data_9DCF
# 
_entry.id   9DCF 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.403 
_audit_conform.dict_location   http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic 
# 
loop_
_database_2.database_id 
_database_2.database_code 
_database_2.pdbx_database_accession 
_database_2.pdbx_DOI 
PDB   9DCF         pdb_00009dcf 10.2210/pdb9dcf/pdb 
WWPDB D_1000287238 ?            ?                   
# 
_pdbx_audit_revision_history.ordinal             1 
_pdbx_audit_revision_history.data_content_type   'Structure model' 
_pdbx_audit_revision_history.major_revision      1 
_pdbx_audit_revision_history.minor_revision      0 
_pdbx_audit_revision_history.revision_date       2025-03-26 
_pdbx_audit_revision_history.part_number         ? 
# 
_pdbx_audit_revision_details.ordinal             1 
_pdbx_audit_revision_details.revision_ordinal    1 
_pdbx_audit_revision_details.data_content_type   'Structure model' 
_pdbx_audit_revision_details.provider            repository 
_pdbx_audit_revision_details.type                'Initial release' 
_pdbx_audit_revision_details.description         ? 
_pdbx_audit_revision_details.details             ? 
# 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.entry_id                        9DCF 
_pdbx_database_status.recvd_initial_deposition_date   2024-08-26 
_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                 2 
_pdbx_contact_author.email              kaychoi@iu.edu 
_pdbx_contact_author.name_first         Kyung 
_pdbx_contact_author.name_last          Choi 
_pdbx_contact_author.name_mi            H 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0003-0865-1265 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Gottipati, K.'  1 0000-0001-5806-4654 
'Dias, D.S.A.N.' 2 0009-0000-7486-8564 
'Choi, K.H.'     3 0000-0003-0865-1265 
# 
_citation.abstract                  ? 
_citation.abstract_id_CAS           ? 
_citation.book_id_ISBN              ? 
_citation.book_publisher            ? 
_citation.book_publisher_city       ? 
_citation.book_title                ? 
_citation.coordinate_linkage        ? 
_citation.country                   US 
_citation.database_id_Medline       ? 
_citation.details                   ? 
_citation.id                        primary 
_citation.journal_abbrev            'Sci Adv' 
_citation.journal_id_ASTM           ? 
_citation.journal_id_CSD            ? 
_citation.journal_id_ISSN           2375-2548 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            11 
_citation.language                  ? 
_citation.page_first                eads6862 
_citation.page_last                 eads6862 
_citation.title                     
'Structure of coxsackievirus cloverleaf RNA and 3C pro dimer establishes the RNA-binding mechanism of enterovirus protease 3C pro.' 
_citation.year                      2025 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      10.1126/sciadv.ads6862 
_citation.pdbx_database_id_PubMed   40073119 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Dias-Solange, D.' 1 0009-0000-7486-8564 
primary 'Le, M.T.'         2 0009-0006-2265-4234 
primary 'Gottipati, K.'    3 0000-0001-5806-4654 
primary 'Choi, K.H.'       4 0000-0003-0865-1265 
# 
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 'Protease 3C'    21467.592 2  3.4.22.28 C147A,G55A,D58A,V63A 'UNP residues 1541-1723' ? 
2 polymer man 'cloverleaf RNA' 28789.004 1  ?         ?                    ?                        ? 
3 water   nat water            18.015    12 ?         ?                    ?                        ? 
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        'Picornain 3C,P3C' 
# 
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 
;MGGPAFEFAVAMMKRNSSTVKTEYGEFTMLGIYDRWAVLPRHAKPGPTILMNDQEVAVLAAKELADKDGTNLELTLLKLN
RNEKFRDIRGFLAKEEVEVNEAVLAINTSKFPNMYIPVGQVTEYGFLNLGGTPTKRMLMYNFPTRAGQAGGVLMSTGKVL
GIHVGGNGHQGFSAALLKHYFNDEQLEHHHHHH
;
;MGGPAFEFAVAMMKRNSSTVKTEYGEFTMLGIYDRWAVLPRHAKPGPTILMNDQEVAVLAAKELADKDGTNLELTLLKLN
RNEKFRDIRGFLAKEEVEVNEAVLAINTSKFPNMYIPVGQVTEYGFLNLGGTPTKRMLMYNFPTRAGQAGGVLMSTGKVL
GIHVGGNGHQGFSAALLKHYFNDEQLEHHHHHH
;
A,B ? 
