data_9EFF
# 
_entry.id   9EFF 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.404 
_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   9EFF         pdb_00009eff 10.2210/pdb9eff/pdb 
WWPDB D_1000290238 ?            ?                   
# 
loop_
_pdbx_audit_revision_history.ordinal 
_pdbx_audit_revision_history.data_content_type 
_pdbx_audit_revision_history.major_revision 
_pdbx_audit_revision_history.minor_revision 
_pdbx_audit_revision_history.revision_date 
_pdbx_audit_revision_history.part_number 
1 'Structure model' 1 0 2025-06-11 ? 
2 'Structure model' 1 1 2025-06-18 ? 
# 
_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_audit_revision_group.ordinal             1 
_pdbx_audit_revision_group.revision_ordinal    2 
_pdbx_audit_revision_group.data_content_type   'Structure model' 
_pdbx_audit_revision_group.group               'Database references' 
# 
loop_
_pdbx_audit_revision_category.ordinal 
_pdbx_audit_revision_category.revision_ordinal 
_pdbx_audit_revision_category.data_content_type 
_pdbx_audit_revision_category.category 
1 2 'Structure model' citation        
2 2 'Structure model' citation_author 
# 
loop_
_pdbx_audit_revision_item.ordinal 
_pdbx_audit_revision_item.revision_ordinal 
_pdbx_audit_revision_item.data_content_type 
_pdbx_audit_revision_item.item 
1  2 'Structure model' '_citation.country'                 
2  2 'Structure model' '_citation.journal_abbrev'          
3  2 'Structure model' '_citation.journal_id_CSD'          
4  2 'Structure model' '_citation.journal_id_ISSN'         
5  2 'Structure model' '_citation.journal_volume'          
6  2 'Structure model' '_citation.page_first'              
7  2 'Structure model' '_citation.page_last'               
8  2 'Structure model' '_citation.pdbx_database_id_DOI'    
9  2 'Structure model' '_citation.pdbx_database_id_PubMed' 
10 2 'Structure model' '_citation.title'                   
11 2 'Structure model' '_citation.year'                    
12 2 'Structure model' '_citation_author.identifier_ORCID' 
# 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.entry_id                        9EFF 
_pdbx_database_status.recvd_initial_deposition_date   2024-11-20 
_pdbx_database_status.SG_entry                        N 
_pdbx_database_status.deposit_site                    RCSB 
_pdbx_database_status.process_site                    RCSB 
_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_contact_author.id                 3 
_pdbx_contact_author.email              bell.2007@osu.edu 
_pdbx_contact_author.name_first         Stephen 
_pdbx_contact_author.name_last          Bell 
_pdbx_contact_author.name_mi            D 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0002-8474-6592 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Dhanaraju, R.'          1 0000-0001-7056-8249 
'Gonzalez-Gutierrez, G.' 2 0000-0002-1044-943X 
'Bell, S.D.'             3 0000-0002-8474-6592 
# 
_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                   UK 
_citation.database_id_Medline       ? 
_citation.details                   ? 
_citation.id                        primary 
_citation.journal_abbrev            'Nat Commun' 
_citation.journal_id_ASTM           ? 
_citation.journal_id_CSD            ? 
_citation.journal_id_ISSN           2041-1723 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            16 
_citation.language                  ? 
_citation.page_first                5230 
_citation.page_last                 5230 
_citation.title                     'An archaeal nucleoid-associated protein binds an essential motif in DNA replication origins.' 
_citation.year                      2025 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      10.1038/s41467-025-60618-3 
_citation.pdbx_database_id_PubMed   40473630 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Dhanaraju, R.'          1 ?                   
primary 'Samson, R.Y.'           2 ?                   
primary 'Feng, X.'               3 0000-0001-5913-9638 
primary 'Costa, A.'              4 0000-0003-1126-2498 
primary 'Gonzalez-Gutierrez, G.' 5 0000-0002-1044-943X 
primary 'Bell, S.D.'             6 0000-0002-8474-6592 
# 
loop_
_entity.id 
_entity.type 
_entity.src_method 
_entity.pdbx_description 
_entity.formula_weight 
_entity.pdbx_number_of_molecules 
_entity.pdbx_ec 
_entity.pdbx_mutation 
_entity.pdbx_fragment 
_entity.details 
1 polymer man 'Plasmid pARN4' 13541.043 2   ? ? ? ? 
2 polymer syn ucm-1           3808.196  2   ? ? ? ? 
3 polymer syn ucm-2           3772.140  2   ? ? ? ? 
4 water   nat water           18.015    366 ? ? ? ? 
# 
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 'polypeptide(L)'        no no  
;MIVMRVKVNEKQFDMIIDKLKLMVYEYNTKIKEYGVYLKPYHIVYKNSKRYIYIGKYWYKLEKIGGKLKWIYLGKTKPIQ
NMPNPPQIPESTIIKEDNEYIVDEKILYDLE
;
;MIVMRVKVNEKQFDMIIDKLKLMVYEYNTKIKEYGVYLKPYHIVYKNSKRYIYIGKYWYKLEKIGGKLKWIYLGKTKPIQ
NMPNPPQIPESTIIKEDNEYIVDEKILYDLE
;
A,B ? 
2 polydeoxyribonucleotide no yes '(DA)(BRU)(DT)(DA)(BRU)(DA)(DC)(DA)(DA)(DA)(DA)(DG)' AUTAUACAAAAG D,C ? 
3 polydeoxyribonucleotide no yes '(DC)(BRU)(DT)(DT)(DT)(DG)(DT)(DA)(BRU)(DA)(DA)(DT)' CUTTTGTAUAAT E,F ? 
# 
_pdbx_entity_nonpoly.entity_id   4 
_pdbx_entity_nonpoly.name        water 
_pdbx_entity_nonpoly.comp_id     HOH 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   MET n 
1 2   ILE n 
1 3   VAL n 
1 4   MET n 
1 5   ARG n 
1 6   VAL n 
1 7   LYS n 
1 8   VAL n 
1 9   ASN n 
1 10  GLU n 
1 11  LYS n 
1 12  GLN n 
1 13  PHE n 
1 14  ASP n 
1 15  MET n 
1 16  ILE n 
1 17  ILE n 
1 18  ASP n 
1 19  LYS n 
1 20  LEU n 
1 21  LYS n 
1 22  LEU n 
1 23  MET n 
1 24  VAL n 
1 25  TYR n 
1 26  GLU n 
1 27  TYR n 
1 28  ASN n 
1 29  THR n 
1 30  LYS n 
1 31  ILE n 
1 32  LYS n 
1 33  GLU n 
1 34  TYR n 
1 35  GLY n 
1 36  VAL n 
1 37  TYR n 
1 38  LEU n 
1 39  LYS n 
1 40  PRO n 
1 41  TYR n 
1 42  HIS n 
1 43  ILE n 
1 44  VAL n 
1 45  TYR n 
1 46  LYS n 
1 47  ASN n 
1 48  SER n 
1 49  LYS n 
1 50  ARG n 
1 51  TYR n 
1 52  ILE n 
1 53  TYR n 
1 54  ILE n 
1 55  GLY n 
1 56  LYS n 
1 57  TYR n 
1 58  TRP n 
1 59  TYR n 
1 60  LYS n 
1 61  LEU n 
1 62  GLU n 
1 63  LYS n 
1 64  ILE n 
1 65  GLY n 
1 66  GLY n 
1 67  LYS n 
1 68  LEU n 
1 69  LYS n 
1 70  TRP n 
1 71  ILE n 
1 72  TYR n 
1 73  LEU n 
1 74  GLY n 
1 75  LYS n 
1 76  THR n 
1 77  LYS n 
1 78  PRO n 
1 79  ILE n 
1 80  GLN n 
1 81  ASN n 
1 82  MET n 
1 83  PRO n 
1 84  ASN n 
1 85  PRO n 
1 86  PRO n 
1 87  GLN n 
1 88  ILE n 
1 89  PRO n 
1 90  GLU n 
1 91  SER n 
1 92  THR n 
1 93  ILE n 
1 94  ILE n 
1 95  LYS n 
1 96  GLU n 
1 97  ASP n 
1 98  ASN n 
1 99  GLU n 
1 100 TYR n 
1 101 ILE n 
1 102 VAL n 
1 103 ASP n 
1 104 GLU n 
1 105 LYS n 
1 106 ILE n 
1 107 LEU n 
1 108 TYR n 
1 109 ASP n 
1 110 LEU n 
1 111 GLU n 
2 1   DA  n 
2 2   BRU n 
2 3   DT  n 
2 4   DA  n 
2 5   BRU n 
2 6   DA  n 
2 7   DC  n 
2 8   DA  n 
2 9   DA  n 
2 10  DA  n 
2 11  DA  n 
2 12  DG  n 
3 1   DC  n 
3 2   BRU n 
3 3   DT  n 
3 4   DT  n 
3 5   DT  n 
3 6   DG  n 
3 7   DT  n 
3 8   DA  n 
3 9   BRU n 
3 10  DA  n 
3 11  DA  n 
3 12  DT  n 
# 
_entity_src_gen.entity_id                          1 
_entity_src_gen.pdbx_src_id                        1 
_entity_src_gen.pdbx_alt_source_flag               sample 
_entity_src_gen.pdbx_seq_type                      'Biological sequence' 
_entity_src_gen.pdbx_beg_seq_num                   1 
_entity_src_gen.pdbx_end_seq_num                   111 
_entity_src_gen.gene_src_common_name               ? 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 SiRe_1573 
_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      'Sulfolobus islandicus REY15A' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     930945 
_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(DE3)' 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     469008 
_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 
2 1 sample 1 12 'Sulfolobus islandicus REY15A' ? 930945 ? 
3 1 sample 1 12 'Sulfolobus islandicus REY15A' ? 930945 ? 
# 
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 
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 
BRU 'DNA linking'       n "5-BROMO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE" ? 'C9 H12 Br N2 O8 P' 387.078 
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 
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   MET 1   1   ?   ?   ?   A . n 
A 1 2   ILE 2   2   ?   ?   ?   A . n 
A 1 3   VAL 3   3   ?   ?   ?   A . n 
A 1 4   MET 4   4   4   MET MET A . n 
A 1 5   ARG 5   5   5   ARG ARG A . n 
A 1 6   VAL 6   6   6   VAL VAL A . n 
A 1 7   LYS 7   7   7   LYS LYS A . n 
A 1 8   VAL 8   8   8   VAL VAL A . n 
A 1 9   ASN 9   9   9   ASN ASN A . n 
A 1 10  GLU 10  10  10  GLU GLU A . n 
A 1 11  LYS 11  11  11  LYS LYS A . n 
A 1 12  GLN 12  12  12  GLN GLN A . n 
A 1 13  PHE 13  13  13  PHE PHE A . n 
A 1 14  ASP 14  14  14  ASP ASP A . n 
A 1 15  MET 15  15  15  MET MET A . n 
A 1 16  ILE 16  16  16  ILE ILE A . n 
A 1 17  ILE 17  17  17  ILE ILE A . n 
A 1 18  ASP 18  18  18  ASP ASP A . n 
A 1 19  LYS 19  19  19  LYS LYS A . n 
A 1 20  LEU 20  20  20  LEU LEU A . n 
A 1 21  LYS 21  21  21  LYS LYS A . n 
A 1 22  LEU 22  22  22  LEU LEU A . n 
A 1 23  MET 23  23  23  MET MET A . n 
A 1 24  VAL 24  24  24  VAL VAL A . n 
A 1 25  TYR 25  25  25  TYR TYR A . n 
A 1 26  GLU 26  26  26  GLU GLU A . n 
A 1 27  TYR 27  27  27  TYR TYR A . n 
A 1 28  ASN 28  28  28  ASN ASN A . n 
A 1 29  THR 29  29  29  THR THR A . n 
A 1 30  LYS 30  30  30  LYS LYS A . n 
A 1 31  ILE 31  31  31  ILE ILE A . n 
A 1 32  LYS 32  32  32  LYS LYS A . n 
A 1 33  GLU 33  33  33  GLU GLU A . n 
A 1 34  TYR 34  34  34  TYR TYR A . n 
A 1 35  GLY 35  35  35  GLY GLY A . n 
A 1 36  VAL 36  36  36  VAL VAL A . n 
A 1 37  TYR 37  37  37  TYR TYR A . n 
A 1 38  LEU 38  38  38  LEU LEU A . n 
A 1 39  LYS 39  39  39  LYS LYS A . n 
A 1 40  PRO 40  40  40  PRO PRO A . n 
A 1 41  TYR 41  41  41  TYR TYR A . n 
A 1 42  HIS 42  42  42  HIS HIS A . n 
A 1 43  ILE 43  43  43  ILE ILE A . n 
A 1 44  VAL 44  44  44  VAL VAL A . n 
A 1 45  TYR 45  45  45  TYR TYR A . n 
A 1 46  LYS 46  46  46  LYS LYS A . n 
A 1 47  ASN 47  47  47  ASN ASN A . n 
A 1 48  SER 48  48  48  SER SER A . n 
A 1 49  LYS 49  49  49  LYS LYS A . n 
A 1 50  ARG 50  50  50  ARG ARG A . n 
A 1 51  TYR 51  51  51  TYR TYR A . n 
A 1 52  ILE 52  52  52  ILE ILE A . n 
A 1 53  TYR 53  53  53  TYR TYR A . n 
A 1 54  ILE 54  54  54  ILE ILE A . n 
A 1 55  GLY 55  55  55  GLY GLY A . n 
A 1 56  LYS 56  56  56  LYS LYS A . n 
A 1 57  TYR 57  57  57  TYR TYR A . n 
A 1 58  TRP 58  58  58  TRP TRP A . n 
A 1 59  TYR 59  59  59  TYR TYR A . n 
A 1 60  LYS 60  60  60  LYS LYS A . n 
A 1 61  LEU 61  61  61  LEU LEU A . n 
A 1 62  GLU 62  62  62  GLU GLU A . n 
A 1 63  LYS 63  63  63  LYS LYS A . n 
A 1 64  ILE 64  64  64  ILE ILE A . n 
A 1 65  GLY 65  65  65  GLY GLY A . n 
A 1 66  GLY 66  66  66  GLY GLY A . n 
A 1 67  LYS 67  67  67  LYS LYS A . n 
A 1 68  LEU 68  68  68  LEU LEU A . n 
A 1 69  LYS 69  69  69  LYS LYS A . n 
A 1 70  TRP 70  70  70  TRP TRP A . n 
A 1 71  ILE 71  71  71  ILE ILE A . n 
A 1 72  TYR 72  72  72  TYR TYR A . n 
A 1 73  LEU 73  73  73  LEU LEU A . n 
A 1 74  GLY 74  74  74  GLY GLY A . n 
A 1 75  LYS 75  75  75  LYS LYS A . n 
A 1 76  THR 76  76  76  THR THR A . n 
A 1 77  LYS 77  77  77  LYS LYS A . n 
A 1 78  PRO 78  78  78  PRO PRO A . n 
A 1 79  ILE 79  79  79  ILE ILE A . n 
A 1 80  GLN 80  80  80  GLN GLN A . n 
A 1 81  ASN 81  81  81  ASN ASN A . n 
A 1 82  MET 82  82  82  MET MET A . n 
A 1 83  PRO 83  83  83  PRO PRO A . n 
A 1 84  ASN 84  84  84  ASN ASN A . n 
A 1 85  PRO 85  85  85  PRO PRO A . n 
A 1 86  PRO 86  86  86  PRO PRO A . n 
A 1 87  GLN 87  87  87  GLN GLN A . n 
A 1 88  ILE 88  88  88  ILE ILE A . n 
A 1 89  PRO 89  89  89  PRO PRO A . n 
A 1 90  GLU 90  90  90  GLU GLU A . n 
A 1 91  SER 91  91  91  SER SER A . n 
A 1 92  THR 92  92  92  THR THR A . n 
A 1 93  ILE 93  93  93  ILE ILE A . n 
A 1 94  ILE 94  94  94  ILE ILE A . n 
A 1 95  LYS 95  95  95  LYS LYS A . n 
A 1 96  GLU 96  96  96  GLU GLU A . n 
A 1 97  ASP 97  97  97  ASP ASP A . n 
A 1 98  ASN 98  98  98  ASN ASN A . n 
A 1 99  GLU 99  99  99  GLU GLU A . n 
A 1 100 TYR 100 100 100 TYR TYR A . n 
A 1 101 ILE 101 101 101 ILE ILE A . n 
A 1 102 VAL 102 102 102 VAL VAL A . n 
A 1 103 ASP 103 103 103 ASP ASP A . n 
A 1 104 GLU 104 104 104 GLU GLU A . n 
A 1 105 LYS 105 105 ?   ?   ?   A . n 
A 1 106 ILE 106 106 ?   ?   ?   A . n 
A 1 107 LEU 107 107 ?   ?   ?   A . n 
A 1 108 TYR 108 108 ?   ?   ?   A . n 
A 1 109 ASP 109 109 ?   ?   ?   A . n 
A 1 110 LEU 110 110 ?   ?   ?   A . n 
A 1 111 GLU 111 111 ?   ?   ?   A . n 
B 1 1   MET 1   1   ?   ?   ?   B . n 
B 1 2   ILE 2   2   ?   ?   ?   B . n 
B 1 3   VAL 3   3   ?   ?   ?   B . n 
B 1 4   MET 4   4   4   MET MET B . n 
B 1 5   ARG 5   5   5   ARG ARG B . n 
B 1 6   VAL 6   6   6   VAL VAL B . n 
B 1 7   LYS 7   7   7   LYS LYS B . n 
B 1 8   VAL 8   8   8   VAL VAL B . n 
B 1 9   ASN 9   9   9   ASN ASN B . n 
B 1 10  GLU 10  10  10  GLU GLU B . n 
B 1 11  LYS 11  11  11  LYS LYS B . n 
B 1 12  GLN 12  12  12  GLN GLN B . n 
B 1 13  PHE 13  13  13  PHE PHE B . n 
B 1 14  ASP 14  14  14  ASP ASP B . n 
B 1 15  MET 15  15  15  MET MET B . n 
B 1 16  ILE 16  16  16  ILE ILE B . n 
B 1 17  ILE 17  17  17  ILE ILE B . n 
B 1 18  ASP 18  18  18  ASP ASP B . n 
B 1 19  LYS 19  19  19  LYS LYS B . n 
B 1 20  LEU 20  20  20  LEU LEU B . n 
B 1 21  LYS 21  21  21  LYS LYS B . n 
B 1 22  LEU 22  22  22  LEU LEU B . n 
B 1 23  MET 23  23  23  MET MET B . n 
B 1 24  VAL 24  24  24  VAL VAL B . n 
B 1 25  TYR 25  25  25  TYR TYR B . n 
B 1 26  GLU 26  26  26  GLU GLU B . n 
B 1 27  TYR 27  27  27  TYR TYR B . n 
B 1 28  ASN 28  28  28  ASN ASN B . n 
B 1 29  THR 29  29  29  THR THR B . n 
B 1 30  LYS 30  30  30  LYS LYS B . n 
B 1 31  ILE 31  31  31  ILE ILE B . n 
B 1 32  LYS 32  32  32  LYS LYS B . n 
B 1 33  GLU 33  33  33  GLU GLU B . n 
B 1 34  TYR 34  34  34  TYR TYR B . n 
B 1 35  GLY 35  35  35  GLY GLY B . n 
B 1 36  VAL 36  36  36  VAL VAL B . n 
B 1 37  TYR 37  37  37  TYR TYR B . n 
B 1 38  LEU 38  38  38  LEU LEU B . n 
B 1 39  LYS 39  39  39  LYS LYS B . n 
B 1 40  PRO 40  40  40  PRO PRO B . n 
B 1 41  TYR 41  41  41  TYR TYR B . n 
B 1 42  HIS 42  42  42  HIS HIS B . n 
B 1 43  ILE 43  43  43  ILE ILE B . n 
B 1 44  VAL 44  44  44  VAL VAL B . n 
B 1 45  TYR 45  45  45  TYR TYR B . n 
B 1 46  LYS 46  46  46  LYS LYS B . n 
B 1 47  ASN 47  47  47  ASN ASN B . n 
B 1 48  SER 48  48  48  SER SER B . n 
B 1 49  LYS 49  49  49  LYS LYS B . n 
B 1 50  ARG 50  50  50  ARG ARG B . n 
B 1 51  TYR 51  51  51  TYR TYR B . n 
B 1 52  ILE 52  52  52  ILE ILE B . n 
B 1 53  TYR 53  53  53  TYR TYR B . n 
B 1 54  ILE 54  54  54  ILE ILE B . n 
B 1 55  GLY 55  55  55  GLY GLY B . n 
B 1 56  LYS 56  56  56  LYS LYS B . n 
B 1 57  TYR 57  57  57  TYR TYR B . n 
B 1 58  TRP 58  58  58  TRP TRP B . n 
B 1 59  TYR 59  59  59  TYR TYR B . n 
B 1 60  LYS 60  60  60  LYS LYS B . n 
B 1 61  LEU 61  61  61  LEU LEU B . n 
B 1 62  GLU 62  62  62  GLU GLU B . n 
B 1 63  LYS 63  63  63  LYS LYS B . n 
B 1 64  ILE 64  64  64  ILE ILE B . n 
B 1 65  GLY 65  65  65  GLY GLY B . n 
B 1 66  GLY 66  66  66  GLY GLY B . n 
B 1 67  LYS 67  67  67  LYS LYS B . n 
B 1 68  LEU 68  68  68  LEU LEU B . n 
B 1 69  LYS 69  69  69  LYS LYS B . n 
B 1 70  TRP 70  70  70  TRP TRP B . n 
B 1 71  ILE 71  71  71  ILE ILE B . n 
B 1 72  TYR 72  72  72  TYR TYR B . n 
B 1 73  LEU 73  73  73  LEU LEU B . n 
B 1 74  GLY 74  74  74  GLY GLY B . n 
B 1 75  LYS 75  75  75  LYS LYS B . n 
B 1 76  THR 76  76  76  THR THR B . n 
B 1 77  LYS 77  77  77  LYS LYS B . n 
B 1 78  PRO 78  78  78  PRO PRO B . n 
B 1 79  ILE 79  79  79  ILE ILE B . n 
B 1 80  GLN 80  80  80  GLN GLN B . n 
B 1 81  ASN 81  81  81  ASN ASN B . n 
B 1 82  MET 82  82  82  MET MET B . n 
B 1 83  PRO 83  83  83  PRO PRO B . n 
B 1 84  ASN 84  84  84  ASN ASN B . n 
B 1 85  PRO 85  85  85  PRO PRO B . n 
B 1 86  PRO 86  86  86  PRO PRO B . n 
B 1 87  GLN 87  87  87  GLN GLN B . n 
B 1 88  ILE 88  88  88  ILE ILE B . n 
B 1 89  PRO 89  89  89  PRO PRO B . n 
B 1 90  GLU 90  90  90  GLU GLU B . n 
B 1 91  SER 91  91  91  SER SER B . n 
B 1 92  THR 92  92  92  THR THR B . n 
B 1 93  ILE 93  93  93  ILE ILE B . n 
B 1 94  ILE 94  94  94  ILE ILE B . n 
B 1 95  LYS 95  95  95  LYS LYS B . n 
B 1 96  GLU 96  96  96  GLU GLU B . n 
B 1 97  ASP 97  97  97  ASP ASP B . n 
B 1 98  ASN 98  98  98  ASN ASN B . n 
B 1 99  GLU 99  99  99  GLU GLU B . n 
B 1 100 TYR 100 100 100 TYR TYR B . n 
B 1 101 ILE 101 101 101 ILE ILE B . n 
B 1 102 VAL 102 102 102 VAL VAL B . n 
B 1 103 ASP 103 103 103 ASP ASP B . n 
B 1 104 GLU 104 104 104 GLU GLU B . n 
B 1 105 LYS 105 105 105 LYS LYS B . n 
B 1 106 ILE 106 106 ?   ?   ?   B . n 
B 1 107 LEU 107 107 ?   ?   ?   B . n 
B 1 108 TYR 108 108 ?   ?   ?   B . n 
B 1 109 ASP 109 109 ?   ?   ?   B . n 
B 1 110 LEU 110 110 ?   ?   ?   B . n 
B 1 111 GLU 111 111 ?   ?   ?   B . n 
C 2 1   DA  1   20  20  DA  DA  D . n 
C 2 2   BRU 2   21  21  BRU BRU D . n 
C 2 3   DT  3   22  22  DT  DT  D . n 
C 2 4   DA  4   23  23  DA  DA  D . n 
C 2 5   BRU 5   24  24  BRU BRU D . n 
C 2 6   DA  6   25  25  DA  DA  D . n 
C 2 7   DC  7   26  26  DC  DC  D . n 
C 2 8   DA  8   27  27  DA  DA  D . n 
C 2 9   DA  9   28  28  DA  DA  D . n 
C 2 10  DA  10  29  29  DA  DA  D . n 
C 2 11  DA  11  30  30  DA  DA  D . n 
C 2 12  DG  12  31  31  DG  DG  D . n 
D 3 1   DC  1   41  41  DC  DC  E . n 
D 3 2   BRU 2   42  42  BRU BRU E . n 
D 3 3   DT  3   43  43  DT  DT  E . n 
D 3 4   DT  4   44  44  DT  DT  E . n 
D 3 5   DT  5   45  45  DT  DT  E . n 
D 3 6   DG  6   46  46  DG  DG  E . n 
D 3 7   DT  7   47  47  DT  DT  E . n 
D 3 8   DA  8   48  48  DA  DA  E . n 
D 3 9   BRU 9   49  49  BRU BRU E . n 
D 3 10  DA  10  50  50  DA  DA  E . n 
D 3 11  DA  11  51  51  DA  DA  E . n 
D 3 12  DT  12  52  52  DT  DT  E . n 
E 2 1   DA  1   20  20  DA  DA  C . n 
E 2 2   BRU 2   21  21  BRU BRU C . n 
E 2 3   DT  3   22  22  DT  DT  C . n 
E 2 4   DA  4   23  23  DA  DA  C . n 
E 2 5   BRU 5   24  24  BRU BRU C . n 
E 2 6   DA  6   25  25  DA  DA  C . n 
E 2 7   DC  7   26  26  DC  DC  C . n 
E 2 8   DA  8   27  27  DA  DA  C . n 
E 2 9   DA  9   28  28  DA  DA  C . n 
E 2 10  DA  10  29  29  DA  DA  C . n 
E 2 11  DA  11  30  30  DA  DA  C . n 
E 2 12  DG  12  31  31  DG  DG  C . n 
F 3 1   DC  1   41  41  DC  DC  F . n 
F 3 2   BRU 2   42  42  BRU BRU F . n 
F 3 3   DT  3   43  43  DT  DT  F . n 
F 3 4   DT  4   44  44  DT  DT  F . n 
F 3 5   DT  5   45  45  DT  DT  F . n 
F 3 6   DG  6   46  46  DG  DG  F . n 
F 3 7   DT  7   47  47  DT  DT  F . n 
F 3 8   DA  8   48  48  DA  DA  F . n 
F 3 9   BRU 9   49  49  BRU BRU F . n 
F 3 10  DA  10  50  50  DA  DA  F . n 
F 3 11  DA  11  51  51  DA  DA  F . n 
F 3 12  DT  12  52  52  DT  DT  F . n 
# 
_pdbx_entity_instance_feature.ordinal        1 
_pdbx_entity_instance_feature.comp_id        BRU 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   BRU 
_pdbx_entity_instance_feature.auth_asym_id   ? 
_pdbx_entity_instance_feature.auth_seq_num   ? 
_pdbx_entity_instance_feature.feature_type   'SUBJECT OF INVESTIGATION' 
_pdbx_entity_instance_feature.details        ? 
# 
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 
G 4 HOH 1   201 347 HOH HOH A . 
G 4 HOH 2   202 227 HOH HOH A . 
G 4 HOH 3   203 214 HOH HOH A . 
G 4 HOH 4   204 318 HOH HOH A . 
G 4 HOH 5   205 332 HOH HOH A . 
G 4 HOH 6   206 58  HOH HOH A . 
G 4 HOH 7   207 87  HOH HOH A . 
G 4 HOH 8   208 166 HOH HOH A . 
G 4 HOH 9   209 8   HOH HOH A . 
G 4 HOH 10  210 299 HOH HOH A . 
G 4 HOH 11  211 17  HOH HOH A . 
G 4 HOH 12  212 233 HOH HOH A . 
G 4 HOH 13  213 96  HOH HOH A . 
G 4 HOH 14  214 43  HOH HOH A . 
G 4 HOH 15  215 247 HOH HOH A . 
G 4 HOH 16  216 306 HOH HOH A . 
G 4 HOH 17  217 16  HOH HOH A . 
G 4 HOH 18  218 175 HOH HOH A . 
G 4 HOH 19  219 329 HOH HOH A . 
G 4 HOH 20  220 305 HOH HOH A . 
G 4 HOH 21  221 109 HOH HOH A . 
G 4 HOH 22  222 18  HOH HOH A . 
G 4 HOH 23  223 33  HOH HOH A . 
G 4 HOH 24  224 265 HOH HOH A . 
G 4 HOH 25  225 20  HOH HOH A . 
G 4 HOH 26  226 1   HOH HOH A . 
G 4 HOH 27  227 333 HOH HOH A . 
G 4 HOH 28  228 94  HOH HOH A . 
G 4 HOH 29  229 26  HOH HOH A . 
G 4 HOH 30  230 36  HOH HOH A . 
G 4 HOH 31  231 60  HOH HOH A . 
G 4 HOH 32  232 230 HOH HOH A . 
G 4 HOH 33  233 28  HOH HOH A . 
G 4 HOH 34  234 56  HOH HOH A . 
G 4 HOH 35  235 57  HOH HOH A . 
G 4 HOH 36  236 48  HOH HOH A . 
G 4 HOH 37  237 82  HOH HOH A . 
G 4 HOH 38  238 35  HOH HOH A . 
G 4 HOH 39  239 114 HOH HOH A . 
G 4 HOH 40  240 232 HOH HOH A . 
G 4 HOH 41  241 171 HOH HOH A . 
G 4 HOH 42  242 210 HOH HOH A . 
G 4 HOH 43  243 99  HOH HOH A . 
G 4 HOH 44  244 64  HOH HOH A . 
G 4 HOH 45  245 9   HOH HOH A . 
G 4 HOH 46  246 98  HOH HOH A . 
G 4 HOH 47  247 71  HOH HOH A . 
G 4 HOH 48  248 196 HOH HOH A . 
G 4 HOH 49  249 273 HOH HOH A . 
G 4 HOH 50  250 47  HOH HOH A . 
G 4 HOH 51  251 205 HOH HOH A . 
G 4 HOH 52  252 308 HOH HOH A . 
G 4 HOH 53  253 32  HOH HOH A . 
G 4 HOH 54  254 73  HOH HOH A . 
G 4 HOH 55  255 76  HOH HOH A . 
G 4 HOH 56  256 250 HOH HOH A . 
G 4 HOH 57  257 204 HOH HOH A . 
G 4 HOH 58  258 120 HOH HOH A . 
G 4 HOH 59  259 219 HOH HOH A . 
G 4 HOH 60  260 280 HOH HOH A . 
G 4 HOH 61  261 145 HOH HOH A . 
G 4 HOH 62  262 186 HOH HOH A . 
G 4 HOH 63  263 122 HOH HOH A . 
G 4 HOH 64  264 220 HOH HOH A . 
G 4 HOH 65  265 53  HOH HOH A . 
G 4 HOH 66  266 4   HOH HOH A . 
G 4 HOH 67  267 291 HOH HOH A . 
G 4 HOH 68  268 184 HOH HOH A . 
G 4 HOH 69  269 345 HOH HOH A . 
G 4 HOH 70  270 97  HOH HOH A . 
G 4 HOH 71  271 364 HOH HOH A . 
G 4 HOH 72  272 128 HOH HOH A . 
G 4 HOH 73  273 317 HOH HOH A . 
G 4 HOH 74  274 191 HOH HOH A . 
G 4 HOH 75  275 215 HOH HOH A . 
G 4 HOH 76  276 136 HOH HOH A . 
G 4 HOH 77  277 222 HOH HOH A . 
G 4 HOH 78  278 357 HOH HOH A . 
G 4 HOH 79  279 50  HOH HOH A . 
G 4 HOH 80  280 217 HOH HOH A . 
G 4 HOH 81  281 311 HOH HOH A . 
G 4 HOH 82  282 246 HOH HOH A . 
G 4 HOH 83  283 358 HOH HOH A . 
G 4 HOH 84  284 366 HOH HOH A . 
G 4 HOH 85  285 241 HOH HOH A . 
G 4 HOH 86  286 277 HOH HOH A . 
G 4 HOH 87  287 156 HOH HOH A . 
G 4 HOH 88  288 148 HOH HOH A . 
G 4 HOH 89  289 260 HOH HOH A . 
G 4 HOH 90  290 295 HOH HOH A . 
G 4 HOH 91  291 229 HOH HOH A . 
G 4 HOH 92  292 263 HOH HOH A . 
G 4 HOH 93  293 339 HOH HOH A . 
G 4 HOH 94  294 255 HOH HOH A . 
G 4 HOH 95  295 159 HOH HOH A . 
G 4 HOH 96  296 264 HOH HOH A . 
G 4 HOH 97  297 113 HOH HOH A . 
G 4 HOH 98  298 226 HOH HOH A . 
G 4 HOH 99  299 200 HOH HOH A . 
G 4 HOH 100 300 321 HOH HOH A . 
G 4 HOH 101 301 341 HOH HOH A . 
H 4 HOH 1   201 325 HOH HOH B . 
H 4 HOH 2   202 346 HOH HOH B . 
H 4 HOH 3   203 350 HOH HOH B . 
H 4 HOH 4   204 262 HOH HOH B . 
H 4 HOH 5   205 192 HOH HOH B . 
H 4 HOH 6   206 351 HOH HOH B . 
H 4 HOH 7   207 334 HOH HOH B . 
H 4 HOH 8   208 123 HOH HOH B . 
H 4 HOH 9   209 105 HOH HOH B . 
H 4 HOH 10  210 213 HOH HOH B . 
H 4 HOH 11  211 251 HOH HOH B . 
H 4 HOH 12  212 14  HOH HOH B . 
H 4 HOH 13  213 31  HOH HOH B . 
H 4 HOH 14  214 234 HOH HOH B . 
H 4 HOH 15  215 198 HOH HOH B . 
H 4 HOH 16  216 139 HOH HOH B . 
H 4 HOH 17  217 49  HOH HOH B . 
H 4 HOH 18  218 281 HOH HOH B . 
H 4 HOH 19  219 132 HOH HOH B . 
H 4 HOH 20  220 84  HOH HOH B . 
H 4 HOH 21  221 5   HOH HOH B . 
H 4 HOH 22  222 70  HOH HOH B . 
H 4 HOH 23  223 40  HOH HOH B . 
H 4 HOH 24  224 66  HOH HOH B . 
H 4 HOH 25  225 25  HOH HOH B . 
H 4 HOH 26  226 111 HOH HOH B . 
H 4 HOH 27  227 69  HOH HOH B . 
H 4 HOH 28  228 352 HOH HOH B . 
H 4 HOH 29  229 102 HOH HOH B . 
H 4 HOH 30  230 125 HOH HOH B . 
H 4 HOH 31  231 237 HOH HOH B . 
H 4 HOH 32  232 240 HOH HOH B . 
H 4 HOH 33  233 103 HOH HOH B . 
H 4 HOH 34  234 155 HOH HOH B . 
H 4 HOH 35  235 39  HOH HOH B . 
H 4 HOH 36  236 68  HOH HOH B . 
H 4 HOH 37  237 38  HOH HOH B . 
H 4 HOH 38  238 238 HOH HOH B . 
H 4 HOH 39  239 194 HOH HOH B . 
H 4 HOH 40  240 89  HOH HOH B . 
H 4 HOH 41  241 158 HOH HOH B . 
H 4 HOH 42  242 112 HOH HOH B . 
H 4 HOH 43  243 147 HOH HOH B . 
H 4 HOH 44  244 252 HOH HOH B . 
H 4 HOH 45  245 135 HOH HOH B . 
H 4 HOH 46  246 284 HOH HOH B . 
H 4 HOH 47  247 201 HOH HOH B . 
H 4 HOH 48  248 157 HOH HOH B . 
H 4 HOH 49  249 91  HOH HOH B . 
H 4 HOH 50  250 197 HOH HOH B . 
H 4 HOH 51  251 140 HOH HOH B . 
H 4 HOH 52  252 314 HOH HOH B . 
H 4 HOH 53  253 179 HOH HOH B . 
H 4 HOH 54  254 151 HOH HOH B . 
H 4 HOH 55  255 95  HOH HOH B . 
H 4 HOH 56  256 165 HOH HOH B . 
H 4 HOH 57  257 253 HOH HOH B . 
H 4 HOH 58  258 288 HOH HOH B . 
H 4 HOH 59  259 270 HOH HOH B . 
H 4 HOH 60  260 209 HOH HOH B . 
H 4 HOH 61  261 336 HOH HOH B . 
H 4 HOH 62  262 92  HOH HOH B . 
H 4 HOH 63  263 100 HOH HOH B . 
H 4 HOH 64  264 338 HOH HOH B . 
H 4 HOH 65  265 354 HOH HOH B . 
H 4 HOH 66  266 202 HOH HOH B . 
H 4 HOH 67  267 337 HOH HOH B . 
H 4 HOH 68  268 300 HOH HOH B . 
H 4 HOH 69  269 365 HOH HOH B . 
H 4 HOH 70  270 310 HOH HOH B . 
H 4 HOH 71  271 361 HOH HOH B . 
H 4 HOH 72  272 301 HOH HOH B . 
H 4 HOH 73  273 285 HOH HOH B . 
H 4 HOH 74  274 211 HOH HOH B . 
H 4 HOH 75  275 289 HOH HOH B . 
H 4 HOH 76  276 344 HOH HOH B . 
H 4 HOH 77  277 356 HOH HOH B . 
H 4 HOH 78  278 287 HOH HOH B . 
H 4 HOH 79  279 320 HOH HOH B . 
H 4 HOH 80  280 322 HOH HOH B . 
H 4 HOH 81  281 316 HOH HOH B . 
H 4 HOH 82  282 258 HOH HOH B . 
H 4 HOH 83  283 362 HOH HOH B . 
I 4 HOH 1   101 162 HOH HOH D . 
I 4 HOH 2   102 279 HOH HOH D . 
I 4 HOH 3   103 153 HOH HOH D . 
I 4 HOH 4   104 304 HOH HOH D . 
I 4 HOH 5   105 212 HOH HOH D . 
I 4 HOH 6   106 11  HOH HOH D . 
I 4 HOH 7   107 54  HOH HOH D . 
I 4 HOH 8   108 245 HOH HOH D . 
I 4 HOH 9   109 104 HOH HOH D . 
I 4 HOH 10  110 80  HOH HOH D . 
I 4 HOH 11  111 150 HOH HOH D . 
I 4 HOH 12  112 15  HOH HOH D . 
I 4 HOH 13  113 168 HOH HOH D . 
I 4 HOH 14  114 178 HOH HOH D . 
I 4 HOH 15  115 131 HOH HOH D . 
I 4 HOH 16  116 2   HOH HOH D . 
I 4 HOH 17  117 65  HOH HOH D . 
I 4 HOH 18  118 127 HOH HOH D . 
I 4 HOH 19  119 45  HOH HOH D . 
I 4 HOH 20  120 74  HOH HOH D . 
I 4 HOH 21  121 72  HOH HOH D . 
I 4 HOH 22  122 117 HOH HOH D . 
I 4 HOH 23  123 78  HOH HOH D . 
I 4 HOH 24  124 177 HOH HOH D . 
I 4 HOH 25  125 62  HOH HOH D . 
I 4 HOH 26  126 3   HOH HOH D . 
I 4 HOH 27  127 61  HOH HOH D . 
I 4 HOH 28  128 63  HOH HOH D . 
I 4 HOH 29  129 160 HOH HOH D . 
I 4 HOH 30  130 79  HOH HOH D . 
I 4 HOH 31  131 228 HOH HOH D . 
I 4 HOH 32  132 67  HOH HOH D . 
I 4 HOH 33  133 224 HOH HOH D . 
I 4 HOH 34  134 180 HOH HOH D . 
I 4 HOH 35  135 348 HOH HOH D . 
I 4 HOH 36  136 170 HOH HOH D . 
I 4 HOH 37  137 93  HOH HOH D . 
I 4 HOH 38  138 269 HOH HOH D . 
I 4 HOH 39  139 223 HOH HOH D . 
I 4 HOH 40  140 257 HOH HOH D . 
I 4 HOH 41  141 208 HOH HOH D . 
I 4 HOH 42  142 164 HOH HOH D . 
I 4 HOH 43  143 315 HOH HOH D . 
I 4 HOH 44  144 22  HOH HOH D . 
I 4 HOH 45  145 207 HOH HOH D . 
I 4 HOH 46  146 134 HOH HOH D . 
I 4 HOH 47  147 323 HOH HOH D . 
I 4 HOH 48  148 271 HOH HOH D . 
I 4 HOH 49  149 363 HOH HOH D . 
I 4 HOH 50  150 108 HOH HOH D . 
I 4 HOH 51  151 294 HOH HOH D . 
I 4 HOH 52  152 195 HOH HOH D . 
I 4 HOH 53  153 42  HOH HOH D . 
I 4 HOH 54  154 324 HOH HOH D . 
I 4 HOH 55  155 326 HOH HOH D . 
I 4 HOH 56  156 183 HOH HOH D . 
I 4 HOH 57  157 182 HOH HOH D . 
J 4 HOH 1   101 239 HOH HOH E . 
J 4 HOH 2   102 335 HOH HOH E . 
J 4 HOH 3   103 124 HOH HOH E . 
J 4 HOH 4   104 90  HOH HOH E . 
J 4 HOH 5   105 261 HOH HOH E . 
J 4 HOH 6   106 44  HOH HOH E . 
J 4 HOH 7   107 176 HOH HOH E . 
J 4 HOH 8   108 21  HOH HOH E . 
J 4 HOH 9   109 138 HOH HOH E . 
J 4 HOH 10  110 298 HOH HOH E . 
J 4 HOH 11  111 10  HOH HOH E . 
J 4 HOH 12  112 75  HOH HOH E . 
J 4 HOH 13  113 23  HOH HOH E . 
J 4 HOH 14  114 342 HOH HOH E . 
J 4 HOH 15  115 24  HOH HOH E . 
J 4 HOH 16  116 7   HOH HOH E . 
J 4 HOH 17  117 190 HOH HOH E . 
J 4 HOH 18  118 101 HOH HOH E . 
J 4 HOH 19  119 6   HOH HOH E . 
J 4 HOH 20  120 185 HOH HOH E . 
J 4 HOH 21  121 231 HOH HOH E . 
J 4 HOH 22  122 142 HOH HOH E . 
J 4 HOH 23  123 129 HOH HOH E . 
J 4 HOH 24  124 218 HOH HOH E . 
J 4 HOH 25  125 359 HOH HOH E . 
J 4 HOH 26  126 248 HOH HOH E . 
J 4 HOH 27  127 267 HOH HOH E . 
J 4 HOH 28  128 116 HOH HOH E . 
J 4 HOH 29  129 242 HOH HOH E . 
J 4 HOH 30  130 206 HOH HOH E . 
J 4 HOH 31  131 46  HOH HOH E . 
J 4 HOH 32  132 126 HOH HOH E . 
J 4 HOH 33  133 149 HOH HOH E . 
J 4 HOH 34  134 81  HOH HOH E . 
J 4 HOH 35  135 86  HOH HOH E . 
J 4 HOH 36  136 121 HOH HOH E . 
J 4 HOH 37  137 327 HOH HOH E . 
J 4 HOH 38  138 259 HOH HOH E . 
J 4 HOH 39  139 133 HOH HOH E . 
J 4 HOH 40  140 106 HOH HOH E . 
J 4 HOH 41  141 360 HOH HOH E . 
J 4 HOH 42  142 278 HOH HOH E . 
J 4 HOH 43  143 254 HOH HOH E . 
J 4 HOH 44  144 282 HOH HOH E . 
J 4 HOH 45  145 328 HOH HOH E . 
K 4 HOH 1   101 225 HOH HOH C . 
K 4 HOH 2   102 296 HOH HOH C . 
K 4 HOH 3   103 235 HOH HOH C . 
K 4 HOH 4   104 55  HOH HOH C . 
K 4 HOH 5   105 173 HOH HOH C . 
K 4 HOH 6   106 154 HOH HOH C . 
K 4 HOH 7   107 141 HOH HOH C . 
K 4 HOH 8   108 29  HOH HOH C . 
K 4 HOH 9   109 30  HOH HOH C . 
K 4 HOH 10  110 146 HOH HOH C . 
K 4 HOH 11  111 85  HOH HOH C . 
K 4 HOH 12  112 107 HOH HOH C . 
K 4 HOH 13  113 52  HOH HOH C . 
K 4 HOH 14  114 137 HOH HOH C . 
K 4 HOH 15  115 118 HOH HOH C . 
K 4 HOH 16  116 152 HOH HOH C . 
K 4 HOH 17  117 353 HOH HOH C . 
K 4 HOH 18  118 110 HOH HOH C . 
K 4 HOH 19  119 163 HOH HOH C . 
K 4 HOH 20  120 51  HOH HOH C . 
K 4 HOH 21  121 169 HOH HOH C . 
K 4 HOH 22  122 12  HOH HOH C . 
K 4 HOH 23  123 203 HOH HOH C . 
K 4 HOH 24  124 244 HOH HOH C . 
K 4 HOH 25  125 266 HOH HOH C . 
K 4 HOH 26  126 143 HOH HOH C . 
K 4 HOH 27  127 172 HOH HOH C . 
K 4 HOH 28  128 115 HOH HOH C . 
K 4 HOH 29  129 276 HOH HOH C . 
K 4 HOH 30  130 297 HOH HOH C . 
K 4 HOH 31  131 174 HOH HOH C . 
K 4 HOH 32  132 161 HOH HOH C . 
K 4 HOH 33  133 187 HOH HOH C . 
K 4 HOH 34  134 292 HOH HOH C . 
K 4 HOH 35  135 312 HOH HOH C . 
K 4 HOH 36  136 290 HOH HOH C . 
L 4 HOH 1   101 13  HOH HOH F . 
L 4 HOH 2   102 343 HOH HOH F . 
L 4 HOH 3   103 181 HOH HOH F . 
L 4 HOH 4   104 130 HOH HOH F . 
L 4 HOH 5   105 330 HOH HOH F . 
L 4 HOH 6   106 268 HOH HOH F . 
L 4 HOH 7   107 27  HOH HOH F . 
L 4 HOH 8   108 199 HOH HOH F . 
L 4 HOH 9   109 309 HOH HOH F . 
L 4 HOH 10  110 19  HOH HOH F . 
L 4 HOH 11  111 293 HOH HOH F . 
L 4 HOH 12  112 41  HOH HOH F . 
L 4 HOH 13  113 88  HOH HOH F . 
L 4 HOH 14  114 302 HOH HOH F . 
L 4 HOH 15  115 189 HOH HOH F . 
L 4 HOH 16  116 37  HOH HOH F . 
L 4 HOH 17  117 83  HOH HOH F . 
L 4 HOH 18  118 34  HOH HOH F . 
L 4 HOH 19  119 313 HOH HOH F . 
L 4 HOH 20  120 77  HOH HOH F . 
L 4 HOH 21  121 119 HOH HOH F . 
L 4 HOH 22  122 243 HOH HOH F . 
L 4 HOH 23  123 307 HOH HOH F . 
L 4 HOH 24  124 167 HOH HOH F . 
L 4 HOH 25  125 286 HOH HOH F . 
L 4 HOH 26  126 144 HOH HOH F . 
L 4 HOH 27  127 355 HOH HOH F . 
L 4 HOH 28  128 193 HOH HOH F . 
L 4 HOH 29  129 216 HOH HOH F . 
L 4 HOH 30  130 221 HOH HOH F . 
L 4 HOH 31  131 188 HOH HOH F . 
L 4 HOH 32  132 303 HOH HOH F . 
L 4 HOH 33  133 59  HOH HOH F . 
L 4 HOH 34  134 272 HOH HOH F . 
L 4 HOH 35  135 283 HOH HOH F . 
L 4 HOH 36  136 319 HOH HOH F . 
L 4 HOH 37  137 236 HOH HOH F . 
L 4 HOH 38  138 274 HOH HOH F . 
L 4 HOH 39  139 349 HOH HOH F . 
L 4 HOH 40  140 275 HOH HOH F . 
L 4 HOH 41  141 331 HOH HOH F . 
L 4 HOH 42  142 256 HOH HOH F . 
L 4 HOH 43  143 340 HOH HOH F . 
L 4 HOH 44  144 249 HOH HOH F . 
# 
loop_
_pdbx_unobs_or_zero_occ_atoms.id 
_pdbx_unobs_or_zero_occ_atoms.PDB_model_num 
_pdbx_unobs_or_zero_occ_atoms.polymer_flag 
_pdbx_unobs_or_zero_occ_atoms.occupancy_flag 
_pdbx_unobs_or_zero_occ_atoms.auth_asym_id 
_pdbx_unobs_or_zero_occ_atoms.auth_comp_id 
_pdbx_unobs_or_zero_occ_atoms.auth_seq_id 
_pdbx_unobs_or_zero_occ_atoms.PDB_ins_code 
_pdbx_unobs_or_zero_occ_atoms.auth_atom_id 
_pdbx_unobs_or_zero_occ_atoms.label_alt_id 
_pdbx_unobs_or_zero_occ_atoms.label_asym_id 
_pdbx_unobs_or_zero_occ_atoms.label_comp_id 
_pdbx_unobs_or_zero_occ_atoms.label_seq_id 
_pdbx_unobs_or_zero_occ_atoms.label_atom_id 
1  1 Y 1 A LYS 11 ? CG  ? A LYS 11 CG  
2  1 Y 1 A LYS 11 ? CD  ? A LYS 11 CD  
3  1 Y 1 A LYS 11 ? CE  ? A LYS 11 CE  
4  1 Y 1 A LYS 11 ? NZ  ? A LYS 11 NZ  
5  1 Y 1 B ARG 5  ? CG  ? B ARG 5  CG  
6  1 Y 1 B ARG 5  ? CD  ? B ARG 5  CD  
7  1 Y 1 B ARG 5  ? NE  ? B ARG 5  NE  
8  1 Y 1 B ARG 5  ? CZ  ? B ARG 5  CZ  
9  1 Y 1 B ARG 5  ? NH1 ? B ARG 5  NH1 
10 1 Y 1 B ARG 5  ? NH2 ? B ARG 5  NH2 
# 
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  ? ? ? 1.20.1_4487 1 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? XDS     ? ? ? .           2 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? Aimless ? ? ? .           3 
? phasing          ? ? ? ? ? ? ? ? ? ? ? PHASER  ? ? ? .           4 
# 
_cell.angle_alpha                  90.000 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   109.120 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  90.000 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     9EFF 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     37.742 
_cell.length_a_esd                 ? 
_cell.length_b                     136.051 
_cell.length_b_esd                 ? 
_cell.length_c                     38.380 
_cell.length_c_esd                 ? 
_cell.volume                       186203.321 
_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                         9EFF 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                4 
_symmetry.space_group_name_Hall            'P 2yb' 
_symmetry.space_group_name_H-M             'P 1 21 1' 
_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                   9EFF 
_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             2.20 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          44.07 
_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              8 
_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    
'Tris-HCl 0.05 M pH 8.0 - 8.5, Potassium Chloride 0.1 M, Magnesium Chloride 0.01 M and PEG400 26 - 30%' 
_exptl_crystal_grow.pdbx_pH_range   8 
_exptl_crystal_grow.temp            293 
# 
_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                     CMOS 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         'RDI CMOS_8M' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2022-03-03 
_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   0.91165 
_diffrn_radiation_wavelength.wt           1.0 
# 
_diffrn_source.current                     ? 
_diffrn_source.details                     ? 
_diffrn_source.diffrn_id                   1 
_diffrn_source.power                       ? 
_diffrn_source.size                        ? 
_diffrn_source.source                      SYNCHROTRON 
_diffrn_source.target                      ? 
_diffrn_source.type                        'ALS BEAMLINE 4.2.2' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        0.91165 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   4.2.2 
_diffrn_source.pdbx_synchrotron_site       ALS 
# 
_reflns.B_iso_Wilson_estimate                          25.21 
_reflns.entry_id                                       9EFF 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.82 
_reflns.d_resolution_low                               68.03 
_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                                     31882 
_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                           98.4 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                7 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          11.8 
_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                                0.115 
_reflns.pdbx_Rpim_I_all                                0.043 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       ? 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   0.995 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              ? 
_reflns.pdbx_Rmerge_I_all                              ? 
_reflns.pdbx_Rsym_value                                0.106 
_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                                    1.82 
_reflns_shell.d_res_low                                     1.86 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           1.7 
_reflns_shell.number_measured_all                           ? 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             1535 
_reflns_shell.percent_possible_obs                          ? 
_reflns_shell.Rmerge_F_all                                  ? 
_reflns_shell.Rmerge_F_obs                                  ? 
_reflns_shell.meanI_over_sigI_gt                            ? 
_reflns_shell.meanI_over_uI_all                             ? 
_reflns_shell.meanI_over_uI_gt                              ? 
_reflns_shell.number_measured_gt                            ? 
_reflns_shell.number_unique_gt                              ? 
_reflns_shell.percent_possible_gt                           ? 
_reflns_shell.Rmerge_F_gt                                   ? 
_reflns_shell.Rmerge_I_gt                                   ? 
_reflns_shell.pdbx_redundancy                               6.1 
_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                               1.040 
_reflns_shell.pdbx_Rpim_I_all                               0.416 
_reflns_shell.pdbx_rejects                                  ? 
_reflns_shell.pdbx_ordinal                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  0.884 
_reflns_shell.pdbx_CC_star                                  ? 
_reflns_shell.pdbx_R_split                                  ? 
_reflns_shell.percent_possible_all                          96.4 
_reflns_shell.Rmerge_I_all                                  ? 
_reflns_shell.Rmerge_I_obs                                  ? 
_reflns_shell.pdbx_Rsym_value                               0.950 
_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                               36.27 
_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                                 9EFF 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_abs_structure_details                 ? 
_refine.ls_abs_structure_Flack                   ? 
_refine.ls_abs_structure_Flack_esd               ? 
_refine.ls_abs_structure_Rogers                  ? 
_refine.ls_abs_structure_Rogers_esd              ? 
_refine.ls_d_res_high                            1.82 
_refine.ls_d_res_low                             36.26 
_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                     31170 
_refine.ls_number_reflns_R_free                  2694 
_refine.ls_number_reflns_R_work                  56075 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    91.56 
_refine.ls_percent_reflns_R_free                 4.58 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.2014 
_refine.ls_R_factor_R_free                       0.2282 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.2002 
_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                          1.34 
_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          SAD 
_refine.pdbx_starting_model                      ? 
_refine.pdbx_stereochemistry_target_values       'GeoStd + Monomer Library + CDL v1.2' 
_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             1.1100 
_refine.pdbx_solvent_ion_probe_radii             ? 
_refine.pdbx_solvent_shrinkage_radii             0.9000 
_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                 26.3768 
_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                            0.2378 
_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.details                          ? 
_refine_hist.d_res_high                       1.82 
_refine_hist.d_res_low                        36.26 
_refine_hist.number_atoms_solvent             366 
_refine_hist.number_atoms_total               3073 
_refine_hist.number_reflns_all                ? 
_refine_hist.number_reflns_obs                ? 
_refine_hist.number_reflns_R_free             ? 
_refine_hist.number_reflns_R_work             ? 
_refine_hist.R_factor_all                     ? 
_refine_hist.R_factor_obs                     ? 
_refine_hist.R_factor_R_free                  ? 
_refine_hist.R_factor_R_work                  ? 
_refine_hist.pdbx_number_residues_total       ? 
_refine_hist.pdbx_B_iso_mean_ligand           ? 
_refine_hist.pdbx_B_iso_mean_solvent          ? 
_refine_hist.pdbx_number_atoms_protein        1735 
_refine_hist.pdbx_number_atoms_nucleic_acid   972 
_refine_hist.pdbx_number_atoms_ligand         0 
_refine_hist.pdbx_number_atoms_lipid          ? 
_refine_hist.pdbx_number_atoms_carb           ? 
_refine_hist.pdbx_pseudo_atom_details         ? 
# 
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' ? 0.0062 ? 2869 ? f_bond_d           ? ? 
'X-RAY DIFFRACTION' ? 1.1588 ? 4070 ? f_angle_d          ? ? 
'X-RAY DIFFRACTION' ? 0.0622 ? 429  ? f_chiral_restr     ? ? 
'X-RAY DIFFRACTION' ? 0.0091 ? 338  ? f_plane_restr      ? ? 
'X-RAY DIFFRACTION' ? 0.0000 ? 0    ? f_dihedral_angle_d ? ? 
# 
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' 1.82 1.86  . . 137 2762 86.72 . . . . 0.3020 . . . . . . . . . . . 0.3335 
'X-RAY DIFFRACTION' 1.86 1.89  . . 127 2971 90.85 . . . . 0.2960 . . . . . . . . . . . 0.3214 
'X-RAY DIFFRACTION' 1.89 1.93  . . 161 2908 91.04 . . . . 0.2919 . . . . . . . . . . . 0.3207 
'X-RAY DIFFRACTION' 1.93 1.97  . . 134 2850 89.05 . . . . 0.2649 . . . . . . . . . . . 0.2516 
'X-RAY DIFFRACTION' 1.97 2.02  . . 187 2849 88.33 . . . . 0.2692 . . . . . . . . . . . 0.3111 
'X-RAY DIFFRACTION' 2.02 2.07  . . 107 2687 84.18 . . . . 0.2786 . . . . . . . . . . . 0.2951 
'X-RAY DIFFRACTION' 2.07 2.13  . . 121 2646 81.26 . . . . 0.2605 . . . . . . . . . . . 0.2863 
'X-RAY DIFFRACTION' 2.13 2.19  . . 121 2655 83.06 . . . . 0.2450 . . . . . . . . . . . 0.2992 
'X-RAY DIFFRACTION' 2.19 2.26  . . 128 2809 86.33 . . . . 0.2433 . . . . . . . . . . . 0.2690 
'X-RAY DIFFRACTION' 2.26 2.34  . . 128 2904 89.52 . . . . 0.2282 . . . . . . . . . . . 0.2798 
'X-RAY DIFFRACTION' 2.34 2.43  . . 159 3024 94.34 . . . . 0.2220 . . . . . . . . . . . 0.2690 
'X-RAY DIFFRACTION' 2.43 2.54  . . 184 3169 99.29 . . . . 0.2141 . . . . . . . . . . . 0.2758 
'X-RAY DIFFRACTION' 2.55 2.68  . . 156 3195 99.29 . . . . 0.1943 . . . . . . . . . . . 0.2029 
'X-RAY DIFFRACTION' 2.68 2.85  . . 176 3171 99.61 . . . . 0.2173 . . . . . . . . . . . 0.2304 
'X-RAY DIFFRACTION' 2.85 3.07  . . 122 3225 99.08 . . . . 0.2007 . . . . . . . . . . . 0.2069 
'X-RAY DIFFRACTION' 3.07 3.38  . . 124 3150 96.69 . . . . 0.1767 . . . . . . . . . . . 0.2341 
'X-RAY DIFFRACTION' 3.38 3.86  . . 151 3094 95.19 . . . . 0.1575 . . . . . . . . . . . 0.1906 
'X-RAY DIFFRACTION' 3.86 4.86  . . 163 2993 93.35 . . . . 0.1573 . . . . . . . . . . . 0.1576 
'X-RAY DIFFRACTION' 4.87 36.26 . . 108 3013 92.69 . . . . 0.1804 . . . . . . . . . . . 0.2202 
# 
_struct.entry_id                     9EFF 
_struct.title                        
'Crystal Structure of a nucleoid-associated protein (UBP) bound to DNA from Sulfolobus islandicus.' 
_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        9EFF 
_struct_keywords.text            
'Sulfolobus islandicus, DNA replication protein, Archaea, nucleoid-associated protein, 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 1 ? 
C N N 2 ? 
D N N 3 ? 
E N N 2 ? 
F N N 3 ? 
G N N 4 ? 
H N N 4 ? 
I N N 4 ? 
J N N 4 ? 
K N N 4 ? 
L N N 4 ? 
# 
loop_
_struct_ref.id 
_struct_ref.db_name 
_struct_ref.db_code 
_struct_ref.pdbx_db_accession 
_struct_ref.pdbx_db_isoform 
_struct_ref.entity_id 
_struct_ref.pdbx_seq_one_letter_code 
_struct_ref.pdbx_align_begin 
1 UNP F0NFD3_SULIR F0NFD3 ? 1 
;MIVMRVKVNEKQFDMIIDKLKLMVYEYNTKIKEYGVYLKPYHIVYKNSKRYIYIGKYWYKLEKIGGKLKWIYLGKTKPIQ
NMPNPPQIPESTIIKEDNEYIVDEKILYDLE
;
1 
2 PDB 9EFF         9EFF   ? 2 ? 1 
3 PDB 9EFF         9EFF   ? 3 ? 1 
# 
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 9EFF A 1 ? 111 ? F0NFD3 1  ? 111 ? 1  111 
2 1 9EFF B 1 ? 111 ? F0NFD3 1  ? 111 ? 1  111 
3 2 9EFF D 1 ? 12  ? 9EFF   20 ? 31  ? 20 31  
4 3 9EFF E 1 ? 12  ? 9EFF   41 ? 52  ? 41 52  
5 2 9EFF C 1 ? 12  ? 9EFF   20 ? 31  ? 20 31  
6 3 9EFF F 1 ? 12  ? 9EFF   41 ? 52  ? 41 52  
# 
loop_
_pdbx_struct_assembly.id 
_pdbx_struct_assembly.details 
_pdbx_struct_assembly.method_details 
_pdbx_struct_assembly.oligomeric_details 
_pdbx_struct_assembly.oligomeric_count 
1 author_and_software_defined_assembly PISA trimeric 3 
2 author_and_software_defined_assembly PISA trimeric 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)' 6850 ? 
1 MORE         4    ? 
1 'SSA (A^2)'  7680 ? 
2 'ABSA (A^2)' 6650 ? 
2 MORE         3    ? 
2 'SSA (A^2)'  7950 ? 
# 
loop_
_pdbx_struct_assembly_gen.assembly_id 
_pdbx_struct_assembly_gen.oper_expression 
_pdbx_struct_assembly_gen.asym_id_list 
1 1 A,C,D,G,I,J 
2 1 B,E,F,H,K,L 
# 
_pdbx_struct_assembly_auth_evidence.id                     1 
_pdbx_struct_assembly_auth_evidence.assembly_id            1 
_pdbx_struct_assembly_auth_evidence.experimental_support   'gel filtration' 
_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 GLU A 10 ? ILE A 31 ? GLU A 10 ILE A 31 1 ? 22 
HELX_P HELX_P2 AA2 LYS A 32 ? GLY A 35 ? LYS A 32 GLY A 35 5 ? 4  
HELX_P HELX_P3 AA3 GLU B 10 ? ILE B 31 ? GLU B 10 ILE B 31 1 ? 22 
HELX_P HELX_P4 AA4 LYS B 32 ? GLY B 35 ? LYS B 32 GLY B 35 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 both ? C DA  1  "O3'" ? ? ? 1_555 C BRU 2  P  ? ? D DA  20 D BRU 21 1_555 ? ? ? ? ? ? ?            1.602 ? ? 
covale2  covale both ? C BRU 2  "O3'" ? ? ? 1_555 C DT  3  P  ? ? D BRU 21 D DT  22 1_555 ? ? ? ? ? ? ?            1.604 ? ? 
covale3  covale both ? C DA  4  "O3'" ? ? ? 1_555 C BRU 5  P  ? ? D DA  23 D BRU 24 1_555 ? ? ? ? ? ? ?            1.604 ? ? 
covale4  covale both ? C BRU 5  "O3'" ? ? ? 1_555 C DA  6  P  ? ? D BRU 24 D DA  25 1_555 ? ? ? ? ? ? ?            1.604 ? ? 
covale5  covale both ? D DC  1  "O3'" ? ? ? 1_555 D BRU 2  P  ? ? E DC  41 E BRU 42 1_555 ? ? ? ? ? ? ?            1.610 ? ? 
covale6  covale both ? D BRU 2  "O3'" ? ? ? 1_555 D DT  3  P  ? ? E BRU 42 E DT  43 1_555 ? ? ? ? ? ? ?            1.604 ? ? 
covale7  covale both ? D DA  8  "O3'" ? ? ? 1_555 D BRU 9  P  ? ? E DA  48 E BRU 49 1_555 ? ? ? ? ? ? ?            1.612 ? ? 
covale8  covale both ? D BRU 9  "O3'" ? ? ? 1_555 D DA  10 P  ? ? E BRU 49 E DA  50 1_555 ? ? ? ? ? ? ?            1.610 ? ? 
covale9  covale both ? E DA  1  "O3'" ? ? ? 1_555 E BRU 2  P  ? ? C DA  20 C BRU 21 1_555 ? ? ? ? ? ? ?            1.609 ? ? 
covale10 covale both ? E BRU 2  "O3'" ? ? ? 1_555 E DT  3  P  ? ? C BRU 21 C DT  22 1_555 ? ? ? ? ? ? ?            1.601 ? ? 
covale11 covale both ? E DA  4  "O3'" ? ? ? 1_555 E BRU 5  P  ? ? C DA  23 C BRU 24 1_555 ? ? ? ? ? ? ?            1.606 ? ? 
covale12 covale both ? E BRU 5  "O3'" ? ? ? 1_555 E DA  6  P  ? ? C BRU 24 C DA  25 1_555 ? ? ? ? ? ? ?            1.605 ? ? 
covale13 covale both ? F DC  1  "O3'" ? ? ? 1_555 F BRU 2  P  ? ? F DC  41 F BRU 42 1_555 ? ? ? ? ? ? ?            1.607 ? ? 
covale14 covale both ? F BRU 2  "O3'" ? ? ? 1_555 F DT  3  P  ? ? F BRU 42 F DT  43 1_555 ? ? ? ? ? ? ?            1.608 ? ? 
covale15 covale both ? F DA  8  "O3'" ? ? ? 1_555 F BRU 9  P  ? ? F DA  48 F BRU 49 1_555 ? ? ? ? ? ? ?            1.607 ? ? 
covale16 covale both ? F BRU 9  "O3'" ? ? ? 1_555 F DA  10 P  ? ? F BRU 49 F DA  50 1_555 ? ? ? ? ? ? ?            1.610 ? ? 
hydrog1  hydrog ?    ? E DA  1  N1    ? ? ? 1_555 F DT  12 N3 ? ? C DA  20 F DT  52 1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog2  hydrog ?    ? E DA  1  N6    ? ? ? 1_555 F DT  12 O4 ? ? C DA  20 F DT  52 1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog3  hydrog ?    ? E BRU 2  N3    ? ? ? 1_555 F DA  11 N1 ? ? C BRU 21 F DA  51 1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog4  hydrog ?    ? E BRU 2  O4    ? ? ? 1_555 F DA  11 N6 ? ? C BRU 21 F DA  51 1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog5  hydrog ?    ? E DT  3  N3    ? ? ? 1_555 F DA  10 N1 ? ? C DT  22 F DA  50 1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog6  hydrog ?    ? E DT  3  O4    ? ? ? 1_555 F DA  10 N6 ? ? C DT  22 F DA  50 1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog7  hydrog ?    ? E DA  4  N1    ? ? ? 1_555 F BRU 9  N3 ? ? C DA  23 F BRU 49 1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog8  hydrog ?    ? E DA  4  N6    ? ? ? 1_555 F BRU 9  O4 ? ? C DA  23 F BRU 49 1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog9  hydrog ?    ? E BRU 5  N3    ? ? ? 1_555 F DA  8  N1 ? ? C BRU 24 F DA  48 1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog10 hydrog ?    ? E BRU 5  O4    ? ? ? 1_555 F DA  8  N6 ? ? C BRU 24 F DA  48 1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog11 hydrog ?    ? E DA  6  N1    ? ? ? 1_555 F DT  7  N3 ? ? C DA  25 F DT  47 1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog12 hydrog ?    ? E DA  6  N6    ? ? ? 1_555 F DT  7  O4 ? ? C DA  25 F DT  47 1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog13 hydrog ?    ? E DC  7  N3    ? ? ? 1_555 F DG  6  N1 ? ? C DC  26 F DG  46 1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog14 hydrog ?    ? E DC  7  N4    ? ? ? 1_555 F DG  6  O6 ? ? C DC  26 F DG  46 1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog15 hydrog ?    ? E DC  7  O2    ? ? ? 1_555 F DG  6  N2 ? ? C DC  26 F DG  46 1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog16 hydrog ?    ? E DA  8  N1    ? ? ? 1_555 F DT  5  N3 ? ? C DA  27 F DT  45 1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog17 hydrog ?    ? E DA  8  N6    ? ? ? 1_555 F DT  5  O4 ? ? C DA  27 F DT  45 1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog18 hydrog ?    ? E DA  9  N1    ? ? ? 1_555 F DT  4  N3 ? ? C DA  28 F DT  44 1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog19 hydrog ?    ? E DA  9  N6    ? ? ? 1_555 F DT  4  O4 ? ? C DA  28 F DT  44 1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog20 hydrog ?    ? E DA  10 N1    ? ? ? 1_555 F DT  3  N3 ? ? C DA  29 F DT  43 1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog21 hydrog ?    ? E DA  10 N6    ? ? ? 1_555 F DT  3  O4 ? ? C DA  29 F DT  43 1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog22 hydrog ?    ? E DA  11 N1    ? ? ? 1_555 F BRU 2  N3 ? ? C DA  30 F BRU 42 1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog23 hydrog ?    ? E DA  11 N6    ? ? ? 1_555 F BRU 2  O4 ? ? C DA  30 F BRU 42 1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog24 hydrog ?    ? E DG  12 N1    ? ? ? 1_555 F DC  1  N3 ? ? C DG  31 F DC  41 1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog25 hydrog ?    ? E DG  12 N2    ? ? ? 1_555 F DC  1  O2 ? ? C DG  31 F DC  41 1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog26 hydrog ?    ? E DG  12 O6    ? ? ? 1_555 F DC  1  N4 ? ? C DG  31 F DC  41 1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog27 hydrog ?    ? C DA  1  N1    ? ? ? 1_555 D DT  12 N3 ? ? D DA  20 E DT  52 1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog28 hydrog ?    ? C DA  1  N6    ? ? ? 1_555 D DT  12 O4 ? ? D DA  20 E DT  52 1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog29 hydrog ?    ? C BRU 2  N3    ? ? ? 1_555 D DA  11 N1 ? ? D BRU 21 E DA  51 1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog30 hydrog ?    ? C BRU 2  O4    ? ? ? 1_555 D DA  11 N6 ? ? D BRU 21 E DA  51 1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog31 hydrog ?    ? C DT  3  N3    ? ? ? 1_555 D DA  10 N1 ? ? D DT  22 E DA  50 1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog32 hydrog ?    ? C DT  3  O4    ? ? ? 1_555 D DA  10 N6 ? ? D DT  22 E DA  50 1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog33 hydrog ?    ? C DA  4  N1    ? ? ? 1_555 D BRU 9  N3 ? ? D DA  23 E BRU 49 1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog34 hydrog ?    ? C DA  4  N6    ? ? ? 1_555 D BRU 9  O4 ? ? D DA  23 E BRU 49 1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog35 hydrog ?    ? C BRU 5  N3    ? ? ? 1_555 D DA  8  N1 ? ? D BRU 24 E DA  48 1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog36 hydrog ?    ? C BRU 5  O4    ? ? ? 1_555 D DA  8  N6 ? ? D BRU 24 E DA  48 1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog37 hydrog ?    ? C DA  6  N1    ? ? ? 1_555 D DT  7  N3 ? ? D DA  25 E DT  47 1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog38 hydrog ?    ? C DA  6  N6    ? ? ? 1_555 D DT  7  O4 ? ? D DA  25 E DT  47 1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog39 hydrog ?    ? C DC  7  N3    ? ? ? 1_555 D DG  6  N1 ? ? D DC  26 E DG  46 1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog40 hydrog ?    ? C DC  7  N4    ? ? ? 1_555 D DG  6  O6 ? ? D DC  26 E DG  46 1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog41 hydrog ?    ? C DC  7  O2    ? ? ? 1_555 D DG  6  N2 ? ? D DC  26 E DG  46 1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog42 hydrog ?    ? C DA  8  N1    ? ? ? 1_555 D DT  5  N3 ? ? D DA  27 E DT  45 1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog43 hydrog ?    ? C DA  8  N6    ? ? ? 1_555 D DT  5  O4 ? ? D DA  27 E DT  45 1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog44 hydrog ?    ? C DA  9  N1    ? ? ? 1_555 D DT  4  N3 ? ? D DA  28 E DT  44 1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog45 hydrog ?    ? C DA  9  N6    ? ? ? 1_555 D DT  4  O4 ? ? D DA  28 E DT  44 1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog46 hydrog ?    ? C DA  10 N1    ? ? ? 1_555 D DT  3  N3 ? ? D DA  29 E DT  43 1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog47 hydrog ?    ? C DA  10 N6    ? ? ? 1_555 D DT  3  O4 ? ? D DA  29 E DT  43 1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog48 hydrog ?    ? C DA  11 N1    ? ? ? 1_555 D BRU 2  N3 ? ? D DA  30 E BRU 42 1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog49 hydrog ?    ? C DA  11 N6    ? ? ? 1_555 D BRU 2  O4 ? ? D DA  30 E BRU 42 1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog50 hydrog ?    ? C DG  12 N1    ? ? ? 1_555 D DC  1  N3 ? ? D DG  31 E DC  41 1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog51 hydrog ?    ? C DG  12 N2    ? ? ? 1_555 D DC  1  O2 ? ? D DG  31 E DC  41 1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog52 hydrog ?    ? C DG  12 O6    ? ? ? 1_555 D DC  1  N4 ? ? D DG  31 E DC  41 1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
# 
loop_
_struct_conn_type.id 
_struct_conn_type.criteria 
_struct_conn_type.reference 
covale ? ? 
hydrog ? ? 
# 
loop_
_struct_sheet.id 
_struct_sheet.type 
_struct_sheet.number_strands 
_struct_sheet.details 
AA1 ? 5 ? 
AA2 ? 3 ? 
AA3 ? 5 ? 
AA4 ? 3 ? 
# 
loop_
_struct_sheet_order.sheet_id 
_struct_sheet_order.range_id_1 
_struct_sheet_order.range_id_2 
_struct_sheet_order.offset 
_struct_sheet_order.sense 
AA1 1 2 ? anti-parallel 
AA1 2 3 ? anti-parallel 
AA1 3 4 ? anti-parallel 
AA1 4 5 ? anti-parallel 
AA2 1 2 ? anti-parallel 
AA2 2 3 ? anti-parallel 
AA3 1 2 ? anti-parallel 
AA3 2 3 ? anti-parallel 
AA3 3 4 ? anti-parallel 
AA3 4 5 ? anti-parallel 
AA4 1 2 ? anti-parallel 
AA4 2 3 ? 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 A 6  ? ASN A 9   ? VAL A 6  ASN A 9   
AA1 2 GLU A 99 ? VAL A 102 ? GLU A 99 VAL A 102 
AA1 3 ILE A 93 ? GLU A 96  ? ILE A 93 GLU A 96  
AA1 4 LYS A 49 ? ILE A 54  ? LYS A 49 ILE A 54  
AA1 5 TYR A 41 ? LYS A 46  ? TYR A 41 LYS A 46  
AA2 1 TYR A 37 ? LEU A 38  ? TYR A 37 LEU A 38  
AA2 2 TRP A 58 ? ILE A 64  ? TRP A 58 ILE A 64  
AA2 3 LYS A 67 ? GLY A 74  ? LYS A 67 GLY A 74  
AA3 1 VAL B 6  ? ASN B 9   ? VAL B 6  ASN B 9   
AA3 2 GLU B 99 ? VAL B 102 ? GLU B 99 VAL B 102 
AA3 3 ILE B 93 ? LYS B 95  ? ILE B 93 LYS B 95  
AA3 4 LYS B 49 ? ILE B 54  ? LYS B 49 ILE B 54  
AA3 5 TYR B 41 ? LYS B 46  ? TYR B 41 LYS B 46  
AA4 1 TYR B 37 ? LEU B 38  ? TYR B 37 LEU B 38  
AA4 2 TRP B 58 ? ILE B 64  ? TRP B 58 ILE B 64  
AA4 3 LYS B 67 ? GLY B 74  ? LYS B 67 GLY B 74  
# 
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 A 6   ? N VAL A 6   O VAL A 102 ? O VAL A 102 
AA1 2 3 O ILE A 101 ? O ILE A 101 N ILE A 94  ? N ILE A 94  
AA1 3 4 O LYS A 95  ? O LYS A 95  N ARG A 50  ? N ARG A 50  
AA1 4 5 O TYR A 51  ? O TYR A 51  N VAL A 44  ? N VAL A 44  
AA2 1 2 N TYR A 37  ? N TYR A 37  O TYR A 59  ? O TYR A 59  
AA2 2 3 N TRP A 58  ? N TRP A 58  O GLY A 74  ? O GLY A 74  
AA3 1 2 N VAL B 6   ? N VAL B 6   O VAL B 102 ? O VAL B 102 
AA3 2 3 O ILE B 101 ? O ILE B 101 N ILE B 94  ? N ILE B 94  
AA3 3 4 O LYS B 95  ? O LYS B 95  N ARG B 50  ? N ARG B 50  
AA3 4 5 O TYR B 51  ? O TYR B 51  N VAL B 44  ? N VAL B 44  
AA4 1 2 N TYR B 37  ? N TYR B 37  O TYR B 59  ? O TYR B 59  
AA4 2 3 N TRP B 58  ? N TRP B 58  O GLY B 74  ? O GLY B 74  
# 
_pdbx_entry_details.entry_id                   9EFF 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.has_ligand_of_interest     Y 
_pdbx_entry_details.has_protein_modification   N 
# 
loop_
_pdbx_validate_close_contact.id 
_pdbx_validate_close_contact.PDB_model_num 
_pdbx_validate_close_contact.auth_atom_id_1 
_pdbx_validate_close_contact.auth_asym_id_1 
_pdbx_validate_close_contact.auth_comp_id_1 
_pdbx_validate_close_contact.auth_seq_id_1 
_pdbx_validate_close_contact.PDB_ins_code_1 
_pdbx_validate_close_contact.label_alt_id_1 
_pdbx_validate_close_contact.auth_atom_id_2 
_pdbx_validate_close_contact.auth_asym_id_2 
_pdbx_validate_close_contact.auth_comp_id_2 
_pdbx_validate_close_contact.auth_seq_id_2 
_pdbx_validate_close_contact.PDB_ins_code_2 
_pdbx_validate_close_contact.label_alt_id_2 
_pdbx_validate_close_contact.dist 
1  1 O  A HOH 264 ? ? O E HOH 124 ? ? 1.78 
2  1 O  C HOH 127 ? ? O F HOH 138 ? ? 1.95 
3  1 O  A HOH 241 ? ? O B HOH 216 ? ? 1.95 
4  1 NZ B LYS 30  ? ? O B HOH 201 ? ? 1.96 
5  1 O  A HOH 248 ? ? O B HOH 205 ? ? 1.98 
6  1 O  A HOH 285 ? ? O A HOH 289 ? ? 2.00 
7  1 O  D HOH 155 ? ? O E HOH 145 ? ? 2.01 
8  1 O  A HOH 290 ? ? O A HOH 292 ? ? 2.01 
9  1 O  B ARG 5   ? ? O B HOH 202 ? ? 2.01 
10 1 O  B HOH 254 ? ? O B HOH 272 ? ? 2.02 
11 1 O  B VAL 36  ? ? O B HOH 203 ? ? 2.04 
12 1 O  D HOH 147 ? ? O E HOH 142 ? ? 2.07 
13 1 O  A HOH 231 ? ? O A HOH 281 ? ? 2.08 
14 1 O  F HOH 127 ? ? O F HOH 139 ? ? 2.10 
15 1 O  E HOH 128 ? ? O E HOH 140 ? ? 2.11 
16 1 O  B HOH 246 ? ? O B HOH 265 ? ? 2.18 
# 
_pdbx_validate_symm_contact.id                1 
_pdbx_validate_symm_contact.PDB_model_num     1 
_pdbx_validate_symm_contact.auth_atom_id_1    O 
_pdbx_validate_symm_contact.auth_asym_id_1    D 
_pdbx_validate_symm_contact.auth_comp_id_1    HOH 
_pdbx_validate_symm_contact.auth_seq_id_1     135 
_pdbx_validate_symm_contact.PDB_ins_code_1    ? 
_pdbx_validate_symm_contact.label_alt_id_1    ? 
_pdbx_validate_symm_contact.site_symmetry_1   1_555 
_pdbx_validate_symm_contact.auth_atom_id_2    O 
_pdbx_validate_symm_contact.auth_asym_id_2    D 
_pdbx_validate_symm_contact.auth_comp_id_2    HOH 
_pdbx_validate_symm_contact.auth_seq_id_2     136 
_pdbx_validate_symm_contact.PDB_ins_code_2    ? 
_pdbx_validate_symm_contact.label_alt_id_2    ? 
_pdbx_validate_symm_contact.site_symmetry_2   1_554 
_pdbx_validate_symm_contact.dist              2.09 
# 
loop_
_pdbx_validate_rmsd_angle.id 
_pdbx_validate_rmsd_angle.PDB_model_num 
_pdbx_validate_rmsd_angle.auth_atom_id_1 
_pdbx_validate_rmsd_angle.auth_asym_id_1 
_pdbx_validate_rmsd_angle.auth_comp_id_1 
_pdbx_validate_rmsd_angle.auth_seq_id_1 
_pdbx_validate_rmsd_angle.PDB_ins_code_1 
_pdbx_validate_rmsd_angle.label_alt_id_1 
_pdbx_validate_rmsd_angle.auth_atom_id_2 
_pdbx_validate_rmsd_angle.auth_asym_id_2 
_pdbx_validate_rmsd_angle.auth_comp_id_2 
_pdbx_validate_rmsd_angle.auth_seq_id_2 
_pdbx_validate_rmsd_angle.PDB_ins_code_2 
_pdbx_validate_rmsd_angle.label_alt_id_2 
_pdbx_validate_rmsd_angle.auth_atom_id_3 
_pdbx_validate_rmsd_angle.auth_asym_id_3 
_pdbx_validate_rmsd_angle.auth_comp_id_3 
_pdbx_validate_rmsd_angle.auth_seq_id_3 
_pdbx_validate_rmsd_angle.PDB_ins_code_3 
_pdbx_validate_rmsd_angle.label_alt_id_3 
_pdbx_validate_rmsd_angle.angle_value 
_pdbx_validate_rmsd_angle.angle_target_value 
_pdbx_validate_rmsd_angle.angle_deviation 
_pdbx_validate_rmsd_angle.angle_standard_deviation 
_pdbx_validate_rmsd_angle.linker_flag 
1 1 "O4'" D DA 25 ? ? "C1'" D DA 25 ? ? N9 D DA 25 ? ? 111.01 108.30 2.71 0.30 N 
2 1 "O4'" E DT 45 ? ? "C1'" E DT 45 ? ? N1 E DT 45 ? ? 110.74 108.30 2.44 0.30 N 
3 1 "O4'" E DG 46 ? ? "C1'" E DG 46 ? ? N9 E DG 46 ? ? 110.37 108.30 2.07 0.30 N 
4 1 "O4'" E DA 48 ? ? "C1'" E DA 48 ? ? N9 E DA 48 ? ? 110.60 108.30 2.30 0.30 N 
5 1 "O4'" C DC 26 ? ? "C1'" C DC 26 ? ? N1 C DC 26 ? ? 110.61 108.30 2.31 0.30 N 
6 1 "O4'" F DT 45 ? ? "C1'" F DT 45 ? ? N1 F DT 45 ? ? 110.33 108.30 2.03 0.30 N 
# 
loop_
_pdbx_validate_torsion.id 
_pdbx_validate_torsion.PDB_model_num 
_pdbx_validate_torsion.auth_comp_id 
_pdbx_validate_torsion.auth_asym_id 
_pdbx_validate_torsion.auth_seq_id 
_pdbx_validate_torsion.PDB_ins_code 
_pdbx_validate_torsion.label_alt_id 
_pdbx_validate_torsion.phi 
_pdbx_validate_torsion.psi 
1 1 ASN A 81 ? ? 73.62 -0.53 
2 1 ASN A 98 ? ? 38.78 38.27 
# 
loop_
_space_group_symop.id 
_space_group_symop.operation_xyz 
1 x,y,z       
2 -x,y+1/2,-z 
# 
loop_
_pdbx_refine_tls.id 
_pdbx_refine_tls.pdbx_refine_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[1][1]_esd 
_pdbx_refine_tls.T[1][2] 
_pdbx_refine_tls.T[1][2]_esd 
_pdbx_refine_tls.T[1][3] 
_pdbx_refine_tls.T[1][3]_esd 
_pdbx_refine_tls.T[2][2] 
_pdbx_refine_tls.T[2][2]_esd 
_pdbx_refine_tls.T[2][3] 
_pdbx_refine_tls.T[2][3]_esd 
_pdbx_refine_tls.T[3][3] 
_pdbx_refine_tls.T[3][3]_esd 
_pdbx_refine_tls.L[1][1] 
_pdbx_refine_tls.L[1][1]_esd 
_pdbx_refine_tls.L[1][2] 
_pdbx_refine_tls.L[1][2]_esd 
_pdbx_refine_tls.L[1][3] 
_pdbx_refine_tls.L[1][3]_esd 
_pdbx_refine_tls.L[2][2] 
_pdbx_refine_tls.L[2][2]_esd 
_pdbx_refine_tls.L[2][3] 
_pdbx_refine_tls.L[2][3]_esd 
_pdbx_refine_tls.L[3][3] 
_pdbx_refine_tls.L[3][3]_esd 
_pdbx_refine_tls.S[1][1] 
_pdbx_refine_tls.S[1][1]_esd 
_pdbx_refine_tls.S[1][2] 
_pdbx_refine_tls.S[1][2]_esd 
_pdbx_refine_tls.S[1][3] 
_pdbx_refine_tls.S[1][3]_esd 
_pdbx_refine_tls.S[2][1] 
_pdbx_refine_tls.S[2][1]_esd 
_pdbx_refine_tls.S[2][2] 
_pdbx_refine_tls.S[2][2]_esd 
_pdbx_refine_tls.S[2][3] 
_pdbx_refine_tls.S[2][3]_esd 
_pdbx_refine_tls.S[3][1] 
_pdbx_refine_tls.S[3][1]_esd 
_pdbx_refine_tls.S[3][2] 
_pdbx_refine_tls.S[3][2]_esd 
_pdbx_refine_tls.S[3][3] 
_pdbx_refine_tls.S[3][3]_esd 
1  'X-RAY DIFFRACTION' ? refined -5.80666624141 18.3766286137   12.387401345   0.367062225414 ? 0.0530859780706    ? 
0.00923486041046  ? 0.212480637063 ? -0.0465103302582 ? 0.290120057611 ? 6.57789042668 ? 3.00563110065   ? -2.99446503514  ? 
7.23110847889 ? -3.51096418494  ? 6.17414149955 ? 0.403180923533   ? -0.0300054326326 ? 0.953750664949   ? 0.0743739773496 ? 
-0.134319008672  ? 0.321523701253   ? -1.01663270817  ? -0.0683094967799 ? -0.279826465114  ? 
2  'X-RAY DIFFRACTION' ? refined -3.69627929278 3.02686338083   15.404769303   0.141945685257 ? -0.000985121460105 ? 
-0.00890835458253 ? 0.110114065642 ? -0.0302360802084 ? 0.107772671405 ? 4.7627724242  ? 0.453060569534  ? -0.251077498781 ? 
4.47136416864 ? -0.750800524279 ? 4.0039958905  ? 0.0422294655682  ? -0.230432179099  ? 0.0436407748141  ? 0.269428421538  ? 
0.0674784332157  ? 0.00278586065902 ? -0.106907613069 ? -0.0325965713172 ? -0.0946447070793 ? 
3  'X-RAY DIFFRACTION' ? refined -12.6005787058 10.8979591944   8.38146128997  0.329175935717 ? -0.0710511280227   ? 
-0.0707449209801  ? 0.32864587406  ? 0.070776257773   ? 0.363494649272 ? 2.00305552938 ? 2.00121042605   ? -4.13443285324  ? 
2.0010319805  ? -6.80550502692  ? 2.00296352284 ? -0.663667586077  ? 1.44526864473    ? 1.48774493736    ? -1.20528106821  ? 
1.17597660567    ? 1.19721678026    ? 0.166640798068  ? -1.10124901275   ? -0.346145438232  ? 
4  'X-RAY DIFFRACTION' ? refined 2.78191387482  19.2127915173   5.28252114739  0.568506681599 ? -0.035746144609    ? 
0.0176793170903   ? 0.302743363854 ? -0.0127937355745 ? 0.548180903264 ? 2.04597847594 ? 6.73716957521   ? -3.5238080693   ? 
4.41411357963 ? -3.93045248506  ? 2.06602370681 ? -0.382991596217  ? 0.254049174801   ? 0.409563500838   ? -0.717715150235 ? 
0.230557721165   ? 0.31238923767    ? -0.640789846523 ? 0.179688052249   ? 0.372781421449   ? 
5  'X-RAY DIFFRACTION' ? refined -3.23896622939 -33.0719558178  13.9600570083  0.645821978126 ? 0.0423856489934    ? 
0.108283550779    ? 0.271395813437 ? 0.0787312972435  ? 0.487299542875 ? 2.67750438752 ? -0.335372068861 ? 0.205140431844  ? 
4.62524139583 ? 3.75039204902   ? 5.35092374062 ? 0.176233645015   ? 0.136449397482   ? -0.565486685512  ? 0.189979688115  ? 
-0.124999495465  ? -0.643226227809  ? 1.1986739318    ? 0.116687922572   ? 0.0576022666473  ? 
6  'X-RAY DIFFRACTION' ? refined -7.65040163443 -22.1406822073  11.1855447635  0.269047670172 ? -0.0249416614808   ? 
0.0798742955483   ? 0.156391578055 ? 0.0208675237323  ? 0.236193881037 ? 6.94061299669 ? 0.63697195955   ? 1.44343096976   ? 
6.96808130423 ? 1.6621977582    ? 2.07151143563 ? -0.195840972619  ? -0.0811070773617 ? -0.22025046554   ? 0.0766922715548 ? 
0.0831857880943  ? -0.0231026685078 ? 0.316984865147  ? -0.265847020596  ? 0.15702585652    ? 
7  'X-RAY DIFFRACTION' ? refined -4.529982535   -14.0448902822  17.3451111344  0.189043403079 ? -0.0117956375596   ? 
0.00979471754696  ? 0.163993011698 ? -0.0125101288837 ? 0.223988205615 ? 6.77680734676 ? -0.638165848133 ? 1.50548771403   ? 
6.67508656346 ? -0.479796298947 ? 5.26327920715 ? -0.37137605698   ? -0.184494599893  ? 0.0300456960292  ? 0.30138053392   ? 
0.227434780798   ? -0.480365585192  ? 0.0571887588876 ? 0.358932652576   ? 0.149013911905   ? 
8  'X-RAY DIFFRACTION' ? refined -4.79092672408 -33.5882806106  2.82795854105  0.721365325591 ? -0.0100016710258   ? 
0.171069849779    ? 0.246015113439 ? -0.103004205095  ? 0.584097661429 ? 2.02190878715 ? 2.06081350294   ? 3.91476720508   ? 
1.59182457878 ? -0.471341042837 ? 9.00736855713 ? -0.029200239318  ? 0.418851409642   ? -0.843266711583  ? -0.266119626836 ? 
0.127580247778   ? -0.345871348285  ? 0.230833878245  ? 0.39943044179    ? -0.0986686449352 ? 
9  'X-RAY DIFFRACTION' ? refined 1.80750547469  8.14177773768   21.7750377479  0.226458102217 ? -0.0409388795814   ? 
-0.00240893337895 ? 0.31284253361  ? -0.0601160226825 ? 0.141387371941 ? 4.20866191287 ? -4.08920993972  ? -2.45082739575  ? 
4.03601174983 ? 2.80138892488   ? 3.33896184545 ? 0.111017352975   ? -0.774527784215  ? 0.422327243756   ? 0.0730389229251 ? 
0.165063857118   ? -0.076921244325  ? 0.123970310154  ? 0.403087063744   ? -0.326904666784  ? 
10 'X-RAY DIFFRACTION' ? refined 8.92951253711  -0.541347661203 4.08443483248  0.189894297656 ? -0.0406038659922   ? 
0.00593672652575  ? 0.270960194274 ? -0.0281567155948 ? 0.163520740845 ? 3.8919531743  ? 0.72404268745   ? -0.893052042076 ? 
5.44689749019 ? 2.22500575698   ? 2.01366774943 ? 0.0319802386951  ? 0.58002195779    ? -0.160270131713  ? -0.241235357042 ? 
0.417303233601   ? -0.432375089248  ? 0.204644621771  ? 0.626797951537   ? -0.401977644027  ? 
11 'X-RAY DIFFRACTION' ? refined 4.52330713762  3.74405250413   4.81014577075  0.2027315747   ? -0.0363943776232   ? 
-0.0175932611782  ? 0.264677279424 ? -0.0202801396765 ? 0.128227319055 ? 5.49739693158 ? -1.4937636795   ? 0.117758929267  ? 
4.14602307553 ? 0.0699372371862 ? 5.83641268769 ? 0.124808407506   ? 0.311085016053   ? 0.0464273763394  ? -0.378975067509 ? 
-0.0015047535906 ? -0.493128689744  ? -0.30508005593  ? 0.667323339582   ? -0.13686249063   ? 
12 'X-RAY DIFFRACTION' ? refined 5.70190005116  5.09801204063   24.8737072349  0.216895212068 ? -0.0787673332334   ? 
-0.0435931394965  ? 0.374887950953 ? -0.0470738422212 ? 0.201266004732 ? 4.20905605341 ? -2.32418211689  ? -1.06470083994  ? 
9.77267073692 ? 5.14026810788   ? 7.38330401309 ? 0.0508423591787  ? -0.292880892976  ? 0.276548931074   ? 0.844096351239  ? 
0.141485087044   ? -0.739209169006  ? 0.404417532906  ? 0.457961728927   ? -0.186084121529  ? 
13 'X-RAY DIFFRACTION' ? refined -15.1628230992 -22.4871597522  16.066210107   0.298897965651 ? -0.0624401281675   ? 
0.073408608461    ? 0.317793134112 ? 0.0159512036944  ? 0.270736472648 ? 3.04914650533 ? -1.38503872505  ? 0.674846928049  ? 
4.90487478759 ? -3.37029427016  ? 4.44591785716 ? -0.0496593486563 ? -0.358228151997  ? -0.0432432351507 ? 0.284663763344  ? 
0.0155945508874  ? 0.197072673402   ? 0.255181317662  ? -0.270647384497  ? -0.0617408237131 ? 
14 'X-RAY DIFFRACTION' ? refined -10.1079843782 -13.6601920241  -1.99458982883 0.576935496022 ? -0.028237695673    ? 
-0.0475357526323  ? 0.326868624476 ? 0.0388628669517  ? 0.193591149609 ? 7.47544711776 ? 2.84455013296   ? -7.45605563507  ? 
6.94009744303 ? 0.141265914135  ? 9.02420719856 ? -0.219852773282  ? 1.29302111669    ? 0.775067550141   ? -0.979710651682 ? 
0.3782646029     ? 0.0655366076572  ? -0.651087357751 ? -0.836359093837  ? -0.181980260984  ? 
15 'X-RAY DIFFRACTION' ? refined -13.6059410058 -18.8565219067  8.81590772184  0.308359503166 ? -0.0521443885558   ? 
0.000165299617942 ? 0.16044367442  ? -0.0256579882945 ? 0.190722228152 ? 4.18537503754 ? 0.461447963132  ? -0.301683181288 ? 
3.43462709439 ? 1.32441780013   ? 4.18499297553 ? -0.197974431908  ? 0.236469724674   ? -0.0945047227912 ? -0.342224673803 ? 
0.0893275338827  ? 0.103286557676   ? 0.510805393969  ? -0.430829811567  ? 0.131387483116   ? 
# 
loop_
_pdbx_refine_tls_group.id 
_pdbx_refine_tls_group.pdbx_refine_id 
_pdbx_refine_tls_group.refine_tls_id 
_pdbx_refine_tls_group.beg_label_asym_id 
_pdbx_refine_tls_group.beg_label_seq_id 
_pdbx_refine_tls_group.beg_auth_asym_id 
_pdbx_refine_tls_group.beg_auth_seq_id 
_pdbx_refine_tls_group.beg_PDB_ins_code 
_pdbx_refine_tls_group.end_label_asym_id 
_pdbx_refine_tls_group.end_label_seq_id 
_pdbx_refine_tls_group.end_auth_asym_id 
_pdbx_refine_tls_group.end_auth_seq_id 
_pdbx_refine_tls_group.end_PDB_ins_code 
_pdbx_refine_tls_group.selection 
_pdbx_refine_tls_group.selection_details 
1  'X-RAY DIFFRACTION' 1  A 1  A 4  ? A 27  A 30  ? ? 
;chain 'A' and (resid 4 through 30 )
;
2  'X-RAY DIFFRACTION' 2  A 28 A 31 ? A 81  A 84  ? ? 
;chain 'A' and (resid 31 through 84 )
;
3  'X-RAY DIFFRACTION' 3  A 82 A 85 ? A 86  A 89  ? ? 
;chain 'A' and (resid 85 through 89 )
;
4  'X-RAY DIFFRACTION' 4  A 87 A 90 ? A 101 A 104 ? ? 
;chain 'A' and (resid 90 through 104 )
;
5  'X-RAY DIFFRACTION' 5  B 1  B 4  ? B 27  B 30  ? ? 
;chain 'B' and (resid 4 through 30 )
;
6  'X-RAY DIFFRACTION' 6  B 28 B 31 ? B 54  B 57  ? ? 
;chain 'B' and (resid 31 through 57 )
;
7  'X-RAY DIFFRACTION' 7  B 55 B 58 ? B 86  B 89  ? ? 
;chain 'B' and (resid 58 through 89 )
;
8  'X-RAY DIFFRACTION' 8  B 87 B 90 ? B 102 B 105 ? ? 
;chain 'B' and (resid 90 through 105 )
;
9  'X-RAY DIFFRACTION' 9  C ?  D 20 ? C ?   D 26  ? ? 
;chain 'D' and (resid 20 through 26 )
;
10 'X-RAY DIFFRACTION' 10 C ?  D 27 ? C ?   D 31  ? ? 
;chain 'D' and (resid 27 through 31 )
;
11 'X-RAY DIFFRACTION' 11 C ?  D 41 ? C ?   D 46  ? ? 
;chain 'D' and (resid 41 through 46 )
;
12 'X-RAY DIFFRACTION' 12 C ?  D 47 ? C ?   D 52  ? ? 
;chain 'D' and (resid 47 through 52 )
;
13 'X-RAY DIFFRACTION' 13 D ?  C 20 ? D ?   C 26  ? ? 
;chain 'C' and (resid 20 through 26 )
;
14 'X-RAY DIFFRACTION' 14 D ?  C 27 ? D ?   C 31  ? ? 
;chain 'C' and (resid 27 through 31 )
;
15 'X-RAY DIFFRACTION' 15 D ?  C 41 ? D ?   C 52  ? ? 
;chain 'C' and (resid 41 through 52 )
;
# 
loop_
_pdbx_distant_solvent_atoms.id 
_pdbx_distant_solvent_atoms.PDB_model_num 
_pdbx_distant_solvent_atoms.auth_atom_id 
_pdbx_distant_solvent_atoms.label_alt_id 
_pdbx_distant_solvent_atoms.auth_asym_id 
_pdbx_distant_solvent_atoms.auth_comp_id 
_pdbx_distant_solvent_atoms.auth_seq_id 
_pdbx_distant_solvent_atoms.PDB_ins_code 
_pdbx_distant_solvent_atoms.neighbor_macromolecule_distance 
_pdbx_distant_solvent_atoms.neighbor_ligand_distance 
1 1 O ? A HOH 300 ? 5.91 . 
2 1 O ? A HOH 301 ? 8.68 . 
3 1 O ? B HOH 283 ? 7.50 . 
4 1 O ? D HOH 157 ? 5.88 . 
5 1 O ? F HOH 142 ? 5.96 . 
6 1 O ? F HOH 143 ? 6.82 . 
7 1 O ? F HOH 144 ? 6.82 . 
# 
loop_
_pdbx_unobs_or_zero_occ_residues.id 
_pdbx_unobs_or_zero_occ_residues.PDB_model_num 
_pdbx_unobs_or_zero_occ_residues.polymer_flag 
_pdbx_unobs_or_zero_occ_residues.occupancy_flag 
_pdbx_unobs_or_zero_occ_residues.auth_asym_id 
_pdbx_unobs_or_zero_occ_residues.auth_comp_id 
_pdbx_unobs_or_zero_occ_residues.auth_seq_id 
_pdbx_unobs_or_zero_occ_residues.PDB_ins_code 
_pdbx_unobs_or_zero_occ_residues.label_asym_id 
_pdbx_unobs_or_zero_occ_residues.label_comp_id 
_pdbx_unobs_or_zero_occ_residues.label_seq_id 
1  1 Y 1 A MET 1   ? A MET 1   
2  1 Y 1 A ILE 2   ? A ILE 2   
3  1 Y 1 A VAL 3   ? A VAL 3   
4  1 Y 1 A LYS 105 ? A LYS 105 
5  1 Y 1 A ILE 106 ? A ILE 106 
6  1 Y 1 A LEU 107 ? A LEU 107 
7  1 Y 1 A TYR 108 ? A TYR 108 
8  1 Y 1 A ASP 109 ? A ASP 109 
9  1 Y 1 A LEU 110 ? A LEU 110 
10 1 Y 1 A GLU 111 ? A GLU 111 
11 1 Y 1 B MET 1   ? B MET 1   
12 1 Y 1 B ILE 2   ? B ILE 2   
13 1 Y 1 B VAL 3   ? B VAL 3   
14 1 Y 1 B ILE 106 ? B ILE 106 
15 1 Y 1 B LEU 107 ? B LEU 107 
16 1 Y 1 B TYR 108 ? B TYR 108 
17 1 Y 1 B ASP 109 ? B ASP 109 
18 1 Y 1 B LEU 110 ? B LEU 110 
19 1 Y 1 B GLU 111 ? B GLU 111 
# 
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 
ARG N      N  N N 1   
ARG CA     C  N S 2   
ARG C      C  N N 3   
ARG O      O  N N 4   
ARG CB     C  N N 5   
ARG CG     C  N N 6   
ARG CD     C  N N 7   
ARG NE     N  N N 8   
ARG CZ     C  N N 9   
ARG NH1    N  N N 10  
ARG NH2    N  N N 11  
ARG OXT    O  N N 12  
ARG H      H  N N 13  
ARG H2     H  N N 14  
ARG HA     H  N N 15  
ARG HB2    H  N N 16  
ARG HB3    H  N N 17  
ARG HG2    H  N N 18  
ARG HG3    H  N N 19  
ARG HD2    H  N N 20  
ARG HD3    H  N N 21  
ARG HE     H  N N 22  
ARG HH11   H  N N 23  
ARG HH12   H  N N 24  
ARG HH21   H  N N 25  
ARG HH22   H  N N 26  
ARG HXT    H  N N 27  
ASN N      N  N N 28  
ASN CA     C  N S 29  
ASN C      C  N N 30  
ASN O      O  N N 31  
ASN CB     C  N N 32  
ASN CG     C  N N 33  
ASN OD1    O  N N 34  
ASN ND2    N  N N 35  
ASN OXT    O  N N 36  
ASN H      H  N N 37  
ASN H2     H  N N 38  
ASN HA     H  N N 39  
ASN HB2    H  N N 40  
ASN HB3    H  N N 41  
ASN HD21   H  N N 42  
ASN HD22   H  N N 43  
ASN HXT    H  N N 44  
ASP N      N  N N 45  
ASP CA     C  N S 46  
ASP C      C  N N 47  
ASP O      O  N N 48  
ASP CB     C  N N 49  
ASP CG     C  N N 50  
ASP OD1    O  N N 51  
ASP OD2    O  N N 52  
ASP OXT    O  N N 53  
ASP H      H  N N 54  
ASP H2     H  N N 55  
ASP HA     H  N N 56  
ASP HB2    H  N N 57  
ASP HB3    H  N N 58  
ASP HD2    H  N N 59  
ASP HXT    H  N N 60  
BRU N1     N  N N 61  
BRU C2     C  N N 62  
BRU N3     N  N N 63  
BRU C4     C  N N 64  
BRU C5     C  N N 65  
BRU C6     C  N N 66  
BRU O2     O  N N 67  
BRU O4     O  N N 68  
BRU BR     BR N N 69  
BRU "C1'"  C  N R 70  
BRU "C2'"  C  N N 71  
BRU "C3'"  C  N S 72  
BRU "C4'"  C  N R 73  
BRU "O3'"  O  N N 74  
BRU "O4'"  O  N N 75  
BRU "C5'"  C  N N 76  
BRU "O5'"  O  N N 77  
BRU P      P  N N 78  
BRU OP1    O  N N 79  
BRU OP2    O  N N 80  
BRU OP3    O  N N 81  
BRU HN3    H  N N 82  
BRU H6     H  N N 83  
BRU "H1'"  H  N N 84  
BRU "H2'"  H  N N 85  
BRU "H2''" H  N N 86  
BRU "H3'"  H  N N 87  
BRU "H4'"  H  N N 88  
BRU "HO3'" H  N N 89  
BRU "H5'"  H  N N 90  
BRU "H5''" H  N N 91  
BRU HOP2   H  N N 92  
BRU HOP3   H  N N 93  
DA  OP3    O  N N 94  
DA  P      P  N N 95  
DA  OP1    O  N N 96  
DA  OP2    O  N N 97  
DA  "O5'"  O  N N 98  
DA  "C5'"  C  N N 99  
DA  "C4'"  C  N R 100 
DA  "O4'"  O  N N 101 
DA  "C3'"  C  N S 102 
DA  "O3'"  O  N N 103 
DA  "C2'"  C  N N 104 
DA  "C1'"  C  N R 105 
DA  N9     N  Y N 106 
DA  C8     C  Y N 107 
DA  N7     N  Y N 108 
DA  C5     C  Y N 109 
DA  C6     C  Y N 110 
DA  N6     N  N N 111 
DA  N1     N  Y N 112 
DA  C2     C  Y N 113 
DA  N3     N  Y N 114 
DA  C4     C  Y N 115 
DA  HOP3   H  N N 116 
DA  HOP2   H  N N 117 
DA  "H5'"  H  N N 118 
DA  "H5''" H  N N 119 
DA  "H4'"  H  N N 120 
DA  "H3'"  H  N N 121 
DA  "HO3'" H  N N 122 
DA  "H2'"  H  N N 123 
DA  "H2''" H  N N 124 
DA  "H1'"  H  N N 125 
DA  H8     H  N N 126 
DA  H61    H  N N 127 
DA  H62    H  N N 128 
DA  H2     H  N N 129 
DC  OP3    O  N N 130 
DC  P      P  N N 131 
DC  OP1    O  N N 132 
DC  OP2    O  N N 133 
DC  "O5'"  O  N N 134 
DC  "C5'"  C  N N 135 
DC  "C4'"  C  N R 136 
DC  "O4'"  O  N N 137 
DC  "C3'"  C  N S 138 
DC  "O3'"  O  N N 139 
DC  "C2'"  C  N N 140 
DC  "C1'"  C  N R 141 
DC  N1     N  N N 142 
DC  C2     C  N N 143 
DC  O2     O  N N 144 
DC  N3     N  N N 145 
DC  C4     C  N N 146 
DC  N4     N  N N 147 
DC  C5     C  N N 148 
DC  C6     C  N N 149 
DC  HOP3   H  N N 150 
DC  HOP2   H  N N 151 
DC  "H5'"  H  N N 152 
DC  "H5''" H  N N 153 
DC  "H4'"  H  N N 154 
DC  "H3'"  H  N N 155 
DC  "HO3'" H  N N 156 
DC  "H2'"  H  N N 157 
DC  "H2''" H  N N 158 
DC  "H1'"  H  N N 159 
DC  H41    H  N N 160 
DC  H42    H  N N 161 
DC  H5     H  N N 162 
DC  H6     H  N N 163 
DG  OP3    O  N N 164 
DG  P      P  N N 165 
DG  OP1    O  N N 166 
DG  OP2    O  N N 167 
DG  "O5'"  O  N N 168 
DG  "C5'"  C  N N 169 
DG  "C4'"  C  N R 170 
DG  "O4'"  O  N N 171 
DG  "C3'"  C  N S 172 
DG  "O3'"  O  N N 173 
DG  "C2'"  C  N N 174 
DG  "C1'"  C  N R 175 
DG  N9     N  Y N 176 
DG  C8     C  Y N 177 
DG  N7     N  Y N 178 
DG  C5     C  Y N 179 
DG  C6     C  N N 180 
DG  O6     O  N N 181 
DG  N1     N  N N 182 
DG  C2     C  N N 183 
DG  N2     N  N N 184 
DG  N3     N  N N 185 
DG  C4     C  Y N 186 
DG  HOP3   H  N N 187 
DG  HOP2   H  N N 188 
DG  "H5'"  H  N N 189 
DG  "H5''" H  N N 190 
DG  "H4'"  H  N N 191 
DG  "H3'"  H  N N 192 
DG  "HO3'" H  N N 193 
DG  "H2'"  H  N N 194 
DG  "H2''" H  N N 195 
DG  "H1'"  H  N N 196 
DG  H8     H  N N 197 
DG  H1     H  N N 198 
DG  H21    H  N N 199 
DG  H22    H  N N 200 
DT  OP3    O  N N 201 
DT  P      P  N N 202 
DT  OP1    O  N N 203 
DT  OP2    O  N N 204 
DT  "O5'"  O  N N 205 
DT  "C5'"  C  N N 206 
DT  "C4'"  C  N R 207 
DT  "O4'"  O  N N 208 
DT  "C3'"  C  N S 209 
DT  "O3'"  O  N N 210 
DT  "C2'"  C  N N 211 
DT  "C1'"  C  N R 212 
DT  N1     N  N N 213 
DT  C2     C  N N 214 
DT  O2     O  N N 215 
DT  N3     N  N N 216 
DT  C4     C  N N 217 
DT  O4     O  N N 218 
DT  C5     C  N N 219 
DT  C7     C  N N 220 
DT  C6     C  N N 221 
DT  HOP3   H  N N 222 
DT  HOP2   H  N N 223 
DT  "H5'"  H  N N 224 
DT  "H5''" H  N N 225 
DT  "H4'"  H  N N 226 
DT  "H3'"  H  N N 227 
DT  "HO3'" H  N N 228 
DT  "H2'"  H  N N 229 
DT  "H2''" H  N N 230 
DT  "H1'"  H  N N 231 
DT  H3     H  N N 232 
DT  H71    H  N N 233 
DT  H72    H  N N 234 
DT  H73    H  N N 235 
DT  H6     H  N N 236 
GLN N      N  N N 237 
GLN CA     C  N S 238 
GLN C      C  N N 239 
GLN O      O  N N 240 
GLN CB     C  N N 241 
GLN CG     C  N N 242 
GLN CD     C  N N 243 
GLN OE1    O  N N 244 
GLN NE2    N  N N 245 
GLN OXT    O  N N 246 
GLN H      H  N N 247 
GLN H2     H  N N 248 
GLN HA     H  N N 249 
GLN HB2    H  N N 250 
GLN HB3    H  N N 251 
GLN HG2    H  N N 252 
GLN HG3    H  N N 253 
GLN HE21   H  N N 254 
GLN HE22   H  N N 255 
GLN HXT    H  N N 256 
GLU N      N  N N 257 
GLU CA     C  N S 258 
GLU C      C  N N 259 
GLU O      O  N N 260 
GLU CB     C  N N 261 
GLU CG     C  N N 262 
GLU CD     C  N N 263 
GLU OE1    O  N N 264 
GLU OE2    O  N N 265 
GLU OXT    O  N N 266 
GLU H      H  N N 267 
GLU H2     H  N N 268 
GLU HA     H  N N 269 
GLU HB2    H  N N 270 
GLU HB3    H  N N 271 
GLU HG2    H  N N 272 
GLU HG3    H  N N 273 
GLU HE2    H  N N 274 
GLU HXT    H  N N 275 
GLY N      N  N N 276 
GLY CA     C  N N 277 
GLY C      C  N N 278 
GLY O      O  N N 279 
GLY OXT    O  N N 280 
GLY H      H  N N 281 
GLY H2     H  N N 282 
GLY HA2    H  N N 283 
GLY HA3    H  N N 284 
GLY HXT    H  N N 285 
HIS N      N  N N 286 
HIS CA     C  N S 287 
HIS C      C  N N 288 
HIS O      O  N N 289 
HIS CB     C  N N 290 
HIS CG     C  Y N 291 
HIS ND1    N  Y N 292 
HIS CD2    C  Y N 293 
HIS CE1    C  Y N 294 
HIS NE2    N  Y N 295 
HIS OXT    O  N N 296 
HIS H      H  N N 297 
HIS H2     H  N N 298 
HIS HA     H  N N 299 
HIS HB2    H  N N 300 
HIS HB3    H  N N 301 
HIS HD1    H  N N 302 
HIS HD2    H  N N 303 
HIS HE1    H  N N 304 
HIS HE2    H  N N 305 
HIS HXT    H  N N 306 
HOH O      O  N N 307 
HOH H1     H  N N 308 
HOH H2     H  N N 309 
ILE N      N  N N 310 
ILE CA     C  N S 311 
ILE C      C  N N 312 
ILE O      O  N N 313 
ILE CB     C  N S 314 
ILE CG1    C  N N 315 
ILE CG2    C  N N 316 
ILE CD1    C  N N 317 
ILE OXT    O  N N 318 
ILE H      H  N N 319 
ILE H2     H  N N 320 
ILE HA     H  N N 321 
ILE HB     H  N N 322 
ILE HG12   H  N N 323 
ILE HG13   H  N N 324 
ILE HG21   H  N N 325 
ILE HG22   H  N N 326 
ILE HG23   H  N N 327 
ILE HD11   H  N N 328 
ILE HD12   H  N N 329 
ILE HD13   H  N N 330 
ILE HXT    H  N N 331 
LEU N      N  N N 332 
LEU CA     C  N S 333 
LEU C      C  N N 334 
LEU O      O  N N 335 
LEU CB     C  N N 336 
LEU CG     C  N N 337 
LEU CD1    C  N N 338 
LEU CD2    C  N N 339 
LEU OXT    O  N N 340 
LEU H      H  N N 341 
LEU H2     H  N N 342 
LEU HA     H  N N 343 
LEU HB2    H  N N 344 
LEU HB3    H  N N 345 
LEU HG     H  N N 346 
LEU HD11   H  N N 347 
LEU HD12   H  N N 348 
LEU HD13   H  N N 349 
LEU HD21   H  N N 350 
LEU HD22   H  N N 351 
LEU HD23   H  N N 352 
LEU HXT    H  N N 353 
LYS N      N  N N 354 
LYS CA     C  N S 355 
LYS C      C  N N 356 
LYS O      O  N N 357 
LYS CB     C  N N 358 
LYS CG     C  N N 359 
LYS CD     C  N N 360 
LYS CE     C  N N 361 
LYS NZ     N  N N 362 
LYS OXT    O  N N 363 
LYS H      H  N N 364 
LYS H2     H  N N 365 
LYS HA     H  N N 366 
LYS HB2    H  N N 367 
LYS HB3    H  N N 368 
LYS HG2    H  N N 369 
LYS HG3    H  N N 370 
LYS HD2    H  N N 371 
LYS HD3    H  N N 372 
LYS HE2    H  N N 373 
LYS HE3    H  N N 374 
LYS HZ1    H  N N 375 
LYS HZ2    H  N N 376 
LYS HZ3    H  N N 377 
LYS HXT    H  N N 378 
MET N      N  N N 379 
MET CA     C  N S 380 
MET C      C  N N 381 
MET O      O  N N 382 
MET CB     C  N N 383 
MET CG     C  N N 384 
MET SD     S  N N 385 
MET CE     C  N N 386 
MET OXT    O  N N 387 
MET H      H  N N 388 
MET H2     H  N N 389 
MET HA     H  N N 390 
MET HB2    H  N N 391 
MET HB3    H  N N 392 
MET HG2    H  N N 393 
MET HG3    H  N N 394 
MET HE1    H  N N 395 
MET HE2    H  N N 396 
MET HE3    H  N N 397 
MET HXT    H  N N 398 
PHE N      N  N N 399 
PHE CA     C  N S 400 
PHE C      C  N N 401 
PHE O      O  N N 402 
PHE CB     C  N N 403 
PHE CG     C  Y N 404 
PHE CD1    C  Y N 405 
PHE CD2    C  Y N 406 
PHE CE1    C  Y N 407 
PHE CE2    C  Y N 408 
PHE CZ     C  Y N 409 
PHE OXT    O  N N 410 
PHE H      H  N N 411 
PHE H2     H  N N 412 
PHE HA     H  N N 413 
PHE HB2    H  N N 414 
PHE HB3    H  N N 415 
PHE HD1    H  N N 416 
PHE HD2    H  N N 417 
PHE HE1    H  N N 418 
PHE HE2    H  N N 419 
PHE HZ     H  N N 420 
PHE HXT    H  N N 421 
PRO N      N  N N 422 
PRO CA     C  N S 423 
PRO C      C  N N 424 
PRO O      O  N N 425 
PRO CB     C  N N 426 
PRO CG     C  N N 427 
PRO CD     C  N N 428 
PRO OXT    O  N N 429 
PRO H      H  N N 430 
PRO HA     H  N N 431 
PRO HB2    H  N N 432 
PRO HB3    H  N N 433 
PRO HG2    H  N N 434 
PRO HG3    H  N N 435 
PRO HD2    H  N N 436 
PRO HD3    H  N N 437 
PRO HXT    H  N N 438 
SER N      N  N N 439 
SER CA     C  N S 440 
SER C      C  N N 441 
SER O      O  N N 442 
SER CB     C  N N 443 
SER OG     O  N N 444 
SER OXT    O  N N 445 
SER H      H  N N 446 
SER H2     H  N N 447 
SER HA     H  N N 448 
SER HB2    H  N N 449 
SER HB3    H  N N 450 
SER HG     H  N N 451 
SER HXT    H  N N 452 
THR N      N  N N 453 
THR CA     C  N S 454 
THR C      C  N N 455 
THR O      O  N N 456 
THR CB     C  N R 457 
THR OG1    O  N N 458 
THR CG2    C  N N 459 
THR OXT    O  N N 460 
THR H      H  N N 461 
THR H2     H  N N 462 
THR HA     H  N N 463 
THR HB     H  N N 464 
THR HG1    H  N N 465 
THR HG21   H  N N 466 
THR HG22   H  N N 467 
THR HG23   H  N N 468 
THR HXT    H  N N 469 
TRP N      N  N N 470 
TRP CA     C  N S 471 
TRP C      C  N N 472 
TRP O      O  N N 473 
TRP CB     C  N N 474 
TRP CG     C  Y N 475 
TRP CD1    C  Y N 476 
TRP CD2    C  Y N 477 
TRP NE1    N  Y N 478 
TRP CE2    C  Y N 479 
TRP CE3    C  Y N 480 
TRP CZ2    C  Y N 481 
TRP CZ3    C  Y N 482 
TRP CH2    C  Y N 483 
TRP OXT    O  N N 484 
TRP H      H  N N 485 
TRP H2     H  N N 486 
TRP HA     H  N N 487 
TRP HB2    H  N N 488 
TRP HB3    H  N N 489 
TRP HD1    H  N N 490 
TRP HE1    H  N N 491 
TRP HE3    H  N N 492 
TRP HZ2    H  N N 493 
TRP HZ3    H  N N 494 
TRP HH2    H  N N 495 
TRP HXT    H  N N 496 
TYR N      N  N N 497 
TYR CA     C  N S 498 
TYR C      C  N N 499 
TYR O      O  N N 500 
TYR CB     C  N N 501 
TYR CG     C  Y N 502 
TYR CD1    C  Y N 503 
TYR CD2    C  Y N 504 
TYR CE1    C  Y N 505 
TYR CE2    C  Y N 506 
TYR CZ     C  Y N 507 
TYR OH     O  N N 508 
TYR OXT    O  N N 509 
TYR H      H  N N 510 
TYR H2     H  N N 511 
TYR HA     H  N N 512 
TYR HB2    H  N N 513 
TYR HB3    H  N N 514 
TYR HD1    H  N N 515 
TYR HD2    H  N N 516 
TYR HE1    H  N N 517 
TYR HE2    H  N N 518 
TYR HH     H  N N 519 
TYR HXT    H  N N 520 
VAL N      N  N N 521 
VAL CA     C  N S 522 
VAL C      C  N N 523 
VAL O      O  N N 524 
VAL CB     C  N N 525 
VAL CG1    C  N N 526 
VAL CG2    C  N N 527 
VAL OXT    O  N N 528 
VAL H      H  N N 529 
VAL H2     H  N N 530 
VAL HA     H  N N 531 
VAL HB     H  N N 532 
VAL HG11   H  N N 533 
VAL HG12   H  N N 534 
VAL HG13   H  N N 535 
VAL HG21   H  N N 536 
VAL HG22   H  N N 537 
VAL HG23   H  N N 538 
VAL HXT    H  N N 539 
# 
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 
ARG N     CA     sing N N 1   
ARG N     H      sing N N 2   
ARG N     H2     sing N N 3   
ARG CA    C      sing N N 4   
ARG CA    CB     sing N N 5   
ARG CA    HA     sing N N 6   
ARG C     O      doub N N 7   
ARG C     OXT    sing N N 8   
ARG CB    CG     sing N N 9   
ARG CB    HB2    sing N N 10  
ARG CB    HB3    sing N N 11  
ARG CG    CD     sing N N 12  
ARG CG    HG2    sing N N 13  
ARG CG    HG3    sing N N 14  
ARG CD    NE     sing N N 15  
ARG CD    HD2    sing N N 16  
ARG CD    HD3    sing N N 17  
ARG NE    CZ     sing N N 18  
ARG NE    HE     sing N N 19  
ARG CZ    NH1    sing N N 20  
ARG CZ    NH2    doub N N 21  
ARG NH1   HH11   sing N N 22  
ARG NH1   HH12   sing N N 23  
ARG NH2   HH21   sing N N 24  
ARG NH2   HH22   sing N N 25  
ARG OXT   HXT    sing N N 26  
ASN N     CA     sing N N 27  
ASN N     H      sing N N 28  
ASN N     H2     sing N N 29  
ASN CA    C      sing N N 30  
ASN CA    CB     sing N N 31  
ASN CA    HA     sing N N 32  
ASN C     O      doub N N 33  
ASN C     OXT    sing N N 34  
ASN CB    CG     sing N N 35  
ASN CB    HB2    sing N N 36  
ASN CB    HB3    sing N N 37  
ASN CG    OD1    doub N N 38  
ASN CG    ND2    sing N N 39  
ASN ND2   HD21   sing N N 40  
ASN ND2   HD22   sing N N 41  
ASN OXT   HXT    sing N N 42  
ASP N     CA     sing N N 43  
ASP N     H      sing N N 44  
ASP N     H2     sing N N 45  
ASP CA    C      sing N N 46  
ASP CA    CB     sing N N 47  
ASP CA    HA     sing N N 48  
ASP C     O      doub N N 49  
ASP C     OXT    sing N N 50  
ASP CB    CG     sing N N 51  
ASP CB    HB2    sing N N 52  
ASP CB    HB3    sing N N 53  
ASP CG    OD1    doub N N 54  
ASP CG    OD2    sing N N 55  
ASP OD2   HD2    sing N N 56  
ASP OXT   HXT    sing N N 57  
BRU N1    C2     sing N N 58  
BRU N1    C6     sing N N 59  
BRU N1    "C1'"  sing N N 60  
BRU C2    N3     sing N N 61  
BRU C2    O2     doub N N 62  
BRU N3    C4     sing N N 63  
BRU N3    HN3    sing N N 64  
BRU C4    C5     sing N N 65  
BRU C4    O4     doub N N 66  
BRU C5    C6     doub N N 67  
BRU C5    BR     sing N N 68  
BRU C6    H6     sing N N 69  
BRU "C1'" "C2'"  sing N N 70  
BRU "C1'" "O4'"  sing N N 71  
BRU "C1'" "H1'"  sing N N 72  
BRU "C2'" "C3'"  sing N N 73  
BRU "C2'" "H2'"  sing N N 74  
BRU "C2'" "H2''" sing N N 75  
BRU "C3'" "C4'"  sing N N 76  
BRU "C3'" "O3'"  sing N N 77  
BRU "C3'" "H3'"  sing N N 78  
BRU "C4'" "O4'"  sing N N 79  
BRU "C4'" "C5'"  sing N N 80  
BRU "C4'" "H4'"  sing N N 81  
BRU "O3'" "HO3'" sing N N 82  
BRU "C5'" "O5'"  sing N N 83  
BRU "C5'" "H5'"  sing N N 84  
BRU "C5'" "H5''" sing N N 85  
BRU "O5'" P      sing N N 86  
BRU P     OP1    doub N N 87  
BRU P     OP2    sing N N 88  
BRU P     OP3    sing N N 89  
BRU OP2   HOP2   sing N N 90  
BRU OP3   HOP3   sing N N 91  
DA  OP3   P      sing N N 92  
DA  OP3   HOP3   sing N N 93  
DA  P     OP1    doub N N 94  
DA  P     OP2    sing N N 95  
DA  P     "O5'"  sing N N 96  
DA  OP2   HOP2   sing N N 97  
DA  "O5'" "C5'"  sing N N 98  
DA  "C5'" "C4'"  sing N N 99  
DA  "C5'" "H5'"  sing N N 100 
DA  "C5'" "H5''" sing N N 101 
DA  "C4'" "O4'"  sing N N 102 
DA  "C4'" "C3'"  sing N N 103 
DA  "C4'" "H4'"  sing N N 104 
DA  "O4'" "C1'"  sing N N 105 
DA  "C3'" "O3'"  sing N N 106 
DA  "C3'" "C2'"  sing N N 107 
DA  "C3'" "H3'"  sing N N 108 
DA  "O3'" "HO3'" sing N N 109 
DA  "C2'" "C1'"  sing N N 110 
DA  "C2'" "H2'"  sing N N 111 
DA  "C2'" "H2''" sing N N 112 
DA  "C1'" N9     sing N N 113 
DA  "C1'" "H1'"  sing N N 114 
DA  N9    C8     sing Y N 115 
DA  N9    C4     sing Y N 116 
DA  C8    N7     doub Y N 117 
DA  C8    H8     sing N N 118 
DA  N7    C5     sing Y N 119 
DA  C5    C6     sing Y N 120 
DA  C5    C4     doub Y N 121 
DA  C6    N6     sing N N 122 
DA  C6    N1     doub Y N 123 
DA  N6    H61    sing N N 124 
DA  N6    H62    sing N N 125 
DA  N1    C2     sing Y N 126 
DA  C2    N3     doub Y N 127 
DA  C2    H2     sing N N 128 
DA  N3    C4     sing Y N 129 
DC  OP3   P      sing N N 130 
DC  OP3   HOP3   sing N N 131 
DC  P     OP1    doub N N 132 
DC  P     OP2    sing N N 133 
DC  P     "O5'"  sing N N 134 
DC  OP2   HOP2   sing N N 135 
DC  "O5'" "C5'"  sing N N 136 
DC  "C5'" "C4'"  sing N N 137 
DC  "C5'" "H5'"  sing N N 138 
DC  "C5'" "H5''" sing N N 139 
DC  "C4'" "O4'"  sing N N 140 
DC  "C4'" "C3'"  sing N N 141 
DC  "C4'" "H4'"  sing N N 142 
DC  "O4'" "C1'"  sing N N 143 
DC  "C3'" "O3'"  sing N N 144 
DC  "C3'" "C2'"  sing N N 145 
DC  "C3'" "H3'"  sing N N 146 
DC  "O3'" "HO3'" sing N N 147 
DC  "C2'" "C1'"  sing N N 148 
DC  "C2'" "H2'"  sing N N 149 
DC  "C2'" "H2''" sing N N 150 
DC  "C1'" N1     sing N N 151 
DC  "C1'" "H1'"  sing N N 152 
DC  N1    C2     sing N N 153 
DC  N1    C6     sing N N 154 
DC  C2    O2     doub N N 155 
DC  C2    N3     sing N N 156 
DC  N3    C4     doub N N 157 
DC  C4    N4     sing N N 158 
DC  C4    C5     sing N N 159 
DC  N4    H41    sing N N 160 
DC  N4    H42    sing N N 161 
DC  C5    C6     doub N N 162 
DC  C5    H5     sing N N 163 
DC  C6    H6     sing N N 164 
DG  OP3   P      sing N N 165 
DG  OP3   HOP3   sing N N 166 
DG  P     OP1    doub N N 167 
DG  P     OP2    sing N N 168 
DG  P     "O5'"  sing N N 169 
DG  OP2   HOP2   sing N N 170 
DG  "O5'" "C5'"  sing N N 171 
DG  "C5'" "C4'"  sing N N 172 
DG  "C5'" "H5'"  sing N N 173 
DG  "C5'" "H5''" sing N N 174 
DG  "C4'" "O4'"  sing N N 175 
DG  "C4'" "C3'"  sing N N 176 
DG  "C4'" "H4'"  sing N N 177 
DG  "O4'" "C1'"  sing N N 178 
DG  "C3'" "O3'"  sing N N 179 
DG  "C3'" "C2'"  sing N N 180 
DG  "C3'" "H3'"  sing N N 181 
DG  "O3'" "HO3'" sing N N 182 
DG  "C2'" "C1'"  sing N N 183 
DG  "C2'" "H2'"  sing N N 184 
DG  "C2'" "H2''" sing N N 185 
DG  "C1'" N9     sing N N 186 
DG  "C1'" "H1'"  sing N N 187 
DG  N9    C8     sing Y N 188 
DG  N9    C4     sing Y N 189 
DG  C8    N7     doub Y N 190 
DG  C8    H8     sing N N 191 
DG  N7    C5     sing Y N 192 
DG  C5    C6     sing N N 193 
DG  C5    C4     doub Y N 194 
DG  C6    O6     doub N N 195 
DG  C6    N1     sing N N 196 
DG  N1    C2     sing N N 197 
DG  N1    H1     sing N N 198 
DG  C2    N2     sing N N 199 
DG  C2    N3     doub N N 200 
DG  N2    H21    sing N N 201 
DG  N2    H22    sing N N 202 
DG  N3    C4     sing N N 203 
DT  OP3   P      sing N N 204 
DT  OP3   HOP3   sing N N 205 
DT  P     OP1    doub N N 206 
DT  P     OP2    sing N N 207 
DT  P     "O5'"  sing N N 208 
DT  OP2   HOP2   sing N N 209 
DT  "O5'" "C5'"  sing N N 210 
DT  "C5'" "C4'"  sing N N 211 
DT  "C5'" "H5'"  sing N N 212 
DT  "C5'" "H5''" sing N N 213 
DT  "C4'" "O4'"  sing N N 214 
DT  "C4'" "C3'"  sing N N 215 
DT  "C4'" "H4'"  sing N N 216 
DT  "O4'" "C1'"  sing N N 217 
DT  "C3'" "O3'"  sing N N 218 
DT  "C3'" "C2'"  sing N N 219 
DT  "C3'" "H3'"  sing N N 220 
DT  "O3'" "HO3'" sing N N 221 
DT  "C2'" "C1'"  sing N N 222 
DT  "C2'" "H2'"  sing N N 223 
DT  "C2'" "H2''" sing N N 224 
DT  "C1'" N1     sing N N 225 
DT  "C1'" "H1'"  sing N N 226 
DT  N1    C2     sing N N 227 
DT  N1    C6     sing N N 228 
DT  C2    O2     doub N N 229 
DT  C2    N3     sing N N 230 
DT  N3    C4     sing N N 231 
DT  N3    H3     sing N N 232 
DT  C4    O4     doub N N 233 
DT  C4    C5     sing N N 234 
DT  C5    C7     sing N N 235 
DT  C5    C6     doub N N 236 
DT  C7    H71    sing N N 237 
DT  C7    H72    sing N N 238 
DT  C7    H73    sing N N 239 
DT  C6    H6     sing N N 240 
GLN N     CA     sing N N 241 
GLN N     H      sing N N 242 
GLN N     H2     sing N N 243 
GLN CA    C      sing N N 244 
GLN CA    CB     sing N N 245 
GLN CA    HA     sing N N 246 
GLN C     O      doub N N 247 
GLN C     OXT    sing N N 248 
GLN CB    CG     sing N N 249 
GLN CB    HB2    sing N N 250 
GLN CB    HB3    sing N N 251 
GLN CG    CD     sing N N 252 
GLN CG    HG2    sing N N 253 
GLN CG    HG3    sing N N 254 
GLN CD    OE1    doub N N 255 
GLN CD    NE2    sing N N 256 
GLN NE2   HE21   sing N N 257 
GLN NE2   HE22   sing N N 258 
GLN OXT   HXT    sing N N 259 
GLU N     CA     sing N N 260 
GLU N     H      sing N N 261 
GLU N     H2     sing N N 262 
GLU CA    C      sing N N 263 
GLU CA    CB     sing N N 264 
GLU CA    HA     sing N N 265 
GLU C     O      doub N N 266 
GLU C     OXT    sing N N 267 
GLU CB    CG     sing N N 268 
GLU CB    HB2    sing N N 269 
GLU CB    HB3    sing N N 270 
GLU CG    CD     sing N N 271 
GLU CG    HG2    sing N N 272 
GLU CG    HG3    sing N N 273 
GLU CD    OE1    doub N N 274 
GLU CD    OE2    sing N N 275 
GLU OE2   HE2    sing N N 276 
GLU OXT   HXT    sing N N 277 
GLY N     CA     sing N N 278 
GLY N     H      sing N N 279 
GLY N     H2     sing N N 280 
GLY CA    C      sing N N 281 
GLY CA    HA2    sing N N 282 
GLY CA    HA3    sing N N 283 
GLY C     O      doub N N 284 
GLY C     OXT    sing N N 285 
GLY OXT   HXT    sing N N 286 
HIS N     CA     sing N N 287 
HIS N     H      sing N N 288 
HIS N     H2     sing N N 289 
HIS CA    C      sing N N 290 
HIS CA    CB     sing N N 291 
HIS CA    HA     sing N N 292 
HIS C     O      doub N N 293 
HIS C     OXT    sing N N 294 
HIS CB    CG     sing N N 295 
HIS CB    HB2    sing N N 296 
HIS CB    HB3    sing N N 297 
HIS CG    ND1    sing Y N 298 
HIS CG    CD2    doub Y N 299 
HIS ND1   CE1    doub Y N 300 
HIS ND1   HD1    sing N N 301 
HIS CD2   NE2    sing Y N 302 
HIS CD2   HD2    sing N N 303 
HIS CE1   NE2    sing Y N 304 
HIS CE1   HE1    sing N N 305 
HIS NE2   HE2    sing N N 306 
HIS OXT   HXT    sing N N 307 
HOH O     H1     sing N N 308 
HOH O     H2     sing N N 309 
ILE N     CA     sing N N 310 
ILE N     H      sing N N 311 
ILE N     H2     sing N N 312 
ILE CA    C      sing N N 313 
ILE CA    CB     sing N N 314 
ILE CA    HA     sing N N 315 
ILE C     O      doub N N 316 
ILE C     OXT    sing N N 317 
ILE CB    CG1    sing N N 318 
ILE CB    CG2    sing N N 319 
ILE CB    HB     sing N N 320 
ILE CG1   CD1    sing N N 321 
ILE CG1   HG12   sing N N 322 
ILE CG1   HG13   sing N N 323 
ILE CG2   HG21   sing N N 324 
ILE CG2   HG22   sing N N 325 
ILE CG2   HG23   sing N N 326 
ILE CD1   HD11   sing N N 327 
ILE CD1   HD12   sing N N 328 
ILE CD1   HD13   sing N N 329 
ILE OXT   HXT    sing N N 330 
LEU N     CA     sing N N 331 
LEU N     H      sing N N 332 
LEU N     H2     sing N N 333 
LEU CA    C      sing N N 334 
LEU CA    CB     sing N N 335 
LEU CA    HA     sing N N 336 
LEU C     O      doub N N 337 
LEU C     OXT    sing N N 338 
LEU CB    CG     sing N N 339 
LEU CB    HB2    sing N N 340 
LEU CB    HB3    sing N N 341 
LEU CG    CD1    sing N N 342 
LEU CG    CD2    sing N N 343 
LEU CG    HG     sing N N 344 
LEU CD1   HD11   sing N N 345 
LEU CD1   HD12   sing N N 346 
LEU CD1   HD13   sing N N 347 
LEU CD2   HD21   sing N N 348 
LEU CD2   HD22   sing N N 349 
LEU CD2   HD23   sing N N 350 
LEU OXT   HXT    sing N N 351 
LYS N     CA     sing N N 352 
LYS N     H      sing N N 353 
LYS N     H2     sing N N 354 
LYS CA    C      sing N N 355 
LYS CA    CB     sing N N 356 
LYS CA    HA     sing N N 357 
LYS C     O      doub N N 358 
LYS C     OXT    sing N N 359 
LYS CB    CG     sing N N 360 
LYS CB    HB2    sing N N 361 
LYS CB    HB3    sing N N 362 
LYS CG    CD     sing N N 363 
LYS CG    HG2    sing N N 364 
LYS CG    HG3    sing N N 365 
LYS CD    CE     sing N N 366 
LYS CD    HD2    sing N N 367 
LYS CD    HD3    sing N N 368 
LYS CE    NZ     sing N N 369 
LYS CE    HE2    sing N N 370 
LYS CE    HE3    sing N N 371 
LYS NZ    HZ1    sing N N 372 
LYS NZ    HZ2    sing N N 373 
LYS NZ    HZ3    sing N N 374 
LYS OXT   HXT    sing N N 375 
MET N     CA     sing N N 376 
MET N     H      sing N N 377 
MET N     H2     sing N N 378 
MET CA    C      sing N N 379 
MET CA    CB     sing N N 380 
MET CA    HA     sing N N 381 
MET C     O      doub N N 382 
MET C     OXT    sing N N 383 
MET CB    CG     sing N N 384 
MET CB    HB2    sing N N 385 
MET CB    HB3    sing N N 386 
MET CG    SD     sing N N 387 
MET CG    HG2    sing N N 388 
MET CG    HG3    sing N N 389 
MET SD    CE     sing N N 390 
MET CE    HE1    sing N N 391 
MET CE    HE2    sing N N 392 
MET CE    HE3    sing N N 393 
MET OXT   HXT    sing N N 394 
PHE N     CA     sing N N 395 
PHE N     H      sing N N 396 
PHE N     H2     sing N N 397 
PHE CA    C      sing N N 398 
PHE CA    CB     sing N N 399 
PHE CA    HA     sing N N 400 
PHE C     O      doub N N 401 
PHE C     OXT    sing N N 402 
PHE CB    CG     sing N N 403 
PHE CB    HB2    sing N N 404 
PHE CB    HB3    sing N N 405 
PHE CG    CD1    doub Y N 406 
PHE CG    CD2    sing Y N 407 
PHE CD1   CE1    sing Y N 408 
PHE CD1   HD1    sing N N 409 
PHE CD2   CE2    doub Y N 410 
PHE CD2   HD2    sing N N 411 
PHE CE1   CZ     doub Y N 412 
PHE CE1   HE1    sing N N 413 
PHE CE2   CZ     sing Y N 414 
PHE CE2   HE2    sing N N 415 
PHE CZ    HZ     sing N N 416 
PHE OXT   HXT    sing N N 417 
PRO N     CA     sing N N 418 
PRO N     CD     sing N N 419 
PRO N     H      sing N N 420 
PRO CA    C      sing N N 421 
PRO CA    CB     sing N N 422 
PRO CA    HA     sing N N 423 
PRO C     O      doub N N 424 
PRO C     OXT    sing N N 425 
PRO CB    CG     sing N N 426 
PRO CB    HB2    sing N N 427 
PRO CB    HB3    sing N N 428 
PRO CG    CD     sing N N 429 
PRO CG    HG2    sing N N 430 
PRO CG    HG3    sing N N 431 
PRO CD    HD2    sing N N 432 
PRO CD    HD3    sing N N 433 
PRO OXT   HXT    sing N N 434 
SER N     CA     sing N N 435 
SER N     H      sing N N 436 
SER N     H2     sing N N 437 
SER CA    C      sing N N 438 
SER CA    CB     sing N N 439 
SER CA    HA     sing N N 440 
SER C     O      doub N N 441 
SER C     OXT    sing N N 442 
SER CB    OG     sing N N 443 
SER CB    HB2    sing N N 444 
SER CB    HB3    sing N N 445 
SER OG    HG     sing N N 446 
SER OXT   HXT    sing N N 447 
THR N     CA     sing N N 448 
THR N     H      sing N N 449 
THR N     H2     sing N N 450 
THR CA    C      sing N N 451 
THR CA    CB     sing N N 452 
THR CA    HA     sing N N 453 
THR C     O      doub N N 454 
THR C     OXT    sing N N 455 
THR CB    OG1    sing N N 456 
THR CB    CG2    sing N N 457 
THR CB    HB     sing N N 458 
THR OG1   HG1    sing N N 459 
THR CG2   HG21   sing N N 460 
THR CG2   HG22   sing N N 461 
THR CG2   HG23   sing N N 462 
THR OXT   HXT    sing N N 463 
TRP N     CA     sing N N 464 
TRP N     H      sing N N 465 
TRP N     H2     sing N N 466 
TRP CA    C      sing N N 467 
TRP CA    CB     sing N N 468 
TRP CA    HA     sing N N 469 
TRP C     O      doub N N 470 
TRP C     OXT    sing N N 471 
TRP CB    CG     sing N N 472 
TRP CB    HB2    sing N N 473 
TRP CB    HB3    sing N N 474 
TRP CG    CD1    doub Y N 475 
TRP CG    CD2    sing Y N 476 
TRP CD1   NE1    sing Y N 477 
TRP CD1   HD1    sing N N 478 
TRP CD2   CE2    doub Y N 479 
TRP CD2   CE3    sing Y N 480 
TRP NE1   CE2    sing Y N 481 
TRP NE1   HE1    sing N N 482 
TRP CE2   CZ2    sing Y N 483 
TRP CE3   CZ3    doub Y N 484 
TRP CE3   HE3    sing N N 485 
TRP CZ2   CH2    doub Y N 486 
TRP CZ2   HZ2    sing N N 487 
TRP CZ3   CH2    sing Y N 488 
TRP CZ3   HZ3    sing N N 489 
TRP CH2   HH2    sing N N 490 
TRP OXT   HXT    sing N N 491 
TYR N     CA     sing N N 492 
TYR N     H      sing N N 493 
TYR N     H2     sing N N 494 
TYR CA    C      sing N N 495 
TYR CA    CB     sing N N 496 
TYR CA    HA     sing N N 497 
TYR C     O      doub N N 498 
TYR C     OXT    sing N N 499 
TYR CB    CG     sing N N 500 
TYR CB    HB2    sing N N 501 
TYR CB    HB3    sing N N 502 
TYR CG    CD1    doub Y N 503 
TYR CG    CD2    sing Y N 504 
TYR CD1   CE1    sing Y N 505 
TYR CD1   HD1    sing N N 506 
TYR CD2   CE2    doub Y N 507 
TYR CD2   HD2    sing N N 508 
TYR CE1   CZ     doub Y N 509 
TYR CE1   HE1    sing N N 510 
TYR CE2   CZ     sing Y N 511 
TYR CE2   HE2    sing N N 512 
TYR CZ    OH     sing N N 513 
TYR OH    HH     sing N N 514 
TYR OXT   HXT    sing N N 515 
VAL N     CA     sing N N 516 
VAL N     H      sing N N 517 
VAL N     H2     sing N N 518 
VAL CA    C      sing N N 519 
VAL CA    CB     sing N N 520 
VAL CA    HA     sing N N 521 
VAL C     O      doub N N 522 
VAL C     OXT    sing N N 523 
VAL CB    CG1    sing N N 524 
VAL CB    CG2    sing N N 525 
VAL CB    HB     sing N N 526 
VAL CG1   HG11   sing N N 527 
VAL CG1   HG12   sing N N 528 
VAL CG1   HG13   sing N N 529 
VAL CG2   HG21   sing N N 530 
VAL CG2   HG22   sing N N 531 
VAL CG2   HG23   sing N N 532 
VAL OXT   HXT    sing N N 533 
# 
loop_
_ndb_struct_conf_na.entry_id 
_ndb_struct_conf_na.feature 
9EFF 'double helix'        
9EFF '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 C DA  1  1_555 D DT  12 1_555 -0.076 -0.206 -0.001 -1.725 -21.008 4.255  1  D_DA20:DT52_E  D 20 ? E 52 ? 20 1 
1 C BRU 2  1_555 D DA  11 1_555 -0.094 -0.131 -0.002 0.114  -12.572 6.795  2  D_BRU21:DA51_E D 21 ? E 51 ? 20 1 
1 C DT  3  1_555 D DA  10 1_555 -0.118 -0.244 0.078  -0.314 -5.648  7.053  3  D_DT22:DA50_E  D 22 ? E 50 ? 20 1 
1 C DA  4  1_555 D BRU 9  1_555 0.045  -0.246 0.148  -7.148 -5.448  -0.219 4  D_DA23:BRU49_E D 23 ? E 49 ? 20 1 
1 C BRU 5  1_555 D DA  8  1_555 -0.032 -0.171 0.184  9.213  -6.813  6.753  5  D_BRU24:DA48_E D 24 ? E 48 ? 20 1 
1 C DA  6  1_555 D DT  7  1_555 -0.061 -0.215 -0.125 5.067  -6.677  3.886  6  D_DA25:DT47_E  D 25 ? E 47 ? 20 1 
1 C DC  7  1_555 D DG  6  1_555 0.271  -0.150 0.064  3.228  -12.638 -3.209 7  D_DC26:DG46_E  D 26 ? E 46 ? 19 1 
1 C DA  8  1_555 D DT  5  1_555 -0.189 -0.255 0.079  5.267  -9.810  4.847  8  D_DA27:DT45_E  D 27 ? E 45 ? 20 1 
1 C DA  9  1_555 D DT  4  1_555 0.223  -0.139 0.079  16.003 -14.094 0.663  9  D_DA28:DT44_E  D 28 ? E 44 ? 20 1 
1 C DA  10 1_555 D DT  3  1_555 0.138  -0.228 0.437  12.331 -19.646 5.403  10 D_DA29:DT43_E  D 29 ? E 43 ? 20 1 
1 C DA  11 1_555 D BRU 2  1_555 0.124  -0.218 0.515  7.916  -17.425 5.300  11 D_DA30:BRU42_E D 30 ? E 42 ? 20 1 
1 C DG  12 1_555 D DC  1  1_555 -0.192 -0.263 0.068  1.843  -12.879 -0.021 12 D_DG31:DC41_E  D 31 ? E 41 ? 19 1 
1 E DA  1  1_555 F DT  12 1_555 0.193  -0.062 0.017  -5.338 -21.060 8.605  13 C_DA20:DT52_F  C 20 ? F 52 ? 20 1 
1 E BRU 2  1_555 F DA  11 1_555 -0.204 -0.198 0.295  -2.970 -10.289 6.537  14 C_BRU21:DA51_F C 21 ? F 51 ? 20 1 
1 E DT  3  1_555 F DA  10 1_555 -0.077 -0.342 0.099  -1.205 -7.788  6.643  15 C_DT22:DA50_F  C 22 ? F 50 ? 20 1 
1 E DA  4  1_555 F BRU 9  1_555 -0.037 -0.304 0.297  -7.968 -3.865  1.252  16 C_DA23:BRU49_F C 23 ? F 49 ? 20 1 
1 E BRU 5  1_555 F DA  8  1_555 -0.231 -0.146 0.423  8.753  -6.148  7.143  17 C_BRU24:DA48_F C 24 ? F 48 ? 20 1 
1 E DA  6  1_555 F DT  7  1_555 0.003  -0.236 0.227  14.902 -12.255 1.983  18 C_DA25:DT47_F  C 25 ? F 47 ? 20 1 
1 E DC  7  1_555 F DG  6  1_555 0.435  -0.288 0.163  4.668  -16.889 1.140  19 C_DC26:DG46_F  C 26 ? F 46 ? 19 1 
1 E DA  8  1_555 F DT  5  1_555 -0.107 -0.297 0.148  6.038  -9.611  5.865  20 C_DA27:DT45_F  C 27 ? F 45 ? 20 1 
1 E DA  9  1_555 F DT  4  1_555 0.248  -0.110 0.179  10.823 -14.051 3.516  21 C_DA28:DT44_F  C 28 ? F 44 ? 20 1 
1 E DA  10 1_555 F DT  3  1_555 0.122  -0.129 0.362  11.651 -16.811 3.912  22 C_DA29:DT43_F  C 29 ? F 43 ? 20 1 
1 E DA  11 1_555 F BRU 2  1_555 0.141  -0.164 0.500  8.974  -15.596 5.999  23 C_DA30:BRU42_F C 30 ? F 42 ? 20 1 
1 E DG  12 1_555 F DC  1  1_555 -0.169 -0.211 -0.089 1.439  -13.404 1.068  24 C_DG31:DC41_F  C 31 ? F 41 ? 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 C DA  1  1_555 D DT  12 1_555 C BRU 2  1_555 D DA  11 1_555 -0.189 -0.825 3.195 2.152  6.444  34.908 -2.249 0.609  2.984 10.617 
-3.546 35.543 1  DD_DA20BRU21:DA51DT52_EE  D 20 ? E 52 ? D 21 ? E 51 ? 
