data_9J1N
# 
_entry.id   9J1N 
# 
_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   9J1N         pdb_00009j1n 10.2210/pdb9j1n/pdb 
WWPDB D_1300049844 ?            ?                   
# 
_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                        9J1N 
_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          9J1O 
_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*AP*GP*AP*AP*TP*TP*GP*G)-3')
;
4706.098  1  ? ? ? ? 
2 polymer     syn 
;DNA (5'-D(*(THM)P*CP*CP*AP*AP*TP*TP*CP*TP*CP*TP*TP*TP*TP*CP*A)-3')
;
4469.921  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 water       nat water                                                                         18.015    54 ? ? ? ? 
# 
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)(DA)(DG)(DA)(DA)(DT)(DT)(DG)(DG)' TGAAAAGAGAATTGG A ? 
2 polydeoxyribonucleotide no no '(DC)(DC)(DA)(DA)(DT)(DT)(DC)(DT)(DC)(DT)(DT)(DT)(DT)(DC)(DA)' CCAATTCTCTTTTCA 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 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   DA  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   DT  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 
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   DA  8   9   9   DA  DA  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   DT  8   9   9   DT  DT  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 ?   ?   ?   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 HOH 1  201 28 HOH HOH A . 
F 6 HOH 2  202 44 HOH HOH A . 
F 6 HOH 3  203 17 HOH HOH A . 
F 6 HOH 4  204 26 HOH HOH A . 
F 6 HOH 5  205 15 HOH HOH A . 
F 6 HOH 6  206 45 HOH HOH A . 
F 6 HOH 7  207 16 HOH HOH A . 
F 6 HOH 8  208 8  HOH HOH A . 
F 6 HOH 9  209 51 HOH HOH A . 
G 6 HOH 1  201 12 HOH HOH B . 
G 6 HOH 2  202 2  HOH HOH B . 
G 6 HOH 3  203 41 HOH HOH B . 
G 6 HOH 4  204 39 HOH HOH B . 
G 6 HOH 5  205 42 HOH HOH B . 
G 6 HOH 6  206 7  HOH HOH B . 
G 6 HOH 7  207 13 HOH HOH B . 
G 6 HOH 8  208 18 HOH HOH B . 
G 6 HOH 9  209 22 HOH HOH B . 
G 6 HOH 10 210 49 HOH HOH B . 
H 6 HOH 1  301 33 HOH HOH C . 
H 6 HOH 2  302 25 HOH HOH C . 
H 6 HOH 3  303 46 HOH HOH C . 
H 6 HOH 4  304 23 HOH HOH C . 
H 6 HOH 5  305 37 HOH HOH C . 
H 6 HOH 6  306 47 HOH HOH C . 
H 6 HOH 7  307 32 HOH HOH C . 
H 6 HOH 8  308 19 HOH HOH C . 
H 6 HOH 9  309 1  HOH HOH C . 
H 6 HOH 10 310 30 HOH HOH C . 
H 6 HOH 11 311 5  HOH HOH C . 
H 6 HOH 12 312 38 HOH HOH C . 
H 6 HOH 13 313 6  HOH HOH C . 
H 6 HOH 14 314 31 HOH HOH C . 
H 6 HOH 15 315 4  HOH HOH C . 
H 6 HOH 16 316 9  HOH HOH C . 
H 6 HOH 17 317 43 HOH HOH C . 
H 6 HOH 18 318 14 HOH HOH C . 
H 6 HOH 19 319 29 HOH HOH C . 
H 6 HOH 20 320 11 HOH HOH C . 
H 6 HOH 21 321 35 HOH HOH C . 
H 6 HOH 22 322 3  HOH HOH C . 
H 6 HOH 23 323 53 HOH HOH C . 
H 6 HOH 24 324 20 HOH HOH C . 
H 6 HOH 25 325 40 HOH HOH C . 
H 6 HOH 26 326 27 HOH HOH C . 
H 6 HOH 27 327 50 HOH HOH C . 
H 6 HOH 28 328 52 HOH HOH C . 
H 6 HOH 29 329 21 HOH HOH C . 
H 6 HOH 30 330 48 HOH HOH C . 
H 6 HOH 31 331 54 HOH HOH C . 
H 6 HOH 32 332 10 HOH HOH C . 
H 6 HOH 33 333 36 HOH HOH C . 
H 6 HOH 34 334 24 HOH HOH C . 
H 6 HOH 35 335 34 HOH HOH C . 
# 
loop_
_pdbx_unobs_or_zero_occ_atoms.id 
_pdbx_unobs_or_zero_occ_atoms.PDB_model_num 
_pdbx_unobs_or_zero_occ_atoms.polymer_flag 
_pdbx_unobs_or_zero_occ_atoms.occupancy_flag 
_pdbx_unobs_or_zero_occ_atoms.auth_asym_id 
_pdbx_unobs_or_zero_occ_atoms.auth_comp_id 
_pdbx_unobs_or_zero_occ_atoms.auth_seq_id 
_pdbx_unobs_or_zero_occ_atoms.PDB_ins_code 
_pdbx_unobs_or_zero_occ_atoms.auth_atom_id 
_pdbx_unobs_or_zero_occ_atoms.label_alt_id 
_pdbx_unobs_or_zero_occ_atoms.label_asym_id 
_pdbx_unobs_or_zero_occ_atoms.label_comp_id 
_pdbx_unobs_or_zero_occ_atoms.label_seq_id 
_pdbx_unobs_or_zero_occ_atoms.label_atom_id 
1 1 Y 1 C GLN 230 ? CG  ? C GLN 69 CG  
2 1 Y 1 C GLN 230 ? CD  ? C GLN 69 CD  
3 1 Y 1 C GLN 230 ? OE1 ? C GLN 69 OE1 
4 1 Y 1 C GLN 230 ? NE2 ? C GLN 69 NE2 
# 
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                     9J1N 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     33.290 
_cell.length_a_esd                 ? 
_cell.length_b                     53.810 
_cell.length_b_esd                 ? 
_cell.length_c                     100.250 
_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                         9J1N 
_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                   9J1N 
_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             2.08 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          40.95 
_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                     'IMAGE PLATE' 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         'RIGAKU RAXIS VII' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2022-07-14 
_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   1.5418 
_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                      'ROTATING ANODE' 
_diffrn_source.target                      ? 
_diffrn_source.type                        'RIGAKU MICROMAX-007 HF' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        1.5418 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   ? 
_diffrn_source.pdbx_synchrotron_site       ? 
# 
_reflns.B_iso_Wilson_estimate                          ? 
_reflns.entry_id                                       9J1N 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              2.24 
_reflns.d_resolution_low                               50 
_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                                     9111 
_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                           99.6 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                6.84 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          9.47 
_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                                   0.996 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              0.123 
_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                                    2.24 
_reflns_shell.d_res_low                                     2.30 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           1.98 
_reflns_shell.number_measured_all                           ? 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             4528 
_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                               7.01 
_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                                  0.70 
_reflns_shell.pdbx_CC_star                                  ? 
_reflns_shell.pdbx_R_split                                  ? 
_reflns_shell.percent_possible_all                          100 
_reflns_shell.Rmerge_I_all                                  ? 
_reflns_shell.Rmerge_I_obs                                  1.01 
_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                                 9J1N 
_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                            2.24 
_refine.ls_d_res_low                             19.31 
_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                     9111 
_refine.ls_number_reflns_R_free                  437 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.67 
_refine.ls_percent_reflns_R_free                 4.80 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.2163 
_refine.ls_R_factor_R_free                       0.2444 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.2148 
_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                          1.35 
_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                 30.37 
_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                            0.31 
_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        784 
_refine_hist.pdbx_number_atoms_nucleic_acid   615 
_refine_hist.pdbx_number_atoms_ligand         35 
_refine_hist.number_atoms_solvent             54 
_refine_hist.number_atoms_total               1488 
_refine_hist.d_res_high                       2.24 
_refine_hist.d_res_low                        19.31 
# 
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' ? 0.003  ? 1528 ? f_bond_d           ? ? 
'X-RAY DIFFRACTION' ? 0.639  ? 2187 ? f_angle_d          ? ? 
'X-RAY DIFFRACTION' ? 24.166 ? 643  ? f_dihedral_angle_d ? ? 
'X-RAY DIFFRACTION' ? 0.035  ? 235  ? f_chiral_restr     ? ? 
'X-RAY DIFFRACTION' ? 0.003  ? 164  ? 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' 2.24 2.56  . . 162 2823 100.00 . . . . 0.2780 . . . . . . . . . . . 0.3142 
'X-RAY DIFFRACTION' 2.56 3.23  . . 140 2836 100.00 . . . . 0.2552 . . . . . . . . . . . 0.2618 
'X-RAY DIFFRACTION' 3.23 19.31 . . 135 3015 99.00  . . . . 0.1862 . . . . . . . . . . . 0.2196 
# 
_struct.entry_id                     9J1N 
_struct.title                        'Mouse Spi-B Ets domain in complex with DNA containing AGAA 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        9J1N 
_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 6 ? 
H N N 6 ? 
# 
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 9J1N       9J1N   ? 1 ? 1   
2 PDB 9J1N       9J1N   ? 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 9J1N A 1 ? 15  ? 9J1N   2   ? 16  ? 2   16  
2 2 9J1N B 1 ? 15  ? 9J1N   2   ? 16  ? 2   16  
3 3 9J1N 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 9J1N ? C ? ? UNP O35906 GLU 162 deletion ? 1 
3 9J1N ? 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)' 3910  ? 
1 MORE         -23   ? 
1 'SSA (A^2)'  10470 ? 
# 
_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 
# 
_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 ? TYR C 78  ? THR C 228 TYR C 239 1 ? 12 
HELX_P HELX_P5 AA5 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 ? ? ? ? ? ? ?            1.604 ? ? 
covale2  covale one ? B DC 1  P  ? ? ? 1_555 E THM .  "O3'" ? ? B DC 2  B THM 101 1_555 ? ? ? ? ? ? ?            1.606 ? ? 
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 DA 8  N1 ? ? ? 1_555 B DT  8  N3    ? ? A DA 9  B DT  9   1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog18 hydrog ?   ? A DA 8  N6 ? ? ? 1_555 B DT  8  O4    ? ? A DA 9  B DT  9   1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog19 hydrog ?   ? A DG 9  N1 ? ? ? 1_555 B DC  7  N3    ? ? A DG 10 B DC  8   1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog20 hydrog ?   ? A DG 9  N2 ? ? ? 1_555 B DC  7  O2    ? ? A DG 10 B DC  8   1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog21 hydrog ?   ? A DG 9  O6 ? ? ? 1_555 B DC  7  N4    ? ? A DG 10 B DC  8   1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog22 hydrog ?   ? A DA 10 N1 ? ? ? 1_555 B DT  6  N3    ? ? A DA 11 B DT  7   1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog23 hydrog ?   ? A DA 10 N6 ? ? ? 1_555 B DT  6  O4    ? ? A DA 11 B DT  7   1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog24 hydrog ?   ? A DA 11 N1 ? ? ? 1_555 B DT  5  N3    ? ? A DA 12 B DT  6   1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog25 hydrog ?   ? A DA 11 N6 ? ? ? 1_555 B DT  5  O4    ? ? A DA 12 B DT  6   1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog26 hydrog ?   ? A DT 12 N3 ? ? ? 1_555 B DA  4  N1    ? ? A DT 13 B DA  5   1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog27 hydrog ?   ? A DT 12 O4 ? ? ? 1_555 B DA  4  N6    ? ? A DT 13 B DA  5   1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog28 hydrog ?   ? A DT 13 N3 ? ? ? 1_555 B DA  3  N1    ? ? A DT 14 B DA  4   1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog29 hydrog ?   ? A DT 13 O4 ? ? ? 1_555 B DA  3  N6    ? ? A DT 14 B DA  4   1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog30 hydrog ?   ? A DG 14 N1 ? ? ? 1_555 B DC  2  N3    ? ? A DG 15 B DC  3   1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog31 hydrog ?   ? A DG 14 N2 ? ? ? 1_555 B DC  2  O2    ? ? A DG 15 B DC  3   1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog32 hydrog ?   ? A DG 14 O6 ? ? ? 1_555 B DC  2  N4    ? ? A DG 15 B DC  3   1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog33 hydrog ?   ? A DG 15 N1 ? ? ? 1_555 B DC  1  N3    ? ? A DG 16 B DC  2   1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog34 hydrog ?   ? A DG 15 N2 ? ? ? 1_555 B DC  1  O2    ? ? A DG 16 B DC  2   1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog35 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                   9J1N 
_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_torsion.id              1 
_pdbx_validate_torsion.PDB_model_num   1 
_pdbx_validate_torsion.auth_comp_id    PRO 
_pdbx_validate_torsion.auth_asym_id    C 
_pdbx_validate_torsion.auth_seq_id     262 
_pdbx_validate_torsion.PDB_ins_code    ? 
_pdbx_validate_torsion.label_alt_id    ? 
_pdbx_validate_torsion.phi             -66.20 
_pdbx_validate_torsion.psi             -168.50 
# 
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 -11.147 -2.908 -12.383 0.4308 0.4652 0.3703 -0.0961 0.0050 -0.0248 3.5286 1.5514 3.2204 -1.5388 
3.3781 -0.3212 0.1420 0.2505  -0.4096 -0.0612 -0.4584 -0.0931 -0.0816 -0.3027 0.1670  
'X-RAY DIFFRACTION' 2 ? refined -11.530 -1.465 -9.623  0.2408 0.3949 0.3398 -0.1034 0.0637 0.0397  3.1386 2.9363 7.1710 -1.1130 
2.3645 1.5983  0.3481 -0.0548 -0.2945 0.3920  -0.2507 0.0016  -0.0829 0.2706  -0.1340 
'X-RAY DIFFRACTION' 3 ? refined -0.848  9.119  -9.658  0.2034 0.3217 0.3039 0.0007  0.0201 -0.0378 2.5531 3.6510 3.6360 0.3971  
0.3004 0.2720  0.0274 0.1144  -0.1233 0.2349  -0.2627 -0.1952 -0.3518 0.0813  0.1184  
# 
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 170 C 263 '( CHAIN C AND RESID 170:263 )' ? ? ? ? ? 
# 
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 GLY 169 ? C GLY 8   
9  1 Y 1 C SER 264 ? C SER 103 
10 1 Y 1 C ARG 265 ? C ARG 104 
11 1 Y 1 C HIS 266 ? C HIS 105 
12 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 
PHE N      N N N 424 
PHE CA     C N S 425 
PHE C      C N N 426 
PHE O      O N N 427 
PHE CB     C N N 428 
PHE CG     C Y N 429 
PHE CD1    C Y N 430 
PHE CD2    C Y N 431 
PHE CE1    C Y N 432 
PHE CE2    C Y N 433 
PHE CZ     C Y N 434 
PHE OXT    O N N 435 
PHE H      H N N 436 
PHE H2     H N N 437 
PHE HA     H N N 438 
PHE HB2    H N N 439 
PHE HB3    H N N 440 
PHE HD1    H N N 441 
PHE HD2    H N N 442 
PHE HE1    H N N 443 
PHE HE2    H N N 444 
PHE HZ     H N N 445 
PHE HXT    H N N 446 
PRO N      N N N 447 
PRO CA     C N S 448 
PRO C      C N N 449 
PRO O      O N N 450 
PRO CB     C N N 451 
PRO CG     C N N 452 
PRO CD     C N N 453 
PRO OXT    O N N 454 
PRO H      H N N 455 
PRO HA     H N N 456 
PRO HB2    H N N 457 
PRO HB3    H N N 458 
PRO HG2    H N N 459 
PRO HG3    H N N 460 
PRO HD2    H N N 461 
PRO HD3    H N N 462 
PRO HXT    H N N 463 
SER N      N N N 464 
SER CA     C N S 465 
SER C      C N N 466 
SER O      O N N 467 
SER CB     C N N 468 
SER OG     O N N 469 
SER OXT    O N N 470 
SER H      H N N 471 
SER H2     H N N 472 
SER HA     H N N 473 
SER HB2    H N N 474 
SER HB3    H N N 475 
SER HG     H N N 476 
SER HXT    H N N 477 
THM "O5'"  O N N 478 
THM "C5'"  C N N 479 
THM "C4'"  C N R 480 
THM "O4'"  O N N 481 
THM "C3'"  C N S 482 
THM "O3'"  O N N 483 
THM "C2'"  C N N 484 
THM "C1'"  C N R 485 
THM N1     N N N 486 
THM C2     C N N 487 
THM O2     O N N 488 
THM N3     N N N 489 
THM C4     C N N 490 
THM O4     O N N 491 
THM C5     C N N 492 
THM C5M    C N N 493 
THM C6     C N N 494 
THM "HO5'" H N N 495 
THM "H5'1" H N N 496 
THM "H5'2" H N N 497 
THM "H4'"  H N N 498 
THM "H3'"  H N N 499 
THM "HO3'" H N N 500 
THM "H2'1" H N N 501 
THM "H2'2" H N N 502 
THM "H1'"  H N N 503 
THM HN3    H N N 504 
THM HM51   H N N 505 
THM HM52   H N N 506 
THM HM53   H N N 507 
THM H6     H N N 508 
THR N      N N N 509 
THR CA     C N S 510 
THR C      C N N 511 
THR O      O N N 512 
THR CB     C N R 513 
THR OG1    O N N 514 
THR CG2    C N N 515 
THR OXT    O N N 516 
THR H      H N N 517 
THR H2     H N N 518 
THR HA     H N N 519 
THR HB     H N N 520 
THR HG1    H N N 521 
THR HG21   H N N 522 
THR HG22   H N N 523 
THR HG23   H N N 524 
THR HXT    H N N 525 
TRP N      N N N 526 
TRP CA     C N S 527 
TRP C      C N N 528 
TRP O      O N N 529 
TRP CB     C N N 530 
TRP CG     C Y N 531 
TRP CD1    C Y N 532 
TRP CD2    C Y N 533 
TRP NE1    N Y N 534 
TRP CE2    C Y N 535 
TRP CE3    C Y N 536 
TRP CZ2    C Y N 537 
TRP CZ3    C Y N 538 
TRP CH2    C Y N 539 
TRP OXT    O N N 540 
TRP H      H N N 541 
TRP H2     H N N 542 
TRP HA     H N N 543 
TRP HB2    H N N 544 
TRP HB3    H N N 545 
TRP HD1    H N N 546 
TRP HE1    H N N 547 
TRP HE3    H N N 548 
TRP HZ2    H N N 549 
TRP HZ3    H N N 550 
TRP HH2    H N N 551 
TRP HXT    H N N 552 
TYR N      N N N 553 
TYR CA     C N S 554 
TYR C      C N N 555 
TYR O      O N N 556 
TYR CB     C N N 557 
TYR CG     C Y N 558 
TYR CD1    C Y N 559 
TYR CD2    C Y N 560 
TYR CE1    C Y N 561 
TYR CE2    C Y N 562 
TYR CZ     C Y N 563 
TYR OH     O N N 564 
TYR OXT    O N N 565 
TYR H      H N N 566 
TYR H2     H N N 567 
TYR HA     H N N 568 
TYR HB2    H N N 569 
TYR HB3    H N N 570 
TYR HD1    H N N 571 
TYR HD2    H N N 572 
TYR HE1    H N N 573 
TYR HE2    H N N 574 
TYR HH     H N N 575 
TYR HXT    H N N 576 
VAL N      N N N 577 
VAL CA     C N S 578 
VAL C      C N N 579 
VAL O      O N N 580 
VAL CB     C N N 581 
VAL CG1    C N N 582 
VAL CG2    C N N 583 
VAL OXT    O N N 584 
VAL H      H N N 585 
VAL H2     H N N 586 
VAL HA     H N N 587 
VAL HB     H N N 588 
VAL HG11   H N N 589 
VAL HG12   H N N 590 
VAL HG13   H N N 591 
VAL HG21   H N N 592 
VAL HG22   H N N 593 
VAL HG23   H N N 594 
VAL HXT    H N N 595 
# 
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 
PHE N     CA     sing N N 419 
PHE N     H      sing N N 420 
PHE N     H2     sing N N 421 
PHE CA    C      sing N N 422 
PHE CA    CB     sing N N 423 
PHE CA    HA     sing N N 424 
PHE C     O      doub N N 425 
PHE C     OXT    sing N N 426 
PHE CB    CG     sing N N 427 
PHE CB    HB2    sing N N 428 
PHE CB    HB3    sing N N 429 
PHE CG    CD1    doub Y N 430 
PHE CG    CD2    sing Y N 431 
PHE CD1   CE1    sing Y N 432 
PHE CD1   HD1    sing N N 433 
PHE CD2   CE2    doub Y N 434 
PHE CD2   HD2    sing N N 435 
PHE CE1   CZ     doub Y N 436 
PHE CE1   HE1    sing N N 437 
PHE CE2   CZ     sing Y N 438 
PHE CE2   HE2    sing N N 439 
PHE CZ    HZ     sing N N 440 
PHE OXT   HXT    sing N N 441 
PRO N     CA     sing N N 442 
PRO N     CD     sing N N 443 
PRO N     H      sing N N 444 
PRO CA    C      sing N N 445 
PRO CA    CB     sing N N 446 
PRO CA    HA     sing N N 447 
PRO C     O      doub N N 448 
PRO C     OXT    sing N N 449 
PRO CB    CG     sing N N 450 
PRO CB    HB2    sing N N 451 
PRO CB    HB3    sing N N 452 
PRO CG    CD     sing N N 453 
PRO CG    HG2    sing N N 454 
PRO CG    HG3    sing N N 455 
PRO CD    HD2    sing N N 456 
PRO CD    HD3    sing N N 457 
PRO OXT   HXT    sing N N 458 
SER N     CA     sing N N 459 
SER N     H      sing N N 460 
SER N     H2     sing N N 461 
SER CA    C      sing N N 462 
SER CA    CB     sing N N 463 
SER CA    HA     sing N N 464 
SER C     O      doub N N 465 
SER C     OXT    sing N N 466 
SER CB    OG     sing N N 467 
SER CB    HB2    sing N N 468 
SER CB    HB3    sing N N 469 
SER OG    HG     sing N N 470 
SER OXT   HXT    sing N N 471 
THM "O5'" "C5'"  sing N N 472 
THM "O5'" "HO5'" sing N N 473 
THM "C5'" "C4'"  sing N N 474 
THM "C5'" "H5'1" sing N N 475 
THM "C5'" "H5'2" sing N N 476 
THM "C4'" "O4'"  sing N N 477 
THM "C4'" "C3'"  sing N N 478 
THM "C4'" "H4'"  sing N N 479 
THM "O4'" "C1'"  sing N N 480 
THM "C3'" "O3'"  sing N N 481 
THM "C3'" "C2'"  sing N N 482 
THM "C3'" "H3'"  sing N N 483 
THM "O3'" "HO3'" sing N N 484 
THM "C2'" "C1'"  sing N N 485 
THM "C2'" "H2'1" sing N N 486 
THM "C2'" "H2'2" sing N N 487 
THM "C1'" N1     sing N N 488 
THM "C1'" "H1'"  sing N N 489 
THM N1    C2     sing N N 490 
THM N1    C6     sing N N 491 
THM C2    O2     doub N N 492 
THM C2    N3     sing N N 493 
THM N3    C4     sing N N 494 
THM N3    HN3    sing N N 495 
THM C4    O4     doub N N 496 
THM C4    C5     sing N N 497 
THM C5    C5M    sing N N 498 
THM C5    C6     doub N N 499 
THM C5M   HM51   sing N N 500 
THM C5M   HM52   sing N N 501 
THM C5M   HM53   sing N N 502 
THM C6    H6     sing N N 503 
THR N     CA     sing N N 504 
THR N     H      sing N N 505 
THR N     H2     sing N N 506 
THR CA    C      sing N N 507 
THR CA    CB     sing N N 508 
THR CA    HA     sing N N 509 
THR C     O      doub N N 510 
THR C     OXT    sing N N 511 
THR CB    OG1    sing N N 512 
THR CB    CG2    sing N N 513 
THR CB    HB     sing N N 514 
THR OG1   HG1    sing N N 515 
THR CG2   HG21   sing N N 516 
THR CG2   HG22   sing N N 517 
THR CG2   HG23   sing N N 518 
THR OXT   HXT    sing N N 519 
TRP N     CA     sing N N 520 
TRP N     H      sing N N 521 
TRP N     H2     sing N N 522 
TRP CA    C      sing N N 523 
TRP CA    CB     sing N N 524 
TRP CA    HA     sing N N 525 
TRP C     O      doub N N 526 
TRP C     OXT    sing N N 527 
TRP CB    CG     sing N N 528 
TRP CB    HB2    sing N N 529 
TRP CB    HB3    sing N N 530 
TRP CG    CD1    doub Y N 531 
TRP CG    CD2    sing Y N 532 
TRP CD1   NE1    sing Y N 533 
TRP CD1   HD1    sing N N 534 
TRP CD2   CE2    doub Y N 535 
TRP CD2   CE3    sing Y N 536 
TRP NE1   CE2    sing Y N 537 
TRP NE1   HE1    sing N N 538 
TRP CE2   CZ2    sing Y N 539 
TRP CE3   CZ3    doub Y N 540 
TRP CE3   HE3    sing N N 541 
TRP CZ2   CH2    doub Y N 542 
TRP CZ2   HZ2    sing N N 543 
TRP CZ3   CH2    sing Y N 544 
TRP CZ3   HZ3    sing N N 545 
TRP CH2   HH2    sing N N 546 
TRP OXT   HXT    sing N N 547 
TYR N     CA     sing N N 548 
TYR N     H      sing N N 549 
TYR N     H2     sing N N 550 
TYR CA    C      sing N N 551 
TYR CA    CB     sing N N 552 
TYR CA    HA     sing N N 553 
TYR C     O      doub N N 554 
TYR C     OXT    sing N N 555 
TYR CB    CG     sing N N 556 
TYR CB    HB2    sing N N 557 
TYR CB    HB3    sing N N 558 
TYR CG    CD1    doub Y N 559 
TYR CG    CD2    sing Y N 560 
TYR CD1   CE1    sing Y N 561 
TYR CD1   HD1    sing N N 562 
TYR CD2   CE2    doub Y N 563 
TYR CD2   HD2    sing N N 564 
TYR CE1   CZ     doub Y N 565 
TYR CE1   HE1    sing N N 566 
TYR CE2   CZ     sing Y N 567 
TYR CE2   HE2    sing N N 568 
TYR CZ    OH     sing N N 569 
TYR OH    HH     sing N N 570 
TYR OXT   HXT    sing N N 571 
VAL N     CA     sing N N 572 
VAL N     H      sing N N 573 
VAL N     H2     sing N N 574 
VAL CA    C      sing N N 575 
VAL CA    CB     sing N N 576 
VAL CA    HA     sing N N 577 
VAL C     O      doub N N 578 
VAL C     OXT    sing N N 579 
VAL CB    CG1    sing N N 580 
VAL CB    CG2    sing N N 581 
VAL CB    HB     sing N N 582 
VAL CG1   HG11   sing N N 583 
VAL CG1   HG12   sing N N 584 
VAL CG1   HG13   sing N N 585 
VAL CG2   HG21   sing N N 586 
VAL CG2   HG22   sing N N 587 
VAL CG2   HG23   sing N N 588 
VAL OXT   HXT    sing N N 589 
# 
loop_
_ndb_struct_conf_na.entry_id 
_ndb_struct_conf_na.feature 
9J1N 'double helix'        
9J1N '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 0.058  -0.048 -0.080 -3.497 -1.022  8.181  1  A_DT2:DA16_B A 2  ? B 16 ? 20 1 
1 A DG 2  1_555 B DC 14 1_555 -0.566 -0.236 0.300  18.242 -11.579 -3.306 2  A_DG3:DC15_B A 3  ? B 15 ? 19 1 
1 A DA 3  1_555 B DT 13 1_555 -0.348 0.115  0.324  12.660 -26.382 2.565  3  A_DA4:DT14_B A 4  ? B 14 ? 20 1 
1 A DA 4  1_555 B DT 12 1_555 0.584  -0.148 0.319  4.574  -27.300 1.170  4  A_DA5:DT13_B A 5  ? B 13 ? 20 1 
1 A DA 5  1_555 B DT 11 1_555 0.248  -0.178 0.151  4.613  -17.067 1.358  5  A_DA6:DT12_B A 6  ? B 12 ? 20 1 
1 A DA 6  1_555 B DT 10 1_555 0.132  -0.379 -0.101 1.583  -11.050 3.017  6  A_DA7:DT11_B A 7  ? B 11 ? 20 1 
1 A DG 7  1_555 B DC 9  1_555 -0.073 -0.327 -0.241 -2.739 -3.505  1.328  7  A_DG8:DC10_B A 8  ? B 10 ? 19 1 
1 A DA 8  1_555 B DT 8  1_555 0.199  -0.081 0.288  2.345  -10.333 15.723 8  A_DA9:DT9_B  A 9  ? B 9  ? 20 1 
1 A DG 9  1_555 B DC 7  1_555 -0.285 -0.151 -0.096 5.585  -9.394  1.394  9  A_DG10:DC8_B A 10 ? B 8  ? 19 1 
1 A DA 10 1_555 B DT 6  1_555 0.626  -0.202 0.259  12.058 -14.767 5.475  10 A_DA11:DT7_B A 11 ? B 7  ? 20 1 
1 A DA 11 1_555 B DT 5  1_555 0.316  -0.050 0.278  12.309 -22.029 3.647  11 A_DA12:DT6_B A 12 ? B 6  ? 20 1 
1 A DT 12 1_555 B DA 4  1_555 -0.109 -0.322 0.075  1.267  -23.013 -0.257 12 A_DT13:DA5_B A 13 ? B 5  ? 20 1 
1 A DT 13 1_555 B DA 3  1_555 -0.105 -0.262 -0.036 -2.121 -12.846 7.845  13 A_DT14:DA4_B A 14 ? B 4  ? 20 1 
1 A DG 14 1_555 B DC 2  1_555 0.032  -0.117 0.075  -2.499 -25.610 3.099  14 A_DG15:DC3_B A 15 ? B 3  ? 19 1 
1 A DG 15 1_555 B DC 1  1_555 -0.400 -0.078 -0.657 -9.701 -4.966  3.469  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 -0.805 1.834  2.953 0.291  -9.245 33.202 4.291  1.398  2.365 -15.801 
-0.498 34.431 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 -0.275 0.465  3.482 -1.852 -0.866 37.963 0.831  0.171  3.480 -1.330  
2.845  38.016 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 0.127  -0.405 3.379 -1.641 -3.468 42.830 -0.197 -0.341 3.394 -4.738  
2.242  42.993 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 0.399  -0.291 3.195 0.128  -3.785 35.032 0.070  -0.641 3.209 -6.266  
-0.212 35.229 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 0.163  -0.673 3.339 0.603  5.767  30.351 -2.385 -0.189 3.162 10.889  
-1.138 30.887 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 0.234  -1.262 3.387 -1.094 7.766  26.982 -4.397 -0.736 2.906 16.214  
2.283  28.078 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 DA 8  1_555 B DT 8  1_555 0.656  -0.591 3.297 -2.768 7.569  29.568 -2.581 -1.776 2.985 14.494  
5.300  30.623 7  AA_DG8DA9:DT9DC10_BB  A 8  ? B 10 ? A 9  ? B 9  ? 
1 A DA 8  1_555 B DT 8  1_555 A DG 9  1_555 B DC 7  1_555 -1.581 0.136  3.412 2.736  5.263  31.457 -0.730 3.375  3.246 9.601   
-4.990 31.998 8  AA_DA9DG10:DC8DT9_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 0.200  -0.326 3.170 -2.198 7.943  31.744 -1.885 -0.716 2.983 14.223  
3.936  32.770 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 -0.835 0.039  3.097 -2.992 4.807  34.236 -0.641 0.960  3.133 8.096   
5.039  34.687 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 0.386  -1.053 3.604 -0.420 -6.163 36.974 -0.728 -0.664 3.721 -9.636  
0.657  37.469 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 -0.393 -0.410 3.393 2.398  6.813  26.030 -2.644 1.463  3.138 14.767  
-5.198 26.997 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 -1.120 1.278  3.353 -3.439 8.768  37.933 0.766  1.226  3.633 13.241  
5.194  39.043 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 1.036  0.568  3.527 5.249  2.542  32.807 0.521  -0.837 3.676 4.457   
-9.203 33.307 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                    9J1N 
_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]   0.030039 
_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]   0.018584 
_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]   0.009975 
_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   ? -16.947 -5.456  -37.879 1.00 53.58 ? 2   DT  A P     1 
ATOM   2    O OP1   . DT  A 1 1   ? -16.557 -6.737  -38.508 1.00 56.15 ? 2   DT  A OP1   1 
ATOM   3    O OP2   . DT  A 1 1   ? -18.364 -5.189  -37.549 1.00 54.72 ? 2   DT  A OP2   1 
ATOM   4    O "O5'" . DT  A 1 1   ? -16.095 -5.262  -36.546 1.00 60.07 ? 2   DT  A "O5'" 1 
ATOM   5    C "C5'" . DT  A 1 1   ? -14.681 -5.203  -36.622 1.00 57.41 ? 2   DT  A "C5'" 1 
ATOM   6    C "C4'" . DT  A 1 1   ? -14.091 -4.806  -35.285 1.00 60.26 ? 2   DT  A "C4'" 1 
ATOM   7    O "O4'" . DT  A 1 1   ? -14.096 -3.361  -35.158 1.00 57.47 ? 2   DT  A "O4'" 1 
ATOM   8    C "C3'" . DT  A 1 1   ? -14.854 -5.345  -34.071 1.00 57.51 ? 2   DT  A "C3'" 1 
ATOM   9    O "O3'" . DT  A 1 1   ? -13.947 -5.939  -33.161 1.00 66.78 ? 2   DT  A "O3'" 1 
ATOM   10   C "C2'" . DT  A 1 1   ? -15.517 -4.100  -33.476 1.00 59.52 ? 2   DT  A "C2'" 1 
ATOM   11   C "C1'" . DT  A 1 1   ? -14.529 -3.017  -33.866 1.00 55.93 ? 2   DT  A "C1'" 1 
ATOM   12   N N1    . DT  A 1 1   ? -15.126 -1.652  -33.909 1.00 55.57 ? 2   DT  A N1    1 
ATOM   13   C C2    . DT  A 1 1   ? -14.331 -0.561  -33.644 1.00 58.73 ? 2   DT  A C2    1 
ATOM   14   O O2    . DT  A 1 1   ? -13.147 -0.647  -33.376 1.00 59.11 ? 2   DT  A O2    1 
ATOM   15   N N3    . DT  A 1 1   ? -14.977 0.646   -33.706 1.00 52.90 ? 2   DT  A N3    1 
ATOM   16   C C4    . DT  A 1 1   ? -16.310 0.866   -33.999 1.00 56.49 ? 2   DT  A C4    1 
ATOM   17   O O4    . DT  A 1 1   ? -16.798 1.991   -34.031 1.00 56.83 ? 2   DT  A O4    1 
ATOM   18   C C5    . DT  A 1 1   ? -17.087 -0.322  -34.266 1.00 51.84 ? 2   DT  A C5    1 
ATOM   19   C C7    . DT  A 1 1   ? -18.546 -0.211  -34.596 1.00 53.54 ? 2   DT  A C7    1 
ATOM   20   C C6    . DT  A 1 1   ? -16.465 -1.509  -34.208 1.00 48.93 ? 2   DT  A C6    1 
ATOM   21   P P     . DG  A 1 2   ? -14.285 -7.358  -32.488 1.00 57.49 ? 3   DG  A P     1 
ATOM   22   O OP1   . DG  A 1 2   ? -14.218 -8.387  -33.550 1.00 65.39 ? 3   DG  A OP1   1 
ATOM   23   O OP2   . DG  A 1 2   ? -15.517 -7.198  -31.684 1.00 53.03 ? 3   DG  A OP2   1 
ATOM   24   O "O5'" . DG  A 1 2   ? -13.073 -7.587  -31.477 1.00 72.00 ? 3   DG  A "O5'" 1 
ATOM   25   C "C5'" . DG  A 1 2   ? -11.738 -7.541  -31.957 1.00 67.79 ? 3   DG  A "C5'" 1 
ATOM   26   C "C4'" . DG  A 1 2   ? -10.913 -6.555  -31.157 1.00 61.47 ? 3   DG  A "C4'" 1 
ATOM   27   O "O4'" . DG  A 1 2   ? -11.496 -5.229  -31.264 1.00 60.80 ? 3   DG  A "O4'" 1 
ATOM   28   C "C3'" . DG  A 1 2   ? -10.808 -6.853  -29.661 1.00 63.85 ? 3   DG  A "C3'" 1 
ATOM   29   O "O3'" . DG  A 1 2   ? -9.500  -6.538  -29.217 1.00 68.66 ? 3   DG  A "O3'" 1 
ATOM   30   C "C2'" . DG  A 1 2   ? -11.844 -5.903  -29.063 1.00 57.87 ? 3   DG  A "C2'" 1 
ATOM   31   C "C1'" . DG  A 1 2   ? -11.679 -4.698  -29.972 1.00 59.13 ? 3   DG  A "C1'" 1 
ATOM   32   N N9    . DG  A 1 2   ? -12.837 -3.811  -29.995 1.00 60.30 ? 3   DG  A N9    1 
ATOM   33   C C8    . DG  A 1 2   ? -14.161 -4.170  -29.914 1.00 56.72 ? 3   DG  A C8    1 
ATOM   34   N N7    . DG  A 1 2   ? -14.978 -3.154  -29.960 1.00 49.95 ? 3   DG  A N7    1 
ATOM   35   C C5    . DG  A 1 2   ? -14.143 -2.050  -30.076 1.00 55.95 ? 3   DG  A C5    1 
ATOM   36   C C6    . DG  A 1 2   ? -14.457 -0.674  -30.167 1.00 52.04 ? 3   DG  A C6    1 
ATOM   37   O O6    . DG  A 1 2   ? -15.575 -0.140  -30.164 1.00 50.47 ? 3   DG  A O6    1 
ATOM   38   N N1    . DG  A 1 2   ? -13.311 0.111   -30.272 1.00 51.97 ? 3   DG  A N1    1 
ATOM   39   C C2    . DG  A 1 2   ? -12.024 -0.374  -30.286 1.00 58.71 ? 3   DG  A C2    1 
ATOM   40   N N2    . DG  A 1 2   ? -11.046 0.536   -30.393 1.00 58.94 ? 3   DG  A N2    1 
ATOM   41   N N3    . DG  A 1 2   ? -11.716 -1.661  -30.200 1.00 61.37 ? 3   DG  A N3    1 
ATOM   42   C C4    . DG  A 1 2   ? -12.822 -2.438  -30.098 1.00 57.81 ? 3   DG  A C4    1 
ATOM   43   P P     . DA  A 1 3   ? -8.923  -7.125  -27.837 1.00 76.24 ? 4   DA  A P     1 
ATOM   44   O OP1   . DA  A 1 3   ? -8.312  -8.440  -28.132 1.00 85.16 ? 4   DA  A OP1   1 
ATOM   45   O OP2   . DA  A 1 3   ? -9.963  -7.013  -26.790 1.00 63.67 ? 4   DA  A OP2   1 
ATOM   46   O "O5'" . DA  A 1 3   ? -7.767  -6.087  -27.473 1.00 74.59 ? 4   DA  A "O5'" 1 
ATOM   47   C "C5'" . DA  A 1 3   ? -7.167  -5.320  -28.511 1.00 69.26 ? 4   DA  A "C5'" 1 
ATOM   48   C "C4'" . DA  A 1 3   ? -6.954  -3.880  -28.076 1.00 72.00 ? 4   DA  A "C4'" 1 
ATOM   49   O "O4'" . DA  A 1 3   ? -8.197  -3.135  -28.202 1.00 70.01 ? 4   DA  A "O4'" 1 
ATOM   50   C "C3'" . DA  A 1 3   ? -6.502  -3.700  -26.630 1.00 67.17 ? 4   DA  A "C3'" 1 
ATOM   51   O "O3'" . DA  A 1 3   ? -5.578  -2.625  -26.548 1.00 61.78 ? 4   DA  A "O3'" 1 
ATOM   52   C "C2'" . DA  A 1 3   ? -7.810  -3.385  -25.905 1.00 51.71 ? 4   DA  A "C2'" 1 
ATOM   53   C "C1'" . DA  A 1 3   ? -8.551  -2.571  -26.954 1.00 56.51 ? 4   DA  A "C1'" 1 
ATOM   54   N N9    . DA  A 1 3   ? -10.004 -2.638  -26.821 1.00 51.13 ? 4   DA  A N9    1 
ATOM   55   C C8    . DA  A 1 3   ? -10.759 -3.761  -26.633 1.00 50.81 ? 4   DA  A C8    1 
ATOM   56   N N7    . DA  A 1 3   ? -12.048 -3.527  -26.560 1.00 57.83 ? 4   DA  A N7    1 
ATOM   57   C C5    . DA  A 1 3   ? -12.148 -2.156  -26.718 1.00 55.19 ? 4   DA  A C5    1 
ATOM   58   C C6    . DA  A 1 3   ? -13.253 -1.281  -26.738 1.00 50.12 ? 4   DA  A C6    1 
ATOM   59   N N6    . DA  A 1 3   ? -14.518 -1.690  -26.591 1.00 48.73 ? 4   DA  A N6    1 
ATOM   60   N N1    . DA  A 1 3   ? -13.006 0.033   -26.915 1.00 52.00 ? 4   DA  A N1    1 
ATOM   61   C C2    . DA  A 1 3   ? -11.738 0.438   -27.061 1.00 54.20 ? 4   DA  A C2    1 
ATOM   62   N N3    . DA  A 1 3   ? -10.620 -0.288  -27.061 1.00 48.57 ? 4   DA  A N3    1 
ATOM   63   C C4    . DA  A 1 3   ? -10.897 -1.590  -26.883 1.00 48.82 ? 4   DA  A C4    1 
ATOM   64   P P     . DA  A 1 4   ? -5.023  -2.133  -25.123 1.00 89.08 ? 5   DA  A P     1 
ATOM   65   O OP1   . DA  A 1 4   ? -3.648  -1.632  -25.345 1.00 93.76 ? 5   DA  A OP1   1 
ATOM   66   O OP2   . DA  A 1 4   ? -5.272  -3.188  -24.115 1.00 74.58 ? 5   DA  A OP2   1 
ATOM   67   O "O5'" . DA  A 1 4   ? -5.960  -0.890  -24.777 1.00 69.60 ? 5   DA  A "O5'" 1 
ATOM   68   C "C5'" . DA  A 1 4   ? -6.108  0.157   -25.721 1.00 66.50 ? 5   DA  A "C5'" 1 
ATOM   69   C "C4'" . DA  A 1 4   ? -6.956  1.275   -25.152 1.00 54.39 ? 5   DA  A "C4'" 1 
ATOM   70   O "O4'" . DA  A 1 4   ? -8.350  0.881   -25.163 1.00 48.74 ? 5   DA  A "O4'" 1 
ATOM   71   C "C3'" . DA  A 1 4   ? -6.625  1.667   -23.713 1.00 55.04 ? 5   DA  A "C3'" 1 
ATOM   72   O "O3'" . DA  A 1 4   ? -6.607  3.079   -23.606 1.00 56.76 ? 5   DA  A "O3'" 1 
ATOM   73   C "C2'" . DA  A 1 4   ? -7.771  1.048   -22.905 1.00 49.33 ? 5   DA  A "C2'" 1 
ATOM   74   C "C1'" . DA  A 1 4   ? -8.923  1.112   -23.899 1.00 53.37 ? 5   DA  A "C1'" 1 
ATOM   75   N N9    . DA  A 1 4   ? -9.945  0.091   -23.684 1.00 53.84 ? 5   DA  A N9    1 
ATOM   76   C C8    . DA  A 1 4   ? -9.743  -1.243  -23.470 1.00 51.96 ? 5   DA  A C8    1 
ATOM   77   N N7    . DA  A 1 4   ? -10.851 -1.931  -23.329 1.00 47.86 ? 5   DA  A N7    1 
ATOM   78   C C5    . DA  A 1 4   ? -11.851 -0.984  -23.475 1.00 46.52 ? 5   DA  A C5    1 
ATOM   79   C C6    . DA  A 1 4   ? -13.257 -1.075  -23.437 1.00 47.28 ? 5   DA  A C6    1 
ATOM   80   N N6    . DA  A 1 4   ? -13.915 -2.218  -23.225 1.00 48.22 ? 5   DA  A N6    1 
ATOM   81   N N1    . DA  A 1 4   ? -13.961 0.060   -23.618 1.00 45.00 ? 5   DA  A N1    1 
ATOM   82   C C2    . DA  A 1 4   ? -13.298 1.202   -23.827 1.00 48.27 ? 5   DA  A C2    1 
ATOM   83   N N3    . DA  A 1 4   ? -11.984 1.412   -23.887 1.00 47.16 ? 5   DA  A N3    1 
ATOM   84   C C4    . DA  A 1 4   ? -11.311 0.267   -23.701 1.00 48.29 ? 5   DA  A C4    1 
ATOM   85   P P     . DA  A 1 5   ? -5.994  3.800   -22.308 1.00 59.05 ? 6   DA  A P     1 
ATOM   86   O OP1   . DA  A 1 5   ? -5.173  4.945   -22.760 1.00 63.18 ? 6   DA  A OP1   1 
ATOM   87   O OP2   . DA  A 1 5   ? -5.394  2.752   -21.455 1.00 43.78 ? 6   DA  A OP2   1 
ATOM   88   O "O5'" . DA  A 1 5   ? -7.286  4.359   -21.560 1.00 55.28 ? 6   DA  A "O5'" 1 
ATOM   89   C "C5'" . DA  A 1 5   ? -8.224  5.146   -22.271 1.00 42.61 ? 6   DA  A "C5'" 1 
ATOM   90   C "C4'" . DA  A 1 5   ? -9.553  5.148   -21.549 1.00 52.24 ? 6   DA  A "C4'" 1 
ATOM   91   O "O4'" . DA  A 1 5   ? -10.172 3.854   -21.674 1.00 49.38 ? 6   DA  A "O4'" 1 
ATOM   92   C "C3'" . DA  A 1 5   ? -9.462  5.425   -20.048 1.00 46.09 ? 6   DA  A "C3'" 1 
ATOM   93   O "O3'" . DA  A 1 5   ? -10.060 6.672   -19.768 1.00 46.26 ? 6   DA  A "O3'" 1 
ATOM   94   C "C2'" . DA  A 1 5   ? -10.234 4.265   -19.390 1.00 50.47 ? 6   DA  A "C2'" 1 
ATOM   95   C "C1'" . DA  A 1 5   ? -10.995 3.658   -20.560 1.00 43.42 ? 6   DA  A "C1'" 1 
ATOM   96   N N9    . DA  A 1 5   ? -11.239 2.227   -20.420 1.00 40.04 ? 6   DA  A N9    1 
ATOM   97   C C8    . DA  A 1 5   ? -10.306 1.248   -20.224 1.00 40.28 ? 6   DA  A C8    1 
ATOM   98   N N7    . DA  A 1 5   ? -10.816 0.042   -20.139 1.00 41.40 ? 6   DA  A N7    1 
ATOM   99   C C5    . DA  A 1 5   ? -12.178 0.245   -20.292 1.00 40.83 ? 6   DA  A C5    1 
ATOM   100  C C6    . DA  A 1 5   ? -13.275 -0.639  -20.299 1.00 41.55 ? 6   DA  A C6    1 
ATOM   101  N N6    . DA  A 1 5   ? -13.156 -1.961  -20.144 1.00 40.57 ? 6   DA  A N6    1 
ATOM   102  N N1    . DA  A 1 5   ? -14.505 -0.109  -20.476 1.00 40.16 ? 6   DA  A N1    1 
