 
A 1 13  DT  13  14  14  DT  DT  A . n 
A 1 14  DG  14  15  15  DG  DG  A . n 
A 1 15  DG  15  16  16  DG  DG  A . n 
B 2 1   DC  1   2   2   DC  DC  B . n 
B 2 2   DC  2   3   3   DC  DC  B . n 
B 2 3   DA  3   4   4   DA  DA  B . n 
B 2 4   DA  4   5   5   DA  DA  B . n 
B 2 5   DT  5   6   6   DT  DT  B . n 
B 2 6   DT  6   7   7   DT  DT  B . n 
B 2 7   DC  7   8   8   DC  DC  B . n 
B 2 8   DC  8   9   9   DC  DC  B . n 
B 2 9   DC  9   10  10  DC  DC  B . n 
B 2 10  DT  10  11  11  DT  DT  B . n 
B 2 11  DT  11  12  12  DT  DT  B . n 
B 2 12  DT  12  13  13  DT  DT  B . n 
B 2 13  DT  13  14  14  DT  DT  B . n 
B 2 14  DC  14  15  15  DC  DC  B . n 
B 2 15  DA  15  16  16  DA  DA  B . n 
C 3 1   GLY 1   162 ?   ?   ?   C . n 
C 3 2   SER 2   163 ?   ?   ?   C . n 
C 3 3   ARG 3   164 ?   ?   ?   C . n 
C 3 4   GLY 4   165 ?   ?   ?   C . n 
C 3 5   SER 5   166 ?   ?   ?   C . n 
C 3 6   GLU 6   167 ?   ?   ?   C . n 
C 3 7   ALA 7   168 ?   ?   ?   C . n 
C 3 8   GLY 8   169 169 GLY GLY C . n 
C 3 9   ALA 9   170 170 ALA ALA C . n 
C 3 10  ARG 10  171 171 ARG ARG C . n 
C 3 11  LYS 11  172 172 LYS LYS C . n 
C 3 12  LYS 12  173 173 LYS LYS C . n 
C 3 13  LEU 13  174 174 LEU LEU C . n 
C 3 14  ARG 14  175 175 ARG ARG C . n 
C 3 15  LEU 15  176 176 LEU LEU C . n 
C 3 16  TYR 16  177 177 TYR TYR C . n 
C 3 17  GLN 17  178 178 GLN GLN C . n 
C 3 18  PHE 18  179 179 PHE PHE C . n 
C 3 19  LEU 19  180 180 LEU LEU C . n 
C 3 20  LEU 20  181 181 LEU LEU C . n 
C 3 21  GLY 21  182 182 GLY GLY C . n 
C 3 22  LEU 22  183 183 LEU LEU C . n 
C 3 23  LEU 23  184 184 LEU LEU C . n 
C 3 24  LEU 24  185 185 LEU LEU C . n 
C 3 25  ARG 25  186 186 ARG ARG C . n 
C 3 26  GLY 26  187 187 GLY GLY C . n 
C 3 27  ASP 27  188 188 ASP ASP C . n 
C 3 28  MET 28  189 189 MET MET C . n 
C 3 29  ARG 29  190 190 ARG ARG C . n 
C 3 30  GLU 30  191 191 GLU GLU C . n 
C 3 31  CYS 31  192 192 CYS CYS C . n 
C 3 32  VAL 32  193 193 VAL VAL C . n 
C 3 33  TRP 33  194 194 TRP TRP C . n 
C 3 34  TRP 34  195 195 TRP TRP C . n 
C 3 35  VAL 35  196 196 VAL VAL C . n 
C 3 36  GLU 36  197 197 GLU GLU C . n 
C 3 37  PRO 37  198 198 PRO PRO C . n 
C 3 38  GLY 38  199 199 GLY GLY C . n 
C 3 39  ALA 39  200 200 ALA ALA C . n 
C 3 40  GLY 40  201 201 GLY GLY C . n 
C 3 41  VAL 41  202 202 VAL VAL C . n 
C 3 42  PHE 42  203 203 PHE PHE C . n 
C 3 43  GLN 43  204 204 GLN GLN C . n 
C 3 44  PHE 44  205 205 PHE PHE C . n 
C 3 45  SER 45  206 206 SER SER C . n 
C 3 46  SER 46  207 207 SER SER C . n 
C 3 47  LYS 47  208 208 LYS LYS C . n 
C 3 48  HIS 48  209 209 HIS HIS C . n 
C 3 49  LYS 49  210 210 LYS LYS C . n 
C 3 50  GLU 50  211 211 GLU GLU C . n 
C 3 51  LEU 51  212 212 LEU LEU C . n 
C 3 52  LEU 52  213 213 LEU LEU C . n 
C 3 53  ALA 53  214 214 ALA ALA C . n 
C 3 54  ARG 54  215 215 ARG ARG C . n 
C 3 55  ARG 55  216 216 ARG ARG C . n 
C 3 56  TRP 56  217 217 TRP TRP C . n 
C 3 57  GLY 57  218 218 GLY GLY C . n 
C 3 58  GLN 58  219 219 GLN GLN C . n 
C 3 59  GLN 59  220 220 GLN GLN C . n 
C 3 60  LYS 60  221 221 LYS LYS C . n 
C 3 61  GLY 61  222 222 GLY GLY C . n 
C 3 62  ASN 62  223 223 ASN ASN C . n 
C 3 63  ARG 63  224 224 ARG ARG C . n 
C 3 64  LYS 64  225 225 LYS LYS C . n 
C 3 65  ARG 65  226 226 ARG ARG C . n 
C 3 66  MET 66  227 227 MET MET C . n 
C 3 67  THR 67  228 228 THR THR C . n 
C 3 68  TYR 68  229 229 TYR TYR C . n 
C 3 69  GLN 69  230 230 GLN GLN C . n 
C 3 70  LYS 70  231 231 LYS LYS C . n 
C 3 71  LEU 71  232 232 LEU LEU C . n 
C 3 72  ALA 72  233 233 ALA ALA C . n 
C 3 73  ARG 73  234 234 ARG ARG C . n 
C 3 74  ALA 74  235 235 ALA ALA C . n 
C 3 75  LEU 75  236 236 LEU LEU C . n 
C 3 76  ARG 76  237 237 ARG ARG C . n 
C 3 77  ASN 77  238 238 ASN ASN C . n 
C 3 78  TYR 78  239 239 TYR TYR C . n 
C 3 79  ALA 79  240 240 ALA ALA C . n 
C 3 80  LYS 80  241 241 LYS LYS C . n 
C 3 81  THR 81  242 242 THR THR C . n 
C 3 82  GLY 82  243 243 GLY GLY C . n 
C 3 83  GLU 83  244 244 GLU GLU C . n 
C 3 84  ILE 84  245 245 ILE ILE C . n 
C 3 85  ARG 85  246 246 ARG ARG C . n 
C 3 86  LYS 86  247 247 LYS LYS C . n 
C 3 87  VAL 87  248 248 VAL VAL C . n 
C 3 88  LYS 88  249 249 LYS LYS C . n 
C 3 89  ARG 89  250 250 ARG ARG C . n 
C 3 90  LYS 90  251 251 LYS LYS C . n 
C 3 91  LEU 91  252 252 LEU LEU C . n 
C 3 92  THR 92  253 253 THR THR C . n 
C 3 93  TYR 93  254 254 TYR TYR C . n 
C 3 94  GLN 94  255 255 GLN GLN C . n 
C 3 95  PHE 95  256 256 PHE PHE C . n 
C 3 96  ASP 96  257 257 ASP ASP C . n 
C 3 97  SER 97  258 258 SER SER C . n 
C 3 98  ALA 98  259 259 ALA ALA C . n 
C 3 99  LEU 99  260 260 LEU LEU C . n 
C 3 100 LEU 100 261 261 LEU LEU C . n 
C 3 101 PRO 101 262 262 PRO PRO C . n 
C 3 102 ALA 102 263 263 ALA ALA C . n 
C 3 103 SER 103 264 ?   ?   ?   C . n 
C 3 104 ARG 104 265 ?   ?   ?   C . n 
C 3 105 HIS 105 266 ?   ?   ?   C . n 
C 3 106 VAL 106 267 ?   ?   ?   C . 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 
D 4 3D1 1  101 1  3D1 3D1 A . 
E 5 THM 1  101 1  THM THM B . 
F 6 PG4 1  102 1  PG4 PG4 B . 
G 7 HOH 1  201 28 HOH HOH A . 
G 7 HOH 2  202 10 HOH HOH A . 
G 7 HOH 3  203 43 HOH HOH A . 
G 7 HOH 4  204 39 HOH HOH A . 
G 7 HOH 5  205 29 HOH HOH A . 
G 7 HOH 6  206 21 HOH HOH A . 
G 7 HOH 7  207 33 HOH HOH A . 
G 7 HOH 8  208 34 HOH HOH A . 
H 7 HOH 1  201 12 HOH HOH B . 
H 7 HOH 2  202 25 HOH HOH B . 
H 7 HOH 3  203 22 HOH HOH B . 
H 7 HOH 4  204 9  HOH HOH B . 
H 7 HOH 5  205 17 HOH HOH B . 
H 7 HOH 6  206 35 HOH HOH B . 
H 7 HOH 7  207 15 HOH HOH B . 
H 7 HOH 8  208 40 HOH HOH B . 
H 7 HOH 9  209 14 HOH HOH B . 
H 7 HOH 10 210 4  HOH HOH B . 
H 7 HOH 11 211 18 HOH HOH B . 
H 7 HOH 12 212 13 HOH HOH B . 
H 7 HOH 13 213 27 HOH HOH B . 
H 7 HOH 14 214 44 HOH HOH B . 
I 7 HOH 1  301 19 HOH HOH C . 
I 7 HOH 2  302 1  HOH HOH C . 
I 7 HOH 3  303 7  HOH HOH C . 
I 7 HOH 4  304 8  HOH HOH C . 
I 7 HOH 5  305 3  HOH HOH C . 
I 7 HOH 6  306 5  HOH HOH C . 
I 7 HOH 7  307 31 HOH HOH C . 
I 7 HOH 8  308 6  HOH HOH C . 
I 7 HOH 9  309 30 HOH HOH C . 
I 7 HOH 10 310 23 HOH HOH C . 
I 7 HOH 11 311 2  HOH HOH C . 
I 7 HOH 12 312 16 HOH HOH C . 
I 7 HOH 13 313 20 HOH HOH C . 
I 7 HOH 14 314 24 HOH HOH C . 
I 7 HOH 15 315 37 HOH HOH C . 
I 7 HOH 16 316 41 HOH HOH C . 
I 7 HOH 17 317 36 HOH HOH C . 
I 7 HOH 18 318 26 HOH HOH C . 
I 7 HOH 19 319 11 HOH HOH C . 
I 7 HOH 20 320 45 HOH HOH C . 
I 7 HOH 21 321 46 HOH HOH C . 
I 7 HOH 22 322 38 HOH HOH C . 
I 7 HOH 23 323 47 HOH HOH C . 
I 7 HOH 24 324 42 HOH HOH C . 
I 7 HOH 25 325 32 HOH HOH C . 
# 
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 
? refinement       ? ? ? ? ? ? ? ? ? ? ? PHENIX ? ? ? '(1.19.2_4158: ???)' 1 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? XDS    ? ? ? .                    2 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? XSCALE ? ? ? .                    3 
? phasing          ? ? ? ? ? ? ? ? ? ? ? MOLREP ? ? ? .                    4 
# 
_cell.angle_alpha                  90.00 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   90.00 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  90.00 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     9J1O 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     33.200 
_cell.length_a_esd                 ? 
_cell.length_b                     54.870 
_cell.length_b_esd                 ? 
_cell.length_c                     100.790 
_cell.length_c_esd                 ? 
_cell.volume                       ? 
_cell.volume_esd                   ? 
_cell.Z_PDB                        4 
_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             ? 
_cell.pdbx_esd_method              ? 
# 
_symmetry.entry_id                         9J1O 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                19 
_symmetry.space_group_name_Hall            ? 
_symmetry.space_group_name_H-M             'P 21 21 21' 
_symmetry.pdbx_full_space_group_name_H-M   ? 
# 
_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                   9J1O 
_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             2.13 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          42.24 
_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.pdbx_mosaic_method           ? 
_exptl_crystal.pdbx_mosaic_block_size       ? 
_exptl_crystal.pdbx_mosaic_block_size_esd   ? 
# 
_exptl_crystal_grow.apparatus       ? 
_exptl_crystal_grow.atmosphere      ? 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.details         ? 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, SITTING DROP' 
_exptl_crystal_grow.method_ref      ? 
_exptl_crystal_grow.pH              5.6 
_exptl_crystal_grow.pressure        ? 
_exptl_crystal_grow.pressure_esd    ? 
_exptl_crystal_grow.seeding         ? 
_exptl_crystal_grow.seeding_ref     ? 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.temp_esd        ? 
_exptl_crystal_grow.time            ? 
_exptl_crystal_grow.pdbx_details    '0.1M MES pH5.6, 7.6% PEG8000, 8.0% Ethylene Glycol' 
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            293.15 
# 
_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.pdbx_serial_crystal_experiment   N 
# 
_diffrn_detector.details                      ? 
_diffrn_detector.detector                     PIXEL 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         'DECTRIS PILATUS3 S 2M' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2022-12-13 
_diffrn_detector.pdbx_frequency               ? 
_diffrn_detector.id                           ? 
_diffrn_detector.number_of_axes               ? 
# 
_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   1.0 
_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                        'PHOTON FACTORY BEAMLINE BL-5A' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        1.0 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   BL-5A 
_diffrn_source.pdbx_synchrotron_site       'Photon Factory' 
# 
_reflns.B_iso_Wilson_estimate                          ? 
_reflns.entry_id                                       9J1O 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              2.23 
_reflns.d_resolution_low                               100 
_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                                     9454 
_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                           99.7 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                6.17 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          18.06 
_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                                   0.999 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              0.067 
_reflns.pdbx_Rmerge_I_all                              ? 
_reflns.pdbx_Rsym_value                                ? 
_reflns.pdbx_CC_split_method                           ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_1                 ? 
_reflns.pdbx_aniso_diffraction_limit_2                 ? 
_reflns.pdbx_aniso_diffraction_limit_3                 ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_1               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_2               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_3               ? 
_reflns.pdbx_orthogonalization_convention              ? 
_reflns.pdbx_percent_possible_ellipsoidal              ? 
_reflns.pdbx_percent_possible_spherical                ? 
_reflns.pdbx_percent_possible_ellipsoidal_anomalous    ? 
_reflns.pdbx_percent_possible_spherical_anomalous      ? 
_reflns.pdbx_redundancy_anomalous                      ? 
_reflns.pdbx_CC_half_anomalous                         ? 
_reflns.pdbx_absDiff_over_sigma_anomalous              ? 
_reflns.pdbx_percent_possible_anomalous                ? 
_reflns.pdbx_observed_signal_threshold                 ? 
_reflns.pdbx_signal_type                               ? 
_reflns.pdbx_signal_details                            ? 
_reflns.pdbx_signal_software_id                        ? 
# 
_reflns_shell.d_res_high                                    2.23 
_reflns_shell.d_res_low                                     2.29 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           2.30 
_reflns_shell.number_measured_all                           ? 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             4418 
_reflns_shell.percent_possible_obs                          ? 
_reflns_shell.Rmerge_F_all                                  ? 
_reflns_shell.Rmerge_F_obs                                  ? 
_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                               6.42 
_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                                  0.841 
_reflns_shell.pdbx_CC_star                                  ? 
_reflns_shell.pdbx_R_split                                  ? 
_reflns_shell.percent_possible_all                          99.9 
_reflns_shell.Rmerge_I_all                                  ? 
_reflns_shell.Rmerge_I_obs                                  0.741 
_reflns_shell.pdbx_Rsym_value                               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal             ? 
_reflns_shell.pdbx_percent_possible_spherical               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal_anomalous   ? 
_reflns_shell.pdbx_percent_possible_spherical_anomalous     ? 
_reflns_shell.pdbx_redundancy_anomalous                     ? 
_reflns_shell.pdbx_CC_half_anomalous                        ? 
_reflns_shell.pdbx_absDiff_over_sigma_anomalous             ? 
_reflns_shell.pdbx_percent_possible_anomalous               ? 
# 
_refine.aniso_B[1][1]                            ? 
_refine.aniso_B[1][2]                            ? 
_refine.aniso_B[1][3]                            ? 
_refine.aniso_B[2][2]                            ? 
_refine.aniso_B[2][3]                            ? 
_refine.aniso_B[3][3]                            ? 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               ? 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               ? 
_refine.correlation_coeff_Fo_to_Fc_free          ? 
_refine.details                                  ? 
_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                                 9J1O 
_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                            2.23 
_refine.ls_d_res_low                             37.12 
_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                     9454 
_refine.ls_number_reflns_R_free                  465 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.58 
_refine.ls_percent_reflns_R_free                 4.92 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.2301 
_refine.ls_R_factor_R_free                       0.2751 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.2276 
_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                    'FLAT BULK SOLVENT MODEL' 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_R_complete                          ? 
_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                          1.36 
_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               'FREE R-VALUE' 
_refine.pdbx_method_to_determine_struct          'MOLECULAR REPLACEMENT' 
_refine.pdbx_starting_model                      ? 
_refine.pdbx_stereochemistry_target_values       ML 
_refine.pdbx_R_Free_selection_details            ? 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_overall_ESU_R                       ? 
_refine.pdbx_overall_ESU_R_Free                  ? 
_refine.pdbx_solvent_vdw_probe_radii             1.11 
_refine.pdbx_solvent_ion_probe_radii             ? 
_refine.pdbx_solvent_shrinkage_radii             0.90 
_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                 36.39 
_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                             ? 
_refine.overall_SU_ML                            0.29 
_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.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.cycle_id                         LAST 
_refine_hist.pdbx_number_atoms_protein        792 
_refine_hist.pdbx_number_atoms_nucleic_acid   615 
_refine_hist.pdbx_number_atoms_ligand         48 
_refine_hist.number_atoms_solvent             47 
_refine_hist.number_atoms_total               1502 
_refine_hist.d_res_high                       2.23 
_refine_hist.d_res_low                        37.12 
# 
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  ? 1548 ? f_bond_d           ? ? 
'X-RAY DIFFRACTION' ? 0.867  ? 2208 ? f_angle_d          ? ? 
'X-RAY DIFFRACTION' ? 24.853 ? 654  ? f_dihedral_angle_d ? ? 
'X-RAY DIFFRACTION' ? 0.044  ? 235  ? f_chiral_restr     ? ? 
'X-RAY DIFFRACTION' ? 0.006  ? 166  ? f_plane_restr      ? ? 
# 
loop_
_refine_ls_shell.pdbx_refine_id 
_refine_ls_shell.d_res_high 
_refine_ls_shell.d_res_low 
_refine_ls_shell.number_reflns_all 
_refine_ls_shell.number_reflns_obs 
_refine_ls_shell.number_reflns_R_free 
_refine_ls_shell.number_reflns_R_work 
_refine_ls_shell.percent_reflns_obs 
_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_error 
_refine_ls_shell.R_factor_R_work 
_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_R_complete 
_refine_ls_shell.pdbx_total_number_of_bins_used 
_refine_ls_shell.pdbx_phase_error 
_refine_ls_shell.pdbx_fsc_work 
_refine_ls_shell.pdbx_fsc_free 
_refine_ls_shell.R_factor_R_free 
'X-RAY DIFFRACTION' 2.23 2.55  . . 151 2950 100.00 . . . . 0.2563 . . . . . . . . . . . 0.3381 
'X-RAY DIFFRACTION' 2.55 3.22  . . 145 2965 100.00 . . . . 0.2650 . . . . . . . . . . . 0.3047 
'X-RAY DIFFRACTION' 3.22 37.12 . . 169 3074 99.00  . . . . 0.2085 . . . . . . . . . . . 0.2554 
# 
_struct.entry_id                     9J1O 
_struct.title                        'Mouse Spi-B Ets domain in complex with DNA containing GGAA sequence' 
_struct.pdbx_model_details           ? 
_struct.pdbx_formula_weight          ? 
_struct.pdbx_formula_weight_method   ? 
_struct.pdbx_model_type_details      ? 
_struct.pdbx_CASP_flag               N 
# 
_struct_keywords.entry_id        9J1O 
_struct_keywords.text            'DNA binding, Transcription, Immune system, DNA BINDING PROTEIN' 
_struct_keywords.pdbx_keywords   'DNA BINDING PROTEIN' 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 2 ? 
C N N 3 ? 
D N N 4 ? 
E N N 5 ? 
F N N 6 ? 
G N N 7 ? 
H N N 7 ? 
I N N 7 ? 
# 
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 PDB 9J1O       9J1O   ? 1 ? 1   
2 PDB 9J1O       9J1O   ? 2 ? 1   
3 UNP SPIB_MOUSE O35906 ? 3 
;GSEGRGSEAGARKKLRLYQFLLGLLLRGDMRECVWWVEPGAGVFQFSSKHKELLARRWGQQKGNRKRMTYQKLARALRNY
AKTGEIRKVKRKLTYQFDSALLPASRHV
;
160 
# 
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 9J1O A 1 ? 15  ? 9J1O   2   ? 16  ? 2   16  
2 2 9J1O B 1 ? 15  ? 9J1O   2   ? 16  ? 2   16  
3 3 9J1O C 1 ? 106 ? O35906 160 ? 267 ? 162 267 
# 
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 
3 9J1O ? C ? ? UNP O35906 GLU 162 deletion ? 1 
3 9J1O ? C ? ? UNP O35906 GLY 163 deletion ? 2 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_and_software_defined_assembly 
_pdbx_struct_assembly.method_details       PISA 
_pdbx_struct_assembly.oligomeric_details   trimeric 
_pdbx_struct_assembly.oligomeric_count     3 
# 
loop_
_pdbx_struct_assembly_prop.biol_id 
_pdbx_struct_assembly_prop.type 
_pdbx_struct_assembly_prop.value 
_pdbx_struct_assembly_prop.details 
1 'ABSA (A^2)' 4230  ? 
1 MORE         -21   ? 
1 'SSA (A^2)'  10570 ? 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C,D,E,F,G,H,I 
# 
_pdbx_struct_assembly_auth_evidence.id                     1 
_pdbx_struct_assembly_auth_evidence.assembly_id            1 
_pdbx_struct_assembly_auth_evidence.experimental_support   homology 
_pdbx_struct_assembly_auth_evidence.details                ? 
# 
_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_
_struct_conf.conf_type_id 
_struct_conf.id 
_struct_conf.pdbx_PDB_helix_id 
_struct_conf.beg_label_comp_id 
_struct_conf.beg_label_asym_id 
_struct_conf.beg_label_seq_id 
_struct_conf.pdbx_beg_PDB_ins_code 
_struct_conf.end_label_comp_id 
_struct_conf.end_label_asym_id 
_struct_conf.end_label_seq_id 
_struct_conf.pdbx_end_PDB_ins_code 
_struct_conf.beg_auth_comp_id 
_struct_conf.beg_auth_asym_id 
_struct_conf.beg_auth_seq_id 
_struct_conf.end_auth_comp_id 
_struct_conf.end_auth_asym_id 
_struct_conf.end_auth_seq_id 
_struct_conf.pdbx_PDB_helix_class 
_struct_conf.details 
_struct_conf.pdbx_PDB_helix_length 
HELX_P HELX_P1 AA1 ARG C 14 ? GLY C 26  ? ARG C 175 GLY C 187 1 ? 13 
HELX_P HELX_P2 AA2 PRO C 37 ? ALA C 39  ? PRO C 198 ALA C 200 5 ? 3  
HELX_P HELX_P3 AA3 HIS C 48 ? GLY C 61  ? HIS C 209 GLY C 222 1 ? 14 
HELX_P HELX_P4 AA4 THR C 67 ? ASN C 77  ? THR C 228 ASN C 238 1 ? 11 
HELX_P HELX_P5 AA5 ASN C 77 ? GLY C 82  ? ASN C 238 GLY C 243 1 ? 6  
HELX_P HELX_P6 AA6 SER C 97 ? LEU C 100 ? SER C 258 LEU C 261 5 ? 4  
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
loop_
_struct_conn.id 
_struct_conn.conn_type_id 
_struct_conn.pdbx_leaving_atom_flag 
_struct_conn.pdbx_PDB_id 
_struct_conn.ptnr1_label_asym_id 
_struct_conn.ptnr1_label_comp_id 
_struct_conn.ptnr1_label_seq_id 
_struct_conn.ptnr1_label_atom_id 
_struct_conn.pdbx_ptnr1_label_alt_id 
_struct_conn.pdbx_ptnr1_PDB_ins_code 
_struct_conn.pdbx_ptnr1_standard_comp_id 
_struct_conn.ptnr1_symmetry 
_struct_conn.ptnr2_label_asym_id 
_struct_conn.ptnr2_label_comp_id 
_struct_conn.ptnr2_label_seq_id 
_struct_conn.ptnr2_label_atom_id 
_struct_conn.pdbx_ptnr2_label_alt_id 
_struct_conn.pdbx_ptnr2_PDB_ins_code 
_struct_conn.ptnr1_auth_asym_id 
_struct_conn.ptnr1_auth_comp_id 
_struct_conn.ptnr1_auth_seq_id 
_struct_conn.ptnr2_auth_asym_id 
_struct_conn.ptnr2_auth_comp_id 
_struct_conn.ptnr2_auth_seq_id 
_struct_conn.ptnr2_symmetry 
_struct_conn.pdbx_ptnr3_label_atom_id 
_struct_conn.pdbx_ptnr3_label_seq_id 
_struct_conn.pdbx_ptnr3_label_comp_id 
_struct_conn.pdbx_ptnr3_label_asym_id 
_struct_conn.pdbx_ptnr3_label_alt_id 
_struct_conn.pdbx_ptnr3_PDB_ins_code 
_struct_conn.details 
_struct_conn.pdbx_dist_value 
_struct_conn.pdbx_value_order 
_struct_conn.pdbx_role 
covale1  covale one ? A DT 1  P  ? ? ? 1_555 D 3D1 .  "O3'" ? ? A DT 2  A 3D1 101 1_555 ? ? ? ? ? ? ?            1.605 ? ? 
covale2  covale one ? B DC 1  P  ? ? ? 1_555 E THM .  "O3'" ? ? B DC 2  B THM 101 1_555 ? ? ? ? ? ? ?            1.605 ? ? 
hydrog1  hydrog ?   ? A DT 1  N3 ? ? ? 1_555 B DA  15 N1    ? ? A DT 2  B DA  16  1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog2  hydrog ?   ? A DT 1  O4 ? ? ? 1_555 B DA  15 N6    ? ? A DT 2  B DA  16  1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog3  hydrog ?   ? A DG 2  N1 ? ? ? 1_555 B DC  14 N3    ? ? A DG 3  B DC  15  1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog4  hydrog ?   ? A DG 2  N2 ? ? ? 1_555 B DC  14 O2    ? ? A DG 3  B DC  15  1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog5  hydrog ?   ? A DG 2  O6 ? ? ? 1_555 B DC  14 N4    ? ? A DG 3  B DC  15  1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog6  hydrog ?   ? A DA 3  N1 ? ? ? 1_555 B DT  13 N3    ? ? A DA 4  B DT  14  1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog7  hydrog ?   ? A DA 3  N6 ? ? ? 1_555 B DT  13 O4    ? ? A DA 4  B DT  14  1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog8  hydrog ?   ? A DA 4  N1 ? ? ? 1_555 B DT  12 N3    ? ? A DA 5  B DT  13  1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog9  hydrog ?   ? A DA 4  N6 ? ? ? 1_555 B DT  12 O4    ? ? A DA 5  B DT  13  1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog10 hydrog ?   ? A DA 5  N1 ? ? ? 1_555 B DT  11 N3    ? ? A DA 6  B DT  12  1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog11 hydrog ?   ? A DA 5  N6 ? ? ? 1_555 B DT  11 O4    ? ? A DA 6  B DT  12  1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog12 hydrog ?   ? A DA 6  N1 ? ? ? 1_555 B DT  10 N3    ? ? A DA 7  B DT  11  1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog13 hydrog ?   ? A DA 6  N6 ? ? ? 1_555 B DT  10 O4    ? ? A DA 7  B DT  11  1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog14 hydrog ?   ? A DG 7  N1 ? ? ? 1_555 B DC  9  N3    ? ? A DG 8  B DC  10  1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog15 hydrog ?   ? A DG 7  N2 ? ? ? 1_555 B DC  9  O2    ? ? A DG 8  B DC  10  1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog16 hydrog ?   ? A DG 7  O6 ? ? ? 1_555 B DC  9  N4    ? ? A DG 8  B DC  10  1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog17 hydrog ?   ? A DG 8  N1 ? ? ? 1_555 B DC  8  N3    ? ? A DG 9  B DC  9   1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog18 hydrog ?   ? A DG 8  N2 ? ? ? 1_555 B DC  8  O2    ? ? A DG 9  B DC  9   1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog19 hydrog ?   ? A DG 8  O6 ? ? ? 1_555 B DC  8  N4    ? ? A DG 9  B DC  9   1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog20 hydrog ?   ? A DG 9  N1 ? ? ? 1_555 B DC  7  N3    ? ? A DG 10 B DC  8   1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog21 hydrog ?   ? A DG 9  N2 ? ? ? 1_555 B DC  7  O2    ? ? A DG 10 B DC  8   1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog22 hydrog ?   ? A DG 9  O6 ? ? ? 1_555 B DC  7  N4    ? ? A DG 10 B DC  8   1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog23 hydrog ?   ? A DA 10 N1 ? ? ? 1_555 B DT  6  N3    ? ? A DA 11 B DT  7   1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog24 hydrog ?   ? A DA 10 N6 ? ? ? 1_555 B DT  6  O4    ? ? A DA 11 B DT  7   1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog25 hydrog ?   ? A DA 11 N1 ? ? ? 1_555 B DT  5  N3    ? ? A DA 12 B DT  6   1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog26 hydrog ?   ? A DA 11 N6 ? ? ? 1_555 B DT  5  O4    ? ? A DA 12 B DT  6   1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog27 hydrog ?   ? A DT 12 N3 ? ? ? 1_555 B DA  4  N1    ? ? A DT 13 B DA  5   1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog28 hydrog ?   ? A DT 12 O4 ? ? ? 1_555 B DA  4  N6    ? ? A DT 13 B DA  5   1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog29 hydrog ?   ? A DT 13 N3 ? ? ? 1_555 B DA  3  N1    ? ? A DT 14 B DA  4   1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog30 hydrog ?   ? A DT 13 O4 ? ? ? 1_555 B DA  3  N6    ? ? A DT 14 B DA  4   1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog31 hydrog ?   ? A DG 14 N1 ? ? ? 1_555 B DC  2  N3    ? ? A DG 15 B DC  3   1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog32 hydrog ?   ? A DG 14 N2 ? ? ? 1_555 B DC  2  O2    ? ? A DG 15 B DC  3   1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog33 hydrog ?   ? A DG 14 O6 ? ? ? 1_555 B DC  2  N4    ? ? A DG 15 B DC  3   1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog34 hydrog ?   ? A DG 15 N1 ? ? ? 1_555 B DC  1  N3    ? ? A DG 16 B DC  2   1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog35 hydrog ?   ? A DG 15 N2 ? ? ? 1_555 B DC  1  O2    ? ? A DG 16 B DC  2   1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog36 hydrog ?   ? A DG 15 O6 ? ? ? 1_555 B DC  1  N4    ? ? A DG 16 B DC  2   1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
# 
loop_
_struct_conn_type.id 
_struct_conn_type.criteria 
_struct_conn_type.reference 
covale ? ? 
hydrog ? ? 
# 
_struct_sheet.id               AA1 
_struct_sheet.type             ? 
_struct_sheet.number_strands   4 
_struct_sheet.details          ? 
# 
loop_
_struct_sheet_order.sheet_id 
_struct_sheet_order.range_id_1 
_struct_sheet_order.range_id_2 
_struct_sheet_order.offset 
_struct_sheet_order.sense 
AA1 1 2 ? anti-parallel 
AA1 2 3 ? anti-parallel 
AA1 3 4 ? 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 VAL C 32 ? GLU C 36 ? VAL C 193 GLU C 197 
AA1 2 VAL C 41 ? PHE C 44 ? VAL C 202 PHE C 205 
AA1 3 THR C 92 ? PHE C 95 ? THR C 253 PHE C 256 
AA1 4 ILE C 84 ? LYS C 86 ? ILE C 245 LYS C 247 
# 
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 N VAL C 35 ? N VAL C 196 O VAL C 41 ? O VAL C 202 
AA1 2 3 N PHE C 42 ? N PHE C 203 O TYR C 93 ? O TYR C 254 
AA1 3 4 O GLN C 94 ? O GLN C 255 N ARG C 85 ? N ARG C 246 
# 
_pdbx_entry_details.entry_id                   9J1O 
_pdbx_entry_details.has_ligand_of_interest     N 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.has_protein_modification   N 
# 
_pdbx_validate_rmsd_bond.id                        1 
_pdbx_validate_rmsd_bond.PDB_model_num             1 
_pdbx_validate_rmsd_bond.auth_atom_id_1            "O3'" 
_pdbx_validate_rmsd_bond.auth_asym_id_1            B 
_pdbx_validate_rmsd_bond.auth_comp_id_1            DC 
_pdbx_validate_rmsd_bond.auth_seq_id_1             2 
_pdbx_validate_rmsd_bond.PDB_ins_code_1            ? 
_pdbx_validate_rmsd_bond.label_alt_id_1            ? 
_pdbx_validate_rmsd_bond.auth_atom_id_2            "C3'" 
_pdbx_validate_rmsd_bond.auth_asym_id_2            B 
_pdbx_validate_rmsd_bond.auth_comp_id_2            DC 
_pdbx_validate_rmsd_bond.auth_seq_id_2             2 
_pdbx_validate_rmsd_bond.PDB_ins_code_2            ? 
_pdbx_validate_rmsd_bond.label_alt_id_2            ? 
_pdbx_validate_rmsd_bond.bond_value                1.376 
_pdbx_validate_rmsd_bond.bond_target_value         1.419 
_pdbx_validate_rmsd_bond.bond_deviation            -0.043 
_pdbx_validate_rmsd_bond.bond_standard_deviation   0.006 
_pdbx_validate_rmsd_bond.linker_flag               N 
# 
loop_
_pdbx_validate_rmsd_angle.id 
_pdbx_validate_rmsd_angle.PDB_model_num 
_pdbx_validate_rmsd_angle.auth_atom_id_1 
_pdbx_validate_rmsd_angle.auth_asym_id_1 
_pdbx_validate_rmsd_angle.auth_comp_id_1 
_pdbx_validate_rmsd_angle.auth_seq_id_1 
_pdbx_validate_rmsd_angle.PDB_ins_code_1 
_pdbx_validate_rmsd_angle.label_alt_id_1 
_pdbx_validate_rmsd_angle.auth_atom_id_2 
_pdbx_validate_rmsd_angle.auth_asym_id_2 
_pdbx_validate_rmsd_angle.auth_comp_id_2 
_pdbx_validate_rmsd_angle.auth_seq_id_2 
_pdbx_validate_rmsd_angle.PDB_ins_code_2 
_pdbx_validate_rmsd_angle.label_alt_id_2 
_pdbx_validate_rmsd_angle.auth_atom_id_3 
_pdbx_validate_rmsd_angle.auth_asym_id_3 
_pdbx_validate_rmsd_angle.auth_comp_id_3 
_pdbx_validate_rmsd_angle.auth_seq_id_3 
_pdbx_validate_rmsd_angle.PDB_ins_code_3 
_pdbx_validate_rmsd_angle.label_alt_id_3 
_pdbx_validate_rmsd_angle.angle_value 
_pdbx_validate_rmsd_angle.angle_target_value 
_pdbx_validate_rmsd_angle.angle_deviation 
_pdbx_validate_rmsd_angle.angle_standard_deviation 
_pdbx_validate_rmsd_angle.linker_flag 
1 1 "O4'" A DA 6  ? ? "C1'" A DA 6  ? ? N9 A DA 6  ? ? 110.55 108.30 2.25 0.30 N 
2 1 "O4'" B DA 4  ? ? "C1'" B DA 4  ? ? N9 B DA 4  ? ? 110.41 108.30 2.11 0.30 N 
3 1 "O4'" B DC 10 ? ? "C1'" B DC 10 ? ? N1 B DC 10 ? ? 110.52 108.30 2.22 0.30 N 
# 
loop_
_pdbx_refine_tls.pdbx_refine_id 
_pdbx_refine_tls.id 
_pdbx_refine_tls.details 
_pdbx_refine_tls.method 
_pdbx_refine_tls.origin_x 
_pdbx_refine_tls.origin_y 
_pdbx_refine_tls.origin_z 
_pdbx_refine_tls.T[1][1] 
_pdbx_refine_tls.T[2][2] 
_pdbx_refine_tls.T[3][3] 
_pdbx_refine_tls.T[1][2] 
_pdbx_refine_tls.T[1][3] 
_pdbx_refine_tls.T[2][3] 
_pdbx_refine_tls.L[1][1] 
_pdbx_refine_tls.L[2][2] 
_pdbx_refine_tls.L[3][3] 
_pdbx_refine_tls.L[1][2] 
_pdbx_refine_tls.L[1][3] 
_pdbx_refine_tls.L[2][3] 
_pdbx_refine_tls.S[1][1] 
_pdbx_refine_tls.S[2][2] 
_pdbx_refine_tls.S[3][3] 
_pdbx_refine_tls.S[1][2] 
_pdbx_refine_tls.S[1][3] 
_pdbx_refine_tls.S[2][3] 
_pdbx_refine_tls.S[2][1] 
_pdbx_refine_tls.S[3][1] 
_pdbx_refine_tls.S[3][2] 
'X-RAY DIFFRACTION' 1 ? refined -11.355 1.886   13.849 0.5944 0.9095 0.3023 -0.0436 0.0793  -0.0910 1.3618 0.3568 3.9789 0.4338  
-2.0569 -0.4246 0.3416  0.1857 -0.4981 -0.1398 0.3463 0.0371  -0.0668 -0.2725 0.1773 
'X-RAY DIFFRACTION' 2 ? refined -11.942 0.567   11.333 0.5320 1.0827 0.2163 0.0649  0.0480  -0.0454 1.3387 1.1607 6.7236 0.4347  
-2.3140 0.3100  0.3996  0.6140 -0.1628 -0.4450 1.2748 -0.1682 0.3886  -0.4355 0.1561 
'X-RAY DIFFRACTION' 3 ? refined -1.391  -10.298 10.017 0.3372 0.7088 0.1577 0.0014  -0.0256 -0.0436 1.2439 3.2215 0.9301 -0.3261 
0.2233  0.0124  -0.0436 0.0347 -0.0156 -0.3089 0.0834 -0.1846 0.3219  0.0131  0.0379 
# 
loop_
_pdbx_refine_tls_group.pdbx_refine_id 
_pdbx_refine_tls_group.id 
_pdbx_refine_tls_group.refine_tls_id 
_pdbx_refine_tls_group.beg_auth_asym_id 
_pdbx_refine_tls_group.beg_auth_seq_id 
_pdbx_refine_tls_group.end_auth_asym_id 
_pdbx_refine_tls_group.end_auth_seq_id 
_pdbx_refine_tls_group.selection_details 
_pdbx_refine_tls_group.beg_label_asym_id 
_pdbx_refine_tls_group.beg_label_seq_id 
_pdbx_refine_tls_group.end_label_asym_id 
_pdbx_refine_tls_group.end_label_seq_id 
_pdbx_refine_tls_group.selection 
'X-RAY DIFFRACTION' 1 1 A 2   A 16  '( CHAIN A AND RESID 2:16 )'    ? ? ? ? ? 
'X-RAY DIFFRACTION' 2 2 B 2   B 16  '( CHAIN B AND RESID 2:16 )'    ? ? ? ? ? 
'X-RAY DIFFRACTION' 3 3 C 169 C 263 '( CHAIN C AND RESID 169:263 )' ? ? ? ? ? 
# 
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 C GLY 162 ? C GLY 1   
2  1 Y 1 C SER 163 ? C SER 2   
3  1 Y 1 C ARG 164 ? C ARG 3   
4  1 Y 1 C GLY 165 ? C GLY 4   
5  1 Y 1 C SER 166 ? C SER 5   
6  1 Y 1 C GLU 167 ? C GLU 6   
7  1 Y 1 C ALA 168 ? C ALA 7   
8  1 Y 1 C SER 264 ? C SER 103 
9  1 Y 1 C ARG 265 ? C ARG 104 
10 1 Y 1 C HIS 266 ? C HIS 105 
11 1 Y 1 C VAL 267 ? C VAL 106 
# 
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.pdbx_ordinal 
3D1 "O5'"  O N N 1   
3D1 "C5'"  C N N 2   
3D1 "C4'"  C N R 3   
3D1 "O4'"  O N N 4   
3D1 "C1'"  C N R 5   
3D1 N9     N Y N 6   
3D1 C4     C Y N 7   
3D1 N3     N Y N 8   
3D1 C2     C Y N 9   
3D1 N1     N Y N 10  
3D1 C6     C Y N 11  
3D1 N6     N N N 12  
3D1 C5     C Y N 13  
3D1 N7     N Y N 14  
3D1 C8     C Y N 15  
3D1 "C2'"  C N N 16  
3D1 "C3'"  C N S 17  
3D1 "O3'"  O N N 18  
3D1 "H5'"  H N N 19  
3D1 "H5'1" H N N 20  
3D1 "H5'2" H N N 21  
3D1 "H4'"  H N N 22  
3D1 "H1'"  H N N 23  
3D1 H2     H N N 24  
3D1 HN61   H N N 25  
3D1 HN62   H N N 26  
3D1 H8     H N N 27  
3D1 "H2'1" H N N 28  
3D1 "H2'2" H N N 29  
3D1 "H3'"  H N N 30  
3D1 H1     H N N 31  
ALA N      N N N 32  
ALA CA     C N S 33  
ALA C      C N N 34  
ALA O      O N N 35  
ALA CB     C N N 36  
ALA OXT    O N N 37  
ALA H      H N N 38  
ALA H2     H N N 39  
ALA HA     H N N 40  
ALA HB1    H N N 41  
ALA HB2    H N N 42  
ALA HB3    H N N 43  
ALA HXT    H N N 44  
ARG N      N N N 45  
ARG CA     C N S 46  
ARG C      C N N 47  
ARG O      O N N 48  
ARG CB     C N N 49  
ARG CG     C N N 50  
ARG CD     C N N 51  
ARG NE     N N N 52  
ARG CZ     C N N 53  
ARG NH1    N N N 54  
ARG NH2    N N N 55  
ARG OXT    O N N 56  
ARG H      H N N 57  
ARG H2     H N N 58  
ARG HA     H N N 59  
ARG HB2    H N N 60  
ARG HB3    H N N 61  
ARG HG2    H N N 62  
ARG HG3    H N N 63  
ARG HD2    H N N 64  
ARG HD3    H N N 65  
ARG HE     H N N 66  
ARG HH11   H N N 67  
ARG HH12   H N N 68  
ARG HH21   H N N 69  
ARG HH22   H N N 70  
ARG HXT    H N N 71  
ASN N      N N N 72  
ASN CA     C N S 73  
ASN C      C N N 74  
ASN O      O N N 75  
ASN CB     C N N 76  
ASN CG     C N N 77  
ASN OD1    O N N 78  
ASN ND2    N N N 79  
ASN OXT    O N N 80  
ASN H      H N N 81  
ASN H2     H N N 82  
ASN HA     H N N 83  
ASN HB2    H N N 84  
ASN HB3    H N N 85  
ASN HD21   H N N 86  
ASN HD22   H N N 87  
ASN HXT    H N N 88  
ASP N      N N N 89  
ASP CA     C N S 90  
ASP C      C N N 91  
ASP O      O N N 92  
ASP CB     C N N 93  
ASP CG     C N N 94  
ASP OD1    O N N 95  
ASP OD2    O N N 96  
ASP OXT    O N N 97  
ASP H      H N N 98  
ASP H2     H N N 99  
ASP HA     H N N 100 
ASP HB2    H N N 101 
ASP HB3    H N N 102 
ASP HD2    H N N 103 
ASP HXT    H N N 104 
CYS N      N N N 105 
CYS CA     C N R 106 
CYS C      C N N 107 
CYS O      O N N 108 
CYS CB     C N N 109 
CYS SG     S N N 110 
CYS OXT    O N N 111 
CYS H      H N N 112 
CYS H2     H N N 113 
CYS HA     H N N 114 
CYS HB2    H N N 115 
CYS HB3    H N N 116 
CYS HG     H N N 117 
CYS HXT    H N N 118 
DA  OP3    O N N 119 
DA  P      P N N 120 
DA  OP1    O N N 121 
DA  OP2    O N N 122 
DA  "O5'"  O N N 123 
DA  "C5'"  C N N 124 
DA  "C4'"  C N R 125 
DA  "O4'"  O N N 126 
DA  "C3'"  C N S 127 
DA  "O3'"  O N N 128 
DA  "C2'"  C N N 129 
DA  "C1'"  C N R 130 
DA  N9     N Y N 131 
DA  C8     C Y N 132 
DA  N7     N Y N 133 
DA  C5     C Y N 134 
DA  C6     C Y N 135 
DA  N6     N N N 136 
DA  N1     N Y N 137 
DA  C2     C Y N 138 
DA  N3     N Y N 139 
DA  C4     C Y N 140 
DA  HOP3   H N N 141 
DA  HOP2   H N N 142 
DA  "H5'"  H N N 143 
DA  "H5''" H N N 144 
DA  "H4'"  H N N 145 
DA  "H3'"  H N N 146 
DA  "HO3'" H N N 147 
DA  "H2'"  H N N 148 
DA  "H2''" H N N 149 
DA  "H1'"  H N N 150 
DA  H8     H N N 151 
DA  H61    H N N 152 
DA  H62    H N N 153 
DA  H2     H N N 154 
DC  OP3    O N N 155 
DC  P      P N N 156 
DC  OP1    O N N 157 
DC  OP2    O N N 158 
DC  "O5'"  O N N 159 
DC  "C5'"  C N N 160 
DC  "C4'"  C N R 161 
DC  "O4'"  O N N 162 
DC  "C3'"  C N S 163 
DC  "O3'"  O N N 164 
DC  "C2'"  C N N 165 
DC  "C1'"  C N R 166 
DC  N1     N N N 167 
DC  C2     C N N 168 
DC  O2     O N N 169 
DC  N3     N N N 170 
DC  C4     C N N 171 
DC  N4     N N N 172 
DC  C5     C N N 173 
DC  C6     C N N 174 
DC  HOP3   H N N 175 
DC  HOP2   H N N 176 
DC  "H5'"  H N N 177 
DC  "H5''" H N N 178 
DC  "H4'"  H N N 179 
DC  "H3'"  H N N 180 
DC  "HO3'" H N N 181 
DC  "H2'"  H N N 182 
DC  "H2''" H N N 183 
DC  "H1'"  H N N 184 
DC  H41    H N N 185 
DC  H42    H N N 186 
DC  H5     H N N 187 
DC  H6     H N N 188 
DG  OP3    O N N 189 
DG  P      P N N 190 
DG  OP1    O N N 191 
DG  OP2    O N N 192 
DG  "O5'"  O N N 193 
DG  "C5'"  C N N 194 
DG  "C4'"  C N R 195 
DG  "O4'"  O N N 196 
DG  "C3'"  C N S 197 
DG  "O3'"  O N N 198 
DG  "C2'"  C N N 199 
DG  "C1'"  C N R 200 
DG  N9     N Y N 201 
DG  C8     C Y N 202 
DG  N7     N Y N 203 
DG  C5     C Y N 204 
DG  C6     C N N 205 
DG  O6     O N N 206 
DG  N1     N N N 207 
DG  C2     C N N 208 
DG  N2     N N N 209 
DG  N3     N N N 210 
DG  C4     C Y N 211 
DG  HOP3   H N N 212 
DG  HOP2   H N N 213 
DG  "H5'"  H N N 214 
DG  "H5''" H N N 215 
DG  "H4'"  H N N 216 
DG  "H3'"  H N N 217 
DG  "HO3'" H N N 218 
DG  "H2'"  H N N 219 
DG  "H2''" H N N 220 
DG  "H1'"  H N N 221 
DG  H8     H N N 222 
DG  H1     H N N 223 
DG  H21    H N N 224 
DG  H22    H N N 225 
DT  OP3    O N N 226 
DT  P      P N N 227 
DT  OP1    O N N 228 
DT  OP2    O N N 229 
DT  "O5'"  O N N 230 
DT  "C5'"  C N N 231 
DT  "C4'"  C N R 232 
DT  "O4'"  O N N 233 
DT  "C3'"  C N S 234 
DT  "O3'"  O N N 235 
DT  "C2'"  C N N 236 
DT  "C1'"  C N R 237 
DT  N1     N N N 238 
DT  C2     C N N 239 
DT  O2     O N N 240 
DT  N3     N N N 241 
DT  C4     C N N 242 
DT  O4     O N N 243 
DT  C5     C N N 244 
DT  C7     C N N 245 
DT  C6     C N N 246 
DT  HOP3   H N N 247 
DT  HOP2   H N N 248 
DT  "H5'"  H N N 249 
DT  "H5''" H N N 250 
DT  "H4'"  H N N 251 
DT  "H3'"  H N N 252 
DT  "HO3'" H N N 253 
DT  "H2'"  H N N 254 
DT  "H2''" H N N 255 
DT  "H1'"  H N N 256 
DT  H3     H N N 257 
DT  H71    H N N 258 
DT  H72    H N N 259 
DT  H73    H N N 260 
DT  H6     H N N 261 
GLN N      N N N 262 
GLN CA     C N S 263 
GLN C      C N N 264 
GLN O      O N N 265 
GLN CB     C N N 266 
GLN CG     C N N 267 
GLN CD     C N N 268 
GLN OE1    O N N 269 
GLN NE2    N N N 270 
GLN OXT    O N N 271 
GLN H      H N N 272 
GLN H2     H N N 273 
GLN HA     H N N 274 
GLN HB2    H N N 275 
GLN HB3    H N N 276 
GLN HG2    H N N 277 
GLN HG3    H N N 278 
GLN HE21   H N N 279 
GLN HE22   H N N 280 
GLN HXT    H N N 281 
GLU N      N N N 282 
GLU CA     C N S 283 
GLU C      C N N 284 
GLU O      O N N 285 
GLU CB     C N N 286 
GLU CG     C N N 287 
GLU CD     C N N 288 
GLU OE1    O N N 289 
GLU OE2    O N N 290 
GLU OXT    O N N 291 
GLU H      H N N 292 
GLU H2     H N N 293 
GLU HA     H N N 294 
GLU HB2    H N N 295 
GLU HB3    H N N 296 
GLU HG2    H N N 297 
GLU HG3    H N N 298 
GLU HE2    H N N 299 
GLU HXT    H N N 300 
GLY N      N N N 301 
GLY CA     C N N 302 
GLY C      C N N 303 
GLY O      O N N 304 
GLY OXT    O N N 305 
GLY H      H N N 306 
GLY H2     H N N 307 
GLY HA2    H N N 308 
GLY HA3    H N N 309 
GLY HXT    H N N 310 
HIS N      N N N 311 
HIS CA     C N S 312 
HIS C      C N N 313 
HIS O      O N N 314 
HIS CB     C N N 315 
HIS CG     C Y N 316 
HIS ND1    N Y N 317 
HIS CD2    C Y N 318 
HIS CE1    C Y N 319 
HIS NE2    N Y N 320 
HIS OXT    O N N 321 
HIS H      H N N 322 
HIS H2     H N N 323 
HIS HA     H N N 324 
HIS HB2    H N N 325 
HIS HB3    H N N 326 
HIS HD1    H N N 327 
HIS HD2    H N N 328 
HIS HE1    H N N 329 
HIS HE2    H N N 330 
HIS HXT    H N N 331 
HOH O      O N N 332 
HOH H1     H N N 333 
HOH H2     H N N 334 
ILE N      N N N 335 
ILE CA     C N S 336 
ILE C      C N N 337 
ILE O      O N N 338 
ILE CB     C N S 339 
ILE CG1    C N N 340 
ILE CG2    C N N 341 
ILE CD1    C N N 342 
ILE OXT    O N N 343 
ILE H      H N N 344 
ILE H2     H N N 345 
ILE HA     H N N 346 
ILE HB     H N N 347 
ILE HG12   H N N 348 
ILE HG13   H N N 349 
ILE HG21   H N N 350 
ILE HG22   H N N 351 
ILE HG23   H N N 352 
ILE HD11   H N N 353 
ILE HD12   H N N 354 
ILE HD13   H N N 355 
ILE HXT    H N N 356 
LEU N      N N N 357 
LEU CA     C N S 358 
LEU C      C N N 359 
LEU O      O N N 360 
LEU CB     C N N 361 
LEU CG     C N N 362 
LEU CD1    C N N 363 
LEU CD2    C N N 364 
LEU OXT    O N N 365 
LEU H      H N N 366 
LEU H2     H N N 367 
LEU HA     H N N 368 
LEU HB2    H N N 369 
LEU HB3    H N N 370 
LEU HG     H N N 371 
LEU HD11   H N N 372 
LEU HD12   H N N 373 
LEU HD13   H N N 374 
LEU HD21   H N N 375 
LEU HD22   H N N 376 
LEU HD23   H N N 377 
LEU HXT    H N N 378 
LYS N      N N N 379 
LYS CA     C N S 380 
LYS C      C N N 381 
LYS O      O N N 382 
LYS CB     C N N 383 
LYS CG     C N N 384 
LYS CD     C N N 385 
LYS CE     C N N 386 
LYS NZ     N N N 387 
LYS OXT    O N N 388 
LYS H      H N N 389 
LYS H2     H N N 390 
LYS HA     H N N 391 
LYS HB2    H N N 392 
LYS HB3    H N N 393 
LYS HG2    H N N 394 
LYS HG3    H N N 395 
LYS HD2    H N N 396 
LYS HD3    H N N 397 
LYS HE2    H N N 398 
LYS HE3    H N N 399 
LYS HZ1    H N N 400 
LYS HZ2    H N N 401 
LYS HZ3    H N N 402 
LYS HXT    H N N 403 
MET N      N N N 404 
MET CA     C N S 405 
MET C      C N N 406 
MET O      O N N 407 
MET CB     C N N 408 
MET CG     C N N 409 
MET SD     S N N 410 
MET CE     C N N 411 
MET OXT    O N N 412 
MET H      H N N 413 
MET H2     H N N 414 
MET HA     H N N 415 
MET HB2    H N N 416 
MET HB3    H N N 417 
MET HG2    H N N 418 
MET HG3    H N N 419 
MET HE1    H N N 420 
MET HE2    H N N 421 
MET HE3    H N N 422 
MET HXT    H N N 423 
PG4 O1     O N N 424 
PG4 C1     C N N 425 
PG4 C2     C N N 426 
PG4 O2     O N N 427 
PG4 C3     C N N 428 
PG4 C4     C N N 429 
PG4 O3     O N N 430 
PG4 C5     C N N 431 
PG4 C6     C N N 432 
PG4 O4     O N N 433 
PG4 C7     C N N 434 
PG4 C8     C N N 435 
PG4 O5     O N N 436 
PG4 HO1    H N N 437 
PG4 H11    H N N 438 
PG4 H12    H N N 439 
PG4 H21    H N N 440 
PG4 H22    H N N 441 