1 C BRU 2  1_555 D DA  11 1_555 C DT  3  1_555 D DA  10 1_555 0.175  -0.604 3.287 0.301  -3.665 33.235 -0.435 -0.253 3.334 -6.383 
-0.524 33.432 2  DD_BRU21DT22:DA50DA51_EE  D 21 ? E 51 ? D 22 ? E 50 ? 
1 C DT  3  1_555 D DA  10 1_555 C DA  4  1_555 D BRU 9  1_555 -0.195 -0.578 3.361 1.449  -2.078 40.732 -0.592 0.445  3.377 -2.983 
-2.080 40.807 3  DD_DT22DA23:BRU49DA50_EE  D 22 ? E 50 ? D 23 ? E 49 ? 
1 C DA  4  1_555 D BRU 9  1_555 C BRU 5  1_555 D DA  8  1_555 0.686  -0.789 2.941 -1.779 -2.292 30.553 -1.083 -1.612 2.948 -4.338 
3.366  30.687 4  DD_DA23BRU24:DA48BRU49_EE D 23 ? E 49 ? D 24 ? E 48 ? 
1 C BRU 5  1_555 D DA  8  1_555 C DA  6  1_555 D DT  7  1_555 -0.419 -1.103 3.166 -0.081 10.328 26.471 -4.408 0.837  2.564 21.540 
0.169  28.381 5  DD_BRU24DA25:DT47DA48_EE  D 24 ? E 48 ? D 25 ? E 47 ? 
1 C DA  6  1_555 D DT  7  1_555 C DC  7  1_555 D DG  6  1_555 0.636  -1.833 3.300 -2.551 1.097  28.629 -3.933 -1.847 3.162 2.211  
5.143  28.761 6  DD_DA25DC26:DG46DT47_EE   D 25 ? E 47 ? D 26 ? E 46 ? 
1 C DC  7  1_555 D DG  6  1_555 C DA  8  1_555 D DT  5  1_555 -0.644 -0.910 3.073 0.519  13.692 30.058 -3.660 1.212  2.429 24.841 
-0.942 32.968 7  DD_DC26DA27:DT45DG46_EE   D 26 ? E 46 ? D 27 ? E 45 ? 
1 C DA  8  1_555 D DT  5  1_555 C DA  9  1_555 D DT  4  1_555 -0.688 -0.231 3.077 1.334  -0.475 33.421 -0.327 1.402  3.051 -0.826 
-2.319 33.451 8  DD_DA27DA28:DT44DT45_EE   D 27 ? E 45 ? D 28 ? E 44 ? 
1 C DA  9  1_555 D DT  4  1_555 C DA  10 1_555 D DT  3  1_555 0.035  -0.004 3.254 -2.197 -4.803 41.176 0.502  -0.282 3.228 -6.796 
3.108  41.499 9  DD_DA28DA29:DT43DT44_EE   D 28 ? E 44 ? D 29 ? E 43 ? 
1 C DA  10 1_555 D DT  3  1_555 C DA  11 1_555 D BRU 2  1_555 0.283  -0.371 3.219 -1.104 -2.203 35.987 -0.292 -0.612 3.226 -3.560 
1.785  36.069 10 DD_DA29DA30:BRU42DT43_EE  D 29 ? E 43 ? D 30 ? E 42 ? 
1 C DA  11 1_555 D BRU 2  1_555 C DG  12 1_555 D DC  1  1_555 -0.077 -0.765 3.387 -1.844 2.160  34.912 -1.606 -0.157 3.335 3.592  
3.067  35.024 11 DD_DA30DG31:DC41BRU42_EE  D 30 ? E 42 ? D 31 ? E 41 ? 
1 E DA  1  1_555 F DT  12 1_555 E BRU 2  1_555 F DA  11 1_555 -0.300 -0.915 3.252 0.468  6.208  32.071 -2.669 0.612  3.022 11.106 
-0.838 32.654 12 CC_DA20BRU21:DA51DT52_FF  C 20 ? F 52 ? C 21 ? F 51 ? 
1 E BRU 2  1_555 F DA  11 1_555 E DT  3  1_555 F DA  10 1_555 0.073  -0.661 3.153 3.239  -3.468 34.067 -0.590 0.370  3.196 -5.883 
-5.496 34.387 13 CC_BRU21DT22:DA50DA51_FF  C 21 ? F 51 ? C 22 ? F 50 ? 
1 E DT  3  1_555 F DA  10 1_555 E DA  4  1_555 F BRU 9  1_555 -0.082 -0.469 3.361 0.500  -2.587 40.536 -0.379 0.176  3.382 -3.730 
-0.721 40.618 14 CC_DT22DA23:BRU49DA50_FF  C 22 ? F 50 ? C 23 ? F 49 ? 
1 E DA  4  1_555 F BRU 9  1_555 E BRU 5  1_555 F DA  8  1_555 0.833  -0.852 2.949 -2.444 -1.509 30.749 -1.337 -1.990 2.913 -2.837 
4.597  30.880 15 CC_DA23BRU24:DA48BRU49_FF C 23 ? F 49 ? C 24 ? F 48 ? 
1 E BRU 5  1_555 F DA  8  1_555 E DA  6  1_555 F DT  7  1_555 -0.706 -1.240 2.793 -2.432 10.615 26.951 -4.330 0.984  2.210 21.686 
4.967  29.030 16 CC_BRU24DA25:DT47DA48_FF  C 24 ? F 48 ? C 25 ? F 47 ? 
1 E DA  6  1_555 F DT  7  1_555 E DC  7  1_555 F DG  6  1_555 0.664  -1.900 3.477 -0.563 -1.003 33.645 -3.106 -1.245 3.519 -1.732 
0.972  33.664 17 CC_DA25DC26:DG46DT47_FF   C 25 ? F 47 ? C 26 ? F 46 ? 
1 E DC  7  1_555 F DG  6  1_555 E DA  8  1_555 F DT  5  1_555 -0.681 -0.884 3.068 1.385  12.020 25.194 -4.340 1.702  2.367 25.747 
-2.966 27.906 18 CC_DC26DA27:DT45DG46_FF   C 26 ? F 46 ? C 27 ? F 45 ? 
1 E DA  8  1_555 F DT  5  1_555 E DA  9  1_555 F DT  4  1_555 -0.501 -0.237 3.157 -1.268 0.147  33.321 -0.437 0.670  3.173 0.256  
2.210  33.345 19 CC_DA27DA28:DT44DT45_FF   C 27 ? F 45 ? C 28 ? F 44 ? 
1 E DA  9  1_555 F DT  4  1_555 E DA  10 1_555 F DT  3  1_555 -0.249 -0.085 3.164 -1.900 -4.359 40.214 0.351  0.154  3.164 -6.313 
2.751  40.483 20 CC_DA28DA29:DT43DT44_FF   C 28 ? F 44 ? C 29 ? F 43 ? 
1 E DA  10 1_555 F DT  3  1_555 E DA  11 1_555 F BRU 2  1_555 0.190  -0.463 3.204 -1.403 -4.592 36.830 -0.122 -0.483 3.227 -7.230 
2.208  37.131 21 CC_DA29DA30:BRU42DT43_FF  C 29 ? F 43 ? C 30 ? F 42 ? 
1 E DA  11 1_555 F BRU 2  1_555 E DG  12 1_555 F DC  1  1_555 -0.146 -0.763 3.469 -0.424 2.326  35.091 -1.628 0.175  3.415 3.852  
0.703  35.168 22 CC_DA30DG31:DC41BRU42_FF  C 30 ? F 42 ? C 31 ? F 41 ? 
# 
loop_
_pdbx_audit_support.funding_organization 
_pdbx_audit_support.country 
_pdbx_audit_support.grant_number 
_pdbx_audit_support.ordinal 
'National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)' 'United States'  R01GM135178   1 
'National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)' 'United States'  R35GM152171   2 
'Wellcome Trust'                                                                           'United Kingdom' 086045/Z/08/Z 3 
# 
_space_group.name_H-M_alt     'P 1 21 1' 
_space_group.name_Hall        'P 2yb' 
_space_group.IT_number        4 
_space_group.crystal_system   monoclinic 
_space_group.id               1 
# 
_atom_sites.entry_id                    9EFF 
_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]   0.026496 
_atom_sites.fract_transf_matrix[1][2]   0.000000 
_atom_sites.fract_transf_matrix[1][3]   0.009185 
_atom_sites.fract_transf_matrix[2][1]   0.000000 
_atom_sites.fract_transf_matrix[2][2]   0.007350 
_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]   0.027577 
_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 
_atom_type.scat_dispersion_real 
_atom_type.scat_dispersion_imag 
_atom_type.scat_Cromer_Mann_a1 
_atom_type.scat_Cromer_Mann_a2 
_atom_type.scat_Cromer_Mann_a3 
_atom_type.scat_Cromer_Mann_a4 
_atom_type.scat_Cromer_Mann_b1 
_atom_type.scat_Cromer_Mann_b2 
_atom_type.scat_Cromer_Mann_b3 
_atom_type.scat_Cromer_Mann_b4 
_atom_type.scat_Cromer_Mann_c 
_atom_type.scat_source 
_atom_type.scat_dispersion_source 
BR ? ? 25.79822 9.11301 ? ? 1.35700  25.34896 ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
C  ? ? 3.54356  2.42580 ? ? 25.62398 1.50364  ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
N  ? ? 4.01032  2.96436 ? ? 19.97189 1.75589  ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
O  ? ? 4.49882  3.47563 ? ? 15.80542 1.70748  ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
P  ? ? 9.51135  5.44231 ? ? 1.42069  35.72801 ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
S  ? ? 9.55732  6.39887 ? ? 1.23737  29.19336 ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
# 
loop_
_atom_site.group_PDB 
_atom_site.id 
_atom_site.type_symbol 
_atom_site.label_atom_id 
_atom_site.label_alt_id 
_atom_site.label_comp_id 
_atom_site.label_asym_id 
_atom_site.label_entity_id 
_atom_site.label_seq_id 
_atom_site.pdbx_PDB_ins_code 
_atom_site.Cartn_x 
_atom_site.Cartn_y 
_atom_site.Cartn_z 
_atom_site.occupancy 
_atom_site.B_iso_or_equiv 
_atom_site.pdbx_formal_charge 
_atom_site.auth_seq_id 
_atom_site.auth_comp_id 
_atom_site.auth_asym_id 
_atom_site.auth_atom_id 
_atom_site.pdbx_PDB_model_num 
ATOM   1    N  N     . MET A 1 4   ? 0.20947   21.15942  -6.95189  1.000 62.07010 ? 4   MET A N     1 
ATOM   2    C  CA    . MET A 1 4   ? -0.63400  20.26288  -6.16873  1.000 61.50865 ? 4   MET A CA    1 
ATOM   3    C  C     . MET A 1 4   ? -0.28989  20.34478  -4.68479  1.000 57.59415 ? 4   MET A C     1 
ATOM   4    O  O     . MET A 1 4   ? -1.09803  19.95765  -3.83291  1.000 55.94650 ? 4   MET A O     1 
ATOM   5    C  CB    . MET A 1 4   ? -0.52324  18.82260  -6.71247  1.000 60.77258 ? 4   MET A CB    1 
ATOM   6    C  CG    . MET A 1 4   ? 0.90059   18.27805  -6.91383  1.000 65.25173 ? 4   MET A CG    1 
ATOM   7    S  SD    . MET A 1 4   ? 1.02378   16.46535  -6.99985  1.000 79.29120 ? 4   MET A SD    1 
ATOM   8    C  CE    . MET A 1 4   ? 1.80143   16.01054  -5.45834  1.000 52.94610 ? 4   MET A CE    1 
ATOM   9    N  N     . ARG A 1 5   ? 0.88752   20.88970  -4.36773  1.000 51.40881 ? 5   ARG A N     1 
ATOM   10   C  CA    . ARG A 1 5   ? 1.40261   20.84395  -3.00620  1.000 57.35389 ? 5   ARG A CA    1 
ATOM   11   C  C     . ARG A 1 5   ? 1.80208   22.21235  -2.47202  1.000 48.33472 ? 5   ARG A C     1 
ATOM   12   O  O     . ARG A 1 5   ? 2.26215   23.09875  -3.20160  1.000 51.21321 ? 5   ARG A O     1 
ATOM   13   C  CB    . ARG A 1 5   ? 2.56949   19.85132  -2.86864  1.000 58.05164 ? 5   ARG A CB    1 
ATOM   14   C  CG    . ARG A 1 5   ? 2.05162   18.42428  -2.83066  1.000 52.55074 ? 5   ARG A CG    1 
ATOM   15   C  CD    . ARG A 1 5   ? 2.56782   17.65677  -1.62741  1.000 56.90861 ? 5   ARG A CD    1 
ATOM   16   N  NE    . ARG A 1 5   ? 4.01681   17.67635  -1.48427  1.000 56.95630 ? 5   ARG A NE    1 
ATOM   17   C  CZ    . ARG A 1 5   ? 4.76616   16.58132  -1.49162  1.000 55.51418 ? 5   ARG A CZ    1 
ATOM   18   N  NH1   . ARG A 1 5   ? 4.22288   15.37407  -1.53961  1.000 42.83062 ? 5   ARG A NH1   1 
ATOM   19   N  NH2   . ARG A 1 5   ? 6.09086   16.69727  -1.42440  1.000 54.45803 ? 5   ARG A NH2   1 
ATOM   20   N  N     . VAL A 1 6   ? 1.58481   22.34419  -1.16607  1.000 49.99917 ? 6   VAL A N     1 
ATOM   21   C  CA    . VAL A 1 6   ? 1.33567   23.58596  -0.44637  1.000 54.80259 ? 6   VAL A CA    1 
ATOM   22   C  C     . VAL A 1 6   ? 2.17501   23.53575  0.81707   1.000 43.39085 ? 6   VAL A C     1 
ATOM   23   O  O     . VAL A 1 6   ? 2.11939   22.55269  1.56056   1.000 39.82252 ? 6   VAL A O     1 
ATOM   24   C  CB    . VAL A 1 6   ? -0.15666  23.75910  -0.07431  1.000 63.05108 ? 6   VAL A CB    1 
ATOM   25   C  CG1   . VAL A 1 6   ? -0.49142  25.17706  0.18484   1.000 53.41798 ? 6   VAL A CG1   1 
ATOM   26   C  CG2   . VAL A 1 6   ? -1.06414  23.26387  -1.17378  1.000 61.20603 ? 6   VAL A CG2   1 
ATOM   27   N  N     . LYS A 1 7   ? 2.95250   24.58233  1.06592   1.000 47.00340 ? 7   LYS A N     1 
ATOM   28   C  CA    . LYS A 1 7   ? 3.73264   24.67977  2.29363   1.000 43.93280 ? 7   LYS A CA    1 
ATOM   29   C  C     . LYS A 1 7   ? 3.13057   25.76141  3.17818   1.000 44.76051 ? 7   LYS A C     1 
ATOM   30   O  O     . LYS A 1 7   ? 2.91272   26.88716  2.72561   1.000 47.90536 ? 7   LYS A O     1 
ATOM   31   C  CB    . LYS A 1 7   ? 5.20846   24.96863  2.00286   1.000 47.30498 ? 7   LYS A CB    1 
ATOM   32   C  CG    . LYS A 1 7   ? 6.10657   24.80528  3.18571   1.000 45.94440 ? 7   LYS A CG    1 
ATOM   33   C  CD    . LYS A 1 7   ? 7.57700   24.91978  2.81841   1.000 52.90398 ? 7   LYS A CD    1 
ATOM   34   C  CE    . LYS A 1 7   ? 8.17363   23.57864  2.43456   1.000 52.87597 ? 7   LYS A CE    1 
ATOM   35   N  NZ    . LYS A 1 7   ? 9.19877   23.72706  1.37268   1.000 59.78947 ? 7   LYS A NZ    1 
ATOM   36   N  N     . VAL A 1 8   ? 2.81674   25.40332  4.41791   1.000 42.45455 ? 8   VAL A N     1 
ATOM   37   C  CA    . VAL A 1 8   ? 1.90574   26.17209  5.25626   1.000 46.12468 ? 8   VAL A CA    1 
ATOM   38   C  C     . VAL A 1 8   ? 2.52892   26.26801  6.64416   1.000 43.88910 ? 8   VAL A C     1 
ATOM   39   O  O     . VAL A 1 8   ? 3.20196   25.33836  7.10188   1.000 41.14717 ? 8   VAL A O     1 
ATOM   40   C  CB    . VAL A 1 8   ? 0.48625   25.54390  5.27229   1.000 40.84492 ? 8   VAL A CB    1 
ATOM   41   C  CG1   . VAL A 1 8   ? 0.49649   24.14272  5.85386   1.000 39.46371 ? 8   VAL A CG1   1 
ATOM   42   C  CG2   . VAL A 1 8   ? -0.49401  26.41742  6.01310   1.000 45.33058 ? 8   VAL A CG2   1 
ATOM   43   N  N     . ASN A 1 9   ? 2.36697   27.42137  7.28158   1.000 46.10792 ? 9   ASN A N     1 
ATOM   44   C  CA    . ASN A 1 9   ? 3.07235   27.71066  8.51511   1.000 47.59420 ? 9   ASN A CA    1 
ATOM   45   C  C     . ASN A 1 9   ? 2.45075   26.95600  9.68435   1.000 45.07316 ? 9   ASN A C     1 
ATOM   46   O  O     . ASN A 1 9   ? 1.29989   26.51180  9.63578   1.000 42.99449 ? 9   ASN A O     1 
ATOM   47   C  CB    . ASN A 1 9   ? 3.06610   29.21272  8.79037   1.000 57.29307 ? 9   ASN A CB    1 
ATOM   48   C  CG    . ASN A 1 9   ? 1.73588   29.70261  9.32334   1.000 65.65276 ? 9   ASN A CG    1 
ATOM   49   O  OD1   . ASN A 1 9   ? 0.76245   29.80804  8.57869   1.000 68.38659 ? 9   ASN A OD1   1 
ATOM   50   N  ND2   . ASN A 1 9   ? 1.68896   30.01476  10.61434  1.000 66.55352 ? 9   ASN A ND2   1 
ATOM   51   N  N     . GLU A 1 10  ? 3.24824   26.81314  10.74566  1.000 56.79232 ? 10  GLU A N     1 
ATOM   52   C  CA    . GLU A 1 10  ? 3.02648   25.75678  11.72865  1.000 46.78719 ? 10  GLU A CA    1 
ATOM   53   C  C     . GLU A 1 10  ? 1.80428   26.03893  12.58923  1.000 46.83720 ? 10  GLU A C     1 
ATOM   54   O  O     . GLU A 1 10  ? 0.95965   25.15718  12.77495  1.000 49.03827 ? 10  GLU A O     1 
ATOM   55   C  CB    . GLU A 1 10  ? 4.26470   25.60636  12.60776  1.000 51.58880 ? 10  GLU A CB    1 
ATOM   56   C  CG    . GLU A 1 10  ? 4.15155   24.56955  13.70479  1.000 57.33760 ? 10  GLU A CG    1 
ATOM   57   C  CD    . GLU A 1 10  ? 5.40681   24.51558  14.55187  1.000 61.59484 ? 10  GLU A CD    1 
ATOM   58   O  OE1   . GLU A 1 10  ? 6.06360   23.45417  14.59059  1.000 67.84242 ? 10  GLU A OE1   1 
ATOM   59   O  OE2   . GLU A 1 10  ? 5.75071   25.54945  15.16212  1.000 63.36420 ? 10  GLU A OE2   1 
ATOM   60   N  N     . LYS A 1 11  ? 1.68902   27.26716  13.10739  1.000 48.31017 ? 11  LYS A N     1 
ATOM   61   C  CA    . LYS A 1 11  ? 0.63905   27.58074  14.07468  1.000 59.37679 ? 11  LYS A CA    1 
ATOM   62   C  C     . LYS A 1 11  ? -0.73877  27.49215  13.43849  1.000 54.02635 ? 11  LYS A C     1 
ATOM   63   O  O     . LYS A 1 11  ? -1.68138  26.97243  14.04761  1.000 59.27731 ? 11  LYS A O     1 
ATOM   64   C  CB    . LYS A 1 11  ? 0.86146   28.97407  14.65961  1.000 55.41131 ? 11  LYS A CB    1 
ATOM   65   N  N     . GLN A 1 12  ? -0.84843  27.95147  12.19440  1.000 48.00784 ? 12  GLN A N     1 
ATOM   66   C  CA    . GLN A 1 12  ? -2.07849  27.88325  11.41919  1.000 47.10716 ? 12  GLN A CA    1 
ATOM   67   C  C     . GLN A 1 12  ? -2.50061  26.46127  11.06687  1.000 49.98390 ? 12  GLN A C     1 
ATOM   68   O  O     . GLN A 1 12  ? -3.66691  26.09968  11.25471  1.000 50.05872 ? 12  GLN A O     1 
ATOM   69   C  CB    . GLN A 1 12  ? -1.91201  28.70266  10.15158  1.000 61.15733 ? 12  GLN A CB    1 
ATOM   70   C  CG    . GLN A 1 12  ? -3.09580  28.57984  9.27062   1.000 64.18276 ? 12  GLN A CG    1 
ATOM   71   C  CD    . GLN A 1 12  ? -2.69065  28.70225  7.84318   1.000 71.20908 ? 12  GLN A CD    1 
ATOM   72   O  OE1   . GLN A 1 12  ? -3.50136  28.53061  6.94792   1.000 68.90244 ? 12  GLN A OE1   1 
ATOM   73   N  NE2   . GLN A 1 12  ? -1.43425  29.10638  7.61799   1.000 71.53134 ? 12  GLN A NE2   1 
ATOM   74   N  N     . PHE A 1 13  ? -1.59780  25.64563  10.51863  1.000 39.97367 ? 13  PHE A N     1 
ATOM   75   C  CA    . PHE A 1 13  ? -2.03808  24.30825  10.13252  1.000 41.11049 ? 13  PHE A CA    1 
ATOM   76   C  C     . PHE A 1 13  ? -2.23534  23.40471  11.33773  1.000 33.34571 ? 13  PHE A C     1 
ATOM   77   O  O     . PHE A 1 13  ? -2.99152  22.43014  11.25448  1.000 34.72349 ? 13  PHE A O     1 
ATOM   78   C  CB    . PHE A 1 13  ? -1.07258  23.65235  9.15010   1.000 38.21976 ? 13  PHE A CB    1 
ATOM   79   C  CG    . PHE A 1 13  ? -1.64688  22.42194  8.49167   1.000 34.15661 ? 13  PHE A CG    1 
ATOM   80   C  CD1   . PHE A 1 13  ? -2.75421  22.51021  7.65929   1.000 34.83189 ? 13  PHE A CD1   1 
ATOM   81   C  CD2   . PHE A 1 13  ? -1.10810  21.16780  8.74903   1.000 35.38496 ? 13  PHE A CD2   1 
ATOM   82   C  CE1   . PHE A 1 13  ? -3.29651  21.37216  7.07682   1.000 38.53789 ? 13  PHE A CE1   1 
ATOM   83   C  CE2   . PHE A 1 13  ? -1.64032  20.03175  8.16581   1.000 31.62257 ? 13  PHE A CE2   1 
ATOM   84   C  CZ    . PHE A 1 13  ? -2.74586  20.13302  7.34081   1.000 36.65225 ? 13  PHE A CZ    1 
ATOM   85   N  N     . ASP A 1 14  ? -1.57393  23.71009  12.45768  1.000 43.13932 ? 14  ASP A N     1 
ATOM   86   C  CA    . ASP A 1 14  ? -1.88098  23.03271  13.71477  1.000 41.12331 ? 14  ASP A CA    1 
ATOM   87   C  C     . ASP A 1 14  ? -3.34067  23.20462  14.11111  1.000 37.77307 ? 14  ASP A C     1 
ATOM   88   O  O     . ASP A 1 14  ? -3.93204  22.28644  14.68356  1.000 43.26195 ? 14  ASP A O     1 
ATOM   89   C  CB    . ASP A 1 14  ? -0.97660  23.55157  14.83108  1.000 43.81340 ? 14  ASP A CB    1 
ATOM   90   C  CG    . ASP A 1 14  ? 0.40257   22.91906  14.80639  1.000 41.15937 ? 14  ASP A CG    1 
ATOM   91   O  OD1   . ASP A 1 14  ? 0.52318   21.76365  14.34967  1.000 51.61174 ? 14  ASP A OD1   1 
ATOM   92   O  OD2   . ASP A 1 14  ? 1.36788   23.57649  15.24887  1.000 48.11152 ? 14  ASP A OD2   1 
ATOM   93   N  N     . MET A 1 15  ? -3.93902  24.35871  13.80052  1.000 39.61245 ? 15  MET A N     1 
ATOM   94   C  CA    . MET A 1 15  ? -5.36643  24.55073  14.04260  1.000 43.77755 ? 15  MET A CA    1 
ATOM   95   C  C     . MET A 1 15  ? -6.20344  23.54988  13.25664  1.000 48.15995 ? 15  MET A C     1 
ATOM   96   O  O     . MET A 1 15  ? -7.16629  22.98183  13.78826  1.000 41.88404 ? 15  MET A O     1 
ATOM   97   C  CB    . MET A 1 15  ? -5.76983  25.97351  13.67098  1.000 43.37104 ? 15  MET A CB    1 
ATOM   98   C  CG    . MET A 1 15  ? -5.00674  27.05561  14.40816  1.000 57.62725 ? 15  MET A CG    1 
ATOM   99   S  SD    . MET A 1 15  ? -5.89775  28.62279  14.50955  1.000 73.12276 ? 15  MET A SD    1 
ATOM   100  C  CE    . MET A 1 15  ? -7.58579  28.13436  14.14700  1.000 55.19192 ? 15  MET A CE    1 
ATOM   101  N  N     . ILE A 1 16  ? -5.84358  23.31694  11.99134  1.000 40.48583 ? 16  ILE A N     1 
ATOM   102  C  CA    . ILE A 1 16  ? -6.51990  22.30270  11.18988  1.000 37.48807 ? 16  ILE A CA    1 
ATOM   103  C  C     . ILE A 1 16  ? -6.23345  20.90561  11.73296  1.000 37.74763 ? 16  ILE A C     1 
ATOM   104  O  O     . ILE A 1 16  ? -7.13603  20.06297  11.81180  1.000 37.18661 ? 16  ILE A O     1 
ATOM   105  C  CB    . ILE A 1 16  ? -6.11338  22.44519  9.71011   1.000 38.74028 ? 16  ILE A CB    1 
ATOM   106  C  CG1   . ILE A 1 16  ? -6.67727  23.74247  9.13251   1.000 41.71926 ? 16  ILE A CG1   1 
ATOM   107  C  CG2   . ILE A 1 16  ? -6.60456  21.26368  8.88140   1.000 34.67763 ? 16  ILE A CG2   1 
ATOM   108  C  CD1   . ILE A 1 16  ? -5.81387  24.35630  8.05787   1.000 39.09020 ? 16  ILE A CD1   1 
ATOM   109  N  N     . ILE A 1 17  ? -4.98144  20.64174  12.12486  1.000 34.45235 ? 17  ILE A N     1 
ATOM   110  C  CA    . ILE A 1 17  ? -4.60216  19.31438  12.61211  1.000 35.39167 ? 17  ILE A CA    1 
ATOM   111  C  C     . ILE A 1 17  ? -5.33070  18.99327  13.91082  1.000 35.79550 ? 17  ILE A C     1 
ATOM   112  O  O     . ILE A 1 17  ? -5.88779  17.90075  14.07479  1.000 33.29255 ? 17  ILE A O     1 
ATOM   113  C  CB    . ILE A 1 17  ? -3.07615  19.22411  12.79113  1.000 39.91640 ? 17  ILE A CB    1 
ATOM   114  C  CG1   . ILE A 1 17  ? -2.39916  19.06790  11.43638  1.000 32.96329 ? 17  ILE A CG1   1 
ATOM   115  C  CG2   . ILE A 1 17  ? -2.69807  18.04381  13.68861  1.000 33.58738 ? 17  ILE A CG2   1 
ATOM   116  C  CD1   . ILE A 1 17  ? -0.93086  18.80094  11.52985  1.000 34.94965 ? 17  ILE A CD1   1 
ATOM   117  N  N     . ASP A 1 18  ? -5.34985  19.94952  14.84649  1.000 32.52500 ? 18  ASP A N     1 
ATOM   118  C  CA    . ASP A 1 18  ? -6.01052  19.71942  16.12703  1.000 29.38425 ? 18  ASP A CA    1 
ATOM   119  C  C     . ASP A 1 18  ? -7.51274  19.52467  15.96902  1.000 32.61976 ? 18  ASP A C     1 
ATOM   120  O  O     . ASP A 1 18  ? -8.12026  18.78564  16.75294  1.000 33.99670 ? 18  ASP A O     1 
ATOM   121  C  CB    . ASP A 1 18  ? -5.73053  20.87302  17.09180  1.000 35.02775 ? 18  ASP A CB    1 
ATOM   122  C  CG    . ASP A 1 18  ? -4.25122  21.05625  17.37124  1.000 42.00952 ? 18  ASP A CG    1 
ATOM   123  O  OD1   . ASP A 1 18  ? -3.47939  20.09275  17.17374  1.000 35.11391 ? 18  ASP A OD1   1 
ATOM   124  O  OD2   . ASP A 1 18  ? -3.85999  22.17249  17.77553  1.000 44.32765 ? 18  ASP A OD2   1 
ATOM   125  N  N     . LYS A 1 19  ? -8.12706  20.17644  14.97434  1.000 32.47484 ? 19  LYS A N     1 
ATOM   126  C  CA    . LYS A 1 19  ? -9.54064  19.93800  14.69224  1.000 34.38236 ? 19  LYS A CA    1 
ATOM   127  C  C     . LYS A 1 19  ? -9.76528  18.49465  14.26570  1.000 28.56298 ? 19  LYS A C     1 
ATOM   128  O  O     . LYS A 1 19  ? -10.69508 17.82787  14.73699  1.000 32.28789 ? 19  LYS A O     1 
ATOM   129  C  CB    . LYS A 1 19  ? -10.03245 20.88278  13.59506  1.000 41.64783 ? 19  LYS A CB    1 
ATOM   130  C  CG    . LYS A 1 19  ? -11.34487 20.42710  12.95657  1.000 48.11698 ? 19  LYS A CG    1 
ATOM   131  C  CD    . LYS A 1 19  ? -11.61982 21.06296  11.59866  1.000 60.72882 ? 19  LYS A CD    1 
ATOM   132  C  CE    . LYS A 1 19  ? -10.38233 21.01842  10.70318  1.000 51.22148 ? 19  LYS A CE    1 
ATOM   133  N  NZ    . LYS A 1 19  ? -10.74608 20.76498  9.27944   1.000 53.24893 ? 19  LYS A NZ    1 
ATOM   134  N  N     . LEU A 1 20  ? -8.90467  17.99795  13.37465  1.000 26.52840 ? 20  LEU A N     1 
ATOM   135  C  CA    . LEU A 1 20  ? -9.03629  16.64120  12.85771  1.000 25.25559 ? 20  LEU A CA    1 
ATOM   136  C  C     . LEU A 1 20  ? -8.76997  15.61113  13.94565  1.000 30.13452 ? 20  LEU A C     1 
ATOM   137  O  O     . LEU A 1 20  ? -9.50101  14.62078  14.06684  1.000 29.70073 ? 20  LEU A O     1 
ATOM   138  C  CB    . LEU A 1 20  ? -8.07829  16.44476  11.68460  1.000 23.59401 ? 20  LEU A CB    1 
ATOM   139  C  CG    . LEU A 1 20  ? -8.35229  17.32664  10.46444  1.000 29.90077 ? 20  LEU A CG    1 
ATOM   140  C  CD1   . LEU A 1 20  ? -7.30684  17.08996  9.37673   1.000 23.53417 ? 20  LEU A CD1   1 
ATOM   141  C  CD2   . LEU A 1 20  ? -9.76178  17.09270  9.93497   1.000 31.94555 ? 20  LEU A CD2   1 
ATOM   142  N  N     . LYS A 1 21  ? -7.72617  15.83631  14.75195  1.000 23.42325 ? 21  LYS A N     1 
ATOM   143  C  CA    . LYS A 1 21  ? -7.43220  14.93881  15.86492  1.000 24.05471 ? 21  LYS A CA    1 
ATOM   144  C  C     . LYS A 1 21  ? -8.56120  14.92791  16.88286  1.000 31.93019 ? 21  LYS A C     1 
ATOM   145  O  O     . LYS A 1 21  ? -8.84361  13.88800  17.48936  1.000 27.07820 ? 21  LYS A O     1 
ATOM   146  C  CB    . LYS A 1 21  ? -6.13194  15.34554  16.54819  1.000 24.62477 ? 21  LYS A CB    1 
ATOM   147  C  CG    . LYS A 1 21  ? -4.89931  15.24139  15.69139  1.000 25.73571 ? 21  LYS A CG    1 
ATOM   148  C  CD    . LYS A 1 21  ? -3.68794  15.14447  16.58279  1.000 21.74912 ? 21  LYS A CD    1 
ATOM   149  C  CE    . LYS A 1 21  ? -3.40208  16.45181  17.28059  1.000 24.26552 ? 21  LYS A CE    1 
ATOM   150  N  NZ    . LYS A 1 21  ? -2.18574  16.35140  18.12873  1.000 29.44889 ? 21  LYS A NZ    1 
ATOM   151  N  N     . LEU A 1 22  ? -9.21062  16.08035  17.08376  1.000 26.47494 ? 22  LEU A N     1 
ATOM   152  C  CA    . LEU A 1 22  ? -10.33992 16.16070  18.00410  1.000 30.05704 ? 22  LEU A CA    1 
ATOM   153  C  C     . LEU A 1 22  ? -11.46704 15.22894  17.58215  1.000 24.52055 ? 22  LEU A C     1 
ATOM   154  O  O     . LEU A 1 22  ? -12.08423 14.57700  18.43023  1.000 31.70204 ? 22  LEU A O     1 
ATOM   155  C  CB    . LEU A 1 22  ? -10.85201 17.59811  18.08450  1.000 30.36352 ? 22  LEU A CB    1 
ATOM   156  C  CG    . LEU A 1 22  ? -11.98003 17.90066  19.07248  1.000 35.40687 ? 22  LEU A CG    1 
ATOM   157  C  CD1   . LEU A 1 22  ? -11.74529 17.22981  20.42801  1.000 46.62237 ? 22  LEU A CD1   1 
ATOM   158  C  CD2   . LEU A 1 22  ? -12.18143 19.41013  19.22550  1.000 35.97407 ? 22  LEU A CD2   1 
ATOM   159  N  N     . MET A 1 23  ? -11.74167 15.14905  16.27633  1.000 26.68995 ? 23  MET A N     1 
ATOM   160  C  CA    . MET A 1 23  ? -12.75803 14.22545  15.78009  1.000 30.96588 ? 23  MET A CA    1 
ATOM   161  C  C     . MET A 1 23  ? -12.41251 12.78349  16.12343  1.000 26.35075 ? 23  MET A C     1 
ATOM   162  O  O     . MET A 1 23  ? -13.30296 11.97573  16.41126  1.000 23.60908 ? 23  MET A O     1 
ATOM   163  C  CB    . MET A 1 23  ? -12.92394 14.37852  14.26782  1.000 31.49949 ? 23  MET A CB    1 
ATOM   164  C  CG    . MET A 1 23  ? -13.15365 15.79925  13.79267  1.000 36.45356 ? 23  MET A CG    1 
ATOM   165  S  SD    . MET A 1 23  ? -13.37531 15.85634  12.00457  1.000 42.23398 ? 23  MET A SD    1 
ATOM   166  C  CE    . MET A 1 23  ? -14.93040 14.98568  11.83692  1.000 47.19552 ? 23  MET A CE    1 
ATOM   167  N  N     . VAL A 1 24  ? -11.12603 12.44238  16.10160  1.000 23.74080 ? 24  VAL A N     1 
ATOM   168  C  CA    . VAL A 1 24  ? -10.72993 11.07387  16.41103  1.000 21.42005 ? 24  VAL A CA    1 
ATOM   169  C  C     . VAL A 1 24  ? -10.77076 10.81886  17.91575  1.000 22.16393 ? 24  VAL A C     1 
ATOM   170  O  O     . VAL A 1 24  ? -11.12717 9.71463   18.34695  1.000 22.92844 ? 24  VAL A O     1 
ATOM   171  C  CB    . VAL A 1 24  ? -9.34516  10.76400  15.81737  1.000 20.47320 ? 24  VAL A CB    1 
ATOM   172  C  CG1   . VAL A 1 24  ? -9.00390  9.29323   16.02919  1.000 17.96444 ? 24  VAL A CG1   1 
ATOM   173  C  CG2   . VAL A 1 24  ? -9.30483  11.12296  14.32605  1.000 20.50147 ? 24  VAL A CG2   1 
ATOM   174  N  N     . TYR A 1 25  ? -10.40681 11.82135  18.73816  1.000 19.21181 ? 25  TYR A N     1 
ATOM   175  C  CA    . TYR A 1 25  ? -10.56303 11.67267  20.18744  1.000 24.50108 ? 25  TYR A CA    1 
ATOM   176  C  C     . TYR A 1 25  ? -12.01482 11.39146  20.55298  1.000 28.97931 ? 25  TYR A C     1 
ATOM   177  O  O     . TYR A 1 25  ? -12.30164 10.50928  21.37152  1.000 31.18466 ? 25  TYR A O     1 
ATOM   178  C  CB    . TYR A 1 25  ? -10.12030 12.92480  20.95361  1.000 29.62997 ? 25  TYR A CB    1 
ATOM   179  C  CG    . TYR A 1 25  ? -8.76131  13.53228  20.68184  1.000 33.27165 ? 25  TYR A CG    1 
ATOM   180  C  CD1   . TYR A 1 25  ? -7.69652  12.78000  20.19865  1.000 23.85152 ? 25  TYR A CD1   1 
ATOM   181  C  CD2   . TYR A 1 25  ? -8.53904  14.87548  20.96836  1.000 35.43941 ? 25  TYR A CD2   1 
ATOM   182  C  CE1   . TYR A 1 25  ? -6.44994  13.37082  19.97511  1.000 21.44083 ? 25  TYR A CE1   1 
ATOM   183  C  CE2   . TYR A 1 25  ? -7.31514  15.46659  20.75472  1.000 33.56156 ? 25  TYR A CE2   1 
ATOM   184  C  CZ    . TYR A 1 25  ? -6.27374  14.71580  20.25776  1.000 25.10644 ? 25  TYR A CZ    1 
ATOM   185  O  OH    . TYR A 1 25  ? -5.05842  15.32378  20.05413  1.000 30.92271 ? 25  TYR A OH    1 
ATOM   186  N  N     . GLU A 1 26  ? -12.94210 12.13606  19.94942  1.000 25.51099 ? 26  GLU A N     1 
ATOM   187  C  CA    . GLU A 1 26  ? -14.35577 11.97603  20.27085  1.000 25.33002 ? 26  GLU A CA    1 
ATOM   188  C  C     . GLU A 1 26  ? -14.90038 10.66184  19.72436  1.000 26.94228 ? 26  GLU A C     1 
ATOM   189  O  O     . GLU A 1 26  ? -15.74658 10.02314  20.35899  1.000 29.66044 ? 26  GLU A O     1 
ATOM   190  C  CB    . GLU A 1 26  ? -15.13667 13.17755  19.73822  1.000 35.20876 ? 26  GLU A CB    1 
ATOM   191  C  CG    . GLU A 1 26  ? -14.62390 14.51181  20.29213  1.000 42.17010 ? 26  GLU A CG    1 
ATOM   192  C  CD    . GLU A 1 26  ? -15.31202 15.72868  19.69395  1.000 41.13563 ? 26  GLU A CD    1 
ATOM   193  O  OE1   . GLU A 1 26  ? -15.48947 15.76782  18.45886  1.000 53.75297 ? 26  GLU A OE1   1 
ATOM   194  O  OE2   . GLU A 1 26  ? -15.64995 16.65790  20.45295  1.000 48.66260 ? 26  GLU A OE2   1 
ATOM   195  N  N     . TYR A 1 27  ? -14.41373 10.23223  18.56018  1.000 23.36025 ? 27  TYR A N     1 
ATOM   196  C  CA    . TYR A 1 27  ? -14.77709 8.91341   18.04764  1.000 26.05779 ? 27  TYR A CA    1 
ATOM   197  C  C     . TYR A 1 27  ? -14.28723 7.80085   18.96691  1.000 26.19855 ? 27  TYR A C     1 
ATOM   198  O  O     . TYR A 1 27  ? -15.02036 6.83890   19.22675  1.000 24.82257 ? 27  TYR A O     1 
ATOM   199  C  CB    . TYR A 1 27  ? -14.21915 8.72608   16.63802  1.000 23.65551 ? 27  TYR A CB    1 
ATOM   200  C  CG    . TYR A 1 27  ? -14.43651 7.33765   16.07856  1.000 20.54463 ? 27  TYR A CG    1 
ATOM   201  C  CD1   . TYR A 1 27  ? -15.71511 6.87778   15.78715  1.000 21.98788 ? 27  TYR A CD1   1 
ATOM   202  C  CD2   . TYR A 1 27  ? -13.36115 6.49228   15.83265  1.000 23.78049 ? 27  TYR A CD2   1 
ATOM   203  C  CE1   . TYR A 1 27  ? -15.91831 5.60232   15.26734  1.000 28.09578 ? 27  TYR A CE1   1 
ATOM   204  C  CE2   . TYR A 1 27  ? -13.55181 5.22110   15.30897  1.000 20.87842 ? 27  TYR A CE2   1 
ATOM   205  C  CZ    . TYR A 1 27  ? -14.82913 4.77978   15.03223  1.000 21.10209 ? 27  TYR A CZ    1 
ATOM   206  O  OH    . TYR A 1 27  ? -15.01634 3.51730   14.51729  1.000 22.36560 ? 27  TYR A OH    1 
ATOM   207  N  N     . ASN A 1 28  ? -13.05019 7.91630   19.46861  1.000 25.63043 ? 28  ASN A N     1 
ATOM   208  C  CA    . ASN A 1 28  ? -12.48562 6.86914   20.31711  1.000 21.06185 ? 28  ASN A CA    1 
ATOM   209  C  C     . ASN A 1 28  ? -13.26941 6.70619   21.61706  1.000 23.15063 ? 28  ASN A C     1 
ATOM   210  O  O     . ASN A 1 28  ? -13.41797 5.58361   22.11266  1.000 24.93773 ? 28  ASN A O     1 
ATOM   211  C  CB    . ASN A 1 28  ? -11.01487 7.15669   20.61464  1.000 18.44135 ? 28  ASN A CB    1 
ATOM   212  C  CG    . ASN A 1 28  ? -10.08920 6.68240   19.49801  1.000 25.01839 ? 28  ASN A CG    1 
ATOM   213  O  OD1   . ASN A 1 28  ? -10.41616 5.75159   18.76202  1.000 20.08202 ? 28  ASN A OD1   1 
ATOM   214  N  ND2   . ASN A 1 28  ? -8.92645  7.31676   19.37715  1.000 17.22696 ? 28  ASN A ND2   1 
ATOM   215  N  N     . THR A 1 29  ? -13.78330 7.80650   22.18266  1.000 30.19081 ? 29  THR A N     1 
ATOM   216  C  CA    . THR A 1 29  ? -14.67711 7.67427   23.33566  1.000 26.48593 ? 29  THR A CA    1 
ATOM   217  C  C     . THR A 1 29  ? -15.97576 6.97436   22.96587  1.000 30.74163 ? 29  THR A C     1 
ATOM   218  O  O     . THR A 1 29  ? -16.55438 6.27012   23.80002  1.000 34.30281 ? 29  THR A O     1 
ATOM   219  C  CB    . THR A 1 29  ? -15.01207 9.03391   23.96087  1.000 44.79424 ? 29  THR A CB    1 
ATOM   220  O  OG1   . THR A 1 29  ? -15.94522 9.73818   23.13159  1.000 51.09641 ? 29  THR A OG1   1 
ATOM   221  C  CG2   . THR A 1 29  ? -13.78449 9.87008   24.16258  1.000 27.64494 ? 29  THR A CG2   1 
ATOM   222  N  N     . LYS A 1 30  ? -16.45019 7.15983   21.73304  1.000 28.79241 ? 30  LYS A N     1 
ATOM   223  C  CA    . LYS A 1 30  ? -17.69890 6.52926   21.32159  1.000 30.98995 ? 30  LYS A CA    1 
ATOM   224  C  C     . LYS A 1 30  ? -17.54625 5.02148   21.18513  1.000 29.36399 ? 30  LYS A C     1 
ATOM   225  O  O     . LYS A 1 30  ? -18.51286 4.28265   21.38978  1.000 34.88144 ? 30  LYS A O     1 
ATOM   226  C  CB    . LYS A 1 30  ? -18.18745 7.13107   20.00111  1.000 33.75708 ? 30  LYS A CB    1 
ATOM   227  C  CG    . LYS A 1 30  ? -18.87762 8.48975   20.10444  1.000 36.64206 ? 30  LYS A CG    1 
ATOM   228  C  CD    . LYS A 1 30  ? -19.33476 8.80717   21.52178  1.000 49.10734 ? 30  LYS A CD    1 
ATOM   229  C  CE    . LYS A 1 30  ? -19.62887 10.27612  21.69709  1.000 54.24388 ? 30  LYS A CE    1 
ATOM   230  N  NZ    . LYS A 1 30  ? -19.75676 10.56848  23.14707  1.000 43.10954 ? 30  LYS A NZ    1 
ATOM   231  N  N     . ILE A 1 31  ? -16.35398 4.54638   20.84173  1.000 29.18169 ? 31  ILE A N     1 
ATOM   232  C  CA    . ILE A 1 31  ? -16.13952 3.13269   20.57763  1.000 27.60394 ? 31  ILE A CA    1 
ATOM   233  C  C     . ILE A 1 31  ? -15.28535 2.48915   21.66490  1.000 30.57330 ? 31  ILE A C     1 
ATOM   234  O  O     . ILE A 1 31  ? -14.75236 1.40112   21.46170  1.000 30.63718 ? 31  ILE A O     1 
ATOM   235  C  CB    . ILE A 1 31  ? -15.52257 2.90960   19.19159  1.000 25.09903 ? 31  ILE A CB    1 
ATOM   236  C  CG1   . ILE A 1 31  ? -14.14432 3.56752   19.12532  1.000 20.46937 ? 31  ILE A CG1   1 
ATOM   237  C  CG2   . ILE A 1 31  ? -16.43672 3.48600   18.12965  1.000 23.52128 ? 31  ILE A CG2   1 
ATOM   238  C  CD1   . ILE A 1 31  ? -13.25229 2.97328   18.06620  1.000 25.29713 ? 31  ILE A CD1   1 
ATOM   239  N  N     . LYS A 1 32  ? -15.16871 3.15213   22.82305  1.000 36.84172 ? 32  LYS A N     1 
ATOM   240  C  CA    . LYS A 1 32  ? -14.18276 2.78196   23.83823  1.000 40.71691 ? 32  LYS A CA    1 
ATOM   241  C  C     . LYS A 1 32  ? -14.39950 1.35689   24.34068  1.000 44.13455 ? 32  LYS A C     1 
ATOM   242  O  O     . LYS A 1 32  ? -13.43714 0.66502   24.69368  1.000 43.81875 ? 32  LYS A O     1 
ATOM   243  C  CB    . LYS A 1 32  ? -14.24457 3.80213   24.98672  1.000 45.49523 ? 32  LYS A CB    1 
ATOM   244  C  CG    . LYS A 1 32  ? -13.92690 3.28470   26.38984  1.000 48.99876 ? 32  LYS A CG    1 
ATOM   245  C  CD    . LYS A 1 32  ? -12.42643 3.13936   26.63258  1.000 43.50877 ? 32  LYS A CD    1 
ATOM   246  C  CE    . LYS A 1 32  ? -12.09879 3.24473   28.12107  1.000 55.56582 ? 32  LYS A CE    1 
ATOM   247  N  NZ    . LYS A 1 32  ? -12.12435 4.64787   28.62904  1.000 43.96918 ? 32  LYS A NZ    1 
ATOM   248  N  N     . GLU A 1 33  ? -15.63766 0.87790   24.30126  1.000 42.16613 ? 33  GLU A N     1 
ATOM   249  C  CA    . GLU A 1 33  ? -15.96542 -0.47278  24.72468  1.000 37.91155 ? 33  GLU A CA    1 
ATOM   250  C  C     . GLU A 1 33  ? -15.79303 -1.50947  23.62091  1.000 36.14243 ? 33  GLU A C     1 
ATOM   251  O  O     . GLU A 1 33  ? -16.01566 -2.69610  23.87352  1.000 36.94057 ? 33  GLU A O     1 
ATOM   252  C  CB    . GLU A 1 33  ? -17.40295 -0.50944  25.25276  1.000 49.54574 ? 33  GLU A CB    1 
ATOM   253  C  CG    . GLU A 1 33  ? -17.76503 0.67847   26.15015  1.000 49.40783 ? 33  GLU A CG    1 
ATOM   254  C  CD    . GLU A 1 33  ? -17.15356 0.61567   27.54501  1.000 53.45969 ? 33  GLU A CD    1 
ATOM   255  O  OE1   . GLU A 1 33  ? -16.49681 -0.39047  27.89399  1.000 56.49897 ? 33  GLU A OE1   1 
ATOM   256  O  OE2   . GLU A 1 33  ? -17.32359 1.59751   28.29689  1.000 65.51486 ? 33  GLU A OE2   1 
ATOM   257  N  N     . TYR A 1 34  ? -15.39959 -1.10375  22.41042  1.000 37.53801 ? 34  TYR A N     1 
ATOM   258  C  CA    . TYR A 1 34  ? -15.06130 -2.07262  21.37455  1.000 34.57003 ? 34  TYR A CA    1 
ATOM   259  C  C     . TYR A 1 34  ? -13.62737 -2.57219  21.47469  1.000 34.28918 ? 34  TYR A C     1 
ATOM   260  O  O     . TYR A 1 34  ? -13.27142 -3.52489  20.77302  1.000 31.32943 ? 34  TYR A O     1 
ATOM   261  C  CB    . TYR A 1 34  ? -15.29222 -1.48022  19.97758  1.000 30.34852 ? 34  TYR A CB    1 
ATOM   262  C  CG    . TYR A 1 34  ? -16.75423 -1.35088  19.60524  1.000 38.44410 ? 34  TYR A CG    1 
ATOM   263  C  CD1   . TYR A 1 34  ? -17.51869 -0.28762  20.07061  1.000 28.43569 ? 34  TYR A CD1   1 
ATOM   264  C  CD2   . TYR A 1 34  ? -17.37345 -2.30280  18.80522  1.000 36.23387 ? 34  TYR A CD2   1 
ATOM   265  C  CE1   . TYR A 1 34  ? -18.85792 -0.16731  19.73605  1.000 42.56112 ? 34  TYR A CE1   1 
ATOM   266  C  CE2   . TYR A 1 34  ? -18.70871 -2.19363  18.47081  1.000 29.69159 ? 34  TYR A CE2   1 
ATOM   267  C  CZ    . TYR A 1 34  ? -19.44564 -1.12398  18.93577  1.000 38.25224 ? 34  TYR A CZ    1 
ATOM   268  O  OH    . TYR A 1 34  ? -20.77350 -1.01258  18.59955  1.000 37.60427 ? 34  TYR A OH    1 
ATOM   269  N  N     . GLY A 1 35  ? -12.80255 -1.96224  22.32006  1.000 22.17760 ? 35  GLY A N     1 
ATOM   270  C  CA    . GLY A 1 35  ? -11.50407 -2.51168  22.63212  1.000 24.89775 ? 35  GLY A CA    1 
ATOM   271  C  C     . GLY A 1 35  ? -10.42240 -2.20069  21.62489  1.000 28.62456 ? 35  GLY A C     1 
ATOM   272  O  O     . GLY A 1 35  ? -9.29067  -2.66721  21.79449  1.000 23.41820 ? 35  GLY A O     1 
ATOM   273  N  N     . VAL A 1 36  ? -10.72603 -1.42611  20.58811  1.000 23.12124 ? 36  VAL A N     1 
ATOM   274  C  CA    . VAL A 1 36  ? -9.79123  -1.17925  19.49935  1.000 19.31074 ? 36  VAL A CA    1 
ATOM   275  C  C     . VAL A 1 36  ? -9.57718  0.32192   19.38492  1.000 27.25603 ? 36  VAL A C     1 
ATOM   276  O  O     . VAL A 1 36  ? -10.40949 1.13108   19.80404  1.000 26.86359 ? 36  VAL A O     1 
ATOM   277  C  CB    . VAL A 1 36  ? -10.28539 -1.75658  18.16134  1.000 20.64126 ? 36  VAL A CB    1 
ATOM   278  C  CG1   . VAL A 1 36  ? -10.25734 -3.27113  18.20018  1.000 21.31605 ? 36  VAL A CG1   1 
ATOM   279  C  CG2   . VAL A 1 36  ? -11.69544 -1.25559  17.86596  1.000 28.91829 ? 36  VAL A CG2   1 
ATOM   280  N  N     . TYR A 1 37  ? -8.42863  0.69115   18.82577  1.000 19.52890 ? 37  TYR A N     1 
ATOM   281  C  CA    . TYR A 1 37  ? -7.92171  2.04891   18.93866  1.000 18.25057 ? 37  TYR A CA    1 
ATOM   282  C  C     . TYR A 1 37  ? -7.66336  2.57649   17.53672  1.000 19.09617 ? 37  TYR A C     1 
ATOM   283  O  O     . TYR A 1 37  ? -6.88671  1.98447   16.77907  1.000 17.31867 ? 37  TYR A O     1 
ATOM   284  C  CB    . TYR A 1 37  ? -6.64907  2.08719   19.78728  1.000 17.96500 ? 37  TYR A CB    1 
ATOM   285  C  CG    . TYR A 1 37  ? -6.13389  3.48029   20.06866  1.000 23.19527 ? 37  TYR A CG    1 
ATOM   286  C  CD1   . TYR A 1 37  ? -6.85146  4.34743   20.88126  1.000 22.77280 ? 37  TYR A CD1   1 
ATOM   287  C  CD2   . TYR A 1 37  ? -4.91822  3.91698   19.55709  1.000 26.31216 ? 37  TYR A CD2   1 
ATOM   288  C  CE1   . TYR A 1 37  ? -6.38601  5.61785   21.15688  1.000 24.23589 ? 37  TYR A CE1   1 
ATOM   289  C  CE2   . TYR A 1 37  ? -4.44199  5.19144   19.83290  1.000 24.70865 ? 37  TYR A CE2   1 
ATOM   290  C  CZ    . TYR A 1 37  ? -5.18537  6.03484   20.63489  1.000 27.05794 ? 37  TYR A CZ    1 
ATOM   291  O  OH    . TYR A 1 37  ? -4.73092  7.30008   20.92693  1.000 35.98387 ? 37  TYR A OH    1 
ATOM   292  N  N     . LEU A 1 38  ? -8.32347  3.67444   17.18874  1.000 17.50947 ? 38  LEU A N     1 
ATOM   293  C  CA    . LEU A 1 38  ? -8.01251  4.41446   15.97218  1.000 17.11579 ? 38  LEU A CA    1 
ATOM   294  C  C     . LEU A 1 38  ? -7.01437  5.50276   16.32964  1.000 16.18944 ? 38  LEU A C     1 
ATOM   295  O  O     . LEU A 1 38  ? -7.34685  6.43193   17.07132  1.000 15.37334 ? 38  LEU A O     1 
ATOM   296  C  CB    . LEU A 1 38  ? -9.27948  5.01104   15.36784  1.000 17.63928 ? 38  LEU A CB    1 
ATOM   297  C  CG    . LEU A 1 38  ? -9.04009  5.90054   14.14421  1.000 17.23204 ? 38  LEU A CG    1 
ATOM   298  C  CD1   . LEU A 1 38  ? -8.41073  5.10141   12.99926  1.000 13.67455 ? 38  LEU A CD1   1 
ATOM   299  C  CD2   . LEU A 1 38  ? -10.33857 6.53773   13.71023  1.000 19.07667 ? 38  LEU A CD2   1 
ATOM   300  N  N     . LYS A 1 39  ? -5.79563  5.38854   15.81961  1.000 18.54283 ? 39  LYS A N     1 
ATOM   301  C  CA    . LYS A 1 39  ? -4.73073  6.27437   16.26843  1.000 17.45738 ? 39  LYS A CA    1 
ATOM   302  C  C     . LYS A 1 39  ? -4.96607  7.68107   15.73268  1.000 18.77336 ? 39  LYS A C     1 
ATOM   303  O  O     . LYS A 1 39  ? -5.02204  7.86419   14.50598  1.000 21.95349 ? 39  LYS A O     1 
ATOM   304  C  CB    . LYS A 1 39  ? -3.36907  5.75182   15.82000  1.000 16.00685 ? 39  LYS A CB    1 
ATOM   305  C  CG    . LYS A 1 39  ? -2.21521  6.42065   16.54191  1.000 18.02741 ? 39  LYS A CG    1 
ATOM   306  C  CD    . LYS A 1 39  ? -0.88237  5.76161   16.23166  1.000 15.84135 ? 39  LYS A CD    1 
ATOM   307  C  CE    . LYS A 1 39  ? 0.23306   6.48020   16.95554  1.000 15.14446 ? 39  LYS A CE    1 
ATOM   308  N  NZ    . LYS A 1 39  ? 1.56469   5.88667   16.66757  1.000 19.61779 ? 39  LYS A NZ    1 
ATOM   309  N  N     . PRO A 1 40  ? -5.13114  8.68853   16.60001  1.000 18.62263 ? 40  PRO A N     1 
ATOM   310  C  CA    . PRO A 1 40  ? -5.45788  10.03735  16.10806  1.000 14.66619 ? 40  PRO A CA    1 
ATOM   311  C  C     . PRO A 1 40  ? -4.38496  10.62571  15.22448  1.000 17.90242 ? 40  PRO A C     1 
ATOM   312  O  O     . PRO A 1 40  ? -4.69560  11.38894  14.30664  1.000 19.91882 ? 40  PRO A O     1 
ATOM   313  C  CB    . PRO A 1 40  ? -5.63636  10.85635  17.39408  1.000 17.32198 ? 40  PRO A CB    1 
ATOM   314  C  CG    . PRO A 1 40  ? -5.90424  9.85779   18.47487  1.000 22.00473 ? 40  PRO A CG    1 
ATOM   315  C  CD    . PRO A 1 40  ? -5.21395  8.58930   18.06718  1.000 20.44116 ? 40  PRO A CD    1 
ATOM   316  N  N     . TYR A 1 41  ? -3.12938  10.27164  15.46377  1.000 15.89719 ? 41  TYR A N     1 
ATOM   317  C  CA    . TYR A 1 41  ? -2.01573  11.06674  14.96677  1.000 22.18855 ? 41  TYR A CA    1 
ATOM   318  C  C     . TYR A 1 41  ? -0.81935  10.13586  14.89662  1.000 21.42475 ? 41  TYR A C     1 
ATOM   319  O  O     . TYR A 1 41  ? -0.27657  9.76938   15.93626  1.000 19.83477 ? 41  TYR A O     1 
ATOM   320  C  CB    . TYR A 1 41  ? -1.76244  12.23991  15.89363  1.000 22.59575 ? 41  TYR A CB    1 
ATOM   321  C  CG    . TYR A 1 41  ? -0.57414  13.10093  15.56258  1.000 25.57610 ? 41  TYR A CG    1 
ATOM   322  C  CD1   . TYR A 1 41  ? -0.53650  13.84355  14.39214  1.000 24.52645 ? 41  TYR A CD1   1 
ATOM   323  C  CD2   . TYR A 1 41  ? 0.48132   13.22541  16.45479  1.000 29.02199 ? 41  TYR A CD2   1 
ATOM   324  C  CE1   . TYR A 1 41  ? 0.54410   14.66172  14.10042  1.000 39.13378 ? 41  TYR A CE1   1 
ATOM   325  C  CE2   . TYR A 1 41  ? 1.55728   14.04210  16.17642  1.000 38.41896 ? 41  TYR A CE2   1 
ATOM   326  C  CZ    . TYR A 1 41  ? 1.58859   14.75236  14.99261  1.000 40.52124 ? 41  TYR A CZ    1 
ATOM   327  O  OH    . TYR A 1 41  ? 2.66399   15.56024  14.70489  1.000 36.45684 ? 41  TYR A OH    1 
ATOM   328  N  N     . HIS A 1 42  ? -0.44313  9.72280   13.69438  1.000 20.78512 ? 42  HIS A N     1 
ATOM   329  C  CA    . HIS A 1 42  ? 0.67096   8.81094   13.48986  1.000 16.68983 ? 42  HIS A CA    1 
ATOM   330  C  C     . HIS A 1 42  ? 1.77867   9.55078   12.75589  1.000 19.47602 ? 42  HIS A C     1 
ATOM   331  O  O     . HIS A 1 42  ? 1.50673   10.24119  11.77064  1.000 18.54354 ? 42  HIS A O     1 
ATOM   332  C  CB    . HIS A 1 42  ? 0.21742   7.59096   12.69112  1.000 18.48881 ? 42  HIS A CB    1 
ATOM   333  C  CG    . HIS A 1 42  ? 1.23989   6.50656   12.61376  1.000 23.56749 ? 42  HIS A CG    1 
ATOM   334  N  ND1   . HIS A 1 42  ? 1.79927   5.94164   13.73626  1.000 18.47786 ? 42  HIS A ND1   1 
ATOM   335  C  CD2   . HIS A 1 42  ? 1.78603   5.86428   11.55394  1.000 17.22811 ? 42  HIS A CD2   1 
ATOM   336  C  CE1   . HIS A 1 42  ? 2.65131   5.00228   13.37412  1.000 21.32302 ? 42  HIS A CE1   1 
ATOM   337  N  NE2   . HIS A 1 42  ? 2.66251   4.93305   12.05448  1.000 16.29663 ? 42  HIS A NE2   1 
ATOM   338  N  N     . ILE A 1 43  ? 3.01279   9.42588   13.24811  1.000 19.13644 ? 43  ILE A N     1 
ATOM   339  C  CA    . ILE A 1 43  ? 4.17917   10.07832  12.65715  1.000 17.04537 ? 43  ILE A CA    1 
ATOM   340  C  C     . ILE A 1 43  ? 5.15051   9.01308   12.17212  1.000 22.99243 ? 43  ILE A C     1 
ATOM   341  O  O     . ILE A 1 43  ? 5.45168   8.06060   12.90015  1.000 19.61527 ? 43  ILE A O     1 
ATOM   342  C  CB    . ILE A 1 43  ? 4.90175   11.01506  13.63996  1.000 21.21532 ? 43  ILE A CB    1 
ATOM   343  C  CG1   . ILE A 1 43  ? 3.92813   11.76975  14.53690  1.000 21.91579 ? 43  ILE A CG1   1 
ATOM   344  C  CG2   . ILE A 1 43  ? 5.76689   12.00148  12.87251  1.000 21.94794 ? 43  ILE A CG2   1 
ATOM   345  C  CD1   . ILE A 1 43  ? 4.63098   12.43739  15.69794  1.000 27.16752 ? 43  ILE A CD1   1 
ATOM   346  N  N     . VAL A 1 44  ? 5.66579   9.19678   10.96009  1.000 18.37268 ? 44  VAL A N     1 
ATOM   347  C  CA    . VAL A 1 44  ? 6.75337   8.39051   10.42278  1.000 24.53192 ? 44  VAL A CA    1 
ATOM   348  C  C     . VAL A 1 44  ? 7.88252   9.33173   10.03390  1.000 22.66169 ? 44  VAL A C     1 
ATOM   349  O  O     . VAL A 1 44  ? 7.63387   10.40531  9.47422   1.000 23.64124 ? 44  VAL A O     1 
ATOM   350  C  CB    . VAL A 1 44  ? 6.28211   7.54929   9.21562   1.000 19.11444 ? 44  VAL A CB    1 
ATOM   351  C  CG1   . VAL A 1 44  ? 7.44163   6.81713   8.56397   1.000 21.56453 ? 44  VAL A CG1   1 
ATOM   352  C  CG2   . VAL A 1 44  ? 5.21200   6.56810   9.64872   1.000 21.43785 ? 44  VAL A CG2   1 
ATOM   353  N  N     . TYR A 1 45  ? 9.11553   8.94629   10.36211  1.000 21.88520 ? 45  TYR A N     1 
ATOM   354  C  CA    . TYR A 1 45  ? 10.27996  9.81856   10.27171  1.000 24.66568 ? 45  TYR A CA    1 
ATOM   355  C  C     . TYR A 1 45  ? 11.18972  9.31342   9.16352   1.000 30.41771 ? 45  TYR A C     1 
ATOM   356  O  O     . TYR A 1 45  ? 11.54871  8.13096   9.14154   1.000 30.84327 ? 45  TYR A O     1 
ATOM   357  C  CB    . TYR A 1 45  ? 11.06337  9.88329   11.59100  1.000 31.43176 ? 45  TYR A CB    1 
ATOM   358  C  CG    . TYR A 1 45  ? 10.29477  10.39908  12.79618  1.000 25.91876 ? 45  TYR A CG    1 
ATOM   359  C  CD1   . TYR A 1 45  ? 9.22321   9.69418   13.32172  1.000 27.06879 ? 45  TYR A CD1   1 
ATOM   360  C  CD2   . TYR A 1 45  ? 10.65225  11.59178  13.41121  1.000 33.63312 ? 45  TYR A CD2   1 
ATOM   361  C  CE1   . TYR A 1 45  ? 8.52500   10.15293  14.40606  1.000 27.26018 ? 45  TYR A CE1   1 
ATOM   362  C  CE2   . TYR A 1 45  ? 9.95478   12.06213  14.51056  1.000 32.23594 ? 45  TYR A CE2   1 
ATOM   363  C  CZ    . TYR A 1 45  ? 8.89004   11.33168  14.99804  1.000 31.18032 ? 45  TYR A CZ    1 
ATOM   364  O  OH    . TYR A 1 45  ? 8.17612   11.76826  16.08645  1.000 35.85890 ? 45  TYR A OH    1 
ATOM   365  N  N     . LYS A 1 46  ? 11.55490  10.21196  8.25156   1.000 30.43501 ? 46  LYS A N     1 
ATOM   366  C  CA    . LYS A 1 46  ? 12.52511  9.92673   7.20098   1.000 31.26313 ? 46  LYS A CA    1 
ATOM   367  C  C     . LYS A 1 46  ? 13.11429  11.25013  6.74823   1.000 33.14149 ? 46  LYS A C     1 
ATOM   368  O  O     . LYS A 1 46  ? 12.36010  12.16021  6.39841   1.000 41.09259 ? 46  LYS A O     1 
ATOM   369  C  CB    . LYS A 1 46  ? 11.86803  9.20730   6.01522   1.000 41.98065 ? 46  LYS A CB    1 
ATOM   370  C  CG    . LYS A 1 46  ? 12.72345  8.12218   5.37095   1.000 50.13384 ? 46  LYS A CG    1 
ATOM   371  C  CD    . LYS A 1 46  ? 13.18727  7.10440   6.39326   1.000 49.91627 ? 46  LYS A CD    1 
ATOM   372  C  CE    . LYS A 1 46  ? 14.38285  6.30767   5.89386   1.000 48.79662 ? 46  LYS A CE    1 
ATOM   373  N  NZ    . LYS A 1 46  ? 14.49091  4.99602   6.60294   1.000 54.83601 ? 46  LYS A NZ    1 
ATOM   374  N  N     . ASN A 1 47  ? 14.44839  11.35679  6.76864   1.000 39.63615 ? 47  ASN A N     1 
ATOM   375  C  CA    . ASN A 1 47  ? 15.18586  12.34166  5.96601   1.000 42.69222 ? 47  ASN A CA    1 
ATOM   376  C  C     . ASN A 1 47  ? 14.88064  13.77037  6.41145   1.000 44.60376 ? 47  ASN A C     1 
ATOM   377  O  O     . ASN A 1 47  ? 14.67908  14.66236  5.58339   1.000 55.78891 ? 47  ASN A O     1 
ATOM   378  C  CB    . ASN A 1 47  ? 14.89760  12.16757  4.47229   1.000 48.51507 ? 47  ASN A CB    1 
ATOM   379  C  CG    . ASN A 1 47  ? 15.44358  10.86620  3.91926   1.000 48.74620 ? 47  ASN A CG    1 
ATOM   380  O  OD1   . ASN A 1 47  ? 16.42511  10.32268  4.42694   1.000 51.62085 ? 47  ASN A OD1   1 
ATOM   381  N  ND2   . ASN A 1 47  ? 14.79195  10.34598  2.88714   1.000 54.97101 ? 47  ASN A ND2   1 
ATOM   382  N  N     . SER A 1 48  ? 14.81405  13.96952  7.73315   1.000 51.80613 ? 48  SER A N     1 
ATOM   383  C  CA    . SER A 1 48  ? 14.37760  15.18795  8.42125   1.000 47.18654 ? 48  SER A CA    1 
ATOM   384  C  C     . SER A 1 48  ? 12.91989  15.55353  8.14820   1.000 40.68500 ? 48  SER A C     1 
ATOM   385  O  O     . SER A 1 48  ? 12.48495  16.65028  8.51893   1.000 42.17615 ? 48  SER A O     1 
ATOM   386  C  CB    . SER A 1 48  ? 15.27854  16.39200  8.09904   1.000 44.74205 ? 48  SER A CB    1 
ATOM   387  O  OG    . SER A 1 48  ? 16.49909  16.33195  8.81602   1.000 64.20068 ? 48  SER A OG    1 
ATOM   388  N  N     . LYS A 1 49  ? 12.14666  14.67149  7.52366   1.000 35.18296 ? 49  LYS A N     1 
ATOM   389  C  CA    . LYS A 1 49  ? 10.71984  14.88453  7.34341   1.000 32.89430 ? 49  LYS A CA    1 
ATOM   390  C  C     . LYS A 1 49  ? 9.94145   14.02957  8.33247   1.000 34.77086 ? 49  LYS A C     1 
ATOM   391  O  O     . LYS A 1 49  ? 10.36119  12.92901  8.69757   1.000 33.26157 ? 49  LYS A O     1 
ATOM   392  C  CB    . LYS A 1 49  ? 10.28486  14.55288  5.91375   1.000 38.96696 ? 49  LYS A CB    1 
ATOM   393  C  CG    . LYS A 1 49  ? 10.99162  15.37635  4.85346   1.000 41.69372 ? 49  LYS A CG    1 
ATOM   394  C  CD    . LYS A 1 49  ? 10.82891  14.77615  3.46458   1.000 48.88748 ? 49  LYS A CD    1 
ATOM   395  C  CE    . LYS A 1 49  ? 10.72576  15.86504  2.40357   1.000 55.18240 ? 49  LYS A CE    1 
ATOM   396  N  NZ    . LYS A 1 49  ? 10.01954  15.39686  1.17663   1.000 48.51005 ? 49  LYS A NZ    1 
ATOM   397  N  N     . ARG A 1 50  ? 8.80071   14.55115  8.76636   1.000 28.51729 ? 50  ARG A N     1 
ATOM   398  C  CA    . ARG A 1 50  ? 7.80577   13.77801  9.49101   1.000 29.26540 ? 50  ARG A CA    1 
ATOM   399  C  C     . ARG A 1 50  ? 6.58188   13.62057  8.60236   1.000 29.88408 ? 50  ARG A C     1 
ATOM   400  O  O     . ARG A 1 50  ? 5.98337   14.61561  8.18758   1.000 34.45091 ? 50  ARG A O     1 
ATOM   401  C  CB    . ARG A 1 50  ? 7.42991   14.46271  10.80425  1.000 29.38329 ? 50  ARG A CB    1 
ATOM   402  C  CG    . ARG A 1 50  ? 8.53429   14.46688  11.84094  1.000 36.42157 ? 50  ARG A CG    1 
ATOM   403  C  CD    . ARG A 1 50  ? 8.75921   15.85860  12.38346  1.000 39.99582 ? 50  ARG A CD    1 
ATOM   404  N  NE    . ARG A 1 50  ? 9.69498   15.85887  13.50035  1.000 54.89399 ? 50  ARG A NE    1 
ATOM   405  C  CZ    . ARG A 1 50  ? 9.33597   15.89778  14.77566  1.000 57.45005 ? 50  ARG A CZ    1 
ATOM   406  N  NH1   . ARG A 1 50  ? 8.06161   15.87163  15.13562  1.000 54.90875 ? 50  ARG A NH1   1 
ATOM   407  N  NH2   . ARG A 1 50  ? 10.27899  15.94620  15.71369  1.000 42.34940 ? 50  ARG A NH2   1 
ATOM   408  N  N     . TYR A 1 51  ? 6.21132   12.37991  8.31872   1.000 21.96995 ? 51  TYR A N     1 
ATOM   409  C  CA    . TYR A 1 51  ? 4.97951   12.08282  7.60270   1.000 22.61955 ? 51  TYR A CA    1 
ATOM   410  C  C     . TYR A 1 51  ? 3.86871   11.80761  8.59729   1.000 20.94805 ? 51  TYR A C     1 
ATOM   411  O  O     . TYR A 1 51  ? 4.05832   11.02918  9.53416   1.000 20.18703 ? 51  TYR A O     1 
ATOM   412  C  CB    . TYR A 1 51  ? 5.16710   10.87024  6.69141   1.000 20.97939 ? 51  TYR A CB    1 
ATOM   413  C  CG    . TYR A 1 51  ? 6.19919   11.12005  5.61656   1.000 22.19794 ? 51  TYR A CG    1 
ATOM   414  C  CD1   . TYR A 1 51  ? 7.54823   10.86127  5.84087   1.000 23.98397 ? 51  TYR A CD1   1 
ATOM   415  C  CD2   . TYR A 1 51  ? 5.82666   11.63417  4.38515   1.000 23.49014 ? 51  TYR A CD2   1 
ATOM   416  C  CE1   . TYR A 1 51  ? 8.49763   11.10123  4.85532   1.000 27.63490 ? 51  TYR A CE1   1 
ATOM   417  C  CE2   . TYR A 1 51  ? 6.76638   11.87303  3.39497   1.000 25.99780 ? 51  TYR A CE2   1 
ATOM   418  C  CZ    . TYR A 1 51  ? 8.09790   11.60802  3.63747   1.000 29.84852 ? 51  TYR A CZ    1 
ATOM   419  O  OH    . TYR A 1 51  ? 9.02326   11.85417  2.64808   1.000 31.79426 ? 51  TYR A OH    1 
ATOM   420  N  N     . ILE A 1 52  ? 2.70973   12.42581  8.37663   1.000 21.55076 ? 52  ILE A N     1 
ATOM   421  C  CA    . ILE A 1 52  ? 1.65744   12.53212  9.38283   1.000 20.79554 ? 52  ILE A CA    1 
ATOM   422  C  C     . ILE A 1 52  ? 0.37569   11.93834  8.81437   1.000 16.95852 ? 52  ILE A C     1 
ATOM   423  O  O     . ILE A 1 52  ? 0.00608   12.22405  7.66918   1.000 23.20415 ? 52  ILE A O     1 
ATOM   424  C  CB    . ILE A 1 52  ? 1.45010   13.99385  9.82250   1.000 22.37649 ? 52  ILE A CB    1 
ATOM   425  C  CG1   . ILE A 1 52  ? 2.65467   14.46587  10.63909  1.000 22.86860 ? 52  ILE A CG1   1 
ATOM   426  C  CG2   . ILE A 1 52  ? 0.15406   14.16259  10.60993  1.000 20.84463 ? 52  ILE A CG2   1 
ATOM   427  C  CD1   . ILE A 1 52  ? 2.69297   15.95701  10.86736  1.000 28.65563 ? 52  ILE A CD1   1 
ATOM   428  N  N     . TYR A 1 53  ? -0.28472  11.09832  9.61101   1.000 17.23147 ? 53  TYR A N     1 
ATOM   429  C  CA    . TYR A 1 53  ? -1.46869  10.35171  9.20130   1.000 19.51736 ? 53  TYR A CA    1 
ATOM   430  C  C     . TYR A 1 53  ? -2.48126  10.46381  10.32813  1.000 20.52575 ? 53  TYR A C     1 
ATOM   431  O  O     . TYR A 1 53  ? -2.27524  9.90553   11.40997  1.000 17.74956 ? 53  TYR A O     1 
ATOM   432  C  CB    . TYR A 1 53  ? -1.11692  8.89616   8.90024   1.000 17.41051 ? 53  TYR A CB    1 
ATOM   433  C  CG    . TYR A 1 53  ? -0.00497  8.81956   7.88631   1.000 16.13696 ? 53  TYR A CG    1 
ATOM   434  C  CD1   . TYR A 1 53  ? -0.27906  8.89741   6.52640   1.000 17.78736 ? 53  TYR A CD1   1 
ATOM   435  C  CD2   . TYR A 1 53  ? 1.32289   8.74437   8.28899   1.000 19.35603 ? 53  TYR A CD2   1 
ATOM   436  C  CE1   . TYR A 1 53  ? 0.74169   8.86715   5.58793   1.000 20.01508 ? 53  TYR A CE1   1 
ATOM   437  C  CE2   . TYR A 1 53  ? 2.35172   8.72763   7.35912   1.000 14.93096 ? 53  TYR A CE2   1 
ATOM   438  C  CZ    . TYR A 1 53  ? 2.05240   8.77926   6.01165   1.000 22.13591 ? 53  TYR A CZ    1 
ATOM   439  O  OH    . TYR A 1 53  ? 3.07596   8.75952   5.09158   1.000 18.56040 ? 53  TYR A OH    1 
ATOM   440  N  N     . ILE A 1 54  ? -3.54900  11.21207  10.08756  1.000 21.85957 ? 54  ILE A N     1 
ATOM   441  C  CA    . ILE A 1 54  ? -4.53201  11.52911  11.11165  1.000 24.61542 ? 54  ILE A CA    1 
ATOM   442  C  C     . ILE A 1 54  ? -5.68624  10.54362  10.97751  1.000 21.13825 ? 54  ILE A C     1 
ATOM   443  O  O     . ILE A 1 54  ? -6.29303  10.43885  9.90445   1.000 18.57923 ? 54  ILE A O     1 
ATOM   444  C  CB    . ILE A 1 54  ? -5.01371  12.98310  10.98587  1.000 26.71609 ? 54  ILE A CB    1 
ATOM   445  C  CG1   . ILE A 1 54  ? -3.83453  13.94713  11.15893  1.000 18.20824 ? 54  ILE A CG1   1 
ATOM   446  C  CG2   . ILE A 1 54  ? -6.10891  13.27711  11.99719  1.000 20.26666 ? 54  ILE A CG2   1 
ATOM   447  C  CD1   . ILE A 1 54  ? -4.15057  15.38765  10.78189  1.000 26.14422 ? 54  ILE A CD1   1 
ATOM   448  N  N     . GLY A 1 55  ? -5.99123  9.82951   12.06044  1.000 17.56585 ? 55  GLY A N     1 
ATOM   449  C  CA    . GLY A 1 55  ? -7.17627  8.97854   12.10154  1.000 17.91679 ? 55  GLY A CA    1 
ATOM   450  C  C     . GLY A 1 55  ? -7.16991  7.90329   11.03750  1.000 17.97362 ? 55  GLY A C     1 
ATOM   451  O  O     . GLY A 1 55  ? -8.19320  7.66205   10.38430  1.000 18.00952 ? 55  GLY A O     1 
ATOM   452  N  N     . LYS A 1 56  ? -6.01325  7.30804   10.79523  1.000 15.93056 ? 56  LYS A N     1 
ATOM   453  C  CA    . LYS A 1 56  ? -5.80545  6.45235   9.63683   1.000 17.77863 ? 56  LYS A CA    1 
ATOM   454  C  C     . LYS A 1 56  ? -5.61155  4.99417   10.00537  1.000 17.84066 ? 56  LYS A C     1 
ATOM   455  O  O     . LYS A 1 56  ? -6.08958  4.11005   9.28944   1.000 15.38505 ? 56  LYS A O     1 
ATOM   456  C  CB    . LYS A 1 56  ? -4.59148  6.93394   8.83286   1.000 17.10580 ? 56  LYS A CB    1 
ATOM   457  C  CG    . LYS A 1 56  ? -4.47340  6.25723   7.48114   1.000 30.12059 ? 56  LYS A CG    1 
ATOM   458  C  CD    . LYS A 1 56  ? -5.17992  7.06087   6.41295   1.000 36.98949 ? 56  LYS A CD    1 
ATOM   459  C  CE    . LYS A 1 56  ? -4.75630  6.59087   5.03565   1.000 38.17483 ? 56  LYS A CE    1 
ATOM   460  N  NZ    . LYS A 1 56  ? -3.62318  7.40444   4.50235   1.000 21.99895 ? 56  LYS A NZ    1 
ATOM   461  N  N     . TYR A 1 57  ? -4.90358  4.71074   11.09047  1.000 13.67794 ? 57  TYR A N     1 
ATOM   462  C  CA    . TYR A 1 57  ? -4.41463  3.36680   11.35116  1.000 11.78361 ? 57  TYR A CA    1 
ATOM   463  C  C     . TYR A 1 57  ? -5.03604  2.86119   12.63976  1.000 14.88240 ? 57  TYR A C     1 
ATOM   464  O  O     . TYR A 1 57  ? -5.04673  3.57461   13.64879  1.000 14.99161 ? 57  TYR A O     1 
ATOM   465  C  CB    . TYR A 1 57  ? -2.88709  3.33618   11.42954  1.000 16.31827 ? 57  TYR A CB    1 
ATOM   466  C  CG    . TYR A 1 57  ? -2.24197  3.80248   10.14238  1.000 15.93352 ? 57  TYR A CG    1 
ATOM   467  C  CD1   . TYR A 1 57  ? -2.50720  3.15550   8.94216   1.000 17.38630 ? 57  TYR A CD1   1 
ATOM   468  C  CD2   . TYR A 1 57  ? -1.38950  4.90152   10.12214  1.000 16.96024 ? 57  TYR A CD2   1 
ATOM   469  C  CE1   . TYR A 1 57  ? -1.93389  3.58337   7.75216   1.000 14.92436 ? 57  TYR A CE1   1 
ATOM   470  C  CE2   . TYR A 1 57  ? -0.81249  5.33259   8.93826   1.000 14.94806 ? 57  TYR A CE2   1 
ATOM   471  C  CZ    . TYR A 1 57  ? -1.08807  4.66977   7.75878   1.000 21.24428 ? 57  TYR A CZ    1 
ATOM   472  O  OH    . TYR A 1 57  ? -0.51118  5.09799   6.57935   1.000 14.84190 ? 57  TYR A OH    1 
ATOM   473  N  N     . TRP A 1 58  ? -5.56447  1.64252   12.58527  1.000 16.53465 ? 58  TRP A N     1 
ATOM   474  C  CA    . TRP A 1 58  ? -6.17718  0.97582   13.72031  1.000 17.08310 ? 58  TRP A CA    1 
ATOM   475  C  C     . TRP A 1 58  ? -5.16410  0.07689   14.40566  1.000 19.60217 ? 58  TRP A C     1 
ATOM   476  O  O     . TRP A 1 58  ? -4.39319  -0.62445  13.74587  1.000 16.11296 ? 58  TRP A O     1 
ATOM   477  C  CB    . TRP A 1 58  ? -7.37105  0.13094   13.28513  1.000 19.43457 ? 58  TRP A CB    1 
ATOM   478  C  CG    . TRP A 1 58  ? -8.57087  0.89590   12.87135  1.000 19.91055 ? 58  TRP A CG    1 
ATOM   479  C  CD1   . TRP A 1 58  ? -8.84675  1.39540   11.62953  1.000 18.55437 ? 58  TRP A CD1   1 
ATOM   480  C  CD2   . TRP A 1 58  ? -9.69045  1.22189   13.69655  1.000 13.61467 ? 58  TRP A CD2   1 
ATOM   481  N  NE1   . TRP A 1 58  ? -10.07141 2.02506   11.63777  1.000 19.04947 ? 58  TRP A NE1   1 
ATOM   482  C  CE2   . TRP A 1 58  ? -10.60941 1.92775   12.89599  1.000 20.06690 ? 58  TRP A CE2   1 
ATOM   483  C  CE3   . TRP A 1 58  ? -10.00269 0.98904   15.03849  1.000 18.92058 ? 58  TRP A CE3   1 
ATOM   484  C  CZ2   . TRP A 1 58  ? -11.81906 2.40149   13.39479  1.000 18.95609 ? 58  TRP A CZ2   1 
ATOM   485  C  CZ3   . TRP A 1 58  ? -11.20370 1.45752   15.52772  1.000 20.93894 ? 58  TRP A CZ3   1 
ATOM   486  C  CH2   . TRP A 1 58  ? -12.09649 2.15136   14.70949  1.000 18.79161 ? 58  TRP A CH2   1 
ATOM   487  N  N     . TYR A 1 59  ? -5.20264  0.07541   15.73286  1.000 14.50985 ? 59  TYR A N     1 
ATOM   488  C  CA    . TYR A 1 59  ? -4.40857  -0.82113  16.54683  1.000 16.79229 ? 59  TYR A CA    1 
ATOM   489  C  C     . TYR A 1 59  ? -5.30482  -1.48586  17.58419  1.000 21.26267 ? 59  TYR A C     1 
ATOM   490  O  O     . TYR A 1 59  ? -6.31072  -0.91860  18.01710  1.000 19.11668 ? 59  TYR A O     1 
ATOM   491  C  CB    . TYR A 1 59  ? -3.24767  -0.08033  17.23129  1.000 14.56904 ? 59  TYR A CB    1 
ATOM   492  C  CG    . TYR A 1 59  ? -2.22332  0.48259   16.26753  1.000 18.84178 ? 59  TYR A CG    1 
ATOM   493  C  CD1   . TYR A 1 59  ? -2.42179  1.70656   15.63600  1.000 19.33215 ? 59  TYR A CD1   1 
ATOM   494  C  CD2   . TYR A 1 59  ? -1.05306  -0.21014  15.99600  1.000 17.86302 ? 59  TYR A CD2   1 
ATOM   495  C  CE1   . TYR A 1 59  ? -1.47631  2.21761   14.74959  1.000 19.09087 ? 59  TYR A CE1   1 
ATOM   496  C  CE2   . TYR A 1 59  ? -0.10124  0.29465   15.11917  1.000 23.44685 ? 59  TYR A CE2   1 
ATOM   497  C  CZ    . TYR A 1 59  ? -0.31942  1.50676   14.50056  1.000 24.06339 ? 59  TYR A CZ    1 
ATOM   498  O  OH    . TYR A 1 59  ? 0.62455   2.00212   13.62737  1.000 25.41972 ? 59  TYR A OH    1 
ATOM   499  N  N     . LYS A 1 60  ? -4.94051  -2.70210  17.97199  1.000 16.99445 ? 60  LYS A N     1 
ATOM   500  C  CA    . LYS A 1 60  ? -5.35614  -3.26001  19.25185  1.000 17.88110 ? 60  LYS A CA    1 
ATOM   501  C  C     . LYS A 1 60  ? -4.25383  -2.99876  20.27008  1.000 21.94335 ? 60  LYS A C     1 
ATOM   502  O  O     . LYS A 1 60  ? -3.09798  -3.37923  20.05133  1.000 24.24035 ? 60  LYS A O     1 
ATOM   503  C  CB    . LYS A 1 60  ? -5.64512  -4.75585  19.12451  1.000 17.66388 ? 60  LYS A CB    1 
ATOM   504  C  CG    . LYS A 1 60  ? -5.89425  -5.45844  20.45564  1.000 21.45042 ? 60  LYS A CG    1 
ATOM   505  C  CD    . LYS A 1 60  ? -7.28366  -5.14520  20.99241  1.000 27.64743 ? 60  LYS A CD    1 
ATOM   506  C  CE    . LYS A 1 60  ? -7.33544  -5.28598  22.50947  1.000 27.98454 ? 60  LYS A CE    1 
ATOM   507  N  NZ    . LYS A 1 60  ? -8.67077  -4.96166  23.08934  1.000 29.33033 ? 60  LYS A NZ    1 
ATOM   508  N  N     . LEU A 1 61  ? -4.60212  -2.34027  21.36919  1.000 20.12506 ? 61  LEU A N     1 
ATOM   509  C  CA    . LEU A 1 61  ? -3.66511  -2.14591  22.46625  1.000 20.41049 ? 61  LEU A CA    1 
ATOM   510  C  C     . LEU A 1 61  ? -3.84259  -3.25456  23.49195  1.000 27.14846 ? 61  LEU A C     1 
ATOM   511  O  O     . LEU A 1 61  ? -4.95829  -3.51146  23.95017  1.000 27.70321 ? 61  LEU A O     1 
ATOM   512  C  CB    . LEU A 1 61  ? -3.86952  -0.78128  23.12404  1.000 20.96969 ? 61  LEU A CB    1 
ATOM   513  C  CG    . LEU A 1 61  ? -3.83567  0.40799   22.17239  1.000 21.06359 ? 61  LEU A CG    1 
ATOM   514  C  CD1   . LEU A 1 61  ? -4.18161  1.69246   22.89844  1.000 23.95432 ? 61  LEU A CD1   1 
ATOM   515  C  CD2   . LEU A 1 61  ? -2.45805  0.49661   21.52942  1.000 21.67583 ? 61  LEU A CD2   1 
ATOM   516  N  N     . GLU A 1 62  ? -2.74128  -3.90319  23.85165  1.000 27.34820 ? 62  GLU A N     1 
ATOM   517  C  CA    . GLU A 1 62  ? -2.67768  -4.75033  25.02941  1.000 32.50247 ? 62  GLU A CA    1 
ATOM   518  C  C     . GLU A 1 62  ? -1.60133  -4.22774  25.96966  1.000 36.25209 ? 62  GLU A C     1 
ATOM   519  O  O     . GLU A 1 62  ? -0.57083  -3.70655  25.53313  1.000 28.12024 ? 62  GLU A O     1 
ATOM   520  C  CB    . GLU A 1 62  ? -2.37171  -6.20385  24.64804  1.000 33.51803 ? 62  GLU A CB    1 
ATOM   521  C  CG    . GLU A 1 62  ? -3.37245  -6.83460  23.68131  1.000 33.62474 ? 62  GLU A CG    1 
ATOM   522  C  CD    . GLU A 1 62  ? -4.64972  -7.31801  24.35224  1.000 43.34479 ? 62  GLU A CD    1 
ATOM   523  O  OE1   . GLU A 1 62  ? -4.74266  -7.26884  25.59875  1.000 38.39750 ? 62  GLU A OE1   1 
ATOM   524  O  OE2   . GLU A 1 62  ? -5.55838  -7.77542  23.62538  1.000 44.32705 ? 62  GLU A OE2   1 
ATOM   525  N  N     . LYS A 1 63  ? -1.84085  -4.38455  27.26640  1.000 29.37514 ? 63  LYS A N     1 
ATOM   526  C  CA    . LYS A 1 63  ? -0.83448  -4.13775  28.29357  1.000 37.97997 ? 63  LYS A CA    1 
ATOM   527  C  C     . LYS A 1 63  ? -0.42459  -5.49390  28.84648  1.000 39.16813 ? 63  LYS A C     1 
ATOM   528  O  O     . LYS A 1 63  ? -1.24306  -6.18700  29.46120  1.000 41.11246 ? 63  LYS A O     1 
ATOM   529  C  CB    . LYS A 1 63  ? -1.38416  -3.23636  29.39970  1.000 39.34435 ? 63  LYS A CB    1 
ATOM   530  C  CG    . LYS A 1 63  ? -1.49021  -1.77085  29.00109  1.000 43.65726 ? 63  LYS A CG    1 
ATOM   531  C  CD    . LYS A 1 63  ? -0.70768  -0.85135  29.92031  1.000 56.32232 ? 63  LYS A CD    1 
ATOM   532  C  CE    . LYS A 1 63  ? -1.18462  0.58571   29.76979  1.000 52.86723 ? 63  LYS A CE    1 
ATOM   533  N  NZ    . LYS A 1 63  ? -0.07887  1.52118   29.38764  1.000 54.06668 ? 63  LYS A NZ    1 
ATOM   534  N  N     . ILE A 1 64  ? 0.82405   -5.89634  28.60198  1.000 38.70497 ? 64  ILE A N     1 
ATOM   535  C  CA    . ILE A 1 64  ? 1.38366   -7.09881  29.21376  1.000 47.26495 ? 64  ILE A CA    1 
ATOM   536  C  C     . ILE A 1 64  ? 2.65826   -6.71262  29.96584  1.000 40.16507 ? 64  ILE A C     1 
ATOM   537  O  O     . ILE A 1 64  ? 3.51033   -5.98636  29.43729  1.000 48.59809 ? 64  ILE A O     1 
ATOM   538  C  CB    . ILE A 1 64  ? 1.59609   -8.23835  28.17775  1.000 52.97386 ? 64  ILE A CB    1 
ATOM   539  C  CG1   . ILE A 1 64  ? 2.82918   -8.08766  27.27238  1.000 44.48830 ? 64  ILE A CG1   1 
ATOM   540  C  CG2   . ILE A 1 64  ? 0.35983   -8.43075  27.28851  1.000 42.56569 ? 64  ILE A CG2   1 
ATOM   541  C  CD1   . ILE A 1 64  ? 4.05655   -8.87066  27.74587  1.000 51.89252 ? 64  ILE A CD1   1 
ATOM   542  N  N     . GLY A 1 65  ? 2.74660   -7.14477  31.22076  1.000 42.67814 ? 65  GLY A N     1 
ATOM   543  C  CA    . GLY A 1 65  ? 3.94722   -6.96085  32.02635  1.000 50.85822 ? 65  GLY A CA    1 
ATOM   544  C  C     . GLY A 1 65  ? 4.28992   -5.51663  32.32315  1.000 48.93475 ? 65  GLY A C     1 
ATOM   545  O  O     . GLY A 1 65  ? 5.47427   -5.16571  32.39678  1.000 54.73773 ? 65  GLY A O     1 
ATOM   546  N  N     . GLY A 1 66  ? 3.27826   -4.66392  32.48775  1.000 50.32219 ? 66  GLY A N     1 
ATOM   547  C  CA    . GLY A 1 66  ? 3.46758   -3.23253  32.55868  1.000 48.84483 ? 66  GLY A CA    1 
ATOM   548  C  C     . GLY A 1 66  ? 3.47954   -2.52516  31.21790  1.000 51.39507 ? 66  GLY A C     1 
ATOM   549  O  O     . GLY A 1 66  ? 3.06962   -1.36199  31.13716  1.000 55.05800 ? 66  GLY A O     1 
ATOM   550  N  N     . LYS A 1 67  ? 3.95983   -3.18839  30.16909  1.000 47.87504 ? 67  LYS A N     1 
ATOM   551  C  CA    . LYS A 1 67  ? 4.33674   -2.51170  28.93824  1.000 35.97426 ? 67  LYS A CA    1 
ATOM   552  C  C     . LYS A 1 67  ? 3.20104   -2.53787  27.92628  1.000 35.54639 ? 67  LYS A C     1 
ATOM   553  O  O     . LYS A 1 67  ? 2.56914   -3.57402  27.70123  1.000 35.10321 ? 67  LYS A O     1 
ATOM   554  C  CB    . LYS A 1 67  ? 5.59440   -3.13329  28.33233  1.000 43.06082 ? 67  LYS A CB    1 
ATOM   555  C  CG    . LYS A 1 67  ? 6.85930   -2.77612  29.08607  1.000 41.89522 ? 67  LYS A CG    1 
ATOM   556  C  CD    . LYS A 1 67  ? 7.71243   -3.98349  29.40212  1.000 45.56850 ? 67  LYS A CD    1 
ATOM   557  C  CE    . LYS A 1 67  ? 9.01983   -3.54694  30.03627  1.000 48.22042 ? 67  LYS A CE    1 
ATOM   558  N  NZ    . LYS A 1 67  ? 9.92244   -2.90321  29.03312  1.000 57.52096 ? 67  LYS A NZ    1 
ATOM   559  N  N     . LEU A 1 68  ? 2.95079   -1.38256  27.31916  1.000 35.55483 ? 68  LEU A N     1 
ATOM   560  C  CA    . LEU A 1 68  ? 1.93974   -1.27160  26.27942  1.000 34.35645 ? 68  LEU A CA    1 
ATOM   561  C  C     . LEU A 1 68  ? 2.41453   -1.95075  24.99927  1.000 30.22042 ? 68  LEU A C     1 
ATOM   562  O  O     . LEU A 1 68  ? 3.58414   -1.85603  24.62420  1.000 30.49073 ? 68  LEU A O     1 
ATOM   563  C  CB    . LEU A 1 68  ? 1.63392   0.20091   26.02393  1.000 28.60965 ? 68  LEU A CB    1 
ATOM   564  C  CG    . LEU A 1 68  ? 0.62387   0.58146   24.95042  1.000 28.23007 ? 68  LEU A CG    1 
ATOM   565  C  CD1   . LEU A 1 68  ? -0.71959  -0.04276  25.26225  1.000 31.79119 ? 68  LEU A CD1   1 
ATOM   566  C  CD2   . LEU A 1 68  ? 0.52329   2.08880   24.90229  1.000 31.63796 ? 68  LEU A CD2   1 
ATOM   567  N  N     . LYS A 1 69  ? 1.50746   -2.65701  24.33472  1.000 24.25454 ? 69  LYS A N     1 
ATOM   568  C  CA    . LYS A 1 69  ? 1.81200   -3.32462  23.07712  1.000 23.27202 ? 69  LYS A CA    1 
ATOM   569  C  C     . LYS A 1 69  ? 0.83588   -2.86324  22.00974  1.000 25.05711 ? 69  LYS A C     1 
ATOM   570  O  O     . LYS A 1 69  ? -0.36540  -2.74186  22.26653  1.000 27.27582 ? 69  LYS A O     1 
ATOM   571  C  CB    . LYS A 1 69  ? 1.74279   -4.85252  23.21517  1.000 26.57377 ? 69  LYS A CB    1 
ATOM   572  C  CG    . LYS A 1 69  ? 2.58287   -5.41395  24.34474  1.000 32.85874 ? 69  LYS A CG    1 
ATOM   573  C  CD    . LYS A 1 69  ? 4.05702   -5.14441  24.10806  1.000 34.20208 ? 69  LYS A CD    1 
ATOM   574  C  CE    . LYS A 1 69  ? 4.90937   -5.85360  25.14026  1.000 36.45493 ? 69  LYS A CE    1 
ATOM   575  N  NZ    . LYS A 1 69  ? 6.13436   -5.08591  25.50516  1.000 35.57905 ? 69  LYS A NZ    1 
ATOM   576  N  N     . TRP A 1 70  ? 1.36074   -2.61405  20.81199  1.000 20.72172 ? 70  TRP A N     1 
ATOM   577  C  CA    . TRP A 1 70  ? 0.59009   -2.08074  19.69632  1.000 23.13985 ? 70  TRP A CA    1 
ATOM   578  C  C     . TRP A 1 70  ? 0.46353   -3.18020  18.65015  1.000 27.57514 ? 70  TRP A C     1 
ATOM   579  O  O     . TRP A 1 70  ? 1.46313   -3.59651  18.05456  1.000 24.55732 ? 70  TRP A O     1 
ATOM   580  C  CB    . TRP A 1 70  ? 1.26205   -0.83928  19.10910  1.000 22.72861 ? 70  TRP A CB    1 
ATOM   581  C  CG    . TRP A 1 70  ? 1.27067   0.32399   20.04229  1.000 22.47020 ? 70  TRP A CG    1 
ATOM   582  C  CD1   . TRP A 1 70  ? 2.01169   0.45887   21.18038  1.000 19.48683 ? 70  TRP A CD1   1 
ATOM   583  C  CD2   . TRP A 1 70  ? 0.48487   1.51030   19.93133  1.000 19.40983 ? 70  TRP A CD2   1 
ATOM   584  N  NE1   . TRP A 1 70  ? 1.74052   1.66327   21.77957  1.000 22.87420 ? 70  TRP A NE1   1 
ATOM   585  C  CE2   . TRP A 1 70  ? 0.80013   2.32492   21.03532  1.000 20.73022 ? 70  TRP A CE2   1 
ATOM   586  C  CE3   . TRP A 1 70  ? -0.45572  1.96439   19.00516  1.000 18.15752 ? 70  TRP A CE3   1 
ATOM   587  C  CZ2   . TRP A 1 70  ? 0.20578   3.56618   21.23882  1.000 22.63757 ? 70  TRP A CZ2   1 
ATOM   588  C  CZ3   . TRP A 1 70  ? -1.04530  3.19976   19.21055  1.000 23.57774 ? 70  TRP A CZ3   1 
ATOM   589  C  CH2   . TRP A 1 70  ? -0.70974  3.98596   20.31603  1.000 18.54717 ? 70  TRP A CH2   1 
ATOM   590  N  N     . ILE A 1 71  ? -0.75688  -3.64976  18.42394  1.000 18.15729 ? 71  ILE A N     1 
ATOM   591  C  CA    . ILE A 1 71  ? -1.02208  -4.65976  17.40872  1.000 20.49478 ? 71  ILE A CA    1 
ATOM   592  C  C     . ILE A 1 71  ? -1.70662  -3.95948  16.24958  1.000 20.36883 ? 71  ILE A C     1 
ATOM   593  O  O     . ILE A 1 71  ? -2.87295  -3.56486  16.35613  1.000 18.52615 ? 71  ILE A O     1 
ATOM   594  C  CB    . ILE A 1 71  ? -1.88509  -5.80985  17.94514  1.000 19.35657 ? 71  ILE A CB    1 
ATOM   595  C  CG1   . ILE A 1 71  ? -1.19527  -6.48226  19.13157  1.000 21.94875 ? 71  ILE A CG1   1 
ATOM   596  C  CG2   . ILE A 1 71  ? -2.15848  -6.81570  16.83319  1.000 22.54877 ? 71  ILE A CG2   1 
ATOM   597  C  CD1   . ILE A 1 71  ? -2.07557  -7.47464  19.85862  1.000 25.49180 ? 71  ILE A CD1   1 
ATOM   598  N  N     . TYR A 1 72  ? -0.98841  -3.81067  15.14023  1.000 19.08342 ? 72  TYR A N     1 
ATOM   599  C  CA    . TYR A 1 72  ? -1.54542  -3.15089  13.96886  1.000 19.54162 ? 72  TYR A CA    1 
ATOM   600  C  C     . TYR A 1 72  ? -2.71464  -3.95423  13.41344  1.000 13.45673 ? 72  TYR A C     1 
ATOM   601  O  O     . TYR A 1 72  ? -2.60487  -5.16139  13.19279  1.000 21.00860 ? 72  TYR A O     1 
ATOM   602  C  CB    . TYR A 1 72  ? -0.44938  -2.98516  12.91144  1.000 18.78609 ? 72  TYR A CB    1 
ATOM   603  C  CG    . TYR A 1 72  ? -0.87261  -2.22434  11.68815  1.000 17.75062 ? 72  TYR A CG    1 
ATOM   604  C  CD1   . TYR A 1 72  ? -0.86361  -0.83459  11.67027  1.000 15.10257 ? 72  TYR A CD1   1 
ATOM   605  C  CD2   . TYR A 1 72  ? -1.28342  -2.89697  10.54060  1.000 18.08084 ? 72  TYR A CD2   1 
ATOM   606  C  CE1   . TYR A 1 72  ? -1.25076  -0.13534  10.53692  1.000 14.20892 ? 72  TYR A CE1   1 
ATOM   607  C  CE2   . TYR A 1 72  ? -1.65634  -2.20828  9.40299   1.000 16.54261 ? 72  TYR A CE2   1 
ATOM   608  C  CZ    . TYR A 1 72  ? -1.64632  -0.83165  9.40754   1.000 17.60722 ? 72  TYR A CZ    1 
ATOM   609  O  OH    . TYR A 1 72  ? -2.03291  -0.15254  8.27461   1.000 19.00635 ? 72  TYR A OH    1 
ATOM   610  N  N     . LEU A 1 73  ? -3.84565  -3.28268  13.19771  1.000 17.75780 ? 73  LEU A N     1 
ATOM   611  C  CA    . LEU A 1 73  ? -5.00640  -3.92631  12.59650  1.000 18.09174 ? 73  LEU A CA    1 
ATOM   612  C  C     . LEU A 1 73  ? -5.23960  -3.52421  11.14941  1.000 24.26239 ? 73  LEU A C     1 
ATOM   613  O  O     . LEU A 1 73  ? -5.61508  -4.36988  10.33220  1.000 30.10984 ? 73  LEU A O     1 
ATOM   614  C  CB    . LEU A 1 73  ? -6.26654  -3.62410  13.40983  1.000 20.65675 ? 73  LEU A CB    1 
ATOM   615  C  CG    . LEU A 1 73  ? -6.16008  -3.98368  14.88902  1.000 16.66770 ? 73  LEU A CG    1 
ATOM   616  C  CD1   . LEU A 1 73  ? -7.45649  -3.63318  15.63578  1.000 19.92116 ? 73  LEU A CD1   1 
ATOM   617  C  CD2   . LEU A 1 73  ? -5.82610  -5.46327  15.03685  1.000 16.58118 ? 73  LEU A CD2   1 
ATOM   618  N  N     . GLY A 1 74  ? -5.02706  -2.26858  10.80455  1.000 17.68364 ? 74  GLY A N     1 
ATOM   619  C  CA    . GLY A 1 74  ? -5.13448  -1.86945  9.42334   1.000 20.48906 ? 74  GLY A CA    1 
ATOM   620  C  C     . GLY A 1 74  ? -5.83193  -0.53889  9.30988   1.000 15.21878 ? 74  GLY A C     1 
ATOM   621  O  O     . GLY A 1 74  ? -5.91474  0.22199   10.27264  1.000 19.15494 ? 74  GLY A O     1 
ATOM   622  N  N     . LYS A 1 75  ? -6.32577  -0.26835  8.10530   1.000 17.19646 ? 75  LYS A N     1 
ATOM   623  C  CA    . LYS A 1 75  ? -6.92412  1.01499   7.77683   1.000 21.76181 ? 75  LYS A CA    1 
ATOM   624  C  C     . LYS A 1 75  ? -8.44046  0.98012   7.80587   1.000 27.55097 ? 75  LYS A C     1 
ATOM   625  O  O     . LYS A 1 75  ? -9.07300  2.04142   7.80444   1.000 22.79343 ? 75  LYS A O     1 
ATOM   626  C  CB    . LYS A 1 75  ? -6.47265  1.46749   6.38918   1.000 18.04704 ? 75  LYS A CB    1 
ATOM   627  C  CG    . LYS A 1 75  ? -5.04925  1.98757   6.32614   1.000 20.78702 ? 75  LYS A CG    1 
ATOM   628  C  CD    . LYS A 1 75  ? -4.82826  2.66182   4.98471   1.000 27.56113 ? 75  LYS A CD    1 
ATOM   629  C  CE    . LYS A 1 75  ? -4.64998  1.61034   3.90548   1.000 33.19087 ? 75  LYS A CE    1 
ATOM   630  N  NZ    . LYS A 1 75  ? -4.84960  2.17299   2.54081   1.000 35.67108 ? 75  LYS A NZ    1 
ATOM   631  N  N     . THR A 1 76  ? -9.03355  -0.20432  7.81094   1.000 18.82622 ? 76  THR A N     1 
ATOM   632  C  CA    . THR A 1 76  ? -10.47685 -0.34882  7.80496   1.000 20.70960 ? 76  THR A CA    1 
ATOM   633  C  C     . THR A 1 76  ? -10.92323 -0.69084  9.21574   1.000 21.24827 ? 76  THR A C     1 
ATOM   634  O  O     . THR A 1 76  ? -10.15502 -1.25005  10.00363  1.000 17.72589 ? 76  THR A O     1 
ATOM   635  C  CB    . THR A 1 76  ? -10.92581 -1.43163  6.82157   1.000 30.60411 ? 76  THR A CB    1 
ATOM   636  O  OG1   . THR A 1 76  ? -10.51315 -2.71366  7.30339   1.000 44.86416 ? 76  THR A OG1   1 
ATOM   637  C  CG2   . THR A 1 76  ? -10.30727 -1.19402  5.44498   1.000 35.36788 ? 76  THR A CG2   1 
ATOM   638  N  N     . LYS A 1 77  ? -12.14577 -0.29792  9.54608   1.000 23.08956 ? 77  LYS A N     1 
ATOM   639  C  CA    . LYS A 1 77  ? -12.62517 -0.50049  10.89854  1.000 19.16626 ? 77  LYS A CA    1 
ATOM   640  C  C     . LYS A 1 77  ? -12.74952 -1.99929  11.17215  1.000 18.51524 ? 77  LYS A C     1 
ATOM   641  O  O     . LYS A 1 77  ? -13.13426 -2.76384  10.27932  1.000 20.99689 ? 77  LYS A O     1 
ATOM   642  C  CB    . LYS A 1 77  ? -13.95796 0.22777   11.10415  1.000 29.13161 ? 77  LYS A CB    1 
ATOM   643  C  CG    . LYS A 1 77  ? -15.12646 -0.35561  10.35470  1.000 26.04362 ? 77  LYS A CG    1 
ATOM   644  C  CD    . LYS A 1 77  ? -16.44048 0.05912   10.96889  1.000 28.61427 ? 77  LYS A CD    1 
ATOM   645  C  CE    . LYS A 1 77  ? -17.59724 -0.63590  10.29779  1.000 32.68642 ? 77  LYS A CE    1 
ATOM   646  N  NZ    . LYS A 1 77  ? -18.87389 0.09977   10.50534  1.000 25.49030 ? 77  LYS A NZ    1 
ATOM   647  N  N     . PRO A 1 78  ? -12.30193 -2.46640  12.34089  1.000 20.42722 ? 78  PRO A N     1 
ATOM   648  C  CA    . PRO A 1 78  ? -11.99057 -3.89225  12.50146  1.000 21.60300 ? 78  PRO A CA    1 
ATOM   649  C  C     . PRO A 1 78  ? -13.17450 -4.75286  12.90228  1.000 24.81188 ? 78  PRO A C     1 
ATOM   650  O  O     . PRO A 1 78  ? -13.08452 -5.98521  12.80918  1.000 22.87251 ? 78  PRO A O     1 
ATOM   651  C  CB    . PRO A 1 78  ? -10.93467 -3.88653  13.61747  1.000 24.77153 ? 78  PRO A CB    1 
ATOM   652  C  CG    . PRO A 1 78  ? -11.24414 -2.66438  14.40521  1.000 26.90949 ? 78  PRO A CG    1 
ATOM   653  C  CD    . PRO A 1 78  ? -11.71826 -1.64876  13.41586  1.000 21.15977 ? 78  PRO A CD    1 
ATOM   654  N  N     . ILE A 1 79  ? -14.26811 -4.14899  13.34895  1.000 25.27079 ? 79  ILE A N     1 
ATOM   655  C  CA    . ILE A 1 79  ? -15.48377 -4.86759  13.70629  1.000 25.01932 ? 79  ILE A CA    1 
ATOM   656  C  C     . ILE A 1 79  ? -16.61064 -4.29812  12.86539  1.000 29.11329 ? 79  ILE A C     1 
ATOM   657  O  O     . ILE A 1 79  ? -16.79912 -3.07935  12.82145  1.000 26.89347 ? 79  ILE A O     1 
ATOM   658  C  CB    . ILE A 1 79  ? -15.80029 -4.74130  15.20954  1.000 25.26803 ? 79  ILE A CB    1 
ATOM   659  C  CG1   . ILE A 1 79  ? -14.68851 -5.37212  16.05098  1.000 38.53605 ? 79  ILE A CG1   1 
ATOM   660  C  CG2   . ILE A 1 79  ? -17.15163 -5.36768  15.54374  1.000 25.27347 ? 79  ILE A CG2   1 
ATOM   661  C  CD1   . ILE A 1 79  ? -14.56312 -4.78039  17.44253  1.000 36.04108 ? 79  ILE A CD1   1 
ATOM   662  N  N     . GLN A 1 80  ? -17.34680 -5.16582  12.18633  1.000 30.28049 ? 80  GLN A N     1 
ATOM   663  C  CA    . GLN A 1 80  ? -18.48894 -4.67926  11.43668  1.000 28.99522 ? 80  GLN A CA    1 
ATOM   664  C  C     . GLN A 1 80  ? -19.59063 -4.26556  12.40454  1.000 37.13621 ? 80  GLN A C     1 
ATOM   665  O  O     . GLN A 1 80  ? -19.69774 -4.80015  13.51264  1.000 33.68385 ? 80  GLN A O     1 
ATOM   666  C  CB    . GLN A 1 80  ? -18.98370 -5.74656  10.46352  1.000 36.16209 ? 80  GLN A CB    1 
ATOM   667  C  CG    . GLN A 1 80  ? -17.93887 -6.13988  9.41594   1.000 32.22202 ? 80  GLN A CG    1 
ATOM   668  C  CD    . GLN A 1 80  ? -17.20669 -4.94905  8.80891   1.000 42.86920 ? 80  GLN A CD    1 
ATOM   669  O  OE1   . GLN A 1 80  ? -17.79407 -4.15235  8.07822   1.000 50.15759 ? 80  GLN A OE1   1 
ATOM   670  N  NE2   . GLN A 1 80  ? -15.91030 -4.82973  9.10732   1.000 34.29854 ? 80  GLN A NE2   1 
ATOM   671  N  N     . ASN A 1 81  ? -20.37326 -3.26634  11.98714  1.000 32.60186 ? 81  ASN A N     1 
ATOM   672  C  CA    . ASN A 1 81  ? -21.48381 -2.62749  12.69624  1.000 33.75120 ? 81  ASN A CA    1 
ATOM   673  C  C     . ASN A 1 81  ? -21.04206 -1.71163  13.83163  1.000 31.67810 ? 81  ASN A C     1 
ATOM   674  O  O     . ASN A 1 81  ? -21.90684 -1.10283  14.46396  1.000 32.42630 ? 81  ASN A O     1 
ATOM   675  C  CB    . ASN A 1 81  ? -22.50221 -3.62984  13.26959  1.000 38.20701 ? 81  ASN A CB    1 
ATOM   676  C  CG    . ASN A 1 81  ? -23.29882 -4.33545  12.19773  1.000 46.39283 ? 81  ASN A CG    1 
ATOM   677  O  OD1   . ASN A 1 81  ? -24.17962 -3.74509  11.57227  1.000 51.45102 ? 81  ASN A OD1   1 
ATOM   678  N  ND2   . ASN A 1 81  ? -22.98562 -5.60848  11.97090  1.000 43.15931 ? 81  ASN A ND2   1 
ATOM   679  N  N     . MET A 1 82  ? -19.74201 -1.56416  14.10305  1.000 32.01008 ? 82  MET A N     1 
ATOM   680  C  CA    . MET A 1 82  ? -19.33172 -0.54182  15.05511  1.000 30.46495 ? 82  MET A CA    1 
ATOM   681  C  C     . MET A 1 82  ? -19.54166 0.83067   14.41780  1.000 30.69904 ? 82  MET A C     1 
ATOM   682  O  O     . MET A 1 82  ? -19.68789 0.92996   13.19442  1.000 27.26885 ? 82  MET A O     1 
ATOM   683  C  CB    . MET A 1 82  ? -17.86671 -0.69821  15.47813  1.000 30.92283 ? 82  MET A CB    1 
ATOM   684  C  CG    . MET A 1 82  ? -16.82277 -0.41062  14.45044  1.000 31.43506 ? 82  MET A CG    1 
ATOM   685  S  SD    . MET A 1 82  ? -15.18929 -0.96456  14.98226  1.000 33.48297 ? 82  MET A SD    1 
ATOM   686  C  CE    . MET A 1 82  ? -15.04971 -0.05023  16.51575  1.000 24.94311 ? 82  MET A CE    1 
ATOM   687  N  N     . PRO A 1 83  ? -19.59165 1.90140   15.22343  1.000 28.96790 ? 83  PRO A N     1 
ATOM   688  C  CA    . PRO A 1 83  ? -19.67182 3.24803   14.63932  1.000 27.13028 ? 83  PRO A CA    1 
ATOM   689  C  C     . PRO A 1 83  ? -18.51129 3.54179   13.69922  1.000 24.61180 ? 83  PRO A C     1 
ATOM   690  O  O     . PRO A 1 83  ? -17.37923 3.09855   13.90448  1.000 23.45662 ? 83  PRO A O     1 
ATOM   691  C  CB    . PRO A 1 83  ? -19.65724 4.17107   15.86275  1.000 29.52832 ? 83  PRO A CB    1 
ATOM   692  C  CG    . PRO A 1 83  ? -20.22975 3.34738   16.95807  1.000 29.46667 ? 83  PRO A CG    1 
ATOM   693  C  CD    . PRO A 1 83  ? -19.83545 1.92487   16.68075  1.000 31.46400 ? 83  PRO A CD    1 
ATOM   694  N  N     . ASN A 1 84  ? -18.82365 4.23846   12.64053  1.000 25.33963 ? 84  ASN A N     1 
ATOM   695  C  CA    . ASN A 1 84  ? -17.85401 4.47889   11.58870  1.000 23.52524 ? 84  ASN A CA    1 
ATOM   696  C  C     . ASN A 1 84  ? -16.93432 5.63451   11.97458  1.000 22.86534 ? 84  ASN A C     1 
ATOM   697  O  O     . ASN A 1 84  ? -17.39557 6.62485   12.55491  1.000 23.75964 ? 84  ASN A O     1 
ATOM   698  C  CB    . ASN A 1 84  ? -18.57564 4.77163   10.27522  1.000 28.53567 ? 84  ASN A CB    1 
ATOM   699  C  CG    . ASN A 1 84  ? -19.21645 3.53291   9.69584   1.000 32.94652 ? 84  ASN A CG    1 
ATOM   700  O  OD1   . ASN A 1 84  ? -18.61391 2.45657   9.70310   1.000 34.83332 ? 84  ASN A OD1   1 
ATOM   701  N  ND2   . ASN A 1 84  ? -20.44153 3.66433   9.21374   1.000 30.28705 ? 84  ASN A ND2   1 
ATOM   702  N  N     . PRO A 1 85  ? -15.64309 5.53237   11.66117  1.000 19.35618 ? 85  PRO A N     1 
ATOM   703  C  CA    . PRO A 1 85  ? -14.69341 6.57794   12.03926  1.000 21.04074 ? 85  PRO A CA    1 
ATOM   704  C  C     . PRO A 1 85  ? -14.95497 7.85082   11.25566  1.000 23.88666 ? 85  PRO A C     1 
ATOM   705  O  O     . PRO A 1 85  ? -15.64141 7.81304   10.22304  1.000 24.49170 ? 85  PRO A O     1 
ATOM   706  C  CB    . PRO A 1 85  ? -13.33032 5.95994   11.67736  1.000 21.09614 ? 85  PRO A CB    1 
ATOM   707  C  CG    . PRO A 1 85  ? -13.59912 4.93509   10.65683  1.000 24.26763 ? 85  PRO A CG    1 
ATOM   708  C  CD    . PRO A 1 85  ? -15.05780 4.56901   10.70738  1.000 29.76573 ? 85  PRO A CD    1 
ATOM   709  N  N     . PRO A 1 86  ? -14.46955 9.00117   11.72495  1.000 24.87732 ? 86  PRO A N     1 
ATOM   710  C  CA    . PRO A 1 86  ? -14.79138 10.25350  11.03394  1.000 28.73722 ? 86  PRO A CA    1 
ATOM   711  C  C     . PRO A 1 86  ? -14.08970 10.34884  9.68837   1.000 26.07773 ? 86  PRO A C     1 
ATOM   712  O  O     . PRO A 1 86  ? -13.02410 9.76689   9.47066   1.000 26.43598 ? 86  PRO A O     1 
ATOM   713  C  CB    . PRO A 1 86  ? -14.30366 11.33694  12.00412  1.000 33.06916 ? 86  PRO A CB    1 
ATOM   714  C  CG    . PRO A 1 86  ? -13.26153 10.69069  12.81594  1.000 22.09770 ? 86  PRO A CG    1 
ATOM   715  C  CD    . PRO A 1 86  ? -13.58961 9.22594   12.89126  1.000 23.25550 ? 86  PRO A CD    1 
ATOM   716  N  N     . GLN A 1 87  ? -14.71907 11.08358  8.77409   1.000 30.73825 ? 87  GLN A N     1 
ATOM   717  C  CA    . GLN A 1 87  ? -14.10330 11.40246  7.49175   1.000 34.23161 ? 87  GLN A CA    1 
ATOM   718  C  C     . GLN A 1 87  ? -12.95009 12.36921  7.72089   1.000 31.44794 ? 87  GLN A C     1 
ATOM   719  O  O     . GLN A 1 87  ? -13.16773 13.55234  7.99917   1.000 32.42345 ? 87  GLN A O     1 
ATOM   720  C  CB    . GLN A 1 87  ? -15.13555 12.00177  6.54108   1.000 45.49729 ? 87  GLN A CB    1 
ATOM   721  C  CG    . GLN A 1 87  ? -15.56384 11.08906  5.39366   1.000 57.26417 ? 87  GLN A CG    1 
ATOM   722  C  CD    . GLN A 1 87  ? -16.44080 9.93575   5.84499   1.000 58.33227 ? 87  GLN A CD    1 
ATOM   723  O  OE1   . GLN A 1 87  ? -17.21885 10.06581  6.79067   1.000 67.77207 ? 87  GLN A OE1   1 
ATOM   724  N  NE2   . GLN A 1 87  ? -16.33225 8.80295   5.15618   1.000 57.99313 ? 87  GLN A NE2   1 
ATOM   725  N  N     . ILE A 1 88  ? -11.72498 11.86944  7.61256   1.000 29.23249 ? 88  ILE A N     1 
ATOM   726  C  CA    . ILE A 1 88  ? -10.53873 12.71989  7.60469   1.000 28.71440 ? 88  ILE A CA    1 
ATOM   727  C  C     . ILE A 1 88  ? -10.06456 12.83442  6.16055   1.000 29.67045 ? 88  ILE A C     1 
ATOM   728  O  O     . ILE A 1 88  ? -10.15299 11.85263  5.40834   1.000 36.24645 ? 88  ILE A O     1 
ATOM   729  C  CB    . ILE A 1 88  ? -9.44815  12.15334  8.52820   1.000 29.52825 ? 88  ILE A CB    1 
ATOM   730  C  CG1   . ILE A 1 88  ? -10.06460 11.74719  9.86975   1.000 30.62012 ? 88  ILE A CG1   1 
ATOM   731  C  CG2   . ILE A 1 88  ? -8.30029  13.14885  8.71427   1.000 33.60215 ? 88  ILE A CG2   1 
ATOM   732  C  CD1   . ILE A 1 88  ? -10.22344 12.88441  10.85459  1.000 26.83660 ? 88  ILE A CD1   1 
ATOM   733  N  N     . PRO A 1 89  ? -9.59649  14.00216  5.72063   1.000 36.04932 ? 89  PRO A N     1 
ATOM   734  C  CA    . PRO A 1 89  ? -8.87004  14.07482  4.44647   1.000 39.54138 ? 89  PRO A CA    1 
ATOM   735  C  C     . PRO A 1 89  ? -7.66913  13.13867  4.42588   1.000 45.37426 ? 89  PRO A C     1 
ATOM   736  O  O     . PRO A 1 89  ? -6.93883  13.00767  5.41019   1.000 47.34680 ? 89  PRO A O     1 
ATOM   737  C  CB    . PRO A 1 89  ? -8.44261  15.54289  4.37363   1.000 43.88895 ? 89  PRO A CB    1 
ATOM   738  C  CG    . PRO A 1 89  ? -9.50286  16.26354  5.13158   1.000 40.73540 ? 89  PRO A CG    1 
ATOM   739  C  CD    . PRO A 1 89  ? -9.88008  15.34162  6.26752   1.000 38.73888 ? 89  PRO A CD    1 
ATOM   740  N  N     . GLU A 1 90  ? -7.48320  12.46745  3.29123   1.000 45.90821 ? 90  GLU A N     1 
ATOM   741  C  CA    . GLU A 1 90  ? -6.47209  11.42851  3.16672   1.000 50.43769 ? 90  GLU A CA    1 
ATOM   742  C  C     . GLU A 1 90  ? -5.09668  12.02061  2.87528   1.000 51.38341 ? 90  GLU A C     1 