ATOM   103  C C2    . DA  A 1 5   ? -14.620 1.216   -20.632 1.00 40.85 ? 6   DA  A C2    1 
ATOM   104  N N3    . DA  A 1 5   ? -13.664 2.145   -20.644 1.00 39.19 ? 6   DA  A N3    1 
ATOM   105  C C4    . DA  A 1 5   ? -12.455 1.587   -20.467 1.00 38.69 ? 6   DA  A C4    1 
ATOM   106  P P     . DA  A 1 6   ? -10.044 7.270   -18.280 1.00 49.48 ? 7   DA  A P     1 
ATOM   107  O OP1   . DA  A 1 6   ? -10.135 8.740   -18.421 1.00 44.51 ? 7   DA  A OP1   1 
ATOM   108  O OP2   . DA  A 1 6   ? -8.924  6.659   -17.530 1.00 51.57 ? 7   DA  A OP2   1 
ATOM   109  O "O5'" . DA  A 1 6   ? -11.398 6.716   -17.645 1.00 46.77 ? 7   DA  A "O5'" 1 
ATOM   110  C "C5'" . DA  A 1 6   ? -12.649 7.111   -18.172 1.00 42.49 ? 7   DA  A "C5'" 1 
ATOM   111  C "C4'" . DA  A 1 6   ? -13.752 6.298   -17.532 1.00 42.34 ? 7   DA  A "C4'" 1 
ATOM   112  O "O4'" . DA  A 1 6   ? -13.595 4.915   -17.898 1.00 42.64 ? 7   DA  A "O4'" 1 
ATOM   113  C "C3'" . DA  A 1 6   ? -13.738 6.311   -16.004 1.00 50.72 ? 7   DA  A "C3'" 1 
ATOM   114  O "O3'" . DA  A 1 6   ? -14.784 7.137   -15.511 1.00 55.60 ? 7   DA  A "O3'" 1 
ATOM   115  C "C2'" . DA  A 1 6   ? -13.927 4.837   -15.595 1.00 52.74 ? 7   DA  A "C2'" 1 
ATOM   116  C "C1'" . DA  A 1 6   ? -14.218 4.137   -16.916 1.00 39.22 ? 7   DA  A "C1'" 1 
ATOM   117  N N9    . DA  A 1 6   ? -13.678 2.782   -16.980 1.00 33.73 ? 7   DA  A N9    1 
ATOM   118  C C8    . DA  A 1 6   ? -12.361 2.417   -16.961 1.00 41.29 ? 7   DA  A C8    1 
ATOM   119  N N7    . DA  A 1 6   ? -12.170 1.119   -17.021 1.00 37.68 ? 7   DA  A N7    1 
ATOM   120  C C5    . DA  A 1 6   ? -13.451 0.597   -17.076 1.00 34.45 ? 7   DA  A C5    1 
ATOM   121  C C6    . DA  A 1 6   ? -13.936 -0.724  -17.149 1.00 36.88 ? 7   DA  A C6    1 
ATOM   122  N N6    . DA  A 1 6   ? -13.141 -1.799  -17.183 1.00 33.77 ? 7   DA  A N6    1 
ATOM   123  N N1    . DA  A 1 6   ? -15.273 -0.898  -17.189 1.00 37.98 ? 7   DA  A N1    1 
ATOM   124  C C2    . DA  A 1 6   ? -16.066 0.180   -17.155 1.00 35.74 ? 7   DA  A C2    1 
ATOM   125  N N3    . DA  A 1 6   ? -15.727 1.466   -17.086 1.00 38.31 ? 7   DA  A N3    1 
ATOM   126  C C4    . DA  A 1 6   ? -14.393 1.608   -17.048 1.00 36.97 ? 7   DA  A C4    1 
ATOM   127  P P     . DG  A 1 7   ? -14.845 7.512   -13.950 1.00 65.07 ? 8   DG  A P     1 
ATOM   128  O OP1   . DG  A 1 7   ? -15.657 8.742   -13.818 1.00 70.65 ? 8   DG  A OP1   1 
ATOM   129  O OP2   . DG  A 1 7   ? -13.466 7.482   -13.414 1.00 55.40 ? 8   DG  A OP2   1 
ATOM   130  O "O5'" . DG  A 1 7   ? -15.641 6.284   -13.309 1.00 56.45 ? 8   DG  A "O5'" 1 
ATOM   131  C "C5'" . DG  A 1 7   ? -16.864 5.857   -13.892 1.00 51.25 ? 8   DG  A "C5'" 1 
ATOM   132  C "C4'" . DG  A 1 7   ? -17.264 4.491   -13.370 1.00 46.67 ? 8   DG  A "C4'" 1 
ATOM   133  O "O4'" . DG  A 1 7   ? -16.455 3.471   -13.971 1.00 45.54 ? 8   DG  A "O4'" 1 
ATOM   134  C "C3'" . DG  A 1 7   ? -17.074 4.287   -11.874 1.00 53.79 ? 8   DG  A "C3'" 1 
ATOM   135  O "O3'" . DG  A 1 7   ? -18.284 4.553   -11.202 1.00 59.16 ? 8   DG  A "O3'" 1 
ATOM   136  C "C2'" . DG  A 1 7   ? -16.686 2.795   -11.753 1.00 56.11 ? 8   DG  A "C2'" 1 
ATOM   137  C "C1'" . DG  A 1 7   ? -16.649 2.316   -13.207 1.00 42.06 ? 8   DG  A "C1'" 1 
ATOM   138  N N9    . DG  A 1 7   ? -15.577 1.365   -13.484 1.00 38.93 ? 8   DG  A N9    1 
ATOM   139  C C8    . DG  A 1 7   ? -14.248 1.647   -13.688 1.00 41.07 ? 8   DG  A C8    1 
ATOM   140  N N7    . DG  A 1 7   ? -13.521 0.586   -13.911 1.00 37.65 ? 8   DG  A N7    1 
ATOM   141  C C5    . DG  A 1 7   ? -14.427 -0.466  -13.850 1.00 39.15 ? 8   DG  A C5    1 
ATOM   142  C C6    . DG  A 1 7   ? -14.223 -1.858  -14.014 1.00 35.00 ? 8   DG  A C6    1 
ATOM   143  O O6    . DG  A 1 7   ? -13.164 -2.456  -14.253 1.00 40.20 ? 8   DG  A O6    1 
ATOM   144  N N1    . DG  A 1 7   ? -15.410 -2.573  -13.874 1.00 33.36 ? 8   DG  A N1    1 
ATOM   145  C C2    . DG  A 1 7   ? -16.638 -2.013  -13.609 1.00 42.63 ? 8   DG  A C2    1 
ATOM   146  N N2    . DG  A 1 7   ? -17.670 -2.863  -13.508 1.00 47.86 ? 8   DG  A N2    1 
ATOM   147  N N3    . DG  A 1 7   ? -16.842 -0.712  -13.454 1.00 44.68 ? 8   DG  A N3    1 
ATOM   148  C C4    . DG  A 1 7   ? -15.696 -0.002  -13.588 1.00 37.76 ? 8   DG  A C4    1 
ATOM   149  P P     . DA  A 1 8   ? -18.291 4.729   -9.607  1.00 56.49 ? 9   DA  A P     1 
ATOM   150  O OP1   . DA  A 1 8   ? -19.491 5.518   -9.251  1.00 59.39 ? 9   DA  A OP1   1 
ATOM   151  O OP2   . DA  A 1 8   ? -16.945 5.190   -9.197  1.00 61.31 ? 9   DA  A OP2   1 
ATOM   152  O "O5'" . DA  A 1 8   ? -18.477 3.240   -9.070  1.00 62.92 ? 9   DA  A "O5'" 1 
ATOM   153  C "C5'" . DA  A 1 8   ? -19.549 2.445   -9.545  1.00 62.26 ? 9   DA  A "C5'" 1 
ATOM   154  C "C4'" . DA  A 1 8   ? -19.327 0.995   -9.176  1.00 54.37 ? 9   DA  A "C4'" 1 
ATOM   155  O "O4'" . DA  A 1 8   ? -18.276 0.452   -9.995  1.00 61.39 ? 9   DA  A "O4'" 1 
ATOM   156  C "C3'" . DA  A 1 8   ? -18.856 0.786   -7.746  1.00 57.40 ? 9   DA  A "C3'" 1 
ATOM   157  O "O3'" . DA  A 1 8   ? -19.970 0.541   -6.899  1.00 59.52 ? 9   DA  A "O3'" 1 
ATOM   158  C "C2'" . DA  A 1 8   ? -17.932 -0.440  -7.830  1.00 53.66 ? 9   DA  A "C2'" 1 
ATOM   159  C "C1'" . DA  A 1 8   ? -17.710 -0.651  -9.331  1.00 54.56 ? 9   DA  A "C1'" 1 
ATOM   160  N N9    . DA  A 1 8   ? -16.299 -0.754  -9.705  1.00 50.85 ? 9   DA  A N9    1 
ATOM   161  C C8    . DA  A 1 8   ? -15.399 0.268   -9.820  1.00 45.24 ? 9   DA  A C8    1 
ATOM   162  N N7    . DA  A 1 8   ? -14.195 -0.122  -10.169 1.00 46.49 ? 9   DA  A N7    1 
ATOM   163  C C5    . DA  A 1 8   ? -14.313 -1.497  -10.287 1.00 43.63 ? 9   DA  A C5    1 
ATOM   164  C C6    . DA  A 1 8   ? -13.387 -2.504  -10.630 1.00 35.81 ? 9   DA  A C6    1 
ATOM   165  N N6    . DA  A 1 8   ? -12.109 -2.257  -10.930 1.00 34.35 ? 9   DA  A N6    1 
ATOM   166  N N1    . DA  A 1 8   ? -13.830 -3.778  -10.654 1.00 38.05 ? 9   DA  A N1    1 
ATOM   167  C C2    . DA  A 1 8   ? -15.111 -4.021  -10.354 1.00 40.33 ? 9   DA  A C2    1 
ATOM   168  N N3    . DA  A 1 8   ? -16.071 -3.162  -10.018 1.00 45.77 ? 9   DA  A N3    1 
ATOM   169  C C4    . DA  A 1 8   ? -15.602 -1.904  -10.003 1.00 44.51 ? 9   DA  A C4    1 
ATOM   170  P P     . DG  A 1 9   ? -19.796 0.544   -5.300  1.00 53.79 ? 10  DG  A P     1 
ATOM   171  O OP1   . DG  A 1 9   ? -20.982 1.211   -4.720  1.00 56.04 ? 10  DG  A OP1   1 
ATOM   172  O OP2   . DG  A 1 9   ? -18.441 1.046   -4.983  1.00 75.49 ? 10  DG  A OP2   1 
ATOM   173  O "O5'" . DG  A 1 9   ? -19.844 -1.006  -4.918  1.00 51.08 ? 10  DG  A "O5'" 1 
ATOM   174  C "C5'" . DG  A 1 9   ? -20.904 -1.811  -5.407  1.00 62.91 ? 10  DG  A "C5'" 1 
ATOM   175  C "C4'" . DG  A 1 9   ? -20.679 -3.280  -5.093  1.00 56.98 ? 10  DG  A "C4'" 1 
ATOM   176  O "O4'" . DG  A 1 9   ? -19.518 -3.763  -5.819  1.00 57.64 ? 10  DG  A "O4'" 1 
ATOM   177  C "C3'" . DG  A 1 9   ? -20.412 -3.598  -3.629  1.00 58.75 ? 10  DG  A "C3'" 1 
ATOM   178  O "O3'" . DG  A 1 9   ? -20.965 -4.860  -3.309  1.00 64.61 ? 10  DG  A "O3'" 1 
ATOM   179  C "C2'" . DG  A 1 9   ? -18.888 -3.619  -3.550  1.00 56.08 ? 10  DG  A "C2'" 1 
ATOM   180  C "C1'" . DG  A 1 9   ? -18.505 -4.171  -4.918  1.00 49.46 ? 10  DG  A "C1'" 1 
ATOM   181  N N9    . DG  A 1 9   ? -17.225 -3.663  -5.404  1.00 56.25 ? 10  DG  A N9    1 
ATOM   182  C C8    . DG  A 1 9   ? -16.812 -2.354  -5.423  1.00 53.19 ? 10  DG  A C8    1 
ATOM   183  N N7    . DG  A 1 9   ? -15.621 -2.191  -5.929  1.00 46.17 ? 10  DG  A N7    1 
ATOM   184  C C5    . DG  A 1 9   ? -15.221 -3.474  -6.276  1.00 48.98 ? 10  DG  A C5    1 
ATOM   185  C C6    . DG  A 1 9   ? -14.017 -3.922  -6.869  1.00 44.69 ? 10  DG  A C6    1 
ATOM   186  O O6    . DG  A 1 9   ? -13.034 -3.250  -7.215  1.00 42.44 ? 10  DG  A O6    1 
ATOM   187  N N1    . DG  A 1 9   ? -14.017 -5.303  -7.051  1.00 46.72 ? 10  DG  A N1    1 
ATOM   188  C C2    . DG  A 1 9   ? -15.050 -6.142  -6.704  1.00 46.08 ? 10  DG  A C2    1 
ATOM   189  N N2    . DG  A 1 9   ? -14.867 -7.446  -6.958  1.00 37.73 ? 10  DG  A N2    1 
ATOM   190  N N3    . DG  A 1 9   ? -16.183 -5.734  -6.148  1.00 45.01 ? 10  DG  A N3    1 
ATOM   191  C C4    . DG  A 1 9   ? -16.199 -4.392  -5.964  1.00 50.39 ? 10  DG  A C4    1 
ATOM   192  P P     . DA  A 1 10  ? -21.096 -5.321  -1.777  1.00 75.54 ? 11  DA  A P     1 
ATOM   193  O OP1   . DA  A 1 10  ? -22.300 -6.175  -1.668  1.00 79.35 ? 11  DA  A OP1   1 
ATOM   194  O OP2   . DA  A 1 10  ? -20.968 -4.118  -0.925  1.00 64.97 ? 11  DA  A OP2   1 
ATOM   195  O "O5'" . DA  A 1 10  ? -19.794 -6.218  -1.554  1.00 70.01 ? 11  DA  A "O5'" 1 
ATOM   196  C "C5'" . DA  A 1 10  ? -19.396 -7.137  -2.561  1.00 66.24 ? 11  DA  A "C5'" 1 
ATOM   197  C "C4'" . DA  A 1 10  ? -18.079 -7.791  -2.199  1.00 60.40 ? 11  DA  A "C4'" 1 
ATOM   198  O "O4'" . DA  A 1 10  ? -16.989 -7.096  -2.862  1.00 58.77 ? 11  DA  A "O4'" 1 
ATOM   199  C "C3'" . DA  A 1 10  ? -17.746 -7.776  -0.706  1.00 57.60 ? 11  DA  A "C3'" 1 
ATOM   200  O "O3'" . DA  A 1 10  ? -17.217 -9.027  -0.332  1.00 66.67 ? 11  DA  A "O3'" 1 
ATOM   201  C "C2'" . DA  A 1 10  ? -16.693 -6.675  -0.601  1.00 56.53 ? 11  DA  A "C2'" 1 
ATOM   202  C "C1'" . DA  A 1 10  ? -15.971 -6.845  -1.924  1.00 56.61 ? 11  DA  A "C1'" 1 
ATOM   203  N N9    . DA  A 1 10  ? -15.229 -5.661  -2.343  1.00 49.91 ? 11  DA  A N9    1 
ATOM   204  C C8    . DA  A 1 10  ? -15.567 -4.355  -2.123  1.00 50.39 ? 11  DA  A C8    1 
ATOM   205  N N7    . DA  A 1 10  ? -14.705 -3.495  -2.613  1.00 46.89 ? 11  DA  A N7    1 
ATOM   206  C C5    . DA  A 1 10  ? -13.735 -4.294  -3.195  1.00 46.97 ? 11  DA  A C5    1 
ATOM   207  C C6    . DA  A 1 10  ? -12.546 -3.990  -3.887  1.00 40.01 ? 11  DA  A C6    1 
ATOM   208  N N6    . DA  A 1 10  ? -12.125 -2.742  -4.114  1.00 38.40 ? 11  DA  A N6    1 
ATOM   209  N N1    . DA  A 1 10  ? -11.806 -5.024  -4.338  1.00 41.92 ? 11  DA  A N1    1 
ATOM   210  C C2    . DA  A 1 10  ? -12.232 -6.272  -4.109  1.00 42.08 ? 11  DA  A C2    1 
ATOM   211  N N3    . DA  A 1 10  ? -13.328 -6.679  -3.473  1.00 46.58 ? 11  DA  A N3    1 
ATOM   212  C C4    . DA  A 1 10  ? -14.042 -5.631  -3.037  1.00 46.03 ? 11  DA  A C4    1 
ATOM   213  P P     . DA  A 1 11  ? -17.340 -9.539  1.184   1.00 69.95 ? 12  DA  A P     1 
ATOM   214  O OP1   . DA  A 1 11  ? -18.518 -10.430 1.259   1.00 65.68 ? 12  DA  A OP1   1 
ATOM   215  O OP2   . DA  A 1 11  ? -17.244 -8.365  2.081   1.00 68.79 ? 12  DA  A OP2   1 
ATOM   216  O "O5'" . DA  A 1 11  ? -16.024 -10.419 1.382   1.00 65.95 ? 12  DA  A "O5'" 1 
ATOM   217  C "C5'" . DA  A 1 11  ? -15.695 -11.411 0.422   1.00 58.71 ? 12  DA  A "C5'" 1 
ATOM   218  C "C4'" . DA  A 1 11  ? -14.192 -11.526 0.269   1.00 48.62 ? 12  DA  A "C4'" 1 
ATOM   219  O "O4'" . DA  A 1 11  ? -13.680 -10.333 -0.381  1.00 44.31 ? 12  DA  A "O4'" 1 
ATOM   220  C "C3'" . DA  A 1 11  ? -13.426 -11.664 1.585   1.00 57.16 ? 12  DA  A "C3'" 1 
ATOM   221  O "O3'" . DA  A 1 11  ? -12.437 -12.682 1.466   1.00 61.28 ? 12  DA  A "O3'" 1 
ATOM   222  C "C2'" . DA  A 1 11  ? -12.803 -10.281 1.786   1.00 53.18 ? 12  DA  A "C2'" 1 
ATOM   223  C "C1'" . DA  A 1 11  ? -12.594 -9.819  0.353   1.00 46.82 ? 12  DA  A "C1'" 1 
ATOM   224  N N9    . DA  A 1 11  ? -12.588 -8.364  0.209   1.00 51.20 ? 12  DA  A N9    1 
ATOM   225  C C8    . DA  A 1 11  ? -13.513 -7.485  0.698   1.00 44.76 ? 12  DA  A C8    1 
ATOM   226  N N7    . DA  A 1 11  ? -13.252 -6.230  0.419   1.00 42.56 ? 12  DA  A N7    1 
ATOM   227  C C5    . DA  A 1 11  ? -12.070 -6.288  -0.302  1.00 43.14 ? 12  DA  A C5    1 
ATOM   228  C C6    . DA  A 1 11  ? -11.266 -5.291  -0.890  1.00 43.73 ? 12  DA  A C6    1 
ATOM   229  N N6    . DA  A 1 11  ? -11.553 -3.986  -0.835  1.00 45.39 ? 12  DA  A N6    1 
ATOM   230  N N1    . DA  A 1 11  ? -10.151 -5.689  -1.538  1.00 39.96 ? 12  DA  A N1    1 
ATOM   231  C C2    . DA  A 1 11  ? -9.867  -6.996  -1.591  1.00 40.67 ? 12  DA  A C2    1 
ATOM   232  N N3    . DA  A 1 11  ? -10.544 -8.023  -1.078  1.00 42.36 ? 12  DA  A N3    1 
ATOM   233  C C4    . DA  A 1 11  ? -11.646 -7.597  -0.440  1.00 42.62 ? 12  DA  A C4    1 
ATOM   234  P P     . DT  A 1 12  ? -11.486 -13.049 2.710   1.00 67.82 ? 13  DT  A P     1 
ATOM   235  O OP1   . DT  A 1 12  ? -11.239 -14.507 2.672   1.00 71.41 ? 13  DT  A OP1   1 
ATOM   236  O OP2   . DT  A 1 12  ? -12.044 -12.442 3.939   1.00 68.08 ? 13  DT  A OP2   1 
ATOM   237  O "O5'" . DT  A 1 12  ? -10.124 -12.295 2.362   1.00 61.80 ? 13  DT  A "O5'" 1 
ATOM   238  C "C5'" . DT  A 1 12  ? -9.580  -12.391 1.053   1.00 46.98 ? 13  DT  A "C5'" 1 
ATOM   239  C "C4'" . DT  A 1 12  ? -8.422  -11.429 0.887   1.00 46.53 ? 13  DT  A "C4'" 1 
ATOM   240  O "O4'" . DT  A 1 12  ? -8.926  -10.082 0.802   1.00 50.23 ? 13  DT  A "O4'" 1 
ATOM   241  C "C3'" . DT  A 1 12  ? -7.429  -11.431 2.051   1.00 47.77 ? 13  DT  A "C3'" 1 
ATOM   242  O "O3'" . DT  A 1 12  ? -6.188  -11.980 1.634   1.00 48.05 ? 13  DT  A "O3'" 1 
ATOM   243  C "C2'" . DT  A 1 12  ? -7.291  -9.949  2.451   1.00 46.25 ? 13  DT  A "C2'" 1 
ATOM   244  C "C1'" . DT  A 1 12  ? -7.942  -9.213  1.287   1.00 45.32 ? 13  DT  A "C1'" 1 
ATOM   245  N N1    . DT  A 1 12  ? -8.602  -7.939  1.688   1.00 41.45 ? 13  DT  A N1    1 
ATOM   246  C C2    . DT  A 1 12  ? -8.088  -6.742  1.244   1.00 40.25 ? 13  DT  A C2    1 
ATOM   247  O O2    . DT  A 1 12  ? -7.107  -6.660  0.527   1.00 39.31 ? 13  DT  A O2    1 
ATOM   248  N N3    . DT  A 1 12  ? -8.771  -5.634  1.671   1.00 40.52 ? 13  DT  A N3    1 
ATOM   249  C C4    . DT  A 1 12  ? -9.891  -5.604  2.483   1.00 44.99 ? 13  DT  A C4    1 
ATOM   250  O O4    . DT  A 1 12  ? -10.435 -4.555  2.814   1.00 42.28 ? 13  DT  A O4    1 
ATOM   251  C C5    . DT  A 1 12  ? -10.376 -6.894  2.914   1.00 46.15 ? 13  DT  A C5    1 
ATOM   252  C C7    . DT  A 1 12  ? -11.585 -6.990  3.797   1.00 45.16 ? 13  DT  A C7    1 
ATOM   253  C C6    . DT  A 1 12  ? -9.716  -7.985  2.500   1.00 46.07 ? 13  DT  A C6    1 
ATOM   254  P P     . DT  A 1 13  ? -5.077  -12.371 2.725   1.00 60.80 ? 14  DT  A P     1 
ATOM   255  O OP1   . DT  A 1 13  ? -4.214  -13.417 2.134   1.00 58.39 ? 14  DT  A OP1   1 
ATOM   256  O OP2   . DT  A 1 13  ? -5.768  -12.622 4.010   1.00 56.54 ? 14  DT  A OP2   1 
ATOM   257  O "O5'" . DT  A 1 13  ? -4.229  -11.030 2.884   1.00 53.12 ? 14  DT  A "O5'" 1 
ATOM   258  C "C5'" . DT  A 1 13  ? -3.625  -10.438 1.747   1.00 52.50 ? 14  DT  A "C5'" 1 
ATOM   259  C "C4'" . DT  A 1 13  ? -2.865  -9.193  2.149   1.00 50.11 ? 14  DT  A "C4'" 1 
ATOM   260  O "O4'" . DT  A 1 13  ? -3.796  -8.090  2.275   1.00 46.47 ? 14  DT  A "O4'" 1 
ATOM   261  C "C3'" . DT  A 1 13  ? -2.142  -9.297  3.494   1.00 49.30 ? 14  DT  A "C3'" 1 
ATOM   262  O "O3'" . DT  A 1 13  ? -0.811  -8.849  3.356   1.00 56.37 ? 14  DT  A "O3'" 1 
ATOM   263  C "C2'" . DT  A 1 13  ? -2.953  -8.377  4.413   1.00 56.56 ? 14  DT  A "C2'" 1 
ATOM   264  C "C1'" . DT  A 1 13  ? -3.480  -7.352  3.425   1.00 42.09 ? 14  DT  A "C1'" 1 
ATOM   265  N N1    . DT  A 1 13  ? -4.718  -6.663  3.886   1.00 41.64 ? 14  DT  A N1    1 
ATOM   266  C C2    . DT  A 1 13  ? -4.842  -5.306  3.699   1.00 42.80 ? 14  DT  A C2    1 
ATOM   267  O O2    . DT  A 1 13  ? -3.982  -4.622  3.172   1.00 40.49 ? 14  DT  A O2    1 
ATOM   268  N N3    . DT  A 1 13  ? -6.018  -4.771  4.154   1.00 41.85 ? 14  DT  A N3    1 
ATOM   269  C C4    . DT  A 1 13  ? -7.061  -5.444  4.763   1.00 43.03 ? 14  DT  A C4    1 
ATOM   270  O O4    . DT  A 1 13  ? -8.080  -4.872  5.138   1.00 49.28 ? 14  DT  A O4    1 
ATOM   271  C C5    . DT  A 1 13  ? -6.866  -6.865  4.928   1.00 43.82 ? 14  DT  A C5    1 
ATOM   272  C C7    . DT  A 1 13  ? -7.929  -7.702  5.577   1.00 45.27 ? 14  DT  A C7    1 
ATOM   273  C C6    . DT  A 1 13  ? -5.718  -7.399  4.486   1.00 42.81 ? 14  DT  A C6    1 
ATOM   274  P P     . DG  A 1 14  ? 0.356   -9.503  4.244   1.00 64.56 ? 15  DG  A P     1 
ATOM   275  O OP1   . DG  A 1 14  ? 0.966   -10.593 3.451   1.00 61.90 ? 15  DG  A OP1   1 
ATOM   276  O OP2   . DG  A 1 14  ? -0.205  -9.790  5.583   1.00 58.35 ? 15  DG  A OP2   1 
ATOM   277  O "O5'" . DG  A 1 14  ? 1.408   -8.314  4.394   1.00 62.17 ? 15  DG  A "O5'" 1 
ATOM   278  C "C5'" . DG  A 1 14  ? 1.740   -7.525  3.262   1.00 50.52 ? 15  DG  A "C5'" 1 
ATOM   279  C "C4'" . DG  A 1 14  ? 2.055   -6.101  3.674   1.00 57.53 ? 15  DG  A "C4'" 1 
ATOM   280  O "O4'" . DG  A 1 14  ? 0.824   -5.408  3.999   1.00 49.63 ? 15  DG  A "O4'" 1 
ATOM   281  C "C3'" . DG  A 1 14  ? 2.959   -5.965  4.893   1.00 58.71 ? 15  DG  A "C3'" 1 
ATOM   282  O "O3'" . DG  A 1 14  ? 3.852   -4.885  4.707   1.00 63.28 ? 15  DG  A "O3'" 1 
ATOM   283  C "C2'" . DG  A 1 14  ? 1.976   -5.695  6.032   1.00 57.26 ? 15  DG  A "C2'" 1 
ATOM   284  C "C1'" . DG  A 1 14  ? 0.863   -4.930  5.327   1.00 48.84 ? 15  DG  A "C1'" 1 
ATOM   285  N N9    . DG  A 1 14  ? -0.454  -5.146  5.920   1.00 49.87 ? 15  DG  A N9    1 
ATOM   286  C C8    . DG  A 1 14  ? -0.970  -6.337  6.371   1.00 53.05 ? 15  DG  A C8    1 
ATOM   287  N N7    . DG  A 1 14  ? -2.180  -6.234  6.845   1.00 53.17 ? 15  DG  A N7    1 
ATOM   288  C C5    . DG  A 1 14  ? -2.492  -4.889  6.693   1.00 48.78 ? 15  DG  A C5    1 
ATOM   289  C C6    . DG  A 1 14  ? -3.673  -4.184  7.027   1.00 44.28 ? 15  DG  A C6    1 
ATOM   290  O O6    . DG  A 1 14  ? -4.711  -4.623  7.544   1.00 45.26 ? 15  DG  A O6    1 
ATOM   291  N N1    . DG  A 1 14  ? -3.572  -2.832  6.708   1.00 44.00 ? 15  DG  A N1    1 
ATOM   292  C C2    . DG  A 1 14  ? -2.471  -2.239  6.135   1.00 46.22 ? 15  DG  A C2    1 
ATOM   293  N N2    . DG  A 1 14  ? -2.562  -0.923  5.899   1.00 43.50 ? 15  DG  A N2    1 
ATOM   294  N N3    . DG  A 1 14  ? -1.359  -2.889  5.816   1.00 43.46 ? 15  DG  A N3    1 
ATOM   295  C C4    . DG  A 1 14  ? -1.440  -4.206  6.122   1.00 46.42 ? 15  DG  A C4    1 
ATOM   296  P P     . DG  A 1 15  ? 5.108   -4.698  5.688   1.00 64.73 ? 16  DG  A P     1 
ATOM   297  O OP1   . DG  A 1 15  ? 6.227   -4.167  4.880   1.00 66.64 ? 16  DG  A OP1   1 
ATOM   298  O OP2   . DG  A 1 15  ? 5.280   -5.956  6.449   1.00 63.04 ? 16  DG  A OP2   1 
ATOM   299  O "O5'" . DG  A 1 15  ? 4.621   -3.569  6.706   1.00 61.67 ? 16  DG  A "O5'" 1 
ATOM   300  C "C5'" . DG  A 1 15  ? 3.955   -2.415  6.214   1.00 52.19 ? 16  DG  A "C5'" 1 
ATOM   301  C "C4'" . DG  A 1 15  ? 3.288   -1.665  7.349   1.00 61.78 ? 16  DG  A "C4'" 1 
ATOM   302  O "O4'" . DG  A 1 15  ? 1.965   -2.215  7.590   1.00 61.12 ? 16  DG  A "O4'" 1 
ATOM   303  C "C3'" . DG  A 1 15  ? 4.029   -1.740  8.690   1.00 46.60 ? 16  DG  A "C3'" 1 
ATOM   304  O "O3'" . DG  A 1 15  ? 4.124   -0.444  9.264   1.00 47.85 ? 16  DG  A "O3'" 1 
ATOM   305  C "C2'" . DG  A 1 15  ? 3.143   -2.660  9.529   1.00 55.26 ? 16  DG  A "C2'" 1 
ATOM   306  C "C1'" . DG  A 1 15  ? 1.775   -2.312  8.977   1.00 58.37 ? 16  DG  A "C1'" 1 
ATOM   307  N N9    . DG  A 1 15  ? 0.747   -3.312  9.253   1.00 54.93 ? 16  DG  A N9    1 
ATOM   308  C C8    . DG  A 1 15  ? 0.914   -4.673  9.337   1.00 53.21 ? 16  DG  A C8    1 
ATOM   309  N N7    . DG  A 1 15  ? -0.189  -5.316  9.609   1.00 58.92 ? 16  DG  A N7    1 
ATOM   310  C C5    . DG  A 1 15  ? -1.147  -4.316  9.722   1.00 57.25 ? 16  DG  A C5    1 
ATOM   311  C C6    . DG  A 1 15  ? -2.530  -4.405  10.010  1.00 57.30 ? 16  DG  A C6    1 
ATOM   312  O O6    . DG  A 1 15  ? -3.206  -5.421  10.225  1.00 55.68 ? 16  DG  A O6    1 
ATOM   313  N N1    . DG  A 1 15  ? -3.134  -3.149  10.030  1.00 50.99 ? 16  DG  A N1    1 
ATOM   314  C C2    . DG  A 1 15  ? -2.483  -1.959  9.803   1.00 49.77 ? 16  DG  A C2    1 
ATOM   315  N N2    . DG  A 1 15  ? -3.233  -0.849  9.866   1.00 48.39 ? 16  DG  A N2    1 
ATOM   316  N N3    . DG  A 1 15  ? -1.188  -1.862  9.534   1.00 52.49 ? 16  DG  A N3    1 
ATOM   317  C C4    . DG  A 1 15  ? -0.585  -3.076  9.510   1.00 55.72 ? 16  DG  A C4    1 
ATOM   318  P P     . DC  B 2 1   ? -12.007 -0.475  14.211  1.00 75.01 ? 2   DC  B P     1 
ATOM   319  O OP1   . DC  B 2 1   ? -12.163 0.037   15.590  1.00 55.84 ? 2   DC  B OP1   1 
ATOM   320  O OP2   . DC  B 2 1   ? -13.164 -1.087  13.520  1.00 60.85 ? 2   DC  B OP2   1 
ATOM   321  O "O5'" . DC  B 2 1   ? -11.460 0.708   13.292  1.00 54.68 ? 2   DC  B "O5'" 1 
ATOM   322  C "C5'" . DC  B 2 1   ? -10.135 1.190   13.494  1.00 51.70 ? 2   DC  B "C5'" 1 
ATOM   323  C "C4'" . DC  B 2 1   ? -9.383  1.290   12.179  1.00 53.37 ? 2   DC  B "C4'" 1 
ATOM   324  O "O4'" . DC  B 2 1   ? -8.372  0.243   12.099  1.00 52.12 ? 2   DC  B "O4'" 1 
ATOM   325  C "C3'" . DC  B 2 1   ? -10.244 1.119   10.924  1.00 45.33 ? 2   DC  B "C3'" 1 
ATOM   326  O "O3'" . DC  B 2 1   ? -9.731  1.939   9.912   1.00 52.93 ? 2   DC  B "O3'" 1 
ATOM   327  C "C2'" . DC  B 2 1   ? -9.992  -0.343  10.575  1.00 49.13 ? 2   DC  B "C2'" 1 
ATOM   328  C "C1'" . DC  B 2 1   ? -8.504  -0.384  10.848  1.00 44.40 ? 2   DC  B "C1'" 1 
ATOM   329  N N1    . DC  B 2 1   ? -7.912  -1.753  10.898  1.00 47.45 ? 2   DC  B N1    1 
ATOM   330  C C2    . DC  B 2 1   ? -6.520  -1.898  10.874  1.00 48.77 ? 2   DC  B C2    1 
ATOM   331  O O2    . DC  B 2 1   ? -5.810  -0.885  10.829  1.00 41.13 ? 2   DC  B O2    1 
ATOM   332  N N3    . DC  B 2 1   ? -5.988  -3.144  10.906  1.00 43.38 ? 2   DC  B N3    1 
ATOM   333  C C4    . DC  B 2 1   ? -6.788  -4.210  10.953  1.00 50.94 ? 2   DC  B C4    1 
ATOM   334  N N4    . DC  B 2 1   ? -6.216  -5.419  10.984  1.00 45.75 ? 2   DC  B N4    1 
ATOM   335  C C5    . DC  B 2 1   ? -8.210  -4.083  10.971  1.00 46.65 ? 2   DC  B C5    1 
ATOM   336  C C6    . DC  B 2 1   ? -8.723  -2.848  10.937  1.00 44.86 ? 2   DC  B C6    1 
ATOM   337  P P     . DC  B 2 2   ? -10.568 3.183   9.345   1.00 51.08 ? 3   DC  B P     1 
ATOM   338  O OP1   . DC  B 2 2   ? -11.212 3.863   10.491  1.00 33.41 ? 3   DC  B OP1   1 
ATOM   339  O OP2   . DC  B 2 2   ? -11.376 2.711   8.198   1.00 39.94 ? 3   DC  B OP2   1 
ATOM   340  O "O5'" . DC  B 2 2   ? -9.421  4.130   8.778   1.00 41.28 ? 3   DC  B "O5'" 1 
ATOM   341  C "C5'" . DC  B 2 2   ? -8.366  4.536   9.632   1.00 36.70 ? 3   DC  B "C5'" 1 
ATOM   342  C "C4'" . DC  B 2 2   ? -7.035  4.456   8.912   1.00 35.69 ? 3   DC  B "C4'" 1 
ATOM   343  O "O4'" . DC  B 2 2   ? -6.577  3.081   8.894   1.00 41.10 ? 3   DC  B "O4'" 1 
ATOM   344  C "C3'" . DC  B 2 2   ? -7.068  4.915   7.458   1.00 32.34 ? 3   DC  B "C3'" 1 
ATOM   345  O "O3'" . DC  B 2 2   ? -5.906  5.672   7.174   1.00 36.22 ? 3   DC  B "O3'" 1 
ATOM   346  C "C2'" . DC  B 2 2   ? -7.083  3.595   6.679   1.00 37.03 ? 3   DC  B "C2'" 1 
ATOM   347  C "C1'" . DC  B 2 2   ? -6.233  2.715   7.580   1.00 34.92 ? 3   DC  B "C1'" 1 
ATOM   348  N N1    . DC  B 2 2   ? -6.490  1.252   7.431   1.00 32.49 ? 3   DC  B N1    1 
ATOM   349  C C2    . DC  B 2 2   ? -5.411  0.369   7.321   1.00 37.22 ? 3   DC  B C2    1 
ATOM   350  O O2    . DC  B 2 2   ? -4.260  0.821   7.322   1.00 39.81 ? 3   DC  B O2    1 
ATOM   351  N N3    . DC  B 2 2   ? -5.658  -0.959  7.203   1.00 31.77 ? 3   DC  B N3    1 
ATOM   352  C C4    . DC  B 2 2   ? -6.913  -1.407  7.206   1.00 36.71 ? 3   DC  B C4    1 
ATOM   353  N N4    . DC  B 2 2   ? -7.106  -2.725  7.087   1.00 38.49 ? 3   DC  B N4    1 
ATOM   354  C C5    . DC  B 2 2   ? -8.026  -0.524  7.326   1.00 40.55 ? 3   DC  B C5    1 
ATOM   355  C C6    . DC  B 2 2   ? -7.770  0.784   7.441   1.00 34.07 ? 3   DC  B C6    1 
ATOM   356  P P     . DA  B 2 3   ? -5.888  6.689   5.933   1.00 35.56 ? 4   DA  B P     1 
ATOM   357  O OP1   . DA  B 2 3   ? -4.954  7.788   6.266   1.00 29.84 ? 4   DA  B OP1   1 
ATOM   358  O OP2   . DA  B 2 3   ? -7.291  6.993   5.576   1.00 40.69 ? 4   DA  B OP2   1 
ATOM   359  O "O5'" . DA  B 2 3   ? -5.268  5.822   4.747   1.00 31.32 ? 4   DA  B "O5'" 1 
ATOM   360  C "C5'" . DA  B 2 3   ? -3.932  5.366   4.826   1.00 33.36 ? 4   DA  B "C5'" 1 
ATOM   361  C "C4'" . DA  B 2 3   ? -3.632  4.416   3.685   1.00 29.97 ? 4   DA  B "C4'" 1 
ATOM   362  O "O4'" . DA  B 2 3   ? -4.230  3.120   3.961   1.00 26.93 ? 4   DA  B "O4'" 1 
ATOM   363  C "C3'" . DA  B 2 3   ? -4.183  4.857   2.324   1.00 34.32 ? 4   DA  B "C3'" 1 
ATOM   364  O "O3'" . DA  B 2 3   ? -3.200  4.661   1.317   1.00 32.94 ? 4   DA  B "O3'" 1 
ATOM   365  C "C2'" . DA  B 2 3   ? -5.386  3.936   2.123   1.00 31.10 ? 4   DA  B "C2'" 1 
ATOM   366  C "C1'" . DA  B 2 3   ? -4.897  2.673   2.808   1.00 32.50 ? 4   DA  B "C1'" 1 
ATOM   367  N N9    . DA  B 2 3   ? -5.971  1.765   3.204   1.00 32.64 ? 4   DA  B N9    1 
ATOM   368  C C8    . DA  B 2 3   ? -7.282  2.084   3.421   1.00 29.15 ? 4   DA  B C8    1 
ATOM   369  N N7    . DA  B 2 3   ? -8.026  1.059   3.765   1.00 29.17 ? 4   DA  B N7    1 
ATOM   370  C C5    . DA  B 2 3   ? -7.142  -0.006  3.771   1.00 32.71 ? 4   DA  B C5    1 
ATOM   371  C C6    . DA  B 2 3   ? -7.309  -1.377  4.053   1.00 29.52 ? 4   DA  B C6    1 
ATOM   372  N N6    . DA  B 2 3   ? -8.481  -1.919  4.401   1.00 39.92 ? 4   DA  B N6    1 
ATOM   373  N N1    . DA  B 2 3   ? -6.221  -2.170  3.969   1.00 35.98 ? 4   DA  B N1    1 
ATOM   374  C C2    . DA  B 2 3   ? -5.049  -1.623  3.622   1.00 34.06 ? 4   DA  B C2    1 
ATOM   375  N N3    . DA  B 2 3   ? -4.770  -0.353  3.333   1.00 35.64 ? 4   DA  B N3    1 
ATOM   376  C C4    . DA  B 2 3   ? -5.871  0.410   3.427   1.00 34.82 ? 4   DA  B C4    1 
ATOM   377  P P     . DA  B 2 4   ? -3.282  5.471   -0.069  1.00 29.53 ? 5   DA  B P     1 
ATOM   378  O OP1   . DA  B 2 4   ? -2.002  5.261   -0.779  1.00 30.91 ? 5   DA  B OP1   1 
ATOM   379  O OP2   . DA  B 2 4   ? -3.734  6.847   0.235   1.00 31.66 ? 5   DA  B OP2   1 
ATOM   380  O "O5'" . DA  B 2 4   ? -4.452  4.736   -0.878  1.00 26.77 ? 5   DA  B "O5'" 1 
ATOM   381  C "C5'" . DA  B 2 4   ? -4.124  3.809   -1.903  1.00 25.99 ? 5   DA  B "C5'" 1 
ATOM   382  C "C4'" . DA  B 2 4   ? -3.666  2.489   -1.308  1.00 31.41 ? 5   DA  B "C4'" 1 
ATOM   383  O "O4'" . DA  B 2 4   ? -4.653  2.017   -0.358  1.00 35.95 ? 5   DA  B "O4'" 1 
ATOM   384  C "C3'" . DA  B 2 4   ? -3.464  1.359   -2.319  1.00 26.30 ? 5   DA  B "C3'" 1 
ATOM   385  O "O3'" . DA  B 2 4   ? -2.121  0.908   -2.278  1.00 30.87 ? 5   DA  B "O3'" 1 
ATOM   386  C "C2'" . DA  B 2 4   ? -4.444  0.263   -1.887  1.00 25.97 ? 5   DA  B "C2'" 1 
ATOM   387  C "C1'" . DA  B 2 4   ? -4.741  0.617   -0.439  1.00 29.34 ? 5   DA  B "C1'" 1 
ATOM   388  N N9    . DA  B 2 4   ? -6.077  0.207   -0.014  1.00 32.13 ? 5   DA  B N9    1 
ATOM   389  C C8    . DA  B 2 4   ? -7.185  0.999   0.105   1.00 29.90 ? 5   DA  B C8    1 
ATOM   390  N N7    . DA  B 2 4   ? -8.260  0.352   0.493   1.00 32.42 ? 5   DA  B N7    1 
ATOM   391  C C5    . DA  B 2 4   ? -7.832  -0.959  0.620   1.00 25.95 ? 5   DA  B C5    1 
ATOM   392  C C6    . DA  B 2 4   ? -8.497  -2.144  0.998   1.00 27.44 ? 5   DA  B C6    1 
ATOM   393  N N6    . DA  B 2 4   ? -9.790  -2.187  1.329   1.00 32.60 ? 5   DA  B N6    1 
ATOM   394  N N1    . DA  B 2 4   ? -7.777  -3.285  1.023   1.00 29.43 ? 5   DA  B N1    1 
ATOM   395  C C2    . DA  B 2 4   ? -6.481  -3.238  0.692   1.00 27.24 ? 5   DA  B C2    1 
ATOM   396  N N3    . DA  B 2 4   ? -5.748  -2.187  0.323   1.00 30.13 ? 5   DA  B N3    1 
ATOM   397  C C4    . DA  B 2 4   ? -6.491  -1.068  0.306   1.00 30.84 ? 5   DA  B C4    1 
ATOM   398  P P     . DT  B 2 5   ? -1.474  0.202   -3.567  1.00 34.29 ? 6   DT  B P     1 
ATOM   399  O OP1   . DT  B 2 5   ? -0.007  0.183   -3.378  1.00 37.86 ? 6   DT  B OP1   1 
ATOM   400  O OP2   . DT  B 2 5   ? -2.059  0.822   -4.776  1.00 28.49 ? 6   DT  B OP2   1 
ATOM   401  O "O5'" . DT  B 2 5   ? -2.022  -1.293  -3.476  1.00 33.88 ? 6   DT  B "O5'" 1 
ATOM   402  C "C5'" . DT  B 2 5   ? -1.591  -2.131  -2.417  1.00 31.71 ? 6   DT  B "C5'" 1 
ATOM   403  C "C4'" . DT  B 2 5   ? -2.181  -3.519  -2.557  1.00 30.18 ? 6   DT  B "C4'" 1 
ATOM   404  O "O4'" . DT  B 2 5   ? -3.568  -3.496  -2.149  1.00 29.33 ? 6   DT  B "O4'" 1 
ATOM   405  C "C3'" . DT  B 2 5   ? -2.154  -4.101  -3.973  1.00 34.43 ? 6   DT  B "C3'" 1 
ATOM   406  O "O3'" . DT  B 2 5   ? -1.576  -5.396  -3.928  1.00 33.30 ? 6   DT  B "O3'" 1 
ATOM   407  C "C2'" . DT  B 2 5   ? -3.638  -4.152  -4.374  1.00 30.99 ? 6   DT  B "C2'" 1 
ATOM   408  C "C1'" . DT  B 2 5   ? -4.314  -4.300  -3.021  1.00 30.45 ? 6   DT  B "C1'" 1 
ATOM   409  N N1    . DT  B 2 5   ? -5.731  -3.824  -2.978  1.00 34.29 ? 6   DT  B N1    1 
ATOM   410  C C2    . DT  B 2 5   ? -6.716  -4.683  -2.552  1.00 28.46 ? 6   DT  B C2    1 
ATOM   411  O O2    . DT  B 2 5   ? -6.504  -5.843  -2.244  1.00 35.79 ? 6   DT  B O2    1 
ATOM   412  N N3    . DT  B 2 5   ? -7.974  -4.143  -2.525  1.00 30.87 ? 6   DT  B N3    1 
ATOM   413  C C4    . DT  B 2 5   ? -8.336  -2.850  -2.854  1.00 36.44 ? 6   DT  B C4    1 
ATOM   414  O O4    . DT  B 2 5   ? -9.498  -2.457  -2.794  1.00 42.95 ? 6   DT  B O4    1 
ATOM   415  C C5    . DT  B 2 5   ? -7.252  -1.995  -3.274  1.00 33.87 ? 6   DT  B C5    1 
ATOM   416  C C7    . DT  B 2 5   ? -7.523  -0.570  -3.658  1.00 34.99 ? 6   DT  B C7    1 
ATOM   417  C C6    . DT  B 2 5   ? -6.016  -2.515  -3.307  1.00 36.02 ? 6   DT  B C6    1 
ATOM   418  P P     . DT  B 2 6   ? -1.237  -6.196  -5.277  1.00 36.96 ? 7   DT  B P     1 
ATOM   419  O OP1   . DT  B 2 6   ? -0.149  -7.150  -4.965  1.00 44.82 ? 7   DT  B OP1   1 
ATOM   420  O OP2   . DT  B 2 6   ? -1.064  -5.210  -6.366  1.00 42.27 ? 7   DT  B OP2   1 
ATOM   421  O "O5'" . DT  B 2 6   ? -2.575  -7.011  -5.574  1.00 42.54 ? 7   DT  B "O5'" 1 
ATOM   422  C "C5'" . DT  B 2 6   ? -3.033  -7.969  -4.639  1.00 35.18 ? 7   DT  B "C5'" 1 
ATOM   423  C "C4'" . DT  B 2 6   ? -4.402  -8.484  -5.030  1.00 36.80 ? 7   DT  B "C4'" 1 
ATOM   424  O "O4'" . DT  B 2 6   ? -5.389  -7.462  -4.813  1.00 39.43 ? 7   DT  B "O4'" 1 
ATOM   425  C "C3'" . DT  B 2 6   ? -4.557  -8.896  -6.499  1.00 37.57 ? 7   DT  B "C3'" 1 
ATOM   426  O "O3'" . DT  B 2 6   ? -4.736  -10.296 -6.556  1.00 37.20 ? 7   DT  B "O3'" 1 
ATOM   427  C "C2'" . DT  B 2 6   ? -5.815  -8.134  -6.976  1.00 35.33 ? 7   DT  B "C2'" 1 
ATOM   428  C "C1'" . DT  B 2 6   ? -6.464  -7.745  -5.655  1.00 41.09 ? 7   DT  B "C1'" 1 
ATOM   429  N N1    . DT  B 2 6   ? -7.333  -6.533  -5.720  1.00 36.31 ? 7   DT  B N1    1 
ATOM   430  C C2    . DT  B 2 6   ? -8.622  -6.610  -5.247  1.00 37.82 ? 7   DT  B C2    1 
ATOM   431  O O2    . DT  B 2 6   ? -9.111  -7.635  -4.808  1.00 43.52 ? 7   DT  B O2    1 
ATOM   432  N N3    . DT  B 2 6   ? -9.333  -5.444  -5.329  1.00 35.34 ? 7   DT  B N3    1 
ATOM   433  C C4    . DT  B 2 6   ? -8.889  -4.228  -5.810  1.00 40.62 ? 7   DT  B C4    1 
ATOM   434  O O4    . DT  B 2 6   ? -9.607  -3.233  -5.839  1.00 43.33 ? 7   DT  B O4    1 
ATOM   435  C C5    . DT  B 2 6   ? -7.522  -4.209  -6.275  1.00 35.76 ? 7   DT  B C5    1 
ATOM   436  C C7    . DT  B 2 6   ? -6.929  -2.943  -6.819  1.00 29.24 ? 7   DT  B C7    1 
ATOM   437  C C6    . DT  B 2 6   ? -6.815  -5.349  -6.203  1.00 32.79 ? 7   DT  B C6    1 
ATOM   438  P P     . DC  B 2 7   ? -4.841  -11.064 -7.960  1.00 41.81 ? 8   DC  B P     1 
ATOM   439  O OP1   . DC  B 2 7   ? -4.321  -12.435 -7.754  1.00 52.82 ? 8   DC  B OP1   1 
ATOM   440  O OP2   . DC  B 2 7   ? -4.246  -10.195 -8.999  1.00 58.44 ? 8   DC  B OP2   1 
ATOM   441  O "O5'" . DC  B 2 7   ? -6.414  -11.139 -8.220  1.00 49.39 ? 8   DC  B "O5'" 1 
ATOM   442  C "C5'" . DC  B 2 7   ? -7.259  -11.710 -7.234  1.00 53.18 ? 8   DC  B "C5'" 1 
ATOM   443  C "C4'" . DC  B 2 7   ? -8.714  -11.550 -7.623  1.00 49.15 ? 8   DC  B "C4'" 1 
ATOM   444  O "O4'" . DC  B 2 7   ? -9.144  -10.199 -7.349  1.00 47.56 ? 8   DC  B "O4'" 1 
ATOM   445  C "C3'" . DC  B 2 7   ? -9.016  -11.797 -9.104  1.00 48.49 ? 8   DC  B "C3'" 1 
ATOM   446  O "O3'" . DC  B 2 7   ? -9.881  -12.914 -9.226  1.00 58.27 ? 8   DC  B "O3'" 1 
ATOM   447  C "C2'" . DC  B 2 7   ? -9.691  -10.500 -9.580  1.00 51.52 ? 8   DC  B "C2'" 1 
ATOM   448  C "C1'" . DC  B 2 7   ? -10.140 -9.866  -8.274  1.00 44.99 ? 8   DC  B "C1'" 1 
ATOM   449  N N1    . DC  B 2 7   ? -10.252 -8.381  -8.338  1.00 40.65 ? 8   DC  B N1    1 
ATOM   450  C C2    . DC  B 2 7   ? -11.406 -7.754  -7.858  1.00 40.49 ? 8   DC  B C2    1 
ATOM   451  O O2    . DC  B 2 7   ? -12.317 -8.447  -7.390  1.00 39.73 ? 8   DC  B O2    1 
ATOM   452  N N3    . DC  B 2 7   ? -11.494 -6.403  -7.923  1.00 39.40 ? 8   DC  B N3    1 
ATOM   453  C C4    . DC  B 2 7   ? -10.490 -5.692  -8.437  1.00 35.54 ? 8   DC  B C4    1 
ATOM   454  N N4    . DC  B 2 7   ? -10.625 -4.362  -8.479  1.00 32.64 ? 8   DC  B N4    1 
ATOM   455  C C5    . DC  B 2 7   ? -9.305  -6.313  -8.931  1.00 37.06 ? 8   DC  B C5    1 
ATOM   456  C C6    . DC  B 2 7   ? -9.229  -7.647  -8.862  1.00 36.73 ? 8   DC  B C6    1 
ATOM   457  P P     . DT  B 2 8   ? -10.231 -13.528 -10.667 1.00 61.15 ? 9   DT  B P     1 
ATOM   458  O OP1   . DT  B 2 8   ? -10.379 -14.991 -10.498 1.00 59.75 ? 9   DT  B OP1   1 
ATOM   459  O OP2   . DT  B 2 8   ? -9.255  -12.994 -11.643 1.00 57.69 ? 9   DT  B OP2   1 
ATOM   460  O "O5'" . DT  B 2 8   ? -11.662 -12.900 -11.002 1.00 57.95 ? 9   DT  B "O5'" 1 
ATOM   461  C "C5'" . DT  B 2 8   ? -12.728 -13.040 -10.073 1.00 59.39 ? 9   DT  B "C5'" 1 
ATOM   462  C "C4'" . DT  B 2 8   ? -13.794 -11.991 -10.317 1.00 52.09 ? 9   DT  B "C4'" 1 
ATOM   463  O "O4'" . DT  B 2 8   ? -13.258 -10.684 -10.054 1.00 53.19 ? 9   DT  B "O4'" 1 
ATOM   464  C "C3'" . DT  B 2 8   ? -14.291 -11.918 -11.750 1.00 54.84 ? 9   DT  B "C3'" 1 
ATOM   465  O "O3'" . DT  B 2 8   ? -15.419 -12.764 -11.904 1.00 67.23 ? 9   DT  B "O3'" 1 
ATOM   466  C "C2'" . DT  B 2 8   ? -14.675 -10.439 -11.932 1.00 55.95 ? 9   DT  B "C2'" 1 
ATOM   467  C "C1'" . DT  B 2 8   ? -14.065 -9.739  -10.712 1.00 50.23 ? 9   DT  B "C1'" 1 
ATOM   468  N N1    . DT  B 2 8   ? -13.238 -8.546  -11.063 1.00 48.22 ? 9   DT  B N1    1 
ATOM   469  C C2    . DT  B 2 8   ? -13.757 -7.292  -10.859 1.00 47.26 ? 9   DT  B C2    1 
ATOM   470  O O2    . DT  B 2 8   ? -14.867 -7.099  -10.398 1.00 49.59 ? 9   DT  B O2    1 
ATOM   471  N N3    . DT  B 2 8   ? -12.927 -6.262  -11.215 1.00 38.23 ? 9   DT  B N3    1 
ATOM   472  C C4    . DT  B 2 8   ? -11.654 -6.361  -11.746 1.00 40.54 ? 9   DT  B C4    1 
ATOM   473  O O4    . DT  B 2 8   ? -10.984 -5.373  -12.035 1.00 44.27 ? 9   DT  B O4    1 
ATOM   474  C C5    . DT  B 2 8   ? -11.169 -7.708  -11.937 1.00 46.50 ? 9   DT  B C5    1 
ATOM   475  C C7    . DT  B 2 8   ? -9.801  -7.942  -12.505 1.00 40.18 ? 9   DT  B C7    1 
ATOM   476  C C6    . DT  B 2 8   ? -11.976 -8.724  -11.592 1.00 46.85 ? 9   DT  B C6    1 
ATOM   477  P P     . DC  B 2 9   ? -15.985 -13.103 -13.368 1.00 70.31 ? 10  DC  B P     1 
ATOM   478  O OP1   . DC  B 2 9   ? -16.778 -14.346 -13.254 1.00 74.77 ? 10  DC  B OP1   1 
ATOM   479  O OP2   . DC  B 2 9   ? -14.855 -13.031 -14.321 1.00 64.87 ? 10  DC  B OP2   1 
ATOM   480  O "O5'" . DC  B 2 9   ? -16.970 -11.885 -13.689 1.00 61.14 ? 10  DC  B "O5'" 1 
ATOM   481  C "C5'" . DC  B 2 9   ? -17.949 -11.491 -12.737 1.00 59.15 ? 10  DC  B "C5'" 1 
ATOM   482  C "C4'" . DC  B 2 9   ? -18.534 -10.142 -13.108 1.00 59.75 ? 10  DC  B "C4'" 1 
ATOM   483  O "O4'" . DC  B 2 9   ? -17.541 -9.113  -12.902 1.00 53.07 ? 10  DC  B "O4'" 1 
ATOM   484  C "C3'" . DC  B 2 9   ? -18.978 -10.017 -14.567 1.00 54.97 ? 10  DC  B "C3'" 1 
ATOM   485  O "O3'" . DC  B 2 9   ? -20.386 -9.848  -14.628 1.00 63.63 ? 10  DC  B "O3'" 1 
ATOM   486  C "C2'" . DC  B 2 9   ? -18.234 -8.780  -15.100 1.00 56.30 ? 10  DC  B "C2'" 1 
ATOM   487  C "C1'" . DC  B 2 9   ? -17.765 -8.086  -13.829 1.00 50.04 ? 10  DC  B "C1'" 1 
ATOM   488  N N1    . DC  B 2 9   ? -16.496 -7.316  -14.006 1.00 54.59 ? 10  DC  B N1    1 
ATOM   489  C C2    . DC  B 2 9   ? -16.492 -5.931  -13.801 1.00 50.33 ? 10  DC  B C2    1 
ATOM   490  O O2    . DC  B 2 9   ? -17.543 -5.366  -13.474 1.00 53.34 ? 10  DC  B O2    1 
ATOM   491  N N3    . DC  B 2 9   ? -15.333 -5.246  -13.969 1.00 41.54 ? 10  DC  B N3    1 
ATOM   492  C C4    . DC  B 2 9   ? -14.220 -5.892  -14.323 1.00 41.85 ? 10  DC  B C4    1 
ATOM   493  N N4    . DC  B 2 9   ? -13.101 -5.175  -14.475 1.00 38.75 ? 10  DC  B N4    1 
ATOM   494  C C5    . DC  B 2 9   ? -14.205 -7.302  -14.535 1.00 42.40 ? 10  DC  B C5    1 
ATOM   495  C C6    . DC  B 2 9   ? -15.354 -7.967  -14.369 1.00 48.54 ? 10  DC  B C6    1 
ATOM   496  P P     . DT  B 2 10  ? -21.119 -9.692  -16.047 1.00 56.27 ? 11  DT  B P     1 
ATOM   497  O OP1   . DT  B 2 10  ? -22.529 -10.102 -15.863 1.00 56.20 ? 11  DT  B OP1   1 
ATOM   498  O OP2   . DT  B 2 10  ? -20.283 -10.353 -17.073 1.00 72.00 ? 11  DT  B OP2   1 