PG4 H31    H N N 442 
PG4 H32    H N N 443 
PG4 H41    H N N 444 
PG4 H42    H N N 445 
PG4 H51    H N N 446 
PG4 H52    H N N 447 
PG4 H61    H N N 448 
PG4 H62    H N N 449 
PG4 H71    H N N 450 
PG4 H72    H N N 451 
PG4 H81    H N N 452 
PG4 H82    H N N 453 
PG4 HO5    H N N 454 
PHE N      N N N 455 
PHE CA     C N S 456 
PHE C      C N N 457 
PHE O      O N N 458 
PHE CB     C N N 459 
PHE CG     C Y N 460 
PHE CD1    C Y N 461 
PHE CD2    C Y N 462 
PHE CE1    C Y N 463 
PHE CE2    C Y N 464 
PHE CZ     C Y N 465 
PHE OXT    O N N 466 
PHE H      H N N 467 
PHE H2     H N N 468 
PHE HA     H N N 469 
PHE HB2    H N N 470 
PHE HB3    H N N 471 
PHE HD1    H N N 472 
PHE HD2    H N N 473 
PHE HE1    H N N 474 
PHE HE2    H N N 475 
PHE HZ     H N N 476 
PHE HXT    H N N 477 
PRO N      N N N 478 
PRO CA     C N S 479 
PRO C      C N N 480 
PRO O      O N N 481 
PRO CB     C N N 482 
PRO CG     C N N 483 
PRO CD     C N N 484 
PRO OXT    O N N 485 
PRO H      H N N 486 
PRO HA     H N N 487 
PRO HB2    H N N 488 
PRO HB3    H N N 489 
PRO HG2    H N N 490 
PRO HG3    H N N 491 
PRO HD2    H N N 492 
PRO HD3    H N N 493 
PRO HXT    H N N 494 
SER N      N N N 495 
SER CA     C N S 496 
SER C      C N N 497 
SER O      O N N 498 
SER CB     C N N 499 
SER OG     O N N 500 
SER OXT    O N N 501 
SER H      H N N 502 
SER H2     H N N 503 
SER HA     H N N 504 
SER HB2    H N N 505 
SER HB3    H N N 506 
SER HG     H N N 507 
SER HXT    H N N 508 
THM "O5'"  O N N 509 
THM "C5'"  C N N 510 
THM "C4'"  C N R 511 
THM "O4'"  O N N 512 
THM "C3'"  C N S 513 
THM "O3'"  O N N 514 
THM "C2'"  C N N 515 
THM "C1'"  C N R 516 
THM N1     N N N 517 
THM C2     C N N 518 
THM O2     O N N 519 
THM N3     N N N 520 
THM C4     C N N 521 
THM O4     O N N 522 
THM C5     C N N 523 
THM C5M    C N N 524 
THM C6     C N N 525 
THM "HO5'" H N N 526 
THM "H5'1" H N N 527 
THM "H5'2" H N N 528 
THM "H4'"  H N N 529 
THM "H3'"  H N N 530 
THM "HO3'" H N N 531 
THM "H2'1" H N N 532 
THM "H2'2" H N N 533 
THM "H1'"  H N N 534 
THM HN3    H N N 535 
THM HM51   H N N 536 
THM HM52   H N N 537 
THM HM53   H N N 538 
THM H6     H N N 539 
THR N      N N N 540 
THR CA     C N S 541 
THR C      C N N 542 
THR O      O N N 543 
THR CB     C N R 544 
THR OG1    O N N 545 
THR CG2    C N N 546 
THR OXT    O N N 547 
THR H      H N N 548 
THR H2     H N N 549 
THR HA     H N N 550 
THR HB     H N N 551 
THR HG1    H N N 552 
THR HG21   H N N 553 
THR HG22   H N N 554 
THR HG23   H N N 555 
THR HXT    H N N 556 
TRP N      N N N 557 
TRP CA     C N S 558 
TRP C      C N N 559 
TRP O      O N N 560 
TRP CB     C N N 561 
TRP CG     C Y N 562 
TRP CD1    C Y N 563 
TRP CD2    C Y N 564 
TRP NE1    N Y N 565 
TRP CE2    C Y N 566 
TRP CE3    C Y N 567 
TRP CZ2    C Y N 568 
TRP CZ3    C Y N 569 
TRP CH2    C Y N 570 
TRP OXT    O N N 571 
TRP H      H N N 572 
TRP H2     H N N 573 
TRP HA     H N N 574 
TRP HB2    H N N 575 
TRP HB3    H N N 576 
TRP HD1    H N N 577 
TRP HE1    H N N 578 
TRP HE3    H N N 579 
TRP HZ2    H N N 580 
TRP HZ3    H N N 581 
TRP HH2    H N N 582 
TRP HXT    H N N 583 
TYR N      N N N 584 
TYR CA     C N S 585 
TYR C      C N N 586 
TYR O      O N N 587 
TYR CB     C N N 588 
TYR CG     C Y N 589 
TYR CD1    C Y N 590 
TYR CD2    C Y N 591 
TYR CE1    C Y N 592 
TYR CE2    C Y N 593 
TYR CZ     C Y N 594 
TYR OH     O N N 595 
TYR OXT    O N N 596 
TYR H      H N N 597 
TYR H2     H N N 598 
TYR HA     H N N 599 
TYR HB2    H N N 600 
TYR HB3    H N N 601 
TYR HD1    H N N 602 
TYR HD2    H N N 603 
TYR HE1    H N N 604 
TYR HE2    H N N 605 
TYR HH     H N N 606 
TYR HXT    H N N 607 
VAL N      N N N 608 
VAL CA     C N S 609 
VAL C      C N N 610 
VAL O      O N N 611 
VAL CB     C N N 612 
VAL CG1    C N N 613 
VAL CG2    C N N 614 
VAL OXT    O N N 615 
VAL H      H N N 616 
VAL H2     H N N 617 
VAL HA     H N N 618 
VAL HB     H N N 619 
VAL HG11   H N N 620 
VAL HG12   H N N 621 
VAL HG13   H N N 622 
VAL HG21   H N N 623 
VAL HG22   H N N 624 
VAL HG23   H N N 625 
VAL HXT    H N N 626 
# 
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal 
3D1 "O5'" "C5'"  sing N N 1   
3D1 "O5'" "H5'"  sing N N 2   
3D1 "C5'" "C4'"  sing N N 3   
3D1 "C5'" "H5'1" sing N N 4   
3D1 "C5'" "H5'2" sing N N 5   
3D1 "C4'" "O4'"  sing N N 6   
3D1 "C4'" "C3'"  sing N N 7   
3D1 "C4'" "H4'"  sing N N 8   
3D1 "O4'" "C1'"  sing N N 9   
3D1 "C1'" N9     sing N N 10  
3D1 "C1'" "C2'"  sing N N 11  
3D1 "C1'" "H1'"  sing N N 12  
3D1 N9    C4     sing Y N 13  
3D1 N9    C8     sing Y N 14  
3D1 C4    N3     doub Y N 15  
3D1 C4    C5     sing Y N 16  
3D1 N3    C2     sing Y N 17  
3D1 C2    N1     doub Y N 18  
3D1 C2    H2     sing N N 19  
3D1 N1    C6     sing Y N 20  
3D1 C6    N6     sing N N 21  
3D1 C6    C5     doub Y N 22  
3D1 N6    HN61   sing N N 23  
3D1 N6    HN62   sing N N 24  
3D1 C5    N7     sing Y N 25  
3D1 N7    C8     doub Y N 26  
3D1 C8    H8     sing N N 27  
3D1 "C2'" "C3'"  sing N N 28  
3D1 "C2'" "H2'1" sing N N 29  
3D1 "C2'" "H2'2" sing N N 30  
3D1 "C3'" "O3'"  sing N N 31  
3D1 "C3'" "H3'"  sing N N 32  
3D1 "O3'" H1     sing N N 33  
ALA N     CA     sing N N 34  
ALA N     H      sing N N 35  
ALA N     H2     sing N N 36  
ALA CA    C      sing N N 37  
ALA CA    CB     sing N N 38  
ALA CA    HA     sing N N 39  
ALA C     O      doub N N 40  
ALA C     OXT    sing N N 41  
ALA CB    HB1    sing N N 42  
ALA CB    HB2    sing N N 43  
ALA CB    HB3    sing N N 44  
ALA OXT   HXT    sing N N 45  
ARG N     CA     sing N N 46  
ARG N     H      sing N N 47  
ARG N     H2     sing N N 48  
ARG CA    C      sing N N 49  
ARG CA    CB     sing N N 50  
ARG CA    HA     sing N N 51  
ARG C     O      doub N N 52  
ARG C     OXT    sing N N 53  
ARG CB    CG     sing N N 54  
ARG CB    HB2    sing N N 55  
ARG CB    HB3    sing N N 56  
ARG CG    CD     sing N N 57  
ARG CG    HG2    sing N N 58  
ARG CG    HG3    sing N N 59  
ARG CD    NE     sing N N 60  
ARG CD    HD2    sing N N 61  
ARG CD    HD3    sing N N 62  
ARG NE    CZ     sing N N 63  
ARG NE    HE     sing N N 64  
ARG CZ    NH1    sing N N 65  
ARG CZ    NH2    doub N N 66  
ARG NH1   HH11   sing N N 67  
ARG NH1   HH12   sing N N 68  
ARG NH2   HH21   sing N N 69  
ARG NH2   HH22   sing N N 70  
ARG OXT   HXT    sing N N 71  
ASN N     CA     sing N N 72  
ASN N     H      sing N N 73  
ASN N     H2     sing N N 74  
ASN CA    C      sing N N 75  
ASN CA    CB     sing N N 76  
ASN CA    HA     sing N N 77  
ASN C     O      doub N N 78  
ASN C     OXT    sing N N 79  
ASN CB    CG     sing N N 80  
ASN CB    HB2    sing N N 81  
ASN CB    HB3    sing N N 82  
ASN CG    OD1    doub N N 83  
ASN CG    ND2    sing N N 84  
ASN ND2   HD21   sing N N 85  
ASN ND2   HD22   sing N N 86  
ASN OXT   HXT    sing N N 87  
ASP N     CA     sing N N 88  
ASP N     H      sing N N 89  
ASP N     H2     sing N N 90  
ASP CA    C      sing N N 91  
ASP CA    CB     sing N N 92  
ASP CA    HA     sing N N 93  
ASP C     O      doub N N 94  
ASP C     OXT    sing N N 95  
ASP CB    CG     sing N N 96  
ASP CB    HB2    sing N N 97  
ASP CB    HB3    sing N N 98  
ASP CG    OD1    doub N N 99  
ASP CG    OD2    sing N N 100 
ASP OD2   HD2    sing N N 101 
ASP OXT   HXT    sing N N 102 
CYS N     CA     sing N N 103 
CYS N     H      sing N N 104 
CYS N     H2     sing N N 105 
CYS CA    C      sing N N 106 
CYS CA    CB     sing N N 107 
CYS CA    HA     sing N N 108 
CYS C     O      doub N N 109 
CYS C     OXT    sing N N 110 
CYS CB    SG     sing N N 111 
CYS CB    HB2    sing N N 112 
CYS CB    HB3    sing N N 113 
CYS SG    HG     sing N N 114 
CYS OXT   HXT    sing N N 115 
DA  OP3   P      sing N N 116 
DA  OP3   HOP3   sing N N 117 
DA  P     OP1    doub N N 118 
DA  P     OP2    sing N N 119 
DA  P     "O5'"  sing N N 120 
DA  OP2   HOP2   sing N N 121 
DA  "O5'" "C5'"  sing N N 122 
DA  "C5'" "C4'"  sing N N 123 
DA  "C5'" "H5'"  sing N N 124 
DA  "C5'" "H5''" sing N N 125 
DA  "C4'" "O4'"  sing N N 126 
DA  "C4'" "C3'"  sing N N 127 
DA  "C4'" "H4'"  sing N N 128 
DA  "O4'" "C1'"  sing N N 129 
DA  "C3'" "O3'"  sing N N 130 
DA  "C3'" "C2'"  sing N N 131 
DA  "C3'" "H3'"  sing N N 132 
DA  "O3'" "HO3'" sing N N 133 
DA  "C2'" "C1'"  sing N N 134 
DA  "C2'" "H2'"  sing N N 135 
DA  "C2'" "H2''" sing N N 136 
DA  "C1'" N9     sing N N 137 
DA  "C1'" "H1'"  sing N N 138 
DA  N9    C8     sing Y N 139 
DA  N9    C4     sing Y N 140 
DA  C8    N7     doub Y N 141 
DA  C8    H8     sing N N 142 
DA  N7    C5     sing Y N 143 
DA  C5    C6     sing Y N 144 
DA  C5    C4     doub Y N 145 
DA  C6    N6     sing N N 146 
DA  C6    N1     doub Y N 147 
DA  N6    H61    sing N N 148 
DA  N6    H62    sing N N 149 
DA  N1    C2     sing Y N 150 
DA  C2    N3     doub Y N 151 
DA  C2    H2     sing N N 152 
DA  N3    C4     sing Y N 153 
DC  OP3   P      sing N N 154 
DC  OP3   HOP3   sing N N 155 
DC  P     OP1    doub N N 156 
DC  P     OP2    sing N N 157 
DC  P     "O5'"  sing N N 158 
DC  OP2   HOP2   sing N N 159 
DC  "O5'" "C5'"  sing N N 160 
DC  "C5'" "C4'"  sing N N 161 
DC  "C5'" "H5'"  sing N N 162 
DC  "C5'" "H5''" sing N N 163 
DC  "C4'" "O4'"  sing N N 164 
DC  "C4'" "C3'"  sing N N 165 
DC  "C4'" "H4'"  sing N N 166 
DC  "O4'" "C1'"  sing N N 167 
DC  "C3'" "O3'"  sing N N 168 
DC  "C3'" "C2'"  sing N N 169 
DC  "C3'" "H3'"  sing N N 170 
DC  "O3'" "HO3'" sing N N 171 
DC  "C2'" "C1'"  sing N N 172 
DC  "C2'" "H2'"  sing N N 173 
DC  "C2'" "H2''" sing N N 174 
DC  "C1'" N1     sing N N 175 
DC  "C1'" "H1'"  sing N N 176 
DC  N1    C2     sing N N 177 
DC  N1    C6     sing N N 178 
DC  C2    O2     doub N N 179 
DC  C2    N3     sing N N 180 
DC  N3    C4     doub N N 181 
DC  C4    N4     sing N N 182 
DC  C4    C5     sing N N 183 
DC  N4    H41    sing N N 184 
DC  N4    H42    sing N N 185 
DC  C5    C6     doub N N 186 
DC  C5    H5     sing N N 187 
DC  C6    H6     sing N N 188 
DG  OP3   P      sing N N 189 
DG  OP3   HOP3   sing N N 190 
DG  P     OP1    doub N N 191 
DG  P     OP2    sing N N 192 
DG  P     "O5'"  sing N N 193 
DG  OP2   HOP2   sing N N 194 
DG  "O5'" "C5'"  sing N N 195 
DG  "C5'" "C4'"  sing N N 196 
DG  "C5'" "H5'"  sing N N 197 
DG  "C5'" "H5''" sing N N 198 
DG  "C4'" "O4'"  sing N N 199 
DG  "C4'" "C3'"  sing N N 200 
DG  "C4'" "H4'"  sing N N 201 
DG  "O4'" "C1'"  sing N N 202 
DG  "C3'" "O3'"  sing N N 203 
DG  "C3'" "C2'"  sing N N 204 
DG  "C3'" "H3'"  sing N N 205 
DG  "O3'" "HO3'" sing N N 206 
DG  "C2'" "C1'"  sing N N 207 
DG  "C2'" "H2'"  sing N N 208 
DG  "C2'" "H2''" sing N N 209 
DG  "C1'" N9     sing N N 210 
DG  "C1'" "H1'"  sing N N 211 
DG  N9    C8     sing Y N 212 
DG  N9    C4     sing Y N 213 
DG  C8    N7     doub Y N 214 
DG  C8    H8     sing N N 215 
DG  N7    C5     sing Y N 216 
DG  C5    C6     sing N N 217 
DG  C5    C4     doub Y N 218 
DG  C6    O6     doub N N 219 
DG  C6    N1     sing N N 220 
DG  N1    C2     sing N N 221 
DG  N1    H1     sing N N 222 
DG  C2    N2     sing N N 223 
DG  C2    N3     doub N N 224 
DG  N2    H21    sing N N 225 
DG  N2    H22    sing N N 226 
DG  N3    C4     sing N N 227 
DT  OP3   P      sing N N 228 
DT  OP3   HOP3   sing N N 229 
DT  P     OP1    doub N N 230 
DT  P     OP2    sing N N 231 
DT  P     "O5'"  sing N N 232 
DT  OP2   HOP2   sing N N 233 
DT  "O5'" "C5'"  sing N N 234 
DT  "C5'" "C4'"  sing N N 235 
DT  "C5'" "H5'"  sing N N 236 
DT  "C5'" "H5''" sing N N 237 
DT  "C4'" "O4'"  sing N N 238 
DT  "C4'" "C3'"  sing N N 239 
DT  "C4'" "H4'"  sing N N 240 
DT  "O4'" "C1'"  sing N N 241 
DT  "C3'" "O3'"  sing N N 242 
DT  "C3'" "C2'"  sing N N 243 
DT  "C3'" "H3'"  sing N N 244 
DT  "O3'" "HO3'" sing N N 245 
DT  "C2'" "C1'"  sing N N 246 
DT  "C2'" "H2'"  sing N N 247 
DT  "C2'" "H2''" sing N N 248 
DT  "C1'" N1     sing N N 249 
DT  "C1'" "H1'"  sing N N 250 
DT  N1    C2     sing N N 251 
DT  N1    C6     sing N N 252 
DT  C2    O2     doub N N 253 
DT  C2    N3     sing N N 254 
DT  N3    C4     sing N N 255 
DT  N3    H3     sing N N 256 
DT  C4    O4     doub N N 257 
DT  C4    C5     sing N N 258 
DT  C5    C7     sing N N 259 
DT  C5    C6     doub N N 260 
DT  C7    H71    sing N N 261 
DT  C7    H72    sing N N 262 
DT  C7    H73    sing N N 263 
DT  C6    H6     sing N N 264 
GLN N     CA     sing N N 265 
GLN N     H      sing N N 266 
GLN N     H2     sing N N 267 
GLN CA    C      sing N N 268 
GLN CA    CB     sing N N 269 
GLN CA    HA     sing N N 270 
GLN C     O      doub N N 271 
GLN C     OXT    sing N N 272 
GLN CB    CG     sing N N 273 
GLN CB    HB2    sing N N 274 
GLN CB    HB3    sing N N 275 
GLN CG    CD     sing N N 276 
GLN CG    HG2    sing N N 277 
GLN CG    HG3    sing N N 278 
GLN CD    OE1    doub N N 279 
GLN CD    NE2    sing N N 280 
GLN NE2   HE21   sing N N 281 
GLN NE2   HE22   sing N N 282 
GLN OXT   HXT    sing N N 283 
GLU N     CA     sing N N 284 
GLU N     H      sing N N 285 
GLU N     H2     sing N N 286 
GLU CA    C      sing N N 287 
GLU CA    CB     sing N N 288 
GLU CA    HA     sing N N 289 
GLU C     O      doub N N 290 
GLU C     OXT    sing N N 291 
GLU CB    CG     sing N N 292 
GLU CB    HB2    sing N N 293 
GLU CB    HB3    sing N N 294 
GLU CG    CD     sing N N 295 
GLU CG    HG2    sing N N 296 
GLU CG    HG3    sing N N 297 
GLU CD    OE1    doub N N 298 
GLU CD    OE2    sing N N 299 
GLU OE2   HE2    sing N N 300 
GLU OXT   HXT    sing N N 301 
GLY N     CA     sing N N 302 
GLY N     H      sing N N 303 
GLY N     H2     sing N N 304 
GLY CA    C      sing N N 305 
GLY CA    HA2    sing N N 306 
GLY CA    HA3    sing N N 307 
GLY C     O      doub N N 308 
GLY C     OXT    sing N N 309 
GLY OXT   HXT    sing N N 310 
HIS N     CA     sing N N 311 
HIS N     H      sing N N 312 
HIS N     H2     sing N N 313 
HIS CA    C      sing N N 314 
HIS CA    CB     sing N N 315 
HIS CA    HA     sing N N 316 
HIS C     O      doub N N 317 
HIS C     OXT    sing N N 318 
HIS CB    CG     sing N N 319 
HIS CB    HB2    sing N N 320 
HIS CB    HB3    sing N N 321 
HIS CG    ND1    sing Y N 322 
HIS CG    CD2    doub Y N 323 
HIS ND1   CE1    doub Y N 324 
HIS ND1   HD1    sing N N 325 
HIS CD2   NE2    sing Y N 326 
HIS CD2   HD2    sing N N 327 
HIS CE1   NE2    sing Y N 328 
HIS CE1   HE1    sing N N 329 
HIS NE2   HE2    sing N N 330 
HIS OXT   HXT    sing N N 331 
HOH O     H1     sing N N 332 
HOH O     H2     sing N N 333 
ILE N     CA     sing N N 334 
ILE N     H      sing N N 335 
ILE N     H2     sing N N 336 
ILE CA    C      sing N N 337 
ILE CA    CB     sing N N 338 
ILE CA    HA     sing N N 339 
ILE C     O      doub N N 340 
ILE C     OXT    sing N N 341 
ILE CB    CG1    sing N N 342 
ILE CB    CG2    sing N N 343 
ILE CB    HB     sing N N 344 
ILE CG1   CD1    sing N N 345 
ILE CG1   HG12   sing N N 346 
ILE CG1   HG13   sing N N 347 
ILE CG2   HG21   sing N N 348 
ILE CG2   HG22   sing N N 349 
ILE CG2   HG23   sing N N 350 
ILE CD1   HD11   sing N N 351 
ILE CD1   HD12   sing N N 352 
ILE CD1   HD13   sing N N 353 
ILE OXT   HXT    sing N N 354 
LEU N     CA     sing N N 355 
LEU N     H      sing N N 356 
LEU N     H2     sing N N 357 
LEU CA    C      sing N N 358 
LEU CA    CB     sing N N 359 
LEU CA    HA     sing N N 360 
LEU C     O      doub N N 361 
LEU C     OXT    sing N N 362 
LEU CB    CG     sing N N 363 
LEU CB    HB2    sing N N 364 
LEU CB    HB3    sing N N 365 
LEU CG    CD1    sing N N 366 
LEU CG    CD2    sing N N 367 
LEU CG    HG     sing N N 368 
LEU CD1   HD11   sing N N 369 
LEU CD1   HD12   sing N N 370 
LEU CD1   HD13   sing N N 371 
LEU CD2   HD21   sing N N 372 
LEU CD2   HD22   sing N N 373 
LEU CD2   HD23   sing N N 374 
LEU OXT   HXT    sing N N 375 
LYS N     CA     sing N N 376 
LYS N     H      sing N N 377 
LYS N     H2     sing N N 378 
LYS CA    C      sing N N 379 
LYS CA    CB     sing N N 380 
LYS CA    HA     sing N N 381 
LYS C     O      doub N N 382 
LYS C     OXT    sing N N 383 
LYS CB    CG     sing N N 384 
LYS CB    HB2    sing N N 385 
LYS CB    HB3    sing N N 386 
LYS CG    CD     sing N N 387 
LYS CG    HG2    sing N N 388 
LYS CG    HG3    sing N N 389 
LYS CD    CE     sing N N 390 
LYS CD    HD2    sing N N 391 
LYS CD    HD3    sing N N 392 
LYS CE    NZ     sing N N 393 
LYS CE    HE2    sing N N 394 
LYS CE    HE3    sing N N 395 
LYS NZ    HZ1    sing N N 396 
LYS NZ    HZ2    sing N N 397 
LYS NZ    HZ3    sing N N 398 
LYS OXT   HXT    sing N N 399 
MET N     CA     sing N N 400 
MET N     H      sing N N 401 
MET N     H2     sing N N 402 
MET CA    C      sing N N 403 
MET CA    CB     sing N N 404 
MET CA    HA     sing N N 405 
MET C     O      doub N N 406 
MET C     OXT    sing N N 407 
MET CB    CG     sing N N 408 
MET CB    HB2    sing N N 409 
MET CB    HB3    sing N N 410 
MET CG    SD     sing N N 411 
MET CG    HG2    sing N N 412 
MET CG    HG3    sing N N 413 
MET SD    CE     sing N N 414 
MET CE    HE1    sing N N 415 
MET CE    HE2    sing N N 416 
MET CE    HE3    sing N N 417 
MET OXT   HXT    sing N N 418 
PG4 O1    C1     sing N N 419 
PG4 O1    HO1    sing N N 420 
PG4 C1    C2     sing N N 421 
PG4 C1    H11    sing N N 422 
PG4 C1    H12    sing N N 423 
PG4 C2    O2     sing N N 424 
PG4 C2    H21    sing N N 425 
PG4 C2    H22    sing N N 426 
PG4 O2    C3     sing N N 427 
PG4 C3    C4     sing N N 428 
PG4 C3    H31    sing N N 429 
PG4 C3    H32    sing N N 430 
PG4 C4    O3     sing N N 431 
PG4 C4    H41    sing N N 432 
PG4 C4    H42    sing N N 433 
PG4 O3    C5     sing N N 434 
PG4 C5    C6     sing N N 435 
PG4 C5    H51    sing N N 436 
PG4 C5    H52    sing N N 437 
PG4 C6    O4     sing N N 438 
PG4 C6    H61    sing N N 439 
PG4 C6    H62    sing N N 440 
PG4 O4    C7     sing N N 441 
PG4 C7    C8     sing N N 442 
PG4 C7    H71    sing N N 443 
PG4 C7    H72    sing N N 444 
PG4 C8    O5     sing N N 445 
PG4 C8    H81    sing N N 446 
PG4 C8    H82    sing N N 447 
PG4 O5    HO5    sing N N 448 
PHE N     CA     sing N N 449 
PHE N     H      sing N N 450 
PHE N     H2     sing N N 451 
PHE CA    C      sing N N 452 
PHE CA    CB     sing N N 453 
PHE CA    HA     sing N N 454 
PHE C     O      doub N N 455 
PHE C     OXT    sing N N 456 
PHE CB    CG     sing N N 457 
PHE CB    HB2    sing N N 458 
PHE CB    HB3    sing N N 459 
PHE CG    CD1    doub Y N 460 
PHE CG    CD2    sing Y N 461 
PHE CD1   CE1    sing Y N 462 
PHE CD1   HD1    sing N N 463 
PHE CD2   CE2    doub Y N 464 
PHE CD2   HD2    sing N N 465 
PHE CE1   CZ     doub Y N 466 
PHE CE1   HE1    sing N N 467 
PHE CE2   CZ     sing Y N 468 
PHE CE2   HE2    sing N N 469 
PHE CZ    HZ     sing N N 470 
PHE OXT   HXT    sing N N 471 
PRO N     CA     sing N N 472 
PRO N     CD     sing N N 473 
PRO N     H      sing N N 474 
PRO CA    C      sing N N 475 
PRO CA    CB     sing N N 476 
PRO CA    HA     sing N N 477 
PRO C     O      doub N N 478 
PRO C     OXT    sing N N 479 
PRO CB    CG     sing N N 480 
PRO CB    HB2    sing N N 481 
PRO CB    HB3    sing N N 482 
PRO CG    CD     sing N N 483 
PRO CG    HG2    sing N N 484 
PRO CG    HG3    sing N N 485 
PRO CD    HD2    sing N N 486 
PRO CD    HD3    sing N N 487 
PRO OXT   HXT    sing N N 488 
SER N     CA     sing N N 489 
SER N     H      sing N N 490 
SER N     H2     sing N N 491 
SER CA    C      sing N N 492 
SER CA    CB     sing N N 493 
SER CA    HA     sing N N 494 
SER C     O      doub N N 495 
SER C     OXT    sing N N 496 
SER CB    OG     sing N N 497 
SER CB    HB2    sing N N 498 
SER CB    HB3    sing N N 499 
SER OG    HG     sing N N 500 
SER OXT   HXT    sing N N 501 
THM "O5'" "C5'"  sing N N 502 
THM "O5'" "HO5'" sing N N 503 
THM "C5'" "C4'"  sing N N 504 
THM "C5'" "H5'1" sing N N 505 
THM "C5'" "H5'2" sing N N 506 
THM "C4'" "O4'"  sing N N 507 
THM "C4'" "C3'"  sing N N 508 
THM "C4'" "H4'"  sing N N 509 
THM "O4'" "C1'"  sing N N 510 
THM "C3'" "O3'"  sing N N 511 
THM "C3'" "C2'"  sing N N 512 
THM "C3'" "H3'"  sing N N 513 
THM "O3'" "HO3'" sing N N 514 
THM "C2'" "C1'"  sing N N 515 
THM "C2'" "H2'1" sing N N 516 
THM "C2'" "H2'2" sing N N 517 
THM "C1'" N1     sing N N 518 
THM "C1'" "H1'"  sing N N 519 
THM N1    C2     sing N N 520 
THM N1    C6     sing N N 521 
THM C2    O2     doub N N 522 
THM C2    N3     sing N N 523 
THM N3    C4     sing N N 524 
THM N3    HN3    sing N N 525 
THM C4    O4     doub N N 526 
THM C4    C5     sing N N 527 
THM C5    C5M    sing N N 528 
THM C5    C6     doub N N 529 
THM C5M   HM51   sing N N 530 
THM C5M   HM52   sing N N 531 
THM C5M   HM53   sing N N 532 
THM C6    H6     sing N N 533 
THR N     CA     sing N N 534 
THR N     H      sing N N 535 
THR N     H2     sing N N 536 
THR CA    C      sing N N 537 
THR CA    CB     sing N N 538 
THR CA    HA     sing N N 539 
THR C     O      doub N N 540 
THR C     OXT    sing N N 541 
THR CB    OG1    sing N N 542 
THR CB    CG2    sing N N 543 
THR CB    HB     sing N N 544 
THR OG1   HG1    sing N N 545 
THR CG2   HG21   sing N N 546 
THR CG2   HG22   sing N N 547 
THR CG2   HG23   sing N N 548 
THR OXT   HXT    sing N N 549 
TRP N     CA     sing N N 550 
TRP N     H      sing N N 551 
TRP N     H2     sing N N 552 
TRP CA    C      sing N N 553 
TRP CA    CB     sing N N 554 
TRP CA    HA     sing N N 555 
TRP C     O      doub N N 556 
TRP C     OXT    sing N N 557 
TRP CB    CG     sing N N 558 
TRP CB    HB2    sing N N 559 
TRP CB    HB3    sing N N 560 
TRP CG    CD1    doub Y N 561 
TRP CG    CD2    sing Y N 562 
TRP CD1   NE1    sing Y N 563 
TRP CD1   HD1    sing N N 564 
TRP CD2   CE2    doub Y N 565 
TRP CD2   CE3    sing Y N 566 
TRP NE1   CE2    sing Y N 567 
TRP NE1   HE1    sing N N 568 
TRP CE2   CZ2    sing Y N 569 
TRP CE3   CZ3    doub Y N 570 
TRP CE3   HE3    sing N N 571 
TRP CZ2   CH2    doub Y N 572 
TRP CZ2   HZ2    sing N N 573 
TRP CZ3   CH2    sing Y N 574 
TRP CZ3   HZ3    sing N N 575 
TRP CH2   HH2    sing N N 576 
TRP OXT   HXT    sing N N 577 
TYR N     CA     sing N N 578 
TYR N     H      sing N N 579 
TYR N     H2     sing N N 580 
TYR CA    C      sing N N 581 
TYR CA    CB     sing N N 582 
TYR CA    HA     sing N N 583 
TYR C     O      doub N N 584 
TYR C     OXT    sing N N 585 
TYR CB    CG     sing N N 586 
TYR CB    HB2    sing N N 587 
TYR CB    HB3    sing N N 588 
TYR CG    CD1    doub Y N 589 
TYR CG    CD2    sing Y N 590 
TYR CD1   CE1    sing Y N 591 
TYR CD1   HD1    sing N N 592 
TYR CD2   CE2    doub Y N 593 
TYR CD2   HD2    sing N N 594 
TYR CE1   CZ     doub Y N 595 
TYR CE1   HE1    sing N N 596 
TYR CE2   CZ     sing Y N 597 
TYR CE2   HE2    sing N N 598 
TYR CZ    OH     sing N N 599 
TYR OH    HH     sing N N 600 
TYR OXT   HXT    sing N N 601 
VAL N     CA     sing N N 602 
VAL N     H      sing N N 603 
VAL N     H2     sing N N 604 
VAL CA    C      sing N N 605 
VAL CA    CB     sing N N 606 
VAL CA    HA     sing N N 607 
VAL C     O      doub N N 608 
VAL C     OXT    sing N N 609 
VAL CB    CG1    sing N N 610 
VAL CB    CG2    sing N N 611 
VAL CB    HB     sing N N 612 
VAL CG1   HG11   sing N N 613 
VAL CG1   HG12   sing N N 614 
VAL CG1   HG13   sing N N 615 
VAL CG2   HG21   sing N N 616 
VAL CG2   HG22   sing N N 617 
VAL CG2   HG23   sing N N 618 
VAL OXT   HXT    sing N N 619 
# 
loop_
_ndb_struct_conf_na.entry_id 
_ndb_struct_conf_na.feature 
9J1O 'double helix'        
9J1O 'a-form double helix' 
9J1O 'b-form double helix' 
# 
loop_
_ndb_struct_na_base_pair.model_number 
_ndb_struct_na_base_pair.i_label_asym_id 
_ndb_struct_na_base_pair.i_label_comp_id 
_ndb_struct_na_base_pair.i_label_seq_id 
_ndb_struct_na_base_pair.i_symmetry 
_ndb_struct_na_base_pair.j_label_asym_id 
_ndb_struct_na_base_pair.j_label_comp_id 
_ndb_struct_na_base_pair.j_label_seq_id 
_ndb_struct_na_base_pair.j_symmetry 
_ndb_struct_na_base_pair.shear 
_ndb_struct_na_base_pair.stretch 
_ndb_struct_na_base_pair.stagger 
_ndb_struct_na_base_pair.buckle 
_ndb_struct_na_base_pair.propeller 
_ndb_struct_na_base_pair.opening 
_ndb_struct_na_base_pair.pair_number 
_ndb_struct_na_base_pair.pair_name 
_ndb_struct_na_base_pair.i_auth_asym_id 
_ndb_struct_na_base_pair.i_auth_seq_id 
_ndb_struct_na_base_pair.i_PDB_ins_code 
_ndb_struct_na_base_pair.j_auth_asym_id 
_ndb_struct_na_base_pair.j_auth_seq_id 
_ndb_struct_na_base_pair.j_PDB_ins_code 
_ndb_struct_na_base_pair.hbond_type_28 
_ndb_struct_na_base_pair.hbond_type_12 
1 A DT 1  1_555 B DA 15 1_555 0.057  -0.238 0.159  3.619  -6.063  3.696  1  A_DT2:DA16_B A 2  ? B 16 ? 20 1 
1 A DG 2  1_555 B DC 14 1_555 -0.378 -0.378 -0.260 1.664  -6.260  -2.595 2  A_DG3:DC15_B A 3  ? B 15 ? 19 1 
1 A DA 3  1_555 B DT 13 1_555 0.034  -0.270 0.104  9.118  -19.375 -4.026 3  A_DA4:DT14_B A 4  ? B 14 ? 20 1 
1 A DA 4  1_555 B DT 12 1_555 0.109  -0.234 0.147  6.054  -17.564 3.413  4  A_DA5:DT13_B A 5  ? B 13 ? 20 1 
1 A DA 5  1_555 B DT 11 1_555 0.344  -0.232 0.347  6.486  -7.159  -1.762 5  A_DA6:DT12_B A 6  ? B 12 ? 20 1 
1 A DA 6  1_555 B DT 10 1_555 0.380  -0.188 0.165  2.577  -16.508 9.494  6  A_DA7:DT11_B A 7  ? B 11 ? 20 1 
1 A DG 7  1_555 B DC 9  1_555 -0.280 -0.168 0.385  -2.262 -7.229  4.155  7  A_DG8:DC10_B A 8  ? B 10 ? 19 1 
1 A DG 8  1_555 B DC 8  1_555 -0.742 -0.317 0.554  -5.854 -13.113 7.816  8  A_DG9:DC9_B  A 9  ? B 9  ? 19 1 
1 A DG 9  1_555 B DC 7  1_555 -0.202 -0.308 -0.010 6.301  3.884   -0.802 9  A_DG10:DC8_B A 10 ? B 8  ? 19 1 
1 A DA 10 1_555 B DT 6  1_555 0.525  -0.257 0.157  13.214 -7.123  5.502  10 A_DA11:DT7_B A 11 ? B 7  ? 20 1 
1 A DA 11 1_555 B DT 5  1_555 0.441  -0.118 0.466  10.080 -21.718 1.143  11 A_DA12:DT6_B A 12 ? B 6  ? 20 1 
1 A DT 12 1_555 B DA 4  1_555 -0.396 -0.389 0.171  3.445  -19.776 -1.941 12 A_DT13:DA5_B A 13 ? B 5  ? 20 1 
1 A DT 13 1_555 B DA 3  1_555 -0.070 -0.316 0.038  5.254  -11.078 3.396  13 A_DT14:DA4_B A 14 ? B 4  ? 20 1 
1 A DG 14 1_555 B DC 2  1_555 -0.054 -0.395 0.231  2.729  -22.444 -1.698 14 A_DG15:DC3_B A 15 ? B 3  ? 19 1 
1 A DG 15 1_555 B DC 1  1_555 -0.262 -0.152 -0.257 -3.453 -0.379  3.929  15 A_DG16:DC2_B A 16 ? B 2  ? 19 1 
# 
loop_
_ndb_struct_na_base_pair_step.model_number 
_ndb_struct_na_base_pair_step.i_label_asym_id_1 
_ndb_struct_na_base_pair_step.i_label_comp_id_1 
_ndb_struct_na_base_pair_step.i_label_seq_id_1 
_ndb_struct_na_base_pair_step.i_symmetry_1 
_ndb_struct_na_base_pair_step.j_label_asym_id_1 
_ndb_struct_na_base_pair_step.j_label_comp_id_1 
_ndb_struct_na_base_pair_step.j_label_seq_id_1 
_ndb_struct_na_base_pair_step.j_symmetry_1 
_ndb_struct_na_base_pair_step.i_label_asym_id_2 
_ndb_struct_na_base_pair_step.i_label_comp_id_2 
_ndb_struct_na_base_pair_step.i_label_seq_id_2 
_ndb_struct_na_base_pair_step.i_symmetry_2 
_ndb_struct_na_base_pair_step.j_label_asym_id_2 
_ndb_struct_na_base_pair_step.j_label_comp_id_2 
_ndb_struct_na_base_pair_step.j_label_seq_id_2 
_ndb_struct_na_base_pair_step.j_symmetry_2 
_ndb_struct_na_base_pair_step.shift 
_ndb_struct_na_base_pair_step.slide 
_ndb_struct_na_base_pair_step.rise 
_ndb_struct_na_base_pair_step.tilt 
_ndb_struct_na_base_pair_step.roll 
_ndb_struct_na_base_pair_step.twist 
_ndb_struct_na_base_pair_step.x_displacement 
_ndb_struct_na_base_pair_step.y_displacement 
_ndb_struct_na_base_pair_step.helical_rise 
_ndb_struct_na_base_pair_step.inclination 
_ndb_struct_na_base_pair_step.tip 
_ndb_struct_na_base_pair_step.helical_twist 
_ndb_struct_na_base_pair_step.step_number 
_ndb_struct_na_base_pair_step.step_name 
_ndb_struct_na_base_pair_step.i_auth_asym_id_1 
_ndb_struct_na_base_pair_step.i_auth_seq_id_1 
_ndb_struct_na_base_pair_step.i_PDB_ins_code_1 
_ndb_struct_na_base_pair_step.j_auth_asym_id_1 
_ndb_struct_na_base_pair_step.j_auth_seq_id_1 
_ndb_struct_na_base_pair_step.j_PDB_ins_code_1 
_ndb_struct_na_base_pair_step.i_auth_asym_id_2 
_ndb_struct_na_base_pair_step.i_auth_seq_id_2 
_ndb_struct_na_base_pair_step.i_PDB_ins_code_2 
_ndb_struct_na_base_pair_step.j_auth_asym_id_2 
_ndb_struct_na_base_pair_step.j_auth_seq_id_2 
_ndb_struct_na_base_pair_step.j_PDB_ins_code_2 
1 A DT 1  1_555 B DA 15 1_555 A DG 2  1_555 B DC 14 1_555 0.077  2.036  3.437 3.997  -5.722 40.852 3.497  0.322  3.130 -8.126 
-5.676 41.419 1  AA_DT2DG3:DC15DA16_BB A 2  ? B 16 ? A 3  ? B 15 ? 
1 A DG 2  1_555 B DC 14 1_555 A DA 3  1_555 B DT 13 1_555 -1.000 0.752  3.182 -7.524 0.408  37.633 1.094  0.578  3.321 0.625  
11.523 38.353 2  AA_DG3DA4:DT14DC15_BB A 3  ? B 15 ? A 4  ? B 14 ? 
1 A DA 3  1_555 B DT 13 1_555 A DA 4  1_555 B DT 12 1_555 0.460  -0.561 3.367 -0.340 -2.110 33.432 -0.615 -0.856 3.390 -3.664 
0.590  33.498 3  AA_DA4DA5:DT13DT14_BB A 4  ? B 14 ? A 5  ? B 13 ? 
1 A DA 4  1_555 B DT 12 1_555 A DA 5  1_555 B DT 11 1_555 0.154  -0.537 3.139 -4.219 -0.735 35.650 -0.770 -0.829 3.111 -1.195 
6.861  35.898 4  AA_DA5DA6:DT12DT13_BB A 5  ? B 13 ? A 6  ? B 12 ? 
1 A DA 5  1_555 B DT 11 1_555 A DA 6  1_555 B DT 10 1_555 0.709  -0.669 3.411 0.395  6.081  32.520 -2.230 -1.176 3.245 10.742 
-0.698 33.071 5  AA_DA6DA7:DT11DT12_BB A 6  ? B 12 ? A 7  ? B 11 ? 
1 A DA 6  1_555 B DT 10 1_555 A DG 7  1_555 B DC 9  1_555 0.039  -1.468 3.370 -2.666 4.242  26.995 -4.134 -0.736 3.090 8.990  
5.650  27.447 6  AA_DA7DG8:DC10DT11_BB A 7  ? B 11 ? A 8  ? B 10 ? 
1 A DG 7  1_555 B DC 9  1_555 A DG 8  1_555 B DC 8  1_555 0.553  -1.651 3.239 2.727  4.560  28.781 -4.215 -0.528 2.986 9.076  
-5.427 29.257 7  AA_DG8DG9:DC9DC10_BB  A 8  ? B 10 ? A 9  ? B 9  ? 
1 A DG 8  1_555 B DC 8  1_555 A DG 9  1_555 B DC 7  1_555 -1.342 -0.398 3.095 2.089  4.645  35.195 -1.280 2.481  2.938 7.632  
-3.433 35.550 8  AA_DG9DG10:DC8DC9_BB  A 9  ? B 9  ? A 10 ? B 8  ? 
1 A DG 9  1_555 B DC 7  1_555 A DA 10 1_555 B DT 6  1_555 0.307  -0.435 3.035 0.823  8.467  27.928 -2.545 -0.446 2.793 17.050 
-1.657 29.170 9  AA_DG10DA11:DT7DC8_BB A 10 ? B 8  ? A 11 ? B 7  ? 
1 A DA 10 1_555 B DT 6  1_555 A DA 11 1_555 B DT 5  1_555 -0.831 0.173  3.421 -3.185 -1.418 36.443 0.481  0.860  3.470 -2.262 
5.078  36.604 10 AA_DA11DA12:DT6DT7_BB A 11 ? B 7  ? A 12 ? B 6  ? 
1 A DA 11 1_555 B DT 5  1_555 A DT 12 1_555 B DA 4  1_555 0.388  -1.211 3.327 0.511  -0.900 33.788 -1.933 -0.584 3.362 -1.548 
-0.878 33.803 11 AA_DA12DT13:DA5DT6_BB A 12 ? B 6  ? A 13 ? B 5  ? 
1 A DT 12 1_555 B DA 4  1_555 A DT 13 1_555 B DA 3  1_555 -0.462 -0.290 3.290 1.603  6.591  27.812 -2.070 1.296  3.109 13.460 
-3.274 28.611 12 AA_DT13DT14:DA4DA5_BB A 13 ? B 5  ? A 14 ? B 4  ? 
1 A DT 13 1_555 B DA 3  1_555 A DG 14 1_555 B DC 2  1_555 -1.328 1.233  3.402 -5.170 5.150  38.672 1.165  1.303  3.671 7.693  
7.723  39.329 13 AA_DT14DG15:DC3DA4_BB A 14 ? B 4  ? A 15 ? B 3  ? 
1 A DG 14 1_555 B DC 2  1_555 A DG 15 1_555 B DC 1  1_555 1.469  0.663  3.563 3.281  -2.593 34.708 1.536  -1.899 3.625 -4.327 
-5.475 34.951 14 AA_DG15DG16:DC2DC3_BB A 15 ? B 3  ? A 16 ? B 2  ? 
# 
_pdbx_audit_support.funding_organization   'Not funded' 
_pdbx_audit_support.country                ? 
_pdbx_audit_support.grant_number           ? 
_pdbx_audit_support.ordinal                1 
# 
_pdbx_initial_refinement_model.id               1 
_pdbx_initial_refinement_model.entity_id_list   ? 
_pdbx_initial_refinement_model.type             'experimental model' 
_pdbx_initial_refinement_model.source_name      PDB 
_pdbx_initial_refinement_model.accession_code   1PUE 
_pdbx_initial_refinement_model.details          ? 
# 
_atom_sites.entry_id                    9J1O 
_atom_sites.Cartn_transf_matrix[1][1]   ? 
_atom_sites.Cartn_transf_matrix[1][2]   ? 
_atom_sites.Cartn_transf_matrix[1][3]   ? 
_atom_sites.Cartn_transf_matrix[2][1]   ? 
_atom_sites.Cartn_transf_matrix[2][2]   ? 
_atom_sites.Cartn_transf_matrix[2][3]   ? 
_atom_sites.Cartn_transf_matrix[3][1]   ? 
_atom_sites.Cartn_transf_matrix[3][2]   ? 
_atom_sites.Cartn_transf_matrix[3][3]   ? 
_atom_sites.Cartn_transf_vector[1]      ? 
_atom_sites.Cartn_transf_vector[2]      ? 
_atom_sites.Cartn_transf_vector[3]      ? 
_atom_sites.Cartn_transform_axes        ? 
_atom_sites.fract_transf_matrix[1][1]   0.030120 
_atom_sites.fract_transf_matrix[1][2]   0.000000 
_atom_sites.fract_transf_matrix[1][3]   0.000000 
_atom_sites.fract_transf_matrix[2][1]   0.000000 
_atom_sites.fract_transf_matrix[2][2]   0.018225 
_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]   0.009922 
_atom_sites.fract_transf_vector[1]      0.00000 
_atom_sites.fract_transf_vector[2]      0.00000 
_atom_sites.fract_transf_vector[3]      0.00000 
_atom_sites.solution_primary            ? 
_atom_sites.solution_secondary          ? 
_atom_sites.solution_hydrogens          ? 
_atom_sites.special_details             ? 
# 
loop_
_atom_type.symbol 
C 
N 
O 
P 
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    P P     . DT  A 1 1   ? -16.352 4.771   38.902  1.00 56.55 ? 2   DT  A P     1 
ATOM   2    O OP1   . DT  A 1 1   ? -15.891 6.138   39.227  1.00 58.51 ? 2   DT  A OP1   1 
ATOM   3    O OP2   . DT  A 1 1   ? -17.805 4.502   38.757  1.00 55.41 ? 2   DT  A OP2   1 
ATOM   4    O "O5'" . DT  A 1 1   ? -15.591 4.299   37.590  1.00 55.74 ? 2   DT  A "O5'" 1 
ATOM   5    C "C5'" . DT  A 1 1   ? -14.181 4.472   37.503  1.00 56.77 ? 2   DT  A "C5'" 1 
ATOM   6    C "C4'" . DT  A 1 1   ? -13.642 3.967   36.181  1.00 55.83 ? 2   DT  A "C4'" 1 
ATOM   7    O "O4'" . DT  A 1 1   ? -13.705 2.522   36.134  1.00 55.09 ? 2   DT  A "O4'" 1 
ATOM   8    C "C3'" . DT  A 1 1   ? -14.385 4.457   34.932  1.00 55.06 ? 2   DT  A "C3'" 1 
ATOM   9    O "O3'" . DT  A 1 1   ? -13.451 4.761   33.948  1.00 55.37 ? 2   DT  A "O3'" 1 
ATOM   10   C "C2'" . DT  A 1 1   ? -15.204 3.236   34.513  1.00 53.27 ? 2   DT  A "C2'" 1 
ATOM   11   C "C1'" . DT  A 1 1   ? -14.246 2.125   34.885  1.00 54.57 ? 2   DT  A "C1'" 1 
ATOM   12   N N1    . DT  A 1 1   ? -14.873 0.802   35.051  1.00 51.92 ? 2   DT  A N1    1 
ATOM   13   C C2    . DT  A 1 1   ? -14.077 -0.305  34.938  1.00 51.70 ? 2   DT  A C2    1 
ATOM   14   O O2    . DT  A 1 1   ? -12.878 -0.235  34.756  1.00 52.54 ? 2   DT  A O2    1 
ATOM   15   N N3    . DT  A 1 1   ? -14.717 -1.493  35.113  1.00 50.79 ? 2   DT  A N3    1 
ATOM   16   C C4    . DT  A 1 1   ? -16.065 -1.680  35.347  1.00 58.11 ? 2   DT  A C4    1 
ATOM   17   O O4    . DT  A 1 1   ? -16.556 -2.792  35.477  1.00 66.20 ? 2   DT  A O4    1 
ATOM   18   C C5    . DT  A 1 1   ? -16.855 -0.474  35.426  1.00 56.33 ? 2   DT  A C5    1 
ATOM   19   C C7    . DT  A 1 1   ? -18.337 -0.557  35.678  1.00 65.04 ? 2   DT  A C7    1 
ATOM   20   C C6    . DT  A 1 1   ? -16.226 0.700   35.267  1.00 51.22 ? 2   DT  A C6    1 
ATOM   21   P P     . DG  A 1 2   ? -13.303 6.254   33.390  1.00 56.68 ? 3   DG  A P     1 
ATOM   22   O OP1   . DG  A 1 2   ? -12.977 7.193   34.484  1.00 66.40 ? 3   DG  A OP1   1 
ATOM   23   O OP2   . DG  A 1 2   ? -14.512 6.486   32.577  1.00 56.13 ? 3   DG  A OP2   1 
ATOM   24   O "O5'" . DG  A 1 2   ? -11.996 6.152   32.489  1.00 56.88 ? 3   DG  A "O5'" 1 
ATOM   25   C "C5'" . DG  A 1 2   ? -10.803 5.583   33.037  1.00 66.60 ? 3   DG  A "C5'" 1 
ATOM   26   C "C4'" . DG  A 1 2   ? -10.265 4.465   32.154  1.00 56.27 ? 3   DG  A "C4'" 1 
ATOM   27   O "O4'" . DG  A 1 2   ? -11.076 3.272   32.315  1.00 58.44 ? 3   DG  A "O4'" 1 
ATOM   28   C "C3'" . DG  A 1 2   ? -10.243 4.756   30.652  1.00 58.96 ? 3   DG  A "C3'" 1 
ATOM   29   O "O3'" . DG  A 1 2   ? -9.127  4.107   30.093  1.00 75.10 ? 3   DG  A "O3'" 1 
ATOM   30   C "C2'" . DG  A 1 2   ? -11.538 4.098   30.178  1.00 56.92 ? 3   DG  A "C2'" 1 
ATOM   31   C "C1'" . DG  A 1 2   ? -11.521 2.847   31.043  1.00 59.32 ? 3   DG  A "C1'" 1 
ATOM   32   N N9    . DG  A 1 2   ? -12.809 2.200   31.202  1.00 52.13 ? 3   DG  A N9    1 
ATOM   33   C C8    . DG  A 1 2   ? -14.047 2.795   31.217  1.00 56.30 ? 3   DG  A C8    1 
ATOM   34   N N7    . DG  A 1 2   ? -15.024 1.947   31.384  1.00 50.87 ? 3   DG  A N7    1 
ATOM   35   C C5    . DG  A 1 2   ? -14.391 0.714   31.480  1.00 50.39 ? 3   DG  A C5    1 
ATOM   36   C C6    . DG  A 1 2   ? -14.931 -0.576  31.671  1.00 49.49 ? 3   DG  A C6    1 
ATOM   37   O O6    . DG  A 1 2   ? -16.119 -0.901  31.795  1.00 52.75 ? 3   DG  A O6    1 
ATOM   38   N N1    . DG  A 1 2   ? -13.938 -1.548  31.713  1.00 49.58 ? 3   DG  A N1    1 
ATOM   39   C C2    . DG  A 1 2   ? -12.593 -1.304  31.598  1.00 50.45 ? 3   DG  A C2    1 
ATOM   40   N N2    . DG  A 1 2   ? -11.782 -2.373  31.659  1.00 52.76 ? 3   DG  A N2    1 
ATOM   41   N N3    . DG  A 1 2   ? -12.075 -0.099  31.423  1.00 51.27 ? 3   DG  A N3    1 
ATOM   42   C C4    . DG  A 1 2   ? -13.030 0.856   31.370  1.00 51.18 ? 3   DG  A C4    1 
ATOM   43   P P     . DA  A 1 3   ? -8.356  4.709   28.820  1.00 67.02 ? 4   DA  A P     1 
ATOM   44   O OP1   . DA  A 1 3   ? -7.640  5.915   29.299  1.00 74.57 ? 4   DA  A OP1   1 
ATOM   45   O OP2   . DA  A 1 3   ? -9.300  4.797   27.678  1.00 65.43 ? 4   DA  A OP2   1 
ATOM   46   O "O5'" . DA  A 1 3   ? -7.303  3.560   28.485  1.00 62.65 ? 4   DA  A "O5'" 1 
ATOM   47   C "C5'" . DA  A 1 3   ? -6.838  2.720   29.531  1.00 59.51 ? 4   DA  A "C5'" 1 
ATOM   48   C "C4'" . DA  A 1 3   ? -6.752  1.284   29.056  1.00 60.98 ? 4   DA  A "C4'" 1 
ATOM   49   O "O4'" . DA  A 1 3   ? -8.030  0.628   29.259  1.00 65.10 ? 4   DA  A "O4'" 1 
ATOM   50   C "C3'" . DA  A 1 3   ? -6.409  1.109   27.582  1.00 59.26 ? 4   DA  A "C3'" 1 
ATOM   51   O "O3'" . DA  A 1 3   ? -5.512  0.037   27.442  1.00 56.87 ? 4   DA  A "O3'" 1 
ATOM   52   C "C2'" . DA  A 1 3   ? -7.759  0.810   26.922  1.00 59.67 ? 4   DA  A "C2'" 1 
ATOM   53   C "C1'" . DA  A 1 3   ? -8.518  0.106   28.040  1.00 54.14 ? 4   DA  A "C1'" 1 
ATOM   54   N N9    . DA  A 1 3   ? -9.955  0.337   28.006  1.00 53.65 ? 4   DA  A N9    1 
ATOM   55   C C8    . DA  A 1 3   ? -10.588 1.532   27.822  1.00 52.98 ? 4   DA  A C8    1 
ATOM   56   N N7    . DA  A 1 3   ? -11.893 1.444   27.845  1.00 55.16 ? 4   DA  A N7    1 
ATOM   57   C C5    . DA  A 1 3   ? -12.131 0.096   28.053  1.00 51.94 ? 4   DA  A C5    1 
ATOM   58   C C6    . DA  A 1 3   ? -13.318 -0.646  28.179  1.00 48.83 ? 4   DA  A C6    1 
ATOM   59   N N6    . DA  A 1 3   ? -14.534 -0.102  28.088  1.00 49.75 ? 4   DA  A N6    1 
ATOM   60   N N1    . DA  A 1 3   ? -13.207 -1.977  28.376  1.00 48.42 ? 4   DA  A N1    1 
ATOM   61   C C2    . DA  A 1 3   ? -11.985 -2.517  28.452  1.00 54.00 ? 4   DA  A C2    1 
ATOM   62   N N3    . DA  A 1 3   ? -10.799 -1.918  28.355  1.00 57.48 ? 4   DA  A N3    1 
ATOM   63   C C4    . DA  A 1 3   ? -10.946 -0.600  28.152  1.00 50.18 ? 4   DA  A C4    1 
ATOM   64   P P     . DA  A 1 4   ? -5.070  -0.466  25.985  1.00 69.38 ? 5   DA  A P     1 
ATOM   65   O OP1   . DA  A 1 4   ? -3.746  -1.082  26.183  1.00 62.99 ? 5   DA  A OP1   1 
ATOM   66   O OP2   . DA  A 1 4   ? -5.280  0.630   25.010  1.00 61.54 ? 5   DA  A OP2   1 
ATOM   67   O "O5'" . DA  A 1 4   ? -6.103  -1.638  25.631  1.00 53.14 ? 5   DA  A "O5'" 1 
ATOM   68   C "C5'" . DA  A 1 4   ? -6.288  -2.697  26.559  1.00 54.83 ? 5   DA  A "C5'" 1 
ATOM   69   C "C4'" . DA  A 1 4   ? -7.303  -3.693  26.051  1.00 54.82 ? 5   DA  A "C4'" 1 
ATOM   70   O "O4'" . DA  A 1 4   ? -8.638  -3.129  26.162  1.00 52.90 ? 5   DA  A "O4'" 1 
ATOM   71   C "C3'" . DA  A 1 4   ? -7.131  -4.103  24.588  1.00 50.38 ? 5   DA  A "C3'" 1 
ATOM   72   O "O3'" . DA  A 1 4   ? -7.334  -5.495  24.475  1.00 50.10 ? 5   DA  A "O3'" 1 
ATOM   73   C "C2'" . DA  A 1 4   ? -8.239  -3.321  23.882  1.00 55.80 ? 5   DA  A "C2'" 1 
ATOM   74   C "C1'" . DA  A 1 4   ? -9.324  -3.334  24.951  1.00 55.13 ? 5   DA  A "C1'" 1 
ATOM   75   N N9    . DA  A 1 4   ? -10.325 -2.275  24.808  1.00 58.10 ? 5   DA  A N9    1 
ATOM   76   C C8    . DA  A 1 4   ? -10.102 -0.937  24.598  1.00 49.13 ? 5   DA  A C8    1 
ATOM   77   N N7    . DA  A 1 4   ? -11.199 -0.219  24.542  1.00 48.75 ? 5   DA  A N7    1 
ATOM   78   C C5    . DA  A 1 4   ? -12.212 -1.144  24.760  1.00 53.00 ? 5   DA  A C5    1 
ATOM   79   C C6    . DA  A 1 4   ? -13.622 -1.022  24.841  1.00 53.68 ? 5   DA  A C6    1 
ATOM   80   N N6    . DA  A 1 4   ? -14.275 0.137   24.692  1.00 47.73 ? 5   DA  A N6    1 
ATOM   81   N N1    . DA  A 1 4   ? -14.333 -2.145  25.078  1.00 54.43 ? 5   DA  A N1    1 
ATOM   82   C C2    . DA  A 1 4   ? -13.680 -3.309  25.227  1.00 53.76 ? 5   DA  A C2    1 
ATOM   83   N N3    . DA  A 1 4   ? -12.368 -3.548  25.181  1.00 51.45 ? 5   DA  A N3    1 
ATOM   84   C C4    . DA  A 1 4   ? -11.685 -2.414  24.938  1.00 51.90 ? 5   DA  A C4    1 
ATOM   85   P P     . DA  A 1 5   ? -6.626  -6.335  23.311  1.00 55.92 ? 6   DA  A P     1 
ATOM   86   O OP1   . DA  A 1 5   ? -5.993  -7.505  23.964  1.00 54.70 ? 6   DA  A OP1   1 
ATOM   87   O OP2   . DA  A 1 5   ? -5.829  -5.428  22.445  1.00 58.14 ? 6   DA  A OP2   1 
ATOM   88   O "O5'" . DA  A 1 5   ? -7.852  -6.874  22.461  1.00 52.18 ? 6   DA  A "O5'" 1 
ATOM   89   C "C5'" . DA  A 1 5   ? -8.820  -7.671  23.083  1.00 49.07 ? 6   DA  A "C5'" 1 
ATOM   90   C "C4'" . DA  A 1 5   ? -10.184 -7.412  22.491  1.00 55.69 ? 6   DA  A "C4'" 1 
ATOM   91   O "O4'" . DA  A 1 5   ? -10.613 -6.061  22.767  1.00 55.73 ? 6   DA  A "O4'" 1 
ATOM   92   C "C3'" . DA  A 1 5   ? -10.260 -7.549  20.970  1.00 52.53 ? 6   DA  A "C3'" 1 
ATOM   93   O "O3'" . DA  A 1 5   ? -10.851 -8.769  20.612  1.00 52.86 ? 6   DA  A "O3'" 1 
ATOM   94   C "C2'" . DA  A 1 5   ? -11.137 -6.366  20.525  1.00 53.89 ? 6   DA  A "C2'" 1 
ATOM   95   C "C1'" . DA  A 1 5   ? -11.628 -5.776  21.847  1.00 59.11 ? 6   DA  A "C1'" 1 
ATOM   96   N N9    . DA  A 1 5   ? -11.873 -4.333  21.782  1.00 55.03 ? 6   DA  A N9    1 
ATOM   97   C C8    . DA  A 1 5   ? -10.945 -3.333  21.685  1.00 55.44 ? 6   DA  A C8    1 
ATOM   98   N N7    . DA  A 1 5   ? -11.470 -2.125  21.636  1.00 56.91 ? 6   DA  A N7    1 
ATOM   99   C C5    . DA  A 1 5   ? -12.837 -2.351  21.717  1.00 50.44 ? 6   DA  A C5    1 
ATOM   100  C C6    . DA  A 1 5   ? -13.954 -1.482  21.720  1.00 49.13 ? 6   DA  A C6    1 
ATOM   101  N N6    . DA  A 1 5   ? -13.858 -0.150  21.645  1.00 50.80 ? 6   DA  A N6    1 
ATOM   102  N N1    . DA  A 1 5   ? -15.177 -2.038  21.810  1.00 50.15 ? 6   DA  A N1    1 
ATOM   103  C C2    . DA  A 1 5   ? -15.276 -3.368  21.894  1.00 50.91 ? 6   DA  A C2    1 
ATOM   104  N N3    . DA  A 1 5   ? -14.310 -4.282  21.903  1.00 52.68 ? 6   DA  A N3    1 
ATOM   105  C C4    . DA  A 1 5   ? -13.102 -3.704  21.810  1.00 49.48 ? 6   DA  A C4    1 
ATOM   106  P P     . DA  A 1 6   ? -10.751 -9.290  19.098  1.00 54.90 ? 7   DA  A P     1 
ATOM   107  O OP1   . DA  A 1 6   ? -10.836 -10.767 19.135  1.00 47.70 ? 7   DA  A OP1   1 
ATOM   108  O OP2   . DA  A 1 6   ? -9.688  -8.553  18.384  1.00 48.76 ? 7   DA  A OP2   1 
ATOM   109  O "O5'" . DA  A 1 6   ? -12.089 -8.773  18.451  1.00 48.27 ? 7   DA  A "O5'" 1 
ATOM   110  C "C5'" . DA  A 1 6   ? -13.308 -9.320  18.852  1.00 59.90 ? 7   DA  A "C5'" 1 
ATOM   111  C "C4'" . DA  A 1 6   ? -14.408 -8.333  18.580  1.00 67.62 ? 7   DA  A "C4'" 1 