ATOM   743  O  O     . GLU A 1 90  ? -4.08786  11.31113  2.97416   1.000 54.31455 ? 90  GLU A O     1 
ATOM   744  C  CB    . GLU A 1 90  ? -6.90384  10.43183  2.07151   1.000 54.98536 ? 90  GLU A CB    1 
ATOM   745  C  CG    . GLU A 1 90  ? -6.06148  9.16666   1.91568   1.000 52.88600 ? 90  GLU A CG    1 
ATOM   746  C  CD    . GLU A 1 90  ? -6.91173  7.92208   1.74483   1.000 56.68030 ? 90  GLU A CD    1 
ATOM   747  O  OE1   . GLU A 1 90  ? -7.66889  7.84567   0.75444   1.000 68.61747 ? 90  GLU A OE1   1 
ATOM   748  O  OE2   . GLU A 1 90  ? -6.83990  7.02588   2.61034   1.000 59.67942 ? 90  GLU A OE2   1 
ATOM   749  N  N     . SER A 1 91  ? -5.03814  13.32149  2.59363   1.000 43.82970 ? 91  SER A N     1 
ATOM   750  C  CA    . SER A 1 91  ? -3.98517  13.92115  1.79101   1.000 47.02409 ? 91  SER A CA    1 
ATOM   751  C  C     . SER A 1 91  ? -2.66021  13.94993  2.54975   1.000 42.25156 ? 91  SER A C     1 
ATOM   752  O  O     . SER A 1 91  ? -2.61350  13.85211  3.78005   1.000 35.35893 ? 91  SER A O     1 
ATOM   753  C  CB    . SER A 1 91  ? -4.37763  15.33950  1.38105   1.000 47.67150 ? 91  SER A CB    1 
ATOM   754  O  OG    . SER A 1 91  ? -3.99196  16.27558  2.37453   1.000 50.09145 ? 91  SER A OG    1 
ATOM   755  N  N     . THR A 1 92  ? -1.57500  14.07631  1.78298   1.000 38.12398 ? 92  THR A N     1 
ATOM   756  C  CA    . THR A 1 92  ? -0.22435  14.04725  2.33321   1.000 36.95622 ? 92  THR A CA    1 
ATOM   757  C  C     . THR A 1 92  ? -0.00139  15.22045  3.28070   1.000 36.38559 ? 92  THR A C     1 
ATOM   758  O  O     . THR A 1 92  ? -0.34039  16.36476  2.96562   1.000 37.97474 ? 92  THR A O     1 
ATOM   759  C  CB    . THR A 1 92  ? 0.80210   14.08169  1.19330   1.000 38.91878 ? 92  THR A CB    1 
ATOM   760  O  OG1   . THR A 1 92  ? 0.58662   12.96950  0.31513   1.000 39.93919 ? 92  THR A OG1   1 
ATOM   761  C  CG2   . THR A 1 92  ? 2.22339   14.01977  1.73025   1.000 38.10649 ? 92  THR A CG2   1 
ATOM   762  N  N     . ILE A 1 93  ? 0.55157   14.92611  4.45549   1.000 34.42624 ? 93  ILE A N     1 
ATOM   763  C  CA    . ILE A 1 93  ? 0.99022   15.93838  5.40975   1.000 34.15134 ? 93  ILE A CA    1 
ATOM   764  C  C     . ILE A 1 93  ? 2.43122   15.62664  5.78378   1.000 33.67703 ? 93  ILE A C     1 
ATOM   765  O  O     . ILE A 1 93  ? 2.72269   14.53378  6.28635   1.000 32.39878 ? 93  ILE A O     1 
ATOM   766  C  CB    . ILE A 1 93  ? 0.10391   15.97302  6.66703   1.000 32.71064 ? 93  ILE A CB    1 
ATOM   767  C  CG1   . ILE A 1 93  ? -1.35222  16.27448  6.30115   1.000 33.60473 ? 93  ILE A CG1   1 
ATOM   768  C  CG2   . ILE A 1 93  ? 0.63191   16.99620  7.66234   1.000 32.91565 ? 93  ILE A CG2   1 
ATOM   769  C  CD1   . ILE A 1 93  ? -2.32113  16.13933  7.45793   1.000 32.23873 ? 93  ILE A CD1   1 
ATOM   770  N  N     . ILE A 1 94  ? 3.33246   16.57328  5.52581   1.000 34.89922 ? 94  ILE A N     1 
ATOM   771  C  CA    . ILE A 1 94  ? 4.74809   16.41581  5.83377   1.000 34.95981 ? 94  ILE A CA    1 
ATOM   772  C  C     . ILE A 1 94  ? 5.19068   17.61520  6.65575   1.000 35.24434 ? 94  ILE A C     1 
ATOM   773  O  O     . ILE A 1 94  ? 5.07689   18.75492  6.19710   1.000 36.34946 ? 94  ILE A O     1 
ATOM   774  C  CB    . ILE A 1 94  ? 5.61427   16.29193  4.56392   1.000 36.47147 ? 94  ILE A CB    1 
ATOM   775  C  CG1   . ILE A 1 94  ? 5.14280   15.13811  3.68077   1.000 38.58657 ? 94  ILE A CG1   1 
ATOM   776  C  CG2   . ILE A 1 94  ? 7.06451   16.06615  4.94120   1.000 36.83036 ? 94  ILE A CG2   1 
ATOM   777  C  CD1   . ILE A 1 94  ? 5.74801   15.15727  2.28881   1.000 38.78199 ? 94  ILE A CD1   1 
ATOM   778  N  N     . LYS A 1 95  ? 5.72647   17.36319  7.84634   1.000 34.87746 ? 95  LYS A N     1 
ATOM   779  C  CA    . LYS A 1 95  ? 6.36464   18.40345  8.64439   1.000 37.21848 ? 95  LYS A CA    1 
ATOM   780  C  C     . LYS A 1 95  ? 7.85310   18.44962  8.33498   1.000 37.29152 ? 95  LYS A C     1 
ATOM   781  O  O     . LYS A 1 95  ? 8.56585   17.46005  8.53295   1.000 36.24452 ? 95  LYS A O     1 
ATOM   782  C  CB    . LYS A 1 95  ? 6.15054   18.18090  10.13892  1.000 35.99053 ? 95  LYS A CB    1 
ATOM   783  C  CG    . LYS A 1 95  ? 5.97707   19.48681  10.90069  1.000 39.92938 ? 95  LYS A CG    1 
ATOM   784  C  CD    . LYS A 1 95  ? 5.87564   19.26730  12.39631  1.000 46.43235 ? 95  LYS A CD    1 
ATOM   785  C  CE    . LYS A 1 95  ? 5.27764   20.47795  13.07975  1.000 52.94888 ? 95  LYS A CE    1 
ATOM   786  N  NZ    . LYS A 1 95  ? 6.31208   21.52097  13.28362  1.000 57.02228 ? 95  LYS A NZ    1 
ATOM   787  N  N     . GLU A 1 96  ? 8.31207   19.60135  7.85504   1.000 37.50572 ? 96  GLU A N     1 
ATOM   788  C  CA    . GLU A 1 96  ? 9.72621   19.93867  7.78908   1.000 48.29559 ? 96  GLU A CA    1 
ATOM   789  C  C     . GLU A 1 96  ? 9.91325   21.37263  8.26284   1.000 51.33108 ? 96  GLU A C     1 
ATOM   790  O  O     . GLU A 1 96  ? 9.22647   22.27639  7.77620   1.000 47.68591 ? 96  GLU A O     1 
ATOM   791  C  CB    . GLU A 1 96  ? 10.24514  19.77271  6.36000   1.000 46.51323 ? 96  GLU A CB    1 
ATOM   792  C  CG    . GLU A 1 96  ? 11.56066  19.03470  6.22894   1.000 54.28196 ? 96  GLU A CG    1 
ATOM   793  C  CD    . GLU A 1 96  ? 11.93687  18.82218  4.77480   1.000 60.31293 ? 96  GLU A CD    1 
ATOM   794  O  OE1   . GLU A 1 96  ? 11.23349  19.38173  3.90291   1.000 66.69049 ? 96  GLU A OE1   1 
ATOM   795  O  OE2   . GLU A 1 96  ? 12.93016  18.11531  4.49775   1.000 63.07371 ? 96  GLU A OE2   1 
ATOM   796  N  N     . ASP A 1 97  ? 10.84086  21.57650  9.20503   1.000 58.62801 ? 97  ASP A N     1 
ATOM   797  C  CA    . ASP A 1 97  ? 11.43087  22.89412  9.48751   1.000 54.83939 ? 97  ASP A CA    1 
ATOM   798  C  C     . ASP A 1 97  ? 10.37433  23.89671  9.95727   1.000 48.23717 ? 97  ASP A C     1 
ATOM   799  O  O     . ASP A 1 97  ? 10.21149  24.97841  9.38384   1.000 65.03299 ? 97  ASP A O     1 
ATOM   800  C  CB    . ASP A 1 97  ? 12.20985  23.42448  8.28328   1.000 50.35875 ? 97  ASP A CB    1 
ATOM   801  C  CG    . ASP A 1 97  ? 13.43169  22.55888  7.94802   1.000 58.75161 ? 97  ASP A CG    1 
ATOM   802  O  OD1   . ASP A 1 97  ? 14.19246  22.23904  8.88192   1.000 69.43741 ? 97  ASP A OD1   1 
ATOM   803  O  OD2   . ASP A 1 97  ? 13.62524  22.21681  6.76415   1.000 61.62664 ? 97  ASP A OD2   1 
ATOM   804  N  N     . ASN A 1 98  ? 9.64308   23.50222  11.01327  1.000 61.50611 ? 98  ASN A N     1 
ATOM   805  C  CA    . ASN A 1 98  ? 8.40792   24.10533  11.53620  1.000 60.76642 ? 98  ASN A CA    1 
ATOM   806  C  C     . ASN A 1 98  ? 7.45250   24.59557  10.45019  1.000 54.52176 ? 98  ASN A C     1 
ATOM   807  O  O     . ASN A 1 98  ? 6.81899   25.64008  10.61401  1.000 56.18541 ? 98  ASN A O     1 
ATOM   808  C  CB    . ASN A 1 98  ? 8.71615   25.24599  12.52937  1.000 60.20700 ? 98  ASN A CB    1 
ATOM   809  C  CG    . ASN A 1 98  ? 9.60704   26.33977  11.95877  1.000 68.03283 ? 98  ASN A CG    1 
ATOM   810  O  OD1   . ASN A 1 98  ? 9.14084   27.20616  11.21471  1.000 72.26880 ? 98  ASN A OD1   1 
ATOM   811  N  ND2   . ASN A 1 98  ? 10.88599  26.32000  12.32230  1.000 72.23564 ? 98  ASN A ND2   1 
ATOM   812  N  N     . GLU A 1 99  ? 7.33309   23.85607  9.34483   1.000 52.26900 ? 99  GLU A N     1 
ATOM   813  C  CA    . GLU A 1 99  ? 6.30130   24.09692  8.34285   1.000 40.51844 ? 99  GLU A CA    1 
ATOM   814  C  C     . GLU A 1 99  ? 5.70382   22.75908  7.92895   1.000 39.19108 ? 99  GLU A C     1 
ATOM   815  O  O     . GLU A 1 99  ? 6.31009   21.70425  8.12359   1.000 38.12791 ? 99  GLU A O     1 
ATOM   816  C  CB    . GLU A 1 99  ? 6.85073   24.84763  7.11256   1.000 41.33974 ? 99  GLU A CB    1 
ATOM   817  C  CG    . GLU A 1 99  ? 7.72114   26.06344  7.44429   1.000 51.36425 ? 99  GLU A CG    1 
ATOM   818  C  CD    . GLU A 1 99  ? 7.57553   27.19726  6.45385   1.000 55.97032 ? 99  GLU A CD    1 
ATOM   819  O  OE1   . GLU A 1 99  ? 7.20249   28.31815  6.86681   1.000 64.18270 ? 99  GLU A OE1   1 
ATOM   820  O  OE2   . GLU A 1 99  ? 7.86593   26.97411  5.26489   1.000 59.97918 ? 99  GLU A OE2   1 
ATOM   821  N  N     . TYR A 1 100 ? 4.50246   22.80825  7.35686   1.000 39.57208 ? 100 TYR A N     1 
ATOM   822  C  CA    . TYR A 1 100 ? 3.82677   21.62116  6.84433   1.000 38.59196 ? 100 TYR A CA    1 
ATOM   823  C  C     . TYR A 1 100 ? 3.73140   21.70006  5.32964   1.000 39.60600 ? 100 TYR A C     1 
ATOM   824  O  O     . TYR A 1 100 ? 3.26396   22.70663  4.79087   1.000 41.23302 ? 100 TYR A O     1 
ATOM   825  C  CB    . TYR A 1 100 ? 2.41673   21.47090  7.41234   1.000 38.43829 ? 100 TYR A CB    1 
ATOM   826  C  CG    . TYR A 1 100 ? 2.33398   21.16220  8.88207   1.000 37.33239 ? 100 TYR A CG    1 
ATOM   827  C  CD1   . TYR A 1 100 ? 2.49416   19.86408  9.34753   1.000 35.38758 ? 100 TYR A CD1   1 
ATOM   828  C  CD2   . TYR A 1 100 ? 2.05450   22.16215  9.80241   1.000 40.87347 ? 100 TYR A CD2   1 
ATOM   829  C  CE1   . TYR A 1 100 ? 2.40557   19.57718  10.69320  1.000 35.29024 ? 100 TYR A CE1   1 
ATOM   830  C  CE2   . TYR A 1 100 ? 1.95384   21.88452  11.15060  1.000 42.64678 ? 100 TYR A CE2   1 
ATOM   831  C  CZ    . TYR A 1 100 ? 2.12923   20.59072  11.59045  1.000 44.47298 ? 100 TYR A CZ    1 
ATOM   832  O  OH    . TYR A 1 100 ? 2.03194   20.31268  12.93367  1.000 45.90051 ? 100 TYR A OH    1 
ATOM   833  N  N     . ILE A 1 101 ? 4.13597   20.63188  4.65006   1.000 38.99676 ? 101 ILE A N     1 
ATOM   834  C  CA    . ILE A 1 101 ? 3.78456   20.42592  3.24872   1.000 40.13496 ? 101 ILE A CA    1 
ATOM   835  C  C     . ILE A 1 101 ? 2.47337   19.64981  3.15878   1.000 39.95127 ? 101 ILE A C     1 
ATOM   836  O  O     . ILE A 1 101 ? 2.35981   18.54154  3.69265   1.000 38.41070 ? 101 ILE A O     1 
ATOM   837  C  CB    . ILE A 1 101 ? 4.91184   19.70837  2.49312   1.000 43.77944 ? 101 ILE A CB    1 
ATOM   838  C  CG1   . ILE A 1 101 ? 6.25721   20.36964  2.80772   1.000 50.07386 ? 101 ILE A CG1   1 
ATOM   839  C  CG2   . ILE A 1 101 ? 4.65471   19.75860  1.00740   1.000 47.40891 ? 101 ILE A CG2   1 
ATOM   840  C  CD1   . ILE A 1 101 ? 7.22243   19.50310  3.58968   1.000 52.50630 ? 101 ILE A CD1   1 
ATOM   841  N  N     . VAL A 1 102 ? 1.47400   20.23996  2.48881   1.000 41.70138 ? 102 VAL A N     1 
ATOM   842  C  CA    . VAL A 1 102 ? 0.10233   19.73015  2.46443   1.000 41.97751 ? 102 VAL A CA    1 
ATOM   843  C  C     . VAL A 1 102 ? -0.40729  19.78118  1.02672   1.000 51.40569 ? 102 VAL A C     1 
ATOM   844  O  O     . VAL A 1 102 ? 0.18445   20.42532  0.15929   1.000 45.87758 ? 102 VAL A O     1 
ATOM   845  C  CB    . VAL A 1 102 ? -0.84092  20.52941  3.39368   1.000 42.42545 ? 102 VAL A CB    1 
ATOM   846  C  CG1   . VAL A 1 102 ? -0.39242  20.41799  4.82605   1.000 40.35814 ? 102 VAL A CG1   1 
ATOM   847  C  CG2   . VAL A 1 102 ? -0.90616  21.97601  2.98251   1.000 44.93940 ? 102 VAL A CG2   1 
ATOM   848  N  N     . ASP A 1 103 ? -1.52505  19.09243  0.77545   1.000 53.08332 ? 103 ASP A N     1 
ATOM   849  C  CA    . ASP A 1 103 ? -2.13289  19.06835  -0.55438  1.000 51.29271 ? 103 ASP A CA    1 
ATOM   850  C  C     . ASP A 1 103 ? -3.21251  20.12794  -0.73552  1.000 60.74320 ? 103 ASP A C     1 
ATOM   851  O  O     . ASP A 1 103 ? -3.10884  20.92268  -1.67166  1.000 63.33302 ? 103 ASP A O     1 
ATOM   852  C  CB    . ASP A 1 103 ? -2.73577  17.69116  -0.86018  1.000 57.60371 ? 103 ASP A CB    1 
ATOM   853  C  CG    . ASP A 1 103 ? -1.68817  16.62319  -1.04391  1.000 57.52038 ? 103 ASP A CG    1 
ATOM   854  O  OD1   . ASP A 1 103 ? -0.49561  16.97040  -1.12636  1.000 62.61564 ? 103 ASP A OD1   1 
ATOM   855  O  OD2   . ASP A 1 103 ? -2.05300  15.43351  -1.10191  1.000 55.80769 ? 103 ASP A OD2   1 
ATOM   856  N  N     . GLU A 1 104 ? -4.24164  20.09783  0.12978   1.000 68.24166 ? 104 GLU A N     1 
ATOM   857  C  CA    . GLU A 1 104 ? -5.43491  20.98244  0.32708   1.000 71.10807 ? 104 GLU A CA    1 
ATOM   858  C  C     . GLU A 1 104 ? -6.66993  20.09561  0.35639   1.000 63.48852 ? 104 GLU A C     1 
ATOM   859  O  O     . GLU A 1 104 ? -7.72683  20.52231  0.81656   1.000 71.96904 ? 104 GLU A O     1 
ATOM   860  C  CB    . GLU A 1 104 ? -5.65767  22.10267  -0.71675  1.000 59.56270 ? 104 GLU A CB    1 
ATOM   861  C  CG    . GLU A 1 104 ? -6.34211  23.42155  -0.21947  1.000 74.30992 ? 104 GLU A CG    1 
ATOM   862  C  CD    . GLU A 1 104 ? -5.90007  23.94788  1.14763   1.000 71.63450 ? 104 GLU A CD    1 
ATOM   863  O  OE1   . GLU A 1 104 ? -6.72758  24.60071  1.81310   1.000 78.25791 ? 104 GLU A OE1   1 
ATOM   864  O  OE2   . GLU A 1 104 ? -4.72323  23.80352  1.53528   1.000 71.88116 ? 104 GLU A OE2   1 
ATOM   865  N  N     . MET B 1 4   ? 5.26019   -34.13575 -3.43094  1.000 72.95114 ? 4   MET B N     1 
ATOM   866  C  CA    . MET B 1 4   ? 4.28053   -35.09837 -3.92835  1.000 77.64674 ? 4   MET B CA    1 
ATOM   867  C  C     . MET B 1 4   ? 2.93718   -35.06343 -3.20686  1.000 62.44776 ? 4   MET B C     1 
ATOM   868  O  O     . MET B 1 4   ? 2.85783   -34.73059 -2.02946  1.000 70.09874 ? 4   MET B O     1 
ATOM   869  C  CB    . MET B 1 4   ? 4.86596   -36.49743 -3.83291  1.000 68.50524 ? 4   MET B CB    1 
ATOM   870  C  CG    . MET B 1 4   ? 4.53090   -37.37305 -4.95481  1.000 79.72171 ? 4   MET B CG    1 
ATOM   871  S  SD    . MET B 1 4   ? 5.07390   -36.73622 -6.56372  1.000 89.56308 ? 4   MET B SD    1 
ATOM   872  C  CE    . MET B 1 4   ? 6.84231   -36.81824 -6.33743  1.000 85.91625 ? 4   MET B CE    1 
ATOM   873  N  N     . ARG B 1 5   ? 1.88166   -35.43825 -3.92220  1.000 62.36720 ? 5   ARG B N     1 
ATOM   874  C  CA    . ARG B 1 5   ? 0.52552   -35.38417 -3.39457  1.000 65.73133 ? 5   ARG B CA    1 
ATOM   875  C  C     . ARG B 1 5   ? 0.03199   -36.79374 -3.08939  1.000 59.51093 ? 5   ARG B C     1 
ATOM   876  O  O     . ARG B 1 5   ? 0.19027   -37.70941 -3.90584  1.000 62.14335 ? 5   ARG B O     1 
ATOM   877  C  CB    . ARG B 1 5   ? -0.41706  -34.67485 -4.36996  1.000 68.39129 ? 5   ARG B CB    1 
ATOM   878  N  N     . VAL B 1 6   ? -0.52070  -36.95993 -1.89220  1.000 57.04022 ? 6   VAL B N     1 
ATOM   879  C  CA    . VAL B 1 6   ? -0.85039  -38.24736 -1.30656  1.000 60.14861 ? 6   VAL B CA    1 
ATOM   880  C  C     . VAL B 1 6   ? -2.22307  -38.11075 -0.66528  1.000 54.95191 ? 6   VAL B C     1 
ATOM   881  O  O     . VAL B 1 6   ? -2.50447  -37.10343 -0.00746  1.000 52.46838 ? 6   VAL B O     1 
ATOM   882  C  CB    . VAL B 1 6   ? 0.22153   -38.63936 -0.27404  1.000 59.26155 ? 6   VAL B CB    1 
ATOM   883  C  CG1   . VAL B 1 6   ? -0.34005  -39.53033 0.81168   1.000 63.15637 ? 6   VAL B CG1   1 
ATOM   884  C  CG2   . VAL B 1 6   ? 1.40280   -39.33638 -0.97002  1.000 61.37195 ? 6   VAL B CG2   1 
ATOM   885  N  N     . LYS B 1 7   ? -3.08958  -39.09927 -0.87772  1.000 55.96316 ? 7   LYS B N     1 
ATOM   886  C  CA    . LYS B 1 7   ? -4.37479  -39.14816 -0.18968  1.000 54.34034 ? 7   LYS B CA    1 
ATOM   887  C  C     . LYS B 1 7   ? -4.33995  -40.19105 0.92444   1.000 54.81621 ? 7   LYS B C     1 
ATOM   888  O  O     . LYS B 1 7   ? -3.99013  -41.35366 0.68971   1.000 57.37280 ? 7   LYS B O     1 
ATOM   889  C  CB    . LYS B 1 7   ? -5.53102  -39.44653 -1.14963  1.000 55.52863 ? 7   LYS B CB    1 
ATOM   890  C  CG    . LYS B 1 7   ? -6.83886  -38.78588 -0.70576  1.000 56.42163 ? 7   LYS B CG    1 
ATOM   891  C  CD    . LYS B 1 7   ? -7.94308  -38.77091 -1.76395  1.000 61.31213 ? 7   LYS B CD    1 
ATOM   892  C  CE    . LYS B 1 7   ? -7.41903  -38.60582 -3.16802  1.000 56.90766 ? 7   LYS B CE    1 
ATOM   893  N  NZ    . LYS B 1 7   ? -8.52529  -38.51885 -4.15180  1.000 59.05421 ? 7   LYS B NZ    1 
ATOM   894  N  N     . VAL B 1 8   ? -4.71330  -39.77045 2.13334   1.000 52.69394 ? 8   VAL B N     1 
ATOM   895  C  CA    . VAL B 1 8   ? -4.55660  -40.56772 3.34482   1.000 53.24712 ? 8   VAL B CA    1 
ATOM   896  C  C     . VAL B 1 8   ? -5.93729  -40.80178 3.93987   1.000 55.56782 ? 8   VAL B C     1 
ATOM   897  O  O     . VAL B 1 8   ? -6.79582  -39.91176 3.90231   1.000 50.89516 ? 8   VAL B O     1 
ATOM   898  C  CB    . VAL B 1 8   ? -3.64111  -39.88771 4.38720   1.000 58.94104 ? 8   VAL B CB    1 
ATOM   899  C  CG1   . VAL B 1 8   ? -3.19654  -40.88218 5.44443   1.000 53.40660 ? 8   VAL B CG1   1 
ATOM   900  C  CG2   . VAL B 1 8   ? -2.44697  -39.22606 3.72649   1.000 56.41415 ? 8   VAL B CG2   1 
ATOM   901  N  N     . ASN B 1 9   ? -6.14198  -42.00359 4.48278   1.000 54.97463 ? 9   ASN B N     1 
ATOM   902  C  CA    . ASN B 1 9   ? -7.36459  -42.34083 5.19972   1.000 55.26501 ? 9   ASN B CA    1 
ATOM   903  C  C     . ASN B 1 9   ? -7.61830  -41.37216 6.34819   1.000 52.63331 ? 9   ASN B C     1 
ATOM   904  O  O     . ASN B 1 9   ? -6.69383  -40.95799 7.05323   1.000 51.53819 ? 9   ASN B O     1 
ATOM   905  C  CB    . ASN B 1 9   ? -7.26946  -43.77543 5.72929   1.000 58.55916 ? 9   ASN B CB    1 
ATOM   906  C  CG    . ASN B 1 9   ? -8.23662  -44.04837 6.86704   1.000 68.70099 ? 9   ASN B CG    1 
ATOM   907  O  OD1   . ASN B 1 9   ? -7.82632  -44.34489 7.99049   1.000 68.69726 ? 9   ASN B OD1   1 
ATOM   908  N  ND2   . ASN B 1 9   ? -9.53146  -43.95930 6.57762   1.000 70.77494 ? 9   ASN B ND2   1 
ATOM   909  N  N     . GLU B 1 10  ? -8.89191  -40.99966 6.50386   1.000 51.90484 ? 10  GLU B N     1 
ATOM   910  C  CA    . GLU B 1 10  ? -9.27331  -39.92240 7.41069   1.000 52.52897 ? 10  GLU B CA    1 
ATOM   911  C  C     . GLU B 1 10  ? -8.99000  -40.28296 8.86636   1.000 49.81632 ? 10  GLU B C     1 
ATOM   912  O  O     . GLU B 1 10  ? -8.51190  -39.44077 9.63299   1.000 50.69818 ? 10  GLU B O     1 
ATOM   913  C  CB    . GLU B 1 10  ? -10.74951 -39.58292 7.19347   1.000 52.46778 ? 10  GLU B CB    1 
ATOM   914  C  CG    . GLU B 1 10  ? -11.48048 -38.99790 8.37755   1.000 57.16752 ? 10  GLU B CG    1 
ATOM   915  C  CD    . GLU B 1 10  ? -12.97816 -39.18878 8.26868   1.000 61.79800 ? 10  GLU B CD    1 
ATOM   916  O  OE1   . GLU B 1 10  ? -13.43644 -40.34713 8.36921   1.000 57.54489 ? 10  GLU B OE1   1 
ATOM   917  O  OE2   . GLU B 1 10  ? -13.69504 -38.18295 8.07750   1.000 67.91795 ? 10  GLU B OE2   1 
ATOM   918  N  N     . LYS B 1 11  ? -9.25303  -41.53534 9.25896   1.000 55.66517 ? 11  LYS B N     1 
ATOM   919  C  CA    . LYS B 1 11  ? -8.93855  -41.97037 10.61950  1.000 62.17133 ? 11  LYS B CA    1 
ATOM   920  C  C     . LYS B 1 11  ? -7.43095  -41.95194 10.86107  1.000 59.27852 ? 11  LYS B C     1 
ATOM   921  O  O     . LYS B 1 11  ? -6.97759  -41.56559 11.94573  1.000 61.02531 ? 11  LYS B O     1 
ATOM   922  C  CB    . LYS B 1 11  ? -9.54083  -43.36338 10.86649  1.000 58.01743 ? 11  LYS B CB    1 
ATOM   923  C  CG    . LYS B 1 11  ? -9.71922  -43.85606 12.34047  1.000 70.88652 ? 11  LYS B CG    1 
ATOM   924  C  CD    . LYS B 1 11  ? -8.44702  -44.11843 13.16324  1.000 69.57562 ? 11  LYS B CD    1 
ATOM   925  C  CE    . LYS B 1 11  ? -8.75489  -44.82346 14.48020  1.000 70.03942 ? 11  LYS B CE    1 
ATOM   926  N  NZ    . LYS B 1 11  ? -7.60202  -45.64115 14.95990  1.000 68.73349 ? 11  LYS B NZ    1 
ATOM   927  N  N     . GLN B 1 12  ? -6.64268  -42.36081 9.86029   1.000 54.74081 ? 12  GLN B N     1 
ATOM   928  C  CA    . GLN B 1 12  ? -5.18581  -42.30802 9.97262   1.000 54.96071 ? 12  GLN B CA    1 
ATOM   929  C  C     . GLN B 1 12  ? -4.70961  -40.87381 10.17540  1.000 59.54600 ? 12  GLN B C     1 
ATOM   930  O  O     . GLN B 1 12  ? -3.98421  -40.56868 11.13087  1.000 51.33445 ? 12  GLN B O     1 
ATOM   931  C  CB    . GLN B 1 12  ? -4.54252  -42.90167 8.70974   1.000 56.64056 ? 12  GLN B CB    1 
ATOM   932  C  CG    . GLN B 1 12  ? -4.53911  -44.44769 8.48877   1.000 64.45681 ? 12  GLN B CG    1 
ATOM   933  C  CD    . GLN B 1 12  ? -4.48684  -45.33862 9.73104   1.000 65.84108 ? 12  GLN B CD    1 
ATOM   934  O  OE1   . GLN B 1 12  ? -5.12039  -46.39507 9.75744   1.000 72.38804 ? 12  GLN B OE1   1 
ATOM   935  N  NE2   . GLN B 1 12  ? -3.61100  -45.00972 10.67768  1.000 70.85346 ? 12  GLN B NE2   1 
ATOM   936  N  N     . PHE B 1 13  ? -5.13380  -39.96942 9.29807   1.000 49.32175 ? 13  PHE B N     1 
ATOM   937  C  CA    . PHE B 1 13  ? -4.58326  -38.62664 9.34118   1.000 48.82736 ? 13  PHE B CA    1 
ATOM   938  C  C     . PHE B 1 13  ? -5.21129  -37.76919 10.43476  1.000 44.51824 ? 13  PHE B C     1 
ATOM   939  O  O     . PHE B 1 13  ? -4.60385  -36.77194 10.83783  1.000 47.02063 ? 13  PHE B O     1 
ATOM   940  C  CB    . PHE B 1 13  ? -4.72936  -37.94765 7.97975   1.000 45.59114 ? 13  PHE B CB    1 
ATOM   941  C  CG    . PHE B 1 13  ? -3.83416  -36.75664 7.81183   1.000 47.49509 ? 13  PHE B CG    1 
ATOM   942  C  CD1   . PHE B 1 13  ? -2.46025  -36.91731 7.75061   1.000 45.25772 ? 13  PHE B CD1   1 
ATOM   943  C  CD2   . PHE B 1 13  ? -4.35884  -35.47796 7.74001   1.000 46.05498 ? 13  PHE B CD2   1 
ATOM   944  C  CE1   . PHE B 1 13  ? -1.62641  -35.82712 7.60919   1.000 45.25363 ? 13  PHE B CE1   1 
ATOM   945  C  CE2   . PHE B 1 13  ? -3.52932  -34.38076 7.59913   1.000 40.55245 ? 13  PHE B CE2   1 
ATOM   946  C  CZ    . PHE B 1 13  ? -2.16107  -34.55508 7.54381   1.000 41.89295 ? 13  PHE B CZ    1 
ATOM   947  N  N     . ASP B 1 14  ? -6.39005  -38.14280 10.94705  1.000 46.84310 ? 14  ASP B N     1 
ATOM   948  C  CA    . ASP B 1 14  ? -6.94617  -37.40972 12.08303  1.000 47.20699 ? 14  ASP B CA    1 
ATOM   949  C  C     . ASP B 1 14  ? -6.12038  -37.59159 13.34803  1.000 44.14760 ? 14  ASP B C     1 
ATOM   950  O  O     . ASP B 1 14  ? -6.13183  -36.70930 14.20914  1.000 46.67495 ? 14  ASP B O     1 
ATOM   951  C  CB    . ASP B 1 14  ? -8.39275  -37.81740 12.36445  1.000 44.91310 ? 14  ASP B CB    1 
ATOM   952  C  CG    . ASP B 1 14  ? -9.38765  -37.09940 11.47154  1.000 47.14397 ? 14  ASP B CG    1 
ATOM   953  O  OD1   . ASP B 1 14  ? -9.11433  -35.94708 11.07146  1.000 44.69641 ? 14  ASP B OD1   1 
ATOM   954  O  OD2   . ASP B 1 14  ? -10.45635 -37.67917 11.18984  1.000 53.28054 ? 14  ASP B OD2   1 
ATOM   955  N  N     . MET B 1 15  ? -5.39994  -38.70929 13.48633  1.000 46.90389 ? 15  MET B N     1 
ATOM   956  C  CA    . MET B 1 15  ? -4.42615  -38.80743 14.57073  1.000 47.96397 ? 15  MET B CA    1 
ATOM   957  C  C     . MET B 1 15  ? -3.32357  -37.76900 14.42265  1.000 50.07563 ? 15  MET B C     1 
ATOM   958  O  O     . MET B 1 15  ? -2.86908  -37.19298 15.41844  1.000 53.66499 ? 15  MET B O     1 
ATOM   959  C  CB    . MET B 1 15  ? -3.81738  -40.20569 14.63797  1.000 51.80049 ? 15  MET B CB    1 
ATOM   960  C  CG    . MET B 1 15  ? -4.75947  -41.29175 15.10374  1.000 61.72026 ? 15  MET B CG    1 
ATOM   961  S  SD    . MET B 1 15  ? -3.85315  -42.83498 15.31391  1.000 72.21592 ? 15  MET B SD    1 
ATOM   962  C  CE    . MET B 1 15  ? -4.02378  -43.55270 13.68461  1.000 62.89166 ? 15  MET B CE    1 
ATOM   963  N  N     . ILE B 1 16  ? -2.87591  -37.52071 13.18999  1.000 45.53408 ? 16  ILE B N     1 
ATOM   964  C  CA    . ILE B 1 16  ? -1.81105  -36.54693 12.97434  1.000 45.70535 ? 16  ILE B CA    1 
ATOM   965  C  C     . ILE B 1 16  ? -2.32674  -35.13534 13.23413  1.000 41.18429 ? 16  ILE B C     1 
ATOM   966  O  O     . ILE B 1 16  ? -1.67350  -34.34249 13.92265  1.000 43.01540 ? 16  ILE B O     1 
ATOM   967  C  CB    . ILE B 1 16  ? -1.22113  -36.69844 11.55837  1.000 46.71811 ? 16  ILE B CB    1 
ATOM   968  C  CG1   . ILE B 1 16  ? -0.06387  -37.69551 11.57304  1.000 48.35650 ? 16  ILE B CG1   1 
ATOM   969  C  CG2   . ILE B 1 16  ? -0.69138  -35.37073 11.02985  1.000 47.00961 ? 16  ILE B CG2   1 
ATOM   970  C  CD1   . ILE B 1 16  ? 0.39061   -38.11757 10.19426  1.000 50.71344 ? 16  ILE B CD1   1 
ATOM   971  N  N     . ILE B 1 17  ? -3.52353  -34.81823 12.71850  1.000 40.55136 ? 17  ILE B N     1 
ATOM   972  C  CA    . ILE B 1 17  ? -4.10174  -33.48430 12.88891  1.000 38.14534 ? 17  ILE B CA    1 
ATOM   973  C  C     . ILE B 1 17  ? -4.35572  -33.19549 14.36226  1.000 40.61909 ? 17  ILE B C     1 
ATOM   974  O  O     . ILE B 1 17  ? -4.02963  -32.11090 14.85971  1.000 35.87250 ? 17  ILE B O     1 
ATOM   975  C  CB    . ILE B 1 17  ? -5.39222  -33.34145 12.05491  1.000 43.12210 ? 17  ILE B CB    1 
ATOM   976  C  CG1   . ILE B 1 17  ? -5.07390  -33.23648 10.56518  1.000 36.67751 ? 17  ILE B CG1   1 
ATOM   977  C  CG2   . ILE B 1 17  ? -6.20177  -32.12026 12.48472  1.000 42.53947 ? 17  ILE B CG2   1 
ATOM   978  C  CD1   . ILE B 1 17  ? -6.31146  -33.21068 9.68500   1.000 39.52006 ? 17  ILE B CD1   1 
ATOM   979  N  N     . ASP B 1 18  ? -4.90533  -34.17601 15.08862  1.000 38.11316 ? 18  ASP B N     1 
ATOM   980  C  CA    . ASP B 1 18  ? -5.22336  -33.98048 16.50145  1.000 38.08893 ? 18  ASP B CA    1 
ATOM   981  C  C     . ASP B 1 18  ? -3.96898  -33.74492 17.33127  1.000 41.32824 ? 18  ASP B C     1 
ATOM   982  O  O     . ASP B 1 18  ? -4.00355  -33.00395 18.31993  1.000 42.35348 ? 18  ASP B O     1 
ATOM   983  C  CB    . ASP B 1 18  ? -5.98917  -35.18750 17.04175  1.000 40.52602 ? 18  ASP B CB    1 
ATOM   984  C  CG    . ASP B 1 18  ? -7.40404  -35.26299 16.50977  1.000 40.23127 ? 18  ASP B CG    1 
ATOM   985  O  OD1   . ASP B 1 18  ? -7.84534  -34.29665 15.85239  1.000 38.02925 ? 18  ASP B OD1   1 
ATOM   986  O  OD2   . ASP B 1 18  ? -8.06198  -36.30228 16.72219  1.000 45.88641 ? 18  ASP B OD2   1 
ATOM   987  N  N     . LYS B 1 19  ? -2.85402  -34.37608 16.95441  1.000 40.43030 ? 19  LYS B N     1 
ATOM   988  C  CA    . LYS B 1 19  ? -1.58904  -34.08015 17.61591  1.000 43.14583 ? 19  LYS B CA    1 
ATOM   989  C  C     . LYS B 1 19  ? -1.13982  -32.64771 17.35126  1.000 40.88463 ? 19  LYS B C     1 
ATOM   990  O  O     . LYS B 1 19  ? -0.66631  -31.96022 18.26450  1.000 46.29125 ? 19  LYS B O     1 
ATOM   991  C  CB    . LYS B 1 19  ? -0.50935  -35.07419 17.17752  1.000 44.06365 ? 19  LYS B CB    1 
ATOM   992  C  CG    . LYS B 1 19  ? -0.58580  -36.56393 17.67497  1.000 47.51376 ? 19  LYS B CG    1 
ATOM   993  C  CD    . LYS B 1 19  ? -1.44800  -36.99634 18.91203  1.000 60.09085 ? 19  LYS B CD    1 
ATOM   994  C  CE    . LYS B 1 19  ? -1.22235  -36.25596 20.24873  1.000 49.92079 ? 19  LYS B CE    1 
ATOM   995  N  NZ    . LYS B 1 19  ? -1.87235  -36.95684 21.39292  1.000 59.17160 ? 19  LYS B NZ    1 
ATOM   996  N  N     . LEU B 1 20  ? -1.27425  -32.18269 16.10498  1.000 37.51116 ? 20  LEU B N     1 
ATOM   997  C  CA    . LEU B 1 20  ? -0.93832  -30.79538 15.79318  1.000 36.96956 ? 20  LEU B CA    1 
ATOM   998  C  C     . LEU B 1 20  ? -1.86995  -29.81120 16.48893  1.000 36.77337 ? 20  LEU B C     1 
ATOM   999  O  O     . LEU B 1 20  ? -1.41725  -28.77187 16.98096  1.000 37.92868 ? 20  LEU B O     1 
ATOM   1000 C  CB    . LEU B 1 20  ? -0.94447  -30.56653 14.28226  1.000 39.83037 ? 20  LEU B CB    1 
ATOM   1001 C  CG    . LEU B 1 20  ? -0.12563  -31.55068 13.44799  1.000 43.08895 ? 20  LEU B CG    1 
ATOM   1002 C  CD1   . LEU B 1 20  ? -0.45015  -31.42919 11.96753  1.000 45.94234 ? 20  LEU B CD1   1 
ATOM   1003 C  CD2   . LEU B 1 20  ? 1.34814   -31.30013 13.69372  1.000 39.24840 ? 20  LEU B CD2   1 
ATOM   1004 N  N     . LYS B 1 21  ? -3.17277  -30.10804 16.52864  1.000 33.08126 ? 21  LYS B N     1 
ATOM   1005 C  CA    . LYS B 1 21  ? -4.10669  -29.20631 17.19746  1.000 31.12800 ? 21  LYS B CA    1 
ATOM   1006 C  C     . LYS B 1 21  ? -3.84039  -29.14155 18.69204  1.000 34.53407 ? 21  LYS B C     1 
ATOM   1007 O  O     . LYS B 1 21  ? -3.99285  -28.08035 19.30783  1.000 39.25461 ? 21  LYS B O     1 
ATOM   1008 C  CB    . LYS B 1 21  ? -5.54824  -29.63305 16.94524  1.000 32.98710 ? 21  LYS B CB    1 
ATOM   1009 C  CG    . LYS B 1 21  ? -5.97096  -29.60662 15.49870  1.000 37.20365 ? 21  LYS B CG    1 
ATOM   1010 C  CD    . LYS B 1 21  ? -7.47365  -29.53757 15.41570  1.000 30.90450 ? 21  LYS B CD    1 
ATOM   1011 C  CE    . LYS B 1 21  ? -8.11200  -30.83867 15.84415  1.000 32.18329 ? 21  LYS B CE    1 
ATOM   1012 N  NZ    . LYS B 1 21  ? -9.59299  -30.75215 15.71297  1.000 34.04075 ? 21  LYS B NZ    1 
ATOM   1013 N  N     . LEU B 1 22  ? -3.44233  -30.26795 19.29194  1.000 35.51960 ? 22  LEU B N     1 
ATOM   1014 C  CA    . LEU B 1 22  ? -3.22157  -30.29782 20.73215  1.000 34.86509 ? 22  LEU B CA    1 
ATOM   1015 C  C     . LEU B 1 22  ? -2.01754  -29.44081 21.10785  1.000 39.61539 ? 22  LEU B C     1 
ATOM   1016 O  O     . LEU B 1 22  ? -2.01506  -28.80370 22.16867  1.000 41.22595 ? 22  LEU B O     1 
ATOM   1017 C  CB    . LEU B 1 22  ? -3.04749  -31.74882 21.19392  1.000 41.04424 ? 22  LEU B CB    1 
ATOM   1018 C  CG    . LEU B 1 22  ? -2.31616  -32.20008 22.46347  1.000 45.31152 ? 22  LEU B CG    1 
ATOM   1019 C  CD1   . LEU B 1 22  ? -2.85637  -31.49836 23.71225  1.000 46.78856 ? 22  LEU B CD1   1 
ATOM   1020 C  CD2   . LEU B 1 22  ? -2.38379  -33.71103 22.62859  1.000 44.20409 ? 22  LEU B CD2   1 
ATOM   1021 N  N     . MET B 1 23  ? -1.01145  -29.38486 20.23014  1.000 37.54318 ? 23  MET B N     1 
ATOM   1022 C  CA    . MET B 1 23  ? 0.10647   -28.46863 20.42558  1.000 39.31381 ? 23  MET B CA    1 
ATOM   1023 C  C     . MET B 1 23  ? -0.35337  -27.01430 20.42419  1.000 35.51941 ? 23  MET B C     1 
ATOM   1024 O  O     . MET B 1 23  ? 0.17327   -26.19294 21.18338  1.000 41.52715 ? 23  MET B O     1 
ATOM   1025 C  CB    . MET B 1 23  ? 1.17056   -28.70185 19.35087  1.000 38.39150 ? 23  MET B CB    1 
ATOM   1026 C  CG    . MET B 1 23  ? 2.18966   -29.76924 19.72662  1.000 43.51636 ? 23  MET B CG    1 
ATOM   1027 S  SD    . MET B 1 23  ? 3.51304   -30.00102 18.52004  1.000 69.30090 ? 23  MET B SD    1 
ATOM   1028 C  CE    . MET B 1 23  ? 2.61624   -29.94867 16.97403  1.000 39.51537 ? 23  MET B CE    1 
ATOM   1029 N  N     . VAL B 1 24  ? -1.33284  -26.67355 19.58259  1.000 33.29126 ? 24  VAL B N     1 
ATOM   1030 C  CA    . VAL B 1 24  ? -1.86522  -25.31306 19.60240  1.000 30.41140 ? 24  VAL B CA    1 
ATOM   1031 C  C     . VAL B 1 24  ? -2.68462  -25.06653 20.86733  1.000 34.26155 ? 24  VAL B C     1 
ATOM   1032 O  O     . VAL B 1 24  ? -2.62282  -23.97401 21.44450  1.000 33.01671 ? 24  VAL B O     1 
ATOM   1033 C  CB    . VAL B 1 24  ? -2.67718  -25.01997 18.32714  1.000 34.60886 ? 24  VAL B CB    1 
ATOM   1034 C  CG1   . VAL B 1 24  ? -3.06450  -23.53941 18.27668  1.000 31.01168 ? 24  VAL B CG1   1 
ATOM   1035 C  CG2   . VAL B 1 24  ? -1.87849  -25.40250 17.08600  1.000 30.29673 ? 24  VAL B CG2   1 
ATOM   1036 N  N     . TYR B 1 25  ? -3.46757  -26.06480 21.31548  1.000 34.28537 ? 25  TYR B N     1 
ATOM   1037 C  CA    . TYR B 1 25  ? -4.25163  -25.90315 22.54461  1.000 34.41864 ? 25  TYR B CA    1 
ATOM   1038 C  C     . TYR B 1 25  ? -3.34977  -25.60920 23.73765  1.000 37.56386 ? 25  TYR B C     1 
ATOM   1039 O  O     . TYR B 1 25  ? -3.60226  -24.67161 24.50341  1.000 40.63938 ? 25  TYR B O     1 
ATOM   1040 C  CB    . TYR B 1 25  ? -5.08319  -27.14944 22.87111  1.000 34.63647 ? 25  TYR B CB    1 
ATOM   1041 C  CG    . TYR B 1 25  ? -5.98590  -27.75214 21.81458  1.000 40.79115 ? 25  TYR B CG    1 
ATOM   1042 C  CD1   . TYR B 1 25  ? -6.57288  -26.98625 20.81455  1.000 31.61676 ? 25  TYR B CD1   1 
ATOM   1043 C  CD2   . TYR B 1 25  ? -6.30590  -29.10513 21.87480  1.000 46.14761 ? 25  TYR B CD2   1 
ATOM   1044 C  CE1   . TYR B 1 25  ? -7.41775  -27.57525 19.87150  1.000 32.53042 ? 25  TYR B CE1   1 
ATOM   1045 C  CE2   . TYR B 1 25  ? -7.13247  -29.69607 20.94788  1.000 42.51601 ? 25  TYR B CE2   1 
ATOM   1046 C  CZ    . TYR B 1 25  ? -7.68898  -28.93495 19.94967  1.000 36.02787 ? 25  TYR B CZ    1 
ATOM   1047 O  OH    . TYR B 1 25  ? -8.51809  -29.55341 19.03999  1.000 35.25560 ? 25  TYR B OH    1 
ATOM   1048 N  N     . GLU B 1 26  ? -2.29317  -26.41400 23.90945  1.000 37.11253 ? 26  GLU B N     1 
ATOM   1049 C  CA    . GLU B 1 26  ? -1.31664  -26.16483 24.96674  1.000 38.35807 ? 26  GLU B CA    1 
ATOM   1050 C  C     . GLU B 1 26  ? -0.65225  -24.80428 24.80889  1.000 40.18666 ? 26  GLU B C     1 
ATOM   1051 O  O     . GLU B 1 26  ? -0.39034  -24.11671 25.80305  1.000 37.06227 ? 26  GLU B O     1 
ATOM   1052 C  CB    . GLU B 1 26  ? -0.25617  -27.26666 24.98961  1.000 38.54052 ? 26  GLU B CB    1 
ATOM   1053 C  CG    . GLU B 1 26  ? -0.59162  -28.45991 25.88346  1.000 48.56349 ? 26  GLU B CG    1 
ATOM   1054 C  CD    . GLU B 1 26  ? -0.19375  -29.79195 25.27660  1.000 52.62814 ? 26  GLU B CD    1 
ATOM   1055 O  OE1   . GLU B 1 26  ? 0.46997   -29.79957 24.21734  1.000 54.47522 ? 26  GLU B OE1   1 
ATOM   1056 O  OE2   . GLU B 1 26  ? -0.51481  -30.83554 25.88391  1.000 50.77597 ? 26  GLU B OE2   1 
ATOM   1057 N  N     . TYR B 1 27  ? -0.36616  -24.40078 23.56949  1.000 33.06983 ? 27  TYR B N     1 
ATOM   1058 C  CA    . TYR B 1 27  ? 0.26251   -23.10268 23.35343  1.000 35.40302 ? 27  TYR B CA    1 
ATOM   1059 C  C     . TYR B 1 27  ? -0.68321  -21.95782 23.70122  1.000 39.61008 ? 27  TYR B C     1 
ATOM   1060 O  O     . TYR B 1 27  ? -0.25089  -20.93970 24.25116  1.000 34.20880 ? 27  TYR B O     1 
ATOM   1061 C  CB    . TYR B 1 27  ? 0.74943   -22.98162 21.91136  1.000 33.95246 ? 27  TYR B CB    1 
ATOM   1062 C  CG    . TYR B 1 27  ? 1.29831   -21.61374 21.59698  1.000 35.19780 ? 27  TYR B CG    1 
ATOM   1063 C  CD1   . TYR B 1 27  ? 2.48634   -21.17499 22.16729  1.000 32.09985 ? 27  TYR B CD1   1 
ATOM   1064 C  CD2   . TYR B 1 27  ? 0.63033   -20.76032 20.72948  1.000 33.03624 ? 27  TYR B CD2   1 
ATOM   1065 C  CE1   . TYR B 1 27  ? 2.98839   -19.91666 21.89036  1.000 34.87729 ? 27  TYR B CE1   1 
ATOM   1066 C  CE2   . TYR B 1 27  ? 1.12766   -19.50953 20.43974  1.000 33.60026 ? 27  TYR B CE2   1 
ATOM   1067 C  CZ    . TYR B 1 27  ? 2.30238   -19.08893 21.02780  1.000 31.69293 ? 27  TYR B CZ    1 
ATOM   1068 O  OH    . TYR B 1 27  ? 2.79816   -17.84013 20.74170  1.000 35.13574 ? 27  TYR B OH    1 
ATOM   1069 N  N     . ASN B 1 28  ? -1.97680  -22.10918 23.40326  1.000 32.42961 ? 28  ASN B N     1 
ATOM   1070 C  CA    . ASN B 1 28  ? -2.93941  -21.06932 23.75283  1.000 34.73783 ? 28  ASN B CA    1 
ATOM   1071 C  C     . ASN B 1 28  ? -3.11779  -20.92890 25.26134  1.000 37.47425 ? 28  ASN B C     1 
ATOM   1072 O  O     . ASN B 1 28  ? -3.38049  -19.82104 25.74201  1.000 34.27572 ? 28  ASN B O     1 
ATOM   1073 C  CB    . ASN B 1 28  ? -4.28270  -21.34313 23.07798  1.000 30.92339 ? 28  ASN B CB    1 
ATOM   1074 C  CG    . ASN B 1 28  ? -4.32265  -20.84393 21.63767  1.000 28.53751 ? 28  ASN B CG    1 
ATOM   1075 O  OD1   . ASN B 1 28  ? -3.68892  -19.84614 21.29931  1.000 27.29868 ? 28  ASN B OD1   1 
ATOM   1076 N  ND2   . ASN B 1 28  ? -5.06932  -21.53651 20.78743  1.000 29.66875 ? 28  ASN B ND2   1 
ATOM   1077 N  N     . THR B 1 29  ? -2.97567  -22.02082 26.02446  1.000 33.78668 ? 29  THR B N     1 
ATOM   1078 C  CA    . THR B 1 29  ? -2.96110  -21.89146 27.48148  1.000 37.64858 ? 29  THR B CA    1 
ATOM   1079 C  C     . THR B 1 29  ? -1.72826  -21.14743 27.97009  1.000 41.32997 ? 29  THR B C     1 
ATOM   1080 O  O     . THR B 1 29  ? -1.78402  -20.44868 28.98883  1.000 44.04548 ? 29  THR B O     1 
ATOM   1081 C  CB    . THR B 1 29  ? -3.04223  -23.25693 28.16670  1.000 45.85627 ? 29  THR B CB    1 
ATOM   1082 O  OG1   . THR B 1 29  ? -1.82615  -23.98765 27.94975  1.000 56.23250 ? 29  THR B OG1   1 
ATOM   1083 C  CG2   . THR B 1 29  ? -4.23321  -24.03127 27.67303  1.000 36.21130 ? 29  THR B CG2   1 
ATOM   1084 N  N     . LYS B 1 30  ? -0.59307  -21.31238 27.29456  1.000 40.11317 ? 30  LYS B N     1 
ATOM   1085 C  CA    . LYS B 1 30  ? 0.60470   -20.66803 27.81244  1.000 40.99549 ? 30  LYS B CA    1 
ATOM   1086 C  C     . LYS B 1 30  ? 0.54979   -19.16193 27.59046  1.000 39.99985 ? 30  LYS B C     1 
ATOM   1087 O  O     . LYS B 1 30  ? 1.14668   -18.39769 28.35741  1.000 50.74978 ? 30  LYS B O     1 
ATOM   1088 C  CB    . LYS B 1 30  ? 1.84106   -21.29895 27.18109  1.000 43.90508 ? 30  LYS B CB    1 
ATOM   1089 C  CG    . LYS B 1 30  ? 3.19498   -20.68228 27.55551  1.000 53.52888 ? 30  LYS B CG    1 
ATOM   1090 C  CD    . LYS B 1 30  ? 4.30435   -21.23405 26.67838  1.000 47.60453 ? 30  LYS B CD    1 
ATOM   1091 C  CE    . LYS B 1 30  ? 4.26628   -22.74541 26.73380  1.000 54.96650 ? 30  LYS B CE    1 
ATOM   1092 N  NZ    . LYS B 1 30  ? 4.34492   -23.36428 25.39112  1.000 59.52049 ? 30  LYS B NZ    1 
ATOM   1093 N  N     . ILE B 1 31  ? -0.21595  -18.71467 26.59811  1.000 43.32187 ? 31  ILE B N     1 
ATOM   1094 C  CA    . ILE B 1 31  ? -0.24312  -17.30311 26.24336  1.000 41.61859 ? 31  ILE B CA    1 
ATOM   1095 C  C     . ILE B 1 31  ? -1.61125  -16.65943 26.49323  1.000 41.80990 ? 31  ILE B C     1 
ATOM   1096 O  O     . ILE B 1 31  ? -1.95729  -15.68525 25.81439  1.000 49.23703 ? 31  ILE B O     1 
ATOM   1097 C  CB    . ILE B 1 31  ? 0.19492   -17.11511 24.77426  1.000 43.06561 ? 31  ILE B CB    1 
ATOM   1098 C  CG1   . ILE B 1 31  ? -0.78391  -17.79600 23.81365  1.000 34.35778 ? 31  ILE B CG1   1 
ATOM   1099 C  CG2   . ILE B 1 31  ? 1.59841   -17.66982 24.55751  1.000 37.78716 ? 31  ILE B CG2   1 
ATOM   1100 C  CD1   . ILE B 1 31  ? -0.74338  -17.24465 22.40846  1.000 35.60622 ? 31  ILE B CD1   1 
ATOM   1101 N  N     . LYS B 1 32  ? -2.38413  -17.16075 27.48018  1.000 45.13586 ? 32  LYS B N     1 
ATOM   1102 C  CA    . LYS B 1 32  ? -3.74204  -16.64206 27.70719  1.000 47.44665 ? 32  LYS B CA    1 
ATOM   1103 C  C     . LYS B 1 32  ? -3.74499  -15.15208 28.03309  1.000 46.88091 ? 32  LYS B C     1 
ATOM   1104 O  O     . LYS B 1 32  ? -4.60344  -14.40715 27.54639  1.000 51.49427 ? 32  LYS B O     1 
ATOM   1105 C  CB    . LYS B 1 32  ? -4.47920  -17.39625 28.82900  1.000 58.39307 ? 32  LYS B CB    1 
ATOM   1106 C  CG    . LYS B 1 32  ? -4.67758  -18.90186 28.69003  1.000 57.33765 ? 32  LYS B CG    1 
ATOM   1107 C  CD    . LYS B 1 32  ? -5.32146  -19.53371 29.95793  1.000 60.16937 ? 32  LYS B CD    1 
ATOM   1108 C  CE    . LYS B 1 32  ? -4.34429  -20.36117 30.78874  1.000 60.02218 ? 32  LYS B CE    1 
ATOM   1109 N  NZ    . LYS B 1 32  ? -4.52556  -20.26396 32.26908  1.000 66.77754 ? 32  LYS B NZ    1 
ATOM   1110 N  N     . GLU B 1 33  ? -2.79924  -14.69682 28.84838  1.000 54.17318 ? 33  GLU B N     1 
ATOM   1111 C  CA    . GLU B 1 33  ? -2.82113  -13.30967 29.28743  1.000 52.35845 ? 33  GLU B CA    1 
ATOM   1112 C  C     . GLU B 1 33  ? -2.35754  -12.33937 28.21314  1.000 48.10235 ? 33  GLU B C     1 
ATOM   1113 O  O     . GLU B 1 33  ? -2.47284  -11.12556 28.40788  1.000 53.77807 ? 33  GLU B O     1 
ATOM   1114 C  CB    . GLU B 1 33  ? -1.96745  -13.13577 30.54423  1.000 59.88109 ? 33  GLU B CB    1 
ATOM   1115 C  CG    . GLU B 1 33  ? -2.70060  -13.50161 31.82614  1.000 74.61745 ? 33  GLU B CG    1 
ATOM   1116 C  CD    . GLU B 1 33  ? -2.84740  -14.99931 32.01126  1.000 72.71851 ? 33  GLU B CD    1 
ATOM   1117 O  OE1   . GLU B 1 33  ? -1.87093  -15.64291 32.44886  1.000 72.78842 ? 33  GLU B OE1   1 
ATOM   1118 O  OE2   . GLU B 1 33  ? -3.93795  -15.53118 31.71083  1.000 70.68321 ? 33  GLU B OE2   1 
ATOM   1119 N  N     . TYR B 1 34  ? -1.84897  -12.83841 27.08665  1.000 53.14110 ? 34  TYR B N     1 
ATOM   1120 C  CA    . TYR B 1 34  ? -1.58424  -11.97448 25.94631  1.000 43.54418 ? 34  TYR B CA    1 
ATOM   1121 C  C     . TYR B 1 34  ? -2.86193  -11.57839 25.22080  1.000 44.88700 ? 34  TYR B C     1 
ATOM   1122 O  O     . TYR B 1 34  ? -2.84282  -10.63031 24.42868  1.000 48.68078 ? 34  TYR B O     1 
ATOM   1123 C  CB    . TYR B 1 34  ? -0.62357  -12.67051 24.98772  1.000 43.69766 ? 34  TYR B CB    1 
ATOM   1124 C  CG    . TYR B 1 34  ? 0.78199   -12.73413 25.53437  1.000 49.56331 ? 34  TYR B CG    1 
ATOM   1125 C  CD1   . TYR B 1 34  ? 1.17965   -13.79427 26.34172  1.000 46.77815 ? 34  TYR B CD1   1 
ATOM   1126 C  CD2   . TYR B 1 34  ? 1.69442   -11.71517 25.29254  1.000 48.09637 ? 34  TYR B CD2   1 
ATOM   1127 C  CE1   . TYR B 1 34  ? 2.45758   -13.85684 26.86544  1.000 49.92690 ? 34  TYR B CE1   1 
ATOM   1128 C  CE2   . TYR B 1 34  ? 2.97685   -11.76598 25.81599  1.000 50.96483 ? 34  TYR B CE2   1 
ATOM   1129 C  CZ    . TYR B 1 34  ? 3.35218   -12.84014 26.59968  1.000 51.98510 ? 34  TYR B CZ    1 
ATOM   1130 O  OH    . TYR B 1 34  ? 4.62455   -12.89748 27.12055  1.000 57.04919 ? 34  TYR B OH    1 
ATOM   1131 N  N     . GLY B 1 35  ? -3.96626  -12.27749 25.47338  1.000 39.22605 ? 35  GLY B N     1 
ATOM   1132 C  CA    . GLY B 1 35  ? -5.25910  -11.84385 24.99219  1.000 38.57899 ? 35  GLY B CA    1 
ATOM   1133 C  C     . GLY B 1 35  ? -5.52126  -12.14457 23.53790  1.000 34.24104 ? 35  GLY B C     1 
ATOM   1134 O  O     . GLY B 1 35  ? -6.54018  -11.69927 23.00308  1.000 37.50754 ? 35  GLY B O     1 
ATOM   1135 N  N     . VAL B 1 36  ? -4.63367  -12.88197 22.88067  1.000 31.98373 ? 36  VAL B N     1 
ATOM   1136 C  CA    . VAL B 1 36  ? -4.75398  -13.17185 21.46134  1.000 30.18762 ? 36  VAL B CA    1 
ATOM   1137 C  C     . VAL B 1 36  ? -4.86448  -14.67939 21.28967  1.000 32.56267 ? 36  VAL B C     1 
ATOM   1138 O  O     . VAL B 1 36  ? -4.56804  -15.45972 22.19830  1.000 36.21207 ? 36  VAL B O     1 
ATOM   1139 C  CB    . VAL B 1 36  ? -3.56853  -12.61250 20.64968  1.000 27.23265 ? 36  VAL B CB    1 
ATOM   1140 C  CG1   . VAL B 1 36  ? -3.58126  -11.09351 20.67906  1.000 28.34911 ? 36  VAL B CG1   1 
ATOM   1141 C  CG2   . VAL B 1 36  ? -2.25142  -13.14995 21.19341  1.000 28.19977 ? 36  VAL B CG2   1 
ATOM   1142 N  N     . TYR B 1 37  ? -5.31287  -15.08365 20.10521  1.000 26.59157 ? 37  TYR B N     1 
ATOM   1143 C  CA    . TYR B 1 37  ? -5.77443  -16.44286 19.86192  1.000 24.63239 ? 37  TYR B CA    1 
ATOM   1144 C  C     . TYR B 1 37  ? -5.11710  -16.95271 18.58871  1.000 23.66318 ? 37  TYR B C     1 
ATOM   1145 O  O     . TYR B 1 37  ? -5.38126  -16.43189 17.49975  1.000 24.58794 ? 37  TYR B O     1 
ATOM   1146 C  CB    . TYR B 1 37  ? -7.29868  -16.47346 19.74035  1.000 29.11917 ? 37  TYR B CB    1 
ATOM   1147 C  CG    . TYR B 1 37  ? -7.90869  -17.84590 19.56229  1.000 27.61502 ? 37  TYR B CG    1 
ATOM   1148 C  CD1   . TYR B 1 37  ? -7.80233  -18.81206 20.55725  1.000 32.43704 ? 37  TYR B CD1   1 
ATOM   1149 C  CD2   . TYR B 1 37  ? -8.62455  -18.16013 18.41540  1.000 28.24954 ? 37  TYR B CD2   1 
ATOM   1150 C  CE1   . TYR B 1 37  ? -8.37652  -20.06103 20.40265  1.000 30.50580 ? 37  TYR B CE1   1 
ATOM   1151 C  CE2   . TYR B 1 37  ? -9.20049  -19.40317 18.25056  1.000 24.88959 ? 37  TYR B CE2   1 
ATOM   1152 C  CZ    . TYR B 1 37  ? -9.07122  -20.34956 19.24343  1.000 28.08783 ? 37  TYR B CZ    1 
ATOM   1153 O  OH    . TYR B 1 37  ? -9.65582  -21.58281 19.07934  1.000 37.88954 ? 37  TYR B OH    1 
ATOM   1154 N  N     . LEU B 1 38  ? -4.26635  -17.96511 18.72107  1.000 24.08681 ? 38  LEU B N     1 
ATOM   1155 C  CA    . LEU B 1 38  ? -3.79355  -18.72329 17.56906  1.000 23.41599 ? 38  LEU B CA    1 
ATOM   1156 C  C     . LEU B 1 38  ? -4.81890  -19.80951 17.28290  1.000 21.94141 ? 38  LEU B C     1 
ATOM   1157 O  O     . LEU B 1 38  ? -5.01580  -20.71430 18.10058  1.000 24.95279 ? 38  LEU B O     1 
ATOM   1158 C  CB    . LEU B 1 38  ? -2.41185  -19.31533 17.83232  1.000 21.84885 ? 38  LEU B CB    1 
ATOM   1159 C  CG    . LEU B 1 38  ? -1.82280  -20.13702 16.68388  1.000 28.07299 ? 38  LEU B CG    1 
ATOM   1160 C  CD1   . LEU B 1 38  ? -1.85127  -19.32475 15.39667  1.000 22.02182 ? 38  LEU B CD1   1 
ATOM   1161 C  CD2   . LEU B 1 38  ? -0.40408  -20.57861 17.01313  1.000 29.19920 ? 38  LEU B CD2   1 
ATOM   1162 N  N     . LYS B 1 39  ? -5.48382  -19.70838 16.14063  1.000 24.31759 ? 39  LYS B N     1 
ATOM   1163 C  CA    . LYS B 1 39  ? -6.59264  -20.60377 15.84758  1.000 24.36310 ? 39  LYS B CA    1 
ATOM   1164 C  C     . LYS B 1 39  ? -6.05002  -21.99931 15.56578  1.000 20.72440 ? 39  LYS B C     1 
ATOM   1165 O  O     . LYS B 1 39  ? -5.21123  -22.15449 14.66648  1.000 25.12220 ? 39  LYS B O     1 
ATOM   1166 C  CB    . LYS B 1 39  ? -7.39895  -20.08926 14.66078  1.000 22.11266 ? 39  LYS B CB    1 
ATOM   1167 C  CG    . LYS B 1 39  ? -8.67014  -20.87952 14.40859  1.000 22.85128 ? 39  LYS B CG    1 
ATOM   1168 C  CD    . LYS B 1 39  ? -9.55331  -20.22442 13.36560  1.000 21.50654 ? 39  LYS B CD    1 
ATOM   1169 C  CE    . LYS B 1 39  ? -10.90215 -20.92287 13.29205  1.000 24.85638 ? 39  LYS B CE    1 
ATOM   1170 N  NZ    . LYS B 1 39  ? -11.77905 -20.34891 12.23785  1.000 20.89581 ? 39  LYS B NZ    1 
ATOM   1171 N  N     . PRO B 1 40  ? -6.45736  -23.02344 16.32548  1.000 21.42350 ? 40  PRO B N     1 
ATOM   1172 C  CA    . PRO B 1 40  ? -5.87980  -24.36348 16.12758  1.000 22.27035 ? 40  PRO B CA    1 
ATOM   1173 C  C     . PRO B 1 40  ? -6.13243  -24.92836 14.74935  1.000 24.83220 ? 40  PRO B C     1 
ATOM   1174 O  O     . PRO B 1 40  ? -5.30776  -25.68742 14.23598  1.000 25.55836 ? 40  PRO B O     1 
ATOM   1175 C  CB    . PRO B 1 40  ? -6.55975  -25.21121 17.21272  1.000 24.75308 ? 40  PRO B CB    1 
ATOM   1176 C  CG    . PRO B 1 40  ? -7.03867  -24.24987 18.22630  1.000 32.26379 ? 40  PRO B CG    1 
ATOM   1177 C  CD    . PRO B 1 40  ? -7.28509  -22.94326 17.53598  1.000 27.55366 ? 40  PRO B CD    1 
ATOM   1178 N  N     . TYR B 1 41  ? -7.25418  -24.58067 14.13526  1.000 23.09986 ? 41  TYR B N     1 
ATOM   1179 C  CA    . TYR B 1 41  ? -7.80266  -25.40178 13.06690  1.000 24.11364 ? 41  TYR B CA    1 
ATOM   1180 C  C     . TYR B 1 41  ? -8.73599  -24.50236 12.27842  1.000 25.65905 ? 41  TYR B C     1 
ATOM   1181 O  O     . TYR B 1 41  ? -9.79869  -24.14569 12.78249  1.000 24.10622 ? 41  TYR B O     1 
ATOM   1182 C  CB    . TYR B 1 41  ? -8.52918  -26.60226 13.65031  1.000 25.34068 ? 41  TYR B CB    1 
ATOM   1183 C  CG    . TYR B 1 41  ? -9.23244  -27.48435 12.65738  1.000 28.55330 ? 41  TYR B CG    1 
ATOM   1184 C  CD1   . TYR B 1 41  ? -8.52217  -28.14153 11.66291  1.000 31.80352 ? 41  TYR B CD1   1 
ATOM   1185 C  CD2   . TYR B 1 41  ? -10.59468 -27.72054 12.75466  1.000 31.62991 ? 41  TYR B CD2   1 
ATOM   1186 C  CE1   . TYR B 1 41  ? -9.16006  -28.97664 10.76743  1.000 32.15320 ? 41  TYR B CE1   1 
ATOM   1187 C  CE2   . TYR B 1 41  ? -11.23662 -28.56539 11.87188  1.000 39.44479 ? 41  TYR B CE2   1 
ATOM   1188 C  CZ    . TYR B 1 41  ? -10.51579 -29.18020 10.87238  1.000 38.37592 ? 41  TYR B CZ    1 
ATOM   1189 O  OH    . TYR B 1 41  ? -11.15077 -30.00969 9.98222   1.000 43.97842 ? 41  TYR B OH    1 
ATOM   1190 N  N     . HIS B 1 42  ? -8.32519  -24.10859 11.07865  1.000 24.41111 ? 42  HIS B N     1 
ATOM   1191 C  CA    . HIS B 1 42  ? -9.08186  -23.18922 10.24267  1.000 25.00439 ? 42  HIS B CA    1 
ATOM   1192 C  C     . HIS B 1 42  ? -9.52326  -23.91568 8.98064   1.000 25.68314 ? 42  HIS B C     1 
ATOM   1193 O  O     . HIS B 1 42  ? -8.68838  -24.49755 8.28203   1.000 25.99637 ? 42  HIS B O     1 
ATOM   1194 C  CB    . HIS B 1 42  ? -8.22871  -21.97418 9.88011   1.000 20.52551 ? 42  HIS B CB    1 
ATOM   1195 C  CG    . HIS B 1 42  ? -8.98908  -20.88938 9.19645   1.000 23.04329 ? 42  HIS B CG    1 
ATOM   1196 N  ND1   . HIS B 1 42  ? -10.15675 -20.37249 9.71213   1.000 26.45311 ? 42  HIS B ND1   1 
ATOM   1197 C  CD2   . HIS B 1 42  ? -8.75162  -20.21641 8.04447   1.000 23.61257 ? 42  HIS B CD2   1 
ATOM   1198 C  CE1   . HIS B 1 42  ? -10.60539 -19.42572 8.91017   1.000 29.18656 ? 42  HIS B CE1   1 
ATOM   1199 N  NE2   . HIS B 1 42  ? -9.77191  -19.30896 7.89045   1.000 24.56382 ? 42  HIS B NE2   1 
ATOM   1200 N  N     . ILE B 1 43  ? -10.82366 -23.88705 8.68534   1.000 25.43268 ? 43  ILE B N     1 
ATOM   1201 C  CA    . ILE B 1 43  ? -11.36037 -24.52643 7.48798   1.000 25.83074 ? 43  ILE B CA    1 
ATOM   1202 C  C     . ILE B 1 43  ? -11.83162 -23.44123 6.53686   1.000 29.61999 ? 43  ILE B C     1 
ATOM   1203 O  O     . ILE B 1 43  ? -12.50404 -22.48775 6.94900   1.000 27.94704 ? 43  ILE B O     1 
ATOM   1204 C  CB    . ILE B 1 43  ? -12.51621 -25.49973 7.78029   1.000 30.23706 ? 43  ILE B CB    1 
ATOM   1205 C  CG1   . ILE B 1 43  ? -12.18787 -26.46200 8.90927   1.000 33.78472 ? 43  ILE B CG1   1 
ATOM   1206 C  CG2   . ILE B 1 43  ? -12.83383 -26.32811 6.54230   1.000 25.65646 ? 43  ILE B CG2   1 
ATOM   1207 C  CD1   . ILE B 1 43  ? -13.19864 -26.38721 10.01165  1.000 39.40451 ? 43  ILE B CD1   1 
ATOM   1208 N  N     . VAL B 1 44  ? -11.48391 -23.59356 5.26584   1.000 24.26621 ? 44  VAL B N     1 
ATOM   1209 C  CA    . VAL B 1 44  ? -11.98542 -22.75291 4.19235   1.000 25.92484 ? 44  VAL B CA    1 
ATOM   1210 C  C     . VAL B 1 44  ? -12.56911 -23.67699 3.13461   1.000 30.61450 ? 44  VAL B C     1 
ATOM   1211 O  O     . VAL B 1 44  ? -12.02031 -24.75345 2.87741   1.000 30.82382 ? 44  VAL B O     1 
ATOM   1212 C  CB    . VAL B 1 44  ? -10.84783 -21.87057 3.63123   1.000 30.19812 ? 44  VAL B CB    1 
ATOM   1213 C  CG1   . VAL B 1 44  ? -11.20757 -21.23821 2.29071   1.000 33.92139 ? 44  VAL B CG1   1 
ATOM   1214 C  CG2   . VAL B 1 44  ? -10.44583 -20.83209 4.66622   1.000 27.40538 ? 44  VAL B CG2   1 
ATOM   1215 N  N     . TYR B 1 45  ? -13.69753 -23.28311 2.54816   1.000 32.70709 ? 45  TYR B N     1 
ATOM   1216 C  CA    . TYR B 1 45  ? -14.50630 -24.18085 1.73760   1.000 30.74872 ? 45  TYR B CA    1 
ATOM   1217 C  C     . TYR B 1 45  ? -14.48681 -23.70944 0.29153   1.000 33.46185 ? 45  TYR B C     1 
ATOM   1218 O  O     . TYR B 1 45  ? -14.58647 -22.50830 0.02055   1.000 34.71931 ? 45  TYR B O     1 
ATOM   1219 C  CB    . TYR B 1 45  ? -15.95902 -24.25217 2.22970   1.000 40.19106 ? 45  TYR B CB    1 
ATOM   1220 C  CG    . TYR B 1 45  ? -16.14671 -24.76207 3.64628   1.000 36.64874 ? 45  TYR B CG    1 
ATOM   1221 C  CD1   . TYR B 1 45  ? -15.72818 -24.01625 4.74411   1.000 34.93449 ? 45  TYR B CD1   1 
ATOM   1222 C  CD2   . TYR B 1 45  ? -16.73424 -25.99671 3.88307   1.000 35.68321 ? 45  TYR B CD2   1 
ATOM   1223 C  CE1   . TYR B 1 45  ? -15.89253 -24.47732 6.02663   1.000 31.16937 ? 45  TYR B CE1   1 
ATOM   1224 C  CE2   . TYR B 1 45  ? -16.90398 -26.46727 5.16914   1.000 38.52719 ? 45  TYR B CE2   1 
ATOM   1225 C  CZ    . TYR B 1 45  ? -16.47623 -25.70030 6.23362   1.000 36.05783 ? 45  TYR B CZ    1 
ATOM   1226 O  OH    . TYR B 1 45  ? -16.63648 -26.15523 7.51450   1.000 34.29677 ? 45  TYR B OH    1 
ATOM   1227 N  N     . LYS B 1 46  ? -14.36192 -24.66097 -0.63210  1.000 34.96880 ? 46  LYS B N     1 
ATOM   1228 C  CA    . LYS B 1 46  ? -14.57918 -24.39311 -2.05239  1.000 38.72024 ? 46  LYS B CA    1 
ATOM   1229 C  C     . LYS B 1 46  ? -14.89420 -25.71461 -2.72880  1.000 44.39293 ? 46  LYS B C     1 
ATOM   1230 O  O     . LYS B 1 46  ? -14.08038 -26.63751 -2.65332  1.000 40.86025 ? 46  LYS B O     1 
ATOM   1231 C  CB    . LYS B 1 46  ? -13.34211 -23.74962 -2.68392  1.000 41.27990 ? 46  LYS B CB    1 
ATOM   1232 C  CG    . LYS B 1 46  ? -13.62571 -22.94541 -3.94139  1.000 44.31330 ? 46  LYS B CG    1 
ATOM   1233 C  CD    . LYS B 1 46  ? -14.59193 -21.81046 -3.64478  1.000 54.34905 ? 46  LYS B CD    1 
ATOM   1234 C  CE    . LYS B 1 46  ? -14.78554 -20.91495 -4.85617  1.000 57.44020 ? 46  LYS B CE    1 
ATOM   1235 N  NZ    . LYS B 1 46  ? -16.05693 -20.14450 -4.77156  1.000 56.70153 ? 46  LYS B NZ    1 
ATOM   1236 N  N     . ASN B 1 47  ? -16.06112 -25.80253 -3.38044  1.000 44.57085 ? 47  ASN B N     1 
ATOM   1237 C  CA    . ASN B 1 47  ? -16.33174 -26.79492 -4.43048  1.000 52.83259 ? 47  ASN B CA    1 
ATOM   1238 C  C     . ASN B 1 47  ? -16.21023 -28.22533 -3.90789  1.000 55.10819 ? 47  ASN B C     1 
ATOM   1239 O  O     . ASN B 1 47  ? -15.56248 -29.07271 -4.52759  1.000 63.38849 ? 47  ASN B O     1 
ATOM   1240 C  CB    . ASN B 1 47  ? -15.41875 -26.58789 -5.64181  1.000 57.07061 ? 47  ASN B CB    1 
ATOM   1241 C  CG    . ASN B 1 47  ? -15.70144 -25.29088 -6.37084  1.000 65.97704 ? 47  ASN B CG    1 
ATOM   1242 O  OD1   . ASN B 1 47  ? -16.80945 -24.75701 -6.30573  1.000 71.32694 ? 47  ASN B OD1   1 
ATOM   1243 N  ND2   . ASN B 1 47  ? -14.69881 -24.77747 -7.07461  1.000 69.25405 ? 47  ASN B ND2   1 
ATOM   1244 N  N     . SER B 1 48  ? -16.79920 -28.47043 -2.73314  1.000 53.44167 ? 48  SER B N     1 
ATOM   1245 C  CA    . SER B 1 48  ? -16.76009 -29.71932 -1.96711  1.000 50.72101 ? 48  SER B CA    1 
ATOM   1246 C  C     . SER B 1 48  ? -15.36618 -30.07838 -1.46123  1.000 50.26511 ? 48  SER B C     1 
ATOM   1247 O  O     . SER B 1 48  ? -15.16909 -31.19479 -0.96537  1.000 55.99660 ? 48  SER B O     1 
ATOM   1248 C  CB    . SER B 1 48  ? -17.33574 -30.90820 -2.75223  1.000 56.18712 ? 48  SER B CB    1 
ATOM   1249 O  OG    . SER B 1 48  ? -18.71707 -30.72918 -3.01093  1.000 64.55212 ? 48  SER B OG    1 
ATOM   1250 N  N     . LYS B 1 49  ? -14.39852 -29.16928 -1.55084  1.000 43.90620 ? 49  LYS B N     1 
ATOM   1251 C  CA    . LYS B 1 49  ? -13.11245 -29.32126 -0.88745  1.000 38.32888 ? 49  LYS B CA    1 
ATOM   1252 C  C     . LYS B 1 49  ? -13.10144 -28.50900 0.40124   1.000 34.80766 ? 49  LYS B C     1 
ATOM   1253 O  O     . LYS B 1 49  ? -13.72107 -27.44637 0.49062   1.000 36.54967 ? 49  LYS B O     1 
ATOM   1254 C  CB    . LYS B 1 49  ? -11.96838 -28.86217 -1.79624  1.000 39.30030 ? 49  LYS B CB    1 
ATOM   1255 C  CG    . LYS B 1 49  ? -11.57340 -29.84349 -2.88661  1.000 48.40601 ? 49  LYS B CG    1 
ATOM   1256 C  CD    . LYS B 1 49  ? -10.33127 -29.35811 -3.62362  1.000 51.63806 ? 49  LYS B CD    1 
ATOM   1257 C  CE    . LYS B 1 49  ? -9.95270  -30.29329 -4.76555  1.000 55.43480 ? 49  LYS B CE    1 
ATOM   1258 N  NZ    . LYS B 1 49  ? -8.55178  -30.07292 -5.23013  1.000 49.91766 ? 49  LYS B NZ    1 
ATOM   1259 N  N     . ARG B 1 50  ? -12.38590 -29.01678 1.40221   1.000 37.53243 ? 50  ARG B N     1 
ATOM   1260 C  CA    . ARG B 1 50  ? -12.15199 -28.29561 2.64985   1.000 34.68343 ? 50  ARG B CA    1 
ATOM   1261 C  C     . ARG B 1 50  ? -10.65344 -28.09635 2.81640   1.000 34.53553 ? 50  ARG B C     1 
ATOM   1262 O  O     . ARG B 1 50  ? -9.92406  -29.05477 3.08773   1.000 39.59635 ? 50  ARG B O     1 
ATOM   1263 C  CB    . ARG B 1 50  ? -12.73262 -29.05477 3.83910   1.000 36.08635 ? 50  ARG B CB    1 
ATOM   1264 C  CG    . ARG B 1 50  ? -14.23540 -28.96350 3.95868   1.000 44.09172 ? 50  ARG B CG    1 
ATOM   1265 C  CD    . ARG B 1 50  ? -14.69350 -29.47044 5.31264   1.000 48.03625 ? 50  ARG B CD    1 
ATOM   1266 N  NE    . ARG B 1 50  ? -16.13976 -29.62898 5.36886   1.000 53.41803 ? 50  ARG B NE    1 
ATOM   1267 C  CZ    . ARG B 1 50  ? -16.75636 -30.77382 5.62109   1.000 51.38624 ? 50  ARG B CZ    1 
ATOM   1268 N  NH1   . ARG B 1 50  ? -16.07841 -31.88566 5.85679   1.000 56.87649 ? 50  ARG B NH1   1 
ATOM   1269 N  NH2   . ARG B 1 50  ? -18.08610 -30.80328 5.64018   1.000 55.24997 ? 50  ARG B NH2   1 
ATOM   1270 N  N     . TYR B 1 51  ? -10.19996 -26.85580 2.66460   1.000 27.55132 ? 51  TYR B N     1 
ATOM   1271 C  CA    . TYR B 1 51  ? -8.81065  -26.50742 2.92419   1.000 26.48060 ? 51  TYR B CA    1 
ATOM   1272 C  C     . TYR B 1 51  ? -8.60009  -26.22630 4.40633   1.000 30.41120 ? 51  TYR B C     1 
ATOM   1273 O  O     . TYR B 1 51  ? -9.37401  -25.48828 5.02060   1.000 26.67342 ? 51  TYR B O     1 
ATOM   1274 C  CB    . TYR B 1 51  ? -8.41260  -25.28463 2.09677   1.000 28.94175 ? 51  TYR B CB    1 
ATOM   1275 C  CG    . TYR B 1 51  ? -8.48586  -25.51673 0.60608   1.000 31.88712 ? 51  TYR B CG    1 
ATOM   1276 C  CD1   . TYR B 1 51  ? -7.40712  -26.05510 -0.08016  1.000 31.81960 ? 51  TYR B CD1   1 
ATOM   1277 C  CD2   . TYR B 1 51  ? -9.64018  -25.22196 -0.11182  1.000 31.43449 ? 51  TYR B CD2   1 
ATOM   1278 C  CE1   . TYR B 1 51  ? -7.46890  -26.28358 -1.44425  1.000 35.28256 ? 51  TYR B CE1   1 
ATOM   1279 C  CE2   . TYR B 1 51  ? -9.70944  -25.44505 -1.48001  1.000 34.86302 ? 51  TYR B CE2   1 
ATOM   1280 C  CZ    . TYR B 1 51  ? -8.62052  -25.97897 -2.13859  1.000 36.82158 ? 51  TYR B CZ    1 
ATOM   1281 O  OH    . TYR B 1 51  ? -8.67480  -26.20520 -3.49856  1.000 40.85149 ? 51  TYR B OH    1 
ATOM   1282 N  N     . ILE B 1 52  ? -7.53521  -26.79327 4.96892   1.000 28.36720 ? 52  ILE B N     1 
ATOM   1283 C  CA    . ILE B 1 52  ? -7.34746  -26.89954 6.41192   1.000 24.76076 ? 52  ILE B CA    1 
ATOM   1284 C  C     . ILE B 1 52  ? -6.01319  -26.26000 6.76971   1.000 29.90676 ? 52  ILE B C     1 
ATOM   1285 O  O     . ILE B 1 52  ? -4.99871  -26.52075 6.11221   1.000 27.47125 ? 52  ILE B O     1 
ATOM   1286 C  CB    . ILE B 1 52  ? -7.40944  -28.36756 6.87775   1.000 26.24107 ? 52  ILE B CB    1 
ATOM   1287 C  CG1   . ILE B 1 52  ? -8.85960  -28.84512 6.92055   1.000 25.52935 ? 52  ILE B CG1   1 
ATOM   1288 C  CG2   . ILE B 1 52  ? -6.71754  -28.57048 8.22536   1.000 29.72264 ? 52  ILE B CG2   1 
ATOM   1289 C  CD1   . ILE B 1 52  ? -8.99121  -30.34472 6.89735   1.000 32.56420 ? 52  ILE B CD1   1 
ATOM   1290 N  N     . TYR B 1 53  ? -6.02016  -25.40337 7.79292   1.000 21.88010 ? 53  TYR B N     1 
ATOM   1291 C  CA    . TYR B 1 53  ? -4.82905  -24.66261 8.19936   1.000 25.43413 ? 53  TYR B CA    1 
ATOM   1292 C  C     . TYR B 1 53  ? -4.71852  -24.74696 9.71394   1.000 31.60739 ? 53  TYR B C     1 
ATOM   1293 O  O     . TYR B 1 53  ? -5.57980  -24.23848 10.43534  1.000 26.03955 ? 53  TYR B O     1 
ATOM   1294 C  CB    . TYR B 1 53  ? -4.88198  -23.21281 7.70203   1.000 25.91643 ? 53  TYR B CB    1 
ATOM   1295 C  CG    . TYR B 1 53  ? -5.10752  -23.15775 6.20659   1.000 24.04049 ? 53  TYR B CG    1 
ATOM   1296 C  CD1   . TYR B 1 53  ? -4.03560  -23.22213 5.32318   1.000 24.54421 ? 53  TYR B CD1   1 
ATOM   1297 C  CD2   . TYR B 1 53  ? -6.39291  -23.10499 5.67515   1.000 25.63431 ? 53  TYR B CD2   1 
ATOM   1298 C  CE1   . TYR B 1 53  ? -4.23578  -23.21338 3.95265   1.000 29.92293 ? 53  TYR B CE1   1 
ATOM   1299 C  CE2   . TYR B 1 53  ? -6.60098  -23.10564 4.30964   1.000 27.50596 ? 53  TYR B CE2   1 
ATOM   1300 C  CZ    . TYR B 1 53  ? -5.52093  -23.15294 3.45374   1.000 26.03037 ? 53  TYR B CZ    1 
ATOM   1301 O  OH    . TYR B 1 53  ? -5.72765  -23.14224 2.09379   1.000 29.85429 ? 53  TYR B OH    1 
ATOM   1302 N  N     . ILE B 1 54  ? -3.67503  -25.41405 10.18948  1.000 28.12042 ? 54  ILE B N     1 
ATOM   1303 C  CA    . ILE B 1 54  ? -3.52075  -25.74076 11.59936  1.000 27.60758 ? 54  ILE B CA    1 
ATOM   1304 C  C     . ILE B 1 54  ? -2.52627  -24.76159 12.20169  1.000 31.64001 ? 54  ILE B C     1 
ATOM   1305 O  O     . ILE B 1 54  ? -1.37747  -24.67917 11.74573  1.000 27.05695 ? 54  ILE B O     1 
ATOM   1306 C  CB    . ILE B 1 54  ? -3.04861  -27.18970 11.79822  1.000 24.81657 ? 54  ILE B CB    1 
ATOM   1307 C  CG1   . ILE B 1 54  ? -4.11842  -28.18014 11.33929  1.000 31.53592 ? 54  ILE B CG1   1 
ATOM   1308 C  CG2   . ILE B 1 54  ? -2.68801  -27.43445 13.25530  1.000 27.89162 ? 54  ILE B CG2   1 
ATOM   1309 C  CD1   . ILE B 1 54  ? -3.59299  -29.58328 11.14038  1.000 36.26498 ? 54  ILE B CD1   1 
ATOM   1310 N  N     . GLY B 1 55  ? -2.96147  -24.04244 13.23248  1.000 26.47749 ? 55  GLY B N     1 
ATOM   1311 C  CA    . GLY B 1 55  ? -2.05754  -23.16645 13.97503  1.000 24.65735 ? 55  GLY B CA    1 
ATOM   1312 C  C     . GLY B 1 55  ? -1.39003  -22.11431 13.11934  1.000 28.43916 ? 55  GLY B C     1 
ATOM   1313 O  O     . GLY B 1 55  ? -0.18591  -21.86617 13.26004  1.000 26.00597 ? 55  GLY B O     1 
ATOM   1314 N  N     . LYS B 1 56  ? -2.13653  -21.52584 12.19156  1.000 23.92189 ? 56  LYS B N     1 
ATOM   1315 C  CA    . LYS B 1 56  ? -1.57454  -20.62901 11.18958  1.000 28.04440 ? 56  LYS B CA    1 
ATOM   1316 C  C     . LYS B 1 56  ? -2.01455  -19.18846 11.36638  1.000 22.33887 ? 56  LYS B C     1 
ATOM   1317 O  O     . LYS B 1 56  ? -1.22822  -18.27082 11.11524  1.000 24.89637 ? 56  LYS B O     1 
ATOM   1318 C  CB    . LYS B 1 56  ? -1.95251  -21.10404 9.78013   1.000 32.93676 ? 56  LYS B CB    1 
ATOM   1319 C  CG    . LYS B 1 56  ? -1.17891  -20.40536 8.66927   1.000 32.17825 ? 56  LYS B CG    1 
ATOM   1320 C  CD    . LYS B 1 56  ? 0.01258   -21.22796 8.22053   1.000 38.25630 ? 56  LYS B CD    1 
ATOM   1321 C  CE    . LYS B 1 56  ? 0.50493   -20.77273 6.85718   1.000 37.00945 ? 56  LYS B CE    1 
ATOM   1322 N  NZ    . LYS B 1 56  ? -0.00066  -21.62831 5.74474   1.000 32.79159 ? 56  LYS B NZ    1 
ATOM   1323 N  N     . TYR B 1 57  ? -3.25327  -18.96003 11.79269  1.000 20.70088 ? 57  TYR B N     1 
ATOM   1324 C  CA    . TYR B 1 57  ? -3.87074  -17.64401 11.71335  1.000 16.67212 ? 57  TYR B CA    1 
ATOM   1325 C  C     . TYR B 1 57  ? -4.16200  -17.14252 13.11659  1.000 21.65418 ? 57  TYR B C     1 
ATOM   1326 O  O     . TYR B 1 57  ? -4.78095  -17.84950 13.91998  1.000 22.06337 ? 57  TYR B O     1 
ATOM   1327 C  CB    . TYR B 1 57  ? -5.14139  -17.68844 10.86671  1.000 17.38007 ? 57  TYR B CB    1 
ATOM   1328 C  CG    . TYR B 1 57  ? -4.85542  -18.12214 9.44641   1.000 18.65958 ? 57  TYR B CG    1 
ATOM   1329 C  CD1   . TYR B 1 57  ? -3.90212  -17.45378 8.67953   1.000 27.27009 ? 57  TYR B CD1   1 
ATOM   1330 C  CD2   . TYR B 1 57  ? -5.49600  -19.21914 8.88608   1.000 22.08339 ? 57  TYR B CD2   1 
ATOM   1331 C  CE1   . TYR B 1 57  ? -3.61718  -17.84589 7.38189   1.000 20.94339 ? 57  TYR B CE1   1 
ATOM   1332 C  CE2   . TYR B 1 57  ? -5.21248  -19.62487 7.57825   1.000 22.78499 ? 57  TYR B CE2   1 
ATOM   1333 C  CZ    . TYR B 1 57  ? -4.27328  -18.93187 6.83796   1.000 22.72887 ? 57  TYR B CZ    1 
ATOM   1334 O  OH    . TYR B 1 57  ? -3.98792  -19.32435 5.54761   1.000 29.77449 ? 57  TYR B OH    1 
ATOM   1335 N  N     . TRP B 1 58  ? -3.69127  -15.93406 13.40613  1.000 20.83340 ? 58  TRP B N     1 
ATOM   1336 C  CA    . TRP B 1 58  ? -3.95646  -15.27144 14.66824  1.000 20.14606 ? 58  TRP B CA    1 
ATOM   1337 C  C     . TRP B 1 58  ? -5.20613  -14.41286 14.56247  1.000 23.30839 ? 58  TRP B C     1 
ATOM   1338 O  O     . TRP B 1 58  ? -5.43153  -13.73706 13.55410  1.000 20.77567 ? 58  TRP B O     1 
ATOM   1339 C  CB    . TRP B 1 58  ? -2.77651  -14.39787 15.08503  1.000 22.22127 ? 58  TRP B CB    1 
ATOM   1340 C  CG    . TRP B 1 58  ? -1.53238  -15.14554 15.40317  1.000 25.13119 ? 58  TRP B CG    1 
ATOM   1341 C  CD1   . TRP B 1 58  ? -0.58953  -15.59252 14.52242  1.000 26.98102 ? 58  TRP B CD1   1 
ATOM   1342 C  CD2   . TRP B 1 58  ? -1.07892  -15.52114 16.70486  1.000 22.66856 ? 58  TRP B CD2   1 
ATOM   1343 N  NE1   . TRP B 1 58  ? 0.42364   -16.22665 15.20089  1.000 28.27387 ? 58  TRP B NE1   1 
ATOM   1344 C  CE2   . TRP B 1 58  ? 0.14432   -16.19714 16.54280  1.000 27.73624 ? 58  TRP B CE2   1 
ATOM   1345 C  CE3   . TRP B 1 58  ? -1.59710  -15.36207 17.99352  1.000 25.20941 ? 58  TRP B CE3   1 
ATOM   1346 C  CZ2   . TRP B 1 58  ? 0.86130   -16.70678 17.62147  1.000 25.95397 ? 58  TRP B CZ2   1 
ATOM   1347 C  CZ3   . TRP B 1 58  ? -0.88182  -15.86420 19.06248  1.000 27.46778 ? 58  TRP B CZ3   1 
ATOM   1348 C  CH2   . TRP B 1 58  ? 0.33387   -16.52596 18.87044  1.000 25.80231 ? 58  TRP B CH2   1 
ATOM   1349 N  N     . TYR B 1 59  ? -6.00483  -14.43266 15.62378  1.000 21.41620 ? 59  TYR B N     1 
ATOM   1350 C  CA    . TYR B 1 59  ? -7.13310  -13.53423 15.77631  1.000 25.62376 ? 59  TYR B CA    1 
ATOM   1351 C  C     . TYR B 1 59  ? -7.09781  -12.90069 17.15996  1.000 22.47043 ? 59  TYR B C     1 
ATOM   1352 O  O     . TYR B 1 59  ? -6.56493  -13.47242 18.11291  1.000 23.85192 ? 59  TYR B O     1 
ATOM   1353 C  CB    . TYR B 1 59  ? -8.47879  -14.25845 15.57051  1.000 20.72636 ? 59  TYR B CB    1 
ATOM   1354 C  CG    . TYR B 1 59  ? -8.71782  -14.79213 14.17365  1.000 20.87350 ? 59  TYR B CG    1 
ATOM   1355 C  CD1   . TYR B 1 59  ? -8.22408  -16.03016 13.78710  1.000 18.65653 ? 59  TYR B CD1   1 
ATOM   1356 C  CD2   . TYR B 1 59  ? -9.45664  -14.06357 13.24863  1.000 19.61765 ? 59  TYR B CD2   1 
ATOM   1357 C  CE1   . TYR B 1 59  ? -8.44954  -16.52279 12.52172  1.000 24.51884 ? 59  TYR B CE1   1 
ATOM   1358 C  CE2   . TYR B 1 59  ? -9.68879  -14.54941 11.97711  1.000 18.56293 ? 59  TYR B CE2   1 
ATOM   1359 C  CZ    . TYR B 1 59  ? -9.18245  -15.78291 11.62118  1.000 23.90250 ? 59  TYR B CZ    1 
ATOM   1360 O  OH    . TYR B 1 59  ? -9.40562  -16.28599 10.36057  1.000 23.01433 ? 59  TYR B OH    1 
ATOM   1361 N  N     . LYS B 1 60  ? -7.67604  -11.71241 17.25929  1.000 23.12445 ? 60  LYS B N     1 
ATOM   1362 C  CA    . LYS B 1 60  ? -8.12882  -11.16746 18.52899  1.000 21.63239 ? 60  LYS B CA    1 
ATOM   1363 C  C     . LYS B 1 60  ? -9.61900  -11.43960 18.65897  1.000 25.06599 ? 60  LYS B C     1 
ATOM   1364 O  O     . LYS B 1 60  ? -10.40386 -11.04255 17.79063  1.000 25.95245 ? 60  LYS B O     1 
ATOM   1365 C  CB    . LYS B 1 60  ? -7.84188  -9.66924  18.60781  1.000 26.64339 ? 60  LYS B CB    1 
ATOM   1366 C  CG    . LYS B 1 60  ? -8.46506  -8.97035  19.80421  1.000 25.23632 ? 60  LYS B CG    1 
ATOM   1367 C  CD    . LYS B 1 60  ? -7.73375  -9.31824  21.09181  1.000 29.78157 ? 60  LYS B CD    1 
ATOM   1368 C  CE    . LYS B 1 60  ? -8.64726  -9.19716  22.30059  1.000 30.48546 ? 60  LYS B CE    1 
ATOM   1369 N  NZ    . LYS B 1 60  ? -7.90624  -9.31566  23.58227  1.000 27.75399 ? 60  LYS B NZ    1 
ATOM   1370 N  N     . LEU B 1 61  ? -10.00491 -12.12166 19.73208  1.000 26.38034 ? 61  LEU B N     1 
ATOM   1371 C  CA    . LEU B 1 61  ? -11.40959 -12.35845 20.02859  1.000 23.85113 ? 61  LEU B CA    1 
ATOM   1372 C  C     . LEU B 1 61  ? -11.93767 -11.24239 20.91717  1.000 25.22510 ? 61  LEU B C     1 
ATOM   1373 O  O     . LEU B 1 61  ? -11.36069 -10.95840 21.96992  1.000 29.31627 ? 61  LEU B O     1 
ATOM   1374 C  CB    . LEU B 1 61  ? -11.58951 -13.70551 20.72411  1.000 27.27802 ? 61  LEU B CB    1 
ATOM   1375 C  CG    . LEU B 1 61  ? -11.10659 -14.91355 19.92608  1.000 27.67304 ? 61  LEU B CG    1 
ATOM   1376 C  CD1   . LEU B 1 61  ? -11.38897 -16.16927 20.70637  1.000 24.87565 ? 61  LEU B CD1   1 
ATOM   1377 C  CD2   . LEU B 1 61  ? -11.78206 -14.95629 18.56587  1.000 27.02311 ? 61  LEU B CD2   1 
ATOM   1378 N  N     . GLU B 1 62  ? -13.04139 -10.62884 20.49942  1.000 30.32407 ? 62  GLU B N     1 
ATOM   1379 C  CA    . GLU B 1 62  ? -13.72461 -9.60518  21.27576  1.000 29.55085 ? 62  GLU B CA    1 
ATOM   1380 C  C     . GLU B 1 62  ? -15.16715 -10.04307 21.49163  1.000 36.13758 ? 62  GLU B C     1 
ATOM   1381 O  O     . GLU B 1 62  ? -15.78917 -10.62656 20.60055  1.000 28.81727 ? 62  GLU B O     1 
ATOM   1382 C  CB    . GLU B 1 62  ? -13.70808 -8.24200  20.55278  1.000 29.98891 ? 62  GLU B CB    1 
ATOM   1383 C  CG    . GLU B 1 62  ? -12.35617 -7.52283  20.46140  1.000 41.34067 ? 62  GLU B CG    1 
ATOM   1384 C  CD    . GLU B 1 62  ? -11.80484 -7.02083  21.78527  1.000 46.70305 ? 62  GLU B CD    1 
ATOM   1385 O  OE1   . GLU B 1 62  ? -12.56074 -6.93763  22.77744  1.000 36.25016 ? 62  GLU B OE1   1 
ATOM   1386 O  OE2   . GLU B 1 62  ? -10.60745 -6.66150  21.81628  1.000 42.84910 ? 62  GLU B OE2   1 
ATOM   1387 N  N     . LYS B 1 63  ? -15.70838 -9.73787  22.67164  1.000 35.59597 ? 63  LYS B N     1 
ATOM   1388 C  CA    . LYS B 1 63  ? -17.13789 -9.87790  22.93866  1.000 33.65414 ? 63  LYS B CA    1 
ATOM   1389 C  C     . LYS B 1 63  ? -17.77755 -8.50276  22.84372  1.000 37.78119 ? 63  LYS B C     1 
ATOM   1390 O  O     . LYS B 1 63  ? -17.51009 -7.62885  23.67663  1.000 39.43900 ? 63  LYS B O     1 
ATOM   1391 C  CB    . LYS B 1 63  ? -17.40312 -10.49127 24.31084  1.000 41.08871 ? 63  LYS B CB    1 
ATOM   1392 C  CG    . LYS B 1 63  ? -18.75093 -11.18535 24.41401  1.000 54.13841 ? 63  LYS B CG    1 
ATOM   1393 C  CD    . LYS B 1 63  ? -18.81944 -12.35395 23.43978  1.000 50.91108 ? 63  LYS B CD    1 
ATOM   1394 C  CE    . LYS B 1 63  ? -17.79765 -13.42391 23.79934  1.000 43.78527 ? 63  LYS B CE    1 
ATOM   1395 N  NZ    . LYS B 1 63  ? -18.40069 -14.77992 23.79263  1.000 56.51751 ? 63  LYS B NZ    1 
ATOM   1396 N  N     . ILE B 1 64  ? -18.63405 -8.31996  21.84262  1.000 32.13155 ? 64  ILE B N     1 
ATOM   1397 C  CA    . ILE B 1 64  ? -19.34702 -7.06673  21.62896  1.000 34.86999 ? 64  ILE B CA    1 
ATOM   1398 C  C     . ILE B 1 64  ? -20.83911 -7.36254  21.63427  1.000 39.62033 ? 64  ILE B C     1 
ATOM   1399 O  O     . ILE B 1 64  ? -21.33318 -8.09280  20.76648  1.000 47.73354 ? 64  ILE B O     1 
ATOM   1400 C  CB    . ILE B 1 64  ? -18.93605 -6.39258  20.31197  1.000 41.17655 ? 64  ILE B CB    1 
ATOM   1401 C  CG1   . ILE B 1 64  ? -17.42279 -6.14663  20.27229  1.000 38.65958 ? 64  ILE B CG1   1 
ATOM   1402 C  CG2   . ILE B 1 64  ? -19.72237 -5.11580  20.12420  1.000 41.77377 ? 64  ILE B CG2   1 
ATOM   1403 C  CD1   . ILE B 1 64  ? -16.89896 -5.32191  21.42706  1.000 44.81408 ? 64  ILE B CD1   1 
ATOM   1404 N  N     . GLY B 1 65  ? -21.55379 -6.78116  22.59487  1.000 42.11770 ? 65  GLY B N     1 
ATOM   1405 C  CA    . GLY B 1 65  ? -22.99884 -6.93129  22.66214  1.000 51.10774 ? 65  GLY B CA    1 
ATOM   1406 C  C     . GLY B 1 65  ? -23.46310 -8.35515  22.86411  1.000 53.19900 ? 65  GLY B C     1 
ATOM   1407 O  O     . GLY B 1 65  ? -24.54963 -8.71860  22.40246  1.000 56.86314 ? 65  GLY B O     1 
ATOM   1408 N  N     . GLY B 1 66  ? -22.65813 -9.18033  23.52893  1.000 51.39316 ? 66  GLY B N     1 
ATOM   1409 C  CA    . GLY B 1 66  ? -22.95865 -10.58975 23.64516  1.000 53.99878 ? 66  GLY B CA    1 
ATOM   1410 C  C     . GLY B 1 66  ? -22.58059 -11.43809 22.45357  1.000 49.45522 ? 66  GLY B C     1 
ATOM   1411 O  O     . GLY B 1 66  ? -22.95803 -12.61419 22.41154  1.000 53.21357 ? 66  GLY B O     1 
ATOM   1412 N  N     . LYS B 1 67  ? -21.85032 -10.89082 21.48382  1.000 37.55964 ? 67  LYS B N     1 
ATOM   1413 C  CA    . LYS B 1 67  ? -21.46645 -11.62463 20.28628  1.000 37.51296 ? 67  LYS B CA    1 
ATOM   1414 C  C     . LYS B 1 67  ? -19.95518 -11.69428 20.16409  1.000 35.64422 ? 67  LYS B C     1 
ATOM   1415 O  O     . LYS B 1 67  ? -19.25322 -10.71161 20.41839  1.000 33.57655 ? 67  LYS B O     1 
ATOM   1416 C  CB    . LYS B 1 67  ? -22.05806 -10.99156 19.02757  1.000 41.72291 ? 67  LYS B CB    1 
ATOM   1417 C  CG    . LYS B 1 67  ? -23.55867 -10.82755 19.08715  1.000 40.96573 ? 67  LYS B CG    1 
ATOM   1418 C  CD    . LYS B 1 67  ? -24.18853 -12.08083 18.52065  1.000 41.78452 ? 67  LYS B CD    1 
ATOM   1419 C  CE    . LYS B 1 67  ? -25.42372 -11.76043 17.71603  1.000 54.92843 ? 67  LYS B CE    1 
ATOM   1420 N  NZ    . LYS B 1 67  ? -25.11723 -11.31092 16.33052  1.000 54.41946 ? 67  LYS B NZ    1 
ATOM   1421 N  N     . LEU B 1 68  ? -19.46678 -12.86619 19.76931  1.000 32.83518 ? 68  LEU B N     1 
ATOM   1422 C  CA    . LEU B 1 68  ? -18.04637 -13.07424 19.55238  1.000 27.83598 ? 68  LEU B CA    1 
ATOM   1423 C  C     . LEU B 1 68  ? -17.63304 -12.43185 18.23279  1.000 28.17336 ? 68  LEU B C     1 
ATOM   1424 O  O     . LEU B 1 68  ? -18.27868 -12.64059 17.20220  1.000 25.74274 ? 68  LEU B O     1 
ATOM   1425 C  CB    . LEU B 1 68  ? -17.74427 -14.57118 19.55163  1.000 25.57093 ? 68  LEU B CB    1 
ATOM   1426 C  CG    . LEU B 1 68  ? -16.30118 -15.03260 19.43704  1.000 29.17398 ? 68  LEU B CG    1 
ATOM   1427 C  CD1   . LEU B 1 68  ? -15.48708 -14.48512 20.58784  1.000 30.72574 ? 68  LEU B CD1   1 
ATOM   1428 C  CD2   . LEU B 1 68  ? -16.27728 -16.54773 19.42809  1.000 33.19046 ? 68  LEU B CD2   1 
ATOM   1429 N  N     . LYS B 1 69  ? -16.57174 -11.63309 18.26849  1.000 26.52641 ? 69  LYS B N     1 
ATOM   1430 C  CA    . LYS B 1 69  ? -16.02669 -10.99805 17.07699  1.000 25.02462 ? 69  LYS B CA    1 
ATOM   1431 C  C     . LYS B 1 69  ? -14.61463 -11.50324 16.83602  1.000 27.26898 ? 69  LYS B C     1 
ATOM   1432 O  O     . LYS B 1 69  ? -13.82081 -11.62976 17.77481  1.000 25.86345 ? 69  LYS B O     1 
ATOM   1433 C  CB    . LYS B 1 69  ? -16.01356 -9.46941  17.20269  1.000 25.51654 ? 69  LYS B CB    1 
ATOM   1434 C  CG    . LYS B 1 69  ? -17.36324 -8.84446  17.53063  1.000 27.25863 ? 69  LYS B CG    1 
ATOM   1435 C  CD    . LYS B 1 69  ? -18.42529 -9.22872  16.51130  1.000 26.37022 ? 69  LYS B CD    1 
ATOM   1436 C  CE    . LYS B 1 69  ? -19.79624 -8.73502  16.95301  1.000 38.14667 ? 69  LYS B CE    1 
ATOM   1437 N  NZ    . LYS B 1 69  ? -20.82866 -8.86305  15.88793  1.000 35.62141 ? 69  LYS B NZ    1 
ATOM   1438 N  N     . TRP B 1 70  ? -14.31212 -11.79030 15.57448  1.000 22.24378 ? 70  TRP B N     1 
ATOM   1439 C  CA    . TRP B 1 70  ? -13.02493 -12.34070 15.16334  1.000 22.34116 ? 70  TRP B CA    1 
ATOM   1440 C  C     . TRP B 1 70  ? -12.26531 -11.26222 14.40063  1.000 26.11174 ? 70  TRP B C     1 
ATOM   1441 O  O     . TRP B 1 70  ? -12.61674 -10.93523 13.26187  1.000 26.42422 ? 70  TRP B O     1 
ATOM   1442 C  CB    . TRP B 1 70  ? -13.21510 -13.58858 14.30459  1.000 19.01747 ? 70  TRP B CB    1 
ATOM   1443 C  CG    . TRP B 1 70  ? -13.76364 -14.75327 15.05701  1.000 22.79277 ? 70  TRP B CG    1 
ATOM   1444 C  CD1   . TRP B 1 70  ? -15.03772 -14.90590 15.52328  1.000 19.66642 ? 70  TRP B CD1   1 
ATOM   1445 C  CD2   . TRP B 1 70  ? -13.05200 -15.93460 15.43519  1.000 25.39319 ? 70  TRP B CD2   1 
ATOM   1446 N  NE1   . TRP B 1 70  ? -15.16155 -16.11164 16.17245  1.000 25.25134 ? 70  TRP B NE1   1 
ATOM   1447 C  CE2   . TRP B 1 70  ? -13.95538 -16.76032 16.13648  1.000 22.06061 ? 70  TRP B CE2   1 
ATOM   1448 C  CE3   . TRP B 1 70  ? -11.73608 -16.37261 15.25505  1.000 21.23442 ? 70  TRP B CE3   1 
ATOM   1449 C  CZ2   . TRP B 1 70  ? -13.58633 -17.99860 16.65483  1.000 27.26280 ? 70  TRP B CZ2   1 
ATOM   1450 C  CZ3   . TRP B 1 70  ? -11.37126 -17.60640 15.76908  1.000 21.04945 ? 70  TRP B CZ3   1 
ATOM   1451 C  CH2   . TRP B 1 70  ? -12.29526 -18.40549 16.46070  1.000 23.89818 ? 70  TRP B CH2   1 
ATOM   1452 N  N     . ILE B 1 71  ? -11.22765 -10.71619 15.02407  1.000 21.97141 ? 71  ILE B N     1 
ATOM   1453 C  CA    . ILE B 1 71  ? -10.40731 -9.67370  14.42057  1.000 22.99290 ? 71  ILE B CA    1 
ATOM   1454 C  C     . ILE B 1 71  ? -9.12971  -10.33612 13.93122  1.000 24.26865 ? 71  ILE B C     1 
ATOM   1455 O  O     . ILE B 1 71  ? -8.29474  -10.74808 14.74035  1.000 21.32484 ? 71  ILE B O     1 
ATOM   1456 C  CB    . ILE B 1 71  ? -10.09683 -8.54797  15.41298  1.000 20.64500 ? 71  ILE B CB    1 
ATOM   1457 C  CG1   . ILE B 1 71  ? -11.37614 -7.82568  15.82373  1.000 25.26895 ? 71  ILE B CG1   1 
ATOM   1458 C  CG2   . ILE B 1 71  ? -9.11052  -7.55757  14.81137  1.000 20.30540 ? 71  ILE B CG2   1 
ATOM   1459 C  CD1   . ILE B 1 71  ? -11.18079 -6.93276  17.02118  1.000 26.01010 ? 71  ILE B CD1   1 
ATOM   1460 N  N     . TYR B 1 72  ? -8.97435  -10.44082 12.61284  1.000 20.95305 ? 72  TYR B N     1 
ATOM   1461 C  CA    . TYR B 1 72  ? -7.80213  -11.09715 12.04599  1.000 23.50245 ? 72  TYR B CA    1 
ATOM   1462 C  C     . TYR B 1 72  ? -6.53680  -10.31824 12.37571  1.000 22.52691 ? 72  TYR B C     1 
ATOM   1463 O  O     . TYR B 1 72  ? -6.47273  -9.10089  12.18524  1.000 24.26164 ? 72  TYR B O     1 
ATOM   1464 C  CB    . TYR B 1 72  ? -7.95920  -11.22953 10.53117  1.000 20.16663 ? 72  TYR B CB    1 
ATOM   1465 C  CG    . TYR B 1 72  ? -6.84493  -11.99794 9.85146   1.000 25.79817 ? 72  TYR B CG    1 
ATOM   1466 C  CD1   . TYR B 1 72  ? -6.83614  -13.39233 9.82882   1.000 23.27707 ? 72  TYR B CD1   1 
ATOM   1467 C  CD2   . TYR B 1 72  ? -5.79710  -11.32559 9.23128   1.000 26.76868 ? 72  TYR B CD2   1 
ATOM   1468 C  CE1   . TYR B 1 72  ? -5.80694  -14.09514 9.19019   1.000 21.45076 ? 72  TYR B CE1   1 
ATOM   1469 C  CE2   . TYR B 1 72  ? -4.79008  -12.01210 8.57920   1.000 25.86455 ? 72  TYR B CE2   1 
ATOM   1470 C  CZ    . TYR B 1 72  ? -4.78874  -13.39610 8.57178   1.000 22.77242 ? 72  TYR B CZ    1 
ATOM   1471 O  OH    . TYR B 1 72  ? -3.75443  -14.06330 7.93129   1.000 24.70375 ? 72  TYR B OH    1 
ATOM   1472 N  N     . LEU B 1 73  ? -5.52353  -11.02617 12.86783  1.000 19.74500 ? 73  LEU B N     1 
ATOM   1473 C  CA    . LEU B 1 73  ? -4.23590  -10.40947 13.15367  1.000 21.00831 ? 73  LEU B CA    1 
ATOM   1474 C  C     . LEU B 1 73  ? -3.16319  -10.75598 12.13131  1.000 22.65795 ? 73  LEU B C     1 
ATOM   1475 O  O     . LEU B 1 73  ? -2.39002  -9.87974  11.73870  1.000 25.53610 ? 73  LEU B O     1 
ATOM   1476 C  CB    . LEU B 1 73  ? -3.76017  -10.80962 14.55069  1.000 21.29939 ? 73  LEU B CB    1 
ATOM   1477 C  CG    . LEU B 1 73  ? -4.74574  -10.48232 15.67481  1.000 19.22379 ? 73  LEU B CG    1 
ATOM   1478 C  CD1   . LEU B 1 73  ? -4.11458  -10.75597 17.02375  1.000 23.33253 ? 73  LEU B CD1   1 
ATOM   1479 C  CD2   . LEU B 1 73  ? -5.18526  -9.02996  15.59135  1.000 23.29020 ? 73  LEU B CD2   1 
ATOM   1480 N  N     . GLY B 1 74  ? -3.09261  -11.99620 11.68913  1.000 22.35529 ? 74  GLY B N     1 
ATOM   1481 C  CA    . GLY B 1 74  ? -2.12356  -12.37157 10.68656  1.000 26.28720 ? 74  GLY B CA    1 
ATOM   1482 C  C     . GLY B 1 74  ? -1.52182  -13.72303 10.98341  1.000 24.92881 ? 74  GLY B C     1 
ATOM   1483 O  O     . GLY B 1 74  ? -2.02582  -14.48643 11.80352  1.000 21.22723 ? 74  GLY B O     1 
ATOM   1484 N  N     . LYS B 1 75  ? -0.42507  -14.01580 10.28301  1.000 23.46984 ? 75  LYS B N     1 
ATOM   1485 C  CA    . LYS B 1 75  ? 0.31568   -15.25961 10.44447  1.000 31.03678 ? 75  LYS B CA    1 
ATOM   1486 C  C     . LYS B 1 75  ? 1.49971   -15.14313 11.39035  1.000 29.50941 ? 75  LYS B C     1 
ATOM   1487 O  O     . LYS B 1 75  ? 2.03941   -16.17246 11.80774  1.000 35.91854 ? 75  LYS B O     1 
ATOM   1488 C  CB    . LYS B 1 75  ? 0.81916   -15.75911 9.08379   1.000 27.55044 ? 75  LYS B CB    1 
ATOM   1489 C  CG    . LYS B 1 75  ? -0.27995  -15.93855 8.05375   1.000 33.18079 ? 75  LYS B CG    1 
ATOM   1490 C  CD    . LYS B 1 75  ? 0.28183   -16.38698 6.71117   1.000 30.46108 ? 75  LYS B CD    1 
ATOM   1491 C  CE    . LYS B 1 75  ? 1.08315   -15.27936 6.06072   1.000 46.00564 ? 75  LYS B CE    1 
ATOM   1492 N  NZ    . LYS B 1 75  ? 0.34163   -13.98215 6.08532   1.000 49.86099 ? 75  LYS B NZ    1 
ATOM   1493 N  N     . THR B 1 76  ? 1.92001   -13.93665 11.73473  1.000 28.41375 ? 76  THR B N     1 
ATOM   1494 C  CA    . THR B 1 76  ? 3.04427   -13.75919 12.63837  1.000 36.72588 ? 76  THR B CA    1 
ATOM   1495 C  C     . THR B 1 76  ? 2.52677   -13.59878 14.05849  1.000 29.27859 ? 76  THR B C     1 
ATOM   1496 O  O     . THR B 1 76  ? 1.37809   -13.20817 14.27023  1.000 27.92229 ? 76  THR B O     1 
ATOM   1497 C  CB    . THR B 1 76  ? 3.89479   -12.54896 12.25439  1.000 36.39201 ? 76  THR B CB    1 
ATOM   1498 O  OG1   . THR B 1 76  ? 4.86779   -12.32939 13.28000  1.000 51.77937 ? 76  THR B OG1   1 
ATOM   1499 C  CG2   . THR B 1 76  ? 3.04521   -11.30496 12.13881  1.000 40.34989 ? 76  THR B CG2   1 
ATOM   1500 N  N     . LYS B 1 77  ? 3.36650   -13.92500 15.03392  1.000 29.68038 ? 77  LYS B N     1 
ATOM   1501 C  CA    . LYS B 1 77  ? 2.95584   -13.71702 16.41531  1.000 33.84224 ? 77  LYS B CA    1 
ATOM   1502 C  C     . LYS B 1 77  ? 2.81854   -12.21807 16.68546  1.000 26.60259 ? 77  LYS B C     1 
ATOM   1503 O  O     . LYS B 1 77  ? 3.70287   -11.43921 16.30376  1.000 28.67032 ? 77  LYS B O     1 
ATOM   1504 C  CB    . LYS B 1 77  ? 3.93292   -14.36534 17.39989  1.000 34.57637 ? 77  LYS B CB    1 
ATOM   1505 C  CG    . LYS B 1 77  ? 5.38556   -13.99962 17.24219  1.000 48.55434 ? 77  LYS B CG    1 
ATOM   1506 C  CD    . LYS B 1 77  ? 6.09544   -14.15274 18.58090  1.000 44.59826 ? 77  LYS B CD    1 
ATOM   1507 C  CE    . LYS B 1 77  ? 7.40663   -13.39568 18.62401  1.000 47.16569 ? 77  LYS B CE    1 
ATOM   1508 N  NZ    . LYS B 1 77  ? 8.22246   -13.78814 19.81116  1.000 55.36310 ? 77  LYS B NZ    1 
ATOM   1509 N  N     . PRO B 1 78  ? 1.70044   -11.76824 17.26265  1.000 24.26978 ? 78  PRO B N     1 
ATOM   1510 C  CA    . PRO B 1 78  ? 1.35199   -10.34029 17.17013  1.000 24.43396 ? 78  PRO B CA    1 
ATOM   1511 C  C     . PRO B 1 78  ? 2.04638   -9.47467  18.19862  1.000 29.10839 ? 78  PRO B C     1 
ATOM   1512 O  O     . PRO B 1 78  ? 2.11557   -8.25160  18.00984  1.000 28.29444 ? 78  PRO B O     1 
ATOM   1513 C  CB    . PRO B 1 78  ? -0.16929  -10.33264 17.39211  1.000 21.80943 ? 78  PRO B CB    1 
ATOM   1514 C  CG    . PRO B 1 78  ? -0.43574  -11.57021 18.17900  1.000 23.46288 ? 78  PRO B CG    1 
ATOM   1515 C  CD    . PRO B 1 78  ? 0.56603   -12.58755 17.71600  1.000 25.29250 ? 78  PRO B CD    1 
ATOM   1516 N  N     . ILE B 1 79  ? 2.55238   -10.06250 19.27538  1.000 28.16142 ? 79  ILE B N     1 
ATOM   1517 C  CA    . ILE B 1 79  ? 3.34212   -9.35793  20.27405  1.000 31.35074 ? 79  ILE B CA    1 
ATOM   1518 C  C     . ILE B 1 79  ? 4.75618   -9.90975  20.21535  1.000 38.11565 ? 79  ILE B C     1 
ATOM   1519 O  O     . ILE B 1 79  ? 4.95315   -11.12236 20.08325  1.000 40.87822 ? 79  ILE B O     1 
ATOM   1520 C  CB    . ILE B 1 79  ? 2.72881   -9.50838  21.68115  1.000 33.55683 ? 79  ILE B CB    1 
ATOM   1521 C  CG1   . ILE B 1 79  ? 1.27549   -9.01253  21.66323  1.000 36.34453 ? 79  ILE B CG1   1 
ATOM   1522 C  CG2   . ILE B 1 79  ? 3.58001   -8.79182  22.73338  1.000 35.40315 ? 79  ILE B CG2   1 
ATOM   1523 C  CD1   . ILE B 1 79  ? 0.74754   -8.49150  22.99216  1.000 46.89993 ? 79  ILE B CD1   1 
ATOM   1524 N  N     . GLN B 1 80  ? 5.74000   -9.01258  20.25654  1.000 37.65314 ? 80  GLN B N     1 
ATOM   1525 C  CA    . GLN B 1 80  ? 7.10468   -9.40684  19.93594  1.000 42.43332 ? 80  GLN B CA    1 
ATOM   1526 C  C     . GLN B 1 80  ? 7.71116   -10.28312 21.02488  1.000 49.25581 ? 80  GLN B C     1 
ATOM   1527 O  O     . GLN B 1 80  ? 8.59766   -11.09774 20.74412  1.000 57.37280 ? 80  GLN B O     1 
ATOM   1528 C  CB    . GLN B 1 80  ? 7.95440   -8.16069  19.70221  1.000 50.60700 ? 80  GLN B CB    1 
ATOM   1529 C  CG    . GLN B 1 80  ? 8.35508   -8.01944  18.26720  1.000 50.26192 ? 80  GLN B CG    1 
ATOM   1530 C  CD    . GLN B 1 80  ? 9.03430   -9.26603  17.78334  1.000 54.59410 ? 80  GLN B CD    1 
ATOM   1531 O  OE1   . GLN B 1 80  ? 10.11976  -9.59259  18.24483  1.000 56.66103 ? 80  GLN B OE1   1 
ATOM   1532 N  NE2   . GLN B 1 80  ? 8.39125   -9.98849  16.86920  1.000 57.07087 ? 80  GLN B NE2   1 
ATOM   1533 N  N     . ASN B 1 81  ? 7.24560   -10.13619 22.26099  1.000 46.46568 ? 81  ASN B N     1 
ATOM   1534 C  CA    . ASN B 1 81  ? 7.88409   -10.75350 23.41162  1.000 49.32783 ? 81  ASN B CA    1 
ATOM   1535 C  C     . ASN B 1 81  ? 7.27547   -12.09517 23.80468  1.000 49.25607 ? 81  ASN B C     1 
ATOM   1536 O  O     . ASN B 1 81  ? 7.84465   -12.77132 24.66785  1.000 57.25487 ? 81  ASN B O     1 
ATOM   1537 C  CB    . ASN B 1 81  ? 7.83258   -9.79108  24.60114  1.000 49.02147 ? 81  ASN B CB    1 
ATOM   1538 C  CG    . ASN B 1 81  ? 8.14734   -8.36243  24.19965  1.000 57.67643 ? 81  ASN B CG    1 
ATOM   1539 O  OD1   . ASN B 1 81  ? 7.26520   -7.61820  23.76870  1.000 55.03640 ? 81  ASN B OD1   1 
ATOM   1540 N  ND2   . ASN B 1 81  ? 9.40927   -7.96919  24.34472  1.000 55.19063 ? 81  ASN B ND2   1 
ATOM   1541 N  N     . MET B 1 82  ? 6.15122   -12.50458 23.20088  1.000 51.39956 ? 82  MET B N     1 
ATOM   1542 C  CA    . MET B 1 82  ? 5.42903   -13.67208 23.69596  1.000 48.05919 ? 82  MET B CA    1 
ATOM   1543 C  C     . MET B 1 82  ? 6.21505   -14.94641 23.38861  1.000 39.74785 ? 82  MET B C     1 
ATOM   1544 O  O     . MET B 1 82  ? 7.12707   -14.93409 22.55731  1.000 45.95331 ? 82  MET B O     1 
ATOM   1545 C  CB    . MET B 1 82  ? 4.02928   -13.78841 23.08508  1.000 39.87191 ? 82  MET B CB    1 
ATOM   1546 C  CG    . MET B 1 82  ? 3.93644   -13.69860 21.58382  1.000 43.96154 ? 82  MET B CG    1 
ATOM   1547 S  SD    . MET B 1 82  ? 2.29600   -13.16567 21.03832  1.000 42.93532 ? 82  MET B SD    1 
ATOM   1548 C  CE    . MET B 1 82  ? 1.25828   -14.06217 22.18568  1.000 37.43069 ? 82  MET B CE    1 
ATOM   1549 N  N     . PRO B 1 83  ? 5.90177   -16.04930 24.07737  1.000 44.26427 ? 83  PRO B N     1 
ATOM   1550 C  CA    . PRO B 1 83  ? 6.44840   -17.35251 23.67388  1.000 50.80432 ? 83  PRO B CA    1 
ATOM   1551 C  C     . PRO B 1 83  ? 6.12978   -17.68591 22.22365  1.000 44.27123 ? 83  PRO B C     1 