ATOM   499  O "O5'" . DT  B 2 10  ? -21.074 -8.120  -16.324 1.00 56.48 ? 11  DT  B "O5'" 1 
ATOM   500  C "C5'" . DT  B 2 10  ? -21.649 -7.224  -15.388 1.00 55.79 ? 11  DT  B "C5'" 1 
ATOM   501  C "C4'" . DT  B 2 10  ? -21.576 -5.803  -15.904 1.00 50.82 ? 11  DT  B "C4'" 1 
ATOM   502  O "O4'" . DT  B 2 10  ? -20.238 -5.303  -15.725 1.00 49.13 ? 11  DT  B "O4'" 1 
ATOM   503  C "C3'" . DT  B 2 10  ? -21.882 -5.658  -17.394 1.00 57.63 ? 11  DT  B "C3'" 1 
ATOM   504  O "O3'" . DT  B 2 10  ? -23.142 -5.038  -17.577 1.00 53.73 ? 11  DT  B "O3'" 1 
ATOM   505  C "C2'" . DT  B 2 10  ? -20.739 -4.792  -17.953 1.00 54.28 ? 11  DT  B "C2'" 1 
ATOM   506  C "C1'" . DT  B 2 10  ? -19.977 -4.343  -16.710 1.00 51.03 ? 11  DT  B "C1'" 1 
ATOM   507  N N1    . DT  B 2 10  ? -18.505 -4.283  -16.920 1.00 48.39 ? 11  DT  B N1    1 
ATOM   508  C C2    . DT  B 2 10  ? -17.864 -3.068  -16.866 1.00 44.09 ? 11  DT  B C2    1 
ATOM   509  O O2    . DT  B 2 10  ? -18.438 -2.019  -16.633 1.00 44.48 ? 11  DT  B O2    1 
ATOM   510  N N3    . DT  B 2 10  ? -16.512 -3.126  -17.078 1.00 39.22 ? 11  DT  B N3    1 
ATOM   511  C C4    . DT  B 2 10  ? -15.755 -4.253  -17.345 1.00 39.21 ? 11  DT  B C4    1 
ATOM   512  O O4    . DT  B 2 10  ? -14.542 -4.203  -17.524 1.00 38.04 ? 11  DT  B O4    1 
ATOM   513  C C5    . DT  B 2 10  ? -16.493 -5.493  -17.398 1.00 40.73 ? 11  DT  B C5    1 
ATOM   514  C C7    . DT  B 2 10  ? -15.784 -6.783  -17.681 1.00 40.19 ? 11  DT  B C7    1 
ATOM   515  C C6    . DT  B 2 10  ? -17.816 -5.448  -17.188 1.00 44.77 ? 11  DT  B C6    1 
ATOM   516  P P     . DT  B 2 11  ? -23.737 -4.858  -19.057 1.00 71.00 ? 12  DT  B P     1 
ATOM   517  O OP1   . DT  B 2 11  ? -25.213 -4.910  -18.960 1.00 68.79 ? 12  DT  B OP1   1 
ATOM   518  O OP2   . DT  B 2 11  ? -23.023 -5.795  -19.951 1.00 70.25 ? 12  DT  B OP2   1 
ATOM   519  O "O5'" . DT  B 2 11  ? -23.300 -3.378  -19.457 1.00 60.44 ? 12  DT  B "O5'" 1 
ATOM   520  C "C5'" . DT  B 2 11  ? -23.371 -2.343  -18.494 1.00 58.53 ? 12  DT  B "C5'" 1 
ATOM   521  C "C4'" . DT  B 2 11  ? -22.595 -1.131  -18.961 1.00 57.49 ? 12  DT  B "C4'" 1 
ATOM   522  O "O4'" . DT  B 2 11  ? -21.177 -1.394  -18.861 1.00 61.29 ? 12  DT  B "O4'" 1 
ATOM   523  C "C3'" . DT  B 2 11  ? -22.853 -0.727  -20.416 1.00 56.12 ? 12  DT  B "C3'" 1 
ATOM   524  O "O3'" . DT  B 2 11  ? -23.344 0.601   -20.460 1.00 67.08 ? 12  DT  B "O3'" 1 
ATOM   525  C "C2'" . DT  B 2 11  ? -21.481 -0.852  -21.094 1.00 50.53 ? 12  DT  B "C2'" 1 
ATOM   526  C "C1'" . DT  B 2 11  ? -20.526 -0.743  -19.918 1.00 47.74 ? 12  DT  B "C1'" 1 
ATOM   527  N N1    . DT  B 2 11  ? -19.225 -1.425  -20.147 1.00 48.70 ? 12  DT  B N1    1 
ATOM   528  C C2    . DT  B 2 11  ? -18.071 -0.680  -20.182 1.00 42.66 ? 12  DT  B C2    1 
ATOM   529  O O2    . DT  B 2 11  ? -18.052 0.529   -20.033 1.00 46.29 ? 12  DT  B O2    1 
ATOM   530  N N3    . DT  B 2 11  ? -16.930 -1.405  -20.395 1.00 38.71 ? 12  DT  B N3    1 
ATOM   531  C C4    . DT  B 2 11  ? -16.831 -2.773  -20.576 1.00 41.92 ? 12  DT  B C4    1 
ATOM   532  O O4    . DT  B 2 11  ? -15.757 -3.335  -20.763 1.00 42.39 ? 12  DT  B O4    1 
ATOM   533  C C5    . DT  B 2 11  ? -18.081 -3.494  -20.529 1.00 44.23 ? 12  DT  B C5    1 
ATOM   534  C C7    . DT  B 2 11  ? -18.103 -4.982  -20.711 1.00 45.26 ? 12  DT  B C7    1 
ATOM   535  C C6    . DT  B 2 11  ? -19.204 -2.792  -20.321 1.00 46.21 ? 12  DT  B C6    1 
ATOM   536  P P     . DT  B 2 12  ? -23.860 1.234   -21.843 1.00 65.90 ? 13  DT  B P     1 
ATOM   537  O OP1   . DT  B 2 12  ? -25.117 1.959   -21.551 1.00 49.67 ? 13  DT  B OP1   1 
ATOM   538  O OP2   . DT  B 2 12  ? -23.836 0.182   -22.885 1.00 65.63 ? 13  DT  B OP2   1 
ATOM   539  O "O5'" . DT  B 2 12  ? -22.732 2.306   -22.186 1.00 65.43 ? 13  DT  B "O5'" 1 
ATOM   540  C "C5'" . DT  B 2 12  ? -22.478 3.361   -21.276 1.00 63.41 ? 13  DT  B "C5'" 1 
ATOM   541  C "C4'" . DT  B 2 12  ? -21.125 3.985   -21.541 1.00 60.40 ? 13  DT  B "C4'" 1 
ATOM   542  O "O4'" . DT  B 2 12  ? -20.111 2.949   -21.602 1.00 62.99 ? 13  DT  B "O4'" 1 
ATOM   543  C "C3'" . DT  B 2 12  ? -21.019 4.764   -22.856 1.00 67.02 ? 13  DT  B "C3'" 1 
ATOM   544  O "O3'" . DT  B 2 12  ? -20.454 6.037   -22.596 1.00 65.77 ? 13  DT  B "O3'" 1 
ATOM   545  C "C2'" . DT  B 2 12  ? -20.094 3.894   -23.717 1.00 58.32 ? 13  DT  B "C2'" 1 
ATOM   546  C "C1'" . DT  B 2 12  ? -19.228 3.247   -22.653 1.00 61.62 ? 13  DT  B "C1'" 1 
ATOM   547  N N1    . DT  B 2 12  ? -18.560 1.980   -23.089 1.00 54.79 ? 13  DT  B N1    1 
ATOM   548  C C2    . DT  B 2 12  ? -17.185 1.926   -23.130 1.00 55.68 ? 13  DT  B C2    1 
ATOM   549  O O2    . DT  B 2 12  ? -16.471 2.869   -22.840 1.00 63.13 ? 13  DT  B O2    1 
ATOM   550  N N3    . DT  B 2 12  ? -16.670 0.723   -23.533 1.00 46.53 ? 13  DT  B N3    1 
ATOM   551  C C4    . DT  B 2 12  ? -17.376 -0.411  -23.886 1.00 49.85 ? 13  DT  B C4    1 
ATOM   552  O O4    . DT  B 2 12  ? -16.820 -1.448  -24.235 1.00 51.75 ? 13  DT  B O4    1 
ATOM   553  C C5    . DT  B 2 12  ? -18.814 -0.291  -23.817 1.00 52.85 ? 13  DT  B C5    1 
ATOM   554  C C7    . DT  B 2 12  ? -19.686 -1.458  -24.178 1.00 44.36 ? 13  DT  B C7    1 
ATOM   555  C C6    . DT  B 2 12  ? -19.331 0.885   -23.424 1.00 46.37 ? 13  DT  B C6    1 
ATOM   556  P P     . DT  B 2 13  ? -20.258 7.109   -23.775 1.00 72.31 ? 14  DT  B P     1 
ATOM   557  O OP1   . DT  B 2 13  ? -20.416 8.459   -23.189 1.00 73.45 ? 14  DT  B OP1   1 
ATOM   558  O OP2   . DT  B 2 13  ? -21.092 6.703   -24.929 1.00 63.05 ? 14  DT  B OP2   1 
ATOM   559  O "O5'" . DT  B 2 13  ? -18.732 6.900   -24.180 1.00 71.93 ? 14  DT  B "O5'" 1 
ATOM   560  C "C5'" . DT  B 2 13  ? -17.751 6.787   -23.159 1.00 71.41 ? 14  DT  B "C5'" 1 
ATOM   561  C "C4'" . DT  B 2 13  ? -16.357 6.824   -23.747 1.00 69.52 ? 14  DT  B "C4'" 1 
ATOM   562  O "O4'" . DT  B 2 13  ? -15.941 5.478   -24.097 1.00 62.29 ? 14  DT  B "O4'" 1 
ATOM   563  C "C3'" . DT  B 2 13  ? -16.218 7.656   -25.017 1.00 68.77 ? 14  DT  B "C3'" 1 
ATOM   564  O "O3'" . DT  B 2 13  ? -14.993 8.358   -24.976 1.00 60.45 ? 14  DT  B "O3'" 1 
ATOM   565  C "C2'" . DT  B 2 13  ? -16.239 6.606   -26.128 1.00 68.28 ? 14  DT  B "C2'" 1 
ATOM   566  C "C1'" . DT  B 2 13  ? -15.545 5.437   -25.451 1.00 66.50 ? 14  DT  B "C1'" 1 
ATOM   567  N N1    . DT  B 2 13  ? -15.930 4.112   -26.001 1.00 67.60 ? 14  DT  B N1    1 
ATOM   568  C C2    . DT  B 2 13  ? -14.963 3.151   -26.177 1.00 68.62 ? 14  DT  B C2    1 
ATOM   569  O O2    . DT  B 2 13  ? -13.785 3.338   -25.929 1.00 69.58 ? 14  DT  B O2    1 
ATOM   570  N N3    . DT  B 2 13  ? -15.422 1.962   -26.677 1.00 62.51 ? 14  DT  B N3    1 
ATOM   571  C C4    . DT  B 2 13  ? -16.729 1.641   -26.998 1.00 58.22 ? 14  DT  B C4    1 
ATOM   572  O O4    . DT  B 2 13  ? -17.045 0.541   -27.440 1.00 56.08 ? 14  DT  B O4    1 
ATOM   573  C C5    . DT  B 2 13  ? -17.694 2.691   -26.777 1.00 57.83 ? 14  DT  B C5    1 
ATOM   574  C C7    . DT  B 2 13  ? -19.143 2.462   -27.088 1.00 58.17 ? 14  DT  B C7    1 
ATOM   575  C C6    . DT  B 2 13  ? -17.253 3.860   -26.290 1.00 62.27 ? 14  DT  B C6    1 
ATOM   576  P P     . DC  B 2 14  ? -14.675 9.523   -26.033 1.00 88.75 ? 15  DC  B P     1 
ATOM   577  O OP1   . DC  B 2 14  ? -14.185 10.695  -25.274 1.00 88.69 ? 15  DC  B OP1   1 
ATOM   578  O OP2   . DC  B 2 14  ? -15.837 9.664   -26.940 1.00 73.19 ? 15  DC  B OP2   1 
ATOM   579  O "O5'" . DC  B 2 14  ? -13.462 8.914   -26.869 1.00 85.19 ? 15  DC  B "O5'" 1 
ATOM   580  C "C5'" . DC  B 2 14  ? -12.545 8.041   -26.222 1.00 83.15 ? 15  DC  B "C5'" 1 
ATOM   581  C "C4'" . DC  B 2 14  ? -11.711 7.287   -27.235 1.00 83.94 ? 15  DC  B "C4'" 1 
ATOM   582  O "O4'" . DC  B 2 14  ? -12.349 6.021   -27.564 1.00 79.10 ? 15  DC  B "O4'" 1 
ATOM   583  C "C3'" . DC  B 2 14  ? -11.508 8.015   -28.565 1.00 80.94 ? 15  DC  B "C3'" 1 
ATOM   584  O "O3'" . DC  B 2 14  ? -10.175 7.849   -28.990 1.00 86.83 ? 15  DC  B "O3'" 1 
ATOM   585  C "C2'" . DC  B 2 14  ? -12.473 7.290   -29.499 1.00 81.90 ? 15  DC  B "C2'" 1 
ATOM   586  C "C1'" . DC  B 2 14  ? -12.359 5.876   -28.964 1.00 77.89 ? 15  DC  B "C1'" 1 
ATOM   587  N N1    . DC  B 2 14  ? -13.486 4.984   -29.365 1.00 75.65 ? 15  DC  B N1    1 
ATOM   588  C C2    . DC  B 2 14  ? -13.230 3.639   -29.662 1.00 71.39 ? 15  DC  B C2    1 
ATOM   589  O O2    . DC  B 2 14  ? -12.071 3.212   -29.575 1.00 72.25 ? 15  DC  B O2    1 
ATOM   590  N N3    . DC  B 2 14  ? -14.261 2.841   -30.033 1.00 64.93 ? 15  DC  B N3    1 
ATOM   591  C C4    . DC  B 2 14  ? -15.495 3.340   -30.115 1.00 66.91 ? 15  DC  B C4    1 
ATOM   592  N N4    . DC  B 2 14  ? -16.480 2.515   -30.484 1.00 65.71 ? 15  DC  B N4    1 
ATOM   593  C C5    . DC  B 2 14  ? -15.775 4.708   -29.821 1.00 71.78 ? 15  DC  B C5    1 
ATOM   594  C C6    . DC  B 2 14  ? -14.750 5.486   -29.456 1.00 77.14 ? 15  DC  B C6    1 
ATOM   595  P P     . DA  B 2 15  ? -9.274  9.121   -29.371 1.00 86.34 ? 16  DA  B P     1 
ATOM   596  O OP1   . DA  B 2 15  ? -8.980  9.851   -28.118 1.00 86.58 ? 16  DA  B OP1   1 
ATOM   597  O OP2   . DA  B 2 15  ? -9.925  9.822   -30.501 1.00 74.95 ? 16  DA  B OP2   1 
ATOM   598  O "O5'" . DA  B 2 15  ? -7.925  8.456   -29.908 1.00 98.80 ? 16  DA  B "O5'" 1 
ATOM   599  C "C5'" . DA  B 2 15  ? -7.515  7.190   -29.401 1.00 88.40 ? 16  DA  B "C5'" 1 
ATOM   600  C "C4'" . DA  B 2 15  ? -7.450  6.163   -30.515 1.00 86.96 ? 16  DA  B "C4'" 1 
ATOM   601  O "O4'" . DA  B 2 15  ? -8.775  5.631   -30.765 1.00 87.64 ? 16  DA  B "O4'" 1 
ATOM   602  C "C3'" . DA  B 2 15  ? -6.942  6.704   -31.856 1.00 77.11 ? 16  DA  B "C3'" 1 
ATOM   603  O "O3'" . DA  B 2 15  ? -5.873  5.897   -32.335 1.00 81.48 ? 16  DA  B "O3'" 1 
ATOM   604  C "C2'" . DA  B 2 15  ? -8.167  6.632   -32.774 1.00 82.24 ? 16  DA  B "C2'" 1 
ATOM   605  C "C1'" . DA  B 2 15  ? -8.958  5.495   -32.151 1.00 74.78 ? 16  DA  B "C1'" 1 
ATOM   606  N N9    . DA  B 2 15  ? -10.389 5.547   -32.443 1.00 81.68 ? 16  DA  B N9    1 
ATOM   607  C C8    . DA  B 2 15  ? -11.158 6.666   -32.599 1.00 83.60 ? 16  DA  B C8    1 
ATOM   608  N N7    . DA  B 2 15  ? -12.418 6.410   -32.866 1.00 84.28 ? 16  DA  B N7    1 
ATOM   609  C C5    . DA  B 2 15  ? -12.477 5.027   -32.893 1.00 81.80 ? 16  DA  B C5    1 
ATOM   610  C C6    . DA  B 2 15  ? -13.536 4.125   -33.127 1.00 75.18 ? 16  DA  B C6    1 
ATOM   611  N N6    . DA  B 2 15  ? -14.789 4.513   -33.387 1.00 65.56 ? 16  DA  B N6    1 
ATOM   612  N N1    . DA  B 2 15  ? -13.255 2.806   -33.081 1.00 69.20 ? 16  DA  B N1    1 
ATOM   613  C C2    . DA  B 2 15  ? -12.000 2.423   -32.821 1.00 68.01 ? 16  DA  B C2    1 
ATOM   614  N N3    . DA  B 2 15  ? -10.924 3.174   -32.586 1.00 72.97 ? 16  DA  B N3    1 
ATOM   615  C C4    . DA  B 2 15  ? -11.234 4.478   -32.637 1.00 79.61 ? 16  DA  B C4    1 
ATOM   616  N N     . ALA C 3 9   ? 7.302   0.546   13.478  1.00 50.16 ? 170 ALA C N     1 
ATOM   617  C CA    . ALA C 3 9   ? 6.336   0.610   12.388  1.00 48.48 ? 170 ALA C CA    1 
ATOM   618  C C     . ALA C 3 9   ? 6.780   1.603   11.319  1.00 53.65 ? 170 ALA C C     1 
ATOM   619  O O     . ALA C 3 9   ? 6.835   2.809   11.561  1.00 49.12 ? 170 ALA C O     1 
ATOM   620  C CB    . ALA C 3 9   ? 4.963   0.982   12.920  1.00 60.28 ? 170 ALA C CB    1 
ATOM   621  N N     . ARG C 3 10  ? 7.099   1.085   10.137  1.00 53.00 ? 171 ARG C N     1 
ATOM   622  C CA    . ARG C 3 10  ? 7.571   1.916   9.042   1.00 40.76 ? 171 ARG C CA    1 
ATOM   623  C C     . ARG C 3 10  ? 6.410   2.595   8.321   1.00 41.73 ? 171 ARG C C     1 
ATOM   624  O O     . ARG C 3 10  ? 5.263   2.143   8.357   1.00 40.01 ? 171 ARG C O     1 
ATOM   625  C CB    . ARG C 3 10  ? 8.378   1.092   8.038   1.00 41.84 ? 171 ARG C CB    1 
ATOM   626  C CG    . ARG C 3 10  ? 9.797   0.776   8.471   1.00 54.83 ? 171 ARG C CG    1 
ATOM   627  C CD    . ARG C 3 10  ? 10.582  0.187   7.312   1.00 52.62 ? 171 ARG C CD    1 
ATOM   628  N NE    . ARG C 3 10  ? 12.019  0.203   7.554   1.00 63.14 ? 171 ARG C NE    1 
ATOM   629  C CZ    . ARG C 3 10  ? 12.936  -0.019  6.622   1.00 64.78 ? 171 ARG C CZ    1 
ATOM   630  N NH1   . ARG C 3 10  ? 12.599  -0.290  5.372   1.00 62.02 ? 171 ARG C NH1   1 
ATOM   631  N NH2   . ARG C 3 10  ? 14.223  0.030   6.954   1.00 58.55 ? 171 ARG C NH2   1 
ATOM   632  N N     . LYS C 3 11  ? 6.735   3.698   7.655   1.00 40.59 ? 172 LYS C N     1 
ATOM   633  C CA    . LYS C 3 11  ? 5.783   4.491   6.894   1.00 36.68 ? 172 LYS C CA    1 
ATOM   634  C C     . LYS C 3 11  ? 6.016   4.268   5.407   1.00 36.57 ? 172 LYS C C     1 
ATOM   635  O O     . LYS C 3 11  ? 7.158   4.099   4.969   1.00 33.48 ? 172 LYS C O     1 
ATOM   636  C CB    . LYS C 3 11  ? 5.923   5.980   7.225   1.00 32.82 ? 172 LYS C CB    1 
ATOM   637  C CG    . LYS C 3 11  ? 4.887   6.869   6.562   1.00 35.45 ? 172 LYS C CG    1 
ATOM   638  C CD    . LYS C 3 11  ? 5.180   8.335   6.820   1.00 40.92 ? 172 LYS C CD    1 
ATOM   639  C CE    . LYS C 3 11  ? 6.218   8.878   5.850   1.00 34.97 ? 172 LYS C CE    1 
ATOM   640  N NZ    . LYS C 3 11  ? 5.645   9.098   4.494   1.00 28.25 ? 172 LYS C NZ    1 
ATOM   641  N N     . LYS C 3 12  ? 4.935   4.274   4.634   1.00 34.60 ? 173 LYS C N     1 
ATOM   642  C CA    . LYS C 3 12  ? 5.012   4.132   3.189   1.00 33.32 ? 173 LYS C CA    1 
ATOM   643  C C     . LYS C 3 12  ? 4.236   5.262   2.531   1.00 36.42 ? 173 LYS C C     1 
ATOM   644  O O     . LYS C 3 12  ? 3.281   5.793   3.104   1.00 30.64 ? 173 LYS C O     1 
ATOM   645  C CB    . LYS C 3 12  ? 4.463   2.778   2.727   1.00 34.74 ? 173 LYS C CB    1 
ATOM   646  C CG    . LYS C 3 12  ? 5.403   1.612   2.986   1.00 36.82 ? 173 LYS C CG    1 
ATOM   647  C CD    . LYS C 3 12  ? 4.786   0.294   2.546   1.00 40.26 ? 173 LYS C CD    1 
ATOM   648  C CE    . LYS C 3 12  ? 5.773   -0.852  2.704   1.00 45.90 ? 173 LYS C CE    1 
ATOM   649  N NZ    . LYS C 3 12  ? 5.149   -2.170  2.404   1.00 46.59 ? 173 LYS C NZ    1 
ATOM   650  N N     . LEU C 3 13  ? 4.660   5.627   1.322   1.00 31.95 ? 174 LEU C N     1 
ATOM   651  C CA    . LEU C 3 13  ? 4.026   6.730   0.615   1.00 32.39 ? 174 LEU C CA    1 
ATOM   652  C C     . LEU C 3 13  ? 2.549   6.444   0.371   1.00 33.36 ? 174 LEU C C     1 
ATOM   653  O O     . LEU C 3 13  ? 2.123   5.291   0.256   1.00 31.35 ? 174 LEU C O     1 
ATOM   654  C CB    . LEU C 3 13  ? 4.725   6.986   -0.722  1.00 29.90 ? 174 LEU C CB    1 
ATOM   655  C CG    . LEU C 3 13  ? 6.093   7.668   -0.722  1.00 35.96 ? 174 LEU C CG    1 
ATOM   656  C CD1   . LEU C 3 13  ? 6.460   8.094   -2.136  1.00 30.69 ? 174 LEU C CD1   1 
ATOM   657  C CD2   . LEU C 3 13  ? 6.107   8.861   0.219   1.00 28.78 ? 174 LEU C CD2   1 
ATOM   658  N N     . ARG C 3 14  ? 1.767   7.513   0.297   1.00 28.81 ? 175 ARG C N     1 
ATOM   659  C CA    . ARG C 3 14  ? 0.406   7.440   -0.203  1.00 26.67 ? 175 ARG C CA    1 
ATOM   660  C C     . ARG C 3 14  ? 0.410   7.707   -1.701  1.00 26.37 ? 175 ARG C C     1 
ATOM   661  O O     . ARG C 3 14  ? 1.303   8.379   -2.225  1.00 24.53 ? 175 ARG C O     1 
ATOM   662  C CB    . ARG C 3 14  ? -0.496  8.439   0.521   1.00 29.15 ? 175 ARG C CB    1 
ATOM   663  C CG    . ARG C 3 14  ? -0.428  8.312   2.030   1.00 31.80 ? 175 ARG C CG    1 
ATOM   664  C CD    . ARG C 3 14  ? -1.469  9.170   2.718   1.00 39.82 ? 175 ARG C CD    1 
ATOM   665  N NE    . ARG C 3 14  ? -2.809  8.905   2.209   1.00 50.24 ? 175 ARG C NE    1 
ATOM   666  C CZ    . ARG C 3 14  ? -3.926  9.135   2.884   1.00 46.26 ? 175 ARG C CZ    1 
ATOM   667  N NH1   . ARG C 3 14  ? -3.902  9.597   4.124   1.00 38.94 ? 175 ARG C NH1   1 
ATOM   668  N NH2   . ARG C 3 14  ? -5.098  8.889   2.303   1.00 42.62 ? 175 ARG C NH2   1 
ATOM   669  N N     . LEU C 3 15  ? -0.586  7.149   -2.394  1.00 27.78 ? 176 LEU C N     1 
ATOM   670  C CA    . LEU C 3 15  ? -0.629  7.269   -3.848  1.00 32.36 ? 176 LEU C CA    1 
ATOM   671  C C     . LEU C 3 15  ? -0.585  8.727   -4.292  1.00 32.41 ? 176 LEU C C     1 
ATOM   672  O O     . LEU C 3 15  ? 0.125   9.069   -5.245  1.00 32.91 ? 176 LEU C O     1 
ATOM   673  C CB    . LEU C 3 15  ? -1.871  6.570   -4.397  1.00 30.01 ? 176 LEU C CB    1 
ATOM   674  C CG    . LEU C 3 15  ? -1.947  6.453   -5.920  1.00 34.37 ? 176 LEU C CG    1 
ATOM   675  C CD1   . LEU C 3 15  ? -0.624  5.959   -6.490  1.00 22.22 ? 176 LEU C CD1   1 
ATOM   676  C CD2   . LEU C 3 15  ? -3.078  5.519   -6.314  1.00 28.91 ? 176 LEU C CD2   1 
ATOM   677  N N     . TYR C 3 16  ? -1.341  9.603   -3.622  1.00 29.81 ? 177 TYR C N     1 
ATOM   678  C CA    . TYR C 3 16  ? -1.367  10.998  -4.050  1.00 32.99 ? 177 TYR C CA    1 
ATOM   679  C C     . TYR C 3 16  ? -0.034  11.678  -3.775  1.00 27.89 ? 177 TYR C C     1 
ATOM   680  O O     . TYR C 3 16  ? 0.369   12.577  -4.522  1.00 33.30 ? 177 TYR C O     1 
ATOM   681  C CB    . TYR C 3 16  ? -2.514  11.758  -3.374  1.00 27.10 ? 177 TYR C CB    1 
ATOM   682  C CG    . TYR C 3 16  ? -2.316  12.070  -1.905  1.00 29.02 ? 177 TYR C CG    1 
ATOM   683  C CD1   . TYR C 3 16  ? -1.667  13.233  -1.503  1.00 28.02 ? 177 TYR C CD1   1 
ATOM   684  C CD2   . TYR C 3 16  ? -2.800  11.220  -0.923  1.00 26.59 ? 177 TYR C CD2   1 
ATOM   685  C CE1   . TYR C 3 16  ? -1.489  13.527  -0.165  1.00 30.84 ? 177 TYR C CE1   1 
ATOM   686  C CE2   . TYR C 3 16  ? -2.630  11.508  0.417   1.00 31.31 ? 177 TYR C CE2   1 
ATOM   687  C CZ    . TYR C 3 16  ? -1.973  12.661  0.791   1.00 35.52 ? 177 TYR C CZ    1 
ATOM   688  O OH    . TYR C 3 16  ? -1.802  12.949  2.125   1.00 39.28 ? 177 TYR C OH    1 
ATOM   689  N N     . GLN C 3 17  ? 0.665   11.259  -2.718  1.00 26.42 ? 178 GLN C N     1 
ATOM   690  C CA    . GLN C 3 17  ? 2.001   11.782  -2.457  1.00 29.60 ? 178 GLN C CA    1 
ATOM   691  C C     . GLN C 3 17  ? 2.980   11.325  -3.530  1.00 26.53 ? 178 GLN C C     1 
ATOM   692  O O     . GLN C 3 17  ? 3.765   12.126  -4.052  1.00 30.17 ? 178 GLN C O     1 
ATOM   693  C CB    . GLN C 3 17  ? 2.475   11.330  -1.076  1.00 27.40 ? 178 GLN C CB    1 
ATOM   694  C CG    . GLN C 3 17  ? 1.772   12.000  0.090   1.00 28.69 ? 178 GLN C CG    1 
ATOM   695  C CD    . GLN C 3 17  ? 2.077   11.324  1.414   1.00 31.21 ? 178 GLN C CD    1 
ATOM   696  O OE1   . GLN C 3 17  ? 2.325   10.119  1.465   1.00 28.63 ? 178 GLN C OE1   1 
ATOM   697  N NE2   . GLN C 3 17  ? 2.072   12.100  2.491   1.00 30.45 ? 178 GLN C NE2   1 
ATOM   698  N N     . PHE C 3 18  ? 2.954   10.031  -3.858  1.00 25.61 ? 179 PHE C N     1 
ATOM   699  C CA    . PHE C 3 18  ? 3.811   9.498   -4.912  1.00 24.19 ? 179 PHE C CA    1 
ATOM   700  C C     . PHE C 3 18  ? 3.601   10.248  -6.221  1.00 27.27 ? 179 PHE C C     1 
ATOM   701  O O     . PHE C 3 18  ? 4.559   10.722  -6.842  1.00 29.23 ? 179 PHE C O     1 
ATOM   702  C CB    . PHE C 3 18  ? 3.540   8.002   -5.083  1.00 28.85 ? 179 PHE C CB    1 
ATOM   703  C CG    . PHE C 3 18  ? 4.181   7.395   -6.299  1.00 24.77 ? 179 PHE C CG    1 
ATOM   704  C CD1   . PHE C 3 18  ? 5.513   7.019   -6.279  1.00 28.10 ? 179 PHE C CD1   1 
ATOM   705  C CD2   . PHE C 3 18  ? 3.444   7.170   -7.449  1.00 30.19 ? 179 PHE C CD2   1 
ATOM   706  C CE1   . PHE C 3 18  ? 6.105   6.450   -7.391  1.00 36.02 ? 179 PHE C CE1   1 
ATOM   707  C CE2   . PHE C 3 18  ? 4.030   6.601   -8.563  1.00 34.33 ? 179 PHE C CE2   1 
ATOM   708  C CZ    . PHE C 3 18  ? 5.363   6.239   -8.533  1.00 34.51 ? 179 PHE C CZ    1 
ATOM   709  N N     . LEU C 3 19  ? 2.342   10.365  -6.653  1.00 32.41 ? 180 LEU C N     1 
ATOM   710  C CA    . LEU C 3 19  ? 2.030   11.057  -7.900  1.00 27.42 ? 180 LEU C CA    1 
ATOM   711  C C     . LEU C 3 19  ? 2.474   12.514  -7.860  1.00 26.74 ? 180 LEU C C     1 
ATOM   712  O O     . LEU C 3 19  ? 3.193   12.980  -8.751  1.00 27.23 ? 180 LEU C O     1 
ATOM   713  C CB    . LEU C 3 19  ? 0.532   10.960  -8.185  1.00 25.18 ? 180 LEU C CB    1 
ATOM   714  C CG    . LEU C 3 19  ? 0.017   9.572   -8.565  1.00 28.20 ? 180 LEU C CG    1 
ATOM   715  C CD1   . LEU C 3 19  ? -1.496  9.579   -8.685  1.00 25.98 ? 180 LEU C CD1   1 
ATOM   716  C CD2   . LEU C 3 19  ? 0.661   9.102   -9.860  1.00 22.50 ? 180 LEU C CD2   1 
ATOM   717  N N     . LEU C 3 20  ? 2.036   13.257  -6.839  1.00 24.82 ? 181 LEU C N     1 
ATOM   718  C CA    . LEU C 3 20  ? 2.402   14.667  -6.733  1.00 29.69 ? 181 LEU C CA    1 
ATOM   719  C C     . LEU C 3 20  ? 3.915   14.854  -6.722  1.00 24.03 ? 181 LEU C C     1 
ATOM   720  O O     . LEU C 3 20  ? 4.435   15.794  -7.335  1.00 30.06 ? 181 LEU C O     1 
ATOM   721  C CB    . LEU C 3 20  ? 1.777   15.280  -5.479  1.00 27.74 ? 181 LEU C CB    1 
ATOM   722  C CG    . LEU C 3 20  ? 2.054   16.762  -5.219  1.00 32.48 ? 181 LEU C CG    1 
ATOM   723  C CD1   . LEU C 3 20  ? 1.763   17.596  -6.461  1.00 22.34 ? 181 LEU C CD1   1 
ATOM   724  C CD2   . LEU C 3 20  ? 1.247   17.264  -4.031  1.00 24.59 ? 181 LEU C CD2   1 
ATOM   725  N N     . GLY C 3 21  ? 4.637   13.977  -6.022  1.00 25.78 ? 182 GLY C N     1 
ATOM   726  C CA    . GLY C 3 21  ? 6.088   14.076  -6.005  1.00 26.78 ? 182 GLY C CA    1 
ATOM   727  C C     . GLY C 3 21  ? 6.710   13.879  -7.375  1.00 30.90 ? 182 GLY C C     1 
ATOM   728  O O     . GLY C 3 21  ? 7.668   14.566  -7.737  1.00 42.96 ? 182 GLY C O     1 
ATOM   729  N N     . LEU C 3 22  ? 6.177   12.934  -8.153  1.00 30.77 ? 183 LEU C N     1 
ATOM   730  C CA    . LEU C 3 22  ? 6.656   12.739  -9.519  1.00 34.54 ? 183 LEU C CA    1 
ATOM   731  C C     . LEU C 3 22  ? 6.469   13.996  -10.359 1.00 30.93 ? 183 LEU C C     1 
ATOM   732  O O     . LEU C 3 22  ? 7.336   14.346  -11.169 1.00 35.09 ? 183 LEU C O     1 
ATOM   733  C CB    . LEU C 3 22  ? 5.938   11.554  -10.163 1.00 26.95 ? 183 LEU C CB    1 
ATOM   734  C CG    . LEU C 3 22  ? 6.614   10.182  -10.090 1.00 38.78 ? 183 LEU C CG    1 
ATOM   735  C CD1   . LEU C 3 22  ? 7.137   9.878   -8.693  1.00 46.87 ? 183 LEU C CD1   1 
ATOM   736  C CD2   . LEU C 3 22  ? 5.648   9.103   -10.549 1.00 29.07 ? 183 LEU C CD2   1 
ATOM   737  N N     . LEU C 3 23  ? 5.346   14.691  -10.180 1.00 31.58 ? 184 LEU C N     1 
ATOM   738  C CA    . LEU C 3 23  ? 5.068   15.854  -11.014 1.00 34.85 ? 184 LEU C CA    1 
ATOM   739  C C     . LEU C 3 23  ? 5.933   17.041  -10.616 1.00 32.76 ? 184 LEU C C     1 
ATOM   740  O O     . LEU C 3 23  ? 6.423   17.776  -11.481 1.00 34.78 ? 184 LEU C O     1 
ATOM   741  C CB    . LEU C 3 23  ? 3.587   16.215  -10.933 1.00 28.39 ? 184 LEU C CB    1 
ATOM   742  C CG    . LEU C 3 23  ? 2.646   15.149  -11.492 1.00 30.77 ? 184 LEU C CG    1 
ATOM   743  C CD1   . LEU C 3 23  ? 1.216   15.425  -11.074 1.00 29.89 ? 184 LEU C CD1   1 
ATOM   744  C CD2   . LEU C 3 23  ? 2.766   15.087  -13.003 1.00 36.91 ? 184 LEU C CD2   1 
ATOM   745  N N     . LEU C 3 24  ? 6.139   17.244  -9.314  1.00 27.55 ? 185 LEU C N     1 
ATOM   746  C CA    . LEU C 3 24  ? 6.889   18.412  -8.871  1.00 29.79 ? 185 LEU C CA    1 
ATOM   747  C C     . LEU C 3 24  ? 8.367   18.286  -9.216  1.00 36.14 ? 185 LEU C C     1 
ATOM   748  O O     . LEU C 3 24  ? 9.001   19.270  -9.611  1.00 34.71 ? 185 LEU C O     1 
ATOM   749  C CB    . LEU C 3 24  ? 6.702   18.620  -7.369  1.00 30.96 ? 185 LEU C CB    1 
ATOM   750  C CG    . LEU C 3 24  ? 5.278   18.937  -6.909  1.00 37.68 ? 185 LEU C CG    1 
ATOM   751  C CD1   . LEU C 3 24  ? 5.197   18.912  -5.393  1.00 39.03 ? 185 LEU C CD1   1 
ATOM   752  C CD2   . LEU C 3 24  ? 4.825   20.283  -7.455  1.00 26.47 ? 185 LEU C CD2   1 
ATOM   753  N N     . ARG C 3 25  ? 8.934   17.085  -9.081  1.00 32.70 ? 186 ARG C N     1 
ATOM   754  C CA    . ARG C 3 25  ? 10.346  16.888  -9.387  1.00 37.64 ? 186 ARG C CA    1 
ATOM   755  C C     . ARG C 3 25  ? 10.617  16.700  -10.874 1.00 36.02 ? 186 ARG C C     1 
ATOM   756  O O     . ARG C 3 25  ? 11.781  16.764  -11.285 1.00 37.80 ? 186 ARG C O     1 
ATOM   757  C CB    . ARG C 3 25  ? 10.905  15.686  -8.619  1.00 40.56 ? 186 ARG C CB    1 
ATOM   758  C CG    . ARG C 3 25  ? 10.858  15.815  -7.103  1.00 41.88 ? 186 ARG C CG    1 
ATOM   759  C CD    . ARG C 3 25  ? 11.602  14.665  -6.436  1.00 34.15 ? 186 ARG C CD    1 
ATOM   760  N NE    . ARG C 3 25  ? 11.067  13.363  -6.815  1.00 41.13 ? 186 ARG C NE    1 
ATOM   761  C CZ    . ARG C 3 25  ? 10.079  12.743  -6.185  1.00 42.72 ? 186 ARG C CZ    1 
ATOM   762  N NH1   . ARG C 3 25  ? 9.487   13.280  -5.129  1.00 40.28 ? 186 ARG C NH1   1 
ATOM   763  N NH2   . ARG C 3 25  ? 9.672   11.556  -6.625  1.00 41.44 ? 186 ARG C NH2   1 
ATOM   764  N N     . GLY C 3 26  ? 9.587   16.473  -11.684 1.00 39.83 ? 187 GLY C N     1 
ATOM   765  C CA    . GLY C 3 26  ? 9.794   16.239  -13.099 1.00 34.83 ? 187 GLY C CA    1 
ATOM   766  C C     . GLY C 3 26  ? 10.240  14.838  -13.442 1.00 42.89 ? 187 GLY C C     1 
ATOM   767  O O     . GLY C 3 26  ? 10.894  14.638  -14.471 1.00 51.52 ? 187 GLY C O     1 
ATOM   768  N N     . ASP C 3 27  ? 9.916   13.858  -12.604 1.00 40.93 ? 188 ASP C N     1 
ATOM   769  C CA    . ASP C 3 27  ? 10.257  12.472  -12.879 1.00 35.54 ? 188 ASP C CA    1 
ATOM   770  C C     . ASP C 3 27  ? 9.188   11.838  -13.757 1.00 37.42 ? 188 ASP C C     1 
ATOM   771  O O     . ASP C 3 27  ? 8.003   12.170  -13.661 1.00 37.49 ? 188 ASP C O     1 
ATOM   772  C CB    . ASP C 3 27  ? 10.400  11.674  -11.583 1.00 37.53 ? 188 ASP C CB    1 
ATOM   773  C CG    . ASP C 3 27  ? 11.445  12.253  -10.653 1.00 39.16 ? 188 ASP C CG    1 
ATOM   774  O OD1   . ASP C 3 27  ? 12.391  12.903  -11.145 1.00 41.62 ? 188 ASP C OD1   1 
ATOM   775  O OD2   . ASP C 3 27  ? 11.325  12.048  -9.427  1.00 48.07 ? 188 ASP C OD2   1 
ATOM   776  N N     . MET C 3 28  ? 9.621   10.902  -14.601 1.00 38.35 ? 189 MET C N     1 
ATOM   777  C CA    . MET C 3 28  ? 8.726   10.114  -15.448 1.00 37.15 ? 189 MET C CA    1 
ATOM   778  C C     . MET C 3 28  ? 7.745   11.014  -16.199 1.00 48.24 ? 189 MET C C     1 
ATOM   779  O O     . MET C 3 28  ? 6.534   10.782  -16.216 1.00 43.26 ? 189 MET C O     1 
ATOM   780  C CB    . MET C 3 28  ? 7.987   9.061   -14.619 1.00 36.71 ? 189 MET C CB    1 
ATOM   781  C CG    . MET C 3 28  ? 8.887   8.279   -13.672 1.00 35.42 ? 189 MET C CG    1 
ATOM   782  S SD    . MET C 3 28  ? 8.061   6.867   -12.911 1.00 43.83 ? 189 MET C SD    1 
ATOM   783  C CE    . MET C 3 28  ? 8.104   5.687   -14.258 1.00 41.59 ? 189 MET C CE    1 
ATOM   784  N N     . ARG C 3 29  ? 8.289   12.060  -16.831 1.00 49.08 ? 190 ARG C N     1 
ATOM   785  C CA    . ARG C 3 29  ? 7.449   12.994  -17.575 1.00 45.11 ? 190 ARG C CA    1 
ATOM   786  C C     . ARG C 3 29  ? 6.814   12.336  -18.790 1.00 42.62 ? 190 ARG C C     1 
ATOM   787  O O     . ARG C 3 29  ? 5.763   12.787  -19.260 1.00 45.71 ? 190 ARG C O     1 
ATOM   788  C CB    . ARG C 3 29  ? 8.254   14.212  -18.025 1.00 44.81 ? 190 ARG C CB    1 
ATOM   789  C CG    . ARG C 3 29  ? 8.787   15.074  -16.904 1.00 58.06 ? 190 ARG C CG    1 
ATOM   790  C CD    . ARG C 3 29  ? 9.534   16.267  -17.476 1.00 67.68 ? 190 ARG C CD    1 
ATOM   791  N NE    . ARG C 3 29  ? 10.894  16.377  -16.967 1.00 68.13 ? 190 ARG C NE    1 
ATOM   792  C CZ    . ARG C 3 29  ? 11.976  16.032  -17.652 1.00 77.72 ? 190 ARG C CZ    1 
ATOM   793  N NH1   . ARG C 3 29  ? 11.892  15.566  -18.888 1.00 71.14 ? 190 ARG C NH1   1 
ATOM   794  N NH2   . ARG C 3 29  ? 13.172  16.176  -17.091 1.00 73.16 ? 190 ARG C NH2   1 
ATOM   795  N N     . GLU C 3 30  ? 7.437   11.284  -19.319 1.00 43.56 ? 191 GLU C N     1 
ATOM   796  C CA    . GLU C 3 30  ? 6.821   10.514  -20.390 1.00 50.95 ? 191 GLU C CA    1 
ATOM   797  C C     . GLU C 3 30  ? 5.657   9.665   -19.900 1.00 47.28 ? 191 GLU C C     1 
ATOM   798  O O     . GLU C 3 30  ? 4.964   9.061   -20.725 1.00 53.98 ? 191 GLU C O     1 
ATOM   799  C CB    . GLU C 3 30  ? 7.862   9.621   -21.074 1.00 49.08 ? 191 GLU C CB    1 
ATOM   800  C CG    . GLU C 3 30  ? 8.722   8.801   -20.121 1.00 61.00 ? 191 GLU C CG    1 
ATOM   801  C CD    . GLU C 3 30  ? 9.907   9.575   -19.573 1.00 71.10 ? 191 GLU C CD    1 
ATOM   802  O OE1   . GLU C 3 30  ? 10.591  10.260  -20.363 1.00 69.02 ? 191 GLU C OE1   1 
ATOM   803  O OE2   . GLU C 3 30  ? 10.144  9.506   -18.350 1.00 61.86 ? 191 GLU C OE2   1 
ATOM   804  N N     . CYS C 3 31  ? 5.433   9.596   -18.590 1.00 37.74 ? 192 CYS C N     1 
ATOM   805  C CA    . CYS C 3 31  ? 4.373   8.784   -18.007 1.00 46.28 ? 192 CYS C CA    1 
ATOM   806  C C     . CYS C 3 31  ? 3.236   9.613   -17.436 1.00 42.10 ? 192 CYS C C     1 
ATOM   807  O O     . CYS C 3 31  ? 2.076   9.204   -17.522 1.00 42.96 ? 192 CYS C O     1 
ATOM   808  C CB    . CYS C 3 31  ? 4.943   7.883   -16.907 1.00 32.84 ? 192 CYS C CB    1 
ATOM   809  S SG    . CYS C 3 31  ? 6.165   6.694   -17.496 1.00 38.67 ? 192 CYS C SG    1 
ATOM   810  N N     . VAL C 3 32  ? 3.544   10.769  -16.851 1.00 35.05 ? 193 VAL C N     1 
ATOM   811  C CA    . VAL C 3 32  ? 2.535   11.652  -16.280 1.00 31.13 ? 193 VAL C CA    1 
ATOM   812  C C     . VAL C 3 32  ? 3.074   13.076  -16.314 1.00 36.41 ? 193 VAL C C     1 
ATOM   813  O O     . VAL C 3 32  ? 4.285   13.303  -16.240 1.00 43.98 ? 193 VAL C O     1 
ATOM   814  C CB    . VAL C 3 32  ? 2.152   11.216  -14.843 1.00 42.28 ? 193 VAL C CB    1 
ATOM   815  C CG1   . VAL C 3 32  ? 3.263   11.557  -13.859 1.00 36.07 ? 193 VAL C CG1   1 
ATOM   816  C CG2   . VAL C 3 32  ? 0.833   11.844  -14.422 1.00 29.43 ? 193 VAL C CG2   1 
ATOM   817  N N     . TRP C 3 33  ? 2.166   14.038  -16.452 1.00 37.56 ? 194 TRP C N     1 
ATOM   818  C CA    . TRP C 3 33  ? 2.544   15.435  -16.620 1.00 36.36 ? 194 TRP C CA    1 
ATOM   819  C C     . TRP C 3 33  ? 1.384   16.304  -16.156 1.00 40.14 ? 194 TRP C C     1 
ATOM   820  O O     . TRP C 3 33  ? 0.262   15.829  -15.974 1.00 31.22 ? 194 TRP C O     1 
ATOM   821  C CB    . TRP C 3 33  ? 2.911   15.743  -18.075 1.00 40.94 ? 194 TRP C CB    1 
ATOM   822  C CG    . TRP C 3 33  ? 1.856   15.327  -19.058 1.00 45.43 ? 194 TRP C CG    1 
ATOM   823  C CD1   . TRP C 3 33  ? 0.691   15.981  -19.336 1.00 43.82 ? 194 TRP C CD1   1 
ATOM   824  C CD2   . TRP C 3 33  ? 1.869   14.161  -19.890 1.00 42.93 ? 194 TRP C CD2   1 
ATOM   825  N NE1   . TRP C 3 33  ? -0.022  15.295  -20.290 1.00 45.64 ? 194 TRP C NE1   1 
ATOM   826  C CE2   . TRP C 3 33  ? 0.680   14.174  -20.647 1.00 38.34 ? 194 TRP C CE2   1 
ATOM   827  C CE3   . TRP C 3 33  ? 2.770   13.108  -20.070 1.00 45.01 ? 194 TRP C CE3   1 
ATOM   828  C CZ2   . TRP C 3 33  ? 0.370   13.177  -21.567 1.00 42.19 ? 194 TRP C CZ2   1 
ATOM   829  C CZ3   . TRP C 3 33  ? 2.461   12.119  -20.984 1.00 47.49 ? 194 TRP C CZ3   1 
ATOM   830  C CH2   . TRP C 3 33  ? 1.271   12.160  -21.721 1.00 44.72 ? 194 TRP C CH2   1 
ATOM   831  N N     . TRP C 3 34  ? 1.668   17.592  -15.974 1.00 43.28 ? 195 TRP C N     1 
ATOM   832  C CA    . TRP C 3 34  ? 0.615   18.572  -15.753 1.00 40.75 ? 195 TRP C CA    1 
ATOM   833  C C     . TRP C 3 34  ? -0.085  18.920  -17.060 1.00 43.04 ? 195 TRP C C     1 
ATOM   834  O O     . TRP C 3 34  ? 0.546   19.012  -18.117 1.00 41.69 ? 195 TRP C O     1 
ATOM   835  C CB    . TRP C 3 34  ? 1.180   19.851  -15.133 1.00 29.64 ? 195 TRP C CB    1 
ATOM   836  C CG    . TRP C 3 34  ? 1.767   19.696  -13.768 1.00 33.12 ? 195 TRP C CG    1 
ATOM   837  C CD1   . TRP C 3 34  ? 3.080   19.825  -13.421 1.00 33.47 ? 195 TRP C CD1   1 
ATOM   838  C CD2   . TRP C 3 34  ? 1.057   19.417  -12.556 1.00 37.22 ? 195 TRP C CD2   1 
ATOM   839  N NE1   . TRP C 3 34  ? 3.234   19.629  -12.070 1.00 31.96 ? 195 TRP C NE1   1 
ATOM   840  C CE2   . TRP C 3 34  ? 2.006   19.377  -11.516 1.00 31.54 ? 195 TRP C CE2   1 
ATOM   841  C CE3   . TRP C 3 34  ? -0.288  19.189  -12.252 1.00 36.31 ? 195 TRP C CE3   1 
ATOM   842  C CZ2   . TRP C 3 34  ? 1.653   19.119  -10.195 1.00 33.46 ? 195 TRP C CZ2   1 
ATOM   843  C CZ3   . TRP C 3 34  ? -0.635  18.932  -10.940 1.00 34.12 ? 195 TRP C CZ3   1 
ATOM   844  C CH2   . TRP C 3 34  ? 0.330   18.899  -9.928  1.00 39.90 ? 195 TRP C CH2   1 
ATOM   845  N N     . VAL C 3 35  ? -1.397  19.113  -16.981 1.00 44.28 ? 196 VAL C N     1 
ATOM   846  C CA    . VAL C 3 35  ? -2.163  19.724  -18.058 1.00 43.63 ? 196 VAL C CA    1 
ATOM   847  C C     . VAL C 3 35  ? -2.442  21.193  -17.773 1.00 48.33 ? 196 VAL C C     1 
ATOM   848  O O     . VAL C 3 35  ? -2.344  22.034  -18.667 1.00 56.33 ? 196 VAL C O     1 
ATOM   849  C CB    . VAL C 3 35  ? -3.474  18.945  -18.294 1.00 43.28 ? 196 VAL C CB    1 
ATOM   850  C CG1   . VAL C 3 35  ? -4.226  19.517  -19.488 1.00 50.18 ? 196 VAL C CG1   1 
ATOM   851  C CG2   . VAL C 3 35  ? -3.180  17.471  -18.497 1.00 47.90 ? 196 VAL C CG2   1 
ATOM   852  N N     . GLU C 3 36  ? -2.795  21.504  -16.526 1.00 42.73 ? 197 GLU C N     1 
ATOM   853  C CA    . GLU C 3 36  ? -2.956  22.879  -16.060 1.00 46.48 ? 197 GLU C CA    1 
ATOM   854  C C     . GLU C 3 36  ? -2.299  22.954  -14.691 1.00 42.99 ? 197 GLU C C     1 
ATOM   855  O O     . GLU C 3 36  ? -2.942  22.698  -13.664 1.00 43.41 ? 197 GLU C O     1 
ATOM   856  C CB    . GLU C 3 36  ? -4.429  23.288  -15.990 1.00 48.84 ? 197 GLU C CB    1 
ATOM   857  C CG    . GLU C 3 36  ? -5.233  22.977  -17.244 1.00 57.27 ? 197 GLU C CG    1 
ATOM   858  C CD    . GLU C 3 36  ? -6.731  23.011  -17.003 1.00 65.83 ? 197 GLU C CD    1 
ATOM   859  O OE1   . GLU C 3 36  ? -7.189  23.863  -16.213 1.00 69.51 ? 197 GLU C OE1   1 
ATOM   860  O OE2   . GLU C 3 36  ? -7.448  22.181  -17.601 1.00 64.05 ? 197 GLU C OE2   1 
ATOM   861  N N     . PRO C 3 37  ? -1.002  23.277  -14.639 1.00 45.15 ? 198 PRO C N     1 
ATOM   862  C CA    . PRO C 3 37  ? -0.297  23.262  -13.344 1.00 37.55 ? 198 PRO C CA    1 
ATOM   863  C C     . PRO C 3 37  ? -0.931  24.163  -12.301 1.00 39.64 ? 198 PRO C C     1 
ATOM   864  O O     . PRO C 3 37  ? -0.919  23.825  -11.112 1.00 38.57 ? 198 PRO C O     1 
ATOM   865  C CB    . PRO C 3 37  ? 1.120   23.728  -13.708 1.00 37.10 ? 198 PRO C CB    1 
ATOM   866  C CG    . PRO C 3 37  ? 1.248   23.499  -15.175 1.00 40.45 ? 198 PRO C CG    1 
ATOM   867  C CD    . PRO C 3 37  ? -0.121  23.659  -15.755 1.00 43.11 ? 198 PRO C CD    1 
ATOM   868  N N     . GLY C 3 38  ? -1.481  25.307  -12.712 1.00 35.78 ? 199 GLY C N     1 
ATOM   869  C CA    . GLY C 3 38  ? -2.118  26.192  -11.752 1.00 44.47 ? 199 GLY C CA    1 
ATOM   870  C C     . GLY C 3 38  ? -3.360  25.592  -11.125 1.00 43.04 ? 199 GLY C C     1 
ATOM   871  O O     . GLY C 3 38  ? -3.684  25.895  -9.973  1.00 46.14 ? 199 GLY C O     1 
ATOM   872  N N     . ALA C 3 39  ? -4.067  24.738  -11.863 1.00 40.65 ? 200 ALA C N     1 
ATOM   873  C CA    . ALA C 3 39  ? -5.280  24.092  -11.380 1.00 41.28 ? 200 ALA C CA    1 
ATOM   874  C C     . ALA C 3 39  ? -5.033  22.700  -10.814 1.00 35.20 ? 200 ALA C C     1 
ATOM   875  O O     . ALA C 3 39  ? -5.984  22.052  -10.365 1.00 36.04 ? 200 ALA C O     1 
ATOM   876  C CB    . ALA C 3 39  ? -6.320  24.014  -12.503 1.00 39.36 ? 200 ALA C CB    1 
ATOM   877  N N     . GLY C 3 40  ? -3.790  22.225  -10.822 1.00 30.22 ? 201 GLY C N     1 
ATOM   878  C CA    . GLY C 3 40  ? -3.497  20.898  -10.314 1.00 28.35 ? 201 GLY C CA    1 
ATOM   879  C C     . GLY C 3 40  ? -4.037  19.768  -11.159 1.00 31.24 ? 201 GLY C C     1 
ATOM   880  O O     . GLY C 3 40  ? -4.288  18.678  -10.636 1.00 25.24 ? 201 GLY C O     1 
ATOM   881  N N     . VAL C 3 41  ? -4.214  19.993  -12.459 1.00 31.65 ? 202 VAL C N     1 
ATOM   882  C CA    . VAL C 3 41  ? -4.789  19.003  -13.362 1.00 33.31 ? 202 VAL C CA    1 
ATOM   883  C C     . VAL C 3 41  ? -3.659  18.282  -14.081 1.00 38.14 ? 202 VAL C C     1 
ATOM   884  O O     . VAL C 3 41  ? -2.807  18.920  -14.714 1.00 36.49 ? 202 VAL C O     1 
ATOM   885  C CB    . VAL C 3 41  ? -5.749  19.664  -14.365 1.00 37.13 ? 202 VAL C CB    1 
ATOM   886  C CG1   . VAL C 3 41  ? -6.433  18.612  -15.214 1.00 33.73 ? 202 VAL C CG1   1 
ATOM   887  C CG2   . VAL C 3 41  ? -6.774  20.516  -13.634 1.00 34.73 ? 202 VAL C CG2   1 
ATOM   888  N N     . PHE C 3 42  ? -3.650  16.954  -13.987 1.00 33.07 ? 203 PHE C N     1 
ATOM   889  C CA    . PHE C 3 42  ? -2.586  16.137  -14.550 1.00 29.84 ? 203 PHE C CA    1 
ATOM   890  C C     . PHE C 3 42  ? -3.179  14.951  -15.300 1.00 30.38 ? 203 PHE C C     1 
ATOM   891  O O     . PHE C 3 42  ? -4.308  14.524  -15.042 1.00 40.81 ? 203 PHE C O     1 
ATOM   892  C CB    . PHE C 3 42  ? -1.610  15.659  -13.461 1.00 28.55 ? 203 PHE C CB    1 
ATOM   893  C CG    . PHE C 3 42  ? -2.197  14.660  -12.503 1.00 33.30 ? 203 PHE C CG    1 
ATOM   894  C CD1   . PHE C 3 42  ? -2.988  15.075  -11.443 1.00 27.85 ? 203 PHE C CD1   1 