ATOM   112  O "O4'" . DA  A 1 6   ? -14.036 -7.050  19.112  1.00 55.14 ? 7   DA  A "O4'" 1 
ATOM   113  C "C3'" . DA  A 1 6   ? -14.627 -8.049  17.105  1.00 70.68 ? 7   DA  A "C3'" 1 
ATOM   114  O "O3'" . DA  A 1 6   ? -15.520 -8.981  16.533  1.00 68.57 ? 7   DA  A "O3'" 1 
ATOM   115  C "C2'" . DA  A 1 6   ? -15.216 -6.629  17.108  1.00 72.15 ? 7   DA  A "C2'" 1 
ATOM   116  C "C1'" . DA  A 1 6   ? -14.873 -6.093  18.509  1.00 66.50 ? 7   DA  A "C1'" 1 
ATOM   117  N N9    . DA  A 1 6   ? -14.179 -4.809  18.467  1.00 59.47 ? 7   DA  A N9    1 
ATOM   118  C C8    . DA  A 1 6   ? -12.832 -4.591  18.425  1.00 57.92 ? 7   DA  A C8    1 
ATOM   119  N N7    . DA  A 1 6   ? -12.501 -3.320  18.403  1.00 59.89 ? 7   DA  A N7    1 
ATOM   120  C C5    . DA  A 1 6   ? -13.718 -2.659  18.446  1.00 56.25 ? 7   DA  A C5    1 
ATOM   121  C C6    . DA  A 1 6   ? -14.062 -1.290  18.463  1.00 60.87 ? 7   DA  A C6    1 
ATOM   122  N N6    . DA  A 1 6   ? -13.163 -0.303  18.424  1.00 61.81 ? 7   DA  A N6    1 
ATOM   123  N N1    . DA  A 1 6   ? -15.375 -0.976  18.517  1.00 58.54 ? 7   DA  A N1    1 
ATOM   124  C C2    . DA  A 1 6   ? -16.274 -1.969  18.545  1.00 59.29 ? 7   DA  A C2    1 
ATOM   125  N N3    . DA  A 1 6   ? -16.072 -3.286  18.540  1.00 56.10 ? 7   DA  A N3    1 
ATOM   126  C C4    . DA  A 1 6   ? -14.761 -3.565  18.491  1.00 58.59 ? 7   DA  A C4    1 
ATOM   127  P P     . DG  A 1 7   ? -15.356 -9.375  14.986  1.00 71.81 ? 8   DG  A P     1 
ATOM   128  O OP1   . DG  A 1 7   ? -15.605 -10.828 14.852  1.00 76.78 ? 8   DG  A OP1   1 
ATOM   129  O OP2   . DG  A 1 7   ? -14.095 -8.789  14.487  1.00 73.05 ? 8   DG  A OP2   1 
ATOM   130  O "O5'" . DG  A 1 7   ? -16.531 -8.568  14.280  1.00 74.62 ? 8   DG  A "O5'" 1 
ATOM   131  C "C5'" . DG  A 1 7   ? -16.245 -7.342  13.635  1.00 67.51 ? 8   DG  A "C5'" 1 
ATOM   132  C "C4'" . DG  A 1 7   ? -17.387 -6.370  13.834  1.00 70.55 ? 8   DG  A "C4'" 1 
ATOM   133  O "O4'" . DG  A 1 7   ? -17.059 -5.524  14.948  1.00 72.50 ? 8   DG  A "O4'" 1 
ATOM   134  C "C3'" . DG  A 1 7   ? -17.650 -5.435  12.666  1.00 70.76 ? 8   DG  A "C3'" 1 
ATOM   135  O "O3'" . DG  A 1 7   ? -18.656 -5.989  11.798  1.00 67.80 ? 8   DG  A "O3'" 1 
ATOM   136  C "C2'" . DG  A 1 7   ? -18.141 -4.157  13.342  1.00 68.99 ? 8   DG  A "C2'" 1 
ATOM   137  C "C1'" . DG  A 1 7   ? -17.481 -4.204  14.713  1.00 68.27 ? 8   DG  A "C1'" 1 
ATOM   138  N N9    . DG  A 1 7   ? -16.324 -3.330  14.836  1.00 65.57 ? 8   DG  A N9    1 
ATOM   139  C C8    . DG  A 1 7   ? -15.010 -3.704  15.000  1.00 64.02 ? 8   DG  A C8    1 
ATOM   140  N N7    . DG  A 1 7   ? -14.191 -2.692  15.102  1.00 64.42 ? 8   DG  A N7    1 
ATOM   141  C C5    . DG  A 1 7   ? -15.019 -1.579  15.014  1.00 67.25 ? 8   DG  A C5    1 
ATOM   142  C C6    . DG  A 1 7   ? -14.705 -0.200  15.063  1.00 66.73 ? 8   DG  A C6    1 
ATOM   143  O O6    . DG  A 1 7   ? -13.596 0.331   15.199  1.00 70.21 ? 8   DG  A O6    1 
ATOM   144  N N1    . DG  A 1 7   ? -15.844 0.592   14.928  1.00 72.01 ? 8   DG  A N1    1 
ATOM   145  C C2    . DG  A 1 7   ? -17.125 0.111   14.770  1.00 70.01 ? 8   DG  A C2    1 
ATOM   146  N N2    . DG  A 1 7   ? -18.098 1.028   14.661  1.00 73.38 ? 8   DG  A N2    1 
ATOM   147  N N3    . DG  A 1 7   ? -17.432 -1.178  14.726  1.00 67.57 ? 8   DG  A N3    1 
ATOM   148  C C4    . DG  A 1 7   ? -16.335 -1.960  14.852  1.00 68.00 ? 8   DG  A C4    1 
ATOM   149  P P     . DG  A 1 8   ? -18.563 -5.733  10.217  1.00 60.31 ? 9   DG  A P     1 
ATOM   150  O OP1   . DG  A 1 8   ? -19.680 -6.414  9.530   1.00 65.34 ? 9   DG  A OP1   1 
ATOM   151  O OP2   . DG  A 1 8   ? -17.162 -6.014  9.819   1.00 63.68 ? 9   DG  A OP2   1 
ATOM   152  O "O5'" . DG  A 1 8   ? -18.756 -4.158  10.072  1.00 57.67 ? 9   DG  A "O5'" 1 
ATOM   153  C "C5'" . DG  A 1 8   ? -19.955 -3.566  10.494  1.00 59.74 ? 9   DG  A "C5'" 1 
ATOM   154  C "C4'" . DG  A 1 8   ? -19.824 -2.065  10.513  1.00 52.21 ? 9   DG  A "C4'" 1 
ATOM   155  O "O4'" . DG  A 1 8   ? -18.772 -1.682  11.413  1.00 74.36 ? 9   DG  A "O4'" 1 
ATOM   156  C "C3'" . DG  A 1 8   ? -19.394 -1.457  9.208   1.00 63.73 ? 9   DG  A "C3'" 1 
ATOM   157  O "O3'" . DG  A 1 8   ? -20.508 -1.267  8.371   1.00 59.36 ? 9   DG  A "O3'" 1 
ATOM   158  C "C2'" . DG  A 1 8   ? -18.801 -0.114  9.651   1.00 75.39 ? 9   DG  A "C2'" 1 
ATOM   159  C "C1'" . DG  A 1 8   ? -18.402 -0.358  11.107  1.00 71.12 ? 9   DG  A "C1'" 1 
ATOM   160  N N9    . DG  A 1 8   ? -16.970 -0.197  11.323  1.00 61.85 ? 9   DG  A N9    1 
ATOM   161  C C8    . DG  A 1 8   ? -16.020 -1.186  11.396  1.00 68.23 ? 9   DG  A C8    1 
ATOM   162  N N7    . DG  A 1 8   ? -14.813 -0.729  11.603  1.00 66.41 ? 9   DG  A N7    1 
ATOM   163  C C5    . DG  A 1 8   ? -14.979 0.650   11.668  1.00 63.92 ? 9   DG  A C5    1 
ATOM   164  C C6    . DG  A 1 8   ? -14.028 1.675   11.874  1.00 52.88 ? 9   DG  A C6    1 
ATOM   165  O O6    . DG  A 1 8   ? -12.810 1.566   12.042  1.00 59.02 ? 9   DG  A O6    1 
ATOM   166  N N1    . DG  A 1 8   ? -14.616 2.934   11.872  1.00 53.42 ? 9   DG  A N1    1 
ATOM   167  C C2    . DG  A 1 8   ? -15.958 3.173   11.697  1.00 59.85 ? 9   DG  A C2    1 
ATOM   168  N N2    . DG  A 1 8   ? -16.342 4.456   11.726  1.00 56.73 ? 9   DG  A N2    1 
ATOM   169  N N3    . DG  A 1 8   ? -16.860 2.221   11.500  1.00 61.97 ? 9   DG  A N3    1 
ATOM   170  C C4    . DG  A 1 8   ? -16.300 0.989   11.498  1.00 62.46 ? 9   DG  A C4    1 
ATOM   171  P P     . DG  A 1 9   ? -20.281 -0.813  6.854   1.00 63.69 ? 10  DG  A P     1 
ATOM   172  O OP1   . DG  A 1 9   ? -21.567 -1.043  6.157   1.00 73.06 ? 10  DG  A OP1   1 
ATOM   173  O OP2   . DG  A 1 9   ? -19.033 -1.446  6.364   1.00 68.12 ? 10  DG  A OP2   1 
ATOM   174  O "O5'" . DG  A 1 9   ? -20.001 0.753   6.991   1.00 60.73 ? 10  DG  A "O5'" 1 
ATOM   175  C "C5'" . DG  A 1 9   ? -20.991 1.601   7.545   1.00 63.19 ? 10  DG  A "C5'" 1 
ATOM   176  C "C4'" . DG  A 1 9   ? -20.793 3.031   7.086   1.00 70.59 ? 10  DG  A "C4'" 1 
ATOM   177  O "O4'" . DG  A 1 9   ? -19.651 3.612   7.762   1.00 74.32 ? 10  DG  A "O4'" 1 
ATOM   178  C "C3'" . DG  A 1 9   ? -20.544 3.192   5.601   1.00 65.76 ? 10  DG  A "C3'" 1 
ATOM   179  O "O3'" . DG  A 1 9   ? -21.189 4.357   5.117   1.00 71.21 ? 10  DG  A "O3'" 1 
ATOM   180  C "C2'" . DG  A 1 9   ? -19.022 3.296   5.492   1.00 70.05 ? 10  DG  A "C2'" 1 
ATOM   181  C "C1'" . DG  A 1 9   ? -18.599 3.855   6.848   1.00 72.62 ? 10  DG  A "C1'" 1 
ATOM   182  N N9    . DG  A 1 9   ? -17.376 3.245   7.370   1.00 67.09 ? 10  DG  A N9    1 
ATOM   183  C C8    . DG  A 1 9   ? -17.092 1.904   7.452   1.00 62.70 ? 10  DG  A C8    1 
ATOM   184  N N7    . DG  A 1 9   ? -15.920 1.653   7.971   1.00 67.97 ? 10  DG  A N7    1 
ATOM   185  C C5    . DG  A 1 9   ? -15.392 2.910   8.248   1.00 61.66 ? 10  DG  A C5    1 
ATOM   186  C C6    . DG  A 1 9   ? -14.144 3.272   8.810   1.00 59.77 ? 10  DG  A C6    1 
ATOM   187  O O6    . DG  A 1 9   ? -13.226 2.530   9.184   1.00 55.37 ? 10  DG  A O6    1 
ATOM   188  N N1    . DG  A 1 9   ? -14.009 4.654   8.917   1.00 61.52 ? 10  DG  A N1    1 
ATOM   189  C C2    . DG  A 1 9   ? -14.958 5.569   8.527   1.00 59.69 ? 10  DG  A C2    1 
ATOM   190  N N2    . DG  A 1 9   ? -14.648 6.861   8.704   1.00 56.04 ? 10  DG  A N2    1 
ATOM   191  N N3    . DG  A 1 9   ? -16.129 5.243   8.001   1.00 56.70 ? 10  DG  A N3    1 
ATOM   192  C C4    . DG  A 1 9   ? -16.277 3.900   7.889   1.00 62.58 ? 10  DG  A C4    1 
ATOM   193  P P     . DA  A 1 10  ? -21.088 4.720   3.557   1.00 79.24 ? 11  DA  A P     1 
ATOM   194  O OP1   . DA  A 1 10  ? -22.196 5.643   3.228   1.00 96.99 ? 11  DA  A OP1   1 
ATOM   195  O OP2   . DA  A 1 10  ? -20.929 3.443   2.828   1.00 67.09 ? 11  DA  A OP2   1 
ATOM   196  O "O5'" . DA  A 1 10  ? -19.731 5.545   3.446   1.00 78.70 ? 11  DA  A "O5'" 1 
ATOM   197  C "C5'" . DA  A 1 10  ? -19.516 6.648   4.303   1.00 81.27 ? 11  DA  A "C5'" 1 
ATOM   198  C "C4'" . DA  A 1 10  ? -18.153 7.253   4.051   1.00 74.52 ? 11  DA  A "C4'" 1 
ATOM   199  O "O4'" . DA  A 1 10  ? -17.134 6.508   4.775   1.00 74.96 ? 11  DA  A "O4'" 1 
ATOM   200  C "C3'" . DA  A 1 10  ? -17.719 7.247   2.587   1.00 74.59 ? 11  DA  A "C3'" 1 
ATOM   201  O "O3'" . DA  A 1 10  ? -17.085 8.452   2.293   1.00 77.52 ? 11  DA  A "O3'" 1 
ATOM   202  C "C2'" . DA  A 1 10  ? -16.729 6.086   2.529   1.00 74.29 ? 11  DA  A "C2'" 1 
ATOM   203  C "C1'" . DA  A 1 10  ? -16.078 6.215   3.892   1.00 69.46 ? 11  DA  A "C1'" 1 
ATOM   204  N N9    . DA  A 1 10  ? -15.387 5.008   4.344   1.00 69.95 ? 11  DA  A N9    1 
ATOM   205  C C8    . DA  A 1 10  ? -15.783 3.707   4.178   1.00 65.41 ? 11  DA  A C8    1 
ATOM   206  N N7    . DA  A 1 10  ? -14.949 2.831   4.695   1.00 67.14 ? 11  DA  A N7    1 
ATOM   207  C C5    . DA  A 1 10  ? -13.940 3.614   5.241   1.00 64.17 ? 11  DA  A C5    1 
ATOM   208  C C6    . DA  A 1 10  ? -12.748 3.295   5.933   1.00 56.31 ? 11  DA  A C6    1 
ATOM   209  N N6    . DA  A 1 10  ? -12.369 2.043   6.216   1.00 53.71 ? 11  DA  A N6    1 
ATOM   210  N N1    . DA  A 1 10  ? -11.965 4.319   6.337   1.00 55.32 ? 11  DA  A N1    1 
ATOM   211  C C2    . DA  A 1 10  ? -12.349 5.573   6.060   1.00 61.80 ? 11  DA  A C2    1 
ATOM   212  N N3    . DA  A 1 10  ? -13.439 5.996   5.416   1.00 66.02 ? 11  DA  A N3    1 
ATOM   213  C C4    . DA  A 1 10  ? -14.199 4.957   5.032   1.00 64.14 ? 11  DA  A C4    1 
ATOM   214  P P     . DA  A 1 11  ? -17.527 9.303   1.009   1.00 75.80 ? 12  DA  A P     1 
ATOM   215  O OP1   . DA  A 1 11  ? -18.772 10.029  1.368   1.00 69.68 ? 12  DA  A OP1   1 
ATOM   216  O OP2   . DA  A 1 11  ? -17.479 8.401   -0.162  1.00 57.82 ? 12  DA  A OP2   1 
ATOM   217  O "O5'" . DA  A 1 11  ? -16.349 10.357  0.874   1.00 73.83 ? 12  DA  A "O5'" 1 
ATOM   218  C "C5'" . DA  A 1 11  ? -15.961 11.081  2.018   1.00 62.16 ? 12  DA  A "C5'" 1 
ATOM   219  C "C4'" . DA  A 1 11  ? -14.460 11.051  2.160   1.00 61.79 ? 12  DA  A "C4'" 1 
ATOM   220  O "O4'" . DA  A 1 11  ? -14.043 9.729   2.579   1.00 68.28 ? 12  DA  A "O4'" 1 
ATOM   221  C "C3'" . DA  A 1 11  ? -13.699 11.355  0.877   1.00 66.81 ? 12  DA  A "C3'" 1 
ATOM   222  O "O3'" . DA  A 1 11  ? -12.753 12.361  1.134   1.00 70.60 ? 12  DA  A "O3'" 1 
ATOM   223  C "C2'" . DA  A 1 11  ? -13.028 10.023  0.512   1.00 62.23 ? 12  DA  A "C2'" 1 
ATOM   224  C "C1'" . DA  A 1 11  ? -12.893 9.359   1.870   1.00 63.70 ? 12  DA  A "C1'" 1 
ATOM   225  N N9    . DA  A 1 11  ? -12.852 7.905   1.808   1.00 66.91 ? 12  DA  A N9    1 
ATOM   226  C C8    . DA  A 1 11  ? -13.773 7.079   1.226   1.00 65.02 ? 12  DA  A C8    1 
ATOM   227  N N7    . DA  A 1 11  ? -13.482 5.804   1.338   1.00 64.90 ? 12  DA  A N7    1 
ATOM   228  C C5    . DA  A 1 11  ? -12.293 5.795   2.051   1.00 59.43 ? 12  DA  A C5    1 
ATOM   229  C C6    . DA  A 1 11  ? -11.460 4.749   2.500   1.00 55.28 ? 12  DA  A C6    1 
ATOM   230  N N6    . DA  A 1 11  ? -11.725 3.458   2.293   1.00 53.51 ? 12  DA  A N6    1 
ATOM   231  N N1    . DA  A 1 11  ? -10.349 5.083   3.190   1.00 51.70 ? 12  DA  A N1    1 
ATOM   232  C C2    . DA  A 1 11  ? -10.089 6.378   3.407   1.00 57.34 ? 12  DA  A C2    1 
ATOM   233  N N3    . DA  A 1 11  ? -10.792 7.447   3.030   1.00 64.46 ? 12  DA  A N3    1 
ATOM   234  C C4    . DA  A 1 11  ? -11.893 7.081   2.351   1.00 60.27 ? 12  DA  A C4    1 
ATOM   235  P P     . DT  A 1 12  ? -11.773 12.849  -0.033  1.00 76.84 ? 13  DT  A P     1 
ATOM   236  O OP1   . DT  A 1 12  ? -11.434 14.245  0.321   1.00 75.95 ? 13  DT  A OP1   1 
ATOM   237  O OP2   . DT  A 1 12  ? -12.382 12.524  -1.344  1.00 77.42 ? 13  DT  A OP2   1 
ATOM   238  O "O5'" . DT  A 1 12  ? -10.481 11.926  0.137   1.00 74.95 ? 13  DT  A "O5'" 1 
ATOM   239  C "C5'" . DT  A 1 12  ? -9.802  11.904  1.366   1.00 61.10 ? 13  DT  A "C5'" 1 
ATOM   240  C "C4'" . DT  A 1 12  ? -8.596  10.986  1.307   1.00 70.54 ? 13  DT  A "C4'" 1 
ATOM   241  O "O4'" . DT  A 1 12  ? -9.024  9.607   1.346   1.00 66.21 ? 13  DT  A "O4'" 1 
ATOM   242  C "C3'" . DT  A 1 12  ? -7.716  11.117  0.057   1.00 64.54 ? 13  DT  A "C3'" 1 
ATOM   243  O "O3'" . DT  A 1 12  ? -6.396  11.400  0.450   1.00 78.91 ? 13  DT  A "O3'" 1 
ATOM   244  C "C2'" . DT  A 1 12  ? -7.802  9.739   -0.617  1.00 64.10 ? 13  DT  A "C2'" 1 
ATOM   245  C "C1'" . DT  A 1 12  ? -8.158  8.844   0.556   1.00 53.69 ? 13  DT  A "C1'" 1 
ATOM   246  N N1    . DT  A 1 12  ? -8.838  7.586   0.187   1.00 55.65 ? 13  DT  A N1    1 
ATOM   247  C C2    . DT  A 1 12  ? -8.271  6.393   0.560   1.00 54.30 ? 13  DT  A C2    1 
ATOM   248  O O2    . DT  A 1 12  ? -7.242  6.321   1.206   1.00 54.67 ? 13  DT  A O2    1 
ATOM   249  N N3    . DT  A 1 12  ? -8.969  5.280   0.178   1.00 55.65 ? 13  DT  A N3    1 
ATOM   250  C C4    . DT  A 1 12  ? -10.148 5.241   -0.544  1.00 55.94 ? 13  DT  A C4    1 
ATOM   251  O O4    . DT  A 1 12  ? -10.698 4.186   -0.847  1.00 55.19 ? 13  DT  A O4    1 
ATOM   252  C C5    . DT  A 1 12  ? -10.684 6.530   -0.920  1.00 65.59 ? 13  DT  A C5    1 
ATOM   253  C C7    . DT  A 1 12  ? -11.959 6.619   -1.712  1.00 61.56 ? 13  DT  A C7    1 
ATOM   254  C C6    . DT  A 1 12  ? -10.008 7.629   -0.540  1.00 67.27 ? 13  DT  A C6    1 
ATOM   255  P P     . DT  A 1 13  ? -5.383  12.115  -0.568  1.00 78.89 ? 14  DT  A P     1 
ATOM   256  O OP1   . DT  A 1 13  ? -4.600  13.084  0.236   1.00 82.61 ? 14  DT  A OP1   1 
ATOM   257  O OP2   . DT  A 1 13  ? -6.119  12.587  -1.767  1.00 73.51 ? 14  DT  A OP2   1 
ATOM   258  O "O5'" . DT  A 1 13  ? -4.446  10.896  -1.004  1.00 75.88 ? 14  DT  A "O5'" 1 
ATOM   259  C "C5'" . DT  A 1 13  ? -3.855  10.071  0.012   1.00 68.63 ? 14  DT  A "C5'" 1 
ATOM   260  C "C4'" . DT  A 1 13  ? -3.065  8.930   -0.602  1.00 72.47 ? 14  DT  A "C4'" 1 
ATOM   261  O "O4'" . DT  A 1 13  ? -3.913  7.755   -0.701  1.00 68.97 ? 14  DT  A "O4'" 1 
ATOM   262  C "C3'" . DT  A 1 13  ? -2.529  9.189   -2.011  1.00 61.12 ? 14  DT  A "C3'" 1 
ATOM   263  O "O3'" . DT  A 1 13  ? -1.305  8.516   -2.184  1.00 75.47 ? 14  DT  A "O3'" 1 
ATOM   264  C "C2'" . DT  A 1 13  ? -3.592  8.514   -2.867  1.00 66.61 ? 14  DT  A "C2'" 1 
ATOM   265  C "C1'" . DT  A 1 13  ? -3.875  7.283   -2.020  1.00 55.45 ? 14  DT  A "C1'" 1 
ATOM   266  N N1    . DT  A 1 13  ? -5.163  6.596   -2.347  1.00 57.41 ? 14  DT  A N1    1 
ATOM   267  C C2    . DT  A 1 13  ? -5.259  5.236   -2.159  1.00 51.41 ? 14  DT  A C2    1 
ATOM   268  O O2    . DT  A 1 13  ? -4.353  4.562   -1.688  1.00 51.84 ? 14  DT  A O2    1 
ATOM   269  N N3    . DT  A 1 13  ? -6.469  4.693   -2.516  1.00 50.48 ? 14  DT  A N3    1 
ATOM   270  C C4    . DT  A 1 13  ? -7.565  5.364   -3.034  1.00 51.21 ? 14  DT  A C4    1 
ATOM   271  O O4    . DT  A 1 13  ? -8.609  4.796   -3.310  1.00 51.13 ? 14  DT  A O4    1 
ATOM   272  C C5    . DT  A 1 13  ? -7.388  6.784   -3.221  1.00 52.34 ? 14  DT  A C5    1 
ATOM   273  C C7    . DT  A 1 13  ? -8.506  7.614   -3.775  1.00 60.58 ? 14  DT  A C7    1 
ATOM   274  C C6    . DT  A 1 13  ? -6.210  7.324   -2.877  1.00 55.52 ? 14  DT  A C6    1 
ATOM   275  P P     . DG  A 1 14  ? 0.031   9.304   -2.609  1.00 73.00 ? 15  DG  A P     1 
ATOM   276  O OP1   . DG  A 1 14  ? 0.347   10.255  -1.526  1.00 74.87 ? 15  DG  A OP1   1 
ATOM   277  O OP2   . DG  A 1 14  ? -0.096  9.789   -4.003  1.00 72.08 ? 15  DG  A OP2   1 
ATOM   278  O "O5'" . DG  A 1 14  ? 1.128   8.152   -2.591  1.00 63.99 ? 15  DG  A "O5'" 1 
ATOM   279  C "C5'" . DG  A 1 14  ? 1.171   7.252   -1.506  1.00 53.74 ? 15  DG  A "C5'" 1 
ATOM   280  C "C4'" . DG  A 1 14  ? 1.634   5.882   -1.961  1.00 55.34 ? 15  DG  A "C4'" 1 
ATOM   281  O "O4'" . DG  A 1 14  ? 0.504   5.078   -2.383  1.00 63.89 ? 15  DG  A "O4'" 1 
ATOM   282  C "C3'" . DG  A 1 14  ? 2.584   5.878   -3.137  1.00 57.77 ? 15  DG  A "C3'" 1 
ATOM   283  O "O3'" . DG  A 1 14  ? 3.379   4.750   -3.036  1.00 57.34 ? 15  DG  A "O3'" 1 
ATOM   284  C "C2'" . DG  A 1 14  ? 1.634   5.773   -4.330  1.00 57.90 ? 15  DG  A "C2'" 1 
ATOM   285  C "C1'" . DG  A 1 14  ? 0.562   4.836   -3.782  1.00 60.27 ? 15  DG  A "C1'" 1 
ATOM   286  N N9    . DG  A 1 14  ? -0.786  5.052   -4.328  1.00 62.97 ? 15  DG  A N9    1 
ATOM   287  C C8    . DG  A 1 14  ? -1.345  6.250   -4.703  1.00 63.63 ? 15  DG  A C8    1 
ATOM   288  N N7    . DG  A 1 14  ? -2.574  6.141   -5.139  1.00 59.85 ? 15  DG  A N7    1 
ATOM   289  C C5    . DG  A 1 14  ? -2.858  4.784   -5.034  1.00 56.33 ? 15  DG  A C5    1 
ATOM   290  C C6    . DG  A 1 14  ? -4.046  4.071   -5.351  1.00 53.52 ? 15  DG  A C6    1 
ATOM   291  O O6    . DG  A 1 14  ? -5.112  4.516   -5.801  1.00 50.98 ? 15  DG  A O6    1 
ATOM   292  N N1    . DG  A 1 14  ? -3.912  2.706   -5.104  1.00 49.79 ? 15  DG  A N1    1 
ATOM   293  C C2    . DG  A 1 14  ? -2.775  2.107   -4.605  1.00 53.67 ? 15  DG  A C2    1 
ATOM   294  N N2    . DG  A 1 14  ? -2.831  0.780   -4.429  1.00 52.16 ? 15  DG  A N2    1 
ATOM   295  N N3    . DG  A 1 14  ? -1.661  2.763   -4.298  1.00 52.95 ? 15  DG  A N3    1 
ATOM   296  C C4    . DG  A 1 14  ? -1.772  4.095   -4.538  1.00 59.11 ? 15  DG  A C4    1 
ATOM   297  P P     . DG  A 1 15  ? 4.790   4.697   -3.784  1.00 66.46 ? 16  DG  A P     1 
ATOM   298  O OP1   . DG  A 1 15  ? 5.739   4.031   -2.863  1.00 72.58 ? 16  DG  A OP1   1 
ATOM   299  O OP2   . DG  A 1 15  ? 5.062   6.060   -4.299  1.00 70.87 ? 16  DG  A OP2   1 
ATOM   300  O "O5'" . DG  A 1 15  ? 4.491   3.720   -5.014  1.00 69.62 ? 16  DG  A "O5'" 1 
ATOM   301  C "C5'" . DG  A 1 15  ? 3.975   2.416   -4.758  1.00 64.49 ? 16  DG  A "C5'" 1 
ATOM   302  C "C4'" . DG  A 1 15  ? 3.128   1.940   -5.923  1.00 60.44 ? 16  DG  A "C4'" 1 
ATOM   303  O "O4'" . DG  A 1 15  ? 1.946   2.747   -6.028  1.00 63.60 ? 16  DG  A "O4'" 1 
ATOM   304  C "C3'" . DG  A 1 15  ? 3.789   2.041   -7.293  1.00 59.72 ? 16  DG  A "C3'" 1 
ATOM   305  O "O3'" . DG  A 1 15  ? 4.310   0.770   -7.675  1.00 66.55 ? 16  DG  A "O3'" 1 
ATOM   306  C "C2'" . DG  A 1 15  ? 2.650   2.505   -8.231  1.00 58.08 ? 16  DG  A "C2'" 1 
ATOM   307  C "C1'" . DG  A 1 15  ? 1.430   2.544   -7.309  1.00 59.31 ? 16  DG  A "C1'" 1 
ATOM   308  N N9    . DG  A 1 15  ? 0.476   3.616   -7.605  1.00 59.76 ? 16  DG  A N9    1 
ATOM   309  C C8    . DG  A 1 15  ? 0.718   4.969   -7.606  1.00 60.37 ? 16  DG  A C8    1 
ATOM   310  N N7    . DG  A 1 15  ? -0.339  5.686   -7.881  1.00 62.25 ? 16  DG  A N7    1 
ATOM   311  C C5    . DG  A 1 15  ? -1.349  4.748   -8.066  1.00 54.69 ? 16  DG  A C5    1 
ATOM   312  C C6    . DG  A 1 15  ? -2.714  4.930   -8.401  1.00 57.41 ? 16  DG  A C6    1 
ATOM   313  O O6    . DG  A 1 15  ? -3.319  5.994   -8.603  1.00 61.90 ? 16  DG  A O6    1 
ATOM   314  N N1    . DG  A 1 15  ? -3.391  3.712   -8.494  1.00 53.40 ? 16  DG  A N1    1 
ATOM   315  C C2    . DG  A 1 15  ? -2.816  2.476   -8.300  1.00 55.11 ? 16  DG  A C2    1 
ATOM   316  N N2    . DG  A 1 15  ? -3.624  1.412   -8.441  1.00 50.12 ? 16  DG  A N2    1 
ATOM   317  N N3    . DG  A 1 15  ? -1.536  2.294   -7.994  1.00 53.58 ? 16  DG  A N3    1 
ATOM   318  C C4    . DG  A 1 15  ? -0.865  3.470   -7.898  1.00 53.96 ? 16  DG  A C4    1 
ATOM   319  P P     . DC  B 2 1   ? -12.744 1.819   -12.751 1.00 68.09 ? 2   DC  B P     1 
ATOM   320  O OP1   . DC  B 2 1   ? -13.599 0.783   -13.375 1.00 71.23 ? 2   DC  B OP1   1 
ATOM   321  O OP2   . DC  B 2 1   ? -13.357 3.034   -12.156 1.00 58.91 ? 2   DC  B OP2   1 
ATOM   322  O "O5'" . DC  B 2 1   ? -11.863 1.089   -11.645 1.00 55.75 ? 2   DC  B "O5'" 1 
ATOM   323  C "C5'" . DC  B 2 1   ? -10.938 0.126   -12.054 1.00 41.93 ? 2   DC  B "C5'" 1 
ATOM   324  C "C4'" . DC  B 2 1   ? -10.002 -0.209  -10.931 1.00 45.51 ? 2   DC  B "C4'" 1 
ATOM   325  O "O4'" . DC  B 2 1   ? -8.945  0.771   -10.884 1.00 47.69 ? 2   DC  B "O4'" 1 
ATOM   326  C "C3'" . DC  B 2 1   ? -10.642 -0.210  -9.542  1.00 53.35 ? 2   DC  B "C3'" 1 
ATOM   327  O "O3'" . DC  B 2 1   ? -10.150 -1.296  -8.855  1.00 53.28 ? 2   DC  B "O3'" 1 
ATOM   328  C "C2'" . DC  B 2 1   ? -10.124 1.089   -8.928  1.00 55.81 ? 2   DC  B "C2'" 1 
ATOM   329  C "C1'" . DC  B 2 1   ? -8.741  1.146   -9.552  1.00 53.18 ? 2   DC  B "C1'" 1 
ATOM   330  N N1    . DC  B 2 1   ? -8.098  2.480   -9.527  1.00 47.01 ? 2   DC  B N1    1 
ATOM   331  C C2    . DC  B 2 1   ? -6.729  2.554   -9.282  1.00 52.54 ? 2   DC  B C2    1 
ATOM   332  O O2    . DC  B 2 1   ? -6.097  1.502   -9.135  1.00 50.88 ? 2   DC  B O2    1 
ATOM   333  N N3    . DC  B 2 1   ? -6.125  3.769   -9.258  1.00 47.61 ? 2   DC  B N3    1 
ATOM   334  C C4    . DC  B 2 1   ? -6.852  4.875   -9.429  1.00 49.17 ? 2   DC  B C4    1 
ATOM   335  N N4    . DC  B 2 1   ? -6.217  6.053   -9.389  1.00 54.56 ? 2   DC  B N4    1 
ATOM   336  C C5    . DC  B 2 1   ? -8.261  4.818   -9.663  1.00 57.31 ? 2   DC  B C5    1 
ATOM   337  C C6    . DC  B 2 1   ? -8.837  3.609   -9.693  1.00 53.25 ? 2   DC  B C6    1 
ATOM   338  P P     . DC  B 2 2   ? -11.109 -2.195  -7.958  1.00 53.28 ? 3   DC  B P     1 
ATOM   339  O OP1   . DC  B 2 2   ? -12.040 -2.898  -8.876  1.00 40.71 ? 3   DC  B OP1   1 
ATOM   340  O OP2   . DC  B 2 2   ? -11.627 -1.321  -6.882  1.00 61.78 ? 3   DC  B OP2   1 
ATOM   341  O "O5'" . DC  B 2 2   ? -10.092 -3.256  -7.337  1.00 45.19 ? 3   DC  B "O5'" 1 
ATOM   342  C "C5'" . DC  B 2 2   ? -9.269  -4.028  -8.189  1.00 39.35 ? 3   DC  B "C5'" 1 
ATOM   343  C "C4'" . DC  B 2 2   ? -7.808  -4.001  -7.734  1.00 44.38 ? 3   DC  B "C4'" 1 
ATOM   344  O "O4'" . DC  B 2 2   ? -7.318  -2.642  -7.670  1.00 41.94 ? 3   DC  B "O4'" 1 
ATOM   345  C "C3'" . DC  B 2 2   ? -7.528  -4.602  -6.357  1.00 39.33 ? 3   DC  B "C3'" 1 
ATOM   346  O "O3'" . DC  B 2 2   ? -6.306  -5.324  -6.407  1.00 34.17 ? 3   DC  B "O3'" 1 
ATOM   347  C "C2'" . DC  B 2 2   ? -7.410  -3.363  -5.454  1.00 42.65 ? 3   DC  B "C2'" 1 
ATOM   348  C "C1'" . DC  B 2 2   ? -6.729  -2.395  -6.405  1.00 43.56 ? 3   DC  B "C1'" 1 
ATOM   349  N N1    . DC  B 2 2   ? -6.922  -0.940  -6.099  1.00 39.39 ? 3   DC  B N1    1 
ATOM   350  C C2    . DC  B 2 2   ? -5.807  -0.135  -5.835  1.00 46.72 ? 3   DC  B C2    1 
ATOM   351  O O2    . DC  B 2 2   ? -4.676  -0.648  -5.822  1.00 55.48 ? 3   DC  B O2    1 
ATOM   352  N N3    . DC  B 2 2   ? -5.991  1.190   -5.629  1.00 44.00 ? 3   DC  B N3    1 
ATOM   353  C C4    . DC  B 2 2   ? -7.215  1.705   -5.661  1.00 42.73 ? 3   DC  B C4    1 
ATOM   354  N N4    . DC  B 2 2   ? -7.341  3.012   -5.438  1.00 47.55 ? 3   DC  B N4    1 
ATOM   355  C C5    . DC  B 2 2   ? -8.365  0.905   -5.925  1.00 41.08 ? 3   DC  B C5    1 
ATOM   356  C C6    . DC  B 2 2   ? -8.171  -0.398  -6.148  1.00 42.71 ? 3   DC  B C6    1 
ATOM   357  P P     . DA  B 2 3   ? -6.106  -6.619  -5.484  1.00 43.70 ? 4   DA  B P     1 
ATOM   358  O OP1   . DA  B 2 3   ? -5.045  -7.415  -6.137  1.00 41.73 ? 4   DA  B OP1   1 
ATOM   359  O OP2   . DA  B 2 3   ? -7.386  -7.262  -5.113  1.00 35.07 ? 4   DA  B OP2   1 
ATOM   360  O "O5'" . DA  B 2 3   ? -5.555  -5.961  -4.122  1.00 39.65 ? 4   DA  B "O5'" 1 
ATOM   361  C "C5'" . DA  B 2 3   ? -4.282  -5.331  -4.103  1.00 35.59 ? 4   DA  B "C5'" 1 
ATOM   362  C "C4'" . DA  B 2 3   ? -4.124  -4.474  -2.862  1.00 45.22 ? 4   DA  B "C4'" 1 
ATOM   363  O "O4'" . DA  B 2 3   ? -4.831  -3.217  -3.055  1.00 37.82 ? 4   DA  B "O4'" 1 
ATOM   364  C "C3'" . DA  B 2 3   ? -4.673  -5.073  -1.544  1.00 39.14 ? 4   DA  B "C3'" 1 
ATOM   365  O "O3'" . DA  B 2 3   ? -3.674  -5.006  -0.503  1.00 38.33 ? 4   DA  B "O3'" 1 
ATOM   366  C "C2'" . DA  B 2 3   ? -5.871  -4.176  -1.225  1.00 36.95 ? 4   DA  B "C2'" 1 
ATOM   367  C "C1'" . DA  B 2 3   ? -5.417  -2.859  -1.827  1.00 38.79 ? 4   DA  B "C1'" 1 
ATOM   368  N N9    . DA  B 2 3   ? -6.486  -1.895  -2.037  1.00 41.27 ? 4   DA  B N9    1 
ATOM   369  C C8    . DA  B 2 3   ? -7.811  -2.154  -2.283  1.00 41.97 ? 4   DA  B C8    1 
ATOM   370  N N7    . DA  B 2 3   ? -8.541  -1.070  -2.452  1.00 38.97 ? 4   DA  B N7    1 
ATOM   371  C C5    . DA  B 2 3   ? -7.625  -0.034  -2.340  1.00 45.34 ? 4   DA  B C5    1 
ATOM   372  C C6    . DA  B 2 3   ? -7.762  1.367   -2.420  1.00 49.31 ? 4   DA  B C6    1 
ATOM   373  N N6    . DA  B 2 3   ? -8.928  1.982   -2.654  1.00 43.73 ? 4   DA  B N6    1 
ATOM   374  N N1    . DA  B 2 3   ? -6.644  2.117   -2.261  1.00 50.84 ? 4   DA  B N1    1 
ATOM   375  C C2    . DA  B 2 3   ? -5.475  1.499   -2.027  1.00 46.87 ? 4   DA  B C2    1 
ATOM   376  N N3    . DA  B 2 3   ? -5.226  0.190   -1.920  1.00 45.92 ? 4   DA  B N3    1 
ATOM   377  C C4    . DA  B 2 3   ? -6.353  -0.526  -2.090  1.00 40.93 ? 4   DA  B C4    1 
ATOM   378  P P     . DA  B 2 4   ? -3.803  -5.904  0.835   1.00 40.64 ? 5   DA  B P     1 
ATOM   379  O OP1   . DA  B 2 4   ? -2.548  -5.837  1.602   1.00 41.81 ? 5   DA  B OP1   1 
ATOM   380  O OP2   . DA  B 2 4   ? -4.384  -7.206  0.409   1.00 40.39 ? 5   DA  B OP2   1 
ATOM   381  O "O5'" . DA  B 2 4   ? -4.920  -5.173  1.693   1.00 40.09 ? 5   DA  B "O5'" 1 
ATOM   382  C "C5'" . DA  B 2 4   ? -4.534  -4.419  2.815   1.00 40.93 ? 5   DA  B "C5'" 1 
ATOM   383  C "C4'" . DA  B 2 4   ? -4.013  -3.059  2.383   1.00 41.84 ? 5   DA  B "C4'" 1 
ATOM   384  O "O4'" . DA  B 2 4   ? -4.967  -2.443  1.476   1.00 45.18 ? 5   DA  B "O4'" 1 
ATOM   385  C "C3'" . DA  B 2 4   ? -3.803  -2.077  3.526   1.00 47.80 ? 5   DA  B "C3'" 1 
ATOM   386  O "O3'" . DA  B 2 4   ? -2.494  -1.579  3.500   1.00 47.96 ? 5   DA  B "O3'" 1 
ATOM   387  C "C2'" . DA  B 2 4   ? -4.824  -0.966  3.269   1.00 45.94 ? 5   DA  B "C2'" 1 
ATOM   388  C "C1'" . DA  B 2 4   ? -5.079  -1.075  1.774   1.00 43.90 ? 5   DA  B "C1'" 1 
ATOM   389  N N9    . DA  B 2 4   ? -6.428  -0.646  1.424   1.00 45.81 ? 5   DA  B N9    1 
ATOM   390  C C8    . DA  B 2 4   ? -7.528  -1.442  1.274   1.00 40.48 ? 5   DA  B C8    1 
ATOM   391  N N7    . DA  B 2 4   ? -8.619  -0.781  0.981   1.00 42.96 ? 5   DA  B N7    1 
ATOM   392  C C5    . DA  B 2 4   ? -8.211  0.542   0.937   1.00 42.91 ? 5   DA  B C5    1 
ATOM   393  C C6    . DA  B 2 4   ? -8.909  1.742   0.678   1.00 44.56 ? 5   DA  B C6    1 
ATOM   394  N N6    . DA  B 2 4   ? -10.218 1.785   0.400   1.00 44.28 ? 5   DA  B N6    1 
ATOM   395  N N1    . DA  B 2 4   ? -8.212  2.893   0.712   1.00 46.90 ? 5   DA  B N1    1 
ATOM   396  C C2    . DA  B 2 4   ? -6.900  2.840   0.987   1.00 49.62 ? 5   DA  B C2    1 
ATOM   397  N N3    . DA  B 2 4   ? -6.140  1.776   1.252   1.00 47.70 ? 5   DA  B N3    1 
ATOM   398  C C4    . DA  B 2 4   ? -6.865  0.646   1.210   1.00 44.67 ? 5   DA  B C4    1 
ATOM   399  P P     . DT  B 2 5   ? -1.881  -0.962  4.839   1.00 48.84 ? 6   DT  B P     1 
ATOM   400  O OP1   . DT  B 2 5   ? -0.394  -0.901  4.745   1.00 50.97 ? 6   DT  B OP1   1 
ATOM   401  O OP2   . DT  B 2 5   ? -2.539  -1.685  5.946   1.00 48.03 ? 6   DT  B OP2   1 
ATOM   402  O "O5'" . DT  B 2 5   ? -2.434  0.530   4.853   1.00 51.47 ? 6   DT  B "O5'" 1 
ATOM   403  C "C5'" . DT  B 2 5   ? -2.099  1.401   3.799   1.00 51.19 ? 6   DT  B "C5'" 1 
ATOM   404  C "C4'" . DT  B 2 5   ? -2.517  2.811   4.130   1.00 53.40 ? 6   DT  B "C4'" 1 
ATOM   405  O "O4'" . DT  B 2 5   ? -3.892  3.007   3.732   1.00 51.93 ? 6   DT  B "O4'" 1 
ATOM   406  C "C3'" . DT  B 2 5   ? -2.436  3.204   5.606   1.00 55.48 ? 6   DT  B "C3'" 1 
ATOM   407  O "O3'" . DT  B 2 5   ? -1.978  4.535   5.682   1.00 58.75 ? 6   DT  B "O3'" 1 
ATOM   408  C "C2'" . DT  B 2 5   ? -3.897  3.096   6.069   1.00 53.94 ? 6   DT  B "C2'" 1 
ATOM   409  C "C1'" . DT  B 2 5   ? -4.619  3.554   4.810   1.00 54.52 ? 6   DT  B "C1'" 1 
ATOM   410  N N1    . DT  B 2 5   ? -6.028  3.104   4.677   1.00 55.12 ? 6   DT  B N1    1 
ATOM   411  C C2    . DT  B 2 5   ? -6.982  4.034   4.348   1.00 53.44 ? 6   DT  B C2    1 
ATOM   412  O O2    . DT  B 2 5   ? -6.728  5.216   4.184   1.00 54.33 ? 6   DT  B O2    1 
ATOM   413  N N3    . DT  B 2 5   ? -8.248  3.532   4.211   1.00 50.00 ? 6   DT  B N3    1 
ATOM   414  C C4    . DT  B 2 5   ? -8.641  2.216   4.358   1.00 47.99 ? 6   DT  B C4    1 
ATOM   415  O O4    . DT  B 2 5   ? -9.803  1.861   4.213   1.00 52.97 ? 6   DT  B O4    1 
ATOM   416  C C5    . DT  B 2 5   ? -7.592  1.289   4.713   1.00 49.51 ? 6   DT  B C5    1 
ATOM   417  C C7    . DT  B 2 5   ? -7.910  -0.164  4.909   1.00 44.25 ? 6   DT  B C7    1 
ATOM   418  C C6    . DT  B 2 5   ? -6.346  1.769   4.846   1.00 48.67 ? 6   DT  B C6    1 
ATOM   419  P P     . DT  B 2 6   ? -1.501  5.167   7.075   1.00 62.00 ? 7   DT  B P     1 
ATOM   420  O OP1   . DT  B 2 6   ? -0.396  6.070   6.719   1.00 65.26 ? 7   DT  B OP1   1 
ATOM   421  O OP2   . DT  B 2 6   ? -1.358  4.119   8.108   1.00 65.54 ? 7   DT  B OP2   1 
ATOM   422  O "O5'" . DT  B 2 6   ? -2.720  6.114   7.496   1.00 62.81 ? 7   DT  B "O5'" 1 
ATOM   423  C "C5'" . DT  B 2 6   ? -3.244  7.025   6.543   1.00 65.92 ? 7   DT  B "C5'" 1 
ATOM   424  C "C4'" . DT  B 2 6   ? -4.549  7.626   7.015   1.00 63.83 ? 7   DT  B "C4'" 1 
ATOM   425  O "O4'" . DT  B 2 6   ? -5.646  6.747   6.681   1.00 60.41 ? 7   DT  B "O4'" 1 
ATOM   426  C "C3'" . DT  B 2 6   ? -4.637  7.878   8.519   1.00 65.65 ? 7   DT  B "C3'" 1 
ATOM   427  O "O3'" . DT  B 2 6   ? -4.739  9.269   8.771   1.00 69.34 ? 7   DT  B "O3'" 1 
ATOM   428  C "C2'" . DT  B 2 6   ? -5.911  7.127   8.958   1.00 62.94 ? 7   DT  B "C2'" 1 
ATOM   429  C "C1'" . DT  B 2 6   ? -6.648  6.902   7.648   1.00 60.70 ? 7   DT  B "C1'" 1 
ATOM   430  N N1    . DT  B 2 6   ? -7.502  5.679   7.628   1.00 57.80 ? 7   DT  B N1    1 
ATOM   431  C C2    . DT  B 2 6   ? -8.825  5.778   7.217   1.00 56.38 ? 7   DT  B C2    1 
ATOM   432  O O2    . DT  B 2 6   ? -9.345  6.825   6.876   1.00 58.34 ? 7   DT  B O2    1 
ATOM   433  N N3    . DT  B 2 6   ? -9.516  4.598   7.216   1.00 53.50 ? 7   DT  B N3    1 
ATOM   434  C C4    . DT  B 2 6   ? -9.037  3.353   7.581   1.00 53.91 ? 7   DT  B C4    1 
ATOM   435  O O4    . DT  B 2 6   ? -9.741  2.344   7.552   1.00 49.34 ? 7   DT  B O4    1 
ATOM   436  C C5    . DT  B 2 6   ? -7.651  3.318   8.006   1.00 52.55 ? 7   DT  B C5    1 
ATOM   437  C C7    . DT  B 2 6   ? -7.025  2.019   8.415   1.00 50.98 ? 7   DT  B C7    1 
ATOM   438  C C6    . DT  B 2 6   ? -6.956  4.469   8.004   1.00 55.35 ? 7   DT  B C6    1 
ATOM   439  P P     . DC  B 2 7   ? -4.633  9.819   10.277  1.00 75.87 ? 8   DC  B P     1 
ATOM   440  O OP1   . DC  B 2 7   ? -3.810  11.052  10.261  1.00 76.71 ? 8   DC  B OP1   1 
ATOM   441  O OP2   . DC  B 2 7   ? -4.228  8.698   11.158  1.00 80.38 ? 8   DC  B OP2   1 
ATOM   442  O "O5'" . DC  B 2 7   ? -6.151  10.191  10.614  1.00 72.10 ? 8   DC  B "O5'" 1 
ATOM   443  C "C5'" . DC  B 2 7   ? -6.999  10.654  9.567   1.00 71.76 ? 8   DC  B "C5'" 1 
ATOM   444  C "C4'" . DC  B 2 7   ? -8.456  10.517  9.944   1.00 70.65 ? 8   DC  B "C4'" 1 
ATOM   445  O "O4'" . DC  B 2 7   ? -8.952  9.236   9.499   1.00 66.48 ? 8   DC  B "O4'" 1 
ATOM   446  C "C3'" . DC  B 2 7   ? -8.762  10.599  11.446  1.00 73.38 ? 8   DC  B "C3'" 1 
ATOM   447  O "O3'" . DC  B 2 7   ? -9.575  11.730  11.717  1.00 74.97 ? 8   DC  B "O3'" 1 
ATOM   448  C "C2'" . DC  B 2 7   ? -9.500  9.289   11.761  1.00 73.19 ? 8   DC  B "C2'" 1 
ATOM   449  C "C1'" . DC  B 2 7   ? -9.958  8.830   10.387  1.00 67.66 ? 8   DC  B "C1'" 1 
ATOM   450  N N1    . DC  B 2 7   ? -10.154 7.346   10.276  1.00 65.36 ? 8   DC  B N1    1 
ATOM   451  C C2    . DC  B 2 7   ? -11.397 6.845   9.877   1.00 64.15 ? 8   DC  B C2    1 
ATOM   452  O O2    . DC  B 2 7   ? -12.320 7.637   9.646   1.00 66.44 ? 8   DC  B O2    1 
ATOM   453  N N3    . DC  B 2 7   ? -11.565 5.504   9.782   1.00 58.42 ? 8   DC  B N3    1 
ATOM   454  C C4    . DC  B 2 7   ? -10.553 4.682   10.051  1.00 55.26 ? 8   DC  B C4    1 
ATOM   455  N N4    . DC  B 2 7   ? -10.775 3.367   9.942   1.00 52.44 ? 8   DC  B N4    1 
ATOM   456  C C5    . DC  B 2 7   ? -9.270  5.170   10.448  1.00 57.22 ? 8   DC  B C5    1 
ATOM   457  C C6    . DC  B 2 7   ? -9.117  6.497   10.545  1.00 62.33 ? 8   DC  B C6    1 
ATOM   458  P P     . DC  B 2 8   ? -9.905  12.148  13.235  1.00 78.47 ? 9   DC  B P     1 
ATOM   459  O OP1   . DC  B 2 8   ? -10.028 13.619  13.251  1.00 86.72 ? 9   DC  B OP1   1 
ATOM   460  O OP2   . DC  B 2 8   ? -8.994  11.464  14.180  1.00 78.06 ? 9   DC  B OP2   1 
ATOM   461  O "O5'" . DC  B 2 8   ? -11.343 11.513  13.482  1.00 80.32 ? 9   DC  B "O5'" 1 
ATOM   462  C "C5'" . DC  B 2 8   ? -12.402 11.799  12.593  1.00 75.73 ? 9   DC  B "C5'" 1 
ATOM   463  C "C4'" . DC  B 2 8   ? -13.461 10.716  12.663  1.00 74.22 ? 9   DC  B "C4'" 1 
ATOM   464  O "O4'" . DC  B 2 8   ? -12.853 9.441   12.411  1.00 67.83 ? 9   DC  B "O4'" 1 
ATOM   465  C "C3'" . DC  B 2 8   ? -14.141 10.560  14.019  1.00 72.58 ? 9   DC  B "C3'" 1 
ATOM   466  O "O3'" . DC  B 2 8   ? -15.409 11.134  13.996  1.00 81.47 ? 9   DC  B "O3'" 1 
ATOM   467  C "C2'" . DC  B 2 8   ? -14.247 9.036   14.222  1.00 70.26 ? 9   DC  B "C2'" 1 
ATOM   468  C "C1'" . DC  B 2 8   ? -13.712 8.462   12.911  1.00 65.49 ? 9   DC  B "C1'" 1 
ATOM   469  N N1    . DC  B 2 8   ? -12.958 7.202   13.096  1.00 65.57 ? 9   DC  B N1    1 
ATOM   470  C C2    . DC  B 2 8   ? -13.585 5.991   12.794  1.00 61.93 ? 9   DC  B C2    1 
ATOM   471  O O2    . DC  B 2 8   ? -14.724 6.012   12.313  1.00 62.98 ? 9   DC  B O2    1 
ATOM   472  N N3    . DC  B 2 8   ? -12.907 4.833   12.978  1.00 60.77 ? 9   DC  B N3    1 
ATOM   473  C C4    . DC  B 2 8   ? -11.675 4.856   13.495  1.00 59.27 ? 9   DC  B C4    1 
ATOM   474  N N4    . DC  B 2 8   ? -11.052 3.684   13.672  1.00 55.96 ? 9   DC  B N4    1 
ATOM   475  C C5    . DC  B 2 8   ? -11.030 6.083   13.849  1.00 61.18 ? 9   DC  B C5    1 
ATOM   476  C C6    . DC  B 2 8   ? -11.709 7.222   13.648  1.00 63.40 ? 9   DC  B C6    1 
ATOM   477  P P     . DC  B 2 9   ? -16.149 11.410  15.387  1.00 83.41 ? 10  DC  B P     1 
ATOM   478  O OP1   . DC  B 2 9   ? -17.057 12.560  15.178  1.00 98.17 ? 10  DC  B OP1   1 
ATOM   479  O OP2   . DC  B 2 9   ? -15.121 11.479  16.454  1.00 76.60 ? 10  DC  B OP2   1 
ATOM   480  O "O5'" . DC  B 2 9   ? -16.984 10.057  15.621  1.00 88.57 ? 10  DC  B "O5'" 1 
ATOM   481  C "C5'" . DC  B 2 9   ? -18.243 9.860   14.968  1.00 83.46 ? 10  DC  B "C5'" 1 
ATOM   482  C "C4'" . DC  B 2 9   ? -18.681 8.403   15.046  1.00 75.08 ? 10  DC  B "C4'" 1 
ATOM   483  O "O4'" . DC  B 2 9   ? -17.614 7.549   14.584  1.00 78.55 ? 10  DC  B "O4'" 1 
ATOM   484  C "C3'" . DC  B 2 9   ? -18.980 7.874   16.434  1.00 79.53 ? 10  DC  B "C3'" 1 
ATOM   485  O "O3'" . DC  B 2 9   ? -20.322 8.137   16.821  1.00 80.38 ? 10  DC  B "O3'" 1 
ATOM   486  C "C2'" . DC  B 2 9   ? -18.779 6.364   16.259  1.00 74.00 ? 10  DC  B "C2'" 1 
ATOM   487  C "C1'" . DC  B 2 9   ? -17.913 6.241   15.012  1.00 72.18 ? 10  DC  B "C1'" 1 
ATOM   488  N N1    . DC  B 2 9   ? -16.669 5.481   15.265  1.00 66.38 ? 10  DC  B N1    1 
ATOM   489  C C2    . DC  B 2 9   ? -16.708 4.088   15.176  1.00 67.15 ? 10  DC  B C2    1 
ATOM   490  O O2    . DC  B 2 9   ? -17.781 3.536   14.895  1.00 68.64 ? 10  DC  B O2    1 
ATOM   491  N N3    . DC  B 2 9   ? -15.578 3.380   15.419  1.00 68.16 ? 10  DC  B N3    1 
ATOM   492  C C4    . DC  B 2 9   ? -14.448 4.014   15.734  1.00 67.37 ? 10  DC  B C4    1 
ATOM   493  N N4    . DC  B 2 9   ? -13.358 3.269   15.965  1.00 56.80 ? 10  DC  B N4    1 
ATOM   494  C C5    . DC  B 2 9   ? -14.388 5.441   15.831  1.00 63.74 ? 10  DC  B C5    1 
ATOM   495  C C6    . DC  B 2 9   ? -15.516 6.128   15.590  1.00 63.45 ? 10  DC  B C6    1 
ATOM   496  P P     . DT  B 2 10  ? -20.777 7.733   18.309  1.00 83.95 ? 11  DT  B P     1 
ATOM   497  O OP1   . DT  B 2 10  ? -22.081 8.373   18.570  1.00 87.37 ? 11  DT  B OP1   1 
ATOM   498  O OP2   . DT  B 2 10  ? -19.642 7.981   19.223  1.00 86.28 ? 11  DT  B OP2   1 
ATOM   499  O "O5'" . DT  B 2 10  ? -20.969 6.149   18.257  1.00 71.34 ? 11  DT  B "O5'" 1 
ATOM   500  C "C5'" . DT  B 2 10  ? -21.954 5.572   17.423  1.00 81.36 ? 11  DT  B "C5'" 1 
ATOM   501  C "C4'" . DT  B 2 10  ? -21.901 4.065   17.540  1.00 72.07 ? 11  DT  B "C4'" 1 
ATOM   502  O "O4'" . DT  B 2 10  ? -20.608 3.613   17.126  1.00 70.88 ? 11  DT  B "O4'" 1 
ATOM   503  C "C3'" . DT  B 2 10  ? -22.095 3.535   18.954  1.00 70.43 ? 11  DT  B "C3'" 1 
ATOM   504  O "O3'" . DT  B 2 10  ? -23.428 3.154   19.142  1.00 64.25 ? 11  DT  B "O3'" 1 
ATOM   505  C "C2'" . DT  B 2 10  ? -21.182 2.303   19.020  1.00 63.30 ? 11  DT  B "C2'" 1 
ATOM   506  C "C1'" . DT  B 2 10  ? -20.299 2.402   17.770  1.00 73.97 ? 11  DT  B "C1'" 1 
ATOM   507  N N1    . DT  B 2 10  ? -18.848 2.370   18.079  1.00 68.62 ? 11  DT  B N1    1 
ATOM   508  C C2    . DT  B 2 10  ? -18.208 1.156   18.122  1.00 65.89 ? 11  DT  B C2    1 
ATOM   509  O O2    . DT  B 2 10  ? -18.761 0.098   17.862  1.00 60.14 ? 11  DT  B O2    1 
ATOM   510  N N3    . DT  B 2 10  ? -16.875 1.225   18.430  1.00 65.85 ? 11  DT  B N3    1 
ATOM   511  C C4    . DT  B 2 10  ? -16.144 2.359   18.731  1.00 58.32 ? 11  DT  B C4    1 
ATOM   512  O O4    . DT  B 2 10  ? -14.950 2.311   19.008  1.00 59.70 ? 11  DT  B O4    1 
ATOM   513  C C5    . DT  B 2 10  ? -16.887 3.598   18.699  1.00 65.64 ? 11  DT  B C5    1 
ATOM   514  C C7    . DT  B 2 10  ? -16.203 4.897   19.008  1.00 66.83 ? 11  DT  B C7    1 
ATOM   515  C C6    . DT  B 2 10  ? -18.189 3.544   18.385  1.00 59.59 ? 11  DT  B C6    1 
ATOM   516  P P     . DT  B 2 11  ? -23.994 2.960   20.630  1.00 84.07 ? 12  DT  B P     1 
ATOM   517  O OP1   . DT  B 2 11  ? -25.473 3.042   20.542  1.00 84.74 ? 12  DT  B OP1   1 
ATOM   518  O OP2   . DT  B 2 11  ? -23.237 3.834   21.555  1.00 89.31 ? 12  DT  B OP2   1 
ATOM   519  O "O5'" . DT  B 2 11  ? -23.584 1.462   20.970  1.00 72.20 ? 12  DT  B "O5'" 1 
ATOM   520  C "C5'" . DT  B 2 11  ? -23.946 0.423   20.087  1.00 71.04 ? 12  DT  B "C5'" 1 
ATOM   521  C "C4'" . DT  B 2 11  ? -23.272 -0.858  20.503  1.00 58.36 ? 12  DT  B "C4'" 1 
ATOM   522  O "O4'" . DT  B 2 11  ? -21.841 -0.723  20.362  1.00 62.82 ? 12  DT  B "O4'" 1 
ATOM   523  C "C3'" . DT  B 2 11  ? -23.531 -1.286  21.945  1.00 64.55 ? 12  DT  B "C3'" 1 
ATOM   524  O "O3'" . DT  B 2 11  ? -23.994 -2.621  21.936  1.00 58.65 ? 12  DT  B "O3'" 1 
ATOM   525  C "C2'" . DT  B 2 11  ? -22.160 -1.147  22.633  1.00 66.37 ? 12  DT  B "C2'" 1 
ATOM   526  C "C1'" . DT  B 2 11  ? -21.203 -1.318  21.463  1.00 59.43 ? 12  DT  B "C1'" 1 
ATOM   527  N N1    . DT  B 2 11  ? -19.876 -0.668  21.635  1.00 54.94 ? 12  DT  B N1    1 
ATOM   528  C C2    . DT  B 2 11  ? -18.755 -1.454  21.756  1.00 58.78 ? 12  DT  B C2    1 
ATOM   529  O O2    . DT  B 2 11  ? -18.792 -2.671  21.750  1.00 62.94 ? 12  DT  B O2    1 
ATOM   530  N N3    . DT  B 2 11  ? -17.578 -0.762  21.888  1.00 54.67 ? 12  DT  B N3    1 
ATOM   531  C C4    . DT  B 2 11  ? -17.417 0.612   21.906  1.00 61.38 ? 12  DT  B C4    1 
ATOM   532  O O4    . DT  B 2 11  ? -16.315 1.144   22.019  1.00 57.75 ? 12  DT  B O4    1 
ATOM   533  C C5    . DT  B 2 11  ? -18.639 1.379   21.776  1.00 64.79 ? 12  DT  B C5    1 
ATOM   534  C C7    . DT  B 2 11  ? -18.596 2.878   21.787  1.00 61.41 ? 12  DT  B C7    1 
ATOM   535  C C6    . DT  B 2 11  ? -19.793 0.707   21.648  1.00 57.03 ? 12  DT  B C6    1 
ATOM   536  P P     . DT  B 2 12  ? -24.537 -3.318  23.269  1.00 68.99 ? 13  DT  B P     1 
ATOM   537  O OP1   . DT  B 2 12  ? -25.641 -4.214  22.856  1.00 68.66 ? 13  DT  B OP1   1 
ATOM   538  O OP2   . DT  B 2 12  ? -24.760 -2.264  24.284  1.00 73.04 ? 13  DT  B OP2   1 
ATOM   539  O "O5'" . DT  B 2 12  ? -23.316 -4.253  23.717  1.00 81.09 ? 13  DT  B "O5'" 1 
ATOM   540  C "C5'" . DT  B 2 12  ? -22.264 -4.528  22.793  1.00 63.85 ? 13  DT  B "C5'" 1 
ATOM   541  C "C4'" . DT  B 2 12  ? -21.353 -5.622  23.308  1.00 65.46 ? 13  DT  B "C4'" 1 
ATOM   542  O "O4'" . DT  B 2 12  ? -19.988 -5.133  23.357  1.00 65.24 ? 13  DT  B "O4'" 1 
ATOM   543  C "C3'" . DT  B 2 12  ? -21.668 -6.117  24.708  1.00 71.70 ? 13  DT  B "C3'" 1 
ATOM   544  O "O3'" . DT  B 2 12  ? -21.301 -7.485  24.819  1.00 73.93 ? 13  DT  B "O3'" 1 
ATOM   545  C "C2'" . DT  B 2 12  ? -20.785 -5.223  25.580  1.00 72.59 ? 13  DT  B "C2'" 1 
ATOM   546  C "C1'" . DT  B 2 12  ? -19.556 -5.018  24.694  1.00 68.11 ? 13  DT  B "C1'" 1 
ATOM   547  N N1    . DT  B 2 12  ? -18.889 -3.684  24.882  1.00 70.74 ? 13  DT  B N1    1 
ATOM   548  C C2    . DT  B 2 12  ? -17.507 -3.609  24.888  1.00 65.62 ? 13  DT  B C2    1 
ATOM   549  O O2    . DT  B 2 12  ? -16.783 -4.574  24.726  1.00 65.81 ? 13  DT  B O2    1 
ATOM   550  N N3    . DT  B 2 12  ? -17.002 -2.348  25.069  1.00 58.56 ? 13  DT  B N3    1 
ATOM   551  C C4    . DT  B 2 12  ? -17.719 -1.181  25.267  1.00 61.56 ? 13  DT  B C4    1 
ATOM   552  O O4    . DT  B 2 12  ? -17.173 -0.092  25.432  1.00 59.42 ? 13  DT  B O4    1 
ATOM   553  C C5    . DT  B 2 12  ? -19.157 -1.330  25.258  1.00 62.41 ? 13  DT  B C5    1 
ATOM   554  C C7    . DT  B 2 12  ? -20.036 -0.133  25.456  1.00 61.92 ? 13  DT  B C7    1 
ATOM   555  C C6    . DT  B 2 12  ? -19.666 -2.560  25.074  1.00 61.98 ? 13  DT  B C6    1 
ATOM   556  P P     . DT  B 2 13  ? -21.459 -8.274  26.213  1.00 82.00 ? 14  DT  B P     1 
ATOM   557  O OP1   . DT  B 2 13  ? -21.891 -9.653  25.890  1.00 85.66 ? 14  DT  B OP1   1 
ATOM   558  O OP2   . DT  B 2 13  ? -22.270 -7.464  27.147  1.00 65.35 ? 14  DT  B OP2   1 
ATOM   559  O "O5'" . DT  B 2 13  ? -19.958 -8.324  26.767  1.00 79.44 ? 14  DT  B "O5'" 1 
ATOM   560  C "C5'" . DT  B 2 13  ? -18.931 -8.872  25.937  1.00 74.69 ? 14  DT  B "C5'" 1 
ATOM   561  C "C4'" . DT  B 2 13  ? -17.548 -8.643  26.528  1.00 73.30 ? 14  DT  B "C4'" 1 
ATOM   562  O "O4'" . DT  B 2 13  ? -17.227 -7.232  26.542  1.00 69.45 ? 14  DT  B "O4'" 1 
ATOM   563  C "C3'" . DT  B 2 13  ? -17.358 -9.135  27.963  1.00 80.52 ? 14  DT  B "C3'" 1 
ATOM   564  O "O3'" . DT  B 2 13  ? -16.325 -10.087 27.989  1.00 86.95 ? 14  DT  B "O3'" 1 
ATOM   565  C "C2'" . DT  B 2 13  ? -16.963 -7.877  28.752  1.00 76.51 ? 14  DT  B "C2'" 1 
ATOM   566  C "C1'" . DT  B 2 13  ? -16.412 -6.982  27.658  1.00 71.94 ? 14  DT  B "C1'" 1 
ATOM   567  N N1    . DT  B 2 13  ? -16.478 -5.543  27.974  1.00 72.73 ? 14  DT  B N1    1 
ATOM   568  C C2    . DT  B 2 13  ? -15.315 -4.806  27.995  1.00 67.85 ? 14  DT  B C2    1 
ATOM   569  O O2    . DT  B 2 13  ? -14.213 -5.281  27.761  1.00 69.89 ? 14  DT  B O2    1 
ATOM   570  N N3    . DT  B 2 13  ? -15.487 -3.484  28.292  1.00 60.28 ? 14  DT  B N3    1 
ATOM   571  C C4    . DT  B 2 13  ? -16.679 -2.839  28.563  1.00 60.57 ? 14  DT  B C4    1 
ATOM   572  O O4    . DT  B 2 13  ? -16.733 -1.642  28.815  1.00 61.58 ? 14  DT  B O4    1 
ATOM   573  C C5    . DT  B 2 13  ? -17.857 -3.675  28.533  1.00 63.24 ? 14  DT  B C5    1 
ATOM   574  C C7    . DT  B 2 13  ? -19.205 -3.091  28.823  1.00 61.18 ? 14  DT  B C7    1 
ATOM   575  C C6    . DT  B 2 13  ? -17.700 -4.970  28.242  1.00 67.08 ? 14  DT  B C6    1 
ATOM   576  P P     . DC  B 2 14  ? -16.237 -11.139 29.195  1.00 84.24 ? 15  DC  B P     1 
ATOM   577  O OP1   . DC  B 2 14  ? -16.100 -12.494 28.610  1.00 84.37 ? 15  DC  B OP1   1 