ATOM   1552 O  O     . PRO B 1 83  ? 5.05788   -17.36087 21.70967  1.000 40.86549 ? 83  PRO B O     1 
ATOM   1553 C  CB    . PRO B 1 83  ? 5.76423   -18.33613 24.62925  1.000 52.22577 ? 83  PRO B CB    1 
ATOM   1554 C  CG    . PRO B 1 83  ? 5.39905   -17.53755 25.82252  1.000 46.12995 ? 83  PRO B CG    1 
ATOM   1555 C  CD    . PRO B 1 83  ? 5.31559   -16.09066 25.43183  1.000 48.55617 ? 83  PRO B CD    1 
ATOM   1556 N  N     . ASN B 1 84  ? 7.09321   -18.31545 21.56014  1.000 42.40350 ? 84  ASN B N     1 
ATOM   1557 C  CA    . ASN B 1 84  ? 6.97073   -18.55886 20.13297  1.000 39.47414 ? 84  ASN B CA    1 
ATOM   1558 C  C     . ASN B 1 84  ? 6.00972   -19.72058 19.88315  1.000 41.77408 ? 84  ASN B C     1 
ATOM   1559 O  O     . ASN B 1 84  ? 6.00785   -20.69571 20.63932  1.000 39.29332 ? 84  ASN B O     1 
ATOM   1560 C  CB    . ASN B 1 84  ? 8.34047   -18.85742 19.52387  1.000 46.54216 ? 84  ASN B CB    1 
ATOM   1561 C  CG    . ASN B 1 84  ? 9.12116   -17.59415 19.21613  1.000 50.25247 ? 84  ASN B CG    1 
ATOM   1562 O  OD1   . ASN B 1 84  ? 8.54030   -16.54698 18.92227  1.000 54.16801 ? 84  ASN B OD1   1 
ATOM   1563 N  ND2   . ASN B 1 84  ? 10.44165  -17.68312 19.28666  1.000 49.51302 ? 84  ASN B ND2   1 
ATOM   1564 N  N     . PRO B 1 85  ? 5.17593   -19.62937 18.85022  1.000 39.39375 ? 85  PRO B N     1 
ATOM   1565 C  CA    . PRO B 1 85  ? 4.16769   -20.66833 18.60303  1.000 33.34815 ? 85  PRO B CA    1 
ATOM   1566 C  C     . PRO B 1 85  ? 4.81496   -21.96498 18.15283  1.000 40.43413 ? 85  PRO B C     1 
ATOM   1567 O  O     . PRO B 1 85  ? 5.95458   -21.95622 17.66073  1.000 40.74500 ? 85  PRO B O     1 
ATOM   1568 C  CB    . PRO B 1 85  ? 3.28504   -20.05895 17.49976  1.000 36.79318 ? 85  PRO B CB    1 
ATOM   1569 C  CG    . PRO B 1 85  ? 3.99083   -18.86225 16.99249  1.000 35.84308 ? 85  PRO B CG    1 
ATOM   1570 C  CD    . PRO B 1 85  ? 5.18232   -18.57337 17.82195  1.000 38.04368 ? 85  PRO B CD    1 
ATOM   1571 N  N     . PRO B 1 86  ? 4.14235   -23.10258 18.33742  1.000 40.78039 ? 86  PRO B N     1 
ATOM   1572 C  CA    . PRO B 1 86  ? 4.76934   -24.38851 18.02002  1.000 43.69131 ? 86  PRO B CA    1 
ATOM   1573 C  C     . PRO B 1 86  ? 4.96843   -24.55892 16.52336  1.000 46.65964 ? 86  PRO B C     1 
ATOM   1574 O  O     . PRO B 1 86  ? 4.33018   -23.90256 15.69908  1.000 44.83656 ? 86  PRO B O     1 
ATOM   1575 C  CB    . PRO B 1 86  ? 3.77581   -25.42011 18.56471  1.000 40.35463 ? 86  PRO B CB    1 
ATOM   1576 C  CG    . PRO B 1 86  ? 2.48231   -24.72128 18.59733  1.000 38.39995 ? 86  PRO B CG    1 
ATOM   1577 C  CD    . PRO B 1 86  ? 2.77833   -23.27820 18.86958  1.000 42.18480 ? 86  PRO B CD    1 
ATOM   1578 N  N     . GLN B 1 87  ? 5.90111   -25.43962 16.18228  1.000 49.03415 ? 87  GLN B N     1 
ATOM   1579 C  CA    . GLN B 1 87  ? 6.22695   -25.71932 14.78814  1.000 54.44317 ? 87  GLN B CA    1 
ATOM   1580 C  C     . GLN B 1 87  ? 5.17343   -26.68012 14.24873  1.000 47.21067 ? 87  GLN B C     1 
ATOM   1581 O  O     . GLN B 1 87  ? 5.19619   -27.87546 14.54961  1.000 49.72200 ? 87  GLN B O     1 
ATOM   1582 C  CB    . GLN B 1 87  ? 7.63052   -26.30457 14.68185  1.000 52.61449 ? 87  GLN B CB    1 
ATOM   1583 C  CG    . GLN B 1 87  ? 8.75385   -25.29678 14.94576  1.000 66.03388 ? 87  GLN B CG    1 
ATOM   1584 C  CD    . GLN B 1 87  ? 9.47221   -24.85414 13.68207  1.000 67.21366 ? 87  GLN B CD    1 
ATOM   1585 O  OE1   . GLN B 1 87  ? 8.84231   -24.44585 12.70584  1.000 71.16991 ? 87  GLN B OE1   1 
ATOM   1586 N  NE2   . GLN B 1 87  ? 10.79905  -24.94571 13.69151  1.000 60.99617 ? 87  GLN B NE2   1 
ATOM   1587 N  N     . ILE B 1 88  ? 4.23216   -26.15992 13.46529  1.000 43.74876 ? 88  ILE B N     1 
ATOM   1588 C  CA    . ILE B 1 88  ? 3.34589   -27.00114 12.65999  1.000 46.77646 ? 88  ILE B CA    1 
ATOM   1589 C  C     . ILE B 1 88  ? 3.81670   -26.92915 11.21298  1.000 46.69700 ? 88  ILE B C     1 
ATOM   1590 O  O     . ILE B 1 88  ? 4.20757   -25.84931 10.74648  1.000 51.51389 ? 88  ILE B O     1 
ATOM   1591 C  CB    . ILE B 1 88  ? 1.85574   -26.60701 12.78050  1.000 48.30249 ? 88  ILE B CB    1 
ATOM   1592 C  CG1   . ILE B 1 88  ? 1.33743   -26.57769 14.22974  1.000 44.47254 ? 88  ILE B CG1   1 
ATOM   1593 C  CG2   . ILE B 1 88  ? 0.96460   -27.53971 11.96640  1.000 53.12464 ? 88  ILE B CG2   1 
ATOM   1594 C  CD1   . ILE B 1 88  ? 1.54245   -25.30027 15.00073  1.000 52.37731 ? 88  ILE B CD1   1 
ATOM   1595 N  N     . PRO B 1 89  ? 3.82259   -28.05112 10.48950  1.000 50.52259 ? 89  PRO B N     1 
ATOM   1596 C  CA    . PRO B 1 89  ? 4.03951   -28.00922 9.03928   1.000 54.24629 ? 89  PRO B CA    1 
ATOM   1597 C  C     . PRO B 1 89  ? 3.04566   -27.10135 8.32901   1.000 58.49991 ? 89  PRO B C     1 
ATOM   1598 O  O     . PRO B 1 89  ? 1.88061   -26.98482 8.71648   1.000 60.83737 ? 89  PRO B O     1 
ATOM   1599 C  CB    . PRO B 1 89  ? 3.83662   -29.46542 8.61420   1.000 59.74013 ? 89  PRO B CB    1 
ATOM   1600 C  CG    . PRO B 1 89  ? 4.14283   -30.28325 9.84255   1.000 67.29624 ? 89  PRO B CG    1 
ATOM   1601 C  CD    . PRO B 1 89  ? 4.15287   -29.37039 11.05010  1.000 57.41258 ? 89  PRO B CD    1 
ATOM   1602 N  N     . GLU B 1 90  ? 3.53309   -26.44313 7.27965   1.000 64.86559 ? 90  GLU B N     1 
ATOM   1603 C  CA    . GLU B 1 90  ? 2.73904   -25.51881 6.48418   1.000 61.75298 ? 90  GLU B CA    1 
ATOM   1604 C  C     . GLU B 1 90  ? 2.20454   -26.16022 5.21204   1.000 58.15304 ? 90  GLU B C     1 
ATOM   1605 O  O     . GLU B 1 90  ? 1.69736   -25.44963 4.33719   1.000 60.66194 ? 90  GLU B O     1 
ATOM   1606 C  CB    . GLU B 1 90  ? 3.56887   -24.28238 6.13911   1.000 50.66050 ? 90  GLU B CB    1 
ATOM   1607 C  CG    . GLU B 1 90  ? 3.91376   -23.42914 7.34333   1.000 62.16630 ? 90  GLU B CG    1 
ATOM   1608 C  CD    . GLU B 1 90  ? 4.79985   -22.25402 6.99159   1.000 67.75285 ? 90  GLU B CD    1 
ATOM   1609 O  OE1   . GLU B 1 90  ? 5.30469   -22.20636 5.84829   1.000 75.63637 ? 90  GLU B OE1   1 
ATOM   1610 O  OE2   . GLU B 1 90  ? 5.00026   -21.38338 7.86434   1.000 75.59463 ? 90  GLU B OE2   1 
ATOM   1611 N  N     . SER B 1 91  ? 2.31824   -27.48038 5.08744   1.000 51.54141 ? 91  SER B N     1 
ATOM   1612 C  CA    . SER B 1 91  ? 1.96014   -28.16451 3.85632   1.000 51.96978 ? 91  SER B CA    1 
ATOM   1613 C  C     . SER B 1 91  ? 0.44521   -28.18971 3.67696   1.000 47.11747 ? 91  SER B C     1 
ATOM   1614 O  O     . SER B 1 91  ? -0.32555  -28.04001 4.62947   1.000 46.84944 ? 91  SER B O     1 
ATOM   1615 C  CB    . SER B 1 91  ? 2.51148   -29.59077 3.85500   1.000 55.64008 ? 91  SER B CB    1 
ATOM   1616 O  OG    . SER B 1 91  ? 1.50792   -30.52955 4.20423   1.000 60.47218 ? 91  SER B OG    1 
ATOM   1617 N  N     . THR B 1 92  ? 0.02830   -28.37246 2.42749   1.000 47.96390 ? 92  THR B N     1 
ATOM   1618 C  CA    . THR B 1 92  ? -1.38388  -28.32311 2.07743   1.000 41.79787 ? 92  THR B CA    1 
ATOM   1619 C  C     . THR B 1 92  ? -2.12680  -29.50665 2.68840   1.000 40.45417 ? 92  THR B C     1 
ATOM   1620 O  O     . THR B 1 92  ? -1.65160  -30.64463 2.65492   1.000 41.51646 ? 92  THR B O     1 
ATOM   1621 C  CB    . THR B 1 92  ? -1.54070  -28.32367 0.55498   1.000 44.64835 ? 92  THR B CB    1 
ATOM   1622 O  OG1   . THR B 1 92  ? -0.75253  -27.26640 -0.00304  1.000 47.17239 ? 92  THR B OG1   1 
ATOM   1623 C  CG2   . THR B 1 92  ? -2.99036  -28.11630 0.15347   1.000 41.34607 ? 92  THR B CG2   1 
ATOM   1624 N  N     . ILE B 1 93  ? -3.28758  -29.22797 3.27682   1.000 38.91243 ? 93  ILE B N     1 
ATOM   1625 C  CA    . ILE B 1 93  ? -4.19476  -30.25936 3.76991   1.000 38.32255 ? 93  ILE B CA    1 
ATOM   1626 C  C     . ILE B 1 93  ? -5.57376  -29.97539 3.19256   1.000 37.83421 ? 93  ILE B C     1 
ATOM   1627 O  O     . ILE B 1 93  ? -6.16362  -28.92546 3.47559   1.000 37.26962 ? 93  ILE B O     1 
ATOM   1628 C  CB    . ILE B 1 93  ? -4.24965  -30.29472 5.30803   1.000 37.47411 ? 93  ILE B CB    1 
ATOM   1629 C  CG1   . ILE B 1 93  ? -2.88226  -30.66826 5.88719   1.000 38.18516 ? 93  ILE B CG1   1 
ATOM   1630 C  CG2   . ILE B 1 93  ? -5.30766  -31.28339 5.77828   1.000 37.27959 ? 93  ILE B CG2   1 
ATOM   1631 C  CD1   . ILE B 1 93  ? -2.71831  -30.32185 7.34534   1.000 37.38632 ? 93  ILE B CD1   1 
ATOM   1632 N  N     . ILE B 1 94  ? -6.08313  -30.89820 2.38136   1.000 38.43219 ? 94  ILE B N     1 
ATOM   1633 C  CA    . ILE B 1 94  ? -7.38737  -30.75416 1.74577   1.000 38.30052 ? 94  ILE B CA    1 
ATOM   1634 C  C     . ILE B 1 94  ? -8.22177  -31.95842 2.14759   1.000 38.58244 ? 94  ILE B C     1 
ATOM   1635 O  O     . ILE B 1 94  ? -7.84192  -33.09788 1.86120   1.000 39.56880 ? 94  ILE B O     1 
ATOM   1636 C  CB    . ILE B 1 94  ? -7.27471  -30.66916 0.21623   1.000 40.42474 ? 94  ILE B CB    1 
ATOM   1637 C  CG1   . ILE B 1 94  ? -6.38086  -29.50786 -0.20430  1.000 39.39805 ? 94  ILE B CG1   1 
ATOM   1638 C  CG2   . ILE B 1 94  ? -8.65105  -30.47773 -0.40111  1.000 43.66980 ? 94  ILE B CG2   1 
ATOM   1639 C  CD1   . ILE B 1 94  ? -6.01678  -29.54298 -1.67528  1.000 44.96985 ? 94  ILE B CD1   1 
ATOM   1640 N  N     . LYS B 1 95  ? -9.36214  -31.71480 2.78242   1.000 40.96868 ? 95  LYS B N     1 
ATOM   1641 C  CA    . LYS B 1 95  ? -10.32740 -32.77567 3.03438   1.000 41.85201 ? 95  LYS B CA    1 
ATOM   1642 C  C     . LYS B 1 95  ? -11.33875 -32.81994 1.89830   1.000 42.45311 ? 95  LYS B C     1 
ATOM   1643 O  O     . LYS B 1 95  ? -11.89861 -31.78834 1.51608   1.000 41.64612 ? 95  LYS B O     1 
ATOM   1644 C  CB    . LYS B 1 95  ? -11.03512 -32.57020 4.37467   1.000 39.29117 ? 95  LYS B CB    1 
ATOM   1645 C  CG    . LYS B 1 95  ? -11.61927 -33.85276 4.95965   1.000 45.50137 ? 95  LYS B CG    1 
ATOM   1646 C  CD    . LYS B 1 95  ? -12.59174 -33.56970 6.09586   1.000 47.29344 ? 95  LYS B CD    1 
ATOM   1647 C  CE    . LYS B 1 95  ? -12.47497 -34.62946 7.18171   1.000 54.84957 ? 95  LYS B CE    1 
ATOM   1648 N  NZ    . LYS B 1 95  ? -13.79376 -35.07565 7.71168   1.000 60.21290 ? 95  LYS B NZ    1 
ATOM   1649 N  N     . GLU B 1 96  ? -11.55847 -34.01387 1.35249   1.000 44.60147 ? 96  GLU B N     1 
ATOM   1650 C  CA    . GLU B 1 96  ? -12.65742 -34.25396 0.42158   1.000 49.21805 ? 96  GLU B CA    1 
ATOM   1651 C  C     . GLU B 1 96  ? -13.19959 -35.64925 0.68546   1.000 56.45928 ? 96  GLU B C     1 
ATOM   1652 O  O     . GLU B 1 96  ? -12.49456 -36.63880 0.45760   1.000 48.92206 ? 96  GLU B O     1 
ATOM   1653 C  CB    . GLU B 1 96  ? -12.20306 -34.11052 -1.02940  1.000 56.22844 ? 96  GLU B CB    1 
ATOM   1654 C  CG    . GLU B 1 96  ? -13.34785 -34.00641 -2.01892  1.000 56.99584 ? 96  GLU B CG    1 
ATOM   1655 C  CD    . GLU B 1 96  ? -12.89068 -33.54421 -3.38632  1.000 63.76247 ? 96  GLU B CD    1 
ATOM   1656 O  OE1   . GLU B 1 96  ? -11.78479 -33.94188 -3.80946  1.000 69.64179 ? 96  GLU B OE1   1 
ATOM   1657 O  OE2   . GLU B 1 96  ? -13.63188 -32.77372 -4.03292  1.000 64.96646 ? 96  GLU B OE2   1 
ATOM   1658 N  N     . ASP B 1 97  ? -14.44192 -35.71161 1.17505   1.000 58.23159 ? 97  ASP B N     1 
ATOM   1659 C  CA    . ASP B 1 97  ? -15.22863 -36.94370 1.25677   1.000 55.32628 ? 97  ASP B CA    1 
ATOM   1660 C  C     . ASP B 1 97  ? -14.54368 -37.97432 2.15467   1.000 57.32030 ? 97  ASP B C     1 
ATOM   1661 O  O     . ASP B 1 97  ? -14.40107 -39.14649 1.79809   1.000 65.64682 ? 97  ASP B O     1 
ATOM   1662 C  CB    . ASP B 1 97  ? -15.51112 -37.51343 -0.13647  1.000 64.92908 ? 97  ASP B CB    1 
ATOM   1663 C  CG    . ASP B 1 97  ? -16.74150 -36.89882 -0.77635  1.000 62.79838 ? 97  ASP B CG    1 
ATOM   1664 O  OD1   . ASP B 1 97  ? -17.83953 -37.02373 -0.19446  1.000 72.50589 ? 97  ASP B OD1   1 
ATOM   1665 O  OD2   . ASP B 1 97  ? -16.61209 -36.29410 -1.86141  1.000 70.89424 ? 97  ASP B OD2   1 
ATOM   1666 N  N     . ASN B 1 98  ? -14.11540 -37.50575 3.33533   1.000 59.89203 ? 98  ASN B N     1 
ATOM   1667 C  CA    . ASN B 1 98  ? -13.48718 -38.32684 4.38045   1.000 60.07568 ? 98  ASN B CA    1 
ATOM   1668 C  C     . ASN B 1 98  ? -12.21778 -39.01850 3.88132   1.000 53.74268 ? 98  ASN B C     1 
ATOM   1669 O  O     . ASN B 1 98  ? -11.93573 -40.16465 4.23628   1.000 62.31982 ? 98  ASN B O     1 
ATOM   1670 C  CB    . ASN B 1 98  ? -14.47016 -39.35124 4.96056   1.000 65.67230 ? 98  ASN B CB    1 
ATOM   1671 C  CG    . ASN B 1 98  ? -15.90252 -38.84806 4.97267   1.000 69.06641 ? 98  ASN B CG    1 
ATOM   1672 O  OD1   . ASN B 1 98  ? -16.74420 -39.32025 4.20689   1.000 70.89080 ? 98  ASN B OD1   1 
ATOM   1673 N  ND2   . ASN B 1 98  ? -16.18199 -37.87652 5.83337   1.000 58.76536 ? 98  ASN B ND2   1 
ATOM   1674 N  N     . GLU B 1 99  ? -11.45008 -38.32267 3.03839   1.000 57.84231 ? 99  GLU B N     1 
ATOM   1675 C  CA    . GLU B 1 99  ? -10.00518 -38.49759 2.92870   1.000 45.66926 ? 99  GLU B CA    1 
ATOM   1676 C  C     . GLU B 1 99  ? -9.31299  -37.13641 2.90073   1.000 43.53200 ? 99  GLU B C     1 
ATOM   1677 O  O     . GLU B 1 99  ? -9.94072  -36.09680 2.68872   1.000 42.21153 ? 99  GLU B O     1 
ATOM   1678 C  CB    . GLU B 1 99  ? -9.61587  -39.31344 1.68074   1.000 47.60515 ? 99  GLU B CB    1 
ATOM   1679 C  CG    . GLU B 1 99  ? -10.61736 -40.38180 1.24379   1.000 55.88119 ? 99  GLU B CG    1 
ATOM   1680 C  CD    . GLU B 1 99  ? -10.23025 -41.07389 -0.04706  1.000 57.11729 ? 99  GLU B CD    1 
ATOM   1681 O  OE1   . GLU B 1 99  ? -9.64315  -42.17373 0.01791   1.000 59.64324 ? 99  GLU B OE1   1 
ATOM   1682 O  OE2   . GLU B 1 99  ? -10.55756 -40.54194 -1.12779  1.000 66.11464 ? 99  GLU B OE2   1 
ATOM   1683 N  N     . TYR B 1 100 ? -7.99699  -37.15515 3.11993   1.000 43.64802 ? 100 TYR B N     1 
ATOM   1684 C  CA    . TYR B 1 100 ? -7.16388  -35.95619 3.14017   1.000 42.18105 ? 100 TYR B CA    1 
ATOM   1685 C  C     . TYR B 1 100 ? -6.12413  -36.01443 2.02898   1.000 43.34827 ? 100 TYR B C     1 
ATOM   1686 O  O     . TYR B 1 100 ? -5.36848  -36.98520 1.94096   1.000 49.19336 ? 100 TYR B O     1 
ATOM   1687 C  CB    . TYR B 1 100 ? -6.45017  -35.79501 4.48346   1.000 41.60078 ? 100 TYR B CB    1 
ATOM   1688 C  CG    . TYR B 1 100 ? -7.33989  -35.53467 5.67280   1.000 42.67211 ? 100 TYR B CG    1 
ATOM   1689 C  CD1   . TYR B 1 100 ? -7.88685  -34.27499 5.89369   1.000 39.10002 ? 100 TYR B CD1   1 
ATOM   1690 C  CD2   . TYR B 1 100 ? -7.63996  -36.54795 6.57159   1.000 43.12066 ? 100 TYR B CD2   1 
ATOM   1691 C  CE1   . TYR B 1 100 ? -8.68767  -34.02777 6.99011   1.000 39.82904 ? 100 TYR B CE1   1 
ATOM   1692 C  CE2   . TYR B 1 100 ? -8.44645  -36.31424 7.66765   1.000 47.69098 ? 100 TYR B CE2   1 
ATOM   1693 C  CZ    . TYR B 1 100 ? -8.96958  -35.05497 7.87194   1.000 48.83481 ? 100 TYR B CZ    1 
ATOM   1694 O  OH    . TYR B 1 100 ? -9.77204  -34.83224 8.96624   1.000 44.57228 ? 100 TYR B OH    1 
ATOM   1695 N  N     . ILE B 1 101 ? -6.06185  -34.96356 1.21174   1.000 42.54758 ? 101 ILE B N     1 
ATOM   1696 C  CA    . ILE B 1 101 ? -4.89086  -34.69000 0.37780   1.000 43.67742 ? 101 ILE B CA    1 
ATOM   1697 C  C     . ILE B 1 101 ? -3.80448  -34.05472 1.23896   1.000 43.26326 ? 101 ILE B C     1 
ATOM   1698 O  O     . ILE B 1 101 ? -4.03649  -33.02263 1.87498   1.000 42.18097 ? 101 ILE B O     1 
ATOM   1699 C  CB    . ILE B 1 101 ? -5.24557  -33.76247 -0.79342  1.000 43.27182 ? 101 ILE B CB    1 
ATOM   1700 C  CG1   . ILE B 1 101 ? -6.47582  -34.25444 -1.56076  1.000 45.40427 ? 101 ILE B CG1   1 
ATOM   1701 C  CG2   . ILE B 1 101 ? -4.04364  -33.61569 -1.71419  1.000 47.13891 ? 101 ILE B CG2   1 
ATOM   1702 C  CD1   . ILE B 1 101 ? -6.18579  -35.29376 -2.60450  1.000 45.77307 ? 101 ILE B CD1   1 
ATOM   1703 N  N     . VAL B 1 102 ? -2.61380  -34.66751 1.26017   1.000 45.25727 ? 102 VAL B N     1 
ATOM   1704 C  CA    . VAL B 1 102 ? -1.51486  -34.27126 2.14218   1.000 45.82931 ? 102 VAL B CA    1 
ATOM   1705 C  C     . VAL B 1 102 ? -0.22327  -34.30134 1.32089   1.000 54.87386 ? 102 VAL B C     1 
ATOM   1706 O  O     . VAL B 1 102 ? -0.09871  -35.07276 0.36508   1.000 50.28559 ? 102 VAL B O     1 
ATOM   1707 C  CB    . VAL B 1 102 ? -1.42065  -35.20356 3.39406   1.000 59.97734 ? 102 VAL B CB    1 
ATOM   1708 C  CG1   . VAL B 1 102 ? -0.29909  -34.79664 4.35168   1.000 60.42924 ? 102 VAL B CG1   1 
ATOM   1709 C  CG2   . VAL B 1 102 ? -2.74741  -35.27946 4.15961   1.000 47.46640 ? 102 VAL B CG2   1 
ATOM   1710 N  N     . ASP B 1 103 ? 0.73658   -33.44012 1.67782   1.000 58.74741 ? 103 ASP B N     1 
ATOM   1711 C  CA    . ASP B 1 103 ? 2.08002   -33.46176 1.08298   1.000 66.36873 ? 103 ASP B CA    1 
ATOM   1712 C  C     . ASP B 1 103 ? 3.06367   -34.21830 1.98245   1.000 74.88987 ? 103 ASP B C     1 
ATOM   1713 O  O     . ASP B 1 103 ? 3.96937   -33.63563 2.58359   1.000 75.84899 ? 103 ASP B O     1 
ATOM   1714 C  CB    . ASP B 1 103 ? 2.56014   -32.03499 0.83121   1.000 65.27666 ? 103 ASP B CB    1 
ATOM   1715 C  CG    . ASP B 1 103 ? 2.28472   -31.56425 -0.57984  1.000 71.65891 ? 103 ASP B CG    1 
ATOM   1716 O  OD1   . ASP B 1 103 ? 1.31194   -30.80256 -0.76458  1.000 69.44961 ? 103 ASP B OD1   1 
ATOM   1717 O  OD2   . ASP B 1 103 ? 3.03890   -31.94347 -1.50075  1.000 76.19982 ? 103 ASP B OD2   1 
ATOM   1718 N  N     . GLU B 1 104 ? 2.86253   -35.54284 2.05894   1.000 75.91959 ? 104 GLU B N     1 
ATOM   1719 C  CA    . GLU B 1 104 ? 3.90964   -36.54122 2.35340   1.000 74.77398 ? 104 GLU B CA    1 
ATOM   1720 C  C     . GLU B 1 104 ? 4.59057   -36.27667 3.70340   1.000 82.17937 ? 104 GLU B C     1 
ATOM   1721 O  O     . GLU B 1 104 ? 5.81567   -36.16393 3.80448   1.000 80.40080 ? 104 GLU B O     1 
ATOM   1722 C  CB    . GLU B 1 104 ? 4.94183   -36.62213 1.21996   1.000 79.49424 ? 104 GLU B CB    1 
ATOM   1723 C  CG    . GLU B 1 104 ? 5.76045   -37.92919 1.21109   1.000 79.72309 ? 104 GLU B CG    1 
ATOM   1724 C  CD    . GLU B 1 104 ? 6.87109   -37.94375 0.17611   1.000 90.72512 ? 104 GLU B CD    1 
ATOM   1725 O  OE1   . GLU B 1 104 ? 7.10826   -36.89863 -0.46448  1.000 92.13083 ? 104 GLU B OE1   1 
ATOM   1726 O  OE2   . GLU B 1 104 ? 7.51566   -39.00268 0.01132   1.000 89.87752 ? 104 GLU B OE2   1 
ATOM   1727 N  N     . LYS B 1 105 ? 3.77519   -36.16126 4.74802   1.000 77.53373 ? 105 LYS B N     1 
ATOM   1728 C  CA    . LYS B 1 105 ? 4.26965   -35.88478 6.09479   1.000 77.93889 ? 105 LYS B CA    1 
ATOM   1729 C  C     . LYS B 1 105 ? 3.17092   -36.21631 7.10231   1.000 73.15987 ? 105 LYS B C     1 
ATOM   1730 O  O     . LYS B 1 105 ? 2.45973   -35.32696 7.57347   1.000 71.85078 ? 105 LYS B O     1 
ATOM   1731 C  CB    . LYS B 1 105 ? 4.71198   -34.41804 6.22516   1.000 78.08646 ? 105 LYS B CB    1 
ATOM   1732 C  CG    . LYS B 1 105 ? 5.85326   -34.15088 7.21615   1.000 79.25524 ? 105 LYS B CG    1 
ATOM   1733 C  CD    . LYS B 1 105 ? 5.39798   -34.17835 8.66875   1.000 78.33191 ? 105 LYS B CD    1 
ATOM   1734 C  CE    . LYS B 1 105 ? 6.37806   -33.46017 9.57978   1.000 75.54201 ? 105 LYS B CE    1 
ATOM   1735 N  NZ    . LYS B 1 105 ? 6.10011   -33.75309 11.01414  1.000 67.37540 ? 105 LYS B NZ    1 
ATOM   1736 O  "O5'" . DA  C 2 1   ? -5.84351  0.27439   28.94744  1.000 34.56604 ? 20  DA  D "O5'" 1 
ATOM   1737 C  "C5'" . DA  C 2 1   ? -7.23054  0.42807   29.24804  1.000 34.26201 ? 20  DA  D "C5'" 1 
ATOM   1738 C  "C4'" . DA  C 2 1   ? -7.59775  1.89746   29.40528  1.000 32.60611 ? 20  DA  D "C4'" 1 
ATOM   1739 O  "O4'" . DA  C 2 1   ? -6.87611  2.45780   30.52029  1.000 34.44707 ? 20  DA  D "O4'" 1 
ATOM   1740 C  "C3'" . DA  C 2 1   ? -7.25471  2.77098   28.21590  1.000 29.25656 ? 20  DA  D "C3'" 1 
ATOM   1741 O  "O3'" . DA  C 2 1   ? -8.36285  2.83820   27.35468  1.000 28.83265 ? 20  DA  D "O3'" 1 
ATOM   1742 C  "C2'" . DA  C 2 1   ? -6.96948  4.13539   28.83997  1.000 28.41319 ? 20  DA  D "C2'" 1 
ATOM   1743 C  "C1'" . DA  C 2 1   ? -6.50446  3.79270   30.24356  1.000 31.54601 ? 20  DA  D "C1'" 1 
ATOM   1744 N  N9    . DA  C 2 1   ? -5.06757  3.92500   30.44202  1.000 30.51283 ? 20  DA  D N9    1 
ATOM   1745 C  C8    . DA  C 2 1   ? -4.16859  2.91679   30.63372  1.000 31.74234 ? 20  DA  D C8    1 
ATOM   1746 N  N7    . DA  C 2 1   ? -2.93975  3.33215   30.82243  1.000 31.45485 ? 20  DA  D N7    1 
ATOM   1747 C  C5    . DA  C 2 1   ? -3.04203  4.70820   30.74348  1.000 31.48002 ? 20  DA  D C5    1 
ATOM   1748 C  C6    . DA  C 2 1   ? -2.08816  5.73375   30.85466  1.000 29.51163 ? 20  DA  D C6    1 
ATOM   1749 N  N6    . DA  C 2 1   ? -0.79374  5.50460   31.08967  1.000 30.45493 ? 20  DA  D N6    1 
ATOM   1750 N  N1    . DA  C 2 1   ? -2.51876  7.00614   30.72684  1.000 29.02460 ? 20  DA  D N1    1 
ATOM   1751 C  C2    . DA  C 2 1   ? -3.82231  7.22986   30.50609  1.000 31.20504 ? 20  DA  D C2    1 
ATOM   1752 N  N3    . DA  C 2 1   ? -4.81240  6.34642   30.37889  1.000 34.14272 ? 20  DA  D N3    1 
ATOM   1753 C  C4    . DA  C 2 1   ? -4.34831  5.09146   30.50966  1.000 29.56577 ? 20  DA  D C4    1 
HETATM 1754 N  N1    . BRU C 2 2   ? -4.33498  6.62852   26.29704  1.000 32.78477 ? 21  BRU D N1    1 
HETATM 1755 C  C2    . BRU C 2 2   ? -3.18081  7.31559   26.72605  1.000 30.47441 ? 21  BRU D C2    1 
HETATM 1756 N  N3    . BRU C 2 2   ? -2.11726  6.65897   27.20988  1.000 26.21448 ? 21  BRU D N3    1 
HETATM 1757 C  C4    . BRU C 2 2   ? -2.12433  5.32528   27.31228  1.000 26.47236 ? 21  BRU D C4    1 
HETATM 1758 C  C5    . BRU C 2 2   ? -3.32566  4.57826   26.87471  1.000 25.14132 ? 21  BRU D C5    1 
HETATM 1759 C  C6    . BRU C 2 2   ? -4.40931  5.29430   26.38338  1.000 29.91800 ? 21  BRU D C6    1 
HETATM 1760 O  O2    . BRU C 2 2   ? -3.15616  8.56184   26.64242  1.000 27.99687 ? 21  BRU D O2    1 
HETATM 1761 O  O4    . BRU C 2 2   ? -1.13721  4.71238   27.77402  1.000 24.84286 ? 21  BRU D O4    1 
HETATM 1762 BR BR    . BRU C 2 2   ? -3.37419  2.68610   26.99036  1.000 34.49850 ? 21  BRU D BR    1 
HETATM 1763 C  "C1'" . BRU C 2 2   ? -5.47194  7.40889   25.80027  1.000 32.46548 ? 21  BRU D "C1'" 1 
HETATM 1764 C  "C2'" . BRU C 2 2   ? -5.91603  7.05737   24.38921  1.000 28.07020 ? 21  BRU D "C2'" 1 
HETATM 1765 C  "C3'" . BRU C 2 2   ? -7.41239  7.31815   24.44241  1.000 23.95643 ? 21  BRU D "C3'" 1 
HETATM 1766 C  "C4'" . BRU C 2 2   ? -7.81444  7.08176   25.88541  1.000 33.40347 ? 21  BRU D "C4'" 1 
HETATM 1767 O  "O3'" . BRU C 2 2   ? -7.63453  8.71322   24.26433  1.000 28.69917 ? 21  BRU D "O3'" 1 
HETATM 1768 O  "O4'" . BRU C 2 2   ? -6.59712  7.13930   26.64100  1.000 29.94213 ? 21  BRU D "O4'" 1 
HETATM 1769 C  "C5'" . BRU C 2 2   ? -8.55683  5.76019   26.07921  1.000 24.80118 ? 21  BRU D "C5'" 1 
HETATM 1770 O  "O5'" . BRU C 2 2   ? -7.68298  4.68079   25.74158  1.000 30.97894 ? 21  BRU D "O5'" 1 
HETATM 1771 P  P     . BRU C 2 2   ? -8.14546  3.13568   25.79513  1.000 32.22990 ? 21  BRU D P     1 
HETATM 1772 O  OP1   . BRU C 2 2   ? -9.49384  2.98424   25.12667  1.000 30.41584 ? 21  BRU D OP1   1 
HETATM 1773 O  OP2   . BRU C 2 2   ? -6.96750  2.31682   25.31453  1.000 27.33767 ? 21  BRU D OP2   1 
ATOM   1774 P  P     . DT  C 2 3   ? -7.68438  9.36411   22.79945  1.000 25.21001 ? 22  DT  D P     1 
ATOM   1775 O  OP1   . DT  C 2 3   ? -8.61488  10.50870  22.90571  1.000 27.69853 ? 22  DT  D OP1   1 
ATOM   1776 O  OP2   . DT  C 2 3   ? -7.92881  8.31668   21.78861  1.000 24.81772 ? 22  DT  D OP2   1 
ATOM   1777 O  "O5'" . DT  C 2 3   ? -6.23253  9.94681   22.60890  1.000 23.58038 ? 22  DT  D "O5'" 1 
ATOM   1778 C  "C5'" . DT  C 2 3   ? -5.81317  11.02607  23.37231  1.000 25.65646 ? 22  DT  D "C5'" 1 
ATOM   1779 C  "C4'" . DT  C 2 3   ? -4.33866  11.24866  23.16267  1.000 23.43302 ? 22  DT  D "C4'" 1 
ATOM   1780 O  "O4'" . DT  C 2 3   ? -3.59446  10.19466  23.80351  1.000 20.41559 ? 22  DT  D "O4'" 1 
ATOM   1781 C  "C3'" . DT  C 2 3   ? -3.88852  11.24497  21.69346  1.000 21.11262 ? 22  DT  D "C3'" 1 
ATOM   1782 O  "O3'" . DT  C 2 3   ? -3.46563  12.56026  21.34985  1.000 18.93939 ? 22  DT  D "O3'" 1 
ATOM   1783 C  "C2'" . DT  C 2 3   ? -2.73937  10.21606  21.65136  1.000 19.97754 ? 22  DT  D "C2'" 1 
ATOM   1784 C  "C1'" . DT  C 2 3   ? -2.37898  10.06631  23.11841  1.000 27.09170 ? 22  DT  D "C1'" 1 
ATOM   1785 N  N1    . DT  C 2 3   ? -1.78501  8.75556   23.45688  1.000 22.27966 ? 22  DT  D N1    1 
ATOM   1786 C  C2    . DT  C 2 3   ? -0.54691  8.72209   24.03778  1.000 21.57654 ? 22  DT  D C2    1 
ATOM   1787 O  O2    . DT  C 2 3   ? 0.09810   9.72024   24.27943  1.000 26.94831 ? 22  DT  D O2    1 
ATOM   1788 N  N3    . DT  C 2 3   ? -0.08503  7.47156   24.33083  1.000 23.45372 ? 22  DT  D N3    1 
ATOM   1789 C  C4    . DT  C 2 3   ? -0.72794  6.27371   24.10281  1.000 22.72472 ? 22  DT  D C4    1 
ATOM   1790 O  O4    . DT  C 2 3   ? -0.22739  5.19800   24.39983  1.000 22.86234 ? 22  DT  D O4    1 
ATOM   1791 C  C5    . DT  C 2 3   ? -2.03249  6.37735   23.49553  1.000 24.26230 ? 22  DT  D C5    1 
ATOM   1792 C  C7    . DT  C 2 3   ? -2.82500  5.13839   23.19748  1.000 25.85126 ? 22  DT  D C7    1 
ATOM   1793 C  C6    . DT  C 2 3   ? -2.49499  7.60110   23.20540  1.000 21.17468 ? 22  DT  D C6    1 
ATOM   1794 P  P     . DA  C 2 4   ? -2.54333  12.87664  20.07625  1.000 22.78957 ? 23  DA  D P     1 
ATOM   1795 O  OP1   . DA  C 2 4   ? -2.85457  14.29862  19.79674  1.000 24.09361 ? 23  DA  D OP1   1 
ATOM   1796 O  OP2   . DA  C 2 4   ? -2.66148  11.86978  19.00001  1.000 19.12924 ? 23  DA  D OP2   1 
ATOM   1797 O  "O5'" . DA  C 2 4   ? -1.06637  12.82256  20.67316  1.000 23.80775 ? 23  DA  D "O5'" 1 
ATOM   1798 C  "C5'" . DA  C 2 4   ? -0.73408  13.66372  21.76198  1.000 25.79697 ? 23  DA  D "C5'" 1 
ATOM   1799 C  "C4'" . DA  C 2 4   ? 0.75244   13.62572  22.04836  1.000 28.03012 ? 23  DA  D "C4'" 1 
ATOM   1800 O  "O4'" . DA  C 2 4   ? 1.13319   12.29501  22.47167  1.000 22.45763 ? 23  DA  D "O4'" 1 
ATOM   1801 C  "C3'" . DA  C 2 4   ? 1.65149   13.97500  20.86930  1.000 23.55981 ? 23  DA  D "C3'" 1 
ATOM   1802 O  "O3'" . DA  C 2 4   ? 2.71032   14.78462  21.32599  1.000 26.78222 ? 23  DA  D "O3'" 1 
ATOM   1803 C  "C2'" . DA  C 2 4   ? 2.14527   12.60686  20.38320  1.000 20.60412 ? 23  DA  D "C2'" 1 
ATOM   1804 C  "C1'" . DA  C 2 4   ? 2.20030   11.82107  21.68585  1.000 20.80080 ? 23  DA  D "C1'" 1 
ATOM   1805 N  N9    . DA  C 2 4   ? 2.00391   10.38277  21.54044  1.000 19.41223 ? 23  DA  D N9    1 
ATOM   1806 C  C8    . DA  C 2 4   ? 0.90948   9.75170   21.02014  1.000 20.04838 ? 23  DA  D C8    1 
ATOM   1807 N  N7    . DA  C 2 4   ? 0.98379   8.44251   21.06066  1.000 21.38829 ? 23  DA  D N7    1 
ATOM   1808 C  C5    . DA  C 2 4   ? 2.20185   8.20017   21.67191  1.000 20.17163 ? 23  DA  D C5    1 
ATOM   1809 C  C6    . DA  C 2 4   ? 2.87130   7.01096   22.00770  1.000 19.64129 ? 23  DA  D C6    1 
ATOM   1810 N  N6    . DA  C 2 4   ? 2.37582   5.80256   21.76048  1.000 21.27171 ? 23  DA  D N6    1 
ATOM   1811 N  N1    . DA  C 2 4   ? 4.07625   7.11176   22.60698  1.000 20.95980 ? 23  DA  D N1    1 
ATOM   1812 C  C2    . DA  C 2 4   ? 4.58067   8.32939   22.84631  1.000 24.43456 ? 23  DA  D C2    1 
ATOM   1813 N  N3    . DA  C 2 4   ? 4.04117   9.52394   22.58244  1.000 22.37442 ? 23  DA  D N3    1 
ATOM   1814 C  C4    . DA  C 2 4   ? 2.84005   9.38465   21.98437  1.000 21.93131 ? 23  DA  D C4    1 
HETATM 1815 N  N1    . BRU C 2 5   ? 5.68147   9.75124   19.69700  1.000 23.78906 ? 24  BRU D N1    1 
HETATM 1816 C  C2    . BRU C 2 5   ? 5.93093   8.40223   20.00668  1.000 19.44854 ? 24  BRU D C2    1 
HETATM 1817 N  N3    . BRU C 2 5   ? 5.10904   7.42458   19.61523  1.000 24.66388 ? 24  BRU D N3    1 
HETATM 1818 C  C4    . BRU C 2 5   ? 4.03069   7.70746   18.88453  1.000 21.84881 ? 24  BRU D C4    1 
HETATM 1819 C  C5    . BRU C 2 5   ? 3.75824   9.12080   18.53778  1.000 17.51807 ? 24  BRU D C5    1 
HETATM 1820 C  C6    . BRU C 2 5   ? 4.62088   10.10627  18.97423  1.000 24.36028 ? 24  BRU D C6    1 
HETATM 1821 O  O2    . BRU C 2 5   ? 6.92223   8.12896   20.71321  1.000 22.73215 ? 24  BRU D O2    1 
HETATM 1822 O  O4    . BRU C 2 5   ? 3.26105   6.79970   18.50730  1.000 19.19227 ? 24  BRU D O4    1 
HETATM 1823 BR BR    . BRU C 2 5   ? 2.24874   9.57086   17.50871  1.000 25.59063 ? 24  BRU D BR    1 
HETATM 1824 C  "C1'" . BRU C 2 5   ? 6.60445   10.75528  20.21154  1.000 25.89189 ? 24  BRU D "C1'" 1 
HETATM 1825 C  "C2'" . BRU C 2 5   ? 7.25176   11.64539  19.16273  1.000 24.61709 ? 24  BRU D "C2'" 1 
HETATM 1826 C  "C3'" . BRU C 2 5   ? 7.36814   12.99554  19.85585  1.000 30.15511 ? 24  BRU D "C3'" 1 
HETATM 1827 C  "C4'" . BRU C 2 5   ? 6.57179   12.87082  21.14229  1.000 31.02062 ? 24  BRU D "C4'" 1 
HETATM 1828 O  "O3'" . BRU C 2 5   ? 8.70317   13.23435  20.28251  1.000 37.02442 ? 24  BRU D "O3'" 1 
HETATM 1829 O  "O4'" . BRU C 2 5   ? 5.86068   11.63529  21.05214  1.000 25.68292 ? 24  BRU D "O4'" 1 
HETATM 1830 C  "C5'" . BRU C 2 5   ? 5.65079   14.05885  21.40109  1.000 32.22830 ? 24  BRU D "C5'" 1 
HETATM 1831 O  "O5'" . BRU C 2 5   ? 4.94036   14.39172  20.21443  1.000 32.53779 ? 24  BRU D "O5'" 1 
HETATM 1832 P  P     . BRU C 2 5   ? 3.73443   15.44861  20.28475  1.000 31.19040 ? 24  BRU D P     1 
HETATM 1833 O  OP1   . BRU C 2 5   ? 4.23311   16.71234  20.92423  1.000 30.59878 ? 24  BRU D OP1   1 
HETATM 1834 O  OP2   . BRU C 2 5   ? 3.08544   15.49103  18.92352  1.000 33.36034 ? 24  BRU D OP2   1 
ATOM   1835 P  P     . DA  C 2 6   ? 9.85849   13.57693  19.22329  1.000 41.41698 ? 25  DA  D P     1 
ATOM   1836 O  OP1   . DA  C 2 6   ? 10.84577  14.39800  19.95094  1.000 42.59326 ? 25  DA  D OP1   1 
ATOM   1837 O  OP2   . DA  C 2 6   ? 9.23895   14.07206  17.96959  1.000 38.40114 ? 25  DA  D OP2   1 
ATOM   1838 O  "O5'" . DA  C 2 6   ? 10.53067  12.16145  18.92115  1.000 38.00269 ? 25  DA  D "O5'" 1 
ATOM   1839 C  "C5'" . DA  C 2 6   ? 10.90188  11.30628  19.99201  1.000 40.67583 ? 25  DA  D "C5'" 1 
ATOM   1840 C  "C4'" . DA  C 2 6   ? 11.36607  9.97092   19.45335  1.000 28.52481 ? 25  DA  D "C4'" 1 
ATOM   1841 O  "O4'" . DA  C 2 6   ? 10.23013  9.05317   19.39837  1.000 27.97918 ? 25  DA  D "O4'" 1 
ATOM   1842 C  "C3'" . DA  C 2 6   ? 11.91969  10.03132  18.02005  1.000 30.92260 ? 25  DA  D "C3'" 1 
ATOM   1843 O  "O3'" . DA  C 2 6   ? 13.14034  9.27634   17.90682  1.000 35.85184 ? 25  DA  D "O3'" 1 
ATOM   1844 C  "C2'" . DA  C 2 6   ? 10.79235  9.40623   17.20816  1.000 31.59915 ? 25  DA  D "C2'" 1 
ATOM   1845 C  "C1'" . DA  C 2 6   ? 10.29688  8.36615   18.17644  1.000 27.40813 ? 25  DA  D "C1'" 1 
ATOM   1846 N  N9    . DA  C 2 6   ? 8.99254   7.84556   17.79920  1.000 24.60046 ? 25  DA  D N9    1 
ATOM   1847 C  C8    . DA  C 2 6   ? 7.93312   8.55956   17.31187  1.000 22.85266 ? 25  DA  D C8    1 
ATOM   1848 N  N7    . DA  C 2 6   ? 6.89766   7.82292   17.00001  1.000 18.26948 ? 25  DA  D N7    1 
ATOM   1849 C  C5    . DA  C 2 6   ? 7.30748   6.53646   17.29388  1.000 20.84771 ? 25  DA  D C5    1 
ATOM   1850 C  C6    . DA  C 2 6   ? 6.66639   5.29054   17.17765  1.000 18.71420 ? 25  DA  D C6    1 
ATOM   1851 N  N6    . DA  C 2 6   ? 5.41546   5.14984   16.72820  1.000 19.59685 ? 25  DA  D N6    1 
ATOM   1852 N  N1    . DA  C 2 6   ? 7.36213   4.19082   17.54544  1.000 17.97414 ? 25  DA  D N1    1 
ATOM   1853 C  C2    . DA  C 2 6   ? 8.61839   4.34100   17.99169  1.000 19.43916 ? 25  DA  D C2    1 
ATOM   1854 N  N3    . DA  C 2 6   ? 9.32254   5.46041   18.14531  1.000 21.69706 ? 25  DA  D N3    1 
ATOM   1855 C  C4    . DA  C 2 6   ? 8.60412   6.53057   17.77149  1.000 24.69643 ? 25  DA  D C4    1 
ATOM   1856 P  P     . DC  C 2 7   ? 14.10046  9.44748   16.62053  1.000 31.81351 ? 26  DC  D P     1 
ATOM   1857 O  OP1   . DC  C 2 7   ? 15.24245  8.52645   16.78204  1.000 46.08305 ? 26  DC  D OP1   1 
ATOM   1858 O  OP2   . DC  C 2 7   ? 14.34860  10.89191  16.42500  1.000 41.43485 ? 26  DC  D OP2   1 
ATOM   1859 O  "O5'" . DC  C 2 7   ? 13.19020  8.98360   15.39458  1.000 36.01455 ? 26  DC  D "O5'" 1 
ATOM   1860 C  "C5'" . DC  C 2 7   ? 13.57908  7.96327   14.55574  1.000 32.21002 ? 26  DC  D "C5'" 1 
ATOM   1861 C  "C4'" . DC  C 2 7   ? 13.14754  6.59318   15.05845  1.000 28.76083 ? 26  DC  D "C4'" 1 
ATOM   1862 O  "O4'" . DC  C 2 7   ? 11.77794  6.56995   15.55099  1.000 26.88576 ? 26  DC  D "O4'" 1 
ATOM   1863 C  "C3'" . DC  C 2 7   ? 13.14404  5.56749   13.97273  1.000 21.95592 ? 26  DC  D "C3'" 1 
ATOM   1864 O  "O3'" . DC  C 2 7   ? 14.45357  5.19044   13.73026  1.000 27.39448 ? 26  DC  D "O3'" 1 
ATOM   1865 C  "C2'" . DC  C 2 7   ? 12.32660  4.44881   14.59470  1.000 26.57757 ? 26  DC  D "C2'" 1 
ATOM   1866 C  "C1'" . DC  C 2 7   ? 11.28820  5.23190   15.42961  1.000 22.98113 ? 26  DC  D "C1'" 1 
ATOM   1867 N  N1    . DC  C 2 7   ? 9.88763   5.26830   14.83786  1.000 18.22904 ? 26  DC  D N1    1 
ATOM   1868 C  C2    . DC  C 2 7   ? 9.14597   4.07606   14.65410  1.000 21.36214 ? 26  DC  D C2    1 
ATOM   1869 O  O2    . DC  C 2 7   ? 9.63987   2.98627   14.96114  1.000 20.77276 ? 26  DC  D O2    1 
ATOM   1870 N  N3    . DC  C 2 7   ? 7.88895   4.15616   14.14704  1.000 19.41711 ? 26  DC  D N3    1 
ATOM   1871 C  C4    . DC  C 2 7   ? 7.36715   5.33728   13.83084  1.000 19.92449 ? 26  DC  D C4    1 
ATOM   1872 N  N4    . DC  C 2 7   ? 6.12627   5.35897   13.32832  1.000 19.43641 ? 26  DC  D N4    1 
ATOM   1873 C  C5    . DC  C 2 7   ? 8.09109   6.55007   14.01349  1.000 18.78723 ? 26  DC  D C5    1 
ATOM   1874 C  C6    . DC  C 2 7   ? 9.33403   6.46978   14.51208  1.000 19.90127 ? 26  DC  D C6    1 
ATOM   1875 P  P     . DA  C 2 8   ? 14.98158  5.10696   12.22435  1.000 24.41997 ? 27  DA  D P     1 
ATOM   1876 O  OP1   . DA  C 2 8   ? 16.44902  5.27778   12.28153  1.000 26.37072 ? 27  DA  D OP1   1 
ATOM   1877 O  OP2   . DA  C 2 8   ? 14.16708  5.97914   11.35004  1.000 25.76311 ? 27  DA  D OP2   1 
ATOM   1878 O  "O5'" . DA  C 2 8   ? 14.65033  3.60791   11.84830  1.000 22.63403 ? 27  DA  D "O5'" 1 
ATOM   1879 C  "C5'" . DA  C 2 8   ? 14.94545  2.57982   12.77901  1.000 25.83251 ? 27  DA  D "C5'" 1 
ATOM   1880 C  "C4'" . DA  C 2 8   ? 14.47570  1.26514   12.22875  1.000 23.32794 ? 27  DA  D "C4'" 1 
ATOM   1881 O  "O4'" . DA  C 2 8   ? 13.04853  1.16821   12.44309  1.000 27.11678 ? 27  DA  D "O4'" 1 
ATOM   1882 C  "C3'" . DA  C 2 8   ? 14.72060  1.12518   10.73063  1.000 24.12454 ? 27  DA  D "C3'" 1 
ATOM   1883 O  "O3'" . DA  C 2 8   ? 15.35103  -0.09403  10.42802  1.000 36.72112 ? 27  DA  D "O3'" 1 
ATOM   1884 C  "C2'" . DA  C 2 8   ? 13.34806  1.21822   10.08957  1.000 23.86667 ? 27  DA  D "C2'" 1 
ATOM   1885 C  "C1'" . DA  C 2 8   ? 12.37375  0.94242   11.23202  1.000 25.27103 ? 27  DA  D "C1'" 1 
ATOM   1886 N  N9    . DA  C 2 8   ? 11.21265  1.82211   11.17845  1.000 21.38888 ? 27  DA  D N9    1 
ATOM   1887 C  C8    . DA  C 2 8   ? 11.19857  3.18362   11.31646  1.000 21.03767 ? 27  DA  D C8    1 
ATOM   1888 N  N7    . DA  C 2 8   ? 10.00566  3.71392   11.18089  1.000 18.21300 ? 27  DA  D N7    1 
ATOM   1889 C  C5    . DA  C 2 8   ? 9.18805   2.62580   10.93504  1.000 17.25692 ? 27  DA  D C5    1 
ATOM   1890 C  C6    . DA  C 2 8   ? 7.80309   2.51170   10.70737  1.000 20.05451 ? 27  DA  D C6    1 
ATOM   1891 N  N6    . DA  C 2 8   ? 6.97500   3.55638   10.69514  1.000 17.65221 ? 27  DA  D N6    1 
ATOM   1892 N  N1    . DA  C 2 8   ? 7.30393   1.27522   10.49054  1.000 20.21391 ? 27  DA  D N1    1 
ATOM   1893 C  C2    . DA  C 2 8   ? 8.14179   0.22877   10.49807  1.000 18.02427 ? 27  DA  D C2    1 
ATOM   1894 N  N3    . DA  C 2 8   ? 9.45716   0.21414   10.70718  1.000 17.96607 ? 27  DA  D N3    1 
ATOM   1895 C  C4    . DA  C 2 8   ? 9.91857   1.45521   10.92324  1.000 18.03341 ? 27  DA  D C4    1 
ATOM   1896 P  P     . DA  C 2 9   ? 15.99220  -0.30211  8.97067   1.000 39.22650 ? 28  DA  D P     1 
ATOM   1897 O  OP1   . DA  C 2 9   ? 17.19172  -1.14310  9.13795   1.000 44.98576 ? 28  DA  D OP1   1 
ATOM   1898 O  OP2   . DA  C 2 9   ? 16.05804  1.00652   8.28345   1.000 36.68723 ? 28  DA  D OP2   1 
ATOM   1899 O  "O5'" . DA  C 2 9   ? 14.91059  -1.17057  8.19356   1.000 31.39443 ? 28  DA  D "O5'" 1 
ATOM   1900 C  "C5'" . DA  C 2 9   ? 14.42960  -2.36709  8.75921   1.000 29.63257 ? 28  DA  D "C5'" 1 
ATOM   1901 C  "C4'" . DA  C 2 9   ? 13.25891  -2.89928  7.95875   1.000 28.86685 ? 28  DA  D "C4'" 1 
ATOM   1902 O  "O4'" . DA  C 2 9   ? 12.10508  -2.04273  8.14949   1.000 24.79269 ? 28  DA  D "O4'" 1 
ATOM   1903 C  "C3'" . DA  C 2 9   ? 13.48056  -2.97605  6.44869   1.000 32.25672 ? 28  DA  D "C3'" 1 
ATOM   1904 O  "O3'" . DA  C 2 9   ? 12.88112  -4.15965  5.97171   1.000 34.38666 ? 28  DA  D "O3'" 1 
ATOM   1905 C  "C2'" . DA  C 2 9   ? 12.75937  -1.73095  5.93095   1.000 25.02392 ? 28  DA  D "C2'" 1 
ATOM   1906 C  "C1'" . DA  C 2 9   ? 11.59309  -1.64934  6.89356   1.000 23.48087 ? 28  DA  D "C1'" 1 
ATOM   1907 N  N9    . DA  C 2 9   ? 11.03586  -0.31235  7.03169   1.000 23.22890 ? 28  DA  D N9    1 
ATOM   1908 C  C8    . DA  C 2 9   ? 11.72259  0.86415   7.14505   1.000 23.61340 ? 28  DA  D C8    1 
ATOM   1909 N  N7    . DA  C 2 9   ? 10.94906  1.91782   7.27453   1.000 21.61447 ? 28  DA  D N7    1 
ATOM   1910 C  C5    . DA  C 2 9   ? 9.66741   1.39200   7.23972   1.000 22.81725 ? 28  DA  D C5    1 
ATOM   1911 C  C6    . DA  C 2 9   ? 8.39278   1.98397   7.32794   1.000 19.35944 ? 28  DA  D C6    1 
ATOM   1912 N  N6    . DA  C 2 9   ? 8.19730   3.30036   7.46458   1.000 18.76819 ? 28  DA  D N6    1 
ATOM   1913 N  N1    . DA  C 2 9   ? 7.32192   1.16969   7.24864   1.000 21.49877 ? 28  DA  D N1    1 
ATOM   1914 C  C2    . DA  C 2 9   ? 7.51620   -0.14504  7.10326   1.000 20.36978 ? 28  DA  D C2    1 
ATOM   1915 N  N3    . DA  C 2 9   ? 8.66187   -0.81481  7.01708   1.000 20.32386 ? 28  DA  D N3    1 
ATOM   1916 C  C4    . DA  C 2 9   ? 9.70648   0.01892   7.09290   1.000 19.77349 ? 28  DA  D C4    1 
ATOM   1917 P  P     . DA  C 2 10  ? 13.08542  -4.67296  4.46383   1.000 35.33445 ? 29  DA  D P     1 
ATOM   1918 O  OP1   . DA  C 2 10  ? 13.74619  -5.99203  4.57409   1.000 45.77621 ? 29  DA  D OP1   1 
ATOM   1919 O  OP2   . DA  C 2 10  ? 13.69612  -3.64822  3.58669   1.000 35.64516 ? 29  DA  D OP2   1 
ATOM   1920 O  "O5'" . DA  C 2 10  ? 11.58149  -4.93862  4.01119   1.000 33.71976 ? 29  DA  D "O5'" 1 
ATOM   1921 C  "C5'" . DA  C 2 10  ? 10.60747  -5.23295  5.01421   1.000 28.15821 ? 29  DA  D "C5'" 1 
ATOM   1922 C  "C4'" . DA  C 2 10  ? 9.19178   -5.23897  4.45641   1.000 30.34904 ? 29  DA  D "C4'" 1 
ATOM   1923 O  "O4'" . DA  C 2 10  ? 8.58251   -3.93677  4.64506   1.000 22.98189 ? 29  DA  D "O4'" 1 
ATOM   1924 C  "C3'" . DA  C 2 10  ? 9.05711   -5.56038  2.97697   1.000 28.70874 ? 29  DA  D "C3'" 1 
ATOM   1925 O  "O3'" . DA  C 2 10  ? 7.86437   -6.31541  2.76978   1.000 31.37800 ? 29  DA  D "O3'" 1 
ATOM   1926 C  "C2'" . DA  C 2 10  ? 8.98656   -4.17610  2.32219   1.000 23.48989 ? 29  DA  D "C2'" 1 
ATOM   1927 C  "C1'" . DA  C 2 10  ? 8.32122   -3.32308  3.39804   1.000 24.42654 ? 29  DA  D "C1'" 1 
ATOM   1928 N  N9    . DA  C 2 10  ? 8.84200   -1.96193  3.46630   1.000 26.20290 ? 29  DA  D N9    1 
ATOM   1929 C  C8    . DA  C 2 10  ? 10.15324  -1.57914  3.41993   1.000 21.91673 ? 29  DA  D C8    1 
ATOM   1930 N  N7    . DA  C 2 10  ? 10.32881  -0.28211  3.52399   1.000 22.14954 ? 29  DA  D N7    1 
ATOM   1931 C  C5    . DA  C 2 10  ? 9.04444   0.21334   3.65850   1.000 20.95662 ? 29  DA  D C5    1 
ATOM   1932 C  C6    . DA  C 2 10  ? 8.54553   1.51950   3.82040   1.000 23.23005 ? 29  DA  D C6    1 
ATOM   1933 N  N6    . DA  C 2 10  ? 9.32610   2.60250   3.85808   1.000 21.18902 ? 29  DA  D N6    1 
ATOM   1934 N  N1    . DA  C 2 10  ? 7.20799   1.67164   3.92274   1.000 21.70928 ? 29  DA  D N1    1 
ATOM   1935 C  C2    . DA  C 2 10  ? 6.42870   0.58633   3.87538   1.000 20.80949 ? 29  DA  D C2    1 
ATOM   1936 N  N3    . DA  C 2 10  ? 6.78070   -0.69348  3.73634   1.000 21.78178 ? 29  DA  D N3    1 
ATOM   1937 C  C4    . DA  C 2 10  ? 8.11766   -0.80964  3.63022   1.000 20.20050 ? 29  DA  D C4    1 
ATOM   1938 P  P     . DA  C 2 11  ? 7.37458   -6.71556  1.29232   1.000 33.74335 ? 30  DA  D P     1 
ATOM   1939 O  OP1   . DA  C 2 11  ? 6.51023   -7.90374  1.45169   1.000 35.31886 ? 30  DA  D OP1   1 
ATOM   1940 O  OP2   . DA  C 2 11  ? 8.52933   -6.72401  0.36699   1.000 30.54642 ? 30  DA  D OP2   1 
ATOM   1941 O  "O5'" . DA  C 2 11  ? 6.41353   -5.51634  0.87140   1.000 34.56407 ? 30  DA  D "O5'" 1 
ATOM   1942 C  "C5'" . DA  C 2 11  ? 5.31527   -5.18669  1.70175   1.000 32.45995 ? 30  DA  D "C5'" 1 
ATOM   1943 C  "C4'" . DA  C 2 11  ? 4.56848   -3.99736  1.14490   1.000 28.35937 ? 30  DA  D "C4'" 1 
ATOM   1944 O  "O4'" . DA  C 2 11  ? 5.33929   -2.79590  1.38025   1.000 24.29301 ? 30  DA  D "O4'" 1 
ATOM   1945 C  "C3'" . DA  C 2 11  ? 4.29874   -4.05403  -0.35841  1.000 31.62363 ? 30  DA  D "C3'" 1 
ATOM   1946 O  "O3'" . DA  C 2 11  ? 2.92191   -3.79064  -0.58859  1.000 30.76464 ? 30  DA  D "O3'" 1 
ATOM   1947 C  "C2'" . DA  C 2 11  ? 5.21343   -2.96250  -0.93931  1.000 31.47896 ? 30  DA  D "C2'" 1 
ATOM   1948 C  "C1'" . DA  C 2 11  ? 5.33059   -1.99626  0.22585   1.000 26.20411 ? 30  DA  D "C1'" 1 
ATOM   1949 N  N9    . DA  C 2 11  ? 6.55775   -1.20411  0.24070   1.000 26.15030 ? 30  DA  D N9    1 
ATOM   1950 C  C8    . DA  C 2 11  ? 7.84099   -1.66195  0.12248   1.000 24.05199 ? 30  DA  D C8    1 
ATOM   1951 N  N7    . DA  C 2 11  ? 8.75205   -0.71738  0.21095   1.000 24.81375 ? 30  DA  D N7    1 
ATOM   1952 C  C5    . DA  C 2 11  ? 8.01041   0.43601   0.41825   1.000 25.21352 ? 30  DA  D C5    1 
ATOM   1953 C  C6    . DA  C 2 11  ? 8.37807   1.78578   0.59723   1.000 22.97012 ? 30  DA  D C6    1 
ATOM   1954 N  N6    . DA  C 2 11  ? 9.64559   2.21367   0.59058   1.000 22.02609 ? 30  DA  D N6    1 
ATOM   1955 N  N1    . DA  C 2 11  ? 7.38487   2.68458   0.77880   1.000 24.24458 ? 30  DA  D N1    1 
ATOM   1956 C  C2    . DA  C 2 11  ? 6.11716   2.25673   0.77893   1.000 21.60264 ? 30  DA  D C2    1 
ATOM   1957 N  N3    . DA  C 2 11  ? 5.65206   1.01662   0.62394   1.000 22.77054 ? 30  DA  D N3    1 
ATOM   1958 C  C4    . DA  C 2 11  ? 6.65759   0.14905   0.44874   1.000 20.99831 ? 30  DA  D C4    1 
ATOM   1959 P  P     . DG  C 2 12  ? 2.29632   -3.82902  -2.06541  1.000 36.06295 ? 31  DG  D P     1 
ATOM   1960 O  OP1   . DG  C 2 12  ? 0.93626   -4.38055  -1.92526  1.000 32.11232 ? 31  DG  D OP1   1 
ATOM   1961 O  OP2   . DG  C 2 12  ? 3.24785   -4.44610  -3.02338  1.000 38.62183 ? 31  DG  D OP2   1 
ATOM   1962 O  "O5'" . DG  C 2 12  ? 2.15601   -2.29095  -2.43913  1.000 31.48408 ? 31  DG  D "O5'" 1 
ATOM   1963 C  "C5'" . DG  C 2 12  ? 1.50058   -1.41796  -1.54359  1.000 31.02162 ? 31  DG  D "C5'" 1 
ATOM   1964 C  "C4'" . DG  C 2 12  ? 1.59628   0.00529   -2.03198  1.000 31.18613 ? 31  DG  D "C4'" 1 
ATOM   1965 O  "O4'" . DG  C 2 12  ? 2.91230   0.52469   -1.71729  1.000 30.42224 ? 31  DG  D "O4'" 1 
ATOM   1966 C  "C3'" . DG  C 2 12  ? 1.41553   0.17527   -3.54408  1.000 36.64430 ? 31  DG  D "C3'" 1 
ATOM   1967 O  "O3'" . DG  C 2 12  ? 0.50341   1.23615   -3.80599  1.000 38.87733 ? 31  DG  D "O3'" 1 
ATOM   1968 C  "C2'" . DG  C 2 12  ? 2.82694   0.50481   -4.04129  1.000 32.37388 ? 31  DG  D "C2'" 1 
ATOM   1969 C  "C1'" . DG  C 2 12  ? 3.40757   1.21975   -2.83292  1.000 28.32596 ? 31  DG  D "C1'" 1 
ATOM   1970 N  N9    . DG  C 2 12  ? 4.86969   1.21601   -2.77292  1.000 24.56255 ? 31  DG  D N9    1 
ATOM   1971 C  C8    . DG  C 2 12  ? 5.70621   0.12649   -2.85145  1.000 30.44800 ? 31  DG  D C8    1 
ATOM   1972 N  N7    . DG  C 2 12  ? 6.97255   0.43801   -2.76084  1.000 30.06531 ? 31  DG  D N7    1 
ATOM   1973 C  C5    . DG  C 2 12  ? 6.97185   1.81979   -2.60206  1.000 27.44060 ? 31  DG  D C5    1 
ATOM   1974 C  C6    . DG  C 2 12  ? 8.05046   2.72062   -2.45112  1.000 26.44351 ? 31  DG  D C6    1 
ATOM   1975 O  O6    . DG  C 2 12  ? 9.25999   2.46532   -2.42171  1.000 27.82861 ? 31  DG  D O6    1 
ATOM   1976 N  N1    . DG  C 2 12  ? 7.61197   4.03833   -2.32801  1.000 27.49840 ? 31  DG  D N1    1 
ATOM   1977 C  C2    . DG  C 2 12  ? 6.29002   4.42936   -2.34354  1.000 27.90504 ? 31  DG  D C2    1 
ATOM   1978 N  N2    . DG  C 2 12  ? 6.05113   5.74417   -2.21527  1.000 25.24420 ? 31  DG  D N2    1 
ATOM   1979 N  N3    . DG  C 2 12  ? 5.27422   3.59293   -2.48243  1.000 24.93521 ? 31  DG  D N3    1 
ATOM   1980 C  C4    . DG  C 2 12  ? 5.68604   2.31030   -2.60472  1.000 25.08197 ? 31  DG  D C4    1 
ATOM   1981 O  "O5'" . DC  D 3 1   ? 12.91327  13.03697  -2.06531  1.000 64.45357 ? 41  DC  E "O5'" 1 
ATOM   1982 C  "C5'" . DC  D 3 1   ? 12.23416  12.00668  -1.35990  1.000 46.05527 ? 41  DC  E "C5'" 1 
ATOM   1983 C  "C4'" . DC  D 3 1   ? 10.88334  11.71938  -1.99018  1.000 43.93383 ? 41  DC  E "C4'" 1 
ATOM   1984 O  "O4'" . DC  D 3 1   ? 10.91074  10.40192  -2.59783  1.000 42.03180 ? 41  DC  E "O4'" 1 
ATOM   1985 C  "C3'" . DC  D 3 1   ? 9.71016   11.72467  -1.00737  1.000 39.12905 ? 41  DC  E "C3'" 1 
ATOM   1986 O  "O3'" . DC  D 3 1   ? 8.62909   12.49996  -1.51157  1.000 39.26641 ? 41  DC  E "O3'" 1 
ATOM   1987 C  "C2'" . DC  D 3 1   ? 9.33020   10.25185  -0.87784  1.000 35.55006 ? 41  DC  E "C2'" 1 
ATOM   1988 C  "C1'" . DC  D 3 1   ? 9.78170   9.66471   -2.20641  1.000 37.70919 ? 41  DC  E "C1'" 1 
ATOM   1989 N  N1    . DC  D 3 1   ? 10.17866  8.24582   -2.08142  1.000 37.57238 ? 41  DC  E N1    1 
ATOM   1990 C  C2    . DC  D 3 1   ? 9.21640   7.24156   -2.22543  1.000 33.88936 ? 41  DC  E C2    1 
ATOM   1991 O  O2    . DC  D 3 1   ? 8.05113   7.55815   -2.48915  1.000 33.55789 ? 41  DC  E O2    1 
ATOM   1992 N  N3    . DC  D 3 1   ? 9.59662   5.94639   -2.08633  1.000 32.75509 ? 41  DC  E N3    1 
ATOM   1993 C  C4    . DC  D 3 1   ? 10.87059  5.65252   -1.80700  1.000 34.57899 ? 41  DC  E C4    1 
ATOM   1994 N  N4    . DC  D 3 1   ? 11.20552  4.36485   -1.68286  1.000 34.17122 ? 41  DC  E N4    1 
ATOM   1995 C  C5    . DC  D 3 1   ? 11.85717  6.66653   -1.64100  1.000 37.45086 ? 41  DC  E C5    1 
ATOM   1996 C  C6    . DC  D 3 1   ? 11.46788  7.93508   -1.77634  1.000 38.23341 ? 41  DC  E C6    1 
HETATM 1997 N  N1    . BRU D 3 2   ? 6.58077   7.42848   0.97324   1.000 24.41515 ? 42  BRU E N1    1 
HETATM 1998 C  C2    . BRU D 3 2   ? 6.49570   6.01471   0.94318   1.000 24.99248 ? 42  BRU E C2    1 
HETATM 1999 N  N3    . BRU D 3 2   ? 7.55483   5.24482   1.21974   1.000 23.74174 ? 42  BRU E N3    1 
HETATM 2000 C  C4    . BRU D 3 2   ? 8.73115   5.80217   1.52206   1.000 28.77694 ? 42  BRU E C4    1 
HETATM 2001 C  C5    . BRU D 3 2   ? 8.83938   7.27637   1.55703   1.000 27.32843 ? 42  BRU E C5    1 
HETATM 2002 C  C6    . BRU D 3 2   ? 7.72511   8.03412   1.27062   1.000 26.54820 ? 42  BRU E C6    1 
HETATM 2003 O  O2    . BRU D 3 2   ? 5.40388   5.47260   0.66347   1.000 25.56582 ? 42  BRU E O2    1 
HETATM 2004 O  O4    . BRU D 3 2   ? 9.73357   5.10346   1.77763   1.000 30.07878 ? 42  BRU E O4    1 
HETATM 2005 BR BR    . BRU D 3 2   ? 10.46789  8.11426   1.99607   1.000 56.70004 ? 42  BRU E BR    1 
HETATM 2006 C  "C1'" . BRU D 3 2   ? 5.40747   8.24063   0.63952   1.000 24.08312 ? 42  BRU E "C1'" 1 
HETATM 2007 C  "C2'" . BRU D 3 2   ? 4.95969   9.21589   1.71914   1.000 23.42166 ? 42  BRU E "C2'" 1 
HETATM 2008 C  "C3'" . BRU D 3 2   ? 4.35611   10.36833  0.93684   1.000 25.73969 ? 42  BRU E "C3'" 1 
HETATM 2009 C  "C4'" . BRU D 3 2   ? 4.87485   10.19696  -0.48516  1.000 27.54983 ? 42  BRU E "C4'" 1 
HETATM 2010 O  "O3'" . BRU D 3 2   ? 2.94506   10.24854  0.76458   1.000 27.35448 ? 42  BRU E "O3'" 1 
HETATM 2011 O  "O4'" . BRU D 3 2   ? 5.73855   9.06400   -0.48149  1.000 27.09815 ? 42  BRU E "O4'" 1 
HETATM 2012 C  "C5'" . BRU D 3 2   ? 5.58102   11.43406  -1.00712  1.000 31.60339 ? 42  BRU E "C5'" 1 
HETATM 2013 O  "O5'" . BRU D 3 2   ? 6.63040   11.79636  -0.12411  1.000 32.25138 ? 42  BRU E "O5'" 1 
HETATM 2014 P  P     . BRU D 3 2   ? 7.51768   13.07129  -0.49568  1.000 36.79828 ? 42  BRU E P     1 
HETATM 2015 O  OP1   . BRU D 3 2   ? 6.66495   14.04813  -1.26911  1.000 38.63667 ? 42  BRU E OP1   1 
HETATM 2016 O  OP2   . BRU D 3 2   ? 8.24713   13.51867  0.74214   1.000 37.39789 ? 42  BRU E OP2   1 
ATOM   2017 P  P     . DT  D 3 3   ? 1.94028   10.11105  2.00692   1.000 24.29982 ? 43  DT  E P     1 
ATOM   2018 O  OP1   . DT  D 3 3   ? 0.66499   10.65501  1.49226   1.000 25.92613 ? 43  DT  E OP1   1 
ATOM   2019 O  OP2   . DT  D 3 3   ? 2.52334   10.61944  3.27109   1.000 21.83587 ? 43  DT  E OP2   1 
ATOM   2020 O  "O5'" . DT  D 3 3   ? 1.77851   8.53883   2.17483   1.000 23.33157 ? 43  DT  E "O5'" 1 
ATOM   2021 C  "C5'" . DT  D 3 3   ? 1.24622   7.79305   1.11433   1.000 22.80531 ? 43  DT  E "C5'" 1 
ATOM   2022 C  "C4'" . DT  D 3 3   ? 1.15327   6.33239   1.48058   1.000 19.07820 ? 43  DT  E "C4'" 1 
ATOM   2023 O  "O4'" . DT  D 3 3   ? 2.47227   5.80480   1.74002   1.000 17.93832 ? 43  DT  E "O4'" 1 
ATOM   2024 C  "C3'" . DT  D 3 3   ? 0.31183   6.01574   2.72085   1.000 19.47544 ? 43  DT  E "C3'" 1 
ATOM   2025 O  "O3'" . DT  D 3 3   ? -0.49641  4.91837   2.39926   1.000 21.65291 ? 43  DT  E "O3'" 1 
ATOM   2026 C  "C2'" . DT  D 3 3   ? 1.36608   5.65941   3.78037   1.000 14.77481 ? 43  DT  E "C2'" 1 
ATOM   2027 C  "C1'" . DT  D 3 3   ? 2.44427   5.02414   2.91029   1.000 18.09987 ? 43  DT  E "C1'" 1 
ATOM   2028 N  N1    . DT  D 3 3   ? 3.83378   5.01667   3.47383   1.000 19.49826 ? 43  DT  E N1    1 
ATOM   2029 C  C2    . DT  D 3 3   ? 4.52119   3.81992   3.55493   1.000 20.73367 ? 43  DT  E C2    1 
ATOM   2030 O  O2    . DT  D 3 3   ? 4.03429   2.74595   3.25863   1.000 21.42358 ? 43  DT  E O2    1 
ATOM   2031 N  N3    . DT  D 3 3   ? 5.80284   3.92248   4.02134   1.000 17.78797 ? 43  DT  E N3    1 
ATOM   2032 C  C4    . DT  D 3 3   ? 6.46537   5.07354   4.39753   1.000 21.00726 ? 43  DT  E C4    1 
ATOM   2033 O  O4    . DT  D 3 3   ? 7.62298   5.06114   4.80835   1.000 20.43202 ? 43  DT  E O4    1 
ATOM   2034 C  C5    . DT  D 3 3   ? 5.70565   6.29414   4.27307   1.000 21.25891 ? 43  DT  E C5    1 
ATOM   2035 C  C7    . DT  D 3 3   ? 6.33140   7.60278   4.66190   1.000 20.88979 ? 43  DT  E C7    1 
ATOM   2036 C  C6    . DT  D 3 3   ? 4.44126   6.21129   3.81222   1.000 19.36590 ? 43  DT  E C6    1 
ATOM   2037 P  P     . DT  D 3 4   ? -1.65930  4.40506   3.36824   1.000 18.87713 ? 44  DT  E P     1 
ATOM   2038 O  OP1   . DT  D 3 4   ? -2.79236  4.09471   2.46359   1.000 16.47394 ? 44  DT  E OP1   1 
ATOM   2039 O  OP2   . DT  D 3 4   ? -1.82312  5.31794   4.52270   1.000 20.39037 ? 44  DT  E OP2   1 
ATOM   2040 O  "O5'" . DT  D 3 4   ? -1.10877  3.01363   3.87000   1.000 21.02307 ? 44  DT  E "O5'" 1 
ATOM   2041 C  "C5'" . DT  D 3 4   ? -0.74834  2.05336   2.90531   1.000 18.29615 ? 44  DT  E "C5'" 1 
ATOM   2042 C  "C4'" . DT  D 3 4   ? 0.02095   0.93040   3.54345   1.000 20.30145 ? 44  DT  E "C4'" 1 
ATOM   2043 O  "O4'" . DT  D 3 4   ? 1.29383   1.41713   4.00919   1.000 20.41159 ? 44  DT  E "O4'" 1 
ATOM   2044 C  "C3'" . DT  D 3 4   ? -0.65318  0.27766   4.75199   1.000 16.77226 ? 44  DT  E "C3'" 1 
ATOM   2045 O  "O3'" . DT  D 3 4   ? -0.62383  -1.11372  4.54340   1.000 21.57260 ? 44  DT  E "O3'" 1 
ATOM   2046 C  "C2'" . DT  D 3 4   ? 0.23548   0.70863   5.93336   1.000 19.82943 ? 44  DT  E "C2'" 1 
ATOM   2047 C  "C1'" . DT  D 3 4   ? 1.57894   0.82398   5.24601   1.000 18.48412 ? 44  DT  E "C1'" 1 
ATOM   2048 N  N1    . DT  D 3 4   ? 2.58566   1.68249   5.91823   1.000 17.99471 ? 44  DT  E N1    1 
ATOM   2049 C  C2    . DT  D 3 4   ? 3.83426   1.16614   6.15378   1.000 17.79248 ? 44  DT  E C2    1 
ATOM   2050 O  O2    . DT  D 3 4   ? 4.13341   0.00980   5.90064   1.000 17.71084 ? 44  DT  E O2    1 
ATOM   2051 N  N3    . DT  D 3 4   ? 4.71877   2.03869   6.72362   1.000 18.07847 ? 44  DT  E N3    1 
ATOM   2052 C  C4    . DT  D 3 4   ? 4.48941   3.36351   7.04531   1.000 19.45131 ? 44  DT  E C4    1 
ATOM   2053 O  O4    . DT  D 3 4   ? 5.34525   4.06985   7.55551   1.000 20.08749 ? 44  DT  E O4    1 
ATOM   2054 C  C5    . DT  D 3 4   ? 3.16459   3.85187   6.75199   1.000 17.58574 ? 44  DT  E C5    1 
ATOM   2055 C  C7    . DT  D 3 4   ? 2.80462   5.26887   7.07290   1.000 15.99960 ? 44  DT  E C7    1 
ATOM   2056 C  C6    . DT  D 3 4   ? 2.28941   3.00510   6.19043   1.000 15.23824 ? 44  DT  E C6    1 
ATOM   2057 P  P     . DT  D 3 5   ? -1.40409  -2.13568  5.49842   1.000 19.67861 ? 45  DT  E P     1 
ATOM   2058 O  OP1   . DT  D 3 5   ? -1.75813  -3.26096  4.60493   1.000 19.45536 ? 45  DT  E OP1   1 
ATOM   2059 O  OP2   . DT  D 3 5   ? -2.47324  -1.43370  6.25149   1.000 21.19164 ? 45  DT  E OP2   1 
ATOM   2060 O  "O5'" . DT  D 3 5   ? -0.27843  -2.60479  6.50986   1.000 17.92421 ? 45  DT  E "O5'" 1 
ATOM   2061 C  "C5'" . DT  D 3 5   ? 0.82395   -3.34064  6.01980   1.000 24.20713 ? 45  DT  E "C5'" 1 
ATOM   2062 C  "C4'" . DT  D 3 5   ? 1.94407   -3.38749  7.03788   1.000 22.45857 ? 45  DT  E "C4'" 1 
ATOM   2063 O  "O4'" . DT  D 3 5   ? 2.45563   -2.05673  7.28809   1.000 20.74315 ? 45  DT  E "O4'" 1 
ATOM   2064 C  "C3'" . DT  D 3 5   ? 1.56614   -3.94922  8.42176   1.000 23.96630 ? 45  DT  E "C3'" 1 
ATOM   2065 O  "O3'" . DT  D 3 5   ? 2.35048   -5.09883  8.69160   1.000 26.57946 ? 45  DT  E "O3'" 1 
ATOM   2066 C  "C2'" . DT  D 3 5   ? 1.92525   -2.80401  9.37807   1.000 21.39124 ? 45  DT  E "C2'" 1 
ATOM   2067 C  "C1'" . DT  D 3 5   ? 2.97630   -2.07887  8.58260   1.000 19.77558 ? 45  DT  E "C1'" 1 
ATOM   2068 N  N1    . DT  D 3 5   ? 3.25606   -0.70154  9.06017   1.000 20.81472 ? 45  DT  E N1    1 
ATOM   2069 C  C2    . DT  D 3 5   ? 4.54432   -0.38421  9.41079   1.000 16.83243 ? 45  DT  E C2    1 
ATOM   2070 O  O2    . DT  D 3 5   ? 5.46219   -1.17724  9.34097   1.000 18.62816 ? 45  DT  E O2    1 
ATOM   2071 N  N3    . DT  D 3 5   ? 4.72196   0.89565   9.85187   1.000 20.52543 ? 45  DT  E N3    1 
ATOM   2072 C  C4    . DT  D 3 5   ? 3.75842   1.87782   9.97100   1.000 14.92875 ? 45  DT  E C4    1 
ATOM   2073 O  O4    . DT  D 3 5   ? 4.02213   3.00293   10.37305  1.000 20.88758 ? 45  DT  E O4    1 
ATOM   2074 C  C5    . DT  D 3 5   ? 2.42224   1.48136   9.59466   1.000 16.12221 ? 45  DT  E C5    1 
ATOM   2075 C  C7    . DT  D 3 5   ? 1.29324   2.46499   9.68390   1.000 15.72882 ? 45  DT  E C7    1 
ATOM   2076 C  C6    . DT  D 3 5   ? 2.23590   0.21999   9.15985   1.000 17.31596 ? 45  DT  E C6    1 
ATOM   2077 P  P     . DG  D 3 6   ? 1.88758   -6.18700  9.77872   1.000 25.93737 ? 46  DG  E P     1 
ATOM   2078 O  OP1   . DG  D 3 6   ? 2.96039   -7.18586  9.89924   1.000 34.78669 ? 46  DG  E OP1   1 
ATOM   2079 O  OP2   . DG  D 3 6   ? 0.51861   -6.62283  9.43981   1.000 39.60692 ? 46  DG  E OP2   1 
ATOM   2080 O  "O5'" . DG  D 3 6   ? 1.80634   -5.36881  11.14508  1.000 37.43171 ? 46  DG  E "O5'" 1 
ATOM   2081 C  "C5'" . DG  D 3 6   ? 2.55022   -5.77883  12.26764  1.000 34.36719 ? 46  DG  E "C5'" 1 
ATOM   2082 C  "C4'" . DG  D 3 6   ? 3.93182   -5.14945  12.28099  1.000 29.33155 ? 46  DG  E "C4'" 1 
ATOM   2083 O  "O4'" . DG  D 3 6   ? 3.86059   -3.73386  11.92415  1.000 30.52685 ? 46  DG  E "O4'" 1 
ATOM   2084 C  "C3'" . DG  D 3 6   ? 4.62570   -5.20314  13.64277  1.000 26.32916 ? 46  DG  E "C3'" 1 
ATOM   2085 O  "O3'" . DG  D 3 6   ? 5.91140   -5.75099  13.50291  1.000 30.72187 ? 46  DG  E "O3'" 1 
ATOM   2086 C  "C2'" . DG  D 3 6   ? 4.68777   -3.73657  14.07112  1.000 24.70175 ? 46  DG  E "C2'" 1 
ATOM   2087 C  "C1'" . DG  D 3 6   ? 4.78107   -3.04939  12.72926  1.000 26.57618 ? 46  DG  E "C1'" 1 
ATOM   2088 N  N9    . DG  D 3 6   ? 4.44853   -1.62913  12.78645  1.000 24.34130 ? 46  DG  E N9    1 
ATOM   2089 C  C8    . DG  D 3 6   ? 3.23601   -1.03925  12.55249  1.000 20.69008 ? 46  DG  E C8    1 
ATOM   2090 N  N7    . DG  D 3 6   ? 3.25688   0.25533   12.69663  1.000 24.12550 ? 46  DG  E N7    1 
ATOM   2091 C  C5    . DG  D 3 6   ? 4.56708   0.53271   13.05521  1.000 21.29701 ? 46  DG  E C5    1 
ATOM   2092 C  C6    . DG  D 3 6   ? 5.19142   1.76219   13.34633  1.000 17.95860 ? 46  DG  E C6    1 
ATOM   2093 O  O6    . DG  D 3 6   ? 4.69818   2.88387   13.34676  1.000 20.08202 ? 46  DG  E O6    1 
ATOM   2094 N  N1    . DG  D 3 6   ? 6.52947   1.59776   13.67841  1.000 18.20585 ? 46  DG  E N1    1 
ATOM   2095 C  C2    . DG  D 3 6   ? 7.18054   0.39877   13.71815  1.000 19.27466 ? 46  DG  E C2    1 
ATOM   2096 N  N2    . DG  D 3 6   ? 8.47558   0.44014   14.05078  1.000 21.46127 ? 46  DG  E N2    1 
ATOM   2097 N  N3    . DG  D 3 6   ? 6.60821   -0.76103  13.43809  1.000 18.70675 ? 46  DG  E N3    1 
ATOM   2098 C  C4    . DG  D 3 6   ? 5.30558   -0.61570  13.12029  1.000 18.48378 ? 46  DG  E C4    1 
ATOM   2099 P  P     . DT  D 3 7   ? 6.54156   -6.63363  14.68589  1.000 36.66887 ? 47  DT  E P     1 
ATOM   2100 O  OP1   . DT  D 3 7   ? 7.42070   -7.65657  14.06095  1.000 42.95113 ? 47  DT  E OP1   1 
ATOM   2101 O  OP2   . DT  D 3 7   ? 5.44848   -6.99882  15.61475  1.000 35.15760 ? 47  DT  E OP2   1 
ATOM   2102 O  "O5'" . DT  D 3 7   ? 7.49836   -5.62218  15.45169  1.000 40.92673 ? 47  DT  E "O5'" 1 
ATOM   2103 C  "C5'" . DT  D 3 7   ? 6.99971   -4.90893  16.51751  1.000 34.42950 ? 47  DT  E "C5'" 1 
ATOM   2104 C  "C4'" . DT  D 3 7   ? 8.03867   -3.98391  17.09433  1.000 33.88652 ? 47  DT  E "C4'" 1 
ATOM   2105 O  "O4'" . DT  D 3 7   ? 7.89871   -2.67156  16.48602  1.000 25.06097 ? 47  DT  E "O4'" 1 
ATOM   2106 C  "C3'" . DT  D 3 7   ? 7.86625   -3.80068  18.59085  1.000 28.31790 ? 47  DT  E "C3'" 1 
ATOM   2107 O  "O3'" . DT  D 3 7   ? 8.99289   -4.25361  19.29667  1.000 36.27377 ? 47  DT  E "O3'" 1 
ATOM   2108 C  "C2'" . DT  D 3 7   ? 7.63052   -2.31375  18.80110  1.000 29.76261 ? 47  DT  E "C2'" 1 
ATOM   2109 C  "C1'" . DT  D 3 7   ? 7.99267   -1.67280  17.47481  1.000 24.42648 ? 47  DT  E "C1'" 1 
ATOM   2110 N  N1    . DT  D 3 7   ? 7.04859   -0.58874  17.16896  1.000 20.80898 ? 47  DT  E N1    1 
ATOM   2111 C  C2    . DT  D 3 7   ? 7.45515   0.70646   17.33305  1.000 20.78693 ? 47  DT  E C2    1 
ATOM   2112 O  O2    . DT  D 3 7   ? 8.58427   1.00749   17.65430  1.000 22.51655 ? 47  DT  E O2    1 
ATOM   2113 N  N3    . DT  D 3 7   ? 6.49615   1.64354   17.08255  1.000 21.52920 ? 47  DT  E N3    1 
ATOM   2114 C  C4    . DT  D 3 7   ? 5.18525   1.41417   16.71558  1.000 20.51047 ? 47  DT  E C4    1 
ATOM   2115 O  O4    . DT  D 3 7   ? 4.38638   2.32784   16.51865  1.000 23.51284 ? 47  DT  E O4    1 
ATOM   2116 C  C5    . DT  D 3 7   ? 4.81263   0.02528   16.59548  1.000 20.09283 ? 47  DT  E C5    1 
ATOM   2117 C  C7    . DT  D 3 7   ? 3.41470   -0.34722  16.20768  1.000 19.75431 ? 47  DT  E C7    1 
ATOM   2118 C  C6    . DT  D 3 7   ? 5.74755   -0.90012  16.84063  1.000 21.70625 ? 47  DT  E C6    1 
ATOM   2119 P  P     . DA  D 3 8   ? 8.81152   -4.62982  20.84224  1.000 38.31966 ? 48  DA  E P     1 
ATOM   2120 O  OP1   . DA  D 3 8   ? 9.88508   -5.56572  21.23107  1.000 42.93121 ? 48  DA  E OP1   1 
ATOM   2121 O  OP2   . DA  D 3 8   ? 7.38571   -5.00899  20.98786  1.000 34.50386 ? 48  DA  E OP2   1 
ATOM   2122 O  "O5'" . DA  D 3 8   ? 8.98028   -3.22989  21.61248  1.000 38.48674 ? 48  DA  E "O5'" 1 
ATOM   2123 C  "C5'" . DA  D 3 8   ? 10.12362  -2.41735  21.37969  1.000 43.09023 ? 48  DA  E "C5'" 1 
ATOM   2124 C  "C4'" . DA  D 3 8   ? 9.87661   -0.98148  21.82254  1.000 27.96663 ? 48  DA  E "C4'" 1 
ATOM   2125 O  "O4'" . DA  D 3 8   ? 9.03157   -0.30191  20.87755  1.000 25.52753 ? 48  DA  E "O4'" 1 
ATOM   2126 C  "C3'" . DA  D 3 8   ? 9.13360   -0.81447  23.14059  1.000 27.54868 ? 48  DA  E "C3'" 1 
ATOM   2127 O  "O3'" . DA  D 3 8   ? 10.04404  -0.83544  24.23538  1.000 37.06717 ? 48  DA  E "O3'" 1 
ATOM   2128 C  "C2'" . DA  D 3 8   ? 8.49247   0.56943   22.99309  1.000 32.89910 ? 48  DA  E "C2'" 1 
ATOM   2129 C  "C1'" . DA  D 3 8   ? 8.60240   0.88362   21.50174  1.000 27.34757 ? 48  DA  E "C1'" 1 
ATOM   2130 N  N9    . DA  D 3 8   ? 7.33572   1.33674   20.92964  1.000 23.18345 ? 48  DA  E N9    1 
ATOM   2131 C  C8    . DA  D 3 8   ? 6.30410   0.57035   20.46848  1.000 22.51760 ? 48  DA  E C8    1 
ATOM   2132 N  N7    . DA  D 3 8   ? 5.27653   1.27234   20.04014  1.000 23.27380 ? 48  DA  E N7    1 
ATOM   2133 C  C5    . DA  D 3 8   ? 5.66371   2.58743   20.24098  1.000 18.32587 ? 48  DA  E C5    1 
ATOM   2134 C  C6    . DA  D 3 8   ? 5.02233   3.81516   19.99108  1.000 18.58791 ? 48  DA  E C6    1 
ATOM   2135 N  N6    . DA  D 3 8   ? 3.79260   3.91243   19.46077  1.000 19.39556 ? 48  DA  E N6    1 
ATOM   2136 N  N1    . DA  D 3 8   ? 5.68705   4.94620   20.31600  1.000 20.44073 ? 48  DA  E N1    1 
ATOM   2137 C  C2    . DA  D 3 8   ? 6.90446   4.84933   20.85808  1.000 22.63346 ? 48  DA  E C2    1 
ATOM   2138 N  N3    . DA  D 3 8   ? 7.61104   3.75301   21.13355  1.000 22.57028 ? 48  DA  E N3    1 
ATOM   2139 C  C4    . DA  D 3 8   ? 6.92101   2.64509   20.80166  1.000 20.30893 ? 48  DA  E C4    1 
HETATM 2140 N  N1    . BRU D 3 9   ? 7.22560   4.14507   24.83655  1.000 26.94893 ? 49  BRU E N1    1 
HETATM 2141 C  C2    . BRU D 3 9   ? 6.51215   5.22493   24.26388  1.000 27.08520 ? 49  BRU E C2    1 
HETATM 2142 N  N3    . BRU D 3 9   ? 5.31868   5.04186   23.68300  1.000 21.73873 ? 49  BRU E N3    1 
HETATM 2143 C  C4    . BRU D 3 9   ? 4.76945   3.82685   23.61526  1.000 22.98104 ? 49  BRU E C4    1 
HETATM 2144 C  C5    . BRU D 3 9   ? 5.49704   2.68419   24.20239  1.000 20.71433 ? 49  BRU E C5    1 
HETATM 2145 C  C6    . BRU D 3 9   ? 6.72187   2.90847   24.80865  1.000 22.67638 ? 49  BRU E C6    1 
HETATM 2146 O  O2    . BRU D 3 9   ? 6.99811   6.37544   24.30850  1.000 27.63788 ? 49  BRU E O2    1 
HETATM 2147 O  O4    . BRU D 3 9   ? 3.65531   3.64224   23.07613  1.000 20.60959 ? 49  BRU E O4    1 
HETATM 2148 BR BR    . BRU D 3 9   ? 4.74282   0.95607   24.11581  1.000 34.82508 ? 49  BRU E BR    1 
HETATM 2149 C  "C1'" . BRU D 3 9   ? 8.53041   4.38899   25.45777  1.000 26.25667 ? 49  BRU E "C1'" 1 
HETATM 2150 C  "C2'" . BRU D 3 9   ? 8.53994   4.02193   26.92870  1.000 30.14926 ? 49  BRU E "C2'" 1 
HETATM 2151 C  "C3'" . BRU D 3 9   ? 9.98486   3.64061   27.19300  1.000 31.71569 ? 49  BRU E "C3'" 1 
HETATM 2152 C  "C4'" . BRU D 3 9   ? 10.52115  3.20980   25.83586  1.000 33.98756 ? 49  BRU E "C4'" 1 
HETATM 2153 O  "O3'" . BRU D 3 9   ? 10.75164  4.78620   27.56606  1.000 33.84668 ? 49  BRU E "O3'" 1 
HETATM 2154 O  "O4'" . BRU D 3 9   ? 9.53107   3.56171   24.86409  1.000 28.58003 ? 49  BRU E "O4'" 1 
HETATM 2155 C  "C5'" . BRU D 3 9   ? 10.80495  1.71426   25.76936  1.000 38.04882 ? 49  BRU E "C5'" 1 
HETATM 2156 O  "O5'" . BRU D 3 9   ? 9.58348   1.00272   25.94635  1.000 38.69470 ? 49  BRU E "O5'" 1 
HETATM 2157 P  P     . BRU D 3 9   ? 9.51771   -0.59635  25.74012  1.000 36.24056 ? 49  BRU E P     1 
HETATM 2158 O  OP1   . BRU D 3 9   ? 10.53028  -1.21166  26.67037  1.000 40.36761 ? 49  BRU E OP1   1 
HETATM 2159 O  OP2   . BRU D 3 9   ? 8.06191   -0.99213  25.82708  1.000 35.71187 ? 49  BRU E OP2   1 
ATOM   2160 P  P     . DA  D 3 10  ? 10.40274  5.65250   28.87746  1.000 41.61326 ? 50  DA  E P     1 
ATOM   2161 O  OP1   . DA  D 3 10  ? 11.68966  6.22194   29.32950  1.000 46.49924 ? 50  DA  E OP1   1 
ATOM   2162 O  OP2   . DA  D 3 10  ? 9.59106   4.86346   29.83202  1.000 43.09673 ? 50  DA  E OP2   1 
ATOM   2163 O  "O5'" . DA  D 3 10  ? 9.50594   6.84633   28.31090  1.000 39.67796 ? 50  DA  E "O5'" 1 
ATOM   2164 C  "C5'" . DA  D 3 10  ? 10.01202  7.66911   27.26363  1.000 38.29688 ? 50  DA  E "C5'" 1 
ATOM   2165 C  "C4'" . DA  D 3 10  ? 9.22454   8.96929   27.12468  1.000 32.84813 ? 50  DA  E "C4'" 1 
ATOM   2166 O  "O4'" . DA  D 3 10  ? 7.99213   8.73756   26.39995  1.000 33.25766 ? 50  DA  E "O4'" 1 
ATOM   2167 C  "C3'" . DA  D 3 10  ? 8.82688   9.66790   28.41809  1.000 34.67455 ? 50  DA  E "C3'" 1 
ATOM   2168 O  "O3'" . DA  D 3 10  ? 8.89622   11.07560  28.20658  1.000 37.72627 ? 50  DA  E "O3'" 1 
ATOM   2169 C  "C2'" . DA  D 3 10  ? 7.38487   9.18541   28.64970  1.000 30.22811 ? 50  DA  E "C2'" 1 
ATOM   2170 C  "C1'" . DA  D 3 10  ? 6.86535   8.99299   27.22696  1.000 32.23719 ? 50  DA  E "C1'" 1 
ATOM   2171 N  N9    . DA  D 3 10  ? 5.95086   7.86304   27.05788  1.000 31.47967 ? 50  DA  E N9    1 
ATOM   2172 C  C8    . DA  D 3 10  ? 6.19025   6.55598   27.38393  1.000 28.44453 ? 50  DA  E C8    1 
ATOM   2173 N  N7    . DA  D 3 10  ? 5.20733   5.74277   27.07833  1.000 27.79665 ? 50  DA  E N7    1 
ATOM   2174 C  C5    . DA  D 3 10  ? 4.26081   6.56946   26.49488  1.000 24.12023 ? 50  DA  E C5    1 
ATOM   2175 C  C6    . DA  D 3 10  ? 2.98068   6.32030   25.95536  1.000 21.86918 ? 50  DA  E C6    1 
ATOM   2176 N  N6    . DA  D 3 10  ? 2.42062   5.10936   25.90995  1.000 21.68774 ? 50  DA  E N6    1 
ATOM   2177 N  N1    . DA  D 3 10  ? 2.29702   7.36644   25.45590  1.000 24.14257 ? 50  DA  E N1    1 
ATOM   2178 C  C2    . DA  D 3 10  ? 2.84671   8.58021   25.50841  1.000 22.30264 ? 50  DA  E C2    1 
ATOM   2179 N  N3    . DA  D 3 10  ? 4.04339   8.94370   25.98463  1.000 25.76243 ? 50  DA  E N3    1 
ATOM   2180 C  C4    . DA  D 3 10  ? 4.70438   7.88052   26.47135  1.000 27.45378 ? 50  DA  E C4    1 
ATOM   2181 P  P     . DA  D 3 11  ? 8.46526   12.12002  29.34774  1.000 40.99894 ? 51  DA  E P     1 
ATOM   2182 O  OP1   . DA  D 3 11  ? 9.26502   13.34538  29.13495  1.000 42.75040 ? 51  DA  E OP1   1 
ATOM   2183 O  OP2   . DA  D 3 11  ? 8.48224   11.45455  30.67109  1.000 49.30927 ? 51  DA  E OP2   1 
ATOM   2184 O  "O5'" . DA  D 3 11  ? 6.95315   12.45612  28.98124  1.000 39.33358 ? 51  DA  E "O5'" 1 
ATOM   2185 C  "C5'" . DA  D 3 11  ? 6.62756   12.87703  27.67336  1.000 33.52698 ? 51  DA  E "C5'" 1 
ATOM   2186 C  "C4'" . DA  D 3 11  ? 5.15595   13.21530  27.57097  1.000 30.61533 ? 51  DA  E "C4'" 1 
ATOM   2187 O  "O4'" . DA  D 3 11  ? 4.39015   11.99696  27.39913  1.000 31.08072 ? 51  DA  E "O4'" 1 
ATOM   2188 C  "C3'" . DA  D 3 11  ? 4.56491   13.91803  28.79514  1.000 37.16092 ? 51  DA  E "C3'" 1 
ATOM   2189 O  "O3'" . DA  D 3 11  ? 3.68190   14.94028  28.36074  1.000 33.41610 ? 51  DA  E "O3'" 1 
ATOM   2190 C  "C2'" . DA  D 3 11  ? 3.82068   12.79124  29.52074  1.000 27.98187 ? 51  DA  E "C2'" 1 
ATOM   2191 C  "C1'" . DA  D 3 11  ? 3.34705   11.95462  28.35127  1.000 28.34976 ? 51  DA  E "C1'" 1 
ATOM   2192 N  N9    . DA  D 3 11  ? 3.08776   10.55544  28.67427  1.000 27.62966 ? 51  DA  E N9    1 
ATOM   2193 C  C8    . DA  D 3 11  ? 3.89633   9.69433   29.36377  1.000 25.55964 ? 51  DA  E C8    1 
ATOM   2194 N  N7    . DA  D 3 11  ? 3.39854   8.48407   29.48222  1.000 25.76481 ? 51  DA  E N7    1 
ATOM   2195 C  C5    . DA  D 3 11  ? 2.18941   8.55846   28.81148  1.000 26.48574 ? 51  DA  E C5    1 
ATOM   2196 C  C6    . DA  D 3 11  ? 1.17374   7.61042   28.55854  1.000 25.07197 ? 51  DA  E C6    1 
ATOM   2197 N  N6    . DA  D 3 11  ? 1.22039   6.33947   28.98101  1.000 25.11808 ? 51  DA  E N6    1 
ATOM   2198 N  N1    . DA  D 3 11  ? 0.09953   8.02090   27.85322  1.000 25.93117 ? 51  DA  E N1    1 
ATOM   2199 C  C2    . DA  D 3 11  ? 0.04701   9.28840   27.43198  1.000 26.43864 ? 51  DA  E C2    1 
ATOM   2200 N  N3    . DA  D 3 11  ? 0.93643   10.26204  27.60101  1.000 29.61745 ? 51  DA  E N3    1 
ATOM   2201 C  C4    . DA  D 3 11  ? 1.98412   9.83372   28.31900  1.000 24.94294 ? 51  DA  E C4    1 
ATOM   2202 P  P     . DT  D 3 12  ? 2.99529   15.94114  29.41078  1.000 38.08503 ? 52  DT  E P     1 
ATOM   2203 O  OP1   . DT  D 3 12  ? 2.94625   17.26606  28.75817  1.000 41.27876 ? 52  DT  E OP1   1 
ATOM   2204 O  OP2   . DT  D 3 12  ? 3.63928   15.79059  30.73427  1.000 37.23540 ? 52  DT  E OP2   1 
ATOM   2205 O  "O5'" . DT  D 3 12  ? 1.49903   15.40076  29.50926  1.000 35.23863 ? 52  DT  E "O5'" 1 
ATOM   2206 C  "C5'" . DT  D 3 12  ? 0.74898   15.22362  28.32238  1.000 30.31184 ? 52  DT  E "C5'" 1 
ATOM   2207 C  "C4'" . DT  D 3 12  ? -0.57065  14.54781  28.61847  1.000 39.09338 ? 52  DT  E "C4'" 1 
ATOM   2208 O  "O4'" . DT  D 3 12  ? -0.35288  13.13515  28.84939  1.000 30.96986 ? 52  DT  E "O4'" 1 
ATOM   2209 C  "C3'" . DT  D 3 12  ? -1.29927  15.07322  29.86195  1.000 30.39563 ? 52  DT  E "C3'" 1 
ATOM   2210 O  "O3'" . DT  D 3 12  ? -2.62840  15.42970  29.51950  1.000 47.39480 ? 52  DT  E "O3'" 1 
ATOM   2211 C  "C2'" . DT  D 3 12  ? -1.26838  13.88693  30.83611  1.000 36.42903 ? 52  DT  E "C2'" 1 
ATOM   2212 C  "C1'" . DT  D 3 12  ? -1.22843  12.72065  29.86899  1.000 31.59020 ? 52  DT  E "C1'" 1 
ATOM   2213 N  N1    . DT  D 3 12  ? -0.70934  11.45398  30.44823  1.000 32.97318 ? 52  DT  E N1    1 
ATOM   2214 C  C2    . DT  D 3 12  ? -1.44414  10.30323  30.29275  1.000 31.71680 ? 52  DT  E C2    1 
ATOM   2215 O  O2    . DT  D 3 12  ? -2.51644  10.26730  29.71409  1.000 29.81068 ? 52  DT  E O2    1 
ATOM   2216 N  N3    . DT  D 3 12  ? -0.88108  9.18693   30.84140  1.000 29.12250 ? 52  DT  E N3    1 
ATOM   2217 C  C4    . DT  D 3 12  ? 0.31443   9.10202   31.52400  1.000 33.70857 ? 52  DT  E C4    1 
ATOM   2218 O  O4    . DT  D 3 12  ? 0.73145   8.04247   31.97836  1.000 34.03651 ? 52  DT  E O4    1 
ATOM   2219 C  C5    . DT  D 3 12  ? 1.04261   10.34480  31.65686  1.000 34.29792 ? 52  DT  E C5    1 
ATOM   2220 C  C7    . DT  D 3 12  ? 2.35564   10.37743  32.38452  1.000 30.51550 ? 52  DT  E C7    1 
ATOM   2221 C  C6    . DT  D 3 12  ? 0.50267   11.45096  31.11601  1.000 32.19120 ? 52  DT  E C6    1 
ATOM   2222 O  "O5'" . DA  E 2 1   ? -13.70992 -14.78655 26.58238  1.000 42.06498 ? 20  DA  C "O5'" 1 
ATOM   2223 C  "C5'" . DA  E 2 1   ? -12.80400 -14.89648 27.67664  1.000 44.45855 ? 20  DA  C "C5'" 1 
ATOM   2224 C  "C4'" . DA  E 2 1   ? -12.51872 -16.35439 27.99708  1.000 43.41967 ? 20  DA  C "C4'" 1 
ATOM   2225 O  "O4'" . DA  E 2 1   ? -13.71741 -16.97013 28.52456  1.000 44.16069 ? 20  DA  C "O4'" 1 
ATOM   2226 C  "C3'" . DA  E 2 1   ? -12.09963 -17.20172 26.80510  1.000 39.74072 ? 20  DA  C "C3'" 1 
ATOM   2227 O  "O3'" . DA  E 2 1   ? -10.67894 -17.22821 26.72216  1.000 39.72649 ? 20  DA  C "O3'" 1 
ATOM   2228 C  "C2'" . DA  E 2 1   ? -12.65635 -18.58376 27.14582  1.000 40.27910 ? 20  DA  C "C2'" 1 
ATOM   2229 C  "C1'" . DA  E 2 1   ? -13.88257 -18.26939 27.99426  1.000 41.63305 ? 20  DA  C "C1'" 1 
ATOM   2230 N  N9    . DA  E 2 1   ? -15.14029 -18.31218 27.25451  1.000 41.38510 ? 20  DA  C N9    1 
ATOM   2231 C  C8    . DA  E 2 1   ? -15.91396 -17.24856 26.88268  1.000 40.84598 ? 20  DA  C C8    1 
ATOM   2232 N  N7    . DA  E 2 1   ? -17.00597 -17.58681 26.23890  1.000 39.80590 ? 20  DA  C N7    1 
ATOM   2233 C  C5    . DA  E 2 1   ? -16.93803 -18.96690 26.17391  1.000 38.59793 ? 20  DA  C C5    1 
ATOM   2234 C  C6    . DA  E 2 1   ? -17.79531 -19.93241 25.61188  1.000 38.34825 ? 20  DA  C C6    1 
ATOM   2235 N  N6    . DA  E 2 1   ? -18.93373 -19.62496 24.98240  1.000 42.11763 ? 20  DA  C N6    1 
ATOM   2236 N  N1    . DA  E 2 1   ? -17.43474 -21.22892 25.72073  1.000 37.01164 ? 20  DA  C N1    1 
ATOM   2237 C  C2    . DA  E 2 1   ? -16.29387 -21.53174 26.35570  1.000 42.68780 ? 20  DA  C C2    1 
ATOM   2238 N  N3    . DA  E 2 1   ? -15.40927 -20.71270 26.92586  1.000 39.50066 ? 20  DA  C N3    1 
ATOM   2239 C  C4    . DA  E 2 1   ? -15.79436 -19.43217 26.79644  1.000 42.78163 ? 20  DA  C C4    1 
HETATM 2240 N  N1    . BRU E 2 2   ? -13.14788 -20.97334 23.38530  1.000 34.78936 ? 21  BRU C N1    1 
HETATM 2241 C  C2    . BRU E 2 2   ? -14.27629 -21.68764 22.92812  1.000 37.91664 ? 21  BRU C C2    1 
HETATM 2242 N  N3    . BRU E 2 2   ? -15.41904 -21.05860 22.62496  1.000 32.54980 ? 21  BRU C N3    1 
HETATM 2243 C  C4    . BRU E 2 2   ? -15.52821 -19.73299 22.75299  1.000 33.49138 ? 21  BRU C C4    1 
HETATM 2244 C  C5    . BRU E 2 2   ? -14.36242 -18.95256 23.23889  1.000 31.72990 ? 21  BRU C C5    1 
HETATM 2245 C  C6    . BRU E 2 2   ? -13.19414 -19.64247 23.54793  1.000 32.21217 ? 21  BRU C C6    1 
HETATM 2246 O  O2    . BRU E 2 2   ? -14.19763 -22.93014 22.79334  1.000 32.54054 ? 21  BRU C O2    1 
HETATM 2247 O  O4    . BRU E 2 2   ? -16.60665 -19.16617 22.46728  1.000 31.90021 ? 21  BRU C O4    1 
HETATM 2248 BR BR    . BRU E 2 2   ? -14.46626 -17.06635 23.43372  1.000 38.91550 ? 21  BRU C BR    1 
HETATM 2249 C  "C1'" . BRU E 2 2   ? -11.94134 -21.73206 23.72587  1.000 32.27459 ? 21  BRU C "C1'" 1 
HETATM 2250 C  "C2'" . BRU E 2 2   ? -10.71663 -21.41691 22.88192  1.000 30.50497 ? 21  BRU C "C2'" 1 
HETATM 2251 C  "C3'" . BRU E 2 2   ? -9.58376  -21.63692 23.86845  1.000 32.95795 ? 21  BRU C "C3'" 1 
HETATM 2252 C  "C4'" . BRU E 2 2   ? -10.16658 -21.38545 25.24351  1.000 39.88473 ? 21  BRU C "C4'" 1 
HETATM 2253 O  "O3'" . BRU E 2 2   ? -9.23812  -23.01505 23.90985  1.000 41.59506 ? 21  BRU C "O3'" 1 
HETATM 2254 O  "O4'" . BRU E 2 2   ? -11.58756 -21.44560 25.08688  1.000 36.13222 ? 21  BRU C "O4'" 1 
HETATM 2255 C  "C5'" . BRU E 2 2   ? -9.70304  -20.04811 25.80685  1.000 40.41241 ? 21  BRU C "C5'" 1 
HETATM 2256 O  "O5'" . BRU E 2 2   ? -10.19538 -19.00184 24.97028  1.000 38.93375 ? 21  BRU C "O5'" 1 
HETATM 2257 P  P     . BRU E 2 2   ? -9.94281  -17.44708 25.30820  1.000 37.87580 ? 21  BRU C P     1 
HETATM 2258 O  OP1   . BRU E 2 2   ? -8.46265  -17.23535 25.52840  1.000 38.13914 ? 21  BRU C OP1   1 
HETATM 2259 O  OP2   . BRU E 2 2   ? -10.66525 -16.63924 24.25553  1.000 35.80307 ? 21  BRU C OP2   1 
ATOM   2260 P  P     . DT  E 2 3   ? -8.31210  -23.66076 22.77405  1.000 34.43576 ? 22  DT  C P     1 
ATOM   2261 O  OP1   . DT  E 2 3   ? -7.68421  -24.84195 23.40874  1.000 35.89016 ? 22  DT  C OP1   1 
ATOM   2262 O  OP2   . DT  E 2 3   ? -7.45754  -22.60871 22.17671  1.000 33.72908 ? 22  DT  C OP2   1 
ATOM   2263 O  "O5'" . DT  E 2 3   ? -9.35725  -24.18688 21.70016  1.000 30.65583 ? 22  DT  C "O5'" 1 
ATOM   2264 C  "C5'" . DT  E 2 3   ? -10.08105 -25.36049 21.96538  1.000 32.81289 ? 22  DT  C "C5'" 1 
ATOM   2265 C  "C4'" . DT  E 2 3   ? -11.12151 -25.59475 20.89496  1.000 33.46467 ? 22  DT  C "C4'" 1 
ATOM   2266 O  "O4'" . DT  E 2 3   ? -12.11283 -24.55414 20.94126  1.000 29.59770 ? 22  DT  C "O4'" 1 
ATOM   2267 C  "C3'" . DT  E 2 3   ? -10.59173 -25.60634 19.45553  1.000 28.29000 ? 22  DT  C "C3'" 1 
ATOM   2268 O  "O3'" . DT  E 2 3   ? -10.67866 -26.94081 18.95550  1.000 26.30947 ? 22  DT  C "O3'" 1 
ATOM   2269 C  "C2'" . DT  E 2 3   ? -11.51938 -24.62069 18.70690  1.000 27.98148 ? 22  DT  C "C2'" 1 
ATOM   2270 C  "C1'" . DT  E 2 3   ? -12.68445 -24.46551 19.67321  1.000 31.11797 ? 22  DT  C "C1'" 1 
ATOM   2271 N  N1    . DT  E 2 3   ? -13.39217 -23.16496 19.56703  1.000 26.76541 ? 22  DT  C N1    1 
ATOM   2272 C  C2    . DT  E 2 3   ? -14.73176 -23.15885 19.27557  1.000 25.81067 ? 22  DT  C C2    1 
ATOM   2273 O  O2    . DT  E 2 3   ? -15.37357 -24.17131 19.09288  1.000 31.99923 ? 22  DT  C O2    1 
ATOM   2274 N  N3    . DT  E 2 3   ? -15.29872 -21.91851 19.20477  1.000 25.86078 ? 22  DT  C N3    1 
ATOM   2275 C  C4    . DT  E 2 3   ? -14.67213 -20.70805 19.39844  1.000 26.47608 ? 22  DT  C C4    1 
ATOM   2276 O  O4    . DT  E 2 3   ? -15.26971 -19.64350 19.31763  1.000 28.52434 ? 22  DT  C O4    1 
ATOM   2277 C  C5    . DT  E 2 3   ? -13.26347 -20.78469 19.70578  1.000 27.94483 ? 22  DT  C C5    1 
ATOM   2278 C  C7    . DT  E 2 3   ? -12.47496 -19.53584 19.93357  1.000 27.10238 ? 22  DT  C C7    1 
ATOM   2279 C  C6    . DT  E 2 3   ? -12.69883 -21.99659 19.77735  1.000 25.72903 ? 22  DT  C C6    1 
ATOM   2280 P  P     . DA  E 2 4   ? -10.62246 -27.28865 17.38922  1.000 28.57662 ? 23  DA  C P     1 
ATOM   2281 O  OP1   . DA  E 2 4   ? -10.21719 -28.71464 17.34169  1.000 29.19823 ? 23  DA  C OP1   1 
ATOM   2282 O  OP2   . DA  E 2 4   ? -9.83861  -26.28302 16.64245  1.000 28.96220 ? 23  DA  C OP2   1 
ATOM   2283 O  "O5'" . DA  E 2 4   ? -12.14766 -27.25198 16.94243  1.000 28.90923 ? 23  DA  C "O5'" 1 
ATOM   2284 C  "C5'" . DA  E 2 4   ? -13.10001 -28.03385 17.64997  1.000 30.06111 ? 23  DA  C "C5'" 1 
ATOM   2285 C  "C4'" . DA  E 2 4   ? -14.42771 -28.07814 16.91591  1.000 31.01903 ? 23  DA  C "C4'" 1 
ATOM   2286 O  "O4'" . DA  E 2 4   ? -15.06978 -26.78592 17.00265  1.000 28.41399 ? 23  DA  C "O4'" 1 
ATOM   2287 C  "C3'" . DA  E 2 4   ? -14.34923 -28.41790 15.43106  1.000 28.27651 ? 23  DA  C "C3'" 1 
ATOM   2288 O  "O3'" . DA  E 2 4   ? -15.44026 -29.26237 15.08161  1.000 35.48772 ? 23  DA  C "O3'" 1 
ATOM   2289 C  "C2'" . DA  E 2 4   ? -14.45359 -27.05039 14.75256  1.000 26.71040 ? 23  DA  C "C2'" 1 
ATOM   2290 C  "C1'" . DA  E 2 4   ? -15.35866 -26.29334 15.71679  1.000 26.12288 ? 23  DA  C "C1'" 1 
ATOM   2291 N  N9    . DA  E 2 4   ? -15.12479 -24.85031 15.74530  1.000 27.02465 ? 23  DA  C N9    1 
ATOM   2292 C  C8    . DA  E 2 4   ? -13.94349 -24.21131 16.00963  1.000 23.52120 ? 23  DA  C C8    1 
ATOM   2293 N  N7    . DA  E 2 4   ? -14.03422 -22.90141 15.99197  1.000 23.03934 ? 23  DA  C N7    1 
ATOM   2294 C  C5    . DA  E 2 4   ? -15.36721 -22.66660 15.70579  1.000 23.29724 ? 23  DA  C C5    1 
ATOM   2295 C  C6    . DA  E 2 4   ? -16.10804 -21.48241 15.55022  1.000 23.27240 ? 23  DA  C C6    1 
ATOM   2296 N  N6    . DA  E 2 4   ? -15.57906 -20.26857 15.66995  1.000 22.94176 ? 23  DA  C N6    1 
ATOM   2297 N  N1    . DA  E 2 4   ? -17.42338 -21.59634 15.26731  1.000 24.25497 ? 23  DA  C N1    1 
ATOM   2298 C  C2    . DA  E 2 4   ? -17.95708 -22.81690 15.15021  1.000 29.43880 ? 23  DA  C C2    1 
ATOM   2299 N  N3    . DA  E 2 4   ? -17.36319 -24.00326 15.28020  1.000 28.45429 ? 23  DA  C N3    1 
ATOM   2300 C  C4    . DA  E 2 4   ? -16.05568 -23.85595 15.55680  1.000 24.30866 ? 23  DA  C C4    1 
HETATM 2301 N  N1    . BRU E 2 5   ? -16.79557 -24.17253 12.00449  1.000 30.03534 ? 24  BRU C N1    1 
HETATM 2302 C  C2    . BRU E 2 5   ? -17.20086 -22.82105 12.06550  1.000 29.56712 ? 24  BRU C C2    1 
HETATM 2303 N  N3    . BRU E 2 5   ? -16.32586 -21.83337 12.26319  1.000 27.05782 ? 24  BRU C N3    1 
HETATM 2304 C  C4    . BRU E 2 5   ? -15.02655 -22.11071 12.37821  1.000 24.58548 ? 24  BRU C C4    1 
HETATM 2305 C  C5    . BRU E 2 5   ? -14.58609 -23.51794 12.30327  1.000 22.38015 ? 24  BRU C C5    1 
HETATM 2306 C  C6    . BRU E 2 5   ? -15.51488 -24.51794 12.11903  1.000 24.54872 ? 24  BRU C C6    1 
HETATM 2307 O  O2    . BRU E 2 5   ? -18.41390 -22.54384 11.97454  1.000 29.19106 ? 24  BRU C O2    1 
HETATM 2308 O  O4    . BRU E 2 5   ? -14.18339 -21.20830 12.55271  1.000 25.03529 ? 24  BRU C O4    1 
HETATM 2309 BR BR    . BRU E 2 5   ? -12.76236 -23.92659 12.46927  1.000 31.42574 ? 24  BRU C BR    1 
HETATM 2310 C  "C1'" . BRU E 2 5   ? -17.79756 -25.21181 11.82383  1.000 29.76554 ? 24  BRU C "C1'" 1 
HETATM 2311 C  "C2'" . BRU E 2 5   ? -17.59435 -26.02516 10.55695  1.000 26.70511 ? 24  BRU C "C2'" 1 
HETATM 2312 C  "C3'" . BRU E 2 5   ? -17.97691 -27.44372 10.94813  1.000 30.17284 ? 24  BRU C "C3'" 1 
HETATM 2313 C  "C4'" . BRU E 2 5   ? -18.23478 -27.38033 12.44015  1.000 37.68661 ? 24  BRU C "C4'" 1 
HETATM 2314 O  "O3'" . BRU E 2 5   ? -19.19881 -27.82754 10.32028  1.000 37.98868 ? 24  BRU C "O3'" 1 
HETATM 2315 O  "O4'" . BRU E 2 5   ? -17.65610 -26.15257 12.88222  1.000 33.24032 ? 24  BRU C "O4'" 1 
HETATM 2316 C  "C5'" . BRU E 2 5   ? -17.67355 -28.57887 13.18855  1.000 33.99574 ? 24  BRU C "C5'" 1 
HETATM 2317 O  "O5'" . BRU E 2 5   ? -16.34725 -28.86053 12.75699  1.000 29.76595 ? 24  BRU C "O5'" 1 
HETATM 2318 P  P     . BRU E 2 5   ? -15.52107 -29.93018 13.62300  1.000 35.81307 ? 24  BRU C P     1 
HETATM 2319 O  OP1   . BRU E 2 5   ? -16.37470 -31.16826 13.74606  1.000 34.87542 ? 24  BRU C OP1   1 
HETATM 2320 O  OP2   . BRU E 2 5   ? -14.12324 -30.03315 13.07111  1.000 32.77885 ? 24  BRU C OP2   1 
ATOM   2321 P  P     . DA  E 2 6   ? -19.25648 -28.09139 8.73866   1.000 44.96600 ? 25  DA  C P     1 
ATOM   2322 O  OP1   . DA  E 2 6   ? -20.37750 -29.02442 8.50817   1.000 41.77593 ? 25  DA  C OP1   1 
ATOM   2323 O  OP2   . DA  E 2 6   ? -17.89175 -28.41604 8.26905   1.000 39.69759 ? 25  DA  C OP2   1 
ATOM   2324 O  "O5'" . DA  E 2 6   ? -19.68831 -26.67779 8.13210   1.000 41.65547 ? 25  DA  C "O5'" 1 
ATOM   2325 C  "C5'" . DA  E 2 6   ? -20.89037 -26.07048 8.56943   1.000 39.76866 ? 25  DA  C "C5'" 1 
ATOM   2326 C  "C4'" . DA  E 2 6   ? -20.95351 -24.62671 8.12428   1.000 32.19240 ? 25  DA  C "C4'" 1 
ATOM   2327 O  "O4'" . DA  E 2 6   ? -19.96999 -23.85268 8.84688   1.000 30.47105 ? 25  DA  C "O4'" 1 
ATOM   2328 C  "C3'" . DA  E 2 6   ? -20.65621 -24.39896 6.63622   1.000 37.95788 ? 25  DA  C "C3'" 1 
ATOM   2329 O  "O3'" . DA  E 2 6   ? -21.79666 -23.84016 5.98998   1.000 40.63327 ? 25  DA  C "O3'" 1 
ATOM   2330 C  "C2'" . DA  E 2 6   ? -19.47008 -23.42357 6.63624   1.000 33.37728 ? 25  DA  C "C2'" 1 
ATOM   2331 C  "C1'" . DA  E 2 6   ? -19.57392 -22.80100 8.01982   1.000 30.76537 ? 25  DA  C "C1'" 1 
ATOM   2332 N  N9    . DA  E 2 6   ? -18.30992 -22.24695 8.50498   1.000 33.64465 ? 25  DA  C N9    1 
ATOM   2333 C  C8    . DA  E 2 6   ? -17.14678 -22.92435 8.75353   1.000 30.85119 ? 25  DA  C C8    1 
ATOM   2334 N  N7    . DA  E 2 6   ? -16.15896 -22.15381 9.15848   1.000 25.52741 ? 25  DA  C N7    1 
ATOM   2335 C  C5    . DA  E 2 6   ? -16.71625 -20.88522 9.18007   1.000 28.16608 ? 25  DA  C C5    1 
ATOM   2336 C  C6    . DA  E 2 6   ? -16.19061 -19.62142 9.52237   1.000 22.62937 ? 25  DA  C C6    1 
ATOM   2337 N  N6    . DA  E 2 6   ? -14.93210 -19.43550 9.93444   1.000 23.86782 ? 25  DA  C N6    1 
ATOM   2338 N  N1    . DA  E 2 6   ? -17.01203 -18.55297 9.42183   1.000 24.21876 ? 25  DA  C N1    1 
ATOM   2339 C  C2    . DA  E 2 6   ? -18.27447 -18.74454 9.00808   1.000 27.05933 ? 25  DA  C C2    1 
ATOM   2340 N  N3    . DA  E 2 6   ? -18.88308 -19.88408 8.66974   1.000 24.60927 ? 25  DA  C N3    1 
ATOM   2341 C  C4    . DA  E 2 6   ? -18.04029 -20.92441 8.77562   1.000 29.84017 ? 25  DA  C C4    1 
ATOM   2342 P  P     . DC  E 2 7   ? -21.80980 -23.64230 4.39462   1.000 39.49202 ? 26  DC  C P     1 
ATOM   2343 O  OP1   . DC  E 2 7   ? -23.22288 -23.63783 3.95985   1.000 44.96863 ? 26  DC  C OP1   1 
ATOM   2344 O  OP2   . DC  E 2 7   ? -20.84884 -24.59962 3.80357   1.000 37.04727 ? 26  DC  C OP2   1 
ATOM   2345 O  "O5'" . DC  E 2 7   ? -21.25292 -22.15757 4.19160   1.000 42.03879 ? 26  DC  C "O5'" 1 
ATOM   2346 C  "C5'" . DC  E 2 7   ? -21.76078 -21.11280 5.00510   1.000 34.73567 ? 26  DC  C "C5'" 1 
ATOM   2347 C  "C4'" . DC  E 2 7   ? -20.87738 -19.87863 4.94061   1.000 32.59872 ? 26  DC  C "C4'" 1 
ATOM   2348 O  "O4'" . DC  E 2 7   ? -19.63437 -20.09734 5.62622   1.000 29.20684 ? 26  DC  C "O4'" 1 
ATOM   2349 C  "C3'" . DC  E 2 7   ? -20.45265 -19.43195 3.54793   1.000 32.19091 ? 26  DC  C "C3'" 1 
ATOM   2350 O  "O3'" . DC  E 2 7   ? -21.40159 -18.50309 3.03828   1.000 40.57697 ? 26  DC  C "O3'" 1 
ATOM   2351 C  "C2'" . DC  E 2 7   ? -19.07356 -18.76629 3.79431   1.000 31.52999 ? 26  DC  C "C2'" 1 
ATOM   2352 C  "C1'" . DC  E 2 7   ? -18.83252 -19.00290 5.29152   1.000 35.56503 ? 26  DC  C "C1'" 1 
ATOM   2353 N  N1    . DC  E 2 7   ? -17.39386 -19.26342 5.66756   1.000 32.40969 ? 26  DC  C N1    1 
ATOM   2354 C  C2    . DC  E 2 7   ? -16.58949 -18.18070 6.02997   1.000 25.68289 ? 26  DC  C C2    1 
ATOM   2355 O  O2    . DC  E 2 7   ? -17.08370 -17.04756 6.03329   1.000 27.26697 ? 26  DC  C O2    1 
ATOM   2356 N  N3    . DC  E 2 7   ? -15.29515 -18.40029 6.37026   1.000 25.61756 ? 26  DC  C N3    1 
ATOM   2357 C  C4    . DC  E 2 7   ? -14.80172 -19.63874 6.35420   1.000 26.20024 ? 26  DC  C C4    1 
ATOM   2358 N  N4    . DC  E 2 7   ? -13.51628 -19.80261 6.69330   1.000 24.60578 ? 26  DC  C N4    1 
ATOM   2359 C  C5    . DC  E 2 7   ? -15.60400 -20.76344 5.98477   1.000 24.57086 ? 26  DC  C C5    1 
ATOM   2360 C  C6    . DC  E 2 7   ? -16.88400 -20.53198 5.64987   1.000 27.69238 ? 26  DC  C C6    1 