ATOM   895  C CD2   . PHE C 3 42  ? -1.935  13.308  -12.647 1.00 28.49 ? 203 PHE C CD2   1 
ATOM   896  C CE1   . PHE C 3 42  ? -3.520  14.158  -10.555 1.00 26.74 ? 203 PHE C CE1   1 
ATOM   897  C CE2   . PHE C 3 42  ? -2.463  12.386  -11.764 1.00 30.58 ? 203 PHE C CE2   1 
ATOM   898  C CZ    . PHE C 3 42  ? -3.255  12.812  -10.715 1.00 27.15 ? 203 PHE C CZ    1 
ATOM   899  N N     . GLN C 3 43  ? -2.396  14.422  -16.240 1.00 31.88 ? 204 GLN C N     1 
ATOM   900  C CA    . GLN C 3 43  ? -2.848  13.372  -17.143 1.00 35.15 ? 204 GLN C CA    1 
ATOM   901  C C     . GLN C 3 43  ? -1.777  12.297  -17.254 1.00 39.91 ? 204 GLN C C     1 
ATOM   902  O O     . GLN C 3 43  ? -0.581  12.603  -17.266 1.00 38.44 ? 204 GLN C O     1 
ATOM   903  C CB    . GLN C 3 43  ? -3.165  13.942  -18.532 1.00 35.79 ? 204 GLN C CB    1 
ATOM   904  C CG    . GLN C 3 43  ? -3.723  12.943  -19.532 1.00 42.72 ? 204 GLN C CG    1 
ATOM   905  C CD    . GLN C 3 43  ? -4.124  13.601  -20.839 1.00 47.74 ? 204 GLN C CD    1 
ATOM   906  O OE1   . GLN C 3 43  ? -3.651  14.689  -21.169 1.00 47.37 ? 204 GLN C OE1   1 
ATOM   907  N NE2   . GLN C 3 43  ? -5.002  12.945  -21.589 1.00 43.80 ? 204 GLN C NE2   1 
ATOM   908  N N     . PHE C 3 44  ? -2.211  11.043  -17.349 1.00 32.51 ? 205 PHE C N     1 
ATOM   909  C CA    . PHE C 3 44  ? -1.304  9.927   -17.572 1.00 35.24 ? 205 PHE C CA    1 
ATOM   910  C C     . PHE C 3 44  ? -1.144  9.658   -19.063 1.00 42.13 ? 205 PHE C C     1 
ATOM   911  O O     . PHE C 3 44  ? -2.036  9.942   -19.866 1.00 42.51 ? 205 PHE C O     1 
ATOM   912  C CB    . PHE C 3 44  ? -1.812  8.661   -16.878 1.00 34.84 ? 205 PHE C CB    1 
ATOM   913  C CG    . PHE C 3 44  ? -1.771  8.729   -15.380 1.00 31.24 ? 205 PHE C CG    1 
ATOM   914  C CD1   . PHE C 3 44  ? -0.600  8.449   -14.695 1.00 26.17 ? 205 PHE C CD1   1 
ATOM   915  C CD2   . PHE C 3 44  ? -2.903  9.061   -14.655 1.00 29.62 ? 205 PHE C CD2   1 
ATOM   916  C CE1   . PHE C 3 44  ? -0.557  8.507   -13.314 1.00 32.66 ? 205 PHE C CE1   1 
ATOM   917  C CE2   . PHE C 3 44  ? -2.867  9.120   -13.273 1.00 31.18 ? 205 PHE C CE2   1 
ATOM   918  C CZ    . PHE C 3 44  ? -1.692  8.843   -12.603 1.00 23.71 ? 205 PHE C CZ    1 
ATOM   919  N N     . SER C 3 45  ? 0.010   9.103   -19.424 1.00 42.09 ? 206 SER C N     1 
ATOM   920  C CA    . SER C 3 45  ? 0.290   8.763   -20.812 1.00 45.00 ? 206 SER C CA    1 
ATOM   921  C C     . SER C 3 45  ? -0.392  7.451   -21.176 1.00 49.53 ? 206 SER C C     1 
ATOM   922  O O     . SER C 3 45  ? -0.233  6.448   -20.476 1.00 43.12 ? 206 SER C O     1 
ATOM   923  C CB    . SER C 3 45  ? 1.796   8.652   -21.041 1.00 42.23 ? 206 SER C CB    1 
ATOM   924  O OG    . SER C 3 45  ? 2.077   7.881   -22.195 1.00 38.63 ? 206 SER C OG    1 
ATOM   925  N N     . SER C 3 46  ? -1.143  7.461   -22.281 1.00 47.95 ? 207 SER C N     1 
ATOM   926  C CA    . SER C 3 46  ? -1.863  6.266   -22.715 1.00 51.55 ? 207 SER C CA    1 
ATOM   927  C C     . SER C 3 46  ? -0.934  5.066   -22.863 1.00 51.75 ? 207 SER C C     1 
ATOM   928  O O     . SER C 3 46  ? -1.216  3.979   -22.343 1.00 52.72 ? 207 SER C O     1 
ATOM   929  C CB    . SER C 3 46  ? -2.594  6.543   -24.030 1.00 50.20 ? 207 SER C CB    1 
ATOM   930  O OG    . SER C 3 46  ? -3.625  7.498   -23.855 1.00 60.86 ? 207 SER C OG    1 
ATOM   931  N N     . LYS C 3 47  ? 0.187   5.248   -23.564 1.00 52.76 ? 208 LYS C N     1 
ATOM   932  C CA    . LYS C 3 47  ? 1.078   4.135   -23.876 1.00 51.26 ? 208 LYS C CA    1 
ATOM   933  C C     . LYS C 3 47  ? 2.081   3.818   -22.772 1.00 53.17 ? 208 LYS C C     1 
ATOM   934  O O     . LYS C 3 47  ? 2.495   2.660   -22.646 1.00 55.80 ? 208 LYS C O     1 
ATOM   935  C CB    . LYS C 3 47  ? 1.832   4.421   -25.178 1.00 53.68 ? 208 LYS C CB    1 
ATOM   936  C CG    . LYS C 3 47  ? 1.077   4.009   -26.434 1.00 55.16 ? 208 LYS C CG    1 
ATOM   937  C CD    . LYS C 3 47  ? 2.022   3.757   -27.600 1.00 75.54 ? 208 LYS C CD    1 
ATOM   938  C CE    . LYS C 3 47  ? 1.261   3.390   -28.866 1.00 74.30 ? 208 LYS C CE    1 
ATOM   939  N NZ    . LYS C 3 47  ? 0.557   2.085   -28.735 1.00 79.76 ? 208 LYS C NZ    1 
ATOM   940  N N     . HIS C 3 48  ? 2.489   4.803   -21.971 1.00 44.37 ? 209 HIS C N     1 
ATOM   941  C CA    . HIS C 3 48  ? 3.593   4.620   -21.035 1.00 43.69 ? 209 HIS C CA    1 
ATOM   942  C C     . HIS C 3 48  ? 3.161   4.627   -19.573 1.00 46.96 ? 209 HIS C C     1 
ATOM   943  O O     . HIS C 3 48  ? 4.022   4.681   -18.688 1.00 47.23 ? 209 HIS C O     1 
ATOM   944  C CB    . HIS C 3 48  ? 4.657   5.697   -21.264 1.00 43.55 ? 209 HIS C CB    1 
ATOM   945  C CG    . HIS C 3 48  ? 5.024   5.888   -22.703 1.00 49.51 ? 209 HIS C CG    1 
ATOM   946  N ND1   . HIS C 3 48  ? 4.652   7.001   -23.424 1.00 54.32 ? 209 HIS C ND1   1 
ATOM   947  C CD2   . HIS C 3 48  ? 5.734   5.108   -23.552 1.00 51.69 ? 209 HIS C CD2   1 
ATOM   948  C CE1   . HIS C 3 48  ? 5.115   6.898   -24.658 1.00 53.31 ? 209 HIS C CE1   1 
ATOM   949  N NE2   . HIS C 3 48  ? 5.775   5.759   -24.761 1.00 56.42 ? 209 HIS C NE2   1 
ATOM   950  N N     . LYS C 3 49  ? 1.858   4.569   -19.288 1.00 45.53 ? 210 LYS C N     1 
ATOM   951  C CA    . LYS C 3 49  ? 1.420   4.631   -17.896 1.00 43.26 ? 210 LYS C CA    1 
ATOM   952  C C     . LYS C 3 49  ? 1.760   3.360   -17.127 1.00 42.68 ? 210 LYS C C     1 
ATOM   953  O O     . LYS C 3 49  ? 1.946   3.414   -15.906 1.00 41.25 ? 210 LYS C O     1 
ATOM   954  C CB    . LYS C 3 49  ? -0.080  4.913   -17.814 1.00 44.46 ? 210 LYS C CB    1 
ATOM   955  C CG    . LYS C 3 49  ? -0.956  3.912   -18.535 1.00 44.49 ? 210 LYS C CG    1 
ATOM   956  C CD    . LYS C 3 49  ? -2.400  4.377   -18.539 1.00 40.55 ? 210 LYS C CD    1 
ATOM   957  C CE    . LYS C 3 49  ? -3.300  3.356   -19.204 1.00 41.50 ? 210 LYS C CE    1 
ATOM   958  N NZ    . LYS C 3 49  ? -3.008  3.227   -20.659 1.00 52.72 ? 210 LYS C NZ    1 
ATOM   959  N N     . GLU C 3 50  ? 1.832   2.211   -17.807 1.00 40.07 ? 211 GLU C N     1 
ATOM   960  C CA    . GLU C 3 50  ? 2.157   0.971   -17.108 1.00 42.11 ? 211 GLU C CA    1 
ATOM   961  C C     . GLU C 3 50  ? 3.532   1.041   -16.457 1.00 41.32 ? 211 GLU C C     1 
ATOM   962  O O     . GLU C 3 50  ? 3.747   0.439   -15.399 1.00 43.88 ? 211 GLU C O     1 
ATOM   963  C CB    . GLU C 3 50  ? 2.078   -0.221  -18.064 1.00 38.44 ? 211 GLU C CB    1 
ATOM   964  C CG    . GLU C 3 50  ? 0.703   -0.448  -18.681 1.00 46.54 ? 211 GLU C CG    1 
ATOM   965  C CD    . GLU C 3 50  ? -0.392  -0.658  -17.648 1.00 47.49 ? 211 GLU C CD    1 
ATOM   966  O OE1   . GLU C 3 50  ? -0.091  -1.137  -16.534 1.00 43.10 ? 211 GLU C OE1   1 
ATOM   967  O OE2   . GLU C 3 50  ? -1.561  -0.342  -17.955 1.00 48.60 ? 211 GLU C OE2   1 
ATOM   968  N N     . LEU C 3 51  ? 4.471   1.760   -17.076 1.00 41.49 ? 212 LEU C N     1 
ATOM   969  C CA    . LEU C 3 51  ? 5.784   1.948   -16.469 1.00 47.59 ? 212 LEU C CA    1 
ATOM   970  C C     . LEU C 3 51  ? 5.669   2.612   -15.103 1.00 43.93 ? 212 LEU C C     1 
ATOM   971  O O     . LEU C 3 51  ? 6.326   2.196   -14.142 1.00 43.64 ? 212 LEU C O     1 
ATOM   972  C CB    . LEU C 3 51  ? 6.674   2.778   -17.394 1.00 43.01 ? 212 LEU C CB    1 
ATOM   973  C CG    . LEU C 3 51  ? 8.154   2.847   -17.020 1.00 56.02 ? 212 LEU C CG    1 
ATOM   974  C CD1   . LEU C 3 51  ? 8.845   1.531   -17.334 1.00 56.05 ? 212 LEU C CD1   1 
ATOM   975  C CD2   . LEU C 3 51  ? 8.832   4.002   -17.741 1.00 46.30 ? 212 LEU C CD2   1 
ATOM   976  N N     . LEU C 3 52  ? 4.838   3.652   -15.002 1.00 36.52 ? 213 LEU C N     1 
ATOM   977  C CA    . LEU C 3 52  ? 4.657   4.346   -13.732 1.00 44.52 ? 213 LEU C CA    1 
ATOM   978  C C     . LEU C 3 52  ? 3.979   3.455   -12.700 1.00 43.85 ? 213 LEU C C     1 
ATOM   979  O O     . LEU C 3 52  ? 4.381   3.435   -11.530 1.00 39.53 ? 213 LEU C O     1 
ATOM   980  C CB    . LEU C 3 52  ? 3.851   5.628   -13.954 1.00 39.56 ? 213 LEU C CB    1 
ATOM   981  C CG    . LEU C 3 52  ? 3.489   6.512   -12.756 1.00 30.50 ? 213 LEU C CG    1 
ATOM   982  C CD1   . LEU C 3 52  ? 3.423   7.963   -13.196 1.00 29.03 ? 213 LEU C CD1   1 
ATOM   983  C CD2   . LEU C 3 52  ? 2.162   6.102   -12.127 1.00 27.89 ? 213 LEU C CD2   1 
ATOM   984  N N     . ALA C 3 53  ? 2.935   2.729   -13.108 1.00 40.29 ? 214 ALA C N     1 
ATOM   985  C CA    . ALA C 3 53  ? 2.212   1.877   -12.170 1.00 37.37 ? 214 ALA C CA    1 
ATOM   986  C C     . ALA C 3 53  ? 3.134   0.839   -11.543 1.00 40.80 ? 214 ALA C C     1 
ATOM   987  O O     . ALA C 3 53  ? 3.135   0.648   -10.322 1.00 40.94 ? 214 ALA C O     1 
ATOM   988  C CB    . ALA C 3 53  ? 1.036   1.201   -12.877 1.00 40.38 ? 214 ALA C CB    1 
ATOM   989  N N     . ARG C 3 54  ? 3.955   0.180   -12.362 1.00 41.55 ? 215 ARG C N     1 
ATOM   990  C CA    . ARG C 3 54  ? 4.863   -0.829  -11.828 1.00 39.85 ? 215 ARG C CA    1 
ATOM   991  C C     . ARG C 3 54  ? 5.914   -0.212  -10.916 1.00 43.89 ? 215 ARG C C     1 
ATOM   992  O O     . ARG C 3 54  ? 6.386   -0.872  -9.984  1.00 48.11 ? 215 ARG C O     1 
ATOM   993  C CB    . ARG C 3 54  ? 5.507   -1.604  -12.973 1.00 48.97 ? 215 ARG C CB    1 
ATOM   994  C CG    . ARG C 3 54  ? 4.542   -2.592  -13.601 1.00 58.86 ? 215 ARG C CG    1 
ATOM   995  C CD    . ARG C 3 54  ? 4.721   -2.710  -15.095 1.00 60.93 ? 215 ARG C CD    1 
ATOM   996  N NE    . ARG C 3 54  ? 6.025   -3.266  -15.424 1.00 68.87 ? 215 ARG C NE    1 
ATOM   997  C CZ    . ARG C 3 54  ? 6.357   -3.736  -16.617 1.00 67.66 ? 215 ARG C CZ    1 
ATOM   998  N NH1   . ARG C 3 54  ? 5.495   -3.747  -17.621 1.00 71.06 ? 215 ARG C NH1   1 
ATOM   999  N NH2   . ARG C 3 54  ? 7.581   -4.217  -16.803 1.00 63.90 ? 215 ARG C NH2   1 
ATOM   1000 N N     . ARG C 3 55  ? 6.292   1.043   -11.165 1.00 42.59 ? 216 ARG C N     1 
ATOM   1001 C CA    . ARG C 3 55  ? 7.202   1.731   -10.257 1.00 46.03 ? 216 ARG C CA    1 
ATOM   1002 C C     . ARG C 3 55  ? 6.531   1.971   -8.909  1.00 48.10 ? 216 ARG C C     1 
ATOM   1003 O O     . ARG C 3 55  ? 7.163   1.826   -7.855  1.00 40.39 ? 216 ARG C O     1 
ATOM   1004 C CB    . ARG C 3 55  ? 7.660   3.049   -10.882 1.00 49.85 ? 216 ARG C CB    1 
ATOM   1005 C CG    . ARG C 3 55  ? 8.512   3.928   -9.981  1.00 56.24 ? 216 ARG C CG    1 
ATOM   1006 C CD    . ARG C 3 55  ? 9.967   3.490   -9.982  1.00 61.23 ? 216 ARG C CD    1 
ATOM   1007 N NE    . ARG C 3 55  ? 10.292  2.652   -8.835  1.00 71.90 ? 216 ARG C NE    1 
ATOM   1008 C CZ    . ARG C 3 55  ? 10.648  3.120   -7.646  1.00 64.47 ? 216 ARG C CZ    1 
ATOM   1009 N NH1   . ARG C 3 55  ? 10.693  4.419   -7.400  1.00 62.09 ? 216 ARG C NH1   1 
ATOM   1010 N NH2   . ARG C 3 55  ? 10.960  2.262   -6.678  1.00 61.03 ? 216 ARG C NH2   1 
ATOM   1011 N N     . TRP C 3 56  ? 5.247   2.339   -8.932  1.00 42.27 ? 217 TRP C N     1 
ATOM   1012 C CA    . TRP C 3 56  ? 4.470   2.462   -7.702  1.00 40.33 ? 217 TRP C CA    1 
ATOM   1013 C C     . TRP C 3 56  ? 4.431   1.145   -6.936  1.00 40.89 ? 217 TRP C C     1 
ATOM   1014 O O     . TRP C 3 56  ? 4.545   1.130   -5.705  1.00 36.80 ? 217 TRP C O     1 
ATOM   1015 C CB    . TRP C 3 56  ? 3.055   2.936   -8.043  1.00 33.49 ? 217 TRP C CB    1 
ATOM   1016 C CG    . TRP C 3 56  ? 2.056   2.854   -6.923  1.00 32.69 ? 217 TRP C CG    1 
ATOM   1017 C CD1   . TRP C 3 56  ? 0.869   2.178   -6.937  1.00 35.90 ? 217 TRP C CD1   1 
ATOM   1018 C CD2   . TRP C 3 56  ? 2.139   3.488   -5.639  1.00 36.83 ? 217 TRP C CD2   1 
ATOM   1019 N NE1   . TRP C 3 56  ? 0.216   2.340   -5.740  1.00 32.79 ? 217 TRP C NE1   1 
ATOM   1020 C CE2   . TRP C 3 56  ? 0.973   3.141   -4.925  1.00 30.30 ? 217 TRP C CE2   1 
ATOM   1021 C CE3   . TRP C 3 56  ? 3.087   4.310   -5.021  1.00 33.62 ? 217 TRP C CE3   1 
ATOM   1022 C CZ2   . TRP C 3 56  ? 0.731   3.586   -3.627  1.00 38.20 ? 217 TRP C CZ2   1 
ATOM   1023 C CZ3   . TRP C 3 56  ? 2.844   4.751   -3.730  1.00 25.67 ? 217 TRP C CZ3   1 
ATOM   1024 C CH2   . TRP C 3 56  ? 1.676   4.388   -3.048  1.00 30.84 ? 217 TRP C CH2   1 
ATOM   1025 N N     . GLY C 3 57  ? 4.287   0.025   -7.648  1.00 38.73 ? 218 GLY C N     1 
ATOM   1026 C CA    . GLY C 3 57  ? 4.203   -1.262  -6.979  1.00 38.94 ? 218 GLY C CA    1 
ATOM   1027 C C     . GLY C 3 57  ? 5.523   -1.737  -6.411  1.00 43.65 ? 218 GLY C C     1 
ATOM   1028 O O     . GLY C 3 57  ? 5.549   -2.418  -5.381  1.00 40.00 ? 218 GLY C O     1 
ATOM   1029 N N     . GLN C 3 58  ? 6.633   -1.394  -7.068  1.00 46.84 ? 219 GLN C N     1 
ATOM   1030 C CA    . GLN C 3 58  ? 7.945   -1.751  -6.539  1.00 46.63 ? 219 GLN C CA    1 
ATOM   1031 C C     . GLN C 3 58  ? 8.253   -0.979  -5.263  1.00 40.16 ? 219 GLN C C     1 
ATOM   1032 O O     . GLN C 3 58  ? 8.781   -1.545  -4.299  1.00 46.26 ? 219 GLN C O     1 
ATOM   1033 C CB    . GLN C 3 58  ? 9.021   -1.504  -7.595  1.00 47.98 ? 219 GLN C CB    1 
ATOM   1034 C CG    . GLN C 3 58  ? 8.904   -2.400  -8.819  1.00 57.40 ? 219 GLN C CG    1 
ATOM   1035 C CD    . GLN C 3 58  ? 9.761   -1.925  -9.978  1.00 69.37 ? 219 GLN C CD    1 
ATOM   1036 O OE1   . GLN C 3 58  ? 10.511  -0.956  -9.855  1.00 60.85 ? 219 GLN C OE1   1 
ATOM   1037 N NE2   . GLN C 3 58  ? 9.655   -2.610  -11.112 1.00 76.79 ? 219 GLN C NE2   1 
ATOM   1038 N N     . GLN C 3 59  ? 7.936   0.316   -5.241  1.00 44.37 ? 220 GLN C N     1 
ATOM   1039 C CA    . GLN C 3 59  ? 8.209   1.119   -4.055  1.00 45.77 ? 220 GLN C CA    1 
ATOM   1040 C C     . GLN C 3 59  ? 7.355   0.670   -2.876  1.00 47.23 ? 220 GLN C C     1 
ATOM   1041 O O     . GLN C 3 59  ? 7.834   0.628   -1.737  1.00 52.04 ? 220 GLN C O     1 
ATOM   1042 C CB    . GLN C 3 59  ? 7.974   2.597   -4.364  1.00 47.18 ? 220 GLN C CB    1 
ATOM   1043 C CG    . GLN C 3 59  ? 8.346   3.538   -3.236  1.00 50.27 ? 220 GLN C CG    1 
ATOM   1044 C CD    . GLN C 3 59  ? 8.601   4.949   -3.724  1.00 51.61 ? 220 GLN C CD    1 
ATOM   1045 O OE1   . GLN C 3 59  ? 8.658   5.200   -4.928  1.00 51.14 ? 220 GLN C OE1   1 
ATOM   1046 N NE2   . GLN C 3 59  ? 8.762   5.878   -2.792  1.00 56.01 ? 220 GLN C NE2   1 
ATOM   1047 N N     . LYS C 3 60  ? 6.091   0.323   -3.129  1.00 41.78 ? 221 LYS C N     1 
ATOM   1048 C CA    . LYS C 3 60  ? 5.227   -0.170  -2.063  1.00 36.64 ? 221 LYS C CA    1 
ATOM   1049 C C     . LYS C 3 60  ? 5.625   -1.560  -1.588  1.00 34.86 ? 221 LYS C C     1 
ATOM   1050 O O     . LYS C 3 60  ? 5.313   -1.922  -0.449  1.00 36.65 ? 221 LYS C O     1 
ATOM   1051 C CB    . LYS C 3 60  ? 3.767   -0.183  -2.523  1.00 37.18 ? 221 LYS C CB    1 
ATOM   1052 C CG    . LYS C 3 60  ? 3.080   1.172   -2.462  1.00 35.21 ? 221 LYS C CG    1 
ATOM   1053 C CD    . LYS C 3 60  ? 2.976   1.670   -1.026  1.00 40.04 ? 221 LYS C CD    1 
ATOM   1054 C CE    . LYS C 3 60  ? 2.001   0.831   -0.210  1.00 32.37 ? 221 LYS C CE    1 
ATOM   1055 N NZ    . LYS C 3 60  ? 0.599   0.964   -0.696  1.00 29.18 ? 221 LYS C NZ    1 
ATOM   1056 N N     . GLY C 3 61  ? 6.303   -2.340  -2.427  1.00 36.86 ? 222 GLY C N     1 
ATOM   1057 C CA    . GLY C 3 61  ? 6.682   -3.687  -2.050  1.00 39.87 ? 222 GLY C CA    1 
ATOM   1058 C C     . GLY C 3 61  ? 5.567   -4.700  -2.163  1.00 46.12 ? 222 GLY C C     1 
ATOM   1059 O O     . GLY C 3 61  ? 5.566   -5.692  -1.428  1.00 41.99 ? 222 GLY C O     1 
ATOM   1060 N N     . ASN C 3 62  ? 4.618   -4.481  -3.070  1.00 42.89 ? 223 ASN C N     1 
ATOM   1061 C CA    . ASN C 3 62  ? 3.449   -5.341  -3.173  1.00 43.39 ? 223 ASN C CA    1 
ATOM   1062 C C     . ASN C 3 62  ? 3.816   -6.702  -3.760  1.00 44.56 ? 223 ASN C C     1 
ATOM   1063 O O     . ASN C 3 62  ? 4.848   -6.874  -4.415  1.00 48.94 ? 223 ASN C O     1 
ATOM   1064 C CB    . ASN C 3 62  ? 2.368   -4.674  -4.023  1.00 42.60 ? 223 ASN C CB    1 
ATOM   1065 C CG    . ASN C 3 62  ? 1.915   -3.346  -3.451  1.00 39.60 ? 223 ASN C CG    1 
ATOM   1066 O OD1   . ASN C 3 62  ? 1.881   -3.165  -2.234  1.00 39.08 ? 223 ASN C OD1   1 
ATOM   1067 N ND2   . ASN C 3 62  ? 1.563   -2.409  -4.324  1.00 34.27 ? 223 ASN C ND2   1 
ATOM   1068 N N     . ARG C 3 63  ? 2.941   -7.681  -3.513  1.00 46.94 ? 224 ARG C N     1 
ATOM   1069 C CA    . ARG C 3 63  ? 3.222   -9.049  -3.934  1.00 53.04 ? 224 ARG C CA    1 
ATOM   1070 C C     . ARG C 3 63  ? 3.065   -9.216  -5.441  1.00 53.61 ? 224 ARG C C     1 
ATOM   1071 O O     . ARG C 3 63  ? 3.906   -9.848  -6.091  1.00 55.90 ? 224 ARG C O     1 
ATOM   1072 C CB    . ARG C 3 63  ? 2.310   -10.023 -3.187  1.00 52.65 ? 224 ARG C CB    1 
ATOM   1073 C CG    . ARG C 3 63  ? 2.424   -9.931  -1.676  1.00 68.00 ? 224 ARG C CG    1 
ATOM   1074 C CD    . ARG C 3 63  ? 1.931   -11.199 -1.002  1.00 67.79 ? 224 ARG C CD    1 
ATOM   1075 N NE    . ARG C 3 63  ? 2.092   -11.134 0.446   1.00 69.01 ? 224 ARG C NE    1 
ATOM   1076 C CZ    . ARG C 3 63  ? 3.206   -11.454 1.091   1.00 75.01 ? 224 ARG C CZ    1 
ATOM   1077 N NH1   . ARG C 3 63  ? 4.280   -11.880 0.446   1.00 78.13 ? 224 ARG C NH1   1 
ATOM   1078 N NH2   . ARG C 3 63  ? 3.242   -11.346 2.416   1.00 81.66 ? 224 ARG C NH2   1 
ATOM   1079 N N     . LYS C 3 64  ? 2.006   -8.656  -6.015  1.00 48.90 ? 225 LYS C N     1 
ATOM   1080 C CA    . LYS C 3 64  ? 1.755   -8.748  -7.445  1.00 45.92 ? 225 LYS C CA    1 
ATOM   1081 C C     . LYS C 3 64  ? 2.293   -7.514  -8.159  1.00 47.01 ? 225 LYS C C     1 
ATOM   1082 O O     . LYS C 3 64  ? 2.542   -6.471  -7.549  1.00 47.71 ? 225 LYS C O     1 
ATOM   1083 C CB    . LYS C 3 64  ? 0.255   -8.895  -7.727  1.00 50.40 ? 225 LYS C CB    1 
ATOM   1084 C CG    . LYS C 3 64  ? -0.429  -10.012 -6.957  1.00 45.34 ? 225 LYS C CG    1 
ATOM   1085 C CD    . LYS C 3 64  ? 0.093   -11.373 -7.373  1.00 50.91 ? 225 LYS C CD    1 
ATOM   1086 C CE    . LYS C 3 64  ? -0.609  -12.485 -6.615  1.00 51.01 ? 225 LYS C CE    1 
ATOM   1087 N NZ    . LYS C 3 64  ? -0.177  -13.828 -7.086  1.00 54.71 ? 225 LYS C NZ    1 
ATOM   1088 N N     . ARG C 3 65  ? 2.479   -7.650  -9.469  1.00 42.94 ? 226 ARG C N     1 
ATOM   1089 C CA    . ARG C 3 65  ? 2.896   -6.522  -10.289 1.00 41.50 ? 226 ARG C CA    1 
ATOM   1090 C C     . ARG C 3 65  ? 1.770   -5.495  -10.349 1.00 42.93 ? 226 ARG C C     1 
ATOM   1091 O O     . ARG C 3 65  ? 0.618   -5.840  -10.627 1.00 41.52 ? 226 ARG C O     1 
ATOM   1092 C CB    . ARG C 3 65  ? 3.272   -7.006  -11.690 1.00 45.62 ? 226 ARG C CB    1 
ATOM   1093 C CG    . ARG C 3 65  ? 3.423   -5.916  -12.734 1.00 53.21 ? 226 ARG C CG    1 
ATOM   1094 C CD    . ARG C 3 65  ? 3.874   -6.509  -14.062 1.00 54.30 ? 226 ARG C CD    1 
ATOM   1095 N NE    . ARG C 3 65  ? 5.319   -6.420  -14.238 1.00 69.09 ? 226 ARG C NE    1 
ATOM   1096 C CZ    . ARG C 3 65  ? 6.008   -7.093  -15.150 1.00 73.53 ? 226 ARG C CZ    1 
ATOM   1097 N NH1   . ARG C 3 65  ? 5.419   -7.945  -15.974 1.00 71.46 ? 226 ARG C NH1   1 
ATOM   1098 N NH2   . ARG C 3 65  ? 7.325   -6.914  -15.232 1.00 65.03 ? 226 ARG C NH2   1 
ATOM   1099 N N     . MET C 3 66  ? 2.096   -4.235  -10.070 1.00 36.71 ? 227 MET C N     1 
ATOM   1100 C CA    . MET C 3 66  ? 1.097   -3.175  -10.098 1.00 40.33 ? 227 MET C CA    1 
ATOM   1101 C C     . MET C 3 66  ? 0.767   -2.773  -11.530 1.00 43.86 ? 227 MET C C     1 
ATOM   1102 O O     . MET C 3 66  ? 1.649   -2.676  -12.387 1.00 40.68 ? 227 MET C O     1 
ATOM   1103 C CB    . MET C 3 66  ? 1.580   -1.957  -9.310  1.00 36.20 ? 227 MET C CB    1 
ATOM   1104 C CG    . MET C 3 66  ? 0.651   -0.747  -9.380  1.00 32.82 ? 227 MET C CG    1 
ATOM   1105 S SD    . MET C 3 66  ? -1.008  -1.027  -8.733  1.00 36.54 ? 227 MET C SD    1 
ATOM   1106 C CE    . MET C 3 66  ? -0.641  -1.507  -7.048  1.00 29.91 ? 227 MET C CE    1 
ATOM   1107 N N     . THR C 3 67  ? -0.518  -2.544  -11.783 1.00 36.72 ? 228 THR C N     1 
ATOM   1108 C CA    . THR C 3 67  ? -1.024  -2.162  -13.090 1.00 33.90 ? 228 THR C CA    1 
ATOM   1109 C C     . THR C 3 67  ? -1.807  -0.862  -12.957 1.00 39.71 ? 228 THR C C     1 
ATOM   1110 O O     . THR C 3 67  ? -2.181  -0.448  -11.856 1.00 37.10 ? 228 THR C O     1 
ATOM   1111 C CB    . THR C 3 67  ? -1.920  -3.252  -13.691 1.00 41.22 ? 228 THR C CB    1 
ATOM   1112 O OG1   . THR C 3 67  ? -2.930  -3.618  -12.744 1.00 40.31 ? 228 THR C OG1   1 
ATOM   1113 C CG2   . THR C 3 67  ? -1.095  -4.483  -14.029 1.00 41.75 ? 228 THR C CG2   1 
ATOM   1114 N N     . TYR C 3 68  ? -2.042  -0.210  -14.097 1.00 33.35 ? 229 TYR C N     1 
ATOM   1115 C CA    . TYR C 3 68  ? -2.785  1.045   -14.074 1.00 30.61 ? 229 TYR C CA    1 
ATOM   1116 C C     . TYR C 3 68  ? -4.229  0.825   -13.645 1.00 32.47 ? 229 TYR C C     1 
ATOM   1117 O O     . TYR C 3 68  ? -4.812  1.677   -12.964 1.00 34.46 ? 229 TYR C O     1 
ATOM   1118 C CB    . TYR C 3 68  ? -2.741  1.723   -15.440 1.00 37.31 ? 229 TYR C CB    1 
ATOM   1119 C CG    . TYR C 3 68  ? -3.407  3.079   -15.433 1.00 34.80 ? 229 TYR C CG    1 
ATOM   1120 C CD1   . TYR C 3 68  ? -2.769  4.185   -14.887 1.00 33.52 ? 229 TYR C CD1   1 
ATOM   1121 C CD2   . TYR C 3 68  ? -4.686  3.247   -15.948 1.00 36.89 ? 229 TYR C CD2   1 
ATOM   1122 C CE1   . TYR C 3 68  ? -3.380  5.424   -14.870 1.00 33.70 ? 229 TYR C CE1   1 
ATOM   1123 C CE2   . TYR C 3 68  ? -5.303  4.480   -15.935 1.00 37.89 ? 229 TYR C CE2   1 
ATOM   1124 C CZ    . TYR C 3 68  ? -4.647  5.565   -15.395 1.00 37.09 ? 229 TYR C CZ    1 
ATOM   1125 O OH    . TYR C 3 68  ? -5.261  6.795   -15.382 1.00 44.15 ? 229 TYR C OH    1 
ATOM   1126 N N     . GLN C 3 69  ? -4.828  -0.298  -14.049 1.00 31.80 ? 230 GLN C N     1 
ATOM   1127 C CA    . GLN C 3 69  ? -6.183  -0.619  -13.610 1.00 32.03 ? 230 GLN C CA    1 
ATOM   1128 C C     . GLN C 3 69  ? -6.285  -0.606  -12.090 1.00 30.85 ? 230 GLN C C     1 
ATOM   1129 O O     . GLN C 3 69  ? -7.209  -0.013  -11.522 1.00 30.05 ? 230 GLN C O     1 
ATOM   1130 C CB    . GLN C 3 69  ? -6.604  -1.981  -14.166 1.00 34.41 ? 230 GLN C CB    1 
ATOM   1131 N N     . LYS C 3 70  ? -5.329  -1.246  -11.413 1.00 30.99 ? 231 LYS C N     1 
ATOM   1132 C CA    . LYS C 3 70  ? -5.347  -1.263  -9.954  1.00 30.18 ? 231 LYS C CA    1 
ATOM   1133 C C     . LYS C 3 70  ? -4.971  0.094   -9.369  1.00 28.15 ? 231 LYS C C     1 
ATOM   1134 O O     . LYS C 3 70  ? -5.506  0.494   -8.329  1.00 28.41 ? 231 LYS C O     1 
ATOM   1135 C CB    . LYS C 3 70  ? -4.416  -2.357  -9.431  1.00 31.33 ? 231 LYS C CB    1 
ATOM   1136 C CG    . LYS C 3 70  ? -4.906  -3.770  -9.719  1.00 33.62 ? 231 LYS C CG    1 
ATOM   1137 C CD    . LYS C 3 70  ? -4.029  -4.816  -9.050  1.00 34.99 ? 231 LYS C CD    1 
ATOM   1138 C CE    . LYS C 3 70  ? -2.597  -4.753  -9.549  1.00 37.87 ? 231 LYS C CE    1 
ATOM   1139 N NZ    . LYS C 3 70  ? -1.756  -5.812  -8.924  1.00 45.16 ? 231 LYS C NZ    1 
ATOM   1140 N N     . LEU C 3 71  ? -4.053  0.819   -10.016 1.00 36.14 ? 232 LEU C N     1 
ATOM   1141 C CA    . LEU C 3 71  ? -3.730  2.166   -9.553  1.00 33.12 ? 232 LEU C CA    1 
ATOM   1142 C C     . LEU C 3 71  ? -4.916  3.108   -9.724  1.00 29.41 ? 232 LEU C C     1 
ATOM   1143 O O     . LEU C 3 71  ? -5.194  3.931   -8.843  1.00 26.29 ? 232 LEU C O     1 
ATOM   1144 C CB    . LEU C 3 71  ? -2.498  2.695   -10.292 1.00 33.58 ? 232 LEU C CB    1 
ATOM   1145 C CG    . LEU C 3 71  ? -1.960  4.089   -9.946  1.00 34.72 ? 232 LEU C CG    1 
ATOM   1146 C CD1   . LEU C 3 71  ? -0.449  4.113   -10.099 1.00 39.46 ? 232 LEU C CD1   1 
ATOM   1147 C CD2   . LEU C 3 71  ? -2.580  5.167   -10.826 1.00 30.00 ? 232 LEU C CD2   1 
ATOM   1148 N N     . ALA C 3 72  ? -5.624  3.006   -10.851 1.00 35.52 ? 233 ALA C N     1 
ATOM   1149 C CA    . ALA C 3 72  ? -6.802  3.840   -11.061 1.00 31.58 ? 233 ALA C CA    1 
ATOM   1150 C C     . ALA C 3 72  ? -7.907  3.484   -10.077 1.00 33.30 ? 233 ALA C C     1 
ATOM   1151 O O     . ALA C 3 72  ? -8.637  4.366   -9.607  1.00 32.11 ? 233 ALA C O     1 
ATOM   1152 C CB    . ALA C 3 72  ? -7.297  3.702   -12.499 1.00 28.82 ? 233 ALA C CB    1 
ATOM   1153 N N     . ARG C 3 73  ? -8.063  2.191   -9.781  1.00 34.12 ? 234 ARG C N     1 
ATOM   1154 C CA    . ARG C 3 73  ? -9.002  1.754   -8.753  1.00 35.09 ? 234 ARG C CA    1 
ATOM   1155 C C     . ARG C 3 73  ? -8.736  2.453   -7.424  1.00 34.25 ? 234 ARG C C     1 
ATOM   1156 O O     . ARG C 3 73  ? -9.665  2.921   -6.756  1.00 28.79 ? 234 ARG C O     1 
ATOM   1157 C CB    . ARG C 3 73  ? -8.921  0.234   -8.588  1.00 32.79 ? 234 ARG C CB    1 
ATOM   1158 C CG    . ARG C 3 73  ? -9.898  -0.330  -7.569  1.00 33.15 ? 234 ARG C CG    1 
ATOM   1159 C CD    . ARG C 3 73  ? -11.331 -0.130  -8.029  1.00 36.26 ? 234 ARG C CD    1 
ATOM   1160 N NE    . ARG C 3 73  ? -12.291 -0.462  -6.984  1.00 34.04 ? 234 ARG C NE    1 
ATOM   1161 C CZ    . ARG C 3 73  ? -12.652 0.368   -6.016  1.00 32.34 ? 234 ARG C CZ    1 
ATOM   1162 N NH1   . ARG C 3 73  ? -12.158 1.592   -5.936  1.00 30.80 ? 234 ARG C NH1   1 
ATOM   1163 N NH2   . ARG C 3 73  ? -13.535 -0.040  -5.108  1.00 38.89 ? 234 ARG C NH2   1 
ATOM   1164 N N     . ALA C 3 74  ? -7.464  2.530   -7.023  1.00 26.98 ? 235 ALA C N     1 
ATOM   1165 C CA    . ALA C 3 74  ? -7.118  3.219   -5.784  1.00 29.22 ? 235 ALA C CA    1 
ATOM   1166 C C     . ALA C 3 74  ? -7.391  4.715   -5.878  1.00 28.27 ? 235 ALA C C     1 
ATOM   1167 O O     . ALA C 3 74  ? -7.787  5.340   -4.887  1.00 28.71 ? 235 ALA C O     1 
ATOM   1168 C CB    . ALA C 3 74  ? -5.653  2.963   -5.430  1.00 24.24 ? 235 ALA C CB    1 
ATOM   1169 N N     . LEU C 3 75  ? -7.178  5.312   -7.053  1.00 27.84 ? 236 LEU C N     1 
ATOM   1170 C CA    . LEU C 3 75  ? -7.407  6.748   -7.196  1.00 26.71 ? 236 LEU C CA    1 
ATOM   1171 C C     . LEU C 3 75  ? -8.875  7.108   -7.003  1.00 29.57 ? 236 LEU C C     1 
ATOM   1172 O O     . LEU C 3 75  ? -9.190  8.166   -6.446  1.00 33.81 ? 236 LEU C O     1 
ATOM   1173 C CB    . LEU C 3 75  ? -6.926  7.226   -8.565  1.00 26.53 ? 236 LEU C CB    1 
ATOM   1174 C CG    . LEU C 3 75  ? -5.420  7.316   -8.794  1.00 27.30 ? 236 LEU C CG    1 
ATOM   1175 C CD1   . LEU C 3 75  ? -5.142  7.754   -10.220 1.00 26.00 ? 236 LEU C CD1   1 
ATOM   1176 C CD2   . LEU C 3 75  ? -4.804  8.289   -7.805  1.00 25.04 ? 236 LEU C CD2   1 
ATOM   1177 N N     . ARG C 3 76  ? -9.787  6.245   -7.457  1.00 24.24 ? 237 ARG C N     1 
ATOM   1178 C CA    . ARG C 3 76  ? -11.211 6.539   -7.321  1.00 29.56 ? 237 ARG C CA    1 
ATOM   1179 C C     . ARG C 3 76  ? -11.636 6.645   -5.860  1.00 31.49 ? 237 ARG C C     1 
ATOM   1180 O O     . ARG C 3 76  ? -12.563 7.398   -5.540  1.00 31.69 ? 237 ARG C O     1 
ATOM   1181 C CB    . ARG C 3 76  ? -12.038 5.480   -8.055  1.00 26.87 ? 237 ARG C CB    1 
ATOM   1182 C CG    . ARG C 3 76  ? -11.908 5.571   -9.570  1.00 42.60 ? 237 ARG C CG    1 
ATOM   1183 C CD    . ARG C 3 76  ? -13.048 4.880   -10.305 1.00 42.61 ? 237 ARG C CD    1 
ATOM   1184 N NE    . ARG C 3 76  ? -12.969 3.427   -10.218 1.00 41.63 ? 237 ARG C NE    1 
ATOM   1185 C CZ    . ARG C 3 76  ? -12.186 2.676   -10.982 1.00 41.61 ? 237 ARG C CZ    1 
ATOM   1186 N NH1   . ARG C 3 76  ? -11.378 3.214   -11.881 1.00 39.85 ? 237 ARG C NH1   1 
ATOM   1187 N NH2   . ARG C 3 76  ? -12.217 1.354   -10.842 1.00 34.85 ? 237 ARG C NH2   1 
ATOM   1188 N N     . ASN C 3 77  ? -10.980 5.898   -4.966  1.00 37.50 ? 238 ASN C N     1 
ATOM   1189 C CA    . ASN C 3 77  ? -11.311 5.965   -3.544  1.00 30.46 ? 238 ASN C CA    1 
ATOM   1190 C C     . ASN C 3 77  ? -11.079 7.355   -2.962  1.00 26.19 ? 238 ASN C C     1 
ATOM   1191 O O     . ASN C 3 77  ? -11.742 7.737   -1.992  1.00 32.82 ? 238 ASN C O     1 
ATOM   1192 C CB    . ASN C 3 77  ? -10.499 4.929   -2.766  1.00 30.94 ? 238 ASN C CB    1 
ATOM   1193 C CG    . ASN C 3 77  ? -11.029 3.519   -2.942  1.00 30.46 ? 238 ASN C CG    1 
ATOM   1194 O OD1   . ASN C 3 77  ? -12.194 3.318   -3.284  1.00 30.19 ? 238 ASN C OD1   1 
ATOM   1195 N ND2   . ASN C 3 77  ? -10.176 2.533   -2.693  1.00 28.00 ? 238 ASN C ND2   1 
ATOM   1196 N N     . TYR C 3 78  ? -10.143 8.120   -3.529  1.00 28.94 ? 239 TYR C N     1 
ATOM   1197 C CA    . TYR C 3 78  ? -9.903  9.491   -3.085  1.00 28.69 ? 239 TYR C CA    1 
ATOM   1198 C C     . TYR C 3 78  ? -11.124 10.394  -3.226  1.00 34.11 ? 239 TYR C C     1 
ATOM   1199 O O     . TYR C 3 78  ? -11.117 11.499  -2.672  1.00 28.57 ? 239 TYR C O     1 
ATOM   1200 C CB    . TYR C 3 78  ? -8.727  10.092  -3.860  1.00 26.88 ? 239 TYR C CB    1 
ATOM   1201 C CG    . TYR C 3 78  ? -7.373  9.621   -3.379  1.00 23.92 ? 239 TYR C CG    1 
ATOM   1202 C CD1   . TYR C 3 78  ? -7.112  9.485   -2.023  1.00 34.37 ? 239 TYR C CD1   1 
ATOM   1203 C CD2   . TYR C 3 78  ? -6.357  9.311   -4.276  1.00 29.45 ? 239 TYR C CD2   1 
ATOM   1204 C CE1   . TYR C 3 78  ? -5.881  9.054   -1.570  1.00 30.80 ? 239 TYR C CE1   1 
ATOM   1205 C CE2   . TYR C 3 78  ? -5.119  8.879   -3.831  1.00 28.14 ? 239 TYR C CE2   1 
ATOM   1206 C CZ    . TYR C 3 78  ? -4.888  8.752   -2.478  1.00 30.37 ? 239 TYR C CZ    1 
ATOM   1207 O OH    . TYR C 3 78  ? -3.660  8.323   -2.027  1.00 30.90 ? 239 TYR C OH    1 
ATOM   1208 N N     . ALA C 3 79  ? -12.155 9.969   -3.962  1.00 26.43 ? 240 ALA C N     1 
ATOM   1209 C CA    . ALA C 3 79  ? -13.364 10.777  -4.079  1.00 33.84 ? 240 ALA C CA    1 
ATOM   1210 C C     . ALA C 3 79  ? -14.065 10.935  -2.736  1.00 32.96 ? 240 ALA C C     1 
ATOM   1211 O O     . ALA C 3 79  ? -14.713 11.958  -2.488  1.00 27.89 ? 240 ALA C O     1 
ATOM   1212 C CB    . ALA C 3 79  ? -14.308 10.155  -5.107  1.00 34.01 ? 240 ALA C CB    1 
ATOM   1213 N N     . LYS C 3 80  ? -13.937 9.941   -1.855  1.00 34.69 ? 241 LYS C N     1 
ATOM   1214 C CA    . LYS C 3 80  ? -14.524 10.042  -0.523  1.00 32.44 ? 241 LYS C CA    1 
ATOM   1215 C C     . LYS C 3 80  ? -13.866 11.150  0.287   1.00 33.49 ? 241 LYS C C     1 
ATOM   1216 O O     . LYS C 3 80  ? -14.532 11.820  1.084   1.00 29.61 ? 241 LYS C O     1 
ATOM   1217 C CB    . LYS C 3 80  ? -14.403 8.705   0.205   1.00 35.01 ? 241 LYS C CB    1 
ATOM   1218 C CG    . LYS C 3 80  ? -15.226 7.587   -0.401  1.00 38.51 ? 241 LYS C CG    1 
ATOM   1219 C CD    . LYS C 3 80  ? -14.720 6.230   0.062   1.00 45.57 ? 241 LYS C CD    1 
ATOM   1220 C CE    . LYS C 3 80  ? -15.388 5.105   -0.713  1.00 52.51 ? 241 LYS C CE    1 
ATOM   1221 N NZ    . LYS C 3 80  ? -14.655 3.818   -0.569  1.00 51.00 ? 241 LYS C NZ    1 
ATOM   1222 N N     . THR C 3 81  ? -12.559 11.358  0.100   1.00 31.05 ? 242 THR C N     1 
ATOM   1223 C CA    . THR C 3 81  ? -11.796 12.271  0.937   1.00 32.04 ? 242 THR C CA    1 
ATOM   1224 C C     . THR C 3 81  ? -11.251 13.483  0.193   1.00 34.95 ? 242 THR C C     1 
ATOM   1225 O O     . THR C 3 81  ? -10.737 14.397  0.845   1.00 32.18 ? 242 THR C O     1 
ATOM   1226 C CB    . THR C 3 81  ? -10.627 11.537  1.615   1.00 36.60 ? 242 THR C CB    1 
ATOM   1227 O OG1   . THR C 3 81  ? -9.941  10.722  0.656   1.00 31.88 ? 242 THR C OG1   1 
ATOM   1228 C CG2   . THR C 3 81  ? -11.128 10.661  2.748   1.00 38.85 ? 242 THR C CG2   1 
ATOM   1229 N N     . GLY C 3 82  ? -11.343 13.518  -1.134  1.00 32.06 ? 243 GLY C N     1 
ATOM   1230 C CA    . GLY C 3 82  ? -11.089 14.726  -1.891  1.00 33.15 ? 243 GLY C CA    1 
ATOM   1231 C C     . GLY C 3 82  ? -9.652  15.017  -2.266  1.00 32.12 ? 243 GLY C C     1 
ATOM   1232 O O     . GLY C 3 82  ? -9.380  16.112  -2.772  1.00 34.43 ? 243 GLY C O     1 
ATOM   1233 N N     . GLU C 3 83  ? -8.722  14.087  -2.034  1.00 34.77 ? 244 GLU C N     1 
ATOM   1234 C CA    . GLU C 3 83  ? -7.333  14.336  -2.414  1.00 27.69 ? 244 GLU C CA    1 
ATOM   1235 C C     . GLU C 3 83  ? -7.197  14.476  -3.926  1.00 31.75 ? 244 GLU C C     1 
ATOM   1236 O O     . GLU C 3 83  ? -6.535  15.396  -4.421  1.00 32.20 ? 244 GLU C O     1 
ATOM   1237 C CB    . GLU C 3 83  ? -6.429  13.215  -1.897  1.00 29.47 ? 244 GLU C CB    1 
ATOM   1238 C CG    . GLU C 3 83  ? -6.106  13.287  -0.414  1.00 29.08 ? 244 GLU C CG    1 
ATOM   1239 C CD    . GLU C 3 83  ? -7.103  12.519  0.428   1.00 27.84 ? 244 GLU C CD    1 
ATOM   1240 O OE1   . GLU C 3 83  ? -8.093  12.020  -0.143  1.00 32.83 ? 244 GLU C OE1   1 
ATOM   1241 O OE2   . GLU C 3 83  ? -6.894  12.405  1.654   1.00 33.86 ? 244 GLU C OE2   1 
ATOM   1242 N N     . ILE C 3 84  ? -7.822  13.571  -4.674  1.00 30.77 ? 245 ILE C N     1 
ATOM   1243 C CA    . ILE C 3 84  ? -7.787  13.580  -6.132  1.00 21.93 ? 245 ILE C CA    1 
ATOM   1244 C C     . ILE C 3 84  ? -9.175  13.224  -6.646  1.00 25.93 ? 245 ILE C C     1 
ATOM   1245 O O     . ILE C 3 84  ? -9.804  12.284  -6.150  1.00 30.19 ? 245 ILE C O     1 
ATOM   1246 C CB    . ILE C 3 84  ? -6.736  12.589  -6.679  1.00 30.46 ? 245 ILE C CB    1 
ATOM   1247 C CG1   . ILE C 3 84  ? -5.317  13.070  -6.372  1.00 33.38 ? 245 ILE C CG1   1 
ATOM   1248 C CG2   . ILE C 3 84  ? -6.901  12.389  -8.178  1.00 22.80 ? 245 ILE C CG2   1 
ATOM   1249 C CD1   . ILE C 3 84  ? -4.246  12.067  -6.752  1.00 24.75 ? 245 ILE C CD1   1 
ATOM   1250 N N     . ARG C 3 85  ? -9.655  13.968  -7.641  1.00 27.10 ? 246 ARG C N     1 
ATOM   1251 C CA    . ARG C 3 85  ? -10.852 13.572  -8.368  1.00 32.70 ? 246 ARG C CA    1 
ATOM   1252 C C     . ARG C 3 85  ? -10.515 13.287  -9.826  1.00 29.01 ? 246 ARG C C     1 
ATOM   1253 O O     . ARG C 3 85  ? -9.547  13.819  -10.378 1.00 31.25 ? 246 ARG C O     1 
ATOM   1254 C CB    . ARG C 3 85  ? -11.947 14.645  -8.295  1.00 29.09 ? 246 ARG C CB    1 
ATOM   1255 C CG    . ARG C 3 85  ? -11.671 15.893  -9.117  1.00 33.27 ? 246 ARG C CG    1 
ATOM   1256 C CD    . ARG C 3 85  ? -12.964 16.641  -9.407  1.00 30.08 ? 246 ARG C CD    1 
ATOM   1257 N NE    . ARG C 3 85  ? -12.726 17.944  -10.015 1.00 35.66 ? 246 ARG C NE    1 
ATOM   1258 C CZ    . ARG C 3 85  ? -13.644 18.644  -10.668 1.00 40.87 ? 246 ARG C CZ    1 
ATOM   1259 N NH1   . ARG C 3 85  ? -14.871 18.180  -10.843 1.00 39.90 ? 246 ARG C NH1   1 
ATOM   1260 N NH2   . ARG C 3 85  ? -13.322 19.836  -11.161 1.00 37.50 ? 246 ARG C NH2   1 
ATOM   1261 N N     . LYS C 3 86  ? -11.331 12.434  -10.438 1.00 30.70 ? 247 LYS C N     1 
ATOM   1262 C CA    . LYS C 3 86  ? -11.249 12.195  -11.871 1.00 32.92 ? 247 LYS C CA    1 
ATOM   1263 C C     . LYS C 3 86  ? -11.758 13.408  -12.639 1.00 38.86 ? 247 LYS C C     1 
ATOM   1264 O O     . LYS C 3 86  ? -12.797 13.980  -12.303 1.00 39.91 ? 247 LYS C O     1 
ATOM   1265 C CB    . LYS C 3 86  ? -12.066 10.958  -12.245 1.00 36.33 ? 247 LYS C CB    1 
ATOM   1266 C CG    . LYS C 3 86  ? -11.929 10.520  -13.693 1.00 34.19 ? 247 LYS C CG    1 
ATOM   1267 C CD    . LYS C 3 86  ? -10.500 10.140  -14.019 1.00 37.02 ? 247 LYS C CD    1 
ATOM   1268 C CE    . LYS C 3 86  ? -10.370 9.594   -15.425 1.00 38.39 ? 247 LYS C CE    1 
ATOM   1269 N NZ    . LYS C 3 86  ? -10.817 10.585  -16.442 1.00 40.92 ? 247 LYS C NZ    1 
ATOM   1270 N N     . VAL C 3 87  ? -11.028 13.802  -13.674 1.00 35.80 ? 248 VAL C N     1 
ATOM   1271 C CA    . VAL C 3 87  ? -11.502 14.848  -14.570 1.00 40.04 ? 248 VAL C CA    1 
ATOM   1272 C C     . VAL C 3 87  ? -12.162 14.177  -15.765 1.00 42.10 ? 248 VAL C C     1 
ATOM   1273 O O     . VAL C 3 87  ? -11.785 13.071  -16.169 1.00 38.44 ? 248 VAL C O     1 
ATOM   1274 C CB    . VAL C 3 87  ? -10.340 15.775  -14.995 1.00 41.29 ? 248 VAL C CB    1 
ATOM   1275 C CG1   . VAL C 3 87  ? -10.781 16.777  -16.053 1.00 31.08 ? 248 VAL C CG1   1 
ATOM   1276 C CG2   . VAL C 3 87  ? -9.791  16.511  -13.789 1.00 41.39 ? 248 VAL C CG2   1 
ATOM   1277 N N     . LYS C 3 88  ? -13.156 14.851  -16.341 1.00 44.81 ? 249 LYS C N     1 
ATOM   1278 C CA    . LYS C 3 88  ? -13.892 14.318  -17.482 1.00 54.10 ? 249 LYS C CA    1 
ATOM   1279 C C     . LYS C 3 88  ? -13.094 14.441  -18.777 1.00 48.14 ? 249 LYS C C     1 
ATOM   1280 O O     . LYS C 3 88  ? -13.570 14.988  -19.776 1.00 57.28 ? 249 LYS C O     1 
ATOM   1281 C CB    . LYS C 3 88  ? -15.270 14.974  -17.553 1.00 58.58 ? 249 LYS C CB    1 
ATOM   1282 C CG    . LYS C 3 88  ? -16.073 14.598  -16.310 1.00 57.92 ? 249 LYS C CG    1 
ATOM   1283 C CD    . LYS C 3 88  ? -17.216 15.524  -15.986 1.00 74.29 ? 249 LYS C CD    1 
ATOM   1284 C CE    . LYS C 3 88  ? -17.886 15.054  -14.698 1.00 80.52 ? 249 LYS C CE    1 
ATOM   1285 N NZ    . LYS C 3 88  ? -19.181 15.727  -14.417 1.00 62.57 ? 249 LYS C NZ    1 
ATOM   1286 N N     . ARG C 3 89  ? -11.870 13.918  -18.747 1.00 44.67 ? 250 ARG C N     1 
ATOM   1287 C CA    . ARG C 3 89  ? -10.941 13.904  -19.865 1.00 47.84 ? 250 ARG C CA    1 
ATOM   1288 C C     . ARG C 3 89  ? -10.095 12.649  -19.706 1.00 41.09 ? 250 ARG C C     1 
ATOM   1289 O O     . ARG C 3 89  ? -9.835  12.208  -18.584 1.00 46.12 ? 250 ARG C O     1 
ATOM   1290 C CB    . ARG C 3 89  ? -10.076 15.176  -19.904 1.00 42.04 ? 250 ARG C CB    1 
ATOM   1291 C CG    . ARG C 3 89  ? -8.868  15.128  -20.839 1.00 55.24 ? 250 ARG C CG    1 