ATOM   578  O OP2   . DC  B 2 14  ? -17.362 -10.831 30.121  1.00 74.29 ? 15  DC  B OP2   1 
ATOM   579  O "O5'" . DC  B 2 14  ? -14.855 -10.757 29.896  1.00 84.68 ? 15  DC  B "O5'" 1 
ATOM   580  C "C5'" . DC  B 2 14  ? -13.961 -9.853  29.253  1.00 73.62 ? 15  DC  B "C5'" 1 
ATOM   581  C "C4'" . DC  B 2 14  ? -13.078 -9.169  30.277  1.00 77.60 ? 15  DC  B "C4'" 1 
ATOM   582  O "O4'" . DC  B 2 14  ? -13.460 -7.768  30.383  1.00 69.65 ? 15  DC  B "O4'" 1 
ATOM   583  C "C3'" . DC  B 2 14  ? -13.192 -9.737  31.698  1.00 82.48 ? 15  DC  B "C3'" 1 
ATOM   584  O "O3'" . DC  B 2 14  ? -11.927 -9.672  32.360  1.00 82.83 ? 15  DC  B "O3'" 1 
ATOM   585  C "C2'" . DC  B 2 14  ? -14.177 -8.772  32.350  1.00 79.30 ? 15  DC  B "C2'" 1 
ATOM   586  C "C1'" . DC  B 2 14  ? -13.702 -7.468  31.740  1.00 79.07 ? 15  DC  B "C1'" 1 
ATOM   587  N N1    . DC  B 2 14  ? -14.675 -6.360  31.825  1.00 72.69 ? 15  DC  B N1    1 
ATOM   588  C C2    . DC  B 2 14  ? -14.227 -5.047  31.661  1.00 68.07 ? 15  DC  B C2    1 
ATOM   589  O O2    . DC  B 2 14  ? -13.025 -4.841  31.442  1.00 73.82 ? 15  DC  B O2    1 
ATOM   590  N N3    . DC  B 2 14  ? -15.121 -4.036  31.746  1.00 66.10 ? 15  DC  B N3    1 
ATOM   591  C C4    . DC  B 2 14  ? -16.403 -4.299  31.981  1.00 65.56 ? 15  DC  B C4    1 
ATOM   592  N N4    . DC  B 2 14  ? -17.247 -3.264  32.051  1.00 67.71 ? 15  DC  B N4    1 
ATOM   593  C C5    . DC  B 2 14  ? -16.879 -5.633  32.156  1.00 71.80 ? 15  DC  B C5    1 
ATOM   594  C C6    . DC  B 2 14  ? -15.986 -6.624  32.075  1.00 70.11 ? 15  DC  B C6    1 
ATOM   595  P P     . DA  B 2 15  ? -10.786 -10.769 32.066  1.00 86.60 ? 16  DA  B P     1 
ATOM   596  O OP1   . DA  B 2 15  ? -11.071 -11.439 30.773  1.00 73.24 ? 16  DA  B OP1   1 
ATOM   597  O OP2   . DA  B 2 15  ? -10.610 -11.577 33.292  1.00 77.20 ? 16  DA  B OP2   1 
ATOM   598  O "O5'" . DA  B 2 15  ? -9.480  -9.885  31.809  1.00 81.00 ? 16  DA  B "O5'" 1 
ATOM   599  C "C5'" . DA  B 2 15  ? -9.615  -8.534  31.374  1.00 81.31 ? 16  DA  B "C5'" 1 
ATOM   600  C "C4'" . DA  B 2 15  ? -8.473  -7.688  31.889  1.00 75.13 ? 16  DA  B "C4'" 1 
ATOM   601  O "O4'" . DA  B 2 15  ? -9.003  -6.506  32.530  1.00 81.78 ? 16  DA  B "O4'" 1 
ATOM   602  C "C3'" . DA  B 2 15  ? -7.629  -8.353  32.964  1.00 85.65 ? 16  DA  B "C3'" 1 
ATOM   603  O "O3'" . DA  B 2 15  ? -6.370  -7.723  33.045  1.00 80.93 ? 16  DA  B "O3'" 1 
ATOM   604  C "C2'" . DA  B 2 15  ? -8.454  -8.101  34.225  1.00 79.88 ? 16  DA  B "C2'" 1 
ATOM   605  C "C1'" . DA  B 2 15  ? -9.096  -6.738  33.931  1.00 77.76 ? 16  DA  B "C1'" 1 
ATOM   606  N N9    . DA  B 2 15  ? -10.501 -6.641  34.320  1.00 76.40 ? 16  DA  B N9    1 
ATOM   607  C C8    . DA  B 2 15  ? -11.341 -7.670  34.642  1.00 76.24 ? 16  DA  B C8    1 
ATOM   608  N N7    . DA  B 2 15  ? -12.548 -7.279  34.979  1.00 75.20 ? 16  DA  B N7    1 
ATOM   609  C C5    . DA  B 2 15  ? -12.485 -5.898  34.901  1.00 74.71 ? 16  DA  B C5    1 
ATOM   610  C C6    . DA  B 2 15  ? -13.437 -4.888  35.138  1.00 73.88 ? 16  DA  B C6    1 
ATOM   611  N N6    . DA  B 2 15  ? -14.693 -5.137  35.515  1.00 73.27 ? 16  DA  B N6    1 
ATOM   612  N N1    . DA  B 2 15  ? -13.048 -3.607  34.970  1.00 73.99 ? 16  DA  B N1    1 
ATOM   613  C C2    . DA  B 2 15  ? -11.792 -3.361  34.590  1.00 74.86 ? 16  DA  B C2    1 
ATOM   614  N N3    . DA  B 2 15  ? -10.810 -4.223  34.334  1.00 75.64 ? 16  DA  B N3    1 
ATOM   615  C C4    . DA  B 2 15  ? -11.228 -5.487  34.506  1.00 75.49 ? 16  DA  B C4    1 
ATOM   616  N N     . GLY C 3 8   ? 6.625   1.086   -15.164 1.00 60.92 ? 169 GLY C N     1 
ATOM   617  C CA    . GLY C 3 8   ? 7.309   0.312   -14.140 1.00 61.99 ? 169 GLY C CA    1 
ATOM   618  C C     . GLY C 3 8   ? 6.726   0.447   -12.741 1.00 57.10 ? 169 GLY C C     1 
ATOM   619  O O     . GLY C 3 8   ? 7.173   1.281   -11.956 1.00 47.88 ? 169 GLY C O     1 
ATOM   620  N N     . ALA C 3 9   ? 5.722   -0.371  -12.428 1.00 49.86 ? 170 ALA C N     1 
ATOM   621  C CA    . ALA C 3 9   ? 5.041   -0.310  -11.147 1.00 44.52 ? 170 ALA C CA    1 
ATOM   622  C C     . ALA C 3 9   ? 5.656   -1.320  -10.185 1.00 59.54 ? 170 ALA C C     1 
ATOM   623  O O     . ALA C 3 9   ? 5.759   -2.509  -10.514 1.00 53.87 ? 170 ALA C O     1 
ATOM   624  C CB    . ALA C 3 9   ? 3.548   -0.582  -11.325 1.00 57.57 ? 170 ALA C CB    1 
ATOM   625  N N     . ARG C 3 10  ? 6.056   -0.840  -8.999  1.00 55.08 ? 171 ARG C N     1 
ATOM   626  C CA    . ARG C 3 10  ? 6.693   -1.684  -7.991  1.00 50.81 ? 171 ARG C CA    1 
ATOM   627  C C     . ARG C 3 10  ? 5.668   -2.510  -7.231  1.00 40.43 ? 171 ARG C C     1 
ATOM   628  O O     . ARG C 3 10  ? 4.597   -2.016  -6.859  1.00 42.94 ? 171 ARG C O     1 
ATOM   629  C CB    . ARG C 3 10  ? 7.492   -0.838  -6.998  1.00 52.99 ? 171 ARG C CB    1 
ATOM   630  C CG    . ARG C 3 10  ? 8.924   -0.534  -7.425  1.00 49.43 ? 171 ARG C CG    1 
ATOM   631  C CD    . ARG C 3 10  ? 9.591   0.468   -6.470  1.00 57.24 ? 171 ARG C CD    1 
ATOM   632  N NE    . ARG C 3 10  ? 11.019  0.614   -6.736  1.00 62.56 ? 171 ARG C NE    1 
ATOM   633  C CZ    . ARG C 3 10  ? 11.993  0.115   -5.984  1.00 58.65 ? 171 ARG C CZ    1 
ATOM   634  N NH1   . ARG C 3 10  ? 11.737  -0.566  -4.879  1.00 70.87 ? 171 ARG C NH1   1 
ATOM   635  N NH2   . ARG C 3 10  ? 13.257  0.299   -6.356  1.00 60.92 ? 171 ARG C NH2   1 
ATOM   636  N N     . LYS C 3 11  ? 6.026   -3.756  -6.945  1.00 37.39 ? 172 LYS C N     1 
ATOM   637  C CA    . LYS C 3 11  ? 5.163   -4.634  -6.162  1.00 42.95 ? 172 LYS C CA    1 
ATOM   638  C C     . LYS C 3 11  ? 5.403   -4.435  -4.669  1.00 52.13 ? 172 LYS C C     1 
ATOM   639  O O     . LYS C 3 11  ? 6.529   -4.176  -4.235  1.00 42.47 ? 172 LYS C O     1 
ATOM   640  C CB    . LYS C 3 11  ? 5.402   -6.101  -6.526  1.00 40.52 ? 172 LYS C CB    1 
ATOM   641  C CG    . LYS C 3 11  ? 4.418   -7.066  -5.882  1.00 47.59 ? 172 LYS C CG    1 
ATOM   642  C CD    . LYS C 3 11  ? 4.802   -8.513  -6.148  1.00 49.28 ? 172 LYS C CD    1 
ATOM   643  C CE    . LYS C 3 11  ? 5.808   -9.037  -5.150  1.00 50.14 ? 172 LYS C CE    1 
ATOM   644  N NZ    . LYS C 3 11  ? 5.233   -9.095  -3.771  1.00 36.69 ? 172 LYS C NZ    1 
ATOM   645  N N     . LYS C 3 12  ? 4.329   -4.544  -3.892  1.00 41.51 ? 173 LYS C N     1 
ATOM   646  C CA    . LYS C 3 12  ? 4.389   -4.481  -2.445  1.00 40.70 ? 173 LYS C CA    1 
ATOM   647  C C     . LYS C 3 12  ? 3.613   -5.665  -1.893  1.00 51.41 ? 173 LYS C C     1 
ATOM   648  O O     . LYS C 3 12  ? 2.743   -6.234  -2.566  1.00 42.07 ? 173 LYS C O     1 
ATOM   649  C CB    . LYS C 3 12  ? 3.816   -3.162  -1.902  1.00 39.70 ? 173 LYS C CB    1 
ATOM   650  C CG    . LYS C 3 12  ? 4.730   -1.965  -2.130  1.00 42.63 ? 173 LYS C CG    1 
ATOM   651  C CD    . LYS C 3 12  ? 4.505   -0.899  -1.082  1.00 47.49 ? 173 LYS C CD    1 
ATOM   652  C CE    . LYS C 3 12  ? 5.239   0.380   -1.418  1.00 45.86 ? 173 LYS C CE    1 
ATOM   653  N NZ    . LYS C 3 12  ? 4.448   1.573   -1.025  1.00 50.30 ? 173 LYS C NZ    1 
ATOM   654  N N     . LEU C 3 13  ? 3.953   -6.042  -0.662  1.00 39.11 ? 174 LEU C N     1 
ATOM   655  C CA    . LEU C 3 13  ? 3.301   -7.182  -0.035  1.00 38.02 ? 174 LEU C CA    1 
ATOM   656  C C     . LEU C 3 13  ? 1.866   -6.860  0.363   1.00 39.60 ? 174 LEU C C     1 
ATOM   657  O O     . LEU C 3 13  ? 1.519   -5.723  0.703   1.00 38.19 ? 174 LEU C O     1 
ATOM   658  C CB    . LEU C 3 13  ? 4.057   -7.633  1.207   1.00 45.82 ? 174 LEU C CB    1 
ATOM   659  C CG    . LEU C 3 13  ? 5.488   -8.144  1.056   1.00 45.32 ? 174 LEU C CG    1 
ATOM   660  C CD1   . LEU C 3 13  ? 5.963   -8.650  2.414   1.00 45.12 ? 174 LEU C CD1   1 
ATOM   661  C CD2   . LEU C 3 13  ? 5.599   -9.230  -0.010  1.00 39.94 ? 174 LEU C CD2   1 
ATOM   662  N N     . ARG C 3 14  ? 1.032   -7.885  0.310   1.00 30.50 ? 175 ARG C N     1 
ATOM   663  C CA    . ARG C 3 14  ? -0.311  -7.796  0.835   1.00 38.09 ? 175 ARG C CA    1 
ATOM   664  C C     . ARG C 3 14  ? -0.260  -8.184  2.305   1.00 42.23 ? 175 ARG C C     1 
ATOM   665  O O     . ARG C 3 14  ? 0.689   -8.824  2.765   1.00 32.06 ? 175 ARG C O     1 
ATOM   666  C CB    . ARG C 3 14  ? -1.251  -8.699  0.039   1.00 40.58 ? 175 ARG C CB    1 
ATOM   667  C CG    . ARG C 3 14  ? -1.362  -8.254  -1.421  1.00 47.20 ? 175 ARG C CG    1 
ATOM   668  C CD    . ARG C 3 14  ? -2.434  -8.977  -2.206  1.00 45.13 ? 175 ARG C CD    1 
ATOM   669  N NE    . ARG C 3 14  ? -3.797  -8.612  -1.835  1.00 40.80 ? 175 ARG C NE    1 
ATOM   670  C CZ    . ARG C 3 14  ? -4.838  -9.402  -2.050  1.00 43.17 ? 175 ARG C CZ    1 
ATOM   671  N NH1   . ARG C 3 14  ? -4.697  -10.583 -2.634  1.00 52.29 ? 175 ARG C NH1   1 
ATOM   672  N NH2   . ARG C 3 14  ? -6.051  -9.004  -1.664  1.00 50.67 ? 175 ARG C NH2   1 
ATOM   673  N N     . LEU C 3 15  ? -1.276  -7.766  3.059   1.00 42.80 ? 176 LEU C N     1 
ATOM   674  C CA    . LEU C 3 15  ? -1.230  -8.010  4.495   1.00 38.00 ? 176 LEU C CA    1 
ATOM   675  C C     . LEU C 3 15  ? -1.162  -9.503  4.792   1.00 39.39 ? 176 LEU C C     1 
ATOM   676  O O     . LEU C 3 15  ? -0.299  -9.952  5.555   1.00 41.72 ? 176 LEU C O     1 
ATOM   677  C CB    . LEU C 3 15  ? -2.427  -7.357  5.187   1.00 37.54 ? 176 LEU C CB    1 
ATOM   678  C CG    . LEU C 3 15  ? -2.478  -7.437  6.714   1.00 40.06 ? 176 LEU C CG    1 
ATOM   679  C CD1   . LEU C 3 15  ? -1.123  -7.109  7.324   1.00 34.04 ? 176 LEU C CD1   1 
ATOM   680  C CD2   . LEU C 3 15  ? -3.564  -6.515  7.272   1.00 30.50 ? 176 LEU C CD2   1 
ATOM   681  N N     . TYR C 3 16  ? -1.999  -10.303 4.126   1.00 35.49 ? 177 TYR C N     1 
ATOM   682  C CA    . TYR C 3 16  ? -2.017  -11.734 4.423   1.00 35.84 ? 177 TYR C CA    1 
ATOM   683  C C     . TYR C 3 16  ? -0.674  -12.393 4.129   1.00 37.03 ? 177 TYR C C     1 
ATOM   684  O O     . TYR C 3 16  ? -0.312  -13.374 4.792   1.00 32.32 ? 177 TYR C O     1 
ATOM   685  C CB    . TYR C 3 16  ? -3.158  -12.417 3.661   1.00 39.03 ? 177 TYR C CB    1 
ATOM   686  C CG    . TYR C 3 16  ? -2.918  -12.671 2.183   1.00 33.00 ? 177 TYR C CG    1 
ATOM   687  C CD1   . TYR C 3 16  ? -2.279  -13.830 1.753   1.00 31.02 ? 177 TYR C CD1   1 
ATOM   688  C CD2   . TYR C 3 16  ? -3.353  -11.765 1.222   1.00 34.05 ? 177 TYR C CD2   1 
ATOM   689  C CE1   . TYR C 3 16  ? -2.052  -14.076 0.404   1.00 41.39 ? 177 TYR C CE1   1 
ATOM   690  C CE2   . TYR C 3 16  ? -3.137  -12.001 -0.129  1.00 37.67 ? 177 TYR C CE2   1 
ATOM   691  C CZ    . TYR C 3 16  ? -2.486  -13.161 -0.533  1.00 37.57 ? 177 TYR C CZ    1 
ATOM   692  O OH    . TYR C 3 16  ? -2.268  -13.406 -1.877  1.00 51.07 ? 177 TYR C OH    1 
ATOM   693  N N     . GLN C 3 17  ? 0.062   -11.891 3.127   1.00 32.15 ? 178 GLN C N     1 
ATOM   694  C CA    . GLN C 3 17  ? 1.386   -12.426 2.807   1.00 34.87 ? 178 GLN C CA    1 
ATOM   695  C C     . GLN C 3 17  ? 2.395   -12.055 3.879   1.00 38.65 ? 178 GLN C C     1 
ATOM   696  O O     . GLN C 3 17  ? 3.191   -12.894 4.323   1.00 37.26 ? 178 GLN C O     1 
ATOM   697  C CB    . GLN C 3 17  ? 1.858   -11.903 1.447   1.00 38.25 ? 178 GLN C CB    1 
ATOM   698  C CG    . GLN C 3 17  ? 1.086   -12.421 0.249   1.00 31.60 ? 178 GLN C CG    1 
ATOM   699  C CD    . GLN C 3 17  ? 1.456   -11.693 -1.005  1.00 37.52 ? 178 GLN C CD    1 
ATOM   700  O OE1   . GLN C 3 17  ? 1.746   -10.501 -0.967  1.00 36.24 ? 178 GLN C OE1   1 
ATOM   701  N NE2   . GLN C 3 17  ? 1.438   -12.392 -2.134  1.00 37.08 ? 178 GLN C NE2   1 
ATOM   702  N N     . PHE C 3 18  ? 2.397   -10.784 4.275   1.00 36.87 ? 179 PHE C N     1 
ATOM   703  C CA    . PHE C 3 18  ? 3.256   -10.330 5.357   1.00 34.87 ? 179 PHE C CA    1 
ATOM   704  C C     . PHE C 3 18  ? 3.098   -11.204 6.590   1.00 33.81 ? 179 PHE C C     1 
ATOM   705  O O     . PHE C 3 18  ? 4.077   -11.740 7.114   1.00 34.63 ? 179 PHE C O     1 
ATOM   706  C CB    . PHE C 3 18  ? 2.931   -8.877  5.676   1.00 33.18 ? 179 PHE C CB    1 
ATOM   707  C CG    . PHE C 3 18  ? 3.658   -8.349  6.868   1.00 38.95 ? 179 PHE C CG    1 
ATOM   708  C CD1   . PHE C 3 18  ? 5.022   -8.151  6.824   1.00 45.45 ? 179 PHE C CD1   1 
ATOM   709  C CD2   . PHE C 3 18  ? 2.970   -8.004  8.019   1.00 44.86 ? 179 PHE C CD2   1 
ATOM   710  C CE1   . PHE C 3 18  ? 5.701   -7.652  7.915   1.00 40.42 ? 179 PHE C CE1   1 
ATOM   711  C CE2   . PHE C 3 18  ? 3.645   -7.494  9.119   1.00 40.53 ? 179 PHE C CE2   1 
ATOM   712  C CZ    . PHE C 3 18  ? 5.004   -7.316  9.066   1.00 44.94 ? 179 PHE C CZ    1 
ATOM   713  N N     . LEU C 3 19  ? 1.857   -11.394 7.033   1.00 41.92 ? 180 LEU C N     1 
ATOM   714  C CA    . LEU C 3 19  ? 1.591   -12.197 8.220   1.00 41.75 ? 180 LEU C CA    1 
ATOM   715  C C     . LEU C 3 19  ? 1.981   -13.652 8.006   1.00 40.55 ? 180 LEU C C     1 
ATOM   716  O O     . LEU C 3 19  ? 2.592   -14.273 8.882   1.00 40.26 ? 180 LEU C O     1 
ATOM   717  C CB    . LEU C 3 19  ? 0.112   -12.093 8.580   1.00 34.68 ? 180 LEU C CB    1 
ATOM   718  C CG    . LEU C 3 19  ? -0.332  -10.670 8.902   1.00 34.57 ? 180 LEU C CG    1 
ATOM   719  C CD1   . LEU C 3 19  ? -1.841  -10.572 8.818   1.00 37.67 ? 180 LEU C CD1   1 
ATOM   720  C CD2   . LEU C 3 19  ? 0.196   -10.213 10.272  1.00 32.24 ? 180 LEU C CD2   1 
ATOM   721  N N     . LEU C 3 20  ? 1.613   -14.222 6.858   1.00 37.14 ? 181 LEU C N     1 
ATOM   722  C CA    . LEU C 3 20  ? 1.916   -15.627 6.615   1.00 38.09 ? 181 LEU C CA    1 
ATOM   723  C C     . LEU C 3 20  ? 3.415   -15.855 6.590   1.00 40.99 ? 181 LEU C C     1 
ATOM   724  O O     . LEU C 3 20  ? 3.905   -16.886 7.071   1.00 41.07 ? 181 LEU C O     1 
ATOM   725  C CB    . LEU C 3 20  ? 1.276   -16.080 5.309   1.00 34.19 ? 181 LEU C CB    1 
ATOM   726  C CG    . LEU C 3 20  ? 1.406   -17.556 4.936   1.00 39.92 ? 181 LEU C CG    1 
ATOM   727  C CD1   . LEU C 3 20  ? 0.882   -18.459 6.017   1.00 33.57 ? 181 LEU C CD1   1 
ATOM   728  C CD2   . LEU C 3 20  ? 0.689   -17.834 3.606   1.00 34.47 ? 181 LEU C CD2   1 
ATOM   729  N N     . GLY C 3 21  ? 4.165   -14.891 6.056   1.00 37.75 ? 182 GLY C N     1 
ATOM   730  C CA    . GLY C 3 21  ? 5.611   -15.021 6.051   1.00 36.84 ? 182 GLY C CA    1 
ATOM   731  C C     . GLY C 3 21  ? 6.202   -14.964 7.446   1.00 45.29 ? 182 GLY C C     1 
ATOM   732  O O     . GLY C 3 21  ? 7.104   -15.738 7.776   1.00 41.84 ? 182 GLY C O     1 
ATOM   733  N N     . LEU C 3 22  ? 5.719   -14.031 8.276   1.00 46.21 ? 183 LEU C N     1 
ATOM   734  C CA    . LEU C 3 22  ? 6.121   -13.981 9.680   1.00 40.86 ? 183 LEU C CA    1 
ATOM   735  C C     . LEU C 3 22  ? 5.922   -15.325 10.362  1.00 40.89 ? 183 LEU C C     1 
ATOM   736  O O     . LEU C 3 22  ? 6.809   -15.829 11.058  1.00 46.07 ? 183 LEU C O     1 
ATOM   737  C CB    . LEU C 3 22  ? 5.328   -12.902 10.412  1.00 34.64 ? 183 LEU C CB    1 
ATOM   738  C CG    . LEU C 3 22  ? 5.731   -11.459 10.154  1.00 42.68 ? 183 LEU C CG    1 
ATOM   739  C CD1   . LEU C 3 22  ? 4.922   -10.505 11.022  1.00 38.33 ? 183 LEU C CD1   1 
ATOM   740  C CD2   . LEU C 3 22  ? 7.208   -11.298 10.418  1.00 42.21 ? 183 LEU C CD2   1 
ATOM   741  N N     . LEU C 3 23  ? 4.745   -15.912 10.184  1.00 39.14 ? 184 LEU C N     1 
ATOM   742  C CA    . LEU C 3 23  ? 4.426   -17.152 10.878  1.00 48.09 ? 184 LEU C CA    1 
ATOM   743  C C     . LEU C 3 23  ? 5.289   -18.298 10.381  1.00 40.25 ? 184 LEU C C     1 
ATOM   744  O O     . LEU C 3 23  ? 5.844   -19.066 11.175  1.00 43.19 ? 184 LEU C O     1 
ATOM   745  C CB    . LEU C 3 23  ? 2.939   -17.473 10.692  1.00 35.27 ? 184 LEU C CB    1 
ATOM   746  C CG    . LEU C 3 23  ? 1.979   -16.605 11.501  1.00 43.45 ? 184 LEU C CG    1 
ATOM   747  C CD1   . LEU C 3 23  ? 0.556   -17.035 11.252  1.00 45.56 ? 184 LEU C CD1   1 
ATOM   748  C CD2   . LEU C 3 23  ? 2.304   -16.682 12.995  1.00 41.24 ? 184 LEU C CD2   1 
ATOM   749  N N     . LEU C 3 24  ? 5.429   -18.413 9.063   1.00 40.54 ? 185 LEU C N     1 
ATOM   750  C CA    . LEU C 3 24  ? 6.159   -19.538 8.499   1.00 43.27 ? 185 LEU C CA    1 
ATOM   751  C C     . LEU C 3 24  ? 7.621   -19.512 8.907   1.00 43.45 ? 185 LEU C C     1 
ATOM   752  O O     . LEU C 3 24  ? 8.230   -20.570 9.112   1.00 45.02 ? 185 LEU C O     1 
ATOM   753  C CB    . LEU C 3 24  ? 6.027   -19.530 6.982   1.00 43.88 ? 185 LEU C CB    1 
ATOM   754  C CG    . LEU C 3 24  ? 4.639   -19.947 6.500   1.00 39.23 ? 185 LEU C CG    1 
ATOM   755  C CD1   . LEU C 3 24  ? 4.493   -19.659 5.024   1.00 44.37 ? 185 LEU C CD1   1 
ATOM   756  C CD2   . LEU C 3 24  ? 4.443   -21.424 6.768   1.00 46.31 ? 185 LEU C CD2   1 
ATOM   757  N N     . ARG C 3 25  ? 8.209   -18.321 9.020   1.00 37.56 ? 186 ARG C N     1 
ATOM   758  C CA    . ARG C 3 25  ? 9.618   -18.218 9.380   1.00 48.14 ? 186 ARG C CA    1 
ATOM   759  C C     . ARG C 3 25  ? 9.874   -18.155 10.874  1.00 47.20 ? 186 ARG C C     1 
ATOM   760  O O     . ARG C 3 25  ? 11.036  -18.149 11.273  1.00 47.21 ? 186 ARG C O     1 
ATOM   761  C CB    . ARG C 3 25  ? 10.257  -16.991 8.731   1.00 42.44 ? 186 ARG C CB    1 
ATOM   762  C CG    . ARG C 3 25  ? 10.308  -17.067 7.246   1.00 51.60 ? 186 ARG C CG    1 
ATOM   763  C CD    . ARG C 3 25  ? 11.149  -15.938 6.684   1.00 62.68 ? 186 ARG C CD    1 
ATOM   764  N NE    . ARG C 3 25  ? 10.837  -14.637 7.265   1.00 47.07 ? 186 ARG C NE    1 
ATOM   765  C CZ    . ARG C 3 25  ? 9.888   -13.825 6.826   1.00 52.24 ? 186 ARG C CZ    1 
ATOM   766  N NH1   . ARG C 3 25  ? 9.095   -14.165 5.816   1.00 55.67 ? 186 ARG C NH1   1 
ATOM   767  N NH2   . ARG C 3 25  ? 9.751   -12.629 7.389   1.00 50.69 ? 186 ARG C NH2   1 
ATOM   768  N N     . GLY C 3 26  ? 8.839   -18.098 11.705  1.00 48.21 ? 187 GLY C N     1 
ATOM   769  C CA    . GLY C 3 26  ? 9.068   -17.922 13.123  1.00 45.92 ? 187 GLY C CA    1 
ATOM   770  C C     . GLY C 3 26  ? 9.651   -16.573 13.487  1.00 53.13 ? 187 GLY C C     1 
ATOM   771  O O     . GLY C 3 26  ? 10.422  -16.474 14.448  1.00 48.57 ? 187 GLY C O     1 
ATOM   772  N N     . ASP C 3 27  ? 9.314   -15.529 12.736  1.00 43.84 ? 188 ASP C N     1 
ATOM   773  C CA    . ASP C 3 27  ? 9.702   -14.170 13.086  1.00 46.44 ? 188 ASP C CA    1 
ATOM   774  C C     . ASP C 3 27  ? 8.615   -13.498 13.915  1.00 55.71 ? 188 ASP C C     1 
ATOM   775  O O     . ASP C 3 27  ? 7.422   -13.792 13.774  1.00 46.80 ? 188 ASP C O     1 
ATOM   776  C CB    . ASP C 3 27  ? 9.996   -13.342 11.837  1.00 48.67 ? 188 ASP C CB    1 
ATOM   777  C CG    . ASP C 3 27  ? 11.188  -13.859 11.079  1.00 52.22 ? 188 ASP C CG    1 
ATOM   778  O OD1   . ASP C 3 27  ? 12.098  -14.409 11.732  1.00 46.89 ? 188 ASP C OD1   1 
ATOM   779  O OD2   . ASP C 3 27  ? 11.197  -13.750 9.838   1.00 57.21 ? 188 ASP C OD2   1 
ATOM   780  N N     . MET C 3 28  ? 9.047   -12.592 14.791  1.00 51.27 ? 189 MET C N     1 
ATOM   781  C CA    . MET C 3 28  ? 8.150   -11.873 15.688  1.00 49.79 ? 189 MET C CA    1 
ATOM   782  C C     . MET C 3 28  ? 7.207   -12.850 16.383  1.00 52.05 ? 189 MET C C     1 
ATOM   783  O O     . MET C 3 28  ? 5.992   -12.650 16.442  1.00 49.54 ? 189 MET C O     1 
ATOM   784  C CB    . MET C 3 28  ? 7.373   -10.786 14.948  1.00 49.42 ? 189 MET C CB    1 
ATOM   785  C CG    . MET C 3 28  ? 8.244   -9.881  14.082  1.00 54.85 ? 189 MET C CG    1 
ATOM   786  S SD    . MET C 3 28  ? 7.371   -8.383  13.540  1.00 51.52 ? 189 MET C SD    1 
ATOM   787  C CE    . MET C 3 28  ? 7.603   -7.364  15.009  1.00 51.12 ? 189 MET C CE    1 
ATOM   788  N N     . ARG C 3 29  ? 7.790   -13.938 16.898  1.00 54.84 ? 190 ARG C N     1 
ATOM   789  C CA    . ARG C 3 29  ? 7.021   -14.977 17.574  1.00 57.02 ? 190 ARG C CA    1 
ATOM   790  C C     . ARG C 3 29  ? 6.471   -14.506 18.915  1.00 50.85 ? 190 ARG C C     1 
ATOM   791  O O     . ARG C 3 29  ? 5.630   -15.193 19.504  1.00 47.03 ? 190 ARG C O     1 
ATOM   792  C CB    . ARG C 3 29  ? 7.875   -16.230 17.751  1.00 60.68 ? 190 ARG C CB    1 
ATOM   793  C CG    . ARG C 3 29  ? 7.575   -17.291 16.706  1.00 51.85 ? 190 ARG C CG    1 
ATOM   794  C CD    . ARG C 3 29  ? 8.493   -18.499 16.836  1.00 71.54 ? 190 ARG C CD    1 
ATOM   795  N NE    . ARG C 3 29  ? 7.851   -19.702 16.317  1.00 78.63 ? 190 ARG C NE    1 
ATOM   796  C CZ    . ARG C 3 29  ? 7.140   -20.548 17.053  1.00 90.19 ? 190 ARG C CZ    1 
ATOM   797  N NH1   . ARG C 3 29  ? 6.971   -20.362 18.354  1.00 77.49 ? 190 ARG C NH1   1 
ATOM   798  N NH2   . ARG C 3 29  ? 6.580   -21.604 16.469  1.00 90.93 ? 190 ARG C NH2   1 
ATOM   799  N N     . GLU C 3 30  ? 6.924   -13.358 19.403  1.00 43.83 ? 191 GLU C N     1 
ATOM   800  C CA    . GLU C 3 30  ? 6.327   -12.754 20.582  1.00 57.63 ? 191 GLU C CA    1 
ATOM   801  C C     . GLU C 3 30  ? 5.090   -11.928 20.244  1.00 50.81 ? 191 GLU C C     1 
ATOM   802  O O     . GLU C 3 30  ? 4.359   -11.528 21.155  1.00 56.81 ? 191 GLU C O     1 
ATOM   803  C CB    . GLU C 3 30  ? 7.368   -11.886 21.296  1.00 55.88 ? 191 GLU C CB    1 
ATOM   804  C CG    . GLU C 3 30  ? 7.686   -10.556 20.601  1.00 63.23 ? 191 GLU C CG    1 
ATOM   805  C CD    . GLU C 3 30  ? 8.654   -10.679 19.420  1.00 66.80 ? 191 GLU C CD    1 
ATOM   806  O OE1   . GLU C 3 30  ? 8.861   -11.801 18.891  1.00 58.67 ? 191 GLU C OE1   1 
ATOM   807  O OE2   . GLU C 3 30  ? 9.232   -9.636  19.035  1.00 69.69 ? 191 GLU C OE2   1 
ATOM   808  N N     . CYS C 3 31  ? 4.832   -11.673 18.959  1.00 51.93 ? 192 CYS C N     1 
ATOM   809  C CA    . CYS C 3 31  ? 3.717   -10.834 18.534  1.00 47.79 ? 192 CYS C CA    1 
ATOM   810  C C     . CYS C 3 31  ? 2.613   -11.599 17.829  1.00 44.59 ? 192 CYS C C     1 
ATOM   811  O O     . CYS C 3 31  ? 1.464   -11.147 17.841  1.00 43.15 ? 192 CYS C O     1 
ATOM   812  C CB    . CYS C 3 31  ? 4.215   -9.715  17.609  1.00 50.40 ? 192 CYS C CB    1 
ATOM   813  S SG    . CYS C 3 31  ? 5.599   -8.805  18.327  1.00 51.79 ? 192 CYS C SG    1 
ATOM   814  N N     . VAL C 3 32  ? 2.922   -12.742 17.229  1.00 39.01 ? 193 VAL C N     1 
ATOM   815  C CA    . VAL C 3 32  ? 1.915   -13.557 16.573  1.00 38.49 ? 193 VAL C CA    1 
ATOM   816  C C     . VAL C 3 32  ? 2.445   -14.978 16.567  1.00 38.19 ? 193 VAL C C     1 
ATOM   817  O O     . VAL C 3 32  ? 3.656   -15.206 16.535  1.00 45.35 ? 193 VAL C O     1 
ATOM   818  C CB    . VAL C 3 32  ? 1.600   -13.054 15.140  1.00 51.50 ? 193 VAL C CB    1 
ATOM   819  C CG1   . VAL C 3 32  ? 2.787   -13.272 14.199  1.00 42.28 ? 193 VAL C CG1   1 
ATOM   820  C CG2   . VAL C 3 32  ? 0.336   -13.705 14.588  1.00 41.74 ? 193 VAL C CG2   1 
ATOM   821  N N     . TRP C 3 33  ? 1.531   -15.936 16.641  1.00 38.22 ? 194 TRP C N     1 
ATOM   822  C CA    . TRP C 3 33  ? 1.906   -17.338 16.692  1.00 38.92 ? 194 TRP C CA    1 
ATOM   823  C C     . TRP C 3 33  ? 0.756   -18.175 16.160  1.00 37.63 ? 194 TRP C C     1 
ATOM   824  O O     . TRP C 3 33  ? -0.401  -17.748 16.161  1.00 40.76 ? 194 TRP C O     1 
ATOM   825  C CB    . TRP C 3 33  ? 2.245   -17.763 18.122  1.00 40.87 ? 194 TRP C CB    1 
ATOM   826  C CG    . TRP C 3 33  ? 1.217   -17.283 19.103  1.00 45.15 ? 194 TRP C CG    1 
ATOM   827  C CD1   . TRP C 3 33  ? -0.031  -17.798 19.300  1.00 41.33 ? 194 TRP C CD1   1 
ATOM   828  C CD2   . TRP C 3 33  ? 1.361   -16.202 20.041  1.00 50.47 ? 194 TRP C CD2   1 
ATOM   829  N NE1   . TRP C 3 33  ? -0.678  -17.098 20.301  1.00 46.49 ? 194 TRP C NE1   1 
ATOM   830  C CE2   . TRP C 3 33  ? 0.156   -16.116 20.769  1.00 43.23 ? 194 TRP C CE2   1 
ATOM   831  C CE3   . TRP C 3 33  ? 2.390   -15.299 20.331  1.00 53.83 ? 194 TRP C CE3   1 
ATOM   832  C CZ2   . TRP C 3 33  ? -0.050  -15.158 21.763  1.00 52.41 ? 194 TRP C CZ2   1 
ATOM   833  C CZ3   . TRP C 3 33  ? 2.186   -14.353 21.331  1.00 53.42 ? 194 TRP C CZ3   1 
ATOM   834  C CH2   . TRP C 3 33  ? 0.976   -14.290 22.029  1.00 50.77 ? 194 TRP C CH2   1 
ATOM   835  N N     . TRP C 3 34  ? 1.092   -19.377 15.701  1.00 39.70 ? 195 TRP C N     1 
ATOM   836  C CA    . TRP C 3 34  ? 0.069   -20.352 15.358  1.00 37.19 ? 195 TRP C CA    1 
ATOM   837  C C     . TRP C 3 34  ? -0.659  -20.809 16.626  1.00 49.41 ? 195 TRP C C     1 
ATOM   838  O O     . TRP C 3 34  ? -0.031  -21.058 17.663  1.00 39.77 ? 195 TRP C O     1 
ATOM   839  C CB    . TRP C 3 34  ? 0.695   -21.552 14.660  1.00 37.05 ? 195 TRP C CB    1 
ATOM   840  C CG    . TRP C 3 34  ? 1.287   -21.271 13.309  1.00 45.17 ? 195 TRP C CG    1 
ATOM   841  C CD1   . TRP C 3 34  ? 2.609   -21.312 12.967  1.00 38.95 ? 195 TRP C CD1   1 
ATOM   842  C CD2   . TRP C 3 34  ? 0.575   -20.936 12.115  1.00 41.70 ? 195 TRP C CD2   1 
ATOM   843  N NE1   . TRP C 3 34  ? 2.764   -21.017 11.644  1.00 44.51 ? 195 TRP C NE1   1 
ATOM   844  C CE2   . TRP C 3 34  ? 1.532   -20.787 11.090  1.00 43.66 ? 195 TRP C CE2   1 
ATOM   845  C CE3   . TRP C 3 34  ? -0.781  -20.749 11.810  1.00 42.36 ? 195 TRP C CE3   1 
ATOM   846  C CZ2   . TRP C 3 34  ? 1.183   -20.452 9.775   1.00 40.71 ? 195 TRP C CZ2   1 
ATOM   847  C CZ3   . TRP C 3 34  ? -1.128  -20.418 10.495  1.00 50.79 ? 195 TRP C CZ3   1 
ATOM   848  C CH2   . TRP C 3 34  ? -0.143  -20.271 9.496   1.00 37.83 ? 195 TRP C CH2   1 
ATOM   849  N N     . VAL C 3 35  ? -1.987  -20.867 16.554  1.00 38.21 ? 196 VAL C N     1 
ATOM   850  C CA    . VAL C 3 35  ? -2.793  -21.499 17.594  1.00 39.51 ? 196 VAL C CA    1 
ATOM   851  C C     . VAL C 3 35  ? -3.104  -22.949 17.251  1.00 42.94 ? 196 VAL C C     1 
ATOM   852  O O     . VAL C 3 35  ? -2.991  -23.837 18.099  1.00 51.96 ? 196 VAL C O     1 
ATOM   853  C CB    . VAL C 3 35  ? -4.082  -20.685 17.815  1.00 41.07 ? 196 VAL C CB    1 
ATOM   854  C CG1   . VAL C 3 35  ? -5.084  -21.475 18.641  1.00 42.45 ? 196 VAL C CG1   1 
ATOM   855  C CG2   . VAL C 3 35  ? -3.743  -19.383 18.512  1.00 50.80 ? 196 VAL C CG2   1 
ATOM   856  N N     . GLU C 3 36  ? -3.536  -23.202 16.016  1.00 42.67 ? 197 GLU C N     1 
ATOM   857  C CA    . GLU C 3 36  ? -3.707  -24.555 15.489  1.00 38.48 ? 197 GLU C CA    1 
ATOM   858  C C     . GLU C 3 36  ? -3.139  -24.505 14.082  1.00 48.33 ? 197 GLU C C     1 
ATOM   859  O O     . GLU C 3 36  ? -3.858  -24.196 13.119  1.00 36.80 ? 197 GLU C O     1 
ATOM   860  C CB    . GLU C 3 36  ? -5.173  -24.986 15.459  1.00 51.53 ? 197 GLU C CB    1 
ATOM   861  C CG    . GLU C 3 36  ? -5.992  -24.655 16.694  1.00 53.87 ? 197 GLU C CG    1 
ATOM   862  C CD    . GLU C 3 36  ? -7.310  -25.393 16.694  1.00 61.76 ? 197 GLU C CD    1 
ATOM   863  O OE1   . GLU C 3 36  ? -7.297  -26.600 16.370  1.00 73.18 ? 197 GLU C OE1   1 
ATOM   864  O OE2   . GLU C 3 36  ? -8.354  -24.770 16.996  1.00 61.06 ? 197 GLU C OE2   1 
ATOM   865  N N     . PRO C 3 37  ? -1.851  -24.821 13.918  1.00 47.16 ? 198 PRO C N     1 
ATOM   866  C CA    . PRO C 3 37  ? -1.206  -24.585 12.613  1.00 40.84 ? 198 PRO C CA    1 
ATOM   867  C C     . PRO C 3 37  ? -1.810  -25.397 11.488  1.00 40.09 ? 198 PRO C C     1 
ATOM   868  O O     . PRO C 3 37  ? -2.021  -24.866 10.391  1.00 42.99 ? 198 PRO C O     1 
ATOM   869  C CB    . PRO C 3 37  ? 0.264   -24.976 12.863  1.00 46.04 ? 198 PRO C CB    1 
ATOM   870  C CG    . PRO C 3 37  ? 0.401   -25.153 14.357  1.00 39.83 ? 198 PRO C CG    1 
ATOM   871  C CD    . PRO C 3 37  ? -0.963  -25.504 14.871  1.00 38.45 ? 198 PRO C CD    1 
ATOM   872  N N     . GLY C 3 38  ? -2.108  -26.673 11.737  1.00 45.21 ? 199 GLY C N     1 
ATOM   873  C CA    . GLY C 3 38  ? -2.741  -27.494 10.720  1.00 39.96 ? 199 GLY C CA    1 
ATOM   874  C C     . GLY C 3 38  ? -4.046  -26.914 10.216  1.00 50.44 ? 199 GLY C C     1 
ATOM   875  O O     . GLY C 3 38  ? -4.411  -27.111 9.051   1.00 40.07 ? 199 GLY C O     1 
ATOM   876  N N     . ALA C 3 39  ? -4.762  -26.187 11.071  1.00 51.04 ? 200 ALA C N     1 
ATOM   877  C CA    . ALA C 3 39  ? -6.007  -25.543 10.676  1.00 46.36 ? 200 ALA C CA    1 
ATOM   878  C C     . ALA C 3 39  ? -5.800  -24.125 10.154  1.00 43.35 ? 200 ALA C C     1 
ATOM   879  O O     . ALA C 3 39  ? -6.764  -23.500 9.697   1.00 44.81 ? 200 ALA C O     1 
ATOM   880  C CB    . ALA C 3 39  ? -6.982  -25.522 11.860  1.00 36.31 ? 200 ALA C CB    1 
ATOM   881  N N     . GLY C 3 40  ? -4.578  -23.606 10.206  1.00 35.55 ? 201 GLY C N     1 
ATOM   882  C CA    . GLY C 3 40  ? -4.327  -22.253 9.753   1.00 35.24 ? 201 GLY C CA    1 
ATOM   883  C C     . GLY C 3 40  ? -4.710  -21.162 10.724  1.00 38.89 ? 201 GLY C C     1 
ATOM   884  O O     . GLY C 3 40  ? -4.807  -20.003 10.319  1.00 41.13 ? 201 GLY C O     1 
ATOM   885  N N     . VAL C 3 41  ? -4.909  -21.485 11.998  1.00 34.36 ? 202 VAL C N     1 
ATOM   886  C CA    . VAL C 3 41  ? -5.436  -20.545 12.980  1.00 37.74 ? 202 VAL C CA    1 
ATOM   887  C C     . VAL C 3 41  ? -4.283  -19.909 13.741  1.00 35.88 ? 202 VAL C C     1 
ATOM   888  O O     . VAL C 3 41  ? -3.442  -20.615 14.311  1.00 37.96 ? 202 VAL C O     1 
ATOM   889  C CB    . VAL C 3 41  ? -6.401  -21.241 13.955  1.00 42.19 ? 202 VAL C CB    1 
ATOM   890  C CG1   . VAL C 3 41  ? -7.006  -20.222 14.875  1.00 41.82 ? 202 VAL C CG1   1 
ATOM   891  C CG2   . VAL C 3 41  ? -7.479  -21.999 13.198  1.00 47.31 ? 202 VAL C CG2   1 
ATOM   892  N N     . PHE C 3 42  ? -4.241  -18.580 13.758  1.00 34.87 ? 203 PHE C N     1 
ATOM   893  C CA    . PHE C 3 42  ? -3.181  -17.855 14.439  1.00 35.30 ? 203 PHE C CA    1 
ATOM   894  C C     . PHE C 3 42  ? -3.773  -16.746 15.303  1.00 35.89 ? 203 PHE C C     1 
ATOM   895  O O     . PHE C 3 42  ? -4.952  -16.408 15.191  1.00 38.32 ? 203 PHE C O     1 
ATOM   896  C CB    . PHE C 3 42  ? -2.160  -17.289 13.436  1.00 39.33 ? 203 PHE C CB    1 
ATOM   897  C CG    . PHE C 3 42  ? -2.719  -16.255 12.494  1.00 33.41 ? 203 PHE C CG    1 
ATOM   898  C CD1   . PHE C 3 42  ? -3.527  -16.620 11.433  1.00 32.66 ? 203 PHE C CD1   1 
ATOM   899  C CD2   . PHE C 3 42  ? -2.413  -14.914 12.663  1.00 38.21 ? 203 PHE C CD2   1 
ATOM   900  C CE1   . PHE C 3 42  ? -4.028  -15.656 10.568  1.00 31.94 ? 203 PHE C CE1   1 
ATOM   901  C CE2   . PHE C 3 42  ? -2.904  -13.948 11.795  1.00 35.68 ? 203 PHE C CE2   1 
ATOM   902  C CZ    . PHE C 3 42  ? -3.715  -14.321 10.748  1.00 32.09 ? 203 PHE C CZ    1 
ATOM   903  N N     . GLN C 3 43  ? -2.934  -16.160 16.156  1.00 38.13 ? 204 GLN C N     1 
ATOM   904  C CA    . GLN C 3 43  ? -3.397  -15.186 17.137  1.00 45.67 ? 204 GLN C CA    1 
ATOM   905  C C     . GLN C 3 43  ? -2.302  -14.177 17.436  1.00 39.96 ? 204 GLN C C     1 
ATOM   906  O O     . GLN C 3 43  ? -1.115  -14.516 17.480  1.00 38.09 ? 204 GLN C O     1 
ATOM   907  C CB    . GLN C 3 43  ? -3.839  -15.874 18.439  1.00 45.32 ? 204 GLN C CB    1 
ATOM   908  C CG    . GLN C 3 43  ? -4.195  -14.939 19.587  1.00 46.66 ? 204 GLN C CG    1 
ATOM   909  C CD    . GLN C 3 43  ? -4.526  -15.692 20.890  1.00 43.94 ? 204 GLN C CD    1 
ATOM   910  O OE1   . GLN C 3 43  ? -3.917  -16.712 21.208  1.00 42.85 ? 204 GLN C OE1   1 
ATOM   911  N NE2   . GLN C 3 43  ? -5.523  -15.204 21.613  1.00 43.33 ? 204 GLN C NE2   1 
ATOM   912  N N     . PHE C 3 44  ? -2.726  -12.942 17.696  1.00 38.04 ? 205 PHE C N     1 
ATOM   913  C CA    . PHE C 3 44  ? -1.822  -11.856 18.031  1.00 38.50 ? 205 PHE C CA    1 
ATOM   914  C C     . PHE C 3 44  ? -1.641  -11.740 19.540  1.00 43.45 ? 205 PHE C C     1 
ATOM   915  O O     . PHE C 3 44  ? -2.540  -12.059 20.326  1.00 48.09 ? 205 PHE C O     1 
ATOM   916  C CB    . PHE C 3 44  ? -2.341  -10.530 17.470  1.00 40.86 ? 205 PHE C CB    1 
ATOM   917  C CG    . PHE C 3 44  ? -2.253  -10.432 15.969  1.00 45.61 ? 205 PHE C CG    1 
ATOM   918  C CD1   . PHE C 3 44  ? -1.041  -10.180 15.348  1.00 44.58 ? 205 PHE C CD1   1 
ATOM   919  C CD2   . PHE C 3 44  ? -3.379  -10.593 15.182  1.00 37.44 ? 205 PHE C CD2   1 
ATOM   920  C CE1   . PHE C 3 44  ? -0.952  -10.087 13.959  1.00 34.63 ? 205 PHE C CE1   1 
ATOM   921  C CE2   . PHE C 3 44  ? -3.298  -10.508 13.811  1.00 37.54 ? 205 PHE C CE2   1 
ATOM   922  C CZ    . PHE C 3 44  ? -2.075  -10.257 13.199  1.00 33.77 ? 205 PHE C CZ    1 
ATOM   923  N N     . SER C 3 45  ? -0.468  -11.249 19.930  1.00 41.61 ? 206 SER C N     1 
ATOM   924  C CA    . SER C 3 45  ? -0.181  -10.977 21.329  1.00 43.24 ? 206 SER C CA    1 
ATOM   925  C C     . SER C 3 45  ? -0.975  -9.759  21.769  1.00 46.93 ? 206 SER C C     1 
ATOM   926  O O     . SER C 3 45  ? -0.999  -8.740  21.072  1.00 46.65 ? 206 SER C O     1 
ATOM   927  C CB    . SER C 3 45  ? 1.317   -10.735 21.517  1.00 47.75 ? 206 SER C CB    1 
ATOM   928  O OG    . SER C 3 45  ? 1.618   -10.191 22.800  1.00 55.00 ? 206 SER C OG    1 
ATOM   929  N N     . SER C 3 46  ? -1.642  -9.863  22.920  1.00 45.11 ? 207 SER C N     1 
ATOM   930  C CA    . SER C 3 46  ? -2.375  -8.705  23.408  1.00 45.87 ? 207 SER C CA    1 
ATOM   931  C C     . SER C 3 46  ? -1.441  -7.570  23.801  1.00 49.76 ? 207 SER C C     1 
ATOM   932  O O     . SER C 3 46  ? -1.806  -6.399  23.653  1.00 57.32 ? 207 SER C O     1 
ATOM   933  C CB    . SER C 3 46  ? -3.263  -9.089  24.583  1.00 49.73 ? 207 SER C CB    1 
ATOM   934  O OG    . SER C 3 46  ? -3.914  -7.937  25.084  1.00 52.86 ? 207 SER C OG    1 
ATOM   935  N N     . LYS C 3 47  ? -0.222  -7.876  24.242  1.00 51.36 ? 208 LYS C N     1 
ATOM   936  C CA    . LYS C 3 47  ? 0.644   -6.815  24.735  1.00 58.73 ? 208 LYS C CA    1 
ATOM   937  C C     . LYS C 3 47  ? 1.635   -6.328  23.691  1.00 51.11 ? 208 LYS C C     1 
ATOM   938  O O     . LYS C 3 47  ? 1.985   -5.144  23.697  1.00 63.28 ? 208 LYS C O     1 
ATOM   939  C CB    . LYS C 3 47  ? 1.437   -7.289  25.963  1.00 52.92 ? 208 LYS C CB    1 
ATOM   940  C CG    . LYS C 3 47  ? 0.603   -7.898  27.078  1.00 65.58 ? 208 LYS C CG    1 
ATOM   941  C CD    . LYS C 3 47  ? -0.069  -6.833  27.929  1.00 75.45 ? 208 LYS C CD    1 
ATOM   942  C CE    . LYS C 3 47  ? -1.332  -7.366  28.602  1.00 75.31 ? 208 LYS C CE    1 
ATOM   943  N NZ    . LYS C 3 47  ? -1.348  -8.855  28.725  1.00 76.42 ? 208 LYS C NZ    1 
ATOM   944  N N     . HIS C 3 48  ? 2.053   -7.187  22.763  1.00 46.24 ? 209 HIS C N     1 
ATOM   945  C CA    . HIS C 3 48  ? 3.136   -6.852  21.848  1.00 50.87 ? 209 HIS C CA    1 
ATOM   946  C C     . HIS C 3 48  ? 2.688   -6.746  20.397  1.00 50.07 ? 209 HIS C C     1 
ATOM   947  O O     . HIS C 3 48  ? 3.535   -6.758  19.501  1.00 50.76 ? 209 HIS C O     1 
ATOM   948  C CB    . HIS C 3 48  ? 4.267   -7.872  21.971  1.00 55.74 ? 209 HIS C CB    1 
ATOM   949  C CG    . HIS C 3 48  ? 4.763   -8.053  23.373  1.00 58.36 ? 209 HIS C CG    1 
ATOM   950  N ND1   . HIS C 3 48  ? 4.535   -9.200  24.103  1.00 58.69 ? 209 HIS C ND1   1 
ATOM   951  C CD2   . HIS C 3 48  ? 5.487   -7.235  24.172  1.00 61.40 ? 209 HIS C CD2   1 
ATOM   952  C CE1   . HIS C 3 48  ? 5.088   -9.075  25.297  1.00 61.60 ? 209 HIS C CE1   1 
ATOM   953  N NE2   . HIS C 3 48  ? 5.672   -7.892  25.365  1.00 66.41 ? 209 HIS C NE2   1 
ATOM   954  N N     . LYS C 3 49  ? 1.383   -6.605  20.144  1.00 46.97 ? 210 LYS C N     1 
ATOM   955  C CA    . LYS C 3 49  ? 0.908   -6.596  18.763  1.00 45.51 ? 210 LYS C CA    1 
ATOM   956  C C     . LYS C 3 49  ? 1.261   -5.299  18.044  1.00 50.06 ? 210 LYS C C     1 
ATOM   957  O O     . LYS C 3 49  ? 1.411   -5.299  16.816  1.00 49.47 ? 210 LYS C O     1 
ATOM   958  C CB    . LYS C 3 49  ? -0.604  -6.823  18.720  1.00 47.29 ? 210 LYS C CB    1 
ATOM   959  C CG    . LYS C 3 49  ? -1.412  -5.783  19.472  1.00 40.99 ? 210 LYS C CG    1 
ATOM   960  C CD    . LYS C 3 49  ? -2.895  -6.122  19.432  1.00 50.81 ? 210 LYS C CD    1 
ATOM   961  C CE    . LYS C 3 49  ? -3.729  -5.033  20.095  1.00 45.56 ? 210 LYS C CE    1 
ATOM   962  N NZ    . LYS C 3 49  ? -3.392  -4.876  21.556  1.00 43.73 ? 210 LYS C NZ    1 
ATOM   963  N N     . GLU C 3 50  ? 1.415   -4.190  18.771  1.00 44.06 ? 211 GLU C N     1 
ATOM   964  C CA    . GLU C 3 50  ? 1.671   -2.935  18.077  1.00 41.05 ? 211 GLU C CA    1 
ATOM   965  C C     . GLU C 3 50  ? 3.075   -2.907  17.498  1.00 50.81 ? 211 GLU C C     1 
ATOM   966  O O     . GLU C 3 50  ? 3.331   -2.137  16.572  1.00 49.36 ? 211 GLU C O     1 
ATOM   967  C CB    . GLU C 3 50  ? 1.503   -1.741  19.013  1.00 51.64 ? 211 GLU C CB    1 
ATOM   968  C CG    . GLU C 3 50  ? 0.197   -1.720  19.777  1.00 58.40 ? 211 GLU C CG    1 
ATOM   969  C CD    . GLU C 3 50  ? -0.923  -1.193  18.923  1.00 56.42 ? 211 GLU C CD    1 
ATOM   970  O OE1   . GLU C 3 50  ? -0.627  -0.387  18.016  1.00 52.81 ? 211 GLU C OE1   1 
ATOM   971  O OE2   . GLU C 3 50  ? -2.087  -1.590  19.152  1.00 57.38 ? 211 GLU C OE2   1 
ATOM   972  N N     . LEU C 3 51  ? 3.983   -3.740  18.016  1.00 46.81 ? 212 LEU C N     1 
ATOM   973  C CA    . LEU C 3 51  ? 5.319   -3.826  17.437  1.00 50.89 ? 212 LEU C CA    1 
ATOM   974  C C     . LEU C 3 51  ? 5.255   -4.440  16.047  1.00 49.56 ? 212 LEU C C     1 
ATOM   975  O O     . LEU C 3 51  ? 5.863   -3.929  15.101  1.00 58.42 ? 212 LEU C O     1 
ATOM   976  C CB    . LEU C 3 51  ? 6.241   -4.640  18.348  1.00 44.49 ? 212 LEU C CB    1 
ATOM   977  C CG    . LEU C 3 51  ? 7.701   -4.788  17.914  1.00 60.66 ? 212 LEU C CG    1 
ATOM   978  C CD1   . LEU C 3 51  ? 8.362   -3.420  17.778  1.00 68.58 ? 212 LEU C CD1   1 
ATOM   979  C CD2   . LEU C 3 51  ? 8.481   -5.664  18.891  1.00 56.84 ? 212 LEU C CD2   1 
ATOM   980  N N     . LEU C 3 52  ? 4.504   -5.534  15.904  1.00 46.53 ? 213 LEU C N     1 
ATOM   981  C CA    . LEU C 3 52  ? 4.261   -6.090  14.580  1.00 44.93 ? 213 LEU C CA    1 
ATOM   982  C C     . LEU C 3 52  ? 3.540   -5.081  13.696  1.00 47.11 ? 213 LEU C C     1 
ATOM   983  O O     . LEU C 3 52  ? 3.788   -5.014  12.487  1.00 40.52 ? 213 LEU C O     1 
ATOM   984  C CB    . LEU C 3 52  ? 3.453   -7.382  14.701  1.00 46.91 ? 213 LEU C CB    1 
ATOM   985  C CG    . LEU C 3 52  ? 3.111   -8.196  13.450  1.00 37.93 ? 213 LEU C CG    1 
ATOM   986  C CD1   . LEU C 3 52  ? 2.853   -9.619  13.887  1.00 43.70 ? 213 LEU C CD1   1 
ATOM   987  C CD2   . LEU C 3 52  ? 1.893   -7.641  12.727  1.00 41.85 ? 213 LEU C CD2   1 
ATOM   988  N N     . ALA C 3 53  ? 2.613   -4.315  14.277  1.00 50.10 ? 214 ALA C N     1 
ATOM   989  C CA    . ALA C 3 53  ? 1.892   -3.311  13.502  1.00 46.48 ? 214 ALA C CA    1 
ATOM   990  C C     . ALA C 3 53  ? 2.868   -2.301  12.913  1.00 45.21 ? 214 ALA C C     1 
ATOM   991  O O     . ALA C 3 53  ? 2.861   -2.045  11.701  1.00 47.77 ? 214 ALA C O     1 
ATOM   992  C CB    . ALA C 3 53  ? 0.849   -2.619  14.382  1.00 38.12 ? 214 ALA C CB    1 
ATOM   993  N N     . ARG C 3 54  ? 3.757   -1.756  13.752  1.00 40.33 ? 215 ARG C N     1 
ATOM   994  C CA    . ARG C 3 54  ? 4.725   -0.779  13.264  1.00 53.64 ? 215 ARG C CA    1 
ATOM   995  C C     . ARG C 3 54  ? 5.637   -1.403  12.213  1.00 52.52 ? 215 ARG C C     1 
ATOM   996  O O     . ARG C 3 54  ? 5.959   -0.764  11.201  1.00 40.48 ? 215 ARG C O     1 
ATOM   997  C CB    . ARG C 3 54  ? 5.541   -0.207  14.420  1.00 49.88 ? 215 ARG C CB    1 
ATOM   998  C CG    . ARG C 3 54  ? 4.910   1.024   15.085  1.00 66.72 ? 215 ARG C CG    1 
ATOM   999  C CD    . ARG C 3 54  ? 4.118   0.659   16.334  1.00 60.72 ? 215 ARG C CD    1 
ATOM   1000 N NE    . ARG C 3 54  ? 3.893   1.791   17.226  1.00 69.65 ? 215 ARG C NE    1 
ATOM   1001 C CZ    . ARG C 3 54  ? 4.774   2.239   18.115  1.00 80.83 ? 215 ARG C CZ    1 
ATOM   1002 N NH1   . ARG C 3 54  ? 5.962   1.670   18.263  1.00 79.91 ? 215 ARG C NH1   1 
ATOM   1003 N NH2   . ARG C 3 54  ? 4.455   3.281   18.878  1.00 80.22 ? 215 ARG C NH2   1 
ATOM   1004 N N     . ARG C 3 55  ? 6.037   -2.663  12.425  1.00 45.75 ? 216 ARG C N     1 
ATOM   1005 C CA    . ARG C 3 55  ? 6.855   -3.369  11.438  1.00 49.49 ? 216 ARG C CA    1 
ATOM   1006 C C     . ARG C 3 55  ? 6.127   -3.468  10.090  1.00 54.97 ? 216 ARG C C     1 
ATOM   1007 O O     . ARG C 3 55  ? 6.756   -3.380  9.025   1.00 51.99 ? 216 ARG C O     1 
ATOM   1008 C CB    . ARG C 3 55  ? 7.220   -4.756  11.986  1.00 44.99 ? 216 ARG C CB    1 
ATOM   1009 C CG    . ARG C 3 55  ? 8.317   -5.488  11.229  1.00 60.92 ? 216 ARG C CG    1 
ATOM   1010 C CD    . ARG C 3 55  ? 9.685   -4.833  11.436  1.00 66.48 ? 216 ARG C CD    1 
ATOM   1011 N NE    . ARG C 3 55  ? 10.119  -4.849  12.830  1.00 60.53 ? 216 ARG C NE    1 
ATOM   1012 C CZ    . ARG C 3 55  ? 10.779  -5.856  13.389  1.00 71.74 ? 216 ARG C CZ    1 
ATOM   1013 N NH1   . ARG C 3 55  ? 11.076  -6.951  12.704  1.00 71.24 ? 216 ARG C NH1   1 
ATOM   1014 N NH2   . ARG C 3 55  ? 11.165  -5.758  14.660  1.00 66.74 ? 216 ARG C NH2   1 
ATOM   1015 N N     . TRP C 3 56  ? 4.803   -3.667  10.118  1.00 45.76 ? 217 TRP C N     1 
ATOM   1016 C CA    . TRP C 3 56  ? 4.003   -3.689  8.888   1.00 48.92 ? 217 TRP C CA    1 
ATOM   1017 C C     . TRP C 3 56  ? 4.006   -2.324  8.211   1.00 47.53 ? 217 TRP C C     1 
ATOM   1018 O O     . TRP C 3 56  ? 4.138   -2.231  6.983   1.00 42.59 ? 217 TRP C O     1 
ATOM   1019 C CB    . TRP C 3 56  ? 2.571   -4.143  9.194   1.00 40.72 ? 217 TRP C CB    1 
ATOM   1020 C CG    . TRP C 3 56  ? 1.545   -3.976  8.071   1.00 43.48 ? 217 TRP C CG    1 
ATOM   1021 C CD1   . TRP C 3 56  ? 0.363   -3.292  8.150   1.00 44.76 ? 217 TRP C CD1   1 
ATOM   1022 C CD2   . TRP C 3 56  ? 1.603   -4.517  6.731   1.00 32.16 ? 217 TRP C CD2   1 
ATOM   1023 N NE1   . TRP C 3 56  ? -0.313  -3.371  6.951   1.00 40.63 ? 217 TRP C NE1   1 
ATOM   1024 C CE2   . TRP C 3 56  ? 0.425   -4.114  6.067   1.00 38.84 ? 217 TRP C CE2   1 
ATOM   1025 C CE3   . TRP C 3 56  ? 2.538   -5.291  6.033   1.00 43.41 ? 217 TRP C CE3   1 
ATOM   1026 C CZ2   . TRP C 3 56  ? 0.156   -4.463  4.738   1.00 41.57 ? 217 TRP C CZ2   1 
ATOM   1027 C CZ3   . TRP C 3 56  ? 2.274   -5.636  4.715   1.00 34.22 ? 217 TRP C CZ3   1 
ATOM   1028 C CH2   . TRP C 3 56  ? 1.090   -5.224  4.083   1.00 42.32 ? 217 TRP C CH2   1 
ATOM   1029 N N     . GLY C 3 57  ? 3.792   -1.255  8.987   1.00 42.67 ? 218 GLY C N     1 
ATOM   1030 C CA    . GLY C 3 57  ? 3.845   0.079   8.411   1.00 45.28 ? 218 GLY C CA    1 
ATOM   1031 C C     . GLY C 3 57  ? 5.175   0.349   7.737   1.00 54.76 ? 218 GLY C C     1 
ATOM   1032 O O     . GLY C 3 57  ? 5.222   0.851   6.608   1.00 50.80 ? 218 GLY C O     1 
ATOM   1033 N N     . GLN C 3 58  ? 6.276   -0.021  8.402   1.00 48.98 ? 219 GLN C N     1 
ATOM   1034 C CA    . GLN C 3 58  ? 7.597   0.213   7.831   1.00 47.54 ? 219 GLN C CA    1 
ATOM   1035 C C     . GLN C 3 58  ? 7.764   -0.596  6.557   1.00 44.28 ? 219 GLN C C     1 
ATOM   1036 O O     . GLN C 3 58  ? 8.240   -0.079  5.544   1.00 44.12 ? 219 GLN C O     1 
ATOM   1037 C CB    . GLN C 3 58  ? 8.693   -0.156  8.833   1.00 47.53 ? 219 GLN C CB    1 
ATOM   1038 C CG    . GLN C 3 58  ? 8.718   0.690   10.097  1.00 51.22 ? 219 GLN C CG    1 
ATOM   1039 C CD    . GLN C 3 58  ? 9.815   0.266   11.047  1.00 64.51 ? 219 GLN C CD    1 
ATOM   1040 O OE1   . GLN C 3 58  ? 9.992   -0.920  11.319  1.00 69.35 ? 219 GLN C OE1   1 
ATOM   1041 N NE2   . GLN C 3 58  ? 10.571  1.233   11.544  1.00 61.72 ? 219 GLN C NE2   1 
ATOM   1042 N N     . GLN C 3 59  ? 7.354   -1.869  6.598   1.00 45.26 ? 220 GLN C N     1 