ATOM   2361 P  P     . DA  E 2 8   ? -21.49046 -18.18985 1.46460   1.000 51.19747 ? 27  DA  C P     1 
ATOM   2362 O  OP1   . DA  E 2 8   ? -22.79575 -17.53070 1.23825   1.000 53.71900 ? 27  DA  C OP1   1 
ATOM   2363 O  OP2   . DA  E 2 8   ? -21.12546 -19.40423 0.70658   1.000 45.09498 ? 27  DA  C OP2   1 
ATOM   2364 O  "O5'" . DA  E 2 8   ? -20.35631 -17.09561 1.22922   1.000 42.73259 ? 27  DA  C "O5'" 1 
ATOM   2365 C  "C5'" . DA  E 2 8   ? -20.42109 -15.86170 1.92446   1.000 39.46522 ? 27  DA  C "C5'" 1 
ATOM   2366 C  "C4'" . DA  E 2 8   ? -19.28595 -14.94539 1.50719   1.000 41.41015 ? 27  DA  C "C4'" 1 
ATOM   2367 O  "O4'" . DA  E 2 8   ? -18.10428 -15.24420 2.29250   1.000 39.52107 ? 27  DA  C "O4'" 1 
ATOM   2368 C  "C3'" . DA  E 2 8   ? -18.85837 -15.05398 0.04221   1.000 46.86721 ? 27  DA  C "C3'" 1 
ATOM   2369 O  "O3'" . DA  E 2 8   ? -18.62281 -13.75548 -0.46433  1.000 51.90341 ? 27  DA  C "O3'" 1 
ATOM   2370 C  "C2'" . DA  E 2 8   ? -17.56198 -15.86015 0.12103   1.000 36.85094 ? 27  DA  C "C2'" 1 
ATOM   2371 C  "C1'" . DA  E 2 8   ? -16.99877 -15.35533 1.43520   1.000 33.78153 ? 27  DA  C "C1'" 1 
ATOM   2372 N  N9    . DA  E 2 8   ? -16.02876 -16.24840 2.05061   1.000 34.94664 ? 27  DA  C N9    1 
ATOM   2373 C  C8    . DA  E 2 8   ? -16.09307 -17.61377 2.14151   1.000 29.00053 ? 27  DA  C C8    1 
ATOM   2374 N  N7    . DA  E 2 8   ? -15.06446 -18.14888 2.75860   1.000 28.32081 ? 27  DA  C N7    1 
ATOM   2375 C  C5    . DA  E 2 8   ? -14.27642 -17.05714 3.09400   1.000 30.76566 ? 27  DA  C C5    1 
ATOM   2376 C  C6    . DA  E 2 8   ? -13.04069 -16.94326 3.76091   1.000 27.03224 ? 27  DA  C C6    1 
ATOM   2377 N  N6    . DA  E 2 8   ? -12.36055 -17.99101 4.23696   1.000 22.41126 ? 27  DA  C N6    1 
ATOM   2378 N  N1    . DA  E 2 8   ? -12.53048 -15.70547 3.92278   1.000 25.33561 ? 27  DA  C N1    1 
ATOM   2379 C  C2    . DA  E 2 8   ? -13.21038 -14.65752 3.44247   1.000 30.23693 ? 27  DA  C C2    1 
ATOM   2380 N  N3    . DA  E 2 8   ? -14.37932 -14.64019 2.80774   1.000 29.93782 ? 27  DA  C N3    1 
ATOM   2381 C  C4    . DA  E 2 8   ? -14.86001 -15.88219 2.66300   1.000 31.02847 ? 27  DA  C C4    1 
ATOM   2382 P  P     . DA  E 2 9   ? -18.79641 -13.43405 -2.02669  1.000 61.40927 ? 28  DA  C P     1 
ATOM   2383 O  OP1   . DA  E 2 9   ? -20.12596 -12.80978 -2.19604  1.000 68.95582 ? 28  DA  C OP1   1 
ATOM   2384 O  OP2   . DA  E 2 9   ? -18.44230 -14.63801 -2.81176  1.000 60.55726 ? 28  DA  C OP2   1 
ATOM   2385 O  "O5'" . DA  E 2 9   ? -17.69834 -12.30709 -2.28265  1.000 58.47464 ? 28  DA  C "O5'" 1 
ATOM   2386 C  "C5'" . DA  E 2 9   ? -17.28887 -11.48577 -1.20511  1.000 47.24754 ? 28  DA  C "C5'" 1 
ATOM   2387 C  "C4'" . DA  E 2 9   ? -15.78741 -11.26641 -1.21671  1.000 40.14443 ? 28  DA  C "C4'" 1 
ATOM   2388 O  "O4'" . DA  E 2 9   ? -15.12170 -12.33265 -0.49029  1.000 46.80528 ? 28  DA  C "O4'" 1 
ATOM   2389 C  "C3'" . DA  E 2 9   ? -15.12960 -11.22510 -2.59948  1.000 48.72845 ? 28  DA  C "C3'" 1 
ATOM   2390 O  "O3'" . DA  E 2 9   ? -14.19078 -10.17354 -2.61279  1.000 56.69997 ? 28  DA  C "O3'" 1 
ATOM   2391 C  "C2'" . DA  E 2 9   ? -14.43123 -12.58228 -2.67711  1.000 45.14415 ? 28  DA  C "C2'" 1 
ATOM   2392 C  "C1'" . DA  E 2 9   ? -14.00367 -12.73877 -1.23371  1.000 38.66192 ? 28  DA  C "C1'" 1 
ATOM   2393 N  N9    . DA  E 2 9   ? -13.64137 -14.10053 -0.85113  1.000 32.16622 ? 28  DA  C N9    1 
ATOM   2394 C  C8    . DA  E 2 9   ? -14.29745 -15.25583 -1.16814  1.000 33.90581 ? 28  DA  C C8    1 
ATOM   2395 N  N7    . DA  E 2 9   ? -13.72917 -16.33488 -0.68317  1.000 34.03026 ? 28  DA  C N7    1 
ATOM   2396 C  C5    . DA  E 2 9   ? -12.62362 -15.85083 -0.00596  1.000 32.84279 ? 28  DA  C C5    1 
ATOM   2397 C  C6    . DA  E 2 9   ? -11.60569 -16.48702 0.72741   1.000 30.01555 ? 28  DA  C C6    1 
ATOM   2398 N  N6    . DA  E 2 9   ? -11.54523 -17.80975 0.90540   1.000 32.83262 ? 28  DA  C N6    1 
ATOM   2399 N  N1    . DA  E 2 9   ? -10.64655 -15.70809 1.27444   1.000 32.19843 ? 28  DA  C N1    1 
ATOM   2400 C  C2    . DA  E 2 9   ? -10.70813 -14.38359 1.09533   1.000 27.37983 ? 28  DA  C C2    1 
ATOM   2401 N  N3    . DA  E 2 9   ? -11.61612 -13.67468 0.42887   1.000 29.74349 ? 28  DA  C N3    1 
ATOM   2402 C  C4    . DA  E 2 9   ? -12.55330 -14.47684 -0.10382  1.000 28.04945 ? 28  DA  C C4    1 
ATOM   2403 P  P     . DA  E 2 10  ? -13.69942 -9.50411  -3.98580  1.000 52.98625 ? 29  DA  C P     1 
ATOM   2404 O  OP1   . DA  E 2 10  ? -14.54307 -8.30740  -4.20439  1.000 57.20648 ? 29  DA  C OP1   1 
ATOM   2405 O  OP2   . DA  E 2 10  ? -13.60046 -10.53763 -5.04141  1.000 56.14174 ? 29  DA  C OP2   1 
ATOM   2406 O  "O5'" . DA  E 2 10  ? -12.23068 -8.99838  -3.61486  1.000 58.87745 ? 29  DA  C "O5'" 1 
ATOM   2407 C  "C5'" . DA  E 2 10  ? -11.91703 -8.74096  -2.24834  1.000 44.97812 ? 29  DA  C "C5'" 1 
ATOM   2408 C  "C4'" . DA  E 2 10  ? -10.44159 -8.96156  -1.95057  1.000 38.22720 ? 29  DA  C "C4'" 1 
ATOM   2409 O  "O4'" . DA  E 2 10  ? -10.21753 -10.33201 -1.52847  1.000 34.94958 ? 29  DA  C "O4'" 1 
ATOM   2410 C  "C3'" . DA  E 2 10  ? -9.47632  -8.69831  -3.10272  1.000 40.40945 ? 29  DA  C "C3'" 1 
ATOM   2411 O  "O3'" . DA  E 2 10  ? -8.31992  -8.04953  -2.57737  1.000 45.87075 ? 29  DA  C "O3'" 1 
ATOM   2412 C  "C2'" . DA  E 2 10  ? -9.17160  -10.10749 -3.63279  1.000 37.95188 ? 29  DA  C "C2'" 1 
ATOM   2413 C  "C1'" . DA  E 2 10  ? -9.26516  -10.95544 -2.36565  1.000 39.25709 ? 29  DA  C "C1'" 1 
ATOM   2414 N  N9    . DA  E 2 10  ? -9.71089  -12.33351 -2.58297  1.000 34.42928 ? 29  DA  C N9    1 
ATOM   2415 C  C8    . DA  E 2 10  ? -10.77694 -12.75198 -3.33117  1.000 33.92753 ? 29  DA  C C8    1 
ATOM   2416 N  N7    . DA  E 2 10  ? -10.95798 -14.05305 -3.31356  1.000 32.25746 ? 29  DA  C N7    1 
ATOM   2417 C  C5    . DA  E 2 10  ? -9.94806  -14.51868 -2.48707  1.000 30.69651 ? 29  DA  C C5    1 
ATOM   2418 C  C6    . DA  E 2 10  ? -9.58894  -15.81481 -2.05254  1.000 33.46818 ? 29  DA  C C6    1 
ATOM   2419 N  N6    . DA  E 2 10  ? -10.24049 -16.92655 -2.41617  1.000 31.07017 ? 29  DA  C N6    1 
ATOM   2420 N  N1    . DA  E 2 10  ? -8.52666  -15.92502 -1.23057  1.000 30.02868 ? 29  DA  C N1    1 
ATOM   2421 C  C2    . DA  E 2 10  ? -7.87401  -14.81615 -0.86516  1.000 34.16773 ? 29  DA  C C2    1 
ATOM   2422 N  N3    . DA  E 2 10  ? -8.12076  -13.54926 -1.19678  1.000 29.32269 ? 29  DA  C N3    1 
ATOM   2423 C  C4    . DA  E 2 10  ? -9.17790  -13.46953 -2.01974  1.000 31.82696 ? 29  DA  C C4    1 
ATOM   2424 P  P     . DA  E 2 11  ? -7.06401  -7.66899  -3.50329  1.000 45.35637 ? 30  DA  C P     1 
ATOM   2425 O  OP1   . DA  E 2 11  ? -6.47701  -6.45230  -2.90830  1.000 49.04842 ? 30  DA  C OP1   1 
ATOM   2426 O  OP2   . DA  E 2 11  ? -7.44438  -7.68836  -4.93494  1.000 45.64181 ? 30  DA  C OP2   1 
ATOM   2427 O  "O5'" . DA  E 2 11  ? -6.04149  -8.85355  -3.21934  1.000 41.38227 ? 30  DA  C "O5'" 1 
ATOM   2428 C  "C5'" . DA  E 2 11  ? -5.65631  -9.12064  -1.88422  1.000 38.81199 ? 30  DA  C "C5'" 1 
ATOM   2429 C  "C4'" . DA  E 2 11  ? -4.67359  -10.26812 -1.82711  1.000 44.61540 ? 30  DA  C "C4'" 1 
ATOM   2430 O  "O4'" . DA  E 2 11  ? -5.37767  -11.51762 -2.02314  1.000 39.86644 ? 30  DA  C "O4'" 1 
ATOM   2431 C  "C3'" . DA  E 2 11  ? -3.55804  -10.22291 -2.87155  1.000 35.22584 ? 30  DA  C "C3'" 1 
ATOM   2432 O  "O3'" . DA  E 2 11  ? -2.32439  -10.49219 -2.22658  1.000 40.89736 ? 30  DA  C "O3'" 1 
ATOM   2433 C  "C2'" . DA  E 2 11  ? -3.94897  -11.32344 -3.86559  1.000 34.70515 ? 30  DA  C "C2'" 1 
ATOM   2434 C  "C1'" . DA  E 2 11  ? -4.71058  -12.29925 -2.98030  1.000 33.70111 ? 30  DA  C "C1'" 1 
ATOM   2435 N  N9    . DA  E 2 11  ? -5.71820  -13.08744 -3.68804  1.000 35.25527 ? 30  DA  C N9    1 
ATOM   2436 C  C8    . DA  E 2 11  ? -6.68540  -12.62532 -4.53525  1.000 33.89898 ? 30  DA  C C8    1 
ATOM   2437 N  N7    . DA  E 2 11  ? -7.46715  -13.56740 -5.00999  1.000 34.09388 ? 30  DA  C N7    1 
ATOM   2438 C  C5    . DA  E 2 11  ? -6.98650  -14.72597 -4.42208  1.000 33.46001 ? 30  DA  C C5    1 
ATOM   2439 C  C6    . DA  E 2 11  ? -7.38434  -16.07642 -4.51196  1.000 32.86753 ? 30  DA  C C6    1 
ATOM   2440 N  N6    . DA  E 2 11  ? -8.40233  -16.49818 -5.27063  1.000 32.80083 ? 30  DA  C N6    1 
ATOM   2441 N  N1    . DA  E 2 11  ? -6.68793  -16.98200 -3.79442  1.000 32.15566 ? 30  DA  C N1    1 
ATOM   2442 C  C2    . DA  E 2 11  ? -5.66680  -16.56191 -3.04013  1.000 32.66061 ? 30  DA  C C2    1 
ATOM   2443 N  N3    . DA  E 2 11  ? -5.20275  -15.32356 -2.87418  1.000 32.42915 ? 30  DA  C N3    1 
ATOM   2444 C  C4    . DA  E 2 11  ? -5.91144  -14.44688 -3.60179  1.000 33.58015 ? 30  DA  C C4    1 
ATOM   2445 P  P     . DG  E 2 12  ? -0.93346  -10.48756 -3.02704  1.000 44.81184 ? 31  DG  C P     1 
ATOM   2446 O  OP1   . DG  E 2 12  ? 0.06578   -9.90674  -2.10620  1.000 44.06354 ? 31  DG  C OP1   1 
ATOM   2447 O  OP2   . DG  E 2 12  ? -1.09934  -9.90684  -4.38341  1.000 47.78698 ? 31  DG  C OP2   1 
ATOM   2448 O  "O5'" . DG  E 2 12  ? -0.60837  -12.03467 -3.19951  1.000 46.71548 ? 31  DG  C "O5'" 1 
ATOM   2449 C  "C5'" . DG  E 2 12  ? -0.70292  -12.90060 -2.08735  1.000 36.96083 ? 31  DG  C "C5'" 1 
ATOM   2450 C  "C4'" . DG  E 2 12  ? -0.37603  -14.32295 -2.48968  1.000 35.69492 ? 31  DG  C "C4'" 1 
ATOM   2451 O  "O4'" . DG  E 2 12  ? -1.56480  -14.94980 -3.02996  1.000 37.73015 ? 31  DG  C "O4'" 1 
ATOM   2452 C  "C3'" . DG  E 2 12  ? 0.70630   -14.46001 -3.56387  1.000 44.95842 ? 31  DG  C "C3'" 1 
ATOM   2453 O  "O3'" . DG  E 2 12  ? 1.58084   -15.53364 -3.23287  1.000 46.78212 ? 31  DG  C "O3'" 1 
ATOM   2454 C  "C2'" . DG  E 2 12  ? -0.09401  -14.75653 -4.83355  1.000 44.60350 ? 31  DG  C "C2'" 1 
ATOM   2455 C  "C1'" . DG  E 2 12  ? -1.25749  -15.54952 -4.26640  1.000 44.20403 ? 31  DG  C "C1'" 1 
ATOM   2456 N  N9    . DG  E 2 12  ? -2.45808  -15.53338 -5.09760  1.000 37.36075 ? 31  DG  C N9    1 
ATOM   2457 C  C8    . DG  E 2 12  ? -3.07129  -14.44039 -5.65666  1.000 39.44001 ? 31  DG  C C8    1 
ATOM   2458 N  N7    . DG  E 2 12  ? -4.13976  -14.74124 -6.34065  1.000 35.67438 ? 31  DG  C N7    1 
ATOM   2459 C  C5    . DG  E 2 12  ? -4.24095  -16.11823 -6.22275  1.000 34.56829 ? 31  DG  C C5    1 
ATOM   2460 C  C6    . DG  E 2 12  ? -5.20072  -17.00828 -6.74931  1.000 35.45889 ? 31  DG  C C6    1 
ATOM   2461 O  O6    . DG  E 2 12  ? -6.18139  -16.74550 -7.45604  1.000 41.67787 ? 31  DG  C O6    1 
ATOM   2462 N  N1    . DG  E 2 12  ? -4.93370  -18.32687 -6.38780  1.000 37.75163 ? 31  DG  C N1    1 
ATOM   2463 C  C2    . DG  E 2 12  ? -3.87166  -18.73047 -5.61418  1.000 35.71853 ? 31  DG  C C2    1 
ATOM   2464 N  N2    . DG  E 2 12  ? -3.77409  -20.04622 -5.37108  1.000 34.38669 ? 31  DG  C N2    1 
ATOM   2465 N  N3    . DG  E 2 12  ? -2.96689  -17.90463 -5.11566  1.000 37.48204 ? 31  DG  C N3    1 
ATOM   2466 C  C4    . DG  E 2 12  ? -3.21523  -16.61865 -5.45814  1.000 36.23336 ? 31  DG  C C4    1 
ATOM   2467 O  "O5'" . DC  F 3 1   ? -9.84950  -25.95519 -7.73584  1.000 57.44208 ? 41  DC  F "O5'" 1 
ATOM   2468 C  "C5'" . DC  F 3 1   ? -8.89752  -26.53077 -8.63147  1.000 49.52107 ? 41  DC  F "C5'" 1 
ATOM   2469 C  "C4'" . DC  F 3 1   ? -7.48720  -26.12949 -8.23681  1.000 48.25873 ? 41  DC  F "C4'" 1 
ATOM   2470 O  "O4'" . DC  F 3 1   ? -7.22708  -24.78128 -8.70521  1.000 47.96802 ? 41  DC  F "O4'" 1 
ATOM   2471 C  "C3'" . DC  F 3 1   ? -7.23121  -26.12081 -6.72684  1.000 44.78052 ? 41  DC  F "C3'" 1 
ATOM   2472 O  "O3'" . DC  F 3 1   ? -6.03284  -26.81448 -6.41504  1.000 46.48166 ? 41  DC  F "O3'" 1 
ATOM   2473 C  "C2'" . DC  F 3 1   ? -7.12288  -24.64004 -6.37943  1.000 42.32435 ? 41  DC  F "C2'" 1 
ATOM   2474 C  "C1'" . DC  F 3 1   ? -6.63086  -24.02997 -7.67991  1.000 44.87227 ? 41  DC  F "C1'" 1 
ATOM   2475 N  N1    . DC  F 3 1   ? -7.04481  -22.61232 -7.82824  1.000 45.49005 ? 41  DC  F N1    1 
ATOM   2476 C  C2    . DC  F 3 1   ? -6.19215  -21.59542 -7.38942  1.000 46.86714 ? 41  DC  F C2    1 
ATOM   2477 O  O2    . DC  F 3 1   ? -5.09106  -21.89627 -6.91074  1.000 46.26699 ? 41  DC  F O2    1 
ATOM   2478 N  N3    . DC  F 3 1   ? -6.59516  -20.30597 -7.50678  1.000 44.76764 ? 41  DC  F N3    1 
ATOM   2479 C  C4    . DC  F 3 1   ? -7.78820  -20.02438 -8.03069  1.000 42.76490 ? 41  DC  F C4    1 
ATOM   2480 N  N4    . DC  F 3 1   ? -8.13867  -18.73899 -8.13028  1.000 47.42981 ? 41  DC  F N4    1 
ATOM   2481 C  C5    . DC  F 3 1   ? -8.67550  -21.04749 -8.47292  1.000 44.95172 ? 41  DC  F C5    1 
ATOM   2482 C  C6    . DC  F 3 1   ? -8.26928  -22.31577 -8.34833  1.000 45.85660 ? 41  DC  F C6    1 
HETATM 2483 N  N1    . BRU F 3 2   ? -6.03489  -21.76724 -3.21879  1.000 34.39477 ? 42  BRU F N1    1 
HETATM 2484 C  C2    . BRU F 3 2   ? -5.99506  -20.35469 -3.16602  1.000 34.31436 ? 42  BRU F C2    1 
HETATM 2485 N  N3    . BRU F 3 2   ? -7.01984  -19.60023 -3.58742  1.000 32.66464 ? 42  BRU F N3    1 
HETATM 2486 C  C4    . BRU F 3 2   ? -8.12321  -20.16729 -4.07919  1.000 33.96545 ? 42  BRU F C4    1 
HETATM 2487 C  C5    . BRU F 3 2   ? -8.19804  -21.64761 -4.15213  1.000 39.05186 ? 42  BRU F C5    1 
HETATM 2488 C  C6    . BRU F 3 2   ? -7.11024  -22.38918 -3.70931  1.000 35.79190 ? 42  BRU F C6    1 
HETATM 2489 O  O2    . BRU F 3 2   ? -4.97581  -19.79921 -2.70791  1.000 31.84482 ? 42  BRU F O2    1 
HETATM 2490 O  O4    . BRU F 3 2   ? -9.07870  -19.46170 -4.46404  1.000 35.04620 ? 42  BRU F O4    1 
HETATM 2491 BR BR    . BRU F 3 2   ? -9.74263  -22.50443 -4.83298  1.000 68.95122 ? 42  BRU F BR    1 
HETATM 2492 C  "C1'" . BRU F 3 2   ? -4.86752  -22.53907 -2.77037  1.000 33.89587 ? 42  BRU F "C1'" 1 
HETATM 2493 C  "C2'" . BRU F 3 2   ? -5.06864  -23.41769 -1.53641  1.000 33.59354 ? 42  BRU F "C2'" 1 
HETATM 2494 C  "C3'" . BRU F 3 2   ? -4.17520  -24.62588 -1.77247  1.000 34.70634 ? 42  BRU F "C3'" 1 
HETATM 2495 C  "C4'" . BRU F 3 2   ? -3.77982  -24.53231 -3.23967  1.000 37.42749 ? 42  BRU F "C4'" 1 
HETATM 2496 O  "O3'" . BRU F 3 2   ? -2.93786  -24.56230 -1.05614  1.000 34.38033 ? 42  BRU F "O3'" 1 
HETATM 2497 O  "O4'" . BRU F 3 2   ? -4.51307  -23.44676 -3.80872  1.000 36.88519 ? 42  BRU F "O4'" 1 
HETATM 2498 C  "C5'" . BRU F 3 2   ? -3.99189  -25.83037 -4.01182  1.000 46.17597 ? 42  BRU F "C5'" 1 
HETATM 2499 O  "O5'" . BRU F 3 2   ? -5.37197  -26.17625 -4.05176  1.000 41.56809 ? 42  BRU F "O5'" 1 
HETATM 2500 P  P     . BRU F 3 2   ? -5.83087  -27.42964 -4.94389  1.000 43.28801 ? 42  BRU F P     1 
HETATM 2501 O  OP1   . BRU F 3 2   ? -4.68052  -28.40757 -5.00043  1.000 45.51701 ? 42  BRU F OP1   1 
HETATM 2502 O  OP2   . BRU F 3 2   ? -7.19113  -27.87236 -4.45917  1.000 42.49061 ? 42  BRU F OP2   1 
ATOM   2503 P  P     . DT  F 3 3   ? -2.88648  -24.42254 0.54524   1.000 34.09965 ? 43  DT  F P     1 
ATOM   2504 O  OP1   . DT  F 3 3   ? -1.56530  -24.96107 0.93931   1.000 36.88764 ? 43  DT  F OP1   1 
ATOM   2505 O  OP2   . DT  F 3 3   ? -4.12190  -24.95911 1.16428   1.000 38.51188 ? 43  DT  F OP2   1 
ATOM   2506 O  "O5'" . DT  F 3 3   ? -2.86295  -22.85342 0.79038   1.000 32.30363 ? 43  DT  F "O5'" 1 
ATOM   2507 C  "C5'" . DT  F 3 3   ? -1.84748  -22.07668 0.19649   1.000 32.48974 ? 43  DT  F "C5'" 1 
ATOM   2508 C  "C4'" . DT  F 3 3   ? -2.06340  -20.61127 0.48967   1.000 33.62118 ? 43  DT  F "C4'" 1 
ATOM   2509 O  "O4'" . DT  F 3 3   ? -3.28947  -20.16424 -0.13984  1.000 28.70474 ? 43  DT  F "O4'" 1 
ATOM   2510 C  "C3'" . DT  F 3 3   ? -2.19380  -20.26239 1.97508   1.000 26.66121 ? 43  DT  F "C3'" 1 
ATOM   2511 O  "O3'" . DT  F 3 3   ? -1.36207  -19.15407 2.25311   1.000 27.26022 ? 43  DT  F "O3'" 1 
ATOM   2512 C  "C2'" . DT  F 3 3   ? -3.67988  -19.91260 2.12860   1.000 26.89159 ? 43  DT  F "C2'" 1 
ATOM   2513 C  "C1'" . DT  F 3 3   ? -3.98606  -19.33960 0.75908   1.000 26.94686 ? 43  DT  F "C1'" 1 
ATOM   2514 N  N1    . DT  F 3 3   ? -5.43235  -19.34776 0.36646   1.000 30.07602 ? 43  DT  F N1    1 
ATOM   2515 C  C2    . DT  F 3 3   ? -6.04159  -18.15857 0.04281   1.000 26.51599 ? 43  DT  F C2    1 
ATOM   2516 O  O2    . DT  F 3 3   ? -5.47582  -17.08358 0.10291   1.000 30.76912 ? 43  DT  F O2    1 
ATOM   2517 N  N3    . DT  F 3 3   ? -7.35027  -18.26898 -0.33822  1.000 29.33656 ? 43  DT  F N3    1 
ATOM   2518 C  C4    . DT  F 3 3   ? -8.09502  -19.42881 -0.43701  1.000 29.56924 ? 43  DT  F C4    1 
ATOM   2519 O  O4    . DT  F 3 3   ? -9.26903  -19.42844 -0.79046  1.000 28.80428 ? 43  DT  F O4    1 
ATOM   2520 C  C5    . DT  F 3 3   ? -7.39718  -20.64097 -0.09476  1.000 29.71886 ? 43  DT  F C5    1 
ATOM   2521 C  C7    . DT  F 3 3   ? -8.11263  -21.95956 -0.15881  1.000 31.63091 ? 43  DT  F C7    1 
ATOM   2522 C  C6    . DT  F 3 3   ? -6.11053  -20.54503 0.28021   1.000 26.80408 ? 43  DT  F C6    1 
ATOM   2523 P  P     . DT  F 3 4   ? -1.07269  -18.68104 3.75856   1.000 29.57429 ? 44  DT  F P     1 
ATOM   2524 O  OP1   . DT  F 3 4   ? 0.38833   -18.43826 3.80551   1.000 29.50963 ? 44  DT  F OP1   1 
ATOM   2525 O  OP2   . DT  F 3 4   ? -1.71342  -19.60421 4.72483   1.000 29.81586 ? 44  DT  F OP2   1 
ATOM   2526 O  "O5'" . DT  F 3 4   ? -1.80816  -17.27348 3.84851   1.000 26.67629 ? 44  DT  F "O5'" 1 
ATOM   2527 C  "C5'" . DT  F 3 4   ? -1.54918  -16.31164 2.83903   1.000 29.82703 ? 44  DT  F "C5'" 1 
ATOM   2528 C  "C4'" . DT  F 3 4   ? -2.59648  -15.21974 2.83423   1.000 23.43852 ? 44  DT  F "C4'" 1 
ATOM   2529 O  "O4'" . DT  F 3 4   ? -3.87271  -15.74328 2.41049   1.000 27.30950 ? 44  DT  F "O4'" 1 
ATOM   2530 C  "C3'" . DT  F 3 4   ? -2.83970  -14.52480 4.17088   1.000 28.77220 ? 44  DT  F "C3'" 1 
ATOM   2531 O  "O3'" . DT  F 3 4   ? -2.75618  -13.14771 3.93333   1.000 26.91965 ? 44  DT  F "O3'" 1 
ATOM   2532 C  "C2'" . DT  F 3 4   ? -4.26899  -14.96041 4.55166   1.000 24.82165 ? 44  DT  F "C2'" 1 
ATOM   2533 C  "C1'" . DT  F 3 4   ? -4.88461  -15.14112 3.17696   1.000 23.10994 ? 44  DT  F "C1'" 1 
ATOM   2534 N  N1    . DT  F 3 4   ? -6.06717  -16.03798 3.10843   1.000 25.65433 ? 44  DT  F N1    1 
ATOM   2535 C  C2    . DT  F 3 4   ? -7.22381  -15.56699 2.54300   1.000 22.41235 ? 44  DT  F C2    1 
ATOM   2536 O  O2    . DT  F 3 4   ? -7.35528  -14.42247 2.15441   1.000 25.36560 ? 44  DT  F O2    1 
ATOM   2537 N  N3    . DT  F 3 4   ? -8.23989  -16.47356 2.47832   1.000 23.97657 ? 44  DT  F N3    1 
ATOM   2538 C  C4    . DT  F 3 4   ? -8.20744  -17.79012 2.88612   1.000 23.19601 ? 44  DT  F C4    1 
ATOM   2539 O  O4    . DT  F 3 4   ? -9.17173  -18.53120 2.77881   1.000 28.04739 ? 44  DT  F O4    1 
ATOM   2540 C  C5    . DT  F 3 4   ? -6.95907  -18.23046 3.44792   1.000 26.65884 ? 44  DT  F C5    1 
ATOM   2541 C  C7    . DT  F 3 4   ? -6.81533  -19.63428 3.93245   1.000 25.74110 ? 44  DT  F C7    1 
ATOM   2542 C  C6    . DT  F 3 4   ? -5.95193  -17.34691 3.52047   1.000 23.26495 ? 44  DT  F C6    1 
ATOM   2543 P  P     . DT  F 3 5   ? -2.75503  -12.08329 5.12354   1.000 27.45836 ? 45  DT  F P     1 
ATOM   2544 O  OP1   . DT  F 3 5   ? -2.01716  -10.91565 4.57370   1.000 25.87653 ? 45  DT  F OP1   1 
ATOM   2545 O  OP2   . DT  F 3 5   ? -2.32133  -12.72070 6.38313   1.000 29.16057 ? 45  DT  F OP2   1 
ATOM   2546 O  "O5'" . DT  F 3 5   ? -4.28702  -11.65787 5.21381   1.000 26.69876 ? 45  DT  F "O5'" 1 
ATOM   2547 C  "C5'" . DT  F 3 5   ? -4.89689  -11.05165 4.08151   1.000 28.13518 ? 45  DT  F "C5'" 1 
ATOM   2548 C  "C4'" . DT  F 3 5   ? -6.39212  -10.89015 4.28135   1.000 26.54902 ? 45  DT  F "C4'" 1 
ATOM   2549 O  "O4'" . DT  F 3 5   ? -7.05992  -12.17272 4.13518   1.000 24.17991 ? 45  DT  F "O4'" 1 
ATOM   2550 C  "C3'" . DT  F 3 5   ? -6.82010  -10.35506 5.65722   1.000 25.96613 ? 45  DT  F "C3'" 1 
ATOM   2551 O  "O3'" . DT  F 3 5   ? -7.73342  -9.28680  5.47805   1.000 28.69742 ? 45  DT  F "O3'" 1 
ATOM   2552 C  "C2'" . DT  F 3 5   ? -7.51270  -11.56298 6.28919   1.000 22.98104 ? 45  DT  F "C2'" 1 
ATOM   2553 C  "C1'" . DT  F 3 5   ? -8.10660  -12.19905 5.06688   1.000 22.97107 ? 45  DT  F "C1'" 1 
ATOM   2554 N  N1    . DT  F 3 5   ? -8.58420  -13.58793 5.26559   1.000 23.47215 ? 45  DT  F N1    1 
ATOM   2555 C  C2    . DT  F 3 5   ? -9.81503  -13.92715 4.76964   1.000 20.89087 ? 45  DT  F C2    1 
ATOM   2556 O  O2    . DT  F 3 5   ? -10.52479 -13.14523 4.16891   1.000 23.78294 ? 45  DT  F O2    1 
ATOM   2557 N  N3    . DT  F 3 5   ? -10.18978 -15.21950 4.99582   1.000 22.67774 ? 45  DT  F N3    1 
ATOM   2558 C  C4    . DT  F 3 5   ? -9.46983  -16.19505 5.65191   1.000 22.05674 ? 45  DT  F C4    1 
ATOM   2559 O  O4    . DT  F 3 5   ? -9.89899  -17.33758 5.80076   1.000 21.48376 ? 45  DT  F O4    1 
ATOM   2560 C  C5    . DT  F 3 5   ? -8.18302  -15.77595 6.15986   1.000 23.18994 ? 45  DT  F C5    1 
ATOM   2561 C  C7    . DT  F 3 5   ? -7.31500  -16.75226 6.89876   1.000 23.84560 ? 45  DT  F C7    1 
ATOM   2562 C  C6    . DT  F 3 5   ? -7.80296  -14.50465 5.94714   1.000 20.51001 ? 45  DT  F C6    1 
ATOM   2563 P  P     . DG  F 3 6   ? -7.90084  -8.14659  6.59557   1.000 26.37704 ? 46  DG  F P     1 
ATOM   2564 O  OP1   . DG  F 3 6   ? -8.90485  -7.20579  6.05750   1.000 25.81273 ? 46  DG  F OP1   1 
ATOM   2565 O  OP2   . DG  F 3 6   ? -6.55708  -7.64070  6.95582   1.000 27.36928 ? 46  DG  F OP2   1 
ATOM   2566 O  "O5'" . DG  F 3 6   ? -8.48627  -8.92748  7.86435   1.000 25.22332 ? 46  DG  F "O5'" 1 
ATOM   2567 C  "C5'" . DG  F 3 6   ? -9.81982  -8.68390  8.31905   1.000 22.80853 ? 46  DG  F "C5'" 1 
ATOM   2568 C  "C4'" . DG  F 3 6   ? -10.84326 -9.38908  7.44068   1.000 26.76760 ? 46  DG  F "C4'" 1 
ATOM   2569 O  "O4'" . DG  F 3 6   ? -10.54922 -10.80725 7.34880   1.000 28.04324 ? 46  DG  F "O4'" 1 
ATOM   2570 C  "C3'" . DG  F 3 6   ? -12.29519 -9.29401  7.93409   1.000 20.89851 ? 46  DG  F "C3'" 1 
ATOM   2571 O  "O3'" . DG  F 3 6   ? -13.07439 -8.60946  6.97900   1.000 29.55279 ? 46  DG  F "O3'" 1 
ATOM   2572 C  "C2'" . DG  F 3 6   ? -12.73884 -10.75488 8.07437   1.000 22.63660 ? 46  DG  F "C2'" 1 
ATOM   2573 C  "C1'" . DG  F 3 6   ? -11.76824 -11.46260 7.14569   1.000 23.87376 ? 46  DG  F "C1'" 1 
ATOM   2574 N  N9    . DG  F 3 6   ? -11.62223 -12.88421 7.43364   1.000 22.10044 ? 46  DG  F N9    1 
ATOM   2575 C  C8    . DG  F 3 6   ? -10.55741 -13.51511 8.02209   1.000 22.05361 ? 46  DG  F C8    1 
ATOM   2576 N  N7    . DG  F 3 6   ? -10.72893 -14.80301 8.15425   1.000 24.93912 ? 46  DG  F N7    1 
ATOM   2577 C  C5    . DG  F 3 6   ? -11.98815 -15.03305 7.61275   1.000 22.59528 ? 46  DG  F C5    1 
ATOM   2578 C  C6    . DG  F 3 6   ? -12.72293 -16.23083 7.48547   1.000 22.00755 ? 46  DG  F C6    1 
ATOM   2579 O  O6    . DG  F 3 6   ? -12.39350 -17.36498 7.80897   1.000 21.43230 ? 46  DG  F O6    1 
ATOM   2580 N  N1    . DG  F 3 6   ? -13.95844 -16.02018 6.89465   1.000 24.00403 ? 46  DG  F N1    1 
ATOM   2581 C  C2    . DG  F 3 6   ? -14.43382 -14.80400 6.48894   1.000 22.41430 ? 46  DG  F C2    1 
ATOM   2582 N  N2    . DG  F 3 6   ? -15.65396 -14.80149 5.92913   1.000 27.19126 ? 46  DG  F N2    1 
ATOM   2583 N  N3    . DG  F 3 6   ? -13.75847 -13.67070 6.60008   1.000 23.32861 ? 46  DG  F N3    1 
ATOM   2584 C  C4    . DG  F 3 6   ? -12.54882 -13.86182 7.17411   1.000 21.82597 ? 46  DG  F C4    1 
ATOM   2585 P  P     . DT  F 3 7   ? -14.41578 -7.85045  7.42133   1.000 30.40240 ? 47  DT  F P     1 
ATOM   2586 O  OP1   . DT  F 3 7   ? -14.82495 -6.97684  6.30029   1.000 28.87995 ? 47  DT  F OP1   1 
ATOM   2587 O  OP2   . DT  F 3 7   ? -14.21284 -7.27788  8.77070   1.000 29.43364 ? 47  DT  F OP2   1 
ATOM   2588 O  "O5'" . DT  F 3 7   ? -15.49223 -9.01806  7.51258   1.000 32.78415 ? 47  DT  F "O5'" 1 
ATOM   2589 C  "C5'" . DT  F 3 7   ? -16.07837 -9.35565  8.74973   1.000 30.08039 ? 47  DT  F "C5'" 1 
ATOM   2590 C  "C4'" . DT  F 3 7   ? -17.10377 -10.44313 8.53538   1.000 27.46264 ? 47  DT  F "C4'" 1 
ATOM   2591 O  "O4'" . DT  F 3 7   ? -16.43710 -11.65153 8.12650   1.000 28.52214 ? 47  DT  F "O4'" 1 
ATOM   2592 C  "C3'" . DT  F 3 7   ? -17.89223 -10.85514 9.75637   1.000 24.17209 ? 47  DT  F "C3'" 1 
ATOM   2593 O  "O3'" . DT  F 3 7   ? -18.98605 -9.96365  9.94068   1.000 28.75114 ? 47  DT  F "O3'" 1 
ATOM   2594 C  "C2'" . DT  F 3 7   ? -18.37984 -12.24250 9.33832   1.000 29.78937 ? 47  DT  F "C2'" 1 
ATOM   2595 C  "C1'" . DT  F 3 7   ? -17.27279 -12.75045 8.42288   1.000 27.22313 ? 47  DT  F "C1'" 1 
ATOM   2596 N  N1    . DT  F 3 7   ? -16.45463 -13.82390 9.02984   1.000 27.80466 ? 47  DT  F N1    1 
ATOM   2597 C  C2    . DT  F 3 7   ? -16.94030 -15.10873 9.03452   1.000 26.87105 ? 47  DT  F C2    1 
ATOM   2598 O  O2    . DT  F 3 7   ? -18.02651 -15.41318 8.57116   1.000 28.05410 ? 47  DT  F O2    1 
ATOM   2599 N  N3    . DT  F 3 7   ? -16.10647 -16.03063 9.60531   1.000 23.68342 ? 47  DT  F N3    1 
ATOM   2600 C  C4    . DT  F 3 7   ? -14.85765 -15.79687 10.15358  1.000 21.43954 ? 47  DT  F C4    1 
ATOM   2601 O  O4    . DT  F 3 7   ? -14.18153 -16.69187 10.64639  1.000 23.04034 ? 47  DT  F O4    1 
ATOM   2602 C  C5    . DT  F 3 7   ? -14.41549 -14.42471 10.12221  1.000 21.75341 ? 47  DT  F C5    1 
ATOM   2603 C  C7    . DT  F 3 7   ? -13.08455 -14.04754 10.69594  1.000 26.46989 ? 47  DT  F C7    1 
ATOM   2604 C  C6    . DT  F 3 7   ? -15.22283 -13.51588 9.56683   1.000 22.22710 ? 47  DT  F C6    1 
ATOM   2605 P  P     . DA  F 3 8   ? -19.71903 -9.83637  11.36710  1.000 34.97256 ? 48  DA  F P     1 
ATOM   2606 O  OP1   . DA  F 3 8   ? -20.95196 -9.05390  11.13575  1.000 37.59672 ? 48  DA  F OP1   1 
ATOM   2607 O  OP2   . DA  F 3 8   ? -18.71789 -9.38836  12.35440  1.000 30.28535 ? 48  DA  F OP2   1 
ATOM   2608 O  "O5'" . DA  F 3 8   ? -20.11340 -11.34185 11.77367  1.000 38.93136 ? 48  DA  F "O5'" 1 
ATOM   2609 C  "C5'" . DA  F 3 8   ? -21.38400 -11.86375 11.42967  1.000 40.11746 ? 48  DA  F "C5'" 1 
ATOM   2610 C  "C4'" . DA  F 3 8   ? -21.42831 -13.37774 11.59331  1.000 36.24689 ? 48  DA  F "C4'" 1 
ATOM   2611 O  "O4'" . DA  F 3 8   ? -20.15724 -13.96686 11.26847  1.000 27.83036 ? 48  DA  F "O4'" 1 
ATOM   2612 C  "C3'" . DA  F 3 8   ? -21.67237 -13.87997 12.99753  1.000 28.53299 ? 48  DA  F "C3'" 1 
ATOM   2613 O  "O3'" . DA  F 3 8   ? -23.05002 -13.82101 13.30898  1.000 38.85092 ? 48  DA  F "O3'" 1 
ATOM   2614 C  "C2'" . DA  F 3 8   ? -21.18838 -15.32978 12.89916  1.000 28.23437 ? 48  DA  F "C2'" 1 
ATOM   2615 C  "C1'" . DA  F 3 8   ? -20.18713 -15.29619 11.73691  1.000 31.86305 ? 48  DA  F "C1'" 1 
ATOM   2616 N  N9    . DA  F 3 8   ? -18.83833 -15.72722 12.10636  1.000 27.90317 ? 48  DA  F N9    1 
ATOM   2617 C  C8    . DA  F 3 8   ? -17.74978 -14.93923 12.35696  1.000 24.37544 ? 48  DA  F C8    1 
ATOM   2618 N  N7    . DA  F 3 8   ? -16.66911 -15.61677 12.66898  1.000 20.49005 ? 48  DA  F N7    1 
ATOM   2619 C  C5    . DA  F 3 8   ? -17.07415 -16.94072 12.60650  1.000 25.40332 ? 48  DA  F C5    1 
ATOM   2620 C  C6    . DA  F 3 8   ? -16.39645 -18.15915 12.82562  1.000 22.44653 ? 48  DA  F C6    1 
ATOM   2621 N  N6    . DA  F 3 8   ? -15.10414 -18.23718 13.16030  1.000 21.06617 ? 48  DA  F N6    1 
ATOM   2622 N  N1    . DA  F 3 8   ? -17.10171 -19.30182 12.68628  1.000 26.65829 ? 48  DA  F N1    1 
ATOM   2623 C  C2    . DA  F 3 8   ? -18.39193 -19.22647 12.35128  1.000 28.08322 ? 48  DA  F C2    1 
ATOM   2624 N  N3    . DA  F 3 8   ? -19.13051 -18.14565 12.11202  1.000 24.68501 ? 48  DA  F N3    1 
ATOM   2625 C  C4    . DA  F 3 8   ? -18.40706 -17.02606 12.26335  1.000 25.98012 ? 48  DA  F C4    1 
HETATM 2626 N  N1    . BRU F 3 9   ? -21.28623 -18.75033 15.28195  1.000 29.78559 ? 49  BRU F N1    1 
HETATM 2627 C  C2    . BRU F 3 9   ? -20.33903 -19.80118 15.27138  1.000 31.98289 ? 49  BRU F C2    1 
HETATM 2628 N  N3    . BRU F 3 9   ? -19.04173 -19.57089 15.52235  1.000 28.18368 ? 49  BRU F N3    1 
HETATM 2629 C  C4    . BRU F 3 9   ? -18.59922 -18.33613 15.77434  1.000 23.96622 ? 49  BRU F C4    1 
HETATM 2630 C  C5    . BRU F 3 9   ? -19.56881 -17.22683 15.78548  1.000 24.40033 ? 49  BRU F C5    1 
HETATM 2631 C  C6    . BRU F 3 9   ? -20.90242 -17.49879 15.53624  1.000 27.86208 ? 49  BRU F C6    1 
HETATM 2632 O  O2    . BRU F 3 9   ? -20.72021 -20.96983 15.03512  1.000 29.67980 ? 49  BRU F O2    1 
HETATM 2633 O  O4    . BRU F 3 9   ? -17.39364 -18.10550 16.00711  1.000 26.51752 ? 49  BRU F O4    1 
HETATM 2634 BR BR    . BRU F 3 9   ? -18.97035 -15.47571 16.13926  1.000 36.09275 ? 49  BRU F BR    1 
HETATM 2635 C  "C1'" . BRU F 3 9   ? -22.69438 -19.03777 14.99565  1.000 30.64463 ? 49  BRU F "C1'" 1 
HETATM 2636 C  "C2'" . BRU F 3 9   ? -23.61950 -18.65729 16.13808  1.000 37.47687 ? 49  BRU F "C2'" 1 
HETATM 2637 C  "C3'" . BRU F 3 9   ? -24.90987 -18.27604 15.43298  1.000 41.10960 ? 49  BRU F "C3'" 1 
HETATM 2638 C  "C4'" . BRU F 3 9   ? -24.47774 -17.83984 14.04251  1.000 39.03632 ? 49  BRU F "C4'" 1 
HETATM 2639 O  "O3'" . BRU F 3 9   ? -25.76398 -19.40785 15.23338  1.000 45.68778 ? 49  BRU F "O3'" 1 
HETATM 2640 O  "O4'" . BRU F 3 9   ? -23.12136 -18.26739 13.86866  1.000 35.96817 ? 49  BRU F "O4'" 1 
HETATM 2641 C  "C5'" . BRU F 3 9   ? -24.58175 -16.33039 13.85984  1.000 35.91315 ? 49  BRU F "C5'" 1 
HETATM 2642 O  "O5'" . BRU F 3 9   ? -23.81083 -15.67592 14.86514  1.000 34.74322 ? 49  BRU F "O5'" 1 
HETATM 2643 P  P     . BRU F 3 9   ? -23.54574 -14.08722 14.81461  1.000 38.74790 ? 49  BRU F P     1 
HETATM 2644 O  OP1   . BRU F 3 9   ? -24.86054 -13.36975 14.96254  1.000 38.81104 ? 49  BRU F OP1   1 
HETATM 2645 O  OP2   . BRU F 3 9   ? -22.41172 -13.80467 15.76934  1.000 32.74276 ? 49  BRU F OP2   1 
ATOM   2646 P  P     . DA  F 3 10  ? -26.30718 -20.28692 16.46767  1.000 43.20865 ? 50  DA  F P     1 
ATOM   2647 O  OP1   . DA  F 3 10  ? -27.58895 -20.86878 16.02113  1.000 43.54741 ? 50  DA  F OP1   1 
ATOM   2648 O  OP2   . DA  F 3 10  ? -26.25441 -19.51290 17.73236  1.000 42.94066 ? 50  DA  F OP2   1 
ATOM   2649 O  "O5'" . DA  F 3 10  ? -25.24850 -21.47271 16.58654  1.000 48.58487 ? 50  DA  F "O5'" 1 
ATOM   2650 C  "C5'" . DA  F 3 10  ? -24.82893 -22.17323 15.42552  1.000 46.69287 ? 50  DA  F "C5'" 1 
ATOM   2651 C  "C4'" . DA  F 3 10  ? -24.22610 -23.53154 15.77352  1.000 49.03380 ? 50  DA  F "C4'" 1 
ATOM   2652 O  "O4'" . DA  F 3 10  ? -22.79847 -23.40822 15.97953  1.000 41.11538 ? 50  DA  F "O4'" 1 
ATOM   2653 C  "C3'" . DA  F 3 10  ? -24.76399 -24.21251 17.02224  1.000 40.89562 ? 50  DA  F "C3'" 1 
ATOM   2654 O  "O3'" . DA  F 3 10  ? -24.73811 -25.62768 16.81220  1.000 55.28133 ? 50  DA  F "O3'" 1 
ATOM   2655 C  "C2'" . DA  F 3 10  ? -23.78058 -23.76410 18.11485  1.000 43.43772 ? 50  DA  F "C2'" 1 
ATOM   2656 C  "C1'" . DA  F 3 10  ? -22.47121 -23.60651 17.34597  1.000 38.64241 ? 50  DA  F "C1'" 1 
ATOM   2657 N  N9    . DA  F 3 10  ? -21.66300 -22.46710 17.76584  1.000 31.97966 ? 50  DA  F N9    1 
ATOM   2658 C  C8    . DA  F 3 10  ? -22.07771 -21.17406 17.91214  1.000 32.98428 ? 50  DA  F C8    1 
ATOM   2659 N  N7    . DA  F 3 10  ? -21.12240 -20.34694 18.27003  1.000 36.37755 ? 50  DA  F N7    1 
ATOM   2660 C  C5    . DA  F 3 10  ? -19.99822 -21.15228 18.35150  1.000 32.19723 ? 50  DA  F C5    1 
ATOM   2661 C  C6    . DA  F 3 10  ? -18.65076 -20.88225 18.68417  1.000 28.99174 ? 50  DA  F C6    1 
ATOM   2662 N  N6    . DA  F 3 10  ? -18.19523 -19.66556 19.00284  1.000 26.36794 ? 50  DA  F N6    1 
ATOM   2663 N  N1    . DA  F 3 10  ? -17.78522 -21.91477 18.67453  1.000 27.41821 ? 50  DA  F N1    1 
ATOM   2664 C  C2    . DA  F 3 10  ? -18.23750 -23.13259 18.35603  1.000 28.20726 ? 50  DA  F C2    1 
ATOM   2665 N  N3    . DA  F 3 10  ? -19.47188 -23.50882 18.01473  1.000 32.62135 ? 50  DA  F N3    1 
ATOM   2666 C  C4    . DA  F 3 10  ? -20.31274 -22.46194 18.03557  1.000 37.36806 ? 50  DA  F C4    1 
ATOM   2667 P  P     . DA  F 3 11  ? -25.00753 -26.66881 18.00543  1.000 51.08620 ? 51  DA  F P     1 
ATOM   2668 O  OP1   . DA  F 3 11  ? -25.42336 -27.94180 17.37576  1.000 52.32922 ? 51  DA  F OP1   1 
ATOM   2669 O  OP2   . DA  F 3 11  ? -25.88015 -26.05286 19.02737  1.000 45.33240 ? 51  DA  F OP2   1 
ATOM   2670 O  "O5'" . DA  F 3 11  ? -23.55921 -26.89730 18.63567  1.000 43.86444 ? 51  DA  F "O5'" 1 
ATOM   2671 C  "C5'" . DA  F 3 11  ? -22.49003 -27.32403 17.81292  1.000 39.70836 ? 51  DA  F "C5'" 1 
ATOM   2672 C  "C4'" . DA  F 3 11  ? -21.27559 -27.69583 18.64637  1.000 43.70259 ? 51  DA  F "C4'" 1 
ATOM   2673 O  "O4'" . DA  F 3 11  ? -20.52145 -26.50186 18.97651  1.000 39.40669 ? 51  DA  F "O4'" 1 
ATOM   2674 C  "C3'" . DA  F 3 11  ? -21.57819 -28.38649 19.97488  1.000 45.10806 ? 51  DA  F "C3'" 1 
ATOM   2675 O  "O3'" . DA  F 3 11  ? -20.62637 -29.41852 20.18903  1.000 47.62879 ? 51  DA  F "O3'" 1 
ATOM   2676 C  "C2'" . DA  F 3 11  ? -21.43229 -27.25603 20.99779  1.000 44.31889 ? 51  DA  F "C2'" 1 
ATOM   2677 C  "C1'" . DA  F 3 11  ? -20.32499 -26.42996 20.37652  1.000 42.40434 ? 51  DA  F "C1'" 1 
ATOM   2678 N  N9    . DA  F 3 11  ? -20.34533 -25.02313 20.76224  1.000 40.02626 ? 51  DA  F N9    1 
ATOM   2679 C  C8    . DA  F 3 11  ? -21.42351 -24.18317 20.77194  1.000 41.05810 ? 51  DA  F C8    1 
ATOM   2680 N  N7    . DA  F 3 11  ? -21.13436 -22.95734 21.14535  1.000 35.60711 ? 51  DA  F N7    1 
ATOM   2681 C  C5    . DA  F 3 11  ? -19.77142 -22.99833 21.39093  1.000 35.15728 ? 51  DA  F C5    1 
ATOM   2682 C  C6    . DA  F 3 11  ? -18.84792 -22.01971 21.82121  1.000 36.52208 ? 51  DA  F C6    1 
ATOM   2683 N  N6    . DA  F 3 11  ? -19.18381 -20.75002 22.08502  1.000 31.60895 ? 51  DA  F N6    1 
ATOM   2684 N  N1    . DA  F 3 11  ? -17.55779 -22.39708 21.96531  1.000 35.04013 ? 51  DA  F N1    1 
ATOM   2685 C  C2    . DA  F 3 11  ? -17.22099 -23.66540 21.69416  1.000 34.75847 ? 51  DA  F C2    1 
ATOM   2686 N  N3    . DA  F 3 11  ? -17.99702 -24.66863 21.28685  1.000 37.11573 ? 51  DA  F N3    1 
ATOM   2687 C  C4    . DA  F 3 11  ? -19.27484 -24.26960 21.16915  1.000 34.19219 ? 51  DA  F C4    1 
ATOM   2688 P  P     . DT  F 3 12  ? -20.74453 -30.40963 21.44770  1.000 54.86502 ? 52  DT  F P     1 
ATOM   2689 O  OP1   . DT  F 3 12  ? -20.39907 -31.76047 20.96343  1.000 63.61284 ? 52  DT  F OP1   1 
ATOM   2690 O  OP2   . DT  F 3 12  ? -22.04358 -30.21120 22.13461  1.000 47.47600 ? 52  DT  F OP2   1 
ATOM   2691 O  "O5'" . DT  F 3 12  ? -19.57527 -29.91168 22.41391  1.000 44.30360 ? 52  DT  F "O5'" 1 
ATOM   2692 C  "C5'" . DT  F 3 12  ? -18.36898 -29.41368 21.86124  1.000 51.07699 ? 52  DT  F "C5'" 1 
ATOM   2693 C  "C4'" . DT  F 3 12  ? -17.42834 -28.94940 22.95547  1.000 50.98808 ? 52  DT  F "C4'" 1 
ATOM   2694 O  "O4'" . DT  F 3 12  ? -17.51808 -27.50511 23.09512  1.000 50.38118 ? 52  DT  F "O4'" 1 
ATOM   2695 C  "C3'" . DT  F 3 12  ? -17.71612 -29.53115 24.34155  1.000 48.58639 ? 52  DT  F "C3'" 1 
ATOM   2696 O  "O3'" . DT  F 3 12  ? -16.49798 -29.89261 24.97583  1.000 59.59171 ? 52  DT  F "O3'" 1 
ATOM   2697 C  "C2'" . DT  F 3 12  ? -18.40519 -28.37841 25.06956  1.000 42.56866 ? 52  DT  F "C2'" 1 
ATOM   2698 C  "C1'" . DT  F 3 12  ? -17.70046 -27.18203 24.45675  1.000 47.03753 ? 52  DT  F "C1'" 1 
ATOM   2699 N  N1    . DT  F 3 12  ? -18.47600 -25.91130 24.54790  1.000 47.65505 ? 52  DT  F N1    1 
ATOM   2700 C  C2    . DT  F 3 12  ? -17.81115 -24.74495 24.84331  1.000 45.09235 ? 52  DT  F C2    1 
ATOM   2701 O  O2    . DT  F 3 12  ? -16.60808 -24.69203 25.03513  1.000 41.84769 ? 52  DT  F O2    1 
ATOM   2702 N  N3    . DT  F 3 12  ? -18.60508 -23.63262 24.89996  1.000 41.71800 ? 52  DT  F N3    1 
ATOM   2703 C  C4    . DT  F 3 12  ? -19.97070 -23.57025 24.70318  1.000 44.26056 ? 52  DT  F C4    1 
ATOM   2704 O  O4    . DT  F 3 12  ? -20.59491 -22.51894 24.77812  1.000 41.53990 ? 52  DT  F O4    1 
ATOM   2705 C  C5    . DT  F 3 12  ? -20.61035 -24.82831 24.39912  1.000 42.43436 ? 52  DT  F C5    1 
ATOM   2706 C  C7    . DT  F 3 12  ? -22.08934 -24.88158 24.16202  1.000 38.88786 ? 52  DT  F C7    1 
ATOM   2707 C  C6    . DT  F 3 12  ? -19.84148 -25.92730 24.33591  1.000 45.13330 ? 52  DT  F C6    1 
HETATM 2708 O  O     . HOH G 4 .   ? 10.77045  -3.62803  26.99561  1.000 52.65113 ? 201 HOH A O     1 
HETATM 2709 O  O     . HOH G 4 .   ? 10.91128  21.69868  3.96942   1.000 52.54532 ? 202 HOH A O     1 
HETATM 2710 O  O     . HOH G 4 .   ? -16.71707 14.38134  17.02684  1.000 43.51181 ? 203 HOH A O     1 
HETATM 2711 O  O     . HOH G 4 .   ? -16.61111 -2.31620  7.22768   1.000 46.85632 ? 204 HOH A O     1 
HETATM 2712 O  O     . HOH G 4 .   ? 0.89845   25.47751  16.71731  1.000 50.51339 ? 205 HOH A O     1 
HETATM 2713 O  O     . HOH G 4 .   ? -8.37920  4.42324   7.84211   1.000 27.54658 ? 206 HOH A O     1 
HETATM 2714 O  O     . HOH G 4 .   ? 11.50574  11.66656  2.48383   1.000 33.82631 ? 207 HOH A O     1 
HETATM 2715 O  O     . HOH G 4 .   ? -5.01876  14.50046  5.97227   1.000 43.24207 ? 208 HOH A O     1 
HETATM 2716 O  O     . HOH G 4 .   ? -7.19766  -1.27810  21.68589  1.000 19.35060 ? 209 HOH A O     1 
HETATM 2717 O  O     . HOH G 4 .   ? 2.61008   20.84568  -6.23960  1.000 48.04684 ? 210 HOH A O     1 
HETATM 2718 O  O     . HOH G 4 .   ? 6.02927   -2.55365  24.77988  1.000 26.75342 ? 211 HOH A O     1 
HETATM 2719 O  O     . HOH G 4 .   ? -18.59294 6.35553   25.35230  1.000 45.30565 ? 212 HOH A O     1 
HETATM 2720 O  O     . HOH G 4 .   ? -10.53810 -5.10574  6.34089   1.000 38.03387 ? 213 HOH A O     1 
HETATM 2721 O  O     . HOH G 4 .   ? -6.85528  -2.33571  25.26265  1.000 35.95074 ? 214 HOH A O     1 
HETATM 2722 O  O     . HOH G 4 .   ? -1.42546  22.72714  18.46691  1.000 44.02849 ? 215 HOH A O     1 
HETATM 2723 O  O     . HOH G 4 .   ? -5.85943  -6.95111  10.27711  1.000 40.00318 ? 216 HOH A O     1 
HETATM 2724 O  O     . HOH G 4 .   ? -2.03742  11.99748  5.50744   1.000 26.44838 ? 217 HOH A O     1 
HETATM 2725 O  O     . HOH G 4 .   ? 1.53681   17.77981  13.94705  1.000 39.98821 ? 218 HOH A O     1 
HETATM 2726 O  O     . HOH G 4 .   ? 5.09681   28.64646  10.76789  1.000 57.32487 ? 219 HOH A O     1 
HETATM 2727 O  O     . HOH G 4 .   ? -4.65298  24.80485  3.94932   1.000 52.08814 ? 220 HOH A O     1 
HETATM 2728 O  O     . HOH G 4 .   ? -12.17558 1.03575   21.78958  1.000 38.62090 ? 221 HOH A O     1 
HETATM 2729 O  O     . HOH G 4 .   ? -10.82277 7.68631   10.20142  1.000 31.04477 ? 222 HOH A O     1 
HETATM 2730 O  O     . HOH G 4 .   ? -15.84290 12.38431  15.81973  1.000 26.90851 ? 223 HOH A O     1 
HETATM 2731 O  O     . HOH G 4 .   ? -21.84272 5.90039   9.29401   1.000 41.98128 ? 224 HOH A O     1 
HETATM 2732 O  O     . HOH G 4 .   ? 4.07626   -3.72838  17.67980  1.000 23.82208 ? 225 HOH A O     1 
HETATM 2733 O  O     . HOH G 4 .   ? -3.67284  7.46598   12.26624  1.000 16.47989 ? 226 HOH A O     1 
HETATM 2734 O  O     . HOH G 4 .   ? -7.31807  21.44279  3.26640   1.000 69.04597 ? 227 HOH A O     1 
HETATM 2735 O  O     . HOH G 4 .   ? -3.97871  12.12281  7.61550   1.000 29.25875 ? 228 HOH A O     1 
HETATM 2736 O  O     . HOH G 4 .   ? -11.07304 3.15693   9.17835   1.000 22.50979 ? 229 HOH A O     1 
HETATM 2737 O  O     . HOH G 4 .   ? -18.27256 2.41523   23.29111  1.000 35.32505 ? 230 HOH A O     1 
HETATM 2738 O  O     . HOH G 4 .   ? -4.50553  -6.06983  27.98859  1.000 39.85175 ? 231 HOH A O     1 
HETATM 2739 O  O     . HOH G 4 .   ? -17.28653 -4.73065  25.08815  1.000 36.64784 ? 232 HOH A O     1 
HETATM 2740 O  O     . HOH G 4 .   ? -17.02674 9.17229   13.33725  1.000 26.26608 ? 233 HOH A O     1 
HETATM 2741 O  O     . HOH G 4 .   ? -7.93415  -2.98831  10.42534  1.000 39.42794 ? 234 HOH A O     1 
HETATM 2742 O  O     . HOH G 4 .   ? 4.16282   0.75319   28.45951  1.000 33.76181 ? 235 HOH A O     1 
HETATM 2743 O  O     . HOH G 4 .   ? -11.10372 -7.07314  11.30251  1.000 25.17391 ? 236 HOH A O     1 
HETATM 2744 O  O     . HOH G 4 .   ? -2.40522  18.71715  19.45231  1.000 37.65226 ? 237 HOH A O     1 
HETATM 2745 O  O     . HOH G 4 .   ? 1.66349   -4.42666  15.25910  1.000 24.38977 ? 238 HOH A O     1 
HETATM 2746 O  O     . HOH G 4 .   ? -18.23726 8.61099   9.92618   1.000 38.65791 ? 239 HOH A O     1 
HETATM 2747 O  O     . HOH G 4 .   ? 0.70620   14.61660  -1.89107  1.000 44.77773 ? 240 HOH A O     1 
HETATM 2748 O  O     . HOH G 4 .   ? -3.33921  -7.97520  29.54896  1.000 36.30910 ? 241 HOH A O     1 
HETATM 2749 O  O     . HOH G 4 .   ? -5.06517  18.05999  20.44581  1.000 36.20617 ? 242 HOH A O     1 
HETATM 2750 O  O     . HOH G 4 .   ? -13.11762 18.93784  15.48912  1.000 28.84583 ? 243 HOH A O     1 
HETATM 2751 O  O     . HOH G 4 .   ? -0.84900  20.00236  16.29460  1.000 44.49738 ? 244 HOH A O     1 
HETATM 2752 O  O     . HOH G 4 .   ? 10.09268  6.51762   11.32415  1.000 22.19406 ? 245 HOH A O     1 
HETATM 2753 O  O     . HOH G 4 .   ? 4.12189   -2.70791  20.42218  1.000 27.60833 ? 246 HOH A O     1 
HETATM 2754 O  O     . HOH G 4 .   ? -7.22077  18.79394  19.40906  1.000 32.76336 ? 247 HOH A O     1 
HETATM 2755 O  O     . HOH G 4 .   ? -3.09624  -7.08194  11.19630  1.000 52.10367 ? 248 HOH A O     1 
HETATM 2756 O  O     . HOH G 4 .   ? -0.43521  -6.94592  13.01376  1.000 33.41849 ? 249 HOH A O     1 
HETATM 2757 O  O     . HOH G 4 .   ? -16.84425 12.58571  9.85003   1.000 41.31595 ? 250 HOH A O     1 
HETATM 2758 O  O     . HOH G 4 .   ? -6.24724  10.32759  7.08208   1.000 33.38958 ? 251 HOH A O     1 
HETATM 2759 O  O     . HOH G 4 .   ? -19.28586 11.79271  25.65796  1.000 46.66980 ? 252 HOH A O     1 
HETATM 2760 O  O     . HOH G 4 .   ? -11.05766 3.63641   20.95975  1.000 25.54022 ? 253 HOH A O     1 
HETATM 2761 O  O     . HOH G 4 .   ? -7.68739  -3.16523  7.17615   1.000 43.81160 ? 254 HOH A O     1 
HETATM 2762 O  O     . HOH G 4 .   ? -0.42437  17.12804  16.00372  1.000 36.13416 ? 255 HOH A O     1 
HETATM 2763 O  O     . HOH G 4 .   ? -23.111   0.987     16.023    1.000 37.42888 ? 256 HOH A O     1 
HETATM 2764 O  O     . HOH G 4 .   ? -15.90588 6.38547   7.74017   1.000 44.73690 ? 257 HOH A O     1 
HETATM 2765 O  O     . HOH G 4 .   ? -8.62472  8.67804   7.71328   1.000 41.72099 ? 258 HOH A O     1 
HETATM 2766 O  O     . HOH G 4 .   ? 12.59605  13.15516  10.53062  1.000 33.20026 ? 259 HOH A O     1 
HETATM 2767 O  O     . HOH G 4 .   ? -20.61010 -4.54544  16.26025  1.000 41.48448 ? 260 HOH A O     1 
HETATM 2768 O  O     . HOH G 4 .   ? -7.53306  -6.37378  25.54358  1.000 39.76444 ? 261 HOH A O     1 
HETATM 2769 O  O     . HOH G 4 .   ? -8.00753  23.91473  16.44566  1.000 42.58010 ? 262 HOH A O     1 
HETATM 2770 O  O     . HOH G 4 .   ? -9.51510  24.70054  2.75195   1.000 47.47097 ? 263 HOH A O     1 
HETATM 2771 O  O     . HOH G 4 .   ? -3.72344  -5.34597  8.29175   1.000 38.08509 ? 264 HOH A O     1 
HETATM 2772 O  O     . HOH G 4 .   ? -11.12397 9.05786   6.85308   1.000 31.85069 ? 265 HOH A O     1 
HETATM 2773 O  O     . HOH G 4 .   ? 4.25941   7.73725   15.60998  1.000 21.23297 ? 266 HOH A O     1 
HETATM 2774 O  O     . HOH G 4 .   ? -11.24445 7.26747   27.43714  1.000 37.36666 ? 267 HOH A O     1 
HETATM 2775 O  O     . HOH G 4 .   ? 6.35046   -6.67749  28.05999  1.000 43.65936 ? 268 HOH A O     1 
HETATM 2776 O  O     . HOH G 4 .   ? 4.03254   29.14924  5.38831   1.000 47.84051 ? 269 HOH A O     1 
HETATM 2777 O  O     . HOH G 4 .   ? -13.54984 1.95951   7.92012   1.000 34.57889 ? 270 HOH A O     1 
HETATM 2778 O  O     . HOH G 4 .   ? -0.22434  -6.03789  32.44864  1.000 49.44069 ? 271 HOH A O     1 
HETATM 2779 O  O     . HOH G 4 .   ? -4.76988  -3.72267  28.33330  1.000 41.39590 ? 272 HOH A O     1 
HETATM 2780 O  O     . HOH G 4 .   ? -2.39309  20.76167  -8.91090  1.000 51.87917 ? 273 HOH A O     1 
HETATM 2781 O  O     . HOH G 4 .   ? -5.67037  1.08319   -0.49184  1.000 55.98156 ? 274 HOH A O     1 
HETATM 2782 O  O     . HOH G 4 .   ? 2.78122   12.60339  -2.86715  1.000 55.37777 ? 275 HOH A O     1 
HETATM 2783 O  O     . HOH G 4 .   ? -10.52322 5.60497   8.97531   1.000 31.47814 ? 276 HOH A O     1 
HETATM 2784 O  O     . HOH G 4 .   ? -16.41189 13.04413  23.89688  1.000 40.03319 ? 277 HOH A O     1 
HETATM 2785 O  O     . HOH G 4 .   ? -1.20156  25.85535  17.32846  1.000 58.62961 ? 278 HOH A O     1 
HETATM 2786 O  O     . HOH G 4 .   ? -11.10016 7.16980   24.47319  1.000 27.67464 ? 279 HOH A O     1 
HETATM 2787 O  O     . HOH G 4 .   ? -9.39092  22.13392  17.70443  1.000 40.10010 ? 280 HOH A O     1 
HETATM 2788 O  O     . HOH G 4 .   ? -5.89298  -7.24535  29.00141  1.000 47.51444 ? 281 HOH A O     1 
HETATM 2789 O  O     . HOH G 4 .   ? -8.12415  0.68607   2.42204   1.000 47.46754 ? 282 HOH A O     1 
HETATM 2790 O  O     . HOH G 4 .   ? 9.26655   30.76032  12.12768  1.000 54.20210 ? 283 HOH A O     1 
HETATM 2791 O  O     . HOH G 4 .   ? 13.09148  17.20900  -0.06146  1.000 56.99368 ? 284 HOH A O     1 
HETATM 2792 O  O     . HOH G 4 .   ? -4.96872  15.44560  23.89826  1.000 37.40137 ? 285 HOH A O     1 
HETATM 2793 O  O     . HOH G 4 .   ? -5.75880  19.29429  4.10371   1.000 55.14958 ? 286 HOH A O     1 
HETATM 2794 O  O     . HOH G 4 .   ? -0.18303  -9.77014  31.43971  1.000 56.39468 ? 287 HOH A O     1 
HETATM 2795 O  O     . HOH G 4 .   ? -17.55458 10.15343  16.00038  1.000 33.35099 ? 288 HOH A O     1 
HETATM 2796 O  O     . HOH G 4 .   ? -6.80169  14.66333  23.79117  1.000 46.34925 ? 289 HOH A O     1 
HETATM 2797 O  O     . HOH G 4 .   ? -20.81803 -0.21532  22.71505  1.000 48.07273 ? 290 HOH A O     1 
HETATM 2798 O  O     . HOH G 4 .   ? 7.94632   0.79222   29.98354  1.000 49.08152 ? 291 HOH A O     1 
HETATM 2799 O  O     . HOH G 4 .   ? -21.03724 -2.20599  22.82631  1.000 39.85920 ? 292 HOH A O     1 
HETATM 2800 O  O     . HOH G 4 .   ? -23.691   12.689    23.202    1.000 59.09902 ? 293 HOH A O     1 
HETATM 2801 O  O     . HOH G 4 .   ? -2.73125  24.17866  -4.82629  1.000 52.55729 ? 294 HOH A O     1 
HETATM 2802 O  O     . HOH G 4 .   ? -12.82021 4.62887   6.82369   1.000 48.76989 ? 295 HOH A O     1 
HETATM 2803 O  O     . HOH G 4 .   ? -21.44735 -0.52624  29.49668  1.000 54.97789 ? 296 HOH A O     1 
HETATM 2804 O  O     . HOH G 4 .   ? -13.45878 21.47426  16.58494  1.000 37.27822 ? 297 HOH A O     1 
HETATM 2805 O  O     . HOH G 4 .   ? -12.21661 23.35096  4.56959   1.000 55.01556 ? 298 HOH A O     1 
HETATM 2806 O  O     . HOH G 4 .   ? -10.66810 10.09502  29.34021  1.000 47.35722 ? 299 HOH A O     1 
HETATM 2807 O  O     . HOH G 4 .   ? -6.28794  23.39582  -5.99031  1.000 65.35435 ? 300 HOH A O     1 
HETATM 2808 O  O     . HOH G 4 .   ? -6.74901  18.48704  -11.39572 1.000 51.82867 ? 301 HOH A O     1 
HETATM 2809 O  O     . HOH H 4 .   ? 3.99850   -24.15098 23.62781  1.000 50.76028 ? 201 HOH B O     1 
HETATM 2810 O  O     . HOH H 4 .   ? -1.27057  -37.92095 -5.27403  1.000 54.59206 ? 202 HOH B O     1 
HETATM 2811 O  O     . HOH H 4 .   ? -4.15754  -15.06878 24.15656  1.000 48.04387 ? 203 HOH B O     1 
HETATM 2812 O  O     . HOH H 4 .   ? -18.15795 -16.82634 23.03223  1.000 33.38936 ? 204 HOH B O     1 
HETATM 2813 O  O     . HOH H 4 .   ? -2.30933  -8.46636  10.02016  1.000 43.76264 ? 205 HOH B O     1 
HETATM 2814 O  O     . HOH H 4 .   ? -0.00063  -31.74523 -2.41752  1.000 54.51797 ? 206 HOH B O     1 
HETATM 2815 O  O     . HOH H 4 .   ? -3.45584  -9.21712  27.52171  1.000 45.92677 ? 207 HOH B O     1 
HETATM 2816 O  O     . HOH H 4 .   ? -8.84995  -34.31914 13.72557  1.000 45.03807 ? 208 HOH B O     1 
HETATM 2817 O  O     . HOH H 4 .   ? -0.16970  -11.61070 13.37086  1.000 39.25363 ? 209 HOH B O     1 
HETATM 2818 O  O     . HOH H 4 .   ? -11.05630 -42.70291 5.19108   1.000 58.08606 ? 210 HOH B O     1 
HETATM 2819 O  O     . HOH H 4 .   ? -10.30968 -36.67675 15.82885  1.000 54.32398 ? 211 HOH B O     1 
HETATM 2820 O  O     . HOH H 4 .   ? -7.99261  -13.03881 21.53482  1.000 27.36773 ? 212 HOH B O     1 
HETATM 2821 O  O     . HOH H 4 .   ? -20.44516 -7.51058  13.86634  1.000 32.90108 ? 213 HOH B O     1 
HETATM 2822 O  O     . HOH H 4 .   ? -14.33203 -31.91929 2.04091   1.000 43.90417 ? 214 HOH B O     1 
HETATM 2823 O  O     . HOH H 4 .   ? 0.27353   -25.31376 28.19260  1.000 48.64290 ? 215 HOH B O     1 
HETATM 2824 O  O     . HOH H 4 .   ? -2.46539  -9.52842  30.33511  1.000 40.55627 ? 216 HOH B O     1 
HETATM 2825 O  O     . HOH H 4 .   ? -13.57870 -30.53762 10.44318  1.000 33.98783 ? 217 HOH B O     1 
HETATM 2826 O  O     . HOH H 4 .   ? -17.31750 -22.28071 -6.45519  1.000 55.01086 ? 218 HOH B O     1 
HETATM 2827 O  O     . HOH H 4 .   ? 1.57834   -7.27815  15.73079  1.000 37.64168 ? 219 HOH B O     1 
HETATM 2828 O  O     . HOH H 4 .   ? -10.05227 -33.36346 16.71083  1.000 42.46925 ? 220 HOH B O     1 
HETATM 2829 O  O     . HOH H 4 .   ? -14.65944 -10.73084 11.72255  1.000 21.93104 ? 221 HOH B O     1 
HETATM 2830 O  O     . HOH H 4 .   ? -4.55160  -17.69273 23.47729  1.000 37.35966 ? 222 HOH B O     1 
HETATM 2831 O  O     . HOH H 4 .   ? 1.47306   -18.66975 11.46758  1.000 33.63292 ? 223 HOH B O     1 
HETATM 2832 O  O     . HOH H 4 .   ? 5.84734   -9.55136  16.62522  1.000 42.33086 ? 224 HOH B O     1 
HETATM 2833 O  O     . HOH H 4 .   ? 2.78806   -17.16984 14.09629  1.000 28.92319 ? 225 HOH B O     1 
HETATM 2834 O  O     . HOH H 4 .   ? -1.94297  -26.57891 8.61997   1.000 35.38648 ? 226 HOH B O     1 
HETATM 2835 O  O     . HOH H 4 .   ? 0.15169   -24.69790 9.62654   1.000 33.49677 ? 227 HOH B O     1 
HETATM 2836 O  O     . HOH H 4 .   ? -16.89658 -21.50733 -0.69659  1.000 52.04779 ? 228 HOH B O     1 
HETATM 2837 O  O     . HOH H 4 .   ? -13.79522 -8.27052  24.66531  1.000 39.67761 ? 229 HOH B O     1 
HETATM 2838 O  O     . HOH H 4 .   ? -14.84496 -20.91499 2.82403   1.000 32.76917 ? 230 HOH B O     1 
HETATM 2839 O  O     . HOH H 4 .   ? -11.16433 -9.84655  11.20750  1.000 22.31657 ? 231 HOH B O     1 
HETATM 2840 O  O     . HOH H 4 .   ? -22.51452 -7.76248  18.39062  1.000 44.95830 ? 232 HOH B O     1 
HETATM 2841 O  O     . HOH H 4 .   ? -13.51058 -20.05138 0.21038   1.000 34.80792 ? 233 HOH B O     1 
HETATM 2842 O  O     . HOH H 4 .   ? -10.20302 -12.16585 24.10510  1.000 39.37515 ? 234 HOH B O     1 
HETATM 2843 O  O     . HOH H 4 .   ? -1.97211  -26.12849 5.65753   1.000 39.26699 ? 235 HOH B O     1 
HETATM 2844 O  O     . HOH H 4 .   ? 2.12680   -21.88764 14.82348  1.000 48.12867 ? 236 HOH B O     1 
HETATM 2845 O  O     . HOH H 4 .   ? -5.08351  -21.75006 11.88208  1.000 23.87530 ? 237 HOH B O     1 
HETATM 2846 O  O     . HOH H 4 .   ? 0.94717   -11.59676 9.83229   1.000 39.56508 ? 238 HOH B O     1 
HETATM 2847 O  O     . HOH H 4 .   ? 2.81634   -26.54972 22.09754  1.000 39.73171 ? 239 HOH B O     1 
HETATM 2848 O  O     . HOH H 4 .   ? -16.36542 -11.68435 13.57034  1.000 29.26183 ? 240 HOH B O     1 
HETATM 2849 O  O     . HOH H 4 .   ? -8.72018  -32.42426 19.12361  1.000 48.27527 ? 241 HOH B O     1 
HETATM 2850 O  O     . HOH H 4 .   ? -9.67872  -31.62996 12.96550  1.000 42.75615 ? 242 HOH B O     1 
HETATM 2851 O  O     . HOH H 4 .   ? -8.25744  -6.96918  11.38858  1.000 37.48482 ? 243 HOH B O     1 
HETATM 2852 O  O     . HOH H 4 .   ? -5.94116  -43.30703 1.56977   1.000 48.91763 ? 244 HOH B O     1 
HETATM 2853 O  O     . HOH H 4 .   ? 2.04140   -22.54534 11.49143  1.000 45.13285 ? 245 HOH B O     1 
HETATM 2854 O  O     . HOH H 4 .   ? 9.24638   -5.43632  25.80885  1.000 48.73041 ? 246 HOH B O     1 
HETATM 2855 O  O     . HOH H 4 .   ? -10.46700 -43.88875 2.27675   1.000 53.68163 ? 247 HOH B O     1 
HETATM 2856 O  O     . HOH H 4 .   ? -16.65562 -27.70683 0.70495   1.000 45.06032 ? 248 HOH B O     1 
HETATM 2857 O  O     . HOH H 4 .   ? 6.92985   -26.77514 18.62264  1.000 45.70185 ? 249 HOH B O     1 
HETATM 2858 O  O     . HOH H 4 .   ? 0.75913   -33.44420 20.41208  1.000 41.68457 ? 250 HOH B O     1 
HETATM 2859 O  O     . HOH H 4 .   ? -6.45263  -33.18458 20.00252  1.000 36.02878 ? 251 HOH B O     1 
HETATM 2860 O  O     . HOH H 4 .   ? -10.94827 -34.43349 12.91965  1.000 61.39209 ? 252 HOH B O     1 
HETATM 2861 O  O     . HOH H 4 .   ? 4.47548   -23.31729 12.47908  1.000 45.14089 ? 253 HOH B O     1 
HETATM 2862 O  O     . HOH H 4 .   ? -14.12463 -10.93423 25.04507  1.000 41.50540 ? 254 HOH B O     1 
HETATM 2863 O  O     . HOH H 4 .   ? -23.67526 -9.33468  14.40383  1.000 45.15810 ? 255 HOH B O     1 
HETATM 2864 O  O     . HOH H 4 .   ? -20.88765 -7.84388  25.86872  1.000 48.95302 ? 256 HOH B O     1 
HETATM 2865 O  O     . HOH H 4 .   ? 7.74121   -14.45123 27.44382  1.000 53.92363 ? 257 HOH B O     1 
HETATM 2866 O  O     . HOH H 4 .   ? 3.56749   -34.30485 13.03830  1.000 56.83176 ? 258 HOH B O     1 
HETATM 2867 O  O     . HOH H 4 .   ? -19.36224 -4.90388  24.32493  1.000 43.06941 ? 259 HOH B O     1 
HETATM 2868 O  O     . HOH H 4 .   ? 2.59875   -19.95645 13.59260  1.000 48.31483 ? 260 HOH B O     1 
HETATM 2869 O  O     . HOH H 4 .   ? -8.59595  -40.42982 14.73738  1.000 54.99018 ? 261 HOH B O     1 
HETATM 2870 O  O     . HOH H 4 .   ? -6.54785  -21.15086 26.09774  1.000 37.55836 ? 262 HOH B O     1 
HETATM 2871 O  O     . HOH H 4 .   ? -4.459    -46.605   16.193    1.000 41.20967 ? 263 HOH B O     1 
HETATM 2872 O  O     . HOH H 4 .   ? 6.325     -21.077   14.277    1.000 46.80746 ? 264 HOH B O     1 
HETATM 2873 O  O     . HOH H 4 .   ? 11.08308  -4.86161  24.78501  1.000 60.90260 ? 265 HOH B O     1 
HETATM 2874 O  O     . HOH H 4 .   ? -13.34918 -33.46812 10.92824  1.000 42.39125 ? 266 HOH B O     1 
HETATM 2875 O  O     . HOH H 4 .   ? 7.11028   -37.28526 11.06500  1.000 61.02461 ? 267 HOH B O     1 
HETATM 2876 O  O     . HOH H 4 .   ? -4.970    -47.540   6.149     1.000 51.81566 ? 268 HOH B O     1 
HETATM 2877 O  O     . HOH H 4 .   ? -18.67640 -24.89848 -0.75725  1.000 51.21256 ? 269 HOH B O     1 
HETATM 2878 O  O     . HOH H 4 .   ? -10.80651 -29.57426 22.26490  1.000 48.54007 ? 270 HOH B O     1 
HETATM 2879 O  O     . HOH H 4 .   ? 3.18646   -36.45905 11.85618  1.000 66.50622 ? 271 HOH B O     1 
HETATM 2880 O  O     . HOH H 4 .   ? -12.37765 -10.38490 25.89621  1.000 60.74264 ? 272 HOH B O     1 
HETATM 2881 O  O     . HOH H 4 .   ? -7.104    -50.056   9.606     1.000 43.34186 ? 273 HOH B O     1 
HETATM 2882 O  O     . HOH H 4 .   ? -6.18862  -35.73497 20.62411  1.000 40.29617 ? 274 HOH B O     1 
HETATM 2883 O  O     . HOH H 4 .   ? -8.986    -47.618   3.897     1.000 55.49017 ? 275 HOH B O     1 
HETATM 2884 O  O     . HOH H 4 .   ? 2.92524   -32.63047 -7.69416  1.000 51.28170 ? 276 HOH B O     1 
HETATM 2885 O  O     . HOH H 4 .   ? 5.39855   -31.15048 -7.47905  1.000 52.16455 ? 277 HOH B O     1 
HETATM 2886 O  O     . HOH H 4 .   ? 4.97976   -38.52028 12.74257  1.000 70.28871 ? 278 HOH B O     1 
HETATM 2887 O  O     . HOH H 4 .   ? 5.80047   -39.07515 9.06920   1.000 65.28564 ? 279 HOH B O     1 
HETATM 2888 O  O     . HOH H 4 .   ? -19.19053 -32.73751 -7.98096  1.000 52.74050 ? 280 HOH B O     1 
HETATM 2889 O  O     . HOH H 4 .   ? -13.61410 -39.07891 15.75511  1.000 48.34493 ? 281 HOH B O     1 
HETATM 2890 O  O     . HOH H 4 .   ? -16.10628 -44.66630 1.77902   1.000 48.79358 ? 282 HOH B O     1 
HETATM 2891 O  O     . HOH H 4 .   ? 3.30969   -41.42678 15.74722  1.000 52.51087 ? 283 HOH B O     1 
HETATM 2892 O  O     . HOH I 4 .   ? 5.90533   -8.60965  3.60700   1.000 47.12834 ? 101 HOH D O     1 
HETATM 2893 O  O     . HOH I 4 .   ? 1.09728   16.74415  18.45292  1.000 42.77278 ? 102 HOH D O     1 
HETATM 2894 O  O     . HOH I 4 .   ? 13.61032  13.12898  15.55453  1.000 42.17128 ? 103 HOH D O     1 
HETATM 2895 O  O     . HOH I 4 .   ? 12.79561  5.79267   9.21866   1.000 29.25431 ? 104 HOH D O     1 
HETATM 2896 O  O     . HOH I 4 .   ? -7.86910  1.08153   23.26838  1.000 31.60600 ? 105 HOH D O     1 
HETATM 2897 O  O     . HOH I 4 .   ? -10.83986 9.41722   23.57491  1.000 29.11737 ? 106 HOH D O     1 
HETATM 2898 O  O     . HOH I 4 .   ? -10.11538 4.65225   23.26380  1.000 35.19458 ? 107 HOH D O     1 
HETATM 2899 O  O     . HOH I 4 .   ? 4.31979   15.82811  16.68688  1.000 35.89455 ? 108 HOH D O     1 
HETATM 2900 O  O     . HOH I 4 .   ? -5.53604  0.32086   26.37653  1.000 32.69245 ? 109 HOH D O     1 
HETATM 2901 O  O     . HOH I 4 .   ? 3.33479   4.45818   -0.99006  1.000 27.81155 ? 110 HOH D O     1 
HETATM 2902 O  O     . HOH I 4 .   ? 8.96415   -4.61399  -1.10289  1.000 33.29791 ? 111 HOH D O     1 
HETATM 2903 O  O     . HOH I 4 .   ? 17.77305  7.05755   13.65794  1.000 26.56256 ? 112 HOH D O     1 
HETATM 2904 O  O     . HOH I 4 .   ? 11.29452  -1.22397  -0.13546  1.000 37.56437 ? 113 HOH D O     1 
HETATM 2905 O  O     . HOH I 4 .   ? 8.77551   -1.11734  -3.85643  1.000 34.67635 ? 114 HOH D O     1 
HETATM 2906 O  O     . HOH I 4 .   ? 12.63198  0.96528   3.40583   1.000 39.10307 ? 115 HOH D O     1 
HETATM 2907 O  O     . HOH I 4 .   ? -1.77424  9.56109   18.11160  1.000 18.59029 ? 116 HOH D O     1 
HETATM 2908 O  O     . HOH I 4 .   ? 11.40639  5.27968   19.74795  1.000 32.24575 ? 117 HOH D O     1 
HETATM 2909 O  O     . HOH I 4 .   ? 17.78300  7.87898   16.40849  1.000 41.87122 ? 118 HOH D O     1 
HETATM 2910 O  O     . HOH I 4 .   ? 8.43825   -3.46147  7.30984   1.000 30.21631 ? 119 HOH D O     1 
HETATM 2911 O  O     . HOH I 4 .   ? 2.28730   18.57136  21.32786  1.000 45.39785 ? 120 HOH D O     1 
HETATM 2912 O  O     . HOH I 4 .   ? 10.32465  -2.34090  10.23255  1.000 28.87634 ? 121 HOH D O     1 
HETATM 2913 O  O     . HOH I 4 .   ? 11.61660  1.47801   16.21101  1.000 38.95350 ? 122 HOH D O     1 
HETATM 2914 O  O     . HOH I 4 .   ? 14.73370  8.63815   10.72612  1.000 34.35091 ? 123 HOH D O     1 
HETATM 2915 O  O     . HOH I 4 .   ? 10.72183  4.68210   7.81402   1.000 32.33355 ? 124 HOH D O     1 
HETATM 2916 O  O     . HOH I 4 .   ? 4.93182   11.39766  24.54887  1.000 24.25913 ? 125 HOH D O     1 
HETATM 2917 O  O     . HOH I 4 .   ? -1.47774  7.47709   19.94445  1.000 17.96335 ? 126 HOH D O     1 
HETATM 2918 O  O     . HOH I 4 .   ? -10.41035 0.85519   23.35692  1.000 31.19481 ? 127 HOH D O     1 
HETATM 2919 O  O     . HOH I 4 .   ? 2.21052   -5.53621  -5.52334  1.000 45.51830 ? 128 HOH D O     1 
HETATM 2920 O  O     . HOH I 4 .   ? -1.06166  -3.23535  -0.12401  1.000 34.40710 ? 129 HOH D O     1 
HETATM 2921 O  O     . HOH I 4 .   ? -6.26258  9.55215   28.30919  1.000 37.55580 ? 130 HOH D O     1 
HETATM 2922 O  O     . HOH I 4 .   ? 12.52674  1.36999   0.44831   1.000 34.89646 ? 131 HOH D O     1 
HETATM 2923 O  O     . HOH I 4 .   ? 12.09660  3.74199   4.26864   1.000 36.73929 ? 132 HOH D O     1 
HETATM 2924 O  O     . HOH I 4 .   ? 3.61615   7.57343   -2.34689  1.000 37.09451 ? 133 HOH D O     1 
HETATM 2925 O  O     . HOH I 4 .   ? -8.70146  12.58027  25.18692  1.000 43.10815 ? 134 HOH D O     1 
HETATM 2926 O  O     . HOH I 4 .   ? 4.922     -2.721    -4.966    1.000 40.78185 ? 135 HOH D O     1 
HETATM 2927 O  O     . HOH I 4 .   ? -5.73732  -2.40049  30.50680  1.000 41.18815 ? 136 HOH D O     1 
HETATM 2928 O  O     . HOH I 4 .   ? 1.39930   2.64733   0.04073   1.000 27.59405 ? 137 HOH D O     1 
HETATM 2929 O  O     . HOH I 4 .   ? 15.38938  8.29363   19.93568  1.000 45.95624 ? 138 HOH D O     1 
HETATM 2930 O  O     . HOH I 4 .   ? 6.02048   -6.05960  -3.28834  1.000 44.13491 ? 139 HOH D O     1 
HETATM 2931 O  O     . HOH I 4 .   ? 3.78536   15.83078  24.18280  1.000 44.90196 ? 140 HOH D O     1 
HETATM 2932 O  O     . HOH I 4 .   ? 15.53194  6.08806   18.97831  1.000 39.13419 ? 141 HOH D O     1 
HETATM 2933 O  O     . HOH I 4 .   ? 12.60439  -3.79090  0.48089   1.000 38.66519 ? 142 HOH D O     1 
HETATM 2934 O  O     . HOH I 4 .   ? 17.94147  10.37136  17.37020  1.000 47.63177 ? 143 HOH D O     1 
HETATM 2935 O  O     . HOH I 4 .   ? 2.43106   -1.66636  2.65462   1.000 22.74788 ? 144 HOH D O     1 
HETATM 2936 O  O     . HOH I 4 .   ? 9.93344   -4.67634  9.03129   1.000 41.14919 ? 145 HOH D O     1 
HETATM 2937 O  O     . HOH I 4 .   ? 5.14646   -4.86313  5.30911   1.000 36.11652 ? 146 HOH D O     1 
HETATM 2938 O  O     . HOH I 4 .   ? -3.76493  12.58182  26.57010  1.000 42.78877 ? 147 HOH D O     1 
HETATM 2939 O  O     . HOH I 4 .   ? 14.94580  10.81788  12.47467  1.000 41.83654 ? 148 HOH D O     1 
HETATM 2940 O  O     . HOH I 4 .   ? 2.07918   -7.38776  0.84814   1.000 52.58668 ? 149 HOH D O     1 
HETATM 2941 O  O     . HOH I 4 .   ? -1.36039  14.20624  25.03444  1.000 35.86903 ? 150 HOH D O     1 
HETATM 2942 O  O     . HOH I 4 .   ? 9.78104   12.50600  24.15377  1.000 42.84476 ? 151 HOH D O     1 
HETATM 2943 O  O     . HOH I 4 .   ? 13.54998  3.91808   18.15131  1.000 36.74340 ? 152 HOH D O     1 
HETATM 2944 O  O     . HOH I 4 .   ? 1.40185   -5.74419  2.76995   1.000 34.12760 ? 153 HOH D O     1 
HETATM 2945 O  O     . HOH I 4 .   ? 11.38255  -2.68438  -3.10811  1.000 50.09964 ? 154 HOH D O     1 
HETATM 2946 O  O     . HOH I 4 .   ? -7.71751  14.56835  26.06890  1.000 45.96946 ? 155 HOH D O     1 
HETATM 2947 O  O     . HOH I 4 .   ? -10.19926 15.23161  25.48031  1.000 49.39278 ? 156 HOH D O     1 
HETATM 2948 O  O     . HOH I 4 .   ? -9.58360  12.75884  28.24596  1.000 41.37073 ? 157 HOH D O     1 
HETATM 2949 O  O     . HOH J 4 .   ? 4.32261   -6.36267  17.40388  1.000 35.98237 ? 101 HOH E O     1 
HETATM 2950 O  O     . HOH J 4 .   ? 12.60007  -0.98000  25.72126  1.000 54.98616 ? 102 HOH E O     1 
HETATM 2951 O  O     . HOH J 4 .   ? -1.62130  10.11719  2.09164   1.000 34.54861 ? 103 HOH E O     1 
HETATM 2952 O  O     . HOH J 4 .   ? 4.56076   6.95143   30.96034  1.000 35.87921 ? 104 HOH E O     1 
HETATM 2953 O  O     . HOH J 4 .   ? 2.66061   7.04487   33.13046  1.000 32.14243 ? 105 HOH E O     1 
HETATM 2954 O  O     . HOH J 4 .   ? 9.98873   4.12930   21.76653  1.000 31.89586 ? 106 HOH E O     1 
HETATM 2955 O  O     . HOH J 4 .   ? 6.30564   -2.96253  22.04068  1.000 37.52703 ? 107 HOH E O     1 
HETATM 2956 O  O     . HOH J 4 .   ? 1.97477   3.07569   16.84745  1.000 28.14910 ? 108 HOH E O     1 
HETATM 2957 O  O     . HOH J 4 .   ? 6.55945   0.40928   27.34232  1.000 35.40747 ? 109 HOH E O     1 
HETATM 2958 O  O     . HOH J 4 .   ? 12.64287  15.58570  -2.43716  1.000 45.87291 ? 110 HOH E O     1 
HETATM 2959 O  O     . HOH J 4 .   ? -5.02516  -1.80654  5.99982   1.000 24.31368 ? 111 HOH E O     1 
HETATM 2960 O  O     . HOH J 4 .   ? 5.29517   -6.29692  20.14865  1.000 39.68839 ? 112 HOH E O     1 
HETATM 2961 O  O     . HOH J 4 .   ? 0.77451   12.08911  25.71284  1.000 26.82675 ? 113 HOH E O     1 
HETATM 2962 O  O     . HOH J 4 .   ? 0.45376   -9.07116  10.42778  1.000 56.48979 ? 114 HOH E O     1 
HETATM 2963 O  O     . HOH J 4 .   ? 4.44827   -2.16100  4.38736   1.000 22.48363 ? 115 HOH E O     1 
HETATM 2964 O  O     . HOH J 4 .   ? 1.02426   12.10839  4.94727   1.000 22.48993 ? 116 HOH E O     1 
HETATM 2965 O  O     . HOH J 4 .   ? 9.92104   -8.01630  15.13365  1.000 45.35102 ? 117 HOH E O     1 
HETATM 2966 O  O     . HOH J 4 .   ? 14.556    14.266    -3.901    1.000 39.38698 ? 118 HOH E O     1 
HETATM 2967 O  O     . HOH J 4 .   ? 2.94067   0.76973   1.63952   1.000 22.00429 ? 119 HOH E O     1 
HETATM 2968 O  O     . HOH J 4 .   ? 10.24914  5.74600   5.44523   1.000 35.51581 ? 120 HOH E O     1 
HETATM 2969 O  O     . HOH J 4 .   ? 10.55027  -1.51818  13.92996  1.000 42.83969 ? 121 HOH E O     1 
HETATM 2970 O  O     . HOH J 4 .   ? 12.61438  5.15835   1.68624   1.000 39.76515 ? 122 HOH E O     1 
HETATM 2971 O  O     . HOH J 4 .   ? 3.17610   3.12695   27.87241  1.000 38.98040 ? 123 HOH E O     1 
HETATM 2972 O  O     . HOH J 4 .   ? -2.07575  -6.01547  8.29702   1.000 40.23149 ? 124 HOH E O     1 
HETATM 2973 O  O     . HOH J 4 .   ? 5.91201   10.81888  31.85733  1.000 46.62055 ? 125 HOH E O     1 
HETATM 2974 O  O     . HOH J 4 .   ? 8.50545   8.57288   23.14346  1.000 40.61374 ? 126 HOH E O     1 
HETATM 2975 O  O     . HOH J 4 .   ? 5.43912   -6.04471  8.88344   1.000 36.19032 ? 127 HOH E O     1 
HETATM 2976 O  O     . HOH J 4 .   ? -2.49683  4.37605   -0.43949  1.000 38.31171 ? 128 HOH E O     1 
HETATM 2977 O  O     . HOH J 4 .   ? 6.93716   -3.73010  9.62848   1.000 31.71132 ? 129 HOH E O     1 
HETATM 2978 O  O     . HOH J 4 .   ? 0.13881   10.22822  -1.45654  1.000 35.92909 ? 130 HOH E O     1 
HETATM 2979 O  O     . HOH J 4 .   ? 8.63667   -2.96430  12.96375  1.000 29.26525 ? 131 HOH E O     1 
HETATM 2980 O  O     . HOH J 4 .   ? 3.48343   -8.85328  14.16726  1.000 34.72820 ? 132 HOH E O     1 
HETATM 2981 O  O     . HOH J 4 .   ? 3.17027   13.24404  24.79759  1.000 30.39410 ? 133 HOH E O     1 
HETATM 2982 O  O     . HOH J 4 .   ? 0.39231   -3.30173  2.28748   1.000 30.90079 ? 134 HOH E O     1 
HETATM 2983 O  O     . HOH J 4 .   ? -5.15797  11.12617  31.26600  1.000 39.53112 ? 135 HOH E O     1 
HETATM 2984 O  O     . HOH J 4 .   ? -3.19366  17.45274  27.11364  1.000 42.22112 ? 136 HOH E O     1 
HETATM 2985 O  O     . HOH J 4 .   ? -1.59922  -6.38346  6.13238   1.000 42.13835 ? 137 HOH E O     1 
HETATM 2986 O  O     . HOH J 4 .   ? 10.42923  15.51881  -2.37448  1.000 42.46424 ? 138 HOH E O     1 
HETATM 2987 O  O     . HOH J 4 .   ? -2.80670  7.15636   0.48439   1.000 39.39914 ? 139 HOH E O     1 
HETATM 2988 O  O     . HOH J 4 .   ? -1.07843  2.83104   -0.62318  1.000 37.49300 ? 140 HOH E O     1 
HETATM 2989 O  O     . HOH J 4 .   ? 10.98662  -6.36313  13.81816  1.000 50.87171 ? 141 HOH E O     1 
HETATM 2990 O  O     . HOH J 4 .   ? -5.42947  12.37571  27.78199  1.000 54.67819 ? 142 HOH E O     1 
HETATM 2991 O  O     . HOH J 4 .   ? 6.08024   15.89827  25.17428  1.000 43.60714 ? 143 HOH E O     1 
HETATM 2992 O  O     . HOH J 4 .   ? 13.910    0.181     28.596    1.000 47.28108 ? 144 HOH E O     1 
HETATM 2993 O  O     . HOH J 4 .   ? -7.27628  15.56389  27.75295  1.000 46.53133 ? 145 HOH E O     1 
HETATM 2994 O  O     . HOH K 4 .   ? -19.20219 -23.73837 2.56468   1.000 45.67888 ? 101 HOH C O     1 
HETATM 2995 O  O     . HOH K 4 .   ? -11.50028 -10.83807 0.34326   1.000 35.15681 ? 102 HOH C O     1 
HETATM 2996 O  O     . HOH K 4 .   ? -9.00972  -13.05736 -6.80311  1.000 38.44888 ? 103 HOH C O     1 
HETATM 2997 O  O     . HOH K 4 .   ? -21.27244 -19.64629 8.36273   1.000 36.29460 ? 104 HOH C O     1 
HETATM 2998 O  O     . HOH K 4 .   ? -8.66077  -25.74068 25.43786  1.000 41.98857 ? 105 HOH C O     1 
HETATM 2999 O  O     . HOH K 4 .   ? -18.72410 -19.70604 0.55398   1.000 39.56592 ? 106 HOH C O     1 
HETATM 3000 O  O     . HOH K 4 .   ? -12.27080 -14.70905 24.42641  1.000 29.52128 ? 107 HOH C O     1 
HETATM 3001 O  O     . HOH K 4 .   ? -16.25839 -26.45681 19.71155  1.000 28.09510 ? 108 HOH C O     1 
HETATM 3002 O  O     . HOH K 4 .   ? -3.90958  -15.05160 -0.70632  1.000 28.00528 ? 109 HOH C O     1 
HETATM 3003 O  O     . HOH K 4 .   ? -6.38008  -23.87829 25.42899  1.000 35.07724 ? 110 HOH C O     1 
HETATM 3004 O  O     . HOH K 4 .   ? -6.76959  -19.03114 24.65797  1.000 40.95862 ? 111 HOH C O     1 
HETATM 3005 O  O     . HOH K 4 .   ? -15.76695 -29.91232 8.82664   1.000 40.11014 ? 112 HOH C O     1 
HETATM 3006 O  O     . HOH K 4 .   ? -9.89697  -23.85832 15.48890  1.000 21.93382 ? 113 HOH C O     1 
HETATM 3007 O  O     . HOH K 4 .   ? -13.48079 -22.04960 9.53530   1.000 26.14199 ? 114 HOH C O     1 
HETATM 3008 O  O     . HOH K 4 .   ? -8.50478  -15.29600 23.32779  1.000 34.35664 ? 115 HOH C O     1 
HETATM 3009 O  O     . HOH K 4 .   ? -6.63070  -9.82039  -6.40087  1.000 43.10850 ? 116 HOH C O     1 
HETATM 3010 O  O     . HOH K 4 .   ? -19.39816 -31.56045 8.73336   1.000 50.38054 ? 117 HOH C O     1 
HETATM 3011 O  O     . HOH K 4 .   ? -19.23755 -15.40121 5.71993   1.000 39.45528 ? 118 HOH C O     1 
HETATM 3012 O  O     . HOH K 4 .   ? -19.12188 -25.85954 16.31586  1.000 31.70504 ? 119 HOH C O     1 
HETATM 3013 O  O     . HOH K 4 .   ? -15.50716 -12.14735 2.36891   1.000 38.83921 ? 120 HOH C O     1 
HETATM 3014 O  O     . HOH K 4 .   ? -1.18906  -11.69290 -6.53656  1.000 43.96194 ? 121 HOH C O     1 
HETATM 3015 O  O     . HOH K 4 .   ? -11.38803 -21.92126 16.59710  1.000 21.94906 ? 122 HOH C O     1 
HETATM 3016 O  O     . HOH K 4 .   ? -20.63152 -27.52103 3.79105   1.000 49.24696 ? 123 HOH C O     1 
HETATM 3017 O  O     . HOH K 4 .   ? -13.73722 -25.86380 23.60199  1.000 43.10317 ? 124 HOH C O     1 
HETATM 3018 O  O     . HOH K 4 .   ? -17.95529 -27.77828 17.65876  1.000 33.45469 ? 125 HOH C O     1 
HETATM 3019 O  O     . HOH K 4 .   ? -3.99293  -12.57870 0.69161   1.000 26.89337 ? 126 HOH C O     1 
HETATM 3020 O  O     . HOH K 4 .   ? 1.44479   -18.71487 -2.46870  1.000 43.74635 ? 127 HOH C O     1 
HETATM 3021 O  O     . HOH K 4 .   ? -8.07138  -9.77521  1.08652   1.000 34.75771 ? 128 HOH C O     1 
HETATM 3022 O  O     . HOH K 4 .   ? -12.06711 -23.93776 27.39930  1.000 47.46452 ? 129 HOH C O     1 
HETATM 3023 O  O     . HOH K 4 .   ? -17.66452 -21.54908 2.91918   1.000 40.79748 ? 130 HOH C O     1 
HETATM 3024 O  O     . HOH K 4 .   ? 1.29331   -18.55059 -5.38894  1.000 45.29579 ? 131 HOH C O     1 
HETATM 3025 O  O     . HOH K 4 .   ? -17.66795 -32.09481 10.14838  1.000 44.34830 ? 132 HOH C O     1 
HETATM 3026 O  O     . HOH K 4 .   ? -23.34116 -21.42626 8.73370   1.000 48.19635 ? 133 HOH C O     1 
HETATM 3027 O  O     . HOH K 4 .   ? -8.61586  -13.30348 26.71282  1.000 52.94817 ? 134 HOH C O     1 
HETATM 3028 O  O     . HOH K 4 .   ? 1.44632   -9.43494  1.94672   1.000 50.90314 ? 135 HOH C O     1 
HETATM 3029 O  O     . HOH K 4 .   ? -24.87192 -22.75483 -0.54211  1.000 56.95983 ? 136 HOH C O     1 
HETATM 3030 O  O     . HOH L 4 .   ? -16.90295 -7.91882  12.49944  1.000 22.02746 ? 101 HOH F O     1 
HETATM 3031 O  O     . HOH L 4 .   ? -6.23516  -5.47061  7.86801   1.000 49.99111 ? 102 HOH F O     1 
HETATM 3032 O  O     . HOH L 4 .   ? -24.77284 -25.40941 21.03610  1.000 41.60721 ? 103 HOH F O     1 
HETATM 3033 O  O     . HOH L 4 .   ? -22.06968 -15.11469 17.84546  1.000 35.27413 ? 104 HOH F O     1 
HETATM 3034 O  O     . HOH L 4 .   ? -4.31945  -8.45787  7.73015   1.000 43.63601 ? 105 HOH F O     1 
HETATM 3035 O  O     . HOH L 4 .   ? -4.15605  -30.92895 -4.93345  1.000 47.09177 ? 106 HOH F O     1 
HETATM 3036 O  O     . HOH L 4 .   ? -14.39557 -8.02108  11.26416  1.000 24.71482 ? 107 HOH F O     1 
HETATM 3037 O  O     . HOH L 4 .   ? -21.86978 -28.54545 24.18785  1.000 42.92822 ? 108 HOH F O     1 
HETATM 3038 O  O     . HOH L 4 .   ? -29.87383 -19.67446 16.65114  1.000 46.18658 ? 109 HOH F O     1 
HETATM 3039 O  O     . HOH L 4 .   ? -20.59190 -11.86894 15.77892  1.000 29.35919 ? 110 HOH F O     1 
HETATM 3040 O  O     . HOH L 4 .   ? -11.33324 -20.93888 -1.52530  1.000 42.10635 ? 111 HOH F O     1 
HETATM 3041 O  O     . HOH L 4 .   ? -11.96586 -17.56621 11.85190  1.000 28.19439 ? 112 HOH F O     1 
HETATM 3042 O  O     . HOH L 4 .   ? -15.04539 -11.83025 5.13857   1.000 33.31540 ? 113 HOH F O     1 
HETATM 3043 O  O     . HOH L 4 .   ? -3.24217  -28.24402 -7.26584  1.000 42.09051 ? 114 HOH F O     1 
HETATM 3044 O  O     . HOH L 4 .   ? -2.86459  -23.40216 -6.78697  1.000 36.10816 ? 115 HOH F O     1 
HETATM 3045 O  O     . HOH L 4 .   ? -6.55611  -12.18449 0.83901   1.000 26.94877 ? 116 HOH F O     1 
HETATM 3046 O  O     . HOH L 4 .   ? -2.38392  -18.91793 -2.63715  1.000 29.27855 ? 117 HOH F O     1 
HETATM 3047 O  O     . HOH L 4 .   ? -3.89100  -26.44821 3.45594   1.000 31.95622 ? 118 HOH F O     1 
HETATM 3048 O  O     . HOH L 4 .   ? -20.77504 -15.69417 8.76997   1.000 46.16956 ? 119 HOH F O     1 
HETATM 3049 O  O     . HOH L 4 .   ? -0.16831  -12.00551 7.97963   1.000 30.58521 ? 120 HOH F O     1 
HETATM 3050 O  O     . HOH L 4 .   ? -20.45034 -18.02592 19.64490  1.000 39.98952 ? 121 HOH F O     1 
HETATM 3051 O  O     . HOH L 4 .   ? -10.65129 -8.21118  4.06055   1.000 38.18995 ? 122 HOH F O     1 
HETATM 3052 O  O     . HOH L 4 .   ? -2.48033  -8.15543  5.13387   1.000 52.26143 ? 123 HOH F O     1 
HETATM 3053 O  O     . HOH L 4 .   ? -2.05556  -11.11302 1.66649   1.000 35.15602 ? 124 HOH F O     1 
HETATM 3054 O  O     . HOH L 4 .   ? -13.38256 -7.90759  3.92140   1.000 51.51824 ? 125 HOH F O     1 
HETATM 3055 O  O     . HOH L 4 .   ? 0.75220   -24.51700 -0.85389  1.000 45.79940 ? 126 HOH F O     1 
HETATM 3056 O  O     . HOH L 4 .   ? -2.31791  -29.65412 -3.70355  1.000 46.04408 ? 127 HOH F O     1 
HETATM 3057 O  O     . HOH L 4 .   ? -21.59119 -22.75063 12.80674  1.000 46.55769 ? 128 HOH F O     1 
HETATM 3058 O  O     . HOH L 4 .   ? -24.58164 -28.61080 14.55495  1.000 46.42932 ? 129 HOH F O     1 
HETATM 3059 O  O     . HOH L 4 .   ? -21.87405 -18.73542 10.96820  1.000 30.63917 ? 130 HOH F O     1 
HETATM 3060 O  O     . HOH L 4 .   ? -17.19427 -12.77145 4.25243   1.000 46.26252 ? 131 HOH F O     1 
HETATM 3061 O  O     . HOH L 4 .   ? -15.734   -25.706   27.783    1.000 46.35915 ? 132 HOH F O     1 
HETATM 3062 O  O     . HOH L 4 .   ? -11.74851 -5.45486  8.88324   1.000 30.70472 ? 133 HOH F O     1 
HETATM 3063 O  O     . HOH L 4 .   ? -8.07281  -5.36432  3.62371   1.000 55.97038 ? 134 HOH F O     1 
HETATM 3064 O  O     . HOH L 4 .   ? -27.72580 -27.43864 21.61539  1.000 57.53031 ? 135 HOH F O     1 
HETATM 3065 O  O     . HOH L 4 .   ? 1.39398   -9.95654  5.72269   1.000 42.19668 ? 136 HOH F O     1 
HETATM 3066 O  O     . HOH L 4 .   ? -14.62279 -28.15543 20.64266  1.000 37.76198 ? 137 HOH F O     1 
HETATM 3067 O  O     . HOH L 4 .   ? 0.03558   -20.04622 -2.30544  1.000 44.50122 ? 138 HOH F O     1 
HETATM 3068 O  O     . HOH L 4 .   ? -2.51707  -31.74523 -3.62628  1.000 49.58718 ? 139 HOH F O     1 
HETATM 3069 O  O     . HOH L 4 .   ? -23.53146 -16.63153 9.70091   1.000 42.29351 ? 140 HOH F O     1 
HETATM 3070 O  O     . HOH L 4 .   ? -11.95745 -28.02957 27.36878  1.000 48.71392 ? 141 HOH F O     1 
HETATM 3071 O  O     . HOH L 4 .   ? -24.17441 -33.92010 16.89129  1.000 54.50862 ? 142 HOH F O     1 
HETATM 3072 O  O     . HOH L 4 .   ? -22.74631 -37.88678 19.10161  1.000 51.66683 ? 143 HOH F O     1 
HETATM 3073 O  O     . HOH L 4 .   ? 2.73427   -23.01120 -4.51632  1.000 54.55446 ? 144 HOH F 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    N  N     . MET A 4   ? 1.09780 0.81445 0.44612 -0.05945 0.10596  0.26018  4   MET A N     
2    C  CA    . MET A 4   ? 1.08388 0.81212 0.44105 -0.05275 0.08264  0.23187  4   MET A CA    
3    C  C     . MET A 4   ? 1.01686 0.72969 0.44177 -0.03613 0.09076  0.21642  4   MET A C     
4    O  O     . MET A 4   ? 0.98612 0.70753 0.43206 -0.02540 0.06658  0.20381  4   MET A O     
5    C  CB    . MET A 4   ? 1.09253 0.82164 0.39491 -0.06888 0.09795  0.19024  4   MET A CB    
6    C  CG    . MET A 4   ? 1.15792 0.86402 0.45732 -0.07371 0.15253  0.16480  4   MET A CG    
7    S  SD    . MET A 4   ? 1.35046 1.04185 0.62040 -0.08188 0.17679  0.11008  4   MET A SD    
8    C  CE    . MET A 4   ? 0.98723 0.67809 0.34639 -0.05900 0.20201  0.09091  4   MET A CE    
9    N  N     . ARG A 5   ? 0.93199 0.62678 0.39452 -0.03494 0.12365  0.21964  5   ARG A N     
10   C  CA    . ARG A 5   ? 0.98834 0.67651 0.51434 -0.02452 0.13641  0.20301  5   ARG A CA    
11   C  C     . ARG A 5   ? 0.86224 0.53095 0.44331 -0.02213 0.13937  0.22622  5   ARG A C     
12   O  O     . ARG A 5   ? 0.90293 0.56170 0.48124 -0.03107 0.14909  0.25142  5   ARG A O     
13   C  CB    . ARG A 5   ? 0.98815 0.68783 0.52972 -0.02954 0.17635  0.17614  5   ARG A CB    
14   C  CG    . ARG A 5   ? 0.92577 0.63433 0.43659 -0.02733 0.17306  0.14350  5   ARG A CG    
15   C  CD    . ARG A 5   ? 0.95168 0.68053 0.53007 -0.01706 0.18596  0.12033  5   ARG A CD    
16   N  NE    . ARG A 5   ? 0.93063 0.67187 0.56158 -0.01828 0.22729  0.12695  5   ARG A NE    
17   C  CZ    . ARG A 5   ? 0.89993 0.65460 0.55475 -0.01256 0.26084  0.11098  5   ARG A CZ    
18   N  NH1   . ARG A 5   ? 0.75154 0.49772 0.37810 -0.00704 0.26078  0.08374  5   ARG A NH1   
19   N  NH2   . ARG A 5   ? 0.85644 0.63646 0.57626 -0.01212 0.29154  0.12359  5   ARG A NH2   
20   N  N     . VAL A 6   ? 0.85912 0.53596 0.50467 -0.01334 0.12455  0.20738  6   VAL A N     
21   C  CA    . VAL A 6   ? 0.91279 0.56410 0.60535 -0.00880 0.11471  0.21828  6   VAL A CA    
22   C  C     . VAL A 6   ? 0.74397 0.40752 0.49716 -0.02064 0.12347  0.19027  6   VAL A C     
23   O  O     . VAL A 6   ? 0.68144 0.37872 0.45291 -0.01756 0.11531  0.16194  6   VAL A O     
24   C  CB    . VAL A 6   ? 1.01532 0.66523 0.71510 0.01326  0.08268  0.22118  6   VAL A CB    
25   C  CG1   . VAL A 6   ? 0.89741 0.50343 0.62880 0.02211  0.08404  0.24471  6   VAL A CG1   
26   C  CG2   . VAL A 6   ? 1.00588 0.67278 0.64690 0.01925  0.06229  0.24236  6   VAL A CG2   
27   N  N     . LYS A 7   ? 0.78856 0.42613 0.57123 -0.03817 0.13823  0.20059  7   LYS A N     
28   C  CA    . LYS A 7   ? 0.72759 0.37880 0.56285 -0.05932 0.13992  0.17761  7   LYS A CA    
29   C  C     . LYS A 7   ? 0.74913 0.35153 0.60003 -0.06201 0.13076  0.16807  7   LYS A C     
30   O  O     . LYS A 7   ? 0.80996 0.35792 0.65231 -0.06077 0.14051  0.19064  7   LYS A O     
31   C  CB    . LYS A 7   ? 0.75762 0.42168 0.61807 -0.08760 0.16525  0.19300  7   LYS A CB    
32   C  CG    . LYS A 7   ? 0.70901 0.41104 0.62563 -0.11467 0.16063  0.17541  7   LYS A CG    
33   C  CD    . LYS A 7   ? 0.77351 0.50807 0.72854 -0.14127 0.18508  0.19782  7   LYS A CD    
34   C  CE    . LYS A 7   ? 0.74616 0.54294 0.71995 -0.12684 0.20225  0.20265  7   LYS A CE    
35   N  NZ    . LYS A 7   ? 0.82652 0.63624 0.80896 -0.13408 0.23737  0.23043  7   LYS A NZ    
36   N  N     . VAL A 8   ? 0.70871 0.32532 0.57905 -0.06432 0.11608  0.13577  8   VAL A N     
37   C  CA    . VAL A 8   ? 0.77062 0.33809 0.64382 -0.05767 0.11202  0.11981  8   VAL A CA    
38   C  C     . VAL A 8   ? 0.73498 0.30598 0.62662 -0.09290 0.10916  0.08668  8   VAL A C     
39   O  O     . VAL A 8   ? 0.67437 0.30721 0.58182 -0.10792 0.09787  0.07640  8   VAL A O     
40   C  CB    . VAL A 8   ? 0.70198 0.28426 0.56568 -0.02005 0.09576  0.11580  8   VAL A CB    
41   C  CG1   . VAL A 8   ? 0.66206 0.30710 0.53029 -0.01962 0.07970  0.09155  8   VAL A CG1   
42   C  CG2   . VAL A 8   ? 0.77315 0.30168 0.64752 -0.00637 0.10184  0.10583  8   VAL A CG2   
43   N  N     . ASN A 9   ? 0.78728 0.28940 0.67521 -0.10941 0.12126  0.07289  9   ASN A N     
44   C  CA    . ASN A 9   ? 0.80782 0.30285 0.69769 -0.15686 0.11894  0.04187  9   ASN A CA    
45   C  C     . ASN A 9   ? 0.76943 0.29212 0.65103 -0.15275 0.10328  0.00894  9   ASN A C     
46   O  O     . ASN A 9   ? 0.74368 0.26893 0.62099 -0.11183 0.10110  0.00657  9   ASN A O     
47   C  CB    . ASN A 9   ? 0.96191 0.37276 0.84221 -0.17613 0.13887  0.03188  9   ASN A CB    
48   C  CG    . ASN A 9   ? 1.08721 0.45059 0.95671 -0.14320 0.14934  0.01206  9   ASN A CG    
49   O  OD1   . ASN A 9   ? 1.12328 0.47342 1.00168 -0.09645 0.15581  0.03584  9   ASN A OD1   
50   N  ND2   . ASN A 9   ? 1.11009 0.45659 0.96206 -0.16817 0.15095  -0.02791 9   ASN A ND2   
51   N  N     . GLU A 10  ? 0.90940 0.45870 0.78974 -0.19973 0.09051  -0.01271 10  GLU A N     
52   C  CA    . GLU A 10  ? 0.76405 0.37153 0.64212 -0.20101 0.06896  -0.03175 10  GLU A CA    
53   C  C     . GLU A 10  ? 0.79387 0.34693 0.63880 -0.18749 0.07958  -0.06469 10  GLU A C     
54   O  O     . GLU A 10  ? 0.80954 0.39638 0.65731 -0.15415 0.07166  -0.06815 10  GLU A O     
55   C  CB    . GLU A 10  ? 0.80532 0.46291 0.69191 -0.25988 0.04857  -0.03671 10  GLU A CB    
56   C  CG    . GLU A 10  ? 0.85832 0.57870 0.74155 -0.26763 0.02394  -0.04960 10  GLU A CG    
57   C  CD    . GLU A 10  ? 0.88913 0.66714 0.78406 -0.33070 -0.00171 -0.04480 10  GLU A CD    
58   O  OE1   . GLU A 10  ? 0.92111 0.79396 0.86264 -0.32812 -0.02256 -0.01647 10  GLU A OE1   
59   O  OE2   . GLU A 10  ? 0.93156 0.67612 0.79987 -0.36128 -0.00021 -0.06278 10  GLU A OE2   
60   N  N     . LYS A 11  ? 0.84591 0.32431 0.66535 -0.20773 0.09972  -0.08692 11  LYS A N     
61   C  CA    . LYS A 11  ? 1.00423 0.45210 0.79971 -0.19150 0.11375  -0.11649 11  LYS A CA    
62   C  C     . LYS A 11  ? 0.93734 0.36333 0.75208 -0.12983 0.13041  -0.10308 11  LYS A C     
63   O  O     . LYS A 11  ? 0.99969 0.44111 0.81147 -0.10749 0.13223  -0.11666 11  LYS A O     
64   C  CB    . LYS A 11  ? 0.98191 0.37025 0.75323 -0.21757 0.13408  -0.13652 11  LYS A CB    
65   N  N     . GLN A 12  ? 0.86128 0.26317 0.69963 -0.10277 0.13943  -0.07039 12  GLN A N     
66   C  CA    . GLN A 12  ? 0.84199 0.24131 0.70656 -0.04561 0.14665  -0.04428 12  GLN A CA    
67   C  C     . GLN A 12  ? 0.85351 0.31834 0.72731 -0.02101 0.12324  -0.03182 12  GLN A C     
68   O  O     . GLN A 12  ? 0.84515 0.32362 0.73323 0.01327  0.12475  -0.03159 12  GLN A O     
69   C  CB    . GLN A 12  ? 1.02295 0.39571 0.90504 -0.03067 0.15414  -0.00560 12  GLN A CB    
70   C  CG    . GLN A 12  ? 1.04634 0.43589 0.95642 0.02202  0.15133  0.03034  12  GLN A CG    
71   C  CD    . GLN A 12  ? 1.13173 0.52909 1.04480 0.02951  0.14278  0.07481  12  GLN A CD    
72   O  OE1   . GLN A 12  ? 1.08862 0.51254 1.01682 0.06414  0.13157  0.11098  12  GLN A OE1   
73   N  NE2   . GLN A 12  ? 1.14701 0.52525 1.04561 -0.00698 0.14755  0.07472  12  GLN A NE2   
74   N  N     . PHE A 13  ? 0.70499 0.23326 0.58057 -0.03533 0.09891  -0.01804 13  PHE A N     
75   C  CA    . PHE A 13  ? 0.69142 0.29348 0.57711 -0.01097 0.07592  -0.00711 13  PHE A CA    
76   C  C     . PHE A 13  ? 0.58146 0.22222 0.46331 -0.02040 0.06497  -0.03565 13  PHE A C     
77   O  O     . PHE A 13  ? 0.58130 0.26566 0.47238 0.00356  0.05237  -0.03204 13  PHE A O     
78   C  CB    . PHE A 13  ? 0.63890 0.28712 0.52616 -0.01885 0.06360  0.01488  13  PHE A CB    
79   C  CG    . PHE A 13  ? 0.56991 0.27078 0.45711 0.00681  0.04762  0.02635  13  PHE A CG    
80   C  CD1   . PHE A 13  ? 0.58139 0.27658 0.46548 0.03727  0.04321  0.04726  13  PHE A CD1   
81   C  CD2   . PHE A 13  ? 0.56571 0.32127 0.45749 -0.00206 0.03690  0.01790  13  PHE A CD2   
82   C  CE1   . PHE A 13  ? 0.61621 0.35663 0.49142 0.05074  0.02625  0.05398  13  PHE A CE1   
83   C  CE2   . PHE A 13  ? 0.50872 0.29881 0.39398 0.01663  0.02702  0.02328  13  PHE A CE2   
84   C  CZ    . PHE A 13  ? 0.57983 0.36097 0.45182 0.03939  0.02052  0.03812  13  PHE A CZ    
85   N  N     . ASP A 14  ? 0.71625 0.34213 0.58072 -0.05944 0.06818  -0.06232 14  ASP A N     
86   C  CA    . ASP A 14  ? 0.68607 0.33899 0.53744 -0.07067 0.06061  -0.08807 14  ASP A CA    
87   C  C     . ASP A 14  ? 0.65409 0.27659 0.50452 -0.03833 0.07912  -0.10066 14  ASP A C     
88   O  O     . ASP A 14  ? 0.70893 0.37304 0.56179 -0.02846 0.07039  -0.10816 14  ASP A O     
89   C  CB    . ASP A 14  ? 0.73719 0.37047 0.55705 -0.12601 0.06065  -0.11362 14  ASP A CB    
90   C  CG    . ASP A 14  ? 0.67507 0.37718 0.51162 -0.15886 0.03366  -0.09650 14  ASP A CG    
91   O  OD1   . ASP A 14  ? 0.77509 0.54364 0.64229 -0.13679 0.01802  -0.07446 14  ASP A OD1   
92   O  OD2   . ASP A 14  ? 0.77216 0.46147 0.59439 -0.20805 0.03014  -0.10371 14  ASP A OD2   
93   N  N     . MET A 15  ? 0.69952 0.25160 0.55397 -0.01955 0.10753  -0.09853 15  MET A N     
94   C  CA    . MET A 15  ? 0.75006 0.28835 0.62494 0.01914  0.12751  -0.09881 15  MET A CA    
95   C  C     . MET A 15  ? 0.77295 0.37395 0.68296 0.05758  0.10679  -0.07004 15  MET A C     
96   O  O     . MET A 15  ? 0.67927 0.30826 0.60387 0.07569  0.10902  -0.07603 15  MET A O     
97   C  CB    . MET A 15  ? 0.75590 0.24203 0.64997 0.03582  0.15308  -0.08507 15  MET A CB    
98   C  CG    . MET A 15  ? 0.96560 0.39816 0.82582 -0.00364 0.17170  -0.11111 15  MET A CG    
99   S  SD    . MET A 15  ? 1.17763 0.54400 1.05670 0.02043  0.21475  -0.10712 15  MET A SD    
100  C  CE    . MET A 15  ? 0.91657 0.32661 0.85386 0.08020  0.21763  -0.07814 15  MET A CE    
101  N  N     . ILE A 16  ? 0.66279 0.29187 0.58362 0.06532  0.08564  -0.03832 16  ILE A N     
102  C  CA    . ILE A 16  ? 0.59695 0.28989 0.53754 0.08898  0.06036  -0.01366 16  ILE A CA    
103  C  C     . ILE A 16  ? 0.58483 0.33481 0.51459 0.07266  0.04064  -0.03119 16  ILE A C     