ATOM   1292 C CD    . ARG C 3 89  ? -9.014  16.046  -22.043 1.00 66.38 ? 250 ARG C CD    1 
ATOM   1293 N NE    . ARG C 3 89  ? -7.783  16.092  -22.825 1.00 61.58 ? 250 ARG C NE    1 
ATOM   1294 C CZ    . ARG C 3 89  ? -7.464  15.222  -23.773 1.00 66.38 ? 250 ARG C CZ    1 
ATOM   1295 N NH1   . ARG C 3 89  ? -8.267  14.219  -24.089 1.00 71.32 ? 250 ARG C NH1   1 
ATOM   1296 N NH2   . ARG C 3 89  ? -6.308  15.358  -24.417 1.00 63.21 ? 250 ARG C NH2   1 
ATOM   1297 N N     . LYS C 3 90  ? -9.697  12.059  -20.834 1.00 45.88 ? 251 LYS C N     1 
ATOM   1298 C CA    . LYS C 3 90  ? -9.017  10.766  -20.813 1.00 45.32 ? 251 LYS C CA    1 
ATOM   1299 C C     . LYS C 3 90  ? -7.800  10.775  -19.894 1.00 33.88 ? 251 LYS C C     1 
ATOM   1300 O O     . LYS C 3 90  ? -6.939  11.654  -19.985 1.00 37.45 ? 251 LYS C O     1 
ATOM   1301 C CB    . LYS C 3 90  ? -8.605  10.369  -22.233 1.00 42.88 ? 251 LYS C CB    1 
ATOM   1302 C CG    . LYS C 3 90  ? -7.816  9.066   -22.313 1.00 47.23 ? 251 LYS C CG    1 
ATOM   1303 C CD    . LYS C 3 90  ? -7.643  8.605   -23.752 1.00 54.67 ? 251 LYS C CD    1 
ATOM   1304 C CE    . LYS C 3 90  ? -6.880  9.622   -24.579 1.00 49.57 ? 251 LYS C CE    1 
ATOM   1305 N NZ    . LYS C 3 90  ? -6.830  9.218   -26.010 1.00 72.29 ? 251 LYS C NZ    1 
ATOM   1306 N N     . LEU C 3 91  ? -7.747  9.780   -19.002 1.00 39.22 ? 252 LEU C N     1 
ATOM   1307 C CA    . LEU C 3 91  ? -6.636  9.570   -18.066 1.00 38.68 ? 252 LEU C CA    1 
ATOM   1308 C C     . LEU C 3 91  ? -6.261  10.834  -17.292 1.00 33.11 ? 252 LEU C C     1 
ATOM   1309 O O     . LEU C 3 91  ? -5.109  11.007  -16.886 1.00 37.66 ? 252 LEU C O     1 
ATOM   1310 C CB    . LEU C 3 91  ? -5.409  9.016   -18.793 1.00 38.57 ? 252 LEU C CB    1 
ATOM   1311 C CG    . LEU C 3 91  ? -5.648  7.771   -19.646 1.00 49.49 ? 252 LEU C CG    1 
ATOM   1312 C CD1   . LEU C 3 91  ? -4.443  7.489   -20.523 1.00 43.52 ? 252 LEU C CD1   1 
ATOM   1313 C CD2   . LEU C 3 91  ? -5.965  6.577   -18.762 1.00 48.26 ? 252 LEU C CD2   1 
ATOM   1314 N N     . THR C 3 92  ? -7.222  11.725  -17.069 1.00 32.58 ? 253 THR C N     1 
ATOM   1315 C CA    . THR C 3 92  ? -6.953  13.029  -16.479 1.00 34.73 ? 253 THR C CA    1 
ATOM   1316 C C     . THR C 3 92  ? -7.544  13.116  -15.077 1.00 34.49 ? 253 THR C C     1 
ATOM   1317 O O     . THR C 3 92  ? -8.665  12.657  -14.836 1.00 38.01 ? 253 THR C O     1 
ATOM   1318 C CB    . THR C 3 92  ? -7.515  14.146  -17.362 1.00 32.36 ? 253 THR C CB    1 
ATOM   1319 O OG1   . THR C 3 92  ? -6.989  14.007  -18.688 1.00 46.33 ? 253 THR C OG1   1 
ATOM   1320 C CG2   . THR C 3 92  ? -7.127  15.509  -16.819 1.00 28.97 ? 253 THR C CG2   1 
ATOM   1321 N N     . TYR C 3 93  ? -6.787  13.716  -14.158 1.00 33.18 ? 254 TYR C N     1 
ATOM   1322 C CA    . TYR C 3 93  ? -7.181  13.843  -12.762 1.00 27.72 ? 254 TYR C CA    1 
ATOM   1323 C C     . TYR C 3 93  ? -6.826  15.241  -12.273 1.00 31.06 ? 254 TYR C C     1 
ATOM   1324 O O     . TYR C 3 93  ? -6.175  16.021  -12.974 1.00 35.17 ? 254 TYR C O     1 
ATOM   1325 C CB    . TYR C 3 93  ? -6.497  12.789  -11.881 1.00 27.95 ? 254 TYR C CB    1 
ATOM   1326 C CG    . TYR C 3 93  ? -6.889  11.356  -12.165 1.00 26.99 ? 254 TYR C CG    1 
ATOM   1327 C CD1   . TYR C 3 93  ? -6.265  10.634  -13.173 1.00 28.07 ? 254 TYR C CD1   1 
ATOM   1328 C CD2   . TYR C 3 93  ? -7.852  10.713  -11.398 1.00 34.61 ? 254 TYR C CD2   1 
ATOM   1329 C CE1   . TYR C 3 93  ? -6.607  9.321   -13.428 1.00 33.91 ? 254 TYR C CE1   1 
ATOM   1330 C CE2   . TYR C 3 93  ? -8.198  9.395   -11.643 1.00 28.25 ? 254 TYR C CE2   1 
ATOM   1331 C CZ    . TYR C 3 93  ? -7.573  8.706   -12.662 1.00 34.98 ? 254 TYR C CZ    1 
ATOM   1332 O OH    . TYR C 3 93  ? -7.912  7.398   -12.919 1.00 42.67 ? 254 TYR C OH    1 
ATOM   1333 N N     . GLN C 3 94  ? -7.263  15.560  -11.054 1.00 35.94 ? 255 GLN C N     1 
ATOM   1334 C CA    . GLN C 3 94  ? -7.036  16.881  -10.475 1.00 35.77 ? 255 GLN C CA    1 
ATOM   1335 C C     . GLN C 3 94  ? -6.758  16.750  -8.986  1.00 33.62 ? 255 GLN C C     1 
ATOM   1336 O O     . GLN C 3 94  ? -7.593  16.228  -8.241  1.00 34.27 ? 255 GLN C O     1 
ATOM   1337 C CB    . GLN C 3 94  ? -8.234  17.807  -10.707 1.00 31.23 ? 255 GLN C CB    1 
ATOM   1338 C CG    . GLN C 3 94  ? -8.025  19.219  -10.179 1.00 28.85 ? 255 GLN C CG    1 
ATOM   1339 C CD    . GLN C 3 94  ? -9.181  20.142  -10.505 1.00 30.16 ? 255 GLN C CD    1 
ATOM   1340 O OE1   . GLN C 3 94  ? -10.286 19.690  -10.806 1.00 37.68 ? 255 GLN C OE1   1 
ATOM   1341 N NE2   . GLN C 3 94  ? -8.931  21.445  -10.452 1.00 30.80 ? 255 GLN C NE2   1 
ATOM   1342 N N     . PHE C 3 95  ? -5.592  17.226  -8.558  1.00 30.94 ? 256 PHE C N     1 
ATOM   1343 C CA    . PHE C 3 95  ? -5.313  17.373  -7.138  1.00 31.18 ? 256 PHE C CA    1 
ATOM   1344 C C     . PHE C 3 95  ? -6.189  18.463  -6.536  1.00 33.62 ? 256 PHE C C     1 
ATOM   1345 O O     . PHE C 3 95  ? -6.523  19.455  -7.190  1.00 32.00 ? 256 PHE C O     1 
ATOM   1346 C CB    . PHE C 3 95  ? -3.846  17.735  -6.902  1.00 27.42 ? 256 PHE C CB    1 
ATOM   1347 C CG    . PHE C 3 95  ? -2.881  16.629  -7.201  1.00 29.61 ? 256 PHE C CG    1 
ATOM   1348 C CD1   . PHE C 3 95  ? -2.737  15.564  -6.328  1.00 33.83 ? 256 PHE C CD1   1 
ATOM   1349 C CD2   . PHE C 3 95  ? -2.094  16.667  -8.338  1.00 27.80 ? 256 PHE C CD2   1 
ATOM   1350 C CE1   . PHE C 3 95  ? -1.838  14.550  -6.591  1.00 28.78 ? 256 PHE C CE1   1 
ATOM   1351 C CE2   . PHE C 3 95  ? -1.193  15.656  -8.605  1.00 24.84 ? 256 PHE C CE2   1 
ATOM   1352 C CZ    . PHE C 3 95  ? -1.067  14.595  -7.733  1.00 26.32 ? 256 PHE C CZ    1 
ATOM   1353 N N     . ASP C 3 96  ? -6.565  18.273  -5.274  1.00 31.33 ? 257 ASP C N     1 
ATOM   1354 C CA    . ASP C 3 96  ? -7.200  19.353  -4.535  1.00 31.79 ? 257 ASP C CA    1 
ATOM   1355 C C     . ASP C 3 96  ? -6.218  20.509  -4.370  1.00 33.38 ? 257 ASP C C     1 
ATOM   1356 O O     . ASP C 3 96  ? -5.000  20.317  -4.333  1.00 28.78 ? 257 ASP C O     1 
ATOM   1357 C CB    . ASP C 3 96  ? -7.677  18.860  -3.169  1.00 29.39 ? 257 ASP C CB    1 
ATOM   1358 C CG    . ASP C 3 96  ? -8.506  19.893  -2.435  1.00 35.34 ? 257 ASP C CG    1 
ATOM   1359 O OD1   . ASP C 3 96  ? -9.681  20.089  -2.806  1.00 37.01 ? 257 ASP C OD1   1 
ATOM   1360 O OD2   . ASP C 3 96  ? -7.981  20.513  -1.487  1.00 37.25 ? 257 ASP C OD2   1 
ATOM   1361 N N     . SER C 3 97  ? -6.760  21.727  -4.274  1.00 34.24 ? 258 SER C N     1 
ATOM   1362 C CA    . SER C 3 97  ? -5.906  22.906  -4.165  1.00 38.64 ? 258 SER C CA    1 
ATOM   1363 C C     . SER C 3 97  ? -5.088  22.920  -2.880  1.00 38.15 ? 258 SER C C     1 
ATOM   1364 O O     . SER C 3 97  ? -4.035  23.565  -2.838  1.00 44.25 ? 258 SER C O     1 
ATOM   1365 C CB    . SER C 3 97  ? -6.746  24.181  -4.255  1.00 39.09 ? 258 SER C CB    1 
ATOM   1366 O OG    . SER C 3 97  ? -7.593  24.319  -3.127  1.00 43.68 ? 258 SER C OG    1 
ATOM   1367 N N     . ALA C 3 98  ? -5.541  22.222  -1.836  1.00 36.43 ? 259 ALA C N     1 
ATOM   1368 C CA    . ALA C 3 98  ? -4.787  22.171  -0.589  1.00 34.28 ? 259 ALA C CA    1 
ATOM   1369 C C     . ALA C 3 98  ? -3.425  21.509  -0.749  1.00 39.82 ? 259 ALA C C     1 
ATOM   1370 O O     . ALA C 3 98  ? -2.569  21.662  0.130   1.00 43.27 ? 259 ALA C O     1 
ATOM   1371 C CB    . ALA C 3 98  ? -5.593  21.434  0.480   1.00 35.75 ? 259 ALA C CB    1 
ATOM   1372 N N     . LEU C 3 99  ? -3.204  20.774  -1.837  1.00 36.70 ? 260 LEU C N     1 
ATOM   1373 C CA    . LEU C 3 99  ? -1.936  20.104  -2.087  1.00 39.36 ? 260 LEU C CA    1 
ATOM   1374 C C     . LEU C 3 99  ? -1.061  20.850  -3.088  1.00 36.61 ? 260 LEU C C     1 
ATOM   1375 O O     . LEU C 3 99  ? -0.090  20.278  -3.595  1.00 35.19 ? 260 LEU C O     1 
ATOM   1376 C CB    . LEU C 3 99  ? -2.190  18.678  -2.576  1.00 34.10 ? 260 LEU C CB    1 
ATOM   1377 C CG    . LEU C 3 99  ? -2.872  17.734  -1.585  1.00 32.01 ? 260 LEU C CG    1 
ATOM   1378 C CD1   . LEU C 3 99  ? -3.127  16.388  -2.237  1.00 32.72 ? 260 LEU C CD1   1 
ATOM   1379 C CD2   . LEU C 3 99  ? -2.033  17.572  -0.328  1.00 29.85 ? 260 LEU C CD2   1 
ATOM   1380 N N     . LEU C 3 100 ? -1.376  22.103  -3.382  1.00 39.07 ? 261 LEU C N     1 
ATOM   1381 C CA    . LEU C 3 100 ? -0.694  22.876  -4.406  1.00 40.07 ? 261 LEU C CA    1 
ATOM   1382 C C     . LEU C 3 100 ? -0.212  24.195  -3.827  1.00 42.06 ? 261 LEU C C     1 
ATOM   1383 O O     . LEU C 3 100 ? -0.753  24.680  -2.827  1.00 48.12 ? 261 LEU C O     1 
ATOM   1384 C CB    . LEU C 3 100 ? -1.631  23.152  -5.592  1.00 39.34 ? 261 LEU C CB    1 
ATOM   1385 C CG    . LEU C 3 100 ? -2.301  21.951  -6.252  1.00 40.83 ? 261 LEU C CG    1 
ATOM   1386 C CD1   . LEU C 3 100 ? -3.443  22.432  -7.122  1.00 33.47 ? 261 LEU C CD1   1 
ATOM   1387 C CD2   . LEU C 3 100 ? -1.296  21.156  -7.072  1.00 38.52 ? 261 LEU C CD2   1 
ATOM   1388 N N     . PRO C 3 101 ? 0.814   24.804  -4.434  1.00 55.76 ? 262 PRO C N     1 
ATOM   1389 C CA    . PRO C 3 101 ? 1.236   26.148  -4.010  1.00 55.64 ? 262 PRO C CA    1 
ATOM   1390 C C     . PRO C 3 101 ? 0.185   27.213  -4.295  1.00 62.87 ? 262 PRO C C     1 
ATOM   1391 O O     . PRO C 3 101 ? -0.957  26.897  -4.642  1.00 68.29 ? 262 PRO C O     1 
ATOM   1392 C CB    . PRO C 3 101 ? 2.514   26.387  -4.825  1.00 55.64 ? 262 PRO C CB    1 
ATOM   1393 C CG    . PRO C 3 101 ? 2.393   25.468  -6.000  1.00 59.22 ? 262 PRO C CG    1 
ATOM   1394 C CD    . PRO C 3 101 ? 1.691   24.254  -5.481  1.00 54.70 ? 262 PRO C CD    1 
ATOM   1395 N N     . ALA C 3 102 ? 0.564   28.481  -4.166  1.00 56.70 ? 263 ALA C N     1 
ATOM   1396 C CA    . ALA C 3 102 ? -0.365  29.582  -4.403  1.00 60.23 ? 263 ALA C CA    1 
ATOM   1397 C C     . ALA C 3 102 ? -0.528  29.841  -5.898  1.00 65.16 ? 263 ALA C C     1 
ATOM   1398 O O     . ALA C 3 102 ? 0.427   29.721  -6.667  1.00 77.17 ? 263 ALA C O     1 
ATOM   1399 C CB    . ALA C 3 102 ? 0.106   30.842  -3.693  1.00 58.62 ? 263 ALA C CB    1 
HETATM 1400 O "O5'" . 3D1 D 4 .   ? -16.888 -0.503  -41.734 1.00 58.99 ? 101 3D1 A "O5'" 1 
HETATM 1401 C "C5'" . 3D1 D 4 .   ? -17.543 -1.238  -40.710 1.00 60.39 ? 101 3D1 A "C5'" 1 
HETATM 1402 C "C4'" . 3D1 D 4 .   ? -16.623 -2.284  -40.126 1.00 58.51 ? 101 3D1 A "C4'" 1 
HETATM 1403 O "O4'" . 3D1 D 4 .   ? -15.478 -1.628  -39.542 1.00 57.39 ? 101 3D1 A "O4'" 1 
HETATM 1404 C "C1'" . 3D1 D 4 .   ? -15.618 -1.611  -38.121 1.00 53.84 ? 101 3D1 A "C1'" 1 
HETATM 1405 N N9    . 3D1 D 4 .   ? -15.332 -0.255  -37.650 1.00 56.92 ? 101 3D1 A N9    1 
HETATM 1406 C C4    . 3D1 D 4 .   ? -16.180 0.831   -37.569 1.00 52.77 ? 101 3D1 A C4    1 
HETATM 1407 N N3    . 3D1 D 4 .   ? -17.482 0.891   -37.894 1.00 53.93 ? 101 3D1 A N3    1 
HETATM 1408 C C2    . 3D1 D 4 .   ? -17.977 2.105   -37.676 1.00 52.05 ? 101 3D1 A C2    1 
HETATM 1409 N N1    . 3D1 D 4 .   ? -17.363 3.198   -37.208 1.00 56.23 ? 101 3D1 A N1    1 
HETATM 1410 C C6    . 3D1 D 4 .   ? -16.050 3.114   -36.890 1.00 59.00 ? 101 3D1 A C6    1 
HETATM 1411 N N6    . 3D1 D 4 .   ? -15.435 4.197   -36.424 1.00 63.60 ? 101 3D1 A N6    1 
HETATM 1412 C C5    . 3D1 D 4 .   ? -15.414 1.871   -37.075 1.00 56.33 ? 101 3D1 A C5    1 
HETATM 1413 N N7    . 3D1 D 4 .   ? -14.111 1.451   -36.854 1.00 54.00 ? 101 3D1 A N7    1 
HETATM 1414 C C8    . 3D1 D 4 .   ? -14.110 0.191   -37.209 1.00 58.16 ? 101 3D1 A C8    1 
HETATM 1415 C "C2'" . 3D1 D 4 .   ? -17.018 -2.129  -37.826 1.00 51.70 ? 101 3D1 A "C2'" 1 
HETATM 1416 C "C3'" . 3D1 D 4 .   ? -17.227 -3.094  -38.987 1.00 58.30 ? 101 3D1 A "C3'" 1 
HETATM 1417 O "O3'" . 3D1 D 4 .   ? -16.440 -4.269  -38.831 1.00 59.71 ? 101 3D1 A "O3'" 1 
HETATM 1418 O "O5'" . THM E 5 .   ? -8.775  -1.982  18.545  1.00 78.13 ? 101 THM B "O5'" 1 
HETATM 1419 C "C5'" . THM E 5 .   ? -9.770  -2.472  17.658  1.00 72.20 ? 101 THM B "C5'" 1 
HETATM 1420 C "C4'" . THM E 5 .   ? -9.665  -1.812  16.303  1.00 67.24 ? 101 THM B "C4'" 1 
HETATM 1421 O "O4'" . THM E 5 .   ? -8.311  -1.959  15.811  1.00 68.12 ? 101 THM B "O4'" 1 
HETATM 1422 C "C3'" . THM E 5 .   ? -10.557 -2.442  15.231  1.00 73.70 ? 101 THM B "C3'" 1 
HETATM 1423 O "O3'" . THM E 5 .   ? -10.791 -1.524  14.171  1.00 70.53 ? 101 THM B "O3'" 1 
HETATM 1424 C "C2'" . THM E 5 .   ? -9.609  -3.474  14.644  1.00 67.20 ? 101 THM B "C2'" 1 
HETATM 1425 C "C1'" . THM E 5 .   ? -8.362  -2.613  14.551  1.00 59.84 ? 101 THM B "C1'" 1 
HETATM 1426 N N1    . THM E 5 .   ? -7.100  -3.356  14.355  1.00 59.37 ? 101 THM B N1    1 
HETATM 1427 C C2    . THM E 5 .   ? -5.947  -2.632  14.135  1.00 59.67 ? 101 THM B C2    1 
HETATM 1428 O O2    . THM E 5 .   ? -5.922  -1.408  14.126  1.00 62.91 ? 101 THM B O2    1 
HETATM 1429 N N3    . THM E 5 .   ? -4.818  -3.390  13.946  1.00 57.36 ? 101 THM B N3    1 
HETATM 1430 C C4    . THM E 5 .   ? -4.733  -4.770  13.941  1.00 65.75 ? 101 THM B C4    1 
HETATM 1431 O O4    . THM E 5 .   ? -3.641  -5.317  13.755  1.00 62.93 ? 101 THM B O4    1 
HETATM 1432 C C5    . THM E 5 .   ? -5.981  -5.466  14.162  1.00 64.57 ? 101 THM B C5    1 
HETATM 1433 C C5M   . THM E 5 .   ? -5.977  -6.966  14.172  1.00 62.37 ? 101 THM B C5M   1 
HETATM 1434 C C6    . THM E 5 .   ? -7.092  -4.736  14.353  1.00 56.58 ? 101 THM B C6    1 
HETATM 1435 O O     . HOH F 6 .   ? -6.989  -2.696  -22.645 1.00 50.41 ? 201 HOH A O     1 
HETATM 1436 O O     . HOH F 6 .   ? -16.962 8.117   -16.273 1.00 52.36 ? 202 HOH A O     1 
HETATM 1437 O O     . HOH F 6 .   ? -12.002 -3.318  4.357   1.00 49.20 ? 203 HOH A O     1 
HETATM 1438 O O     . HOH F 6 .   ? -6.417  1.480   -19.408 1.00 35.74 ? 204 HOH A O     1 
HETATM 1439 O O     . HOH F 6 .   ? -14.884 3.669   -7.861  1.00 49.55 ? 205 HOH A O     1 
HETATM 1440 O O     . HOH F 6 .   ? -12.903 -4.931  -23.148 1.00 50.81 ? 206 HOH A O     1 
HETATM 1441 O O     . HOH F 6 .   ? -13.875 8.574   -10.584 1.00 47.74 ? 207 HOH A O     1 
HETATM 1442 O O     . HOH F 6 .   ? -2.687  -2.806  0.932   1.00 30.37 ? 208 HOH A O     1 
HETATM 1443 O O     . HOH F 6 .   ? -13.646 -6.934  -40.712 1.00 43.15 ? 209 HOH A O     1 
HETATM 1444 O O     . HOH G 6 .   ? -10.528 6.051   11.455  1.00 33.84 ? 201 HOH B O     1 
HETATM 1445 O O     . HOH G 6 .   ? 1.179   -4.205  -6.965  1.00 35.77 ? 202 HOH B O     1 
HETATM 1446 O O     . HOH G 6 .   ? -14.816 -5.634  -21.558 1.00 41.16 ? 203 HOH B O     1 
HETATM 1447 O O     . HOH G 6 .   ? -14.992 -10.931 -15.899 1.00 59.26 ? 204 HOH B O     1 
HETATM 1448 O O     . HOH G 6 .   ? -23.271 -2.037  -24.398 1.00 43.26 ? 205 HOH B O     1 
HETATM 1449 O O     . HOH G 6 .   ? -8.530  5.176   3.932   1.00 33.54 ? 206 HOH B O     1 
HETATM 1450 O O     . HOH G 6 .   ? -4.218  -0.471  -5.886  1.00 30.10 ? 207 HOH B O     1 
HETATM 1451 O O     . HOH G 6 .   ? -11.148 -0.266  -2.559  1.00 34.48 ? 208 HOH B O     1 
HETATM 1452 O O     . HOH G 6 .   ? -8.406  -3.112  -9.989  1.00 33.43 ? 209 HOH B O     1 
HETATM 1453 O O     . HOH G 6 .   ? -2.099  0.748   2.615   1.00 42.98 ? 210 HOH B O     1 
HETATM 1454 O O     . HOH H 6 .   ? 1.148   1.799   -20.836 1.00 44.24 ? 301 HOH C O     1 
HETATM 1455 O O     . HOH H 6 .   ? -4.028  -1.305  -16.096 1.00 43.59 ? 302 HOH C O     1 
HETATM 1456 O O     . HOH H 6 .   ? 1.771   -3.815  0.114   1.00 44.61 ? 303 HOH C O     1 
HETATM 1457 O O     . HOH H 6 .   ? 2.864   8.897   3.604   1.00 26.99 ? 304 HOH C O     1 
HETATM 1458 O O     . HOH H 6 .   ? -0.809  15.246  2.660   1.00 34.29 ? 305 HOH C O     1 
HETATM 1459 O O     . HOH H 6 .   ? 8.447   -0.059  15.694  1.00 53.42 ? 306 HOH C O     1 
HETATM 1460 O O     . HOH H 6 .   ? -10.469 1.685   -13.738 1.00 34.24 ? 307 HOH C O     1 
HETATM 1461 O O     . HOH H 6 .   ? 4.587   -3.385  -9.488  1.00 38.69 ? 308 HOH C O     1 
HETATM 1462 O O     . HOH H 6 .   ? -10.340 8.049   0.651   1.00 31.15 ? 309 HOH C O     1 
HETATM 1463 O O     . HOH H 6 .   ? 4.389   11.526  4.832   1.00 40.40 ? 310 HOH C O     1 
HETATM 1464 O O     . HOH H 6 .   ? -0.013  3.546   0.219   1.00 28.01 ? 311 HOH C O     1 
HETATM 1465 O O     . HOH H 6 .   ? -9.396  15.154  3.158   1.00 34.24 ? 312 HOH C O     1 
HETATM 1466 O O     . HOH H 6 .   ? 4.700   -4.736  -7.094  1.00 38.70 ? 313 HOH C O     1 
HETATM 1467 O O     . HOH H 6 .   ? -2.483  -8.277  -10.110 1.00 48.73 ? 314 HOH C O     1 
HETATM 1468 O O     . HOH H 6 .   ? -6.972  22.233  -7.703  1.00 40.22 ? 315 HOH C O     1 
HETATM 1469 O O     . HOH H 6 .   ? -4.849  13.849  3.079   1.00 42.89 ? 316 HOH C O     1 
HETATM 1470 O O     . HOH H 6 .   ? -7.358  10.698  3.931   1.00 31.62 ? 317 HOH C O     1 
HETATM 1471 O O     . HOH H 6 .   ? 2.477   -10.333 -10.544 1.00 45.14 ? 318 HOH C O     1 
HETATM 1472 O O     . HOH H 6 .   ? 8.983   8.070   -5.124  1.00 39.02 ? 319 HOH C O     1 
HETATM 1473 O O     . HOH H 6 .   ? 6.282   14.445  -14.243 1.00 37.40 ? 320 HOH C O     1 
HETATM 1474 O O     . HOH H 6 .   ? -12.971 10.543  -8.935  1.00 32.41 ? 321 HOH C O     1 
HETATM 1475 O O     . HOH H 6 .   ? -9.599  22.568  -0.091  1.00 35.26 ? 322 HOH C O     1 
HETATM 1476 O O     . HOH H 6 .   ? -5.260  -5.325  -13.582 1.00 45.83 ? 323 HOH C O     1 
HETATM 1477 O O     . HOH H 6 .   ? 6.073   16.960  -14.413 1.00 33.07 ? 324 HOH C O     1 
HETATM 1478 O O     . HOH H 6 .   ? -1.258  -0.735  1.128   1.00 30.43 ? 325 HOH C O     1 
HETATM 1479 O O     . HOH H 6 .   ? 7.715   -8.182  -18.273 1.00 57.61 ? 326 HOH C O     1 
HETATM 1480 O O     . HOH H 6 .   ? 0.987   9.138   -25.190 1.00 44.85 ? 327 HOH C O     1 
HETATM 1481 O O     . HOH H 6 .   ? 6.220   4.840   14.314  1.00 50.90 ? 328 HOH C O     1 
HETATM 1482 O O     . HOH H 6 .   ? 1.467   12.637  5.991   1.00 35.61 ? 329 HOH C O     1 
HETATM 1483 O O     . HOH H 6 .   ? 0.527   -7.004  -0.910  1.00 47.91 ? 330 HOH C O     1 
HETATM 1484 O O     . HOH H 6 .   ? -14.827 17.936  -15.004 1.00 42.93 ? 331 HOH C O     1 
HETATM 1485 O O     . HOH H 6 .   ? -8.144  4.208   0.024   1.00 35.02 ? 332 HOH C O     1 
HETATM 1486 O O     . HOH H 6 .   ? -0.391  2.338   2.701   1.00 37.03 ? 333 HOH C O     1 
HETATM 1487 O O     . HOH H 6 .   ? -8.217  6.602   0.932   1.00 36.08 ? 334 HOH C O     1 
HETATM 1488 O O     . HOH H 6 .   ? 1.156   8.805   5.862   1.00 38.77 ? 335 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   ? 0.8001 0.8021 0.4337 0.2328  -0.0929 -0.2764 2   DT  A P     
2    O OP1   . DT  A 1   ? 0.8129 0.8431 0.4775 0.2716  -0.1227 -0.3008 2   DT  A OP1   
3    O OP2   . DT  A 1   ? 0.8365 0.7701 0.4727 0.2225  -0.1051 -0.2666 2   DT  A OP2   
4    O "O5'" . DT  A 1   ? 0.8687 0.8917 0.5218 0.2003  -0.0748 -0.2629 2   DT  A "O5'" 
5    C "C5'" . DT  A 1   ? 0.8151 0.9060 0.4604 0.1997  -0.0548 -0.2670 2   DT  A "C5'" 
6    C "C4'" . DT  A 1   ? 0.8415 0.9382 0.5099 0.1601  -0.0362 -0.2447 2   DT  A "C4'" 
7    O "O4'" . DT  A 1   ? 0.8198 0.9087 0.4551 0.1236  -0.0034 -0.2138 2   DT  A "O4'" 
8    C "C3'" . DT  A 1   ? 0.8087 0.8543 0.5220 0.1477  -0.0576 -0.2380 2   DT  A "C3'" 
9    O "O3'" . DT  A 1   ? 0.9054 0.9785 0.6533 0.1414  -0.0608 -0.2418 2   DT  A "O3'" 
10   C "C2'" . DT  A 1   ? 0.8529 0.8599 0.5486 0.1109  -0.0354 -0.2062 2   DT  A "C2'" 
11   C "C1'" . DT  A 1   ? 0.8066 0.8544 0.4639 0.0927  -0.0014 -0.1937 2   DT  A "C1'" 
12   N N1    . DT  A 1   ? 0.8259 0.8385 0.4469 0.0664  0.0171  -0.1684 2   DT  A N1    
13   C C2    . DT  A 1   ? 0.8663 0.8985 0.4669 0.0349  0.0433  -0.1465 2   DT  A C2    
14   O O2    . DT  A 1   ? 0.8507 0.9321 0.4630 0.0262  0.0549  -0.1456 2   DT  A O2    
15   N N3    . DT  A 1   ? 0.8174 0.8081 0.3845 0.0139  0.0526  -0.1256 2   DT  A N3    
16   C C4    . DT  A 1   ? 0.8860 0.8225 0.4377 0.0226  0.0407  -0.1259 2   DT  A C4    
17   O O4    . DT  A 1   ? 0.9129 0.8136 0.4328 0.0042  0.0477  -0.1085 2   DT  A O4    
18   C C5    . DT  A 1   ? 0.8231 0.7464 0.3999 0.0549  0.0159  -0.1484 2   DT  A C5    
19   C C7    . DT  A 1   ? 0.8661 0.7353 0.4329 0.0662  0.0006  -0.1502 2   DT  A C7    
20   C C6    . DT  A 1   ? 0.7631 0.7226 0.3733 0.0744  0.0041  -0.1677 2   DT  A C6    
21   P P     . DG  A 2   ? 0.7780 0.8271 0.5793 0.1571  -0.1018 -0.2561 3   DG  A P     
22   O OP1   . DG  A 2   ? 0.8731 0.9351 0.6765 0.2025  -0.1337 -0.2907 3   DG  A OP1   
23   O OP2   . DG  A 2   ? 0.7338 0.7270 0.5541 0.1362  -0.1093 -0.2330 3   DG  A OP2   
24   O "O5'" . DG  A 2   ? 0.9414 1.0273 0.7670 0.1420  -0.0930 -0.2546 3   DG  A "O5'" 
25   C "C5'" . DG  A 2   ? 0.8714 1.0221 0.6822 0.1526  -0.0776 -0.2699 3   DG  A "C5'" 
26   C "C4'" . DG  A 2   ? 0.7853 0.9609 0.5895 0.1147  -0.0418 -0.2461 3   DG  A "C4'" 
27   O "O4'" . DG  A 2   ? 0.7965 0.9466 0.5670 0.0875  -0.0158 -0.2188 3   DG  A "O4'" 
28   C "C3'" . DG  A 2   ? 0.8096 0.9648 0.6516 0.0929  -0.0483 -0.2345 3   DG  A "C3'" 
29   O "O3'" . DG  A 2   ? 0.8535 1.0573 0.6978 0.0782  -0.0277 -0.2326 3   DG  A "O3'" 
30   C "C2'" . DG  A 2   ? 0.7545 0.8589 0.5856 0.0634  -0.0352 -0.2042 3   DG  A "C2'" 
31   C "C1'" . DG  A 2   ? 0.7807 0.9012 0.5649 0.0542  -0.0065 -0.1949 3   DG  A "C1'" 
32   N N9    . DG  A 2   ? 0.8198 0.8905 0.5807 0.0395  0.0003  -0.1750 3   DG  A N9    
33   C C8    . DG  A 2   ? 0.7871 0.8092 0.5588 0.0483  -0.0200 -0.1736 3   DG  A C8    
34   N N7    . DG  A 2   ? 0.7218 0.7098 0.4663 0.0334  -0.0082 -0.1560 3   DG  A N7    
35   C C5    . DG  A 2   ? 0.8008 0.8109 0.5142 0.0122  0.0190  -0.1439 3   DG  A C5    
36   C C6    . DG  A 2   ? 0.7720 0.7577 0.4477 -0.0099 0.0364  -0.1237 3   DG  A C6    
37   O O6    . DG  A 2   ? 0.7726 0.7130 0.4322 -0.0125 0.0326  -0.1150 3   DG  A O6    
38   N N1    . DG  A 2   ? 0.7657 0.7857 0.4233 -0.0303 0.0574  -0.1132 3   DG  A N1    
39   C C2    . DG  A 2   ? 0.8263 0.9036 0.5009 -0.0285 0.0639  -0.1217 3   DG  A C2    
40   N N2    . DG  A 2   ? 0.8245 0.9329 0.4818 -0.0527 0.0842  -0.1058 3   DG  A N2    
41   N N3    . DG  A 2   ? 0.8405 0.9430 0.5482 -0.0048 0.0488  -0.1439 3   DG  A N3    
42   C C4    . DG  A 2   ? 0.8027 0.8661 0.5277 0.0143  0.0255  -0.1537 3   DG  A C4    
43   P P     . DA  A 3   ? 0.9362 1.1402 0.8204 0.0668  -0.0378 -0.2320 4   DA  A P     
44   O OP1   . DA  A 3   ? 1.0314 1.2643 0.9399 0.1009  -0.0667 -0.2648 4   DA  A OP1   
45   O OP2   . DA  A 3   ? 0.7913 0.9375 0.6906 0.0469  -0.0447 -0.2094 4   DA  A OP2   
46   O "O5'" . DA  A 3   ? 0.9055 1.1519 0.7767 0.0384  -0.0031 -0.2176 4   DA  A "O5'" 
47   C "C5'" . DA  A 3   ? 0.8330 1.1266 0.6720 0.0370  0.0214  -0.2159 4   DA  A "C5'" 
48   C "C4'" . DA  A 3   ? 0.8762 1.1641 0.6956 -0.0036 0.0508  -0.1844 4   DA  A "C4'" 
49   O "O4'" . DA  A 3   ? 0.8786 1.1082 0.6731 -0.0147 0.0531  -0.1660 4   DA  A "O4'" 
50   C "C3'" . DA  A 3   ? 0.8110 1.0865 0.6547 -0.0285 0.0531  -0.1728 4   DA  A "C3'" 
51   O "O3'" . DA  A 3   ? 0.7361 1.0436 0.5678 -0.0571 0.0775  -0.1550 4   DA  A "O3'" 
52   C "C2'" . DA  A 3   ? 0.6401 0.8439 0.4807 -0.0396 0.0455  -0.1562 4   DA  A "C2'" 
53   C "C1'" . DA  A 3   ? 0.7195 0.9059 0.5216 -0.0411 0.0555  -0.1463 4   DA  A "C1'" 
54   N N9    . DA  A 3   ? 0.6724 0.8000 0.4704 -0.0352 0.0421  -0.1410 4   DA  A N9    
55   C C8    . DA  A 3   ? 0.6670 0.7723 0.4913 -0.0141 0.0169  -0.1530 4   DA  A C8    
56   N N7    . DA  A 3   ? 0.7740 0.8324 0.5908 -0.0149 0.0103  -0.1422 4   DA  A N7    
57   C C5    . DA  A 3   ? 0.7569 0.8028 0.5371 -0.0356 0.0316  -0.1249 4   DA  A C5    
58   C C6    . DA  A 3   ? 0.7160 0.7175 0.4708 -0.0439 0.0347  -0.1099 4   DA  A C6    
59   N N6    . DA  A 3   ? 0.7064 0.6735 0.4717 -0.0326 0.0190  -0.1089 4   DA  A N6    
60   N N1    . DA  A 3   ? 0.7538 0.7486 0.4735 -0.0646 0.0523  -0.0953 4   DA  A N1    
61   C C2    . DA  A 3   ? 0.7707 0.8039 0.4846 -0.0790 0.0668  -0.0924 4   DA  A C2    
62   N N3    . DA  A 3   ? 0.6749 0.7582 0.4124 -0.0735 0.0685  -0.1045 4   DA  A N3    
63   C C4    . DA  A 3   ? 0.6668 0.7525 0.4356 -0.0498 0.0500  -0.1224 4   DA  A C4    
64   P P     . DA  A 4   ? 1.0800 1.3748 0.9299 -0.0859 0.0820  -0.1405 5   DA  A P     
65   O OP1   . DA  A 4   ? 1.1174 1.4753 0.9699 -0.1021 0.0997  -0.1353 5   DA  A OP1   
66   O OP2   . DA  A 4   ? 0.8937 1.1647 0.7754 -0.0723 0.0609  -0.1538 5   DA  A OP2   
67   O "O5'" . DA  A 4   ? 0.8627 1.0963 0.6853 -0.1105 0.0882  -0.1139 5   DA  A "O5'" 
68   C "C5'" . DA  A 4   ? 0.8350 1.0690 0.6227 -0.1241 0.1022  -0.0975 5   DA  A "C5'" 
69   C "C4'" . DA  A 4   ? 0.7105 0.8802 0.4758 -0.1451 0.1013  -0.0762 5   DA  A "C4'" 
70   O "O4'" . DA  A 4   ? 0.6571 0.7790 0.4158 -0.1263 0.0888  -0.0820 5   DA  A "O4'" 
71   C "C3'" . DA  A 4   ? 0.7207 0.8690 0.5015 -0.1632 0.0974  -0.0680 5   DA  A "C3'" 
72   O "O3'" . DA  A 4   ? 0.7602 0.8807 0.5156 -0.1905 0.1015  -0.0458 5   DA  A "O3'" 
73   C "C2'" . DA  A 4   ? 0.6601 0.7636 0.4506 -0.1459 0.0827  -0.0748 5   DA  A "C2'" 
74   C "C1'" . DA  A 4   ? 0.7280 0.8061 0.4937 -0.1331 0.0806  -0.0747 5   DA  A "C1'" 
75   N N9    . DA  A 4   ? 0.7352 0.7926 0.5179 -0.1098 0.0657  -0.0852 5   DA  A N9    
76   C C8    . DA  A 4   ? 0.6928 0.7714 0.5099 -0.0915 0.0534  -0.1013 5   DA  A C8    
77   N N7    . DA  A 4   ? 0.6460 0.6972 0.4752 -0.0760 0.0378  -0.1034 5   DA  A N7    
78   C C5    . DA  A 4   ? 0.6514 0.6651 0.4512 -0.0827 0.0426  -0.0898 5   DA  A C5    
79   C C6    . DA  A 4   ? 0.6735 0.6517 0.4710 -0.0733 0.0324  -0.0842 5   DA  A C6    
80   N N6    . DA  A 4   ? 0.6762 0.6506 0.5053 -0.0576 0.0141  -0.0885 5   DA  A N6    
81   N N1    . DA  A 4   ? 0.6666 0.6137 0.4296 -0.0812 0.0393  -0.0731 5   DA  A N1    
82   C C2    . DA  A 4   ? 0.7180 0.6647 0.4514 -0.0991 0.0527  -0.0662 5   DA  A C2    
83   N N3    . DA  A 4   ? 0.6928 0.6712 0.4279 -0.1125 0.0627  -0.0668 5   DA  A N3    
84   C C4    . DA  A 4   ? 0.6838 0.6977 0.4531 -0.1025 0.0584  -0.0797 5   DA  A C4    
85   P P     . DA  A 5   ? 0.7916 0.8951 0.5569 -0.2129 0.0967  -0.0355 6   DA  A P     
86   O OP1   . DA  A 5   ? 0.8436 0.9610 0.5960 -0.2435 0.1030  -0.0148 6   DA  A OP1   
87   O OP2   . DA  A 5   ? 0.5767 0.7076 0.3790 -0.2012 0.0933  -0.0516 6   DA  A OP2   
88   O "O5'" . DA  A 5   ? 0.7741 0.8079 0.5185 -0.2082 0.0841  -0.0307 6   DA  A "O5'" 
89   C "C5'" . DA  A 5   ? 0.6384 0.6340 0.3467 -0.2101 0.0823  -0.0211 6   DA  A "C5'" 
90   C "C4'" . DA  A 5   ? 0.7798 0.7266 0.4784 -0.1931 0.0707  -0.0249 6   DA  A "C4'" 
91   O "O4'" . DA  A 5   ? 0.7320 0.6932 0.4509 -0.1683 0.0706  -0.0386 6   DA  A "O4'" 
92   C "C3'" . DA  A 5   ? 0.7056 0.6327 0.4131 -0.1945 0.0608  -0.0245 6   DA  A "C3'" 
93   O "O3'" . DA  A 5   ? 0.7354 0.6123 0.4098 -0.2004 0.0494  -0.0157 6   DA  A "O3'" 
94   C "C2'" . DA  A 5   ? 0.7519 0.6838 0.4818 -0.1696 0.0576  -0.0349 6   DA  A "C2'" 
95   C "C1'" . DA  A 5   ? 0.6626 0.5987 0.3887 -0.1563 0.0610  -0.0396 6   DA  A "C1'" 
96   N N9    . DA  A 5   ? 0.6009 0.5600 0.3603 -0.1376 0.0577  -0.0500 6   DA  A N9    
97   C C8    . DA  A 5   ? 0.5806 0.5775 0.3725 -0.1350 0.0579  -0.0596 6   DA  A C8    
98   N N7    . DA  A 5   ? 0.5838 0.5878 0.4017 -0.1172 0.0484  -0.0669 6   DA  A N7    
99   C C5    . DA  A 5   ? 0.5918 0.5644 0.3952 -0.1087 0.0437  -0.0601 6   DA  A C5    
100  C C6    . DA  A 5   ? 0.5975 0.5619 0.4191 -0.0924 0.0316  -0.0598 6   DA  A C6    
101  N N6    . DA  A 5   ? 0.5667 0.5493 0.4256 -0.0819 0.0189  -0.0663 6   DA  A N6    
102  N N1    . DA  A 5   ? 0.5959 0.5321 0.3978 -0.0879 0.0301  -0.0518 6   DA  A N1    
103  C C2    . DA  A 5   ? 0.6251 0.5383 0.3886 -0.0972 0.0382  -0.0467 6   DA  A C2    
104  N N3    . DA  A 5   ? 0.6111 0.5238 0.3540 -0.1137 0.0466  -0.0454 6   DA  A N3    
105  C C4    . DA  A 5   ? 0.5861 0.5316 0.3523 -0.1196 0.0500  -0.0514 6   DA  A C4    
106  P P     . DA  A 6   ? 0.7862 0.6356 0.4581 -0.1986 0.0346  -0.0160 7   DA  A P     
107  O OP1   . DA  A 6   ? 0.7504 0.5536 0.3872 -0.2130 0.0199  -0.0062 7   DA  A OP1   
108  O OP2   . DA  A 6   ? 0.7896 0.6743 0.4954 -0.2034 0.0379  -0.0205 7   DA  A OP2   
109  O "O5'" . DA  A 6   ? 0.7560 0.5940 0.4272 -0.1696 0.0310  -0.0230 7   DA  A "O5'" 
110  C "C5'" . DA  A 6   ? 0.7208 0.5290 0.3646 -0.1584 0.0269  -0.0220 7   DA  A "C5'" 
111  C "C4'" . DA  A 6   ? 0.7115 0.5288 0.3686 -0.1330 0.0265  -0.0259 7   DA  A "C4'" 
112  O "O4'" . DA  A 6   ? 0.6910 0.5457 0.3836 -0.1290 0.0361  -0.0289 7   DA  A "O4'" 
113  C "C3'" . DA  A 6   ? 0.8134 0.6354 0.4782 -0.1218 0.0192  -0.0270 7   DA  A "C3'" 
114  O "O3'" . DA  A 6   ? 0.8946 0.6886 0.5295 -0.1051 0.0077  -0.0276 7   DA  A "O3'" 
115  C "C2'" . DA  A 6   ? 0.8126 0.6743 0.5172 -0.1105 0.0263  -0.0264 7   DA  A "C2'" 
116  C "C1'" . DA  A 6   ? 0.6352 0.5051 0.3500 -0.1123 0.0331  -0.0277 7   DA  A "C1'" 
117  N N9    . DA  A 6   ? 0.5407 0.4456 0.2953 -0.1120 0.0368  -0.0308 7   DA  A N9    
118  C C8    . DA  A 6   ? 0.6227 0.5504 0.3958 -0.1233 0.0406  -0.0364 7   DA  A C8    
119  N N7    . DA  A 6   ? 0.5565 0.5111 0.3640 -0.1167 0.0388  -0.0410 7   DA  A N7    
120  C C5    . DA  A 6   ? 0.5155 0.4634 0.3299 -0.1027 0.0328  -0.0354 7   DA  A C5    
121  C C6    . DA  A 6   ? 0.5301 0.4926 0.3786 -0.0921 0.0234  -0.0345 7   DA  A C6    
122  N N6    . DA  A 6   ? 0.4727 0.4577 0.3526 -0.0913 0.0172  -0.0427 7   DA  A N6    
123  N N1    . DA  A 6   ? 0.5466 0.4994 0.3971 -0.0821 0.0175  -0.0249 7   DA  A N1    
124  C C2    . DA  A 6   ? 0.5360 0.4679 0.3540 -0.0800 0.0220  -0.0195 7   DA  A C2    
125  N N3    . DA  A 6   ? 0.5871 0.4999 0.3686 -0.0868 0.0286  -0.0222 7   DA  A N3    
126  C C4    . DA  A 6   ? 0.5671 0.4879 0.3497 -0.0995 0.0332  -0.0290 7   DA  A C4    
127  P P     . DG  A 7   ? 1.0164 0.8108 0.6450 -0.0883 -0.0036 -0.0305 8   DG  A P     
128  O OP1   . DG  A 7   ? 1.1140 0.8698 0.7006 -0.0742 -0.0202 -0.0353 8   DG  A OP1   
129  O OP2   . DG  A 7   ? 0.8857 0.6888 0.5303 -0.1032 -0.0046 -0.0320 8   DG  A OP2   
130  O "O5'" . DG  A 7   ? 0.8833 0.7202 0.5413 -0.0691 0.0049  -0.0249 8   DG  A "O5'" 
131  C "C5'" . DG  A 7   ? 0.8143 0.6580 0.4751 -0.0585 0.0090  -0.0203 8   DG  A "C5'" 
132  C "C4'" . DG  A 7   ? 0.7278 0.6160 0.4294 -0.0504 0.0155  -0.0099 8   DG  A "C4'" 
133  O "O4'" . DG  A 7   ? 0.6981 0.6000 0.4324 -0.0665 0.0217  -0.0099 8   DG  A "O4'" 
134  C "C3'" . DG  A 7   ? 0.8056 0.7212 0.5167 -0.0387 0.0134  -0.0049 8   DG  A "C3'" 
135  O "O3'" . DG  A 7   ? 0.8726 0.8042 0.5710 -0.0151 0.0103  0.0014  8   DG  A "O3'" 
136  C "C2'" . DG  A 7   ? 0.8078 0.7576 0.5665 -0.0470 0.0188  0.0046  8   DG  A "C2'" 
137  C "C1'" . DG  A 7   ? 0.6299 0.5677 0.4007 -0.0601 0.0218  0.0007  8   DG  A "C1'" 
138  N N9    . DG  A 7   ? 0.5755 0.5263 0.3775 -0.0734 0.0233  -0.0033 8   DG  A N9    
139  C C8    . DG  A 7   ? 0.6059 0.5504 0.4041 -0.0873 0.0261  -0.0144 8   DG  A C8    
140  N N7    . DG  A 7   ? 0.5451 0.5096 0.3757 -0.0932 0.0257  -0.0181 8   DG  A N7    
141  C C5    . DG  A 7   ? 0.5504 0.5293 0.4079 -0.0839 0.0195  -0.0079 8   DG  A C5    
142  C C6    . DG  A 7   ? 0.4784 0.4754 0.3760 -0.0838 0.0107  -0.0074 8   DG  A C6    
143  O O6    . DG  A 7   ? 0.5351 0.5419 0.4503 -0.0890 0.0078  -0.0190 8   DG  A O6    
144  N N1    . DG  A 7   ? 0.4481 0.4526 0.3668 -0.0760 0.0017  0.0086  8   DG  A N1    
145  C C2    . DG  A 7   ? 0.5711 0.5740 0.4747 -0.0682 0.0045  0.0220  8   DG  A C2    
146  N N2    . DG  A 7   ? 0.6226 0.6402 0.5557 -0.0637 -0.0055 0.0398  8   DG  A N2    
147  N N3    . DG  A 7   ? 0.6153 0.6036 0.4788 -0.0646 0.0136  0.0182  8   DG  A N3    
148  C C4    . DG  A 7   ? 0.5397 0.5131 0.3819 -0.0733 0.0192  0.0031  8   DG  A C4    
149  P P     . DA  A 8   ? 0.8315 0.7915 0.5234 0.0056  0.0063  0.0048  9   DA  A P     
150  O OP1   . DA  A 8   ? 0.8767 0.8421 0.5379 0.0327  0.0004  0.0032  9   DA  A OP1   
151  O OP2   . DA  A 8   ? 0.9027 0.8413 0.5854 -0.0038 0.0008  -0.0070 9   DA  A OP2   
152  O "O5'" . DA  A 8   ? 0.8800 0.8914 0.6192 0.0037  0.0139  0.0258  9   DA  A "O5'" 
153  C "C5'" . DA  A 8   ? 0.8552 0.8902 0.6203 0.0040  0.0174  0.0419  9   DA  A "C5'" 
154  C "C4'" . DA  A 8   ? 0.7272 0.7970 0.5413 -0.0066 0.0185  0.0610  9   DA  A "C4'" 
155  O "O4'" . DA  A 8   ? 0.8185 0.8633 0.6506 -0.0276 0.0173  0.0504  9   DA  A "O4'" 
156  C "C3'" . DA  A 8   ? 0.7536 0.8551 0.5721 0.0018  0.0185  0.0697  9   DA  A "C3'" 
157  O "O3'" . DA  A 8   ? 0.7610 0.9135 0.5872 0.0190  0.0204  0.0931  9   DA  A "O3'" 
158  C "C2'" . DA  A 8   ? 0.6917 0.7961 0.5511 -0.0180 0.0156  0.0748  9   DA  A "C2'" 
159  C "C1'" . DA  A 8   ? 0.7115 0.7817 0.5796 -0.0342 0.0142  0.0618  9   DA  A "C1'" 
160  N N9    . DA  A 8   ? 0.6710 0.7190 0.5422 -0.0485 0.0135  0.0436  9   DA  A N9    
161  C C8    . DA  A 8   ? 0.6189 0.6403 0.4596 -0.0522 0.0167  0.0243  9   DA  A C8    
162  N N7    . DA  A 8   ? 0.6319 0.6472 0.4874 -0.0663 0.0162  0.0128  9   DA  A N7    
163  C C5    . DA  A 8   ? 0.5756 0.6106 0.4713 -0.0693 0.0104  0.0223  9   DA  A C5    
164  C C6    . DA  A 8   ? 0.4647 0.5050 0.3910 -0.0786 0.0042  0.0146  9   DA  A C6    
165  N N6    . DA  A 8   ? 0.4500 0.4835 0.3718 -0.0874 0.0072  -0.0040 9   DA  A N6    
166  N N1    . DA  A 8   ? 0.4760 0.5305 0.4393 -0.0781 -0.0079 0.0270  9   DA  A N1    
167  C C2    . DA  A 8   ? 0.4978 0.5645 0.4699 -0.0720 -0.0112 0.0494  9   DA  A C2    
168  N N3    . DA  A 8   ? 0.5736 0.6449 0.5207 -0.0629 -0.0026 0.0594  9   DA  A N3    
169  C C4    . DA  A 8   ? 0.5770 0.6299 0.4842 -0.0604 0.0074  0.0429  9   DA  A C4    
170  P P     . DG  A 9   ? 0.6760 0.8720 0.4958 0.0369  0.0215  0.1043  10  DG  A P     
171  O OP1   . DG  A 9   ? 0.6999 0.9342 0.4952 0.0656  0.0243  0.1116  10  DG  A OP1   
172  O OP2   . DG  A 9   ? 0.9689 1.1310 0.7686 0.0343  0.0180  0.0814  10  DG  A OP2   
173  O "O5'" . DG  A 9   ? 0.6105 0.8463 0.4839 0.0218  0.0201  0.1360  10  DG  A "O5'" 
174  C "C5'" . DG  A 9   ? 0.7402 1.0009 0.6492 0.0134  0.0184  0.1613  10  DG  A "C5'" 
175  C "C4'" . DG  A 9   ? 0.6402 0.9237 0.6009 -0.0054 0.0097  0.1889  10  DG  A "C4'" 
176  O "O4'" . DG  A 9   ? 0.6601 0.8955 0.6343 -0.0241 0.0016  0.1686  10  DG  A "O4'" 
177  C "C3'" . DG  A 9   ? 0.6462 0.9755 0.6104 0.0029  0.0112  0.2094  10  DG  A "C3'" 
178  O "O3'" . DG  A 9   ? 0.6904 1.0606 0.7040 -0.0110 0.0027  0.2500  10  DG  A "O3'" 
179  C "C2'" . DG  A 9   ? 0.6289 0.9169 0.5851 -0.0050 0.0072  0.1838  10  DG  A "C2'" 
180  C "C1'" . DG  A 9   ? 0.5523 0.7943 0.5326 -0.0267 -0.0016 0.1696  10  DG  A "C1'" 
181  N N9    . DG  A 9   ? 0.6610 0.8560 0.6204 -0.0315 -0.0006 0.1339  10  DG  A N9    
182  C C8    . DG  A 9   ? 0.6451 0.8160 0.5598 -0.0210 0.0076  0.1081  10  DG  A C8    
183  N N7    . DG  A 9   ? 0.5695 0.7051 0.4797 -0.0320 0.0061  0.0835  10  DG  A N7    
184  C C5    . DG  A 9   ? 0.5907 0.7280 0.5424 -0.0472 -0.0032 0.0897  10  DG  A C5    
185  C C6    . DG  A 9   ? 0.5390 0.6538 0.5052 -0.0603 -0.0088 0.0698  10  DG  A C6    
186  O O6    . DG  A 9   ? 0.5242 0.6168 0.4713 -0.0643 -0.0040 0.0456  10  DG  A O6    
187  N N1    . DG  A 9   ? 0.5478 0.6708 0.5566 -0.0689 -0.0235 0.0814  10  DG  A N1    
188  C C2    . DG  A 9   ? 0.5221 0.6695 0.5593 -0.0693 -0.0329 0.1125  10  DG  A C2    
189  N N2    . DG  A 9   ? 0.4033 0.5484 0.4819 -0.0790 -0.0532 0.1198  10  DG  A N2    
190  N N3    . DG  A 9   ? 0.5028 0.6773 0.5299 -0.0602 -0.0252 0.1354  10  DG  A N3    
191  C C4    . DG  A 9   ? 0.5878 0.7566 0.5702 -0.0476 -0.0097 0.1205  10  DG  A C4    
192  P P     . DA  A 10  ? 0.8038 1.2398 0.8269 -0.0032 0.0046  0.2856  11  DA  A P     
193  O OP1   . DA  A 10  ? 0.8191 1.3098 0.8861 -0.0136 -0.0004 0.3329  11  DA  A OP1   
194  O OP2   . DA  A 10  ? 0.6818 1.1353 0.6516 0.0277  0.0181  0.2677  11  DA  A OP2   
195  O "O5'" . DA  A 10  ? 0.7365 1.1423 0.7813 -0.0210 -0.0088 0.2816  11  DA  A "O5'" 
196  C "C5'" . DA  A 10  ? 0.6909 1.0530 0.7730 -0.0454 -0.0262 0.2760  11  DA  A "C5'" 
197  C "C4'" . DA  A 10  ? 0.6214 0.9589 0.7144 -0.0548 -0.0382 0.2658  11  DA  A "C4'" 
198  O "O4'" . DA  A 10  ? 0.6278 0.9129 0.6923 -0.0521 -0.0333 0.2188  11  DA  A "O4'" 
199  C "C3'" . DA  A 10  ? 0.5771 0.9540 0.6573 -0.0434 -0.0333 0.2824  11  DA  A "C3'" 
200  O "O3'" . DA  A 10  ? 0.6798 1.0553 0.7979 -0.0604 -0.0533 0.3016  11  DA  A "O3'" 
201  C "C2'" . DA  A 10  ? 0.5903 0.9338 0.6238 -0.0282 -0.0222 0.2386  11  DA  A "C2'" 
202  C "C1'" . DA  A 10  ? 0.6069 0.8922 0.6516 -0.0441 -0.0303 0.2070  11  DA  A "C1'" 
203  N N9    . DA  A 10  ? 0.5475 0.7965 0.5522 -0.0357 -0.0194 0.1664  11  DA  A N9    
204  C C8    . DA  A 10  ? 0.5672 0.8189 0.5285 -0.0168 -0.0059 0.1541  11  DA  A C8    
205  N N7    . DA  A 10  ? 0.5452 0.7560 0.4805 -0.0169 -0.0029 0.1198  11  DA  A N7    