ATOM   1043 C CA    . GLN C 3 59  ? 7.435   -2.767  5.451   1.00 39.27 ? 220 GLN C CA    1 
ATOM   1044 C C     . GLN C 3 59  ? 6.819   -2.148  4.199   1.00 49.61 ? 220 GLN C C     1 
ATOM   1045 O O     . GLN C 3 59  ? 7.341   -2.320  3.089   1.00 44.11 ? 220 GLN C O     1 
ATOM   1046 C CB    . GLN C 3 59  ? 6.726   -4.081  5.792   1.00 40.86 ? 220 GLN C CB    1 
ATOM   1047 C CG    . GLN C 3 59  ? 6.400   -4.960  4.595   1.00 45.10 ? 220 GLN C CG    1 
ATOM   1048 C CD    . GLN C 3 59  ? 7.554   -5.864  4.222   1.00 50.03 ? 220 GLN C CD    1 
ATOM   1049 O OE1   . GLN C 3 59  ? 8.138   -6.524  5.082   1.00 49.07 ? 220 GLN C OE1   1 
ATOM   1050 N NE2   . GLN C 3 59  ? 7.903   -5.886  2.938   1.00 42.95 ? 220 GLN C NE2   1 
ATOM   1051 N N     . LYS C 3 60  ? 5.709   -1.420  4.358   1.00 40.36 ? 221 LYS C N     1 
ATOM   1052 C CA    . LYS C 3 60  ? 4.987   -0.830  3.237   1.00 49.24 ? 221 LYS C CA    1 
ATOM   1053 C C     . LYS C 3 60  ? 5.401   0.614   2.977   1.00 46.55 ? 221 LYS C C     1 
ATOM   1054 O O     . LYS C 3 60  ? 4.977   1.200   1.975   1.00 50.74 ? 221 LYS C O     1 
ATOM   1055 C CB    . LYS C 3 60  ? 3.463   -0.873  3.480   1.00 47.46 ? 221 LYS C CB    1 
ATOM   1056 C CG    . LYS C 3 60  ? 2.810   -2.250  3.376   1.00 42.35 ? 221 LYS C CG    1 
ATOM   1057 C CD    . LYS C 3 60  ? 2.299   -2.553  1.957   1.00 47.91 ? 221 LYS C CD    1 
ATOM   1058 C CE    . LYS C 3 60  ? 1.429   -1.454  1.362   1.00 45.99 ? 221 LYS C CE    1 
ATOM   1059 N NZ    . LYS C 3 60  ? 0.025   -1.476  1.880   1.00 37.97 ? 221 LYS C NZ    1 
ATOM   1060 N N     . GLY C 3 61  ? 6.209   1.196   3.855   1.00 50.53 ? 222 GLY C N     1 
ATOM   1061 C CA    . GLY C 3 61  ? 6.664   2.565   3.688   1.00 42.78 ? 222 GLY C CA    1 
ATOM   1062 C C     . GLY C 3 61  ? 5.550   3.588   3.720   1.00 54.59 ? 222 GLY C C     1 
ATOM   1063 O O     . GLY C 3 61  ? 5.574   4.544   2.936   1.00 50.25 ? 222 GLY C O     1 
ATOM   1064 N N     . ASN C 3 62  ? 4.593   3.433   4.639   1.00 50.88 ? 223 ASN C N     1 
ATOM   1065 C CA    . ASN C 3 62  ? 3.460   4.344   4.740   1.00 53.75 ? 223 ASN C CA    1 
ATOM   1066 C C     . ASN C 3 62  ? 3.885   5.643   5.410   1.00 51.89 ? 223 ASN C C     1 
ATOM   1067 O O     . ASN C 3 62  ? 4.931   5.723   6.057   1.00 62.73 ? 223 ASN C O     1 
ATOM   1068 C CB    . ASN C 3 62  ? 2.301   3.720   5.521   1.00 52.94 ? 223 ASN C CB    1 
ATOM   1069 C CG    . ASN C 3 62  ? 1.789   2.434   4.897   1.00 51.72 ? 223 ASN C CG    1 
ATOM   1070 O OD1   . ASN C 3 62  ? 1.893   2.232   3.686   1.00 49.49 ? 223 ASN C OD1   1 
ATOM   1071 N ND2   . ASN C 3 62  ? 1.186   1.580   5.716   1.00 52.21 ? 223 ASN C ND2   1 
ATOM   1072 N N     . ARG C 3 63  ? 3.047   6.672   5.266   1.00 58.55 ? 224 ARG C N     1 
ATOM   1073 C CA    . ARG C 3 63  ? 3.447   7.981   5.769   1.00 62.28 ? 224 ARG C CA    1 
ATOM   1074 C C     . ARG C 3 63  ? 3.192   8.112   7.262   1.00 58.45 ? 224 ARG C C     1 
ATOM   1075 O O     . ARG C 3 63  ? 3.858   8.910   7.930   1.00 64.13 ? 224 ARG C O     1 
ATOM   1076 C CB    . ARG C 3 63  ? 2.728   9.098   5.007   1.00 63.16 ? 224 ARG C CB    1 
ATOM   1077 C CG    . ARG C 3 63  ? 3.380   9.420   3.666   1.00 76.87 ? 224 ARG C CG    1 
ATOM   1078 C CD    . ARG C 3 63  ? 2.819   10.686  3.021   1.00 83.47 ? 224 ARG C CD    1 
ATOM   1079 N NE    . ARG C 3 63  ? 3.567   11.881  3.409   1.00 87.16 ? 224 ARG C NE    1 
ATOM   1080 C CZ    . ARG C 3 63  ? 4.800   12.170  3.007   1.00 82.55 ? 224 ARG C CZ    1 
ATOM   1081 N NH1   . ARG C 3 63  ? 5.472   11.368  2.196   1.00 75.90 ? 224 ARG C NH1   1 
ATOM   1082 N NH2   . ARG C 3 63  ? 5.375   13.292  3.433   1.00 75.15 ? 224 ARG C NH2   1 
ATOM   1083 N N     . LYS C 3 64  ? 2.247   7.349   7.797   1.00 58.79 ? 225 LYS C N     1 
ATOM   1084 C CA    . LYS C 3 64  ? 1.881   7.414   9.200   1.00 53.88 ? 225 LYS C CA    1 
ATOM   1085 C C     . LYS C 3 64  ? 2.265   6.107   9.884   1.00 54.77 ? 225 LYS C C     1 
ATOM   1086 O O     . LYS C 3 64  ? 2.447   5.070   9.240   1.00 52.96 ? 225 LYS C O     1 
ATOM   1087 C CB    . LYS C 3 64  ? 0.378   7.674   9.356   1.00 62.39 ? 225 LYS C CB    1 
ATOM   1088 C CG    . LYS C 3 64  ? -0.166  8.755   8.432   1.00 61.89 ? 225 LYS C CG    1 
ATOM   1089 C CD    . LYS C 3 64  ? 0.038   10.144  9.006   1.00 55.42 ? 225 LYS C CD    1 
ATOM   1090 C CE    . LYS C 3 64  ? -1.036  11.111  8.538   1.00 63.31 ? 225 LYS C CE    1 
ATOM   1091 N NZ    . LYS C 3 64  ? -1.771  10.627  7.323   1.00 70.18 ? 225 LYS C NZ    1 
ATOM   1092 N N     . ARG C 3 65  ? 2.408   6.169   11.202  1.00 58.14 ? 226 ARG C N     1 
ATOM   1093 C CA    . ARG C 3 65  ? 2.749   4.980   11.969  1.00 59.07 ? 226 ARG C CA    1 
ATOM   1094 C C     . ARG C 3 65  ? 1.598   3.982   11.896  1.00 53.47 ? 226 ARG C C     1 
ATOM   1095 O O     . ARG C 3 65  ? 0.431   4.359   12.015  1.00 54.08 ? 226 ARG C O     1 
ATOM   1096 C CB    . ARG C 3 65  ? 3.024   5.364   13.417  1.00 60.41 ? 226 ARG C CB    1 
ATOM   1097 C CG    . ARG C 3 65  ? 3.441   4.223   14.318  1.00 71.37 ? 226 ARG C CG    1 
ATOM   1098 C CD    . ARG C 3 65  ? 3.673   4.744   15.731  1.00 80.16 ? 226 ARG C CD    1 
ATOM   1099 N NE    . ARG C 3 65  ? 4.709   5.770   15.797  1.00 84.51 ? 226 ARG C NE    1 
ATOM   1100 C CZ    . ARG C 3 65  ? 5.995   5.525   16.007  1.00 94.58 ? 226 ARG C CZ    1 
ATOM   1101 N NH1   . ARG C 3 65  ? 6.444   4.294   16.187  1.00 97.71 ? 226 ARG C NH1   1 
ATOM   1102 N NH2   . ARG C 3 65  ? 6.850   6.544   16.057  1.00 95.06 ? 226 ARG C NH2   1 
ATOM   1103 N N     . MET C 3 66  ? 1.916   2.709   11.677  1.00 52.60 ? 227 MET C N     1 
ATOM   1104 C CA    . MET C 3 66  ? 0.881   1.686   11.591  1.00 51.14 ? 227 MET C CA    1 
ATOM   1105 C C     . MET C 3 66  ? 0.557   1.129   12.974  1.00 49.34 ? 227 MET C C     1 
ATOM   1106 O O     . MET C 3 66  ? 1.453   0.689   13.697  1.00 45.20 ? 227 MET C O     1 
ATOM   1107 C CB    . MET C 3 66  ? 1.308   0.549   10.668  1.00 41.70 ? 227 MET C CB    1 
ATOM   1108 C CG    . MET C 3 66  ? 0.387   -0.664  10.722  1.00 34.90 ? 227 MET C CG    1 
ATOM   1109 S SD    . MET C 3 66  ? -1.297  -0.340  10.171  1.00 49.34 ? 227 MET C SD    1 
ATOM   1110 C CE    . MET C 3 66  ? -0.959  0.149   8.471   1.00 45.74 ? 227 MET C CE    1 
ATOM   1111 N N     . THR C 3 67  ? -0.722  1.142   13.327  1.00 48.29 ? 228 THR C N     1 
ATOM   1112 C CA    . THR C 3 67  ? -1.218  0.615   14.588  1.00 46.20 ? 228 THR C CA    1 
ATOM   1113 C C     . THR C 3 67  ? -2.045  -0.634  14.325  1.00 42.85 ? 228 THR C C     1 
ATOM   1114 O O     . THR C 3 67  ? -2.464  -0.885  13.192  1.00 39.10 ? 228 THR C O     1 
ATOM   1115 C CB    . THR C 3 67  ? -2.045  1.660   15.336  1.00 40.24 ? 228 THR C CB    1 
ATOM   1116 O OG1   . THR C 3 67  ? -3.256  1.914   14.618  1.00 40.42 ? 228 THR C OG1   1 
ATOM   1117 C CG2   . THR C 3 67  ? -1.257  2.948   15.510  1.00 45.98 ? 228 THR C CG2   1 
ATOM   1118 N N     . TYR C 3 68  ? -2.291  -1.418  15.383  1.00 42.40 ? 229 TYR C N     1 
ATOM   1119 C CA    . TYR C 3 68  ? -3.007  -2.673  15.174  1.00 36.84 ? 229 TYR C CA    1 
ATOM   1120 C C     . TYR C 3 68  ? -4.467  -2.400  14.864  1.00 39.57 ? 229 TYR C C     1 
ATOM   1121 O O     . TYR C 3 68  ? -5.127  -3.218  14.205  1.00 43.47 ? 229 TYR C O     1 
ATOM   1122 C CB    . TYR C 3 68  ? -2.868  -3.593  16.387  1.00 42.38 ? 229 TYR C CB    1 
ATOM   1123 C CG    . TYR C 3 68  ? -3.658  -4.879  16.259  1.00 37.24 ? 229 TYR C CG    1 
ATOM   1124 C CD1   . TYR C 3 68  ? -3.077  -6.001  15.684  1.00 37.76 ? 229 TYR C CD1   1 
ATOM   1125 C CD2   . TYR C 3 68  ? -4.976  -4.979  16.711  1.00 38.87 ? 229 TYR C CD2   1 
ATOM   1126 C CE1   . TYR C 3 68  ? -3.768  -7.188  15.548  1.00 36.06 ? 229 TYR C CE1   1 
ATOM   1127 C CE2   . TYR C 3 68  ? -5.685  -6.172  16.580  1.00 42.47 ? 229 TYR C CE2   1 
ATOM   1128 C CZ    . TYR C 3 68  ? -5.066  -7.269  15.998  1.00 37.63 ? 229 TYR C CZ    1 
ATOM   1129 O OH    . TYR C 3 68  ? -5.733  -8.454  15.861  1.00 36.29 ? 229 TYR C OH    1 
ATOM   1130 N N     . GLN C 3 69  ? -4.988  -1.259  15.323  1.00 43.69 ? 230 GLN C N     1 
ATOM   1131 C CA    . GLN C 3 69  ? -6.361  -0.904  14.992  1.00 42.36 ? 230 GLN C CA    1 
ATOM   1132 C C     . GLN C 3 69  ? -6.485  -0.800  13.479  1.00 41.04 ? 230 GLN C C     1 
ATOM   1133 O O     . GLN C 3 69  ? -7.342  -1.439  12.868  1.00 39.38 ? 230 GLN C O     1 
ATOM   1134 C CB    . GLN C 3 69  ? -6.766  0.399   15.697  1.00 41.49 ? 230 GLN C CB    1 
ATOM   1135 C CG    . GLN C 3 69  ? -8.274  0.669   15.679  1.00 43.89 ? 230 GLN C CG    1 
ATOM   1136 C CD    . GLN C 3 69  ? -8.753  1.595   16.802  1.00 57.58 ? 230 GLN C CD    1 
ATOM   1137 O OE1   . GLN C 3 69  ? -8.010  2.440   17.292  1.00 43.43 ? 230 GLN C OE1   1 
ATOM   1138 N NE2   . GLN C 3 69  ? -10.019 1.455   17.180  1.00 60.72 ? 230 GLN C NE2   1 
ATOM   1139 N N     . LYS C 3 70  ? -5.604  -0.012  12.858  1.00 43.68 ? 231 LYS C N     1 
ATOM   1140 C CA    . LYS C 3 70  ? -5.627  0.147   11.409  1.00 43.80 ? 231 LYS C CA    1 
ATOM   1141 C C     . LYS C 3 70  ? -5.275  -1.167  10.725  1.00 35.61 ? 231 LYS C C     1 
ATOM   1142 O O     . LYS C 3 70  ? -5.776  -1.448  9.635   1.00 37.17 ? 231 LYS C O     1 
ATOM   1143 C CB    . LYS C 3 70  ? -4.660  1.256   10.999  1.00 41.55 ? 231 LYS C CB    1 
ATOM   1144 C CG    . LYS C 3 70  ? -5.137  2.630   11.425  1.00 45.00 ? 231 LYS C CG    1 
ATOM   1145 C CD    . LYS C 3 70  ? -4.189  3.724   10.985  1.00 50.95 ? 231 LYS C CD    1 
ATOM   1146 C CE    . LYS C 3 70  ? -2.755  3.406   11.360  1.00 55.11 ? 231 LYS C CE    1 
ATOM   1147 N NZ    . LYS C 3 70  ? -1.834  4.539   11.030  1.00 49.07 ? 231 LYS C NZ    1 
ATOM   1148 N N     . LEU C 3 71  ? -4.455  -2.005  11.368  1.00 37.77 ? 232 LEU C N     1 
ATOM   1149 C CA    . LEU C 3 71  ? -4.128  -3.301  10.779  1.00 37.87 ? 232 LEU C CA    1 
ATOM   1150 C C     . LEU C 3 71  ? -5.334  -4.231  10.815  1.00 38.44 ? 232 LEU C C     1 
ATOM   1151 O O     . LEU C 3 71  ? -5.645  -4.897  9.819   1.00 43.53 ? 232 LEU C O     1 
ATOM   1152 C CB    . LEU C 3 71  ? -2.921  -3.915  11.499  1.00 35.33 ? 232 LEU C CB    1 
ATOM   1153 C CG    . LEU C 3 71  ? -2.185  -5.075  10.812  1.00 35.80 ? 232 LEU C CG    1 
ATOM   1154 C CD1   . LEU C 3 71  ? -0.762  -5.197  11.304  1.00 33.42 ? 232 LEU C CD1   1 
ATOM   1155 C CD2   . LEU C 3 71  ? -2.900  -6.394  11.027  1.00 35.49 ? 232 LEU C CD2   1 
ATOM   1156 N N     . ALA C 3 72  ? -6.029  -4.288  11.957  1.00 44.37 ? 233 ALA C N     1 
ATOM   1157 C CA    . ALA C 3 72  ? -7.219  -5.123  12.049  1.00 39.12 ? 233 ALA C CA    1 
ATOM   1158 C C     . ALA C 3 72  ? -8.309  -4.591  11.144  1.00 40.07 ? 233 ALA C C     1 
ATOM   1159 O O     . ALA C 3 72  ? -9.071  -5.367  10.569  1.00 34.34 ? 233 ALA C O     1 
ATOM   1160 C CB    . ALA C 3 72  ? -7.736  -5.190  13.488  1.00 34.86 ? 233 ALA C CB    1 
ATOM   1161 N N     . ARG C 3 73  ? -8.405  -3.264  11.033  1.00 38.35 ? 234 ARG C N     1 
ATOM   1162 C CA    . ARG C 3 73  ? -9.346  -2.673  10.097  1.00 40.80 ? 234 ARG C CA    1 
ATOM   1163 C C     . ARG C 3 73  ? -9.071  -3.177  8.690   1.00 33.99 ? 234 ARG C C     1 
ATOM   1164 O O     . ARG C 3 73  ? -10.000 -3.541  7.963   1.00 35.36 ? 234 ARG C O     1 
ATOM   1165 C CB    . ARG C 3 73  ? -9.266  -1.148  10.160  1.00 33.90 ? 234 ARG C CB    1 
ATOM   1166 C CG    . ARG C 3 73  ? -10.257 -0.466  9.236   1.00 51.46 ? 234 ARG C CG    1 
ATOM   1167 C CD    . ARG C 3 73  ? -11.684 -0.917  9.540   1.00 44.71 ? 234 ARG C CD    1 
ATOM   1168 N NE    . ARG C 3 73  ? -12.655 -0.406  8.579   1.00 54.28 ? 234 ARG C NE    1 
ATOM   1169 C CZ    . ARG C 3 73  ? -12.996 -1.022  7.453   1.00 56.19 ? 234 ARG C CZ    1 
ATOM   1170 N NH1   . ARG C 3 73  ? -12.436 -2.165  7.091   1.00 38.32 ? 234 ARG C NH1   1 
ATOM   1171 N NH2   . ARG C 3 73  ? -13.933 -0.482  6.675   1.00 56.89 ? 234 ARG C NH2   1 
ATOM   1172 N N     . ALA C 3 74  ? -7.790  -3.273  8.318   1.00 33.76 ? 235 ALA C N     1 
ATOM   1173 C CA    . ALA C 3 74  ? -7.441  -3.775  6.991   1.00 33.43 ? 235 ALA C CA    1 
ATOM   1174 C C     . ALA C 3 74  ? -7.847  -5.236  6.849   1.00 36.31 ? 235 ALA C C     1 
ATOM   1175 O O     . ALA C 3 74  ? -8.473  -5.619  5.852   1.00 40.73 ? 235 ALA C O     1 
ATOM   1176 C CB    . ALA C 3 74  ? -5.942  -3.602  6.748   1.00 39.10 ? 235 ALA C CB    1 
ATOM   1177 N N     . LEU C 3 75  ? -7.564  -6.050  7.877   1.00 33.69 ? 236 LEU C N     1 
ATOM   1178 C CA    . LEU C 3 75  ? -7.917  -7.470  7.841   1.00 37.63 ? 236 LEU C CA    1 
ATOM   1179 C C     . LEU C 3 75  ? -9.424  -7.671  7.688   1.00 44.71 ? 236 LEU C C     1 
ATOM   1180 O O     . LEU C 3 75  ? -9.865  -8.706  7.169   1.00 41.30 ? 236 LEU C O     1 
ATOM   1181 C CB    . LEU C 3 75  ? -7.422  -8.163  9.117   1.00 32.67 ? 236 LEU C CB    1 
ATOM   1182 C CG    . LEU C 3 75  ? -5.916  -8.408  9.280   1.00 41.56 ? 236 LEU C CG    1 
ATOM   1183 C CD1   . LEU C 3 75  ? -5.578  -8.914  10.702  1.00 31.92 ? 236 LEU C CD1   1 
ATOM   1184 C CD2   . LEU C 3 75  ? -5.396  -9.379  8.239   1.00 31.27 ? 236 LEU C CD2   1 
ATOM   1185 N N     . ARG C 3 76  ? -10.237 -6.698  8.115   1.00 34.99 ? 237 ARG C N     1 
ATOM   1186 C CA    . ARG C 3 76  ? -11.676 -6.920  8.047   1.00 39.33 ? 237 ARG C CA    1 
ATOM   1187 C C     . ARG C 3 76  ? -12.128 -7.070  6.604   1.00 41.84 ? 237 ARG C C     1 
ATOM   1188 O O     . ARG C 3 76  ? -13.125 -7.756  6.330   1.00 45.10 ? 237 ARG C O     1 
ATOM   1189 C CB    . ARG C 3 76  ? -12.440 -5.784  8.746   1.00 39.24 ? 237 ARG C CB    1 
ATOM   1190 C CG    . ARG C 3 76  ? -13.152 -6.197  10.055  1.00 63.58 ? 237 ARG C CG    1 
ATOM   1191 C CD    . ARG C 3 76  ? -13.481 -5.009  10.974  1.00 50.16 ? 237 ARG C CD    1 
ATOM   1192 N NE    . ARG C 3 76  ? -12.475 -4.842  12.020  1.00 66.83 ? 237 ARG C NE    1 
ATOM   1193 C CZ    . ARG C 3 76  ? -12.249 -3.716  12.686  1.00 53.19 ? 237 ARG C CZ    1 
ATOM   1194 N NH1   . ARG C 3 76  ? -12.944 -2.616  12.446  1.00 57.70 ? 237 ARG C NH1   1 
ATOM   1195 N NH2   . ARG C 3 76  ? -11.295 -3.691  13.614  1.00 61.31 ? 237 ARG C NH2   1 
ATOM   1196 N N     . ASN C 3 77  ? -11.415 -6.436  5.669   1.00 39.67 ? 238 ASN C N     1 
ATOM   1197 C CA    . ASN C 3 77  ? -11.850 -6.450  4.281   1.00 40.75 ? 238 ASN C CA    1 
ATOM   1198 C C     . ASN C 3 77  ? -11.658 -7.815  3.644   1.00 37.72 ? 238 ASN C C     1 
ATOM   1199 O O     . ASN C 3 77  ? -12.293 -8.103  2.626   1.00 39.50 ? 238 ASN C O     1 
ATOM   1200 C CB    . ASN C 3 77  ? -11.125 -5.379  3.467   1.00 50.14 ? 238 ASN C CB    1 
ATOM   1201 C CG    . ASN C 3 77  ? -11.432 -3.979  3.952   1.00 45.17 ? 238 ASN C CG    1 
ATOM   1202 O OD1   . ASN C 3 77  ? -12.594 -3.637  4.196   1.00 42.92 ? 238 ASN C OD1   1 
ATOM   1203 N ND2   . ASN C 3 77  ? -10.404 -3.146  4.047   1.00 38.43 ? 238 ASN C ND2   1 
ATOM   1204 N N     . TYR C 3 78  ? -10.776 -8.649  4.196   1.00 37.22 ? 239 TYR C N     1 
ATOM   1205 C CA    . TYR C 3 78  ? -10.555 -9.951  3.585   1.00 39.58 ? 239 TYR C CA    1 
ATOM   1206 C C     . TYR C 3 78  ? -11.790 -10.832 3.659   1.00 40.29 ? 239 TYR C C     1 
ATOM   1207 O O     . TYR C 3 78  ? -11.836 -11.850 2.969   1.00 34.77 ? 239 TYR C O     1 
ATOM   1208 C CB    . TYR C 3 78  ? -9.382  -10.684 4.232   1.00 33.06 ? 239 TYR C CB    1 
ATOM   1209 C CG    . TYR C 3 78  ? -8.031  -10.185 3.806   1.00 31.51 ? 239 TYR C CG    1 
ATOM   1210 C CD1   . TYR C 3 78  ? -7.732  -9.996  2.464   1.00 33.90 ? 239 TYR C CD1   1 
ATOM   1211 C CD2   . TYR C 3 78  ? -7.045  -9.907  4.746   1.00 31.76 ? 239 TYR C CD2   1 
ATOM   1212 C CE1   . TYR C 3 78  ? -6.492  -9.540  2.064   1.00 37.02 ? 239 TYR C CE1   1 
ATOM   1213 C CE2   . TYR C 3 78  ? -5.798  -9.442  4.358   1.00 38.59 ? 239 TYR C CE2   1 
ATOM   1214 C CZ    . TYR C 3 78  ? -5.524  -9.263  3.013   1.00 40.78 ? 239 TYR C CZ    1 
ATOM   1215 O OH    . TYR C 3 78  ? -4.286  -8.807  2.609   1.00 41.86 ? 239 TYR C OH    1 
ATOM   1216 N N     . ALA C 3 79  ? -12.784 -10.481 4.482   1.00 39.74 ? 240 ALA C N     1 
ATOM   1217 C CA    . ALA C 3 79  ? -14.017 -11.254 4.479   1.00 44.77 ? 240 ALA C CA    1 
ATOM   1218 C C     . ALA C 3 79  ? -14.610 -11.304 3.086   1.00 37.96 ? 240 ALA C C     1 
ATOM   1219 O O     . ALA C 3 79  ? -15.225 -12.306 2.713   1.00 41.62 ? 240 ALA C O     1 
ATOM   1220 C CB    . ALA C 3 79  ? -15.030 -10.665 5.456   1.00 39.94 ? 240 ALA C CB    1 
ATOM   1221 N N     . LYS C 3 80  ? -14.373 -10.260 2.281   1.00 40.90 ? 241 LYS C N     1 
ATOM   1222 C CA    . LYS C 3 80  ? -14.898 -10.226 0.918   1.00 45.17 ? 241 LYS C CA    1 
ATOM   1223 C C     . LYS C 3 80  ? -14.234 -11.272 0.026   1.00 41.76 ? 241 LYS C C     1 
ATOM   1224 O O     . LYS C 3 80  ? -14.920 -11.963 -0.734  1.00 38.07 ? 241 LYS C O     1 
ATOM   1225 C CB    . LYS C 3 80  ? -14.705 -8.833  0.316   1.00 37.07 ? 241 LYS C CB    1 
ATOM   1226 C CG    . LYS C 3 80  ? -15.528 -7.737  0.967   1.00 49.02 ? 241 LYS C CG    1 
ATOM   1227 C CD    . LYS C 3 80  ? -15.186 -6.386  0.363   1.00 58.38 ? 241 LYS C CD    1 
ATOM   1228 C CE    . LYS C 3 80  ? -15.940 -5.260  1.046   1.00 61.37 ? 241 LYS C CE    1 
ATOM   1229 N NZ    . LYS C 3 80  ? -15.622 -3.932  0.442   1.00 64.31 ? 241 LYS C NZ    1 
ATOM   1230 N N     . THR C 3 81  ? -12.908 -11.414 0.109   1.00 35.61 ? 242 THR C N     1 
ATOM   1231 C CA    . THR C 3 81  ? -12.182 -12.307 -0.785  1.00 38.57 ? 242 THR C CA    1 
ATOM   1232 C C     . THR C 3 81  ? -11.748 -13.608 -0.128  1.00 44.79 ? 242 THR C C     1 
ATOM   1233 O O     . THR C 3 81  ? -11.405 -14.559 -0.842  1.00 37.87 ? 242 THR C O     1 
ATOM   1234 C CB    . THR C 3 81  ? -10.956 -11.593 -1.362  1.00 36.01 ? 242 THR C CB    1 
ATOM   1235 O OG1   . THR C 3 81  ? -10.281 -10.911 -0.306  1.00 42.67 ? 242 THR C OG1   1 
ATOM   1236 C CG2   . THR C 3 81  ? -11.361 -10.605 -2.446  1.00 36.59 ? 242 THR C CG2   1 
ATOM   1237 N N     . GLY C 3 82  ? -11.707 -13.658 1.202   1.00 35.72 ? 243 GLY C N     1 
ATOM   1238 C CA    . GLY C 3 82  ? -11.607 -14.909 1.918   1.00 33.91 ? 243 GLY C CA    1 
ATOM   1239 C C     . GLY C 3 82  ? -10.223 -15.407 2.262   1.00 30.24 ? 243 GLY C C     1 
ATOM   1240 O O     . GLY C 3 82  ? -10.104 -16.545 2.728   1.00 33.15 ? 243 GLY C O     1 
ATOM   1241 N N     . GLU C 3 83  ? -9.174  -14.605 2.076   1.00 35.49 ? 244 GLU C N     1 
ATOM   1242 C CA    . GLU C 3 83  ? -7.833  -15.093 2.397   1.00 38.71 ? 244 GLU C CA    1 
ATOM   1243 C C     . GLU C 3 83  ? -7.658  -15.264 3.903   1.00 36.21 ? 244 GLU C C     1 
ATOM   1244 O O     . GLU C 3 83  ? -6.946  -16.172 4.357   1.00 33.15 ? 244 GLU C O     1 
ATOM   1245 C CB    . GLU C 3 83  ? -6.767  -14.157 1.823   1.00 38.96 ? 244 GLU C CB    1 
ATOM   1246 C CG    . GLU C 3 83  ? -6.751  -14.055 0.297   1.00 40.38 ? 244 GLU C CG    1 
ATOM   1247 C CD    . GLU C 3 83  ? -7.596  -12.909 -0.210  1.00 36.15 ? 244 GLU C CD    1 
ATOM   1248 O OE1   . GLU C 3 83  ? -8.476  -12.446 0.546   1.00 40.54 ? 244 GLU C OE1   1 
ATOM   1249 O OE2   . GLU C 3 83  ? -7.387  -12.473 -1.361  1.00 43.82 ? 244 GLU C OE2   1 
ATOM   1250 N N     . ILE C 3 84  ? -8.255  -14.365 4.681   1.00 33.55 ? 245 ILE C N     1 
ATOM   1251 C CA    . ILE C 3 84  ? -8.240  -14.412 6.135   1.00 34.68 ? 245 ILE C CA    1 
ATOM   1252 C C     . ILE C 3 84  ? -9.648  -14.125 6.628   1.00 40.48 ? 245 ILE C C     1 
ATOM   1253 O O     . ILE C 3 84  ? -10.340 -13.259 6.081   1.00 40.50 ? 245 ILE C O     1 
ATOM   1254 C CB    . ILE C 3 84  ? -7.243  -13.398 6.735   1.00 37.00 ? 245 ILE C CB    1 
ATOM   1255 C CG1   . ILE C 3 84  ? -5.806  -13.792 6.405   1.00 38.73 ? 245 ILE C CG1   1 
ATOM   1256 C CG2   . ILE C 3 84  ? -7.426  -13.277 8.235   1.00 42.34 ? 245 ILE C CG2   1 
ATOM   1257 C CD1   . ILE C 3 84  ? -4.779  -12.831 6.945   1.00 29.88 ? 245 ILE C CD1   1 
ATOM   1258 N N     . ARG C 3 85  ? -10.075 -14.864 7.652   1.00 31.53 ? 246 ARG C N     1 
ATOM   1259 C CA    . ARG C 3 85  ? -11.300 -14.583 8.376   1.00 38.68 ? 246 ARG C CA    1 
ATOM   1260 C C     . ARG C 3 85  ? -10.993 -14.441 9.862   1.00 43.63 ? 246 ARG C C     1 
ATOM   1261 O O     . ARG C 3 85  ? -10.059 -15.059 10.382  1.00 36.04 ? 246 ARG C O     1 
ATOM   1262 C CB    . ARG C 3 85  ? -12.336 -15.691 8.176   1.00 39.01 ? 246 ARG C CB    1 
ATOM   1263 C CG    . ARG C 3 85  ? -12.075 -16.947 8.995   1.00 40.13 ? 246 ARG C CG    1 
ATOM   1264 C CD    . ARG C 3 85  ? -13.349 -17.778 9.105   1.00 42.48 ? 246 ARG C CD    1 
ATOM   1265 N NE    . ARG C 3 85  ? -13.121 -19.062 9.757   1.00 48.74 ? 246 ARG C NE    1 
ATOM   1266 C CZ    . ARG C 3 85  ? -14.089 -19.915 10.063  1.00 47.83 ? 246 ARG C CZ    1 
ATOM   1267 N NH1   . ARG C 3 85  ? -15.353 -19.645 9.791   1.00 49.52 ? 246 ARG C NH1   1 
ATOM   1268 N NH2   . ARG C 3 85  ? -13.783 -21.055 10.679  1.00 36.71 ? 246 ARG C NH2   1 
ATOM   1269 N N     . LYS C 3 86  ? -11.777 -13.611 10.536  1.00 38.01 ? 247 LYS C N     1 
ATOM   1270 C CA    . LYS C 3 86  ? -11.708 -13.532 11.991  1.00 47.20 ? 247 LYS C CA    1 
ATOM   1271 C C     . LYS C 3 86  ? -12.325 -14.786 12.602  1.00 37.92 ? 247 LYS C C     1 
ATOM   1272 O O     . LYS C 3 86  ? -13.325 -15.304 12.102  1.00 40.31 ? 247 LYS C O     1 
ATOM   1273 C CB    . LYS C 3 86  ? -12.441 -12.286 12.494  1.00 45.52 ? 247 LYS C CB    1 
ATOM   1274 C CG    . LYS C 3 86  ? -12.506 -12.139 14.030  1.00 46.44 ? 247 LYS C CG    1 
ATOM   1275 C CD    . LYS C 3 86  ? -11.190 -11.650 14.620  1.00 47.80 ? 247 LYS C CD    1 
ATOM   1276 C CE    . LYS C 3 86  ? -11.307 -11.465 16.123  1.00 38.03 ? 247 LYS C CE    1 
ATOM   1277 N NZ    . LYS C 3 86  ? -11.665 -12.755 16.766  1.00 38.97 ? 247 LYS C NZ    1 
ATOM   1278 N N     . VAL C 3 87  ? -11.692 -15.309 13.646  1.00 40.59 ? 248 VAL C N     1 
ATOM   1279 C CA    . VAL C 3 87  ? -12.224 -16.438 14.408  1.00 41.26 ? 248 VAL C CA    1 
ATOM   1280 C C     . VAL C 3 87  ? -12.833 -15.920 15.711  1.00 44.06 ? 248 VAL C C     1 
ATOM   1281 O O     . VAL C 3 87  ? -12.430 -14.875 16.240  1.00 39.36 ? 248 VAL C O     1 
ATOM   1282 C CB    . VAL C 3 87  ? -11.116 -17.486 14.662  1.00 38.41 ? 248 VAL C CB    1 
ATOM   1283 C CG1   . VAL C 3 87  ? -11.655 -18.710 15.363  1.00 45.85 ? 248 VAL C CG1   1 
ATOM   1284 C CG2   . VAL C 3 87  ? -10.484 -17.899 13.342  1.00 46.88 ? 248 VAL C CG2   1 
ATOM   1285 N N     . LYS C 3 88  ? -13.790 -16.677 16.257  1.00 40.27 ? 249 LYS C N     1 
ATOM   1286 C CA    . LYS C 3 88  ? -14.467 -16.269 17.483  1.00 52.45 ? 249 LYS C CA    1 
ATOM   1287 C C     . LYS C 3 88  ? -13.579 -16.520 18.692  1.00 52.34 ? 249 LYS C C     1 
ATOM   1288 O O     . LYS C 3 88  ? -13.974 -17.215 19.633  1.00 46.91 ? 249 LYS C O     1 
ATOM   1289 C CB    . LYS C 3 88  ? -15.800 -17.003 17.662  1.00 43.73 ? 249 LYS C CB    1 
ATOM   1290 C CG    . LYS C 3 88  ? -16.928 -16.551 16.751  1.00 57.08 ? 249 LYS C CG    1 
ATOM   1291 C CD    . LYS C 3 88  ? -18.197 -17.351 17.050  1.00 48.87 ? 249 LYS C CD    1 
ATOM   1292 C CE    . LYS C 3 88  ? -19.419 -16.729 16.394  1.00 61.71 ? 249 LYS C CE    1 
ATOM   1293 N NZ    . LYS C 3 88  ? -19.233 -16.582 14.926  1.00 67.99 ? 249 LYS C NZ    1 
ATOM   1294 N N     . ARG C 3 89  ? -12.362 -15.991 18.649  1.00 53.81 ? 250 ARG C N     1 
ATOM   1295 C CA    . ARG C 3 89  ? -11.424 -16.055 19.755  1.00 56.10 ? 250 ARG C CA    1 
ATOM   1296 C C     . ARG C 3 89  ? -10.668 -14.738 19.772  1.00 52.73 ? 250 ARG C C     1 
ATOM   1297 O O     . ARG C 3 89  ? -10.415 -14.146 18.718  1.00 49.07 ? 250 ARG C O     1 
ATOM   1298 C CB    . ARG C 3 89  ? -10.452 -17.238 19.639  1.00 58.87 ? 250 ARG C CB    1 
ATOM   1299 C CG    . ARG C 3 89  ? -11.066 -18.604 19.909  1.00 60.09 ? 250 ARG C CG    1 
ATOM   1300 C CD    . ARG C 3 89  ? -10.053 -19.703 19.594  1.00 70.53 ? 250 ARG C CD    1 
ATOM   1301 N NE    . ARG C 3 89  ? -10.446 -20.451 18.403  1.00 75.61 ? 250 ARG C NE    1 
ATOM   1302 C CZ    . ARG C 3 89  ? -9.726  -21.412 17.838  1.00 71.85 ? 250 ARG C CZ    1 
ATOM   1303 N NH1   . ARG C 3 89  ? -8.549  -21.774 18.325  1.00 67.94 ? 250 ARG C NH1   1 
ATOM   1304 N NH2   . ARG C 3 89  ? -10.193 -22.017 16.748  1.00 63.12 ? 250 ARG C NH2   1 
ATOM   1305 N N     . LYS C 3 90  ? -10.320 -14.283 20.978  1.00 51.18 ? 251 LYS C N     1 
ATOM   1306 C CA    . LYS C 3 90  ? -9.685  -12.982 21.157  1.00 49.73 ? 251 LYS C CA    1 
ATOM   1307 C C     . LYS C 3 90  ? -8.440  -12.845 20.287  1.00 41.93 ? 251 LYS C C     1 
ATOM   1308 O O     . LYS C 3 90  ? -7.575  -13.720 20.278  1.00 46.59 ? 251 LYS C O     1 
ATOM   1309 C CB    . LYS C 3 90  ? -9.324  -12.786 22.631  1.00 46.40 ? 251 LYS C CB    1 
ATOM   1310 C CG    . LYS C 3 90  ? -8.408  -11.597 22.891  1.00 56.57 ? 251 LYS C CG    1 
ATOM   1311 C CD    . LYS C 3 90  ? -8.147  -11.404 24.388  1.00 57.06 ? 251 LYS C CD    1 
ATOM   1312 C CE    . LYS C 3 90  ? -7.066  -10.356 24.635  1.00 49.81 ? 251 LYS C CE    1 
ATOM   1313 N NZ    . LYS C 3 90  ? -7.116  -9.859  26.045  1.00 54.28 ? 251 LYS C NZ    1 
ATOM   1314 N N     . LEU C 3 91  ? -8.393  -11.768 19.498  1.00 40.83 ? 252 LEU C N     1 
ATOM   1315 C CA    . LEU C 3 91  ? -7.283  -11.486 18.573  1.00 39.38 ? 252 LEU C CA    1 
ATOM   1316 C C     . LEU C 3 91  ? -6.895  -12.703 17.726  1.00 41.28 ? 252 LEU C C     1 
ATOM   1317 O O     . LEU C 3 91  ? -5.726  -12.883 17.366  1.00 43.09 ? 252 LEU C O     1 
ATOM   1318 C CB    . LEU C 3 91  ? -6.067  -10.980 19.357  1.00 40.13 ? 252 LEU C CB    1 
ATOM   1319 C CG    . LEU C 3 91  ? -6.297  -9.728  20.221  1.00 50.57 ? 252 LEU C CG    1 
ATOM   1320 C CD1   . LEU C 3 91  ? -5.237  -9.623  21.329  1.00 47.23 ? 252 LEU C CD1   1 
ATOM   1321 C CD2   . LEU C 3 91  ? -6.311  -8.452  19.388  1.00 40.35 ? 252 LEU C CD2   1 
ATOM   1322 N N     . THR C 3 92  ? -7.858  -13.544 17.367  1.00 38.20 ? 253 THR C N     1 
ATOM   1323 C CA    . THR C 3 92  ? -7.562  -14.765 16.632  1.00 43.06 ? 253 THR C CA    1 
ATOM   1324 C C     . THR C 3 92  ? -8.114  -14.693 15.210  1.00 45.84 ? 253 THR C C     1 
ATOM   1325 O O     . THR C 3 92  ? -9.228  -14.207 14.994  1.00 45.57 ? 253 THR C O     1 
ATOM   1326 C CB    . THR C 3 92  ? -8.123  -15.973 17.375  1.00 43.66 ? 253 THR C CB    1 
ATOM   1327 O OG1   . THR C 3 92  ? -7.541  -16.020 18.687  1.00 43.69 ? 253 THR C OG1   1 
ATOM   1328 C CG2   . THR C 3 92  ? -7.782  -17.251 16.653  1.00 37.94 ? 253 THR C CG2   1 
ATOM   1329 N N     . TYR C 3 93  ? -7.330  -15.186 14.245  1.00 37.70 ? 254 TYR C N     1 
ATOM   1330 C CA    . TYR C 3 93  ? -7.718  -15.190 12.835  1.00 34.33 ? 254 TYR C CA    1 
ATOM   1331 C C     . TYR C 3 93  ? -7.380  -16.539 12.199  1.00 40.14 ? 254 TYR C C     1 
ATOM   1332 O O     . TYR C 3 93  ? -6.703  -17.384 12.793  1.00 38.95 ? 254 TYR C O     1 
ATOM   1333 C CB    . TYR C 3 93  ? -7.021  -14.068 12.066  1.00 33.86 ? 254 TYR C CB    1 
ATOM   1334 C CG    . TYR C 3 93  ? -7.430  -12.671 12.481  1.00 36.44 ? 254 TYR C CG    1 
ATOM   1335 C CD1   . TYR C 3 93  ? -6.795  -12.019 13.535  1.00 36.26 ? 254 TYR C CD1   1 
ATOM   1336 C CD2   . TYR C 3 93  ? -8.443  -11.999 11.814  1.00 36.42 ? 254 TYR C CD2   1 
ATOM   1337 C CE1   . TYR C 3 93  ? -7.157  -10.726 13.901  1.00 37.00 ? 254 TYR C CE1   1 
ATOM   1338 C CE2   . TYR C 3 93  ? -8.817  -10.724 12.178  1.00 40.85 ? 254 TYR C CE2   1 
ATOM   1339 C CZ    . TYR C 3 93  ? -8.177  -10.095 13.220  1.00 45.99 ? 254 TYR C CZ    1 
ATOM   1340 O OH    . TYR C 3 93  ? -8.557  -8.822  13.561  1.00 56.08 ? 254 TYR C OH    1 
ATOM   1341 N N     . GLN C 3 94  ? -7.847  -16.739 10.966  1.00 36.06 ? 255 GLN C N     1 
ATOM   1342 C CA    . GLN C 3 94  ? -7.640  -18.006 10.269  1.00 42.10 ? 255 GLN C CA    1 
ATOM   1343 C C     . GLN C 3 94  ? -7.360  -17.761 8.797   1.00 40.34 ? 255 GLN C C     1 
ATOM   1344 O O     . GLN C 3 94  ? -8.131  -17.075 8.120   1.00 40.56 ? 255 GLN C O     1 
ATOM   1345 C CB    . GLN C 3 94  ? -8.852  -18.933 10.388  1.00 33.90 ? 255 GLN C CB    1 
ATOM   1346 C CG    . GLN C 3 94  ? -8.602  -20.306 9.780   1.00 35.39 ? 255 GLN C CG    1 
ATOM   1347 C CD    . GLN C 3 94  ? -9.819  -21.203 9.900   1.00 47.16 ? 255 GLN C CD    1 
ATOM   1348 O OE1   . GLN C 3 94  ? -10.950 -20.717 9.919   1.00 40.38 ? 255 GLN C OE1   1 
ATOM   1349 N NE2   . GLN C 3 94  ? -9.597  -22.514 9.994   1.00 38.23 ? 255 GLN C NE2   1 
ATOM   1350 N N     . PHE C 3 95  ? -6.274  -18.346 8.308   1.00 39.06 ? 256 PHE C N     1 
ATOM   1351 C CA    . PHE C 3 95  ? -5.965  -18.345 6.889   1.00 41.27 ? 256 PHE C CA    1 
ATOM   1352 C C     . PHE C 3 95  ? -6.839  -19.336 6.135   1.00 41.16 ? 256 PHE C C     1 
ATOM   1353 O O     . PHE C 3 95  ? -7.192  -20.403 6.649   1.00 36.45 ? 256 PHE C O     1 
ATOM   1354 C CB    . PHE C 3 95  ? -4.505  -18.729 6.661   1.00 35.92 ? 256 PHE C CB    1 
ATOM   1355 C CG    . PHE C 3 95  ? -3.533  -17.670 7.037   1.00 40.50 ? 256 PHE C CG    1 
ATOM   1356 C CD1   . PHE C 3 95  ? -3.378  -16.545 6.235   1.00 38.44 ? 256 PHE C CD1   1 
ATOM   1357 C CD2   . PHE C 3 95  ? -2.731  -17.813 8.159   1.00 31.50 ? 256 PHE C CD2   1 
ATOM   1358 C CE1   . PHE C 3 95  ? -2.468  -15.562 6.567   1.00 37.02 ? 256 PHE C CE1   1 
ATOM   1359 C CE2   . PHE C 3 95  ? -1.807  -16.842 8.487   1.00 33.57 ? 256 PHE C CE2   1 
ATOM   1360 C CZ    . PHE C 3 95  ? -1.677  -15.712 7.688   1.00 39.95 ? 256 PHE C CZ    1 
ATOM   1361 N N     . ASP C 3 96  ? -7.144  -19.000 4.882   1.00 41.78 ? 257 ASP C N     1 
ATOM   1362 C CA    . ASP C 3 96  ? -7.757  -19.986 4.005   1.00 39.19 ? 257 ASP C CA    1 
ATOM   1363 C C     . ASP C 3 96  ? -6.804  -21.158 3.822   1.00 41.03 ? 257 ASP C C     1 
ATOM   1364 O O     . ASP C 3 96  ? -5.581  -20.978 3.769   1.00 40.68 ? 257 ASP C O     1 
ATOM   1365 C CB    . ASP C 3 96  ? -8.102  -19.364 2.652   1.00 43.06 ? 257 ASP C CB    1 
ATOM   1366 C CG    . ASP C 3 96  ? -8.895  -20.309 1.770   1.00 46.24 ? 257 ASP C CG    1 
ATOM   1367 O OD1   . ASP C 3 96  ? -10.064 -20.573 2.119   1.00 44.02 ? 257 ASP C OD1   1 
ATOM   1368 O OD2   . ASP C 3 96  ? -8.354  -20.782 0.741   1.00 42.28 ? 257 ASP C OD2   1 
ATOM   1369 N N     . SER C 3 97  ? -7.362  -22.368 3.733   1.00 34.52 ? 258 SER C N     1 
ATOM   1370 C CA    . SER C 3 97  ? -6.502  -23.547 3.668   1.00 45.94 ? 258 SER C CA    1 
ATOM   1371 C C     . SER C 3 97  ? -5.726  -23.627 2.355   1.00 47.89 ? 258 SER C C     1 
ATOM   1372 O O     . SER C 3 97  ? -4.728  -24.355 2.286   1.00 50.40 ? 258 SER C O     1 
ATOM   1373 C CB    . SER C 3 97  ? -7.314  -24.827 3.840   1.00 51.30 ? 258 SER C CB    1 
ATOM   1374 O OG    . SER C 3 97  ? -8.150  -25.032 2.712   1.00 50.45 ? 258 SER C OG    1 
ATOM   1375 N N     . ALA C 3 98  ? -6.149  -22.897 1.320   1.00 38.79 ? 259 ALA C N     1 
ATOM   1376 C CA    . ALA C 3 98  ? -5.400  -22.886 0.065   1.00 44.93 ? 259 ALA C CA    1 
ATOM   1377 C C     . ALA C 3 98  ? -4.101  -22.119 0.173   1.00 42.36 ? 259 ALA C C     1 
ATOM   1378 O O     . ALA C 3 98  ? -3.366  -22.058 -0.818  1.00 40.07 ? 259 ALA C O     1 
ATOM   1379 C CB    . ALA C 3 98  ? -6.235  -22.300 -1.072  1.00 42.39 ? 259 ALA C CB    1 
ATOM   1380 N N     . LEU C 3 99  ? -3.837  -21.492 1.320   1.00 40.52 ? 260 LEU C N     1 
ATOM   1381 C CA    . LEU C 3 99  ? -2.553  -20.870 1.623   1.00 43.59 ? 260 LEU C CA    1 
ATOM   1382 C C     . LEU C 3 99  ? -1.646  -21.761 2.462   1.00 45.91 ? 260 LEU C C     1 
ATOM   1383 O O     . LEU C 3 99  ? -0.551  -21.331 2.835   1.00 45.61 ? 260 LEU C O     1 
ATOM   1384 C CB    . LEU C 3 99  ? -2.770  -19.547 2.358   1.00 40.26 ? 260 LEU C CB    1 
ATOM   1385 C CG    . LEU C 3 99  ? -3.562  -18.501 1.593   1.00 36.12 ? 260 LEU C CG    1 
ATOM   1386 C CD1   . LEU C 3 99  ? -4.106  -17.442 2.535   1.00 29.49 ? 260 LEU C CD1   1 
ATOM   1387 C CD2   . LEU C 3 99  ? -2.608  -17.877 0.590   1.00 47.67 ? 260 LEU C CD2   1 
ATOM   1388 N N     . LEU C 3 100 ? -2.074  -22.981 2.777   1.00 48.72 ? 261 LEU C N     1 
ATOM   1389 C CA    . LEU C 3 100 ? -1.306  -23.875 3.623   1.00 48.42 ? 261 LEU C CA    1 
ATOM   1390 C C     . LEU C 3 100 ? -0.925  -25.136 2.856   1.00 53.68 ? 261 LEU C C     1 
ATOM   1391 O O     . LEU C 3 100 ? -1.655  -25.555 1.953   1.00 48.35 ? 261 LEU C O     1 
ATOM   1392 C CB    . LEU C 3 100 ? -2.106  -24.273 4.867   1.00 44.49 ? 261 LEU C CB    1 
ATOM   1393 C CG    . LEU C 3 100 ? -2.948  -23.185 5.542   1.00 49.79 ? 261 LEU C CG    1 
ATOM   1394 C CD1   . LEU C 3 100 ? -3.813  -23.801 6.634   1.00 46.05 ? 261 LEU C CD1   1 
ATOM   1395 C CD2   . LEU C 3 100 ? -2.102  -22.033 6.083   1.00 37.84 ? 261 LEU C CD2   1 
ATOM   1396 N N     . PRO C 3 101 ? 0.180   -25.789 3.221   1.00 54.02 ? 262 PRO C N     1 
ATOM   1397 C CA    . PRO C 3 101 ? 0.504   -27.089 2.619   1.00 54.41 ? 262 PRO C CA    1 
ATOM   1398 C C     . PRO C 3 101 ? -0.567  -28.131 2.912   1.00 66.36 ? 262 PRO C C     1 
ATOM   1399 O O     . PRO C 3 101 ? -1.472  -27.932 3.726   1.00 61.01 ? 262 PRO C O     1 
ATOM   1400 C CB    . PRO C 3 101 ? 1.834   -27.470 3.278   1.00 53.00 ? 262 PRO C CB    1 
ATOM   1401 C CG    . PRO C 3 101 ? 1.902   -26.635 4.531   1.00 51.52 ? 262 PRO C CG    1 
ATOM   1402 C CD    . PRO C 3 101 ? 1.194   -25.363 4.206   1.00 54.20 ? 262 PRO C CD    1 
ATOM   1403 N N     . ALA C 3 102 ? -0.431  -29.271 2.233   1.00 71.23 ? 263 ALA C N     1 
ATOM   1404 C CA    . ALA C 3 102 ? -1.389  -30.382 2.267   1.00 60.99 ? 263 ALA C CA    1 
ATOM   1405 C C     . ALA C 3 102 ? -1.976  -30.663 3.648   1.00 66.84 ? 263 ALA C C     1 
ATOM   1406 O O     . ALA C 3 102 ? -3.122  -31.104 3.766   1.00 68.37 ? 263 ALA C O     1 
ATOM   1407 C CB    . ALA C 3 102 ? -0.732  -31.646 1.722   1.00 62.35 ? 263 ALA C CB    1 
HETATM 1408 O "O5'" . 3D1 D 4 .   ? -16.095 -0.030  42.979  1.00 65.26 ? 101 3D1 A "O5'" 1 
HETATM 1409 C "C5'" . 3D1 D 4 .   ? -16.755 0.655   41.922  1.00 57.70 ? 101 3D1 A "C5'" 1 
HETATM 1410 C "C4'" . 3D1 D 4 .   ? -15.872 1.729   41.332  1.00 55.70 ? 101 3D1 A "C4'" 1 
HETATM 1411 O "O4'" . 3D1 D 4 .   ? -14.674 1.136   40.793  1.00 63.41 ? 101 3D1 A "O4'" 1 
HETATM 1412 C "C1'" . 3D1 D 4 .   ? -14.832 0.949   39.382  1.00 54.60 ? 101 3D1 A "C1'" 1 
HETATM 1413 N N9    . 3D1 D 4 .   ? -14.703 -0.480  39.082  1.00 53.86 ? 101 3D1 A N9    1 
HETATM 1414 C C4    . 3D1 D 4 .   ? -15.654 -1.482  39.107  1.00 52.42 ? 101 3D1 A C4    1 
HETATM 1415 N N3    . 3D1 D 4 .   ? -16.963 -1.374  39.384  1.00 51.79 ? 101 3D1 A N3    1 
HETATM 1416 C C2    . 3D1 D 4 .   ? -17.571 -2.554  39.295  1.00 52.61 ? 101 3D1 A C2    1 
HETATM 1417 N N1    . 3D1 D 4 .   ? -17.061 -3.752  38.985  1.00 50.56 ? 101 3D1 A N1    1 
HETATM 1418 C C6    . 3D1 D 4 .   ? -15.738 -3.835  38.711  1.00 55.09 ? 101 3D1 A C6    1 
HETATM 1419 N N6    . 3D1 D 4 .   ? -15.224 -5.020  38.397  1.00 54.82 ? 101 3D1 A N6    1 
HETATM 1420 C C5    . 3D1 D 4 .   ? -14.986 -2.645  38.774  1.00 52.19 ? 101 3D1 A C5    1 
HETATM 1421 N N7    . 3D1 D 4 .   ? -13.642 -2.385  38.554  1.00 53.19 ? 101 3D1 A N7    1 
HETATM 1422 C C8    . 3D1 D 4 .   ? -13.521 -1.097  38.751  1.00 53.99 ? 101 3D1 A C8    1 
HETATM 1423 C "C2'" . 3D1 D 4 .   ? -16.170 1.565   38.992  1.00 53.88 ? 101 3D1 A "C2'" 1 
HETATM 1424 C "C3'" . 3D1 D 4 .   ? -16.485 2.490   40.166  1.00 56.94 ? 101 3D1 A "C3'" 1 
HETATM 1425 O "O3'" . 3D1 D 4 .   ? -15.838 3.750   40.028  1.00 56.58 ? 101 3D1 A "O3'" 1 
HETATM 1426 O "O5'" . THM E 5 .   ? -10.641 6.370   -14.734 1.00 70.70 ? 101 THM B "O5'" 1 
HETATM 1427 C "C5'" . THM E 5 .   ? -10.957 5.359   -15.683 1.00 71.13 ? 101 THM B "C5'" 1 
HETATM 1428 C "C4'" . THM E 5 .   ? -10.587 3.990   -15.168 1.00 63.56 ? 101 THM B "C4'" 1 
HETATM 1429 O "O4'" . THM E 5 .   ? -9.153  3.906   -14.981 1.00 62.65 ? 101 THM B "O4'" 1 
HETATM 1430 C "C3'" . THM E 5 .   ? -11.221 3.648   -13.824 1.00 61.35 ? 101 THM B "C3'" 1 
HETATM 1431 O "O3'" . THM E 5 .   ? -11.649 2.292   -13.825 1.00 63.83 ? 101 THM B "O3'" 1 
HETATM 1432 C "C2'" . THM E 5 .   ? -10.084 3.879   -12.842 1.00 63.36 ? 101 THM B "C2'" 1 
HETATM 1433 C "C1'" . THM E 5 .   ? -8.873  3.466   -13.657 1.00 63.12 ? 101 THM B "C1'" 1 
HETATM 1434 N N1    . THM E 5 .   ? -7.614  4.107   -13.216 1.00 60.90 ? 101 THM B N1    1 
HETATM 1435 C C2    . THM E 5 .   ? -6.503  3.314   -13.015 1.00 53.71 ? 101 THM B C2    1 
HETATM 1436 O O2    . THM E 5 .   ? -6.516  2.099   -13.164 1.00 53.49 ? 101 THM B O2    1 
HETATM 1437 N N3    . THM E 5 .   ? -5.380  3.991   -12.608 1.00 57.94 ? 101 THM B N3    1 
HETATM 1438 C C4    . THM E 5 .   ? -5.255  5.353   -12.401 1.00 59.70 ? 101 THM B C4    1 
HETATM 1439 O O4    . THM E 5 .   ? -4.173  5.822   -12.040 1.00 60.59 ? 101 THM B O4    1 
HETATM 1440 C C5    . THM E 5 .   ? -6.455  6.125   -12.641 1.00 55.91 ? 101 THM B C5    1 
HETATM 1441 C C5M   . THM E 5 .   ? -6.412  7.609   -12.435 1.00 57.09 ? 101 THM B C5M   1 
HETATM 1442 C C6    . THM E 5 .   ? -7.561  5.474   -13.031 1.00 58.73 ? 101 THM B C6    1 
HETATM 1443 O O1    . PG4 F 6 .   ? 1.332   -4.623  -7.287  1.00 54.32 ? 102 PG4 B O1    1 
HETATM 1444 C C1    . PG4 F 6 .   ? 0.734   -5.910  -7.345  1.00 52.26 ? 102 PG4 B C1    1 
HETATM 1445 C C2    . PG4 F 6 .   ? 0.666   -6.550  -5.993  1.00 55.79 ? 102 PG4 B C2    1 
HETATM 1446 O O2    . PG4 F 6 .   ? 0.675   -7.969  -6.116  1.00 65.43 ? 102 PG4 B O2    1 
HETATM 1447 C C3    . PG4 F 6 .   ? -0.259  -8.594  -5.245  1.00 61.39 ? 102 PG4 B C3    1 
HETATM 1448 C C4    . PG4 F 6 .   ? -0.677  -9.932  -5.767  1.00 66.06 ? 102 PG4 B C4    1 
HETATM 1449 O O3    . PG4 F 6 .   ? -1.496  -9.836  -6.929  1.00 50.59 ? 102 PG4 B O3    1 
HETATM 1450 C C5    . PG4 F 6 .   ? -2.276  -8.650  -6.896  1.00 51.94 ? 102 PG4 B C5    1 
HETATM 1451 C C6    . PG4 F 6 .   ? -2.753  -8.341  -8.280  1.00 56.95 ? 102 PG4 B C6    1 
HETATM 1452 O O4    . PG4 F 6 .   ? -2.540  -6.965  -8.586  1.00 61.73 ? 102 PG4 B O4    1 
HETATM 1453 C C7    . PG4 F 6 .   ? -3.712  -6.484  -9.234  1.00 47.53 ? 102 PG4 B C7    1 
HETATM 1454 C C8    . PG4 F 6 .   ? -3.838  -5.009  -8.995  1.00 47.80 ? 102 PG4 B C8    1 
HETATM 1455 O O5    . PG4 F 6 .   ? -4.813  -4.474  -9.878  1.00 49.29 ? 102 PG4 B O5    1 
HETATM 1456 O O     . HOH G 7 .   ? -15.854 -7.983  10.014  1.00 59.69 ? 201 HOH A O     1 
HETATM 1457 O O     . HOH G 7 .   ? -12.354 1.915   24.131  1.00 64.46 ? 202 HOH A O     1 
HETATM 1458 O O     . HOH G 7 .   ? -13.795 3.244   0.758   1.00 55.86 ? 203 HOH A O     1 
HETATM 1459 O O     . HOH G 7 .   ? -10.855 1.576   35.215  1.00 55.27 ? 204 HOH A O     1 
HETATM 1460 O O     . HOH G 7 .   ? -5.198  7.459   -6.416  1.00 55.53 ? 205 HOH A O     1 
HETATM 1461 O O     . HOH G 7 .   ? -19.903 2.906   11.362  1.00 57.13 ? 206 HOH A O     1 
HETATM 1462 O O     . HOH G 7 .   ? -3.078  8.951   -9.743  1.00 59.81 ? 207 HOH A O     1 
HETATM 1463 O O     . HOH G 7 .   ? -10.377 4.466   -6.020  1.00 43.27 ? 208 HOH A O     1 
HETATM 1464 O O     . HOH H 7 .   ? -2.829  6.959   11.763  1.00 51.67 ? 201 HOH B O     1 
HETATM 1465 O O     . HOH H 7 .   ? -7.300  -9.931  -4.403  1.00 41.00 ? 202 HOH B O     1 
HETATM 1466 O O     . HOH H 7 .   ? -2.579  -2.587  -5.698  1.00 41.64 ? 203 HOH B O     1 
HETATM 1467 O O     . HOH H 7 .   ? -11.157 -4.479  -11.120 1.00 45.32 ? 204 HOH B O     1 
HETATM 1468 O O     . HOH H 7 .   ? -15.002 -3.193  -9.210  1.00 52.05 ? 205 HOH B O     1 
HETATM 1469 O O     . HOH H 7 .   ? 0.096   6.440   3.741   1.00 48.62 ? 206 HOH B O     1 
HETATM 1470 O O     . HOH H 7 .   ? -15.740 0.570   -11.053 1.00 50.84 ? 207 HOH B O     1 
HETATM 1471 O O     . HOH H 7 .   ? -7.625  -0.820  -13.930 1.00 54.20 ? 208 HOH B O     1 
HETATM 1472 O O     . HOH H 7 .   ? -11.199 -3.160  -4.248  1.00 51.41 ? 209 HOH B O     1 
HETATM 1473 O O     . HOH H 7 .   ? -8.707  1.904   12.006  1.00 41.88 ? 210 HOH B O     1 
HETATM 1474 O O     . HOH H 7 .   ? -11.633 -6.766  26.184  1.00 56.12 ? 211 HOH B O     1 
HETATM 1475 O O     . HOH H 7 .   ? -2.877  2.264   0.569   1.00 43.26 ? 212 HOH B O     1 
HETATM 1476 O O     . HOH H 7 .   ? -8.366  -5.156  1.134   1.00 35.47 ? 213 HOH B O     1 
HETATM 1477 O O     . HOH H 7 .   ? -5.707  -1.359  -11.986 1.00 51.28 ? 214 HOH B O     1 
HETATM 1478 O O     . HOH I 7 .   ? 1.135   3.143   8.805   1.00 43.23 ? 301 HOH C O     1 
HETATM 1479 O O     . HOH I 7 .   ? 2.501   -8.576  -2.969  1.00 34.91 ? 302 HOH C O     1 
HETATM 1480 O O     . HOH I 7 .   ? -0.352  -4.229  0.959   1.00 29.51 ? 303 HOH C O     1 
HETATM 1481 O O     . HOH I 7 .   ? 5.730   -15.530 14.507  1.00 45.21 ? 304 HOH C O     1 
HETATM 1482 O O     . HOH I 7 .   ? 6.815   -5.103  0.761   1.00 38.91 ? 305 HOH C O     1 
HETATM 1483 O O     . HOH I 7 .   ? -2.941  -2.344  21.615  1.00 44.89 ? 306 HOH C O     1 
HETATM 1484 O O     . HOH I 7 .   ? 1.699   2.827   1.179   1.00 46.72 ? 307 HOH C O     1 
HETATM 1485 O O     . HOH I 7 .   ? -7.906  -22.898 6.861   1.00 35.56 ? 308 HOH C O     1 
HETATM 1486 O O     . HOH I 7 .   ? -7.979  -3.888  3.440   1.00 37.78 ? 309 HOH C O     1 
HETATM 1487 O O     . HOH I 7 .   ? 4.910   1.664   10.964  1.00 55.36 ? 310 HOH C O     1 
HETATM 1488 O O     . HOH I 7 .   ? -5.164  3.846   14.843  1.00 43.85 ? 311 HOH C O     1 
HETATM 1489 O O     . HOH I 7 .   ? -4.732  -0.368  7.307   1.00 37.55 ? 312 HOH C O     1 
HETATM 1490 O O     . HOH I 7 .   ? -3.916  0.070   17.740  1.00 51.11 ? 313 HOH C O     1 
HETATM 1491 O O     . HOH I 7 .   ? -11.248 -2.004  15.988  1.00 57.27 ? 314 HOH C O     1 
HETATM 1492 O O     . HOH I 7 .   ? 11.623  -11.227 14.298  1.00 47.26 ? 315 HOH C O     1 
HETATM 1493 O O     . HOH I 7 .   ? -5.713  -14.164 -3.220  1.00 50.74 ? 316 HOH C O     1 
HETATM 1494 O O     . HOH I 7 .   ? 4.880   -4.066  -13.109 1.00 48.53 ? 317 HOH C O     1 
HETATM 1495 O O     . HOH I 7 .   ? -9.341  -15.035 -3.206  1.00 37.87 ? 318 HOH C O     1 
HETATM 1496 O O     . HOH I 7 .   ? -1.790  -0.480  -0.534  1.00 47.78 ? 319 HOH C O     1 
HETATM 1497 O O     . HOH I 7 .   ? -11.138 -15.651 23.730  1.00 48.75 ? 320 HOH C O     1 
HETATM 1498 O O     . HOH I 7 .   ? 11.272  -13.836 17.623  1.00 56.06 ? 321 HOH C O     1 
HETATM 1499 O O     . HOH I 7 .   ? -15.303 -19.266 14.542  1.00 47.03 ? 322 HOH C O     1 
HETATM 1500 O O     . HOH I 7 .   ? -8.460  -7.170  0.168   1.00 51.58 ? 323 HOH C O     1 
HETATM 1501 O O     . HOH I 7 .   ? -0.605  -2.551  -1.655  1.00 47.78 ? 324 HOH C O     1 
HETATM 1502 O O     . HOH I 7 .   ? 3.350   12.629  8.927   1.00 63.62 ? 325 HOH C O     1 
# 
loop_
_atom_site_anisotrop.id 
_atom_site_anisotrop.type_symbol 
_atom_site_anisotrop.pdbx_label_atom_id 
_atom_site_anisotrop.pdbx_label_alt_id 
_atom_site_anisotrop.pdbx_label_comp_id 
_atom_site_anisotrop.pdbx_label_asym_id 
_atom_site_anisotrop.pdbx_label_seq_id 
_atom_site_anisotrop.pdbx_PDB_ins_code 
_atom_site_anisotrop.U[1][1] 
_atom_site_anisotrop.U[2][2] 
_atom_site_anisotrop.U[3][3] 
_atom_site_anisotrop.U[1][2] 
_atom_site_anisotrop.U[1][3] 
_atom_site_anisotrop.U[2][3] 