104  O  O     . ILE A 16  ? 0.55881 0.34983 0.50428 0.08806  0.02993  -0.02811 16  ILE A O     
105  C  CB    . ILE A 16  ? 0.61235 0.31069 0.54891 0.09334  0.04698  0.02046  16  ILE A CB    
106  C  CG1   . ILE A 16  ? 0.65935 0.30916 0.61664 0.11745  0.06406  0.04957  16  ILE A CG1   
107  C  CG2   . ILE A 16  ? 0.54049 0.30062 0.47649 0.10290  0.01910  0.03784  16  ILE A CG2   
108  C  CD1   . ILE A 16  ? 0.64035 0.26474 0.58016 0.10746  0.06398  0.07439  16  ILE A CD1   
109  N  N     . ILE A 17  ? 0.54791 0.30388 0.45724 0.04080  0.03587  -0.04525 17  ILE A N     
110  C  CA    . ILE A 17  ? 0.54237 0.35240 0.44995 0.02807  0.01912  -0.05322 17  ILE A CA    
111  C  C     . ILE A 17  ? 0.54539 0.36399 0.45068 0.02678  0.02369  -0.07455 17  ILE A C     
112  O  O     . ILE A 17  ? 0.49618 0.35655 0.41223 0.03633  0.01296  -0.07270 17  ILE A O     
113  C  CB    . ILE A 17  ? 0.59794 0.42007 0.49863 -0.00413 0.01396  -0.05390 17  ILE A CB    
114  C  CG1   . ILE A 17  ? 0.50515 0.33564 0.41166 0.00118  0.01204  -0.03042 17  ILE A CG1   
115  C  CG2   . ILE A 17  ? 0.49884 0.37258 0.40475 -0.01821 0.00050  -0.05945 17  ILE A CG2   
116  C  CD1   . ILE A 17  ? 0.51770 0.37514 0.43509 -0.02464 0.00990  -0.02347 17  ILE A CD1   
117  N  N     . ASP A 18  ? 0.52561 0.29863 0.41156 0.01217  0.04345  -0.09649 18  ASP A N     
118  C  CA    . ASP A 18  ? 0.49009 0.26433 0.36205 0.00717  0.05445  -0.11945 18  ASP A CA    
119  C  C     . ASP A 18  ? 0.51740 0.30110 0.42090 0.04585  0.06554  -0.11166 18  ASP A C     
120  O  O     . ASP A 18  ? 0.52460 0.33798 0.42914 0.04718  0.06658  -0.12020 18  ASP A O     
121  C  CB    . ASP A 18  ? 0.59701 0.30579 0.42809 -0.02114 0.08026  -0.14968 18  ASP A CB    
122  C  CG    . ASP A 18  ? 0.69450 0.40508 0.49659 -0.06913 0.06386  -0.15540 18  ASP A CG    
123  O  OD1   . ASP A 18  ? 0.58069 0.35509 0.39839 -0.07896 0.03460  -0.13666 18  ASP A OD1   
124  O  OD2   . ASP A 18  ? 0.74842 0.41007 0.52576 -0.09373 0.07878  -0.16980 18  ASP A OD2   
125  N  N     . LYS A 19  ? 0.51180 0.27666 0.44544 0.07604  0.07278  -0.09032 19  LYS A N     
126  C  CA    . LYS A 19  ? 0.51200 0.30453 0.48984 0.11160  0.07604  -0.07179 19  LYS A CA    
127  C  C     . LYS A 19  ? 0.41111 0.27357 0.40059 0.11124  0.04339  -0.05861 19  LYS A C     
128  O  O     . LYS A 19  ? 0.43914 0.33713 0.45052 0.12049  0.04385  -0.05868 19  LYS A O     
129  C  CB    . LYS A 19  ? 0.60013 0.37051 0.61179 0.14101  0.08196  -0.03998 19  LYS A CB    
130  C  CG    . LYS A 19  ? 0.64563 0.47207 0.71053 0.17183  0.06766  -0.00612 19  LYS A CG    
131  C  CD    . LYS A 19  ? 0.79599 0.62391 0.88752 0.19266  0.05511  0.03769  19  LYS A CD    
132  C  CE    . LYS A 19  ? 0.69546 0.50991 0.74082 0.16918  0.03495  0.04028  19  LYS A CE    
133  N  NZ    . LYS A 19  ? 0.70563 0.56000 0.75759 0.17643  0.00343  0.08136  19  LYS A NZ    
134  N  N     . LEU A 20  ? 0.38556 0.26308 0.35932 0.09886  0.01963  -0.04833 20  LEU A N     
135  C  CA    . LEU A 20  ? 0.35217 0.27903 0.32840 0.09554  -0.00494 -0.03956 20  LEU A CA    
136  C  C     . LEU A 20  ? 0.40895 0.35960 0.37643 0.07898  -0.00617 -0.05772 20  LEU A C     
137  O  O     . LEU A 20  ? 0.38692 0.37258 0.36899 0.08211  -0.01468 -0.05493 20  LEU A O     
138  C  CB    . LEU A 20  ? 0.33966 0.26273 0.29407 0.08603  -0.01798 -0.02821 20  LEU A CB    
139  C  CG    . LEU A 20  ? 0.42480 0.33052 0.38078 0.09955  -0.02135 -0.00304 20  LEU A CG    
140  C  CD1   . LEU A 20  ? 0.35723 0.25582 0.28114 0.08612  -0.02776 0.00482  20  LEU A CD1   
141  C  CD2   . LEU A 20  ? 0.43049 0.37079 0.41250 0.11644  -0.03686 0.01894  20  LEU A CD2   
142  N  N     . LYS A 21  ? 0.33690 0.27163 0.28145 0.05798  0.00037  -0.07266 21  LYS A N     
143  C  CA    . LYS A 21  ? 0.33889 0.30039 0.27469 0.04058  -0.00315 -0.08227 21  LYS A CA    
144  C  C     . LYS A 21  ? 0.43601 0.40187 0.37531 0.04669  0.01136  -0.09389 21  LYS A C     
145  O  O     . LYS A 21  ? 0.36219 0.36123 0.30542 0.04175  0.00612  -0.09283 21  LYS A O     
146  C  CB    . LYS A 21  ? 0.35779 0.30909 0.26875 0.01146  -0.00379 -0.09017 21  LYS A CB    
147  C  CG    . LYS A 21  ? 0.36747 0.32538 0.28499 0.00385  -0.01426 -0.07502 21  LYS A CG    
148  C  CD    . LYS A 21  ? 0.31262 0.29170 0.22205 -0.02809 -0.02303 -0.07327 21  LYS A CD    
149  C  CE    . LYS A 21  ? 0.36805 0.30922 0.24471 -0.05499 -0.01522 -0.09255 21  LYS A CE    
150  N  NZ    . LYS A 21  ? 0.42631 0.39926 0.29335 -0.09545 -0.03186 -0.08648 21  LYS A NZ    
151  N  N     . LEU A 22  ? 0.37878 0.30792 0.31923 0.05873  0.03486  -0.10326 22  LEU A N     
152  C  CA    . LEU A 22  ? 0.42124 0.35072 0.37007 0.06900  0.05907  -0.11376 22  LEU A CA    
153  C  C     . LEU A 22  ? 0.31893 0.29909 0.31364 0.08918  0.04859  -0.09419 22  LEU A C     
154  O  O     . LEU A 22  ? 0.39977 0.40524 0.39952 0.08648  0.05692  -0.09870 22  LEU A O     
155  C  CB    . LEU A 22  ? 0.44218 0.31576 0.39573 0.08592  0.09423  -0.12288 22  LEU A CB    
156  C  CG    . LEU A 22  ? 0.50714 0.36798 0.47018 0.09984  0.13395  -0.13620 22  LEU A CG    
157  C  CD1   . LEU A 22  ? 0.66049 0.53515 0.57580 0.06871  0.13565  -0.15662 22  LEU A CD1   
158  C  CD2   . LEU A 22  ? 0.53368 0.33791 0.49526 0.10628  0.16086  -0.14037 22  LEU A CD2   
159  N  N     . MET A 23  ? 0.33121 0.32769 0.35520 0.10432  0.02927  -0.07140 23  MET A N     
160  C  CA    . MET A 23  ? 0.35579 0.40312 0.41765 0.11291  0.01252  -0.05250 23  MET A CA    
161  C  C     . MET A 23  ? 0.29372 0.36772 0.33976 0.09177  -0.00258 -0.05802 23  MET A C     
162  O  O     . MET A 23  ? 0.23873 0.34841 0.30990 0.09140  -0.00462 -0.05221 23  MET A O     
163  C  CB    . MET A 23  ? 0.35425 0.41178 0.43081 0.12138  -0.01113 -0.02797 23  MET A CB    
164  C  CG    . MET A 23  ? 0.41978 0.44955 0.51574 0.14412  0.00166  -0.01304 23  MET A CG    
165  S  SD    . MET A 23  ? 0.48268 0.53516 0.58686 0.14798  -0.03276 0.02354  23  MET A SD    
166  C  CE    . MET A 23  ? 0.50234 0.63074 0.66013 0.15056  -0.05374 0.04752  23  MET A CE    
167  N  N     . VAL A 24  ? 0.27733 0.33562 0.28909 0.07479  -0.01092 -0.06519 24  VAL A N     
168  C  CA    . VAL A 24  ? 0.24327 0.32213 0.24847 0.05954  -0.02053 -0.06423 24  VAL A CA    
169  C  C     . VAL A 24  ? 0.25247 0.34151 0.24814 0.04921  -0.00777 -0.07219 24  VAL A C     
170  O  O     . VAL A 24  ? 0.25053 0.36443 0.25622 0.04306  -0.01028 -0.06604 24  VAL A O     
171  C  CB    . VAL A 24  ? 0.24246 0.30708 0.22835 0.04998  -0.02934 -0.06128 24  VAL A CB    
172  C  CG1   . VAL A 24  ? 0.20381 0.28449 0.19427 0.04069  -0.03316 -0.05480 24  VAL A CG1   
173  C  CG2   . VAL A 24  ? 0.24927 0.29846 0.23124 0.05724  -0.03751 -0.05486 24  VAL A CG2   
174  N  N     . TYR A 25  ? 0.23153 0.29742 0.20101 0.04289  0.00714  -0.08620 25  TYR A N     
175  C  CA    . TYR A 25  ? 0.30418 0.37685 0.24990 0.02802  0.02128  -0.09575 25  TYR A CA    
176  C  C     . TYR A 25  ? 0.34505 0.43749 0.31854 0.04195  0.03875  -0.09466 25  TYR A C     
177  O  O     . TYR A 25  ? 0.36561 0.48339 0.33587 0.03155  0.04143  -0.08998 25  TYR A O     
178  C  CB    . TYR A 25  ? 0.39729 0.43018 0.29833 0.01347  0.03955  -0.11792 25  TYR A CB    
179  C  CG    . TYR A 25  ? 0.45906 0.47042 0.33469 -0.00512 0.02609  -0.12075 25  TYR A CG    
180  C  CD1   . TYR A 25  ? 0.32661 0.36529 0.21435 -0.01342 -0.00037 -0.10092 25  TYR A CD1   
181  C  CD2   . TYR A 25  ? 0.51473 0.47544 0.35637 -0.01603 0.04496  -0.14311 25  TYR A CD2   
182  C  CE1   . TYR A 25  ? 0.30440 0.33177 0.17849 -0.03155 -0.01068 -0.09954 25  TYR A CE1   
183  C  CE2   . TYR A 25  ? 0.50395 0.44675 0.32448 -0.03876 0.03255  -0.14506 25  TYR A CE2   
184  C  CZ    . TYR A 25  ? 0.37726 0.35932 0.21735 -0.04654 0.00318  -0.12147 25  TYR A CZ    
185  O  OH    . TYR A 25  ? 0.45795 0.43041 0.28656 -0.07006 -0.00764 -0.11946 25  TYR A OH    
186  N  N     . GLU A 26  ? 0.29196 0.37778 0.29955 0.06596  0.05128  -0.09337 26  GLU A N     
187  C  CA    . GLU A 26  ? 0.26641 0.38016 0.31586 0.08148  0.07060  -0.08666 26  GLU A CA    
188  C  C     . GLU A 26  ? 0.25847 0.42022 0.34499 0.07817  0.04612  -0.06647 26  GLU A C     
189  O  O     . GLU A 26  ? 0.27501 0.46805 0.38390 0.07585  0.05731  -0.06068 26  GLU A O     
190  C  CB    . GLU A 26  ? 0.38306 0.48259 0.47212 0.11098  0.09047  -0.08160 26  GLU A CB    
191  C  CG    . GLU A 26  ? 0.50622 0.54146 0.55459 0.11188  0.12244  -0.10590 26  GLU A CG    
192  C  CD    . GLU A 26  ? 0.48575 0.49729 0.57992 0.14575  0.14626  -0.09558 26  GLU A CD    
193  O  OE1   . GLU A 26  ? 0.62413 0.65864 0.75960 0.16089  0.11946  -0.06833 26  GLU A OE1   
194  O  OE2   . GLU A 26  ? 0.59894 0.57148 0.67854 0.14868  0.17904  -0.10879 26  GLU A OE2   
195  N  N     . TYR A 27  ? 0.21216 0.37517 0.30025 0.07414  0.01605  -0.05741 27  TYR A N     
196  C  CA    . TYR A 27  ? 0.23036 0.42271 0.33700 0.06205  -0.00466 -0.04524 27  TYR A CA    
197  C  C     . TYR A 27  ? 0.23851 0.43260 0.32431 0.04406  -0.00158 -0.04713 27  TYR A C     
198  O  O     . TYR A 27  ? 0.20486 0.42492 0.31336 0.03527  -0.00146 -0.03844 27  TYR A O     
199  C  CB    . TYR A 27  ? 0.20878 0.38700 0.30303 0.05740  -0.02985 -0.04137 27  TYR A CB    
200  C  CG    . TYR A 27  ? 0.16502 0.35426 0.26132 0.03801  -0.04620 -0.03667 27  TYR A CG    
201  C  CD1   . TYR A 27  ? 0.15835 0.38602 0.29107 0.03011  -0.05653 -0.02525 27  TYR A CD1   
202  C  CD2   . TYR A 27  ? 0.22639 0.38567 0.29149 0.02610  -0.04837 -0.04254 27  TYR A CD2   
203  C  CE1   . TYR A 27  ? 0.23784 0.46554 0.36413 0.00443  -0.07015 -0.02543 27  TYR A CE1   
204  C  CE2   . TYR A 27  ? 0.19300 0.34577 0.25452 0.00723  -0.05508 -0.04256 27  TYR A CE2   
205  C  CZ    . TYR A 27  ? 0.17761 0.36035 0.26383 -0.00665 -0.06662 -0.03686 27  TYR A CZ    
206  O  OH    . TYR A 27  ? 0.20284 0.36950 0.27745 -0.03288 -0.07187 -0.04122 27  TYR A OH    
207  N  N     . ASN A 28  ? 0.25198 0.42268 0.29918 0.03672  -0.00038 -0.05344 28  ASN A N     
208  C  CA    . ASN A 28  ? 0.19625 0.37458 0.22943 0.02124  -0.00087 -0.04484 28  ASN A CA    
209  C  C     . ASN A 28  ? 0.21633 0.41578 0.24751 0.01513  0.01802  -0.04362 28  ASN A C     
210  O  O     . ASN A 28  ? 0.23102 0.44693 0.26956 0.00458  0.01792  -0.02916 28  ASN A O     
211  C  CB    . ASN A 28  ? 0.17867 0.34199 0.18003 0.01309  -0.00724 -0.04392 28  ASN A CB    
212  C  CG    . ASN A 28  ? 0.26370 0.41285 0.27403 0.01636  -0.02034 -0.03602 28  ASN A CG    
213  O  OD1   . ASN A 28  ? 0.19646 0.34167 0.22490 0.01820  -0.02290 -0.03119 28  ASN A OD1   
214  N  ND2   . ASN A 28  ? 0.17356 0.31218 0.16880 0.01390  -0.02529 -0.03587 28  ASN A ND2   
215  N  N     . THR A 29  ? 0.31113 0.50487 0.33111 0.02171  0.03963  -0.05823 29  THR A N     
216  C  CA    . THR A 29  ? 0.25897 0.47055 0.27682 0.01747  0.06624  -0.05890 29  THR A CA    
217  C  C     . THR A 29  ? 0.28098 0.52836 0.35870 0.02523  0.06916  -0.04472 29  THR A C     
218  O  O     . THR A 29  ? 0.31648 0.58692 0.39995 0.01554  0.08345  -0.03551 29  THR A O     
219  C  CB    . THR A 29  ? 0.50751 0.69398 0.50049 0.02490  0.09986  -0.08136 29  THR A CB    
220  O  OG1   . THR A 29  ? 0.56824 0.75756 0.61563 0.05264  0.11073  -0.08074 29  THR A OG1   
221  C  CG2   . THR A 29  ? 0.32302 0.46999 0.25738 0.01129  0.09453  -0.09847 29  THR A CG2   
222  N  N     . LYS A 30  ? 0.23890 0.49508 0.36000 0.03840  0.05414  -0.03998 30  LYS A N     
223  C  CA    . LYS A 30  ? 0.23257 0.53163 0.41328 0.03828  0.05032  -0.02355 30  LYS A CA    
224  C  C     . LYS A 30  ? 0.21006 0.51503 0.39060 0.01483  0.03214  -0.01315 30  LYS A C     
225  O  O     . LYS A 30  ? 0.25618 0.59474 0.47442 0.00435  0.03639  -0.00033 30  LYS A O     
226  C  CB    . LYS A 30  ? 0.24989 0.56220 0.47052 0.05192  0.03182  -0.01609 30  LYS A CB    
227  C  CG    . LYS A 30  ? 0.27225 0.59256 0.52742 0.08073  0.05682  -0.01373 30  LYS A CG    
228  C  CD    . LYS A 30  ? 0.43105 0.75107 0.68374 0.08805  0.10305  -0.02213 30  LYS A CD    
229  C  CE    . LYS A 30  ? 0.49943 0.79607 0.76551 0.11783  0.13891  -0.02929 30  LYS A CE    
230  N  NZ    . LYS A 30  ? 0.37815 0.65144 0.60838 0.11667  0.18896  -0.04908 30  LYS A NZ    
231  N  N     . ILE A 31  ? 0.28859 0.43900 0.38118 0.06038  0.15436  0.01529  31  ILE A N     
232  C  CA    . ILE A 31  ? 0.26670 0.42271 0.35942 0.03716  0.13819  0.02971  31  ILE A CA    
233  C  C     . ILE A 31  ? 0.33024 0.46246 0.36895 0.02693  0.14142  0.02811  31  ILE A C     
234  O  O     . ILE A 31  ? 0.33730 0.45926 0.36751 0.01047  0.12501  0.03751  31  ILE A O     
235  C  CB    . ILE A 31  ? 0.23638 0.37848 0.33879 0.02929  0.10720  0.03027  31  ILE A CB    
236  C  CG1   . ILE A 31  ? 0.20548 0.30560 0.26667 0.03417  0.09638  0.01418  31  ILE A CG1   
237  C  CG2   . ILE A 31  ? 0.19049 0.36023 0.34298 0.03820  0.10116  0.03621  31  ILE A CG2   
238  C  CD1   . ILE A 31  ? 0.27363 0.35742 0.33013 0.02221  0.07052  0.01505  31  ILE A CD1   
239  N  N     . LYS A 32  ? 0.42534 0.54795 0.42653 0.03731  0.16211  0.01621  32  LYS A N     
240  C  CA    . LYS A 32  ? 0.50284 0.60015 0.44407 0.02959  0.15975  0.01250  32  LYS A CA    
241  C  C     . LYS A 32  ? 0.54352 0.65354 0.47985 0.01217  0.16177  0.03606  32  LYS A C     
242  O  O     . LYS A 32  ? 0.55846 0.64667 0.45978 0.00234  0.14646  0.04159  32  LYS A O     
243  C  CB    . LYS A 32  ? 0.57865 0.66714 0.48282 0.04057  0.17770  -0.00773 32  LYS A CB    
244  C  CG    . LYS A 32  ? 0.64189 0.72698 0.49287 0.02998  0.18242  -0.00574 32  LYS A CG    
245  C  CD    . LYS A 32  ? 0.59919 0.65303 0.40092 0.02352  0.15983  -0.01102 32  LYS A CD    
246  C  CE    . LYS A 32  ? 0.77043 0.82303 0.51779 0.01854  0.16222  -0.01859 32  LYS A CE    
247  N  NZ    . LYS A 32  ? 0.63066 0.67620 0.36377 0.03007  0.16888  -0.04844 32  LYS A NZ    
248  N  N     . GLU A 33  ? 0.49339 0.63805 0.47067 0.00713  0.17732  0.05164  33  GLU A N     
249  C  CA    . GLU A 33  ? 0.43606 0.58880 0.41561 -0.01272 0.17830  0.07454  33  GLU A CA    
250  C  C     . GLU A 33  ? 0.40353 0.55242 0.41730 -0.02804 0.15560  0.08879  33  GLU A C     
251  O  O     . GLU A 33  ? 0.41201 0.56061 0.43095 -0.04584 0.15517  0.10871  33  GLU A O     
252  C  CB    . GLU A 33  ? 0.56239 0.74912 0.57101 -0.01574 0.20017  0.07933  33  GLU A CB    
253  C  CG    . GLU A 33  ? 0.56578 0.75899 0.55250 0.00080  0.22166  0.05926  33  GLU A CG    
254  C  CD    . GLU A 33  ? 0.64658 0.82017 0.56448 -0.00319 0.22992  0.05494  33  GLU A CD    
255  O  OE1   . GLU A 33  ? 0.70145 0.85669 0.58857 -0.01774 0.21956  0.07122  33  GLU A OE1   
256  O  OE2   . GLU A 33  ? 0.80628 0.98226 0.70073 0.00844  0.24502  0.03491  33  GLU A OE2   
257  N  N     . TYR A 34  ? 0.41796 0.55662 0.45170 -0.02318 0.13344  0.07553  34  TYR A N     
258  C  CA    . TYR A 34  ? 0.37853 0.50307 0.43191 -0.03781 0.10825  0.08078  34  TYR A CA    
259  C  C     . TYR A 34  ? 0.40180 0.48556 0.41547 -0.03948 0.09034  0.07766  34  TYR A C     
260  O  O     . TYR A 34  ? 0.36629 0.43274 0.39135 -0.05053 0.07310  0.08174  34  TYR A O     
261  C  CB    . TYR A 34  ? 0.31016 0.44452 0.39843 -0.03283 0.09287  0.06961  34  TYR A CB    
262  C  CG    . TYR A 34  ? 0.37945 0.55927 0.52198 -0.03547 0.10165  0.07829  34  TYR A CG    
263  C  CD1   . TYR A 34  ? 0.23786 0.44655 0.39602 -0.01797 0.12360  0.07601  34  TYR A CD1   
264  C  CD2   . TYR A 34  ? 0.33376 0.52847 0.51449 -0.05548 0.08779  0.08799  34  TYR A CD2   
265  C  CE1   . TYR A 34  ? 0.38374 0.63689 0.59651 -0.01823 0.12930  0.08406  34  TYR A CE1   
266  C  CE2   . TYR A 34  ? 0.21705 0.45914 0.45196 -0.05951 0.09223  0.09663  34  TYR A CE2   
267  C  CZ    . TYR A 34  ? 0.31239 0.58071 0.56031 -0.03927 0.11085  0.09332  34  TYR A CZ    
268  O  OH    . TYR A 34  ? 0.27590 0.58254 0.57035 -0.04014 0.11012  0.09727  34  TYR A OH    
269  N  N     . GLY A 35  ? 0.26808 0.33699 0.23758 -0.02876 0.09354  0.06958  35  GLY A N     
270  C  CA    . GLY A 35  ? 0.32356 0.36269 0.25975 -0.03037 0.07726  0.07160  35  GLY A CA    
271  C  C     . GLY A 35  ? 0.37568 0.39630 0.31562 -0.02484 0.05571  0.05591  35  GLY A C     
272  O  O     . GLY A 35  ? 0.32269 0.32320 0.24390 -0.02450 0.04147  0.05767  35  GLY A O     
273  N  N     . VAL A 36  ? 0.29483 0.32402 0.25965 -0.01991 0.05339  0.04283  36  VAL A N     
274  C  CA    . VAL A 36  ? 0.24979 0.26429 0.21964 -0.01676 0.03590  0.03049  36  VAL A CA    
275  C  C     . VAL A 36  ? 0.35246 0.36800 0.31515 -0.00521 0.03908  0.01488  36  VAL A C     
276  O  O     . VAL A 36  ? 0.34225 0.37074 0.30770 0.00160  0.05429  0.01216  36  VAL A O     
277  C  CB    . VAL A 36  ? 0.25434 0.27308 0.25685 -0.02453 0.02699  0.03142  36  VAL A CB    
278  C  CG1   . VAL A 36  ? 0.26554 0.27094 0.27343 -0.03703 0.02151  0.04295  36  VAL A CG1   
279  C  CG2   . VAL A 36  ? 0.33981 0.38773 0.37123 -0.02472 0.03640  0.03444  36  VAL A CG2   
280  N  N     . TYR A 37  ? 0.26194 0.26243 0.21764 -0.00276 0.02615  0.00482  37  TYR A N     
281  C  CA    . TYR A 37  ? 0.25249 0.24532 0.19562 0.00482  0.02753  -0.00921 37  TYR A CA    
282  C  C     . TYR A 37  ? 0.25774 0.24770 0.22013 0.00630  0.01965  -0.01409 37  TYR A C     
283  O  O     . TYR A 37  ? 0.23539 0.22045 0.20219 0.00178  0.00849  -0.01368 37  TYR A O     
284  C  CB    . TYR A 37  ? 0.26278 0.24302 0.17679 0.00316  0.01919  -0.01469 37  TYR A CB    
285  C  CG    . TYR A 37  ? 0.33771 0.30684 0.23676 0.00666  0.02003  -0.03127 37  TYR A CG    
286  C  CD1   . TYR A 37  ? 0.33883 0.30493 0.22150 0.01241  0.03532  -0.04024 37  TYR A CD1   
287  C  CD2   . TYR A 37  ? 0.37899 0.33949 0.28126 0.00346  0.00713  -0.03884 37  TYR A CD2   
288  C  CE1   . TYR A 37  ? 0.36834 0.31646 0.23605 0.01437  0.03613  -0.05829 37  TYR A CE1   
289  C  CE2   . TYR A 37  ? 0.36714 0.31387 0.25781 0.00287  0.00710  -0.05412 37  TYR A CE2   
290  C  CZ    . TYR A 37  ? 0.40627 0.34350 0.27831 0.00808  0.02082  -0.06476 37  TYR A CZ    
291  O  OH    . TYR A 37  ? 0.53071 0.44667 0.38984 0.00650  0.02100  -0.08287 37  TYR A OH    
292  N  N     . LEU A 38  ? 0.23310 0.22578 0.20639 0.01382  0.02677  -0.01758 38  LEU A N     
293  C  CA    . LEU A 38  ? 0.22633 0.21313 0.21086 0.01587  0.02006  -0.01966 38  LEU A CA    
294  C  C     . LEU A 38  ? 0.22691 0.19286 0.19536 0.01745  0.02015  -0.03124 38  LEU A C     
295  O  O     . LEU A 38  ? 0.22235 0.17853 0.18323 0.02423  0.03017  -0.03898 38  LEU A O     
296  C  CB    . LEU A 38  ? 0.22032 0.22077 0.22912 0.02402  0.02515  -0.01281 38  LEU A CB    
297  C  CG    . LEU A 38  ? 0.21517 0.20800 0.23156 0.02731  0.01825  -0.01042 38  LEU A CG    
298  C  CD1   . LEU A 38  ? 0.17047 0.16593 0.18317 0.01685  0.00508  -0.00753 38  LEU A CD1   
299  C  CD2   . LEU A 38  ? 0.22452 0.23293 0.26737 0.03859  0.02168  -0.00047 38  LEU A CD2   
300  N  N     . LYS A 39  ? 0.26016 0.21934 0.22505 0.01061  0.01013  -0.03371 39  LYS A N     
301  C  CA    . LYS A 39  ? 0.25567 0.19881 0.20882 0.00716  0.00779  -0.04445 39  LYS A CA    
302  C  C     . LYS A 39  ? 0.27538 0.20197 0.23596 0.01135  0.01321  -0.04673 39  LYS A C     
303  O  O     . LYS A 39  ? 0.31042 0.23911 0.28460 0.01162  0.01114  -0.03754 39  LYS A O     
304  C  CB    . LYS A 39  ? 0.23460 0.18225 0.19133 -0.00109 -0.00287 -0.04419 39  LYS A CB    
305  C  CG    . LYS A 39  ? 0.26574 0.20525 0.21397 -0.00831 -0.00885 -0.05458 39  LYS A CG    
306  C  CD    . LYS A 39  ? 0.22939 0.18295 0.18956 -0.01450 -0.01889 -0.05230 39  LYS A CD    
307  C  CE    . LYS A 39  ? 0.22206 0.17374 0.17961 -0.02435 -0.02790 -0.06189 39  LYS A CE    
308  N  NZ    . LYS A 39  ? 0.26452 0.23760 0.24326 -0.02898 -0.03737 -0.05811 39  LYS A NZ    
309  N  N     . PRO A 40  ? 0.28357 0.19080 0.23321 0.01503  0.02049  -0.05844 40  PRO A N     
310  C  CA    . PRO A 40  ? 0.23760 0.12209 0.19756 0.02150  0.02695  -0.05919 40  PRO A CA    
311  C  C     . PRO A 40  ? 0.28058 0.15222 0.24741 0.01100  0.01973  -0.05602 40  PRO A C     
312  O  O     . PRO A 40  ? 0.30555 0.16555 0.28572 0.01563  0.02241  -0.04560 40  PRO A O     
313  C  CB    . PRO A 40  ? 0.28542 0.14633 0.22641 0.02564  0.03664  -0.07835 40  PRO A CB    
314  C  CG    . PRO A 40  ? 0.34486 0.22511 0.26610 0.02542  0.03888  -0.08231 40  PRO A CG    
315  C  CD    . PRO A 40  ? 0.31600 0.21982 0.24084 0.01529  0.02495  -0.07081 40  PRO A CD    
316  N  N     . TYR A 41  ? 0.25566 0.13225 0.21611 -0.00295 0.01073  -0.06203 41  TYR A N     
317  C  CA    . TYR A 41  ? 0.33722 0.20019 0.30565 -0.01581 0.00686  -0.06281 41  TYR A CA    
318  C  C     . TYR A 41  ? 0.31728 0.20624 0.29052 -0.02690 -0.00293 -0.06197 41  TYR A C     
319  O  O     . TYR A 41  ? 0.29804 0.19391 0.26169 -0.03215 -0.01086 -0.07237 41  TYR A O     
320  C  CB    . TYR A 41  ? 0.35679 0.18685 0.31489 -0.02146 0.00820  -0.08055 41  TYR A CB    
321  C  CG    . TYR A 41  ? 0.39464 0.21262 0.36452 -0.03833 0.00207  -0.08110 41  TYR A CG    
322  C  CD1   . TYR A 41  ? 0.38163 0.18257 0.36770 -0.04105 0.00843  -0.06712 41  TYR A CD1   
323  C  CD2   . TYR A 41  ? 0.43771 0.26189 0.40311 -0.05156 -0.01076 -0.09294 41  TYR A CD2   
324  C  CE1   . TYR A 41  ? 0.56564 0.35702 0.56424 -0.05835 0.00422  -0.06485 41  TYR A CE1   
325  C  CE2   . TYR A 41  ? 0.55444 0.37028 0.53502 -0.06852 -0.01687 -0.09228 41  TYR A CE2   
326  C  CZ    . TYR A 41  ? 0.58072 0.38045 0.57845 -0.07263 -0.00826 -0.07821 41  TYR A CZ    
327  O  OH    . TYR A 41  ? 0.52606 0.31882 0.54032 -0.09159 -0.01291 -0.07500 41  TYR A OH    
328  N  N     . HIS A 42  ? 0.29941 0.20409 0.28624 -0.02882 -0.00209 -0.04932 42  HIS A N     
329  C  CA    . HIS A 42  ? 0.23530 0.16609 0.23275 -0.03524 -0.00756 -0.04820 42  HIS A CA    
330  C  C     . HIS A 42  ? 0.26430 0.19645 0.27925 -0.04855 -0.00503 -0.04419 42  HIS A C     
331  O  O     . HIS A 42  ? 0.25612 0.17621 0.27224 -0.04947 0.00311  -0.03382 42  HIS A O     
332  C  CB    . HIS A 42  ? 0.25229 0.20064 0.24956 -0.02631 -0.00508 -0.03999 42  HIS A CB    
333  C  CG    . HIS A 42  ? 0.30504 0.27638 0.31403 -0.02758 -0.00861 -0.04092 42  HIS A CG    
334  N  ND1   . HIS A 42  ? 0.23652 0.21737 0.24818 -0.02777 -0.01830 -0.04621 42  HIS A ND1   
335  C  CD2   . HIS A 42  ? 0.21651 0.20302 0.23506 -0.02665 -0.00305 -0.03705 42  HIS A CD2   
336  C  CE1   . HIS A 42  ? 0.26025 0.26120 0.28873 -0.02521 -0.01918 -0.04397 42  HIS A CE1   
337  N  NE2   . HIS A 42  ? 0.19419 0.19811 0.22690 -0.02421 -0.00828 -0.04037 42  HIS A NE2   
338  N  N     . ILE A 43  ? 0.24927 0.19833 0.27950 -0.05945 -0.01248 -0.05004 43  ILE A N     
339  C  CA    . ILE A 43  ? 0.21175 0.16960 0.26630 -0.07522 -0.00948 -0.04580 43  ILE A CA    
340  C  C     . ILE A 43  ? 0.26642 0.26374 0.34345 -0.07353 -0.00788 -0.04123 43  ILE A C     
341  O  O     . ILE A 43  ? 0.21573 0.23210 0.29746 -0.06712 -0.01783 -0.04612 43  ILE A O     
342  C  CB    . ILE A 43  ? 0.26524 0.21296 0.32788 -0.09291 -0.02035 -0.05759 43  ILE A CB    
343  C  CG1   . ILE A 43  ? 0.29654 0.20479 0.33137 -0.08993 -0.02305 -0.07002 43  ILE A CG1   
344  C  CG2   . ILE A 43  ? 0.26686 0.21250 0.35457 -0.11190 -0.01349 -0.05002 43  ILE A CG2   
345  C  CD1   . ILE A 43  ? 0.36699 0.26801 0.39724 -0.10208 -0.03823 -0.08210 43  ILE A CD1   
346  N  N     . VAL A 44  ? 0.19939 0.20834 0.29035 -0.07847 0.00581  -0.03095 44  VAL A N     
347  C  CA    . VAL A 44  ? 0.25545 0.30305 0.37360 -0.07746 0.01254  -0.02806 44  VAL A CA    
348  C  C     . VAL A 44  ? 0.21652 0.27887 0.36565 -0.09758 0.01948  -0.02168 44  VAL A C     
349  O  O     . VAL A 44  ? 0.23958 0.27843 0.38025 -0.10865 0.02762  -0.01325 44  VAL A O     
350  C  CB    . VAL A 44  ? 0.19102 0.24263 0.29261 -0.06382 0.02736  -0.02316 44  VAL A CB    
351  C  CG1   . VAL A 44  ? 0.20036 0.28917 0.32983 -0.06116 0.04008  -0.02247 44  VAL A CG1   
352  C  CG2   . VAL A 44  ? 0.23274 0.27131 0.31049 -0.04789 0.01908  -0.02941 44  VAL A CG2   
353  N  N     . TYR A 45  ? 0.18033 0.28219 0.36902 -0.10269 0.01551  -0.02369 45  TYR A N     
354  C  CA    . TYR A 45  ? 0.19522 0.31842 0.42354 -0.12580 0.01785  -0.01877 45  TYR A CA    
355  C  C     . TYR A 45  ? 0.24366 0.40920 0.50288 -0.12320 0.04021  -0.00918 45  TYR A C     
356  O  O     . TYR A 45  ? 0.23405 0.42954 0.50832 -0.10532 0.04247  -0.01273 45  TYR A O     
357  C  CB    . TYR A 45  ? 0.26630 0.40872 0.51924 -0.13548 -0.00711 -0.02724 45  TYR A CB    
358  C  CG    . TYR A 45  ? 0.22187 0.32426 0.43867 -0.13862 -0.02776 -0.03935 45  TYR A CG    
359  C  CD1   . TYR A 45  ? 0.25379 0.33719 0.43751 -0.12066 -0.03364 -0.04740 45  TYR A CD1   
360  C  CD2   . TYR A 45  ? 0.32852 0.41071 0.53867 -0.15853 -0.03965 -0.04197 45  TYR A CD2   
361  C  CE1   . TYR A 45  ? 0.27864 0.32882 0.42830 -0.12247 -0.04779 -0.05895 45  TYR A CE1   
362  C  CE2   . TYR A 45  ? 0.33626 0.38015 0.50841 -0.15916 -0.05483 -0.05482 45  TYR A CE2   
363  C  CZ    . TYR A 45  ? 0.33790 0.36743 0.47938 -0.13995 -0.05730 -0.06279 45  TYR A CZ    
364  O  OH    . TYR A 45  ? 0.42221 0.41623 0.52403 -0.13813 -0.06829 -0.07482 45  TYR A OH    
365  N  N     . LYS A 46  ? 0.24210 0.40685 0.50744 -0.13923 0.05759  0.00399  46  LYS A N     
366  C  CA    . LYS A 46  ? 0.23177 0.43657 0.51952 -0.13784 0.08007  0.01517  46  LYS A CA    
367  C  C     . LYS A 46  ? 0.25440 0.45523 0.54960 -0.16224 0.08563  0.03119  46  LYS A C     
368  O  O     . LYS A 46  ? 0.37947 0.53752 0.64434 -0.17101 0.08815  0.03936  46  LYS A O     
369  C  CB    . LYS A 46  ? 0.37987 0.57986 0.63535 -0.12134 0.10467  0.01637  46  LYS A CB    
370  C  CG    . LYS A 46  ? 0.46199 0.70568 0.73718 -0.10447 0.12259  0.01430  46  LYS A CG    
371  C  CD    . LYS A 46  ? 0.43939 0.70814 0.74907 -0.08925 0.10601  0.00188  46  LYS A CD    
372  C  CE    . LYS A 46  ? 0.39848 0.71402 0.74154 -0.07519 0.12152  0.00345  46  LYS A CE    
373  N  NZ    . LYS A 46  ? 0.46522 0.79192 0.82638 -0.05077 0.10995  -0.00788 46  LYS A NZ    
374  N  N     . ASN A 47  ? 0.30829 0.55373 0.64398 -0.17332 0.08702  0.03599  47  ASN A N     
375  C  CA    . ASN A 47  ? 0.34041 0.59643 0.68527 -0.19586 0.10212  0.05197  47  ASN A CA    
376  C  C     . ASN A 47  ? 0.38513 0.59430 0.71531 -0.22086 0.08807  0.05488  47  ASN A C     
377  O  O     . ASN A 47  ? 0.54211 0.72550 0.85212 -0.23322 0.10142  0.06960  47  ASN A O     
378  C  CB    . ASN A 47  ? 0.42292 0.67968 0.74075 -0.18715 0.13201  0.06581  47  ASN A CB    
379  C  CG    . ASN A 47  ? 0.40548 0.70924 0.73741 -0.16461 0.15018  0.06064  47  ASN A CG    
380  O  OD1   . ASN A 47  ? 0.41284 0.76060 0.78792 -0.16100 0.14551  0.05326  47  ASN A OD1   
381  N  ND2   . ASN A 47  ? 0.50130 0.79369 0.79366 -0.14813 0.16996  0.06306  47  ASN A ND2   
382  N  N     . SER A 48  ? 0.47985 0.67401 0.81453 -0.22648 0.06099  0.03973  48  SER A N     
383  C  CA    . SER A 48  ? 0.44636 0.58680 0.75972 -0.24363 0.04449  0.03449  48  SER A CA    
384  C  C     . SER A 48  ? 0.39829 0.47906 0.66849 -0.23223 0.04650  0.03833  48  SER A C     
385  O  O     . SER A 48  ? 0.44037 0.47115 0.69099 -0.24302 0.03748  0.03634  48  SER A O     
386  C  CB    . SER A 48  ? 0.41100 0.54979 0.73920 -0.27310 0.05179  0.04165  48  SER A CB    
387  O  OG    . SER A 48  ? 0.63009 0.81216 0.99709 -0.28772 0.04190  0.02987  48  SER A OG    
388  N  N     . LYS A 49  ? 0.33330 0.41659 0.58691 -0.20876 0.05901  0.04148  49  LYS A N     
389  C  CA    . LYS A 49  ? 0.33443 0.36740 0.54801 -0.19563 0.06020  0.04249  49  LYS A CA    
390  C  C     . LYS A 49  ? 0.36468 0.39049 0.56597 -0.17770 0.04582  0.02145  49  LYS A C     
391  O  O     . LYS A 49  ? 0.32689 0.39135 0.54555 -0.16872 0.04231  0.01131  49  LYS A O     
392  C  CB    . LYS A 49  ? 0.41687 0.45459 0.60911 -0.18541 0.08427  0.06037  49  LYS A CB    
393  C  CG    . LYS A 49  ? 0.44784 0.49314 0.64320 -0.20298 0.09999  0.08311  49  LYS A CG    
394  C  CD    . LYS A 49  ? 0.53974 0.60592 0.71184 -0.19172 0.12352  0.09810  49  LYS A CD    
395  C  CE    . LYS A 49  ? 0.63665 0.67837 0.78166 -0.20546 0.13461  0.12250  49  LYS A CE    
396  N  NZ    . LYS A 49  ? 0.56643 0.60941 0.66732 -0.19026 0.14879  0.13565  49  LYS A NZ    
397  N  N     . ARG A 50  ? 0.31204 0.28838 0.48310 -0.17142 0.03784  0.01585  50  ARG A N     
398  C  CA    . ARG A 50  ? 0.33223 0.29762 0.48210 -0.15345 0.02920  -0.00062 50  ARG A CA    
399  C  C     . ARG A 50  ? 0.35860 0.30314 0.47372 -0.13482 0.03949  0.01129  50  ARG A C     
400  O  O     . ARG A 50  ? 0.43347 0.33987 0.53564 -0.13727 0.04418  0.02327  50  ARG A O     
401  C  CB    . ARG A 50  ? 0.35012 0.28093 0.48539 -0.15460 0.00956  -0.01680 50  ARG A CB    
402  C  CG    . ARG A 50  ? 0.42518 0.37932 0.57935 -0.16779 -0.00872 -0.02828 50  ARG A CG    
403  C  CD    . ARG A 50  ? 0.48465 0.40180 0.63321 -0.18454 -0.01903 -0.03189 50  ARG A CD    
404  N  NE    . ARG A 50  ? 0.66389 0.59986 0.82197 -0.19776 -0.03956 -0.04416 50  ARG A NE    
405  C  CZ    . ARG A 50  ? 0.71041 0.62815 0.84428 -0.19166 -0.05657 -0.06224 50  ARG A CZ    
406  N  NH1   . ARG A 50  ? 0.70027 0.58418 0.80183 -0.17290 -0.05425 -0.07169 50  ARG A NH1   
407  N  NH2   . ARG A 50  ? 0.50986 0.44679 0.65244 -0.20404 -0.07578 -0.07009 50  ARG A NH2   
408  N  N     . TYR A 51  ? 0.25498 0.22368 0.35610 -0.11610 0.04093  0.00873  51  TYR A N     
409  C  CA    . TYR A 51  ? 0.27920 0.23347 0.34676 -0.09880 0.04468  0.01683  51  TYR A CA    
410  C  C     . TYR A 51  ? 0.26972 0.20512 0.32110 -0.08417 0.03107  0.00386  51  TYR A C     
411  O  O     . TYR A 51  ? 0.25333 0.20362 0.31006 -0.07993 0.02179  -0.01105 51  TYR A O     
412  C  CB    . TYR A 51  ? 0.25000 0.23765 0.30947 -0.08928 0.05435  0.01859  51  TYR A CB    
413  C  CG    . TYR A 51  ? 0.25424 0.26374 0.32544 -0.10185 0.07323  0.03190  51  TYR A CG    
414  C  CD1   . TYR A 51  ? 0.25256 0.29701 0.36171 -0.11147 0.07921  0.02681  51  TYR A CD1   
415  C  CD2   . TYR A 51  ? 0.28280 0.28138 0.32834 -0.10419 0.08536  0.05169  51  TYR A CD2   
416  C  CE1   . TYR A 51  ? 0.28555 0.35508 0.40937 -0.12330 0.10058  0.03992  51  TYR A CE1   
417  C  CE2   . TYR A 51  ? 0.30532 0.32516 0.35732 -0.11670 0.10607  0.06573  51  TYR A CE2   
418  C  CZ    . TYR A 51  ? 0.32858 0.38442 0.42111 -0.12638 0.11540  0.05916  51  TYR A CZ    
419  O  OH    . TYR A 51  ? 0.34142 0.42298 0.44364 -0.13880 0.13956  0.07404  51  TYR A OH    
420  N  N     . ILE A 52  ? 0.29342 0.19881 0.32660 -0.07559 0.03074  0.01191  52  ILE A N     
421  C  CA    . ILE A 52  ? 0.29416 0.17820 0.31778 -0.06354 0.02211  0.00083  52  ILE A CA    
422  C  C     . ILE A 52  ? 0.24959 0.13881 0.25595 -0.04604 0.02148  0.00887  52  ILE A C     
423  O  O     . ILE A 52  ? 0.33223 0.21942 0.33000 -0.04387 0.02557  0.02702  52  ILE A O     
424  C  CB    . ILE A 52  ? 0.32726 0.16822 0.35472 -0.06870 0.02267  0.00059  52  ILE A CB    
425  C  CG1   . ILE A 52  ? 0.32945 0.16611 0.37335 -0.08908 0.01842  -0.01367 52  ILE A CG1   
426  C  CG2   . ILE A 52  ? 0.31889 0.13813 0.33498 -0.05111 0.01974  -0.00825 52  ILE A CG2   
427  C  CD1   . ILE A 52  ? 0.41612 0.20824 0.46443 -0.09849 0.01899  -0.01374 52  ILE A CD1   
428  N  N     . TYR A 53  ? 0.25181 0.14995 0.25295 -0.03543 0.01532  -0.00316 53  TYR A N     
429  C  CA    . TYR A 53  ? 0.28044 0.18988 0.27124 -0.02228 0.01266  0.00205  53  TYR A CA    
430  C  C     . TYR A 53  ? 0.29650 0.19540 0.28799 -0.01154 0.01021  -0.00647 53  TYR A C     
431  O  O     . TYR A 53  ? 0.26011 0.16430 0.25000 -0.01221 0.00778  -0.02045 53  TYR A O     
432  C  CB    . TYR A 53  ? 0.24604 0.18297 0.23251 -0.02287 0.01097  -0.00343 53  TYR A CB    
433  C  CG    . TYR A 53  ? 0.22581 0.17478 0.21254 -0.03209 0.01820  0.00162  53  TYR A CG    
434  C  CD1   . TYR A 53  ? 0.25071 0.20358 0.22155 -0.03236 0.02234  0.01492  53  TYR A CD1   
435  C  CD2   . TYR A 53  ? 0.25764 0.21694 0.26086 -0.04094 0.02127  -0.00567 53  TYR A CD2   
436  C  CE1   . TYR A 53  ? 0.27597 0.24119 0.24331 -0.04083 0.03334  0.01972  53  TYR A CE1   
437  C  CE2   . TYR A 53  ? 0.19438 0.16960 0.20332 -0.04892 0.03193  -0.00018 53  TYR A CE2   
438  C  CZ    . TYR A 53  ? 0.29163 0.26882 0.28061 -0.04861 0.03992  0.01197  53  TYR A CZ    
439  O  OH    . TYR A 53  ? 0.23981 0.23457 0.23083 -0.05644 0.05455  0.01728  53  TYR A OH    
440  N  N     . ILE A 54  ? 0.31698 0.20228 0.31130 -0.00081 0.01175  0.00339  54  ILE A N     
441  C  CA    . ILE A 54  ? 0.35392 0.22872 0.35264 0.01161  0.01459  -0.00442 54  ILE A CA    
442  C  C     . ILE A 54  ? 0.29945 0.20209 0.30162 0.02112  0.01132  0.00061  54  ILE A C     
443  O  O     . ILE A 54  ? 0.26139 0.17707 0.26746 0.02480  0.00621  0.01631  54  ILE A O     
444  C  CB    . ILE A 54  ? 0.38822 0.23071 0.39617 0.02053  0.02005  0.00320  54  ILE A CB    
445  C  CG1   . ILE A 54  ? 0.29156 0.10239 0.29788 0.00638  0.02276  -0.00302 54  ILE A CG1   
446  C  CG2   . ILE A 54  ? 0.30695 0.14147 0.32162 0.03720  0.02713  -0.00637 54  ILE A CG2   
447  C  CD1   . ILE A 54  ? 0.40201 0.17311 0.41824 0.01265  0.02800  0.00865  54  ILE A CD1   
448  N  N     . GLY A 55  ? 0.25170 0.16420 0.25153 0.02318  0.01328  -0.01149 55  GLY A N     
449  C  CA    . GLY A 55  ? 0.24481 0.18251 0.25343 0.03007  0.01215  -0.00643 55  GLY A CA    
450  C  C     . GLY A 55  ? 0.23891 0.19825 0.24575 0.02253  0.00224  0.00127  55  GLY A C     
451  O  O     . GLY A 55  ? 0.22961 0.20723 0.24744 0.02639  -0.00327 0.01195  55  GLY A O     
452  N  N     . LYS A 56  ? 0.21771 0.17555 0.21203 0.01198  -0.00048 -0.00469 56  LYS A N     
453  C  CA    . LYS A 56  ? 0.23923 0.20984 0.22644 0.00531  -0.00693 -0.00118 56  LYS A CA    
454  C  C     . LYS A 56  ? 0.23807 0.21720 0.22260 0.00035  -0.00934 -0.01015 56  LYS A C     
455  O  O     . LYS A 56  ? 0.20439 0.19371 0.18646 -0.00344 -0.01525 -0.00939 56  LYS A O     
456  C  CB    . LYS A 56  ? 0.23665 0.19904 0.21425 -0.00106 -0.00425 0.00034  56  LYS A CB    
457  C  CG    . LYS A 56  ? 0.40234 0.37636 0.36575 -0.00624 -0.00762 0.00353  56  LYS A CG    
458  C  CD    . LYS A 56  ? 0.49108 0.46677 0.44759 -0.00402 -0.01223 0.02041  56  LYS A CD    
459  C  CE    . LYS A 56  ? 0.51158 0.49577 0.44312 -0.01147 -0.01321 0.02229  56  LYS A CE    
460  N  NZ    . LYS A 56  ? 0.31247 0.28795 0.23544 -0.01640 -0.00228 0.02935  56  LYS A NZ    
461  N  N     . TYR A 57  ? 0.18750 0.16072 0.17147 -0.00040 -0.00639 -0.01824 57  TYR A N     
462  C  CA    . TYR A 57  ? 0.16305 0.13931 0.14537 -0.00377 -0.00892 -0.02376 57  TYR A CA    
463  C  C     . TYR A 57  ? 0.20137 0.17863 0.18546 -0.00201 -0.00821 -0.02308 57  TYR A C     
464  O  O     . TYR A 57  ? 0.20546 0.17844 0.18572 0.00108  -0.00436 -0.02473 57  TYR A O     
465  C  CB    . TYR A 57  ? 0.22134 0.19500 0.20368 -0.00573 -0.00792 -0.02948 57  TYR A CB    
466  C  CG    . TYR A 57  ? 0.21643 0.19222 0.19675 -0.00871 -0.00430 -0.02858 57  TYR A CG    
467  C  CD1   . TYR A 57  ? 0.23642 0.21617 0.20801 -0.01011 -0.00415 -0.02905 57  TYR A CD1   
468  C  CD2   . TYR A 57  ? 0.22893 0.20202 0.21346 -0.01213 -0.00053 -0.02731 57  TYR A CD2   
469  C  CE1   . TYR A 57  ? 0.20715 0.19015 0.16976 -0.01320 0.00149  -0.02714 57  TYR A CE1   
470  C  CE2   . TYR A 57  ? 0.20323 0.17965 0.18508 -0.01638 0.00556  -0.02305 57  TYR A CE2   
471  C  CZ    . TYR A 57  ? 0.28538 0.26775 0.25406 -0.01606 0.00747  -0.02238 57  TYR A CZ    
472  O  OH    . TYR A 57  ? 0.20592 0.19287 0.16513 -0.02061 0.01576  -0.01724 57  TYR A OH    
473  N  N     . TRP A 58  ? 0.21995 0.20089 0.20740 -0.00528 -0.01101 -0.02108 58  TRP A N     
474  C  CA    . TRP A 58  ? 0.22584 0.20846 0.21478 -0.00608 -0.00882 -0.01645 58  TRP A CA    
475  C  C     . TRP A 58  ? 0.26289 0.23608 0.24582 -0.00634 -0.01179 -0.01698 58  TRP A C     
476  O  O     . TRP A 58  ? 0.21977 0.18660 0.20585 -0.00670 -0.01570 -0.02084 58  TRP A O     
477  C  CB    . TRP A 58  ? 0.24879 0.23986 0.24977 -0.01256 -0.01097 -0.01117 58  TRP A CB    
478  C  CG    . TRP A 58  ? 0.24460 0.25315 0.25877 -0.01101 -0.00986 -0.00615 58  TRP A CG    
479  C  CD1   . TRP A 58  ? 0.22385 0.23964 0.24149 -0.01110 -0.01655 -0.00570 58  TRP A CD1   
480  C  CD2   . TRP A 58  ? 0.15507 0.17938 0.18285 -0.00776 -0.00134 0.00119  58  TRP A CD2   
481  N  NE1   . TRP A 58  ? 0.21703 0.25287 0.25389 -0.00685 -0.01534 0.00302  58  TRP A NE1   
482  C  CE2   . TRP A 58  ? 0.22472 0.26704 0.27069 -0.00413 -0.00432 0.00622  58  TRP A CE2   
483  C  CE3   . TRP A 58  ? 0.22218 0.24909 0.24762 -0.00682 0.00966  0.00509  58  TRP A CE3   
484  C  CZ2   . TRP A 58  ? 0.19537 0.26013 0.26475 0.00235  0.00434  0.01406  58  TRP A CZ2   
485  C  CZ3   . TRP A 58  ? 0.23483 0.28291 0.27784 -0.00196 0.02096  0.01134  58  TRP A CZ3   
486  C  CH2   . TRP A 58  ? 0.19261 0.26034 0.26105 0.00347  0.01874  0.01529  58  TRP A CH2   
487  N  N     . TYR A 59  ? 0.20159 0.17456 0.17517 -0.00496 -0.00945 -0.01244 59  TYR A N     
488  C  CA    . TYR A 59  ? 0.23481 0.20116 0.20206 -0.00434 -0.01470 -0.00726 59  TYR A CA    
489  C  C     . TYR A 59  ? 0.29387 0.26044 0.25358 -0.00755 -0.00989 0.00505  59  TYR A C     
490  O  O     . TYR A 59  ? 0.26490 0.24084 0.22061 -0.00837 -0.00024 0.00651  59  TYR A O     
491  C  CB    . TYR A 59  ? 0.20963 0.17789 0.16604 -0.00130 -0.02001 -0.01202 59  TYR A CB    
492  C  CG    . TYR A 59  ? 0.25880 0.22963 0.22747 -0.00046 -0.02322 -0.02107 59  TYR A CG    
493  C  CD1   . TYR A 59  ? 0.26452 0.23590 0.23411 -0.00201 -0.01832 -0.02806 59  TYR A CD1   
494  C  CD2   . TYR A 59  ? 0.24118 0.21450 0.22304 0.00268  -0.02953 -0.02060 59  TYR A CD2   
495  C  CE1   . TYR A 59  ? 0.25698 0.23132 0.23707 -0.00345 -0.01901 -0.03305 59  TYR A CE1   
496  C  CE2   . TYR A 59  ? 0.30476 0.28558 0.30053 0.00277  -0.02875 -0.02771 59  TYR A CE2   
497  C  CZ    . TYR A 59  ? 0.31330 0.29460 0.30640 -0.00181 -0.02316 -0.03329 59  TYR A CZ    
498  O  OH    . TYR A 59  ? 0.32348 0.31274 0.32962 -0.00383 -0.02023 -0.03722 59  TYR A OH    
499  N  N     . LYS A 60  ? 0.24321 0.19936 0.20314 -0.00854 -0.01492 0.01540  60  LYS A N     
500  C  CA    . LYS A 60  ? 0.25999 0.21482 0.20459 -0.01123 -0.01159 0.03129  60  LYS A CA    
501  C  C     . LYS A 60  ? 0.31847 0.27432 0.24096 -0.00573 -0.02037 0.03399  60  LYS A C     
502  O  O     . LYS A 60  ? 0.34605 0.29746 0.27751 -0.00036 -0.03236 0.03408  60  LYS A O     
503  C  CB    . LYS A 60  ? 0.25835 0.19684 0.21596 -0.01667 -0.01316 0.04497  60  LYS A CB    
504  C  CG    . LYS A 60  ? 0.31370 0.24741 0.25391 -0.01994 -0.01038 0.06717  60  LYS A CG    
505  C  CD    . LYS A 60  ? 0.38853 0.33851 0.32344 -0.02847 0.00597  0.07365  60  LYS A CD    
506  C  CE    . LYS A 60  ? 0.40286 0.35593 0.30450 -0.02923 0.01194  0.09187  60  LYS A CE    
507  N  NZ    . LYS A 60  ? 0.41487 0.38787 0.31168 -0.03604 0.03306  0.09783  60  LYS A NZ    
508  N  N     . LEU A 61  ? 0.30214 0.26609 0.19643 -0.00688 -0.01456 0.03512  61  LEU A N     
509  C  CA    . LEU A 61  ? 0.31443 0.28079 0.18029 -0.00482 -0.02569 0.03813  61  LEU A CA    
510  C  C     . LEU A 61  ? 0.40776 0.36929 0.25447 -0.00671 -0.02708 0.06279  61  LEU A C     
511  O  O     . LEU A 61  ? 0.41805 0.38061 0.25394 -0.01199 -0.01154 0.07276  61  LEU A O     
512  C  CB    . LEU A 61  ? 0.32888 0.30183 0.16604 -0.00590 -0.01909 0.02216  61  LEU A CB    
513  C  CG    . LEU A 61  ? 0.32418 0.29675 0.17939 -0.00443 -0.01559 0.00113  61  LEU A CG    
514  C  CD1   . LEU A 61  ? 0.37085 0.34147 0.19784 -0.00448 -0.00624 -0.01507 61  LEU A CD1   
515  C  CD2   . LEU A 61  ? 0.32532 0.29882 0.19944 -0.00394 -0.03240 -0.00443 61  LEU A CD2   
516  N  N     . GLU A 62  ? 0.41181 0.37013 0.25717 -0.00213 -0.04524 0.07500  62  GLU A N     
517  C  CA    . GLU A 62  ? 0.48751 0.44189 0.30554 -0.00271 -0.05110 0.10136  62  GLU A CA    
518  C  C     . GLU A 62  ? 0.54059 0.50858 0.32824 -0.00043 -0.07071 0.10083  62  GLU A C     
519  O  O     . GLU A 62  ? 0.42818 0.40589 0.23438 0.00330  -0.08522 0.08662  62  GLU A O     
520  C  CB    . GLU A 62  ? 0.49701 0.43224 0.34428 0.00221  -0.05830 0.12256  62  GLU A CB    
521  C  CG    . GLU A 62  ? 0.49388 0.41256 0.37115 -0.00348 -0.04293 0.12117  62  GLU A CG    
522  C  CD    . GLU A 62  ? 0.62378 0.53818 0.48494 -0.01520 -0.02665 0.14007  62  GLU A CD    
523  O  OE1   . GLU A 62  ? 0.57170 0.49325 0.39398 -0.01741 -0.02511 0.15687  62  GLU A OE1   
524  O  OE2   . GLU A 62  ? 0.63046 0.53605 0.51772 -0.02360 -0.01548 0.13868  62  GLU A OE2   
525  N  N     . LYS A 63  ? 0.46818 0.43907 0.20887 -0.00423 -0.07127 0.11695  63  LYS A N     
526  C  CA    . LYS A 63  ? 0.58012 0.56472 0.29822 0.00038  -0.08910 0.11539  63  LYS A CA    
527  C  C     . LYS A 63  ? 0.59619 0.57302 0.31900 0.00850  -0.09903 0.14583  63  LYS A C     
528  O  O     . LYS A 63  ? 0.63211 0.59603 0.33394 0.00631  -0.08536 0.16458  63  LYS A O     
529  C  CB    . LYS A 63  ? 0.61252 0.60330 0.27908 -0.00433 -0.07732 0.10132  63  LYS A CB    
530  C  CG    . LYS A 63  ? 0.66644 0.66214 0.33020 -0.00920 -0.07100 0.06707  63  LYS A CG    
531  C  CD    . LYS A 63  ? 0.83261 0.83886 0.46853 -0.00989 -0.08461 0.04808  63  LYS A CD    
532  C  CE    . LYS A 63  ? 0.79323 0.79536 0.42013 -0.01392 -0.06990 0.01498  63  LYS A CE    
533  N  NZ    . LYS A 63  ? 0.79967 0.80721 0.44741 -0.01837 -0.08819 -0.00725 63  LYS A NZ    
534  N  N     . ILE A 64  ? 0.57760 0.56152 0.33150 0.01829  -0.12084 0.15104  64  ILE A N     
535  C  CA    . ILE A 64  ? 0.68707 0.66383 0.44496 0.02890  -0.13249 0.17823  64  ILE A CA    
536  C  C     . ILE A 64  ? 0.59162 0.59376 0.34071 0.03439  -0.15758 0.17515  64  ILE A C     
537  O  O     . ILE A 64  ? 0.68251 0.70574 0.45826 0.03470  -0.16940 0.15636  64  ILE A O     
538  C  CB    . ILE A 64  ? 0.74816 0.70512 0.55949 0.03889  -0.13157 0.19056  64  ILE A CB    
539  C  CG1   . ILE A 64  ? 0.61890 0.59152 0.47994 0.04975  -0.14597 0.17860  64  ILE A CG1   
540  C  CG2   . ILE A 64  ? 0.61979 0.55412 0.44340 0.03006  -0.10923 0.18718  64  ILE A CG2   
541  C  CD1   . ILE A 64  ? 0.70342 0.68462 0.58364 0.06594  -0.16493 0.19522  64  ILE A CD1   
542  N  N     . GLY A 65  ? 0.63686 0.63779 0.34693 0.03683  -0.16533 0.19326  65  GLY A N     
543  C  CA    . GLY A 65  ? 0.73573 0.76024 0.43641 0.04231  -0.19230 0.19503  65  GLY A CA    
544  C  C     . GLY A 65  ? 0.71064 0.75871 0.38994 0.03201  -0.20032 0.16452  65  GLY A C     
545  O  O     . GLY A 65  ? 0.76896 0.84256 0.46826 0.03430  -0.22340 0.15718  65  GLY A O     
546  N  N     . GLY A 66  ? 0.74341 0.78291 0.38569 0.02076  -0.18072 0.14561  66  GLY A N     
547  C  CA    . GLY A 66  ? 0.72492 0.77775 0.35321 0.01083  -0.18315 0.11191  66  GLY A CA    
548  C  C     . GLY A 66  ? 0.74159 0.79661 0.41459 0.00590  -0.17514 0.08981  66  GLY A C     
549  O  O     . GLY A 66  ? 0.79415 0.84634 0.45147 -0.00323 -0.16458 0.06234  66  GLY A O     
550  N  N     . LYS A 67  ? 0.67775 0.73564 0.40564 0.01287  -0.17934 0.10072  67  LYS A N     
551  C  CA    . LYS A 67  ? 0.50964 0.57529 0.28193 0.00892  -0.17796 0.08104  67  LYS A CA    
552  C  C     . LYS A 67  ? 0.50884 0.55223 0.28953 0.00645  -0.15454 0.07753  67  LYS A C     
553  O  O     . LYS A 67  ? 0.50718 0.53354 0.29305 0.01241  -0.14508 0.09802  67  LYS A O     
554  C  CB    . LYS A 67  ? 0.57397 0.65887 0.40327 0.01940  -0.19469 0.09189  67  LYS A CB    
555  C  CG    . LYS A 67  ? 0.54807 0.66310 0.38065 0.01872  -0.21967 0.08842  67  LYS A CG    
556  C  CD    . LYS A 67  ? 0.58244 0.70929 0.43967 0.03523  -0.23624 0.11568  67  LYS A CD    
557  C  CE    . LYS A 67  ? 0.60069 0.76328 0.46819 0.03352  -0.26310 0.11091  67  LYS A CE    
558  N  NZ    . LYS A 67  ? 0.69065 0.87948 0.61541 0.02960  -0.26534 0.09386  67  LYS A NZ    
559  N  N     . LEU A 68  ? 0.50883 0.55029 0.29180 -0.00290 -0.14576 0.05133  68  LEU A N     
560  C  CA    . LEU A 68  ? 0.49756 0.51898 0.28885 -0.00515 -0.12644 0.04548  68  LEU A CA    
561  C  C     . LEU A 68  ? 0.42659 0.44763 0.27402 0.00365  -0.12797 0.05182  68  LEU A C     
562  O  O     . LEU A 68  ? 0.41248 0.45201 0.29402 0.00644  -0.14333 0.04928  68  LEU A O     
563  C  CB    . LEU A 68  ? 0.42996 0.44662 0.21046 -0.01462 -0.11599 0.01498  68  LEU A CB    
564  C  CG    . LEU A 68  ? 0.42512 0.42505 0.22244 -0.01357 -0.09176 0.00360  68  LEU A CG    
565  C  CD1   . LEU A 68  ? 0.48032 0.46941 0.25819 -0.01060 -0.07190 0.01607  68  LEU A CD1   
566  C  CD2   . LEU A 68  ? 0.47479 0.46759 0.25972 -0.02131 -0.08562 -0.02391 68  LEU A CD2   
567  N  N     . LYS A 69  ? 0.35274 0.35507 0.21375 0.00833  -0.10908 0.05824  69  LYS A N     
568  C  CA    . LYS A 69  ? 0.32590 0.32284 0.23548 0.01711  -0.10448 0.05858  69  LYS A CA    
569  C  C     . LYS A 69  ? 0.34969 0.33467 0.26770 0.01279  -0.08290 0.04172  69  LYS A C     
570  O  O     . LYS A 69  ? 0.38842 0.36372 0.28422 0.00728  -0.06919 0.04203  69  LYS A O     
571  C  CB    . LYS A 69  ? 0.36924 0.35042 0.29002 0.02667  -0.10681 0.08388  69  LYS A CB    
572  C  CG    . LYS A 69  ? 0.44884 0.44058 0.35907 0.03298  -0.12969 0.10778  69  LYS A CG    
573  C  CD    . LYS A 69  ? 0.44488 0.46433 0.39031 0.04056  -0.14870 0.10308  69  LYS A CD    
574  C  CE    . LYS A 69  ? 0.46916 0.50216 0.41381 0.05017  -0.16309 0.12218  69  LYS A CE    
575  N  NZ    . LYS A 69  ? 0.44202 0.51216 0.39766 0.04843  -0.18053 0.11217  69  LYS A NZ    
576  N  N     . TRP A 70  ? 0.28233 0.27154 0.23346 0.01559  -0.07988 0.02875  70  TRP A N     
577  C  CA    . TRP A 70  ? 0.31309 0.29466 0.27146 0.01163  -0.06348 0.01400  70  TRP A CA    
578  C  C     . TRP A 70  ? 0.36538 0.33389 0.34846 0.01764  -0.05709 0.01641  70  TRP A C     
579  O  O     . TRP A 70  ? 0.31688 0.28999 0.32620 0.02571  -0.06048 0.01448  70  TRP A O     
580  C  CB    . TRP A 70  ? 0.30007 0.29431 0.26920 0.00758  -0.06376 -0.00244 70  TRP A CB    
581  C  CG    . TRP A 70  ? 0.30400 0.30263 0.24713 -0.00065 -0.06868 -0.01022 70  TRP A CG    
582  C  CD1   . TRP A 70  ? 0.26754 0.27742 0.19546 -0.00368 -0.08537 -0.00732 70  TRP A CD1   
583  C  CD2   . TRP A 70  ? 0.27356 0.26284 0.20108 -0.00655 -0.05747 -0.02346 70  TRP A CD2   
584  N  NE1   . TRP A 70  ? 0.32144 0.32651 0.22116 -0.01292 -0.08435 -0.02170 70  TRP A NE1   
585  C  CE2   . TRP A 70  ? 0.29865 0.28921 0.19979 -0.01331 -0.06591 -0.03151 70  TRP A CE2   
586  C  CE3   . TRP A 70  ? 0.25888 0.23854 0.19248 -0.00601 -0.04233 -0.02890 70  TRP A CE3   
587  C  CZ2   . TRP A 70  ? 0.33375 0.31081 0.21557 -0.01810 -0.05658 -0.04702 70  TRP A CZ2   
588  C  CZ3   . TRP A 70  ? 0.33555 0.30594 0.25436 -0.00907 -0.03448 -0.04002 70  TRP A CZ3   
589  C  CH2   . TRP A 70  ? 0.28147 0.24797 0.17527 -0.01439 -0.04008 -0.05006 70  TRP A CH2   
590  N  N     . ILE A 71  ? 0.25351 0.20669 0.22969 0.01325  -0.04726 0.01917  71  ILE A N     
591  C  CA    . ILE A 71  ? 0.28280 0.21876 0.27714 0.01500  -0.04197 0.01718  71  ILE A CA    
592  C  C     . ILE A 71  ? 0.27981 0.21895 0.27516 0.00862  -0.03294 0.00183  71  ILE A C     
593  O  O     . ILE A 71  ? 0.25901 0.20044 0.24446 0.00094  -0.02758 0.00278  71  ILE A O     
594  C  CB    . ILE A 71  ? 0.27661 0.19254 0.26630 0.01102  -0.04047 0.03295  71  ILE A CB    
595  C  CG1   . ILE A 71  ? 0.31240 0.22434 0.29721 0.01825  -0.05094 0.05339  71  ILE A CG1   
596  C  CG2   . ILE A 71  ? 0.31882 0.21170 0.32624 0.00993  -0.03623 0.02590  71  ILE A CG2   
597  C  CD1   . ILE A 71  ? 0.36702 0.25942 0.34213 0.01193  -0.04812 0.07435  71  ILE A CD1   
598  N  N     . TYR A 72  ? 0.25833 0.20029 0.26647 0.01255  -0.03075 -0.01054 72  TYR A N     
599  C  CA    . TYR A 72  ? 0.26411 0.20959 0.26880 0.00680  -0.02409 -0.02217 72  TYR A CA    
600  C  C     . TYR A 72  ? 0.19249 0.12373 0.19507 -0.00047 -0.02226 -0.02337 72  TYR A C     
601  O  O     . TYR A 72  ? 0.29235 0.20430 0.30159 0.00074  -0.02290 -0.02465 72  TYR A O     
602  C  CB    . TYR A 72  ? 0.24908 0.20061 0.26409 0.01209  -0.01992 -0.03316 72  TYR A CB    
603  C  CG    . TYR A 72  ? 0.23745 0.19385 0.24314 0.00621  -0.01380 -0.04182 72  TYR A CG    
604  C  CD1   . TYR A 72  ? 0.20125 0.17032 0.20226 0.00262  -0.01261 -0.04033 72  TYR A CD1   
605  C  CD2   . TYR A 72  ? 0.24747 0.19305 0.24647 0.00365  -0.01028 -0.05117 72  TYR A CD2   
606  C  CE1   . TYR A 72  ? 0.19203 0.16418 0.18366 -0.00179 -0.00816 -0.04339 72  TYR A CE1   
607  C  CE2   . TYR A 72  ? 0.23041 0.18257 0.21556 -0.00196 -0.00712 -0.05642 72  TYR A CE2   
608  C  CZ    . TYR A 72  ? 0.24019 0.20628 0.22252 -0.00392 -0.00619 -0.05019 72  TYR A CZ    
609  O  OH    . TYR A 72  ? 0.26108 0.23230 0.22877 -0.00863 -0.00424 -0.05065 72  TYR A OH    
610  N  N     . LEU A 73  ? 0.24591 0.18639 0.24241 -0.00823 -0.02074 -0.02294 73  LEU A N     
611  C  CA    . LEU A 73  ? 0.25116 0.18604 0.25020 -0.01827 -0.02202 -0.02421 73  LEU A CA    
612  C  C     . LEU A 73  ? 0.32928 0.26987 0.32271 -0.02217 -0.02336 -0.03564 73  LEU A C     
613  O  O     . LEU A 73  ? 0.40774 0.33697 0.39933 -0.02981 -0.02689 -0.04403 73  LEU A O     
614  C  CB    . LEU A 73  ? 0.27817 0.22597 0.28071 -0.02444 -0.02024 -0.01236 73  LEU A CB    
615  C  CG    . LEU A 73  ? 0.23006 0.17392 0.22931 -0.02227 -0.01736 0.00097  73  LEU A CG    
616  C  CD1   . LEU A 73  ? 0.26475 0.22546 0.26671 -0.02789 -0.01024 0.01143  73  LEU A CD1   
617  C  CD2   . LEU A 73  ? 0.23548 0.15457 0.23996 -0.02450 -0.02068 0.00601  73  LEU A CD2   
618  N  N     . GLY A 74  ? 0.24289 0.19822 0.23079 -0.01832 -0.02136 -0.03595 74  GLY A N     
619  C  CA    . GLY A 74  ? 0.28019 0.24079 0.25751 -0.02146 -0.02287 -0.04291 74  GLY A CA    
620  C  C     . GLY A 74  ? 0.20763 0.18524 0.18537 -0.02077 -0.02412 -0.03392 74  GLY A C     
621  O  O     . GLY A 74  ? 0.25363 0.23568 0.23848 -0.01563 -0.02051 -0.02685 74  GLY A O     
622  N  N     . LYS A 75  ? 0.23339 0.21864 0.20136 -0.02532 -0.02961 -0.03462 75  LYS A N     
623  C  CA    . LYS A 75  ? 0.28602 0.28543 0.25540 -0.02222 -0.03203 -0.02333 75  LYS A CA    
624  C  C     . LYS A 75  ? 0.34798 0.36540 0.33343 -0.02589 -0.04125 -0.01473 75  LYS A C     
625  O  O     . LYS A 75  ? 0.27989 0.31023 0.27593 -0.01922 -0.04237 -0.00288 75  LYS A O     
626  C  CB    . LYS A 75  ? 0.24606 0.24653 0.19312 -0.02396 -0.03338 -0.02402 75  LYS A CB    
627  C  CG    . LYS A 75  ? 0.28622 0.27796 0.22563 -0.01967 -0.02141 -0.02664 75  LYS A CG    
628  C  CD    . LYS A 75  ? 0.37811 0.37421 0.29488 -0.02215 -0.02069 -0.02096 75  LYS A CD    
629  C  CE    . LYS A 75  ? 0.45844 0.45326 0.34940 -0.02873 -0.02158 -0.03485 75  LYS A CE    
630  N  NZ    . LYS A 75  ? 0.49747 0.50031 0.35756 -0.03326 -0.02524 -0.02710 75  LYS A NZ    
631  N  N     . THR A 76  ? 0.23499 0.25374 0.22658 -0.03635 -0.04771 -0.01976 76  THR A N     
632  C  CA    . THR A 76  ? 0.24355 0.28583 0.25750 -0.04324 -0.05736 -0.01125 76  THR A CA    
633  C  C     . THR A 76  ? 0.24164 0.28689 0.27881 -0.04239 -0.04792 -0.00554 76  THR A C     
634  O  O     . THR A 76  ? 0.20631 0.23107 0.23613 -0.04121 -0.03939 -0.01022 76  THR A O     
635  C  CB    . THR A 76  ? 0.37131 0.41406 0.37745 -0.06041 -0.07224 -0.02088 76  THR A CB    
636  O  OG1   . THR A 76  ? 0.56066 0.57852 0.56546 -0.06808 -0.06770 -0.03211 76  THR A OG1   
637  C  CG2   . THR A 76  ? 0.44551 0.48173 0.41657 -0.06144 -0.07840 -0.02927 76  THR A CG2   
638  N  N     . LYS A 77  ? 0.24612 0.31959 0.31159 -0.04151 -0.04859 0.00648  77  LYS A N     
639  C  CA    . LYS A 77  ? 0.18772 0.26809 0.27242 -0.03995 -0.03536 0.01331  77  LYS A CA    
640  C  C     . LYS A 77  ? 0.18174 0.25161 0.27014 -0.05718 -0.03760 0.01089  77  LYS A C     
641  O  O     . LYS A 77  ? 0.21134 0.28273 0.30371 -0.07255 -0.05186 0.00595  77  LYS A O     
642  C  CB    . LYS A 77  ? 0.28963 0.40754 0.40970 -0.03393 -0.03270 0.02654  77  LYS A CB    
643  C  CG    . LYS A 77  ? 0.23030 0.37965 0.37958 -0.04899 -0.04861 0.03267  77  LYS A CG    
644  C  CD    . LYS A 77  ? 0.23346 0.42497 0.42879 -0.04363 -0.04022 0.04744  77  LYS A CD    
645  C  CE    . LYS A 77  ? 0.26064 0.48919 0.49210 -0.06275 -0.05823 0.05433  77  LYS A CE    
646  N  NZ    . LYS A 77  ? 0.13947 0.41280 0.41625 -0.05067 -0.05287 0.06854  77  LYS A NZ    
647  N  N     . PRO A 78  ? 0.21363 0.26695 0.29556 -0.05567 -0.02525 0.01335  78  PRO A N     
648  C  CA    . PRO A 78  ? 0.23840 0.26654 0.31588 -0.06893 -0.02789 0.01098  78  PRO A CA    
649  C  C     . PRO A 78  ? 0.26476 0.30718 0.37079 -0.08654 -0.02695 0.02220  78  PRO A C     
650  O  O     . PRO A 78  ? 0.24811 0.26619 0.35475 -0.10123 -0.03189 0.02013  78  PRO A O     
651  C  CB    . PRO A 78  ? 0.29238 0.29924 0.34959 -0.05758 -0.01700 0.01333  78  PRO A CB    
652  C  CG    . PRO A 78  ? 0.31222 0.34020 0.37002 -0.04527 -0.00539 0.01929  78  PRO A CG    
653  C  CD    . PRO A 78  ? 0.22927 0.27709 0.29762 -0.04021 -0.01104 0.01545  78  PRO A CD    
654  N  N     . ILE A 79  ? 0.24907 0.32931 0.38179 -0.08546 -0.01930 0.03424  79  ILE A N     
655  C  CA    . ILE A 79  ? 0.22611 0.33011 0.39440 -0.10373 -0.01643 0.04723  79  ILE A CA    
656  C  C     . ILE A 79  ? 0.25138 0.40010 0.45469 -0.10737 -0.02736 0.04954  79  ILE A C     
657  O  O     . ILE A 79  ? 0.21367 0.38553 0.42263 -0.08860 -0.02299 0.05174  79  ILE A O     
658  C  CB    . ILE A 79  ? 0.22377 0.33973 0.39657 -0.09825 0.00750  0.06303  79  ILE A CB    
659  C  CG1   . ILE A 79  ? 0.41787 0.49178 0.55455 -0.09559 0.01375  0.06451  79  ILE A CG1   
660  C  CG2   . ILE A 79  ? 0.19799 0.34772 0.41457 -0.11784 0.01405  0.07923  79  ILE A CG2   
661  C  CD1   . ILE A 79  ? 0.39015 0.47099 0.50825 -0.08202 0.03481  0.07376  79  ILE A CD1   
662  N  N     . GLN A 80  ? 0.25765 0.41322 0.47965 -0.12806 -0.04166 0.04713  80  GLN A N     
663  C  CA    . GLN A 80  ? 0.21850 0.41515 0.46804 -0.12745 -0.05244 0.04871  80  GLN A CA    
664  C  C     . GLN A 80  ? 0.29465 0.53293 0.58343 -0.12139 -0.03376 0.06539  80  GLN A C     
665  O  O     . GLN A 80  ? 0.25116 0.48440 0.54428 -0.12676 -0.01484 0.07396  80  GLN A O     
666  C  CB    . GLN A 80  ? 0.31187 0.50008 0.56204 -0.14842 -0.07089 0.03690  80  GLN A CB    
667  C  CG    . GLN A 80  ? 0.29000 0.43700 0.49729 -0.15109 -0.08552 0.01637  80  GLN A CG    
668  C  CD    . GLN A 80  ? 0.43230 0.58132 0.61522 -0.13264 -0.09125 0.01349  80  GLN A CD    
669  O  OE1   . GLN A 80  ? 0.51155 0.69116 0.70305 -0.12605 -0.10241 0.01749  80  GLN A OE1   
670  N  NE2   . GLN A 80  ? 0.34497 0.46039 0.49783 -0.12425 -0.08392 0.00790  80  GLN A NE2   
671  N  N     . ASN A 81  ? 0.21588 0.49308 0.52976 -0.10781 -0.03773 0.07027  81  ASN A N     
672  C  CA    . ASN A 81  ? 0.20311 0.52299 0.55629 -0.09578 -0.02043 0.08297  81  ASN A CA    
673  C  C     . ASN A 81  ? 0.18037 0.49813 0.52513 -0.07270 0.00689  0.08744  81  ASN A C     
674  O  O     . ASN A 81  ? 0.17081 0.51880 0.54244 -0.05920 0.02483  0.09427  81  ASN A O     
675  C  CB    . ASN A 81  ? 0.24366 0.58182 0.62621 -0.11532 -0.01178 0.08978  81  ASN A CB    
676  C  CG    . ASN A 81  ? 0.33546 0.68860 0.73865 -0.13590 -0.03653 0.08540  81  ASN A CG    
677  O  OD1   . ASN A 81  ? 0.37685 0.76832 0.80973 -0.12969 -0.04778 0.08898  81  ASN A OD1   
678  N  ND2   . ASN A 81  ? 0.31071 0.63162 0.69753 -0.15991 -0.04536 0.07698  81  ASN A ND2   
679  N  N     . MET A 82  ? 0.20840 0.49162 0.51622 -0.06706 0.01128  0.08199  82  MET A N     
680  C  CA    . MET A 82  ? 0.19349 0.47427 0.48977 -0.04316 0.03586  0.08259  82  MET A CA    
681  C  C     . MET A 82  ? 0.18787 0.48185 0.49670 -0.01923 0.03079  0.08083  82  MET A C     
682  O  O     . MET A 82  ? 0.14008 0.43994 0.45607 -0.02277 0.00569  0.08076  82  MET A O     
683  C  CB    . MET A 82  ? 0.23729 0.46334 0.47429 -0.04076 0.03822  0.07065  82  MET A CB    
684  C  CG    . MET A 82  ? 0.26501 0.45848 0.47090 -0.03715 0.01763  0.05783  82  MET A CG    
685  S  SD    . MET A 82  ? 0.32806 0.46644 0.47771 -0.03921 0.01888  0.04661  82  MET A SD    
686  C  CE    . MET A 82  ? 0.22666 0.36313 0.35794 -0.02070 0.04582  0.04643  82  MET A CE    
687  N  N     . PRO A 83  ? 0.16692 0.46039 0.47334 0.00531  0.05417  0.07860  83  PRO A N     
688  C  CA    . PRO A 83  ? 0.14137 0.43400 0.45546 0.02926  0.04962  0.07694  83  PRO A CA    
689  C  C     . PRO A 83  ? 0.13269 0.39002 0.41242 0.02939  0.02927  0.07035  83  PRO A C     
690  O  O     . PRO A 83  ? 0.14687 0.36412 0.38025 0.02012  0.02780  0.05882  83  PRO A O     
691  C  CB    . PRO A 83  ? 0.18050 0.45976 0.48168 0.05145  0.08040  0.06858  83  PRO A CB    
692  C  CG    . PRO A 83  ? 0.17334 0.46909 0.47717 0.03978  0.09980  0.07088  83  PRO A CG    
693  C  CD    . PRO A 83  ? 0.20167 0.49530 0.49852 0.01134  0.08529  0.07716  83  PRO A CD    
694  N  N     . ASN A 84  ? 0.13114 0.40169 0.42997 0.03870  0.01219  0.07815  84  ASN A N     
695  C  CA    . ASN A 84  ? 0.13135 0.36940 0.39311 0.03571  -0.00816 0.07352  84  ASN A CA    
696  C  C     . ASN A 84  ? 0.14720 0.34290 0.37868 0.05447  0.00542  0.06479  84  ASN A C     
697  O  O     . ASN A 84  ? 0.15073 0.34943 0.40259 0.07622  0.02259  0.06678  84  ASN A O     
698  C  CB    . ASN A 84  ? 0.17703 0.44405 0.46315 0.03640  -0.03324 0.08766  84  ASN A CB    
699  C  CG    . ASN A 84  ? 0.22257 0.51268 0.51657 0.01048  -0.05188 0.08750  84  ASN A CG    
700  O  OD1   . ASN A 84  ? 0.25806 0.53433 0.53111 -0.01034 -0.05700 0.07833  84  ASN A OD1   
701  N  ND2   . ASN A 84  ? 0.16800 0.49019 0.49258 0.01150  -0.06176 0.09633  84  ASN A ND2   
702  N  N     . PRO A 85  ? 0.20002 0.29367 0.24176 -0.05139 -0.05427 -0.05679 85  PRO A N     
703  C  CA    . PRO A 85  ? 0.22086 0.28253 0.29606 -0.02063 -0.02713 -0.06884 85  PRO A CA    
704  C  C     . PRO A 85  ? 0.24628 0.31144 0.34986 -0.02854 -0.05656 -0.00767 85  PRO A C     
705  O  O     . PRO A 85  ? 0.25396 0.34624 0.33037 -0.06909 -0.09559 0.04215  85  PRO A O     
706  C  CB    . PRO A 85  ? 0.26814 0.28501 0.24841 -0.03889 0.00958  -0.09558 85  PRO A CB    
707  C  CG    . PRO A 85  ? 0.33403 0.34549 0.24254 -0.07468 -0.00082 -0.07852 85  PRO A CG    
708  C  CD    . PRO A 85  ? 0.38402 0.43761 0.30933 -0.09098 -0.03786 -0.06655 85  PRO A CD    
709  N  N     . PRO A 86  ? 0.24720 0.28997 0.40805 0.00637  -0.03806 -0.00598 86  PRO A N     
710  C  CA    . PRO A 86  ? 0.27826 0.33111 0.48252 0.00440  -0.05961 0.05587  86  PRO A CA    
711  C  C     . PRO A 86  ? 0.27564 0.31745 0.39775 -0.04058 -0.07388 0.06969  86  PRO A C     
712  O  O     . PRO A 86  ? 0.32156 0.32489 0.35800 -0.05756 -0.05376 0.02668  86  PRO A O     
713  C  CB    . PRO A 86  ? 0.32282 0.33949 0.59416 0.05199  -0.02551 0.04019  86  PRO A CB    
714  C  CG    . PRO A 86  ? 0.21482 0.19989 0.42490 0.05415  0.00860  -0.02807 86  PRO A CG    
715  C  CD    . PRO A 86  ? 0.22947 0.23839 0.41574 0.04407  0.00532  -0.05753 86  PRO A CD    
716  N  N     . GLN A 87  ? 0.31200 0.39101 0.46491 -0.05926 -0.10619 0.13694  87  GLN A N     
717  C  CA    . GLN A 87  ? 0.37802 0.45210 0.47052 -0.09652 -0.12148 0.15761  87  GLN A CA    
718  C  C     . GLN A 87  ? 0.35132 0.38168 0.46188 -0.06421 -0.09273 0.13697  87  GLN A C     
719  O  O     . GLN A 87  ? 0.33000 0.37057 0.53138 -0.03230 -0.08643 0.16768  87  GLN A O     
720  C  CB    . GLN A 87  ? 0.48211 0.62422 0.62237 -0.12377 -0.16219 0.24203  87  GLN A CB    
721  C  CG    . GLN A 87  ? 0.65326 0.82279 0.69972 -0.19466 -0.20054 0.26516  87  GLN A CG    
722  C  CD    . GLN A 87  ? 0.66927 0.85486 0.69223 -0.21160 -0.21293 0.25589  87  GLN A CD    
723  O  OE1   . GLN A 87  ? 0.75017 0.96110 0.86375 -0.17230 -0.20953 0.27009  87  GLN A OE1   
724  N  NE2   . GLN A 87  ? 0.71373 0.86752 0.62223 -0.26224 -0.20796 0.22474  87  GLN A NE2   
725  N  N     . ILE A 88  ? 0.36929 0.34848 0.39293 -0.07306 -0.07158 0.09001  88  ILE A N     
726  C  CA    . ILE A 88  ? 0.37570 0.31542 0.39990 -0.05253 -0.05191 0.08012  88  ILE A CA    
727  C  C     . ILE A 88  ? 0.41024 0.34738 0.36973 -0.08667 -0.07357 0.10890  88  ILE A C     
728  O  O     . ILE A 88  ? 0.52518 0.45757 0.39445 -0.12920 -0.08489 0.10671  88  ILE A O     
729  C  CB    . ILE A 88  ? 0.41679 0.30665 0.39849 -0.03666 -0.01107 0.02153  88  ILE A CB    
730  C  CG1   . ILE A 88  ? 0.40884 0.31105 0.44354 -0.01165 0.00637  -0.00902 88  ILE A CG1   
731  C  CG2   . ILE A 88  ? 0.47623 0.32938 0.47112 -0.01448 0.00662  0.01876  88  ILE A CG2   
732  C  CD1   . ILE A 88  ? 0.33264 0.22705 0.45997 0.02847  0.02028  -0.00702 88  ILE A CD1   
733  N  N     . PRO A 89  ? 0.47716 0.41524 0.47731 -0.07112 -0.07871 0.13678  89  PRO A N     
734  C  CA    . PRO A 89  ? 0.54831 0.47302 0.48106 -0.09598 -0.09342 0.15577  89  PRO A CA    
735  C  C     . PRO A 89  ? 0.68292 0.53839 0.50270 -0.10532 -0.06568 0.11471  89  PRO A C     
736  O  O     . PRO A 89  ? 0.71980 0.53925 0.53992 -0.07934 -0.03203 0.07930  89  PRO A O     
737  C  CB    . PRO A 89  ? 0.57340 0.50623 0.58796 -0.06195 -0.09335 0.18221  89  PRO A CB    
738  C  CG    . PRO A 89  ? 0.48142 0.45548 0.61086 -0.03701 -0.09035 0.20269  89  PRO A CG    
739  C  CD    . PRO A 89  ? 0.46741 0.42279 0.58171 -0.03195 -0.07184 0.15994  89  PRO A CD    
740  N  N     . GLU A 90  ? 0.66446 0.49950 0.58034 -0.01172 -0.09271 0.07094  90  GLU A N     
741  C  CA    . GLU A 90  ? 0.74039 0.57158 0.60444 -0.02614 -0.05076 0.03556  90  GLU A CA    
742  C  C     . GLU A 90  ? 0.75979 0.56811 0.62444 -0.03970 -0.02921 0.02489  90  GLU A C     
743  O  O     . GLU A 90  ? 0.80209 0.60955 0.65206 -0.04252 0.01102  -0.00255 90  GLU A O     
744  C  CB    . GLU A 90  ? 0.83267 0.65293 0.60359 -0.07646 -0.04212 0.05171  90  GLU A CB    
745  C  CG    . GLU A 90  ? 0.82783 0.63727 0.54433 -0.09252 0.01377  0.01708  90  GLU A CG    
746  C  CD    . GLU A 90  ? 0.89509 0.71167 0.54683 -0.10831 0.02414  0.01616  90  GLU A CD    
747  O  OE1   . GLU A 90  ? 1.07565 0.87627 0.65524 -0.16046 0.00677  0.05171  90  GLU A OE1   
748  O  OE2   . GLU A 90  ? 0.91891 0.75900 0.58963 -0.07272 0.04776  -0.01716 90  GLU A OE2   
749  N  N     . SER A 91  ? 0.66095 0.45303 0.55135 -0.04462 -0.05355 0.04801  91  SER A N     
750  C  CA    . SER A 91  ? 0.72056 0.48309 0.58305 -0.07653 -0.04334 0.05129  91  SER A CA    
751  C  C     . SER A 91  ? 0.64927 0.41617 0.53992 -0.05424 -0.01125 0.01710  91  SER A C     
752  O  O     . SER A 91  ? 0.53624 0.32894 0.47830 -0.01587 -0.00616 -0.00304 91  SER A O     
753  C  CB    . SER A 91  ? 0.72441 0.47285 0.61403 -0.08366 -0.08072 0.08719  91  SER A CB    
754  O  OG    . SER A 91  ? 0.73371 0.48328 0.68626 -0.04455 -0.07910 0.07289  91  SER A OG    
755  N  N     . THR A 92  ? 0.61740 0.35876 0.47237 -0.08515 0.00994  0.01418  92  THR A N     
756  C  CA    . THR A 92  ? 0.59182 0.34019 0.47216 -0.07210 0.04161  -0.00766 92  THR A CA    
757  C  C     . THR A 92  ? 0.56392 0.32237 0.49620 -0.04400 0.02192  -0.00859 92  THR A C     
758  O  O     . THR A 92  ? 0.59097 0.32872 0.52318 -0.04906 -0.00557 0.00826  92  THR A O     
759  C  CB    . THR A 92  ? 0.64548 0.35686 0.47640 -0.11423 0.06681  -0.00629 92  THR A CB    
760  O  OG1   . THR A 92  ? 0.68528 0.37485 0.45738 -0.15042 0.09585  -0.00787 92  THR A OG1   
761  C  CG2   . THR A 92  ? 0.61946 0.34306 0.48535 -0.10115 0.10051  -0.01983 92  THR A CG2   
762  N  N     . ILE A 93  ? 0.51432 0.30361 0.49012 -0.01965 0.03836  -0.02558 93  ILE A N     
763  C  CA    . ILE A 93  ? 0.49785 0.29192 0.50783 -0.00708 0.03046  -0.02844 93  ILE A CA    
764  C  C     . ILE A 93  ? 0.47986 0.29596 0.50376 -0.01438 0.05838  -0.03224 93  ILE A C     
765  O  O     . ILE A 93  ? 0.44259 0.29397 0.49445 -0.00679 0.07974  -0.03812 93  ILE A O     
766  C  CB    . ILE A 93  ? 0.45980 0.27142 0.51164 0.01905  0.01862  -0.03894 93  ILE A CB    
767  C  CG1   . ILE A 93  ? 0.47693 0.27014 0.52976 0.02909  -0.00685 -0.02682 93  ILE A CG1   
768  C  CG2   . ILE A 93  ? 0.45738 0.26361 0.52965 0.01790  0.02006  -0.04350 93  ILE A CG2   
769  C  CD1   . ILE A 93  ? 0.44156 0.24695 0.53642 0.05515  -0.01310 -0.03929 93  ILE A CD1   
770  N  N     . ILE A 94  ? 0.50630 0.30456 0.51516 -0.02970 0.05829  -0.02439 94  ILE A N     
771  C  CA    . ILE A 94  ? 0.49378 0.31514 0.51940 -0.03987 0.08181  -0.01810 94  ILE A CA    
772  C  C     . ILE A 94  ? 0.49726 0.31760 0.52426 -0.04602 0.06867  -0.01374 94  ILE A C     
773  O  O     . ILE A 94  ? 0.53561 0.31737 0.52814 -0.05330 0.05349  -0.01249 94  ILE A O     
774  C  CB    . ILE A 94  ? 0.53227 0.32788 0.52560 -0.06163 0.10264  -0.01147 94  ILE A CB    
775  C  CG1   . ILE A 94  ? 0.56997 0.35169 0.54446 -0.06821 0.12442  -0.01746 94  ILE A CG1   
776  C  CG2   . ILE A 94  ? 0.51564 0.34111 0.54264 -0.06859 0.12980  0.00261  94  ILE A CG2   
777  C  CD1   . ILE A 94  ? 0.60427 0.33996 0.52931 -0.10148 0.14532  -0.01577 94  ILE A CD1   
778  N  N     . LYS A 95  ? 0.46675 0.32845 0.52999 -0.04943 0.07614  -0.00866 95  LYS A N     
779  C  CA    . LYS A 95  ? 0.50039 0.36150 0.55223 -0.07015 0.07085  -0.00040 95  LYS A CA    
780  C  C     . LYS A 95  ? 0.49532 0.37575 0.54584 -0.09010 0.08464  0.02325  95  LYS A C     
781  O  O     . LYS A 95  ? 0.45037 0.37820 0.54856 -0.09183 0.10270  0.04138  95  LYS A O     
782  C  CB    . LYS A 95  ? 0.46370 0.35733 0.54645 -0.07860 0.06902  -0.00266 95  LYS A CB    
783  C  CG    . LYS A 95  ? 0.53741 0.39494 0.58478 -0.10065 0.06383  -0.00893 95  LYS A CG    
784  C  CD    . LYS A 95  ? 0.60463 0.48803 0.67156 -0.12507 0.06571  -0.01142 95  LYS A CD    
785  C  CE    . LYS A 95  ? 0.71973 0.54473 0.74736 -0.14478 0.07165  -0.02847 95  LYS A CE    
786  N  NZ    . LYS A 95  ? 0.79388 0.60285 0.76986 -0.18694 0.07984  -0.01194 95  LYS A NZ    
787  N  N     . GLU A 96  ? 0.52632 0.37071 0.52801 -0.10431 0.07786  0.02588  96  GLU A N     
788  C  CA    . GLU A 96  ? 0.66072 0.52134 0.65295 -0.12771 0.08641  0.04995  96  GLU A CA    
789  C  C     . GLU A 96  ? 0.72722 0.55899 0.66414 -0.15064 0.07427  0.04972  96  GLU A C     
790  O  O     . GLU A 96  ? 0.71272 0.49117 0.60796 -0.14335 0.06388  0.03093  96  GLU A O     
791  C  CB    . GLU A 96  ? 0.65200 0.48780 0.62750 -0.12472 0.09757  0.05014  96  GLU A CB    
792  C  CG    . GLU A 96  ? 0.72315 0.59783 0.74149 -0.13385 0.12486  0.07879  96  GLU A CG    
793  C  CD    . GLU A 96  ? 0.82020 0.65439 0.81703 -0.13527 0.14434  0.07114  96  GLU A CD    
794  O  OE1   . GLU A 96  ? 0.93798 0.71821 0.87775 -0.13617 0.12797  0.04650  96  GLU A OE1   
795  O  OE2   . GLU A 96  ? 0.83427 0.68846 0.87378 -0.13985 0.17788  0.09249  96  GLU A OE2   
796  N  N     . ASP A 97  ? 0.80769 0.67501 0.74490 -0.18265 0.07764  0.07507  97  ASP A N     
797  C  CA    . ASP A 97  ? 0.79089 0.63190 0.66086 -0.21548 0.07384  0.08205  97  ASP A CA    
798  C  C     . ASP A 97  ? 0.74126 0.52448 0.56705 -0.21852 0.07269  0.05424  97  ASP A C     
799  O  O     . ASP A 97  ? 0.98947 0.71820 0.76329 -0.21635 0.07118  0.04123  97  ASP A O     
800  C  CB    . ASP A 97  ? 0.75494 0.57142 0.58705 -0.21317 0.07218  0.08556  97  ASP A CB    
801  C  CG    . ASP A 97  ? 0.82853 0.69666 0.70711 -0.21737 0.08383  0.11871  97  ASP A CG    
802  O  OD1   . ASP A 97  ? 0.93408 0.85937 0.84485 -0.24349 0.08757  0.15566  97  ASP A OD1   
803  O  OD2   . ASP A 97  ? 0.86896 0.71857 0.75400 -0.19959 0.09173  0.11116  97  ASP A OD2   
804  N  N     . ASN A 98  ? 0.89660 0.69058 0.74977 -0.22395 0.07688  0.04605  98  ASN A N     
805  C  CA    . ASN A 98  ? 0.90985 0.65006 0.74894 -0.21959 0.08475  0.01801  98  ASN A CA    
806  C  C     . ASN A 98  ? 0.84839 0.53659 0.68660 -0.17891 0.07969  -0.00091 98  ASN A C     
807  O  O     . ASN A 98  ? 0.89752 0.52751 0.70975 -0.18118 0.09192  -0.01343 98  ASN A O     
808  C  CB    . ASN A 98  ? 0.93737 0.64017 0.71006 -0.27216 0.10326  0.01880  98  ASN A CB    
809  C  CG    . ASN A 98  ? 1.06879 0.74356 0.77258 -0.29065 0.10564  0.02920  98  ASN A CG    
810  O  OD1   . ASN A 98  ? 1.14944 0.76807 0.82837 -0.26868 0.10930  0.01329  98  ASN A OD1   
811  N  ND2   . ASN A 98  ? 1.10606 0.84093 0.79763 -0.31084 0.09423  0.05302  98  ASN A ND2   
812  N  N     . GLU A 99  ? 0.80375 0.51051 0.67172 -0.14726 0.06514  0.00085  99  GLU A N     
813  C  CA    . GLU A 99  ? 0.66448 0.33443 0.54060 -0.11663 0.05403  -0.00865 99  GLU A CA    
814  C  C     . GLU A 99  ? 0.62133 0.32394 0.54381 -0.09143 0.04553  -0.01085 99  GLU A C     
815  O  O     . GLU A 99  ? 0.58477 0.33406 0.52985 -0.09429 0.05127  -0.00524 99  GLU A O     
816  C  CB    . GLU A 99  ? 0.69788 0.34053 0.53232 -0.12061 0.04375  -0.00237 99  GLU A CB    
817  C  CG    . GLU A 99  ? 0.85272 0.46960 0.62929 -0.14889 0.05322  0.00097  99  GLU A CG    
818  C  CD    . GLU A 99  ? 0.93916 0.50683 0.68063 -0.14552 0.04375  -0.00018 99  GLU A CD    
819  O  OE1   . GLU A 99  ? 1.06520 0.58794 0.78551 -0.15113 0.05759  -0.00420 99  GLU A OE1   
820  O  OE2   . GLU A 99  ? 0.99143 0.56216 0.72534 -0.14171 0.02600  0.00331  99  GLU A OE2   
821  N  N     . TYR A 100 ? 0.62874 0.30735 0.56747 -0.06905 0.03392  -0.01445 100 TYR A N     
822  C  CA    . TYR A 100 ? 0.59919 0.30116 0.56597 -0.05084 0.02552  -0.01509 100 TYR A CA    
823  C  C     . TYR A 100 ? 0.62714 0.30895 0.56876 -0.05533 0.01058  -0.00483 100 TYR A C     
824  O  O     . TYR A 100 ? 0.66287 0.30992 0.59388 -0.05679 -0.00373 0.00461  100 TYR A O     
825  C  CB    . TYR A 100 ? 0.58648 0.28281 0.59119 -0.02896 0.02099  -0.02106 100 TYR A CB    
826  C  CG    . TYR A 100 ? 0.55855 0.27275 0.58716 -0.02995 0.03517  -0.03577 100 TYR A CG    
827  C  CD1   . TYR A 100 ? 0.51006 0.27273 0.56178 -0.02628 0.03784  -0.04232 100 TYR A CD1   
828  C  CD2   . TYR A 100 ? 0.61597 0.29396 0.64308 -0.03941 0.04933  -0.04315 100 TYR A CD2   
829  C  CE1   . TYR A 100 ? 0.49557 0.27666 0.56863 -0.03441 0.04615  -0.05443 100 TYR A CE1   
830  C  CE2   . TYR A 100 ? 0.63091 0.31829 0.67118 -0.05231 0.06335  -0.05831 100 TYR A CE2   
831  C  CZ    . TYR A 100 ? 0.62800 0.37013 0.69164 -0.05071 0.05751  -0.06328 100 TYR A CZ    
832  O  OH    . TYR A 100 ? 0.63814 0.39180 0.71407 -0.07066 0.06699  -0.07705 100 TYR A OH    
833  N  N     . ILE A 101 ? 0.61575 0.31641 0.54954 -0.06215 0.01710  -0.00489 101 ILE A N     
834  C  CA    . ILE A 101 ? 0.64718 0.32590 0.55187 -0.07671 0.00562  0.00301  101 ILE A CA    
835  C  C     . ILE A 101 ? 0.63545 0.32392 0.55859 -0.06537 -0.00427 0.00693  101 ILE A C     
836  O  O     . ILE A 101 ? 0.59956 0.31732 0.54255 -0.05326 0.01143  -0.00321 101 ILE A O     
837  C  CB    . ILE A 101 ? 0.70241 0.38142 0.57959 -0.09903 0.02867  -0.00059 101 ILE A CB    
838  C  CG1   . ILE A 101 ? 0.78432 0.46515 0.65311 -0.10647 0.03922  -0.00043 101 ILE A CG1   
839  C  CG2   . ILE A 101 ? 0.77674 0.41856 0.60602 -0.13024 0.01780  0.00576  101 ILE A CG2   
840  C  CD1   . ILE A 101 ? 0.78881 0.51234 0.69385 -0.10161 0.06901  0.00164  101 ILE A CD1   
841  N  N     . VAL A 102 ? 0.66576 0.33310 0.58560 -0.07072 -0.03160 0.02629  102 VAL A N     
842  C  CA    . VAL A 102 ? 0.65804 0.33661 0.60031 -0.06048 -0.04728 0.03979  102 VAL A CA    
843  C  C     . VAL A 102 ? 0.79556 0.45626 0.70136 -0.09712 -0.07148 0.06798  102 VAL A C     
844  O  O     . VAL A 102 ? 0.74532 0.38106 0.61676 -0.12651 -0.07941 0.07539  102 VAL A O     
845  C  CB    . VAL A 102 ? 0.64521 0.32195 0.64482 -0.02943 -0.05704 0.04791  102 VAL A CB    
846  C  CG1   . VAL A 102 ? 0.60678 0.29646 0.63018 -0.00808 -0.03277 0.01963  102 VAL A CG1   
847  C  CG2   . VAL A 102 ? 0.68464 0.33008 0.69278 -0.03557 -0.07093 0.06952  102 VAL A CG2   
848  N  N     . ASP A 103 ? 0.81122 0.48558 0.72012 -0.10130 -0.08531 0.08592  103 ASP A N     
849  C  CA    . ASP A 103 ? 0.80553 0.46788 0.67547 -0.14845 -0.11203 0.12150  103 ASP A CA    
850  C  C     . ASP A 103 ? 0.90680 0.57216 0.82900 -0.14417 -0.15112 0.16883  103 ASP A C     
851  O  O     . ASP A 103 ? 0.95034 0.59836 0.85766 -0.17889 -0.17429 0.19637  103 ASP A O     
852  C  CB    . ASP A 103 ? 0.89400 0.56911 0.72557 -0.16838 -0.10467 0.12306  103 ASP A CB    
853  C  CG    . ASP A 103 ? 0.91524 0.57794 0.69233 -0.18625 -0.05967 0.08637  103 ASP A CG    
854  O  OD1   . ASP A 103 ? 0.98893 0.63369 0.75649 -0.19018 -0.03952 0.06667  103 ASP A OD1   
855  O  OD2   . ASP A 103 ? 0.90127 0.57119 0.64798 -0.19620 -0.04091 0.07936  103 ASP A OD2   
856  N  N     . GLU A 104 ? 0.97293 0.65993 0.96001 -0.10416 -0.15640 0.18039  104 GLU A N     
857  C  CA    . GLU A 104 ? 0.97946 0.67359 1.04873 -0.08305 -0.18078 0.22715  104 GLU A CA    
858  C  C     . GLU A 104 ? 0.86795 0.59202 0.95230 -0.08119 -0.19653 0.25341  104 GLU A C     
859  O  O     . GLU A 104 ? 0.94500 0.68054 1.10896 -0.05233 -0.20734 0.28622  104 GLU A O     
860  C  CB    . GLU A 104 ? 0.83090 0.51428 0.91793 -0.11519 -0.21325 0.28058  104 GLU A CB    
861  C  CG    . GLU A 104 ? 0.98515 0.66159 1.17669 -0.07903 -0.21597 0.31599  104 GLU A CG    
862  C  CD    . GLU A 104 ? 0.94784 0.59973 1.17422 -0.02896 -0.17303 0.26985  104 GLU A CD    
863  O  OE1   . GLU A 104 ? 1.00455 0.65928 1.30962 0.00429  -0.15650 0.28297  104 GLU A OE1   
864  O  OE2   . GLU A 104 ? 0.97459 0.61205 1.14451 -0.02867 -0.14891 0.21744  104 GLU A OE2   
865  N  N     . MET B 4   ? 1.02785 0.86145 0.88251 0.17577  0.42382  -0.15487 4   MET B N     
866  C  CA    . MET B 4   ? 1.11550 0.91081 0.92391 0.18799  0.40564  -0.16230 4   MET B CA    
867  C  C     . MET B 4   ? 0.94790 0.70108 0.72375 0.18566  0.37957  -0.14108 4   MET B C     
868  O  O     . MET B 4   ? 1.03626 0.78694 0.84023 0.18333  0.36950  -0.12548 4   MET B O     
869  C  CB    . MET B 4   ? 0.98334 0.78465 0.83490 0.21270  0.39485  -0.19379 4   MET B CB    
870  C  CG    . MET B 4   ? 1.14285 0.92950 0.95671 0.22179  0.39365  -0.21514 4   MET B CG    
871  S  SD    . MET B 4   ? 1.26908 1.08762 1.04629 0.20958  0.42916  -0.22430 4   MET B SD    
872  C  CE    . MET B 4   ? 1.17420 1.05556 1.03466 0.21788  0.44958  -0.24976 4   MET B CE    
873  N  N     . ARG B 5   ? 0.97564 0.69976 0.69427 0.18653  0.36787  -0.14417 5   ARG B N     
874  C  CA    . ARG B 5   ? 1.04012 0.73185 0.72552 0.18188  0.34371  -0.13049 5   ARG B CA    
875  C  C     . ARG B 5   ? 0.96936 0.63112 0.66067 0.19263  0.32237  -0.14955 5   ARG B C     
876  O  O     . ARG B 5   ? 1.00602 0.66410 0.69104 0.20254  0.32261  -0.17366 5   ARG B O     
877  C  CB    . ARG B 5   ? 1.09924 0.78214 0.71718 0.17417  0.34065  -0.12260 5   ARG B CB    
878  N  N     . VAL B 6   ? 0.94125 0.58036 0.64566 0.18804  0.30320  -0.13845 6   VAL B N     
879  C  CA    . VAL B 6   ? 0.98747 0.59262 0.70528 0.19040  0.27872  -0.14920 6   VAL B CA    
880  C  C     . VAL B 6   ? 0.93404 0.52319 0.63069 0.16862  0.25507  -0.13639 6   VAL B C     
881  O  O     . VAL B 6   ? 0.89458 0.50220 0.59678 0.15595  0.25095  -0.11346 6   VAL B O     
882  C  CB    . VAL B 6   ? 0.95764 0.56256 0.73146 0.20174  0.27186  -0.14504 6   VAL B CB    
883  C  CG1   . VAL B 6   ? 1.02175 0.58065 0.79726 0.19525  0.24167  -0.13882 6   VAL B CG1   
884  C  CG2   . VAL B 6   ? 0.97325 0.58700 0.77160 0.22759  0.28805  -0.17320 6   VAL B CG2   
885  N  N     . LYS B 7   ? 0.96468 0.52256 0.63911 0.16281  0.24112  -0.15467 7   LYS B N     
886  C  CA    . LYS B 7   ? 0.95205 0.49756 0.61508 0.13833  0.22093  -0.14966 7   LYS B CA    
887  C  C     . LYS B 7   ? 0.96724 0.46778 0.64775 0.12917  0.20610  -0.14635 7   LYS B C     
888  O  O     . LYS B 7   ? 1.01314 0.47485 0.69192 0.13941  0.20442  -0.16384 7   LYS B O     
889  C  CB    . LYS B 7   ? 0.98017 0.52447 0.60520 0.13195  0.21572  -0.17571 7   LYS B CB    
890  C  CG    . LYS B 7   ? 0.98791 0.55202 0.60383 0.10981  0.20069  -0.17152 7   LYS B CG    
891  C  CD    . LYS B 7   ? 1.05658 0.63565 0.63735 0.10991  0.19301  -0.20034 7   LYS B CD    
892  C  CE    . LYS B 7   ? 1.01047 0.59476 0.55700 0.13624  0.20642  -0.21201 7   LYS B CE    
893  N  NZ    . LYS B 7   ? 1.04231 0.64626 0.55522 0.13873  0.19138  -0.23827 7   LYS B NZ    
894  N  N     . VAL B 8   ? 0.93687 0.43717 0.62810 0.11043  0.19517  -0.12411 8   VAL B N     
895  C  CA    . VAL B 8   ? 0.95760 0.40958 0.65597 0.10226  0.18200  -0.11328 8   VAL B CA    
896  C  C     . VAL B 8   ? 0.99988 0.43370 0.67774 0.06635  0.17312  -0.11500 8   VAL B C     
897  O  O     . VAL B 8   ? 0.92691 0.40347 0.60340 0.05063  0.17327  -0.11410 8   VAL B O     
898  C  CB    . VAL B 8   ? 1.01489 0.48150 0.74310 0.11155  0.17817  -0.08612 8   VAL B CB    
899  C  CG1   . VAL B 8   ? 0.96578 0.37132 0.69211 0.11564  0.16226  -0.07809 8   VAL B CG1   
900  C  CG2   . VAL B 8   ? 0.95900 0.46898 0.71550 0.13861  0.19316  -0.08747 8   VAL B CG2   
901  N  N     . ASN B 9   ? 1.01986 0.38827 0.68066 0.05330  0.16607  -0.11967 9   ASN B N     
902  C  CA    . ASN B 9   ? 1.03819 0.38214 0.67949 0.01288  0.16261  -0.12209 9   ASN B CA    
903  C  C     . ASN B 9   ? 0.99221 0.36417 0.64345 -0.00361 0.15911  -0.09637 9   ASN B C     
904  O  O     . ASN B 9   ? 0.97411 0.34560 0.63850 0.01361  0.15403  -0.07146 9   ASN B O     
905  C  CB    . ASN B 9   ? 1.11999 0.37177 0.73323 0.00314  0.15794  -0.12429 9   ASN B CB    
906  C  CG    . ASN B 9   ? 1.26888 0.48358 0.85786 -0.04144 0.15815  -0.11608 9   ASN B CG    
907  O  OD1   . ASN B 9   ? 1.29380 0.45339 0.86299 -0.04440 0.15144  -0.09143 9   ASN B OD1   
908  N  ND2   . ASN B 9   ? 1.28505 0.53040 0.87368 -0.07628 0.16600  -0.13941 9   ASN B ND2   
909  N  N     . GLU B 10  ? 0.97380 0.37605 0.62230 -0.03605 0.16111  -0.10724 10  GLU B N     
910  C  CA    . GLU B 10  ? 0.96342 0.40740 0.62504 -0.05052 0.15865  -0.08964 10  GLU B CA    
911  C  C     . GLU B 10  ? 0.95115 0.34364 0.59800 -0.06565 0.15501  -0.06426 10  GLU B C     
912  O  O     . GLU B 10  ? 0.95019 0.36532 0.61079 -0.05725 0.14993  -0.04040 10  GLU B O     
913  C  CB    . GLU B 10  ? 0.94633 0.43597 0.61123 -0.08012 0.16042  -0.11574 10  GLU B CB    
914  C  CG    . GLU B 10  ? 0.99613 0.50861 0.66736 -0.11041 0.16015  -0.10732 10  GLU B CG    
915  C  CD    . GLU B 10  ? 1.04387 0.58570 0.71847 -0.14728 0.16425  -0.14324 10  GLU B CD    
916  O  OE1   . GLU B 10  ? 1.01212 0.50595 0.66838 -0.17680 0.17294  -0.16007 10  GLU B OE1   
917  O  OE2   . GLU B 10  ? 1.09064 0.70291 0.78702 -0.14645 0.15839  -0.15733 10  GLU B OE2   
918  N  N     . LYS B 11  ? 1.06156 0.37855 0.67492 -0.08740 0.15718  -0.06904 11  LYS B N     
919  C  CA    . LYS B 11  ? 1.17617 0.42707 0.75899 -0.09909 0.15249  -0.04290 11  LYS B CA    
920  C  C     . LYS B 11  ? 1.14509 0.37301 0.73422 -0.05407 0.13820  -0.01992 11  LYS B C     
921  O  O     . LYS B 11  ? 1.17196 0.39080 0.75593 -0.04961 0.12898  0.00510  11  LYS B O     
922  C  CB    . LYS B 11  ? 1.16755 0.33247 0.70438 -0.13214 0.15927  -0.05345 11  LYS B CB    
923  C  CG    . LYS B 11  ? 1.35179 0.48434 0.85724 -0.15435 0.15415  -0.02883 11  LYS B CG    
924  C  CD    . LYS B 11  ? 1.35250 0.44693 0.84413 -0.11796 0.13243  0.00203  11  LYS B CD    
925  C  CE    . LYS B 11  ? 1.38842 0.43765 0.83511 -0.14106 0.12904  0.01888  11  LYS B CE    
926  N  NZ    . LYS B 11  ? 1.40050 0.38818 0.82288 -0.10538 0.10608  0.03723  11  LYS B NZ    
927  N  N     . GLN B 12  ? 1.08460 0.30791 0.68739 -0.01985 0.13589  -0.03198 12  GLN B N     
928  C  CA    . GLN B 12  ? 1.08313 0.30063 0.70449 0.02492  0.12335  -0.01916 12  GLN B CA    
929  C  C     . GLN B 12  ? 1.09980 0.39865 0.76402 0.03837  0.12312  -0.00550 12  GLN B C     
930  O  O     . GLN B 12  ? 0.99516 0.28901 0.66631 0.05238  0.11049  0.01420  12  GLN B O     
931  C  CB    . GLN B 12  ? 1.10071 0.31549 0.73588 0.05571  0.12621  -0.04211 12  GLN B CB    
932  C  CG    . GLN B 12  ? 1.24170 0.36698 0.84039 0.05787  0.12083  -0.05632 12  GLN B CG    
933  C  CD    . GLN B 12  ? 1.28881 0.35556 0.85729 0.04728  0.10139  -0.03574 12  GLN B CD    
934  O  OE1   . GLN B 12  ? 1.39911 0.41541 0.93590 0.02391  0.10169  -0.04262 12  GLN B OE1   
935  N  NE2   . GLN B 12  ? 1.34735 0.41903 0.92572 0.06949  0.08387  -0.01373 12  GLN B NE2   
936  N  N     . PHE B 13  ? 0.93820 0.30836 0.62744 0.03432  0.13575  -0.01656 13  PHE B N     
937  C  CA    . PHE B 13  ? 0.89680 0.33495 0.62346 0.04856  0.13778  -0.00497 13  PHE B CA    
938  C  C     . PHE B 13  ? 0.83462 0.29576 0.56111 0.02437  0.13347  0.01213  13  PHE B C     
939  O  O     . PHE B 13  ? 0.84335 0.34493 0.59828 0.03614  0.13090  0.02568  13  PHE B O     
940  C  CB    . PHE B 13  ? 0.83269 0.32549 0.57408 0.05639  0.15229  -0.02060 13  PHE B CB    
941  C  CG    . PHE B 13  ? 0.82747 0.37382 0.60331 0.07565  0.15884  -0.01061 13  PHE B CG    
942  C  CD1   . PHE B 13  ? 0.78941 0.33718 0.59299 0.10394  0.16017  -0.01057 13  PHE B CD1   
943  C  CD2   . PHE B 13  ? 0.79133 0.38552 0.57302 0.06501  0.16365  -0.00401 13  PHE B CD2   
944  C  CE1   . PHE B 13  ? 0.76079 0.35921 0.59942 0.11588  0.17039  -0.00491 13  PHE B CE1   
945  C  CE2   . PHE B 13  ? 0.69918 0.33342 0.50821 0.07856  0.17234  0.00541  13  PHE B CE2   
946  C  CZ    . PHE B 13  ? 0.70518 0.34268 0.54388 0.10120  0.17766  0.00478  13  PHE B CZ    
947  N  N     . ASP B 14  ? 0.88175 0.31926 0.57881 -0.01069 0.13414  0.00908  14  ASP B N     
948  C  CA    . ASP B 14  ? 0.88004 0.33778 0.57582 -0.03386 0.13099  0.02305  14  ASP B CA    
949  C  C     . ASP B 14  ? 0.85838 0.27619 0.54284 -0.02447 0.11760  0.04711  14  ASP B C     
950  O  O     . ASP B 14  ? 0.87638 0.32520 0.57186 -0.03006 0.11294  0.06071  14  ASP B O     
951  C  CB    . ASP B 14  ? 0.86390 0.30945 0.53315 -0.07712 0.13862  0.00921  14  ASP B CB    
952  C  CG    . ASP B 14  ? 0.86273 0.37560 0.55293 -0.08659 0.14531  -0.01472 14  ASP B CG    
953  O  OD1   . ASP B 14  ? 0.80385 0.37281 0.52160 -0.06626 0.14280  -0.01108 14  ASP B OD1   
954  O  OD2   . ASP B 14  ? 0.94661 0.45399 0.62382 -0.11444 0.15221  -0.03876 14  ASP B OD2   
955  N  N     . MET B 15  ? 0.92457 0.27252 0.58505 -0.00735 0.10860  0.05099  15  MET B N     
956  C  CA    . MET B 15  ? 0.95200 0.26634 0.60407 0.01391  0.08970  0.07132  15  MET B CA    
957  C  C     . MET B 15  ? 0.93690 0.31929 0.64645 0.04694  0.08408  0.07379  15  MET B C     
958  O  O     . MET B 15  ? 0.97505 0.37057 0.69340 0.05379  0.07138  0.08838  15  MET B O     
959  C  CB    . MET B 15  ? 1.03453 0.27580 0.65785 0.03304  0.07509  0.06988  15  MET B CB    
960  C  CG    . MET B 15  ? 1.19485 0.38282 0.76741 -0.00137 0.07649  0.06959  15  MET B CG    
961  S  SD    . MET B 15  ? 1.36227 0.47473 0.90688 0.02784  0.05383  0.07084  15  MET B SD    
962  C  CE    . MET B 15  ? 1.24648 0.34328 0.79984 0.03284  0.06823  0.04352  15  MET B CE    
963  N  N     . ILE B 16  ? 0.85260 0.27775 0.59974 0.06568  0.09502  0.05799  16  ILE B N     
964  C  CA    . ILE B 16  ? 0.81552 0.30381 0.61727 0.09131  0.09603  0.05728  16  ILE B CA    
965  C  C     . ILE B 16  ? 0.73160 0.28044 0.55277 0.07195  0.10358  0.06560  16  ILE B C     
966  O  O     . ILE B 16  ? 0.73435 0.31505 0.58499 0.08110  0.09617  0.07440  16  ILE B O     
967  C  CB    . ILE B 16  ? 0.81184 0.32354 0.63970 0.11214  0.11091  0.03727  16  ILE B CB    
968  C  CG1   . ILE B 16  ? 0.84111 0.31773 0.67850 0.14732  0.09764  0.02759  16  ILE B CG1   
969  C  CG2   . ILE B 16  ? 0.77519 0.36154 0.64943 0.11809  0.12641  0.03510  16  ILE B CG2   
970  C  CD1   . ILE B 16  ? 0.86137 0.35020 0.71531 0.16527  0.11330  0.00393  16  ILE B CD1   
971  N  N     . ILE B 17  ? 0.72363 0.28828 0.52886 0.04640  0.11589  0.06009  17  ILE B N     