206  C C5    . DA  A 10  ? 0.5449 0.7316 0.5082 -0.0357 -0.0117 0.1084  11  DA  A C5    
207  C C6    . DA  A 10  ? 0.4705 0.6210 0.4285 -0.0454 -0.0123 0.0772  11  DA  A C6    
208  N N6    . DA  A 10  ? 0.4698 0.5963 0.3929 -0.0413 -0.0051 0.0544  11  DA  A N6    
209  N N1    . DA  A 10  ? 0.4865 0.6287 0.4776 -0.0592 -0.0230 0.0715  11  DA  A N1    
210  C C2    . DA  A 10  ? 0.4706 0.6306 0.4976 -0.0641 -0.0361 0.0952  11  DA  A C2    
211  N N3    . DA  A 10  ? 0.5136 0.7046 0.5518 -0.0602 -0.0383 0.1292  11  DA  A N3    
212  C C4    . DA  A 10  ? 0.5124 0.7195 0.5172 -0.0455 -0.0234 0.1344  11  DA  A C4    
213  P P     . DA  A 11  ? 0.7002 1.1320 0.8256 -0.0567 -0.0551 0.3424  12  DA  A P     
214  O OP1   . DA  A 11  ? 0.6168 1.0926 0.7861 -0.0723 -0.0659 0.3949  12  DA  A OP1   
215  O OP2   . DA  A 11  ? 0.6937 1.1525 0.7676 -0.0277 -0.0333 0.3292  12  DA  A OP2   
216  O "O5'" . DA  A 11  ? 0.6558 1.0502 0.7997 -0.0693 -0.0758 0.3307  12  DA  A "O5'" 
217  C "C5'" . DA  A 11  ? 0.5654 0.9162 0.7491 -0.0904 -0.1012 0.3239  12  DA  A "C5'" 
218  C "C4'" . DA  A 11  ? 0.4558 0.7598 0.6319 -0.0900 -0.1100 0.2830  12  DA  A "C4'" 
219  O "O4'" . DA  A 11  ? 0.4229 0.6998 0.5607 -0.0780 -0.0898 0.2376  12  DA  A "O4'" 
220  C "C3'" . DA  A 11  ? 0.5624 0.8824 0.7269 -0.0829 -0.1111 0.2893  12  DA  A "C3'" 
221  O "O3'" . DA  A 11  ? 0.6170 0.9028 0.8087 -0.0945 -0.1382 0.2779  12  DA  A "O3'" 
222  C "C2'" . DA  A 11  ? 0.5315 0.8438 0.6453 -0.0621 -0.0862 0.2511  12  DA  A "C2'" 
223  C "C1'" . DA  A 11  ? 0.4662 0.7367 0.5762 -0.0667 -0.0824 0.2145  12  DA  A "C1'" 
224  N N9    . DA  A 11  ? 0.5383 0.8037 0.6035 -0.0510 -0.0590 0.1886  12  DA  A N9    
225  C C8    . DA  A 11  ? 0.4556 0.7531 0.4918 -0.0344 -0.0423 0.2019  12  DA  A C8    
226  N N7    . DA  A 11  ? 0.4474 0.7244 0.4452 -0.0222 -0.0292 0.1708  12  DA  A N7    
227  C C5    . DA  A 11  ? 0.4672 0.7006 0.4713 -0.0340 -0.0351 0.1383  12  DA  A C5    
228  C C6    . DA  A 11  ? 0.4948 0.6931 0.4736 -0.0331 -0.0285 0.1014  12  DA  A C6    
229  N N6    . DA  A 11  ? 0.5309 0.7233 0.4706 -0.0192 -0.0176 0.0894  12  DA  A N6    
230  N N1    . DA  A 11  ? 0.4501 0.6216 0.4465 -0.0469 -0.0358 0.0784  12  DA  A N1    
231  C C2    . DA  A 11  ? 0.4457 0.6200 0.4796 -0.0575 -0.0514 0.0873  12  DA  A C2    
232  N N3    . DA  A 11  ? 0.4507 0.6479 0.5108 -0.0602 -0.0630 0.1202  12  DA  A N3    
233  C C4    . DA  A 11  ? 0.4489 0.6772 0.4933 -0.0496 -0.0527 0.1468  12  DA  A C4    
234  P P     . DT  A 12  ? 0.6998 0.9915 0.8857 -0.0897 -0.1466 0.2811  13  DT  A P     
235  O OP1   . DT  A 12  ? 0.7364 1.0094 0.9673 -0.1076 -0.1838 0.2985  13  DT  A OP1   
236  O OP2   . DT  A 12  ? 0.6950 1.0389 0.8528 -0.0748 -0.1262 0.3090  13  DT  A OP2   
237  O "O5'" . DT  A 12  ? 0.6450 0.8996 0.8033 -0.0788 -0.1371 0.2237  13  DT  A "O5'" 
238  C "C5'" . DT  A 12  ? 0.4666 0.6817 0.6366 -0.0852 -0.1444 0.1873  13  DT  A "C5'" 
239  C "C4'" . DT  A 12  ? 0.4773 0.6735 0.6172 -0.0751 -0.1287 0.1413  13  DT  A "C4'" 
240  O "O4'" . DT  A 12  ? 0.5330 0.7391 0.6364 -0.0650 -0.1011 0.1355  13  DT  A "O4'" 
241  C "C3'" . DT  A 12  ? 0.4957 0.6952 0.6240 -0.0666 -0.1320 0.1339  13  DT  A "C3'" 
242  O "O3'" . DT  A 12  ? 0.5024 0.6750 0.6481 -0.0707 -0.1489 0.1016  13  DT  A "O3'" 
243  C "C2'" . DT  A 12  ? 0.4890 0.6953 0.5729 -0.0511 -0.1057 0.1171  13  DT  A "C2'" 
244  C "C1'" . DT  A 12  ? 0.4831 0.6812 0.5576 -0.0543 -0.0907 0.1077  13  DT  A "C1'" 
245  N N1    . DT  A 12  ? 0.4421 0.6555 0.4773 -0.0392 -0.0697 0.1114  13  DT  A N1    
246  C C2    . DT  A 12  ? 0.4435 0.6351 0.4508 -0.0345 -0.0578 0.0795  13  DT  A C2    
247  O O2    . DT  A 12  ? 0.4375 0.6041 0.4521 -0.0440 -0.0602 0.0508  13  DT  A O2    
248  N N3    . DT  A 12  ? 0.4551 0.6582 0.4262 -0.0178 -0.0447 0.0833  13  DT  A N3    
249  C C4    . DT  A 12  ? 0.5031 0.7443 0.4622 -0.0028 -0.0397 0.1139  13  DT  A C4    
250  O O4    . DT  A 12  ? 0.4771 0.7283 0.4010 0.0164  -0.0301 0.1112  13  DT  A O4    
251  C C5    . DT  A 12  ? 0.4971 0.7679 0.4887 -0.0107 -0.0490 0.1501  13  DT  A C5    
252  C C7    . DT  A 12  ? 0.4688 0.7933 0.4538 0.0025  -0.0430 0.1901  13  DT  A C7    
253  C C6    . DT  A 12  ? 0.4903 0.7419 0.5183 -0.0295 -0.0650 0.1476  13  DT  A C6    
254  P P     . DT  A 13  ? 0.6648 0.8348 0.8105 -0.0647 -0.1620 0.0933  14  DT  A P     
255  O OP1   . DT  A 13  ? 0.6314 0.7780 0.8090 -0.0711 -0.1893 0.0713  14  DT  A OP1   
256  O OP2   . DT  A 13  ? 0.6038 0.8013 0.7432 -0.0604 -0.1636 0.1353  14  DT  A OP2   
257  O "O5'" . DT  A 13  ? 0.5803 0.7464 0.6917 -0.0536 -0.1399 0.0591  14  DT  A "O5'" 
258  C "C5'" . DT  A 13  ? 0.5782 0.7286 0.6878 -0.0578 -0.1307 0.0237  14  DT  A "C5'" 
259  C "C4'" . DT  A 13  ? 0.5588 0.7062 0.6389 -0.0497 -0.1151 0.0002  14  DT  A "C4'" 
260  O "O4'" . DT  A 13  ? 0.5210 0.6752 0.5694 -0.0427 -0.0959 0.0128  14  DT  A "O4'" 
261  C "C3'" . DT  A 13  ? 0.5501 0.7005 0.6227 -0.0387 -0.1240 -0.0012 14  DT  A "C3'" 
262  O "O3'" . DT  A 13  ? 0.6433 0.7820 0.7165 -0.0393 -0.1247 -0.0370 14  DT  A "O3'" 
263  C "C2'" . DT  A 13  ? 0.6493 0.8141 0.6856 -0.0234 -0.1100 0.0182  14  DT  A "C2'" 
264  C "C1'" . DT  A 13  ? 0.4735 0.6314 0.4943 -0.0273 -0.0926 0.0098  14  DT  A "C1'" 
265  N N1    . DT  A 13  ? 0.4718 0.6472 0.4633 -0.0136 -0.0803 0.0331  14  DT  A N1    
266  C C2    . DT  A 13  ? 0.5006 0.6652 0.4605 -0.0055 -0.0688 0.0179  14  DT  A C2    
267  O O2    . DT  A 13  ? 0.4804 0.6213 0.4369 -0.0123 -0.0681 -0.0101 14  DT  A O2    
268  N N3    . DT  A 13  ? 0.4907 0.6756 0.4239 0.0112  -0.0602 0.0380  14  DT  A N3    
269  C C4    . DT  A 13  ? 0.4919 0.7138 0.4292 0.0186  -0.0590 0.0741  14  DT  A C4    
270  O O4    . DT  A 13  ? 0.5711 0.8179 0.4834 0.0358  -0.0501 0.0896  14  DT  A O4    
271  C C5    . DT  A 13  ? 0.4866 0.7180 0.4604 0.0050  -0.0713 0.0932  14  DT  A C5    
272  C C7    . DT  A 13  ? 0.4872 0.7602 0.4726 0.0070  -0.0734 0.1385  14  DT  A C7    
273  C C6    . DT  A 13  ? 0.4748 0.6792 0.4725 -0.0093 -0.0827 0.0704  14  DT  A C6    
274  P P     . DG  A 14  ? 0.7439 0.8793 0.8296 -0.0337 -0.1435 -0.0507 15  DG  A P     
275  O OP1   . DG  A 14  ? 0.6999 0.8310 0.8209 -0.0428 -0.1605 -0.0664 15  DG  A OP1   
276  O OP2   . DG  A 14  ? 0.6669 0.8123 0.7380 -0.0211 -0.1491 -0.0215 15  DG  A OP2   
277  O "O5'" . DG  A 14  ? 0.7214 0.8495 0.7914 -0.0303 -0.1353 -0.0813 15  DG  A "O5'" 
278  C "C5'" . DG  A 14  ? 0.5743 0.6991 0.6460 -0.0420 -0.1227 -0.1011 15  DG  A "C5'" 
279  C "C4'" . DG  A 14  ? 0.6753 0.7904 0.7202 -0.0374 -0.1146 -0.1116 15  DG  A "C4'" 
280  O "O4'" . DG  A 14  ? 0.5867 0.6994 0.5996 -0.0272 -0.1049 -0.0901 15  DG  A "O4'" 
281  C "C3'" . DG  A 14  ? 0.6939 0.8034 0.7333 -0.0250 -0.1273 -0.1240 15  DG  A "C3'" 
282  O "O3'" . DG  A 14  ? 0.7559 0.8556 0.7927 -0.0310 -0.1263 -0.1466 15  DG  A "O3'" 
283  C "C2'" . DG  A 14  ? 0.6864 0.7967 0.6925 -0.0040 -0.1268 -0.1006 15  DG  A "C2'" 
284  C "C1'" . DG  A 14  ? 0.5863 0.6960 0.5735 -0.0069 -0.1111 -0.0878 15  DG  A "C1'" 
285  N N9    . DG  A 14  ? 0.6005 0.7263 0.5680 0.0078  -0.1065 -0.0571 15  DG  A N9    
286  C C8    . DG  A 14  ? 0.6300 0.7751 0.6107 0.0099  -0.1117 -0.0314 15  DG  A C8    
287  N N7    . DG  A 14  ? 0.6312 0.7972 0.5918 0.0226  -0.1045 -0.0029 15  DG  A N7    
288  C C5    . DG  A 14  ? 0.5889 0.7461 0.5185 0.0325  -0.0948 -0.0143 15  DG  A C5    
289  C C6    . DG  A 14  ? 0.5369 0.7114 0.4342 0.0512  -0.0855 0.0023  15  DG  A C6    
290  O O6    . DG  A 14  ? 0.5398 0.7488 0.4310 0.0619  -0.0808 0.0336  15  DG  A O6    
291  N N1    . DG  A 14  ? 0.5498 0.7005 0.4213 0.0575  -0.0836 -0.0203 15  DG  A N1    
292  C C2    . DG  A 14  ? 0.5866 0.7036 0.4658 0.0433  -0.0893 -0.0500 15  DG  A C2    
293  N N2    . DG  A 14  ? 0.5687 0.6628 0.4214 0.0494  -0.0909 -0.0648 15  DG  A N2    
294  N N3    . DG  A 14  ? 0.5437 0.6524 0.4551 0.0246  -0.0948 -0.0633 15  DG  A N3    
295  C C4    . DG  A 14  ? 0.5669 0.6959 0.5008 0.0221  -0.0975 -0.0464 15  DG  A C4    
296  P P     . DG  A 15  ? 0.7752 0.8678 0.8164 -0.0229 -0.1420 -0.1677 16  DG  A P     
297  O OP1   . DG  A 15  ? 0.7906 0.8866 0.8548 -0.0421 -0.1411 -0.1905 16  DG  A OP1   
298  O OP2   . DG  A 15  ? 0.7475 0.8475 0.8000 -0.0123 -0.1546 -0.1636 16  DG  A OP2   
299  O "O5'" . DG  A 15  ? 0.7561 0.8304 0.7567 -0.0027 -0.1455 -0.1622 16  DG  A "O5'" 
300  C "C5'" . DG  A 15  ? 0.6478 0.7096 0.6257 -0.0053 -0.1371 -0.1575 16  DG  A "C5'" 
301  C "C4'" . DG  A 15  ? 0.7871 0.8372 0.7232 0.0237  -0.1444 -0.1513 16  DG  A "C4'" 
302  O "O4'" . DG  A 15  ? 0.7778 0.8476 0.6969 0.0372  -0.1340 -0.1243 16  DG  A "O4'" 
303  C "C3'" . DG  A 15  ? 0.5992 0.6437 0.5278 0.0451  -0.1626 -0.1633 16  DG  A "C3'" 
304  O "O3'" . DG  A 15  ? 0.6331 0.6526 0.5325 0.0624  -0.1766 -0.1764 16  DG  A "O3'" 
305  C "C2'" . DG  A 15  ? 0.7060 0.7742 0.6195 0.0658  -0.1589 -0.1391 16  DG  A "C2'" 
306  C "C1'" . DG  A 15  ? 0.7486 0.8261 0.6430 0.0668  -0.1433 -0.1183 16  DG  A "C1'" 
307  N N9    . DG  A 15  ? 0.6951 0.8035 0.5884 0.0732  -0.1342 -0.0871 16  DG  A N9    
308  C C8    . DG  A 15  ? 0.6591 0.7828 0.5801 0.0634  -0.1366 -0.0737 16  DG  A C8    
309  N N7    . DG  A 15  ? 0.7239 0.8750 0.6399 0.0692  -0.1301 -0.0407 16  DG  A N7    
310  C C5    . DG  A 15  ? 0.7114 0.8707 0.5930 0.0863  -0.1204 -0.0335 16  DG  A C5    
311  C C6    . DG  A 15  ? 0.7064 0.9005 0.5702 0.0995  -0.1096 -0.0012 16  DG  A C6    
312  O O6    . DG  A 15  ? 0.6710 0.8960 0.5486 0.0953  -0.1066 0.0322  16  DG  A O6    
313  N N1    . DG  A 15  ? 0.6391 0.8313 0.4670 0.1190  -0.1045 -0.0092 16  DG  A N1    
314  C C2    . DG  A 15  ? 0.6414 0.7963 0.4535 0.1229  -0.1123 -0.0425 16  DG  A C2    
315  N N2    . DG  A 15  ? 0.6363 0.7900 0.4125 0.1442  -0.1113 -0.0467 16  DG  A N2    
316  N N3    . DG  A 15  ? 0.6801 0.8025 0.5117 0.1070  -0.1227 -0.0688 16  DG  A N3    
317  C C4    . DG  A 15  ? 0.7071 0.8369 0.5730 0.0901  -0.1245 -0.0633 16  DG  A C4    
318  P P     . DC  B 1   ? 1.0622 1.0435 0.7444 -0.0658 0.0760  0.1336  2   DC  B P     
319  O OP1   . DC  B 1   ? 0.8297 0.8239 0.4679 -0.0430 0.0796  0.1312  2   DC  B OP1   
320  O OP2   . DC  B 1   ? 0.8657 0.8829 0.5633 -0.1021 0.0966  0.1530  2   DC  B OP2   
321  O "O5'" . DC  B 1   ? 0.7808 0.7762 0.5207 -0.0448 0.0671  0.1065  2   DC  B "O5'" 
322  C "C5'" . DC  B 1   ? 0.7537 0.7121 0.4987 -0.0201 0.0431  0.0853  2   DC  B "C5'" 
323  C "C4'" . DC  B 1   ? 0.7610 0.7098 0.5570 -0.0258 0.0334  0.0737  2   DC  B "C4'" 
324  O "O4'" . DC  B 1   ? 0.7639 0.6668 0.5498 -0.0289 0.0146  0.0736  2   DC  B "O4'" 
325  C "C3'" . DC  B 1   ? 0.6377 0.6172 0.4674 -0.0488 0.0502  0.0838  2   DC  B "C3'" 
326  O "O3'" . DC  B 1   ? 0.7169 0.7034 0.5909 -0.0433 0.0456  0.0683  2   DC  B "O3'" 
327  C "C2'" . DC  B 1   ? 0.7018 0.6462 0.5188 -0.0695 0.0435  0.0972  2   DC  B "C2'" 
328  C "C1'" . DC  B 1   ? 0.6559 0.5608 0.4704 -0.0495 0.0186  0.0798  2   DC  B "C1'" 
329  N N1    . DC  B 1   ? 0.7206 0.5753 0.5070 -0.0543 0.0013  0.0858  2   DC  B N1    
330  C C2    . DC  B 1   ? 0.7432 0.5725 0.5373 -0.0341 -0.0234 0.0654  2   DC  B C2    
331  O O2    . DC  B 1   ? 0.6281 0.4799 0.4549 -0.0188 -0.0283 0.0448  2   DC  B O2    
332  N N3    . DC  B 1   ? 0.7012 0.4815 0.4653 -0.0317 -0.0432 0.0677  2   DC  B N3    
333  C C4    . DC  B 1   ? 0.8212 0.5684 0.5459 -0.0533 -0.0395 0.0918  2   DC  B C4    
334  N N4    . DC  B 1   ? 0.7879 0.4742 0.4762 -0.0480 -0.0641 0.0926  2   DC  B N4    
335  C C5    . DC  B 1   ? 0.7587 0.5347 0.4790 -0.0814 -0.0123 0.1148  2   DC  B C5    
336  C C6    . DC  B 1   ? 0.7055 0.5399 0.4591 -0.0785 0.0076  0.1095  2   DC  B C6    
337  P P     . DC  B 2   ? 0.6723 0.6978 0.5707 -0.0367 0.0580  0.0628  3   DC  B P     
338  O OP1   . DC  B 2   ? 0.4518 0.4960 0.3215 -0.0171 0.0627  0.0594  3   DC  B OP1   
339  O OP2   . DC  B 2   ? 0.5154 0.5660 0.4362 -0.0570 0.0712  0.0740  3   DC  B OP2   
340  O "O5'" . DC  B 2   ? 0.5454 0.5506 0.4723 -0.0277 0.0435  0.0444  3   DC  B "O5'" 
341  C "C5'" . DC  B 2   ? 0.4994 0.4785 0.4166 -0.0127 0.0256  0.0295  3   DC  B "C5'" 
342  C "C4'" . DC  B 2   ? 0.4807 0.4453 0.4298 -0.0207 0.0130  0.0187  3   DC  B "C4'" 
343  O "O4'" . DC  B 2   ? 0.5552 0.5087 0.4977 -0.0272 0.0078  0.0239  3   DC  B "O4'" 
344  C "C3'" . DC  B 2   ? 0.4219 0.4000 0.4067 -0.0352 0.0215  0.0203  3   DC  B "C3'" 
345  O "O3'" . DC  B 2   ? 0.4656 0.4355 0.4751 -0.0379 0.0099  0.0055  3   DC  B "O3'" 
346  C "C2'" . DC  B 2   ? 0.4763 0.4611 0.4698 -0.0495 0.0269  0.0303  3   DC  B "C2'" 
347  C "C1'" . DC  B 2   ? 0.4628 0.4261 0.4381 -0.0414 0.0109  0.0242  3   DC  B "C1'" 
348  N N1    . DC  B 2   ? 0.4420 0.3928 0.3998 -0.0492 0.0106  0.0360  3   DC  B N1    
349  C C2    . DC  B 2   ? 0.5073 0.4404 0.4667 -0.0437 -0.0067 0.0259  3   DC  B C2    
350  O O2    . DC  B 2   ? 0.5298 0.4707 0.5120 -0.0339 -0.0187 0.0067  3   DC  B O2    
351  N N3    . DC  B 2   ? 0.4546 0.3626 0.3899 -0.0491 -0.0117 0.0360  3   DC  B N3    
352  C C4    . DC  B 2   ? 0.5253 0.4299 0.4397 -0.0658 0.0018  0.0570  3   DC  B C4    
353  N N4    . DC  B 2   ? 0.5680 0.4388 0.4557 -0.0753 -0.0064 0.0673  3   DC  B N4    
354  C C5    . DC  B 2   ? 0.5617 0.4981 0.4809 -0.0732 0.0222  0.0667  3   DC  B C5    
355  C C6    . DC  B 2   ? 0.4665 0.4228 0.4052 -0.0612 0.0248  0.0549  3   DC  B C6    
356  P P     . DA  B 3   ? 0.4479 0.4211 0.4823 -0.0514 0.0166  0.0067  4   DA  B P     
357  O OP1   . DA  B 3   ? 0.3785 0.3335 0.4216 -0.0530 0.0019  -0.0081 4   DA  B OP1   
358  O OP2   . DA  B 3   ? 0.5155 0.4953 0.5351 -0.0465 0.0296  0.0187  4   DA  B OP2   
359  O "O5'" . DA  B 3   ? 0.3778 0.3711 0.4411 -0.0682 0.0227  0.0095  4   DA  B "O5'" 
360  C "C5'" . DA  B 3   ? 0.3937 0.3959 0.4777 -0.0712 0.0116  -0.0043 4   DA  B "C5'" 
361  C "C4'" . DA  B 3   ? 0.3365 0.3621 0.4402 -0.0798 0.0185  -0.0021 4   DA  B "C4'" 
362  O "O4'" . DA  B 3   ? 0.3085 0.3249 0.3897 -0.0711 0.0173  0.0051  4   DA  B "O4'" 
363  C "C3'" . DA  B 3   ? 0.3843 0.4213 0.4983 -0.0938 0.0351  0.0098  4   DA  B "C3'" 
364  O "O3'" . DA  B 3   ? 0.3475 0.4134 0.4906 -0.1049 0.0382  0.0028  4   DA  B "O3'" 
365  C "C2'" . DA  B 3   ? 0.3507 0.3854 0.4458 -0.0892 0.0424  0.0229  4   DA  B "C2'" 
366  C "C1'" . DA  B 3   ? 0.3737 0.4013 0.4599 -0.0802 0.0298  0.0160  4   DA  B "C1'" 
367  N N9    . DA  B 3   ? 0.3898 0.4025 0.4480 -0.0786 0.0316  0.0289  4   DA  B N9    
368  C C8    . DA  B 3   ? 0.3500 0.3647 0.3927 -0.0817 0.0429  0.0424  4   DA  B C8    
369  N N7    . DA  B 3   ? 0.3603 0.3667 0.3813 -0.0864 0.0437  0.0531  4   DA  B N7    
370  C C5    . DA  B 3   ? 0.4137 0.3994 0.4297 -0.0839 0.0291  0.0466  4   DA  B C5    
371  C C6    . DA  B 3   ? 0.3923 0.3484 0.3808 -0.0878 0.0193  0.0534  4   DA  B C6    
372  N N6    . DA  B 3   ? 0.5347 0.4832 0.4988 -0.1027 0.0265  0.0713  4   DA  B N6    
373  N N1    . DA  B 3   ? 0.4825 0.4171 0.4675 -0.0765 0.0004  0.0405  4   DA  B N1    
374  C C2    . DA  B 3   ? 0.4411 0.3972 0.4558 -0.0643 -0.0049 0.0213  4   DA  B C2    
375  N N3    . DA  B 3   ? 0.4402 0.4287 0.4854 -0.0664 0.0058  0.0155  4   DA  B N3    
376  C C4    . DA  B 3   ? 0.4291 0.4239 0.4699 -0.0759 0.0215  0.0297  4   DA  B C4    
377  P P     . DA  B 4   ? 0.2965 0.3745 0.4508 -0.1233 0.0538  0.0126  5   DA  B P     
378  O OP1   . DA  B 4   ? 0.2901 0.4086 0.4758 -0.1344 0.0561  0.0013  5   DA  B OP1   
379  O OP2   . DA  B 4   ? 0.3391 0.3858 0.4782 -0.1286 0.0535  0.0199  5   DA  B OP2   
380  O "O5'" . DA  B 4   ? 0.2660 0.3450 0.4059 -0.1177 0.0635  0.0253  5   DA  B "O5'" 
381  C "C5'" . DA  B 4   ? 0.2431 0.3491 0.3953 -0.1183 0.0677  0.0218  5   DA  B "C5'" 
382  C "C4'" . DA  B 4   ? 0.3109 0.4189 0.4636 -0.1044 0.0538  0.0091  5   DA  B "C4'" 
383  O "O4'" . DA  B 4   ? 0.3877 0.4643 0.5138 -0.0968 0.0479  0.0172  5   DA  B "O4'" 
384  C "C3'" . DA  B 4   ? 0.2381 0.3655 0.3959 -0.0982 0.0528  0.0024  5   DA  B "C3'" 
385  O "O3'" . DA  B 4   ? 0.2801 0.4351 0.4575 -0.0893 0.0432  -0.0182 5   DA  B "O3'" 
386  C "C2'" . DA  B 4   ? 0.2537 0.3484 0.3849 -0.0904 0.0437  0.0089  5   DA  B "C2'" 
387  C "C1'" . DA  B 4   ? 0.3105 0.3786 0.4257 -0.0892 0.0386  0.0142  5   DA  B "C1'" 
388  N N9    . DA  B 4   ? 0.3618 0.4072 0.4518 -0.0928 0.0407  0.0294  5   DA  B N9    
389  C C8    . DA  B 4   ? 0.3346 0.3830 0.4186 -0.0990 0.0527  0.0423  5   DA  B C8    
390  N N7    . DA  B 4   ? 0.3757 0.4152 0.4409 -0.1038 0.0537  0.0531  5   DA  B N7    
391  C C5    . DA  B 4   ? 0.3051 0.3224 0.3582 -0.1031 0.0401  0.0495  5   DA  B C5    
392  C C6    . DA  B 4   ? 0.3412 0.3327 0.3686 -0.1121 0.0331  0.0589  5   DA  B C6    
393  N N6    . DA  B 4   ? 0.4079 0.4066 0.4241 -0.1269 0.0431  0.0742  5   DA  B N6    
394  N N1    . DA  B 4   ? 0.3826 0.3411 0.3945 -0.1059 0.0141  0.0514  5   DA  B N1    
395  C C2    . DA  B 4   ? 0.3475 0.3125 0.3747 -0.0884 0.0044  0.0326  5   DA  B C2    
396  N N3    . DA  B 4   ? 0.3620 0.3630 0.4199 -0.0822 0.0128  0.0223  5   DA  B N3    
397  C C4    . DA  B 4   ? 0.3615 0.3816 0.4287 -0.0922 0.0305  0.0332  5   DA  B C4    
398  P P     . DT  B 5   ? 0.3046 0.5012 0.4971 -0.0818 0.0453  -0.0317 6   DT  B P     
399  O OP1   . DT  B 5   ? 0.3254 0.5667 0.5464 -0.0748 0.0384  -0.0549 6   DT  B OP1   
400  O OP2   . DT  B 5   ? 0.2268 0.4365 0.4191 -0.0964 0.0651  -0.0171 6   DT  B OP2   
401  O "O5'" . DT  B 5   ? 0.3202 0.4816 0.4857 -0.0628 0.0277  -0.0355 6   DT  B "O5'" 
402  C "C5'" . DT  B 5   ? 0.3067 0.4404 0.4577 -0.0452 0.0048  -0.0473 6   DT  B "C5'" 
403  C "C4'" . DT  B 5   ? 0.3126 0.4028 0.4313 -0.0331 -0.0121 -0.0473 6   DT  B "C4'" 
404  O "O4'" . DT  B 5   ? 0.3234 0.3729 0.4181 -0.0508 -0.0062 -0.0228 6   DT  B "O4'" 
405  C "C3'" . DT  B 5   ? 0.3575 0.4699 0.4808 -0.0251 -0.0115 -0.0570 6   DT  B "C3'" 
406  O "O3'" . DT  B 5   ? 0.3569 0.4471 0.4614 0.0023  -0.0391 -0.0779 6   DT  B "O3'" 
407  C "C2'" . DT  B 5   ? 0.3292 0.4130 0.4352 -0.0436 -0.0026 -0.0347 6   DT  B "C2'" 
408  C "C1'" . DT  B 5   ? 0.3471 0.3814 0.4284 -0.0532 -0.0094 -0.0192 6   DT  B "C1'" 
409  N N1    . DT  B 5   ? 0.4004 0.4266 0.4758 -0.0759 0.0060  0.0042  6   DT  B N1    
410  C C2    . DT  B 5   ? 0.3497 0.3345 0.3973 -0.0869 -0.0029 0.0164  6   DT  B C2    
411  O O2    . DT  B 5   ? 0.4658 0.4072 0.4868 -0.0805 -0.0246 0.0113  6   DT  B O2    
412  N N3    . DT  B 5   ? 0.3757 0.3715 0.4257 -0.1063 0.0131  0.0342  6   DT  B N3    
413  C C4    . DT  B 5   ? 0.4266 0.4603 0.4977 -0.1102 0.0333  0.0400  6   DT  B C4    
414  O O4    . DT  B 5   ? 0.5055 0.5502 0.5762 -0.1220 0.0439  0.0526  6   DT  B O4    
415  C C5    . DT  B 5   ? 0.3784 0.4384 0.4703 -0.0996 0.0397  0.0295  6   DT  B C5    
416  C C7    . DT  B 5   ? 0.3793 0.4651 0.4851 -0.1046 0.0576  0.0368  6   DT  B C7    
417  C C6    . DT  B 5   ? 0.4042 0.4643 0.5002 -0.0858 0.0276  0.0127  6   DT  B C6    
418  P P     . DT  B 6   ? 0.3952 0.5088 0.5002 0.0234  -0.0471 -0.0987 7   DT  B P     
419  O OP1   . DT  B 6   ? 0.4999 0.6083 0.5948 0.0598  -0.0766 -0.1285 7   DT  B OP1   
420  O OP2   . DT  B 6   ? 0.4284 0.6113 0.5664 0.0114  -0.0185 -0.0967 7   DT  B OP2   
421  O "O5'" . DT  B 6   ? 0.4985 0.5495 0.5685 0.0130  -0.0565 -0.0834 7   DT  B "O5'" 
422  C "C5'" . DT  B 6   ? 0.4445 0.4179 0.4742 0.0129  -0.0810 -0.0767 7   DT  B "C5'" 
423  C "C4'" . DT  B 6   ? 0.4865 0.4175 0.4943 -0.0093 -0.0826 -0.0589 7   DT  B "C4'" 
424  O "O4'" . DT  B 6   ? 0.5075 0.4589 0.5317 -0.0403 -0.0549 -0.0332 7   DT  B "O4'" 
425  C "C3'" . DT  B 6   ? 0.4887 0.4385 0.5003 0.0006  -0.0859 -0.0727 7   DT  B "C3'" 
426  O "O3'" . DT  B 6   ? 0.5205 0.4010 0.4919 0.0114  -0.1201 -0.0824 7   DT  B "O3'" 
427  C "C2'" . DT  B 6   ? 0.4480 0.4194 0.4749 -0.0303 -0.0608 -0.0497 7   DT  B "C2'" 
428  C "C1'" . DT  B 6   ? 0.5316 0.4776 0.5520 -0.0554 -0.0526 -0.0254 7   DT  B "C1'" 
429  N N1    . DT  B 6   ? 0.4504 0.4353 0.4938 -0.0775 -0.0237 -0.0059 7   DT  B N1    
430  C C2    . DT  B 6   ? 0.4790 0.4453 0.5128 -0.1033 -0.0197 0.0139  7   DT  B C2    
431  O O2    . DT  B 6   ? 0.5761 0.4940 0.5833 -0.1155 -0.0368 0.0193  7   DT  B O2    
432  N N3    . DT  B 6   ? 0.4272 0.4340 0.4815 -0.1149 0.0041  0.0266  7   DT  B N3    
433  C C4    . DT  B 6   ? 0.4725 0.5217 0.5491 -0.1060 0.0222  0.0245  7   DT  B C4    
434  O O4    . DT  B 6   ? 0.4958 0.5685 0.5822 -0.1140 0.0386  0.0358  7   DT  B O4    
435  C C5    . DT  B 6   ? 0.4030 0.4674 0.4882 -0.0867 0.0192  0.0074  7   DT  B C5    
436  C C7    . DT  B 6   ? 0.2990 0.4066 0.4053 -0.0840 0.0388  0.0071  7   DT  B C7    
437  C C6    . DT  B 6   ? 0.3786 0.4172 0.4501 -0.0720 -0.0026 -0.0083 7   DT  B C6    
438  P P     . DC  B 7   ? 0.5825 0.4617 0.5445 0.0292  -0.1362 -0.1031 8   DC  B P     
439  O OP1   . DC  B 7   ? 0.7601 0.5682 0.6784 0.0576  -0.1789 -0.1244 8   DC  B OP1   
440  O OP2   . DC  B 7   ? 0.7509 0.7193 0.7503 0.0435  -0.1116 -0.1156 8   DC  B OP2   
441  O "O5'" . DC  B 7   ? 0.6892 0.5421 0.6452 -0.0092 -0.1305 -0.0795 8   DC  B "O5'" 
442  C "C5'" . DC  B 7   ? 0.7697 0.5537 0.6970 -0.0391 -0.1425 -0.0582 8   DC  B "C5'" 
443  C "C4'" . DC  B 7   ? 0.7129 0.5046 0.6502 -0.0761 -0.1304 -0.0392 8   DC  B "C4'" 
444  O "O4'" . DC  B 7   ? 0.6598 0.5147 0.6325 -0.0929 -0.0938 -0.0207 8   DC  B "O4'" 
445  C "C3'" . DC  B 7   ? 0.6950 0.5077 0.6396 -0.0657 -0.1372 -0.0563 8   DC  B "C3'" 
446  O "O3'" . DC  B 7   ? 0.8499 0.5981 0.7661 -0.0868 -0.1647 -0.0546 8   DC  B "O3'" 
447  C "C2'" . DC  B 7   ? 0.6952 0.5834 0.6790 -0.0801 -0.1016 -0.0428 8   DC  B "C2'" 
448  C "C1'" . DC  B 7   ? 0.6093 0.4993 0.6007 -0.1071 -0.0827 -0.0168 8   DC  B "C1'" 
449  N N1    . DC  B 7   ? 0.5210 0.4781 0.5454 -0.1083 -0.0491 -0.0066 8   DC  B N1    
450  C C2    . DC  B 7   ? 0.5078 0.4856 0.5448 -0.1350 -0.0318 0.0138  8   DC  B C2    
451  O O2    . DC  B 7   ? 0.5112 0.4615 0.5366 -0.1615 -0.0411 0.0241  8   DC  B O2    
452  N N3    . DC  B 7   ? 0.4700 0.4975 0.5296 -0.1314 -0.0064 0.0211  8   DC  B N3    
453  C C4    . DC  B 7   ? 0.4092 0.4625 0.4785 -0.1096 0.0035  0.0123  8   DC  B C4    
454  N N4    . DC  B 7   ? 0.3556 0.4445 0.4400 -0.1096 0.0255  0.0216  8   DC  B N4    
455  C C5    . DC  B 7   ? 0.4338 0.4783 0.4959 -0.0870 -0.0098 -0.0072 8   DC  B C5    
456  C C6    . DC  B 7   ? 0.4527 0.4504 0.4925 -0.0836 -0.0366 -0.0178 8   DC  B C6    
457  P P     . DT  B 8   ? 0.8890 0.6344 0.7999 -0.0751 -0.1850 -0.0765 9   DT  B P     
458  O OP1   . DT  B 8   ? 0.9200 0.5667 0.7837 -0.0811 -0.2286 -0.0843 9   DT  B OP1   
459  O OP2   . DT  B 8   ? 0.8192 0.6260 0.7468 -0.0322 -0.1744 -0.0996 9   DT  B OP2   
460  O "O5'" . DT  B 8   ? 0.8232 0.6144 0.7643 -0.1123 -0.1635 -0.0581 9   DT  B "O5'" 
461  C "C5'" . DT  B 8   ? 0.8486 0.6186 0.7893 -0.1591 -0.1596 -0.0324 9   DT  B "C5'" 
462  C "C4'" . DT  B 8   ? 0.7171 0.5639 0.6982 -0.1797 -0.1295 -0.0188 9   DT  B "C4'" 
463  O "O4'" . DT  B 8   ? 0.7044 0.6079 0.7086 -0.1616 -0.0975 -0.0121 9   DT  B "O4'" 
464  C "C3'" . DT  B 8   ? 0.7352 0.6179 0.7307 -0.1686 -0.1348 -0.0358 9   DT  B "C3'" 
465  O "O3'" . DT  B 8   ? 0.9020 0.7589 0.8937 -0.2035 -0.1557 -0.0348 9   DT  B "O3'" 
466  C "C2'" . DT  B 8   ? 0.7102 0.6749 0.7409 -0.1644 -0.0992 -0.0255 9   DT  B "C2'" 
467  C "C1'" . DT  B 8   ? 0.6353 0.6042 0.6691 -0.1646 -0.0773 -0.0087 9   DT  B "C1'" 
468  N N1    . DT  B 8   ? 0.5903 0.6043 0.6375 -0.1350 -0.0540 -0.0112 9   DT  B N1    
469  C C2    . DT  B 8   ? 0.5548 0.6175 0.6235 -0.1401 -0.0278 0.0028  9   DT  B C2    
470  O O2    . DT  B 8   ? 0.5744 0.6549 0.6549 -0.1633 -0.0217 0.0147  9   DT  B O2    
471  N N3    . DT  B 8   ? 0.4291 0.5200 0.5034 -0.1172 -0.0100 0.0015  9   DT  B N3    
472  C C4    . DT  B 8   ? 0.4616 0.5506 0.5281 -0.0927 -0.0121 -0.0122 9   DT  B C4    
473  O O4    . DT  B 8   ? 0.4964 0.6158 0.5697 -0.0802 0.0066  -0.0101 9   DT  B O4    
474  C C5    . DT  B 8   ? 0.5566 0.6057 0.6045 -0.0833 -0.0391 -0.0299 9   DT  B C5    
475  C C7    . DT  B 8   ? 0.4765 0.5332 0.5169 -0.0518 -0.0439 -0.0501 9   DT  B C7    
476  C C6    . DT  B 8   ? 0.5789 0.5860 0.6153 -0.1036 -0.0603 -0.0285 9   DT  B C6    
477  P P     . DC  B 9   ? 0.9342 0.8064 0.9310 -0.1943 -0.1752 -0.0574 10  DC  B P     
478  O OP1   . DC  B 9   ? 1.0160 0.8287 0.9962 -0.2330 -0.2077 -0.0584 10  DC  B OP1   
479  O OP2   . DC  B 9   ? 0.8692 0.7440 0.8516 -0.1429 -0.1808 -0.0811 10  DC  B OP2   
480  O "O5'" . DC  B 9   ? 0.7740 0.7368 0.8123 -0.2018 -0.1457 -0.0483 10  DC  B "O5'" 
481  C "C5'" . DC  B 9   ? 0.7299 0.7256 0.7921 -0.2403 -0.1275 -0.0261 10  DC  B "C5'" 
482  C "C4'" . DC  B 9   ? 0.6985 0.7787 0.7929 -0.2272 -0.1004 -0.0231 10  DC  B "C4'" 
483  O "O4'" . DC  B 9   ? 0.6108 0.7040 0.7017 -0.1957 -0.0766 -0.0171 10  DC  B "O4'" 
484  C "C3'" . DC  B 9   ? 0.6249 0.7375 0.7263 -0.2062 -0.1119 -0.0435 10  DC  B "C3'" 
485  O "O3'" . DC  B 9   ? 0.7064 0.8730 0.8381 -0.2315 -0.1115 -0.0426 10  DC  B "O3'" 
486  C "C2'" . DC  B 9   ? 0.6321 0.7768 0.7304 -0.1638 -0.0892 -0.0437 10  DC  B "C2'" 
487  C "C1'" . DC  B 9   ? 0.5509 0.6966 0.6537 -0.1701 -0.0640 -0.0228 10  DC  B "C1'" 
488  N N1    . DC  B 9   ? 0.6137 0.7569 0.7037 -0.1376 -0.0478 -0.0218 10  DC  B N1    
489  C C2    . DC  B 9   ? 0.5445 0.7242 0.6436 -0.1268 -0.0221 -0.0094 10  DC  B C2    
490  O O2    . DC  B 9   ? 0.5652 0.7800 0.6815 -0.1379 -0.0141 -0.0018 10  DC  B O2    
491  N N3    . DC  B 9   ? 0.4378 0.6146 0.5260 -0.1047 -0.0079 -0.0074 10  DC  B N3    
492  C C4    . DC  B 9   ? 0.4550 0.6069 0.5284 -0.0908 -0.0166 -0.0191 10  DC  B C4    
493  N N4    . DC  B 9   ? 0.4140 0.5760 0.4821 -0.0734 -0.0003 -0.0172 10  DC  B N4    
494  C C5    . DC  B 9   ? 0.4775 0.5936 0.5398 -0.0940 -0.0441 -0.0347 10  DC  B C5    
495  C C6    . DC  B 9   ? 0.5563 0.6630 0.6252 -0.1189 -0.0598 -0.0345 10  DC  B C6    
496  P P     . DT  B 10  ? 0.5956 0.8045 0.7380 -0.2130 -0.1258 -0.0642 11  DT  B P     
497  O OP1   . DT  B 10  ? 0.5709 0.8195 0.7450 -0.2537 -0.1362 -0.0662 11  DT  B OP1   
498  O OP2   . DT  B 10  ? 0.8216 0.9818 0.9324 -0.1848 -0.1485 -0.0840 11  DT  B OP2   
499  O "O5'" . DT  B 10  ? 0.5776 0.8420 0.7265 -0.1772 -0.0981 -0.0584 11  DT  B "O5'" 
500  C "C5'" . DT  B 10  ? 0.5457 0.8565 0.7175 -0.1878 -0.0746 -0.0422 11  DT  B "C5'" 
501  C "C4'" . DT  B 10  ? 0.4731 0.8184 0.6394 -0.1482 -0.0576 -0.0409 11  DT  B "C4'" 
502  O "O4'" . DT  B 10  ? 0.4730 0.7795 0.6141 -0.1282 -0.0419 -0.0303 11  DT  B "O4'" 
503  C "C3'" . DT  B 10  ? 0.5574 0.9194 0.7129 -0.1191 -0.0730 -0.0593 11  DT  B "C3'" 
504  O "O3'" . DT  B 10  ? 0.4792 0.9049 0.6575 -0.1144 -0.0746 -0.0655 11  DT  B "O3'" 
505  C "C2'" . DT  B 10  ? 0.5346 0.8720 0.6556 -0.0822 -0.0582 -0.0529 11  DT  B "C2'" 
506  C "C1'" . DT  B 10  ? 0.4999 0.8173 0.6219 -0.0924 -0.0356 -0.0329 11  DT  B "C1'" 
507  N N1    . DT  B 10  ? 0.4884 0.7661 0.5841 -0.0769 -0.0268 -0.0289 11  DT  B N1    
508  C C2    . DT  B 10  ? 0.4389 0.7161 0.5201 -0.0598 -0.0055 -0.0155 11  DT  B C2    
509  O O2    . DT  B 10  ? 0.4364 0.7338 0.5198 -0.0533 0.0043  -0.0067 11  DT  B O2    
510  N N3    . DT  B 10  ? 0.3915 0.6438 0.4548 -0.0506 0.0023  -0.0141 11  DT  B N3    
511  C C4    . DT  B 10  ? 0.4008 0.6313 0.4578 -0.0497 -0.0102 -0.0274 11  DT  B C4    
512  O O4    . DT  B 10  ? 0.3932 0.6148 0.4373 -0.0381 -0.0016 -0.0283 11  DT  B O4    
513  C C5    . DT  B 10  ? 0.4205 0.6406 0.4865 -0.0634 -0.0359 -0.0419 11  DT  B C5    
514  C C7    . DT  B 10  ? 0.4299 0.6147 0.4826 -0.0591 -0.0568 -0.0594 11  DT  B C7    
515  C C6    . DT  B 10  ? 0.4573 0.7008 0.5430 -0.0796 -0.0422 -0.0406 11  DT  B C6    
516  P P     . DT  B 11  ? 0.6923 1.1443 0.8611 -0.0838 -0.0942 -0.0864 12  DT  B P     
517  O OP1   . DT  B 11  ? 0.6278 1.1498 0.8363 -0.0984 -0.1057 -0.0991 12  DT  B OP1   
518  O OP2   . DT  B 11  ? 0.7067 1.1118 0.8504 -0.0777 -0.1123 -0.0988 12  DT  B OP2   
519  O "O5'" . DT  B 11  ? 0.5703 1.0196 0.7066 -0.0408 -0.0766 -0.0759 12  DT  B "O5'" 
520  C "C5'" . DT  B 11  ? 0.5398 1.0023 0.6818 -0.0382 -0.0556 -0.0597 12  DT  B "C5'" 
521  C "C4'" . DT  B 11  ? 0.5518 0.9822 0.6504 -0.0035 -0.0421 -0.0472 12  DT  B "C4'" 
522  O "O4'" . DT  B 11  ? 0.6238 1.0028 0.7024 -0.0104 -0.0296 -0.0355 12  DT  B "O4'" 
523  C "C3'" . DT  B 11  ? 0.5448 0.9775 0.6101 0.0323  -0.0558 -0.0576 12  DT  B "C3'" 
524  O "O3'" . DT  B 11  ? 0.6868 1.1292 0.7327 0.0612  -0.0525 -0.0520 12  DT  B "O3'" 
525  C "C2'" . DT  B 11  ? 0.5038 0.8862 0.5299 0.0402  -0.0471 -0.0495 12  DT  B "C2'" 
526  C "C1'" . DT  B 11  ? 0.4743 0.8299 0.5098 0.0181  -0.0254 -0.0314 12  DT  B "C1'" 
527  N N1    . DT  B 11  ? 0.5017 0.8248 0.5239 0.0118  -0.0198 -0.0302 12  DT  B N1    
528  C C2    . DT  B 11  ? 0.4427 0.7401 0.4382 0.0185  0.0008  -0.0140 12  DT  B C2    
529  O O2    . DT  B 11  ? 0.4974 0.7860 0.4752 0.0270  0.0134  0.0017  12  DT  B O2    
530  N N3    . DT  B 11  ? 0.3996 0.6821 0.3892 0.0149  0.0043  -0.0181 12  DT  B N3    
531  C C4    . DT  B 11  ? 0.4372 0.7172 0.4383 0.0097  -0.0136 -0.0372 12  DT  B C4    
532  O O4    . DT  B 11  ? 0.4503 0.7181 0.4423 0.0134  -0.0115 -0.0432 12  DT  B O4    
533  C C5    . DT  B 11  ? 0.4542 0.7481 0.4781 -0.0003 -0.0367 -0.0514 12  DT  B C5    
534  C C7    . DT  B 11  ? 0.4696 0.7487 0.5015 -0.0099 -0.0616 -0.0719 12  DT  B C7    
535  C C6    . DT  B 11  ? 0.4664 0.7866 0.5027 -0.0007 -0.0371 -0.0470 12  DT  B C6    
536  P P     . DT  B 12  ? 0.6846 1.1299 0.6895 0.1036  -0.0693 -0.0616 13  DT  B P     
537  O OP1   . DT  B 12  ? 0.4586 0.9504 0.4783 0.1237  -0.0802 -0.0718 13  DT  B OP1   
538  O OP2   . DT  B 12  ? 0.6806 1.1302 0.6828 0.1033  -0.0865 -0.0787 13  DT  B OP2   
539  O "O5'" . DT  B 12  ? 0.7200 1.1015 0.6646 0.1211  -0.0513 -0.0368 13  DT  B "O5'" 
540  C "C5'" . DT  B 12  ? 0.7054 1.0627 0.6411 0.1212  -0.0360 -0.0186 13  DT  B "C5'" 
541  C "C4'" . DT  B 12  ? 0.7033 0.9994 0.5922 0.1192  -0.0167 0.0056  13  DT  B "C4'" 
542  O "O4'" . DT  B 12  ? 0.7322 1.0248 0.6364 0.0940  -0.0062 0.0057  13  DT  B "O4'" 
543  C "C3'" . DT  B 12  ? 0.8211 1.0827 0.6425 0.1497  -0.0218 0.0137  13  DT  B "C3'" 
544  O "O3'" . DT  B 12  ? 0.8380 1.0445 0.6165 0.1528  -0.0093 0.0382  13  DT  B "O3'" 
545  C "C2'" . DT  B 12  ? 0.7154 0.9745 0.5258 0.1398  -0.0145 0.0128  13  DT  B "C2'" 
546  C "C1'" . DT  B 12  ? 0.7415 1.0038 0.5960 0.1044  0.0024  0.0166  13  DT  B "C1'" 
547  N N1    . DT  B 12  ? 0.6456 0.9220 0.5142 0.0933  0.0024  0.0043  13  DT  B N1    
548  C C2    . DT  B 12  ? 0.6666 0.9262 0.5228 0.0808  0.0227  0.0158  13  DT  B C2    
549  O O2    . DT  B 12  ? 0.7762 1.0101 0.6124 0.0729  0.0417  0.0374  13  DT  B O2    
550  N N3    . DT  B 12  ? 0.5415 0.8169 0.4095 0.0784  0.0178  -0.0009 13  DT  B N3    
551  C C4    . DT  B 12  ? 0.5706 0.8658 0.4578 0.0840  -0.0067 -0.0262 13  DT  B C4    
552  O O4    . DT  B 12  ? 0.5920 0.8913 0.4828 0.0845  -0.0133 -0.0418 13  DT  B O4    
553  C C5    . DT  B 12  ? 0.5976 0.9101 0.5002 0.0901  -0.0261 -0.0352 13  DT  B C5    
554  C C7    . DT  B 12  ? 0.4740 0.8105 0.4011 0.0902  -0.0546 -0.0626 13  DT  B C7    
555  C C6    . DT  B 12  ? 0.5199 0.8275 0.4143 0.0960  -0.0199 -0.0205 13  DT  B C6    
556  P P     . DT  B 13  ? 0.9675 1.1181 0.6617 0.1791  -0.0121 0.0559  14  DT  B P     
557  O OP1   . DT  B 13  ? 1.0100 1.1097 0.6712 0.1901  -0.0145 0.0711  14  DT  B OP1   
558  O OP2   . DT  B 13  ? 0.8475 1.0244 0.5239 0.2095  -0.0338 0.0375  14  DT  B OP2   
559  O "O5'" . DT  B 13  ? 0.9769 1.1046 0.6514 0.1513  0.0143  0.0754  14  DT  B "O5'" 
560  C "C5'" . DT  B 13  ? 0.9599 1.0841 0.6693 0.1166  0.0352  0.0852  14  DT  B "C5'" 
561  C "C4'" . DT  B 13  ? 0.9508 1.0590 0.6318 0.0965  0.0588  0.1033  14  DT  B "C4'" 
562  O "O4'" . DT  B 13  ? 0.8319 0.9886 0.5461 0.0905  0.0619  0.0851  14  DT  B "O4'" 
563  C "C3'" . DT  B 13  ? 0.9812 1.0496 0.5820 0.1119  0.0609  0.1225  14  DT  B "C3'" 
564  O "O3'" . DT  B 13  ? 0.8962 0.9314 0.4692 0.0827  0.0857  0.1499  14  DT  B "O3'" 
565  C "C2'" . DT  B 13  ? 0.9617 1.0733 0.5594 0.1266  0.0570  0.1051  14  DT  B "C2'" 
566  C "C1'" . DT  B 13  ? 0.9015 1.0589 0.5663 0.1028  0.0671  0.0894  14  DT  B "C1'" 
567  N N1    . DT  B 13  ? 0.8923 1.0945 0.5816 0.1179  0.0514  0.0603  14  DT  B N1    
568  C C2    . DT  B 13  ? 0.8889 1.1210 0.5974 0.1078  0.0619  0.0498  14  DT  B C2    
569  O O2    . DT  B 13  ? 0.9000 1.1337 0.6100 0.0872  0.0855  0.0627  14  DT  B O2    
570  N N3    . DT  B 13  ? 0.7961 1.0575 0.5213 0.1242  0.0414  0.0211  14  DT  B N3    
571  C C4    . DT  B 13  ? 0.7377 1.0068 0.4677 0.1443  0.0131  0.0027  14  DT  B C4    
572  O O4    . DT  B 13  ? 0.6979 0.9898 0.4430 0.1545  -0.0064 -0.0235 14  DT  B O4    
573  C C5    . DT  B 13  ? 0.7443 0.9932 0.4597 0.1537  0.0055  0.0141  14  DT  B C5    
574  C C7    . DT  B 13  ? 0.7390 1.0076 0.4636 0.1767  -0.0252 -0.0075 14  DT  B C7    
575  C C6    . DT  B 13  ? 0.8195 1.0333 0.5131 0.1426  0.0240  0.0416  14  DT  B C6    
576  P P     . DC  B 14  ? 1.3060 1.2801 0.7859 0.0849  0.0928  0.1813  15  DC  B P     
577  O OP1   . DC  B 14  ? 1.3322 1.2447 0.7928 0.0594  0.1006  0.2066  15  DC  B OP1   
578  O OP2   . DC  B 14  ? 1.1295 1.0890 0.5624 0.1280  0.0676  0.1734  15  DC  B OP2   
579  O "O5'" . DC  B 14  ? 1.2491 1.2652 0.7226 0.0650  0.1201  0.1868  15  DC  B "O5'" 
580  C "C5'" . DC  B 14  ? 1.1823 1.2539 0.7232 0.0399  0.1368  0.1740  15  DC  B "C5'" 
581  C "C4'" . DC  B 14  ? 1.1777 1.3024 0.7091 0.0393  0.1544  0.1684  15  DC  B "C4'" 
582  O "O4'" . DC  B 14  ? 1.0918 1.2608 0.6530 0.0694  0.1348  0.1345  15  DC  B "O4'" 
583  C "C3'" . DC  B 14  ? 1.1748 1.2670 0.6334 0.0390  0.1606  0.1864  15  DC  B "C3'" 
584  O "O3'" . DC  B 14  ? 1.2361 1.3594 0.7035 0.0103  0.1863  0.1872  15  DC  B "O3'" 
585  C "C2'" . DC  B 14  ? 1.1872 1.3004 0.6244 0.0842  0.1394  0.1658  15  DC  B "C2'" 
586  C "C1'" . DC  B 14  ? 1.0909 1.2722 0.5964 0.0916  0.1361  0.1343  15  DC  B "C1'" 
587  N N1    . DC  B 14  ? 1.0526 1.2516 0.5702 0.1281  0.1050  0.1032  15  DC  B N1    
588  C C2    . DC  B 14  ? 0.9700 1.2219 0.5206 0.1395  0.0990  0.0726  15  DC  B C2    
589  O O2    . DC  B 14  ? 0.9630 1.2499 0.5322 0.1239  0.1197  0.0702  15  DC  B O2    
590  N N3    . DC  B 14  ? 0.8810 1.1442 0.4417 0.1681  0.0682  0.0442  15  DC  B N3    
591  C C4    . DC  B 14  ? 0.9206 1.1565 0.4651 0.1859  0.0459  0.0446  15  DC  B C4    
592  N N4    . DC  B 14  ? 0.8934 1.1494 0.4540 0.2103  0.0153  0.0145  15  DC  B N4    
593  C C5    . DC  B 14  ? 1.0103 1.1967 0.5205 0.1806  0.0514  0.0737  15  DC  B C5    
594  C C6    . DC  B 14  ? 1.0907 1.2545 0.5859 0.1512  0.0802  0.1028  15  DC  B C6    
595  P P     . DA  B 15  ? 1.2637 1.3355 0.6814 -0.0313 0.2077  0.2174  16  DA  B P     
596  O OP1   . DA  B 15  ? 1.2719 1.3042 0.7137 -0.0607 0.2116  0.2299  16  DA  B OP1   
597  O OP2   . DA  B 15  ? 1.1613 1.1876 0.4990 -0.0186 0.1958  0.2350  16  DA  B OP2   
598  O "O5'" . DA  B 15  ? 1.3917 1.5264 0.8357 -0.0444 0.2354  0.2049  16  DA  B "O5'" 
599  C "C5'" . DA  B 15  ? 1.2101 1.4205 0.7284 -0.0330 0.2348  0.1749  16  DA  B "C5'" 
600  C "C4'" . DA  B 15  ? 1.1753 1.4427 0.6863 -0.0029 0.2324  0.1530  16  DA  B "C4'" 
601  O "O4'" . DA  B 15  ? 1.1905 1.4524 0.6870 0.0367  0.2041  0.1398  16  DA  B "O4'" 
602  C "C3'" . DA  B 15  ? 1.0738 1.3333 0.5225 -0.0104 0.2508  0.1684  16  DA  B "C3'" 
603  O "O3'" . DA  B 15  ? 1.0948 1.4283 0.5726 -0.0068 0.2661  0.1493  16  DA  B "O3'" 
604  C "C2'" . DA  B 15  ? 1.1652 1.4005 0.5589 0.0255  0.2277  0.1670  16  DA  B "C2'" 
605  C "C1'" . DA  B 15  ? 1.0424 1.3107 0.4881 0.0594  0.2016  0.1369  16  DA  B "C1'" 
606  N N9    . DA  B 15  ? 1.1520 1.3864 0.5651 0.0934  0.1729  0.1341  16  DA  B N9    
607  C C8    . DA  B 15  ? 1.2166 1.3837 0.5763 0.0938  0.1634  0.1585  16  DA  B C8    
608  N N7    . DA  B 15  ? 1.2337 1.3892 0.5794 0.1333  0.1340  0.1447  16  DA  B N7    
609  C C5    . DA  B 15  ? 1.1672 1.3834 0.5573 0.1558  0.1238  0.1099  16  DA  B C5    
610  C C6    . DA  B 15  ? 1.0733 1.3087 0.4746 0.1948  0.0923  0.0788  16  DA  B C6    
611  N N6    . DA  B 15  ? 0.9718 1.1743 0.3451 0.2212  0.0657  0.0768  16  DA  B N6    
612  N N1    . DA  B 15  ? 0.9658 1.2544 0.4091 0.2054  0.0857  0.0468  16  DA  B N1    
613  C C2    . DA  B 15  ? 0.9291 1.2528 0.4023 0.1840  0.1092  0.0455  16  DA  B C2    
614  N N3    . DA  B 15  ? 0.9935 1.3127 0.4664 0.1486  0.1404  0.0712  16  DA  B N3    
615  C C4    . DA  B 15  ? 1.1108 1.3734 0.5404 0.1334  0.1466  0.1034  16  DA  B C4    