_atom_site_anisotrop.pdbx_auth_seq_id 
_atom_site_anisotrop.pdbx_auth_comp_id 
_atom_site_anisotrop.pdbx_auth_asym_id 
_atom_site_anisotrop.pdbx_auth_atom_id 
1    P P     . DT  A 1   ? 0.6589 1.0982 0.3916 -0.1791 0.1457  -0.2023 2   DT  A P     
2    O OP1   . DT  A 1   ? 0.6929 1.1100 0.4201 -0.2020 0.1704  -0.2186 2   DT  A OP1   
3    O OP2   . DT  A 1   ? 0.6531 1.0726 0.3798 -0.1621 0.1477  -0.1874 2   DT  A OP2   
4    O "O5'" . DT  A 1   ? 0.6438 1.0935 0.3806 -0.1693 0.1339  -0.1978 2   DT  A "O5'" 
5    C "C5'" . DT  A 1   ? 0.6464 1.1199 0.3906 -0.1827 0.1309  -0.2094 2   DT  A "C5'" 
6    C "C4'" . DT  A 1   ? 0.6318 1.1107 0.3787 -0.1698 0.1203  -0.2027 2   DT  A "C4'" 
7    O "O4'" . DT  A 1   ? 0.6122 1.1161 0.3648 -0.1501 0.0953  -0.1890 2   DT  A "O4'" 
8    C "C3'" . DT  A 1   ? 0.6390 1.0776 0.3756 -0.1597 0.1334  -0.1954 2   DT  A "C3'" 
9    O "O3'" . DT  A 1   ? 0.6425 1.0807 0.3805 -0.1633 0.1359  -0.2004 2   DT  A "O3'" 
10   C "C2'" . DT  A 1   ? 0.6144 1.0592 0.3506 -0.1369 0.1140  -0.1774 2   DT  A "C2'" 
11   C "C1'" . DT  A 1   ? 0.6143 1.0981 0.3609 -0.1331 0.0908  -0.1767 2   DT  A "C1'" 
12   N N1    . DT  A 1   ? 0.5782 1.0701 0.3244 -0.1151 0.0709  -0.1616 2   DT  A N1    
13   C C2    . DT  A 1   ? 0.5656 1.0809 0.3178 -0.1042 0.0527  -0.1559 2   DT  A C2    
14   O O2    . DT  A 1   ? 0.5667 1.1032 0.3264 -0.1083 0.0516  -0.1625 2   DT  A O2    
15   N N3    . DT  A 1   ? 0.5562 1.0690 0.3048 -0.0885 0.0377  -0.1418 2   DT  A N3    
16   C C4    . DT  A 1   ? 0.6575 1.1516 0.3986 -0.0845 0.0371  -0.1332 2   DT  A C4    
17   O O4    . DT  A 1   ? 0.7627 1.2530 0.4997 -0.0725 0.0237  -0.1211 2   DT  A O4    
18   C C5    . DT  A 1   ? 0.6419 1.1194 0.3790 -0.0954 0.0555  -0.1390 2   DT  A C5    
19   C C7    . DT  A 1   ? 0.7593 1.2225 0.4896 -0.0909 0.0573  -0.1290 2   DT  A C7    
20   C C6    . DT  A 1   ? 0.5777 1.0519 0.3167 -0.1090 0.0726  -0.1526 2   DT  A C6    
21   P P     . DG  A 2   ? 0.6755 1.0738 0.4041 -0.1771 0.1649  -0.2102 3   DG  A P     
22   O OP1   . DG  A 2   ? 0.8014 1.1936 0.5277 -0.2011 0.1810  -0.2258 3   DG  A OP1   
23   O OP2   . DG  A 2   ? 0.6837 1.0462 0.4029 -0.1603 0.1767  -0.1964 3   DG  A OP2   
24   O "O5'" . DG  A 2   ? 0.6700 1.0866 0.4046 -0.1813 0.1575  -0.2157 3   DG  A "O5'" 
25   C "C5'" . DG  A 2   ? 0.7726 1.2378 0.5203 -0.1899 0.1408  -0.2229 3   DG  A "C5'" 
26   C "C4'" . DG  A 2   ? 0.6308 1.1214 0.3860 -0.1719 0.1194  -0.2130 3   DG  A "C4'" 
27   O "O4'" . DG  A 2   ? 0.6561 1.1528 0.4116 -0.1503 0.1016  -0.1975 3   DG  A "O4'" 
28   C "C3'" . DG  A 2   ? 0.6760 1.1396 0.4247 -0.1645 0.1258  -0.2092 3   DG  A "C3'" 
29   O "O3'" . DG  A 2   ? 0.8668 1.3619 0.6247 -0.1601 0.1112  -0.2089 3   DG  A "O3'" 
30   C "C2'" . DG  A 2   ? 0.6591 1.1029 0.4007 -0.1426 0.1192  -0.1922 3   DG  A "C2'" 
31   C "C1'" . DG  A 2   ? 0.6757 1.1531 0.4252 -0.1331 0.0967  -0.1857 3   DG  A "C1'" 
32   N N9    . DG  A 2   ? 0.5906 1.0557 0.3342 -0.1185 0.0895  -0.1720 3   DG  A N9    
33   C C8    . DG  A 2   ? 0.6559 1.0926 0.3906 -0.1177 0.1035  -0.1676 3   DG  A C8    
34   N N7    . DG  A 2   ? 0.5877 1.0254 0.3196 -0.1046 0.0913  -0.1543 3   DG  A N7    
35   C C5    . DG  A 2   ? 0.5719 1.0332 0.3096 -0.0959 0.0690  -0.1498 3   DG  A C5    
36   C C6    . DG  A 2   ? 0.5596 1.0254 0.2954 -0.0817 0.0504  -0.1363 3   DG  A C6    
37   O O6    . DG  A 2   ? 0.6067 1.0610 0.3364 -0.0759 0.0474  -0.1259 3   DG  A O6    
38   N N1    . DG  A 2   ? 0.5527 1.0375 0.2937 -0.0741 0.0359  -0.1345 3   DG  A N1    
39   C C2    . DG  A 2   ? 0.5539 1.0596 0.3032 -0.0792 0.0376  -0.1440 3   DG  A C2    
40   N N2    . DG  A 2   ? 0.5756 1.1008 0.3284 -0.0672 0.0245  -0.1385 3   DG  A N2    
41   N N3    . DG  A 2   ? 0.5631 1.0694 0.3156 -0.0950 0.0528  -0.1573 3   DG  A N3    
42   C C4    . DG  A 2   ? 0.5732 1.0530 0.3185 -0.1027 0.0684  -0.1598 3   DG  A C4    
43   P P     . DA  A 3   ? 0.7692 1.2523 0.5251 -0.1655 0.1201  -0.2143 4   DA  A P     
44   O OP1   . DA  A 3   ? 0.8650 1.3474 0.6211 -0.1931 0.1380  -0.2320 4   DA  A OP1   
45   O OP2   . DA  A 3   ? 0.7661 1.2095 0.5104 -0.1509 0.1260  -0.2035 4   DA  A OP2   
46   O "O5'" . DA  A 3   ? 0.6953 1.2220 0.4633 -0.1537 0.0984  -0.2094 4   DA  A "O5'" 
47   C "C5'" . DA  A 3   ? 0.6369 1.2079 0.4162 -0.1502 0.0837  -0.2076 4   DA  A "C5'" 
48   C "C4'" . DA  A 3   ? 0.6505 1.2347 0.4318 -0.1237 0.0641  -0.1921 4   DA  A "C4'" 
49   O "O4'" . DA  A 3   ? 0.7137 1.2734 0.4863 -0.1088 0.0574  -0.1795 4   DA  A "O4'" 
50   C "C3'" . DA  A 3   ? 0.6348 1.2047 0.4121 -0.1141 0.0623  -0.1878 4   DA  A "C3'" 
51   O "O3'" . DA  A 3   ? 0.5912 1.1941 0.3757 -0.0988 0.0483  -0.1810 4   DA  A "O3'" 
52   C "C2'" . DA  A 3   ? 0.6587 1.1859 0.4225 -0.1004 0.0608  -0.1758 4   DA  A "C2'" 
53   C "C1'" . DA  A 3   ? 0.5871 1.1196 0.3505 -0.0929 0.0520  -0.1684 4   DA  A "C1'" 
54   N N9    . DA  A 3   ? 0.5957 1.0944 0.3485 -0.0910 0.0569  -0.1624 4   DA  A N9    
55   C C8    . DA  A 3   ? 0.5979 1.0704 0.3446 -0.1027 0.0753  -0.1682 4   DA  A C8    
56   N N7    . DA  A 3   ? 0.6352 1.0869 0.3737 -0.0957 0.0765  -0.1587 4   DA  A N7    
57   C C5    . DA  A 3   ? 0.5907 1.0532 0.3294 -0.0810 0.0565  -0.1470 4   DA  A C5    
58   C C6    . DA  A 3   ? 0.5574 1.0088 0.2893 -0.0703 0.0474  -0.1335 4   DA  A C6    
59   N N6    . DA  A 3   ? 0.5771 1.0110 0.3024 -0.0714 0.0568  -0.1283 4   DA  A N6    
60   N N1    . DA  A 3   ? 0.5500 1.0085 0.2814 -0.0581 0.0301  -0.1244 4   DA  A N1    
61   C C2    . DA  A 3   ? 0.6120 1.0902 0.3494 -0.0538 0.0235  -0.1273 4   DA  A C2    
62   N N3    . DA  A 3   ? 0.6466 1.1445 0.3927 -0.0617 0.0296  -0.1387 4   DA  A N3    
63   C C4    . DA  A 3   ? 0.5575 1.0453 0.3039 -0.0768 0.0456  -0.1488 4   DA  A C4    
64   P P     . DA  A 4   ? 0.7546 1.3470 0.5347 -0.0847 0.0434  -0.1745 5   DA  A P     
65   O OP1   . DA  A 4   ? 0.6539 1.2942 0.4453 -0.0780 0.0360  -0.1742 5   DA  A OP1   
66   O OP2   . DA  A 4   ? 0.6678 1.2285 0.4417 -0.0976 0.0570  -0.1819 5   DA  A OP2   
67   O "O5'" . DA  A 4   ? 0.5631 1.1255 0.3304 -0.0622 0.0320  -0.1575 5   DA  A "O5'" 
68   C "C5'" . DA  A 4   ? 0.5803 1.1558 0.3472 -0.0485 0.0215  -0.1482 5   DA  A "C5'" 
69   C "C4'" . DA  A 4   ? 0.5976 1.1365 0.3489 -0.0320 0.0133  -0.1336 5   DA  A "C4'" 
70   O "O4'" . DA  A 4   ? 0.5846 1.0951 0.3302 -0.0405 0.0178  -0.1332 5   DA  A "O4'" 
71   C "C3'" . DA  A 4   ? 0.5516 1.0690 0.2935 -0.0226 0.0111  -0.1281 5   DA  A "C3'" 
72   O "O3'" . DA  A 4   ? 0.5574 1.0604 0.2859 -0.0038 0.0016  -0.1148 5   DA  A "O3'" 
73   C "C2'" . DA  A 4   ? 0.6337 1.1177 0.3689 -0.0323 0.0173  -0.1286 5   DA  A "C2'" 
74   C "C1'" . DA  A 4   ? 0.6277 1.1057 0.3614 -0.0351 0.0163  -0.1255 5   DA  A "C1'" 
75   N N9    . DA  A 4   ? 0.6720 1.1319 0.4035 -0.0467 0.0266  -0.1284 5   DA  A N9    
76   C C8    . DA  A 4   ? 0.5574 1.0164 0.2928 -0.0612 0.0420  -0.1399 5   DA  A C8    
77   N N7    . DA  A 4   ? 0.5613 1.0003 0.2906 -0.0661 0.0521  -0.1381 5   DA  A N7    
78   C C5    . DA  A 4   ? 0.6196 1.0514 0.3428 -0.0557 0.0403  -0.1249 5   DA  A C5    
79   C C6    . DA  A 4   ? 0.6351 1.0531 0.3514 -0.0544 0.0426  -0.1156 5   DA  A C6    
80   N N6    . DA  A 4   ? 0.5640 0.9638 0.2858 -0.0596 0.0586  -0.1144 5   DA  A N6    
81   N N1    . DA  A 4   ? 0.6473 1.0617 0.3589 -0.0459 0.0281  -0.1037 5   DA  A N1    
82   C C2    . DA  A 4   ? 0.6378 1.0559 0.3489 -0.0379 0.0151  -0.1012 5   DA  A C2    
83   N N3    . DA  A 4   ? 0.6024 1.0339 0.3186 -0.0350 0.0132  -0.1077 5   DA  A N3    
84   C C4    . DA  A 4   ? 0.6025 1.0434 0.3261 -0.0449 0.0250  -0.1196 5   DA  A C4    
85   P P     . DA  A 5   ? 0.6377 1.1314 0.3556 0.0108  -0.0014 -0.1087 6   DA  A P     
86   O OP1   . DA  A 5   ? 0.6184 1.1287 0.3311 0.0294  -0.0062 -0.1009 6   DA  A OP1   
87   O OP2   . DA  A 5   ? 0.6587 1.1643 0.3862 0.0016  0.0048  -0.1183 6   DA  A OP2   
88   O "O5'" . DA  A 5   ? 0.6125 1.0589 0.3111 0.0131  -0.0046 -0.0992 6   DA  A "O5'" 
89   C "C5'" . DA  A 5   ? 0.5837 1.0106 0.2701 0.0176  -0.0095 -0.0904 6   DA  A "C5'" 
90   C "C4'" . DA  A 5   ? 0.6801 1.0770 0.3590 0.0079  -0.0100 -0.0864 6   DA  A "C4'" 
91   O "O4'" . DA  A 5   ? 0.6715 1.0807 0.3655 -0.0062 -0.0040 -0.0940 6   DA  A "O4'" 
92   C "C3'" . DA  A 5   ? 0.6513 1.0253 0.3192 0.0074  -0.0098 -0.0832 6   DA  A "C3'" 
93   O "O3'" . DA  A 5   ? 0.6734 1.0166 0.3185 0.0128  -0.0144 -0.0732 6   DA  A "O3'" 
94   C "C2'" . DA  A 5   ? 0.6665 1.0385 0.3424 -0.0063 -0.0055 -0.0853 6   DA  A "C2'" 
95   C "C1'" . DA  A 5   ? 0.7238 1.1113 0.4109 -0.0121 -0.0032 -0.0888 6   DA  A "C1'" 
96   N N9    . DA  A 5   ? 0.6656 1.0622 0.3632 -0.0236 0.0070  -0.0961 6   DA  A N9    
97   C C8    . DA  A 5   ? 0.6623 1.0742 0.3700 -0.0301 0.0166  -0.1081 6   DA  A C8    
98   N N7    . DA  A 5   ? 0.6810 1.0903 0.3912 -0.0402 0.0288  -0.1125 6   DA  A N7    
99   C C5    . DA  A 5   ? 0.6054 1.0023 0.3088 -0.0383 0.0257  -0.1012 6   DA  A C5    
100  C C6    . DA  A 5   ? 0.5912 0.9738 0.3018 -0.0418 0.0350  -0.0944 6   DA  A C6    
101  N N6    . DA  A 5   ? 0.6121 0.9882 0.3298 -0.0484 0.0525  -0.1004 6   DA  A N6    
102  N N1    . DA  A 5   ? 0.6077 0.9823 0.3156 -0.0380 0.0274  -0.0806 6   DA  A N1    
103  C C2    . DA  A 5   ? 0.6209 0.9962 0.3172 -0.0336 0.0127  -0.0756 6   DA  A C2    
104  N N3    . DA  A 5   ? 0.6447 1.0233 0.3335 -0.0287 0.0050  -0.0801 6   DA  A N3    
105  C C4    . DA  A 5   ? 0.5980 0.9879 0.2943 -0.0299 0.0114  -0.0917 6   DA  A C4    
106  P P     . DA  A 6   ? 0.7137 1.0312 0.3411 0.0137  -0.0142 -0.0695 7   DA  A P     
107  O OP1   . DA  A 6   ? 0.6413 0.9304 0.2405 0.0227  -0.0156 -0.0621 7   DA  A OP1   
108  O OP2   . DA  A 6   ? 0.6261 0.9609 0.2658 0.0145  -0.0101 -0.0769 7   DA  A OP2   
109  O "O5'" . DA  A 6   ? 0.6337 0.9391 0.2613 -0.0007 -0.0155 -0.0652 7   DA  A "O5'" 
110  C "C5'" . DA  A 6   ? 0.7894 1.0797 0.4068 -0.0063 -0.0193 -0.0578 7   DA  A "C5'" 
111  C "C4'" . DA  A 6   ? 0.8799 1.1798 0.5098 -0.0181 -0.0189 -0.0547 7   DA  A "C4'" 
112  O "O4'" . DA  A 6   ? 0.7059 1.0321 0.3569 -0.0184 -0.0133 -0.0622 7   DA  A "O4'" 
113  C "C3'" . DA  A 6   ? 0.9219 1.2156 0.5482 -0.0244 -0.0181 -0.0511 7   DA  A "C3'" 
114  O "O3'" . DA  A 6   ? 0.9083 1.1805 0.5164 -0.0320 -0.0224 -0.0426 7   DA  A "O3'" 
115  C "C2'" . DA  A 6   ? 0.9270 1.2432 0.5713 -0.0296 -0.0132 -0.0501 7   DA  A "C2'" 
116  C "C1'" . DA  A 6   ? 0.8456 1.1783 0.5027 -0.0260 -0.0096 -0.0580 7   DA  A "C1'" 
117  N N9    . DA  A 6   ? 0.7468 1.0950 0.4177 -0.0267 0.0004  -0.0672 7   DA  A N9    
118  C C8    . DA  A 6   ? 0.7231 1.0796 0.3981 -0.0238 0.0041  -0.0785 7   DA  A C8    
119  N N7    . DA  A 6   ? 0.7410 1.1061 0.4285 -0.0289 0.0156  -0.0860 7   DA  A N7    
120  C C5    . DA  A 6   ? 0.6953 1.0522 0.3897 -0.0321 0.0205  -0.0771 7   DA  A C5    
121  C C6    . DA  A 6   ? 0.7512 1.1044 0.4572 -0.0359 0.0356  -0.0775 7   DA  A C6    
122  N N6    . DA  A 6   ? 0.7610 1.1156 0.4721 -0.0409 0.0490  -0.0898 7   DA  A N6    
123  N N1    . DA  A 6   ? 0.7223 1.0698 0.4323 -0.0344 0.0381  -0.0643 7   DA  A N1    
124  C C2    . DA  A 6   ? 0.7334 1.0825 0.4368 -0.0326 0.0251  -0.0531 7   DA  A C2    
125  N N3    . DA  A 6   ? 0.6976 1.0464 0.3878 -0.0323 0.0112  -0.0533 7   DA  A N3    
126  C C4    . DA  A 6   ? 0.7298 1.0806 0.4158 -0.0306 0.0102  -0.0651 7   DA  A C4    
127  P P     . DG  A 7   ? 0.9599 1.2153 0.5533 -0.0370 -0.0222 -0.0404 8   DG  A P     
128  O OP1   . DG  A 7   ? 1.0432 1.2667 0.6075 -0.0407 -0.0238 -0.0379 8   DG  A OP1   
129  O OP2   . DG  A 7   ? 0.9703 1.2339 0.5715 -0.0290 -0.0180 -0.0478 8   DG  A OP2   
130  O "O5'" . DG  A 7   ? 0.9863 1.2580 0.5910 -0.0481 -0.0232 -0.0314 8   DG  A "O5'" 
131  C "C5'" . DG  A 7   ? 0.8849 1.1759 0.5044 -0.0462 -0.0185 -0.0316 8   DG  A "C5'" 
132  C "C4'" . DG  A 7   ? 0.9105 1.2258 0.5442 -0.0494 -0.0166 -0.0221 8   DG  A "C4'" 
133  O "O4'" . DG  A 7   ? 0.9265 1.2523 0.5759 -0.0420 -0.0105 -0.0283 8   DG  A "O4'" 
134  C "C3'" . DG  A 7   ? 0.9064 1.2343 0.5479 -0.0502 -0.0119 -0.0140 8   DG  A "C3'" 
135  O "O3'" . DG  A 7   ? 0.8704 1.2017 0.5039 -0.0605 -0.0178 -0.0024 8   DG  A "O3'" 
136  C "C2'" . DG  A 7   ? 0.8716 1.2137 0.5358 -0.0434 -0.0030 -0.0093 8   DG  A "C2'" 
137  C "C1'" . DG  A 7   ? 0.8630 1.1999 0.5311 -0.0393 -0.0014 -0.0222 8   DG  A "C1'" 
138  N N9    . DG  A 7   ? 0.8263 1.1599 0.5050 -0.0342 0.0086  -0.0340 8   DG  A N9    
139  C C8    . DG  A 7   ? 0.8098 1.1390 0.4835 -0.0324 0.0075  -0.0478 8   DG  A C8    
140  N N7    . DG  A 7   ? 0.8103 1.1424 0.4951 -0.0313 0.0184  -0.0573 8   DG  A N7    
141  C C5    . DG  A 7   ? 0.8425 1.1742 0.5385 -0.0311 0.0290  -0.0491 8   DG  A C5    
142  C C6    . DG  A 7   ? 0.8340 1.1614 0.5402 -0.0311 0.0464  -0.0540 8   DG  A C6    
143  O O6    . DG  A 7   ? 0.8778 1.2041 0.5858 -0.0346 0.0551  -0.0686 8   DG  A O6    
144  N N1    . DG  A 7   ? 0.8996 1.2242 0.6121 -0.0269 0.0558  -0.0396 8   DG  A N1    
145  C C2    . DG  A 7   ? 0.8716 1.2052 0.5834 -0.0240 0.0472  -0.0226 8   DG  A C2    
146  N N2    . DG  A 7   ? 0.9111 1.2463 0.6305 -0.0171 0.0591  -0.0081 8   DG  A N2    
147  N N3    . DG  A 7   ? 0.8415 1.1822 0.5437 -0.0279 0.0300  -0.0197 8   DG  A N3    
148  C C4    . DG  A 7   ? 0.8516 1.1869 0.5452 -0.0310 0.0226  -0.0336 8   DG  A C4    
149  P P     . DG  A 8   ? 0.7755 1.1101 0.4060 -0.0640 -0.0167 0.0035  9   DG  A P     
150  O OP1   . DG  A 8   ? 0.8390 1.1787 0.4650 -0.0768 -0.0231 0.0139  9   DG  A OP1   
151  O OP2   . DG  A 8   ? 0.8284 1.1415 0.4497 -0.0606 -0.0149 -0.0095 9   DG  A OP2   
152  O "O5'" . DG  A 8   ? 0.7284 1.0836 0.3791 -0.0535 -0.0064 0.0119  9   DG  A "O5'" 
153  C "C5'" . DG  A 8   ? 0.7428 1.1209 0.4060 -0.0502 -0.0038 0.0260  9   DG  A "C5'" 
154  C "C4'" . DG  A 8   ? 0.6403 1.0200 0.3232 -0.0360 0.0114  0.0307  9   DG  A "C4'" 
155  O "O4'" . DG  A 8   ? 0.9259 1.2850 0.6146 -0.0313 0.0187  0.0140  9   DG  A "O4'" 
156  C "C3'" . DG  A 8   ? 0.7867 1.1646 0.4703 -0.0324 0.0177  0.0352  9   DG  A "C3'" 
157  O "O3'" . DG  A 8   ? 0.7215 1.1276 0.4062 -0.0317 0.0166  0.0559  9   DG  A "O3'" 
158  C "C2'" . DG  A 8   ? 0.9348 1.2974 0.6323 -0.0203 0.0358  0.0304  9   DG  A "C2'" 
159  C "C1'" . DG  A 8   ? 0.8835 1.2356 0.5832 -0.0222 0.0351  0.0152  9   DG  A "C1'" 
160  N N9    . DG  A 8   ? 0.7726 1.1060 0.4714 -0.0237 0.0399  -0.0044 9   DG  A N9    
161  C C8    . DG  A 8   ? 0.8589 1.1859 0.5477 -0.0296 0.0295  -0.0184 9   DG  A C8    
162  N N7    . DG  A 8   ? 0.8376 1.1561 0.5295 -0.0293 0.0372  -0.0336 9   DG  A N7    
163  C C5    . DG  A 8   ? 0.8043 1.1178 0.5065 -0.0254 0.0548  -0.0309 9   DG  A C5    
164  C C6    . DG  A 8   ? 0.6667 0.9694 0.3730 -0.0270 0.0711  -0.0442 9   DG  A C6    
165  O O6    . DG  A 8   ? 0.7451 1.0479 0.4495 -0.0325 0.0713  -0.0611 9   DG  A O6    
166  N N1    . DG  A 8   ? 0.6753 0.9674 0.3869 -0.0219 0.0902  -0.0358 9   DG  A N1    
167  C C2    . DG  A 8   ? 0.7539 1.0511 0.4689 -0.0128 0.0924  -0.0150 9   DG  A C2    
168  N N2    . DG  A 8   ? 0.7183 1.0011 0.4362 -0.0051 0.1150  -0.0075 9   DG  A N2    
169  N N3    . DG  A 8   ? 0.7751 1.0907 0.4888 -0.0117 0.0752  -0.0020 9   DG  A N3    
170  C C4    . DG  A 8   ? 0.7822 1.1027 0.4884 -0.0198 0.0573  -0.0120 9   DG  A C4    
171  P P     . DG  A 9   ? 0.7754 1.1867 0.4580 -0.0293 0.0205  0.0646  10  DG  A P     
172  O OP1   . DG  A 9   ? 0.8815 1.3326 0.5616 -0.0334 0.0139  0.0855  10  DG  A OP1   
173  O OP2   . DG  A 9   ? 0.8440 1.2302 0.5142 -0.0379 0.0156  0.0468  10  DG  A OP2   
174  O "O5'" . DG  A 9   ? 0.7370 1.1357 0.4346 -0.0109 0.0417  0.0689  10  DG  A "O5'" 
175  C "C5'" . DG  A 9   ? 0.7594 1.1725 0.4690 0.0027  0.0530  0.0853  10  DG  A "C5'" 
176  C "C4'" . DG  A 9   ? 0.8555 1.2550 0.5714 0.0198  0.0755  0.0945  10  DG  A "C4'" 
177  O "O4'" . DG  A 9   ? 0.9156 1.2762 0.6321 0.0196  0.0887  0.0737  10  DG  A "O4'" 
178  C "C3'" . DG  A 9   ? 0.7943 1.1996 0.5047 0.0210  0.0760  0.1029  10  DG  A "C3'" 
179  O "O3'" . DG  A 9   ? 0.8585 1.2726 0.5745 0.0411  0.0944  0.1261  10  DG  A "O3'" 
180  C "C2'" . DG  A 9   ? 0.8630 1.2306 0.5681 0.0142  0.0804  0.0792  10  DG  A "C2'" 
181  C "C1'" . DG  A 9   ? 0.9021 1.2443 0.6128 0.0167  0.0931  0.0648  10  DG  A "C1'" 
182  N N9    . DG  A 9   ? 0.8396 1.1636 0.5461 0.0033  0.0855  0.0384  10  DG  A N9    
183  C C8    . DG  A 9   ? 0.7836 1.1155 0.4834 -0.0089 0.0647  0.0282  10  DG  A C8    
184  N N7    . DG  A 9   ? 0.8564 1.1723 0.5538 -0.0154 0.0638  0.0069  10  DG  A N7    
185  C C5    . DG  A 9   ? 0.7806 1.0786 0.4835 -0.0108 0.0844  0.0006  10  DG  A C5    
186  C C6    . DG  A 9   ? 0.7619 1.0446 0.4646 -0.0170 0.0930  -0.0210 10  DG  A C6    
187  O O6    . DG  A 9   ? 0.7060 0.9920 0.4060 -0.0247 0.0829  -0.0375 10  DG  A O6    
188  N N1    . DG  A 9   ? 0.7899 1.0534 0.4944 -0.0136 0.1175  -0.0220 10  DG  A N1    
189  C C2    . DG  A 9   ? 0.7685 1.0251 0.4744 -0.0013 0.1330  -0.0023 10  DG  A C2    
190  N N2    . DG  A 9   ? 0.7324 0.9619 0.4350 0.0009  0.1600  -0.0066 10  DG  A N2    
191  N N3    . DG  A 9   ? 0.7234 0.9995 0.4317 0.0082  0.1243  0.0204  10  DG  A N3    
192  C C4    . DG  A 9   ? 0.7910 1.0888 0.4979 0.0008  0.0993  0.0195  10  DG  A C4    
193  P P     . DA  A 10  ? 0.9584 1.3827 0.6695 0.0467  0.0981  0.1403  11  DA  A P     
194  O OP1   . DA  A 10  ? 1.1726 1.6228 0.8898 0.0698  0.1130  0.1714  11  DA  A OP1   
195  O OP2   . DA  A 10  ? 0.8012 1.2448 0.5031 0.0262  0.0743  0.1332  11  DA  A OP2   
196  O "O5'" . DA  A 10  ? 0.9696 1.3441 0.6767 0.0486  0.1161  0.1227  11  DA  A "O5'" 
197  C "C5'" . DA  A 10  ? 1.0124 1.3534 0.7222 0.0599  0.1406  0.1187  11  DA  A "C5'" 
198  C "C4'" . DA  A 10  ? 0.9433 1.2422 0.6459 0.0546  0.1550  0.0992  11  DA  A "C4'" 
199  O "O4'" . DA  A 10  ? 0.9533 1.2397 0.6551 0.0352  0.1423  0.0698  11  DA  A "O4'" 
200  C "C3'" . DA  A 10  ? 0.9453 1.2474 0.6414 0.0539  0.1525  0.1043  11  DA  A "C3'" 
201  O "O3'" . DA  A 10  ? 0.9969 1.2619 0.6865 0.0617  0.1793  0.1022  11  DA  A "O3'" 
202  C "C2'" . DA  A 10  ? 0.9427 1.2444 0.6354 0.0321  0.1304  0.0797  11  DA  A "C2'" 
203  C "C1'" . DA  A 10  ? 0.8887 1.1664 0.5840 0.0251  0.1365  0.0572  11  DA  A "C1'" 
204  N N9    . DA  A 10  ? 0.8934 1.1767 0.5877 0.0087  0.1154  0.0364  11  DA  A N9    
205  C C8    . DA  A 10  ? 0.8286 1.1360 0.5205 0.0010  0.0916  0.0387  11  DA  A C8    
206  N N7    . DA  A 10  ? 0.8537 1.1553 0.5421 -0.0103 0.0798  0.0185  11  DA  A N7    
207  C C5    . DA  A 10  ? 0.8226 1.1022 0.5136 -0.0112 0.0950  0.0017  11  DA  A C5    
208  C C6    . DA  A 10  ? 0.7258 0.9978 0.4160 -0.0202 0.0927  -0.0217 11  DA  A C6    
209  N N6    . DA  A 10  ? 0.6911 0.9725 0.3771 -0.0263 0.0746  -0.0309 11  DA  A N6    
210  N N1    . DA  A 10  ? 0.7183 0.9734 0.4101 -0.0226 0.1116  -0.0348 11  DA  A N1    
211  C C2    . DA  A 10  ? 0.8061 1.0443 0.4978 -0.0157 0.1333  -0.0252 11  DA  A C2    
212  N N3    . DA  A 10  ? 0.8588 1.0988 0.5509 -0.0031 0.1389  -0.0015 11  DA  A N3    
213  C C4    . DA  A 10  ? 0.8261 1.0915 0.5194 -0.0016 0.1175  0.0112  11  DA  A C4    
214  P P     . DA  A 11  ? 0.9760 1.2438 0.6602 0.0809  0.1954  0.1289  12  DA  A P     
215  O OP1   . DA  A 11  ? 0.8939 1.1720 0.5818 0.1047  0.2119  0.1562  12  DA  A OP1   
216  O OP2   . DA  A 11  ? 0.7382 1.0377 0.4212 0.0720  0.1722  0.1330  12  DA  A OP2   
217  O "O5'" . DA  A 11  ? 0.9725 1.1871 0.6454 0.0787  0.2224  0.1128  12  DA  A "O5'" 
218  C "C5'" . DA  A 11  ? 0.8388 1.0153 0.5079 0.0760  0.2438  0.0970  12  DA  A "C5'" 
219  C "C4'" . DA  A 11  ? 0.8451 0.9945 0.5079 0.0535  0.2453  0.0642  12  DA  A "C4'" 
220  O "O4'" . DA  A 11  ? 0.9153 1.0919 0.5871 0.0358  0.2141  0.0462  12  DA  A "O4'" 
221  C "C3'" . DA  A 11  ? 0.9161 1.0526 0.5698 0.0512  0.2512  0.0630  12  DA  A "C3'" 
222  O "O3'" . DA  A 11  ? 0.9837 1.0745 0.6243 0.0427  0.2794  0.0447  12  DA  A "O3'" 
223  C "C2'" . DA  A 11  ? 0.8465 1.0114 0.5064 0.0336  0.2186  0.0474  12  DA  A "C2'" 
224  C "C1'" . DA  A 11  ? 0.8597 1.0333 0.5273 0.0218  0.2057  0.0294  12  DA  A "C1'" 
225  N N9    . DA  A 11  ? 0.8873 1.0937 0.5614 0.0125  0.1733  0.0241  12  DA  A N9    
226  C C8    . DA  A 11  ? 0.8518 1.0899 0.5289 0.0174  0.1536  0.0425  12  DA  A C8    
227  N N7    . DA  A 11  ? 0.8443 1.0997 0.5221 0.0051  0.1294  0.0312  12  DA  A N7    
228  C C5    . DA  A 11  ? 0.7809 1.0190 0.4583 -0.0056 0.1326  0.0054  12  DA  A C5    
229  C C6    . DA  A 11  ? 0.7262 0.9711 0.4032 -0.0175 0.1160  -0.0143 12  DA  A C6    
230  N N6    . DA  A 11  ? 0.6988 0.9615 0.3727 -0.0214 0.0939  -0.0119 12  DA  A N6    
231  N N1    . DA  A 11  ? 0.6846 0.9177 0.3622 -0.0255 0.1247  -0.0361 12  DA  A N1    
232  C C2    . DA  A 11  ? 0.7636 0.9751 0.4400 -0.0253 0.1492  -0.0403 12  DA  A C2    
233  N N3    . DA  A 11  ? 0.8603 1.0547 0.5340 -0.0148 0.1689  -0.0240 12  DA  A N3    
234  C C4    . DA  A 11  ? 0.8012 1.0120 0.4767 -0.0033 0.1587  -0.0001 12  DA  A C4    
235  P P     . DT  A 12  ? 1.0743 1.1427 0.7025 0.0369  0.2912  0.0381  13  DT  A P     
236  O OP1   . DT  A 12  ? 1.0868 1.1019 0.6970 0.0369  0.3315  0.0317  13  DT  A OP1   
237  O OP2   . DT  A 12  ? 1.0722 1.1665 0.7030 0.0517  0.2788  0.0637  13  DT  A OP2   
238  O "O5'" . DT  A 12  ? 1.0438 1.1269 0.6771 0.0108  0.2688  0.0066  13  DT  A "O5'" 
239  C "C5'" . DT  A 12  ? 0.8703 0.9468 0.5045 -0.0066 0.2714  -0.0195 13  DT  A "C5'" 
240  C "C4'" . DT  A 12  ? 0.9809 1.0793 0.6200 -0.0260 0.2497  -0.0437 13  DT  A "C4'" 
241  O "O4'" . DT  A 12  ? 0.9090 1.0456 0.5609 -0.0228 0.2164  -0.0377 13  DT  A "O4'" 
242  C "C3'" . DT  A 12  ? 0.9096 1.0012 0.5414 -0.0316 0.2522  -0.0486 13  DT  A "C3'" 
243  O "O3'" . DT  A 12  ? 1.0961 1.1796 0.7224 -0.0526 0.2616  -0.0772 13  DT  A "O3'" 
244  C "C2'" . DT  A 12  ? 0.8889 1.0166 0.5302 -0.0291 0.2187  -0.0425 13  DT  A "C2'" 
245  C "C1'" . DT  A 12  ? 0.7455 0.8969 0.3976 -0.0310 0.1998  -0.0473 13  DT  A "C1'" 
246  N N1    . DT  A 12  ? 0.7585 0.9390 0.4169 -0.0249 0.1717  -0.0341 13  DT  A N1    
247  C C2    . DT  A 12  ? 0.7335 0.9341 0.3955 -0.0334 0.1501  -0.0481 13  DT  A C2    
248  O O2    . DT  A 12  ? 0.7373 0.9395 0.4003 -0.0439 0.1513  -0.0694 13  DT  A O2    
249  N N3    . DT  A 12  ? 0.7437 0.9641 0.4065 -0.0295 0.1282  -0.0358 13  DT  A N3    
250  C C4    . DT  A 12  ? 0.7449 0.9741 0.4065 -0.0204 0.1243  -0.0118 13  DT  A C4    
251  O O4    . DT  A 12  ? 0.7298 0.9780 0.3892 -0.0218 0.1051  -0.0041 13  DT  A O4    
252  C C5    . DT  A 12  ? 0.8720 1.0872 0.5327 -0.0093 0.1460  0.0038  13  DT  A C5    
253  C C7    . DT  A 12  ? 0.8154 1.0479 0.4757 0.0033  0.1439  0.0326  13  DT  A C7    
254  C C6    . DT  A 12  ? 0.9033 1.0911 0.5615 -0.0111 0.1694  -0.0077 13  DT  A C6    
255  P P     . DT  A 13  ? 1.1078 1.1690 0.7206 -0.0624 0.2795  -0.0870 14  DT  A P     
256  O OP1   . DT  A 13  ? 1.1672 1.2038 0.7678 -0.0821 0.3068  -0.1105 14  DT  A OP1   
257  O OP2   . DT  A 13  ? 1.0480 1.0911 0.6540 -0.0440 0.2888  -0.0610 14  DT  A OP2   
258  O "O5'" . DT  A 13  ? 1.0542 1.1524 0.6764 -0.0714 0.2506  -0.1001 14  DT  A "O5'" 
259  C "C5'" . DT  A 13  ? 0.9490 1.0778 0.5810 -0.0823 0.2335  -0.1186 14  DT  A "C5'" 
260  C "C4'" . DT  A 13  ? 0.9857 1.1443 0.6235 -0.0846 0.2095  -0.1253 14  DT  A "C4'" 
261  O "O4'" . DT  A 13  ? 0.9327 1.1098 0.5783 -0.0710 0.1839  -0.1091 14  DT  A "O4'" 
262  C "C3'" . DT  A 13  ? 0.8483 0.9956 0.4782 -0.0857 0.2150  -0.1236 14  DT  A "C3'" 
263  O "O3'" . DT  A 13  ? 1.0209 1.1930 0.6534 -0.0956 0.2035  -0.1412 14  DT  A "O3'" 
264  C "C2'" . DT  A 13  ? 0.9158 1.0669 0.5481 -0.0687 0.1983  -0.0984 14  DT  A "C2'" 
265  C "C1'" . DT  A 13  ? 0.7620 0.9407 0.4041 -0.0659 0.1742  -0.0996 14  DT  A "C1'" 
266  N N1    . DT  A 13  ? 0.7837 0.9696 0.4281 -0.0528 0.1584  -0.0766 14  DT  A N1    
267  C C2    . DT  A 13  ? 0.6998 0.9069 0.3468 -0.0518 0.1347  -0.0769 14  DT  A C2    
268  O O2    . DT  A 13  ? 0.7002 0.9203 0.3490 -0.0574 0.1263  -0.0933 14  DT  A O2    
269  N N3    . DT  A 13  ? 0.6860 0.8998 0.3322 -0.0439 0.1227  -0.0568 14  DT  A N3    
270  C C4    . DT  A 13  ? 0.6973 0.9061 0.3425 -0.0350 0.1306  -0.0351 14  DT  A C4    
271  O O4    . DT  A 13  ? 0.6914 0.9150 0.3362 -0.0302 0.1183  -0.0181 14  DT  A O4    
272  C C5    . DT  A 13  ? 0.7199 0.9059 0.3629 -0.0321 0.1559  -0.0336 14  DT  A C5    
273  C C7    . DT  A 13  ? 0.8272 1.0068 0.4679 -0.0180 0.1686  -0.0079 14  DT  A C7    
274  C C6    . DT  A 13  ? 0.7653 0.9376 0.4067 -0.0422 0.1691  -0.0550 14  DT  A C6    
275  P P     . DG  A 14  ? 0.9944 1.1610 0.6184 -0.1134 0.2221  -0.1616 15  DG  A P     
276  O OP1   . DG  A 14  ? 1.0208 1.1756 0.6481 -0.1261 0.2384  -0.1741 15  DG  A OP1   
277  O OP2   . DG  A 14  ? 0.9944 1.1355 0.6088 -0.1086 0.2315  -0.1499 15  DG  A OP2   
278  O "O5'" . DG  A 14  ? 0.8634 1.0681 0.4999 -0.1153 0.1987  -0.1731 15  DG  A "O5'" 
279  C "C5'" . DG  A 14  ? 0.7198 0.9535 0.3684 -0.1117 0.1811  -0.1766 15  DG  A "C5'" 
280  C "C4'" . DG  A 14  ? 0.7305 0.9890 0.3832 -0.1022 0.1587  -0.1747 15  DG  A "C4'" 
281  O "O4'" . DG  A 14  ? 0.8435 1.0956 0.4884 -0.0891 0.1465  -0.1578 15  DG  A "O4'" 
282  C "C3'" . DG  A 14  ? 0.7619 1.0199 0.4131 -0.1050 0.1596  -0.1788 15  DG  A "C3'" 
283  O "O3'" . DG  A 14  ? 0.7445 1.0298 0.4044 -0.0984 0.1427  -0.1821 15  DG  A "O3'" 
284  C "C2'" . DG  A 14  ? 0.7761 1.0131 0.4106 -0.0979 0.1607  -0.1638 15  DG  A "C2'" 
285  C "C1'" . DG  A 14  ? 0.8038 1.0445 0.4417 -0.0854 0.1433  -0.1498 15  DG  A "C1'" 
286  N N9    . DG  A 14  ? 0.8468 1.0647 0.4811 -0.0775 0.1430  -0.1284 15  DG  A N9    
287  C C8    . DG  A 14  ? 0.8644 1.0582 0.4951 -0.0779 0.1609  -0.1195 15  DG  A C8    
288  N N7    . DG  A 14  ? 0.8196 1.0056 0.4487 -0.0676 0.1557  -0.0979 15  DG  A N7    
289  C C5    . DG  A 14  ? 0.7688 0.9724 0.3992 -0.0635 0.1332  -0.0943 15  DG  A C5    
290  C C6    . DG  A 14  ? 0.7325 0.9405 0.3604 -0.0565 0.1191  -0.0755 15  DG  A C6    
291  O O6    . DG  A 14  ? 0.7022 0.9060 0.3288 -0.0507 0.1224  -0.0564 15  DG  A O6    
292  N N1    . DG  A 14  ? 0.6822 0.9025 0.3073 -0.0569 0.1010  -0.0799 15  DG  A N1    
293  C C2    . DG  A 14  ? 0.7280 0.9572 0.3539 -0.0592 0.0971  -0.0977 15  DG  A C2    
294  N N2    . DG  A 14  ? 0.7092 0.9442 0.3285 -0.0562 0.0822  -0.0976 15  DG  A N2    
295  N N3    . DG  A 14  ? 0.7158 0.9492 0.3468 -0.0642 0.1085  -0.1139 15  DG  A N3    
296  C C4    . DG  A 14  ? 0.7980 1.0175 0.4306 -0.0681 0.1261  -0.1123 15  DG  A C4    
297  P P     . DG  A 15  ? 0.8536 1.1525 0.5190 -0.1026 0.1429  -0.1910 16  DG  A P     
298  O OP1   . DG  A 15  ? 0.9134 1.2502 0.5943 -0.0999 0.1328  -0.1982 16  DG  A OP1   
299  O OP2   . DG  A 15  ? 0.9173 1.1961 0.5792 -0.1175 0.1622  -0.1973 16  DG  A OP2   
300  O "O5'" . DG  A 15  ? 0.9014 1.1897 0.5540 -0.0905 0.1329  -0.1803 16  DG  A "O5'" 
301  C "C5'" . DG  A 15  ? 0.8362 1.1296 0.4846 -0.0766 0.1171  -0.1716 16  DG  A "C5'" 
302  C "C4'" . DG  A 15  ? 0.7984 1.0694 0.4288 -0.0721 0.1128  -0.1594 16  DG  A "C4'" 
303  O "O4'" . DG  A 15  ? 0.8465 1.1001 0.4701 -0.0766 0.1204  -0.1506 16  DG  A "O4'" 
304  C "C3'" . DG  A 15  ? 0.7942 1.0567 0.4182 -0.0750 0.1170  -0.1610 16  DG  A "C3'" 
305  O "O3'" . DG  A 15  ? 0.8809 1.1477 0.5000 -0.0651 0.1063  -0.1598 16  DG  A "O3'" 
306  C "C2'" . DG  A 15  ? 0.7861 1.0254 0.3953 -0.0784 0.1216  -0.1486 16  DG  A "C2'" 
307  C "C1'" . DG  A 15  ? 0.8017 1.0364 0.4156 -0.0745 0.1172  -0.1379 16  DG  A "C1'" 
308  N N9    . DG  A 15  ? 0.8137 1.0294 0.4277 -0.0764 0.1273  -0.1257 16  DG  A N9    
309  C C8    . DG  A 15  ? 0.8246 1.0290 0.4403 -0.0832 0.1467  -0.1304 16  DG  A C8    
310  N N7    . DG  A 15  ? 0.8552 1.0412 0.4686 -0.0791 0.1544  -0.1139 16  DG  A N7    
311  C C5    . DG  A 15  ? 0.7580 0.9498 0.3701 -0.0709 0.1371  -0.0980 16  DG  A C5    
312  C C6    . DG  A 15  ? 0.7949 0.9815 0.4051 -0.0636 0.1354  -0.0756 16  DG  A C6    
313  O O6    . DG  A 15  ? 0.8561 1.0299 0.4658 -0.0590 0.1501  -0.0633 16  DG  A O6    
314  N N1    . DG  A 15  ? 0.7410 0.9402 0.3479 -0.0614 0.1159  -0.0670 16  DG  A N1    
315  C C2    . DG  A 15  ? 0.7612 0.9684 0.3643 -0.0641 0.1022  -0.0781 16  DG  A C2    
316  N N2    . DG  A 15  ? 0.6988 0.9112 0.2941 -0.0638 0.0874  -0.0685 16  DG  A N2    
317  N N3    . DG  A 15  ? 0.7399 0.9507 0.3450 -0.0667 0.1045  -0.0969 16  DG  A N3    
318  C C4    . DG  A 15  ? 0.7443 0.9507 0.3551 -0.0708 0.1211  -0.1060 16  DG  A C4    
319  P P     . DC  B 1   ? 0.7517 1.1202 0.7154 -0.0321 0.0641  0.2999  2   DC  B P     
320  O OP1   . DC  B 1   ? 0.7629 1.1913 0.7524 -0.0372 0.0393  0.3103  2   DC  B OP1   
321  O OP2   . DC  B 1   ? 0.6426 0.9934 0.6024 -0.0129 0.0874  0.3131  2   DC  B OP2   
322  O "O5'" . DC  B 1   ? 0.6047 0.9615 0.5521 -0.0423 0.0565  0.2710  2   DC  B "O5'" 
323  C "C5'" . DC  B 1   ? 0.4310 0.7883 0.3739 -0.0586 0.0422  0.2546  2   DC  B "C5'" 
324  C "C4'" . DC  B 1   ? 0.4876 0.8295 0.4122 -0.0624 0.0428  0.2293  2   DC  B "C4'" 
325  O "O4'" . DC  B 1   ? 0.5271 0.8433 0.4416 -0.0682 0.0676  0.2232  2   DC  B "O4'" 
326  C "C3'" . DC  B 1   ? 0.5840 0.9371 0.5059 -0.0514 0.0417  0.2258  2   DC  B "C3'" 
327  O "O3'" . DC  B 1   ? 0.5818 0.9462 0.4966 -0.0568 0.0261  0.2065  2   DC  B "O3'" 
328  C "C2'" . DC  B 1   ? 0.6205 0.9638 0.5363 -0.0485 0.0693  0.2287  2   DC  B "C2'" 
329  C "C1'" . DC  B 1   ? 0.5923 0.9249 0.5035 -0.0653 0.0773  0.2164  2   DC  B "C1'" 
330  N N1    . DC  B 1   ? 0.5184 0.8351 0.4327 -0.0731 0.1144  0.2165  2   DC  B N1    
331  C C2    . DC  B 1   ? 0.5830 0.9141 0.4992 -0.0920 0.1263  0.1917  2   DC  B C2    
332  O O2    . DC  B 1   ? 0.5551 0.9135 0.4646 -0.0971 0.1013  0.1751  2   DC  B O2    
333  N N3    . DC  B 1   ? 0.5214 0.8378 0.4495 -0.1059 0.1665  0.1829  2   DC  B N3    
334  C C4    . DC  B 1   ? 0.5532 0.8320 0.4829 -0.0980 0.1952  0.2029  2   DC  B C4    
335  N N4    . DC  B 1   ? 0.6259 0.8816 0.5655 -0.1149 0.2395  0.1910  2   DC  B N4    
336  C C5    . DC  B 1   ? 0.6624 0.9300 0.5851 -0.0736 0.1796  0.2328  2   DC  B C5    
337  C C6    . DC  B 1   ? 0.6041 0.8964 0.5228 -0.0636 0.1393  0.2363  2   DC  B C6    
338  P P     . DC  B 2   ? 0.5693 0.9633 0.4916 -0.0534 0.0117  0.2058  3   DC  B P     
339  O OP1   . DC  B 2   ? 0.3923 0.8180 0.3367 -0.0622 0.0004  0.2211  3   DC  B OP1   
340  O OP2   . DC  B 2   ? 0.6812 1.0692 0.5969 -0.0392 0.0234  0.2080  3   DC  B OP2   
341  O "O5'" . DC  B 2   ? 0.4750 0.8617 0.3805 -0.0592 0.0026  0.1812  3   DC  B "O5'" 
342  C "C5'" . DC  B 2   ? 0.4035 0.7852 0.3066 -0.0704 -0.0038 0.1746  3   DC  B "C5'" 
343  C "C4'" . DC  B 2   ? 0.4787 0.8452 0.3623 -0.0679 -0.0006 0.1525  3   DC  B "C4'" 
344  O "O4'" . DC  B 2   ? 0.4440 0.8209 0.3286 -0.0688 0.0138  0.1550  3   DC  B "O4'" 
345  C "C3'" . DC  B 2   ? 0.4199 0.7871 0.2874 -0.0585 -0.0058 0.1339  3   DC  B "C3'" 
346  O "O3'" . DC  B 2   ? 0.3604 0.7231 0.2148 -0.0577 -0.0101 0.1165  3   DC  B "O3'" 
347  C "C2'" . DC  B 2   ? 0.4541 0.8449 0.3216 -0.0536 0.0035  0.1308  3   DC  B "C2'" 
348  C "C1'" . DC  B 2   ? 0.4575 0.8641 0.3334 -0.0655 0.0160  0.1381  3   DC  B "C1'" 
349  N N1    . DC  B 2   ? 0.3990 0.8187 0.2789 -0.0669 0.0388  0.1467  3   DC  B N1    
350  C C2    . DC  B 2   ? 0.4827 0.9297 0.3627 -0.0797 0.0593  0.1258  3   DC  B C2    
351  O O2    . DC  B 2   ? 0.5862 1.0600 0.4620 -0.0876 0.0507  0.1001  3   DC  B O2    
352  N N3    . DC  B 2   ? 0.4464 0.8875 0.3380 -0.0840 0.0931  0.1286  3   DC  B N3    
353  C C4    . DC  B 2   ? 0.4386 0.8513 0.3337 -0.0700 0.1019  0.1575  3   DC  B C4    
354  N N4    . DC  B 2   ? 0.5003 0.8993 0.4071 -0.0715 0.1403  0.1598  3   DC  B N4    
355  C C5    . DC  B 2   ? 0.4235 0.8219 0.3156 -0.0553 0.0750  0.1790  3   DC  B C5    
356  C C6    . DC  B 2   ? 0.4445 0.8461 0.3320 -0.0573 0.0464  0.1697  3   DC  B C6    
357  P P     . DA  B 3   ? 0.4907 0.8450 0.3248 -0.0473 -0.0188 0.1033  4   DA  B P     
358  O OP1   . DA  B 3   ? 0.4725 0.8182 0.2949 -0.0469 -0.0216 0.0955  4   DA  B OP1   
359  O OP2   . DA  B 3   ? 0.3842 0.7323 0.2159 -0.0488 -0.0217 0.1147  4   DA  B OP2   
360  O "O5'" . DA  B 3   ? 0.4381 0.8032 0.2653 -0.0345 -0.0189 0.0822  4   DA  B "O5'" 
361  C "C5'" . DA  B 3   ? 0.3708 0.7766 0.2049 -0.0360 -0.0165 0.0644  4   DA  B "C5'" 
362  C "C4'" . DA  B 3   ? 0.4759 0.9274 0.3151 -0.0319 -0.0143 0.0461  4   DA  B "C4'" 
363  O "O4'" . DA  B 3   ? 0.3718 0.8447 0.2204 -0.0438 -0.0013 0.0611  4   DA  B "O4'" 
364  C "C3'" . DA  B 3   ? 0.4132 0.8367 0.2373 -0.0159 -0.0223 0.0396  4   DA  B "C3'" 
365  O "O3'" . DA  B 3   ? 0.3908 0.8490 0.2165 -0.0053 -0.0271 0.0085  4   DA  B "O3'" 
366  C "C2'" . DA  B 3   ? 0.3805 0.8127 0.2106 -0.0203 -0.0145 0.0553  4   DA  B "C2'" 
367  C "C1'" . DA  B 3   ? 0.3834 0.8637 0.2267 -0.0348 -0.0005 0.0546  4   DA  B "C1'" 
368  N N9    . DA  B 3   ? 0.4146 0.8914 0.2619 -0.0391 0.0144  0.0801  4   DA  B N9    
369  C C8    . DA  B 3   ? 0.4332 0.8765 0.2849 -0.0338 0.0120  0.1078  4   DA  B C8    
370  N N7    . DA  B 3   ? 0.3919 0.8382 0.2507 -0.0333 0.0294  0.1283  4   DA  B N7    
371  C C5    . DA  B 3   ? 0.4648 0.9360 0.3220 -0.0422 0.0522  0.1129  4   DA  B C5    
372  C C6    . DA  B 3   ? 0.5127 0.9798 0.3811 -0.0465 0.0899  0.1196  4   DA  B C6    
373  N N6    . DA  B 3   ? 0.4482 0.8883 0.3250 -0.0346 0.1036  0.1521  4   DA  B N6    
374  N N1    . DA  B 3   ? 0.5218 1.0081 0.4015 -0.0637 0.1154  0.0851  4   DA  B N1    
375  C C2    . DA  B 3   ? 0.4629 0.9778 0.3400 -0.0721 0.0965  0.0463  4   DA  B C2    
376  N N3    . DA  B 3   ? 0.4523 0.9841 0.3083 -0.0631 0.0604  0.0437  4   DA  B N3    
377  C C4    . DA  B 3   ? 0.4021 0.9001 0.2528 -0.0487 0.0414  0.0787  4   DA  B C4    
378  P P     . DA  B 4   ? 0.4381 0.8617 0.2441 0.0128  -0.0376 -0.0008 5   DA  B P     
379  O OP1   . DA  B 4   ? 0.4348 0.9028 0.2508 0.0238  -0.0421 -0.0321 5   DA  B OP1   
380  O OP2   . DA  B 4   ? 0.4563 0.8359 0.2423 0.0155  -0.0414 0.0192  5   DA  B OP2   
381  O "O5'" . DA  B 4   ? 0.4290 0.8587 0.2357 0.0112  -0.0333 0.0039  5   DA  B "O5'" 
382  C "C5'" . DA  B 4   ? 0.4215 0.8966 0.2368 0.0157  -0.0325 -0.0224 5   DA  B "C5'" 
383  C "C4'" . DA  B 4   ? 0.4061 0.9426 0.2409 0.0002  -0.0204 -0.0398 5   DA  B "C4'" 
384  O "O4'" . DA  B 4   ? 0.4524 0.9795 0.2848 -0.0121 -0.0079 -0.0096 5   DA  B "O4'" 
385  C "C3'" . DA  B 4   ? 0.4662 1.0430 0.3070 -0.0026 -0.0143 -0.0740 5   DA  B "C3'" 
386  O "O3'" . DA  B 4   ? 0.4449 1.0706 0.3068 -0.0137 -0.0107 -0.1133 5   DA  B "O3'" 
387  C "C2'" . DA  B 4   ? 0.4460 1.0221 0.2775 -0.0145 0.0067  -0.0590 5   DA  B "C2'" 
388  C "C1'" . DA  B 4   ? 0.4252 0.9848 0.2579 -0.0232 0.0123  -0.0240 5   DA  B "C1'" 
389  N N9    . DA  B 4   ? 0.4600 0.9940 0.2867 -0.0222 0.0261  0.0158  5   DA  B N9    
390  C C8    . DA  B 4   ? 0.4056 0.9014 0.2310 -0.0125 0.0132  0.0489  5   DA  B C8    
391  N N7    . DA  B 4   ? 0.4391 0.9250 0.2681 -0.0114 0.0281  0.0785  5   DA  B N7    
392  C C5    . DA  B 4   ? 0.4308 0.9369 0.2625 -0.0190 0.0599  0.0691  5   DA  B C5    
393  C C6    . DA  B 4   ? 0.4522 0.9448 0.2963 -0.0173 0.0955  0.0916  5   DA  B C6    
394  N N6    . DA  B 4   ? 0.4545 0.9238 0.3040 -0.0039 0.0942  0.1303  5   DA  B N6    
395  N N1    . DA  B 4   ? 0.4789 0.9567 0.3465 -0.0286 0.1267  0.0642  5   DA  B N1    
396  C C2    . DA  B 4   ? 0.5056 0.9981 0.3816 -0.0443 0.1203  0.0161  5   DA  B C2    
397  N N3    . DA  B 4   ? 0.4739 1.0047 0.3338 -0.0450 0.0889  -0.0063 5   DA  B N3    
398  C C4    . DA  B 4   ? 0.4432 0.9792 0.2747 -0.0300 0.0615  0.0253  5   DA  B C4    
399  P P     . DT  B 5   ? 0.4389 1.1017 0.3151 -0.0164 -0.0090 -0.1591 6   DT  B P     
400  O OP1   . DT  B 5   ? 0.4392 1.1520 0.3453 -0.0242 -0.0106 -0.1942 6   DT  B OP1   
401  O OP2   . DT  B 5   ? 0.4445 1.0761 0.3044 0.0062  -0.0220 -0.1448 6   DT  B OP2   
402  O "O5'" . DT  B 5   ? 0.4735 1.1380 0.3440 -0.0410 0.0210  -0.1760 6   DT  B "O5'" 
403  C "C5'" . DT  B 5   ? 0.4652 1.1350 0.3449 -0.0672 0.0503  -0.1855 6   DT  B "C5'" 
404  C "C4'" . DT  B 5   ? 0.5001 1.1296 0.3994 -0.0850 0.0880  -0.1961 6   DT  B "C4'" 
405  O "O4'" . DT  B 5   ? 0.5021 1.0785 0.3923 -0.0720 0.1012  -0.1445 6   DT  B "O4'" 
406  C "C3'" . DT  B 5   ? 0.5231 1.1673 0.4176 -0.0861 0.0899  -0.2358 6   DT  B "C3'" 
407  O "O3'" . DT  B 5   ? 0.5635 1.1862 0.4824 -0.1175 0.1267  -0.2692 6   DT  B "O3'" 
408  C "C2'" . DT  B 5   ? 0.5245 1.1289 0.3962 -0.0628 0.0909  -0.1972 6   DT  B "C2'" 
409  C "C1'" . DT  B 5   ? 0.5444 1.0996 0.4275 -0.0645 0.1139  -0.1504 6   DT  B "C1'" 
410  N N1    . DT  B 5   ? 0.5661 1.0995 0.4287 -0.0403 0.1077  -0.0973 6   DT  B N1    
411  C C2    . DT  B 5   ? 0.5574 1.0436 0.4297 -0.0363 0.1396  -0.0671 6   DT  B C2    
412  O O2    . DT  B 5   ? 0.5743 1.0240 0.4658 -0.0507 0.1746  -0.0817 6   DT  B O2    
413  N N3    . DT  B 5   ? 0.5204 1.0037 0.3755 -0.0147 0.1308  -0.0189 6   DT  B N3    
414  C C4    . DT  B 5   ? 0.4946 1.0092 0.3197 -0.0024 0.0959  -0.0001 6   DT  B C4    
415  O O4    . DT  B 5   ? 0.5629 1.0771 0.3728 0.0111  0.0920  0.0415  6   DT  B O4    
416  C C5    . DT  B 5   ? 0.5077 1.0566 0.3170 -0.0065 0.0660  -0.0332 6   DT  B C5    
417  C C7    . DT  B 5   ? 0.4492 0.9825 0.2496 0.0065  0.0267  -0.0147 6   DT  B C7    
418  C C6    . DT  B 5   ? 0.4858 1.0467 0.3167 -0.0225 0.0722  -0.0788 6   DT  B C6    
419  P P     . DT  B 6   ? 0.5976 1.2415 0.5167 -0.1341 0.1358  -0.3251 7   DT  B P     
420  O OP1   . DT  B 6   ? 0.6274 1.2806 0.5716 -0.1752 0.1618  -0.3676 7   DT  B OP1   
421  O OP2   . DT  B 6   ? 0.6308 1.3199 0.5396 -0.1096 0.0919  -0.3291 7   DT  B OP2   
422  O "O5'" . DT  B 6   ? 0.6366 1.2037 0.5464 -0.1298 0.1698  -0.3053 7   DT  B "O5'" 
423  C "C5'" . DT  B 6   ? 0.6963 1.1930 0.6154 -0.1370 0.2077  -0.2758 7   DT  B "C5'" 
424  C "C4'" . DT  B 6   ? 0.6952 1.1305 0.5997 -0.1176 0.2320  -0.2480 7   DT  B "C4'" 
425  O "O4'" . DT  B 6   ? 0.6542 1.0935 0.5476 -0.0823 0.2086  -0.1921 7   DT  B "O4'" 
426  C "C3'" . DT  B 6   ? 0.7212 1.1623 0.6111 -0.1190 0.2344  -0.2842 7   DT  B "C3'" 
427  O "O3'" . DT  B 6   ? 0.7912 1.1651 0.6784 -0.1384 0.2842  -0.3031 7   DT  B "O3'" 
428  C "C2'" . DT  B 6   ? 0.6926 1.1353 0.5636 -0.0799 0.2130  -0.2418 7   DT  B "C2'" 
429  C "C1'" . DT  B 6   ? 0.6697 1.0897 0.5467 -0.0623 0.2145  -0.1824 7   DT  B "C1'" 
430  N N1    . DT  B 6   ? 0.6285 1.0792 0.4885 -0.0332 0.1787  -0.1412 7   DT  B N1    
431  C C2    . DT  B 6   ? 0.6211 1.0445 0.4767 -0.0100 0.1899  -0.0882 7   DT  B C2    
432  O O2    . DT  B 6   ? 0.6592 1.0332 0.5241 -0.0059 0.2274  -0.0709 7   DT  B O2    
433  N N3    . DT  B 6   ? 0.5799 1.0369 0.4160 0.0085  0.1568  -0.0561 7   DT  B N3    
434  C C4    . DT  B 6   ? 0.5772 1.0788 0.3922 0.0091  0.1168  -0.0698 7   DT  B C4    
435  O O4    . DT  B 6   ? 0.5219 1.0413 0.3116 0.0232  0.0927  -0.0393 7   DT  B O4    
436  C C5    . DT  B 6   ? 0.5499 1.0765 0.3704 -0.0082 0.1068  -0.1229 7   DT  B C5    
437  C C7    . DT  B 6   ? 0.5228 1.0939 0.3201 -0.0015 0.0650  -0.1380 7   DT  B C7    
438  C C6    . DT  B 6   ? 0.5837 1.0902 0.4290 -0.0298 0.1370  -0.1563 7   DT  B C6    
439  P P     . DC  B 7   ? 0.8809 1.2501 0.7518 -0.1523 0.2979  -0.3512 8   DC  B P     
440  O OP1   . DC  B 7   ? 0.9046 1.2340 0.7762 -0.1972 0.3418  -0.3970 8   DC  B OP1   
441  O OP2   . DC  B 7   ? 0.9118 1.3648 0.7776 -0.1442 0.2496  -0.3733 8   DC  B OP2   
442  O "O5'" . DC  B 7   ? 0.8598 1.1661 0.7134 -0.1178 0.3194  -0.3089 8   DC  B "O5'" 
443  C "C5'" . DC  B 7   ? 0.8742 1.1212 0.7311 -0.0976 0.3456  -0.2563 8   DC  B "C5'" 
444  C "C4'" . DC  B 7   ? 0.8705 1.0990 0.7150 -0.0559 0.3468  -0.2115 8   DC  B "C4'" 
445  O "O4'" . DC  B 7   ? 0.7971 1.0825 0.6466 -0.0312 0.3022  -0.1703 8   DC  B "O4'" 
446  C "C3'" . DC  B 7   ? 0.9105 1.1415 0.7360 -0.0523 0.3476  -0.2401 8   DC  B "C3'" 
447  O "O3'" . DC  B 7   ? 0.9614 1.1144 0.7727 -0.0392 0.3968  -0.2287 8   DC  B "O3'" 
448  C "C2'" . DC  B 7   ? 0.8898 1.1806 0.7104 -0.0220 0.3011  -0.2091 8   DC  B "C2'" 
449  C "C1'" . DC  B 7   ? 0.8128 1.1110 0.6469 -0.0046 0.2905  -0.1539 8   DC  B "C1'" 
450  N N1    . DC  B 7   ? 0.7637 1.1275 0.5922 0.0088  0.2395  -0.1316 8   DC  B N1    
451  C C2    . DC  B 7   ? 0.7472 1.1197 0.5705 0.0373  0.2307  -0.0761 8   DC  B C2    
452  O O2    . DC  B 7   ? 0.7875 1.1220 0.6151 0.0558  0.2631  -0.0453 8   DC  B O2    
453  N N3    . DC  B 7   ? 0.6625 1.0854 0.4720 0.0440  0.1884  -0.0583 8   DC  B N3    
454  C C4    . DC  B 7   ? 0.6134 1.0725 0.4136 0.0300  0.1563  -0.0907 8   DC  B C4    
455  N N4    . DC  B 7   ? 0.5732 1.0687 0.3505 0.0388  0.1192  -0.0705 8   DC  B N4    
456  C C5    . DC  B 7   ? 0.6344 1.0951 0.4447 0.0061  0.1625  -0.1454 8   DC  B C5    
457  C C6    . DC  B 7   ? 0.7096 1.1243 0.5344 -0.0070 0.2040  -0.1652 8   DC  B C6    
458  P P     . DC  B 8   ? 1.0202 1.1534 0.8081 -0.0390 0.4126  -0.2611 9   DC  B P     
459  O OP1   . DC  B 8   ? 1.1631 1.1983 0.9337 -0.0470 0.4758  -0.2716 9   DC  B OP1   
460  O OP2   . DC  B 8   ? 0.9939 1.1933 0.7788 -0.0645 0.3763  -0.3122 9   DC  B OP2   
461  O "O5'" . DC  B 8   ? 1.0381 1.1917 0.8221 0.0081  0.3954  -0.2094 9   DC  B "O5'" 
462  C "C5'" . DC  B 8   ? 0.9877 1.1116 0.7779 0.0428  0.4150  -0.1499 9   DC  B "C5'" 
463  C "C4'" . DC  B 8   ? 0.9477 1.1320 0.7402 0.0754  0.3784  -0.1059 9   DC  B "C4'" 
464  O "O4'" . DC  B 8   ? 0.8414 1.0953 0.6404 0.0612  0.3263  -0.1109 9   DC  B "O4'" 
465  C "C3'" . DC  B 8   ? 0.9297 1.1243 0.7036 0.0890  0.3755  -0.1171 9   DC  B "C3'" 
466  O "O3'" . DC  B 8   ? 1.0532 1.2182 0.8242 0.1258  0.4066  -0.0763 9   DC  B "O3'" 
467  C "C2'" . DC  B 8   ? 0.8747 1.1494 0.6454 0.0911  0.3184  -0.1076 9   DC  B "C2'" 
468  C "C1'" . DC  B 8   ? 0.7996 1.1011 0.5874 0.0820  0.2954  -0.0875 9   DC  B "C1'" 
469  N N1    . DC  B 8   ? 0.7839 1.1435 0.5638 0.0661  0.2460  -0.1077 9   DC  B N1    
470  C C2    . DC  B 8   ? 0.7260 1.1316 0.4955 0.0802  0.2105  -0.0710 9   DC  B C2    
471  O O2    . DC  B 8   ? 0.7376 1.1446 0.5106 0.1017  0.2195  -0.0232 9   DC  B O2    
472  N N3    . DC  B 8   ? 0.7028 1.1504 0.4560 0.0697  0.1689  -0.0881 9   DC  B N3    
473  C C4    . DC  B 8   ? 0.6812 1.1376 0.4330 0.0498  0.1598  -0.1390 9   DC  B C4    
474  N N4    . DC  B 8   ? 0.6318 1.1294 0.3649 0.0469  0.1189  -0.1513 9   DC  B N4    
475  C C5    . DC  B 8   ? 0.7119 1.1343 0.4785 0.0316  0.1935  -0.1792 9   DC  B C5    
476  C C6    . DC  B 8   ? 0.7543 1.1230 0.5315 0.0390  0.2370  -0.1626 9   DC  B C6    
477  P P     . DC  B 9   ? 1.0892 1.2406 0.8393 0.1411  0.4225  -0.0901 10  DC  B P     
478  O OP1   . DC  B 9   ? 1.2983 1.3871 1.0447 0.1748  0.4759  -0.0595 10  DC  B OP1   
479  O OP2   . DC  B 9   ? 1.0108 1.1542 0.7453 0.1051  0.4175  -0.1553 10  DC  B OP2   
480  O "O5'" . DC  B 9   ? 1.1275 1.3606 0.8771 0.1582  0.3757  -0.0595 10  DC  B "O5'" 