972  C  CA    . ILE B 17  ? 0.67024 0.28840 0.49071 0.03143  0.12058  0.06478  17  ILE B CA    
973  C  C     . ILE B 17  ? 0.70592 0.31905 0.51836 0.01643  0.10778  0.07964  17  ILE B C     
974  O  O     . ILE B 17  ? 0.62326 0.27667 0.46307 0.01972  0.10461  0.08749  17  ILE B O     
975  C  CB    . ILE B 17  ? 0.73427 0.36745 0.53673 0.01205  0.13057  0.05042  17  ILE B CB    
976  C  CG1   . ILE B 17  ? 0.64520 0.29420 0.45418 0.03002  0.14334  0.03755  17  ILE B CG1   
977  C  CG2   . ILE B 17  ? 0.70928 0.38720 0.51983 -0.00406 0.12916  0.05312  17  ILE B CG2   
978  C  CD1   . ILE B 17  ? 0.68488 0.34507 0.47163 0.01708  0.14783  0.01967  17  ILE B CD1   
979  N  N     . ASP B 18  ? 0.70613 0.26503 0.47696 -0.00126 0.10156  0.08325  18  ASP B N     
980  C  CA    . ASP B 18  ? 0.71641 0.26353 0.46727 -0.01883 0.09208  0.09711  18  ASP B CA    
981  C  C     . ASP B 18  ? 0.75287 0.29741 0.52001 0.00817  0.07442  0.11099  18  ASP B C     
982  O  O     . ASP B 18  ? 0.75708 0.32347 0.52869 0.00157  0.06675  0.12037  18  ASP B O     
983  C  CB    . ASP B 18  ? 0.79035 0.26665 0.48281 -0.04565 0.09338  0.09847  18  ASP B CB    
984  C  CG    . ASP B 18  ? 0.78416 0.27719 0.46725 -0.08039 0.11043  0.07971  18  ASP B CG    
985  O  OD1   . ASP B 18  ? 0.72240 0.28222 0.44032 -0.08037 0.11632  0.06745  18  ASP B OD1   
986  O  OD2   . ASP B 18  ? 0.88891 0.32586 0.52870 -0.10685 0.11727  0.07513  18  ASP B OD2   
987  N  N     . LYS B 19  ? 0.74534 0.26688 0.52395 0.04016  0.06631  0.10854  19  LYS B N     
988  C  CA    . LYS B 19  ? 0.76594 0.30006 0.57335 0.07047  0.04768  0.11371  19  LYS B CA    
989  C  C     . LYS B 19  ? 0.68964 0.30533 0.55846 0.07555  0.05577  0.10903  19  LYS B C     
990  O  O     . LYS B 19  ? 0.74300 0.38385 0.63200 0.08149  0.04294  0.11476  19  LYS B O     
991  C  CB    . LYS B 19  ? 0.78678 0.28668 0.60076 0.10625  0.03695  0.10474  19  LYS B CB    
992  C  CG    . LYS B 19  ? 0.88553 0.28601 0.63377 0.11243  0.02001  0.11145  19  LYS B CG    
993  C  CD    . LYS B 19  ? 1.08191 0.43420 0.76707 0.08210  0.01108  0.12806  19  LYS B CD    
994  C  CE    . LYS B 19  ? 0.94710 0.31898 0.63069 0.08258  -0.00546 0.14145  19  LYS B CE    
995  N  NZ    . LYS B 19  ? 1.09968 0.42637 0.72220 0.05833  -0.01247 0.15212  19  LYS B NZ    
996  N  N     . LEU B 20  ? 0.62625 0.27870 0.52030 0.07296  0.07703  0.09826  20  LEU B N     
997  C  CA    . LEU B 20  ? 0.58259 0.29910 0.52299 0.07313  0.08841  0.09565  20  LEU B CA    
998  C  C     . LEU B 20  ? 0.57529 0.31440 0.50753 0.04894  0.08701  0.10428  20  LEU B C     
999  O  O     . LEU B 20  ? 0.56611 0.34346 0.53154 0.05112  0.08411  0.10667  20  LEU B O     
1000 C  CB    . LEU B 20  ? 0.60861 0.34473 0.56003 0.07513  0.11206  0.08444  20  LEU B CB    
1001 C  CG    . LEU B 20  ? 0.65339 0.37142 0.61238 0.09755  0.11734  0.07133  20  LEU B CG    
1002 C  CD1   . LEU B 20  ? 0.68928 0.41679 0.63952 0.09425  0.14116  0.06121  20  LEU B CD1   
1003 C  CD2   . LEU B 20  ? 0.57622 0.32586 0.58919 0.12148  0.11396  0.06321  20  LEU B CD2   
1004 N  N     . LYS B 21  ? 0.54826 0.26799 0.44069 0.02525  0.08965  0.10501  21  LYS B N     
1005 C  CA    . LYS B 21  ? 0.51608 0.26257 0.40408 0.00345  0.08808  0.10778  21  LYS B CA    
1006 C  C     . LYS B 21  ? 0.56388 0.30252 0.44574 0.00097  0.07120  0.11858  21  LYS B C     
1007 O  O     . LYS B 21  ? 0.60546 0.38073 0.50531 -0.00555 0.06766  0.12018  21  LYS B O     
1008 C  CB    . LYS B 21  ? 0.55529 0.28978 0.40829 -0.02200 0.09493  0.09915  21  LYS B CB    
1009 C  CG    . LYS B 21  ? 0.60453 0.35033 0.45870 -0.01871 0.10764  0.08561  21  LYS B CG    
1010 C  CD    . LYS B 21  ? 0.52627 0.28603 0.36193 -0.04317 0.11029  0.07107  21  LYS B CD    
1011 C  CE    . LYS B 21  ? 0.56839 0.28532 0.36911 -0.06614 0.11192  0.06607  21  LYS B CE    
1012 N  NZ    . LYS B 21  ? 0.58593 0.32861 0.37885 -0.09262 0.11698  0.04415  21  LYS B NZ    
1013 N  N     . LEU B 22  ? 0.60414 0.29013 0.45531 0.00792  0.05909  0.12560  22  LEU B N     
1014 C  CA    . LEU B 22  ? 0.60889 0.27660 0.43922 0.00741  0.04070  0.13687  22  LEU B CA    
1015 C  C     . LEU B 22  ? 0.63799 0.34787 0.51934 0.03255  0.02770  0.13601  22  LEU B C     
1016 O  O     . LEU B 22  ? 0.65230 0.37948 0.53462 0.02818  0.01611  0.14050  22  LEU B O     
1017 C  CB    . LEU B 22  ? 0.73283 0.31997 0.50670 0.01278  0.02894  0.14555  22  LEU B CB    
1018 C  CG    . LEU B 22  ? 0.81287 0.35500 0.55376 0.03071  0.00228  0.15815  22  LEU B CG    
1019 C  CD1   . LEU B 22  ? 0.83399 0.39022 0.55355 0.00987  -0.00251 0.16619  22  LEU B CD1   
1020 C  CD2   . LEU B 22  ? 0.84799 0.30491 0.52666 0.03203  -0.00490 0.16418  22  LEU B CD2   
1021 N  N     . MET B 23  ? 0.58963 0.32078 0.51606 0.05654  0.03164  0.12683  23  MET B N     
1022 C  CA    . MET B 23  ? 0.57506 0.35740 0.56129 0.07475  0.02564  0.11950  23  MET B CA    
1023 C  C     . MET B 23  ? 0.50101 0.33425 0.51432 0.05597  0.03759  0.11841  23  MET B C     
1024 O  O     . MET B 23  ? 0.55553 0.42187 0.60045 0.06012  0.02724  0.11592  23  MET B O     
1025 C  CB    . MET B 23  ? 0.54319 0.34233 0.57318 0.09758  0.03542  0.10537  23  MET B CB    
1026 C  CG    . MET B 23  ? 0.61735 0.38764 0.64843 0.13004  0.01241  0.09922  23  MET B CG    
1027 S  SD    . MET B 23  ? 0.91152 0.71588 1.00572 0.15779  0.02518  0.07439  23  MET B SD    
1028 C  CE    . MET B 23  ? 0.54232 0.34198 0.61711 0.13454  0.06189  0.07595  23  MET B CE    
1029 N  N     . VAL B 24  ? 0.47543 0.31372 0.47577 0.03751  0.05684  0.11809  24  VAL B N     
1030 C  CA    . VAL B 24  ? 0.42049 0.29713 0.43787 0.02313  0.06421  0.11668  24  VAL B CA    
1031 C  C     . VAL B 24  ? 0.47692 0.35461 0.47025 0.00683  0.05070  0.12112  24  VAL B C     
1032 O  O     . VAL B 24  ? 0.44195 0.35289 0.45964 0.00351  0.04611  0.11897  24  VAL B O     
1033 C  CB    . VAL B 24  ? 0.47709 0.35566 0.48223 0.01436  0.08343  0.11272  24  VAL B CB    
1034 C  CG1   . VAL B 24  ? 0.41531 0.32607 0.43692 0.00655  0.08805  0.11069  24  VAL B CG1   
1035 C  CG2   . VAL B 24  ? 0.42016 0.29215 0.43882 0.02914  0.09893  0.10815  24  VAL B CG2   
1036 N  N     . TYR B 25  ? 0.50633 0.34628 0.45007 -0.00590 0.04649  0.12569  25  TYR B N     
1037 C  CA    . TYR B 25  ? 0.51771 0.35718 0.43286 -0.02526 0.03818  0.12830  25  TYR B CA    
1038 C  C     . TYR B 25  ? 0.55210 0.39744 0.47771 -0.01210 0.01816  0.13339  25  TYR B C     
1039 O  O     . TYR B 25  ? 0.57656 0.45408 0.51347 -0.02027 0.01293  0.13014  25  TYR B O     
1040 C  CB    . TYR B 25  ? 0.55774 0.34597 0.41232 -0.04467 0.04096  0.13248  25  TYR B CB    
1041 C  CG    . TYR B 25  ? 0.64541 0.42062 0.48385 -0.05913 0.05800  0.12398  25  TYR B CG    
1042 C  CD1   . TYR B 25  ? 0.50619 0.32276 0.37234 -0.06142 0.06899  0.11093  25  TYR B CD1   
1043 C  CD2   . TYR B 25  ? 0.74933 0.46550 0.53857 -0.07101 0.06146  0.12771  25  TYR B CD2   
1044 C  CE1   . TYR B 25  ? 0.52625 0.33325 0.37651 -0.07249 0.08095  0.09942  25  TYR B CE1   
1045 C  CE2   . TYR B 25  ? 0.71093 0.41673 0.48775 -0.08588 0.07634  0.11612  25  TYR B CE2   
1046 C  CZ    . TYR B 25  ? 0.60133 0.35668 0.41089 -0.08586 0.08514  0.10071  25  TYR B CZ    
1047 O  OH    . TYR B 25  ? 0.59837 0.34591 0.39527 -0.09854 0.09669  0.08561  25  TYR B OH    
1048 N  N     . GLU B 26  ? 0.55753 0.37282 0.47975 0.01104  0.00428  0.13838  26  GLU B N     
1049 C  CA    . GLU B 26  ? 0.56553 0.38997 0.50193 0.03032  -0.01962 0.13873  26  GLU B CA    
1050 C  C     . GLU B 26  ? 0.54327 0.43278 0.55086 0.03746  -0.01780 0.12649  26  GLU B C     
1051 O  O     . GLU B 26  ? 0.49099 0.40533 0.51188 0.03939  -0.03280 0.12299  26  GLU B O     
1052 C  CB    . GLU B 26  ? 0.58423 0.36876 0.51138 0.06077  -0.03760 0.14059  26  GLU B CB    
1053 C  CG    . GLU B 26  ? 0.76448 0.47206 0.60866 0.05981  -0.05351 0.15548  26  GLU B CG    
1054 C  CD    . GLU B 26  ? 0.84441 0.49278 0.66243 0.07841  -0.05744 0.15839  26  GLU B CD    
1055 O  OE1   . GLU B 26  ? 0.84131 0.51652 0.71197 0.09591  -0.05001 0.14631  26  GLU B OE1   
1056 O  OE2   . GLU B 26  ? 0.87239 0.44323 0.61363 0.07550  -0.06757 0.17208  26  GLU B OE2   
1057 N  N     . TYR B 27  ? 0.43106 0.34470 0.48074 0.03988  0.00166  0.11927  27  TYR B N     
1058 C  CA    . TYR B 27  ? 0.42282 0.38825 0.53409 0.04149  0.00856  0.10813  27  TYR B CA    
1059 C  C     . TYR B 27  ? 0.46991 0.45719 0.57791 0.02061  0.01317  0.10810  27  TYR B C     
1060 O  O     . TYR B 27  ? 0.37793 0.39927 0.52258 0.02075  0.00715  0.10013  27  TYR B O     
1061 C  CB    . TYR B 27  ? 0.39051 0.36574 0.53379 0.04558  0.03259  0.10204  27  TYR B CB    
1062 C  CG    . TYR B 27  ? 0.37463 0.39166 0.57107 0.04009  0.04642  0.09205  27  TYR B CG    
1063 C  CD1   . TYR B 27  ? 0.30497 0.35812 0.55655 0.05043  0.03719  0.07781  27  TYR B CD1   
1064 C  CD2   . TYR B 27  ? 0.34992 0.36656 0.53875 0.02484  0.06787  0.09507  27  TYR B CD2   
1065 C  CE1   . TYR B 27  ? 0.31283 0.39985 0.61250 0.04001  0.05337  0.06703  27  TYR B CE1   
1066 C  CE2   . TYR B 27  ? 0.33631 0.37692 0.56343 0.01763  0.08223  0.08795  27  TYR B CE2   
1067 C  CZ    . TYR B 27  ? 0.28183 0.35714 0.56521 0.02240  0.07710  0.07408  27  TYR B CZ    
1068 O  OH    . TYR B 27  ? 0.30626 0.40133 0.62740 0.01005  0.09492  0.06539  27  TYR B OH    
1069 N  N     . ASN B 28  ? 0.39798 0.36863 0.46557 0.00346  0.02254  0.11306  28  ASN B N     
1070 C  CA    . ASN B 28  ? 0.42010 0.41414 0.48564 -0.01264 0.02397  0.10831  28  ASN B CA    
1071 C  C     . ASN B 28  ? 0.45656 0.45923 0.50806 -0.01844 0.00574  0.10735  28  ASN B C     
1072 O  O     . ASN B 28  ? 0.39930 0.43288 0.47014 -0.02442 0.00238  0.09908  28  ASN B O     
1073 C  CB    . ASN B 28  ? 0.38732 0.36927 0.41836 -0.02702 0.03585  0.10705  28  ASN B CB    
1074 C  CG    . ASN B 28  ? 0.35169 0.33578 0.39683 -0.02157 0.05188  0.10434  28  ASN B CG    
1075 O  OD1   . ASN B 28  ? 0.32024 0.31920 0.39778 -0.01505 0.05690  0.10265  28  ASN B OD1   
1076 N  ND2   . ASN B 28  ? 0.38183 0.34723 0.39821 -0.02547 0.06063  0.10312  28  ASN B ND2   
1077 N  N     . THR B 29  ? 0.43360 0.40410 0.44604 -0.01595 -0.00656 0.11550  29  THR B N     
1078 C  CA    . THR B 29  ? 0.48842 0.46171 0.48035 -0.01831 -0.02505 0.11559  29  THR B CA    
1079 C  C     . THR B 29  ? 0.50748 0.51307 0.54980 0.00136  -0.04186 0.10745  29  THR B C     
1080 O  O     . THR B 29  ? 0.53299 0.56186 0.57868 -0.00192 -0.05431 0.10076  29  THR B O     
1081 C  CB    . THR B 29  ? 0.63359 0.55030 0.55844 -0.01880 -0.03489 0.12864  29  THR B CB    
1082 O  OG1   . THR B 29  ? 0.76998 0.66254 0.70406 0.00949  -0.04871 0.13311  29  THR B OG1   
1083 C  CG2   . THR B 29  ? 0.53706 0.42239 0.41641 -0.04289 -0.01531 0.13291  29  THR B CG2   
1084 N  N     . LYS B 30  ? 0.47651 0.48735 0.56026 0.02124  -0.04233 0.10420  30  LYS B N     
1085 C  CA    . LYS B 30  ? 0.45743 0.50521 0.59500 0.03816  -0.05845 0.09046  30  LYS B CA    
1086 C  C     . LYS B 30  ? 0.41303 0.50528 0.60150 0.02558  -0.04609 0.07824  30  LYS B C     
1087 O  O     . LYS B 30  ? 0.52610 0.65169 0.75047 0.03017  -0.06011 0.06470  30  LYS B O     
1088 C  CB    . LYS B 30  ? 0.48238 0.53028 0.65553 0.06201  -0.06111 0.08424  30  LYS B CB    
1089 C  CG    . LYS B 30  ? 0.56446 0.66127 0.80813 0.07969  -0.07546 0.06207  30  LYS B CG    
1090 C  CD    . LYS B 30  ? 0.47105 0.57812 0.75959 0.09921  -0.06980 0.05013  30  LYS B CD    
1091 C  CE    . LYS B 30  ? 0.60061 0.65388 0.83399 0.11932  -0.08568 0.06217  30  LYS B CE    
1092 N  NZ    . LYS B 30  ? 0.66150 0.69922 0.90079 0.12050  -0.06191 0.06396  30  LYS B NZ    
1093 N  N     . ILE B 31  ? 0.73055 0.56738 0.34810 0.12621  -0.17997 -0.02710 31  ILE B N     
1094 C  CA    . ILE B 31  ? 0.67811 0.54620 0.35701 0.13371  -0.17692 -0.06868 31  ILE B CA    
1095 C  C     . ILE B 31  ? 0.68075 0.58083 0.32701 0.12580  -0.14029 -0.08831 31  ILE B C     
1096 O  O     . ILE B 31  ? 0.74524 0.66820 0.45735 0.12673  -0.12657 -0.11286 31  ILE B O     
1097 C  CB    . ILE B 31  ? 0.66107 0.53008 0.44515 0.13125  -0.16734 -0.06750 31  ILE B CB    
1098 C  CG1   . ILE B 31  ? 0.54962 0.41908 0.33674 0.11296  -0.12440 -0.04314 31  ILE B CG1   
1099 C  CG2   . ILE B 31  ? 0.58699 0.43169 0.41706 0.14021  -0.20073 -0.05683 31  ILE B CG2   
1100 C  CD1   . ILE B 31  ? 0.53371 0.41426 0.40490 0.10827  -0.10755 -0.04979 31  ILE B CD1   
1101 N  N     . LYS B 32  ? 0.75463 0.65705 0.30328 0.11772  -0.12458 -0.07826 32  LYS B N     
1102 C  CA    . LYS B 32  ? 0.77955 0.71750 0.30571 0.10877  -0.08347 -0.09922 32  LYS B CA    
1103 C  C     . LYS B 32  ? 0.75089 0.71972 0.31066 0.12393  -0.09424 -0.15414 32  LYS B C     
1104 O  O     . LYS B 32  ? 0.78269 0.78002 0.39384 0.12154  -0.06807 -0.17780 32  LYS B O     
1105 C  CB    . LYS B 32  ? 0.95634 0.89458 0.36775 0.09578  -0.06183 -0.08099 32  LYS B CB    
1106 C  CG    . LYS B 32  ? 0.96700 0.87334 0.33823 0.07753  -0.04779 -0.02491 32  LYS B CG    
1107 C  CD    . LYS B 32  ? 1.03419 0.94662 0.30535 0.05787  -0.02720 -0.00429 32  LYS B CD    
1108 C  CE    . LYS B 32  ? 1.06083 0.94027 0.27947 0.05788  -0.06724 0.03047  32  LYS B CE    
1109 N  NZ    . LYS B 32  ? 1.16487 1.06897 0.30340 0.04668  -0.06653 0.02668  32  LYS B NZ    
1110 N  N     . GLU B 33  ? 0.85262 0.81511 0.39060 0.14033  -0.13626 -0.17667 33  GLU B N     
1111 C  CA    . GLU B 33  ? 0.80757 0.79857 0.38324 0.15208  -0.14586 -0.22919 33  GLU B CA    
1112 C  C     . GLU B 33  ? 0.71322 0.70691 0.40755 0.16276  -0.16174 -0.25157 33  GLU B C     
1113 O  O     . GLU B 33  ? 0.75864 0.77491 0.50977 0.16923  -0.16482 -0.28735 33  GLU B O     
1114 C  CB    . GLU B 33  ? 0.91991 0.90407 0.45123 0.15950  -0.18152 -0.23980 33  GLU B CB    
1115 C  CG    . GLU B 33  ? 1.13862 1.13370 0.56281 0.14411  -0.15770 -0.23558 33  GLU B CG    
1116 C  CD    . GLU B 33  ? 1.15135 1.12104 0.49058 0.12740  -0.14702 -0.18106 33  GLU B CD    
1117 O  OE1   . GLU B 33  ? 1.17344 1.11404 0.47815 0.13142  -0.18517 -0.15574 33  GLU B OE1   
1118 O  OE2   . GLU B 33  ? 1.12971 1.10837 0.44756 0.10972  -0.10136 -0.16228 33  GLU B OE2   
1119 N  N     . TYR B 34  ? 0.76481 0.73688 0.51742 0.15639  -0.16222 -0.21633 34  TYR B N     
1120 C  CA    . TYR B 34  ? 0.60515 0.58037 0.46896 0.15780  -0.16410 -0.22507 34  TYR B CA    
1121 C  C     . TYR B 34  ? 0.60484 0.60022 0.50044 0.14798  -0.12640 -0.22742 34  TYR B C     
1122 O  O     . TYR B 34  ? 0.62300 0.62302 0.60363 0.14987  -0.12967 -0.23934 34  TYR B O     
1123 C  CB    . TYR B 34  ? 0.60112 0.55022 0.50897 0.15271  -0.17233 -0.18914 34  TYR B CB    
1124 C  CG    . TYR B 34  ? 0.67728 0.61026 0.59563 0.16584  -0.21722 -0.19597 34  TYR B CG    
1125 C  CD1   . TYR B 34  ? 0.67364 0.58746 0.51626 0.16875  -0.23583 -0.17670 34  TYR B CD1   
1126 C  CD2   . TYR B 34  ? 0.62801 0.56402 0.63541 0.17516  -0.24420 -0.22160 34  TYR B CD2   
1127 C  CE1   . TYR B 34  ? 0.71366 0.61255 0.57078 0.18260  -0.28357 -0.18417 34  TYR B CE1   
1128 C  CE2   . TYR B 34  ? 0.66153 0.58584 0.68906 0.18760  -0.28818 -0.23156 34  TYR B CE2   
1129 C  CZ    . TYR B 34  ? 0.70542 0.61180 0.65798 0.19238  -0.30953 -0.21388 34  TYR B CZ    
1130 O  OH    . TYR B 34  ? 0.76513 0.65813 0.74435 0.20506  -0.35366 -0.22205 34  TYR B OH    
1131 N  N     . GLY B 35  ? 0.55015 0.55654 0.38372 0.13686  -0.09269 -0.21490 35  GLY B N     
1132 C  CA    . GLY B 35  ? 0.52283 0.55409 0.38890 0.13000  -0.06098 -0.22564 35  GLY B CA    
1133 C  C     . GLY B 35  ? 0.45339 0.47393 0.37368 0.11795  -0.04680 -0.19359 35  GLY B C     
1134 O  O     . GLY B 35  ? 0.47549 0.51412 0.43550 0.11368  -0.02857 -0.20177 35  GLY B O     
1135 N  N     . VAL B 36  ? 0.43267 0.42540 0.35716 0.11297  -0.05616 -0.16014 36  VAL B N     
1136 C  CA    . VAL B 36  ? 0.39880 0.38090 0.36729 0.10145  -0.04394 -0.13274 36  VAL B CA    
1137 C  C     . VAL B 36  ? 0.45099 0.41710 0.36915 0.08877  -0.02718 -0.09814 36  VAL B C     
1138 O  O     . VAL B 36  ? 0.52063 0.47646 0.37880 0.08975  -0.03164 -0.08940 36  VAL B O     
1139 C  CB    . VAL B 36  ? 0.34505 0.31122 0.37845 0.10523  -0.06543 -0.12863 36  VAL B CB    
1140 C  CG1   . VAL B 36  ? 0.33434 0.31254 0.43027 0.11488  -0.08143 -0.15904 36  VAL B CG1   
1141 C  CG2   . VAL B 36  ? 0.36884 0.31726 0.38536 0.11224  -0.08799 -0.12378 36  VAL B CG2   
1142 N  N     . TYR B 37  ? 0.36852 0.33040 0.31144 0.07656  -0.01044 -0.07818 37  TYR B N     
1143 C  CA    . TYR B 37  ? 0.35944 0.31061 0.26586 0.06275  0.00937  -0.05132 37  TYR B CA    
1144 C  C     . TYR B 37  ? 0.34327 0.27466 0.28116 0.05665  0.00803  -0.03175 37  TYR B C     
1145 O  O     . TYR B 37  ? 0.34003 0.27671 0.31749 0.05204  0.01236  -0.03212 37  TYR B O     
1146 C  CB    . TYR B 37  ? 0.40937 0.38312 0.31391 0.05234  0.03535  -0.05519 37  TYR B CB    
1147 C  CG    . TYR B 37  ? 0.40337 0.36807 0.27780 0.03616  0.05662  -0.03015 37  TYR B CG    
1148 C  CD1   . TYR B 37  ? 0.48843 0.44059 0.30345 0.03157  0.06232  -0.01436 37  TYR B CD1   
1149 C  CD2   . TYR B 37  ? 0.40022 0.36726 0.30588 0.02474  0.06843  -0.02187 37  TYR B CD2   
1150 C  CE1   . TYR B 37  ? 0.47409 0.41479 0.27020 0.01509  0.08119  0.01023  37  TYR B CE1   
1151 C  CE2   . TYR B 37  ? 0.36642 0.32512 0.25415 0.00954  0.08592  -0.00274 37  TYR B CE2   
1152 C  CZ    . TYR B 37  ? 0.42831 0.37329 0.26561 0.00431  0.09329  0.01370  37  TYR B CZ    
1153 O  OH    . TYR B 37  ? 0.55939 0.49294 0.38730 -0.01247 0.11012  0.03448  37  TYR B OH    
1154 N  N     . LEU B 38  ? 0.36229 0.27078 0.28211 0.05666  0.00129  -0.01550 38  LEU B N     
1155 C  CA    . LEU B 38  ? 0.35105 0.24352 0.29513 0.04917  0.00725  -0.00053 38  LEU B CA    
1156 C  C     . LEU B 38  ? 0.34212 0.23045 0.26110 0.03485  0.02814  0.01460  38  LEU B C     
1157 O  O     . LEU B 38  ? 0.39711 0.27352 0.27747 0.03184  0.03013  0.02760  38  LEU B O     
1158 C  CB    . LEU B 38  ? 0.33538 0.20670 0.28808 0.05749  -0.01131 0.00478  38  LEU B CB    
1159 C  CG    . LEU B 38  ? 0.40812 0.26602 0.39251 0.05121  -0.00266 0.01303  38  LEU B CG    
1160 C  CD1   . LEU B 38  ? 0.31452 0.18646 0.33575 0.04455  0.01050  0.00587  38  LEU B CD1   
1161 C  CD2   . LEU B 38  ? 0.41909 0.26077 0.42957 0.06243  -0.02380 0.01212  38  LEU B CD2   
1162 N  N     . LYS B 39  ? 0.36221 0.25891 0.30283 0.02511  0.04150  0.01413  39  LYS B N     
1163 C  CA    . LYS B 39  ? 0.36713 0.26434 0.29421 0.01115  0.05901  0.02311  39  LYS B CA    
1164 C  C     . LYS B 39  ? 0.33144 0.20208 0.25391 0.00586  0.06055  0.03718  39  LYS B C     
1165 O  O     . LYS B 39  ? 0.38223 0.24346 0.32885 0.00739  0.05723  0.03424  39  LYS B O     
1166 C  CB    . LYS B 39  ? 0.32516 0.23714 0.27789 0.00380  0.06503  0.01674  39  LYS B CB    
1167 C  CG    . LYS B 39  ? 0.33378 0.25161 0.28286 -0.01012 0.07956  0.02062  39  LYS B CG    
1168 C  CD    . LYS B 39  ? 0.30262 0.23697 0.27756 -0.01485 0.07738  0.01248  39  LYS B CD    
1169 C  CE    . LYS B 39  ? 0.33881 0.28445 0.32117 -0.02773 0.08920  0.01172  39  LYS B CE    
1170 N  NZ    . LYS B 39  ? 0.27448 0.23457 0.28490 -0.03126 0.07976  0.00354  39  LYS B NZ    
1171 N  N     . PRO B 40  ? 0.35374 0.21123 0.24902 -0.00076 0.06619  0.05209  40  PRO B N     
1172 C  CA    . PRO B 40  ? 0.37296 0.19987 0.27334 -0.00405 0.06261  0.06553  40  PRO B CA    
1173 C  C     . PRO B 40  ? 0.39616 0.22074 0.32661 -0.01355 0.07245  0.05832  40  PRO B C     
1174 O  O     . PRO B 40  ? 0.40478 0.20982 0.35650 -0.01128 0.06760  0.05665  40  PRO B O     
1175 C  CB    . PRO B 40  ? 0.42096 0.23511 0.28444 -0.01355 0.06913  0.08727  40  PRO B CB    
1176 C  CG    . PRO B 40  ? 0.51966 0.35726 0.34896 -0.01021 0.07294  0.08271  40  PRO B CG    
1177 C  CD    . PRO B 40  ? 0.44013 0.30832 0.29845 -0.00442 0.07480  0.05763  40  PRO B CD    
1178 N  N     . TYR B 41  ? 0.36583 0.21091 0.30095 -0.02336 0.08431  0.05080  41  TYR B N     
1179 C  CA    . TYR B 41  ? 0.37435 0.21463 0.32723 -0.03560 0.09187  0.04576  41  TYR B CA    
1180 C  C     . TYR B 41  ? 0.38261 0.24971 0.34261 -0.04017 0.09447  0.03361  41  TYR B C     
1181 O  O     . TYR B 41  ? 0.35689 0.24236 0.31669 -0.04471 0.09998  0.03440  41  TYR B O     
1182 C  CB    . TYR B 41  ? 0.39576 0.22092 0.34615 -0.04809 0.09978  0.06037  41  TYR B CB    
1183 C  CG    . TYR B 41  ? 0.42948 0.25023 0.40519 -0.06171 0.10531  0.05190  41  TYR B CG    
1184 C  CD1   . TYR B 41  ? 0.46985 0.27418 0.46436 -0.06010 0.10030  0.03864  41  TYR B CD1   
1185 C  CD2   . TYR B 41  ? 0.46059 0.29476 0.44644 -0.07651 0.11596  0.05373  41  TYR B CD2   
1186 C  CE1   . TYR B 41  ? 0.46837 0.26831 0.48500 -0.07202 0.10276  0.02562  41  TYR B CE1   
1187 C  CE2   . TYR B 41  ? 0.55149 0.38090 0.56633 -0.08907 0.11688  0.04322  41  TYR B CE2   
1188 C  CZ    . TYR B 41  ? 0.53991 0.35126 0.56694 -0.08631 0.10869  0.02838  41  TYR B CZ    
1189 O  OH    . TYR B 41  ? 0.60308 0.41018 0.65773 -0.09804 0.10703  0.01229  41  TYR B OH    
1190 N  N     . HIS B 42  ? 0.36369 0.23350 0.33032 -0.03904 0.09027  0.02282  42  HIS B N     
1191 C  CA    . HIS B 42  ? 0.36376 0.25305 0.33325 -0.04232 0.08542  0.01579  42  HIS B CA    
1192 C  C     . HIS B 42  ? 0.37352 0.25878 0.34354 -0.05351 0.08512  0.00615  42  HIS B C     
1193 O  O     . HIS B 42  ? 0.38372 0.25556 0.34846 -0.05440 0.08885  -0.00084 42  HIS B O     
1194 C  CB    . HIS B 42  ? 0.30618 0.19983 0.27387 -0.03371 0.07857  0.01571  42  HIS B CB    
1195 C  CG    . HIS B 42  ? 0.33184 0.24039 0.30331 -0.03569 0.06806  0.01490  42  HIS B CG    
1196 N  ND1   . HIS B 42  ? 0.36386 0.28989 0.35135 -0.03468 0.06234  0.01251  42  HIS B ND1   
1197 C  CD2   . HIS B 42  ? 0.34221 0.24976 0.30520 -0.03889 0.06104  0.01741  42  HIS B CD2   
1198 C  CE1   . HIS B 42  ? 0.39350 0.32660 0.38886 -0.03503 0.04736  0.01317  42  HIS B CE1   
1199 N  NE2   . HIS B 42  ? 0.34609 0.26604 0.32119 -0.03847 0.04558  0.01926  42  HIS B NE2   
1200 N  N     . ILE B 43  ? 0.36238 0.26128 0.34266 -0.06155 0.08000  0.00174  43  ILE B N     
1201 C  CA    . ILE B 43  ? 0.36822 0.26487 0.34835 -0.07196 0.07375  -0.01094 43  ILE B CA    
1202 C  C     . ILE B 43  ? 0.41533 0.32518 0.38492 -0.07187 0.05627  -0.01278 43  ILE B C     
1203 O  O     . ILE B 43  ? 0.38320 0.30914 0.36952 -0.06752 0.04739  -0.00773 43  ILE B O     
1204 C  CB    . ILE B 43  ? 0.41357 0.31311 0.42219 -0.08318 0.07621  -0.01574 43  ILE B CB    
1205 C  CG1   . ILE B 43  ? 0.46087 0.34419 0.47861 -0.08500 0.09184  -0.00470 43  ILE B CG1   
1206 C  CG2   . ILE B 43  ? 0.35747 0.25010 0.36726 -0.09280 0.06720  -0.03422 43  ILE B CG2   
1207 C  CD1   . ILE B 43  ? 0.52054 0.41956 0.55709 -0.09070 0.10178  0.00501  43  ILE B CD1   
1208 N  N     . VAL B 44  ? 0.35940 0.26173 0.30088 -0.07676 0.05061  -0.02058 44  VAL B N     
1209 C  CA    . VAL B 44  ? 0.38539 0.29400 0.30564 -0.07975 0.02945  -0.01890 44  VAL B CA    
1210 C  C     . VAL B 44  ? 0.45037 0.35606 0.35678 -0.09035 0.01911  -0.03783 44  VAL B C     
1211 O  O     . VAL B 44  ? 0.45917 0.35409 0.35791 -0.09437 0.03307  -0.05312 44  VAL B O     
1212 C  CB    . VAL B 44  ? 0.45376 0.35522 0.33841 -0.07736 0.03361  -0.00675 44  VAL B CB    
1213 C  CG1   . VAL B 44  ? 0.51488 0.41471 0.35927 -0.08459 0.01266  -0.00114 44  VAL B CG1   
1214 C  CG2   . VAL B 44  ? 0.40908 0.31467 0.31753 -0.06655 0.03626  0.00852  44  VAL B CG2   
1215 N  N     . TYR B 45  ? 0.47250 0.38768 0.38255 -0.09381 -0.00843 -0.04003 45  TYR B N     
1216 C  CA    . TYR B 45  ? 0.44732 0.36310 0.35790 -0.10322 -0.02465 -0.06192 45  TYR B CA    
1217 C  C     . TYR B 45  ? 0.50377 0.41427 0.35336 -0.10767 -0.04855 -0.06294 45  TYR B C     
1218 O  O     . TYR B 45  ? 0.52563 0.43683 0.35671 -0.10417 -0.06671 -0.04199 45  TYR B O     
1219 C  CB    . TYR B 45  ? 0.54035 0.47385 0.51288 -0.10496 -0.04138 -0.06763 45  TYR B CB    
1220 C  CG    . TYR B 45  ? 0.47543 0.41587 0.50119 -0.10479 -0.01547 -0.06489 45  TYR B CG    
1221 C  CD1   . TYR B 45  ? 0.44939 0.39503 0.48293 -0.09566 0.00141  -0.04722 45  TYR B CD1   
1222 C  CD2   . TYR B 45  ? 0.45008 0.39035 0.51537 -0.11513 -0.00840 -0.07946 45  TYR B CD2   
1223 C  CE1   . TYR B 45  ? 0.38872 0.33991 0.45567 -0.09699 0.02500  -0.04306 45  TYR B CE1   
1224 C  CE2   . TYR B 45  ? 0.47181 0.41555 0.57650 -0.11816 0.01690  -0.07088 45  TYR B CE2   
1225 C  CZ    . TYR B 45  ? 0.44052 0.38999 0.53953 -0.10910 0.03384  -0.05208 45  TYR B CZ    
1226 O  OH    . TYR B 45  ? 0.40900 0.36133 0.53279 -0.11336 0.05902  -0.04197 45  TYR B OH    
1227 N  N     . LYS B 46  ? 0.53601 0.43959 0.35306 -0.11583 -0.04961 -0.08740 46  LYS B N     
1228 C  CA    . LYS B 46  ? 0.60679 0.50663 0.35778 -0.12249 -0.07662 -0.09309 46  LYS B CA    
1229 C  C     . LYS B 46  ? 0.68084 0.57887 0.42701 -0.13036 -0.08238 -0.13205 46  LYS B C     
1230 O  O     . LYS B 46  ? 0.63801 0.52962 0.38487 -0.13176 -0.05278 -0.15180 46  LYS B O     
1231 C  CB    . LYS B 46  ? 0.66675 0.55735 0.34434 -0.12476 -0.05798 -0.07734 46  LYS B CB    
1232 C  CG    . LYS B 46  ? 0.73250 0.61710 0.33411 -0.13172 -0.08904 -0.06338 46  LYS B CG    
1233 C  CD    . LYS B 46  ? 0.84833 0.73447 0.48222 -0.12529 -0.12730 -0.03526 46  LYS B CD    
1234 C  CE    . LYS B 46  ? 0.91778 0.79088 0.47380 -0.13195 -0.16256 -0.01205 46  LYS B CE    
1235 N  NZ    . LYS B 46  ? 0.89339 0.76810 0.49291 -0.12480 -0.21435 0.00259  46  LYS B NZ    
1236 N  N     . ASN B 47  ? 0.68048 0.58379 0.42922 -0.13452 -0.12327 -0.14554 47  ASN B N     
1237 C  CA    . ASN B 47  ? 0.79618 0.69641 0.51481 -0.14283 -0.13987 -0.18479 47  ASN B CA    
1238 C  C     . ASN B 47  ? 0.80553 0.70301 0.58531 -0.14531 -0.11614 -0.21624 47  ASN B C     
1239 O  O     . ASN B 47  ? 0.92341 0.81314 0.67193 -0.14907 -0.10199 -0.24754 47  ASN B O     
1240 C  CB    . ASN B 47  ? 0.88902 0.78071 0.49870 -0.14815 -0.13315 -0.18974 47  ASN B CB    
1241 C  CG    . ASN B 47  ? 1.02577 0.91404 0.56702 -0.14952 -0.16612 -0.15748 47  ASN B CG    
1242 O  OD1   . ASN B 47  ? 1.08143 0.97364 0.65504 -0.14618 -0.20877 -0.14499 47  ASN B OD1   
1243 N  ND2   . ASN B 47  ? 1.09994 0.98045 0.55095 -0.15518 -0.14662 -0.14303 47  ASN B ND2   
1244 N  N     . SER B 48  ? 0.75302 0.65623 0.62130 -0.14363 -0.10968 -0.20686 48  SER B N     
1245 C  CA    . SER B 48  ? 0.69774 0.59398 0.63545 -0.14719 -0.08710 -0.22281 48  SER B CA    
1246 C  C     . SER B 48  ? 0.70072 0.58221 0.62692 -0.14218 -0.04630 -0.21700 48  SER B C     
1247 O  O     . SER B 48  ? 0.76085 0.62969 0.73707 -0.14470 -0.03056 -0.23046 48  SER B O     
1248 C  CB    . SER B 48  ? 0.76136 0.65352 0.71998 -0.15628 -0.10796 -0.26761 48  SER B CB    
1249 O  OG    . SER B 48  ? 0.85004 0.75722 0.84543 -0.16107 -0.14747 -0.27476 48  SER B OG    
1250 N  N     . LYS B 49  ? 0.63893 0.52044 0.50886 -0.13544 -0.03088 -0.19640 49  LYS B N     
1251 C  CA    . LYS B 49  ? 0.57031 0.44190 0.44411 -0.12880 0.00475  -0.18654 49  LYS B CA    
1252 C  C     . LYS B 49  ? 0.51471 0.39055 0.41727 -0.12168 0.01410  -0.14795 49  LYS B C     
1253 O  O     . LYS B 49  ? 0.53512 0.42335 0.43025 -0.11992 -0.00199 -0.12773 49  LYS B O     
1254 C  CB    . LYS B 49  ? 0.60653 0.47848 0.40822 -0.12750 0.01986  -0.19203 49  LYS B CB    
1255 C  CG    . LYS B 49  ? 0.73233 0.60052 0.50636 -0.13279 0.02534  -0.23731 49  LYS B CG    
1256 C  CD    . LYS B 49  ? 0.79359 0.66683 0.50159 -0.13305 0.05166  -0.24063 49  LYS B CD    
1257 C  CE    . LYS B 49  ? 0.84937 0.72631 0.53060 -0.13507 0.05908  -0.28610 49  LYS B CE    
1258 N  NZ    . LYS B 49  ? 0.78467 0.67304 0.43894 -0.13037 0.09425  -0.28530 49  LYS B NZ    
1259 N  N     . ARG B 50  ? 0.54170 0.40630 0.47806 -0.11677 0.03759  -0.13972 50  ARG B N     
1260 C  CA    . ARG B 50  ? 0.49928 0.36666 0.45187 -0.10904 0.04849  -0.10724 50  ARG B CA    
1261 C  C     . ARG B 50  ? 0.50648 0.36560 0.44011 -0.10018 0.06912  -0.10163 50  ARG B C     
1262 O  O     . ARG B 50  ? 0.56793 0.41168 0.52487 -0.09774 0.08213  -0.11215 50  ARG B O     
1263 C  CB    . ARG B 50  ? 0.50054 0.36170 0.50888 -0.11232 0.05425  -0.09797 50  ARG B CB    
1264 C  CG    . ARG B 50  ? 0.58565 0.46312 0.62651 -0.12093 0.03917  -0.09786 50  ARG B CG    
1265 C  CD    . ARG B 50  ? 0.62079 0.49581 0.70855 -0.12591 0.05421  -0.08036 50  ARG B CD    
1266 N  NE    . ARG B 50  ? 0.66747 0.56034 0.80183 -0.13751 0.04507  -0.08631 50  ARG B NE    
1267 C  CZ    . ARG B 50  ? 0.62778 0.51237 0.81230 -0.15131 0.04959  -0.09214 50  ARG B CZ    
1268 N  NH1   . ARG B 50  ? 0.70420 0.55886 0.89798 -0.15450 0.06035  -0.09108 50  ARG B NH1   
1269 N  NH2   . ARG B 50  ? 0.65261 0.55895 0.88769 -0.16246 0.04198  -0.09928 50  ARG B NH2   
1270 N  N     . TYR B 51  ? 0.42587 0.29443 0.32653 -0.09543 0.07010  -0.08526 51  TYR B N     
1271 C  CA    . TYR B 51  ? 0.41562 0.28049 0.31004 -0.08758 0.08911  -0.07817 51  TYR B CA    
1272 C  C     . TYR B 51  ? 0.45572 0.31766 0.38211 -0.07809 0.09221  -0.05596 51  TYR B C     
1273 O  O     . TYR B 51  ? 0.40340 0.27479 0.33527 -0.07659 0.08214  -0.03952 51  TYR B O     
1274 C  CB    . TYR B 51  ? 0.45878 0.33329 0.30759 -0.08948 0.08919  -0.06832 51  TYR B CB    
1275 C  CG    . TYR B 51  ? 0.51182 0.38864 0.31110 -0.10007 0.08802  -0.08836 51  TYR B CG    
1276 C  CD1   . TYR B 51  ? 0.51661 0.39302 0.29938 -0.10264 0.11232  -0.11099 51  TYR B CD1   
1277 C  CD2   . TYR B 51  ? 0.51455 0.39544 0.28438 -0.10721 0.06165  -0.08777 51  TYR B CD2   
1278 C  CE1   . TYR B 51  ? 0.57750 0.45823 0.30484 -0.11330 0.11412  -0.13314 51  TYR B CE1   
1279 C  CE2   . TYR B 51  ? 0.57671 0.45854 0.28938 -0.11716 0.05694  -0.10678 51  TYR B CE2   
1280 C  CZ    . TYR B 51  ? 0.61019 0.49224 0.29662 -0.12077 0.08511  -0.12987 51  TYR B CZ    
1281 O  OH    . TYR B 51  ? 0.68238 0.56764 0.30216 -0.13158 0.08355  -0.15232 51  TYR B OH    
1282 N  N     . ILE B 52  ? 0.42676 0.27654 0.37453 -0.07097 0.10462  -0.05792 52  ILE B N     
1283 C  CA    . ILE B 52  ? 0.37557 0.21657 0.34865 -0.06285 0.10381  -0.03958 52  ILE B CA    
1284 C  C     . ILE B 52  ? 0.43932 0.28081 0.41620 -0.05169 0.10964  -0.03362 52  ILE B C     
1285 O  O     . ILE B 52  ? 0.40667 0.24661 0.39050 -0.05001 0.12050  -0.04933 52  ILE B O     
1286 C  CB    . ILE B 52  ? 0.39139 0.21043 0.39523 -0.06486 0.10442  -0.04436 52  ILE B CB    
1287 C  CG1   . ILE B 52  ? 0.37917 0.19973 0.39110 -0.07697 0.09825  -0.04329 52  ILE B CG1   
1288 C  CG2   . ILE B 52  ? 0.43529 0.23847 0.45557 -0.05497 0.10278  -0.02478 52  ILE B CG2   
1289 C  CD1   . ILE B 52  ? 0.46468 0.26211 0.51050 -0.08344 0.09817  -0.05403 52  ILE B CD1   
1290 N  N     . TYR B 53  ? 0.33601 0.18253 0.31280 -0.04439 0.10314  -0.01488 53  TYR B N     
1291 C  CA    . TYR B 53  ? 0.37697 0.22574 0.36366 -0.03377 0.10383  -0.01031 53  TYR B CA    
1292 C  C     . TYR B 53  ? 0.45528 0.29515 0.45050 -0.02408 0.09362  0.00375  53  TYR B C     
1293 O  O     . TYR B 53  ? 0.38675 0.23443 0.36820 -0.02434 0.08817  0.01431  53  TYR B O     
1294 C  CB    . TYR B 53  ? 0.38232 0.24784 0.35455 -0.03529 0.10253  -0.00453 53  TYR B CB    
1295 C  CG    . TYR B 53  ? 0.36479 0.23599 0.31265 -0.04720 0.11005  -0.01310 53  TYR B CG    
1296 C  CD1   . TYR B 53  ? 0.37093 0.24414 0.31750 -0.05065 0.12694  -0.02413 53  TYR B CD1   
1297 C  CD2   . TYR B 53  ? 0.39080 0.26659 0.31659 -0.05559 0.10032  -0.01222 53  TYR B CD2   
1298 C  CE1   . TYR B 53  ? 0.44939 0.32783 0.35972 -0.06318 0.13556  -0.03237 53  TYR B CE1   
1299 C  CE2   . TYR B 53  ? 0.42428 0.30292 0.31790 -0.06637 0.10212  -0.02009 53  TYR B CE2   
1300 C  CZ    . TYR B 53  ? 0.41019 0.28950 0.28935 -0.07065 0.12052  -0.02931 53  TYR B CZ    
1301 O  OH    . TYR B 53  ? 0.47273 0.35535 0.30624 -0.08290 0.12382  -0.03704 53  TYR B OH    
1302 N  N     . ILE B 54  ? 0.40891 0.23298 0.42656 -0.01554 0.09032  0.00233  54  ILE B N     
1303 C  CA    . ILE B 54  ? 0.40787 0.21669 0.42440 -0.00723 0.07642  0.01799  54  ILE B CA    
1304 C  C     . ILE B 54  ? 0.45344 0.26934 0.47939 0.00593  0.06533  0.01856  54  ILE B C     
1305 O  O     . ILE B 54  ? 0.38380 0.20116 0.44309 0.01185  0.06629  0.00660  54  ILE B O     
1306 C  CB    . ILE B 54  ? 0.37412 0.15465 0.41414 -0.00527 0.07109  0.01889  54  ILE B CB    
1307 C  CG1   . ILE B 54  ? 0.46332 0.23452 0.50038 -0.01935 0.07943  0.01820  54  ILE B CG1   
1308 C  CG2   . ILE B 54  ? 0.42248 0.18321 0.45406 0.00416  0.05135  0.04001  54  ILE B CG2   
1309 C  CD1   . ILE B 54  ? 0.52002 0.26329 0.59459 -0.01814 0.07534  0.01096  54  ILE B CD1   
1310 N  N     . GLY B 55  ? 0.39402 0.21630 0.39570 0.01011  0.05578  0.02888  55  GLY B N     
1311 C  CA    . GLY B 55  ? 0.36615 0.19307 0.37765 0.02358  0.03975  0.02664  55  GLY B CA    
1312 C  C     . GLY B 55  ? 0.39809 0.24203 0.44044 0.02456  0.04497  0.01395  55  GLY B C     
1313 O  O     . GLY B 55  ? 0.35569 0.19916 0.43326 0.03369  0.03581  0.00678  55  GLY B O     
1314 N  N     . LYS B 56  ? 0.33929 0.19711 0.37252 0.01406  0.05867  0.01257  56  LYS B N     
1315 C  CA    . LYS B 56  ? 0.38024 0.24976 0.43556 0.00993  0.06720  0.00721  56  LYS B CA    
1316 C  C     . LYS B 56  ? 0.30377 0.18570 0.35931 0.01106  0.05889  0.01058  56  LYS B C     
1317 O  O     . LYS B 56  ? 0.32443 0.21168 0.40984 0.01217  0.05737  0.00895  56  LYS B O     
1318 C  CB    . LYS B 56  ? 0.44627 0.31735 0.48782 -0.00426 0.08647  0.00461  56  LYS B CB    
1319 C  CG    . LYS B 56  ? 0.42868 0.30916 0.48479 -0.01182 0.10096  0.00187  56  LYS B CG    
1320 C  CD    . LYS B 56  ? 0.49596 0.37553 0.58207 -0.01156 0.11678  -0.01323 56  LYS B CD    
1321 C  CE    . LYS B 56  ? 0.47686 0.36867 0.56065 -0.02571 0.14194  -0.01661 56  LYS B CE    
1322 N  NZ    . LYS B 56  ? 0.43581 0.32728 0.48284 -0.03726 0.15874  -0.02693 56  LYS B NZ    
1323 N  N     . TYR B 57  ? 0.28923 0.17648 0.32083 0.01040  0.05396  0.01376  57  TYR B N     
1324 C  CA    . TYR B 57  ? 0.23165 0.13066 0.27115 0.01068  0.04633  0.01408  57  TYR B CA    
1325 C  C     . TYR B 57  ? 0.29227 0.19858 0.33191 0.02288  0.03293  0.00542  57  TYR B C     
1326 O  O     . TYR B 57  ? 0.30618 0.21329 0.31883 0.02407  0.03559  0.00474  57  TYR B O     
1327 C  CB    . TYR B 57  ? 0.24484 0.14885 0.26667 -0.00005 0.05104  0.01920  57  TYR B CB    
1328 C  CG    . TYR B 57  ? 0.26705 0.16457 0.27736 -0.01251 0.06275  0.02475  57  TYR B CG    
1329 C  CD1   . TYR B 57  ? 0.37257 0.26793 0.39564 -0.01689 0.06753  0.03015  57  TYR B CD1   
1330 C  CD2   . TYR B 57  ? 0.31925 0.21362 0.30620 -0.02113 0.07083  0.02266  57  TYR B CD2   
1331 C  CE1   . TYR B 57  ? 0.30015 0.19246 0.30315 -0.02991 0.08294  0.03318  57  TYR B CE1   
1332 C  CE2   . TYR B 57  ? 0.33515 0.22534 0.30523 -0.03219 0.08175  0.02186  57  TYR B CE2   
1333 C  CZ    . TYR B 57  ? 0.33335 0.22352 0.30672 -0.03662 0.08925  0.02699  57  TYR B CZ    
1334 O  OH    . TYR B 57  ? 0.43166 0.32058 0.37905 -0.04918 0.10456  0.02440  57  TYR B OH    
1335 N  N     . TRP B 58  ? 0.24788 0.24238 0.30131 -0.03084 0.05926  -0.02093 58  TRP B N     
1336 C  CA    . TRP B 58  ? 0.24051 0.22990 0.29505 -0.02727 0.04215  -0.01475 58  TRP B CA    
1337 C  C     . TRP B 58  ? 0.29099 0.26682 0.32780 -0.03795 0.03587  -0.01118 58  TRP B C     
1338 O  O     . TRP B 58  ? 0.25916 0.23770 0.29252 -0.05204 0.03683  -0.00846 58  TRP B O     
1339 C  CB    . TRP B 58  ? 0.24936 0.26309 0.33186 -0.02852 0.03063  -0.01345 58  TRP B CB    
1340 C  CG    . TRP B 58  ? 0.26927 0.30480 0.38081 -0.01435 0.03156  -0.01580 58  TRP B CG    
1341 C  CD1   . TRP B 58  ? 0.27445 0.33742 0.41328 -0.01271 0.04821  -0.01917 58  TRP B CD1   
1342 C  CD2   . TRP B 58  ? 0.23630 0.27152 0.35348 0.00321  0.01434  -0.01457 58  TRP B CD2   
1343 N  NE1   . TRP B 58  ? 0.27385 0.35549 0.44494 0.00633  0.04142  -0.02054 58  TRP B NE1   
1344 C  CE2   . TRP B 58  ? 0.27825 0.34130 0.43430 0.01556  0.01793  -0.01623 58  TRP B CE2   
1345 C  CE3   . TRP B 58  ? 0.28414 0.30009 0.37361 0.01177  -0.00315 -0.01200 58  TRP B CE3   
1346 C  CZ2   . TRP B 58  ? 0.24827 0.31842 0.41945 0.03562  -0.00098 -0.01304 58  TRP B CZ2   
1347 C  CZ3   . TRP B 58  ? 0.30964 0.33094 0.40307 0.03006  -0.02011 -0.00874 58  TRP B CZ3   
1348 C  CH2   . TRP B 58  ? 0.26590 0.31305 0.40142 0.04152  -0.02167 -0.00812 58  TRP B CH2   
1349 N  N     . TYR B 59  ? 0.27485 0.23838 0.30049 -0.02923 0.03003  -0.00950 59  TYR B N     
1350 C  CA    . TYR B 59  ? 0.33295 0.28972 0.35092 -0.03234 0.02397  -0.00830 59  TYR B CA    
1351 C  C     . TYR B 59  ? 0.29656 0.25048 0.30674 -0.01891 0.01347  -0.01239 59  TYR B C     
1352 O  O     . TYR B 59  ? 0.31669 0.27160 0.31797 -0.00698 0.01202  -0.01232 59  TYR B O     
1353 C  CB    . TYR B 59  ? 0.27481 0.22559 0.28710 -0.03454 0.03290  -0.00462 59  TYR B CB    
1354 C  CG    . TYR B 59  ? 0.27757 0.22616 0.28937 -0.04836 0.03695  -0.00581 59  TYR B CG    
1355 C  CD1   . TYR B 59  ? 0.25294 0.19399 0.26194 -0.04821 0.04593  -0.01065 59  TYR B CD1   
1356 C  CD2   . TYR B 59  ? 0.26132 0.21212 0.27194 -0.05921 0.02916  -0.00361 59  TYR B CD2   
1357 C  CE1   . TYR B 59  ? 0.33230 0.26755 0.33176 -0.05893 0.04814  -0.01794 59  TYR B CE1   
1358 C  CE2   . TYR B 59  ? 0.25263 0.20080 0.25187 -0.07126 0.02914  -0.00644 59  TYR B CE2   
1359 C  CZ    . TYR B 59  ? 0.32574 0.26583 0.31662 -0.07130 0.03924  -0.01597 59  TYR B CZ    
1360 O  OH    . TYR B 59  ? 0.32327 0.25692 0.29425 -0.08145 0.03797  -0.02497 59  TYR B OH    
1361 N  N     . LYS B 60  ? 0.30704 0.25453 0.31706 -0.01881 0.00415  -0.01695 60  LYS B N     
1362 C  CA    . LYS B 60  ? 0.29584 0.23706 0.28903 -0.00198 -0.00136 -0.02621 60  LYS B CA    
1363 C  C     . LYS B 60  ? 0.33856 0.28542 0.32841 0.00467  0.01387  -0.02223 60  LYS B C     
1364 O  O     . LYS B 60  ? 0.34337 0.29178 0.35093 -0.00250 0.01346  -0.01915 60  LYS B O     
1365 C  CB    . LYS B 60  ? 0.36201 0.28821 0.36210 -0.00263 -0.02196 -0.03807 60  LYS B CB    
1366 C  CG    . LYS B 60  ? 0.35532 0.27002 0.33352 0.01852  -0.02740 -0.05518 60  LYS B CG    
1367 C  CD    . LYS B 60  ? 0.42265 0.33851 0.37041 0.03144  -0.03434 -0.06470 60  LYS B CD    
1368 C  CE    . LYS B 60  ? 0.44480 0.35958 0.35393 0.05629  -0.02474 -0.07702 60  LYS B CE    
1369 N  NZ    . LYS B 60  ? 0.42563 0.33659 0.29231 0.07016  -0.03811 -0.08854 60  LYS B NZ    
1370 N  N     . LEU B 61  ? 0.35980 0.31321 0.32932 0.01764  0.02681  -0.01936 61  LEU B N     
1371 C  CA    . LEU B 61  ? 0.32145 0.28977 0.29501 0.02359  0.04537  -0.01348 61  LEU B CA    
1372 C  C     . LEU B 61  ? 0.34274 0.31302 0.30268 0.04481  0.04490  -0.02963 61  LEU B C     
1373 O  O     . LEU B 61  ? 0.40922 0.37088 0.33378 0.05951  0.03936  -0.04110 61  LEU B O     
1374 C  CB    . LEU B 61  ? 0.36749 0.34250 0.32645 0.02442  0.06412  0.00337  61  LEU B CB    
1375 C  CG    . LEU B 61  ? 0.37137 0.33622 0.34386 0.00764  0.06433  0.01539  61  LEU B CG    
1376 C  CD1   . LEU B 61  ? 0.34057 0.30340 0.30119 0.00873  0.08087  0.03534  61  LEU B CD1   
1377 C  CD2   . LEU B 61  ? 0.35103 0.31979 0.35594 -0.01009 0.06277  0.01509  61  LEU B CD2   
1378 N  N     . GLU B 62  ? 0.39442 0.37590 0.38186 0.04869  0.04879  -0.03253 62  GLU B N     
1379 C  CA    . GLU B 62  ? 0.38541 0.37045 0.36695 0.07403  0.05230  -0.05083 62  GLU B CA    
1380 C  C     . GLU B 62  ? 0.44740 0.47202 0.45364 0.08150  0.08033  -0.04073 62  GLU B C     
1381 O  O     . GLU B 62  ? 0.33553 0.37816 0.38123 0.06380  0.08361  -0.02379 62  GLU B O     
1382 C  CB    . GLU B 62  ? 0.39111 0.35251 0.39582 0.07644  0.02757  -0.06432 62  GLU B CB    
1383 C  CG    . GLU B 62  ? 0.55247 0.47640 0.54188 0.06871  -0.00023 -0.07541 62  GLU B CG    
1384 C  CD    . GLU B 62  ? 0.63967 0.54624 0.58859 0.08813  -0.00788 -0.10066 62  GLU B CD    
1385 O  OE1   . GLU B 62  ? 0.51107 0.42948 0.43679 0.11377  0.00895  -0.11451 62  GLU B OE1   
1386 O  OE2   . GLU B 62  ? 0.60136 0.48437 0.54234 0.07755  -0.03174 -0.10782 62  GLU B OE2   
1387 N  N     . LYS B 63  ? 0.44241 0.48356 0.42652 0.10766  0.10034  -0.05248 63  LYS B N     
1388 C  CA    . LYS B 63  ? 0.39087 0.47921 0.40862 0.11929  0.13032  -0.04576 63  LYS B CA    
1389 C  C     . LYS B 63  ? 0.43434 0.52291 0.47826 0.14594  0.12237  -0.07070 63  LYS B C     
1390 O  O     . LYS B 63  ? 0.47477 0.54294 0.48079 0.17318  0.11979  -0.09903 63  LYS B O     
1391 C  CB    . LYS B 63  ? 0.49039 0.60468 0.46612 0.13313  0.16556  -0.03927 63  LYS B CB    
1392 C  CG    . LYS B 63  ? 0.62153 0.79122 0.64426 0.12549  0.19820  -0.01666 63  LYS B CG    
1393 C  CD    . LYS B 63  ? 0.56474 0.73997 0.62968 0.09046  0.19595  0.01409  63  LYS B CD    
1394 C  CE    . LYS B 63  ? 0.50142 0.64531 0.51691 0.07419  0.19426  0.03176  63  LYS B CE    
1395 N  NZ    . LYS B 63  ? 0.64798 0.80860 0.69083 0.04628  0.20828  0.06325  63  LYS B NZ    
1396 N  N     . ILE B 64  ? 0.33459 0.44357 0.44270 0.13974  0.11553  -0.06153 64  ILE B N     
1397 C  CA    . ILE B 64  ? 0.35663 0.46636 0.50191 0.16680  0.10509  -0.08033 64  ILE B CA    
1398 C  C     . ILE B 64  ? 0.37258 0.55025 0.58256 0.17657  0.13164  -0.06918 64  ILE B C     
1399 O  O     . ILE B 64  ? 0.45039 0.65575 0.70751 0.15027  0.12727  -0.04445 64  ILE B O     
1400 C  CB    . ILE B 64  ? 0.44271 0.51203 0.60978 0.15201  0.06362  -0.07650 64  ILE B CB    
1401 C  CG1   . ILE B 64  ? 0.44735 0.45920 0.56234 0.13750  0.04055  -0.08349 64  ILE B CG1   
1402 C  CG2   . ILE B 64  ? 0.43789 0.50291 0.64641 0.18269  0.05039  -0.09208 64  ILE B CG2   
1403 C  CD1   . ILE B 64  ? 0.55040 0.53084 0.62149 0.16381  0.03879  -0.11552 64  ILE B CD1   
1404 N  N     . GLY B 65  ? 0.39571 0.59556 0.60901 0.20681  0.15454  -0.08883 65  GLY B N     
1405 C  CA    . GLY B 65  ? 0.46524 0.73067 0.74595 0.21055  0.17496  -0.08294 65  GLY B CA    
1406 C  C     . GLY B 65  ? 0.47133 0.78785 0.76214 0.18085  0.20036  -0.05381 65  GLY B C     
1407 O  O     . GLY B 65  ? 0.47761 0.84753 0.83540 0.17052  0.20355  -0.03888 65  GLY B O     
1408 N  N     . GLY B 66  ? 0.47685 0.77258 0.70328 0.16486  0.21422  -0.04325 66  GLY B N     
1409 C  CA    . GLY B 66  ? 0.49771 0.82203 0.73196 0.13207  0.23247  -0.01114 66  GLY B CA    
1410 C  C     . GLY B 66  ? 0.43622 0.74629 0.69657 0.09879  0.21186  0.01322  66  GLY B C     
1411 O  O     . GLY B 66  ? 0.47249 0.79938 0.75000 0.06863  0.22056  0.03781  66  GLY B O     
1412 N  N     . LYS B 67  ? 0.29605 0.57038 0.56067 0.10149  0.18395  0.00600  67  LYS B N     
1413 C  CA    . LYS B 67  ? 0.29921 0.54917 0.57694 0.06482  0.15566  0.02095  67  LYS B CA    
1414 C  C     . LYS B 67  ? 0.32022 0.50591 0.52818 0.05662  0.13605  0.01384  67  LYS B C     
1415 O  O     . LYS B 67  ? 0.31737 0.47051 0.48788 0.07658  0.12359  -0.00657 67  LYS B O     
1416 C  CB    . LYS B 67  ? 0.33129 0.58913 0.66487 0.06219  0.12294  0.01781  67  LYS B CB    
1417 C  CG    . LYS B 67  ? 0.27075 0.59899 0.68678 0.07330  0.13661  0.02355  67  LYS B CG    
1418 C  CD    . LYS B 67  ? 0.26191 0.61328 0.71244 0.03371  0.13093  0.04468  67  LYS B CD    
1419 C  CE    . LYS B 67  ? 0.39086 0.78404 0.91212 0.03257  0.10831  0.04634  67  LYS B CE    
1420 N  NZ    . LYS B 67  ? 0.38948 0.75563 0.92258 0.02526  0.06274  0.04483  67  LYS B NZ    
1421 N  N     . LEU B 68  ? 0.29402 0.46232 0.49125 0.02722  0.13245  0.02986  68  LEU B N     
1422 C  CA    . LEU B 68  ? 0.26550 0.38232 0.40982 0.01903  0.11539  0.02497  68  LEU B CA    
1423 C  C     . LEU B 68  ? 0.27595 0.36769 0.42682 0.01069  0.08204  0.01563  68  LEU B C     
1424 O  O     . LEU B 68  ? 0.22864 0.33287 0.41660 -0.00523 0.06864  0.02188  68  LEU B O     
1425 C  CB    . LEU B 68  ? 0.24287 0.34895 0.37975 -0.00510 0.12391  0.04406  68  LEU B CB    
1426 C  CG    . LEU B 68  ? 0.31888 0.37975 0.40985 -0.01063 0.11138  0.04136  68  LEU B CG    
1427 C  CD1   . LEU B 68  ? 0.35916 0.40823 0.40005 0.01276  0.11593  0.03279  68  LEU B CD1   
1428 C  CD2   . LEU B 68  ? 0.37182 0.42140 0.46787 -0.03118 0.12023  0.06075  68  LEU B CD2   
1429 N  N     . LYS B 69  ? 0.27851 0.33636 0.39302 0.02010  0.06746  0.00223  69  LYS B N     
1430 C  CA    . LYS B 69  ? 0.26817 0.30070 0.38195 0.01019  0.03987  -0.00109 69  LYS B CA    
1431 C  C     . LYS B 69  ? 0.31779 0.32192 0.39639 -0.00330 0.03485  -0.00095 69  LYS B C     
1432 O  O     . LYS B 69  ? 0.31263 0.30665 0.36342 0.00536  0.04186  -0.00601 69  LYS B O     
1433 C  CB    . LYS B 69  ? 0.27895 0.29629 0.39428 0.03030  0.02512  -0.01423 69  LYS B CB    
1434 C  CG    . LYS B 69  ? 0.27821 0.32459 0.43290 0.05255  0.03098  -0.01872 69  LYS B CG    
1435 C  CD    . LYS B 69  ? 0.24091 0.31772 0.44333 0.03935  0.02292  -0.00377 69  LYS B CD    
1436 C  CE    . LYS B 69  ? 0.35834 0.47780 0.61326 0.06377  0.03278  -0.00713 69  LYS B CE    
1437 N  NZ    . LYS B 69  ? 0.29758 0.44795 0.60792 0.05313  0.01434  0.00638  69  LYS B NZ    
1438 N  N     . TRP B 70  ? 0.25695 0.25171 0.33650 -0.02258 0.02227  0.00416  70  TRP B N     
1439 C  CA    . TRP B 70  ? 0.27276 0.24885 0.32725 -0.03403 0.02126  0.00351  70  TRP B CA    
1440 C  C     . TRP B 70  ? 0.32830 0.28920 0.37463 -0.03861 0.00502  0.00271  70  TRP B C     
1441 O  O     . TRP B 70  ? 0.33166 0.29144 0.38090 -0.04911 -0.00684 0.00922  70  TRP B O     
1442 C  CB    . TRP B 70  ? 0.22994 0.20647 0.28617 -0.05144 0.02392  0.00721  70  TRP B CB    
1443 C  CG    . TRP B 70  ? 0.27186 0.25525 0.33891 -0.05230 0.03946  0.01243  70  TRP B CG    
1444 C  CD1   . TRP B 70  ? 0.21462 0.22155 0.31107 -0.05187 0.04719  0.01986  70  TRP B CD1   
1445 C  CD2   . TRP B 70  ? 0.31476 0.28180 0.36826 -0.05426 0.04984  0.01438  70  TRP B CD2   
1446 N  NE1   . TRP B 70  ? 0.28507 0.28974 0.38462 -0.05739 0.06315  0.02942  70  TRP B NE1   
1447 C  CE2   . TRP B 70  ? 0.26373 0.23934 0.33513 -0.05773 0.06301  0.02633  70  TRP B CE2   
1448 C  CE3   . TRP B 70  ? 0.27516 0.22317 0.30848 -0.05226 0.04965  0.00889  70  TRP B CE3   
1449 C  CZ2   . TRP B 70  ? 0.33837 0.29469 0.40281 -0.06026 0.07313  0.03534  70  TRP B CZ2   
1450 C  CZ3   . TRP B 70  ? 0.27941 0.21121 0.30917 -0.05037 0.05863  0.01409  70  TRP B CZ3   
1451 C  CH2   . TRP B 70  ? 0.31136 0.24271 0.35395 -0.05484 0.06889  0.02836  70  TRP B CH2   
1452 N  N     . ILE B 71  ? 0.28306 0.23254 0.31921 -0.03261 0.00262  -0.00299 71  ILE B N     
1453 C  CA    . ILE B 71  ? 0.30093 0.23589 0.33681 -0.04113 -0.01156 -0.00017 71  ILE B CA    
1454 C  C     . ILE B 71  ? 0.31805 0.25823 0.34581 -0.05378 -0.00403 0.00239  71  ILE B C     
1455 O  O     . ILE B 71  ? 0.27975 0.22377 0.30673 -0.04758 0.00034  -0.00407 71  ILE B O     
1456 C  CB    . ILE B 71  ? 0.27551 0.19417 0.31474 -0.02864 -0.02335 -0.01076 71  ILE B CB    
1457 C  CG1   . ILE B 71  ? 0.33205 0.24627 0.38179 -0.01064 -0.02823 -0.01693 71  ILE B CG1   
1458 C  CG2   . ILE B 71  ? 0.27444 0.17581 0.32126 -0.04383 -0.03858 -0.00428 71  ILE B CG2   
1459 C  CD1   . ILE B 71  ? 0.34959 0.24526 0.39342 0.00811  -0.03669 -0.03644 71  ILE B CD1   
1460 N  N     . TYR B 72  ? 0.27752 0.22052 0.29808 -0.06913 -0.00263 0.01150  72  TYR B N     
1461 C  CA    . TYR B 72  ? 0.30815 0.26238 0.32245 -0.07768 0.01013  0.01156  72  TYR B CA    
1462 C  C     . TYR B 72  ? 0.28846 0.24720 0.32026 -0.08224 0.00654  0.01447  72  TYR B C     
1463 O  O     . TYR B 72  ? 0.31137 0.25885 0.35161 -0.09122 -0.00642 0.02397  72  TYR B O     
1464 C  CB    . TYR B 72  ? 0.27212 0.22929 0.26483 -0.09178 0.01363  0.01935  72  TYR B CB    
1465 C  CG    . TYR B 72  ? 0.34165 0.31444 0.32413 -0.09630 0.03287  0.01510  72  TYR B CG    
1466 C  CD1   . TYR B 72  ? 0.31232 0.28547 0.28664 -0.08813 0.04481  -0.00047 72  TYR B CD1   
1467 C  CD2   . TYR B 72  ? 0.34815 0.33553 0.33341 -0.10819 0.04052  0.02704  72  TYR B CD2   
1468 C  CE1   . TYR B 72  ? 0.28691 0.27404 0.25408 -0.08649 0.06407  -0.00881 72  TYR B CE1   
1469 C  CE2   . TYR B 72  ? 0.33082 0.34131 0.31061 -0.10912 0.06338  0.02203  72  TYR B CE2   
1470 C  CZ    . TYR B 72  ? 0.29492 0.30512 0.26522 -0.09552 0.07520  0.00162  72  TYR B CZ    
1471 O  OH    . TYR B 72  ? 0.31245 0.34584 0.28034 -0.09090 0.09962  -0.00750 72  TYR B OH    
1472 N  N     . LEU B 73  ? 0.24438 0.21864 0.28719 -0.07663 0.01525  0.00737  73  LEU B N     
1473 C  CA    . LEU B 73  ? 0.24656 0.23463 0.31702 -0.08319 0.00994  0.00975  73  LEU B CA    
1474 C  C     . LEU B 73  ? 0.25331 0.27127 0.33631 -0.09427 0.02894  0.01676  73  LEU B C     
1475 O  O     . LEU B 73  ? 0.27760 0.30888 0.38378 -0.11148 0.02776  0.02919  73  LEU B O     
1476 C  CB    . LEU B 73  ? 0.24564 0.23713 0.32651 -0.06681 0.00104  -0.00227 73  LEU B CB    
1477 C  CG    . LEU B 73  ? 0.23385 0.20125 0.29531 -0.05279 -0.01239 -0.01092 73  LEU B CG    
1478 C  CD1   . LEU B 73  ? 0.28462 0.25602 0.34589 -0.03798 -0.02396 -0.02068 73  LEU B CD1   
1479 C  CD2   . LEU B 73  ? 0.29128 0.23717 0.35647 -0.06053 -0.02884 -0.01030 73  LEU B CD2   
1480 N  N     . GLY B 74  ? 0.25015 0.27869 0.32056 -0.08494 0.04766  0.00892  74  GLY B N     
1481 C  CA    . GLY B 74  ? 0.28696 0.34669 0.36514 -0.09007 0.07079  0.01090  74  GLY B CA    
1482 C  C     . GLY B 74  ? 0.26126 0.33424 0.35168 -0.06912 0.08353  -0.00488 74  GLY B C     
1483 O  O     . GLY B 74  ? 0.22421 0.27497 0.30735 -0.05355 0.07487  -0.01378 74  GLY B O     
1484 N  N     . LYS B 75  ? 0.22339 0.33385 0.33451 -0.06804 0.10612  -0.00631 75  LYS B N     
1485 C  CA    . LYS B 75  ? 0.30698 0.43335 0.43893 -0.04404 0.11963  -0.02211 75  LYS B CA    
1486 C  C     . LYS B 75  ? 0.25563 0.41671 0.44888 -0.03537 0.11003  -0.01888 75  LYS B C     
1487 O  O     . LYS B 75  ? 0.32695 0.49536 0.54244 -0.01069 0.11244  -0.02968 75  LYS B O     
1488 C  CB    . LYS B 75  ? 0.25849 0.41042 0.37788 -0.04114 0.15343  -0.03112 75  LYS B CB    
1489 C  CG    . LYS B 75  ? 0.36289 0.48218 0.41565 -0.04927 0.15877  -0.03743 75  LYS B CG    
1490 C  CD    . LYS B 75  ? 0.32786 0.47329 0.35624 -0.04451 0.19304  -0.04965 75  LYS B CD    
1491 C  CE    . LYS B 75  ? 0.50544 0.69514 0.54742 -0.06135 0.20513  -0.02327 75  LYS B CE    
1492 N  NZ    . LYS B 75  ? 0.56603 0.73642 0.59204 -0.08944 0.18427  0.00315  75  LYS B NZ    
1493 N  N     . THR B 76  ? 0.22540 0.40530 0.44890 -0.05466 0.09552  -0.00463 76  THR B N     
1494 C  CA    . THR B 76  ? 0.29832 0.51357 0.58353 -0.04979 0.07924  -0.00292 76  THR B CA    
1495 C  C     . THR B 76  ? 0.22100 0.40022 0.49124 -0.04213 0.04311  -0.00625 76  THR B C     
1496 O  O     . THR B 76  ? 0.23384 0.36958 0.45750 -0.04789 0.03337  -0.00599 76  THR B O     
1497 C  CB    . THR B 76  ? 0.26393 0.52077 0.59803 -0.07835 0.08052  0.01328  76  THR B CB    
1498 O  OG1   . THR B 76  ? 0.42801 0.71519 0.82417 -0.07590 0.05434  0.01253  76  THR B OG1   
1499 C  CG2   . THR B 76  ? 0.33768 0.55540 0.64003 -0.10460 0.06544  0.02538  76  THR B CG2   
1500 N  N     . LYS B 77  ? 0.20627 0.40676 0.51469 -0.02676 0.02358  -0.00952 77  LYS B N     
1501 C  CA    . LYS B 77  ? 0.27732 0.44668 0.56185 -0.01898 -0.01093 -0.01269 77  LYS B CA    
1502 C  C     . LYS B 77  ? 0.18823 0.34763 0.47492 -0.04408 -0.03316 -0.01128 77  LYS B C     
1503 O  O     . LYS B 77  ? 0.18519 0.37921 0.52495 -0.06496 -0.03650 -0.00534 77  LYS B O     
1504 C  CB    . LYS B 77  ? 0.26649 0.46085 0.58641 0.00350  -0.03289 -0.01467 77  LYS B CB    
1505 C  CG    . LYS B 77  ? 0.39470 0.65295 0.79719 -0.00383 -0.03990 -0.01227 77  LYS B CG    
1506 C  CD    . LYS B 77  ? 0.33228 0.60413 0.75812 0.01256  -0.08200 -0.01460 77  LYS B CD    
1507 C  CE    . LYS B 77  ? 0.31498 0.64914 0.82796 -0.00454 -0.10208 -0.01297 77  LYS B CE    
1508 N  NZ    . LYS B 77  ? 0.40928 0.75809 0.93618 0.01625  -0.14053 -0.01468 77  LYS B NZ    
1509 N  N     . PRO B 78  ? 0.19190 0.30425 0.42599 -0.04345 -0.04613 -0.01621 78  PRO B N     
1510 C  CA    . PRO B 78  ? 0.20168 0.29304 0.43365 -0.06604 -0.06026 -0.01633 78  PRO B CA    
1511 C  C     . PRO B 78  ? 0.25221 0.34478 0.50900 -0.07202 -0.09920 -0.02630 78  PRO B C     
1512 O  O     . PRO B 78  ? 0.24031 0.31920 0.51555 -0.09503 -0.11359 -0.02590 78  PRO B O     
1513 C  CB    . PRO B 78  ? 0.20452 0.24948 0.37465 -0.05611 -0.05606 -0.02104 78  PRO B CB    
1514 C  CG    . PRO B 78  ? 0.23639 0.27752 0.37758 -0.03016 -0.05262 -0.02471 78  PRO B CG    
1515 C  CD    . PRO B 78  ? 0.23577 0.31230 0.41293 -0.02387 -0.03924 -0.01911 78  PRO B CD    
1516 N  N     . ILE B 79  ? 0.23665 0.34073 0.49262 -0.05247 -0.12015 -0.03493 79  ILE B N     
1517 C  CA    . ILE B 79  ? 0.26718 0.37740 0.54660 -0.05725 -0.16334 -0.04745 79  ILE B CA    
1518 C  C     . ILE B 79  ? 0.30874 0.47976 0.65972 -0.05685 -0.17026 -0.04033 79  ILE B C     
1519 O  O     . ILE B 79  ? 0.33538 0.52838 0.68942 -0.03512 -0.15165 -0.03289 79  ILE B O     
1520 C  CB    . ILE B 79  ? 0.33000 0.40470 0.54030 -0.03237 -0.18761 -0.06389 79  ILE B CB    
1521 C  CG1   . ILE B 79  ? 0.40222 0.42700 0.55171 -0.02931 -0.17329 -0.07085 79  ILE B CG1   
1522 C  CG2   . ILE B 79  ? 0.34966 0.42604 0.56946 -0.03525 -0.23199 -0.07960 79  ILE B CG2   
1523 C  CD1   . ILE B 79  ? 0.56800 0.55681 0.65718 -0.01306 -0.20038 -0.09406 79  ILE B CD1   
1524 N  N     . GLN B 80  ? 0.28517 0.47226 0.67322 -0.07652 -0.18327 -0.03943 80  GLN B N     
1525 C  CA    . GLN B 80  ? 0.30191 0.55140 0.75897 -0.07915 -0.17729 -0.02919 80  GLN B CA    
1526 C  C     . GLN B 80  ? 0.37958 0.65011 0.84181 -0.05170 -0.20541 -0.03510 80  GLN B C     
1527 O  O     . GLN B 80  ? 0.44801 0.77015 0.96174 -0.03989 -0.19479 -0.02632 80  GLN B O     
1528 C  CB    . GLN B 80  ? 0.38896 0.64956 0.88431 -0.10981 -0.18468 -0.02567 80  GLN B CB    
1529 C  CG    . GLN B 80  ? 0.35919 0.65570 0.89483 -0.12998 -0.14418 -0.00670 80  GLN B CG    
1530 C  CD    . GLN B 80  ? 0.37933 0.73769 0.95731 -0.11194 -0.11889 0.00042  80  GLN B CD    
1531 O  OE1   . GLN B 80  ? 0.37394 0.77814 1.00079 -0.10408 -0.13371 -0.00103 80  GLN B OE1   
1532 N  NE2   . GLN B 80  ? 0.41722 0.77568 0.97553 -0.10251 -0.08118 0.00642  80  GLN B NE2   
1533 N  N     . ASN B 81  ? 0.37735 0.60747 0.78067 -0.03864 -0.23923 -0.04925 81  ASN B N     
1534 C  CA    . ASN B 81  ? 0.41178 0.65561 0.80685 -0.01570 -0.27122 -0.05227 81  ASN B CA    
1535 C  C     . ASN B 81  ? 0.42951 0.66123 0.78077 0.01944  -0.26745 -0.04555 81  ASN B C     
1536 O  O     . ASN B 81  ? 0.52944 0.77293 0.87305 0.04110  -0.29004 -0.04091 81  ASN B O     
1537 C  CB    . ASN B 81  ? 0.43642 0.64318 0.78300 -0.02095 -0.30919 -0.07101 81  ASN B CB    
1538 C  CG    . ASN B 81  ? 0.53805 0.73675 0.91664 -0.05471 -0.31201 -0.07792 81  ASN B CG    
1539 O  OD1   . ASN B 81  ? 0.52749 0.68525 0.87840 -0.06665 -0.29750 -0.08252 81  ASN B OD1   
1540 N  ND2   . ASN B 81  ? 0.47373 0.71080 0.91247 -0.06941 -0.33174 -0.07700 81  ASN B ND2   
1541 N  N     . MET B 82  ? 0.47439 0.68160 0.79696 0.02555  -0.24051 -0.04242 82  MET B N     
1542 C  CA    . MET B 82  ? 0.46446 0.64037 0.72120 0.05591  -0.22886 -0.03254 82  MET B CA    
1543 C  C     . MET B 82  ? 0.33089 0.54097 0.63838 0.07838  -0.21922 -0.01738 82  MET B C     
1544 O  O     . MET B 82  ? 0.36446 0.62548 0.75608 0.07078  -0.20871 -0.01650 82  MET B O     
1545 C  CB    . MET B 82  ? 0.39383 0.52600 0.59512 0.05151  -0.18619 -0.02969 82  MET B CB    
1546 C  CG    . MET B 82  ? 0.42687 0.57324 0.67023 0.03301  -0.14713 -0.02637 82  MET B CG    
1547 S  SD    . MET B 82  ? 0.45080 0.54777 0.63277 0.01894  -0.11811 -0.02927 82  MET B SD    
1548 C  CE    . MET B 82  ? 0.42142 0.47787 0.52291 0.04526  -0.11802 -0.02385 82  MET B CE    
1549 N  N     . PRO B 83  ? 0.41299 0.59614 0.67271 0.10742  -0.22246 -0.00427 83  PRO B N     
1550 C  CA    . PRO B 83  ? 0.47596 0.67536 0.77901 0.13228  -0.20818 0.00949  83  PRO B CA    
1551 C  C     . PRO B 83  ? 0.38382 0.58431 0.71397 0.12375  -0.15713 0.00649  83  PRO B C     
1552 O  O     . PRO B 83  ? 0.36701 0.53386 0.65184 0.10609  -0.13008 0.00250  83  PRO B O     
1553 C  CB    . PRO B 83  ? 0.53681 0.68483 0.76271 0.15734  -0.21521 0.02767  83  PRO B CB    
1554 C  CG    . PRO B 83  ? 0.48867 0.61864 0.64541 0.15228  -0.24802 0.02309  83  PRO B CG    
1555 C  CD    . PRO B 83  ? 0.50978 0.65355 0.68158 0.12115  -0.24904 -0.00091 83  PRO B CD    
1556 N  N     . ASN B 84  ? 0.32087 0.56396 0.72631 0.13823  -0.14550 0.00671  84  ASN B N     
1557 C  CA    . ASN B 84  ? 0.27218 0.52474 0.70292 0.13138  -0.09798 -0.00093 84  ASN B CA    
1558 C  C     . ASN B 84  ? 0.33977 0.53142 0.71604 0.14745  -0.07350 0.00242  84  ASN B C     
1559 O  O     . ASN B 84  ? 0.32356 0.48584 0.68357 0.17417  -0.08980 0.01439  84  ASN B O     
1560 C  CB    . ASN B 84  ? 0.30833 0.62896 0.83111 0.14385  -0.08812 -0.00451 84  ASN B CB    
1561 C  CG    . ASN B 84  ? 0.32055 0.69804 0.89078 0.11175  -0.09112 -0.00704 84  ASN B CG    
1562 O  OD1   . ASN B 84  ? 0.37793 0.74729 0.93292 0.08055  -0.08753 -0.00983 84  ASN B OD1   
1563 N  ND2   . ASN B 84  ? 0.27343 0.70603 0.90181 0.11853  -0.09834 -0.00430 84  ASN B ND2   
1564 N  N     . PRO B 85  ? 0.32660 0.49603 0.67416 0.12996  -0.03810 -0.00604 85  PRO B N     
1565 C  CA    . PRO B 85  ? 0.28662 0.39559 0.58487 0.13878  -0.01926 -0.00481 85  PRO B CA    
1566 C  C     . PRO B 85  ? 0.36390 0.47123 0.70118 0.17034  -0.00695 -0.01049 85  PRO B C     
1567 O  O     . PRO B 85  ? 0.32710 0.48993 0.73109 0.18291  0.00033  -0.01994 85  PRO B O     
1568 C  CB    . PRO B 85  ? 0.34326 0.44259 0.61212 0.11005  0.00949  -0.01556 85  PRO B CB    
1569 C  CG    . PRO B 85  ? 0.29947 0.45446 0.60795 0.09026  0.01239  -0.02037 85  PRO B CG    
1570 C  CD    . PRO B 85  ? 0.29392 0.49432 0.65724 0.10014  -0.01654 -0.01516 85  PRO B CD    
1571 N  N     . PRO B 86  ? 0.40033 0.44562 0.70351 0.18473  -0.00457 -0.00465 86  PRO B N     
1572 C  CA    . PRO B 86  ? 0.42915 0.46062 0.77031 0.21953  0.00184  -0.01139 86  PRO B CA    
1573 C  C     . PRO B 86  ? 0.45761 0.50525 0.80999 0.21707  0.03855  -0.03994 86  PRO B C     
1574 O  O     . PRO B 86  ? 0.44026 0.49204 0.77129 0.19173  0.06035  -0.05206 86  PRO B O     
1575 C  CB    . PRO B 86  ? 0.43130 0.38066 0.72133 0.22410  -0.00523 0.00479  86  PRO B CB    
1576 C  CG    . PRO B 86  ? 0.43322 0.36159 0.66421 0.18810  0.00185  0.00974  86  PRO B CG    
1577 C  CD    . PRO B 86  ? 0.46122 0.44600 0.69562 0.16983  -0.00754 0.00952  86  PRO B CD    
1578 N  N     . GLN B 87  ? 0.47558 0.53367 0.85382 0.24456  0.04421  -0.04927 87  GLN B N     
1579 C  CA    . GLN B 87  ? 0.53744 0.61240 0.91875 0.24915  0.07786  -0.07657 87  GLN B CA    
1580 C  C     . GLN B 87  ? 0.49073 0.48615 0.81691 0.24808  0.08649  -0.09048 87  GLN B C     
1581 O  O     . GLN B 87  ? 0.54230 0.48609 0.86082 0.27094  0.07564  -0.08887 87  GLN B O     
1582 C  CB    . GLN B 87  ? 0.48316 0.60069 0.91526 0.28307  0.08059  -0.08091 87  GLN B CB    
1583 C  CG    . GLN B 87  ? 0.60213 0.81043 1.09643 0.27811  0.07540  -0.07078 87  GLN B CG    
1584 C  CD    . GLN B 87  ? 0.58648 0.86103 1.10631 0.27392  0.11205  -0.08703 87  GLN B CD    
1585 O  OE1   . GLN B 87  ? 0.65161 0.91962 1.13290 0.25234  0.13813  -0.09940 87  GLN B OE1   
1586 N  NE2   . GLN B 87  ? 0.46478 0.80539 1.04740 0.29495  0.11423  -0.08454 87  GLN B NE2   
1587 N  N     . ILE B 88  ? 0.46378 0.44707 0.75140 0.21962  0.10321  -0.10262 88  ILE B N     
1588 C  CA    . ILE B 88  ? 0.53947 0.45966 0.77817 0.21532  0.11154  -0.12247 88  ILE B CA    
1589 C  C     . ILE B 88  ? 0.53076 0.48445 0.75906 0.21974  0.14068  -0.15109 88  ILE B C     
1590 O  O     . ILE B 88  ? 0.56683 0.58405 0.80642 0.20559  0.15780  -0.14998 88  ILE B O     
1591 C  CB    . ILE B 88  ? 0.58696 0.46514 0.78317 0.18089  0.10590  -0.11502 88  ILE B CB    
1592 C  CG1   . ILE B 88  ? 0.54704 0.39681 0.74590 0.17582  0.08179  -0.08205 88  ILE B CG1   
1593 C  CG2   . ILE B 88  ? 0.68346 0.49903 0.83600 0.17404  0.10719  -0.13556 88  ILE B CG2   
1594 C  CD1   . ILE B 88  ? 0.62512 0.52477 0.84020 0.16510  0.07445  -0.06155 88  ILE B CD1   
1595 N  N     . PRO B 89  ? 0.60130 0.51276 0.80557 0.23958  0.14692  -0.17476 89  PRO B N     
1596 C  CA    . PRO B 89  ? 0.65137 0.58392 0.82582 0.24298  0.17464  -0.20291 89  PRO B CA    
1597 C  C     . PRO B 89  ? 0.71962 0.65615 0.84695 0.20523  0.18138  -0.20652 89  PRO B C     
1598 O  O     . PRO B 89  ? 0.77120 0.66483 0.87551 0.17965  0.16362  -0.19840 89  PRO B O     
1599 C  CB    . PRO B 89  ? 0.75553 0.61387 0.90045 0.26684  0.17065  -0.22677 89  PRO B CB    
1600 C  CG    . PRO B 89  ? 0.85055 0.67360 1.03281 0.28767  0.14806  -0.20745 89  PRO B CG    
1601 C  CD    . PRO B 89  ? 0.70113 0.56155 0.91874 0.27095  0.13179  -0.17333 89  PRO B CD    
1602 N  N     . GLU B 90  ? 1.05052 0.68018 0.73390 -0.15712 0.12406  0.06647  90  GLU B N     
1603 C  CA    . GLU B 90  ? 1.05128 0.63098 0.66407 -0.16980 0.11251  0.05981  90  GLU B CA    
1604 C  C     . GLU B 90  ? 0.98589 0.59398 0.62967 -0.15450 0.12791  0.02735  90  GLU B C     
1605 O  O     . GLU B 90  ? 1.04514 0.62497 0.63477 -0.16955 0.11831  0.02071  90  GLU B O     
1606 C  CB    . GLU B 90  ? 0.93746 0.51670 0.47071 -0.21970 0.09263  0.08199  90  GLU B CB    
1607 C  CG    . GLU B 90  ? 1.09992 0.65466 0.60746 -0.22420 0.06417  0.10419  90  GLU B CG    
1608 C  CD    . GLU B 90  ? 1.17774 0.75730 0.63926 -0.26170 0.03454  0.11352  90  GLU B CD    
1609 O  OE1   . GLU B 90  ? 1.26815 0.89220 0.71348 -0.29400 0.03900  0.11146  90  GLU B OE1   
1610 O  OE2   . GLU B 90  ? 1.28990 0.84850 0.73385 -0.26092 0.00760  0.11988  90  GLU B OE2   
1611 N  N     . SER B 91  ? 0.85985 0.51550 0.58299 -0.12595 0.14798  0.00749  91  SER B N     
1612 C  CA    . SER B 91  ? 0.84735 0.53066 0.59661 -0.11328 0.16256  -0.02371 91  SER B CA    
1613 C  C     . SER B 91  ? 0.81255 0.43261 0.54509 -0.09740 0.15869  -0.03408 91  SER B C     
1614 O  O     . SER B 91  ? 0.82868 0.39931 0.55207 -0.08501 0.14974  -0.02224 91  SER B O     
1615 C  CB    . SER B 91  ? 0.84961 0.58635 0.67810 -0.08258 0.17931  -0.04282 91  SER B CB    
1616 O  OG    . SER B 91  ? 0.91571 0.60705 0.77490 -0.05246 0.18023  -0.05371 91  SER B OG    
1617 N  N     . THR B 92  ? 0.82136 0.45167 0.54939 -0.09933 0.16574  -0.05639 92  THR B N     
1618 C  CA    . THR B 92  ? 0.76571 0.34739 0.47503 -0.08895 0.16091  -0.06511 92  THR B CA    
1619 C  C     . THR B 92  ? 0.73533 0.30557 0.49617 -0.05858 0.16761  -0.07162 92  THR B C     
1620 O  O     . THR B 92  ? 0.72290 0.32067 0.53387 -0.04425 0.17853  -0.08400 92  THR B O     
1621 C  CB    . THR B 92  ? 0.80112 0.40029 0.49502 -0.10323 0.16681  -0.08613 92  THR B CB    
1622 O  OG1   . THR B 92  ? 0.84490 0.46043 0.48700 -0.14033 0.15753  -0.07775 92  THR B OG1   
1623 C  CG2   . THR B 92  ? 0.78354 0.33501 0.45241 -0.09650 0.15821  -0.09126 92  THR B CG2   
1624 N  N     . ILE B 93  ? 0.73489 0.26513 0.47848 -0.04899 0.15790  -0.06309 93  ILE B N     
1625 C  CA    . ILE B 93  ? 0.71753 0.24074 0.49781 -0.03057 0.16037  -0.06632 93  ILE B CA    
1626 C  C     . ILE B 93  ? 0.72513 0.23221 0.48019 -0.02806 0.15540  -0.07241 93  ILE B C     
1627 O  O     . ILE B 93  ? 0.73850 0.22496 0.45261 -0.02524 0.14373  -0.06375 93  ILE B O     
1628 C  CB    . ILE B 93  ? 0.70688 0.21869 0.49827 -0.02320 0.15387  -0.04658 93  ILE B CB    
1629 C  CG1   . ILE B 93  ? 0.69992 0.22973 0.52121 -0.02565 0.15680  -0.03883 93  ILE B CG1   
1630 C  CG2   . ILE B 93  ? 0.69614 0.20541 0.51491 -0.01395 0.15249  -0.04722 93  ILE B CG2   
1631 C  CD1   . ILE B 93  ? 0.69649 0.21089 0.51313 -0.02720 0.14840  -0.01533 93  ILE B CD1   
1632 N  N     . ILE B 94  ? 0.72345 0.23786 0.49894 -0.02729 0.16185  -0.08762 94  ILE B N     
1633 C  CA    . ILE B 94  ? 0.73031 0.23815 0.48678 -0.02779 0.15716  -0.09213 94  ILE B CA    
1634 C  C     . ILE B 94  ? 0.72175 0.23514 0.50907 -0.02365 0.15702  -0.09040 94  ILE B C     
1635 O  O     . ILE B 94  ? 0.72641 0.23789 0.53914 -0.02575 0.16092  -0.09944 94  ILE B O     
1636 C  CB    . ILE B 94  ? 0.76280 0.27143 0.50173 -0.04192 0.16177  -0.10930 94  ILE B CB    
1637 C  CG1   . ILE B 94  ? 0.76324 0.26928 0.46442 -0.05657 0.15789  -0.10826 94  ILE B CG1   
1638 C  CG2   . ILE B 94  ? 0.81270 0.31467 0.53188 -0.04344 0.15423  -0.11073 94  ILE B CG2   
1639 C  CD1   . ILE B 94  ? 0.83446 0.35257 0.52161 -0.07710 0.16453  -0.12589 94  ILE B CD1   
1640 N  N     . LYS B 95  ? 0.75088 0.27436 0.53139 -0.01824 0.14926  -0.07898 95  LYS B N     
1641 C  CA    . LYS B 95  ? 0.75094 0.28882 0.55042 -0.02473 0.14561  -0.07398 95  LYS B CA    
1642 C  C     . LYS B 95  ? 0.76082 0.30714 0.54507 -0.03275 0.14382  -0.08083 95  LYS B C     
1643 O  O     . LYS B 95  ? 0.75572 0.31116 0.51548 -0.02491 0.14012  -0.08182 95  LYS B O     
1644 C  CB    . LYS B 95  ? 0.70843 0.27301 0.51145 -0.01882 0.13931  -0.05719 95  LYS B CB    
1645 C  CG    . LYS B 95  ? 0.77526 0.35442 0.59916 -0.03623 0.13253  -0.04658 95  LYS B CG    
1646 C  CD    . LYS B 95  ? 0.78206 0.40982 0.60506 -0.03519 0.12755  -0.03148 95  LYS B CD    
1647 C  CE    . LYS B 95  ? 0.87149 0.50001 0.71254 -0.05624 0.11878  -0.01643 95  LYS B CE    
1648 N  NZ    . LYS B 95  ? 0.92027 0.60777 0.75978 -0.07660 0.11018  -0.00202 95  LYS B NZ    
1649 N  N     . GLU B 96  ? 0.78836 0.32455 0.58175 -0.04829 0.14295  -0.08525 96  GLU B N     
1650 C  CA    . GLU B 96  ? 0.84835 0.39451 0.62720 -0.06245 0.13880  -0.08624 96  GLU B CA    
1651 C  C     . GLU B 96  ? 0.93963 0.48057 0.72499 -0.08313 0.12894  -0.07703 96  GLU B C     
1652 O  O     . GLU B 96  ? 0.85784 0.35555 0.64543 -0.08826 0.12713  -0.08626 96  GLU B O     
1653 C  CB    . GLU B 96  ? 0.95120 0.47204 0.71318 -0.06844 0.14582  -0.10515 96  GLU B CB    
1654 C  CG    . GLU B 96  ? 0.96392 0.49574 0.70592 -0.08293 0.14052  -0.10408 96  GLU B CG    
1655 C  CD    . GLU B 96  ? 1.06417 0.57446 0.78405 -0.09076 0.14649  -0.12144 96  GLU B CD    
1656 O  OE1   . GLU B 96  ? 1.14521 0.63314 0.86772 -0.09218 0.15669  -0.13803 96  GLU B OE1   
1657 O  OE2   . GLU B 96  ? 1.08300 0.60327 0.78216 -0.09524 0.13973  -0.11901 96  GLU B OE2   
1658 N  N     . ASP B 97  ? 0.94750 0.53378 0.73126 -0.09465 0.11981  -0.05913 97  ASP B N     
1659 C  CA    . ASP B 97  ? 0.91264 0.50083 0.68868 -0.12667 0.10493  -0.04504 97  ASP B CA    
1660 C  C     . ASP B 97  ? 0.94878 0.49744 0.73169 -0.13563 0.09413  -0.03954 97  ASP B C     
1661 O  O     . ASP B 97  ? 1.07787 0.57276 0.84365 -0.15461 0.08022  -0.04125 97  ASP B O     
1662 C  CB    . ASP B 97  ? 1.05347 0.60789 0.80565 -0.14560 0.10191  -0.05359 97  ASP B CB    
1663 C  CG    . ASP B 97  ? 1.01196 0.61986 0.75423 -0.15359 0.10118  -0.04575 97  ASP B CG    
1664 O  OD1   . ASP B 97  ? 1.11349 0.78359 0.85781 -0.16891 0.09144  -0.02487 97  ASP B OD1   
1665 O  OD2   . ASP B 97  ? 1.12275 0.71614 0.85477 -0.14599 0.10897  -0.05999 97  ASP B OD2   
1666 N  N     . ASN B 98  ? 0.96807 0.53678 0.77077 -0.12095 0.09747  -0.03310 98  ASN B N     
1667 C  CA    . ASN B 98  ? 0.97786 0.51532 0.78942 -0.12917 0.08482  -0.02445 98  ASN B CA    
1668 C  C     . ASN B 98  ? 0.92199 0.38460 0.73539 -0.11624 0.08291  -0.04328 98  ASN B C     
1669 O  O     . ASN B 98  ? 1.04981 0.46267 0.85539 -0.12885 0.06219  -0.03943 98  ASN B O     
1670 C  CB    . ASN B 98  ? 1.04971 0.60089 0.84464 -0.17059 0.06096  -0.00099 98  ASN B CB    
1671 C  CG    . ASN B 98  ? 1.06506 0.70451 0.85464 -0.18551 0.06325  0.01334  98  ASN B CG    
1672 O  OD1   . ASN B 98  ? 1.09230 0.74047 0.86076 -0.21067 0.05432  0.01927  98  ASN B OD1   
1673 N  ND2   . ASN B 98  ? 0.90629 0.61365 0.71287 -0.16793 0.07441  0.01813  98  ASN B ND2   
1674 N  N     . GLU B 99  ? 0.97381 0.43014 0.79380 -0.09077 0.10195  -0.06456 99  GLU B N     
1675 C  CA    . GLU B 99  ? 0.82598 0.24770 0.66154 -0.06727 0.10784  -0.08244 99  GLU B CA    
1676 C  C     . GLU B 99  ? 0.78375 0.23880 0.63147 -0.04757 0.12802  -0.08802 99  GLU B C     
1677 O  O     . GLU B 99  ? 0.76025 0.24732 0.59628 -0.04879 0.13548  -0.08363 99  GLU B O     
1678 C  CB    . GLU B 99  ? 0.86222 0.25713 0.68943 -0.06019 0.10288  -0.10405 99  GLU B CB    
1679 C  CG    . GLU B 99  ? 0.99136 0.34656 0.78531 -0.08677 0.08399  -0.09947 99  GLU B CG    
1680 C  CD    . GLU B 99  ? 1.01806 0.35074 0.80140 -0.07555 0.07965  -0.12222 99  GLU B CD    
1681 O  OE1   . GLU B 99  ? 1.06154 0.35751 0.84711 -0.06261 0.05938  -0.13095 99  GLU B OE1   
1682 O  OE2   . GLU B 99  ? 1.13119 0.47966 0.90121 -0.08038 0.09477  -0.13183 99  GLU B OE2   
1683 N  N     . TYR B 100 ? 0.77537 0.23662 0.64643 -0.02882 0.12873  -0.09432 100 TYR B N     
1684 C  CA    . TYR B 100 ? 0.74616 0.23486 0.62167 -0.01785 0.14305  -0.09594 100 TYR B CA    
1685 C  C     . TYR B 100 ? 0.75670 0.25399 0.63635 -0.00735 0.15330  -0.11883 100 TYR B C     
1686 O  O     . TYR B 100 ? 0.82812 0.31517 0.72583 0.00666  0.14847  -0.13149 100 TYR B O     
1687 C  CB    . TYR B 100 ? 0.73092 0.22392 0.62580 -0.01205 0.13869  -0.08047 100 TYR B CB    
1688 C  CG    . TYR B 100 ? 0.74756 0.23847 0.63531 -0.02292 0.13305  -0.05900 100 TYR B CG    
1689 C  CD1   . TYR B 100 ? 0.70367 0.21275 0.56920 -0.02218 0.13977  -0.05144 100 TYR B CD1   
1690 C  CD2   . TYR B 100 ? 0.75526 0.22938 0.65375 -0.03392 0.11705  -0.04658 100 TYR B CD2   
1691 C  CE1   . TYR B 100 ? 0.70848 0.23568 0.56916 -0.02667 0.13355  -0.03442 100 TYR B CE1   
1692 C  CE2   . TYR B 100 ? 0.80946 0.30070 0.70188 -0.04772 0.11159  -0.02646 100 TYR B CE2   
1693 C  CZ    . TYR B 100 ? 0.81787 0.34328 0.69435 -0.04139 0.12157  -0.02187 100 TYR B CZ    
1694 O  OH    . TYR B 100 ? 0.75537 0.31171 0.62646 -0.04997 0.11668  -0.00565 100 TYR B OH    
1695 N  N     . ILE B 101 ? 0.74829 0.26146 0.60687 -0.01370 0.16636  -0.12574 101 ILE B N     
1696 C  CA    . ILE B 101 ? 0.75781 0.28651 0.61523 -0.01026 0.18231  -0.14646 101 ILE B CA    
1697 C  C     . ILE B 101 ? 0.74192 0.29097 0.61092 -0.00634 0.18571  -0.13554 101 ILE B C     
1698 O  O     . ILE B 101 ? 0.73518 0.28266 0.58485 -0.01579 0.18058  -0.11540 101 ILE B O     
1699 C  CB    . ILE B 101 ? 0.76209 0.29847 0.58357 -0.02839 0.18941  -0.15428 101 ILE B CB    
1700 C  CG1   . ILE B 101 ? 0.79604 0.32219 0.60693 -0.03600 0.18092  -0.15555 101 ILE B CG1   
1701 C  CG2   . ILE B 101 ? 0.79977 0.37112 0.62017 -0.03149 0.20365  -0.17515 101 ILE B CG2   
1702 C  CD1   . ILE B 101 ? 0.79930 0.32462 0.61525 -0.03233 0.18469  -0.17833 101 ILE B CD1   
1703 N  N     . VAL B 102 ? 0.74950 0.32195 0.64812 0.00942  0.19101  -0.14786 102 VAL B N     
1704 C  CA    . VAL B 102 ? 0.74073 0.34267 0.65791 0.01281  0.19075  -0.13384 102 VAL B CA    
1705 C  C     . VAL B 102 ? 0.83041 0.49329 0.76125 0.01903  0.20440  -0.15428 102 VAL B C     
1706 O  O     . VAL B 102 ? 0.76624 0.43916 0.70522 0.03384  0.21221  -0.18326 102 VAL B O     
1707 C  CB    . VAL B 102 ? 0.91780 0.49316 0.86791 0.02976  0.17753  -0.12287 102 VAL B CB    
1708 C  CG1   . VAL B 102 ? 0.90697 0.51225 0.87681 0.03095  0.17584  -0.10527 102 VAL B CG1   
1709 C  CG2   . VAL B 102 ? 0.77903 0.30945 0.71503 0.01896  0.16483  -0.10425 102 VAL B CG2   
1710 N  N     . ASP B 103 ? 0.86506 0.57326 0.79382 0.00572  0.20670  -0.13917 103 ASP B N     
1711 C  CA    . ASP B 103 ? 0.92842 0.71774 0.87555 0.00918  0.21920  -0.15443 103 ASP B CA    
1712 C  C     . ASP B 103 ? 1.00998 0.82755 1.00794 0.03844  0.21569  -0.15257 103 ASP B C     
1713 O  O     . ASP B 103 ? 1.00453 0.86792 1.00947 0.02638  0.21428  -0.13232 103 ASP B O     
1714 C  CB    . ASP B 103 ? 0.91547 0.74385 0.82089 -0.03210 0.21980  -0.13596 103 ASP B CB    
1715 C  CG    . ASP B 103 ? 1.00354 0.84846 0.87070 -0.05628 0.22737  -0.15289 103 ASP B CG    
1716 O  OD1   . ASP B 103 ? 1.00979 0.79889 0.83009 -0.07820 0.21712  -0.14156 103 ASP B OD1   
1717 O  OD2   . ASP B 103 ? 1.03211 0.94838 0.91476 -0.05249 0.24244  -0.17830 103 ASP B OD2   
1718 N  N     . GLU B 104 ? 1.02429 0.80792 1.05240 0.07567  0.21029  -0.17284 104 GLU B N     
1719 C  CA    . GLU B 104 ? 0.98224 0.80019 1.05864 0.11696  0.20695  -0.18911 104 GLU B CA    
1720 C  C     . GLU B 104 ? 1.06320 0.89517 1.16407 0.11367  0.19566  -0.15761 104 GLU B C     
1721 O  O     . GLU B 104 ? 1.00392 0.91711 1.13383 0.12323  0.20074  -0.15766 104 GLU B O     
1722 C  CB    . GLU B 104 ? 1.00470 0.92010 1.09562 0.13342  0.22623  -0.22167 104 GLU B CB    
1723 C  CG    . GLU B 104 ? 0.98497 0.92316 1.12098 0.19320  0.22138  -0.25381 104 GLU B CG    
1724 C  CD    . GLU B 104 ? 1.07791 1.13668 1.23255 0.21326  0.24290  -0.28744 104 GLU B CD    
1725 O  OE1   . GLU B 104 ? 1.07866 1.21025 1.21164 0.17190  0.26064  -0.28054 104 GLU B OE1   
1726 O  OE2   . GLU B 104 ? 1.04849 1.13057 1.23588 0.27063  0.23968  -0.32144 104 GLU B OE2   
1727 N  N     . LYS B 105 ? 1.03306 0.79202 1.12085 0.09761  0.18035  -0.12972 105 LYS B N     
1728 C  CA    . LYS B 105 ? 1.03309 0.79189 1.13634 0.08865  0.16830  -0.09727 105 LYS B CA    
1729 C  C     . LYS B 105 ? 1.00573 0.67686 1.09715 0.07975  0.15029  -0.07827 105 LYS B C     
1730 O  O     . LYS B 105 ? 1.00883 0.65448 1.06669 0.04999  0.15034  -0.05527 105 LYS B O     
1731 C  CB    . LYS B 105 ? 1.02972 0.83329 1.10392 0.04976  0.17659  -0.07098 105 LYS B CB    
1732 C  CG    . LYS B 105 ? 1.02240 0.86936 1.11958 0.04350  0.16962  -0.04454 105 LYS B CG    
1733 C  CD    . LYS B 105 ? 1.03460 0.81284 1.12882 0.03357  0.15185  -0.01432 105 LYS B CD    
1734 C  CE    . LYS B 105 ? 0.98762 0.80114 1.08149 0.01024  0.14609  0.01968  105 LYS B CE    
1735 N  NZ    . LYS B 105 ? 0.90171 0.65515 1.00310 0.00587  0.12819  0.04501  105 LYS B NZ    
1736 O  "O5'" . DA  C 1   ? 0.52238 0.46374 0.32723 0.00278  0.17989  0.09808  20  DA  D "O5'" 
1737 C  "C5'" . DA  C 1   ? 0.50645 0.44155 0.35380 -0.01512 0.20572  0.09494  20  DA  D "C5'" 
1738 C  "C4'" . DA  C 1   ? 0.46549 0.44426 0.32914 -0.02304 0.18396  0.07161  20  DA  D "C4'" 
1739 O  "O4'" . DA  C 1   ? 0.49972 0.50310 0.30601 0.00588  0.18004  0.07624  20  DA  D "O4'" 
1740 C  "C3'" . DA  C 1   ? 0.40550 0.40903 0.29708 -0.03850 0.14213  0.04542  20  DA  D "C3'" 
1741 O  "O3'" . DA  C 1   ? 0.38102 0.38098 0.33350 -0.06278 0.14089  0.02884  20  DA  D "O3'" 
1742 C  "C2'" . DA  C 1   ? 0.38781 0.43011 0.26165 -0.03045 0.12571  0.03108  20  DA  D "C2'" 
1743 C  "C1'" . DA  C 1   ? 0.44557 0.49039 0.26264 -0.00035 0.14482  0.04920  20  DA  D "C1'" 
1744 N  N9    . DA  C 1   ? 0.43961 0.50584 0.21390 0.02255  0.12303  0.04504  20  DA  D N9    
1745 C  C8    . DA  C 1   ? 0.47490 0.52615 0.20501 0.04662  0.12779  0.06273  20  DA  D C8    
1746 N  N7    . DA  C 1   ? 0.46640 0.54679 0.18195 0.06093  0.09832  0.04505  20  DA  D N7    
1747 C  C5    . DA  C 1   ? 0.44606 0.56512 0.18492 0.04917  0.08236  0.01829  20  DA  D C5    
1748 C  C6    . DA  C 1   ? 0.40411 0.56047 0.15672 0.05181  0.05450  -0.01183 20  DA  D C6    
1749 N  N6    . DA  C 1   ? 0.41461 0.58305 0.15949 0.06952  0.03737  -0.01979 20  DA  D N6    
1750 N  N1    . DA  C 1   ? 0.37933 0.56104 0.16243 0.03460  0.04786  -0.03500 20  DA  D N1    
1751 C  C2    . DA  C 1   ? 0.40513 0.57056 0.20996 0.01527  0.06224  -0.02824 20  DA  D C2    
1752 N  N3    . DA  C 1   ? 0.45313 0.58306 0.26108 0.00853  0.08416  -0.00381 20  DA  D N3    
1753 C  C4    . DA  C 1   ? 0.41368 0.52147 0.18821 0.02538  0.09537  0.01891  20  DA  D C4    
1754 N  N1    . BRU C 2   ? 0.42206 0.51017 0.31344 -0.04189 0.04144  -0.02146 21  BRU D N1    
1755 C  C2    . BRU C 2   ? 0.38830 0.50420 0.26538 -0.03293 0.03121  -0.03534 21  BRU D C2    
1756 N  N3    . BRU C 2   ? 0.34087 0.46808 0.18708 -0.01518 0.02815  -0.03050 21  BRU D N3    
1757 C  C4    . BRU C 2   ? 0.36010 0.46470 0.18103 -0.00441 0.03771  -0.00693 21  BRU D C4    
1758 C  C5    . BRU C 2   ? 0.34932 0.41808 0.18785 -0.01715 0.05312  0.00975  21  BRU D C5    
1759 C  C6    . BRU C 2   ? 0.39762 0.46406 0.27507 -0.03621 0.05282  -0.00141 21  BRU D C6    
1760 O  O2    . BRU C 2   ? 0.34532 0.47641 0.24203 -0.04055 0.02573  -0.05545 21  BRU D O2    
1761 O  O4    . BRU C 2   ? 0.34791 0.46218 0.13382 0.01732  0.03486  -0.00186 21  BRU D O4    
1762 BR BR    . BRU C 2   ? 0.49022 0.51734 0.30322 -0.00554 0.07535  0.04121  21  BRU D BR    
1763 C  "C1'" . BRU C 2   ? 0.40800 0.49277 0.33277 -0.05578 0.04117  -0.03275 21  BRU D "C1'" 
1764 C  "C2'" . BRU C 2   ? 0.35218 0.41406 0.30030 -0.06267 0.03298  -0.03363 21  BRU D "C2'" 
1765 C  "C3'" . BRU C 2   ? 0.28912 0.35321 0.26790 -0.07078 0.04016  -0.04241 21  BRU D "C3'" 
1766 C  "C4'" . BRU C 2   ? 0.40832 0.48281 0.37805 -0.07025 0.06077  -0.03377 21  BRU D "C4'" 
1767 O  "O3'" . BRU C 2   ? 0.34343 0.41839 0.32862 -0.07095 0.03291  -0.05809 21  BRU D "O3'" 
1768 O  "O4'" . BRU C 2   ? 0.37351 0.45913 0.30502 -0.05781 0.05930  -0.02709 21  BRU D "O4'" 
1769 C  "C5'" . BRU C 2   ? 0.30028 0.35628 0.28578 -0.07499 0.08185  -0.02123 21  BRU D "C5'" 
1770 O  "O5'" . BRU C 2   ? 0.39171 0.42733 0.35801 -0.06907 0.08134  -0.00639 21  BRU D "O5'" 
1771 P  P     . BRU C 2   ? 0.41287 0.41801 0.39371 -0.07313 0.10655  0.00847  21  BRU D P     
1772 O  OP1   . BRU C 2   ? 0.36917 0.37367 0.41282 -0.09065 0.11035  -0.01125 21  BRU D OP1   
1773 O  OP2   . BRU C 2   ? 0.36658 0.35387 0.31826 -0.06310 0.09749  0.02135  21  BRU D OP2   
1774 P  P     . DT  C 3   ? 0.30121 0.36220 0.29445 -0.06523 0.01818  -0.06882 22  DT  D P     
1775 O  OP1   . DT  C 3   ? 0.32572 0.39521 0.33149 -0.06445 0.01964  -0.08323 22  DT  D OP1   
1776 O  OP2   . DT  C 3   ? 0.29729 0.34397 0.30170 -0.06161 0.00990  -0.06708 22  DT  D OP2   
1777 O  "O5'" . DT  C 3   ? 0.28930 0.34582 0.26083 -0.06147 0.01533  -0.06667 22  DT  D "O5'" 
1778 C  "C5'" . DT  C 3   ? 0.31156 0.38274 0.28053 -0.06450 0.02133  -0.07610 22  DT  D "C5'" 
1779 C  "C4'" . DT  C 3   ? 0.28638 0.35704 0.24693 -0.06346 0.02058  -0.07790 22  DT  D "C4'" 
1780 O  "O4'" . DT  C 3   ? 0.24820 0.33349 0.19401 -0.06121 0.01759  -0.06954 22  DT  D "O4'" 
1781 C  "C3'" . DT  C 3   ? 0.26802 0.30916 0.22500 -0.05660 0.01778  -0.07235 22  DT  D "C3'" 
1782 O  "O3'" . DT  C 3   ? 0.24205 0.27152 0.20604 -0.05660 0.02901  -0.08283 22  DT  D "O3'" 
1783 C  "C2'" . DT  C 3   ? 0.25615 0.30156 0.20135 -0.05520 0.01236  -0.06321 22  DT  D "C2'" 
1784 C  "C1'" . DT  C 3   ? 0.33629 0.41516 0.27791 -0.05856 0.01371  -0.06905 22  DT  D "C1'" 
1785 N  N1    . DT  C 3   ? 0.27992 0.36523 0.20138 -0.05160 0.00860  -0.05631 22  DT  D N1    
1786 C  C2    . DT  C 3   ? 0.26514 0.37617 0.17850 -0.04574 0.00547  -0.06527 22  DT  D C2    
1787 O  O2    . DT  C 3   ? 0.32056 0.45217 0.25118 -0.04943 0.00697  -0.08697 22  DT  D O2    
1788 N  N3    . DT  C 3   ? 0.29701 0.40983 0.18429 -0.03391 0.00154  -0.05111 22  DT  D N3    
1789 C  C4    . DT  C 3   ? 0.30122 0.38789 0.17433 -0.03094 0.00440  -0.02860 22  DT  D C4    
1790 O  O4    . DT  C 3   ? 0.31250 0.39638 0.15979 -0.01846 0.00455  -0.01545 22  DT  D O4    
1791 C  C5    . DT  C 3   ? 0.32149 0.38528 0.21509 -0.04179 0.00827  -0.02490 22  DT  D C5    
1792 C  C7    . DT  C 3   ? 0.34944 0.38810 0.24469 -0.04256 0.01333  -0.00935 22  DT  D C7    
1793 C  C6    . DT  C 3   ? 0.27455 0.34122 0.18877 -0.04959 0.00824  -0.03910 22  DT  D C6    
1794 P  P     . DA  C 4   ? 0.30315 0.30112 0.26163 -0.04841 0.03750  -0.07777 23  DA  D P     
1795 O  OP1   . DA  C 4   ? 0.32507 0.30080 0.28958 -0.04517 0.05542  -0.08586 23  DA  D OP1   
1796 O  OP2   . DA  C 4   ? 0.26900 0.24813 0.20970 -0.03461 0.02600  -0.06244 23  DA  D OP2   
1797 O  "O5'" . DA  C 4   ? 0.30394 0.32527 0.27537 -0.05938 0.04177  -0.08748 23  DA  D "O5'" 
1798 C  "C5'" . DA  C 4   ? 0.31204 0.36172 0.30641 -0.07094 0.04899  -0.11008 23  DA  D "C5'" 
1799 C  "C4'" . DA  C 4   ? 0.32567 0.40031 0.33903 -0.07693 0.05162  -0.12633 23  DA  D "C4'" 
1800 O  "O4'" . DA  C 4   ? 0.25371 0.35282 0.24675 -0.07007 0.03304  -0.11762 23  DA  D "O4'" 
1801 C  "C3'" . DA  C 4   ? 0.27548 0.31939 0.30029 -0.07716 0.06945  -0.12384 23  DA  D "C3'" 
1802 O  "O3'" . DA  C 4   ? 0.29435 0.36144 0.36181 -0.09011 0.08420  -0.15440 23  DA  D "O3'" 
1803 C  "C2'" . DA  C 4   ? 0.24571 0.29072 0.24643 -0.06782 0.05369  -0.10549 23  DA  D "C2'" 
1804 C  "C1'" . DA  C 4   ? 0.23524 0.32667 0.22842 -0.06730 0.03386  -0.11297 23  DA  D "C1'" 
1805 N  N9    . DA  C 4   ? 0.23007 0.31714 0.19037 -0.05653 0.01763  -0.08982 23  DA  D N9    
1806 C  C8    . DA  C 4   ? 0.25397 0.31336 0.19442 -0.05125 0.01201  -0.06830 23  DA  D C8    
1807 N  N7    . DA  C 4   ? 0.27780 0.33754 0.19732 -0.04396 0.00103  -0.05343 23  DA  D N7    
1808 C  C5    . DA  C 4   ? 0.25303 0.34278 0.17062 -0.04063 -0.00230 -0.06327 23  DA  D C5    
1809 C  C6    . DA  C 4   ? 0.25017 0.35210 0.14401 -0.02876 -0.01177 -0.05477 23  DA  D C6    
1810 N  N6    . DA  C 4   ? 0.28635 0.36506 0.15682 -0.02195 -0.01600 -0.03208 23  DA  D N6    
1811 N  N1    . DA  C 4   ? 0.25296 0.39273 0.15069 -0.02251 -0.01583 -0.07369 23  DA  D N1    
1812 C  C2    . DA  C 4   ? 0.27680 0.44188 0.20972 -0.03196 -0.00955 -0.10281 23  DA  D C2    
1813 N  N3    . DA  C 4   ? 0.24605 0.39737 0.20671 -0.04669 0.00345  -0.11219 23  DA  D N3    
1814 C  C4    . DA  C 4   ? 0.25847 0.37017 0.20465 -0.04851 0.00605  -0.08888 23  DA  D C4    
1815 N  N1    . BRU C 5   ? 0.27560 0.36770 0.26057 -0.05118 0.02763  -0.09953 24  BRU D N1    
1816 C  C2    . BRU C 5   ? 0.22552 0.33347 0.17997 -0.03859 0.00697  -0.08799 24  BRU D C2    
1817 N  N3    . BRU C 5   ? 0.31243 0.39208 0.23260 -0.02981 -0.00336 -0.06056 24  BRU D N3    
1818 C  C4    . BRU C 5   ? 0.29058 0.33341 0.20616 -0.03083 0.00136  -0.04716 24  BRU D C4    
1819 C  C5    . BRU C 5   ? 0.23324 0.26065 0.17172 -0.03857 0.02012  -0.05725 24  BRU D C5    
1820 C  C6    . BRU C 5   ? 0.30125 0.35052 0.27382 -0.04978 0.03518  -0.08170 24  BRU D C6    
1821 O  O2    . BRU C 5   ? 0.25036 0.40124 0.21212 -0.03396 -0.00099 -0.10702 24  BRU D O2    
1822 O  O4    . BRU C 5   ? 0.27093 0.29321 0.16507 -0.02348 -0.00889 -0.02913 24  BRU D O4    
1823 BR BR    . BRU C 5   ? 0.35612 0.33629 0.27993 -0.02909 0.02438  -0.04186 24  BRU D BR    
1824 C  "C1'" . BRU C 5   ? 0.27516 0.40047 0.30814 -0.06348 0.04134  -0.13527 24  BRU D "C1'" 
1825 C  "C2'" . BRU C 5   ? 0.25792 0.35327 0.32414 -0.07248 0.07216  -0.14022 24  BRU D "C2'" 
1826 C  "C3'" . BRU C 5   ? 0.30430 0.41878 0.42268 -0.08988 0.09122  -0.17570 24  BRU D "C3'" 
1827 C  "C4'" . BRU C 5   ? 0.30854 0.45768 0.41242 -0.08725 0.06767  -0.18466 24  BRU D "C4'" 
1828 O  "O3'" . BRU C 5   ? 0.35754 0.52021 0.52901 -0.09930 0.09666  -0.21528 24  BRU D "O3'" 
1829 O  "O4'" . BRU C 5   ? 0.26378 0.40025 0.31181 -0.07179 0.04494  -0.15092 24  BRU D "O4'" 
1830 C  "C5'" . BRU C 5   ? 0.32498 0.45539 0.44416 -0.09713 0.08324  -0.19189 24  BRU D "C5'" 
1831 O  "O5'" . BRU C 5   ? 0.35750 0.42323 0.45556 -0.09337 0.10195  -0.16162 24  BRU D "O5'" 
1832 P  P     . BRU C 5   ? 0.35135 0.38669 0.44706 -0.09546 0.11547  -0.15888 24  BRU D P     
1833 O  OP1   . BRU C 5   ? 0.31929 0.37184 0.47148 -0.11335 0.13774  -0.19700 24  BRU D OP1   
1834 O  OP2   . BRU C 5   ? 0.41184 0.38413 0.47157 -0.07946 0.12837  -0.12528 24  BRU D OP2   
1835 P  P     . DA  C 6   ? 0.40651 0.54909 0.61806 -0.10774 0.12940  -0.22138 25  DA  D P     
1836 O  OP1   . DA  C 6   ? 0.38703 0.56921 0.66210 -0.11982 0.13854  -0.27251 25  DA  D OP1   
1837 O  OP2   . DA  C 6   ? 0.40229 0.46614 0.59065 -0.10424 0.16004  -0.18532 25  DA  D OP2   
1838 O  "O5'" . DA  C 6   ? 0.36826 0.52953 0.54614 -0.09123 0.10434  -0.20598 25  DA  D "O5'" 
1839 C  "C5'" . DA  C 6   ? 0.38471 0.60935 0.55144 -0.08014 0.06877  -0.22440 25  DA  D "C5'" 