616  N N     . ALA C 9   ? 0.6683 0.6362 0.6012 0.0752  -0.2802 0.1619  170 ALA C N     
617  C CA    . ALA C 9   ? 0.6410 0.6092 0.5918 0.0668  -0.2465 0.1515  170 ALA C CA    
618  C C     . ALA C 9   ? 0.6742 0.6877 0.6764 0.0680  -0.2337 0.1254  170 ALA C C     
619  O O     . ALA C 9   ? 0.6114 0.6488 0.6061 0.0573  -0.2288 0.1138  170 ALA C O     
620  C CB    . ALA C 9   ? 0.8137 0.7642 0.7124 0.0448  -0.2233 0.1580  170 ALA C CB    
621  N N     . ARG C 10  ? 0.6471 0.6686 0.6981 0.0804  -0.2277 0.1161  171 ARG C N     
622  C CA    . ARG C 10  ? 0.4628 0.5248 0.5612 0.0815  -0.2143 0.0932  171 ARG C CA    
623  C C     . ARG C 10  ? 0.4777 0.5407 0.5670 0.0652  -0.1830 0.0838  171 ARG C C     
624  O O     . ARG C 10  ? 0.4744 0.5097 0.5361 0.0567  -0.1700 0.0930  171 ARG C O     
625  C CB    . ARG C 10  ? 0.4559 0.5266 0.6071 0.1019  -0.2180 0.0856  171 ARG C CB    
626  C CG    . ARG C 10  ? 0.6033 0.6941 0.7858 0.1213  -0.2476 0.0870  171 ARG C CG    
627  C CD    . ARG C 10  ? 0.5496 0.6585 0.7913 0.1416  -0.2437 0.0735  171 ARG C CD    
628  N NE    . ARG C 10  ? 0.6564 0.8025 0.9403 0.1578  -0.2647 0.0686  171 ARG C NE    
629  C CZ    . ARG C 10  ? 0.6500 0.8262 0.9850 0.1712  -0.2537 0.0527  171 ARG C CZ    
630  N NH1   . ARG C 10  ? 0.6093 0.7819 0.9653 0.1753  -0.2311 0.0401  171 ARG C NH1   
631  N NH2   . ARG C 10  ? 0.5498 0.7611 0.9139 0.1802  -0.2653 0.0494  171 ARG C NH2   
632  N N     . LYS C 11  ? 0.4439 0.5402 0.5584 0.0605  -0.1718 0.0658  172 LYS C N     
633  C CA    . LYS C 11  ? 0.3943 0.4950 0.5045 0.0477  -0.1451 0.0559  172 LYS C CA    
634  C C     . LYS C 11  ? 0.3748 0.4884 0.5261 0.0546  -0.1322 0.0431  172 LYS C C     
635  O O     . LYS C 11  ? 0.3160 0.4508 0.5051 0.0662  -0.1401 0.0352  172 LYS C O     
636  C CB    . LYS C 11  ? 0.3416 0.4628 0.4426 0.0361  -0.1413 0.0458  172 LYS C CB    
637  C CG    . LYS C 11  ? 0.3776 0.4992 0.4701 0.0249  -0.1160 0.0374  172 LYS C CG    
638  C CD    . LYS C 11  ? 0.4440 0.5807 0.5302 0.0153  -0.1138 0.0262  172 LYS C CD    
639  C CE    . LYS C 11  ? 0.3452 0.5095 0.4738 0.0163  -0.1125 0.0126  172 LYS C CE    
640  N NZ    . LYS C 11  ? 0.2549 0.4206 0.3978 0.0149  -0.0905 0.0058  172 LYS C NZ    
641  N N     . LYS C 12  ? 0.3559 0.4589 0.4997 0.0474  -0.1121 0.0405  173 LYS C N     
642  C CA    . LYS C 12  ? 0.3272 0.4389 0.4999 0.0516  -0.0986 0.0279  173 LYS C CA    
643  C C     . LYS C 12  ? 0.3658 0.4873 0.5307 0.0389  -0.0792 0.0197  173 LYS C C     
644  O O     . LYS C 12  ? 0.3045 0.4181 0.4415 0.0288  -0.0737 0.0253  173 LYS C O     
645  C CB    . LYS C 12  ? 0.3551 0.4383 0.5267 0.0571  -0.0973 0.0329  173 LYS C CB    
646  C CG    . LYS C 12  ? 0.3795 0.4512 0.5682 0.0748  -0.1152 0.0373  173 LYS C CG    
647  C CD    . LYS C 12  ? 0.4373 0.4724 0.6202 0.0783  -0.1137 0.0417  173 LYS C CD    
648  C CE    . LYS C 12  ? 0.5074 0.5272 0.7096 0.0996  -0.1313 0.0445  173 LYS C CE    
649  N NZ    . LYS C 12  ? 0.5349 0.5095 0.7260 0.1017  -0.1317 0.0499  173 LYS C NZ    
650  N N     . LEU C 13  ? 0.2956 0.4339 0.4845 0.0406  -0.0684 0.0065  174 LEU C N     
651  C CA    . LEU C 13  ? 0.3016 0.4467 0.4825 0.0302  -0.0522 -0.0002 174 LEU C CA    
652  C C     . LEU C 13  ? 0.3270 0.4533 0.4872 0.0245  -0.0437 0.0052  174 LEU C C     
653  O O     . LEU C 13  ? 0.3076 0.4169 0.4666 0.0275  -0.0464 0.0100  174 LEU C O     
654  C CB    . LEU C 13  ? 0.2560 0.4182 0.4617 0.0324  -0.0415 -0.0133 174 LEU C CB    
655  C CG    . LEU C 13  ? 0.3150 0.5053 0.5462 0.0325  -0.0436 -0.0211 174 LEU C CG    
656  C CD1   . LEU C 13  ? 0.2387 0.4428 0.4846 0.0299  -0.0265 -0.0326 174 LEU C CD1   
657  C CD2   . LEU C 13  ? 0.2275 0.4221 0.4437 0.0217  -0.0485 -0.0185 174 LEU C CD2   
658  N N     . ARG C 14  ? 0.2732 0.4026 0.4189 0.0162  -0.0340 0.0042  175 ARG C N     
659  C CA    . ARG C 14  ? 0.2524 0.3736 0.3875 0.0113  -0.0249 0.0065  175 ARG C CA    
660  C C     . ARG C 14  ? 0.2434 0.3701 0.3885 0.0116  -0.0163 -0.0031 175 ARG C C     
661  O O     . ARG C 14  ? 0.2134 0.3511 0.3676 0.0124  -0.0128 -0.0107 175 ARG C O     
662  C CB    . ARG C 14  ? 0.2897 0.4123 0.4057 0.0054  -0.0193 0.0103  175 ARG C CB    
663  C CG    . ARG C 14  ? 0.3309 0.4477 0.4295 0.0041  -0.0262 0.0185  175 ARG C CG    
664  C CD    . ARG C 14  ? 0.4393 0.5564 0.5174 -0.0006 -0.0171 0.0205  175 ARG C CD    
665  N NE    . ARG C 14  ? 0.5694 0.6884 0.6509 -0.0033 -0.0074 0.0234  175 ARG C NE    
666  C CZ    . ARG C 14  ? 0.5223 0.6441 0.5914 -0.0068 0.0015  0.0279  175 ARG C CZ    
667  N NH1   . ARG C 14  ? 0.4381 0.5567 0.4846 -0.0080 0.0033  0.0299  175 ARG C NH1   
668  N NH2   . ARG C 14  ? 0.4697 0.5996 0.5499 -0.0096 0.0088  0.0297  175 ARG C NH2   
669  N N     . LEU C 15  ? 0.2650 0.3838 0.4068 0.0092  -0.0131 -0.0024 176 LEU C N     
670  C CA    . LEU C 15  ? 0.3213 0.4420 0.4661 0.0091  -0.0069 -0.0112 176 LEU C CA    
671  C C     . LEU C 15  ? 0.3210 0.4509 0.4594 0.0066  0.0004  -0.0142 176 LEU C C     
672  O O     . LEU C 15  ? 0.3252 0.4591 0.4662 0.0069  0.0061  -0.0215 176 LEU C O     
673  C CB    . LEU C 15  ? 0.2962 0.4080 0.4359 0.0046  -0.0076 -0.0096 176 LEU C CB    
674  C CG    . LEU C 15  ? 0.3532 0.4626 0.4902 0.0041  -0.0043 -0.0192 176 LEU C CG    
675  C CD1   . LEU C 15  ? 0.1973 0.3044 0.3424 0.0111  -0.0016 -0.0294 176 LEU C CD1   
676  C CD2   . LEU C 15  ? 0.2884 0.3877 0.4225 -0.0019 -0.0093 -0.0185 176 LEU C CD2   
677  N N     . TYR C 16  ? 0.2911 0.4222 0.4195 0.0040  0.0016  -0.0086 177 TYR C N     
678  C CA    . TYR C 16  ? 0.3336 0.4662 0.4537 0.0026  0.0075  -0.0107 177 TYR C CA    
679  C C     . TYR C 16  ? 0.2663 0.4028 0.3905 0.0008  0.0087  -0.0150 177 TYR C C     
680  O O     . TYR C 16  ? 0.3364 0.4719 0.4567 -0.0027 0.0147  -0.0183 177 TYR C O     
681  C CB    . TYR C 16  ? 0.2627 0.3941 0.3730 0.0031  0.0089  -0.0055 177 TYR C CB    
682  C CG    . TYR C 16  ? 0.2891 0.4199 0.3937 0.0029  0.0077  -0.0033 177 TYR C CG    
683  C CD1   . TYR C 16  ? 0.2805 0.4069 0.3771 0.0016  0.0091  -0.0071 177 TYR C CD1   
684  C CD2   . TYR C 16  ? 0.2584 0.3903 0.3616 0.0024  0.0050  0.0026  177 TYR C CD2   
685  C CE1   . TYR C 16  ? 0.3205 0.4443 0.4068 0.0006  0.0067  -0.0069 177 TYR C CE1   
686  C CE2   . TYR C 16  ? 0.3232 0.4526 0.4140 0.0017  0.0039  0.0046  177 TYR C CE2   
687  C CZ    . TYR C 16  ? 0.3807 0.5064 0.4624 0.0012  0.0041  -0.0010 177 TYR C CZ    
688  O OH    . TYR C 16  ? 0.4356 0.5568 0.5002 -0.0003 0.0017  -0.0006 177 TYR C OH    
689  N N     . GLN C 17  ? 0.2438 0.3847 0.3755 0.0017  0.0020  -0.0141 178 GLN C N     
690  C CA    . GLN C 17  ? 0.2775 0.4278 0.4194 -0.0011 0.0004  -0.0190 178 GLN C CA    
691  C C     . GLN C 17  ? 0.2284 0.3901 0.3895 0.0001  0.0050  -0.0259 178 GLN C C     
692  O O     . GLN C 17  ? 0.2698 0.4398 0.4368 -0.0060 0.0118  -0.0309 178 GLN C O     
693  C CB    . GLN C 17  ? 0.2476 0.4011 0.3923 0.0009  -0.0115 -0.0158 178 GLN C CB    
694  C CG    . GLN C 17  ? 0.2748 0.4185 0.3967 -0.0019 -0.0137 -0.0116 178 GLN C CG    
695  C CD    . GLN C 17  ? 0.3088 0.4518 0.4253 0.0000  -0.0261 -0.0062 178 GLN C CD    
696  O OE1   . GLN C 17  ? 0.2724 0.4162 0.3992 0.0055  -0.0331 -0.0018 178 GLN C OE1   
697  N NE2   . GLN C 17  ? 0.3073 0.4455 0.4043 -0.0041 -0.0297 -0.0067 178 GLN C NE2   
698  N N     . PHE C 18  ? 0.2139 0.3749 0.3842 0.0074  0.0027  -0.0268 179 PHE C N     
699  C CA    . PHE C 18  ? 0.1871 0.3577 0.3742 0.0110  0.0094  -0.0357 179 PHE C CA    
700  C C     . PHE C 18  ? 0.2313 0.3997 0.4051 0.0045  0.0228  -0.0396 179 PHE C C     
701  O O     . PHE C 18  ? 0.2485 0.4301 0.4319 0.0004  0.0325  -0.0458 179 PHE C O     
702  C CB    . PHE C 18  ? 0.2480 0.4084 0.4397 0.0202  0.0047  -0.0367 179 PHE C CB    
703  C CG    . PHE C 18  ? 0.1912 0.3561 0.3939 0.0256  0.0140  -0.0483 179 PHE C CG    
704  C CD1   . PHE C 18  ? 0.2176 0.4010 0.4491 0.0337  0.0152  -0.0558 179 PHE C CD1   
705  C CD2   . PHE C 18  ? 0.2704 0.4221 0.4548 0.0232  0.0211  -0.0526 179 PHE C CD2   
706  C CE1   . PHE C 18  ? 0.3127 0.5015 0.5545 0.0402  0.0267  -0.0685 179 PHE C CE1   
707  C CE2   . PHE C 18  ? 0.3208 0.4741 0.5095 0.0281  0.0310  -0.0652 179 PHE C CE2   
708  C CZ    . PHE C 18  ? 0.3073 0.4791 0.5248 0.0371  0.0355  -0.0737 179 PHE C CZ    
709  N N     . LEU C 19  ? 0.3090 0.4617 0.4607 0.0028  0.0231  -0.0354 180 LEU C N     
710  C CA    . LEU C 19  ? 0.2540 0.4005 0.3872 -0.0024 0.0324  -0.0369 180 LEU C CA    
711  C C     . LEU C 19  ? 0.2473 0.3946 0.3742 -0.0107 0.0384  -0.0344 180 LEU C C     
712  O O     . LEU C 19  ? 0.2533 0.4042 0.3772 -0.0170 0.0495  -0.0381 180 LEU C O     
713  C CB    . LEU C 19  ? 0.2364 0.3694 0.3512 -0.0016 0.0270  -0.0314 180 LEU C CB    
714  C CG    . LEU C 19  ? 0.2757 0.4035 0.3922 0.0022  0.0220  -0.0351 180 LEU C CG    
715  C CD1   . LEU C 19  ? 0.2538 0.3748 0.3584 0.0005  0.0149  -0.0290 180 LEU C CD1   
716  C CD2   . LEU C 19  ? 0.2059 0.3322 0.3169 0.0025  0.0303  -0.0458 180 LEU C CD2   
717  N N     . LEU C 20  ? 0.2264 0.3680 0.3488 -0.0119 0.0322  -0.0285 181 LEU C N     
718  C CA    . LEU C 20  ? 0.2930 0.4282 0.4069 -0.0205 0.0365  -0.0269 181 LEU C CA    
719  C C     . LEU C 20  ? 0.2090 0.3614 0.3427 -0.0286 0.0420  -0.0329 181 LEU C C     
720  O O     . LEU C 20  ? 0.2888 0.4375 0.4160 -0.0394 0.0514  -0.0330 181 LEU C O     
721  C CB    . LEU C 20  ? 0.2738 0.3995 0.3806 -0.0188 0.0290  -0.0229 181 LEU C CB    
722  C CG    . LEU C 20  ? 0.3426 0.4540 0.4374 -0.0270 0.0316  -0.0226 181 LEU C CG    
723  C CD1   . LEU C 20  ? 0.2265 0.3203 0.3021 -0.0309 0.0395  -0.0186 181 LEU C CD1   
724  C CD2   . LEU C 20  ? 0.2505 0.3498 0.3341 -0.0222 0.0256  -0.0210 181 LEU C CD2   
725  N N     . GLY C 21  ? 0.2162 0.3878 0.3754 -0.0239 0.0358  -0.0371 182 GLY C N     
726  C CA    . GLY C 21  ? 0.2117 0.4077 0.3983 -0.0301 0.0395  -0.0436 182 GLY C CA    
727  C C     . GLY C 21  ? 0.2578 0.4653 0.4511 -0.0330 0.0558  -0.0494 182 GLY C C     
728  O O     . GLY C 21  ? 0.4019 0.6237 0.6068 -0.0451 0.0661  -0.0526 182 GLY C O     
729  N N     . LEU C 22  ? 0.2611 0.4622 0.4458 -0.0235 0.0592  -0.0515 183 LEU C N     
730  C CA    . LEU C 22  ? 0.3074 0.5153 0.4896 -0.0259 0.0764  -0.0583 183 LEU C CA    
731  C C     . LEU C 22  ? 0.2766 0.4693 0.4294 -0.0404 0.0879  -0.0529 183 LEU C C     
732  O O     . LEU C 22  ? 0.3241 0.5291 0.4800 -0.0502 0.1048  -0.0569 183 LEU C O     
733  C CB    . LEU C 22  ? 0.2194 0.4154 0.3893 -0.0142 0.0752  -0.0622 183 LEU C CB    
734  C CG    . LEU C 22  ? 0.3545 0.5658 0.5532 -0.0007 0.0746  -0.0727 183 LEU C CG    
735  C CD1   . LEU C 22  ? 0.4416 0.6674 0.6719 0.0058  0.0601  -0.0703 183 LEU C CD1   
736  C CD2   . LEU C 22  ? 0.2451 0.4342 0.4252 0.0081  0.0694  -0.0752 183 LEU C CD2   
737  N N     . LEU C 23  ? 0.3033 0.4690 0.4276 -0.0416 0.0796  -0.0432 184 LEU C N     
738  C CA    . LEU C 23  ? 0.3625 0.5068 0.4548 -0.0528 0.0879  -0.0360 184 LEU C CA    
739  C C     . LEU C 23  ? 0.3329 0.4789 0.4329 -0.0684 0.0934  -0.0338 184 LEU C C     
740  O O     . LEU C 23  ? 0.3654 0.5052 0.4508 -0.0823 0.1077  -0.0311 184 LEU C O     
741  C CB    . LEU C 23  ? 0.2992 0.4158 0.3637 -0.0460 0.0758  -0.0268 184 LEU C CB    
742  C CG    . LEU C 23  ? 0.3336 0.4475 0.3882 -0.0349 0.0698  -0.0284 184 LEU C CG    
743  C CD1   . LEU C 23  ? 0.3318 0.4299 0.3738 -0.0273 0.0558  -0.0202 184 LEU C CD1   
744  C CD2   . LEU C 23  ? 0.4225 0.5293 0.4506 -0.0397 0.0809  -0.0299 184 LEU C CD2   
745  N N     . LEU C 24  ? 0.2581 0.4107 0.3781 -0.0681 0.0822  -0.0349 185 LEU C N     
746  C CA    . LEU C 24  ? 0.2854 0.4358 0.4106 -0.0849 0.0845  -0.0340 185 LEU C CA    
747  C C     . LEU C 24  ? 0.3436 0.5287 0.5010 -0.0974 0.0975  -0.0413 185 LEU C C     
748  O O     . LEU C 24  ? 0.3279 0.5092 0.4816 -0.1169 0.1088  -0.0392 185 LEU C O     
749  C CB    . LEU C 24  ? 0.2982 0.4459 0.4322 -0.0814 0.0678  -0.0351 185 LEU C CB    
750  C CG    . LEU C 24  ? 0.4033 0.5197 0.5086 -0.0704 0.0581  -0.0289 185 LEU C CG    
751  C CD1   . LEU C 24  ? 0.4168 0.5357 0.5303 -0.0663 0.0441  -0.0321 185 LEU C CD1   
752  C CD2   . LEU C 24  ? 0.2840 0.3642 0.3576 -0.0785 0.0633  -0.0218 185 LEU C CD2   
753  N N     . ARG C 25  ? 0.2775 0.4966 0.4684 -0.0865 0.0967  -0.0499 186 ARG C N     
754  C CA    . ARG C 25  ? 0.3137 0.5732 0.5433 -0.0950 0.1094  -0.0584 186 ARG C CA    
755  C C     . ARG C 25  ? 0.2950 0.5598 0.5137 -0.0990 0.1334  -0.0610 186 ARG C C     
756  O O     . ARG C 25  ? 0.2967 0.5950 0.5446 -0.1098 0.1498  -0.0676 186 ARG C O     
757  C CB    . ARG C 25  ? 0.3250 0.6186 0.5975 -0.0786 0.0978  -0.0669 186 ARG C CB    
758  C CG    . ARG C 25  ? 0.3381 0.6315 0.6216 -0.0763 0.0743  -0.0648 186 ARG C CG    
759  C CD    . ARG C 25  ? 0.2141 0.5426 0.5409 -0.0610 0.0624  -0.0715 186 ARG C CD    
760  N NE    . ARG C 25  ? 0.3062 0.6279 0.6287 -0.0400 0.0625  -0.0730 186 ARG C NE    
761  C CZ    . ARG C 25  ? 0.3413 0.6381 0.6436 -0.0271 0.0475  -0.0673 186 ARG C CZ    
762  N NH1   . ARG C 25  ? 0.3230 0.6012 0.6062 -0.0309 0.0326  -0.0601 186 ARG C NH1   
763  N NH2   . ARG C 25  ? 0.3283 0.6178 0.6283 -0.0110 0.0486  -0.0696 186 ARG C NH2   
764  N N     . GLY C 26  ? 0.3669 0.6017 0.5447 -0.0914 0.1359  -0.0565 187 GLY C N     
765  C CA    . GLY C 26  ? 0.3092 0.5457 0.4686 -0.0948 0.1576  -0.0598 187 GLY C CA    
766  C C     . GLY C 26  ? 0.3937 0.6579 0.5782 -0.0786 0.1643  -0.0739 187 GLY C C     
767  O O     . GLY C 26  ? 0.4979 0.7779 0.6818 -0.0831 0.1871  -0.0814 187 GLY C O     
768  N N     . ASP C 27  ? 0.3607 0.6290 0.5655 -0.0598 0.1460  -0.0779 188 ASP C N     
769  C CA    . ASP C 27  ? 0.2793 0.5654 0.5058 -0.0418 0.1497  -0.0912 188 ASP C CA    
770  C C     . ASP C 27  ? 0.3280 0.5822 0.5118 -0.0336 0.1497  -0.0925 188 ASP C C     
771  O O     . ASP C 27  ? 0.3506 0.5734 0.5006 -0.0351 0.1364  -0.0820 188 ASP C O     
772  C CB    . ASP C 27  ? 0.2877 0.5867 0.5517 -0.0261 0.1286  -0.0931 188 ASP C CB    
773  C CG    . ASP C 27  ? 0.2832 0.6151 0.5894 -0.0340 0.1238  -0.0925 188 ASP C CG    
774  O OD1   . ASP C 27  ? 0.3001 0.6580 0.6233 -0.0485 0.1417  -0.0962 188 ASP C OD1   
775  O OD2   . ASP C 27  ? 0.3911 0.7232 0.7123 -0.0270 0.1018  -0.0883 188 ASP C OD2   
776  N N     . MET C 28  ? 0.3351 0.5993 0.5226 -0.0244 0.1642  -0.1067 189 MET C N     
777  C CA    . MET C 28  ? 0.3422 0.5777 0.4916 -0.0163 0.1632  -0.1120 189 MET C CA    
778  C C     . MET C 28  ? 0.5115 0.7158 0.6056 -0.0300 0.1628  -0.1002 189 MET C C     
779  O O     . MET C 28  ? 0.4667 0.6435 0.5336 -0.0261 0.1460  -0.0948 189 MET C O     
780  C CB    . MET C 28  ? 0.3381 0.5589 0.4979 -0.0002 0.1398  -0.1123 189 MET C CB    
781  C CG    . MET C 28  ? 0.2956 0.5419 0.5083 0.0143  0.1342  -0.1191 189 MET C CG    
782  S SD    . MET C 28  ? 0.4093 0.6301 0.6258 0.0322  0.1102  -0.1194 189 MET C SD    
783  C CE    . MET C 28  ? 0.3920 0.5976 0.5905 0.0430  0.1247  -0.1397 189 MET C CE    
784  N N     . ARG C 29  ? 0.5255 0.7349 0.6044 -0.0467 0.1811  -0.0955 190 ARG C N     
785  C CA    . ARG C 29  ? 0.5043 0.6812 0.5286 -0.0590 0.1801  -0.0822 190 ARG C CA    
786  C C     . ARG C 29  ? 0.4951 0.6506 0.4736 -0.0548 0.1831  -0.0890 190 ARG C C     
787  O O     . ARG C 29  ? 0.5591 0.6844 0.4934 -0.0586 0.1714  -0.0780 190 ARG C O     
788  C CB    . ARG C 29  ? 0.5016 0.6844 0.5165 -0.0797 0.2006  -0.0747 190 ARG C CB    
789  C CG    . ARG C 29  ? 0.6525 0.8496 0.7041 -0.0886 0.1955  -0.0670 190 ARG C CG    
790  C CD    . ARG C 29  ? 0.7787 0.9763 0.8165 -0.1127 0.2166  -0.0592 190 ARG C CD    
791  N NE    . ARG C 29  ? 0.7518 0.9929 0.8438 -0.1216 0.2298  -0.0668 190 ARG C NE    
792  C CZ    . ARG C 29  ? 0.8586 1.1272 0.9671 -0.1231 0.2498  -0.0756 190 ARG C CZ    
793  N NH1   . ARG C 29  ? 0.7904 1.0492 0.8632 -0.1196 0.2650  -0.0804 190 ARG C NH1   
794  N NH2   . ARG C 29  ? 0.7724 1.0757 0.9316 -0.1266 0.2508  -0.0785 190 ARG C NH2   
795  N N     . GLU C 30  ? 0.4990 0.6692 0.4868 -0.0464 0.1978  -0.1077 191 GLU C N     
796  C CA    . GLU C 30  ? 0.6150 0.7623 0.5587 -0.0416 0.1983  -0.1178 191 GLU C CA    
797  C C     . GLU C 30  ? 0.5748 0.7025 0.5189 -0.0294 0.1702  -0.1185 191 GLU C C     
798  O O     . GLU C 30  ? 0.6798 0.7852 0.5859 -0.0275 0.1649  -0.1259 191 GLU C O     
799  C CB    . GLU C 30  ? 0.5814 0.7480 0.5353 -0.0347 0.2242  -0.1405 191 GLU C CB    
800  C CG    . GLU C 30  ? 0.6998 0.8977 0.7204 -0.0188 0.2251  -0.1524 191 GLU C CG    
801  C CD    . GLU C 30  ? 0.7992 1.0366 0.8656 -0.0266 0.2397  -0.1480 191 GLU C CD    
802  O OE1   . GLU C 30  ? 0.7750 1.0213 0.8261 -0.0401 0.2611  -0.1452 191 GLU C OE1   
803  O OE2   . GLU C 30  ? 0.6602 0.9150 0.7752 -0.0198 0.2246  -0.1438 191 GLU C OE2   
804  N N     . CYS C 31  ? 0.4380 0.5736 0.4223 -0.0230 0.1526  -0.1113 192 CYS C N     
805  C CA    . CYS C 31  ? 0.5497 0.6698 0.5390 -0.0137 0.1283  -0.1107 192 CYS C CA    
806  C C     . CYS C 31  ? 0.5039 0.6120 0.4837 -0.0189 0.1081  -0.0917 192 CYS C C     
807  O O     . CYS C 31  ? 0.5256 0.6171 0.4895 -0.0170 0.0906  -0.0895 192 CYS C O     
808  C CB    . CYS C 31  ? 0.3571 0.4933 0.3974 -0.0006 0.1237  -0.1175 192 CYS C CB    
809  S SG    . CYS C 31  ? 0.4204 0.5695 0.4795 0.0123  0.1442  -0.1421 192 CYS C SG    
810  N N     . VAL C 32  ? 0.4081 0.5247 0.3990 -0.0254 0.1105  -0.0792 193 VAL C N     
811  C CA    . VAL C 32  ? 0.3650 0.4697 0.3482 -0.0280 0.0939  -0.0627 193 VAL C CA    
812  C C     . VAL C 32  ? 0.4349 0.5388 0.4098 -0.0392 0.1043  -0.0522 193 VAL C C     
813  O O     . VAL C 32  ? 0.5187 0.6402 0.5124 -0.0450 0.1208  -0.0567 193 VAL C O     
814  C CB    . VAL C 32  ? 0.4915 0.6042 0.5108 -0.0198 0.0785  -0.0600 193 VAL C CB    
815  C CG1   . VAL C 32  ? 0.3944 0.5272 0.4490 -0.0205 0.0851  -0.0600 193 VAL C CG1   
816  C CG2   . VAL C 32  ? 0.3365 0.4367 0.3449 -0.0195 0.0617  -0.0467 193 VAL C CG2   
817  N N     . TRP C 33  ? 0.4653 0.5484 0.4134 -0.0423 0.0940  -0.0381 194 TRP C N     
818  C CA    . TRP C 33  ? 0.4596 0.5309 0.3910 -0.0537 0.1024  -0.0266 194 TRP C CA    
819  C C     . TRP C 33  ? 0.5181 0.5687 0.4384 -0.0492 0.0843  -0.0125 194 TRP C C     
820  O O     . TRP C 33  ? 0.4054 0.4540 0.3268 -0.0387 0.0674  -0.0115 194 TRP C O     
821  C CB    . TRP C 33  ? 0.5364 0.5946 0.4244 -0.0643 0.1179  -0.0254 194 TRP C CB    
822  C CG    . TRP C 33  ? 0.6130 0.6526 0.4606 -0.0593 0.1061  -0.0243 194 TRP C CG    
823  C CD1   . TRP C 33  ? 0.6104 0.6260 0.4285 -0.0564 0.0879  -0.0103 194 TRP C CD1   
824  C CD2   . TRP C 33  ? 0.5848 0.6285 0.4178 -0.0563 0.1100  -0.0388 194 TRP C CD2   
825  N NE1   . TRP C 33  ? 0.6466 0.6539 0.4334 -0.0531 0.0784  -0.0145 194 TRP C NE1   
826  C CE2   . TRP C 33  ? 0.5473 0.5692 0.3401 -0.0539 0.0921  -0.0326 194 TRP C CE2   
827  C CE3   . TRP C 33  ? 0.5990 0.6617 0.4494 -0.0543 0.1262  -0.0574 194 TRP C CE3   
828  C CZ2   . TRP C 33  ? 0.6067 0.6236 0.3728 -0.0523 0.0893  -0.0451 194 TRP C CZ2   
829  C CZ3   . TRP C 33  ? 0.6420 0.6968 0.4655 -0.0507 0.1254  -0.0703 194 TRP C CZ3   
830  C CH2   . TRP C 33  ? 0.6293 0.6605 0.4093 -0.0511 0.1069  -0.0645 194 TRP C CH2   
831  N N     . TRP C 34  ? 0.5660 0.6012 0.4774 -0.0575 0.0885  -0.0021 195 TRP C N     
832  C CA    . TRP C 34  ? 0.5482 0.5576 0.4426 -0.0519 0.0737  0.0113  195 TRP C CA    
833  C C     . TRP C 34  ? 0.6015 0.5855 0.4484 -0.0518 0.0683  0.0214  195 TRP C C     
834  O O     . TRP C 34  ? 0.5973 0.5731 0.4139 -0.0632 0.0819  0.0225  195 TRP C O     
835  C CB    . TRP C 34  ? 0.4116 0.4057 0.3089 -0.0610 0.0794  0.0181  195 TRP C CB    
836  C CG    . TRP C 34  ? 0.4348 0.4499 0.3736 -0.0613 0.0801  0.0095  195 TRP C CG    
837  C CD1   . TRP C 34  ? 0.4269 0.4579 0.3869 -0.0748 0.0932  0.0034  195 TRP C CD1   
838  C CD2   . TRP C 34  ? 0.4760 0.4994 0.4387 -0.0482 0.0665  0.0067  195 TRP C CD2   
839  N NE1   . TRP C 34  ? 0.3914 0.4383 0.3845 -0.0703 0.0858  -0.0029 195 TRP C NE1   
840  C CE2   . TRP C 34  ? 0.3884 0.4292 0.3809 -0.0543 0.0706  -0.0008 195 TRP C CE2   
841  C CE3   . TRP C 34  ? 0.4656 0.4859 0.4280 -0.0329 0.0518  0.0097  195 TRP C CE3   
842  C CZ2   . TRP C 34  ? 0.4022 0.4525 0.4166 -0.0456 0.0606  -0.0046 195 TRP C CZ2   
843  C CZ3   . TRP C 34  ? 0.4252 0.4579 0.4132 -0.0249 0.0449  0.0056  195 TRP C CZ3   
844  C CH2   . TRP C 34  ? 0.4870 0.5321 0.4970 -0.0313 0.0494  -0.0012 195 TRP C CH2   
845  N N     . VAL C 35  ? 0.6229 0.5963 0.4634 -0.0386 0.0483  0.0290  196 VAL C N     
846  C CA    . VAL C 35  ? 0.6386 0.5843 0.4348 -0.0362 0.0375  0.0423  196 VAL C CA    
847  C C     . VAL C 35  ? 0.7132 0.6268 0.4966 -0.0334 0.0325  0.0574  196 VAL C C     
848  O O     . VAL C 35  ? 0.8396 0.7205 0.5801 -0.0398 0.0338  0.0707  196 VAL C O     
849  C CB    . VAL C 35  ? 0.6291 0.5868 0.4285 -0.0228 0.0160  0.0405  196 VAL C CB    
850  C CG1   . VAL C 35  ? 0.7411 0.6724 0.4931 -0.0199 0.0015  0.0542  196 VAL C CG1   
851  C CG2   . VAL C 35  ? 0.6750 0.6580 0.4868 -0.0262 0.0207  0.0240  196 VAL C CG2   
852  N N     . GLU C 36  ? 0.6290 0.5484 0.4463 -0.0238 0.0269  0.0555  197 GLU C N     
853  C CA    . GLU C 36  ? 0.6898 0.5768 0.4995 -0.0202 0.0242  0.0658  197 GLU C CA    
854  C C     . GLU C 36  ? 0.6293 0.5293 0.4748 -0.0242 0.0335  0.0554  197 GLU C C     
855  O O     . GLU C 36  ? 0.6192 0.5358 0.4943 -0.0112 0.0259  0.0492  197 GLU C O     
856  C CB    . GLU C 36  ? 0.7230 0.6003 0.5325 0.0017  0.0029  0.0741  197 GLU C CB    
857  C CG    . GLU C 36  ? 0.8402 0.7146 0.6212 0.0078  -0.0124 0.0825  197 GLU C CG    
858  C CD    . GLU C 36  ? 0.9387 0.8239 0.7386 0.0307  -0.0348 0.0860  197 GLU C CD    
859  O OE1   . GLU C 36  ? 0.9843 0.8573 0.7996 0.0442  -0.0385 0.0893  197 GLU C OE1   
860  O OE2   . GLU C 36  ? 0.9085 0.8156 0.7095 0.0350  -0.0484 0.0844  197 GLU C OE2   
861  N N     . PRO C 37  ? 0.6588 0.5542 0.5025 -0.0433 0.0500  0.0529  198 PRO C N     
862  C CA    . PRO C 37  ? 0.5457 0.4573 0.4238 -0.0486 0.0561  0.0418  198 PRO C CA    
863  C C     . PRO C 37  ? 0.5774 0.4677 0.4609 -0.0376 0.0472  0.0430  198 PRO C C     
864  O O     . PRO C 37  ? 0.5478 0.4578 0.4599 -0.0331 0.0455  0.0327  198 PRO C O     
865  C CB    . PRO C 37  ? 0.5446 0.4500 0.4151 -0.0728 0.0737  0.0421  198 PRO C CB    
866  C CG    . PRO C 37  ? 0.5995 0.4995 0.4379 -0.0797 0.0811  0.0492  198 PRO C CG    
867  C CD    . PRO C 37  ? 0.6498 0.5276 0.4606 -0.0623 0.0640  0.0600  198 PRO C CD    
868  N N     . GLY C 38  ? 0.5526 0.4003 0.4066 -0.0325 0.0415  0.0551  199 GLY C N     
869  C CA    . GLY C 38  ? 0.6692 0.4933 0.5273 -0.0192 0.0341  0.0543  199 GLY C CA    
870  C C     . GLY C 38  ? 0.6345 0.4842 0.5166 0.0045  0.0230  0.0492  199 GLY C C     
871  O O     . GLY C 38  ? 0.6688 0.5178 0.5665 0.0138  0.0220  0.0414  199 GLY C O     
872  N N     . ALA C 39  ? 0.5956 0.4686 0.4803 0.0130  0.0154  0.0527  200 ALA C N     
873  C CA    . ALA C 39  ? 0.5852 0.4875 0.4959 0.0322  0.0054  0.0488  200 ALA C CA    
874  C C     . ALA C 39  ? 0.4838 0.4298 0.4239 0.0267  0.0096  0.0375  200 ALA C C     
875  O O     . ALA C 39  ? 0.4779 0.4504 0.4410 0.0386  0.0032  0.0343  200 ALA C O     
876  C CB    . ALA C 39  ? 0.5655 0.4667 0.4632 0.0445  -0.0093 0.0596  200 ALA C CB    
877  N N     . GLY C 40  ? 0.4175 0.3719 0.3589 0.0091  0.0201  0.0318  201 GLY C N     
878  C CA    . GLY C 40  ? 0.3730 0.3635 0.3406 0.0055  0.0227  0.0221  201 GLY C CA    
879  C C     . GLY C 40  ? 0.4022 0.4128 0.3721 0.0081  0.0166  0.0223  201 GLY C C     
880  O O     . GLY C 40  ? 0.3098 0.3465 0.3027 0.0103  0.0146  0.0160  201 GLY C O     
881  N N     . VAL C 41  ? 0.4212 0.4173 0.3642 0.0068  0.0131  0.0295  202 VAL C N     
882  C CA    . VAL C 41  ? 0.4387 0.4493 0.3774 0.0084  0.0049  0.0288  202 VAL C CA    
883  C C     . VAL C 41  ? 0.5021 0.5170 0.4300 -0.0055 0.0164  0.0221  202 VAL C C     
884  O O     . VAL C 41  ? 0.4954 0.4921 0.3990 -0.0156 0.0269  0.0256  202 VAL C O     
885  C CB    . VAL C 41  ? 0.5021 0.4945 0.4143 0.0167  -0.0089 0.0405  202 VAL C CB    
886  C CG1   . VAL C 41  ? 0.4545 0.4640 0.3633 0.0174  -0.0208 0.0380  202 VAL C CG1   
887  C CG2   . VAL C 41  ? 0.4684 0.4563 0.3950 0.0334  -0.0182 0.0462  202 VAL C CG2   
888  N N     . PHE C 42  ? 0.4242 0.4621 0.3701 -0.0061 0.0158  0.0122  203 PHE C N     
889  C CA    . PHE C 42  ? 0.3824 0.4270 0.3243 -0.0155 0.0277  0.0027  203 PHE C CA    
890  C C     . PHE C 42  ? 0.3888 0.4409 0.3245 -0.0140 0.0194  -0.0038 203 PHE C C     
891  O O     . PHE C 42  ? 0.5142 0.5745 0.4619 -0.0075 0.0047  -0.0027 203 PHE C O     
892  C CB    . PHE C 42  ? 0.3494 0.4114 0.3241 -0.0180 0.0371  -0.0058 203 PHE C CB    
893  C CG    . PHE C 42  ? 0.3943 0.4732 0.3977 -0.0108 0.0283  -0.0102 203 PHE C CG    
894  C CD1   . PHE C 42  ? 0.3198 0.4012 0.3373 -0.0043 0.0208  -0.0048 203 PHE C CD1   
895  C CD2   . PHE C 42  ? 0.3261 0.4158 0.3406 -0.0110 0.0289  -0.0198 203 PHE C CD2   
896  C CE1   . PHE C 42  ? 0.2931 0.3893 0.3336 -0.0003 0.0150  -0.0073 203 PHE C CE1   
897  C CE2   . PHE C 42  ? 0.3414 0.4416 0.3790 -0.0066 0.0210  -0.0218 203 PHE C CE2   
898  C CZ    . PHE C 42  ? 0.2925 0.3968 0.3424 -0.0024 0.0145  -0.0147 203 PHE C CZ    
899  N N     . GLN C 43  ? 0.4149 0.4644 0.3319 -0.0210 0.0299  -0.0119 204 GLN C N     
900  C CA    . GLN C 43  ? 0.4618 0.5111 0.3628 -0.0213 0.0230  -0.0203 204 GLN C CA    
901  C C     . GLN C 43  ? 0.5160 0.5737 0.4269 -0.0241 0.0377  -0.0361 204 GLN C C     
902  O O     . GLN C 43  ? 0.4950 0.5565 0.4089 -0.0283 0.0560  -0.0391 204 GLN C O     
903  C CB    . GLN C 43  ? 0.4930 0.5222 0.3445 -0.0254 0.0192  -0.0140 204 GLN C CB    
904  C CG    . GLN C 43  ? 0.5898 0.6157 0.4176 -0.0270 0.0090  -0.0234 204 GLN C CG    
905  C CD    . GLN C 43  ? 0.6784 0.6831 0.4524 -0.0306 0.0015  -0.0149 204 GLN C CD    
906  O OE1   . GLN C 43  ? 0.6872 0.6763 0.4363 -0.0342 0.0108  -0.0035 204 GLN C OE1   
907  N NE2   . GLN C 43  ? 0.6362 0.6381 0.3899 -0.0309 -0.0168 -0.0196 204 GLN C NE2   
908  N N     . PHE C 44  ? 0.4189 0.4795 0.3368 -0.0216 0.0296  -0.0467 205 PHE C N     
909  C CA    . PHE C 44  ? 0.4504 0.5136 0.3748 -0.0211 0.0418  -0.0634 205 PHE C CA    
910  C C     . PHE C 44  ? 0.5571 0.6062 0.4376 -0.0259 0.0482  -0.0731 205 PHE C C     
911  O O     . PHE C 44  ? 0.5775 0.6140 0.4237 -0.0295 0.0354  -0.0681 205 PHE C O     
912  C CB    . PHE C 44  ? 0.4353 0.5016 0.3869 -0.0166 0.0301  -0.0702 205 PHE C CB    
913  C CG    . PHE C 44  ? 0.3721 0.4514 0.3633 -0.0122 0.0272  -0.0626 205 PHE C CG    
914  C CD1   . PHE C 44  ? 0.2962 0.3849 0.3131 -0.0079 0.0385  -0.0675 205 PHE C CD1   
915  C CD2   . PHE C 44  ? 0.3463 0.4301 0.3488 -0.0120 0.0129  -0.0511 205 PHE C CD2   
916  C CE1   . PHE C 44  ? 0.3651 0.4637 0.4121 -0.0045 0.0339  -0.0603 205 PHE C CE1   
917  C CE2   . PHE C 44  ? 0.3527 0.4468 0.3851 -0.0087 0.0119  -0.0448 205 PHE C CE2   
918  C CZ    . PHE C 44  ? 0.2499 0.3495 0.3015 -0.0054 0.0215  -0.0490 205 PHE C CZ    
919  N N     . SER C 45  ? 0.5551 0.6076 0.4364 -0.0251 0.0679  -0.0877 206 SER C N     
920  C CA    . SER C 45  ? 0.6111 0.6503 0.4485 -0.0292 0.0786  -0.1003 206 SER C CA    
921  C C     . SER C 45  ? 0.6762 0.7016 0.5041 -0.0266 0.0651  -0.1151 206 SER C C     
922  O O     . SER C 45  ? 0.5826 0.6111 0.4445 -0.0196 0.0629  -0.1246 206 SER C O     
923  C CB    . SER C 45  ? 0.5687 0.6208 0.4152 -0.0282 0.1077  -0.1122 206 SER C CB    
924  O OG    . SER C 45  ? 0.5385 0.5788 0.3505 -0.0283 0.1193  -0.1310 206 SER C OG    
925  N N     . SER C 46  ? 0.6784 0.6859 0.4577 -0.0331 0.0546  -0.1169 207 SER C N     
926  C CA    . SER C 46  ? 0.7338 0.7254 0.4994 -0.0340 0.0392  -0.1320 207 SER C CA    
927  C C     . SER C 46  ? 0.7362 0.7210 0.5091 -0.0276 0.0563  -0.1560 207 SER C C     
928  O O     . SER C 46  ? 0.7427 0.7202 0.5403 -0.0237 0.0463  -0.1654 207 SER C O     
929  C CB    . SER C 46  ? 0.7429 0.7165 0.4478 -0.0428 0.0271  -0.1321 207 SER C CB    
930  O OG    . SER C 46  ? 0.8764 0.8556 0.5802 -0.0454 0.0057  -0.1105 207 SER C OG    
931  N N     . LYS C 47  ? 0.7553 0.7417 0.5077 -0.0262 0.0832  -0.1661 208 LYS C N     
932  C CA    . LYS C 47  ? 0.7373 0.7172 0.4931 -0.0175 0.1016  -0.1916 208 LYS C CA    
933  C C     . LYS C 47  ? 0.7339 0.7352 0.5512 -0.0045 0.1144  -0.1936 208 LYS C C     
934  O O     . LYS C 47  ? 0.7642 0.7567 0.5991 0.0067  0.1186  -0.2122 208 LYS C O     
935  C CB    . LYS C 47  ? 0.7861 0.7615 0.4920 -0.0213 0.1276  -0.2037 208 LYS C CB    
936  C CG    . LYS C 47  ? 0.8374 0.7819 0.4765 -0.0295 0.1171  -0.2161 208 LYS C CG    
937  C CD    . LYS C 47  ? 1.1128 1.0496 0.7079 -0.0287 0.1480  -0.2380 208 LYS C CD    
938  C CE    . LYS C 47  ? 1.1332 1.0365 0.6535 -0.0382 0.1359  -0.2508 208 LYS C CE    
939  N NZ    . LYS C 47  ? 1.2084 1.0876 0.7345 -0.0348 0.1136  -0.2691 208 LYS C NZ    
940  N N     . HIS C 48  ? 0.6032 0.6302 0.4525 -0.0053 0.1190  -0.1754 209 HIS C N     
941  C CA    . HIS C 48  ? 0.5682 0.6196 0.4724 0.0060  0.1317  -0.1776 209 HIS C CA    
942  C C     . HIS C 48  ? 0.5924 0.6513 0.5405 0.0094  0.1115  -0.1620 209 HIS C C     
943  O O     . HIS C 48  ? 0.5739 0.6548 0.5659 0.0172  0.1178  -0.1596 209 HIS C O     
944  C CB    . HIS C 48  ? 0.5562 0.6340 0.4645 0.0009  0.1566  -0.1725 209 HIS C CB    
945  C CG    . HIS C 48  ? 0.6507 0.7216 0.5087 -0.0062 0.1788  -0.1838 209 HIS C CG    
946  N ND1   . HIS C 48  ? 0.7300 0.7927 0.5414 -0.0217 0.1809  -0.1696 209 HIS C ND1   
947  C CD2   . HIS C 48  ? 0.6837 0.7528 0.5276 0.0006  0.2008  -0.2078 209 HIS C CD2   
948  C CE1   . HIS C 48  ? 0.7340 0.7900 0.5014 -0.0259 0.2032  -0.1832 209 HIS C CE1   
949  N NE2   . HIS C 48  ? 0.7653 0.8264 0.5519 -0.0125 0.2168  -0.2077 209 HIS C NE2   
950  N N     . LYS C 49  ? 0.5828 0.6264 0.5207 0.0036  0.0875  -0.1517 210 LYS C N     
951  C CA    . LYS C 49  ? 0.5389 0.5905 0.5144 0.0056  0.0714  -0.1365 210 LYS C CA    
952  C C     . LYS C 49  ? 0.5227 0.5678 0.5311 0.0172  0.0671  -0.1451 210 LYS C C     
953  O O     . LYS C 49  ? 0.4891 0.5459 0.5323 0.0217  0.0611  -0.1343 210 LYS C O     
954  C CB    . LYS C 49  ? 0.5626 0.6045 0.5221 -0.0038 0.0494  -0.1237 210 LYS C CB    
955  C CG    . LYS C 49  ? 0.5792 0.5972 0.5139 -0.0080 0.0364  -0.1352 210 LYS C CG    
956  C CD    . LYS C 49  ? 0.5330 0.5511 0.4566 -0.0179 0.0151  -0.1216 210 LYS C CD    
957  C CE    . LYS C 49  ? 0.5588 0.5559 0.4620 -0.0251 -0.0007 -0.1334 210 LYS C CE    
958  N NZ    . LYS C 49  ? 0.7226 0.7030 0.5774 -0.0277 0.0062  -0.1495 210 LYS C NZ    
959  N N     . GLU C 50  ? 0.5017 0.5245 0.4964 0.0222  0.0691  -0.1642 211 GLU C N     
960  C CA    . GLU C 50  ? 0.5224 0.5317 0.5459 0.0346  0.0640  -0.1717 211 GLU C CA    
961  C C     . GLU C 50  ? 0.4907 0.5246 0.5548 0.0494  0.0772  -0.1728 211 GLU C C     
962  O O     . GLU C 50  ? 0.5132 0.5445 0.6094 0.0590  0.0674  -0.1676 211 GLU C O     
963  C CB    . GLU C 50  ? 0.4953 0.4717 0.4935 0.0383  0.0657  -0.1950 211 GLU C CB    
964  C CG    . GLU C 50  ? 0.6186 0.5703 0.5793 0.0223  0.0485  -0.1957 211 GLU C CG    
965  C CD    . GLU C 50  ? 0.6262 0.5727 0.6053 0.0135  0.0256  -0.1782 211 GLU C CD    
966  O OE1   . GLU C 50  ? 0.5598 0.5050 0.5729 0.0214  0.0219  -0.1710 211 GLU C OE1   
967  O OE2   . GLU C 50  ? 0.6473 0.5923 0.6068 -0.0015 0.0113  -0.1712 211 GLU C OE2   
968  N N     . LEU C 51  ? 0.4850 0.5434 0.5482 0.0506  0.0986  -0.1789 212 LEU C N     
969  C CA    . LEU C 51  ? 0.5368 0.6271 0.6443 0.0624  0.1104  -0.1795 212 LEU C CA    
970  C C     . LEU C 51  ? 0.4754 0.5826 0.6111 0.0588  0.0958  -0.1578 212 LEU C C     
971  O O     . LEU C 51  ? 0.4552 0.5735 0.6296 0.0711  0.0900  -0.1557 212 LEU C O     
972  C CB    . LEU C 51  ? 0.4726 0.5894 0.5723 0.0580  0.1369  -0.1871 212 LEU C CB    
973  C CG    . LEU C 51  ? 0.6078 0.7634 0.7571 0.0699  0.1530  -0.1933 212 LEU C CG    
974  C CD1   . LEU C 51  ? 0.6041 0.7536 0.7719 0.0920  0.1618  -0.2163 212 LEU C CD1   
975  C CD2   . LEU C 51  ? 0.4776 0.6626 0.6190 0.0570  0.1775  -0.1930 212 LEU C CD2   
976  N N     . LEU C 52  ? 0.3881 0.4962 0.5031 0.0431  0.0891  -0.1421 213 LEU C N     
977  C CA    . LEU C 52  ? 0.4783 0.5994 0.6139 0.0392  0.0767  -0.1234 213 LEU C CA    
978  C C     . LEU C 52  ? 0.4723 0.5749 0.6188 0.0441  0.0566  -0.1162 213 LEU C C     
979  O O     . LEU C 52  ? 0.4050 0.5181 0.5790 0.0497  0.0486  -0.1075 213 LEU C O     
980  C CB    . LEU C 52  ? 0.4245 0.5458 0.5328 0.0237  0.0751  -0.1103 213 LEU C CB    
981  C CG    . LEU C 52  ? 0.3027 0.4329 0.4234 0.0185  0.0640  -0.0926 213 LEU C CG    
982  C CD1   . LEU C 52  ? 0.2885 0.4247 0.3898 0.0068  0.0717  -0.0848 213 LEU C CD1   
983  C CD2   . LEU C 52  ? 0.2778 0.3905 0.3914 0.0168  0.0457  -0.0832 213 LEU C CD2   
984  N N     . ALA C 53  ? 0.4445 0.5189 0.5676 0.0403  0.0477  -0.1189 214 ALA C N     
985  C CA    . ALA C 53  ? 0.4114 0.4661 0.5422 0.0410  0.0302  -0.1106 214 ALA C CA    
986  C C     . ALA C 53  ? 0.4479 0.4959 0.6065 0.0575  0.0278  -0.1156 214 ALA C C     
987  O O     . ALA C 53  ? 0.4442 0.4916 0.6199 0.0604  0.0161  -0.1025 214 ALA C O     
988  C CB    . ALA C 53  ? 0.4680 0.4949 0.5715 0.0319  0.0221  -0.1157 214 ALA C CB    
989  N N     . ARG C 54  ? 0.4579 0.5007 0.6201 0.0697  0.0389  -0.1345 215 ARG C N     
990  C CA    . ARG C 54  ? 0.4290 0.4646 0.6205 0.0894  0.0358  -0.1403 215 ARG C CA    
991  C C     . ARG C 54  ? 0.4560 0.5279 0.6838 0.0977  0.0360  -0.1318 215 ARG C C     
992  O O     . ARG C 54  ? 0.5029 0.5698 0.7552 0.1112  0.0240  -0.1264 215 ARG C O     
993  C CB    . ARG C 54  ? 0.5494 0.5735 0.7376 0.1025  0.0503  -0.1652 215 ARG C CB    
994  C CG    . ARG C 54  ? 0.7009 0.6789 0.8567 0.0970  0.0435  -0.1747 215 ARG C CG    
995  C CD    . ARG C 54  ? 0.7383 0.7097 0.8670 0.0975  0.0611  -0.1984 215 ARG C CD    
996  N NE    . ARG C 54  ? 0.8286 0.8071 0.9810 0.1208  0.0770  -0.2178 215 ARG C NE    
997  C CZ    . ARG C 54  ? 0.8244 0.7899 0.9566 0.1277  0.0939  -0.2430 215 ARG C CZ    
998  N NH1   . ARG C 54  ? 0.8915 0.8333 0.9753 0.1121  0.0948  -0.2520 215 ARG C NH1   
999  N NH2   . ARG C 54  ? 0.7631 0.7407 0.9243 0.1514  0.1097  -0.2605 215 ARG C NH2   
1000 N N     . ARG C 55  ? 0.4271 0.5334 0.6576 0.0890  0.0479  -0.1300 216 ARG C N     
1001 C CA    . ARG C 55  ? 0.4481 0.5892 0.7118 0.0923  0.0457  -0.1217 216 ARG C CA    
1002 C C     . ARG C 55  ? 0.4780 0.6113 0.7382 0.0854  0.0259  -0.1012 216 ARG C C     
1003 O O     . ARG C 55  ? 0.3682 0.5126 0.6538 0.0942  0.0143  -0.0939 216 ARG C O     
1004 C CB    . ARG C 55  ? 0.4861 0.6594 0.7484 0.0803  0.0634  -0.1241 216 ARG C CB    
1005 C CG    . ARG C 55  ? 0.5448 0.7537 0.8385 0.0779  0.0604  -0.1158 216 ARG C CG    
1006 C CD    . ARG C 55  ? 0.5816 0.8227 0.9220 0.0945  0.0672  -0.1278 216 ARG C CD    
1007 N NE    . ARG C 55  ? 0.7088 0.9466 1.0764 0.1111  0.0460  -0.1220 216 ARG C NE    
1008 C CZ    . ARG C 55  ? 0.6022 0.8582 0.9891 0.1092  0.0299  -0.1096 216 ARG C CZ    
1009 N NH1   . ARG C 55  ? 0.5663 0.8431 0.9495 0.0908  0.0326  -0.1029 216 ARG C NH1   
1010 N NH2   . ARG C 55  ? 0.5542 0.8036 0.9611 0.1258  0.0096  -0.1039 216 ARG C NH2   
1011 N N     . TRP C 56  ? 0.4206 0.5363 0.6493 0.0701  0.0219  -0.0920 217 TRP C N     
1012 C CA    . TRP C 56  ? 0.4013 0.5076 0.6233 0.0634  0.0063  -0.0741 217 TRP C CA    
1013 C C     . TRP C 56  ? 0.4148 0.4952 0.6436 0.0737  -0.0082 -0.0692 217 TRP C C     
1014 O O     . TRP C 56  ? 0.3605 0.4418 0.5960 0.0755  -0.0208 -0.0557 217 TRP C O     
1015 C CB    . TRP C 56  ? 0.3288 0.4232 0.5206 0.0475  0.0066  -0.0681 217 TRP C CB    
1016 C CG    . TRP C 56  ? 0.3254 0.4082 0.5086 0.0402  -0.0059 -0.0520 217 TRP C CG    
1017 C CD1   . TRP C 56  ? 0.3784 0.4387 0.5469 0.0326  -0.0120 -0.0475 217 TRP C CD1   
1018 C CD2   . TRP C 56  ? 0.3724 0.4670 0.5602 0.0383  -0.0123 -0.0390 217 TRP C CD2   
1019 N NE1   . TRP C 56  ? 0.3403 0.3999 0.5056 0.0262  -0.0194 -0.0320 217 TRP C NE1   
1020 C CE2   . TRP C 56  ? 0.2996 0.3782 0.4735 0.0303  -0.0197 -0.0270 217 TRP C CE2   
1021 C CE3   . TRP C 56  ? 0.3197 0.4369 0.5210 0.0411  -0.0124 -0.0373 217 TRP C CE3   
1022 C CZ2   . TRP C 56  ? 0.3997 0.4829 0.5689 0.0265  -0.0252 -0.0138 217 TRP C CZ2   
1023 C CZ3   . TRP C 56  ? 0.2202 0.3395 0.4157 0.0370  -0.0209 -0.0248 217 TRP C CZ3   
1024 C CH2   . TRP C 56  ? 0.2974 0.3992 0.4751 0.0305  -0.0263 -0.0134 217 TRP C CH2   