481  C "C5'" . DC  B 9   ? 1.0500 1.3115 0.8098 0.1933  0.3772  0.0012  10  DC  B "C5'" 
482  C "C4'" . DC  B 9   ? 0.9195 1.2599 0.6734 0.1921  0.3271  0.0202  10  DC  B "C4'" 
483  O "O4'" . DC  B 9   ? 0.9553 1.3202 0.7091 0.1631  0.2893  0.0023  10  DC  B "O4'" 
484  C "C3'" . DC  B 9   ? 0.9772 1.3384 0.7063 0.1898  0.3114  -0.0042 10  DC  B "C3'" 
485  O "O3'" . DC  B 9   ? 0.9854 1.3542 0.7146 0.2189  0.3293  0.0263  10  DC  B "O3'" 
486  C "C2'" . DC  B 9   ? 0.8917 1.3121 0.6080 0.1738  0.2582  0.0015  10  DC  B "C2'" 
487  C "C1'" . DC  B 9   ? 0.8630 1.2829 0.5965 0.1594  0.2477  0.0073  10  DC  B "C1'" 
488  N N1    . DC  B 9   ? 0.7900 1.2225 0.5097 0.1323  0.2137  -0.0329 10  DC  B N1    
489  C C2    . DC  B 9   ? 0.7939 1.2590 0.4987 0.1238  0.1668  -0.0206 10  DC  B C2    
490  O O2    . DC  B 9   ? 0.8073 1.2844 0.5164 0.1312  0.1527  0.0191  10  DC  B O2    
491  N N3    . DC  B 9   ? 0.8085 1.2781 0.5032 0.1050  0.1352  -0.0532 10  DC  B N3    
492  C C4    . DC  B 9   ? 0.8001 1.2630 0.4967 0.0929  0.1483  -0.0996 10  DC  B C4    
493  N N4    . DC  B 9   ? 0.6642 1.1363 0.3576 0.0774  0.1133  -0.1264 10  DC  B N4    
494  C C5    . DC  B 9   ? 0.7605 1.1859 0.4755 0.0923  0.1940  -0.1165 10  DC  B C5    
495  C C6    . DC  B 9   ? 0.7611 1.1630 0.4867 0.1130  0.2254  -0.0807 10  DC  B C6    
496  P P     . DT  B 10  ? 1.0350 1.4135 0.7411 0.2153  0.3167  0.0027  11  DT  B P     
497  O OP1   . DT  B 10  ? 1.0774 1.4481 0.7942 0.2446  0.3432  0.0319  11  DT  B OP1   
498  O OP2   . DT  B 10  ? 1.0817 1.4308 0.7658 0.1944  0.3226  -0.0572 11  DT  B OP2   
499  O "O5'" . DT  B 10  ? 0.8603 1.2924 0.5578 0.1972  0.2583  0.0162  11  DT  B "O5'" 
500  C "C5'" . DT  B 10  ? 0.9690 1.4380 0.6843 0.2043  0.2384  0.0650  11  DT  B "C5'" 
501  C "C4'" . DT  B 10  ? 0.8472 1.3426 0.5485 0.1796  0.1868  0.0637  11  DT  B "C4'" 
502  O "O4'" . DT  B 10  ? 0.8378 1.3236 0.5316 0.1600  0.1670  0.0419  11  DT  B "O4'" 
503  C "C3'" . DT  B 10  ? 0.8370 1.3273 0.5119 0.1708  0.1729  0.0380  11  DT  B "C3'" 
504  O "O3'" . DT  B 10  ? 0.7476 1.2639 0.4299 0.1768  0.1664  0.0655  11  DT  B "O3'" 
505  C "C2'" . DT  B 10  ? 0.7541 1.2374 0.4135 0.1446  0.1306  0.0186  11  DT  B "C2'" 
506  C "C1'" . DT  B 10  ? 0.8840 1.3683 0.5584 0.1401  0.1280  0.0239  11  DT  B "C1'" 
507  N N1    . DT  B 10  ? 0.8265 1.2933 0.4873 0.1273  0.1192  -0.0172 11  DT  B N1    
508  C C2    . DT  B 10  ? 0.7965 1.2557 0.4512 0.1105  0.0807  -0.0255 11  DT  B C2    
509  O O2    . DT  B 10  ? 0.7237 1.1789 0.3826 0.1029  0.0588  -0.0030 11  DT  B O2    
510  N N3    . DT  B 10  ? 0.8008 1.2513 0.4498 0.1021  0.0730  -0.0621 11  DT  B N3    
511  C C4    . DT  B 10  ? 0.7063 1.1549 0.3549 0.1022  0.0988  -0.0971 11  DT  B C4    
512  O O4    . DT  B 10  ? 0.7240 1.1709 0.3734 0.0903  0.0868  -0.1308 11  DT  B O4    
513  C C5    . DT  B 10  ? 0.7990 1.2424 0.4528 0.1167  0.1444  -0.0909 11  DT  B C5    
514  C C7    . DT  B 10  ? 0.8195 1.2417 0.4779 0.1134  0.1832  -0.1310 11  DT  B C7    
515  C C6    . DT  B 10  ? 0.7173 1.1697 0.3771 0.1318  0.1524  -0.0487 11  DT  B C6    
516  P P     . DT  B 11  ? 1.0081 1.5187 0.6674 0.1753  0.1666  0.0467  12  DT  B P     
517  O OP1   . DT  B 11  ? 0.9987 1.5446 0.6765 0.1900  0.1745  0.0806  12  DT  B OP1   
518  O OP2   . DT  B 11  ? 1.0925 1.5676 0.7333 0.1799  0.1926  0.0071  12  DT  B OP2   
519  O "O5'" . DT  B 11  ? 0.8675 1.3675 0.5084 0.1460  0.1229  0.0330  12  DT  B "O5'" 
520  C "C5'" . DT  B 11  ? 0.8433 1.3556 0.5002 0.1311  0.0974  0.0567  12  DT  B "C5'" 
521  C "C4'" . DT  B 11  ? 0.7026 1.1758 0.3390 0.1067  0.0677  0.0371  12  DT  B "C4'" 
522  O "O4'" . DT  B 11  ? 0.7683 1.2206 0.3981 0.1046  0.0616  0.0147  12  DT  B "O4'" 
523  C "C3'" . DT  B 11  ? 0.7987 1.2481 0.4060 0.1002  0.0634  0.0183  12  DT  B "C3'" 
524  O "O3'" . DT  B 11  ? 0.7356 1.1587 0.3340 0.0801  0.0446  0.0268  12  DT  B "O3'" 
525  C "C2'" . DT  B 11  ? 0.8385 1.2573 0.4259 0.0987  0.0575  -0.0158 12  DT  B "C2'" 
526  C "C1'" . DT  B 11  ? 0.7458 1.1626 0.3495 0.0949  0.0471  -0.0124 12  DT  B "C1'" 
527  N N1    . DT  B 11  ? 0.6915 1.1044 0.2917 0.0988  0.0499  -0.0419 12  DT  B N1    
528  C C2    . DT  B 11  ? 0.7510 1.1374 0.3450 0.0885  0.0275  -0.0573 12  DT  B C2    
529  O O2    . DT  B 11  ? 0.8173 1.1715 0.4027 0.0777  0.0093  -0.0470 12  DT  B O2    
530  N N3    . DT  B 11  ? 0.6955 1.0893 0.2924 0.0908  0.0308  -0.0864 12  DT  B N3    
531  C C4    . DT  B 11  ? 0.7731 1.1852 0.3739 0.0983  0.0581  -0.1054 12  DT  B C4    
532  O O4    . DT  B 11  ? 0.7254 1.1389 0.3300 0.0937  0.0612  -0.1364 12  DT  B O4    
533  C C5    . DT  B 11  ? 0.8115 1.2359 0.4143 0.1111  0.0873  -0.0864 12  DT  B C5    
534  C C7    . DT  B 11  ? 0.7675 1.1908 0.3752 0.1220  0.1300  -0.1033 12  DT  B C7    
535  C C6    . DT  B 11  ? 0.7107 1.1413 0.3149 0.1125  0.0794  -0.0539 12  DT  B C6    
536  P P     . DT  B 12  ? 0.8880 1.2796 0.4536 0.0699  0.0399  0.0161  13  DT  B P     
537  O OP1   . DT  B 12  ? 0.8756 1.2855 0.4477 0.0585  0.0349  0.0367  13  DT  B OP1   
538  O OP2   . DT  B 12  ? 0.9342 1.3480 0.4931 0.0858  0.0584  0.0028  13  DT  B OP2   
539  O "O5'" . DT  B 12  ? 1.0651 1.4104 0.6056 0.0613  0.0201  -0.0034 13  DT  B "O5'" 
540  C "C5'" . DT  B 12  ? 0.8449 1.1835 0.3976 0.0604  0.0095  -0.0039 13  DT  B "C5'" 
541  C "C4'" . DT  B 12  ? 0.8838 1.1915 0.4121 0.0563  -0.0076 -0.0173 13  DT  B "C4'" 
542  O "O4'" . DT  B 12  ? 0.8810 1.1827 0.4150 0.0627  -0.0120 -0.0363 13  DT  B "O4'" 
543  C "C3'" . DT  B 12  ? 0.9809 1.2679 0.4753 0.0539  -0.0103 -0.0280 13  DT  B "C3'" 
544  O "O3'" . DT  B 12  ? 1.0285 1.2853 0.4953 0.0479  -0.0238 -0.0271 13  DT  B "O3'" 
545  C "C2'" . DT  B 12  ? 0.9945 1.2772 0.4863 0.0620  -0.0082 -0.0529 13  DT  B "C2'" 
546  C "C1'" . DT  B 12  ? 0.9289 1.2172 0.4419 0.0657  -0.0145 -0.0582 13  DT  B "C1'" 
547  N N1    . DT  B 12  ? 0.9562 1.2514 0.4801 0.0705  -0.0043 -0.0781 13  DT  B N1    
548  C C2    . DT  B 12  ? 0.8887 1.1853 0.4192 0.0728  -0.0135 -0.0970 13  DT  B C2    
549  O O2    . DT  B 12  ? 0.8915 1.1872 0.4216 0.0747  -0.0293 -0.0961 13  DT  B O2    
550  N N3    . DT  B 12  ? 0.7862 1.1104 0.3283 0.0787  -0.0012 -0.1207 13  DT  B N3    
551  C C4    . DT  B 12  ? 0.8158 1.1635 0.3598 0.0853  0.0224  -0.1280 13  DT  B C4    
552  O O4    . DT  B 12  ? 0.7817 1.1447 0.3314 0.0880  0.0378  -0.1544 13  DT  B O4    
553  C C5    . DT  B 12  ? 0.8282 1.1770 0.3661 0.0874  0.0318  -0.1036 13  DT  B C5    
554  C C7    . DT  B 12  ? 0.8135 1.1859 0.3532 0.0990  0.0623  -0.1055 13  DT  B C7    
555  C C6    . DT  B 12  ? 0.8339 1.1576 0.3637 0.0781  0.0165  -0.0805 13  DT  B C6    
556  P P     . DT  B 13  ? 1.1568 1.3808 0.5781 0.0445  -0.0290 -0.0367 14  DT  B P     
557  O OP1   . DT  B 13  ? 1.2245 1.4169 0.6132 0.0331  -0.0345 -0.0234 14  DT  B OP1   
558  O OP2   . DT  B 13  ? 0.9421 1.1791 0.3619 0.0458  -0.0177 -0.0428 14  DT  B OP2   
559  O "O5'" . DT  B 13  ? 1.1295 1.3434 0.5453 0.0539  -0.0399 -0.0566 14  DT  B "O5'" 
560  C "C5'" . DT  B 13  ? 1.0684 1.2781 0.4916 0.0575  -0.0494 -0.0548 14  DT  B "C5'" 
561  C "C4'" . DT  B 13  ? 1.0454 1.2651 0.4745 0.0704  -0.0576 -0.0757 14  DT  B "C4'" 
562  O "O4'" . DT  B 13  ? 0.9759 1.2256 0.4372 0.0749  -0.0507 -0.0896 14  DT  B "O4'" 
563  C "C3'" . DT  B 13  ? 1.1535 1.3572 0.5486 0.0740  -0.0634 -0.0881 14  DT  B "C3'" 
564  O "O3'" . DT  B 13  ? 1.2425 1.4378 0.6235 0.0837  -0.0751 -0.0909 14  DT  B "O3'" 
565  C "C2'" . DT  B 13  ? 1.0877 1.3175 0.5019 0.0800  -0.0595 -0.1101 14  DT  B "C2'" 
566  C "C1'" . DT  B 13  ? 1.0075 1.2638 0.4621 0.0822  -0.0559 -0.1123 14  DT  B "C1'" 
567  N N1    . DT  B 13  ? 1.0066 1.2791 0.4776 0.0803  -0.0441 -0.1282 14  DT  B N1    
568  C C2    . DT  B 13  ? 0.9315 1.2249 0.4218 0.0838  -0.0458 -0.1497 14  DT  B C2    
569  O O2    . DT  B 13  ? 0.9493 1.2570 0.4492 0.0910  -0.0579 -0.1554 14  DT  B O2    
570  N N3    . DT  B 13  ? 0.8332 1.1288 0.3285 0.0782  -0.0304 -0.1654 14  DT  B N3    
571  C C4    . DT  B 13  ? 0.8458 1.1262 0.3295 0.0737  -0.0126 -0.1605 14  DT  B C4    
572  O O4    . DT  B 13  ? 0.8503 1.1495 0.3400 0.0760  0.0047  -0.1806 14  DT  B O4    
573  C C5    . DT  B 13  ? 0.8878 1.1576 0.3575 0.0730  -0.0139 -0.1363 14  DT  B C5    
574  C C7    . DT  B 13  ? 0.8673 1.1300 0.3272 0.0704  0.0052  -0.1286 14  DT  B C7    
575  C C6    . DT  B 13  ? 0.9400 1.2052 0.4036 0.0743  -0.0297 -0.1223 14  DT  B C6    
576  P P     . DC  B 14  ? 1.2328 1.4015 0.5664 0.0871  -0.0820 -0.0947 15  DC  B P     
577  O OP1   . DC  B 14  ? 1.2542 1.3928 0.5587 0.0850  -0.0865 -0.0804 15  DC  B OP1   
578  O OP2   . DC  B 14  ? 1.1179 1.2736 0.4313 0.0748  -0.0744 -0.0957 15  DC  B OP2   
579  O "O5'" . DC  B 14  ? 1.2223 1.4233 0.5719 0.1089  -0.0910 -0.1171 15  DC  B "O5'" 
580  C "C5'" . DC  B 14  ? 1.0545 1.2940 0.4487 0.1166  -0.0920 -0.1280 15  DC  B "C5'" 
581  C "C4'" . DC  B 14  ? 1.0905 1.3627 0.4955 0.1273  -0.0970 -0.1535 15  DC  B "C4'" 
582  O "O4'" . DC  B 14  ? 0.9768 1.2645 0.4050 0.1147  -0.0864 -0.1649 15  DC  B "O4'" 
583  C "C3'" . DC  B 14  ? 1.1699 1.4276 0.5365 0.1330  -0.1021 -0.1600 15  DC  B "C3'" 
584  O "O3'" . DC  B 14  ? 1.1602 1.4530 0.5341 0.1516  -0.1128 -0.1801 15  DC  B "O3'" 
585  C "C2'" . DC  B 14  ? 1.1322 1.3837 0.4970 0.1162  -0.0910 -0.1661 15  DC  B "C2'" 
586  C "C1'" . DC  B 14  ? 1.1038 1.3884 0.5119 0.1125  -0.0853 -0.1791 15  DC  B "C1'" 
587  N N1    . DC  B 14  ? 1.0236 1.3009 0.4375 0.0976  -0.0697 -0.1816 15  DC  B N1    
588  C C2    . DC  B 14  ? 0.9490 1.2481 0.3894 0.0926  -0.0614 -0.2003 15  DC  B C2    
589  O O2    . DC  B 14  ? 1.0047 1.3335 0.4665 0.0977  -0.0687 -0.2148 15  DC  B O2    
590  N N3    . DC  B 14  ? 0.9287 1.2148 0.3680 0.0821  -0.0437 -0.2029 15  DC  B N3    
591  C C4    . DC  B 14  ? 0.9368 1.1988 0.3553 0.0782  -0.0359 -0.1872 15  DC  B C4    
592  N N4    . DC  B 14  ? 0.9675 1.2201 0.3852 0.0720  -0.0158 -0.1901 15  DC  B N4    
593  C C5    . DC  B 14  ? 1.0298 1.2743 0.4240 0.0801  -0.0459 -0.1688 15  DC  B C5    
594  C C6    . DC  B 14  ? 1.0086 1.2568 0.3985 0.0890  -0.0617 -0.1670 15  DC  B C6    
595  P P     . DA  B 15  ? 1.2067 1.5100 0.5739 0.1784  -0.1253 -0.1776 16  DA  B P     
596  O OP1   . DA  B 15  ? 1.0466 1.3233 0.4129 0.1756  -0.1221 -0.1561 16  DA  B OP1   
597  O OP2   . DA  B 15  ? 1.1046 1.3970 0.4315 0.1944  -0.1334 -0.1817 16  DA  B OP2   
598  O "O5'" . DA  B 15  ? 1.0999 1.4648 0.5129 0.1871  -0.1300 -0.1994 16  DA  B "O5'" 
599  C "C5'" . DA  B 15  ? 1.0851 1.4701 0.5342 0.1667  -0.1208 -0.2096 16  DA  B "C5'" 
600  C "C4'" . DA  B 15  ? 0.9791 1.4208 0.4548 0.1694  -0.1253 -0.2388 16  DA  B "C4'" 
601  O "O4'" . DA  B 15  ? 1.0629 1.5027 0.5416 0.1476  -0.1153 -0.2540 16  DA  B "O4'" 
602  C "C3'" . DA  B 15  ? 1.1092 1.5778 0.5672 0.1923  -0.1386 -0.2510 16  DA  B "C3'" 
603  O "O3'" . DA  B 15  ? 1.0168 1.5505 0.5077 0.1960  -0.1436 -0.2762 16  DA  B "O3'" 
604  C "C2'" . DA  B 15  ? 1.0541 1.4982 0.4827 0.1808  -0.1352 -0.2562 16  DA  B "C2'" 
605  C "C1'" . DA  B 15  ? 1.0225 1.4598 0.4721 0.1521  -0.1203 -0.2637 16  DA  B "C1'" 
606  N N9    . DA  B 15  ? 1.0308 1.4186 0.4534 0.1379  -0.1098 -0.2518 16  DA  B N9    
607  C C8    . DA  B 15  ? 1.0551 1.4013 0.4405 0.1424  -0.1113 -0.2320 16  DA  B C8    
608  N N7    . DA  B 15  ? 1.0581 1.3719 0.4273 0.1258  -0.0995 -0.2267 16  DA  B N7    
609  C C5    . DA  B 15  ? 1.0375 1.3687 0.4323 0.1124  -0.0889 -0.2442 16  DA  B C5    
610  C C6    . DA  B 15  ? 1.0350 1.3459 0.4261 0.0960  -0.0718 -0.2489 16  DA  B C6    
611  N N6    . DA  B 15  ? 1.0482 1.3238 0.4121 0.0901  -0.0636 -0.2353 16  DA  B N6    
612  N N1    . DA  B 15  ? 1.0237 1.3505 0.4373 0.0860  -0.0612 -0.2692 16  DA  B N1    
613  C C2    . DA  B 15  ? 1.0125 1.3781 0.4536 0.0886  -0.0688 -0.2842 16  DA  B C2    
614  N N3    . DA  B 15  ? 1.0086 1.4048 0.4606 0.1039  -0.0859 -0.2815 16  DA  B N3    
615  C C4    . DA  B 15  ? 1.0224 1.3969 0.4489 0.1173  -0.0949 -0.2604 16  DA  B C4    
616  N N     . GLY C 8   ? 0.8762 0.8997 0.5388 -0.0218 0.2182  0.0626  169 GLY C N     
617  C CA    . GLY C 8   ? 0.8598 0.9233 0.5723 -0.0230 0.2181  0.0544  169 GLY C CA    
618  C C     . GLY C 8   ? 0.7758 0.8705 0.5234 -0.0255 0.1904  0.0446  169 GLY C C     
619  O O     . GLY C 8   ? 0.6384 0.7521 0.4287 -0.0324 0.1877  0.0436  169 GLY C O     
620  N N     . ALA C 9   ? 0.6890 0.7876 0.4180 -0.0199 0.1701  0.0372  170 ALA C N     
621  C CA    . ALA C 9   ? 0.6039 0.7286 0.3590 -0.0212 0.1454  0.0282  170 ALA C CA    
622  C C     . ALA C 9   ? 0.7715 0.9290 0.5618 -0.0208 0.1442  0.0212  170 ALA C C     
623  O O     . ALA C 9   ? 0.7051 0.8611 0.4807 -0.0155 0.1493  0.0198  170 ALA C O     
624  C CB    . ALA C 9   ? 0.7860 0.8967 0.5048 -0.0159 0.1243  0.0250  170 ALA C CB    
625  N N     . ARG C 10  ? 0.6911 0.8759 0.5259 -0.0259 0.1362  0.0165  171 ARG C N     
626  C CA    . ARG C 10  ? 0.6153 0.8304 0.4849 -0.0256 0.1326  0.0102  171 ARG C CA    
627  C C     . ARG C 10  ? 0.4840 0.7095 0.3427 -0.0213 0.1121  0.0028  171 ARG C C     
628  O O     . ARG C 10  ? 0.5203 0.7431 0.3680 -0.0214 0.0961  -0.0002 171 ARG C O     
629  C CB    . ARG C 10  ? 0.6193 0.8566 0.5375 -0.0326 0.1292  0.0075  171 ARG C CB    
630  C CG    . ARG C 10  ? 0.5626 0.8032 0.5122 -0.0371 0.1511  0.0133  171 ARG C CG    
631  C CD    . ARG C 10  ? 0.6392 0.8986 0.6369 -0.0450 0.1439  0.0102  171 ARG C CD    
632  N NE    . ARG C 10  ? 0.6902 0.9585 0.7283 -0.0496 0.1633  0.0149  171 ARG C NE    
633  C CZ    . ARG C 10  ? 0.6168 0.9118 0.6998 -0.0505 0.1611  0.0107  171 ARG C CZ    
634  N NH1   . ARG C 10  ? 0.7630 1.0769 0.8529 -0.0471 0.1401  0.0020  171 ARG C NH1   
635  N NH2   . ARG C 10  ? 0.6301 0.9321 0.7524 -0.0547 0.1807  0.0157  171 ARG C NH2   
636  N N     . LYS C 11  ? 0.4389 0.6774 0.3044 -0.0176 0.1132  0.0001  172 LYS C N     
637  C CA    . LYS C 11  ? 0.5080 0.7573 0.3667 -0.0141 0.0957  -0.0060 172 LYS C CA    
638  C C     . LYS C 11  ? 0.6037 0.8799 0.4970 -0.0171 0.0825  -0.0119 172 LYS C C     
639  O O     . LYS C 11  ? 0.4652 0.7560 0.3923 -0.0202 0.0873  -0.0122 172 LYS C O     
640  C CB    . LYS C 11  ? 0.4813 0.7292 0.3291 -0.0084 0.1018  -0.0060 172 LYS C CB    
641  C CG    . LYS C 11  ? 0.5723 0.8268 0.4092 -0.0052 0.0851  -0.0108 172 LYS C CG    
642  C CD    . LYS C 11  ? 0.5957 0.8496 0.4273 0.0001  0.0910  -0.0111 172 LYS C CD    
643  C CE    . LYS C 11  ? 0.5859 0.8648 0.4544 0.0001  0.0907  -0.0131 172 LYS C CE    
644  N NZ    . LYS C 11  ? 0.4056 0.7025 0.2859 -0.0015 0.0717  -0.0173 172 LYS C NZ    
645  N N     . LYS C 12  ? 0.4704 0.7520 0.3548 -0.0159 0.0657  -0.0167 173 LYS C N     
646  C CA    . LYS C 12  ? 0.4454 0.7484 0.3525 -0.0174 0.0525  -0.0227 173 LYS C CA    
647  C C     . LYS C 12  ? 0.5835 0.8925 0.4773 -0.0132 0.0430  -0.0252 173 LYS C C     
648  O O     . LYS C 12  ? 0.4781 0.7742 0.3463 -0.0102 0.0431  -0.0235 173 LYS C O     
649  C CB    . LYS C 12  ? 0.4317 0.7343 0.3425 -0.0208 0.0431  -0.0263 173 LYS C CB    
650  C CG    . LYS C 12  ? 0.4624 0.7627 0.3948 -0.0262 0.0500  -0.0246 173 LYS C CG    
651  C CD    . LYS C 12  ? 0.5168 0.8242 0.4635 -0.0294 0.0372  -0.0312 173 LYS C CD    
652  C CE    . LYS C 12  ? 0.4916 0.7928 0.4581 -0.0354 0.0433  -0.0291 173 LYS C CE    
653  N NZ    . LYS C 12  ? 0.5517 0.8455 0.5139 -0.0369 0.0333  -0.0336 173 LYS C NZ    
654  N N     . LEU C 13  ? 0.4158 0.7429 0.3271 -0.0132 0.0343  -0.0291 174 LEU C N     
655  C CA    . LEU C 13  ? 0.4040 0.7365 0.3042 -0.0097 0.0264  -0.0305 174 LEU C CA    
656  C C     . LEU C 13  ? 0.4306 0.7599 0.3142 -0.0096 0.0175  -0.0332 174 LEU C C     
657  O O     . LEU C 13  ? 0.4116 0.7409 0.2984 -0.0118 0.0134  -0.0364 174 LEU C O     
658  C CB    . LEU C 13  ? 0.4904 0.8404 0.4103 -0.0093 0.0188  -0.0331 174 LEU C CB    
659  C CG    . LEU C 13  ? 0.4735 0.8312 0.4172 -0.0084 0.0248  -0.0311 174 LEU C CG    
660  C CD1   . LEU C 13  ? 0.4612 0.8340 0.4190 -0.0071 0.0121  -0.0339 174 LEU C CD1   
661  C CD2   . LEU C 13  ? 0.4123 0.7605 0.3449 -0.0045 0.0363  -0.0266 174 LEU C CD2   
662  N N     . ARG C 14  ? 0.3213 0.6479 0.1895 -0.0069 0.0149  -0.0320 175 ARG C N     
663  C CA    . ARG C 14  ? 0.4205 0.7477 0.2789 -0.0065 0.0072  -0.0344 175 ARG C CA    
664  C C     . ARG C 14  ? 0.4658 0.8077 0.3311 -0.0062 0.0009  -0.0371 175 ARG C C     
665  O O     . ARG C 14  ? 0.3318 0.6809 0.2055 -0.0054 0.0005  -0.0362 175 ARG C O     
666  C CB    . ARG C 14  ? 0.4614 0.7777 0.3028 -0.0045 0.0071  -0.0316 175 ARG C CB    
667  C CG    . ARG C 14  ? 0.5559 0.8535 0.3839 -0.0042 0.0116  -0.0291 175 ARG C CG    
668  C CD    . ARG C 14  ? 0.5402 0.8215 0.3529 -0.0022 0.0073  -0.0274 175 ARG C CD    
669  N NE    . ARG C 14  ? 0.4842 0.7658 0.3004 -0.0025 -0.0016 -0.0293 175 ARG C NE    
670  C CZ    . ARG C 14  ? 0.5175 0.7923 0.3304 -0.0016 -0.0076 -0.0287 175 ARG C CZ    
671  N NH1   . ARG C 14  ? 0.6396 0.9037 0.4436 -0.0004 -0.0070 -0.0266 175 ARG C NH1   
672  N NH2   . ARG C 14  ? 0.6086 0.8891 0.4275 -0.0020 -0.0145 -0.0308 175 ARG C NH2   
673  N N     . LEU C 15  ? 0.4734 0.8184 0.3344 -0.0062 -0.0040 -0.0404 176 LEU C N     
674  C CA    . LEU C 15  ? 0.4088 0.7619 0.2731 -0.0055 -0.0088 -0.0427 176 LEU C CA    
675  C C     . LEU C 15  ? 0.4273 0.7788 0.2905 -0.0037 -0.0088 -0.0377 176 LEU C C     
676  O O     . LEU C 15  ? 0.4535 0.8133 0.3183 -0.0029 -0.0123 -0.0378 176 LEU C O     
677  C CB    . LEU C 15  ? 0.4045 0.7541 0.2678 -0.0050 -0.0104 -0.0460 176 LEU C CB    
678  C CG    . LEU C 15  ? 0.4359 0.7888 0.2975 -0.0037 -0.0136 -0.0486 176 LEU C CG    
679  C CD1   . LEU C 15  ? 0.3564 0.7176 0.2195 -0.0043 -0.0196 -0.0524 176 LEU C CD1   
680  C CD2   . LEU C 15  ? 0.3163 0.6675 0.1752 -0.0028 -0.0127 -0.0537 176 LEU C CD2   
681  N N     . TYR C 16  ? 0.3825 0.7239 0.2422 -0.0032 -0.0062 -0.0336 177 TYR C N     
682  C CA    . TYR C 16  ? 0.3881 0.7278 0.2459 -0.0019 -0.0065 -0.0292 177 TYR C CA    
683  C C     . TYR C 16  ? 0.4011 0.7467 0.2593 -0.0004 -0.0058 -0.0276 177 TYR C C     
684  O O     . TYR C 16  ? 0.3405 0.6897 0.1979 0.0013  -0.0083 -0.0250 177 TYR C O     
685  C CB    . TYR C 16  ? 0.4333 0.7626 0.2869 -0.0022 -0.0053 -0.0264 177 TYR C CB    
686  C CG    . TYR C 16  ? 0.3624 0.6816 0.2100 -0.0016 -0.0033 -0.0253 177 TYR C CG    
687  C CD1   . TYR C 16  ? 0.3399 0.6557 0.1830 0.0002  -0.0016 -0.0226 177 TYR C CD1   
688  C CD2   . TYR C 16  ? 0.3798 0.6910 0.2230 -0.0022 -0.0030 -0.0270 177 TYR C CD2   
689  C CE1   . TYR C 16  ? 0.4786 0.7821 0.3118 0.0015  0.0017  -0.0223 177 TYR C CE1   
690  C CE2   . TYR C 16  ? 0.4340 0.7315 0.2659 -0.0010 -0.0008 -0.0258 177 TYR C CE2   
691  C CZ    . TYR C 16  ? 0.4362 0.7291 0.2624 0.0009  0.0022  -0.0237 177 TYR C CZ    
692  O OH    . TYR C 16  ? 0.6178 0.8940 0.4288 0.0028  0.0057  -0.0231 177 TYR C OH    
693  N N     . GLN C 17  ? 0.3385 0.6862 0.1968 -0.0005 -0.0015 -0.0289 178 GLN C N     
694  C CA    . GLN C 17  ? 0.3690 0.7189 0.2371 0.0014  0.0018  -0.0272 178 GLN C CA    
695  C C     . GLN C 17  ? 0.4074 0.7697 0.2915 0.0013  -0.0040 -0.0292 178 GLN C C     
696  O O     . GLN C 17  ? 0.3854 0.7526 0.2779 0.0039  -0.0070 -0.0273 178 GLN C O     
697  C CB    . GLN C 17  ? 0.4141 0.7550 0.2841 0.0011  0.0110  -0.0268 178 GLN C CB    
698  C CG    . GLN C 17  ? 0.3416 0.6663 0.1926 0.0023  0.0153  -0.0249 178 GLN C CG    
699  C CD    . GLN C 17  ? 0.4223 0.7349 0.2685 0.0021  0.0243  -0.0244 178 GLN C CD    
700  O OE1   . GLN C 17  ? 0.4023 0.7177 0.2570 -0.0006 0.0260  -0.0255 178 GLN C OE1   
701  N NE2   . GLN C 17  ? 0.4272 0.7240 0.2578 0.0048  0.0305  -0.0226 178 GLN C NE2   
702  N N     . PHE C 18  ? 0.3819 0.7479 0.2711 -0.0013 -0.0069 -0.0335 179 PHE C N     
703  C CA    . PHE C 18  ? 0.3489 0.7247 0.2515 -0.0017 -0.0154 -0.0368 179 PHE C CA    
704  C C     . PHE C 18  ? 0.3376 0.7168 0.2301 0.0008  -0.0242 -0.0358 179 PHE C C     
705  O O     . PHE C 18  ? 0.3427 0.7271 0.2459 0.0029  -0.0306 -0.0348 179 PHE C O     
706  C CB    . PHE C 18  ? 0.3272 0.7030 0.2304 -0.0048 -0.0183 -0.0424 179 PHE C CB    
707  C CG    . PHE C 18  ? 0.3948 0.7776 0.3073 -0.0053 -0.0296 -0.0474 179 PHE C CG    
708  C CD1   . PHE C 18  ? 0.4663 0.8557 0.4048 -0.0063 -0.0328 -0.0481 179 PHE C CD1   
709  C CD2   . PHE C 18  ? 0.4755 0.8574 0.3715 -0.0046 -0.0370 -0.0519 179 PHE C CD2   
710  C CE1   . PHE C 18  ? 0.3977 0.7924 0.3458 -0.0069 -0.0463 -0.0534 179 PHE C CE1   
711  C CE2   . PHE C 18  ? 0.4182 0.8032 0.3184 -0.0046 -0.0493 -0.0575 179 PHE C CE2   
712  C CZ    . PHE C 18  ? 0.4634 0.8545 0.3897 -0.0059 -0.0554 -0.0584 179 PHE C CZ    
713  N N     . LEU C 19  ? 0.4483 0.8237 0.3206 0.0009  -0.0241 -0.0354 180 LEU C N     
714  C CA    . LEU C 19  ? 0.4508 0.8243 0.3111 0.0030  -0.0297 -0.0330 180 LEU C CA    
715  C C     . LEU C 19  ? 0.4356 0.8096 0.2953 0.0057  -0.0298 -0.0268 180 LEU C C     
716  O O     . LEU C 19  ? 0.4320 0.8075 0.2903 0.0083  -0.0378 -0.0248 180 LEU C O     
717  C CB    . LEU C 19  ? 0.3688 0.7281 0.2210 0.0021  -0.0242 -0.0319 180 LEU C CB    
718  C CG    . LEU C 19  ? 0.3677 0.7260 0.2199 0.0007  -0.0243 -0.0384 180 LEU C CG    
719  C CD1   . LEU C 19  ? 0.4108 0.7608 0.2595 0.0001  -0.0173 -0.0374 180 LEU C CD1   
720  C CD2   . LEU C 19  ? 0.3407 0.6989 0.1856 0.0021  -0.0328 -0.0427 180 LEU C CD2   
721  N N     . LEU C 20  ? 0.3939 0.7627 0.2544 0.0055  -0.0217 -0.0238 181 LEU C N     
722  C CA    . LEU C 20  ? 0.4072 0.7720 0.2680 0.0084  -0.0211 -0.0184 181 LEU C CA    
723  C C     . LEU C 20  ? 0.4357 0.8058 0.3160 0.0115  -0.0244 -0.0183 181 LEU C C     
724  O O     . LEU C 20  ? 0.4363 0.8059 0.3182 0.0150  -0.0295 -0.0145 181 LEU C O     
725  C CB    . LEU C 20  ? 0.3623 0.7180 0.2190 0.0078  -0.0128 -0.0170 181 LEU C CB    
726  C CG    . LEU C 20  ? 0.4379 0.7862 0.2928 0.0107  -0.0117 -0.0124 181 LEU C CG    
727  C CD1   . LEU C 20  ? 0.3612 0.7083 0.2061 0.0109  -0.0169 -0.0076 181 LEU C CD1   
728  C CD2   . LEU C 20  ? 0.3754 0.7117 0.2226 0.0099  -0.0053 -0.0127 181 LEU C CD2   
729  N N     . GLY C 21  ? 0.3873 0.7623 0.2846 0.0103  -0.0216 -0.0222 182 GLY C N     
730  C CA    . GLY C 21  ? 0.3649 0.7474 0.2876 0.0128  -0.0241 -0.0223 182 GLY C CA    
731  C C     . GLY C 21  ? 0.4678 0.8574 0.3957 0.0142  -0.0393 -0.0234 182 GLY C C     
732  O O     . GLY C 21  ? 0.4183 0.8114 0.3601 0.0182  -0.0458 -0.0210 182 GLY C O     
733  N N     . LEU C 22  ? 0.4831 0.8734 0.3991 0.0113  -0.0460 -0.0274 183 LEU C N     
734  C CA    . LEU C 22  ? 0.4162 0.8086 0.3276 0.0130  -0.0620 -0.0290 183 LEU C CA    
735  C C     . LEU C 22  ? 0.4243 0.8106 0.3186 0.0172  -0.0673 -0.0226 183 LEU C C     
736  O O     . LEU C 22  ? 0.4868 0.8748 0.3887 0.0210  -0.0800 -0.0210 183 LEU C O     
737  C CB    . LEU C 22  ? 0.3449 0.7344 0.2368 0.0101  -0.0652 -0.0345 183 LEU C CB    
738  C CG    . LEU C 22  ? 0.4395 0.8337 0.3487 0.0063  -0.0660 -0.0416 183 LEU C CG    
739  C CD1   . LEU C 22  ? 0.3933 0.7825 0.2804 0.0048  -0.0703 -0.0476 183 LEU C CD1   
740  C CD2   . LEU C 22  ? 0.4208 0.8232 0.3597 0.0070  -0.0777 -0.0438 183 LEU C CD2   
741  N N     . LEU C 23  ? 0.4121 0.7907 0.2844 0.0165  -0.0586 -0.0186 184 LEU C N     
742  C CA    . LEU C 23  ? 0.5340 0.9049 0.3883 0.0194  -0.0624 -0.0117 184 LEU C CA    
743  C C     . LEU C 23  ? 0.4289 0.7996 0.3006 0.0237  -0.0636 -0.0070 184 LEU C C     
744  O O     . LEU C 23  ? 0.4681 0.8357 0.3374 0.0279  -0.0746 -0.0028 184 LEU C O     
745  C CB    . LEU C 23  ? 0.3810 0.7446 0.2144 0.0166  -0.0515 -0.0085 184 LEU C CB    
746  C CG    . LEU C 23  ? 0.4925 0.8439 0.3146 0.0136  -0.0478 -0.0114 184 LEU C CG    
747  C CD1   . LEU C 23  ? 0.5249 0.8658 0.3403 0.0108  -0.0361 -0.0076 184 LEU C CD1   
748  C CD2   . LEU C 23  ? 0.4731 0.8152 0.2788 0.0162  -0.0581 -0.0103 184 LEU C CD2   
749  N N     . LEU C 24  ? 0.4268 0.7990 0.3147 0.0233  -0.0525 -0.0078 185 LEU C N     
750  C CA    . LEU C 24  ? 0.4569 0.8272 0.3601 0.0281  -0.0509 -0.0042 185 LEU C CA    
751  C C     . LEU C 24  ? 0.4471 0.8266 0.3774 0.0324  -0.0615 -0.0053 185 LEU C C     
752  O O     . LEU C 24  ? 0.4649 0.8420 0.4036 0.0378  -0.0672 -0.0010 185 LEU C O     
753  C CB    . LEU C 24  ? 0.4629 0.8306 0.3739 0.0272  -0.0358 -0.0060 185 LEU C CB    
754  C CG    . LEU C 24  ? 0.4156 0.7719 0.3031 0.0243  -0.0284 -0.0041 185 LEU C CG    
755  C CD1   . LEU C 24  ? 0.4812 0.8329 0.3715 0.0233  -0.0160 -0.0072 185 LEU C CD1   
756  C CD2   . LEU C 24  ? 0.5111 0.8578 0.3905 0.0275  -0.0314 0.0021  185 LEU C CD2   
757  N N     . ARG C 25  ? 0.3635 0.7532 0.3104 0.0300  -0.0650 -0.0109 186 ARG C N     
758  C CA    . ARG C 25  ? 0.4833 0.8834 0.4625 0.0334  -0.0763 -0.0126 186 ARG C CA    
759  C C     . ARG C 25  ? 0.4750 0.8742 0.4441 0.0351  -0.0978 -0.0125 186 ARG C C     
760  O O     . ARG C 25  ? 0.4635 0.8705 0.4599 0.0383  -0.1112 -0.0138 186 ARG C O     
761  C CB    . ARG C 25  ? 0.3978 0.8092 0.4057 0.0295  -0.0702 -0.0185 186 ARG C CB    
762  C CG    . ARG C 25  ? 0.5099 0.9208 0.5297 0.0291  -0.0496 -0.0182 186 ARG C CG    
763  C CD    . ARG C 25  ? 0.6358 1.0576 0.6881 0.0257  -0.0434 -0.0224 186 ARG C CD    
764  N NE    . ARG C 25  ? 0.4394 0.8635 0.4857 0.0198  -0.0511 -0.0271 186 ARG C NE    
765  C CZ    . ARG C 25  ? 0.5140 0.9316 0.5393 0.0149  -0.0422 -0.0290 186 ARG C CZ    
766  N NH1   . ARG C 25  ? 0.5670 0.9749 0.5733 0.0148  -0.0270 -0.0264 186 ARG C NH1   
767  N NH2   . ARG C 25  ? 0.4938 0.9138 0.5183 0.0103  -0.0499 -0.0339 186 ARG C NH2   
768  N N     . GLY C 26  ? 0.5040 0.8930 0.4349 0.0333  -0.1014 -0.0112 187 GLY C N     
769  C CA    . GLY C 26  ? 0.4818 0.8664 0.3966 0.0351  -0.1211 -0.0119 187 GLY C CA    
770  C C     . GLY C 26  ? 0.5656 0.9581 0.4948 0.0323  -0.1314 -0.0206 187 GLY C C     
771  O O     . GLY C 26  ? 0.5069 0.8988 0.4396 0.0352  -0.1521 -0.0224 187 GLY C O     
772  N N     . ASP C 27  ? 0.4431 0.8414 0.3810 0.0268  -0.1189 -0.0260 188 ASP C N     
773  C CA    . ASP C 27  ? 0.4708 0.8742 0.4197 0.0231  -0.1276 -0.0345 188 ASP C CA    
774  C C     . ASP C 27  ? 0.6054 0.9979 0.5136 0.0210  -0.1293 -0.0383 188 ASP C C     
775  O O     . ASP C 27  ? 0.5041 0.8895 0.3847 0.0202  -0.1161 -0.0350 188 ASP C O     
776  C CB    . ASP C 27  ? 0.4848 0.8985 0.4659 0.0184  -0.1132 -0.0378 188 ASP C CB    
777  C CG    . ASP C 27  ? 0.5118 0.9366 0.5358 0.0207  -0.1102 -0.0352 188 ASP C CG    
778  O OD1   . ASP C 27  ? 0.4376 0.8661 0.4781 0.0252  -0.1265 -0.0342 188 ASP C OD1   
779  O OD2   . ASP C 27  ? 0.5683 0.9969 0.6083 0.0187  -0.0914 -0.0340 188 ASP C OD2   
780  N N     . MET C 28  ? 0.5501 0.9411 0.4567 0.0203  -0.1457 -0.0458 189 MET C N     
781  C CA    . MET C 28  ? 0.5486 0.9262 0.4171 0.0193  -0.1478 -0.0509 189 MET C CA    
782  C C     . MET C 28  ? 0.5979 0.9519 0.4279 0.0223  -0.1403 -0.0426 189 MET C C     
783  O O     . MET C 28  ? 0.5778 0.9190 0.3856 0.0205  -0.1247 -0.0418 189 MET C O     
784  C CB    . MET C 28  ? 0.5418 0.9237 0.4124 0.0141  -0.1324 -0.0561 189 MET C CB    
785  C CG    . MET C 28  ? 0.5921 0.9858 0.5062 0.0097  -0.1318 -0.0608 189 MET C CG    
786  S SD    . MET C 28  ? 0.5517 0.9433 0.4625 0.0040  -0.1190 -0.0678 189 MET C SD    
787  C CE    . MET C 28  ? 0.5556 0.9376 0.4490 0.0045  -0.1409 -0.0793 189 MET C CE    
788  N N     . ARG C 29  ? 0.6361 0.9854 0.4620 0.0270  -0.1520 -0.0363 190 ARG C N     
789  C CA    . ARG C 29  ? 0.6824 1.0101 0.4739 0.0295  -0.1463 -0.0274 190 ARG C CA    
790  C C     . ARG C 29  ? 0.6265 0.9263 0.3792 0.0296  -0.1499 -0.0297 190 ARG C C     
791  O O     . ARG C 29  ? 0.5946 0.8757 0.3165 0.0305  -0.1414 -0.0228 190 ARG C O     
792  C CB    . ARG C 29  ? 0.7258 1.0559 0.5240 0.0349  -0.1598 -0.0199 190 ARG C CB    
793  C CG    . ARG C 29  ? 0.6057 0.9486 0.4158 0.0356  -0.1461 -0.0122 190 ARG C CG    
794  C CD    . ARG C 29  ? 0.8501 1.1973 0.6709 0.0422  -0.1604 -0.0052 190 ARG C CD    
795  N NE    . ARG C 29  ? 0.9437 1.2872 0.7569 0.0431  -0.1468 0.0041  190 ARG C NE    
796  C CZ    . ARG C 29  ? 1.1084 1.4307 0.8879 0.0441  -0.1443 0.0125  190 ARG C CZ    
797  N NH1   . ARG C 29  ? 0.9659 1.2643 0.7141 0.0444  -0.1523 0.0132  190 ARG C NH1   
798  N NH2   . ARG C 29  ? 1.1184 1.4410 0.8954 0.0443  -0.1328 0.0205  190 ARG C NH2   
799  N N     . GLU C 30  ? 0.5384 0.8349 0.2921 0.0285  -0.1620 -0.0391 191 GLU C N     
800  C CA    . GLU C 30  ? 0.7349 1.0049 0.4500 0.0284  -0.1633 -0.0428 191 GLU C CA    
801  C C     . GLU C 30  ? 0.6508 0.9202 0.3594 0.0253  -0.1421 -0.0469 191 GLU C C     
802  O O     . GLU C 30  ? 0.7449 0.9932 0.4203 0.0257  -0.1378 -0.0491 191 GLU C O     
803  C CB    . GLU C 30  ? 0.7137 0.9781 0.4316 0.0285  -0.1878 -0.0517 191 GLU C CB    
804  C CG    . GLU C 30  ? 0.7901 1.0726 0.5398 0.0247  -0.1888 -0.0626 191 GLU C CG    
805  C CD    . GLU C 30  ? 0.8074 1.1219 0.6087 0.0235  -0.1929 -0.0629 191 GLU C CD    
806  O OE1   . GLU C 30  ? 0.6966 1.0224 0.5104 0.0259  -0.1891 -0.0545 191 GLU C OE1   
807  O OE2   . GLU C 30  ? 0.8299 1.1581 0.6600 0.0201  -0.1998 -0.0717 191 GLU C OE2   
808  N N     . CYS C 31  ? 0.6477 0.9391 0.3864 0.0223  -0.1290 -0.0479 192 CYS C N     
809  C CA    . CYS C 31  ? 0.5951 0.8876 0.3330 0.0195  -0.1114 -0.0519 192 CYS C CA    
810  C C     . CYS C 31  ? 0.5528 0.8490 0.2925 0.0183  -0.0911 -0.0439 192 CYS C C     
811  O O     . CYS C 31  ? 0.5391 0.8301 0.2703 0.0171  -0.0771 -0.0453 192 CYS C O     
812  C CB    . CYS C 31  ? 0.6112 0.9232 0.3805 0.0161  -0.1139 -0.0602 192 CYS C CB    
813  S SG    . CYS C 31  ? 0.6267 0.9375 0.4037 0.0163  -0.1404 -0.0704 192 CYS C SG    
814  N N     . VAL C 32  ? 0.4751 0.7802 0.2268 0.0187  -0.0902 -0.0360 193 VAL C N     
815  C CA    . VAL C 32  ? 0.4673 0.7741 0.2210 0.0172  -0.0735 -0.0286 193 VAL C CA    
816  C C     . VAL C 32  ? 0.4637 0.7707 0.2165 0.0196  -0.0787 -0.0197 193 VAL C C     
817  O O     . VAL C 32  ? 0.5480 0.8631 0.3121 0.0219  -0.0932 -0.0201 193 VAL C O     
818  C CB    . VAL C 32  ? 0.6176 0.9412 0.3980 0.0137  -0.0633 -0.0312 193 VAL C CB    
819  C CG1   . VAL C 32  ? 0.4866 0.8285 0.2915 0.0138  -0.0705 -0.0314 193 VAL C CG1   
820  C CG2   . VAL C 32  ? 0.4949 0.8162 0.2750 0.0119  -0.0476 -0.0252 193 VAL C CG2   
821  N N     . TRP C 33  ? 0.4710 0.7698 0.2116 0.0192  -0.0678 -0.0118 194 TRP C N     
822  C CA    . TRP C 33  ? 0.4818 0.7784 0.2184 0.0215  -0.0722 -0.0026 194 TRP C CA    
823  C C     . TRP C 33  ? 0.4659 0.7614 0.2024 0.0188  -0.0566 0.0043  194 TRP C C     
824  O O     . TRP C 33  ? 0.5078 0.8003 0.2406 0.0158  -0.0440 0.0030  194 TRP C O     
825  C CB    . TRP C 33  ? 0.5233 0.8001 0.2294 0.0251  -0.0834 0.0012  194 TRP C CB    
826  C CG    . TRP C 33  ? 0.5934 0.8519 0.2704 0.0241  -0.0744 0.0002  194 TRP C CG    
827  C CD1   . TRP C 33  ? 0.5524 0.8028 0.2153 0.0221  -0.0582 0.0063  194 TRP C CD1   
828  C CD2   . TRP C 33  ? 0.6711 0.9174 0.3293 0.0251  -0.0811 -0.0076 194 TRP C CD2   
829  N NE1   . TRP C 33  ? 0.6317 0.8665 0.2681 0.0223  -0.0527 0.0028  194 TRP C NE1   
830  C CE2   . TRP C 33  ? 0.5935 0.8242 0.2247 0.0243  -0.0667 -0.0059 194 TRP C CE2   
831  C CE3   . TRP C 33  ? 0.7119 0.9592 0.3740 0.0266  -0.0981 -0.0161 194 TRP C CE3   
832  C CZ2   . TRP C 33  ? 0.7239 0.9385 0.3291 0.0254  -0.0680 -0.0127 194 TRP C CZ2   
833  C CZ3   . TRP C 33  ? 0.7211 0.9514 0.3573 0.0271  -0.1012 -0.0229 194 TRP C CZ3   
834  C CH2   . TRP C 33  ? 0.7030 0.9165 0.3096 0.0267  -0.0858 -0.0213 194 TRP C CH2   
835  N N     . TRP C 34  ? 0.4891 0.7881 0.2311 0.0202  -0.0588 0.0115  195 TRP C N     
836  C CA    . TRP C 34  ? 0.4595 0.7551 0.1982 0.0176  -0.0470 0.0191  195 TRP C CA    
837  C C     . TRP C 34  ? 0.6303 0.9078 0.3391 0.0176  -0.0428 0.0259  195 TRP C C     
838  O O     . TRP C 34  ? 0.5195 0.7843 0.2073 0.0213  -0.0531 0.0288  195 TRP C O     
839  C CB    . TRP C 34  ? 0.4525 0.7543 0.2009 0.0199  -0.0520 0.0252  195 TRP C CB    
840  C CG    . TRP C 34  ? 0.5411 0.8597 0.3153 0.0201  -0.0525 0.0196  195 TRP C CG    
841  C CD1   . TRP C 34  ? 0.4537 0.7848 0.2416 0.0246  -0.0636 0.0176  195 TRP C CD1   
842  C CD2   . TRP C 34  ? 0.4905 0.8153 0.2786 0.0162  -0.0416 0.0158  195 TRP C CD2   
843  N NE1   . TRP C 34  ? 0.5136 0.8548 0.3229 0.0234  -0.0572 0.0127  195 TRP C NE1   
844  C CE2   . TRP C 34  ? 0.5052 0.8434 0.3105 0.0184  -0.0450 0.0118  195 TRP C CE2   
845  C CE3   . TRP C 34  ? 0.5003 0.8210 0.2880 0.0113  -0.0301 0.0156  195 TRP C CE3   
846  C CZ2   . TRP C 34  ? 0.4623 0.8052 0.2792 0.0160  -0.0367 0.0076  195 TRP C CZ2   
847  C CZ3   . TRP C 34  ? 0.6002 0.9268 0.4028 0.0090  -0.0246 0.0113  195 TRP C CZ3   
848  C CH2   . TRP C 34  ? 0.4292 0.7644 0.2440 0.0113  -0.0276 0.0074  195 TRP C CH2   
849  N N     . VAL C 35  ? 0.4898 0.7661 0.1961 0.0135  -0.0278 0.0282  196 VAL C N     
850  C CA    . VAL C 35  ? 0.5200 0.7814 0.1996 0.0128  -0.0196 0.0367  196 VAL C CA    
851  C C     . VAL C 35  ? 0.5634 0.8246 0.2434 0.0111  -0.0160 0.0482  196 VAL C C     
852  O O     . VAL C 35  ? 0.6904 0.9370 0.3470 0.0127  -0.0179 0.0579  196 VAL C O     
853  C CB    . VAL C 35  ? 0.5401 0.8025 0.2179 0.0096  -0.0042 0.0330  196 VAL C CB    
854  C CG1   . VAL C 35  ? 0.5686 0.8198 0.2244 0.0077  0.0092  0.0433  196 VAL C CG1   
855  C CG2   . VAL C 35  ? 0.6690 0.9251 0.3360 0.0123  -0.0086 0.0234  196 VAL C CG2   
856  N N     . GLU C 36  ? 0.5472 0.8227 0.2513 0.0076  -0.0113 0.0476  197 GLU C N     
857  C CA    . GLU C 36  ? 0.4928 0.7695 0.1999 0.0059  -0.0103 0.0574  197 GLU C CA    
858  C C     . GLU C 36  ? 0.6050 0.8946 0.3368 0.0065  -0.0164 0.0511  197 GLU C C     
859  O O     . GLU C 36  ? 0.4505 0.7495 0.1984 0.0025  -0.0101 0.0467  197 GLU C O     
860  C CB    . GLU C 36  ? 0.6572 0.9365 0.3641 -0.0006 0.0052  0.0642  197 GLU C CB    
861  C CG    . GLU C 36  ? 0.6967 0.9666 0.3835 -0.0019 0.0172  0.0676  197 GLU C CG    
862  C CD    . GLU C 36  ? 0.7946 1.0687 0.4834 -0.0086 0.0333  0.0780  197 GLU C CD    
863  O OE1   . GLU C 36  ? 0.9393 1.2074 0.6339 -0.0109 0.0314  0.0871  197 GLU C OE1   
864  O OE2   . GLU C 36  ? 0.7830 1.0623 0.4746 -0.0117 0.0475  0.0761  197 GLU C OE2   
865  N N     . PRO C 37  ? 0.5891 0.8792 0.3236 0.0119  -0.0288 0.0507  198 PRO C N     
866  C CA    . PRO C 37  ? 0.4978 0.7997 0.2543 0.0133  -0.0326 0.0434  198 PRO C CA    
867  C C     . PRO C 37  ? 0.4847 0.7823 0.2561 0.0102  -0.0268 0.0447  198 PRO C C     
868  O O     . PRO C 37  ? 0.5146 0.8185 0.3002 0.0085  -0.0235 0.0374  198 PRO C O     
869  C CB    . PRO C 37  ? 0.5633 0.8629 0.3233 0.0203  -0.0458 0.0443  198 PRO C CB    
870  C CG    . PRO C 37  ? 0.4965 0.7870 0.2300 0.0226  -0.0523 0.0511  198 PRO C CG    
871  C CD    . PRO C 37  ? 0.4879 0.7678 0.2053 0.0172  -0.0398 0.0579  198 PRO C CD    
872  N N     . GLY C 38  ? 0.5554 0.8401 0.3222 0.0095  -0.0263 0.0541  199 GLY C N     
873  C CA    . GLY C 38  ? 0.4867 0.7648 0.2669 0.0061  -0.0224 0.0549  199 GLY C CA    
874  C C     . GLY C 38  ? 0.6150 0.8992 0.4022 -0.0007 -0.0139 0.0511  199 GLY C C     
875  O O     . GLY C 38  ? 0.4800 0.7620 0.2805 -0.0027 -0.0136 0.0468  199 GLY C O     
876  N N     . ALA C 39  ? 0.6235 0.9142 0.4016 -0.0036 -0.0073 0.0523  200 ALA C N     
877  C CA    . ALA C 39  ? 0.5581 0.8566 0.3468 -0.0092 0.0006  0.0485  200 ALA C CA    
878  C C     . ALA C 39  ? 0.5142 0.8250 0.3077 -0.0077 -0.0006 0.0376  200 ALA C C     
879  O O     . ALA C 39  ? 0.5272 0.8443 0.3312 -0.0113 0.0040  0.0334  200 ALA C O     
880  C CB    . ALA C 39  ? 0.4341 0.7328 0.2128 -0.0130 0.0113  0.0556  200 ALA C CB    
881  N N     . GLY C 40  ? 0.4162 0.7301 0.2045 -0.0024 -0.0071 0.0331  201 GLY C N     
882  C CA    . GLY C 40  ? 0.4071 0.7280 0.2038 -0.0014 -0.0078 0.0233  201 GLY C CA    
883  C C     . GLY C 40  ? 0.4542 0.7758 0.2476 -0.0018 -0.0039 0.0202  201 GLY C C     
884  O O     . GLY C 40  ? 0.4781 0.8037 0.2811 -0.0020 -0.0032 0.0126  201 GLY C O     
885  N N     . VAL C 41  ? 0.4040 0.7198 0.1815 -0.0015 -0.0012 0.0260  202 VAL C N     
886  C CA    . VAL C 41  ? 0.4502 0.7641 0.2196 -0.0016 0.0044  0.0231  202 VAL C CA    
887  C C     . VAL C 41  ? 0.4320 0.7391 0.1921 0.0030  -0.0042 0.0189  202 VAL C C     
888  O O     . VAL C 41  ? 0.4649 0.7646 0.2126 0.0060  -0.0115 0.0237  202 VAL C O     
889  C CB    . VAL C 41  ? 0.5135 0.8227 0.2670 -0.0039 0.0147  0.0321  202 VAL C CB    
890  C CG1   . VAL C 41  ? 0.5126 0.8194 0.2571 -0.0033 0.0227  0.0279  202 VAL C CG1   
891  C CG2   . VAL C 41  ? 0.5712 0.8906 0.3359 -0.0095 0.0222  0.0376  202 VAL C CG2   
892  N N     . PHE C 42  ? 0.4164 0.7264 0.1819 0.0036  -0.0045 0.0102  203 PHE C N     
893  C CA    . PHE C 42  ? 0.4261 0.7314 0.1837 0.0071  -0.0138 0.0052  203 PHE C CA    
894  C C     . PHE C 42  ? 0.4390 0.7393 0.1852 0.0075  -0.0090 -0.0003 203 PHE C C     
895  O O     . PHE C 42  ? 0.4674 0.7714 0.2171 0.0053  0.0019  -0.0012 203 PHE C O     
896  C CB    . PHE C 42  ? 0.4672 0.7826 0.2447 0.0078  -0.0214 -0.0008 203 PHE C CB    
897  C CG    . PHE C 42  ? 0.3841 0.7072 0.1782 0.0053  -0.0160 -0.0073 203 PHE C CG    
898  C CD1   . PHE C 42  ? 0.3694 0.6967 0.1748 0.0026  -0.0098 -0.0055 203 PHE C CD1   
899  C CD2   . PHE C 42  ? 0.4432 0.7685 0.2401 0.0058  -0.0188 -0.0151 203 PHE C CD2   
900  C CE1   . PHE C 42  ? 0.3543 0.6869 0.1723 0.0009  -0.0068 -0.0110 203 PHE C CE1   
901  C CE2   . PHE C 42  ? 0.4046 0.7360 0.2151 0.0039  -0.0147 -0.0204 203 PHE C CE2   
902  C CZ    . PHE C 42  ? 0.3548 0.6892 0.1753 0.0016  -0.0089 -0.0181 203 PHE C CZ    
903  N N     . GLN C 43  ? 0.4746 0.7671 0.2071 0.0106  -0.0180 -0.0045 204 GLN C N     
904  C CA    . GLN C 43  ? 0.5790 0.8625 0.2938 0.0119  -0.0146 -0.0099 204 GLN C CA    
905  C C     . GLN C 43  ? 0.5077 0.7895 0.2209 0.0140  -0.0278 -0.0183 204 GLN C C     
906  O O     . GLN C 43  ? 0.4836 0.7656 0.1980 0.0157  -0.0411 -0.0175 204 GLN C O     
907  C CB    . GLN C 43  ? 0.5914 0.8571 0.2735 0.0135  -0.0095 -0.0034 204 GLN C CB    
908  C CG    . GLN C 43  ? 0.6218 0.8733 0.2780 0.0158  -0.0061 -0.0092 204 GLN C CG    
909  C CD    . GLN C 43  ? 0.6072 0.8369 0.2253 0.0175  -0.0006 -0.0019 204 GLN C CD    
910  O OE1   . GLN C 43  ? 0.6006 0.8215 0.2060 0.0184  -0.0082 0.0058  204 GLN C OE1   
911  N NE2   . GLN C 43  ? 0.6086 0.8295 0.2083 0.0181  0.0138  -0.0039 204 GLN C NE2   
912  N N     . PHE C 44  ? 0.4849 0.7654 0.1950 0.0143  -0.0246 -0.0265 205 PHE C N     
913  C CA    . PHE C 44  ? 0.4923 0.7706 0.2000 0.0158  -0.0370 -0.0355 205 PHE C CA    
914  C C     . PHE C 44  ? 0.5742 0.8310 0.2458 0.0191  -0.0429 -0.0372 205 PHE C C     
915  O O     . PHE C 44  ? 0.6455 0.8890 0.2926 0.0202  -0.0321 -0.0338 205 PHE C O     
916  C CB    . PHE C 44  ? 0.5143 0.8014 0.2369 0.0145  -0.0316 -0.0441 205 PHE C CB    
917  C CG    . PHE C 44  ? 0.5579 0.8629 0.3124 0.0113  -0.0298 -0.0438 205 PHE C CG    
918  C CD1   . PHE C 44  ? 0.5363 0.8506 0.3070 0.0104  -0.0405 -0.0464 205 PHE C CD1   
919  C CD2   . PHE C 44  ? 0.4478 0.7599 0.2147 0.0094  -0.0176 -0.0410 205 PHE C CD2   
920  C CE1   . PHE C 44  ? 0.3975 0.7255 0.1926 0.0077  -0.0373 -0.0458 205 PHE C CE1   
921  C CE2   . PHE C 44  ? 0.4374 0.7614 0.2278 0.0068  -0.0169 -0.0406 205 PHE C CE2   
922  C CZ    . PHE C 44  ? 0.3833 0.7139 0.1860 0.0061  -0.0258 -0.0428 205 PHE C CZ    
923  N N     . SER C 45  ? 0.5536 0.8064 0.2212 0.0205  -0.0604 -0.0428 206 SER C N     
924  C CA    . SER C 45  ? 0.5939 0.8236 0.2252 0.0234  -0.0699 -0.0462 206 SER C CA    
925  C C     . SER C 45  ? 0.6477 0.8697 0.2656 0.0240  -0.0616 -0.0553 206 SER C C     
926  O O     . SER C 45  ? 0.6321 0.8675 0.2729 0.0226  -0.0611 -0.0629 206 SER C O     
927  C CB    . SER C 45  ? 0.6493 0.8792 0.2860 0.0242  -0.0937 -0.0506 206 SER C CB    
928  O OG    . SER C 45  ? 0.7602 0.9668 0.3628 0.0261  -0.1058 -0.0564 206 SER C OG    
929  N N     . SER C 46  ? 0.6448 0.8447 0.2245 0.0262  -0.0543 -0.0543 207 SER C N     
930  C CA    . SER C 46  ? 0.6623 0.8538 0.2269 0.0276  -0.0460 -0.0638 207 SER C CA    
931  C C     . SER C 46  ? 0.7160 0.9001 0.2745 0.0283  -0.0647 -0.0755 207 SER C C     
932  O O     . SER C 46  ? 0.8086 0.9960 0.3732 0.0287  -0.0611 -0.0854 207 SER C O     
933  C CB    . SER C 46  ? 0.7331 0.9010 0.2553 0.0297  -0.0321 -0.0603 207 SER C CB    
934  O OG    . SER C 46  ? 0.7808 0.9401 0.2875 0.0317  -0.0238 -0.0705 207 SER C OG    
935  N N     . LYS C 47  ? 0.7418 0.9176 0.2919 0.0281  -0.0859 -0.0750 208 LYS C N     
936  C CA    . LYS C 47  ? 0.8404 1.0076 0.3836 0.0280  -0.1055 -0.0864 208 LYS C CA    
937  C C     . LYS C 47  ? 0.7212 0.9121 0.3088 0.0256  -0.1192 -0.0908 208 LYS C C     
938  O O     . LYS C 47  ? 0.8727 1.0641 0.4675 0.0247  -0.1284 -0.1021 208 LYS C O     
939  C CB    . LYS C 47  ? 0.7870 0.9298 0.2938 0.0283  -0.1240 -0.0845 208 LYS C CB    
940  C CG    . LYS C 47  ? 0.9721 1.0895 0.4302 0.0293  -0.1112 -0.0787 208 LYS C CG    
941  C CD    . LYS C 47  ? 1.1140 1.2131 0.5396 0.0300  -0.1035 -0.0891 208 LYS C CD    
942  C CE    . LYS C 47  ? 1.1291 1.2127 0.5197 0.0308  -0.0786 -0.0831 208 LYS C CE    
943  N NZ    . LYS C 47  ? 1.1475 1.2275 0.5288 0.0298  -0.0751 -0.0684 208 LYS C NZ    
944  N N     . HIS C 48  ? 0.6429 0.8535 0.2607 0.0242  -0.1192 -0.0827 209 HIS C N     
945  C CA    . HIS C 48  ? 0.6808 0.9132 0.3387 0.0216  -0.1324 -0.0861 209 HIS C CA    
946  C C     . HIS C 48  ? 0.6503 0.9082 0.3440 0.0189  -0.1168 -0.0841 209 HIS C C     
947  O O     . HIS C 48  ? 0.6413 0.9191 0.3681 0.0164  -0.1237 -0.0841 209 HIS C O     
948  C CB    . HIS C 48  ? 0.7393 0.9741 0.4043 0.0223  -0.1492 -0.0795 209 HIS C CB    
949  C CG    . HIS C 48  ? 0.7933 1.0018 0.4223 0.0243  -0.1671 -0.0801 209 HIS C CG    
950  N ND1   . HIS C 48  ? 0.8134 1.0051 0.4115 0.0265  -0.1657 -0.0703 209 HIS C ND1   
951  C CD2   . HIS C 48  ? 0.8396 1.0354 0.4580 0.0234  -0.1877 -0.0891 209 HIS C CD2   
952  C CE1   . HIS C 48  ? 0.8678 1.0373 0.4355 0.0266  -0.1842 -0.0727 209 HIS C CE1   
953  N NE2   . HIS C 48  ? 0.9239 1.0958 0.5038 0.0247  -0.1982 -0.0843 209 HIS C NE2   
954  N N     . LYS C 49  ? 0.6130 0.8706 0.3010 0.0191  -0.0965 -0.0827 210 LYS C N     
955  C CA    . LYS C 49  ? 0.5771 0.8559 0.2960 0.0162  -0.0831 -0.0798 210 LYS C CA    
956  C C     . LYS C 49  ? 0.6229 0.9141 0.3650 0.0133  -0.0875 -0.0893 210 LYS C C     
957  O O     . LYS C 49  ? 0.6001 0.9096 0.3700 0.0101  -0.0832 -0.0871 210 LYS C O     
958  C CB    . LYS C 49  ? 0.6041 0.8795 0.3133 0.0170  -0.0627 -0.0757 210 LYS C CB    
959  C CG    . LYS C 49  ? 0.5353 0.7982 0.2241 0.0194  -0.0571 -0.0843 210 LYS C CG    
960  C CD    . LYS C 49  ? 0.6613 0.9243 0.3449 0.0205  -0.0367 -0.0797 210 LYS C CD    
961  C CE    . LYS C 49  ? 0.6038 0.8571 0.2701 0.0236  -0.0292 -0.0891 210 LYS C CE    