1840 C  "C4'" . DA  C 6   ? 0.24605 0.46742 0.37034 -0.06215 0.05087  -0.19926 25  DA  D "C4'" 
1841 O  "O4'" . DA  C 6   ? 0.27251 0.46117 0.32941 -0.04761 0.03068  -0.15832 25  DA  D "O4'" 
1842 C  "C3'" . DA  C 6   ? 0.28840 0.46561 0.42091 -0.06487 0.07700  -0.18097 25  DA  D "C3'" 
1843 O  "O3'" . DA  C 6   ? 0.33592 0.54912 0.47717 -0.05662 0.06730  -0.19316 25  DA  D "O3'" 
1844 C  "C2'" . DA  C 6   ? 0.33881 0.45572 0.40610 -0.05098 0.06934  -0.13158 25  DA  D "C2'" 
1845 C  "C1'" . DA  C 6   ? 0.28951 0.43513 0.31675 -0.03882 0.03334  -0.12582 25  DA  D "C1'" 
1846 N  N9    . DA  C 6   ? 0.28459 0.38604 0.26407 -0.03046 0.02367  -0.09052 25  DA  D N9    
1847 C  C8    . DA  C 6   ? 0.27752 0.33765 0.25313 -0.03456 0.03685  -0.07751 25  DA  D C8    
1848 N  N7    . DA  C 6   ? 0.24120 0.27466 0.17830 -0.02401 0.02204  -0.05237 25  DA  D N7    
1849 C  C5    . DA  C 6   ? 0.27546 0.32723 0.18943 -0.01438 0.00148  -0.04548 25  DA  D C5    
1850 C  C6    . DA  C 6   ? 0.26566 0.30137 0.14403 -0.00313 -0.01631 -0.02388 25  DA  D C6    
1851 N  N6    . DA  C 6   ? 0.29118 0.29586 0.15755 -0.00095 -0.01940 -0.00998 25  DA  D N6    
1852 N  N1    . DA  C 6   ? 0.25666 0.31042 0.11586 0.00697  -0.02951 -0.02040 25  DA  D N1    
1853 C  C2    . DA  C 6   ? 0.25749 0.34993 0.13118 0.00840  -0.02923 -0.03989 25  DA  D C2    
1854 N  N3    . DA  C 6   ? 0.26375 0.38210 0.17853 -0.00288 -0.01565 -0.06663 25  DA  D N3    
1855 C  C4    . DA  C 6   ? 0.30387 0.39645 0.23803 -0.01561 0.00143  -0.06677 25  DA  D C4    
1856 P  P     . DC  C 7   ? 0.28489 0.47094 0.45294 -0.06067 0.09892  -0.18780 26  DC  D P     
1857 O  OP1   . DC  C 7   ? 0.44762 0.68375 0.61958 -0.04930 0.07915  -0.20382 26  DC  D OP1   
1858 O  OP2   . DC  C 7   ? 0.38881 0.56104 0.62449 -0.08390 0.14326  -0.21194 26  DC  D OP2   
1859 O  "O5'" . DC  C 7   ? 0.38563 0.49518 0.48758 -0.04525 0.10202  -0.13247 26  DC  D "O5'" 
1860 C  "C5'" . DC  C 7   ? 0.35520 0.44863 0.42000 -0.02745 0.09218  -0.10760 26  DC  D "C5'" 
1861 C  "C4'" . DC  C 7   ? 0.32433 0.43387 0.33458 -0.01055 0.04918  -0.09207 26  DC  D "C4'" 
1862 O  "O4'" . DC  C 7   ? 0.31630 0.40844 0.29680 -0.01024 0.03520  -0.07813 26  DC  D "O4'" 
1863 C  "C3'" . DC  C 7   ? 0.26616 0.33925 0.22882 0.00938  0.03999  -0.05855 26  DC  D "C3'" 
1864 O  "O3'" . DC  C 7   ? 0.32016 0.42054 0.30017 0.01363  0.04249  -0.07061 26  DC  D "O3'" 
1865 C  "C2'" . DC  C 7   ? 0.33919 0.41564 0.25499 0.02051  0.00573  -0.04359 26  DC  D "C2'" 
1866 C  "C1'" . DC  C 7   ? 0.28922 0.36764 0.21632 0.00715  0.00811  -0.05185 26  DC  D "C1'" 
1867 N  N1    . DC  C 7   ? 0.25500 0.28364 0.15398 0.01106  0.00763  -0.02646 26  DC  D N1    
1868 C  C2    . DC  C 7   ? 0.31446 0.32415 0.17305 0.02413  -0.01461 -0.00487 26  DC  D C2    
1869 O  O2    . DC  C 7   ? 0.30800 0.33351 0.14776 0.03299  -0.03084 -0.00126 26  DC  D O2    
1870 N  N3    . DC  C 7   ? 0.30612 0.28118 0.15046 0.02791  -0.01651 0.00851  26  DC  D N3    
1871 C  C4    . DC  C 7   ? 0.31398 0.27077 0.17229 0.02348  0.00134  0.00526  26  DC  D C4    
1872 N  N4    . DC  C 7   ? 0.32243 0.25120 0.16486 0.03243  -0.00428 0.01487  26  DC  D N4    
1873 C  C5    . DC  C 7   ? 0.28480 0.25167 0.17736 0.01090  0.02718  -0.01108 26  DC  D C5    
1874 C  C6    . DC  C 7   ? 0.27854 0.28240 0.19522 0.00305  0.02988  -0.02835 26  DC  D C6    
1875 P  P     . DA  C 8   ? 0.18368 0.40189 0.34228 -0.04074 -0.02232 -0.11751 27  DA  D P     
1876 O  OP1   . DA  C 8   ? 0.17859 0.44016 0.38322 -0.03344 -0.02664 -0.14955 27  DA  D OP1   
1877 O  OP2   . DA  C 8   ? 0.20551 0.41249 0.36088 -0.06405 0.00995  -0.09670 27  DA  D OP2   
1878 O  "O5'" . DA  C 8   ? 0.17934 0.37220 0.30845 -0.01986 -0.03953 -0.10800 27  DA  D "O5'" 
1879 C  "C5'" . DA  C 8   ? 0.23084 0.40867 0.34201 0.00509  -0.07356 -0.11350 27  DA  D "C5'" 
1880 C  "C4'" . DA  C 8   ? 0.21677 0.36574 0.30385 0.02005  -0.08102 -0.10203 27  DA  D "C4'" 
1881 O  "O4'" . DA  C 8   ? 0.29772 0.39589 0.33671 0.01134  -0.07385 -0.07253 27  DA  D "O4'" 
1882 C  "C3'" . DA  C 8   ? 0.20912 0.38410 0.32340 0.01396  -0.05996 -0.11028 27  DA  D "C3'" 
1883 O  "O3'" . DA  C 8   ? 0.36146 0.54332 0.49046 0.03630  -0.07610 -0.12612 27  DA  D "O3'" 
1884 C  "C2'" . DA  C 8   ? 0.22898 0.37003 0.30781 -0.00130 -0.04158 -0.08240 27  DA  D "C2'" 
1885 C  "C1'" . DA  C 8   ? 0.27727 0.36926 0.31366 0.00293  -0.05548 -0.06181 27  DA  D "C1'" 
1886 N  N9    . DA  C 8   ? 0.24034 0.31182 0.26052 -0.01859 -0.03613 -0.04023 27  DA  D N9    
1887 C  C8    . DA  C 8   ? 0.22506 0.31218 0.26209 -0.03754 -0.01958 -0.03864 27  DA  D C8    
1888 N  N7    . DA  C 8   ? 0.20208 0.26400 0.22593 -0.05254 -0.00532 -0.01765 27  DA  D N7    
1889 C  C5    . DA  C 8   ? 0.20939 0.23975 0.20654 -0.04381 -0.01294 -0.00644 27  DA  D C5    
1890 C  C6    . DA  C 8   ? 0.26124 0.25878 0.24195 -0.05161 -0.00610 0.01277  27  DA  D C6    
1891 N  N6    . DA  C 8   ? 0.23015 0.22058 0.21998 -0.06881 0.00879  0.02600  27  DA  D N6    
1892 N  N1    . DA  C 8   ? 0.27798 0.25097 0.23909 -0.04066 -0.01525 0.01566  27  DA  D N1    
1893 C  C2    . DA  C 8   ? 0.24995 0.22792 0.20697 -0.02218 -0.03009 0.00227  27  DA  D C2    
1894 N  N3    . DA  C 8   ? 0.23402 0.24144 0.20717 -0.01136 -0.03974 -0.01542 27  DA  D N3    
1895 C  C4    . DA  C 8   ? 0.21924 0.25353 0.21242 -0.02358 -0.03053 -0.01967 27  DA  D C4    
1896 P  P     . DA  C 9   ? 0.36851 0.58764 0.53427 0.03164  -0.05503 -0.14693 28  DA  D P     
1897 O  OP1   . DA  C 9   ? 0.41807 0.66400 0.62719 0.05602  -0.07569 -0.17718 28  DA  D OP1   
1898 O  OP2   . DA  C 9   ? 0.32324 0.56812 0.50259 0.00403  -0.02284 -0.14711 28  DA  D OP2   
1899 O  "O5'" . DA  C 9   ? 0.29440 0.47681 0.42164 0.03122  -0.04897 -0.12823 28  DA  D "O5'" 
1900 C  "C5'" . DA  C 9   ? 0.29412 0.43578 0.39600 0.05154  -0.07196 -0.11873 28  DA  D "C5'" 
1901 C  "C4'" . DA  C 9   ? 0.30551 0.41636 0.37494 0.04351  -0.06013 -0.10207 28  DA  D "C4'" 
1902 O  "O4'" . DA  C 9   ? 0.27221 0.35969 0.31011 0.02419  -0.04936 -0.07547 28  DA  D "O4'" 
1903 C  "C3'" . DA  C 9   ? 0.33394 0.47370 0.41796 0.03261  -0.03821 -0.11685 28  DA  D "C3'" 
1904 O  "O3'" . DA  C 9   ? 0.37481 0.48883 0.44290 0.04068  -0.04207 -0.11623 28  DA  D "O3'" 
1905 C  "C2'" . DA  C 9   ? 0.24841 0.39032 0.31207 0.00594  -0.01679 -0.09750 28  DA  D "C2'" 
1906 C  "C1'" . DA  C 9   ? 0.25401 0.35193 0.28623 0.00591  -0.02812 -0.07047 28  DA  D "C1'" 
1907 N  N9    . DA  C 9   ? 0.25384 0.35064 0.27811 -0.01395 -0.01532 -0.05202 28  DA  D N9    
1908 C  C8    . DA  C 9   ? 0.24173 0.36737 0.28810 -0.02527 -0.00363 -0.05718 28  DA  D C8    
1909 N  N7    . DA  C 9   ? 0.22383 0.33703 0.26039 -0.04190 0.00707  -0.03688 28  DA  D N7    
1910 C  C5    . DA  C 9   ? 0.26063 0.33720 0.26912 -0.04105 0.00094  -0.01840 28  DA  D C5    
1911 C  C6    . DA  C 9   ? 0.23000 0.28044 0.22512 -0.05323 0.00592  0.00468  28  DA  D C6    
1912 N  N6    . DA  C 9   ? 0.21742 0.27206 0.22363 -0.06852 0.01869  0.01572  28  DA  D N6    
1913 N  N1    . DA  C 9   ? 0.27333 0.29364 0.24989 -0.04923 -0.00177 0.01379  28  DA  D N1    
1914 C  C2    . DA  C 9   ? 0.26403 0.27742 0.23251 -0.03457 -0.01246 0.00211  28  DA  D C2    
1915 N  N3    . DA  C 9   ? 0.25353 0.28652 0.23216 -0.02110 -0.01842 -0.01796 28  DA  D N3    
1916 C  C4    . DA  C 9   ? 0.22852 0.29446 0.22833 -0.02486 -0.01192 -0.02783 28  DA  D C4    
1917 P  P     . DA  C 10  ? 0.37633 0.51311 0.45311 0.03399  -0.02409 -0.13661 29  DA  D P     
1918 O  OP1   . DA  C 10  ? 0.49965 0.63493 0.60471 0.05790  -0.03748 -0.15972 29  DA  D OP1   
1919 O  OP2   . DA  C 10  ? 0.36287 0.54062 0.45087 0.01406  0.00053  -0.14682 29  DA  D OP2   
1920 O  "O5'" . DA  C 10  ? 0.38178 0.48311 0.41631 0.02341  -0.02153 -0.11501 29  DA  D "O5'" 
1921 C  "C5'" . DA  C 10  ? 0.33365 0.38967 0.34656 0.02985  -0.03632 -0.09268 29  DA  D "C5'" 
1922 C  "C4'" . DA  C 10  ? 0.37868 0.41165 0.36280 0.01549  -0.03060 -0.07626 29  DA  D "C4'" 
1923 O  "O4'" . DA  C 10  ? 0.28981 0.32256 0.26083 -0.00133 -0.02444 -0.05390 29  DA  D "O4'" 
1924 C  "C3'" . DA  C 10  ? 0.35320 0.40573 0.33187 0.00583  -0.01945 -0.09045 29  DA  D "C3'" 
1925 O  "O3'" . DA  C 10  ? 0.40216 0.42470 0.36536 0.00465  -0.02454 -0.08531 29  DA  D "O3'" 
1926 C  "C2'" . DA  C 10  ? 0.28369 0.35993 0.24889 -0.01486 -0.00602 -0.07831 29  DA  D "C2'" 
1927 C  "C1'" . DA  C 10  ? 0.30452 0.35860 0.26498 -0.01834 -0.01183 -0.05192 29  DA  D "C1'" 
1928 N  N9    . DA  C 10  ? 0.31763 0.39375 0.28420 -0.02990 -0.00096 -0.04401 29  DA  D N9    
1929 C  C8    . DA  C 10  ? 0.24505 0.35388 0.23381 -0.02941 0.00832  -0.06070 29  DA  D C8    
1930 N  N7    . DA  C 10  ? 0.24273 0.36328 0.23557 -0.04299 0.01977  -0.04969 29  DA  D N7    
1931 C  C5    . DA  C 10  ? 0.24354 0.33666 0.21606 -0.05135 0.01620  -0.02311 29  DA  D C5    
1932 C  C6    . DA  C 10  ? 0.27480 0.36207 0.24577 -0.06561 0.02395  -0.00144 29  DA  D C6    
1933 N  N6    . DA  C 10  ? 0.23677 0.34465 0.22367 -0.07575 0.03925  -0.00258 29  DA  D N6    
1934 N  N1    . DA  C 10  ? 0.26889 0.32848 0.22748 -0.06943 0.01671  0.01934  29  DA  D N1    
1935 C  C2    . DA  C 10  ? 0.26765 0.30753 0.21548 -0.06114 0.00397  0.01742  29  DA  D C2    
1936 N  N3    . DA  C 10  ? 0.28062 0.32094 0.22605 -0.04869 -0.00276 -0.00129 29  DA  D N3    
1937 C  C4    . DA  C 10  ? 0.24738 0.31477 0.20538 -0.04359 0.00327  -0.02043 29  DA  D C4    
1938 P  P     . DA  C 11  ? 0.43230 0.46839 0.38140 -0.00675 -0.01792 -0.09868 30  DA  D P     
1939 O  OP1   . DA  C 11  ? 0.46243 0.46591 0.41362 0.00018  -0.02570 -0.10385 30  DA  D OP1   
1940 O  OP2   . DA  C 11  ? 0.37682 0.45100 0.33280 -0.00921 -0.00495 -0.12279 30  DA  D OP2   
1941 O  "O5'" . DA  C 11  ? 0.45012 0.48847 0.37469 -0.02560 -0.01687 -0.07432 30  DA  D "O5'" 
1942 C  "C5'" . DA  C 11  ? 0.43352 0.44228 0.35754 -0.02744 -0.02492 -0.05183 30  DA  D "C5'" 
1943 C  "C4'" . DA  C 11  ? 0.38398 0.40069 0.29285 -0.04337 -0.02484 -0.03161 30  DA  D "C4'" 
1944 O  "O4'" . DA  C 11  ? 0.32658 0.35984 0.23661 -0.04861 -0.01561 -0.02027 30  DA  D "O4'" 
1945 C  "C3'" . DA  C 11  ? 0.42701 0.46279 0.31176 -0.05323 -0.02585 -0.03903 30  DA  D "C3'" 
1946 O  "O3'" . DA  C 11  ? 0.42194 0.44479 0.30218 -0.05984 -0.03851 -0.02484 30  DA  D "O3'" 
1947 C  "C2'" . DA  C 11  ? 0.42207 0.48351 0.29047 -0.06292 -0.01273 -0.03262 30  DA  D "C2'" 
1948 C  "C1'" . DA  C 11  ? 0.35182 0.40414 0.23968 -0.06210 -0.01000 -0.01304 30  DA  D "C1'" 
1949 N  N9    . DA  C 11  ? 0.34228 0.41677 0.23455 -0.06641 0.00601  -0.01500 30  DA  D N9    
1950 C  C8    . DA  C 11  ? 0.30422 0.40121 0.20844 -0.06137 0.01683  -0.03957 30  DA  D C8    
1951 N  N7    . DA  C 11  ? 0.30425 0.42017 0.21839 -0.06841 0.03198  -0.03878 30  DA  D N7    
1952 C  C5    . DA  C 11  ? 0.31686 0.41870 0.22244 -0.07839 0.03121  -0.00995 30  DA  D C5    
1953 C  C6    . DA  C 11  ? 0.28407 0.39208 0.19661 -0.08987 0.04510  0.00418  30  DA  D C6    
1954 N  N6    . DA  C 11  ? 0.25780 0.39100 0.18810 -0.09466 0.06389  -0.01089 30  DA  D N6    
1955 N  N1    . DA  C 11  ? 0.30885 0.39648 0.21585 -0.09663 0.04011  0.03212  30  DA  D N1    
1956 C  C2    . DA  C 11  ? 0.28557 0.35158 0.18366 -0.09225 0.02188  0.04325  30  DA  D C2    
1957 N  N3    . DA  C 11  ? 0.30459 0.36429 0.19631 -0.08298 0.00853  0.03051  30  DA  D N3    
1958 C  C4    . DA  C 11  ? 0.27562 0.35261 0.16961 -0.07639 0.01441  0.00475  30  DA  D C4    
1959 P  P     . DG  C 12  ? 0.49405 0.53127 0.34491 -0.06926 -0.04870 -0.02904 31  DG  D P     
1960 O  OP1   . DG  C 12  ? 0.44372 0.46400 0.31241 -0.06808 -0.06442 -0.03135 31  DG  D OP1   
1961 O  OP2   . DG  C 12  ? 0.52672 0.58575 0.35499 -0.07091 -0.03885 -0.05355 31  DG  D OP2   
1962 O  "O5'" . DG  C 12  ? 0.44062 0.48375 0.27188 -0.07934 -0.04998 0.00023  31  DG  D "O5'" 
1963 C  "C5'" . DG  C 12  ? 0.43201 0.45864 0.28803 -0.07938 -0.05390 0.02378  31  DG  D "C5'" 
1964 C  "C4'" . DG  C 12  ? 0.43876 0.47057 0.27561 -0.08839 -0.05198 0.04968  31  DG  D "C4'" 
1965 O  "O4'" . DG  C 12  ? 0.42639 0.46820 0.26132 -0.09092 -0.02999 0.04965  31  DG  D "O4'" 
1966 C  "C3'" . DG  C 12  ? 0.52008 0.56260 0.30963 -0.09575 -0.06191 0.05371  31  DG  D "C3'" 
1967 O  "O3'" . DG  C 12  ? 0.54993 0.58077 0.34646 -0.09544 -0.07444 0.07900  31  DG  D "O3'" 
1968 C  "C2'" . DG  C 12  ? 0.46896 0.52476 0.23633 -0.10022 -0.03658 0.04788  31  DG  D "C2'" 
1969 C  "C1'" . DG  C 12  ? 0.40849 0.46104 0.20672 -0.10051 -0.02191 0.05796  31  DG  D "C1'" 
1970 N  N9    . DG  C 12  ? 0.35532 0.42549 0.15245 -0.10357 0.00244  0.04266  31  DG  D N9    
1971 C  C8    . DG  C 12  ? 0.42347 0.51000 0.22342 -0.09894 0.01086  0.01192  31  DG  D C8    
1972 N  N7    . DG  C 12  ? 0.40983 0.51380 0.21871 -0.10260 0.03284  0.00104  31  DG  D N7    
1973 C  C5    . DG  C 12  ? 0.37798 0.47320 0.19145 -0.10946 0.03971  0.02596  31  DG  D C5    
1974 C  C6    . DG  C 12  ? 0.35632 0.45960 0.18882 -0.11368 0.06043  0.02436  31  DG  D C6    
1975 O  O6    . DG  C 12  ? 0.36143 0.48740 0.20854 -0.11558 0.07829  0.00085  31  DG  D O6    
1976 N  N1    . DG  C 12  ? 0.37384 0.45604 0.21493 -0.11341 0.05873  0.04935  31  DG  D N1    
1977 C  C2    . DG  C 12  ? 0.38774 0.44761 0.22491 -0.10906 0.03988  0.07123  31  DG  D C2    
1978 N  N2    . DG  C 12  ? 0.35493 0.39766 0.20657 -0.10637 0.04333  0.08821  31  DG  D N2    
1979 N  N3    . DG  C 12  ? 0.35584 0.41142 0.18016 -0.10662 0.01985  0.07293  31  DG  D N3    
1980 C  C4    . DG  C 12  ? 0.35667 0.42901 0.16732 -0.10730 0.02077  0.05063  31  DG  D C4    
1981 O  "O5'" . DC  D 1   ? 0.77683 0.89581 0.77629 -0.25267 0.21490  0.14222  41  DC  E "O5'" 
1982 C  "C5'" . DC  D 1   ? 0.54500 0.67312 0.53177 -0.23319 0.19021  0.11508  41  DC  E "C5'" 
1983 C  "C4'" . DC  D 1   ? 0.55771 0.63987 0.47171 -0.20234 0.18505  0.12137  41  DC  E "C4'" 
1984 O  "O4'" . DC  D 1   ? 0.52190 0.65321 0.42191 -0.17218 0.19037  0.10936  41  DC  E "O4'" 
1985 C  "C3'" . DC  D 1   ? 0.52125 0.55333 0.41214 -0.19784 0.15527  0.10704  41  DC  E "C3'" 
1986 O  "O3'" . DC  D 1   ? 0.56440 0.52639 0.40115 -0.18469 0.15204  0.12546  41  DC  E "O3'" 
1987 C  "C2'" . DC  D 1   ? 0.46501 0.53564 0.35009 -0.16805 0.14186  0.08450  41  DC  E "C2'" 
1988 C  "C1'" . DC  D 1   ? 0.48473 0.59587 0.35218 -0.15065 0.16645  0.09253  41  DC  E "C1'" 
1989 N  N1    . DC  D 1   ? 0.45504 0.62630 0.34624 -0.12934 0.16178  0.06764  41  DC  E N1    
1990 C  C2    . DC  D 1   ? 0.42388 0.58033 0.28343 -0.09485 0.14196  0.05078  41  DC  E C2    
1991 O  O2    . DC  D 1   ? 0.45226 0.55732 0.26547 -0.08474 0.13004  0.05740  41  DC  E O2    
1992 N  N3    . DC  D 1   ? 0.38749 0.58640 0.27066 -0.07337 0.13602  0.02769  41  DC  E N3    
1993 C  C4    . DC  D 1   ? 0.37291 0.63235 0.30858 -0.08079 0.14853  0.02179  41  DC  E C4    
1994 N  N4    . DC  D 1   ? 0.34934 0.64394 0.30507 -0.05415 0.14188  -0.00016 41  DC  E N4    
1995 C  C5    . DC  D 1   ? 0.38774 0.67428 0.36094 -0.11611 0.16758  0.03795  41  DC  E C5    
1996 C  C6    . DC  D 1   ? 0.42194 0.65888 0.37188 -0.14100 0.17297  0.05996  41  DC  E C6    
1997 N  N1    . BRU D 2   ? 0.33606 0.38701 0.20459 -0.08926 0.06107  0.02591  42  BRU E N1    
1998 C  C2    . BRU D 2   ? 0.33133 0.40995 0.20832 -0.06645 0.05211  0.00924  42  BRU E C2    
1999 N  N3    . BRU D 2   ? 0.28673 0.41299 0.20236 -0.06475 0.05607  -0.00172 42  BRU E N3    
2000 C  C4    . BRU D 2   ? 0.32744 0.48680 0.27915 -0.08654 0.06804  0.00218  42  BRU E C4    
2001 C  C5    . BRU D 2   ? 0.31942 0.45239 0.26654 -0.11635 0.07709  0.01814  42  BRU E C5    
2002 C  C6    . BRU D 2   ? 0.34443 0.41772 0.24656 -0.11511 0.07348  0.02993  42  BRU E C6    
2003 O  O2    . BRU D 2   ? 0.35461 0.41194 0.20484 -0.04729 0.03920  0.00430  42  BRU E O2    
2004 O  O4    . BRU D 2   ? 0.31331 0.52469 0.30486 -0.08218 0.07077  -0.00775 42  BRU E O4    
2005 BR BR    . BRU D 2   ? 0.65580 0.83582 0.66272 -0.15612 0.09146  0.02148  42  BRU E BR    
2006 C  "C1'" . BRU D 2   ? 0.36450 0.36135 0.18920 -0.08418 0.05617  0.03884  42  BRU E "C1'" 
2007 C  "C2'" . BRU D 2   ? 0.36791 0.32484 0.19716 -0.09617 0.04397  0.04002  42  BRU E "C2'" 
2008 C  "C3'" . BRU D 2   ? 0.42886 0.33425 0.21488 -0.09623 0.05258  0.06181  42  BRU E "C3'" 
2009 C  "C4'" . BRU D 2   ? 0.45240 0.37768 0.21669 -0.09429 0.07470  0.07645  42  BRU E "C4'" 
2010 O  "O3'" . BRU D 2   ? 0.46831 0.34900 0.22204 -0.06994 0.03713  0.06241  42  BRU E "O3'" 
2011 O  "O4'" . BRU D 2   ? 0.41627 0.40043 0.21291 -0.09306 0.07908  0.06058  42  BRU E "O4'" 
2012 C  "C5'" . BRU D 2   ? 0.51506 0.41528 0.27044 -0.11957 0.09895  0.10192  42  BRU E "C5'" 
2013 O  "O5'" . BRU D 2   ? 0.50148 0.41675 0.30718 -0.15125 0.10293  0.09474  42  BRU E "O5'" 
2014 P  P     . BRU D 2   ? 0.56194 0.45651 0.37972 -0.18373 0.12584  0.11732  42  BRU E P     
2015 O  OP1   . BRU D 2   ? 0.62045 0.45441 0.39316 -0.16734 0.12778  0.14137  42  BRU E OP1   
2016 O  OP2   . BRU D 2   ? 0.55131 0.44941 0.42024 -0.21579 0.11696  0.10122  42  BRU E OP2   
2017 P  P     . DT  D 3   ? 0.42972 0.29879 0.19477 -0.05829 0.01419  0.04791  43  DT  E P     
2018 O  OP1   . DT  D 3   ? 0.47425 0.30905 0.20177 -0.03716 0.00735  0.05943  43  DT  E OP1   
2019 O  OP2   . DT  D 3   ? 0.39165 0.25352 0.18450 -0.07722 0.01114  0.03829  43  DT  E OP2   
2020 O  "O5'" . DT  D 3   ? 0.39517 0.31020 0.18112 -0.04556 0.00321  0.03096  43  DT  E "O5'" 
2021 C  "C5'" . DT  D 3   ? 0.39105 0.31885 0.15660 -0.02843 0.00072  0.03051  43  DT  E "C5'" 
2022 C  "C4'" . DT  D 3   ? 0.32460 0.28426 0.11602 -0.02077 -0.01069 0.01241  43  DT  E "C4'" 
2023 O  "O4'" . DT  D 3   ? 0.29124 0.27927 0.11106 -0.03100 -0.00113 0.00524  43  DT  E "O4'" 
2024 C  "C3'" . DT  D 3   ? 0.32322 0.28124 0.13552 -0.01681 -0.02697 0.00592  43  DT  E "C3'" 
2025 O  "O3'" . DT  D 3   ? 0.34418 0.31610 0.16243 -0.00458 -0.03854 -0.00279 43  DT  E "O3'" 
2026 C  "C2'" . DT  D 3   ? 0.24633 0.22321 0.09184 -0.02839 -0.02479 -0.00094 43  DT  E "C2'" 
2027 C  "C1'" . DT  D 3   ? 0.27841 0.27966 0.12964 -0.02967 -0.01345 -0.00528 43  DT  E "C1'" 
2028 N  N1    . DT  D 3   ? 0.27712 0.30484 0.15888 -0.04227 -0.00561 -0.00843 43  DT  E N1    
2029 C  C2    . DT  D 3   ? 0.27429 0.33304 0.18046 -0.03379 -0.00644 -0.01869 43  DT  E C2    
2030 O  O2    . DT  D 3   ? 0.28453 0.34170 0.18777 -0.01845 -0.01348 -0.02633 43  DT  E O2    
2031 N  N3    . DT  D 3   ? 0.21592 0.30707 0.15287 -0.04370 -0.00023 -0.02072 43  DT  E N3    
2032 C  C4    . DT  D 3   ? 0.25144 0.34715 0.19959 -0.06586 0.00581  -0.01556 43  DT  E C4    
2033 O  O4    . DT  D 3   ? 0.21987 0.35398 0.20247 -0.07549 0.00866  -0.01977 43  DT  E O4    
2034 C  C5    . DT  D 3   ? 0.27884 0.33093 0.19797 -0.07650 0.00715  -0.00585 43  DT  E C5    
2035 C  C7    . DT  D 3   ? 0.27435 0.31631 0.20306 -0.10306 0.01257  -0.00179 43  DT  E C7    
2036 C  C6    . DT  D 3   ? 0.27616 0.29705 0.16260 -0.06177 0.00193  -0.00182 43  DT  E C6    
2037 P  P     . DT  D 4   ? 0.29523 0.27700 0.14501 0.00007  -0.04954 -0.00540 44  DT  E P     
2038 O  OP1   . DT  D 4   ? 0.26233 0.25168 0.11193 0.00705  -0.05589 -0.00676 44  DT  E OP1   
2039 O  OP2   . DT  D 4   ? 0.31763 0.28752 0.16959 -0.00213 -0.04863 0.00060  44  DT  E OP2   
2040 O  "O5'" . DT  D 4   ? 0.31073 0.30565 0.18241 -0.00286 -0.05414 -0.01504 44  DT  E "O5'" 
2041 C  "C5'" . DT  D 4   ? 0.27641 0.27551 0.14326 0.00093  -0.05581 -0.02617 44  DT  E "C5'" 
2042 C  "C4'" . DT  D 4   ? 0.29130 0.29769 0.18237 0.00160  -0.05749 -0.03350 44  DT  E "C4'" 
2043 O  "O4'" . DT  D 4   ? 0.28594 0.30462 0.18498 -0.00328 -0.04629 -0.02965 44  DT  E "O4'" 
2044 C  "C3'" . DT  D 4   ? 0.23900 0.24341 0.15486 -0.00022 -0.06686 -0.02845 44  DT  E "C3'" 
2045 O  "O3'" . DT  D 4   ? 0.29680 0.29508 0.22777 0.00383  -0.07302 -0.03796 44  DT  E "O3'" 
2046 C  "C2'" . DT  D 4   ? 0.27101 0.28509 0.19733 -0.00348 -0.06119 -0.02058 44  DT  E "C2'" 
2047 C  "C1'" . DT  D 4   ? 0.25064 0.27650 0.17518 -0.00294 -0.05139 -0.02739 44  DT  E "C1'" 
2048 N  N1    . DT  D 4   ? 0.23698 0.27805 0.16868 -0.01118 -0.04519 -0.02339 44  DT  E N1    
2049 C  C2    . DT  D 4   ? 0.21867 0.28490 0.17246 -0.00814 -0.04233 -0.02763 44  DT  E C2    
2050 O  O2    . DT  D 4   ? 0.21219 0.28323 0.17752 0.00457  -0.04381 -0.03355 44  DT  E O2    
2051 N  N3    . DT  D 4   ? 0.21240 0.29784 0.17666 -0.01964 -0.03925 -0.02622 44  DT  E N3    
2052 C  C4    . DT  D 4   ? 0.23841 0.31068 0.18997 -0.03449 -0.03822 -0.02263 44  DT  E C4    
2053 O  O4    . DT  D 4   ? 0.23683 0.32495 0.20145 -0.04758 -0.03763 -0.02501 44  DT  E O4    
2054 C  C5    . DT  D 4   ? 0.23505 0.27381 0.15932 -0.03277 -0.03959 -0.01757 44  DT  E C5    
2055 C  C7    . DT  D 4   ? 0.22879 0.24347 0.13565 -0.04296 -0.03863 -0.01435 44  DT  E C7    
2056 C  C6    . DT  D 4   ? 0.21060 0.24051 0.12787 -0.02111 -0.04307 -0.01760 44  DT  E C6    
2057 P  P     . DT  D 5   ? 0.26695 0.25639 0.22436 0.00015  -0.08169 -0.03103 45  DT  E P     
2058 O  OP1   . DT  D 5   ? 0.26796 0.24059 0.23067 0.00096  -0.09081 -0.04705 45  DT  E OP1   
2059 O  OP2   . DT  D 5   ? 0.28236 0.28051 0.24232 -0.00596 -0.08276 -0.01734 45  DT  E OP2   
2060 O  "O5'" . DT  D 5   ? 0.23914 0.23152 0.21038 0.00593  -0.07705 -0.02353 45  DT  E "O5'" 
2061 C  "C5'" . DT  D 5   ? 0.31817 0.30791 0.29369 0.01682  -0.07484 -0.03483 45  DT  E "C5'" 
2062 C  "C4'" . DT  D 5   ? 0.28638 0.29266 0.27428 0.02435  -0.07166 -0.02559 45  DT  E "C4'" 
2063 O  "O4'" . DT  D 5   ? 0.25904 0.29053 0.23857 0.01756  -0.06566 -0.02265 45  DT  E "O4'" 
2064 C  "C3'" . DT  D 5   ? 0.30399 0.30281 0.30380 0.02526  -0.07706 -0.00667 45  DT  E "C3'" 
2065 O  "O3'" . DT  D 5   ? 0.33544 0.32486 0.34960 0.04090  -0.07979 -0.00491 45  DT  E "O3'" 
2066 C  "C2'" . DT  D 5   ? 0.26486 0.29078 0.25713 0.02156  -0.07503 0.00194  45  DT  E "C2'" 
2067 C  "C1'" . DT  D 5   ? 0.23835 0.28453 0.22850 0.02089  -0.06917 -0.01195 45  DT  E "C1'" 
2068 N  N1    . DT  D 5   ? 0.24825 0.31283 0.22979 0.01017  -0.06699 -0.01091 45  DT  E N1    
2069 C  C2    . DT  D 5   ? 0.18335 0.27825 0.17796 0.01054  -0.06702 -0.01471 45  DT  E C2    
2070 O  O2    . DT  D 5   ? 0.19385 0.30652 0.20741 0.02278  -0.06788 -0.01745 45  DT  E O2    
2071 N  N3    . DT  D 5   ? 0.22943 0.33371 0.21674 -0.00331 -0.06704 -0.01668 45  DT  E N3    
2072 C  C4    . DT  D 5   ? 0.17341 0.25533 0.13849 -0.01281 -0.06588 -0.01501 45  DT  E C4    
2073 O  O4    . DT  D 5   ? 0.25052 0.33410 0.20901 -0.02414 -0.06661 -0.01957 45  DT  E O4    
2074 C  C5    . DT  D 5   ? 0.20088 0.25775 0.15394 -0.00804 -0.06493 -0.00920 45  DT  E C5    
2075 C  C7    . DT  D 5   ? 0.20902 0.24717 0.14143 -0.01214 -0.06370 -0.00678 45  DT  E C7    
2076 C  C6    . DT  D 5   ? 0.21425 0.26583 0.17785 0.00076  -0.06615 -0.00770 45  DT  E C6    
2077 P  P     . DG  D 6   ? 0.33226 0.29634 0.35690 0.04500  -0.08478 0.01676  46  DG  E P     
2078 O  OP1   . DG  D 6   ? 0.44370 0.39851 0.47952 0.06726  -0.08763 0.01690  46  DG  E OP1   
2079 O  OP2   . DG  D 6   ? 0.51336 0.44894 0.54259 0.02929  -0.08654 0.01815  46  DG  E OP2   
2080 O  "O5'" . DG  D 6   ? 0.47193 0.46343 0.48688 0.04205  -0.08399 0.03612  46  DG  E "O5'" 
2081 C  "C5'" . DG  D 6   ? 0.42952 0.43121 0.44507 0.05762  -0.08802 0.05238  46  DG  E "C5'" 
2082 C  "C4'" . DG  D 6   ? 0.35175 0.39279 0.36993 0.06743  -0.09123 0.04009  46  DG  E "C4'" 
2083 O  "O4'" . DG  D 6   ? 0.36260 0.42587 0.37142 0.05076  -0.08733 0.02616  46  DG  E "O4'" 
2084 C  "C3'" . DG  D 6   ? 0.30652 0.37344 0.32042 0.08211  -0.09975 0.05566  46  DG  E "C3'" 
2085 O  "O3'" . DG  D 6   ? 0.34971 0.43557 0.38200 0.10275  -0.10554 0.05039  46  DG  E "O3'" 
2086 C  "C2'" . DG  D 6   ? 0.28027 0.37702 0.28127 0.06562  -0.09916 0.04590  46  DG  E "C2'" 
2087 C  "C1'" . DG  D 6   ? 0.30034 0.40084 0.30859 0.05366  -0.09326 0.02497  46  DG  E "C1'" 
2088 N  N9    . DG  D 6   ? 0.27421 0.38291 0.26774 0.03539  -0.09044 0.01631  46  DG  E N9    
2089 C  C8    . DG  D 6   ? 0.24060 0.32793 0.21760 0.02389  -0.08471 0.01695  46  DG  E C8    
2090 N  N7    . DG  D 6   ? 0.28782 0.37516 0.25368 0.01162  -0.08142 0.00783  46  DG  E N7    
2091 C  C5    . DG  D 6   ? 0.23993 0.35177 0.21749 0.01093  -0.08591 0.00044  46  DG  E C5    
2092 C  C6    . DG  D 6   ? 0.19527 0.31584 0.17124 -0.00139 -0.08736 -0.01139 46  DG  E C6    
2093 O  O6    . DG  D 6   ? 0.23351 0.33591 0.19361 -0.01162 -0.08468 -0.01771 46  DG  E O6    
2094 N  N1    . DG  D 6   ? 0.18014 0.33411 0.17749 0.00030  -0.09410 -0.01624 46  DG  E N1    
2095 C  C2    . DG  D 6   ? 0.18047 0.35549 0.19639 0.01649  -0.09794 -0.00983 46  DG  E C2    
2096 N  N2    . DG  D 6   ? 0.18864 0.39991 0.22687 0.01790  -0.10447 -0.01592 46  DG  E N2    
2097 N  N3    . DG  D 6   ? 0.17857 0.33891 0.19330 0.03127  -0.09651 0.00145  46  DG  E N3    
2098 C  C4    . DG  D 6   ? 0.19243 0.32173 0.18814 0.02556  -0.09097 0.00573  46  DG  E C4    
2099 P  P     . DT  D 7   ? 0.45294 0.53964 0.40067 0.04829  -0.00425 -0.08792 47  DT  E P     
2100 O  OP1   . DT  D 7   ? 0.53587 0.61178 0.48430 0.07646  -0.00742 -0.10088 47  DT  E OP1   
2101 O  OP2   . DT  D 7   ? 0.45827 0.49761 0.37995 0.02263  -0.00577 -0.08543 47  DT  E OP2   
2102 O  "O5'" . DT  D 7   ? 0.48597 0.60631 0.46275 0.05160  -0.00800 -0.07359 47  DT  E "O5'" 
2103 C  "C5'" . DT  D 7   ? 0.40828 0.52160 0.37828 0.03170  -0.01215 -0.06111 47  DT  E "C5'" 
2104 C  "C4'" . DT  D 7   ? 0.37716 0.52766 0.38271 0.03721  -0.01858 -0.05610 47  DT  E "C4'" 
2105 O  "O4'" . DT  D 7   ? 0.24314 0.43594 0.27312 0.02378  0.00085  -0.05220 47  DT  E "O4'" 
2106 C  "C3'" . DT  D 7   ? 0.32493 0.44459 0.30643 0.02954  -0.03576 -0.04702 47  DT  E "C3'" 
2107 O  "O3'" . DT  D 7   ? 0.42660 0.53888 0.41276 0.05597  -0.06193 -0.05238 47  DT  E "O3'" 
2108 C  "C2'" . DT  D 7   ? 0.32279 0.47950 0.32856 0.00980  -0.02668 -0.04172 47  DT  E "C2'" 
2109 C  "C1'" . DT  D 7   ? 0.22704 0.43024 0.27082 0.01067  -0.00505 -0.04552 47  DT  E "C1'" 
2110 N  N1    . DT  D 7   ? 0.18240 0.39111 0.21714 -0.00720 0.01020  -0.03785 47  DT  E N1    
2111 C  C2    . DT  D 7   ? 0.16565 0.39707 0.22709 -0.01709 0.01934  -0.03386 47  DT  E C2    
2112 O  O2    . DT  D 7   ? 0.16506 0.42200 0.26847 -0.01589 0.01773  -0.04043 47  DT  E O2    
2113 N  N3    . DT  D 7   ? 0.18395 0.40776 0.22630 -0.02715 0.02950  -0.02666 47  DT  E N3    
2114 C  C4    . DT  D 7   ? 0.18676 0.39559 0.19696 -0.02618 0.02719  -0.02841 47  DT  E C4    
2115 O  O4    . DT  D 7   ? 0.22950 0.43606 0.22782 -0.02820 0.03091  -0.02627 47  DT  E O4    
2116 C  C5    . DT  D 7   ? 0.19061 0.38610 0.18673 -0.02132 0.01854  -0.03776 47  DT  E C5    
2117 C  C7    . DT  D 7   ? 0.19361 0.38335 0.17362 -0.02421 0.01550  -0.05085 47  DT  E C7    
2118 C  C6    . DT  D 7   ? 0.21082 0.39981 0.21411 -0.01311 0.01214  -0.03934 47  DT  E C6    
2119 P  P     . DA  D 8   ? 0.49698 0.54098 0.41802 0.06175  -0.08580 -0.04274 48  DA  E P     
2120 O  OP1   . DA  D 8   ? 0.56887 0.58616 0.47615 0.10350  -0.11859 -0.05130 48  DA  E OP1   
2121 O  OP2   . DA  D 8   ? 0.48618 0.47296 0.35185 0.03374  -0.06301 -0.03111 48  DA  E OP2   
2122 O  "O5'" . DA  D 8   ? 0.47723 0.56110 0.42399 0.04916  -0.09282 -0.04309 48  DA  E "O5'" 
2123 C  "C5'" . DA  D 8   ? 0.48458 0.64286 0.50979 0.05766  -0.10187 -0.06012 48  DA  E "C5'" 
2124 C  "C4'" . DA  D 8   ? 0.27560 0.46334 0.32367 0.03218  -0.09450 -0.05942 48  DA  E "C4'" 
2125 O  "O4'" . DA  D 8   ? 0.23592 0.43903 0.29498 0.00549  -0.05837 -0.04936 48  DA  E "O4'" 
2126 C  "C3'" . DA  D 8   ? 0.31129 0.44503 0.29041 0.02510  -0.10686 -0.04927 48  DA  E "C3'" 
2127 O  "O3'" . DA  D 8   ? 0.43648 0.56500 0.40691 0.05096  -0.14786 -0.06302 48  DA  E "O3'" 
2128 C  "C2'" . DA  D 8   ? 0.36025 0.52377 0.36599 -0.00590 -0.08320 -0.04640 48  DA  E "C2'" 
2129 C  "C1'" . DA  D 8   ? 0.25729 0.46490 0.31690 -0.01432 -0.05503 -0.04666 48  DA  E "C1'" 
2130 N  N9    . DA  D 8   ? 0.21494 0.41194 0.25399 -0.03348 -0.02910 -0.03497 48  DA  E N9    
2131 C  C8    . DA  D 8   ? 0.22679 0.39782 0.23096 -0.03605 -0.01869 -0.02955 48  DA  E C8    
2132 N  N7    . DA  D 8   ? 0.23502 0.41234 0.23694 -0.04874 -0.00312 -0.02769 48  DA  E N7    
2133 C  C5    . DA  D 8   ? 0.15748 0.35455 0.18427 -0.05481 -0.00048 -0.02673 48  DA  E C5    
2134 C  C6    . DA  D 8   ? 0.15824 0.35991 0.18811 -0.06295 0.01155  -0.02438 48  DA  E C6    
2135 N  N6    . DA  D 8   ? 0.17596 0.37303 0.18795 -0.06158 0.01803  -0.02575 48  DA  E N6    
2136 N  N1    . DA  D 8   ? 0.17047 0.38073 0.22545 -0.07029 0.01410  -0.02515 48  DA  E N1    
2137 C  C2    . DA  D 8   ? 0.18215 0.40891 0.26891 -0.07044 0.00266  -0.03346 48  DA  E C2    
2138 N  N3    . DA  D 8   ? 0.17770 0.41073 0.26914 -0.05759 -0.01491 -0.03954 48  DA  E N3    
2139 C  C4    . DA  D 8   ? 0.16896 0.37993 0.22275 -0.04955 -0.01445 -0.03263 48  DA  E C4    
2140 N  N1    . BRU D 9   ? 0.28162 0.45448 0.28783 -0.05729 -0.07144 -0.05407 49  BRU E N1    
2141 C  C2    . BRU D 9   ? 0.27247 0.45718 0.29946 -0.07574 -0.04543 -0.05011 49  BRU E C2    
2142 N  N3    . BRU D 9   ? 0.21629 0.38870 0.22098 -0.08126 -0.02419 -0.03945 49  BRU E N3    
2143 C  C4    . BRU D 9   ? 0.25075 0.40151 0.22092 -0.07741 -0.02126 -0.03370 49  BRU E C4    
2144 C  C5    . BRU D 9   ? 0.24056 0.36551 0.18097 -0.06309 -0.04105 -0.03270 49  BRU E C5    
2145 C  C6    . BRU D 9   ? 0.25624 0.39283 0.21253 -0.04929 -0.06892 -0.04255 49  BRU E C6    
2146 O  O2    . BRU D 9   ? 0.25942 0.46388 0.32681 -0.08513 -0.04416 -0.06015 49  BRU E O2    
2147 O  O4    . BRU D 9   ? 0.22362 0.37269 0.18676 -0.08392 -0.00388 -0.03252 49  BRU E O4    
2148 BR BR    . BRU D 9   ? 0.45607 0.52766 0.33947 -0.06204 -0.02987 -0.02392 49  BRU E BR    
2149 C  "C1'" . BRU D 9   ? 0.25271 0.45074 0.29419 -0.04474 -0.10341 -0.07526 49  BRU E "C1'" 
2150 C  "C2'" . BRU D 9   ? 0.34039 0.49424 0.31090 -0.02718 -0.13669 -0.08094 49  BRU E "C2'" 
2151 C  "C3'" . BRU D 9   ? 0.33792 0.52047 0.34666 0.00093  -0.17738 -0.10383 49  BRU E "C3'" 
2152 C  "C4'" . BRU D 9   ? 0.32723 0.55706 0.40708 0.00083  -0.16063 -0.10451 49  BRU E "C4'" 
2153 O  "O3'" . BRU D 9   ? 0.33318 0.54917 0.40367 -0.00771 -0.18273 -0.12402 49  BRU E "O3'" 
2154 O  "O4'" . BRU D 9   ? 0.26016 0.48556 0.34019 -0.02631 -0.11475 -0.08253 49  BRU E "O4'" 
2155 C  "C5'" . BRU D 9   ? 0.40228 0.60178 0.44162 0.03326  -0.17947 -0.09836 49  BRU E "C5'" 
2156 O  "O5'" . BRU D 9   ? 0.46698 0.59173 0.41151 0.02757  -0.16073 -0.06968 49  BRU E "O5'" 
2157 P  P     . BRU D 9   ? 0.47477 0.54195 0.36026 0.05123  -0.16501 -0.05615 49  BRU E P     
2158 O  OP1   . BRU D 9   ? 0.54867 0.58775 0.39736 0.09665  -0.21727 -0.06985 49  BRU E OP1   
2159 O  OP2   . BRU D 9   ? 0.51425 0.51650 0.32614 0.02645  -0.12957 -0.03250 49  BRU E OP2   
2160 P  P     . DA  D 10  ? 0.45766 0.64187 0.48158 -0.01216 -0.19537 -0.13086 50  DA  E P     
2161 O  OP1   . DA  D 10  ? 0.48656 0.70669 0.57351 -0.00312 -0.21724 -0.15958 50  DA  E OP1   
2162 O  OP2   . DA  D 10  ? 0.53943 0.65265 0.44540 0.00341  -0.20499 -0.11483 50  DA  E OP2   
2163 O  "O5'" . DA  D 10  ? 0.42100 0.61522 0.47136 -0.04757 -0.15877 -0.12534 50  DA  E "O5'" 
2164 C  "C5'" . DA  D 10  ? 0.35991 0.59620 0.49899 -0.06752 -0.13224 -0.13005 50  DA  E "C5'" 
2165 C  "C4'" . DA  D 10  ? 0.29405 0.51722 0.43681 -0.09235 -0.10502 -0.12652 50  DA  E "C4'" 
2166 O  "O4'" . DA  D 10  ? 0.31516 0.52516 0.42332 -0.10089 -0.07748 -0.10471 50  DA  E "O4'" 
2167 C  "C3'" . DA  D 10  ? 0.34106 0.53495 0.44146 -0.09198 -0.12254 -0.13863 50  DA  E "C3'" 
2168 O  "O3'" . DA  D 10  ? 0.36428 0.56029 0.50885 -0.11234 -0.10361 -0.14750 50  DA  E "O3'" 
2169 C  "C2'" . DA  D 10  ? 0.32267 0.48276 0.34310 -0.09133 -0.11099 -0.12246 50  DA  E "C2'" 
2170 C  "C1'" . DA  D 10  ? 0.33431 0.51062 0.37994 -0.10292 -0.07719 -0.10240 50  DA  E "C1'" 
2171 N  N9    . DA  D 10  ? 0.35078 0.50388 0.34142 -0.09493 -0.06604 -0.08165 50  DA  E N9    
2172 C  C8    . DA  D 10  ? 0.33177 0.46719 0.28180 -0.07941 -0.08142 -0.07565 50  DA  E C8    
2173 N  N7    . DA  D 10  ? 0.34414 0.45603 0.25597 -0.08193 -0.06014 -0.05946 50  DA  E N7    
2174 C  C5    . DA  D 10  ? 0.28516 0.41100 0.22029 -0.09594 -0.03439 -0.05799 50  DA  E C5    
2175 C  C6    . DA  D 10  ? 0.25952 0.38400 0.18741 -0.10276 -0.00917 -0.05282 50  DA  E C6    
2176 N  N6    . DA  D 10  ? 0.27326 0.37924 0.17154 -0.10486 0.00148  -0.04747 50  DA  E N6    
2177 N  N1    . DA  D 10  ? 0.27371 0.41487 0.22872 -0.10593 0.00323  -0.05758 50  DA  E N1    
2178 C  C2    . DA  D 10  ? 0.24101 0.38643 0.21996 -0.10666 -0.00274 -0.06239 50  DA  E C2    
2179 N  N3    . DA  D 10  ? 0.27888 0.42629 0.27369 -0.10851 -0.01990 -0.06884 50  DA  E N3    
2180 C  C4    . DA  D 10  ? 0.30786 0.45183 0.28343 -0.10141 -0.03794 -0.06843 50  DA  E C4    
2181 P  P     . DA  D 11  ? 0.42535 0.59270 0.53972 -0.11626 -0.11422 -0.16365 51  DA  E P     
2182 O  OP1   . DA  D 11  ? 0.42126 0.60001 0.60305 -0.13389 -0.10441 -0.18064 51  DA  E OP1   
2183 O  OP2   . DA  D 11  ? 0.55991 0.70683 0.60678 -0.09490 -0.14918 -0.17121 51  DA  E OP2   
2184 O  "O5'" . DA  D 11  ? 0.42581 0.56808 0.50060 -0.12507 -0.08487 -0.14890 51  DA  E "O5'" 
2185 C  "C5'" . DA  D 11  ? 0.34041 0.48652 0.44695 -0.13939 -0.05149 -0.13471 51  DA  E "C5'" 
2186 C  "C4'" . DA  D 11  ? 0.32732 0.44704 0.38889 -0.13752 -0.03258 -0.12446 51  DA  E "C4'" 
2187 O  "O4'" . DA  D 11  ? 0.34490 0.46915 0.36687 -0.12514 -0.02878 -0.10664 51  DA  E "O4'" 
2188 C  "C3'" . DA  D 11  ? 0.42989 0.52607 0.45599 -0.13584 -0.04169 -0.14442 51  DA  E "C3'" 
2189 O  "O3'" . DA  D 11  ? 0.39114 0.46230 0.41621 -0.13501 -0.02009 -0.14141 51  DA  E "O3'" 
2190 C  "C2'" . DA  D 11  ? 0.33643 0.42807 0.29869 -0.12363 -0.04593 -0.13837 51  DA  E "C2'" 
2191 C  "C1'" . DA  D 11  ? 0.33345 0.43928 0.30443 -0.12037 -0.02720 -0.11341 51  DA  E "C1'" 
2192 N  N9    . DA  D 11  ? 0.33977 0.44230 0.26773 -0.11480 -0.02874 -0.10372 51  DA  E N9    
2193 C  C8    . DA  D 11  ? 0.32721 0.41985 0.22409 -0.10760 -0.05203 -0.10486 51  DA  E C8    
2194 N  N7    . DA  D 11  ? 0.35252 0.42496 0.20147 -0.10390 -0.04269 -0.09148 51  DA  E N7    
2195 C  C5    . DA  D 11  ? 0.35292 0.43608 0.21734 -0.11275 -0.01158 -0.08636 51  DA  E C5    
2196 C  C6    . DA  D 11  ? 0.34310 0.42035 0.18917 -0.11891 0.01359  -0.07979 51  DA  E C6    
2197 N  N6    . DA  D 11  ? 0.37300 0.41499 0.16639 -0.11984 0.01768  -0.07028 51  DA  E N6    
2198 N  N1    . DA  D 11  ? 0.33193 0.43707 0.21626 -0.12281 0.03356  -0.08694 51  DA  E N1    
2199 C  C2    . DA  D 11  ? 0.32002 0.44307 0.24146 -0.11633 0.02856  -0.09378 51  DA  E C2    
2200 N  N3    . DA  D 11  ? 0.35873 0.47513 0.29146 -0.11367 0.01218  -0.09530 51  DA  E N3    
2201 C  C4    . DA  D 11  ? 0.31183 0.41427 0.22162 -0.11476 -0.00689 -0.09403 51  DA  E C4    
2202 P  P     . DT  D 12  ? 0.46845 0.51221 0.46640 -0.13197 -0.02233 -0.16497 52  DT  E P     
2203 O  OP1   . DT  D 12  ? 0.51158 0.52213 0.53469 -0.13533 -0.00755 -0.16601 52  DT  E OP1   
2204 O  OP2   . DT  D 12  ? 0.46403 0.50913 0.44161 -0.13360 -0.04902 -0.18752 52  DT  E OP2   
2205 O  "O5'" . DT  D 12  ? 0.44396 0.49252 0.40243 -0.11684 -0.00695 -0.15868 52  DT  E "O5'" 
2206 C  "C5'" . DT  D 12  ? 0.37371 0.43181 0.34619 -0.10606 0.00871  -0.14145 52  DT  E "C5'" 
2207 C  "C4'" . DT  D 12  ? 0.48470 0.56324 0.43743 -0.09766 0.02163  -0.14803 52  DT  E "C4'" 
2208 O  "O4'" . DT  D 12  ? 0.38363 0.47663 0.31645 -0.10687 0.02222  -0.13762 52  DT  E "O4'" 
2209 C  "C3'" . DT  D 12  ? 0.38670 0.45507 0.31313 -0.09616 0.02918  -0.17452 52  DT  E "C3'" 
2210 O  "O3'" . DT  D 12  ? 0.58973 0.67564 0.53541 -0.08011 0.04412  -0.18866 52  DT  E "O3'" 
2211 C  "C2'" . DT  D 12  ? 0.47885 0.54721 0.35808 -0.10790 0.03522  -0.17414 52  DT  E "C2'" 
2212 C  "C1'" . DT  D 12  ? 0.40441 0.49495 0.30092 -0.11079 0.03864  -0.15216 52  DT  E "C1'" 
2213 N  N1    . DT  D 12  ? 0.44273 0.51736 0.29274 -0.11971 0.03650  -0.14024 52  DT  E N1    
2214 C  C2    . DT  D 12  ? 0.42741 0.50688 0.27080 -0.12544 0.05866  -0.13145 52  DT  E C2    
2215 O  O2    . DT  D 12  ? 0.38035 0.49003 0.26229 -0.12661 0.07793  -0.14081 52  DT  E O2    
2216 N  N3    . DT  D 12  ? 0.42266 0.46771 0.21615 -0.12736 0.05451  -0.11491 52  DT  E N3    
2217 C  C4    . DT  D 12  ? 0.50519 0.51963 0.25596 -0.11743 0.02512  -0.10939 52  DT  E C4    
2218 O  O4    . DT  D 12  ? 0.53870 0.51686 0.23768 -0.11124 0.01924  -0.09603 52  DT  E O4    
2219 C  C5    . DT  D 12  ? 0.50063 0.52659 0.27594 -0.11211 -0.00064 -0.12414 52  DT  E C5    
2220 C  C7    . DT  D 12  ? 0.46678 0.47435 0.21832 -0.09880 -0.03971 -0.12951 52  DT  E C7    
2221 C  C6    . DT  D 12  ? 0.44975 0.50082 0.27254 -0.11669 0.00933  -0.13694 52  DT  E C6    
2222 O  "O5'" . DA  E 1   ? 0.74662 0.53486 0.31679 0.02485  0.01044  -0.10099 20  DA  C "O5'" 
2223 C  "C5'" . DA  E 1   ? 0.80706 0.56218 0.31999 0.01977  -0.01780 -0.10600 20  DA  C "C5'" 
2224 C  "C4'" . DA  E 1   ? 0.77668 0.57072 0.30235 0.01264  -0.01004 -0.08330 20  DA  C "C4'" 
2225 O  "O4'" . DA  E 1   ? 0.78780 0.59951 0.29059 0.03457  0.03067  -0.07633 20  DA  C "O4'" 
2226 C  "C3'" . DA  E 1   ? 0.68521 0.52944 0.29532 -0.00697 -0.00806 -0.06164 20  DA  C "C3'" 
2227 O  "O3'" . DA  E 1   ? 0.68011 0.52173 0.30758 -0.02705 -0.04483 -0.05416 20  DA  C "O3'" 
2228 C  "C2'" . DA  E 1   ? 0.68047 0.55716 0.29279 -0.00130 0.02044  -0.04271 20  DA  C "C2'" 
2229 C  "C1'" . DA  E 1   ? 0.71983 0.58295 0.27909 0.02415  0.04867  -0.05138 20  DA  C "C1'" 
2230 N  N9    . DA  E 1   ? 0.69237 0.58659 0.29349 0.03215  0.08191  -0.04517 20  DA  C N9    
2231 C  C8    . DA  E 1   ? 0.68803 0.57292 0.29101 0.04596  0.09332  -0.05831 20  DA  C C8    
2232 N  N7    . DA  E 1   ? 0.64583 0.57084 0.29578 0.04947  0.12171  -0.04436 20  DA  C N7    
2233 C  C5    . DA  E 1   ? 0.61047 0.56750 0.28858 0.03510  0.12752  -0.02253 20  DA  C C5    
2234 C  C6    . DA  E 1   ? 0.57568 0.57601 0.30536 0.02714  0.14841  0.00002  20  DA  C C6    
2235 N  N6    . DA  E 1   ? 0.60163 0.62919 0.36946 0.03236  0.16749  0.00643  20  DA  C N6    
2236 N  N1    . DA  E 1   ? 0.55081 0.56340 0.29207 0.01259  0.14632  0.01732  20  DA  C N1    
2237 C  C2    . DA  E 1   ? 0.64183 0.63159 0.34852 0.00886  0.12719  0.01425  20  DA  C C2    
2238 N  N3    . DA  E 1   ? 0.62796 0.58356 0.28932 0.01427  0.10506  -0.00382 20  DA  C N3    
2239 C  C4    . DA  E 1   ? 0.67992 0.61784 0.32774 0.02628  0.10535  -0.02283 20  DA  C C4    
2240 N  N1    . BRU E 2   ? 0.51502 0.49046 0.31635 -0.03237 0.05605  0.00094  21  BRU C N1    
2241 C  C2    . BRU E 2   ? 0.54074 0.53582 0.36410 -0.03311 0.07917  0.00971  21  BRU C C2    
2242 N  N3    . BRU E 2   ? 0.46566 0.47101 0.30007 -0.02707 0.09367  0.00389  21  BRU C N3    
2243 C  C4    . BRU E 2   ? 0.48695 0.47883 0.30674 -0.01692 0.08955  -0.01248 21  BRU C C4    
2244 C  C5    . BRU E 2   ? 0.48453 0.44622 0.27484 -0.01682 0.06419  -0.02521 21  BRU C C5    
2245 C  C6    . BRU E 2   ? 0.49381 0.45155 0.27855 -0.02643 0.04681  -0.01641 21  BRU C C6    
2246 O  O2    . BRU E 2   ? 0.46663 0.46860 0.30116 -0.04018 0.08435  0.02501  21  BRU C O2    
2247 O  O4    . BRU E 2   ? 0.45880 0.46223 0.29104 -0.00825 0.10524  -0.01514 21  BRU C O4    
2248 BR BR    . BRU E 2   ? 0.59693 0.52251 0.35917 -0.00461 0.05293  -0.05014 21  BRU C BR    
2249 C  "C1'" . BRU E 2   ? 0.48547 0.45842 0.28240 -0.03849 0.04072  0.01342  21  BRU C "C1'" 
2250 C  "C2'" . BRU E 2   ? 0.45116 0.42661 0.28128 -0.04628 0.01972  0.01755  21  BRU C "C2'" 
2251 C  "C3'" . BRU E 2   ? 0.49179 0.46083 0.29963 -0.04876 -0.00157 0.02673  21  BRU C "C3'" 
2252 C  "C4'" . BRU E 2   ? 0.60539 0.55540 0.35464 -0.04145 -0.00013 0.01562  21  BRU C "C4'" 
2253 O  "O3'" . BRU E 2   ? 0.59493 0.57507 0.41043 -0.04798 0.00719  0.04672  21  BRU C "O3'" 
2254 O  "O4'" . BRU E 2   ? 0.55726 0.51211 0.30348 -0.03321 0.02895  0.00895  21  BRU C "O4'" 
2255 C  "C5'" . BRU E 2   ? 0.63172 0.55381 0.34996 -0.04323 -0.02816 -0.00135 21  BRU C "C5'" 
2256 O  "O5'" . BRU E 2   ? 0.60803 0.52415 0.34713 -0.04274 -0.02519 -0.01611 21  BRU C "O5'" 
2257 P  P     . BRU E 2   ? 0.61731 0.49426 0.32754 -0.04441 -0.05207 -0.03714 21  BRU C P     
2258 O  OP1   . BRU E 2   ? 0.61930 0.49071 0.33910 -0.06177 -0.09249 -0.02717 21  BRU C OP1   
2259 O  OP2   . BRU E 2   ? 0.57967 0.45889 0.32179 -0.04075 -0.03858 -0.04683 21  BRU C OP2   
2260 P  P     . DT  E 3   ? 0.48429 0.47876 0.34535 -0.04876 0.00679  0.06501  22  DT  C P     
2261 O  OP1   . DT  E 3   ? 0.50518 0.50199 0.35649 -0.04523 0.00714  0.08532  22  DT  C OP1   
2262 O  OP2   . DT  E 3   ? 0.46284 0.46500 0.35371 -0.05321 -0.01275 0.06539  22  DT  C OP2   
2263 O  "O5'" . DT  E 3   ? 0.43167 0.42505 0.30806 -0.04699 0.03113  0.06037  22  DT  C "O5'" 
2264 C  "C5'" . DT  E 3   ? 0.46571 0.45275 0.32828 -0.04647 0.04830  0.06661  22  DT  C "C5'" 
2265 C  "C4'" . DT  E 3   ? 0.46956 0.45364 0.34830 -0.04989 0.06256  0.06022  22  DT  C "C4'" 
2266 O  "O4'" . DT  E 3   ? 0.41779 0.40993 0.29686 -0.05184 0.06567  0.04488  22  DT  C "O4'" 
2267 C  "C3'" . DT  E 3   ? 0.39702 0.37762 0.30025 -0.04688 0.06086  0.06129  22  DT  C "C3'" 
2268 O  "O3'" . DT  E 3   ? 0.38019 0.34122 0.27823 -0.04559 0.07007  0.07045  22  DT  C "O3'" 
2269 C  "C2'" . DT  E 3   ? 0.38607 0.37380 0.30330 -0.05085 0.06255  0.04566  22  DT  C "C2'" 
2270 C  "C1'" . DT  E 3   ? 0.42856 0.42232 0.33146 -0.05515 0.07028  0.04000  22  DT  C "C1'" 
2271 N  N1    . DT  E 3   ? 0.36764 0.37178 0.27754 -0.05382 0.07052  0.02596  22  DT  C N1    
2272 C  C2    . DT  E 3   ? 0.34835 0.36310 0.26924 -0.05716 0.08233  0.02426  22  DT  C C2    
2273 O  O2    . DT  E 3   ? 0.42457 0.43999 0.35126 -0.06490 0.08948  0.03382  22  DT  C O2    
2274 N  N3    . DT  E 3   ? 0.34384 0.36767 0.27108 -0.05172 0.08395  0.01325  22  DT  C N3    
2275 C  C4    . DT  E 3   ? 0.35696 0.37254 0.27646 -0.04501 0.07334  0.00173  22  DT  C C4    
2276 O  O4    . DT  E 3   ? 0.38104 0.39887 0.30388 -0.03865 0.07624  -0.00790 22  DT  C O4    
2277 C  C5    . DT  E 3   ? 0.38294 0.38631 0.29252 -0.04641 0.05714  0.00436  22  DT  C C5    
2278 C  C7    . DT  E 3   ? 0.37782 0.36937 0.28258 -0.04488 0.03876  -0.00466 22  DT  C C7    
2279 C  C6    . DT  E 3   ? 0.35605 0.35818 0.26336 -0.04976 0.05749  0.01741  22  DT  C C6    
2280 P  P     . DA  E 4   ? 0.41264 0.35555 0.31760 -0.04060 0.07376  0.06848  23  DA  C P     
2281 O  OP1   . DA  E 4   ? 0.43634 0.34971 0.32335 -0.03409 0.07990  0.08094  23  DA  C OP1   
2282 O  OP2   . DA  E 4   ? 0.40589 0.36408 0.33046 -0.03209 0.06861  0.06752  23  DA  C OP2   
2283 O  "O5'" . DA  E 4   ? 0.41774 0.35657 0.32411 -0.05431 0.07630  0.05652  23  DA  C "O5'" 
2284 C  "C5'" . DA  E 4   ? 0.43666 0.37010 0.33543 -0.06626 0.08096  0.06129  23  DA  C "C5'" 
2285 C  "C4'" . DA  E 4   ? 0.44569 0.37751 0.35538 -0.08036 0.07971  0.05564  23  DA  C "C4'" 
2286 O  "O4'" . DA  E 4   ? 0.39530 0.36015 0.32416 -0.08127 0.08063  0.04719  23  DA  C "O4'" 
2287 C  "C3'" . DA  E 4   ? 0.42328 0.32554 0.32557 -0.07955 0.07275  0.04922  23  DA  C "C3'" 
2288 O  "O3'" . DA  E 4   ? 0.52191 0.40412 0.42234 -0.09785 0.06671  0.05163  23  DA  C "O3'" 
2289 C  "C2'" . DA  E 4   ? 0.38886 0.31662 0.30939 -0.07503 0.06994  0.03840  23  DA  C "C2'" 
2290 C  "C1'" . DA  E 4   ? 0.36296 0.32651 0.30307 -0.08244 0.07433  0.03835  23  DA  C "C1'" 
2291 N  N9    . DA  E 4   ? 0.36207 0.34956 0.31519 -0.07347 0.07421  0.02978  23  DA  C N9    
2292 C  C8    . DA  E 4   ? 0.31793 0.30761 0.26816 -0.06228 0.07128  0.02811  23  DA  C C8    
2293 N  N7    . DA  E 4   ? 0.30215 0.30797 0.26527 -0.05873 0.06871  0.02007  23  DA  C N7    
2294 C  C5    . DA  E 4   ? 0.29729 0.31537 0.27254 -0.06467 0.07326  0.01669  23  DA  C C5    
2295 C  C6    . DA  E 4   ? 0.28552 0.32153 0.27719 -0.06170 0.07512  0.00997  23  DA  C C6    
2296 N  N6    . DA  E 4   ? 0.28029 0.31708 0.27430 -0.05330 0.07093  0.00238  23  DA  C N6    
2297 N  N1    . DA  E 4   ? 0.28707 0.33941 0.29510 -0.06821 0.08010  0.01378  23  DA  C N1    
2298 C  C2    . DA  E 4   ? 0.35400 0.40229 0.36225 -0.08095 0.07970  0.02327  23  DA  C C2    
2299 N  N3    . DA  E 4   ? 0.35592 0.38002 0.34519 -0.08608 0.07687  0.02795  23  DA  C N3    
2300 C  C4    . DA  E 4   ? 0.31350 0.32410 0.28602 -0.07533 0.07548  0.02407  23  DA  C C4    
2301 N  N1    . BRU E 5   ? 0.39377 0.37631 0.37113 -0.08447 0.05381  0.01704  24  BRU C N1    
2302 C  C2    . BRU E 5   ? 0.36832 0.38355 0.37154 -0.07992 0.05679  0.01409  24  BRU C C2    
2303 N  N3    . BRU E 5   ? 0.33287 0.35517 0.34003 -0.06678 0.06028  0.01029  24  BRU C N3    
2304 C  C4    . BRU E 5   ? 0.31152 0.31822 0.30440 -0.05836 0.06075  0.01239  24  BRU C C4    
2305 C  C5    . BRU E 5   ? 0.30125 0.27979 0.26931 -0.05922 0.06110  0.01727  24  BRU C C5    
2306 C  C6    . BRU E 5   ? 0.33741 0.30016 0.29517 -0.07227 0.05751  0.01780  24  BRU C C6    
2307 O  O2    . BRU E 5   ? 0.34891 0.38641 0.37381 -0.08864 0.05541  0.01723  24  BRU C O2    
2308 O  O4    . BRU E 5   ? 0.31147 0.32623 0.31352 -0.04992 0.06000  0.01249  24  BRU C O4    
2309 BR BR    . BRU E 5   ? 0.42467 0.38943 0.37994 -0.04258 0.06505  0.02705  24  BRU C BR    
2310 C  "C1'" . BRU E 5   ? 0.39563 0.36509 0.37023 -0.10310 0.04541  0.02209  24  BRU C "C1'" 
2311 C  "C2'" . BRU E 5   ? 0.38252 0.30710 0.32505 -0.10485 0.03207  0.01721  24  BRU C "C2'" 
2312 C  "C3'" . BRU E 5   ? 0.44210 0.33492 0.36941 -0.12163 0.02544  0.02353  24  BRU C "C3'" 
2313 C  "C4'" . BRU E 5   ? 0.51722 0.44415 0.47054 -0.12596 0.03887  0.03442  24  BRU C "C4'" 
2314 O  "O3'" . BRU E 5   ? 0.54041 0.42734 0.47565 -0.14495 0.00591  0.02657  24  BRU C "O3'" 
2315 O  "O4'" . BRU E 5   ? 0.44614 0.40503 0.41182 -0.10834 0.05127  0.02973  24  BRU C "O4'" 
2316 C  "C5'" . BRU E 5   ? 0.48843 0.38402 0.41923 -0.12671 0.04336  0.04134  24  BRU C "C5'" 
2317 O  "O5'" . BRU E 5   ? 0.45771 0.31831 0.35495 -0.10688 0.04637  0.03467  24  BRU C "O5'" 
2318 P  P     . BRU E 5   ? 0.55027 0.38406 0.42640 -0.10023 0.05456  0.04395  24  BRU C P     
2319 O  OP1   . BRU E 5   ? 0.55169 0.35312 0.42030 -0.12221 0.04514  0.05186  24  BRU C OP1   
2320 O  OP2   . BRU E 5   ? 0.52918 0.33750 0.37876 -0.07461 0.06043  0.04102  24  BRU C OP2   
2321 P  P     . DA  E 6   ? 0.65622 0.49821 0.55407 -0.14626 -0.01542 0.01526  25  DA  C P     
2322 O  OP1   . DA  E 6   ? 0.62297 0.44249 0.52183 -0.17753 -0.04064 0.02184  25  DA  C OP1   
2323 O  OP2   . DA  E 6   ? 0.62125 0.41754 0.46954 -0.12008 -0.00632 0.00531  25  DA  C OP2   
2324 O  "O5'" . DA  E 6   ? 0.58861 0.47789 0.51622 -0.14058 -0.01603 0.01360  25  DA  C "O5'" 
2325 C  "C5'" . DA  E 6   ? 0.52859 0.47288 0.50955 -0.15606 -0.01788 0.02568  25  DA  C "C5'" 
2326 C  "C4'" . DA  E 6   ? 0.41167 0.39558 0.41591 -0.14127 -0.01155 0.02325  25  DA  C "C4'" 
2327 O  "O4'" . DA  E 6   ? 0.38388 0.38229 0.39159 -0.11903 0.01132  0.01877  25  DA  C "O4'" 
2328 C  "C3'" . DA  E 6   ? 0.50455 0.46143 0.47625 -0.13286 -0.02548 0.01356  25  DA  C "C3'" 
2329 O  "O3'" . DA  E 6   ? 0.51851 0.50641 0.51896 -0.14499 -0.04153 0.02083  25  DA  C "O3'" 
2330 C  "C2'" . DA  E 6   ? 0.44477 0.41064 0.41277 -0.10462 -0.00499 0.00784  25  DA  C "C2'" 
2331 C  "C1'" . DA  E 6   ? 0.38463 0.39158 0.39273 -0.10321 0.01257  0.01336  25  DA  C "C1'" 
2332 N  N9    . DA  E 6   ? 0.42306 0.42938 0.42590 -0.08359 0.02866  0.00939  25  DA  C N9    
2333 C  C8    . DA  E 6   ? 0.40665 0.38393 0.38163 -0.07452 0.03480  0.00765  25  DA  C C8    
2334 N  N7    . DA  E 6   ? 0.33196 0.32162 0.31635 -0.06013 0.04512  0.00852  25  DA  C N7    
2335 C  C5    . DA  E 6   ? 0.34459 0.36599 0.35961 -0.05951 0.04580  0.00794  25  DA  C C5    
2336 C  C6    . DA  E 6   ? 0.26180 0.30097 0.29705 -0.04964 0.05102  0.00782  25  DA  C C6    
2337 N  N6    . DA  E 6   ? 0.28026 0.31363 0.31298 -0.04147 0.05408  0.01049  25  DA  C N6    
2338 N  N1    . DA  E 6   ? 0.26625 0.32793 0.32603 -0.04917 0.05095  0.00685  25  DA  C N1    
2339 C  C2    . DA  E 6   ? 0.29463 0.36932 0.36418 -0.05785 0.04653  0.00904  25  DA  C C2    
2340 N  N3    . DA  E 6   ? 0.27078 0.33588 0.32838 -0.07115 0.03821  0.01139  25  DA  C N3    
2341 C  C4    . DA  E 6   ? 0.35758 0.39148 0.38473 -0.07154 0.03792  0.00906  25  DA  C C4    
2342 P  P     . DC  E 7   ? 0.52398 0.48685 0.48968 -0.14059 -0.06178 0.01391  26  DC  C P     
2343 O  OP1   . DC  E 7   ? 0.57482 0.56314 0.57063 -0.16560 -0.08797 0.02590  26  DC  C OP1   
2344 O  OP2   . DC  E 7   ? 0.53953 0.43272 0.43538 -0.13079 -0.06579 0.00025  26  DC  C OP2   
2345 O  "O5'" . DC  E 7   ? 0.53818 0.53573 0.52338 -0.11437 -0.04202 0.01375  26  DC  C "O5'" 
2346 C  "C5'" . DC  E 7   ? 0.40799 0.46151 0.45030 -0.11208 -0.02757 0.02304  26  DC  C "C5'" 
2347 C  "C4'" . DC  E 7   ? 0.37453 0.44057 0.42350 -0.08707 -0.00912 0.02000  26  DC  C "C4'" 
2348 O  "O4'" . DC  E 7   ? 0.34451 0.38989 0.37533 -0.07556 0.00680  0.01350  26  DC  C "O4'" 
2349 C  "C3'" . DC  E 7   ? 0.38246 0.43437 0.40627 -0.07367 -0.01596 0.01869  26  DC  C "C3'" 
2350 O  "O3'" . DC  E 7   ? 0.46545 0.55375 0.52254 -0.07509 -0.02351 0.02797  26  DC  C "O3'" 
2351 C  "C2'" . DC  E 7   ? 0.37601 0.42434 0.39765 -0.05167 0.00484  0.01704  26  DC  C "C2'" 
2352 C  "C1'" . DC  E 7   ? 0.41989 0.47382 0.45760 -0.05661 0.01688  0.01424  26  DC  C "C1'" 
2353 N  N1    . DC  E 7   ? 0.39334 0.42616 0.41192 -0.04434 0.02874  0.01221  26  DC  C N1    
2354 C  C2    . DC  E 7   ? 0.29529 0.34381 0.33674 -0.03265 0.03902  0.01592  26  DC  C C2    
2355 O  O2    . DC  E 7   ? 0.29779 0.36968 0.36855 -0.03111 0.03937  0.01795  26  DC  C O2    
2356 N  N3    . DC  E 7   ? 0.30130 0.33805 0.33400 -0.02383 0.04667  0.01921  26  DC  C N3    
2357 C  C4    . DC  E 7   ? 0.32835 0.33838 0.32876 -0.02212 0.04823  0.01845  26  DC  C C4    
2358 N  N4    . DC  E 7   ? 0.31028 0.31572 0.30891 -0.01135 0.05672  0.02620  26  DC  C N4    
2359 C  C5    . DC  E 7   ? 0.32613 0.31130 0.29615 -0.03197 0.03926  0.01173  26  DC  C C5    
2360 C  C6    . DC  E 7   ? 0.35770 0.35547 0.33901 -0.04499 0.02775  0.00901  26  DC  C C6    
2361 P  P     . DA  E 8   ? 0.59560 0.86445 0.48522 -0.04711 -0.11487 -0.12465 27  DA  C P     
2362 O  OP1   . DA  E 8   ? 0.56267 0.95127 0.52714 -0.02421 -0.14463 -0.09889 27  DA  C OP1   
2363 O  OP2   . DA  E 8   ? 0.53915 0.79949 0.37477 -0.09775 -0.09304 -0.15231 27  DA  C OP2   
2364 O  "O5'" . DA  E 8   ? 0.51892 0.71780 0.38693 -0.01033 -0.12683 -0.07417 27  DA  C "O5'" 
2365 C  "C5'" . DA  E 8   ? 0.47644 0.63186 0.39120 0.03987  -0.12708 -0.03875 27  DA  C "C5'" 
2366 C  "C4'" . DA  E 8   ? 0.53319 0.62462 0.41559 0.05964  -0.13078 0.00044  27  DA  C "C4'" 
2367 O  "O4'" . DA  E 8   ? 0.55542 0.54348 0.40273 0.04746  -0.10483 -0.02574 27  DA  C "O4'" 
2368 C  "C3'" . DA  E 8   ? 0.60341 0.74282 0.43451 0.04067  -0.15318 0.02184  27  DA  C "C3'" 
2369 O  "O3'" . DA  E 8   ? 0.67091 0.79532 0.50587 0.07862  -0.16380 0.07985  27  DA  C "O3'" 
2370 C  "C2'" . DA  E 8   ? 0.52140 0.58394 0.29483 0.00737  -0.12921 -0.01229 27  DA  C "C2'" 
2371 C  "C1'" . DA  E 8   ? 0.50631 0.47513 0.30211 0.03101  -0.10767 -0.01706 27  DA  C "C1'" 
2372 N  N9    . DA  E 8   ? 0.55110 0.45939 0.31733 0.00994  -0.08394 -0.05203 27  DA  C N9    
2373 C  C8    . DA  E 8   ? 0.48124 0.39496 0.22570 -0.01855 -0.06622 -0.08975 27  DA  C C8    
2374 N  N7    . DA  E 8   ? 0.47771 0.35663 0.24172 -0.01860 -0.03804 -0.09429 27  DA  C N7    
2375 C  C5    . DA  E 8   ? 0.53011 0.35709 0.28176 -0.00045 -0.04952 -0.07519 27  DA  C C5    
2376 C  C6    . DA  E 8   ? 0.48488 0.28688 0.25534 0.00383  -0.03705 -0.06687 27  DA  C C6    
2377 N  N6    . DA  E 8   ? 0.41123 0.23184 0.20846 -0.00059 -0.01782 -0.06967 27  DA  C N6    
2378 N  N1    . DA  E 8   ? 0.48302 0.24159 0.23803 0.01379  -0.04818 -0.05656 27  DA  C N1    
2379 C  C2    . DA  E 8   ? 0.54559 0.30076 0.30252 0.02669  -0.05994 -0.03784 27  DA  C C2    
2380 N  N3    . DA  E 8   ? 0.52244 0.32451 0.29055 0.03444  -0.07238 -0.02556 27  DA  C N3    
2381 C  C4    . DA  E 8   ? 0.52752 0.36636 0.28507 0.01668  -0.07159 -0.05034 27  DA  C C4    
2382 P  P     . DA  E 9   ? 0.77549 0.98292 0.57486 0.07889  -0.19694 0.12726  28  DA  C P     
2383 O  OP1   . DA  E 9   ? 0.81776 1.12045 0.68180 0.11818  -0.22112 0.16941  28  DA  C OP1   
2384 O  OP2   . DA  E 9   ? 0.77600 1.00993 0.51497 0.01928  -0.19748 0.08581  28  DA  C OP2   
2385 O  "O5'" . DA  E 9   ? 0.78201 0.88919 0.55056 0.10390  -0.18035 0.16802  28  DA  C "O5'" 
2386 C  "C5'" . DA  E 9   ? 0.66275 0.66752 0.46492 0.13158  -0.14821 0.16894  28  DA  C "C5'" 
2387 C  "C4'" . DA  E 9   ? 0.62161 0.52755 0.37615 0.11179  -0.12294 0.15698  28  DA  C "C4'" 
2388 O  "O4'" . DA  E 9   ? 0.71787 0.59809 0.46242 0.07529  -0.11158 0.09839  28  DA  C "O4'" 
2389 C  "C3'" . DA  E 9   ? 0.74937 0.66393 0.43817 0.09483  -0.13146 0.18171  28  DA  C "C3'" 
2390 O  "O3'" . DA  E 9   ? 0.88694 0.70733 0.56007 0.10640  -0.10200 0.20286  28  DA  C "O3'" 
2391 C  "C2'" . DA  E 9   ? 0.71356 0.63428 0.36743 0.04370  -0.12783 0.12693  28  DA  C "C2'" 
2392 C  "C1'" . DA  E 9   ? 0.63873 0.49920 0.33104 0.04507  -0.10562 0.08919  28  DA  C "C1'" 
2393 N  N9    . DA  E 9   ? 0.55775 0.42394 0.24048 0.01298  -0.09756 0.04013  28  DA  C N9    
2394 C  C8    . DA  E 9   ? 0.56431 0.48929 0.23467 -0.01142 -0.10427 0.01498  28  DA  C C8    
2395 N  N7    . DA  E 9   ? 0.57809 0.47498 0.23993 -0.03279 -0.08142 -0.02401 28  DA  C N7    
2396 C  C5    . DA  E 9   ? 0.58032 0.41348 0.25408 -0.01977 -0.06799 -0.02112 28  DA  C C5    
2397 C  C6    . DA  E 9   ? 0.55383 0.35052 0.23611 -0.02452 -0.04612 -0.04281 28  DA  C C6    
2398 N  N6    . DA  E 9   ? 0.57019 0.39306 0.28424 -0.03335 -0.02295 -0.06082 28  DA  C N6    
2399 N  N1    . DA  E 9   ? 0.59004 0.34893 0.28442 -0.01505 -0.04332 -0.03533 28  DA  C N1    
2400 C  C2    . DA  E 9   ? 0.53259 0.27518 0.23254 -0.00419 -0.05030 -0.01116 28  DA  C C2    
2401 N  N3    . DA  E 9   ? 0.55882 0.31721 0.25409 0.00876  -0.06284 0.01664  28  DA  C N3    
2402 C  C4    . DA  E 9   ? 0.52265 0.33590 0.20720 0.00209  -0.07627 0.01248  28  DA  C C4    
2403 P  P     . DA  E 10  ? 0.85925 0.67032 0.48367 0.10374  -0.09803 0.24684  29  DA  C P     
2404 O  OP1   . DA  E 10  ? 0.89916 0.71244 0.56199 0.14404  -0.09880 0.29683  29  DA  C OP1   
2405 O  OP2   . DA  E 10  ? 0.89182 0.77550 0.46581 0.06574  -0.11866 0.23371  29  DA  C OP2   
2406 O  "O5'" . DA  E 10  ? 0.97694 0.67684 0.58330 0.08681  -0.05487 0.22509  29  DA  C "O5'" 
2407 C  "C5'" . DA  E 10  ? 0.80890 0.44708 0.45298 0.08874  -0.03151 0.19357  29  DA  C "C5'" 
2408 C  "C4'" . DA  E 10  ? 0.74289 0.33487 0.37470 0.04844  -0.00794 0.15050  29  DA  C "C4'" 
2409 O  "O4'" . DA  E 10  ? 0.68122 0.32313 0.32357 0.02374  -0.02585 0.10594  29  DA  C "O4'" 
2410 C  "C3'" . DA  E 10  ? 0.79835 0.35916 0.37787 0.02822  0.00945  0.16469  29  DA  C "C3'" 
2411 O  "O3'" . DA  E 10  ? 0.88619 0.38007 0.47662 0.00677  0.04765  0.14024  29  DA  C "O3'" 
2412 C  "C2'" . DA  E 10  ? 0.75457 0.37503 0.31240 -0.00244 -0.01020 0.13676  29  DA  C "C2'" 
2413 C  "C1'" . DA  E 10  ? 0.74528 0.39356 0.35275 -0.00633 -0.01994 0.09383  29  DA  C "C1'" 
2414 N  N9    . DA  E 10  ? 0.66662 0.37576 0.26578 -0.01951 -0.03900 0.07341  29  DA  C N9    
2415 C  C8    . DA  E 10  ? 0.64943 0.41609 0.22357 -0.01841 -0.06257 0.08860  29  DA  C C8    
2416 N  N7    . DA  E 10  ? 0.61717 0.42226 0.18621 -0.04164 -0.06471 0.05480  29  DA  C N7    
2417 C  C5    . DA  E 10  ? 0.60107 0.36899 0.19627 -0.04852 -0.04224 0.02393  29  DA  C C5    
2418 C  C6    . DA  E 10  ? 0.63164 0.40388 0.23612 -0.06341 -0.02575 -0.01162 29  DA  C C6    
2419 N  N6    . DA  E 10  ? 0.58234 0.40029 0.19790 -0.07725 -0.01965 -0.02914 29  DA  C N6    
2420 N  N1    . DA  E 10  ? 0.58627 0.33136 0.22332 -0.05797 -0.00975 -0.02438 29  DA  C N1    
2421 C  C2    . DA  E 10  ? 0.64041 0.36065 0.29716 -0.04964 -0.01035 -0.01262 29  DA  C C2    
2422 N  N3    . DA  E 10  ? 0.58961 0.28841 0.23611 -0.04216 -0.01600 0.01246  29  DA  C N3    
2423 C  C4    . DA  E 10  ? 0.62413 0.34502 0.24013 -0.03676 -0.03173 0.03434  29  DA  C C4    
2424 P  P     . DA  E 11  ? 0.90139 0.36102 0.46092 -0.02228 0.07876  0.13703  30  DA  C P     
2425 O  OP1   . DA  E 11  ? 0.95549 0.36316 0.54497 -0.02925 0.11884  0.12211  30  DA  C OP1   
2426 O  OP2   . DA  E 11  ? 0.91209 0.39576 0.42633 -0.01300 0.06744  0.17550  30  DA  C OP2   
2427 O  "O5'" . DA  E 11  ? 0.83504 0.32947 0.40782 -0.05894 0.07419  0.08980  30  DA  C "O5'" 
2428 C  "C5'" . DA  E 11  ? 0.77731 0.29300 0.40437 -0.06809 0.07091  0.05065  30  DA  C "C5'" 
2429 C  "C4'" . DA  E 11  ? 0.82647 0.39256 0.47615 -0.09068 0.06744  0.01860  30  DA  C "C4'" 
2430 O  "O4'" . DA  E 11  ? 0.75377 0.36550 0.39547 -0.07874 0.04211  0.01933  30  DA  C "O4'" 
2431 C  "C3'" . DA  E 11  ? 0.71941 0.26882 0.35019 -0.11761 0.09711  0.01585  30  DA  C "C3'" 
2432 O  "O3'" . DA  E 11  ? 0.76164 0.34557 0.44670 -0.13910 0.10893  -0.01792 30  DA  C "O3'" 
2433 C  "C2'" . DA  E 11  ? 0.71682 0.29141 0.31041 -0.11681 0.08673  0.02487  30  DA  C "C2'" 
2434 C  "C1'" . DA  E 11  ? 0.67837 0.30145 0.30067 -0.09821 0.05678  0.01286  30  DA  C "C1'" 
2435 N  N9    . DA  E 11  ? 0.70410 0.35007 0.28536 -0.09495 0.04070  0.02281  30  DA  C N9    
2436 C  C8    . DA  E 11  ? 0.70416 0.34902 0.23483 -0.08828 0.02566  0.05443  30  DA  C C8    
2437 N  N7    . DA  E 11  ? 0.70144 0.38958 0.20440 -0.09663 0.01069  0.04989  30  DA  C N7    
2438 C  C5    . DA  E 11  ? 0.67862 0.37862 0.21410 -0.10677 0.02490  0.01309  30  DA  C C5    
2439 C  C6    . DA  E 11  ? 0.65745 0.39176 0.19960 -0.11925 0.03041  -0.01186 30  DA  C C6    
2440 N  N6    . DA  E 11  ? 0.64307 0.42649 0.17672 -0.12876 0.01694  -0.01064 30  DA  C N6    
2441 N  N1    . DA  E 11  ? 0.63954 0.36481 0.21742 -0.11771 0.05388  -0.03603 30  DA  C N1    
2442 C  C2    . DA  E 11  ? 0.63889 0.34697 0.25509 -0.10459 0.06134  -0.03659 30  DA  C C2    
2443 N  N3    . DA  E 11  ? 0.63616 0.32950 0.26650 -0.09919 0.05344  -0.02230 30  DA  C N3    
2444 C  C4    . DA  E 11  ? 0.67014 0.34962 0.25614 -0.10051 0.03984  0.00156  30  DA  C C4    
2445 P  P     . DG  E 12  ? 0.80883 0.39068 0.50314 -0.17087 0.14606  -0.03199 31  DG  C P     
2446 O  OP1   . DG  E 12  ? 0.77101 0.38045 0.52275 -0.19430 0.15795  -0.06143 31  DG  C OP1   
2447 O  OP2   . DG  E 12  ? 0.89236 0.40688 0.51645 -0.17921 0.17092  -0.00702 31  DG  C OP2   
2448 O  "O5'" . DG  E 12  ? 0.80566 0.44337 0.52595 -0.16479 0.14095  -0.04155 31  DG  C "O5'" 
2449 C  "C5'" . DG  E 12  ? 0.64602 0.34273 0.41560 -0.14452 0.11576  -0.05146 31  DG  C "C5'" 
2450 C  "C4'" . DG  E 12  ? 0.61578 0.33939 0.40107 -0.13711 0.13021  -0.05490 31  DG  C "C4'" 
2451 O  "O4'" . DG  E 12  ? 0.66989 0.36721 0.39647 -0.12901 0.12190  -0.04508 31  DG  C "O4'" 
2452 C  "C3'" . DG  E 12  ? 0.73463 0.44733 0.52625 -0.16112 0.17449  -0.06220 31  DG  C "C3'" 
2453 O  "O3'" . DG  E 12  ? 0.71684 0.48228 0.57839 -0.14836 0.19256  -0.07012 31  DG  C "O3'" 
2454 C  "C2'" . DG  E 12  ? 0.77693 0.43527 0.48253 -0.17277 0.18668  -0.05237 31  DG  C "C2'" 
2455 C  "C1'" . DG  E 12  ? 0.77065 0.44537 0.46354 -0.14923 0.15684  -0.04853 31  DG  C "C1'" 
2456 N  N9    . DG  E 12  ? 0.71966 0.36824 0.33164 -0.15808 0.14430  -0.03687 31  DG  C N9    
2457 C  C8    . DG  E 12  ? 0.77290 0.39500 0.33064 -0.16194 0.12753  -0.01361 31  DG  C C8    
2458 N  N7    . DG  E 12  ? 0.74373 0.37189 0.23984 -0.16763 0.11199  -0.00270 31  DG  C N7    
2459 C  C5    . DG  E 12  ? 0.71261 0.36800 0.23282 -0.17229 0.12127  -0.02852 31  DG  C C5    
2460 C  C6    . DG  E 12  ? 0.71458 0.40418 0.22851 -0.18137 0.10921  -0.03645 31  DG  C C6    
2461 O  O6    . DG  E 12  ? 0.79386 0.51328 0.27643 -0.18646 0.08319  -0.02255 31  DG  C O6    
2462 N  N1    . DG  E 12  ? 0.72961 0.42216 0.28262 -0.18403 0.13536  -0.06028 31  DG  C N1    
2463 C  C2    . DG  E 12  ? 0.69549 0.37054 0.29111 -0.17004 0.16580  -0.07002 31  DG  C C2    
2464 N  N2    . DG  E 12  ? 0.66689 0.34163 0.29802 -0.16636 0.19154  -0.08327 31  DG  C N2    
2465 N  N3    . DG  E 12  ? 0.71745 0.38165 0.32505 -0.16009 0.17376  -0.06442 31  DG  C N3    
2466 C  C4    . DG  E 12  ? 0.71505 0.36980 0.29185 -0.16454 0.14789  -0.04536 31  DG  C C4    
2467 O  "O5'" . DC  F 1   ? 0.96804 0.73117 0.48333 -0.15987 0.08689  -0.19451 41  DC  F "O5'" 
2468 C  "C5'" . DC  F 1   ? 0.87389 0.63264 0.37505 -0.15784 0.10644  -0.21444 41  DC  F "C5'" 
2469 C  "C4'" . DC  F 1   ? 0.85187 0.60820 0.37354 -0.14154 0.12706  -0.21045 41  DC  F "C4'" 
2470 O  "O4'" . DC  F 1   ? 0.84831 0.62595 0.34830 -0.14547 0.12845  -0.19109 41  DC  F "O4'" 
2471 C  "C3'" . DC  F 1   ? 0.79802 0.53976 0.36367 -0.12593 0.12633  -0.20013 41  DC  F "C3'" 
2472 O  "O3'" . DC  F 1   ? 0.81435 0.54421 0.40754 -0.10840 0.14413  -0.21409 41  DC  F "O3'" 
2473 C  "C2'" . DC  F 1   ? 0.76177 0.51967 0.32669 -0.12487 0.12290  -0.17506 41  DC  F "C2'" 
2474 C  "C1'" . DC  F 1   ? 0.79958 0.57592 0.32944 -0.13347 0.13343  -0.17503 41  DC  F "C1'" 
2475 N  N1    . DC  F 1   ? 0.80958 0.60045 0.31839 -0.14049 0.12256  -0.14825 41  DC  F N1    
2476 C  C2    . DC  F 1   ? 0.82093 0.61601 0.34380 -0.13387 0.13411  -0.13303 41  DC  F C2    
2477 O  O2    . DC  F 1   ? 0.80356 0.59609 0.35828 -0.12222 0.15285  -0.14391 41  DC  F O2    
2478 N  N3    . DC  F 1   ? 0.79819 0.60091 0.30187 -0.13948 0.12342  -0.10641 41  DC  F N3    
2479 C  C4    . DC  F 1   ? 0.78055 0.58997 0.25435 -0.14818 0.09998  -0.09453 41  DC  F C4    
2480 N  N4    . DC  F 1   ? 0.84297 0.65780 0.30134 -0.14960 0.08791  -0.06566 41  DC  F N4    
2481 C  C5    . DC  F 1   ? 0.81146 0.62308 0.27342 -0.15478 0.08707  -0.11160 41  DC  F C5    
2482 C  C6    . DC  F 1   ? 0.82084 0.62126 0.30024 -0.15210 0.09998  -0.13830 41  DC  F C6    
2483 N  N1    . BRU F 2   ? 0.63489 0.39870 0.27325 -0.09417 0.12332  -0.12347 42  BRU F N1    
2484 C  C2    . BRU F 2   ? 0.63404 0.40734 0.26240 -0.09787 0.12253  -0.10385 42  BRU F C2    
2485 N  N3    . BRU F 2   ? 0.62218 0.40003 0.21890 -0.10966 0.10506  -0.08634 42  BRU F N3    
2486 C  C4    . BRU F 2   ? 0.64467 0.42420 0.22166 -0.11907 0.08764  -0.09002 42  BRU F C4    
2487 C  C5    . BRU F 2   ? 0.70879 0.47913 0.29587 -0.11899 0.09103  -0.11343 42  BRU F C5    
2488 C  C6    . BRU F 2   ? 0.66128 0.42101 0.27764 -0.10572 0.10938  -0.12801 42  BRU F C6    
2489 O  O2    . BRU F 2   ? 0.59273 0.37176 0.24546 -0.08903 0.13735  -0.10186 42  BRU F O2    
2490 O  O4    . BRU F 2   ? 0.66263 0.45246 0.21651 -0.12680 0.06795  -0.07323 42  BRU F O4    
2491 BR BR    . BRU F 2   ? 1.09293 0.86872 0.65818 -0.13542 0.06942  -0.12255 42  BRU F BR    
2492 C  "C1'" . BRU F 2   ? 0.61749 0.37821 0.29219 -0.07701 0.13859  -0.13829 42  BRU F "C1'" 
2493 C  "C2'" . BRU F 2   ? 0.60832 0.35232 0.31576 -0.06241 0.12896  -0.14005 42  BRU F "C2'" 
2494 C  "C3'" . BRU F 2   ? 0.61912 0.35688 0.34268 -0.04995 0.14042  -0.15948 42  BRU F "C3'" 
2495 C  "C4'" . BRU F 2   ? 0.65889 0.40940 0.35379 -0.06176 0.15495  -0.17171 42  BRU F "C4'" 
2496 O  "O3'" . BRU F 2   ? 0.59844 0.34644 0.36142 -0.02866 0.14823  -0.16122 42  BRU F "O3'" 
2497 O  "O4'" . BRU F 2   ? 0.66011 0.42062 0.32074 -0.08045 0.14906  -0.15730 42  BRU F "O4'" 
2498 C  "C5'" . BRU F 2   ? 0.77975 0.51578 0.45894 -0.06546 0.15703  -0.19214 42  BRU F "C5'" 
2499 O  "O5'" . BRU F 2   ? 0.73299 0.45538 0.39103 -0.08022 0.14045  -0.18876 42  BRU F "O5'" 
2500 P  P     . BRU F 2   ? 0.76673 0.47437 0.40365 -0.08991 0.14083  -0.21063 42  BRU F P     
2501 O  OP1   . BRU F 2   ? 0.79207 0.48806 0.44931 -0.07183 0.15594  -0.23049 42  BRU F OP1   
2502 O  OP2   . BRU F 2   ? 0.76247 0.45557 0.39641 -0.10135 0.12278  -0.20532 42  BRU F OP2   
2503 P  P     . DT  F 3   ? 0.58397 0.32913 0.38253 -0.01137 0.13537  -0.14756 43  DT  F P     
2504 O  OP1   . DT  F 3   ? 0.60450 0.35858 0.43848 0.01216  0.14130  -0.15797 43  DT  F OP1   
2505 O  OP2   . DT  F 3   ? 0.65084 0.37280 0.43964 -0.01708 0.11909  -0.13875 43  DT  F OP2   
2506 O  "O5'" . DT  F 3   ? 0.55378 0.31858 0.35504 -0.01744 0.13657  -0.13335 43  DT  F "O5'" 
2507 C  "C5'" . DT  F 3   ? 0.54595 0.33464 0.35387 -0.01927 0.15402  -0.13801 43  DT  F "C5'" 
2508 C  "C4'" . DT  F 3   ? 0.55794 0.35575 0.36375 -0.02786 0.15402  -0.12292 43  DT  F "C4'" 
2509 O  "O4'" . DT  F 3   ? 0.51531 0.30018 0.27517 -0.04734 0.14566  -0.11197 43  DT  F "O4'" 
2510 C  "C3'" . DT  F 3   ? 0.45850 0.25687 0.29764 -0.01377 0.13984  -0.11281 43  DT  F "C3'" 
2511 O  "O3'" . DT  F 3   ? 0.44660 0.27268 0.31648 -0.01214 0.14594  -0.10751 43  DT  F "O3'" 
2512 C  "C2'" . DT  F 3   ? 0.47276 0.25996 0.28904 -0.02548 0.11936  -0.09482 43  DT  F "C2'" 
2513 C  "C1'" . DT  F 3   ? 0.48521 0.27568 0.26297 -0.04524 0.12547  -0.09046 43  DT  F "C1'" 
2514 N  N1    . DT  F 3   ? 0.53907 0.32012 0.28357 -0.05850 0.10762  -0.08045 43  DT  F N1    
2515 C  C2    . DT  F 3   ? 0.49432 0.28550 0.22767 -0.06721 0.09654  -0.05979 43  DT  F C2    
2516 O  O2    . DT  F 3   ? 0.53992 0.34131 0.28786 -0.06623 0.10158  -0.04822 43  DT  F O2    
2517 N  N3    . DT  F 3   ? 0.53978 0.32821 0.24667 -0.07693 0.07856  -0.05354 43  DT  F N3    
2518 C  C4    . DT  F 3   ? 0.55162 0.32925 0.24262 -0.08279 0.07232  -0.06731 43  DT  F C4    
2519 O  O4    . DT  F 3   ? 0.54662 0.32927 0.21854 -0.09307 0.05520  -0.06262 43  DT  F O4    
2520 C  C5    . DT  F 3   ? 0.55616 0.31606 0.25696 -0.07571 0.08668  -0.08821 43  DT  F C5    
2521 C  C7    . DT  F 3   ? 0.59116 0.33215 0.27853 -0.08304 0.08235  -0.10339 43  DT  F C7    
2522 C  C6    . DT  F 3   ? 0.50986 0.27213 0.23644 -0.06206 0.10270  -0.09305 43  DT  F C6    
2523 P  P     . DT  F 4   ? 0.45546 0.29721 0.37102 0.00366  0.13205  -0.10040 44  DT  F P     
2524 O  OP1   . DT  F 4   ? 0.43220 0.30339 0.38563 0.01155  0.14792  -0.11421 44  DT  F OP1   
2525 O  OP2   . DT  F 4   ? 0.46532 0.28706 0.38049 0.01682  0.11562  -0.09846 44  DT  F OP2   
2526 O  "O5'" . DT  F 4   ? 0.41818 0.26550 0.32989 -0.01017 0.12118  -0.07942 44  DT  F "O5'" 
2527 C  "C5'" . DT  F 4   ? 0.46040 0.31419 0.35869 -0.02730 0.13402  -0.07315 44  DT  F "C5'" 
2528 C  "C4'" . DT  F 4   ? 0.38682 0.23228 0.27145 -0.03728 0.11889  -0.05090 44  DT  F "C4'" 
2529 O  "O4'" . DT  F 4   ? 0.45408 0.28190 0.30165 -0.04180 0.10564  -0.04444 44  DT  F "O4'" 
2530 C  "C3'" . DT  F 4   ? 0.43975 0.29336 0.36010 -0.02769 0.10295  -0.04424 44  DT  F "C3'" 
2531 O  "O3'" . DT  F 4   ? 0.41407 0.26850 0.34026 -0.03810 0.10511  -0.03158 44  DT  F "O3'" 
2532 C  "C2'" . DT  F 4   ? 0.39985 0.24047 0.30279 -0.02446 0.08279  -0.03639 44  DT  F "C2'" 
2533 C  "C1'" . DT  F 4   ? 0.39772 0.22478 0.25557 -0.03842 0.08506  -0.03055 44  DT  F "C1'" 
2534 N  N1    . DT  F 4   ? 0.44119 0.25798 0.27558 -0.03991 0.07188  -0.03132 44  DT  F N1    
2535 C  C2    . DT  F 4   ? 0.40858 0.22330 0.21969 -0.04852 0.05782  -0.01796 44  DT  F C2    
2536 O  O2    . DT  F 4   ? 0.44677 0.26273 0.25428 -0.05213 0.05416  -0.00274 44  DT  F O2    
2537 N  N3    . DT  F 4   ? 0.43535 0.24604 0.22961 -0.05244 0.04718  -0.02278 44  DT  F N3    
2538 C  C4    . DT  F 4   ? 0.42867 0.22945 0.22322 -0.05035 0.05104  -0.03794 44  DT  F C4    
2539 O  O4    . DT  F 4   ? 0.49685 0.29253 0.27629 -0.05802 0.04235  -0.04210 44  DT  F O4    
2540 C  C5    . DT  F 4   ? 0.46691 0.26353 0.28248 -0.03854 0.06541  -0.04862 44  DT  F C5    
2541 C  C7    . DT  F 4   ? 0.46115 0.23966 0.27724 -0.03229 0.06924  -0.06226 44  DT  F C7    
2542 C  C6    . DT  F 4   ? 0.41321 0.22185 0.24891 -0.03340 0.07441  -0.04578 44  DT  F C6    
2543 P  P     . DT  F 5   ? 0.40481 0.26804 0.37045 -0.03247 0.09434  -0.02814 45  DT  F P     
2544 O  OP1   . DT  F 5   ? 0.38227 0.24472 0.35620 -0.04697 0.10886  -0.02258 45  DT  F OP1   
2545 O  OP2   . DT  F 5   ? 0.40975 0.29116 0.40706 -0.01641 0.08836  -0.04311 45  DT  F OP2   
2546 O  "O5'" . DT  F 5   ? 0.40635 0.25387 0.35420 -0.03150 0.07411  -0.01161 45  DT  F "O5'" 
2547 C  "C5'" . DT  F 5   ? 0.44154 0.27111 0.35636 -0.04260 0.07285  0.00615  45  DT  F "C5'" 
2548 C  "C4'" . DT  F 5   ? 0.42643 0.25031 0.33201 -0.03670 0.05061  0.01736  45  DT  F "C4'" 
2549 O  "O4'" . DT  F 5   ? 0.40234 0.22969 0.28669 -0.03534 0.04447  0.01069  45  DT  F "O4'" 
2550 C  "C3'" . DT  F 5   ? 0.40328 0.23647 0.34684 -0.02469 0.03807  0.01385  45  DT  F "C3'" 
2551 O  "O3'" . DT  F 5   ? 0.44155 0.26402 0.38480 -0.02275 0.02512  0.02920  45  DT  F "O3'" 
2552 C  "C2'" . DT  F 5   ? 0.36257 0.20702 0.30358 -0.01772 0.02931  0.00460  45  DT  F "C2'" 
2553 C  "C1'" . DT  F 5   ? 0.37874 0.21432 0.27974 -0.02653 0.02753  0.01085  45  DT  F "C1'" 
2554 N  N1    . DT  F 5   ? 0.38803 0.22670 0.27710 -0.02653 0.02481  0.00066  45  DT  F N1    
2555 C  C2    . DT  F 5   ? 0.36167 0.20187 0.23022 -0.03205 0.01215  0.00505  45  DT  F C2    
2556 O  O2    . DT  F 5   ? 0.40070 0.24253 0.26041 -0.03384 0.00097  0.01767  45  DT  F O2    
2557 N  N3    . DT  F 5   ? 0.38765 0.22685 0.24715 -0.03537 0.01215  -0.00577 45  DT  F N3    
2558 C  C4    . DT  F 5   ? 0.38022 0.21175 0.24609 -0.03107 0.02252  -0.01751 45  DT  F C4    
2559 O  O4    . DT  F 5   ? 0.37948 0.20268 0.23412 -0.03534 0.02228  -0.02491 45  DT  F O4    
2560 C  C5    . DT  F 5   ? 0.38659 0.22000 0.27453 -0.02130 0.03281  -0.02049 45  DT  F C5    
2561 C  C7    . DT  F 5   ? 0.39333 0.22142 0.29127 -0.01174 0.04082  -0.03175 45  DT  F C7    
2562 C  C6    . DT  F 5   ? 0.34669 0.18604 0.24655 -0.02099 0.03396  -0.01280 45  DT  F C6    
2563 P  P     . DG  F 6   ? 0.39828 0.22221 0.38172 -0.01339 0.01803  0.02660  46  DG  F P     
2564 O  OP1   . DG  F 6   ? 0.39922 0.20671 0.37483 -0.00963 0.00454  0.04466  46  DG  F OP1   
2565 O  OP2   . DG  F 6   ? 0.40305 0.22677 0.41008 -0.01894 0.03313  0.01738  46  DG  F OP2   
2566 O  "O5'" . DG  F 6   ? 0.36965 0.21769 0.37104 -0.00264 0.00923  0.01159  46  DG  F "O5'" 
2567 C  "C5'" . DG  F 6   ? 0.33316 0.18984 0.34361 0.00618  -0.00625 0.01364  46  DG  F "C5'" 
2568 C  "C4'" . DG  F 6   ? 0.39212 0.25109 0.37383 0.00283  -0.01554 0.02266  46  DG  F "C4'" 
2569 O  "O4'" . DG  F 6   ? 0.41332 0.27700 0.37519 -0.00412 -0.00839 0.01457  46  DG  F "O4'" 
2570 C  "C3'" . DG  F 6   ? 0.30631 0.18471 0.30303 0.01124  -0.03129 0.02154  46  DG  F "C3'" 
2571 O  "O3'" . DG  F 6   ? 0.42116 0.29308 0.40863 0.01435  -0.04459 0.03703  46  DG  F "O3'" 
2572 C  "C2'" . DG  F 6   ? 0.32846 0.22167 0.30996 0.00405  -0.03065 0.01347  46  DG  F "C2'" 
2573 C  "C1'" . DG  F 6   ? 0.36073 0.23557 0.31080 -0.00636 -0.01946 0.01543  46  DG  F "C1'" 
2574 N  N9    . DG  F 6   ? 0.34188 0.21834 0.27950 -0.01220 -0.01267 0.00484  46  DG  F N9    
2575 C  C8    . DG  F 6   ? 0.34235 0.21265 0.28293 -0.01022 -0.00051 -0.00407 46  DG  F C8    
2576 N  N7    . DG  F 6   ? 0.38533 0.25117 0.31108 -0.01478 0.00229  -0.01031 46  DG  F N7    
2577 C  C5    . DG  F 6   ? 0.35753 0.22997 0.27102 -0.02346 -0.00757 -0.00735 46  DG  F C5    
2578 C  C6    . DG  F 6   ? 0.35632 0.22661 0.25326 -0.03456 -0.00870 -0.01296 46  DG  F C6    
2579 O  O6    . DG  F 6   ? 0.35779 0.21235 0.24419 -0.03797 -0.00039 -0.01977 46  DG  F O6    
2580 N  N1    . DG  F 6   ? 0.37688 0.26422 0.27094 -0.04206 -0.02172 -0.01016 46  DG  F N1    
2581 C  C2    . DG  F 6   ? 0.34823 0.25035 0.25306 -0.03556 -0.03385 -0.00072 46  DG  F C2    
2582 N  N2    . DG  F 6   ? 0.40264 0.32511 0.30539 -0.04151 -0.04864 0.00045  46  DG  F N2    
2583 N  N3    . DG  F 6   ? 0.35747 0.25379 0.27511 -0.02411 -0.03231 0.00680  46  DG  F N3    
2584 C  C4    . DG  F 6   ? 0.34168 0.22416 0.26345 -0.02045 -0.01812 0.00188  46  DG  F C4    
2585 P  P     . DT  F 7   ? 0.41592 0.30596 0.43327 0.02936  -0.06189 0.03747  47  DT  F P     
2586 O  OP1   . DT  F 7   ? 0.40674 0.27957 0.41099 0.03526  -0.07551 0.05807  47  DT  F OP1   
2587 O  OP2   . DT  F 7   ? 0.38916 0.28580 0.44338 0.03830  -0.05612 0.02302  47  DT  F OP2   
2588 O  "O5'" . DT  F 7   ? 0.43652 0.35922 0.44991 0.02407  -0.06907 0.02913  47  DT  F "O5'" 
2589 C  "C5'" . DT  F 7   ? 0.38373 0.33440 0.42478 0.02699  -0.06701 0.01313  47  DT  F "C5'" 
2590 C  "C4'" . DT  F 7   ? 0.34439 0.32171 0.37736 0.01665  -0.07298 0.00834  47  DT  F "C4'" 
2591 O  "O4'" . DT  F 7   ? 0.37466 0.33574 0.37331 0.00052  -0.06275 0.00723  47  DT  F "O4'" 
2592 C  "C3'" . DT  F 7   ? 0.28302 0.29304 0.34236 0.01580  -0.06924 -0.00695 47  DT  F "C3'" 
2593 O  "O3'" . DT  F 7   ? 0.31948 0.35853 0.41440 0.02985  -0.08183 -0.00980 47  DT  F "O3'" 
2594 C  "C2'" . DT  F 7   ? 0.35843 0.37785 0.39559 -0.00346 -0.06843 -0.01016 47  DT  F "C2'" 
2595 C  "C1'" . DT  F 7   ? 0.35128 0.33391 0.34917 -0.01157 -0.06257 -0.00245 47  DT  F "C1'" 
2596 N  N1    . DT  F 7   ? 0.37017 0.33444 0.35184 -0.02070 -0.04606 -0.00891 47  DT  F N1    
2597 C  C2    . DT  F 7   ? 0.36237 0.32903 0.32958 -0.03704 -0.04229 -0.01544 47  DT  F C2    
2598 O  O2    . DT  F 7   ? 0.36938 0.35777 0.33878 -0.04698 -0.05141 -0.01860 47  DT  F O2    
2599 N  N3    . DT  F 7   ? 0.33532 0.27768 0.28687 -0.04131 -0.02821 -0.01853 47  DT  F N3    
2600 C  C4    . DT  F 7   ? 0.31309 0.23696 0.26456 -0.03001 -0.01963 -0.01698 47  DT  F C4    
2601 O  O4    . DT  F 7   ? 0.34432 0.24863 0.28247 -0.03149 -0.00997 -0.01912 47  DT  F O4    
2602 C  C5    . DT  F 7   ? 0.30930 0.23806 0.27917 -0.01611 -0.02375 -0.01295 47  DT  F C5    
2603 C  C7    . DT  F 7   ? 0.37122 0.28730 0.34722 -0.00604 -0.01568 -0.01426 47  DT  F C7    
2604 C  C6    . DT  F 7   ? 0.30581 0.25032 0.28839 -0.01256 -0.03575 -0.00847 47  DT  F C6    
2605 P  P     . DA  F 8   ? 0.37370 0.44907 0.50602 0.03495  -0.07524 -0.02782 48  DA  F P     
2606 O  OP1   . DA  F 8   ? 0.38380 0.49245 0.55225 0.04979  -0.09118 -0.03039 48  DA  F OP1   
2607 O  OP2   . DA  F 8   ? 0.31957 0.37602 0.45511 0.04079  -0.06231 -0.03382 48  DA  F OP2   
2608 O  "O5'" . DA  F 8   ? 0.42292 0.51617 0.54012 0.01248  -0.06486 -0.03559 48  DA  F "O5'" 
2609 C  "C5'" . DA  F 8   ? 0.42136 0.55211 0.55080 0.00270  -0.07261 -0.04068 48  DA  F "C5'" 
2610 C  "C4'" . DA  F 8   ? 0.38204 0.50950 0.48568 -0.02337 -0.06053 -0.04430 48  DA  F "C4'" 
2611 O  "O4'" . DA  F 8   ? 0.30487 0.38405 0.36850 -0.02908 -0.05294 -0.03556 48  DA  F "O4'" 
2612 C  "C3'" . DA  F 8   ? 0.27634 0.41987 0.38792 -0.03247 -0.04281 -0.05478 48  DA  F "C3'" 
2613 O  "O3'" . DA  F 8   ? 0.37738 0.57431 0.52446 -0.03736 -0.04437 -0.06707 48  DA  F "O3'" 
2614 C  "C2'" . DA  F 8   ? 0.29665 0.40790 0.36823 -0.05482 -0.03187 -0.05037 48  DA  F "C2'" 
2615 C  "C1'" . DA  F 8   ? 0.36512 0.43631 0.40921 -0.04944 -0.03965 -0.03965 48  DA  F "C1'" 
2616 N  N9    . DA  F 8   ? 0.33840 0.36716 0.35464 -0.04730 -0.02815 -0.03417 48  DA  F N9    
2617 C  C8    . DA  F 8   ? 0.29934 0.31035 0.31647 -0.03014 -0.02700 -0.03023 48  DA  F C8    
2618 N  N7    . DA  F 8   ? 0.26828 0.24830 0.26194 -0.03112 -0.01746 -0.02741 48  DA  F N7    
2619 C  C5    . DA  F 8   ? 0.34072 0.31050 0.31399 -0.04917 -0.01154 -0.02802 48  DA  F C5    
2620 C  C6    . DA  F 8   ? 0.32460 0.25907 0.26919 -0.05622 -0.00165 -0.02521 48  DA  F C6    
2621 N  N6    . DA  F 8   ? 0.31912 0.22848 0.25282 -0.04340 0.00258  -0.02161 48  DA  F N6    
2622 N  N1    . DA  F 8   ? 0.38567 0.31155 0.31568 -0.07664 0.00320  -0.02707 48  DA  F N1    
2623 C  C2    . DA  F 8   ? 0.38766 0.34590 0.33347 -0.09059 -0.00182 -0.03308 48  DA  F C2    
2624 N  N3    . DA  F 8   ? 0.32102 0.32033 0.29657 -0.08361 -0.01285 -0.03665 48  DA  F N3    
2625 C  C4    . DA  F 8   ? 0.33363 0.33316 0.32033 -0.06162 -0.01713 -0.03290 48  DA  F C4    
2626 N  N1    . BRU F 9   ? 0.35153 0.42105 0.35913 -0.11233 0.01711  -0.04872 49  BRU F N1    
2627 C  C2    . BRU F 9   ? 0.41148 0.42509 0.37863 -0.11785 0.02391  -0.03839 49  BRU F C2    
2628 N  N3    . BRU F 9   ? 0.37922 0.36181 0.32982 -0.09789 0.02269  -0.03067 49  BRU F N3    
2629 C  C4    . BRU F 9   ? 0.31309 0.31429 0.28323 -0.07570 0.01594  -0.03304 49  BRU F C4    
2630 C  C5    . BRU F 9   ? 0.28897 0.34009 0.29804 -0.07035 0.00979  -0.04322 49  BRU F C5    
2631 C  C6    . BRU F 9   ? 0.31544 0.40047 0.34272 -0.08763 0.01019  -0.05052 49  BRU F C6    
2632 O  O2    . BRU F 9   ? 0.39505 0.38834 0.34430 -0.14152 0.03111  -0.03778 49  BRU F O2    
2633 O  O4    . BRU F 9   ? 0.35697 0.33470 0.31587 -0.05933 0.01465  -0.02822 49  BRU F O4    
2634 BR BR    . BRU F 9   ? 0.42225 0.48946 0.45964 -0.04037 0.00155  -0.04847 49  BRU F BR    
2635 C  "C1'" . BRU F 9   ? 0.34061 0.45172 0.37203 -0.13357 0.01726  -0.05922 49  BRU F "C1'" 
2636 C  "C2'" . BRU F 9   ? 0.40119 0.56219 0.46057 -0.13791 0.02860  -0.06857 49  BRU F "C2'" 
2637 C  "C3'" . BRU F 9   ? 0.41329 0.63198 0.51671 -0.14370 0.01765  -0.08252 49  BRU F "C3'" 
2638 C  "C4'" . BRU F 9   ? 0.39317 0.59562 0.49441 -0.12838 -0.00496 -0.07794 49  BRU F "C4'" 
2639 O  "O3'" . BRU F 9   ? 0.46840 0.69746 0.57007 -0.17799 0.02593  -0.08816 49  BRU F "O3'" 
2640 O  "O4'" . BRU F 9   ? 0.39010 0.52883 0.44769 -0.12332 -0.00222 -0.06467 49  BRU F "O4'" 
2641 C  "C5'" . BRU F 9   ? 0.33199 0.56416 0.46838 -0.09745 -0.02071 -0.08069 49  BRU F "C5'" 
2642 O  "O5'" . BRU F 9   ? 0.32337 0.54038 0.45633 -0.07931 -0.01178 -0.07823 49  BRU F "O5'" 
2643 P  P     . BRU F 9   ? 0.36163 0.58769 0.52293 -0.04613 -0.02454 -0.07979 49  BRU F P     
2644 O  OP1   . BRU F 9   ? 0.32429 0.61239 0.53796 -0.03800 -0.03037 -0.09482 49  BRU F OP1   
2645 O  OP2   . BRU F 9   ? 0.30246 0.49718 0.44444 -0.03581 -0.01353 -0.07690 49  BRU F OP2   
2646 P  P     . DA  F 10  ? 0.43793 0.67351 0.53029 -0.20736 0.05341  -0.08968 50  DA  F P     
2647 O  OP1   . DA  F 10  ? 0.42015 0.69603 0.53841 -0.23575 0.05506  -0.10307 50  DA  F OP1   
2648 O  OP2   . DA  F 10  ? 0.42327 0.68292 0.52536 -0.19185 0.06476  -0.09162 50  DA  F OP2   
2649 O  "O5'" . DA  F 10  ? 0.55304 0.70710 0.58586 -0.21860 0.06335  -0.07185 50  DA  F "O5'" 
2650 C  "C5'" . DA  F 10  ? 0.55042 0.66176 0.56193 -0.22550 0.05335  -0.06894 50  DA  F "C5'" 
2651 C  "C4'" . DA  F 10  ? 0.61959 0.66089 0.58258 -0.24401 0.06907  -0.05604 50  DA  F "C4'" 
2652 O  "O4'" . DA  F 10  ? 0.54679 0.53704 0.47837 -0.21653 0.06563  -0.04135 50  DA  F "O4'" 
2653 C  "C3'" . DA  F 10  ? 0.52119 0.56113 0.47152 -0.26930 0.09335  -0.05054 50  DA  F "C3'" 
2654 O  "O3'" . DA  F 10  ? 0.73356 0.71629 0.65059 -0.28500 0.10009  -0.04398 50  DA  F "O3'" 
2655 C  "C2'" . DA  F 10  ? 0.56863 0.58738 0.49443 -0.24291 0.09735  -0.03548 50  DA  F "C2'" 
2656 C  "C1'" . DA  F 10  ? 0.52860 0.50227 0.43737 -0.21482 0.08050  -0.02873 50  DA  F "C1'" 
2657 N  N9    . DA  F 10  ? 0.43744 0.42448 0.35316 -0.18071 0.07133  -0.02631 50  DA  F N9    
2658 C  C8    . DA  F 10  ? 0.41841 0.46255 0.37229 -0.16530 0.06444  -0.03779 50  DA  F C8    
2659 N  N7    . DA  F 10  ? 0.46390 0.50255 0.41572 -0.13718 0.05738  -0.03460 50  DA  F N7    
2660 C  C5    . DA  F 10  ? 0.44393 0.42371 0.35571 -0.13265 0.05856  -0.02005 50  DA  F C5    
2661 C  C6    . DA  F 10  ? 0.41812 0.37058 0.31285 -0.10783 0.05244  -0.01216 50  DA  F C6    
2662 N  N6    . DA  F 10  ? 0.36949 0.34827 0.28410 -0.08549 0.04476  -0.01864 50  DA  F N6    
2663 N  N1    . DA  F 10  ? 0.42829 0.32576 0.28772 -0.10677 0.05423  0.00100  50  DA  F N1    
2664 C  C2    . DA  F 10  ? 0.45587 0.32039 0.29549 -0.12987 0.06275  0.00619  50  DA  F C2    
2665 N  N3    . DA  F 10  ? 0.50197 0.38445 0.35304 -0.15782 0.07005  -0.00108 50  DA  F N3    
2666 C  C4    . DA  F 10  ? 0.52877 0.47349 0.41756 -0.15748 0.06699  -0.01427 50  DA  F C4    
2667 P  P     . DA  F 11  ? 0.70122 0.65238 0.58744 -0.30140 0.12101  -0.03097 51  DA  F P     
2668 O  OP1   . DA  F 11  ? 0.73191 0.64892 0.60744 -0.32066 0.12344  -0.03442 51  DA  F OP1   
2669 O  OP2   . DA  F 11  ? 0.60103 0.61205 0.50934 -0.30846 0.13285  -0.03598 51  DA  F OP2   
2670 O  "O5'" . DA  F 11  ? 0.64685 0.53241 0.48738 -0.28072 0.12222  -0.00843 51  DA  F "O5'" 
2671 C  "C5'" . DA  F 11  ? 0.61951 0.44921 0.44002 -0.26506 0.11119  -0.00364 51  DA  F "C5'" 
2672 C  "C4'" . DA  F 11  ? 0.70248 0.47561 0.48241 -0.24449 0.11315  0.01832  51  DA  F "C4'" 
2673 O  "O4'" . DA  F 11  ? 0.64079 0.43314 0.42334 -0.22276 0.10703  0.02204  51  DA  F "O4'" 
2674 C  "C3'" . DA  F 11  ? 0.73451 0.49148 0.48791 -0.25446 0.12768  0.03435  51  DA  F "C3'" 
2675 O  "O3'" . DA  F 11  ? 0.80142 0.48901 0.51925 -0.24050 0.12566  0.05184  51  DA  F "O3'" 
2676 C  "C2'" . DA  F 11  ? 0.71087 0.50864 0.46440 -0.24349 0.13043  0.03904  51  DA  F "C2'" 
2677 C  "C1'" . DA  F 11  ? 0.68722 0.47884 0.44511 -0.21710 0.11566  0.03741  51  DA  F "C1'" 
2678 N  N9    . DA  F 11  ? 0.62619 0.48159 0.41303 -0.19745 0.10859  0.02679  51  DA  F N9    
2679 C  C8    . DA  F 11  ? 0.60269 0.52737 0.42996 -0.20698 0.11178  0.00902  51  DA  F C8    
2680 N  N7    . DA  F 11  ? 0.51317 0.47859 0.36115 -0.18180 0.10338  0.00093  51  DA  F N7    
2681 C  C5    . DA  F 11  ? 0.53074 0.45459 0.35049 -0.15647 0.09385  0.01373  51  DA  F C5    
2682 C  C6    . DA  F 11  ? 0.54177 0.47953 0.36637 -0.12609 0.08238  0.01123  51  DA  F C6    
2683 N  N6    . DA  F 11  ? 0.44992 0.44259 0.30849 -0.11534 0.07940  -0.00536 51  DA  F N6    
2684 N  N1    . DA  F 11  ? 0.54730 0.44058 0.34348 -0.10689 0.07383  0.02455  51  DA  F N1    
2685 C  C2    . DA  F 11  ? 0.57373 0.40855 0.33838 -0.11452 0.07667  0.04006  51  DA  F C2    
2686 N  N3    . DA  F 11  ? 0.61555 0.42461 0.37006 -0.14229 0.08803  0.04403  51  DA  F N3    
2687 C  C4    . DA  F 11  ? 0.55265 0.41076 0.33574 -0.16412 0.09648  0.03009  51  DA  F C4    
2688 P  P     . DT  F 12  ? 0.91637 0.56899 0.59926 -0.24847 0.13784  0.07358  52  DT  F P     
2689 O  OP1   . DT  F 12  ? 1.05336 0.64282 0.72081 -0.24902 0.13708  0.07929  52  DT  F OP1   
2690 O  OP2   . DT  F 12  ? 0.80349 0.50336 0.49702 -0.27620 0.15337  0.06891  52  DT  F OP2   
2691 O  "O5'" . DT  F 12  ? 0.79537 0.43653 0.45143 -0.21772 0.13028  0.09238  52  DT  F "O5'" 
2692 C  "C5'" . DT  F 12  ? 0.88455 0.51285 0.54330 -0.18744 0.11437  0.09083  52  DT  F "C5'" 
2693 C  "C4'" . DT  F 12  ? 0.89251 0.51929 0.52552 -0.16146 0.10752  0.10771  52  DT  F "C4'" 
2694 O  "O4'" . DT  F 12  ? 0.86091 0.54370 0.50964 -0.15708 0.10597  0.09662  52  DT  F "O4'" 
2695 C  "C3'" . DT  F 12  ? 0.87636 0.49366 0.47604 -0.16907 0.11670  0.12824  52  DT  F "C3'" 
2696 O  "O3'" . DT  F 12  ? 1.03745 0.61902 0.60774 -0.13966 0.10411  0.14823  52  DT  F "O3'" 
2697 C  "C2'" . DT  F 12  ? 0.77592 0.45872 0.38277 -0.17878 0.12504  0.12003  52  DT  F "C2'" 
2698 C  "C1'" . DT  F 12  ? 0.81741 0.52558 0.44422 -0.15739 0.11207  0.10636  52  DT  F "C1'" 
2699 N  N1    . DT  F 12  ? 0.79278 0.57129 0.44661 -0.16814 0.11953  0.08703  52  DT  F N1    
2700 C  C2    . DT  F 12  ? 0.74173 0.55978 0.41179 -0.13974 0.10588  0.07650  52  DT  F C2    
2701 O  O2    . DT  F 12  ? 0.71300 0.50897 0.36805 -0.11172 0.09054  0.08458  52  DT  F O2    
2702 N  N3    . DT  F 12  ? 0.66284 0.54950 0.37275 -0.14416 0.10992  0.05383  52  DT  F N3    
2703 C  C4    . DT  F 12  ? 0.67374 0.59817 0.40979 -0.17231 0.12543  0.04111  52  DT  F C4    
2704 O  O4    . DT  F 12  ? 0.60552 0.59210 0.38071 -0.17003 0.12686  0.01999  52  DT  F O4    
2705 C  C5    . DT  F 12  ? 0.66965 0.55559 0.38707 -0.20430 0.13965  0.05270  52  DT  F C5    
2706 C  C7    . DT  F 12  ? 0.59768 0.52850 0.35138 -0.23343 0.15285  0.03638  52  DT  F C7    
2707 C  C6    . DT  F 12  ? 0.73899 0.55460 0.42128 -0.19768 0.13373  0.07320  52  DT  F C6    
# 