1025 N N     . GLY C 57  ? 0.3982 0.4516 0.6219 0.0802  -0.0072 -0.0798 218 GLY C N     
1026 C CA    . GLY C 57  ? 0.4110 0.4311 0.6375 0.0891  -0.0213 -0.0743 218 GLY C CA    
1027 C C     . GLY C 57  ? 0.4573 0.4857 0.7154 0.1109  -0.0277 -0.0757 218 GLY C C     
1028 O O     . GLY C 57  ? 0.4170 0.4251 0.6777 0.1174  -0.0440 -0.0626 218 GLY C O     
1029 N N     . GLN C 58  ? 0.4793 0.5386 0.7620 0.1224  -0.0153 -0.0908 219 GLN C N     
1030 C CA    . GLN C 58  ? 0.4576 0.5351 0.7789 0.1442  -0.0220 -0.0928 219 GLN C CA    
1031 C C     . GLN C 58  ? 0.3635 0.4664 0.6959 0.1398  -0.0356 -0.0757 219 GLN C C     
1032 O O     . GLN C 58  ? 0.4370 0.5350 0.7856 0.1538  -0.0537 -0.0664 219 GLN C O     
1033 C CB    . GLN C 58  ? 0.4543 0.5659 0.8028 0.1551  -0.0020 -0.1142 219 GLN C CB    
1034 C CG    . GLN C 58  ? 0.5865 0.6710 0.9236 0.1637  0.0114  -0.1344 219 GLN C CG    
1035 C CD    . GLN C 58  ? 0.7209 0.8412 1.0735 0.1679  0.0370  -0.1552 219 GLN C CD    
1036 O OE1   . GLN C 58  ? 0.5892 0.7563 0.9665 0.1641  0.0447  -0.1538 219 GLN C OE1   
1037 N NE2   . GLN C 58  ? 0.8280 0.9253 1.1642 0.1741  0.0512  -0.1750 219 GLN C NE2   
1038 N N     . GLN C 59  ? 0.4125 0.5398 0.7337 0.1210  -0.0284 -0.0714 220 GLN C N     
1039 C CA    . GLN C 59  ? 0.4211 0.5698 0.7482 0.1151  -0.0407 -0.0578 220 GLN C CA    
1040 C C     . GLN C 59  ? 0.4592 0.5756 0.7598 0.1106  -0.0587 -0.0386 220 GLN C C     
1041 O O     . GLN C 59  ? 0.5160 0.6374 0.8237 0.1162  -0.0760 -0.0275 220 GLN C O     
1042 C CB    . GLN C 59  ? 0.4342 0.6076 0.7508 0.0958  -0.0278 -0.0589 220 GLN C CB    
1043 C CG    . GLN C 59  ? 0.4643 0.6596 0.7860 0.0885  -0.0389 -0.0490 220 GLN C CG    
1044 C CD    . GLN C 59  ? 0.4711 0.6944 0.7952 0.0735  -0.0246 -0.0549 220 GLN C CD    
1045 O OE1   . GLN C 59  ? 0.4627 0.6929 0.7874 0.0700  -0.0059 -0.0657 220 GLN C OE1   
1046 N NE2   . GLN C 59  ? 0.5235 0.7595 0.8450 0.0637  -0.0335 -0.0478 220 GLN C NE2   
1047 N N     . LYS C 60  ? 0.4112 0.4955 0.6808 0.0996  -0.0550 -0.0344 221 LYS C N     
1048 C CA    . LYS C 60  ? 0.3645 0.4185 0.6090 0.0929  -0.0683 -0.0160 221 LYS C CA    
1049 C C     . LYS C 60  ? 0.3507 0.3729 0.6011 0.1093  -0.0839 -0.0100 221 LYS C C     
1050 O O     . LYS C 60  ? 0.3861 0.3876 0.6190 0.1067  -0.0982 0.0082  221 LYS C O     
1051 C CB    . LYS C 60  ? 0.3874 0.4213 0.6039 0.0753  -0.0595 -0.0140 221 LYS C CB    
1052 C CG    . LYS C 60  ? 0.3595 0.4161 0.5623 0.0590  -0.0505 -0.0112 221 LYS C CG    
1053 C CD    . LYS C 60  ? 0.4230 0.4843 0.6141 0.0540  -0.0598 0.0043  221 LYS C CD    
1054 C CE    . LYS C 60  ? 0.3437 0.3741 0.5121 0.0466  -0.0667 0.0201  221 LYS C CE    
1055 N NZ    . LYS C 60  ? 0.3099 0.3350 0.4638 0.0309  -0.0560 0.0206  221 LYS C NZ    
1056 N N     . GLY C 61  ? 0.3710 0.3864 0.6431 0.1266  -0.0808 -0.0246 222 GLY C N     
1057 C CA    . GLY C 61  ? 0.4190 0.3984 0.6972 0.1450  -0.0959 -0.0199 222 GLY C CA    
1058 C C     . GLY C 61  ? 0.5261 0.4517 0.7746 0.1356  -0.0977 -0.0139 222 GLY C C     
1059 O O     . GLY C 61  ? 0.4896 0.3761 0.7296 0.1431  -0.1137 -0.0004 222 GLY C O     
1060 N N     . ASN C 62  ? 0.4920 0.4135 0.7239 0.1184  -0.0829 -0.0230 223 ASN C N     
1061 C CA    . ASN C 62  ? 0.5225 0.3982 0.7279 0.1040  -0.0849 -0.0175 223 ASN C CA    
1062 C C     . ASN C 62  ? 0.5504 0.3819 0.7607 0.1202  -0.0890 -0.0291 223 ASN C C     
1063 O O     . ASN C 62  ? 0.5944 0.4364 0.8287 0.1421  -0.0843 -0.0470 223 ASN C O     
1064 C CB    . ASN C 62  ? 0.5130 0.4024 0.7033 0.0820  -0.0707 -0.0252 223 ASN C CB    
1065 C CG    . ASN C 62  ? 0.4644 0.3916 0.6488 0.0676  -0.0664 -0.0143 223 ASN C CG    
1066 O OD1   . ASN C 62  ? 0.4592 0.3882 0.6376 0.0650  -0.0749 0.0034  223 ASN C OD1   
1067 N ND2   . ASN C 62  ? 0.3882 0.3428 0.5712 0.0588  -0.0535 -0.0250 223 ASN C ND2   
1068 N N     . ARG C 63  ? 0.6051 0.3859 0.7926 0.1085  -0.0967 -0.0194 224 ARG C N     
1069 C CA    . ARG C 63  ? 0.7002 0.4275 0.8876 0.1230  -0.1029 -0.0287 224 ARG C CA    
1070 C C     . ARG C 63  ? 0.7095 0.4320 0.8955 0.1221  -0.0888 -0.0569 224 ARG C C     
1071 O O     . ARG C 63  ? 0.7391 0.4459 0.9390 0.1456  -0.0863 -0.0759 224 ARG C O     
1072 C CB    . ARG C 63  ? 0.7231 0.3936 0.8837 0.1068  -0.1153 -0.0083 224 ARG C CB    
1073 C CG    . ARG C 63  ? 0.9206 0.5896 1.0734 0.1064  -0.1291 0.0209  224 ARG C CG    
1074 C CD    . ARG C 63  ? 0.9491 0.5493 1.0772 0.0991  -0.1428 0.0400  224 ARG C CD    
1075 N NE    . ARG C 63  ? 0.9706 0.5666 1.0848 0.0994  -0.1563 0.0689  224 ARG C NE    
1076 C CZ    . ARG C 63  ? 1.0464 0.6332 1.1706 0.1270  -0.1732 0.0773  224 ARG C CZ    
1077 N NH1   . ARG C 63  ? 1.0772 0.6604 1.2309 0.1585  -0.1774 0.0587  224 ARG C NH1   
1078 N NH2   . ARG C 63  ? 1.1388 0.7212 1.2428 0.1237  -0.1864 0.1045  224 ARG C NH2   
1079 N N     . LYS C 64  ? 0.6508 0.3874 0.8198 0.0965  -0.0798 -0.0604 225 LYS C N     
1080 C CA    . LYS C 64  ? 0.6175 0.3496 0.7776 0.0924  -0.0685 -0.0859 225 LYS C CA    
1081 C C     . LYS C 64  ? 0.6085 0.3976 0.7800 0.0975  -0.0527 -0.0988 225 LYS C C     
1082 O O     . LYS C 64  ? 0.5992 0.4312 0.7825 0.0965  -0.0509 -0.0866 225 LYS C O     
1083 C CB    . LYS C 64  ? 0.6885 0.4027 0.8236 0.0610  -0.0708 -0.0824 225 LYS C CB    
1084 C CG    . LYS C 64  ? 0.6465 0.3070 0.7690 0.0483  -0.0847 -0.0661 225 LYS C CG    
1085 C CD    . LYS C 64  ? 0.7388 0.3382 0.8572 0.0645  -0.0905 -0.0807 225 LYS C CD    
1086 C CE    . LYS C 64  ? 0.7654 0.3049 0.8680 0.0489  -0.1045 -0.0628 225 LYS C CE    
1087 N NZ    . LYS C 64  ? 0.8373 0.3087 0.9327 0.0640  -0.1108 -0.0784 225 LYS C NZ    
1088 N N     . ARG C 65  ? 0.5606 0.3461 0.7249 0.1019  -0.0411 -0.1241 226 ARG C N     
1089 C CA    . ARG C 65  ? 0.5253 0.3587 0.6929 0.1029  -0.0244 -0.1361 226 ARG C CA    
1090 C C     . ARG C 65  ? 0.5412 0.3990 0.6912 0.0767  -0.0241 -0.1247 226 ARG C C     
1091 O O     . ARG C 65  ? 0.5380 0.3729 0.6666 0.0576  -0.0307 -0.1238 226 ARG C O     
1092 C CB    . ARG C 65  ? 0.5866 0.4043 0.7424 0.1122  -0.0113 -0.1656 226 ARG C CB    
1093 C CG    . ARG C 65  ? 0.6729 0.5305 0.8184 0.1063  0.0066  -0.1776 226 ARG C CG    
1094 C CD    . ARG C 65  ? 0.6984 0.5369 0.8279 0.1170  0.0209  -0.2078 226 ARG C CD    
1095 N NE    . ARG C 65  ? 0.8667 0.7324 1.0258 0.1424  0.0377  -0.2208 226 ARG C NE    
1096 C CZ    . ARG C 65  ? 0.9290 0.7798 1.0851 0.1601  0.0524  -0.2480 226 ARG C CZ    
1097 N NH1   . ARG C 65  ? 0.9305 0.7333 1.0512 0.1555  0.0513  -0.2664 226 ARG C NH1   
1098 N NH2   . ARG C 65  ? 0.7980 0.6840 0.9888 0.1827  0.0690  -0.2582 226 ARG C NH2   
1099 N N     . MET C 66  ? 0.4431 0.3472 0.6043 0.0758  -0.0174 -0.1163 227 MET C N     
1100 C CA    . MET C 66  ? 0.4859 0.4134 0.6330 0.0551  -0.0170 -0.1057 227 MET C CA    
1101 C C     . MET C 66  ? 0.5363 0.4692 0.6608 0.0473  -0.0072 -0.1220 227 MET C C     
1102 O O     . MET C 66  ? 0.4936 0.4346 0.6175 0.0586  0.0062  -0.1389 227 MET C O     
1103 C CB    . MET C 66  ? 0.4146 0.3829 0.5780 0.0570  -0.0137 -0.0923 227 MET C CB    
1104 C CG    . MET C 66  ? 0.3684 0.3602 0.5185 0.0398  -0.0117 -0.0830 227 MET C CG    
1105 S SD    . MET C 66  ? 0.4244 0.4013 0.5627 0.0201  -0.0243 -0.0670 227 MET C SD    
1106 C CE    . MET C 66  ? 0.3387 0.3064 0.4912 0.0260  -0.0334 -0.0489 227 MET C CE    
1107 N N     . THR C 67  ? 0.4531 0.3832 0.5589 0.0280  -0.0141 -0.1166 228 THR C N     
1108 C CA    . THR C 67  ? 0.4252 0.3582 0.5047 0.0185  -0.0101 -0.1289 228 THR C CA    
1109 C C     . THR C 67  ? 0.4894 0.4539 0.5653 0.0063  -0.0119 -0.1140 228 THR C C     
1110 O O     . THR C 67  ? 0.4464 0.4250 0.5382 0.0027  -0.0169 -0.0961 228 THR C O     
1111 C CB    . THR C 67  ? 0.5368 0.4329 0.5966 0.0069  -0.0210 -0.1394 228 THR C CB    
1112 O OG1   . THR C 67  ? 0.5245 0.4128 0.5944 -0.0070 -0.0348 -0.1226 228 THR C OG1   
1113 C CG2   . THR C 67  ? 0.5563 0.4156 0.6145 0.0213  -0.0174 -0.1583 228 THR C CG2   
1114 N N     . TYR C 68  ? 0.4139 0.3872 0.4660 0.0010  -0.0076 -0.1217 229 TYR C N     
1115 C CA    . TYR C 68  ? 0.3722 0.3714 0.4196 -0.0078 -0.0105 -0.1081 229 TYR C CA    
1116 C C     . TYR C 68  ? 0.3943 0.3930 0.4464 -0.0219 -0.0265 -0.0974 229 TYR C C     
1117 O O     . TYR C 68  ? 0.4080 0.4294 0.4720 -0.0252 -0.0292 -0.0819 229 TYR C O     
1118 C CB    . TYR C 68  ? 0.4661 0.4694 0.4821 -0.0102 -0.0045 -0.1171 229 TYR C CB    
1119 C CG    . TYR C 68  ? 0.4286 0.4544 0.4392 -0.0160 -0.0081 -0.1021 229 TYR C CG    
1120 C CD1   . TYR C 68  ? 0.4020 0.4475 0.4242 -0.0104 0.0020  -0.0917 229 TYR C CD1   
1121 C CD2   . TYR C 68  ? 0.4596 0.4864 0.4556 -0.0265 -0.0230 -0.0985 229 TYR C CD2   
1122 C CE1   . TYR C 68  ? 0.4016 0.4614 0.4176 -0.0140 -0.0014 -0.0786 229 TYR C CE1   
1123 C CE2   . TYR C 68  ? 0.4668 0.5126 0.4603 -0.0283 -0.0274 -0.0847 229 TYR C CE2   
1124 C CZ    . TYR C 68  ? 0.4492 0.5087 0.4513 -0.0213 -0.0160 -0.0749 229 TYR C CZ    
1125 O OH    . TYR C 68  ? 0.5357 0.6080 0.5337 -0.0215 -0.0205 -0.0618 229 TYR C OH    
1126 N N     . GLN C 69  ? 0.3968 0.3706 0.4407 -0.0308 -0.0366 -0.1067 230 GLN C N     
1127 C CA    . GLN C 69  ? 0.3956 0.3719 0.4497 -0.0469 -0.0511 -0.0970 230 GLN C CA    
1128 C C     . GLN C 69  ? 0.3682 0.3541 0.4497 -0.0466 -0.0498 -0.0789 230 GLN C C     
1129 O O     . GLN C 69  ? 0.3456 0.3561 0.4401 -0.0545 -0.0535 -0.0652 230 GLN C O     
1130 C CB    . GLN C 69  ? 0.4410 0.3826 0.4837 -0.0579 -0.0615 -0.1109 230 GLN C CB    
1131 N N     . LYS C 70  ? 0.3737 0.3408 0.4631 -0.0364 -0.0446 -0.0789 231 LYS C N     
1132 C CA    . LYS C 70  ? 0.3554 0.3278 0.4635 -0.0360 -0.0443 -0.0612 231 LYS C CA    
1133 C C     . LYS C 70  ? 0.3162 0.3214 0.4318 -0.0276 -0.0362 -0.0512 231 LYS C C     
1134 O O     . LYS C 70  ? 0.3111 0.3314 0.4369 -0.0324 -0.0365 -0.0362 231 LYS C O     
1135 C CB    . LYS C 70  ? 0.3795 0.3194 0.4915 -0.0260 -0.0446 -0.0632 231 LYS C CB    
1136 C CG    . LYS C 70  ? 0.4246 0.3236 0.5293 -0.0364 -0.0537 -0.0699 231 LYS C CG    
1137 C CD    . LYS C 70  ? 0.4523 0.3154 0.5616 -0.0242 -0.0556 -0.0684 231 LYS C CD    
1138 C CE    . LYS C 70  ? 0.4883 0.3506 0.6000 0.0000  -0.0476 -0.0832 231 LYS C CE    
1139 N NZ    . LYS C 70  ? 0.5897 0.4170 0.7093 0.0152  -0.0519 -0.0820 231 LYS C NZ    
1140 N N     . LEU C 71  ? 0.4161 0.4315 0.5256 -0.0164 -0.0279 -0.0597 232 LEU C N     
1141 C CA    . LEU C 71  ? 0.3671 0.4098 0.4817 -0.0112 -0.0210 -0.0513 232 LEU C CA    
1142 C C     . LEU C 71  ? 0.3147 0.3773 0.4255 -0.0198 -0.0239 -0.0440 232 LEU C C     
1143 O O     . LEU C 71  ? 0.2667 0.3465 0.3857 -0.0193 -0.0219 -0.0325 232 LEU C O     
1144 C CB    . LEU C 71  ? 0.3728 0.4212 0.4821 -0.0007 -0.0104 -0.0620 232 LEU C CB    
1145 C CG    . LEU C 71  ? 0.3780 0.4499 0.4912 0.0030  -0.0026 -0.0554 232 LEU C CG    
1146 C CD1   . LEU C 71  ? 0.4334 0.5102 0.5555 0.0133  0.0073  -0.0641 232 LEU C CD1   
1147 C CD2   . LEU C 71  ? 0.3212 0.4023 0.4164 -0.0025 -0.0008 -0.0546 232 LEU C CD2   
1148 N N     . ALA C 72  ? 0.3973 0.4573 0.4950 -0.0266 -0.0297 -0.0512 233 ALA C N     
1149 C CA    . ALA C 72  ? 0.3405 0.4210 0.4384 -0.0327 -0.0356 -0.0441 233 ALA C CA    
1150 C C     . ALA C 72  ? 0.3518 0.4431 0.4703 -0.0419 -0.0411 -0.0332 233 ALA C C     
1151 O O     . ALA C 72  ? 0.3252 0.4403 0.4545 -0.0415 -0.0405 -0.0237 233 ALA C O     
1152 C CB    . ALA C 72  ? 0.3142 0.3890 0.3919 -0.0383 -0.0441 -0.0542 233 ALA C CB    
1153 N N     . ARG C 73  ? 0.3666 0.4394 0.4905 -0.0506 -0.0454 -0.0348 234 ARG C N     
1154 C CA    . ARG C 73  ? 0.3701 0.4510 0.5123 -0.0621 -0.0474 -0.0231 234 ARG C CA    
1155 C C     . ARG C 73  ? 0.3521 0.4468 0.5023 -0.0550 -0.0376 -0.0105 234 ARG C C     
1156 O O     . ARG C 73  ? 0.2705 0.3891 0.4341 -0.0599 -0.0349 -0.0010 234 ARG C O     
1157 C CB    . ARG C 73  ? 0.3521 0.4006 0.4933 -0.0719 -0.0522 -0.0257 234 ARG C CB    
1158 C CG    . ARG C 73  ? 0.3498 0.4030 0.5070 -0.0881 -0.0529 -0.0124 234 ARG C CG    
1159 C CD    . ARG C 73  ? 0.3742 0.4563 0.5470 -0.1031 -0.0598 -0.0120 234 ARG C CD    
1160 N NE    . ARG C 73  ? 0.3346 0.4316 0.5273 -0.1189 -0.0560 0.0017  234 ARG C NE    
1161 C CZ    . ARG C 73  ? 0.2988 0.4261 0.5038 -0.1149 -0.0451 0.0133  234 ARG C CZ    
1162 N NH1   . ARG C 73  ? 0.2760 0.4187 0.4758 -0.0962 -0.0390 0.0129  234 ARG C NH1   
1163 N NH2   . ARG C 73  ? 0.3719 0.5125 0.5932 -0.1313 -0.0393 0.0250  234 ARG C NH2   
1164 N N     . ALA C 74  ? 0.2670 0.3484 0.4098 -0.0432 -0.0320 -0.0114 235 ALA C N     
1165 C CA    . ALA C 74  ? 0.2908 0.3829 0.4364 -0.0370 -0.0249 -0.0012 235 ALA C CA    
1166 C C     . ALA C 74  ? 0.2703 0.3875 0.4162 -0.0310 -0.0199 -0.0002 235 ALA C C     
1167 O O     . ALA C 74  ? 0.2698 0.4012 0.4198 -0.0303 -0.0144 0.0080  235 ALA C O     
1168 C CB    . ALA C 74  ? 0.2351 0.3104 0.3756 -0.0260 -0.0236 -0.0036 235 ALA C CB    
1169 N N     . LEU C 75  ? 0.2667 0.3862 0.4050 -0.0263 -0.0211 -0.0086 236 LEU C N     
1170 C CA    . LEU C 75  ? 0.2478 0.3837 0.3834 -0.0198 -0.0175 -0.0065 236 LEU C CA    
1171 C C     . LEU C 75  ? 0.2723 0.4301 0.4211 -0.0235 -0.0202 -0.0003 236 LEU C C     
1172 O O     . LEU C 75  ? 0.3203 0.4916 0.4727 -0.0169 -0.0149 0.0044  236 LEU C O     
1173 C CB    . LEU C 75  ? 0.2528 0.3825 0.3727 -0.0160 -0.0188 -0.0146 236 LEU C CB    
1174 C CG    . LEU C 75  ? 0.2698 0.3874 0.3803 -0.0105 -0.0117 -0.0210 236 LEU C CG    
1175 C CD1   . LEU C 75  ? 0.2614 0.3737 0.3526 -0.0097 -0.0107 -0.0281 236 LEU C CD1   
1176 C CD2   . LEU C 75  ? 0.2380 0.3617 0.3519 -0.0052 -0.0048 -0.0157 236 LEU C CD2   
1177 N N     . ARG C 76  ? 0.2001 0.3626 0.3584 -0.0340 -0.0283 -0.0012 237 ARG C N     
1178 C CA    . ARG C 76  ? 0.2512 0.4421 0.4298 -0.0380 -0.0313 0.0040  237 ARG C CA    
1179 C C     . ARG C 76  ? 0.2660 0.4715 0.4588 -0.0393 -0.0203 0.0129  237 ARG C C     
1180 O O     . ARG C 76  ? 0.2542 0.4867 0.4632 -0.0352 -0.0168 0.0166  237 ARG C O     
1181 C CB    . ARG C 76  ? 0.2130 0.4068 0.4013 -0.0527 -0.0434 0.0004  237 ARG C CB    
1182 C CG    . ARG C 76  ? 0.4209 0.6055 0.5920 -0.0511 -0.0555 -0.0089 237 ARG C CG    
1183 C CD    . ARG C 76  ? 0.4128 0.6099 0.5962 -0.0653 -0.0710 -0.0124 237 ARG C CD    
1184 N NE    . ARG C 76  ? 0.4076 0.5834 0.5909 -0.0812 -0.0737 -0.0170 237 ARG C NE    
1185 C CZ    . ARG C 76  ? 0.4266 0.5688 0.5855 -0.0832 -0.0775 -0.0284 237 ARG C CZ    
1186 N NH1   . ARG C 76  ? 0.4175 0.5469 0.5499 -0.0717 -0.0769 -0.0360 237 ARG C NH1   
1187 N NH2   . ARG C 76  ? 0.3482 0.4676 0.5084 -0.0972 -0.0807 -0.0324 237 ARG C NH2   
1188 N N     . ASN C 77  ? 0.3507 0.5382 0.5361 -0.0440 -0.0148 0.0163  238 ASN C N     
1189 C CA    . ASN C 77  ? 0.2566 0.4540 0.4467 -0.0465 -0.0037 0.0253  238 ASN C CA    
1190 C C     . ASN C 77  ? 0.2017 0.4081 0.3851 -0.0322 0.0052  0.0253  238 ASN C C     
1191 O O     . ASN C 77  ? 0.2777 0.5016 0.4675 -0.0320 0.0157  0.0301  238 ASN C O     
1192 C CB    . ASN C 77  ? 0.2764 0.4463 0.4528 -0.0526 -0.0028 0.0302  238 ASN C CB    
1193 C CG    . ASN C 77  ? 0.2715 0.4305 0.4553 -0.0697 -0.0085 0.0332  238 ASN C CG    
1194 O OD1   . ASN C 77  ? 0.2547 0.4345 0.4578 -0.0809 -0.0101 0.0337  238 ASN C OD1   
1195 N ND2   . ASN C 77  ? 0.2559 0.3818 0.4262 -0.0719 -0.0125 0.0351  238 ASN C ND2   
1196 N N     . TYR C 78  ? 0.2455 0.4390 0.4150 -0.0212 0.0025  0.0193  239 TYR C N     
1197 C CA    . TYR C 78  ? 0.2441 0.4404 0.4056 -0.0092 0.0094  0.0182  239 TYR C CA    
1198 C C     . TYR C 78  ? 0.2996 0.5201 0.4764 -0.0020 0.0121  0.0186  239 TYR C C     
1199 O O     . TYR C 78  ? 0.2311 0.4523 0.4021 0.0085  0.0195  0.0173  239 TYR C O     
1200 C CB    . TYR C 78  ? 0.2324 0.4104 0.3785 -0.0026 0.0056  0.0123  239 TYR C CB    
1201 C CG    . TYR C 78  ? 0.2047 0.3648 0.3394 -0.0043 0.0058  0.0110  239 TYR C CG    
1202 C CD1   . TYR C 78  ? 0.3397 0.4974 0.4688 -0.0056 0.0100  0.0153  239 TYR C CD1   
1203 C CD2   . TYR C 78  ? 0.2805 0.4281 0.4104 -0.0041 0.0015  0.0053  239 TYR C CD2   
1204 C CE1   . TYR C 78  ? 0.3017 0.4456 0.4229 -0.0057 0.0067  0.0150  239 TYR C CE1   
1205 C CE2   . TYR C 78  ? 0.2686 0.4055 0.3952 -0.0035 0.0009  0.0037  239 TYR C CE2   
1206 C CZ    . TYR C 78  ? 0.2983 0.4338 0.4218 -0.0039 0.0018  0.0090  239 TYR C CZ    
1207 O OH    . TYR C 78  ? 0.3081 0.4352 0.4306 -0.0019 -0.0023 0.0082  239 TYR C OH    
1208 N N     . ALA C 79  ? 0.1892 0.4289 0.3862 -0.0066 0.0051  0.0193  240 ALA C N     
1209 C CA    . ALA C 79  ? 0.2663 0.5347 0.4848 0.0022  0.0059  0.0200  240 ALA C CA    
1210 C C     . ALA C 79  ? 0.2436 0.5333 0.4753 0.0030  0.0217  0.0230  240 ALA C C     
1211 O O     . ALA C 79  ? 0.1700 0.4767 0.4130 0.0170  0.0279  0.0213  240 ALA C O     
1212 C CB    . ALA C 79  ? 0.2543 0.5430 0.4947 -0.0054 -0.0076 0.0202  240 ALA C CB    
1213 N N     . LYS C 80  ? 0.2676 0.5544 0.4959 -0.0111 0.0290  0.0274  241 LYS C N     
1214 C CA    . LYS C 80  ? 0.2318 0.5360 0.4648 -0.0125 0.0466  0.0307  241 LYS C CA    
1215 C C     . LYS C 80  ? 0.2589 0.5468 0.4668 0.0016  0.0561  0.0265  241 LYS C C     
1216 O O     . LYS C 80  ? 0.2020 0.5077 0.4154 0.0094  0.0707  0.0245  241 LYS C O     
1217 C CB    . LYS C 80  ? 0.2694 0.5654 0.4955 -0.0322 0.0507  0.0386  241 LYS C CB    
1218 C CG    . LYS C 80  ? 0.2996 0.6117 0.5518 -0.0496 0.0437  0.0425  241 LYS C CG    
1219 C CD    . LYS C 80  ? 0.4037 0.6884 0.6392 -0.0678 0.0424  0.0502  241 LYS C CD    
1220 C CE    . LYS C 80  ? 0.4823 0.7731 0.7398 -0.0864 0.0321  0.0518  241 LYS C CE    
1221 N NZ    . LYS C 80  ? 0.4835 0.7341 0.7203 -0.1000 0.0259  0.0571  241 LYS C NZ    
1222 N N     . THR C 81  ? 0.2478 0.5029 0.4291 0.0043  0.0486  0.0239  242 THR C N     
1223 C CA    . THR C 81  ? 0.2754 0.5116 0.4305 0.0128  0.0554  0.0196  242 THR C CA    
1224 C C     . THR C 81  ? 0.3202 0.5403 0.4674 0.0258  0.0492  0.0128  242 THR C C     
1225 O O     . THR C 81  ? 0.2971 0.5012 0.4245 0.0326  0.0545  0.0077  242 THR C O     
1226 C CB    . THR C 81  ? 0.3492 0.5616 0.4796 0.0031  0.0522  0.0229  242 THR C CB    
1227 O OG1   . THR C 81  ? 0.2922 0.4926 0.4264 -0.0029 0.0387  0.0244  242 THR C OG1   
1228 C CG2   . THR C 81  ? 0.3767 0.5970 0.5024 -0.0081 0.0619  0.0309  242 THR C CG2   
1229 N N     . GLY C 82  ? 0.2795 0.5006 0.4381 0.0280  0.0380  0.0129  243 GLY C N     
1230 C CA    . GLY C 82  ? 0.3007 0.5073 0.4517 0.0401  0.0334  0.0092  243 GLY C CA    
1231 C C     . GLY C 82  ? 0.3053 0.4823 0.4330 0.0367  0.0284  0.0067  243 GLY C C     
1232 O O     . GLY C 82  ? 0.3436 0.5039 0.4608 0.0445  0.0266  0.0046  243 GLY C O     
1233 N N     . GLU C 83  ? 0.3433 0.5134 0.4642 0.0256  0.0263  0.0073  244 GLU C N     
1234 C CA    . GLU C 83  ? 0.2655 0.4151 0.3716 0.0224  0.0225  0.0042  244 GLU C CA    
1235 C C     . GLU C 83  ? 0.3187 0.4630 0.4246 0.0228  0.0161  0.0041  244 GLU C C     
1236 O O     . GLU C 83  ? 0.3342 0.4621 0.4271 0.0243  0.0164  0.0023  244 GLU C O     
1237 C CB    . GLU C 83  ? 0.2892 0.4367 0.3940 0.0134  0.0201  0.0049  244 GLU C CB    
1238 C CG    . GLU C 83  ? 0.2891 0.4333 0.3826 0.0121  0.0239  0.0051  244 GLU C CG    
1239 C CD    . GLU C 83  ? 0.2677 0.4247 0.3654 0.0092  0.0289  0.0109  244 GLU C CD    
1240 O OE1   . GLU C 83  ? 0.3207 0.4918 0.4349 0.0080  0.0292  0.0141  244 GLU C OE1   
1241 O OE2   . GLU C 83  ? 0.3500 0.5032 0.4332 0.0067  0.0321  0.0126  244 GLU C OE2   
1242 N N     . ILE C 84  ? 0.2987 0.4548 0.4158 0.0197  0.0104  0.0062  245 ILE C N     
1243 C CA    . ILE C 84  ? 0.1903 0.3412 0.3018 0.0192  0.0034  0.0057  245 ILE C CA    
1244 C C     . ILE C 84  ? 0.2297 0.3992 0.3562 0.0208  -0.0042 0.0086  245 ILE C C     
1245 O O     . ILE C 84  ? 0.2725 0.4584 0.4160 0.0151  -0.0045 0.0096  245 ILE C O     
1246 C CB    . ILE C 84  ? 0.3027 0.4457 0.4091 0.0107  0.0020  0.0015  245 ILE C CB    
1247 C CG1   . ILE C 84  ? 0.3470 0.4775 0.4439 0.0094  0.0081  -0.0017 245 ILE C CG1   
1248 C CG2   . ILE C 84  ? 0.2100 0.3491 0.3072 0.0089  -0.0045 -0.0002 245 ILE C CG2   
1249 C CD1   . ILE C 84  ? 0.2379 0.3660 0.3367 0.0042  0.0084  -0.0069 245 ILE C CD1   
1250 N N     . ARG C 85  ? 0.2473 0.4146 0.3678 0.0275  -0.0113 0.0106  246 ARG C N     
1251 C CA    . ARG C 85  ? 0.3071 0.4937 0.4418 0.0278  -0.0230 0.0127  246 ARG C CA    
1252 C C     . ARG C 85  ? 0.2717 0.4450 0.3857 0.0228  -0.0332 0.0111  246 ARG C C     
1253 O O     . ARG C 85  ? 0.3163 0.4665 0.4046 0.0230  -0.0298 0.0105  246 ARG C O     
1254 C CB    . ARG C 85  ? 0.2526 0.4523 0.4002 0.0427  -0.0265 0.0172  246 ARG C CB    
1255 C CG    . ARG C 85  ? 0.3216 0.4971 0.4453 0.0532  -0.0315 0.0209  246 ARG C CG    
1256 C CD    . ARG C 85  ? 0.2704 0.4618 0.4107 0.0692  -0.0421 0.0260  246 ARG C CD    
1257 N NE    . ARG C 85  ? 0.3594 0.5209 0.4746 0.0812  -0.0465 0.0316  246 ARG C NE    
1258 C CZ    . ARG C 85  ? 0.4229 0.5878 0.5424 0.0964  -0.0608 0.0382  246 ARG C CZ    
1259 N NH1   . ARG C 85  ? 0.3871 0.5899 0.5391 0.1012  -0.0730 0.0391  246 ARG C NH1   
1260 N NH2   . ARG C 85  ? 0.4013 0.5306 0.4928 0.1064  -0.0641 0.0447  246 ARG C NH2   
1261 N N     . LYS C 86  ? 0.2845 0.4731 0.4089 0.0166  -0.0451 0.0098  247 LYS C N     
1262 C CA    . LYS C 86  ? 0.3240 0.5014 0.4253 0.0123  -0.0571 0.0074  247 LYS C CA    
1263 C C     . LYS C 86  ? 0.4050 0.5786 0.4930 0.0241  -0.0674 0.0146  247 LYS C C     
1264 O O     . LYS C 86  ? 0.4039 0.5975 0.5149 0.0346  -0.0736 0.0201  247 LYS C O     
1265 C CB    . LYS C 86  ? 0.3567 0.5506 0.4730 0.0010  -0.0694 0.0029  247 LYS C CB    
1266 C CG    . LYS C 86  ? 0.3442 0.5235 0.4314 -0.0056 -0.0819 -0.0028 247 LYS C CG    
1267 C CD    . LYS C 86  ? 0.3991 0.5498 0.4576 -0.0100 -0.0696 -0.0105 247 LYS C CD    
1268 C CE    . LYS C 86  ? 0.4324 0.5677 0.4586 -0.0173 -0.0791 -0.0189 247 LYS C CE    
1269 N NZ    . LYS C 86  ? 0.4742 0.6061 0.4747 -0.0115 -0.0915 -0.0120 247 LYS C NZ    
1270 N N     . VAL C 87  ? 0.3873 0.5350 0.4380 0.0230  -0.0686 0.0151  248 VAL C N     
1271 C CA    . VAL C 87  ? 0.4513 0.5889 0.4813 0.0327  -0.0813 0.0240  248 VAL C CA    
1272 C C     . VAL C 87  ? 0.4793 0.6235 0.4969 0.0267  -0.1013 0.0221  248 VAL C C     
1273 O O     . VAL C 87  ? 0.4370 0.5785 0.4450 0.0134  -0.1005 0.0122  248 VAL C O     
1274 C CB    . VAL C 87  ? 0.4918 0.5940 0.4832 0.0328  -0.0703 0.0280  248 VAL C CB    
1275 C CG1   . VAL C 87  ? 0.3788 0.4626 0.3397 0.0411  -0.0847 0.0393  248 VAL C CG1   
1276 C CG2   . VAL C 87  ? 0.4906 0.5866 0.4955 0.0379  -0.0542 0.0291  248 VAL C CG2   
1277 N N     . LYS C 88  ? 0.5113 0.6628 0.5283 0.0373  -0.1208 0.0308  249 LYS C N     
1278 C CA    . LYS C 88  ? 0.6304 0.7902 0.6349 0.0320  -0.1445 0.0297  249 LYS C CA    
1279 C C     . LYS C 88  ? 0.5870 0.7110 0.5311 0.0254  -0.1464 0.0298  249 LYS C C     
1280 O O     . LYS C 88  ? 0.7155 0.8301 0.6309 0.0307  -0.1659 0.0383  249 LYS C O     
1281 C CB    . LYS C 88  ? 0.6694 0.8555 0.7010 0.0473  -0.1666 0.0393  249 LYS C CB    
1282 C CG    . LYS C 88  ? 0.6265 0.8544 0.7197 0.0498  -0.1613 0.0360  249 LYS C CG    
1283 C CD    . LYS C 88  ? 0.8128 1.0680 0.9420 0.0708  -0.1725 0.0449  249 LYS C CD    
1284 C CE    . LYS C 88  ? 0.8581 1.1556 1.0455 0.0699  -0.1606 0.0400  249 LYS C CE    
1285 N NZ    . LYS C 88  ? 0.6022 0.9392 0.8358 0.0896  -0.1716 0.0455  249 LYS C NZ    
1286 N N     . ARG C 89  ? 0.5558 0.6609 0.4804 0.0142  -0.1256 0.0206  250 ARG C N     
1287 C CA    . ARG C 89  ? 0.6247 0.6989 0.4942 0.0059  -0.1196 0.0177  250 ARG C CA    
1288 C C     . ARG C 89  ? 0.5385 0.6119 0.4110 -0.0066 -0.1035 0.0007  250 ARG C C     
1289 O O     . ARG C 89  ? 0.5852 0.6717 0.4955 -0.0068 -0.0913 -0.0040 250 ARG C O     
1290 C CB    . ARG C 89  ? 0.5694 0.6159 0.4119 0.0109  -0.1044 0.0289  250 ARG C CB    
1291 C CG    . ARG C 89  ? 0.7630 0.7815 0.5546 -0.0005 -0.0885 0.0248  250 ARG C CG    
1292 C CD    . ARG C 89  ? 0.9319 0.9222 0.6680 0.0006  -0.0993 0.0386  250 ARG C CD    
1293 N NE    . ARG C 89  ? 0.8954 0.8606 0.5839 -0.0118 -0.0782 0.0355  250 ARG C NE    
1294 C CZ    . ARG C 89  ? 0.9696 0.9295 0.6233 -0.0223 -0.0755 0.0231  250 ARG C CZ    
1295 N NH1   . ARG C 89  ? 1.0258 0.9997 0.6842 -0.0234 -0.0947 0.0123  250 ARG C NH1   
1296 N NH2   . ARG C 89  ? 0.9492 0.8895 0.5628 -0.0327 -0.0519 0.0203  250 ARG C NH2   
1297 N N     . LYS C 90  ? 0.6188 0.6751 0.4493 -0.0160 -0.1044 -0.0088 251 LYS C N     
1298 C CA    . LYS C 90  ? 0.6120 0.6653 0.4446 -0.0255 -0.0921 -0.0271 251 LYS C CA    
1299 C C     . LYS C 90  ? 0.4606 0.5127 0.3138 -0.0237 -0.0652 -0.0301 251 LYS C C     
1300 O O     . LYS C 90  ? 0.5153 0.5560 0.3514 -0.0219 -0.0496 -0.0240 251 LYS C O     
1301 C CB    . LYS C 90  ? 0.6079 0.6379 0.3834 -0.0337 -0.0923 -0.0375 251 LYS C CB    
1302 C CG    . LYS C 90  ? 0.6663 0.6882 0.4402 -0.0407 -0.0777 -0.0587 251 LYS C CG    
1303 C CD    . LYS C 90  ? 0.7875 0.7869 0.5026 -0.0486 -0.0805 -0.0717 251 LYS C CD    
1304 C CE    . LYS C 90  ? 0.7455 0.7273 0.4107 -0.0484 -0.0659 -0.0637 251 LYS C CE    
1305 N NZ    . LYS C 90  ? 1.0623 1.0215 0.6629 -0.0566 -0.0697 -0.0756 251 LYS C NZ    
1306 N N     . LEU C 91  ? 0.5120 0.5758 0.4023 -0.0254 -0.0613 -0.0388 252 LEU C N     
1307 C CA    . LEU C 91  ? 0.4970 0.5621 0.4106 -0.0232 -0.0403 -0.0428 252 LEU C CA    
1308 C C     . LEU C 91  ? 0.4209 0.4905 0.3468 -0.0167 -0.0306 -0.0297 252 LEU C C     
1309 O O     . LEU C 91  ? 0.4773 0.5447 0.4087 -0.0163 -0.0128 -0.0320 252 LEU C O     
1310 C CB    . LEU C 91  ? 0.5092 0.5587 0.3974 -0.0265 -0.0233 -0.0571 252 LEU C CB    
1311 C CG    . LEU C 91  ? 0.6581 0.6956 0.5265 -0.0325 -0.0307 -0.0736 252 LEU C CG    
1312 C CD1   . LEU C 91  ? 0.5983 0.6205 0.4349 -0.0335 -0.0108 -0.0878 252 LEU C CD1   
1313 C CD2   . LEU C 91  ? 0.6287 0.6709 0.5341 -0.0336 -0.0363 -0.0804 252 LEU C CD2   
1314 N N     . THR C 92  ? 0.4097 0.4861 0.3420 -0.0111 -0.0430 -0.0167 253 THR C N     
1315 C CA    . THR C 92  ? 0.4366 0.5097 0.3730 -0.0046 -0.0355 -0.0052 253 THR C CA    
1316 C C     . THR C 92  ? 0.4136 0.5054 0.3915 0.0018  -0.0374 -0.0012 253 THR C C     
1317 O O     . THR C 92  ? 0.4454 0.5547 0.4443 0.0035  -0.0505 -0.0005 253 THR C O     
1318 C CB    . THR C 92  ? 0.4217 0.4809 0.3271 -0.0002 -0.0466 0.0069  253 THR C CB    
1319 O OG1   . THR C 92  ? 0.6199 0.6604 0.4800 -0.0079 -0.0441 0.0035  253 THR C OG1   
1320 C CG2   . THR C 92  ? 0.3831 0.4298 0.2878 0.0055  -0.0378 0.0177  253 THR C CG2   
1321 N N     . TYR C 93  ? 0.3944 0.4834 0.3830 0.0040  -0.0239 0.0009  254 TYR C N     
1322 C CA    . TYR C 93  ? 0.3097 0.4131 0.3304 0.0095  -0.0224 0.0034  254 TYR C CA    
1323 C C     . TYR C 93  ? 0.3582 0.4488 0.3731 0.0151  -0.0154 0.0101  254 TYR C C     
1324 O O     . TYR C 93  ? 0.4258 0.4962 0.4143 0.0126  -0.0108 0.0133  254 TYR C O     
1325 C CB    . TYR C 93  ? 0.3033 0.4147 0.3440 0.0044  -0.0141 -0.0043 254 TYR C CB    
1326 C CG    . TYR C 93  ? 0.2861 0.4047 0.3348 -0.0014 -0.0209 -0.0112 254 TYR C CG    
1327 C CD1   . TYR C 93  ? 0.3096 0.4170 0.3397 -0.0068 -0.0194 -0.0202 254 TYR C CD1   
1328 C CD2   . TYR C 93  ? 0.3688 0.5034 0.4427 -0.0024 -0.0273 -0.0094 254 TYR C CD2   
1329 C CE1   . TYR C 93  ? 0.3820 0.4895 0.4169 -0.0123 -0.0262 -0.0281 254 TYR C CE1   
1330 C CE2   . TYR C 93  ? 0.2855 0.4218 0.3659 -0.0104 -0.0339 -0.0154 254 TYR C CE2   
1331 C CZ    . TYR C 93  ? 0.3829 0.5033 0.4430 -0.0149 -0.0343 -0.0252 254 TYR C CZ    
1332 O OH    . TYR C 93  ? 0.4805 0.5966 0.5444 -0.0231 -0.0415 -0.0328 254 TYR C OH    
1333 N N     . GLN C 94  ? 0.4093 0.5095 0.4466 0.0216  -0.0138 0.0118  255 GLN C N     
1334 C CA    . GLN C 94  ? 0.4142 0.4991 0.4459 0.0276  -0.0081 0.0159  255 GLN C CA    
1335 C C     . GLN C 94  ? 0.3775 0.4714 0.4286 0.0276  0.0000  0.0115  255 GLN C C     
1336 O O     . GLN C 94  ? 0.3722 0.4858 0.4441 0.0316  -0.0019 0.0109  255 GLN C O     
1337 C CB    . GLN C 94  ? 0.3580 0.4397 0.3889 0.0414  -0.0180 0.0237  255 GLN C CB    
1338 C CG    . GLN C 94  ? 0.3391 0.3967 0.3604 0.0489  -0.0125 0.0270  255 GLN C CG    
1339 C CD    . GLN C 94  ? 0.3581 0.4091 0.3786 0.0662  -0.0233 0.0348  255 GLN C CD    
1340 O OE1   . GLN C 94  ? 0.4395 0.5146 0.4775 0.0738  -0.0347 0.0367  255 GLN C OE1   
1341 N NE2   . GLN C 94  ? 0.3836 0.4013 0.3855 0.0724  -0.0209 0.0391  255 GLN C NE2   
1342 N N     . PHE C 95  ? 0.3506 0.4310 0.3938 0.0217  0.0088  0.0088  256 PHE C N     
1343 C CA    . PHE C 95  ? 0.3491 0.4327 0.4028 0.0221  0.0142  0.0050  256 PHE C CA    
1344 C C     . PHE C 95  ? 0.3834 0.4584 0.4357 0.0339  0.0142  0.0071  256 PHE C C     
1345 O O     . PHE C 95  ? 0.3736 0.4299 0.4125 0.0404  0.0114  0.0117  256 PHE C O     
1346 C CB    . PHE C 95  ? 0.3076 0.3799 0.3542 0.0120  0.0209  0.0010  256 PHE C CB    
1347 C CG    . PHE C 95  ? 0.3281 0.4134 0.3834 0.0035  0.0228  -0.0033 256 PHE C CG    
1348 C CD1   . PHE C 95  ? 0.3707 0.4720 0.4428 0.0033  0.0210  -0.0065 256 PHE C CD1   
1349 C CD2   . PHE C 95  ? 0.3103 0.3903 0.3557 -0.0037 0.0273  -0.0041 256 PHE C CD2   
1350 C CE1   . PHE C 95  ? 0.3002 0.4110 0.3822 -0.0012 0.0219  -0.0109 256 PHE C CE1   
1351 C CE2   . PHE C 95  ? 0.2647 0.3581 0.3209 -0.0088 0.0308  -0.0102 256 PHE C CE2   
1352 C CZ    . PHE C 95  ? 0.2719 0.3802 0.3480 -0.0062 0.0273  -0.0139 256 PHE C CZ    
1353 N N     . ASP C 96  ? 0.3465 0.4332 0.4106 0.0375  0.0178  0.0037  257 ASP C N     
1354 C CA    . ASP C 96  ? 0.3568 0.4334 0.4177 0.0492  0.0214  0.0021  257 ASP C CA    
1355 C C     . ASP C 96  ? 0.3949 0.4390 0.4346 0.0451  0.0247  -0.0011 257 ASP C C     
1356 O O     . ASP C 96  ? 0.3400 0.3793 0.3741 0.0314  0.0260  -0.0036 257 ASP C O     
1357 C CB    . ASP C 96  ? 0.3164 0.4117 0.3887 0.0514  0.0276  -0.0020 257 ASP C CB    
1358 C CG    . ASP C 96  ? 0.3945 0.4831 0.4651 0.0661  0.0338  -0.0059 257 ASP C CG    
1359 O OD1   . ASP C 96  ? 0.4062 0.5080 0.4919 0.0794  0.0323  -0.0030 257 ASP C OD1   
1360 O OD2   . ASP C 96  ? 0.4300 0.5008 0.4847 0.0650  0.0396  -0.0128 257 ASP C OD2   
1361 N N     . SER C 97  ? 0.4165 0.4382 0.4465 0.0570  0.0256  -0.0013 258 SER C N     
1362 C CA    . SER C 97  ? 0.4920 0.4763 0.4998 0.0515  0.0279  -0.0042 258 SER C CA    
1363 C C     . SER C 97  ? 0.4882 0.4701 0.4914 0.0418  0.0327  -0.0142 258 SER C C     
1364 O O     . SER C 97  ? 0.5778 0.5366 0.5670 0.0292  0.0331  -0.0173 258 SER C O     
1365 C CB    . SER C 97  ? 0.5107 0.4663 0.5084 0.0690  0.0271  -0.0030 258 SER C CB    
1366 O OG    . SER C 97  ? 0.5627 0.5277 0.5694 0.0834  0.0327  -0.0110 258 SER C OG    
1367 N N     . ALA C 98  ? 0.4551 0.4606 0.4684 0.0458  0.0357  -0.0188 259 ALA C N     
1368 C CA    . ALA C 98  ? 0.4317 0.4349 0.4357 0.0367  0.0378  -0.0274 259 ALA C CA    
1369 C C     . ALA C 98  ? 0.4974 0.5099 0.5058 0.0189  0.0327  -0.0267 259 ALA C C     
1370 O O     . ALA C 98  ? 0.5456 0.5528 0.5456 0.0093  0.0306  -0.0335 259 ALA C O     
1371 C CB    . ALA C 98  ? 0.4403 0.4674 0.4506 0.0436  0.0427  -0.0297 259 ALA C CB    
1372 N N     . LEU C 99  ? 0.4485 0.4758 0.4703 0.0149  0.0302  -0.0197 260 LEU C N     
1373 C CA    . LEU C 99  ? 0.4750 0.5146 0.5059 0.0011  0.0273  -0.0200 260 LEU C CA    
1374 C C     . LEU C 99  ? 0.4472 0.4710 0.4727 -0.0094 0.0291  -0.0189 260 LEU C C     
1375 O O     . LEU C 99  ? 0.4204 0.4590 0.4577 -0.0194 0.0294  -0.0189 260 LEU C O     
1376 C CB    . LEU C 99  ? 0.3938 0.4596 0.4421 0.0033  0.0253  -0.0152 260 LEU C CB    
1377 C CG    . LEU C 99  ? 0.3598 0.4422 0.4144 0.0087  0.0240  -0.0144 260 LEU C CG    
1378 C CD1   . LEU C 99  ? 0.3574 0.4581 0.4276 0.0089  0.0214  -0.0097 260 LEU C CD1   
1379 C CD2   . LEU C 99  ? 0.3334 0.4173 0.3836 0.0025  0.0205  -0.0187 260 LEU C CD2   
1380 N N     . LEU C 100 ? 0.4945 0.4876 0.5023 -0.0074 0.0314  -0.0178 261 LEU C N     
1381 C CA    . LEU C 100 ? 0.5175 0.4900 0.5149 -0.0186 0.0345  -0.0139 261 LEU C CA    
1382 C C     . LEU C 100 ? 0.5595 0.4982 0.5404 -0.0271 0.0352  -0.0191 261 LEU C C     
1383 O O     . LEU C 100 ? 0.6439 0.5684 0.6159 -0.0185 0.0335  -0.0255 261 LEU C O     
1384 C CB    . LEU C 100 ? 0.5169 0.4754 0.5025 -0.0082 0.0344  -0.0039 261 LEU C CB    
1385 C CG    . LEU C 100 ? 0.5222 0.5091 0.5203 0.0001  0.0317  0.0005  261 LEU C CG    
1386 C CD1   . LEU C 100 ? 0.4382 0.4097 0.4237 0.0134  0.0272  0.0093  261 LEU C CD1   
1387 C CD2   . LEU C 100 ? 0.4851 0.4891 0.4895 -0.0130 0.0354  0.0006  261 LEU C CD2   
1388 N N     . PRO C 101 ? 0.7395 0.6640 0.7150 -0.0454 0.0387  -0.0175 262 PRO C N     
1389 C CA    . PRO C 101 ? 0.7573 0.6423 0.7146 -0.0564 0.0389  -0.0219 262 PRO C CA    
1390 C C     . PRO C 101 ? 0.8724 0.7122 0.8040 -0.0420 0.0388  -0.0168 262 PRO C C     
1391 O O     . PRO C 101 ? 0.9392 0.7844 0.8710 -0.0214 0.0372  -0.0110 262 PRO C O     
1392 C CB    . PRO C 101 ? 0.7554 0.6417 0.7168 -0.0811 0.0448  -0.0184 262 PRO C CB    
1393 C CG    . PRO C 101 ? 0.7896 0.7014 0.7592 -0.0768 0.0498  -0.0096 262 PRO C CG    
1394 C CD    . PRO C 101 ? 0.7156 0.6605 0.7022 -0.0587 0.0442  -0.0128 262 PRO C CD    
1395 N N     . ALA C 102 ? 0.8163 0.6109 0.7273 -0.0526 0.0394  -0.0189 263 ALA C N     
1396 C CA    . ALA C 102 ? 0.8862 0.6306 0.7718 -0.0372 0.0383  -0.0144 263 ALA C CA    
1397 C C     . ALA C 102 ? 0.9593 0.6855 0.8310 -0.0378 0.0398  0.0031  263 ALA C C     
1398 O O     . ALA C 102 ? 1.1095 0.8420 0.9806 -0.0598 0.0451  0.0095  263 ALA C O     
1399 C CB    . ALA C 102 ? 0.8890 0.5842 0.7539 -0.0488 0.0377  -0.0239 263 ALA C CB    
1400 O "O5'" . 3D1 D .   ? 0.9258 0.9623 0.3531 0.1817  0.0159  -0.1965 101 3D1 A "O5'" 
1401 C "C5'" . 3D1 D .   ? 0.9452 0.9400 0.4093 0.1866  -0.0067 -0.2103 101 3D1 A "C5'" 
1402 C "C4'" . 3D1 D .   ? 0.8941 0.9324 0.3968 0.1987  -0.0146 -0.2271 101 3D1 A "C4'" 
1403 O "O4'" . 3D1 D .   ? 0.8691 0.9513 0.3602 0.1691  0.0145  -0.2100 101 3D1 A "O4'" 
1404 C "C1'" . 3D1 D .   ? 0.8260 0.8789 0.3408 0.1456  0.0126  -0.2040 101 3D1 A "C1'" 
1405 N N9    . 3D1 D .   ? 0.8744 0.9207 0.3677 0.1013  0.0401  -0.1700 101 3D1 A N9    
1406 C C4    . 3D1 D .   ? 0.8493 0.8400 0.3157 0.0784  0.0453  -0.1489 101 3D1 A C4    
1407 N N3    . 3D1 D .   ? 0.8870 0.8207 0.3415 0.0912  0.0294  -0.1543 101 3D1 A N3    
1408 C C2    . 3D1 D .   ? 0.8865 0.7777 0.3133 0.0636  0.0384  -0.1312 101 3D1 A C2    
1409 N N1    . 3D1 D .   ? 0.9438 0.8382 0.3547 0.0270  0.0569  -0.1048 101 3D1 A N1    
1410 C C6    . 3D1 D .   ? 0.9549 0.9062 0.3808 0.0127  0.0719  -0.0980 101 3D1 A C6    
1411 N N6    . 3D1 D .   ? 1.0170 0.9693 0.4304 -0.0247 0.0866  -0.0709 101 3D1 A N6    
1412 C C5    . 3D1 D .   ? 0.8935 0.8983 0.3484 0.0399  0.0676  -0.1213 101 3D1 A C5    
1413 N N7    . 3D1 D .   ? 0.8348 0.9061 0.3109 0.0371  0.0786  -0.1237 101 3D1 A N7    
1414 C C8    . 3D1 D .   ? 0.8727 0.9674 0.3698 0.0751  0.0623  -0.1538 101 3D1 A C8    
1415 C "C2'" . 3D1 D .   ? 0.8142 0.7988 0.3514 0.1574  -0.0163 -0.2134 101 3D1 A "C2'" 
1416 C "C3'" . 3D1 D .   ? 0.8915 0.8884 0.4353 0.2009  -0.0401 -0.2393 101 3D1 A "C3'" 
1417 O "O3'" . 3D1 D .   ? 0.8833 0.9206 0.4646 0.2228  -0.0564 -0.2603 101 3D1 A "O3'" 
1418 O "O5'" . THM E .   ? 1.2452 1.0166 0.7068 0.0097  -0.0027 0.1308  101 THM B "O5'" 
1419 C "C5'" . THM E .   ? 1.1538 0.9504 0.6388 -0.0295 0.0205  0.1520  101 THM B "C5'" 
1420 C "C4'" . THM E .   ? 1.0519 0.8847 0.6181 -0.0314 0.0226  0.1331  101 THM B "C4'" 
1421 O "O4'" . THM E .   ? 1.0691 0.8609 0.6582 -0.0146 -0.0064 0.1123  101 THM B "O4'" 
1422 C "C3'" . THM E .   ? 1.1185 0.9703 0.7115 -0.0701 0.0403  0.1516  101 THM B "C3'" 
1423 O "O3'" . THM E .   ? 1.0388 0.9416 0.6993 -0.0678 0.0495  0.1354  101 THM B "O3'" 
1424 C "C2'" . THM E .   ? 1.0596 0.8449 0.6489 -0.0740 0.0147  0.1504  101 THM B "C2'" 
1425 C "C1'" . THM E .   ? 0.9550 0.7404 0.5781 -0.0377 -0.0057 0.1175  101 THM B "C1'" 
1426 N N1    . THM E .   ? 0.9699 0.7001 0.5858 -0.0232 -0.0367 0.1050  101 THM B N1    
1427 C C2    . THM E .   ? 0.9561 0.6986 0.6126 0.0034  -0.0540 0.0741  101 THM B C2    
1428 O O2    . THM E .   ? 0.9708 0.7560 0.6635 0.0126  -0.0463 0.0591  101 THM B O2    
1429 N N3    . THM E .   ? 0.9418 0.6445 0.5932 0.0190  -0.0826 0.0602  101 THM B N3    
1430 C C4    . THM E .   ? 1.0840 0.7256 0.6887 0.0145  -0.0985 0.0734  101 THM B C4    
1431 O O4    . THM E .   ? 1.0583 0.6708 0.6621 0.0371  -0.1273 0.0542  101 THM B O4    
1432 C C5    . THM E .   ? 1.0922 0.7103 0.6510 -0.0178 -0.0805 0.1086  101 THM B C5    
1433 C C5M   . THM E .   ? 1.1108 0.6487 0.6104 -0.0286 -0.0997 0.1264  101 THM B C5M   
1434 C C6    . THM E .   ? 0.9702 0.6395 0.5401 -0.0368 -0.0492 0.1226  101 THM B C6    
# 