962  N NZ    . LYS C 49  ? 0.6023 0.8304 0.2290 0.0269  -0.0362 -0.0936 210 LYS C NZ    
963  N N     . GLU C 50  ? 0.5547 0.8348 0.2844 0.0142  -0.0965 -0.1001 211 GLU C N     
964  C CA    . GLU C 50  ? 0.5055 0.7967 0.2576 0.0111  -0.1002 -0.1094 211 GLU C CA    
965  C C     . GLU C 50  ? 0.6139 0.9209 0.3955 0.0072  -0.1156 -0.1106 211 GLU C C     
966  O O     . GLU C 50  ? 0.5821 0.9040 0.3895 0.0030  -0.1157 -0.1150 211 GLU C O     
967  C CB    . GLU C 50  ? 0.6519 0.9261 0.3839 0.0131  -0.1069 -0.1218 211 GLU C CB    
968  C CG    . GLU C 50  ? 0.7535 1.0114 0.4542 0.0177  -0.0922 -0.1221 211 GLU C CG    
969  C CD    . GLU C 50  ? 0.7199 0.9890 0.4346 0.0175  -0.0752 -0.1232 211 GLU C CD    
970  O OE1   . GLU C 50  ? 0.6616 0.9436 0.4013 0.0142  -0.0787 -0.1282 211 GLU C OE1   
971  O OE2   . GLU C 50  ? 0.7378 1.0029 0.4395 0.0205  -0.0591 -0.1189 211 GLU C OE2   
972  N N     . LEU C 51  ? 0.5648 0.8694 0.3444 0.0083  -0.1286 -0.1066 212 LEU C N     
973  C CA    . LEU C 51  ? 0.5988 0.9223 0.4127 0.0049  -0.1426 -0.1071 212 LEU C CA    
974  C C     . LEU C 51  ? 0.5660 0.9120 0.4049 0.0024  -0.1290 -0.0990 212 LEU C C     
975  O O     . LEU C 51  ? 0.6613 1.0261 0.5324 -0.0024 -0.1305 -0.1017 212 LEU C O     
976  C CB    . LEU C 51  ? 0.5230 0.8380 0.3295 0.0077  -0.1606 -0.1042 212 LEU C CB    
977  C CG    . LEU C 51  ? 0.7075 1.0427 0.5546 0.0052  -0.1776 -0.1049 212 LEU C CG    
978  C CD1   . LEU C 51  ? 0.7965 1.1384 0.6707 0.0002  -0.1902 -0.1168 212 LEU C CD1   
979  C CD2   . LEU C 51  ? 0.6664 0.9901 0.5033 0.0091  -0.1961 -0.1011 212 LEU C CD2   
980  N N     . LEU C 52  ? 0.5338 0.8761 0.3582 0.0050  -0.1152 -0.0890 213 LEU C N     
981  C CA    . LEU C 52  ? 0.5022 0.8609 0.3441 0.0029  -0.1013 -0.0818 213 LEU C CA    
982  C C     . LEU C 52  ? 0.5258 0.8894 0.3749 -0.0004 -0.0901 -0.0858 213 LEU C C     
983  O O     . LEU C 52  ? 0.4311 0.8051 0.3035 -0.0037 -0.0831 -0.0825 213 LEU C O     
984  C CB    . LEU C 52  ? 0.5363 0.8858 0.3604 0.0061  -0.0897 -0.0715 213 LEU C CB    
985  C CG    . LEU C 52  ? 0.4147 0.7752 0.2512 0.0048  -0.0764 -0.0634 213 LEU C CG    
986  C CD1   . LEU C 52  ? 0.4953 0.8472 0.3180 0.0079  -0.0738 -0.0543 213 LEU C CD1   
987  C CD2   . LEU C 52  ? 0.4654 0.8235 0.3012 0.0030  -0.0614 -0.0637 213 LEU C CD2   
988  N N     . ALA C 53  ? 0.5743 0.9235 0.4055 0.0011  -0.0857 -0.0909 214 ALA C N     
989  C CA    . ALA C 53  ? 0.5252 0.8778 0.3630 -0.0012 -0.0768 -0.0950 214 ALA C CA    
990  C C     . ALA C 53  ? 0.4976 0.8576 0.3626 -0.0061 -0.0848 -0.1007 214 ALA C C     
991  O O     . ALA C 53  ? 0.5221 0.8855 0.4074 -0.0095 -0.0753 -0.0962 214 ALA C O     
992  C CB    . ALA C 53  ? 0.4320 0.7683 0.2481 0.0022  -0.0727 -0.1009 214 ALA C CB    
993  N N     . ARG C 54  ? 0.4356 0.7923 0.3044 -0.0068 -0.1012 -0.1086 215 ARG C N     
994  C CA    . ARG C 54  ? 0.5923 0.9510 0.4947 -0.0123 -0.1076 -0.1123 215 ARG C CA    
995  C C     . ARG C 54  ? 0.5633 0.9339 0.4982 -0.0157 -0.1025 -0.1028 215 ARG C C     
996  O O     . ARG C 54  ? 0.4014 0.7741 0.3624 -0.0205 -0.0950 -0.1007 215 ARG C O     
997  C CB    . ARG C 54  ? 0.5469 0.8995 0.4487 -0.0124 -0.1289 -0.1229 215 ARG C CB    
998  C CG    . ARG C 54  ? 0.7713 1.1096 0.6542 -0.0113 -0.1331 -0.1351 215 ARG C CG    
999  C CD    . ARG C 54  ? 0.7147 1.0406 0.5519 -0.0042 -0.1353 -0.1395 215 ARG C CD    
1000 N NE    . ARG C 54  ? 0.8397 1.1467 0.6599 -0.0024 -0.1435 -0.1522 215 ARG C NE    
1001 C CZ    . ARG C 54  ? 0.9857 1.2811 0.8044 -0.0029 -0.1641 -0.1606 215 ARG C CZ    
1002 N NH1   . ARG C 54  ? 0.9660 1.2679 0.8025 -0.0050 -0.1798 -0.1576 215 ARG C NH1   
1003 N NH2   . ARG C 54  ? 0.9907 1.2666 0.7906 -0.0009 -0.1700 -0.1725 215 ARG C NH2   
1004 N N     . ARG C 55  ? 0.4763 0.8534 0.4087 -0.0128 -0.1052 -0.0968 216 ARG C N     
1005 C CA    . ARG C 55  ? 0.5102 0.8981 0.4720 -0.0146 -0.0983 -0.0881 216 ARG C CA    
1006 C C     . ARG C 55  ? 0.5800 0.9673 0.5412 -0.0158 -0.0779 -0.0809 216 ARG C C     
1007 O O     . ARG C 55  ? 0.5321 0.9237 0.5194 -0.0190 -0.0689 -0.0762 216 ARG C O     
1008 C CB    . ARG C 55  ? 0.4543 0.8467 0.4084 -0.0099 -0.1050 -0.0831 216 ARG C CB    
1009 C CG    . ARG C 55  ? 0.6409 1.0447 0.6292 -0.0105 -0.1019 -0.0763 216 ARG C CG    
1010 C CD    . ARG C 55  ? 0.6957 1.1068 0.7234 -0.0141 -0.1154 -0.0810 216 ARG C CD    
1011 N NE    . ARG C 55  ? 0.6242 1.0323 0.6433 -0.0115 -0.1394 -0.0876 216 ARG C NE    
1012 C CZ    . ARG C 55  ? 0.7635 1.1757 0.7864 -0.0071 -0.1518 -0.0846 216 ARG C CZ    
1013 N NH1   . ARG C 55  ? 0.7499 1.1702 0.7866 -0.0046 -0.1417 -0.0757 216 ARG C NH1   
1014 N NH2   . ARG C 55  ? 0.7061 1.1123 0.7176 -0.0047 -0.1757 -0.0910 216 ARG C NH2   
1015 N N     . TRP C 56  ? 0.4753 0.8564 0.4069 -0.0130 -0.0703 -0.0800 217 TRP C N     
1016 C CA    . TRP C 56  ? 0.5173 0.8955 0.4461 -0.0138 -0.0544 -0.0743 217 TRP C CA    
1017 C C     . TRP C 56  ? 0.4970 0.8696 0.4393 -0.0180 -0.0505 -0.0772 217 TRP C C     
1018 O O     . TRP C 56  ? 0.4314 0.8021 0.3846 -0.0202 -0.0396 -0.0714 217 TRP C O     
1019 C CB    . TRP C 56  ? 0.4248 0.7985 0.3240 -0.0101 -0.0496 -0.0736 217 TRP C CB    
1020 C CG    . TRP C 56  ? 0.4628 0.8316 0.3576 -0.0105 -0.0374 -0.0698 217 TRP C CG    
1021 C CD1   . TRP C 56  ? 0.4848 0.8479 0.3678 -0.0094 -0.0346 -0.0734 217 TRP C CD1   
1022 C CD2   . TRP C 56  ? 0.3179 0.6853 0.2188 -0.0114 -0.0278 -0.0621 217 TRP C CD2   
1023 N NE1   . TRP C 56  ? 0.4340 0.7929 0.3171 -0.0097 -0.0260 -0.0681 217 TRP C NE1   
1024 C CE2   . TRP C 56  ? 0.4082 0.7682 0.2992 -0.0110 -0.0218 -0.0613 217 TRP C CE2   
1025 C CE3   . TRP C 56  ? 0.4552 0.8257 0.3684 -0.0119 -0.0237 -0.0562 217 TRP C CE3   
1026 C CZ2   . TRP C 56  ? 0.4455 0.7993 0.3348 -0.0112 -0.0138 -0.0550 217 TRP C CZ2   
1027 C CZ3   . TRP C 56  ? 0.3419 0.7060 0.2522 -0.0119 -0.0132 -0.0503 217 TRP C CZ3   
1028 C CH2   . TRP C 56  ? 0.4522 0.8070 0.3486 -0.0116 -0.0093 -0.0498 217 TRP C CH2   
1029 N N     . GLY C 57  ? 0.4384 0.8059 0.3768 -0.0186 -0.0589 -0.0861 218 GLY C N     
1030 C CA    . GLY C 57  ? 0.4691 0.8298 0.4217 -0.0227 -0.0565 -0.0889 218 GLY C CA    
1031 C C     . GLY C 57  ? 0.5766 0.9416 0.5627 -0.0282 -0.0552 -0.0854 218 GLY C C     
1032 O O     . GLY C 57  ? 0.5245 0.8844 0.5213 -0.0315 -0.0442 -0.0803 218 GLY C O     
1033 N N     . GLN C 58  ? 0.4945 0.8684 0.4980 -0.0291 -0.0659 -0.0875 219 GLN C N     
1034 C CA    . GLN C 58  ? 0.4613 0.8417 0.5034 -0.0344 -0.0642 -0.0844 219 GLN C CA    
1035 C C     . GLN C 58  ? 0.4170 0.8006 0.4649 -0.0340 -0.0464 -0.0735 219 GLN C C     
1036 O O     . GLN C 58  ? 0.4091 0.7903 0.4770 -0.0384 -0.0345 -0.0686 219 GLN C O     
1037 C CB    . GLN C 58  ? 0.4513 0.8417 0.5127 -0.0343 -0.0814 -0.0888 219 GLN C CB    
1038 C CG    . GLN C 58  ? 0.5019 0.8865 0.5576 -0.0348 -0.1013 -0.1008 219 GLN C CG    
1039 C CD    . GLN C 58  ? 0.6618 1.0544 0.7350 -0.0343 -0.1210 -0.1049 219 GLN C CD    
1040 O OE1   . GLN C 58  ? 0.7233 1.1225 0.7893 -0.0296 -0.1236 -0.1006 219 GLN C OE1   
1041 N NE2   . GLN C 58  ? 0.6188 1.0098 0.7164 -0.0390 -0.1364 -0.1131 219 GLN C NE2   
1042 N N     . GLN C 59  ? 0.4348 0.8217 0.4633 -0.0286 -0.0437 -0.0695 220 GLN C N     
1043 C CA    . GLN C 59  ? 0.3588 0.7462 0.3872 -0.0270 -0.0280 -0.0603 220 GLN C CA    
1044 C C     . GLN C 59  ? 0.4973 0.8721 0.5157 -0.0290 -0.0131 -0.0558 220 GLN C C     
1045 O O     . GLN C 59  ? 0.4249 0.7973 0.4537 -0.0303 0.0012  -0.0491 220 GLN C O     
1046 C CB    . GLN C 59  ? 0.3873 0.7758 0.3892 -0.0211 -0.0294 -0.0581 220 GLN C CB    
1047 C CG    . GLN C 59  ? 0.4462 0.8299 0.4373 -0.0187 -0.0142 -0.0503 220 GLN C CG    
1048 C CD    . GLN C 59  ? 0.4986 0.8904 0.5120 -0.0172 -0.0090 -0.0459 220 GLN C CD    
1049 O OE1   . GLN C 59  ? 0.4798 0.8812 0.5034 -0.0149 -0.0195 -0.0473 220 GLN C OE1   
1050 N NE2   . GLN C 59  ? 0.4084 0.7949 0.4285 -0.0181 0.0075  -0.0405 220 GLN C NE2   
1051 N N     . LYS C 60  ? 0.3902 0.7555 0.3877 -0.0288 -0.0161 -0.0594 221 LYS C N     
1052 C CA    . LYS C 60  ? 0.5117 0.8630 0.4963 -0.0297 -0.0053 -0.0551 221 LYS C CA    
1053 C C     . LYS C 60  ? 0.4742 0.8183 0.4764 -0.0353 -0.0043 -0.0566 221 LYS C C     
1054 O O     . LYS C 60  ? 0.5348 0.8650 0.5282 -0.0365 0.0048  -0.0519 221 LYS C O     
1055 C CB    . LYS C 60  ? 0.5010 0.8459 0.4563 -0.0257 -0.0090 -0.0576 221 LYS C CB    
1056 C CG    . LYS C 60  ? 0.4420 0.7893 0.3779 -0.0210 -0.0067 -0.0540 221 LYS C CG    
1057 C CD    . LYS C 60  ? 0.5213 0.8562 0.4428 -0.0199 0.0040  -0.0468 221 LYS C CD    
1058 C CE    . LYS C 60  ? 0.5048 0.8258 0.4167 -0.0205 0.0047  -0.0469 221 LYS C CE    
1059 N NZ    . LYS C 60  ? 0.4082 0.7291 0.3054 -0.0171 -0.0022 -0.0508 221 LYS C NZ    
1060 N N     . GLY C 61  ? 0.5140 0.8655 0.5403 -0.0388 -0.0146 -0.0629 222 GLY C N     
1061 C CA    . GLY C 61  ? 0.4113 0.7559 0.4583 -0.0450 -0.0149 -0.0647 222 GLY C CA    
1062 C C     . GLY C 61  ? 0.5720 0.9023 0.6000 -0.0443 -0.0181 -0.0686 222 GLY C C     
1063 O O     . GLY C 61  ? 0.5191 0.8369 0.5532 -0.0481 -0.0112 -0.0649 222 GLY C O     
1064 N N     . ASN C 62  ? 0.5319 0.8632 0.5382 -0.0392 -0.0280 -0.0759 223 ASN C N     
1065 C CA    . ASN C 62  ? 0.5777 0.8968 0.5678 -0.0371 -0.0307 -0.0805 223 ASN C CA    
1066 C C     . ASN C 62  ? 0.5503 0.8640 0.5572 -0.0410 -0.0408 -0.0894 223 ASN C C     
1067 O O     . ASN C 62  ? 0.6782 0.9993 0.7059 -0.0447 -0.0492 -0.0939 223 ASN C O     
1068 C CB    . ASN C 62  ? 0.5749 0.8976 0.5391 -0.0302 -0.0353 -0.0854 223 ASN C CB    
1069 C CG    . ASN C 62  ? 0.5633 0.8901 0.5120 -0.0266 -0.0270 -0.0772 223 ASN C CG    
1070 O OD1   . ASN C 62  ? 0.5368 0.8580 0.4857 -0.0279 -0.0173 -0.0686 223 ASN C OD1   
1071 N ND2   . ASN C 62  ? 0.5722 0.9064 0.5052 -0.0221 -0.0306 -0.0801 223 ASN C ND2   
1072 N N     . ARG C 63  ? 0.6420 0.9420 0.6407 -0.0399 -0.0413 -0.0925 224 ARG C N     
1073 C CA    . ARG C 63  ? 0.6865 0.9780 0.7017 -0.0440 -0.0503 -0.1008 224 ARG C CA    
1074 C C     . ARG C 63  ? 0.6407 0.9346 0.6456 -0.0401 -0.0646 -0.1148 224 ARG C C     
1075 O O     . ARG C 63  ? 0.7088 0.9989 0.7291 -0.0438 -0.0759 -0.1235 224 ARG C O     
1076 C CB    . ARG C 63  ? 0.7049 0.9782 0.7166 -0.0441 -0.0457 -0.0985 224 ARG C CB    
1077 C CG    . ARG C 63  ? 0.8763 1.1413 0.9030 -0.0505 -0.0339 -0.0861 224 ARG C CG    
1078 C CD    . ARG C 63  ? 0.9677 1.2112 0.9925 -0.0513 -0.0320 -0.0840 224 ARG C CD    
1079 N NE    . ARG C 63  ? 1.0085 1.2444 1.0589 -0.0580 -0.0387 -0.0897 224 ARG C NE    
1080 C CZ    . ARG C 63  ? 0.9405 1.1766 1.0194 -0.0670 -0.0339 -0.0841 224 ARG C CZ    
1081 N NH1   . ARG C 63  ? 0.8518 1.0954 0.9367 -0.0698 -0.0206 -0.0727 224 ARG C NH1   
1082 N NH2   . ARG C 63  ? 0.8412 1.0695 0.9448 -0.0733 -0.0420 -0.0904 224 ARG C NH2   
1083 N N     . LYS C 64  ? 0.6521 0.9509 0.6308 -0.0328 -0.0641 -0.1172 225 LYS C N     
1084 C CA    . LYS C 64  ? 0.5957 0.8941 0.5574 -0.0280 -0.0746 -0.1298 225 LYS C CA    
1085 C C     . LYS C 64  ? 0.6060 0.9175 0.5575 -0.0259 -0.0781 -0.1287 225 LYS C C     
1086 O O     . LYS C 64  ? 0.5791 0.9003 0.5329 -0.0264 -0.0704 -0.1183 225 LYS C O     
1087 C CB    . LYS C 64  ? 0.7132 1.0048 0.6528 -0.0207 -0.0693 -0.1336 225 LYS C CB    
1088 C CG    . LYS C 64  ? 0.7081 0.9868 0.6567 -0.0215 -0.0645 -0.1314 225 LYS C CG    
1089 C CD    . LYS C 64  ? 0.6281 0.8930 0.5846 -0.0227 -0.0739 -0.1431 225 LYS C CD    
1090 C CE    . LYS C 64  ? 0.7333 0.9844 0.6879 -0.0188 -0.0699 -0.1445 225 LYS C CE    
1091 N NZ    . LYS C 64  ? 0.8207 1.0735 0.7723 -0.0170 -0.0591 -0.1317 225 LYS C NZ    
1092 N N     . ARG C 65  ? 0.6538 0.9633 0.5922 -0.0232 -0.0904 -0.1395 226 ARG C N     
1093 C CA    . ARG C 65  ? 0.6669 0.9856 0.5918 -0.0206 -0.0956 -0.1386 226 ARG C CA    
1094 C C     . ARG C 65  ? 0.6027 0.9260 0.5030 -0.0147 -0.0834 -0.1326 226 ARG C C     
1095 O O     . ARG C 65  ? 0.6177 0.9348 0.5022 -0.0103 -0.0766 -0.1361 226 ARG C O     
1096 C CB    . ARG C 65  ? 0.6919 1.0024 0.6008 -0.0180 -0.1121 -0.1521 226 ARG C CB    
1097 C CG    . ARG C 65  ? 0.8347 1.1507 0.7263 -0.0149 -0.1205 -0.1514 226 ARG C CG    
1098 C CD    . ARG C 65  ? 0.9576 1.2603 0.8277 -0.0119 -0.1382 -0.1657 226 ARG C CD    
1099 N NE    . ARG C 65  ? 1.0052 1.3028 0.9028 -0.0179 -0.1542 -0.1736 226 ARG C NE    
1100 C CZ    . ARG C 65  ? 1.1233 1.4268 1.0436 -0.0221 -0.1702 -0.1736 226 ARG C CZ    
1101 N NH1   . ARG C 65  ? 1.1604 1.4744 1.0778 -0.0203 -0.1732 -0.1662 226 ARG C NH1   
1102 N NH2   . ARG C 65  ? 1.1215 1.4199 1.0703 -0.0282 -0.1844 -0.1813 226 ARG C NH2   
1103 N N     . MET C 66  ? 0.5883 0.9223 0.4881 -0.0146 -0.0803 -0.1235 227 MET C N     
1104 C CA    . MET C 66  ? 0.5750 0.9132 0.4547 -0.0100 -0.0694 -0.1172 227 MET C CA    
1105 C C     . MET C 66  ? 0.5626 0.8989 0.4132 -0.0048 -0.0743 -0.1223 227 MET C C     
1106 O O     . MET C 66  ? 0.5109 0.8484 0.3581 -0.0049 -0.0858 -0.1238 227 MET C O     
1107 C CB    . MET C 66  ? 0.4484 0.7965 0.3394 -0.0120 -0.0631 -0.1052 227 MET C CB    
1108 C CG    . MET C 66  ? 0.3675 0.7196 0.2389 -0.0079 -0.0548 -0.0990 227 MET C CG    
1109 S SD    . MET C 66  ? 0.5547 0.9028 0.4173 -0.0051 -0.0426 -0.0981 227 MET C SD    
1110 C CE    . MET C 66  ? 0.5026 0.8478 0.3875 -0.0096 -0.0377 -0.0914 227 MET C CE    
1111 N N     . THR C 67  ? 0.5573 0.8899 0.3875 0.0000  -0.0653 -0.1245 228 THR C N     
1112 C CA    . THR C 67  ? 0.5430 0.8655 0.3468 0.0054  -0.0635 -0.1254 228 THR C CA    
1113 C C     . THR C 67  ? 0.5008 0.8257 0.3016 0.0071  -0.0499 -0.1130 228 THR C C     
1114 O O     . THR C 67  ? 0.4454 0.7798 0.2606 0.0052  -0.0424 -0.1069 228 THR C O     
1115 C CB    . THR C 67  ? 0.4768 0.7874 0.2647 0.0098  -0.0610 -0.1366 228 THR C CB    
1116 O OG1   . THR C 67  ? 0.4750 0.7915 0.2691 0.0115  -0.0477 -0.1355 228 THR C OG1   
1117 C CG2   . THR C 67  ? 0.5490 0.8558 0.3423 0.0076  -0.0757 -0.1500 228 THR C CG2   
1118 N N     . TYR C 68  ? 0.5053 0.8197 0.2861 0.0105  -0.0476 -0.1095 229 TYR C N     
1119 C CA    . TYR C 68  ? 0.4343 0.7510 0.2144 0.0111  -0.0362 -0.0981 229 TYR C CA    
1120 C C     . TYR C 68  ? 0.4671 0.7871 0.2494 0.0131  -0.0225 -0.0986 229 TYR C C     
1121 O O     . TYR C 68  ? 0.5110 0.8380 0.3028 0.0120  -0.0142 -0.0902 229 TYR C O     
1122 C CB    . TYR C 68  ? 0.5165 0.8204 0.2732 0.0138  -0.0375 -0.0939 229 TYR C CB    
1123 C CG    . TYR C 68  ? 0.4513 0.7568 0.2069 0.0139  -0.0259 -0.0829 229 TYR C CG    
1124 C CD1   . TYR C 68  ? 0.4523 0.7636 0.2186 0.0116  -0.0285 -0.0737 229 TYR C CD1   
1125 C CD2   . TYR C 68  ? 0.4768 0.7787 0.2215 0.0164  -0.0122 -0.0821 229 TYR C CD2   
1126 C CE1   . TYR C 68  ? 0.4307 0.7428 0.1965 0.0113  -0.0194 -0.0643 229 TYR C CE1   
1127 C CE2   . TYR C 68  ? 0.5209 0.8257 0.2669 0.0157  -0.0023 -0.0722 229 TYR C CE2   
1128 C CZ    . TYR C 68  ? 0.4549 0.7639 0.2110 0.0130  -0.0068 -0.0635 229 TYR C CZ    
1129 O OH    . TYR C 68  ? 0.4368 0.7480 0.1941 0.0119  0.0016  -0.0544 229 TYR C OH    
1130 N N     . GLN C 69  ? 0.5234 0.8389 0.2979 0.0161  -0.0208 -0.1091 230 GLN C N     
1131 C CA    . GLN C 69  ? 0.5026 0.8244 0.2826 0.0187  -0.0083 -0.1112 230 GLN C CA    
1132 C C     . GLN C 69  ? 0.4735 0.8085 0.2772 0.0153  -0.0087 -0.1077 230 GLN C C     
1133 O O     . GLN C 69  ? 0.4468 0.7898 0.2596 0.0151  -0.0008 -0.1011 230 GLN C O     
1134 C CB    . GLN C 69  ? 0.4979 0.8123 0.2662 0.0234  -0.0072 -0.1250 230 GLN C CB    
1135 C CG    . GLN C 69  ? 0.5251 0.8460 0.2965 0.0281  0.0080  -0.1283 230 GLN C CG    
1136 C CD    . GLN C 69  ? 0.7090 1.0179 0.4610 0.0346  0.0135  -0.1409 230 GLN C CD    
1137 O OE1   . GLN C 69  ? 0.5377 0.8344 0.2781 0.0354  0.0031  -0.1504 230 GLN C OE1   
1138 N NE2   . GLN C 69  ? 0.7482 1.0606 0.4983 0.0395  0.0304  -0.1415 230 GLN C NE2   
1139 N N     . LYS C 70  ? 0.5036 0.8398 0.3161 0.0124  -0.0185 -0.1120 231 LYS C N     
1140 C CA    . LYS C 70  ? 0.4967 0.8407 0.3269 0.0091  -0.0191 -0.1081 231 LYS C CA    
1141 C C     . LYS C 70  ? 0.3894 0.7376 0.2259 0.0060  -0.0178 -0.0957 231 LYS C C     
1142 O O     . LYS C 70  ? 0.4048 0.7573 0.2501 0.0048  -0.0145 -0.0903 231 LYS C O     
1143 C CB    . LYS C 70  ? 0.4664 0.8036 0.3086 0.0059  -0.0281 -0.1125 231 LYS C CB    
1144 C CG    . LYS C 70  ? 0.5131 0.8412 0.3555 0.0091  -0.0291 -0.1234 231 LYS C CG    
1145 C CD    . LYS C 70  ? 0.5863 0.9066 0.4431 0.0050  -0.0380 -0.1270 231 LYS C CD    
1146 C CE    . LYS C 70  ? 0.6383 0.9603 0.4955 0.0006  -0.0476 -0.1269 231 LYS C CE    
1147 N NZ    . LYS C 70  ? 0.5581 0.8727 0.4334 -0.0041 -0.0560 -0.1310 231 LYS C NZ    
1148 N N     . LEU C 71  ? 0.4198 0.7647 0.2506 0.0052  -0.0212 -0.0916 232 LEU C N     
1149 C CA    . LEU C 71  ? 0.4182 0.7657 0.2549 0.0030  -0.0197 -0.0808 232 LEU C CA    
1150 C C     . LEU C 71  ? 0.4259 0.7736 0.2608 0.0046  -0.0106 -0.0746 232 LEU C C     
1151 O O     . LEU C 71  ? 0.4865 0.8374 0.3301 0.0030  -0.0081 -0.0680 232 LEU C O     
1152 C CB    . LEU C 71  ? 0.3885 0.7339 0.2199 0.0025  -0.0270 -0.0792 232 LEU C CB    
1153 C CG    . LEU C 71  ? 0.3903 0.7403 0.2297 0.0005  -0.0278 -0.0705 232 LEU C CG    
1154 C CD1   . LEU C 71  ? 0.3588 0.7123 0.1988 -0.0002 -0.0386 -0.0724 232 LEU C CD1   
1155 C CD2   . LEU C 71  ? 0.3894 0.7354 0.2235 0.0019  -0.0214 -0.0623 232 LEU C CD2   
1156 N N     . ALA C 72  ? 0.5063 0.8505 0.3289 0.0077  -0.0056 -0.0770 233 ALA C N     
1157 C CA    . ALA C 72  ? 0.4387 0.7865 0.2610 0.0086  0.0041  -0.0717 233 ALA C CA    
1158 C C     . ALA C 72  ? 0.4433 0.8012 0.2780 0.0090  0.0085  -0.0743 233 ALA C C     
1159 O O     . ALA C 72  ? 0.3658 0.7309 0.2080 0.0079  0.0127  -0.0687 233 ALA C O     
1160 C CB    . ALA C 72  ? 0.3930 0.7344 0.1970 0.0120  0.0109  -0.0741 233 ALA C CB    
1161 N N     . ARG C 73  ? 0.4206 0.7797 0.2567 0.0109  0.0066  -0.0834 234 ARG C N     
1162 C CA    . ARG C 73  ? 0.4448 0.8109 0.2945 0.0119  0.0083  -0.0858 234 ARG C CA    
1163 C C     . ARG C 73  ? 0.3555 0.7206 0.2155 0.0082  0.0026  -0.0780 234 ARG C C     
1164 O O     . ARG C 73  ? 0.3681 0.7353 0.2403 0.0082  0.0039  -0.0739 234 ARG C O     
1165 C CB    . ARG C 73  ? 0.3584 0.7176 0.2119 0.0143  0.0049  -0.0952 234 ARG C CB    
1166 C CG    . ARG C 73  ? 0.5745 0.9327 0.4482 0.0161  0.0048  -0.0955 234 ARG C CG    
1167 C CD    . ARG C 73  ? 0.4826 0.8493 0.3667 0.0193  0.0145  -0.0946 234 ARG C CD    
1168 N NE    . ARG C 73  ? 0.5963 0.9628 0.5033 0.0212  0.0117  -0.0941 234 ARG C NE    
1169 C CZ    . ARG C 73  ? 0.6166 0.9838 0.5348 0.0188  0.0063  -0.0865 234 ARG C CZ    
1170 N NH1   . ARG C 73  ? 0.3928 0.7609 0.3021 0.0143  0.0043  -0.0790 234 ARG C NH1   
1171 N NH2   . ARG C 73  ? 0.6192 0.9848 0.5575 0.0214  0.0018  -0.0867 234 ARG C NH2   
1172 N N     . ALA C 74  ? 0.3554 0.7165 0.2108 0.0052  -0.0036 -0.0758 235 ALA C N     
1173 C CA    . ALA C 74  ? 0.3505 0.7086 0.2110 0.0024  -0.0068 -0.0688 235 ALA C CA    
1174 C C     . ALA C 74  ? 0.3863 0.7455 0.2480 0.0015  -0.0040 -0.0610 235 ALA C C     
1175 O O     . ALA C 74  ? 0.4410 0.8006 0.3060 0.0009  -0.0053 -0.0576 235 ALA C O     
1176 C CB    . ALA C 74  ? 0.4243 0.7773 0.2842 -0.0002 -0.0111 -0.0678 235 ALA C CB    
1177 N N     . LEU C 75  ? 0.3547 0.7132 0.2120 0.0016  -0.0012 -0.0584 236 LEU C N     
1178 C CA    . LEU C 75  ? 0.4043 0.7637 0.2618 0.0004  0.0015  -0.0511 236 LEU C CA    
1179 C C     . LEU C 75  ? 0.4890 0.8594 0.3504 0.0008  0.0062  -0.0514 236 LEU C C     
1180 O O     . LEU C 75  ? 0.4440 0.8173 0.3079 -0.0010 0.0063  -0.0460 236 LEU C O     
1181 C CB    . LEU C 75  ? 0.3456 0.7015 0.1943 0.0010  0.0034  -0.0487 236 LEU C CB    
1182 C CG    . LEU C 75  ? 0.4614 0.8107 0.3070 0.0005  -0.0026 -0.0472 236 LEU C CG    
1183 C CD1   . LEU C 75  ? 0.3453 0.6900 0.1777 0.0021  -0.0026 -0.0461 236 LEU C CD1   
1184 C CD2   . LEU C 75  ? 0.3298 0.6773 0.1809 -0.0012 -0.0044 -0.0411 236 LEU C CD2   
1185 N N     . ARG C 76  ? 0.3626 0.7390 0.2277 0.0034  0.0101  -0.0578 237 ARG C N     
1186 C CA    . ARG C 76  ? 0.4101 0.7921 0.2920 0.0040  0.0153  -0.0566 237 ARG C CA    
1187 C C     . ARG C 76  ? 0.4385 0.8166 0.3348 0.0025  0.0071  -0.0535 237 ARG C C     
1188 O O     . ARG C 76  ? 0.4734 0.8553 0.3847 0.0013  0.0078  -0.0500 237 ARG C O     
1189 C CB    . ARG C 76  ? 0.4055 0.7910 0.2945 0.0081  0.0217  -0.0642 237 ARG C CB    
1190 C CG    . ARG C 76  ? 0.7126 1.1049 0.5985 0.0097  0.0357  -0.0643 237 ARG C CG    
1191 C CD    . ARG C 76  ? 0.5439 0.9360 0.4261 0.0150  0.0431  -0.0738 237 ARG C CD    
1192 N NE    . ARG C 76  ? 0.7670 1.1526 0.6196 0.0162  0.0437  -0.0775 237 ARG C NE    
1193 C CZ    . ARG C 76  ? 0.5998 0.9798 0.4414 0.0203  0.0443  -0.0872 237 ARG C CZ    
1194 N NH1   . ARG C 76  ? 0.6513 1.0315 0.5093 0.0239  0.0458  -0.0942 237 ARG C NH1   
1195 N NH2   . ARG C 76  ? 0.7148 1.0814 0.5334 0.0206  0.0407  -0.0885 237 ARG C NH2   
1196 N N     . ASN C 77  ? 0.4157 0.7845 0.3071 0.0025  -0.0010 -0.0546 238 ASN C N     
1197 C CA    . ASN C 77  ? 0.4296 0.7903 0.3285 0.0020  -0.0097 -0.0521 238 ASN C CA    
1198 C C     . ASN C 77  ? 0.3944 0.7510 0.2877 -0.0008 -0.0128 -0.0458 238 ASN C C     
1199 O O     . ASN C 77  ? 0.4172 0.7670 0.3166 -0.0012 -0.0204 -0.0437 238 ASN C O     
1200 C CB    . ASN C 77  ? 0.5549 0.9040 0.4463 0.0029  -0.0155 -0.0540 238 ASN C CB    
1201 C CG    . ASN C 77  ? 0.4889 0.8393 0.3879 0.0059  -0.0143 -0.0606 238 ASN C CG    
1202 O OD1   . ASN C 77  ? 0.4533 0.8091 0.3685 0.0086  -0.0134 -0.0634 238 ASN C OD1   
1203 N ND2   . ASN C 77  ? 0.4083 0.7533 0.2984 0.0056  -0.0145 -0.0633 238 ASN C ND2   
1204 N N     . TYR C 78  ? 0.3913 0.7501 0.2726 -0.0025 -0.0085 -0.0430 239 TYR C N     
1205 C CA    . TYR C 78  ? 0.4248 0.7781 0.3009 -0.0046 -0.0113 -0.0376 239 TYR C CA    
1206 C C     . TYR C 78  ? 0.4274 0.7851 0.3182 -0.0064 -0.0114 -0.0347 239 TYR C C     
1207 O O     . TYR C 78  ? 0.3605 0.7111 0.2496 -0.0082 -0.0162 -0.0311 239 TYR C O     
1208 C CB    . TYR C 78  ? 0.3459 0.7009 0.2092 -0.0053 -0.0073 -0.0350 239 TYR C CB    
1209 C CG    . TYR C 78  ? 0.3316 0.6737 0.1919 -0.0044 -0.0083 -0.0352 239 TYR C CG    
1210 C CD1   . TYR C 78  ? 0.3675 0.6977 0.2230 -0.0042 -0.0121 -0.0346 239 TYR C CD1   
1211 C CD2   . TYR C 78  ? 0.3345 0.6772 0.1950 -0.0038 -0.0057 -0.0362 239 TYR C CD2   
1212 C CE1   . TYR C 78  ? 0.4107 0.7331 0.2629 -0.0038 -0.0105 -0.0345 239 TYR C CE1   
1213 C CE2   . TYR C 78  ? 0.4232 0.7604 0.2827 -0.0037 -0.0067 -0.0368 239 TYR C CE2   
1214 C CZ    . TYR C 78  ? 0.4549 0.7834 0.3109 -0.0039 -0.0078 -0.0358 239 TYR C CZ    
1215 O OH    . TYR C 78  ? 0.4697 0.7964 0.3242 -0.0042 -0.0064 -0.0362 239 TYR C OH    
1216 N N     . ALA C 79  ? 0.4116 0.7803 0.3180 -0.0059 -0.0055 -0.0365 240 ALA C N     
1217 C CA    . ALA C 79  ? 0.4667 0.8406 0.3937 -0.0081 -0.0051 -0.0335 240 ALA C CA    
1218 C C     . ALA C 79  ? 0.3802 0.7448 0.3172 -0.0086 -0.0187 -0.0337 240 ALA C C     
1219 O O     . ALA C 79  ? 0.4234 0.7864 0.3716 -0.0116 -0.0233 -0.0304 240 ALA C O     
1220 C CB    . ALA C 79  ? 0.3949 0.7820 0.3407 -0.0067 0.0049  -0.0360 240 ALA C CB    
1221 N N     . LYS C 80  ? 0.4225 0.7785 0.3530 -0.0057 -0.0263 -0.0373 241 LYS C N     
1222 C CA    . LYS C 80  ? 0.4800 0.8229 0.4135 -0.0052 -0.0410 -0.0374 241 LYS C CA    
1223 C C     . LYS C 80  ? 0.4486 0.7762 0.3619 -0.0070 -0.0472 -0.0343 241 LYS C C     
1224 O O     . LYS C 80  ? 0.4024 0.7220 0.3221 -0.0084 -0.0580 -0.0333 241 LYS C O     
1225 C CB    . LYS C 80  ? 0.3826 0.7169 0.3091 -0.0014 -0.0464 -0.0409 241 LYS C CB    
1226 C CG    . LYS C 80  ? 0.5226 0.8686 0.4714 0.0014  -0.0432 -0.0450 241 LYS C CG    
1227 C CD    . LYS C 80  ? 0.6482 0.9827 0.5872 0.0050  -0.0487 -0.0478 241 LYS C CD    
1228 C CE    . LYS C 80  ? 0.6754 1.0203 0.6362 0.0087  -0.0451 -0.0528 241 LYS C CE    
1229 N NZ    . LYS C 80  ? 0.7200 1.0516 0.6720 0.0120  -0.0514 -0.0550 241 LYS C NZ    
1230 N N     . THR C 81  ? 0.3799 0.7029 0.2704 -0.0067 -0.0410 -0.0332 242 THR C N     
1231 C CA    . THR C 81  ? 0.4294 0.7365 0.2996 -0.0071 -0.0450 -0.0310 242 THR C CA    
1232 C C     . THR C 81  ? 0.5068 0.8191 0.3759 -0.0094 -0.0387 -0.0276 242 THR C C     
1233 O O     . THR C 81  ? 0.4277 0.7268 0.2846 -0.0097 -0.0428 -0.0262 242 THR C O     
1234 C CB    . THR C 81  ? 0.4080 0.7042 0.2558 -0.0047 -0.0423 -0.0317 242 THR C CB    
1235 O OG1   . THR C 81  ? 0.4867 0.7966 0.3381 -0.0045 -0.0325 -0.0327 242 THR C OG1   
1236 C CG2   . THR C 81  ? 0.4226 0.7041 0.2636 -0.0024 -0.0514 -0.0333 242 THR C CG2   
1237 N N     . GLY C 82  ? 0.3835 0.7119 0.2617 -0.0105 -0.0290 -0.0263 243 GLY C N     
1238 C CA    . GLY C 82  ? 0.3586 0.6913 0.2385 -0.0129 -0.0240 -0.0219 243 GLY C CA    
1239 C C     . GLY C 82  ? 0.3185 0.6490 0.1814 -0.0117 -0.0191 -0.0199 243 GLY C C     
1240 O O     . GLY C 82  ? 0.3555 0.6861 0.2180 -0.0132 -0.0167 -0.0156 243 GLY C O     
1241 N N     . GLU C 83  ? 0.3895 0.7182 0.2409 -0.0090 -0.0175 -0.0224 244 GLU C N     
1242 C CA    . GLU C 83  ? 0.4339 0.7575 0.2793 -0.0075 -0.0133 -0.0202 244 GLU C CA    
1243 C C     . GLU C 83  ? 0.3975 0.7315 0.2467 -0.0078 -0.0080 -0.0180 244 GLU C C     
1244 O O     . GLU C 83  ? 0.3608 0.6922 0.2066 -0.0072 -0.0068 -0.0143 244 GLU C O     
1245 C CB    . GLU C 83  ? 0.4410 0.7550 0.2842 -0.0052 -0.0120 -0.0226 244 GLU C CB    
1246 C CG    . GLU C 83  ? 0.4678 0.7660 0.3006 -0.0041 -0.0155 -0.0236 244 GLU C CG    
1247 C CD    . GLU C 83  ? 0.4145 0.7118 0.2471 -0.0043 -0.0199 -0.0266 244 GLU C CD    
1248 O OE1   . GLU C 83  ? 0.4620 0.7741 0.3042 -0.0054 -0.0210 -0.0282 244 GLU C OE1   
1249 O OE2   . GLU C 83  ? 0.5206 0.8026 0.3418 -0.0029 -0.0220 -0.0272 244 GLU C OE2   
1250 N N     . ILE C 84  ? 0.3590 0.7032 0.2127 -0.0081 -0.0050 -0.0205 245 ILE C N     
1251 C CA    . ILE C 84  ? 0.3715 0.7222 0.2240 -0.0079 0.0004  -0.0191 245 ILE C CA    
1252 C C     . ILE C 84  ? 0.4391 0.8041 0.2950 -0.0094 0.0056  -0.0202 245 ILE C C     
1253 O O     . ILE C 84  ? 0.4352 0.8016 0.3019 -0.0091 0.0039  -0.0243 245 ILE C O     
1254 C CB    . ILE C 84  ? 0.4023 0.7492 0.2542 -0.0054 0.0003  -0.0228 245 ILE C CB    
1255 C CG1   . ILE C 84  ? 0.4274 0.7666 0.2776 -0.0041 -0.0032 -0.0213 245 ILE C CG1   
1256 C CG2   . ILE C 84  ? 0.4708 0.8211 0.3167 -0.0046 0.0047  -0.0227 245 ILE C CG2   
1257 C CD1   . ILE C 84  ? 0.3149 0.6550 0.1655 -0.0026 -0.0050 -0.0252 245 ILE C CD1   
1258 N N     . ARG C 85  ? 0.3251 0.6935 0.1793 -0.0106 0.0125  -0.0154 246 ARG C N     
1259 C CA    . ARG C 85  ? 0.4097 0.7858 0.2743 -0.0115 0.0216  -0.0154 246 ARG C CA    
1260 C C     . ARG C 85  ? 0.4777 0.8558 0.3241 -0.0095 0.0301  -0.0148 246 ARG C C     
1261 O O     . ARG C 85  ? 0.3894 0.7566 0.2232 -0.0086 0.0273  -0.0109 246 ARG C O     
1262 C CB    . ARG C 85  ? 0.4081 0.7846 0.2894 -0.0157 0.0243  -0.0091 246 ARG C CB    
1263 C CG    . ARG C 85  ? 0.4273 0.7999 0.2975 -0.0175 0.0297  -0.0007 246 ARG C CG    
1264 C CD    . ARG C 85  ? 0.4492 0.8247 0.3404 -0.0224 0.0365  0.0053  246 ARG C CD    
1265 N NE    . ARG C 85  ? 0.5339 0.9029 0.4150 -0.0248 0.0411  0.0146  246 ARG C NE    
1266 C CZ    . ARG C 85  ? 0.5168 0.8867 0.4139 -0.0297 0.0492  0.0218  246 ARG C CZ    
1267 N NH1   . ARG C 85  ? 0.5251 0.9041 0.4523 -0.0327 0.0534  0.0204  246 ARG C NH1   
1268 N NH2   . ARG C 85  ? 0.3828 0.7443 0.2676 -0.0316 0.0531  0.0310  246 ARG C NH2   
1269 N N     . LYS C 86  ? 0.4034 0.7875 0.2535 -0.0079 0.0390  -0.0187 247 LYS C N     
1270 C CA    . LYS C 86  ? 0.5272 0.9065 0.3595 -0.0056 0.0481  -0.0179 247 LYS C CA    
1271 C C     . LYS C 86  ? 0.4102 0.7917 0.2387 -0.0087 0.0593  -0.0082 247 LYS C C     
1272 O O     . LYS C 86  ? 0.4307 0.8172 0.2837 -0.0124 0.0633  -0.0043 247 LYS C O     
1273 C CB    . LYS C 86  ? 0.5029 0.8885 0.3383 -0.0025 0.0568  -0.0257 247 LYS C CB    
1274 C CG    . LYS C 86  ? 0.5252 0.8985 0.3409 0.0006  0.0670  -0.0255 247 LYS C CG    
1275 C CD    . LYS C 86  ? 0.5555 0.9095 0.3510 0.0038  0.0558  -0.0292 247 LYS C CD    
1276 C CE    . LYS C 86  ? 0.4451 0.7845 0.2152 0.0073  0.0649  -0.0299 247 LYS C CE    
1277 N NZ    . LYS C 86  ? 0.4628 0.7966 0.2212 0.0054  0.0747  -0.0193 247 LYS C NZ    
1278 N N     . VAL C 87  ? 0.4566 0.8214 0.2642 -0.0072 0.0599  -0.0034 248 VAL C N     
1279 C CA    . VAL C 87  ? 0.4688 0.8312 0.2679 -0.0097 0.0719  0.0068  248 VAL C CA    
1280 C C     . VAL C 87  ? 0.5111 0.8666 0.2964 -0.0069 0.0870  0.0058  248 VAL C C     
1281 O O     . VAL C 87  ? 0.4590 0.8048 0.2317 -0.0021 0.0840  -0.0023 248 VAL C O     
1282 C CB    . VAL C 87  ? 0.4438 0.7902 0.2254 -0.0095 0.0623  0.0137  248 VAL C CB    
1283 C CG1   . VAL C 87  ? 0.5425 0.8853 0.3143 -0.0126 0.0742  0.0258  248 VAL C CG1   
1284 C CG2   . VAL C 87  ? 0.5450 0.8962 0.3400 -0.0112 0.0487  0.0132  248 VAL C CG2   
1285 N N     . LYS C 88  ? 0.4614 0.8203 0.2483 -0.0099 0.1044  0.0144  249 LYS C N     
1286 C CA    . LYS C 88  ? 0.6232 0.9734 0.3964 -0.0071 0.1224  0.0142  249 LYS C CA    
1287 C C     . LYS C 88  ? 0.6452 0.9663 0.3771 -0.0033 0.1194  0.0170  249 LYS C C     
1288 O O     . LYS C 88  ? 0.5867 0.8954 0.3003 -0.0040 0.1338  0.0257  249 LYS C O     
1289 C CB    . LYS C 88  ? 0.5019 0.8650 0.2947 -0.0122 0.1445  0.0235  249 LYS C CB    
1290 C CG    . LYS C 88  ? 0.6470 1.0360 0.4858 -0.0151 0.1503  0.0193  249 LYS C CG    
1291 C CD    . LYS C 88  ? 0.5321 0.9268 0.3981 -0.0206 0.1706  0.0293  249 LYS C CD    
1292 C CE    . LYS C 88  ? 0.6716 1.0847 0.5884 -0.0218 0.1756  0.0235  249 LYS C CE    
1293 N NZ    . LYS C 88  ? 0.7401 1.1592 0.6839 -0.0236 0.1514  0.0180  249 LYS C NZ    
1294 N N     . ARG C 89  ? 0.6720 0.9823 0.3903 0.0004  0.1006  0.0103  250 ARG C N     
1295 C CA    . ARG C 89  ? 0.7222 1.0064 0.4030 0.0044  0.0941  0.0108  250 ARG C CA    
1296 C C     . ARG C 89  ? 0.6824 0.9623 0.3589 0.0086  0.0812  -0.0017 250 ARG C C     
1297 O O     . ARG C 89  ? 0.6224 0.9174 0.3245 0.0078  0.0713  -0.0079 250 ARG C O     
1298 C CB    . ARG C 89  ? 0.7628 1.0390 0.4349 0.0030  0.0811  0.0193  250 ARG C CB    
1299 C CG    . ARG C 89  ? 0.7807 1.0546 0.4479 -0.0009 0.0936  0.0332  250 ARG C CG    
1300 C CD    . ARG C 89  ? 0.9161 1.1846 0.5790 -0.0017 0.0785  0.0404  250 ARG C CD    
1301 N NE    . ARG C 89  ? 0.9638 1.2521 0.6570 -0.0071 0.0786  0.0453  250 ARG C NE    
1302 C CZ    . ARG C 89  ? 0.9151 1.2033 0.6117 -0.0083 0.0669  0.0509  250 ARG C CZ    
1303 N NH1   . ARG C 89  ? 0.8780 1.1497 0.5537 -0.0041 0.0538  0.0527  250 ARG C NH1   
1304 N NH2   . ARG C 89  ? 0.7905 1.0956 0.5120 -0.0135 0.0679  0.0545  250 ARG C NH2   
1305 N N     . LYS C 90  ? 0.6815 0.9394 0.3236 0.0128  0.0816  -0.0050 251 LYS C N     
1306 C CA    . LYS C 90  ? 0.6672 0.9196 0.3025 0.0166  0.0708  -0.0170 251 LYS C CA    
1307 C C     . LYS C 90  ? 0.5602 0.8199 0.2130 0.0156  0.0492  -0.0201 251 LYS C C     
1308 O O     . LYS C 90  ? 0.6230 0.8771 0.2702 0.0149  0.0384  -0.0140 251 LYS C O     
1309 C CB    . LYS C 90  ? 0.6499 0.8735 0.2394 0.0205  0.0712  -0.0187 251 LYS C CB    
1310 C CG    . LYS C 90  ? 0.7851 1.0002 0.3640 0.0237  0.0554  -0.0305 251 LYS C CG    
1311 C CD    . LYS C 90  ? 0.8183 1.0023 0.3473 0.0270  0.0555  -0.0327 251 LYS C CD    
1312 C CE    . LYS C 90  ? 0.7328 0.9081 0.2517 0.0292  0.0355  -0.0439 251 LYS C CE    
1313 N NZ    . LYS C 90  ? 0.8154 0.9612 0.2858 0.0320  0.0385  -0.0493 251 LYS C NZ    
1314 N N     . LEU C 91  ? 0.5341 0.8074 0.2099 0.0156  0.0442  -0.0290 252 LEU C N     
1315 C CA    . LEU C 91  ? 0.5065 0.7878 0.2018 0.0144  0.0271  -0.0323 252 LEU C CA    
1316 C C     . LEU C 91  ? 0.5225 0.8118 0.2340 0.0112  0.0223  -0.0236 252 LEU C C     
1317 O O     . LEU C 91  ? 0.5438 0.8328 0.2607 0.0111  0.0087  -0.0235 252 LEU C O     
1318 C CB    . LEU C 91  ? 0.5281 0.7942 0.2023 0.0172  0.0126  -0.0377 252 LEU C CB    
1319 C CG    . LEU C 91  ? 0.6706 0.9256 0.3250 0.0207  0.0148  -0.0478 252 LEU C CG    
1320 C CD1   . LEU C 91  ? 0.6463 0.8798 0.2687 0.0233  0.0009  -0.0506 252 LEU C CD1   
1321 C CD2   . LEU C 91  ? 0.5285 0.7974 0.2072 0.0203  0.0116  -0.0575 252 LEU C CD2   
1322 N N     . THR C 92  ? 0.4780 0.7751 0.1984 0.0085  0.0334  -0.0164 253 THR C N     
1323 C CA    . THR C 92  ? 0.5340 0.8364 0.2659 0.0056  0.0294  -0.0083 253 THR C CA    
1324 C C     . THR C 92  ? 0.5533 0.8737 0.3148 0.0023  0.0307  -0.0094 253 THR C C     
1325 O O     . THR C 92  ? 0.5431 0.8738 0.3146 0.0012  0.0405  -0.0120 253 THR C O     
1326 C CB    . THR C 92  ? 0.5499 0.8445 0.2646 0.0046  0.0393  0.0022  253 THR C CB    
1327 O OG1   . THR C 92  ? 0.5681 0.8420 0.2499 0.0082  0.0364  0.0032  253 THR C OG1   
1328 C CG2   . THR C 92  ? 0.4727 0.7716 0.1973 0.0019  0.0343  0.0104  253 THR C CG2   
1329 N N     . TYR C 93  ? 0.4449 0.7685 0.2191 0.0010  0.0210  -0.0077 254 TYR C N     
1330 C CA    . TYR C 93  ? 0.3906 0.7265 0.1872 -0.0018 0.0202  -0.0087 254 TYR C CA    
1331 C C     . TYR C 93  ? 0.4633 0.7988 0.2631 -0.0037 0.0166  -0.0015 254 TYR C C     
1332 O O     . TYR C 93  ? 0.4552 0.7821 0.2426 -0.0024 0.0134  0.0039  254 TYR C O     
1333 C CB    . TYR C 93  ? 0.3802 0.7181 0.1884 -0.0007 0.0124  -0.0166 254 TYR C CB    
1334 C CG    . TYR C 93  ? 0.4125 0.7523 0.2198 0.0009  0.0152  -0.0246 254 TYR C CG    
1335 C CD1   . TYR C 93  ? 0.4181 0.7490 0.2105 0.0038  0.0122  -0.0288 254 TYR C CD1   
1336 C CD2   . TYR C 93  ? 0.4045 0.7550 0.2244 0.0000  0.0199  -0.0284 254 TYR C CD2   
1337 C CE1   . TYR C 93  ? 0.4281 0.7596 0.2181 0.0057  0.0145  -0.0369 254 TYR C CE1   
1338 C CE2   . TYR C 93  ? 0.4602 0.8129 0.2792 0.0022  0.0227  -0.0362 254 TYR C CE2   
1339 C CZ    . TYR C 93  ? 0.5337 0.8762 0.3376 0.0050  0.0204  -0.0405 254 TYR C CZ    
1340 O OH    . TYR C 93  ? 0.6617 1.0054 0.4636 0.0074  0.0231  -0.0490 254 TYR C OH    
1341 N N     . GLN C 94  ? 0.4039 0.7477 0.2186 -0.0063 0.0161  -0.0017 255 GLN C N     
1342 C CA    . GLN C 94  ? 0.4802 0.8228 0.2965 -0.0081 0.0129  0.0042  255 GLN C CA    
1343 C C     . GLN C 94  ? 0.4537 0.7973 0.2818 -0.0083 0.0067  -0.0002 255 GLN C C     
1344 O O     . GLN C 94  ? 0.4515 0.8017 0.2879 -0.0097 0.0075  -0.0044 255 GLN C O     
1345 C CB    . GLN C 94  ? 0.3741 0.7246 0.1896 -0.0125 0.0210  0.0113  255 GLN C CB    
1346 C CG    . GLN C 94  ? 0.3944 0.7381 0.2123 -0.0142 0.0164  0.0176  255 GLN C CG    
1347 C CD    . GLN C 94  ? 0.5400 0.8818 0.3702 -0.0194 0.0233  0.0245  255 GLN C CD    
1348 O OE1   . GLN C 94  ? 0.4467 0.7959 0.2915 -0.0222 0.0299  0.0229  255 GLN C OE1   
1349 N NE2   . GLN C 94  ? 0.4313 0.7632 0.2583 -0.0208 0.0218  0.0324  255 GLN C NE2   
1350 N N     . PHE C 95  ? 0.4401 0.7767 0.2672 -0.0064 0.0009  0.0009  256 PHE C N     
1351 C CA    . PHE C 95  ? 0.4671 0.8006 0.3005 -0.0061 -0.0031 -0.0021 256 PHE C CA    
1352 C C     . PHE C 95  ? 0.4658 0.8000 0.2980 -0.0091 -0.0038 0.0010  256 PHE C C     
1353 O O     . PHE C 95  ? 0.4074 0.7395 0.2379 -0.0109 -0.0022 0.0074  256 PHE C O     
1354 C CB    . PHE C 95  ? 0.4015 0.7300 0.2332 -0.0026 -0.0069 -0.0018 256 PHE C CB    
1355 C CG    . PHE C 95  ? 0.4576 0.7887 0.2926 -0.0003 -0.0085 -0.0061 256 PHE C CG    
1356 C CD1   . PHE C 95  ? 0.4290 0.7608 0.2708 -0.0005 -0.0080 -0.0116 256 PHE C CD1   
1357 C CD2   . PHE C 95  ? 0.3448 0.6776 0.1745 0.0019  -0.0117 -0.0044 256 PHE C CD2   
1358 C CE1   . PHE C 95  ? 0.4082 0.7450 0.2534 0.0007  -0.0098 -0.0155 256 PHE C CE1   
1359 C CE2   . PHE C 95  ? 0.3683 0.7059 0.2012 0.0035  -0.0153 -0.0090 256 PHE C CE2   
1360 C CZ    . PHE C 95  ? 0.4451 0.7860 0.2867 0.0026  -0.0139 -0.0147 256 PHE C CZ    
1361 N N     . ASP C 96  ? 0.4736 0.8042 0.3095 -0.0096 -0.0071 -0.0032 257 ASP C N     
1362 C CA    . ASP C 96  ? 0.4429 0.7627 0.2833 -0.0116 -0.0111 -0.0016 257 ASP C CA    
1363 C C     . ASP C 96  ? 0.4719 0.7819 0.3052 -0.0092 -0.0127 0.0014  257 ASP C C     
1364 O O     . ASP C 96  ? 0.4696 0.7796 0.2966 -0.0052 -0.0120 0.0000  257 ASP C O     
1365 C CB    . ASP C 96  ? 0.4943 0.8067 0.3352 -0.0113 -0.0164 -0.0073 257 ASP C CB    
1366 C CG    . ASP C 96  ? 0.5376 0.8372 0.3824 -0.0136 -0.0232 -0.0068 257 ASP C CG    
1367 O OD1   . ASP C 96  ? 0.5028 0.8069 0.3626 -0.0178 -0.0241 -0.0046 257 ASP C OD1   
1368 O OD2   . ASP C 96  ? 0.4961 0.7806 0.3296 -0.0112 -0.0272 -0.0090 257 ASP C OD2   
1369 N N     . SER C 97  ? 0.3910 0.6926 0.2281 -0.0117 -0.0147 0.0056  258 SER C N     
1370 C CA    . SER C 97  ? 0.5410 0.8322 0.3722 -0.0090 -0.0162 0.0087  258 SER C CA    
1371 C C     . SER C 97  ? 0.5722 0.8513 0.3960 -0.0047 -0.0190 0.0032  258 SER C C     
1372 O O     . SER C 97  ? 0.6075 0.8802 0.4273 -0.0005 -0.0184 0.0043  258 SER C O     
1373 C CB    . SER C 97  ? 0.6096 0.8923 0.4474 -0.0131 -0.0180 0.0144  258 SER C CB    
1374 O OG    . SER C 97  ? 0.6003 0.8729 0.4436 -0.0158 -0.0241 0.0104  258 SER C OG    
1375 N N     . ALA C 98  ? 0.4594 0.7340 0.2805 -0.0051 -0.0214 -0.0025 259 ALA C N     
1376 C CA    . ALA C 98  ? 0.5460 0.8065 0.3548 -0.0006 -0.0217 -0.0075 259 ALA C CA    
1377 C C     . ALA C 98  ? 0.5114 0.7798 0.3180 0.0037  -0.0150 -0.0089 259 ALA C C     
1378 O O     . ALA C 98  ? 0.4892 0.7469 0.2865 0.0078  -0.0118 -0.0124 259 ALA C O     
1379 C CB    . ALA C 98  ? 0.5194 0.7696 0.3216 -0.0019 -0.0272 -0.0125 259 ALA C CB    
1380 N N     . LEU C 99  ? 0.4798 0.7655 0.2944 0.0028  -0.0125 -0.0067 260 LEU C N     
1381 C CA    . LEU C 99  ? 0.5147 0.8093 0.3324 0.0063  -0.0083 -0.0077 260 LEU C CA    
1382 C C     . LEU C 99  ? 0.5410 0.8393 0.3641 0.0094  -0.0087 -0.0035 260 LEU C C     
1383 O O     . LEU C 99  ? 0.5320 0.8389 0.3619 0.0122  -0.0073 -0.0041 260 LEU C O     
1384 C CB    . LEU C 99  ? 0.4661 0.7726 0.2908 0.0038  -0.0078 -0.0089 260 LEU C CB    
1385 C CG    . LEU C 99  ? 0.4157 0.7160 0.2407 0.0016  -0.0078 -0.0127 260 LEU C CG    
1386 C CD1   . LEU C 99  ? 0.3254 0.6352 0.1597 -0.0009 -0.0079 -0.0134 260 LEU C CD1   
1387 C CD2   . LEU C 99  ? 0.5652 0.8597 0.3863 0.0043  -0.0036 -0.0157 260 LEU C CD2   
1388 N N     . LEU C 100 ? 0.5795 0.8706 0.4011 0.0088  -0.0117 0.0009  261 LEU C N     
1389 C CA    . LEU C 100 ? 0.5742 0.8664 0.3993 0.0120  -0.0137 0.0059  261 LEU C CA    
1390 C C     . LEU C 100 ? 0.6461 0.9228 0.4705 0.0158  -0.0138 0.0062  261 LEU C C     
1391 O O     . LEU C 100 ? 0.5852 0.8486 0.4035 0.0141  -0.0143 0.0039  261 LEU C O     
1392 C CB    . LEU C 100 ? 0.5242 0.8196 0.3466 0.0082  -0.0162 0.0126  261 LEU C CB    
1393 C CG    . LEU C 100 ? 0.5882 0.8949 0.4086 0.0037  -0.0144 0.0119  261 LEU C CG    
1394 C CD1   . LEU C 100 ? 0.5425 0.8486 0.3587 0.0002  -0.0136 0.0193  261 LEU C CD1   
1395 C CD2   . LEU C 100 ? 0.4326 0.7514 0.2537 0.0060  -0.0148 0.0085  261 LEU C CD2   
1396 N N     . PRO C 101 ? 0.6483 0.9251 0.4792 0.0213  -0.0147 0.0086  262 PRO C N     
1397 C CA    . PRO C 101 ? 0.6586 0.9194 0.4893 0.0257  -0.0149 0.0089  262 PRO C CA    
1398 C C     . PRO C 101 ? 0.8156 1.0648 0.6408 0.0215  -0.0195 0.0140  262 PRO C C     
1399 O O     . PRO C 101 ? 0.7466 1.0017 0.5699 0.0155  -0.0214 0.0186  262 PRO C O     
1400 C CB    . PRO C 101 ? 0.6346 0.9015 0.4775 0.0323  -0.0167 0.0118  262 PRO C CB    
1401 C CG    . PRO C 101 ? 0.6097 0.8931 0.4547 0.0297  -0.0210 0.0151  262 PRO C CG    
1402 C CD    . PRO C 101 ? 0.6429 0.9336 0.4827 0.0243  -0.0171 0.0105  262 PRO C CD    
1403 N N     . ALA C 102 ? 0.8837 1.1153 0.7074 0.0247  -0.0204 0.0131  263 ALA C N     
1404 C CA    . ALA C 102 ? 0.7600 0.9766 0.5807 0.0207  -0.0251 0.0169  263 ALA C CA    
1405 C C     . ALA C 102 ? 0.8312 1.0542 0.6544 0.0155  -0.0279 0.0270  263 ALA C C     
1406 O O     . ALA C 102 ? 0.8525 1.0693 0.6761 0.0088  -0.0295 0.0305  263 ALA C O     
1407 C CB    . ALA C 102 ? 0.7832 0.9813 0.6044 0.0272  -0.0263 0.0157  263 ALA C CB    
1408 O "O5'" . 3D1 D .   ? 0.7120 1.2925 0.4749 -0.1505 0.0610  -0.1757 101 3D1 A "O5'" 
1409 C "C5'" . 3D1 D .   ? 0.6318 1.1749 0.3858 -0.1495 0.0730  -0.1755 101 3D1 A "C5'" 
1410 C "C4'" . 3D1 D .   ? 0.6072 1.1465 0.3625 -0.1646 0.0875  -0.1890 101 3D1 A "C4'" 
1411 O "O4'" . 3D1 D .   ? 0.6923 1.2604 0.4566 -0.1590 0.0746  -0.1876 101 3D1 A "O4'" 
1412 C "C1'" . 3D1 D .   ? 0.5895 1.1360 0.3489 -0.1453 0.0723  -0.1796 101 3D1 A "C1'" 
1413 N N9    . 3D1 D .   ? 0.5749 1.1350 0.3367 -0.1238 0.0513  -0.1647 101 3D1 A N9    
1414 C C4    . 3D1 D .   ? 0.5630 1.1100 0.3187 -0.1073 0.0397  -0.1499 101 3D1 A C4    
1415 N N3    . 3D1 D .   ? 0.5648 1.0900 0.3130 -0.1067 0.0435  -0.1451 101 3D1 A N3    
1416 C C2    . 3D1 D .   ? 0.5791 1.0973 0.3225 -0.0910 0.0290  -0.1304 101 3D1 A C2    
1417 N N1    . 3D1 D .   ? 0.5517 1.0751 0.2943 -0.0763 0.0145  -0.1207 101 3D1 A N1    
1418 C C6    . 3D1 D .   ? 0.5999 1.1441 0.3491 -0.0746 0.0125  -0.1251 101 3D1 A C6    
1419 N N6    . 3D1 D .   ? 0.5967 1.1436 0.3426 -0.0579 0.0010  -0.1149 101 3D1 A N6    
1420 C C5    . 3D1 D .   ? 0.5550 1.1155 0.3127 -0.0913 0.0246  -0.1404 101 3D1 A C5    
1421 N N7    . 3D1 D .   ? 0.5557 1.1430 0.3224 -0.0960 0.0260  -0.1482 101 3D1 A N7    
1422 C C8    . 3D1 D .   ? 0.5649 1.1522 0.3343 -0.1167 0.0411  -0.1629 101 3D1 A C8    
1423 C "C2'" . 3D1 D .   ? 0.5980 1.1035 0.3458 -0.1435 0.0863  -0.1761 101 3D1 A "C2'" 
1424 C "C3'" . 3D1 D .   ? 0.6398 1.1385 0.3853 -0.1616 0.1029  -0.1876 101 3D1 A "C3'" 
1425 O "O3'" . 3D1 D .   ? 0.6402 1.1260 0.3838 -0.1810 0.1231  -0.2029 101 3D1 A "O3'" 
1426 O "O5'" . THM E .   ? 0.8620 1.0473 0.7771 -0.0453 0.1797  0.3181  101 THM B "O5'" 
1427 C "C5'" . THM E .   ? 0.8574 1.0677 0.7777 -0.0464 0.1495  0.3187  101 THM B "C5'" 
1428 C "C4'" . THM E .   ? 0.7480 0.9917 0.6751 -0.0548 0.1218  0.2995  101 THM B "C4'" 
1429 O "O4'" . THM E .   ? 0.7529 0.9627 0.6649 -0.0760 0.1339  0.2712  101 THM B "O4'" 
1430 C "C3'" . THM E .   ? 0.7094 0.9798 0.6419 -0.0432 0.1118  0.2963  101 THM B "C3'" 
1431 O "O3'" . THM E .   ? 0.7171 1.0416 0.6667 -0.0444 0.0781  0.2955  101 THM B "O3'" 
1432 C "C2'" . THM E .   ? 0.7452 0.9955 0.6667 -0.0555 0.1287  0.2751  101 THM B "C2'" 
1433 C "C1'" . THM E .   ? 0.7497 0.9833 0.6652 -0.0758 0.1278  0.2581  101 THM B "C1'" 
1434 N N1    . THM E .   ? 0.7264 0.9457 0.6419 -0.0935 0.1567  0.2417  101 THM B N1    
1435 C C2    . THM E .   ? 0.6272 0.8677 0.5458 -0.1070 0.1459  0.2192  101 THM B C2    
1436 O O2    . THM E .   ? 0.6187 0.8801 0.5335 -0.1036 0.1137  0.2143  101 THM B O2    
1437 N N3    . THM E .   ? 0.6770 0.9184 0.6060 -0.1259 0.1755  0.1998  101 THM B N3    
1438 C C4    . THM E .   ? 0.7071 0.9193 0.6421 -0.1354 0.2188  0.1987  101 THM B C4    
1439 O O4    . THM E .   ? 0.7088 0.9313 0.6621 -0.1558 0.2436  0.1740  101 THM B O4    
1440 C C5    . THM E .   ? 0.6742 0.8543 0.5959 -0.1203 0.2279  0.2261  101 THM B C5    
1441 C C5M   . THM E .   ? 0.7002 0.8479 0.6208 -0.1298 0.2704  0.2291  101 THM B C5M   
1442 C C6    . THM E .   ? 0.7084 0.8991 0.6238 -0.0979 0.1950  0.2472  101 THM B C6    
# 