2 polyribonucleotide no no 
;GGUAAAACAGCCUGUGGGUUGAUCCCACCCACAGGGCCCAUUGGGCGCUAGCACUCUGGUAUCACGGUACCUUUGUGCGC
CUGUUUUACC
;
;GGUAAAACAGCCUGUGGGUUGAUCCCACCCACAGGGCCCAUUGGGCGCUAGCACUCUGGUAUCACGGUACCUUUGUGCGC
CUGUUUUACC
;
C   ? 
# 
_pdbx_entity_nonpoly.entity_id   3 
_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   GLY n 
1 3   GLY n 
1 4   PRO n 
1 5   ALA n 
1 6   PHE n 
1 7   GLU n 
1 8   PHE n 
1 9   ALA n 
1 10  VAL n 
1 11  ALA n 
1 12  MET n 
1 13  MET n 
1 14  LYS n 
1 15  ARG n 
1 16  ASN n 
1 17  SER n 
1 18  SER n 
1 19  THR n 
1 20  VAL n 
1 21  LYS n 
1 22  THR n 
1 23  GLU n 
1 24  TYR n 
1 25  GLY n 
1 26  GLU n 
1 27  PHE n 
1 28  THR n 
1 29  MET n 
1 30  LEU n 
1 31  GLY n 
1 32  ILE n 
1 33  TYR n 
1 34  ASP n 
1 35  ARG n 
1 36  TRP n 
1 37  ALA n 
1 38  VAL n 
1 39  LEU n 
1 40  PRO n 
1 41  ARG n 
1 42  HIS n 
1 43  ALA n 
1 44  LYS n 
1 45  PRO n 
1 46  GLY n 
1 47  PRO n 
1 48  THR n 
1 49  ILE n 
1 50  LEU n 
1 51  MET n 
1 52  ASN n 
1 53  ASP n 
1 54  GLN n 
1 55  GLU n 
1 56  VAL n 
1 57  ALA n 
1 58  VAL n 
1 59  LEU n 
1 60  ALA n 
1 61  ALA n 
1 62  LYS n 
1 63  GLU n 
1 64  LEU n 
1 65  ALA n 
1 66  ASP n 
1 67  LYS n 
1 68  ASP n 
1 69  GLY n 
1 70  THR n 
1 71  ASN n 
1 72  LEU n 
1 73  GLU n 
1 74  LEU n 
1 75  THR n 
1 76  LEU n 
1 77  LEU n 
1 78  LYS n 
1 79  LEU n 
1 80  ASN n 
1 81  ARG n 
1 82  ASN n 
1 83  GLU n 
1 84  LYS n 
1 85  PHE n 
1 86  ARG n 
1 87  ASP n 
1 88  ILE n 
1 89  ARG n 
1 90  GLY n 
1 91  PHE n 
1 92  LEU n 
1 93  ALA n 
1 94  LYS n 
1 95  GLU n 
1 96  GLU n 
1 97  VAL n 
1 98  GLU n 
1 99  VAL n 
1 100 ASN n 
1 101 GLU n 
1 102 ALA n 
1 103 VAL n 
1 104 LEU n 
1 105 ALA n 
1 106 ILE n 
1 107 ASN n 
1 108 THR n 
1 109 SER n 
1 110 LYS n 
1 111 PHE n 
1 112 PRO n 
1 113 ASN n 
1 114 MET n 
1 115 TYR n 
1 116 ILE n 
1 117 PRO n 
1 118 VAL n 
1 119 GLY n 
1 120 GLN n 
1 121 VAL n 
1 122 THR n 
1 123 GLU n 
1 124 TYR n 
1 125 GLY n 
1 126 PHE n 
1 127 LEU n 
1 128 ASN n 
1 129 LEU n 
1 130 GLY n 
1 131 GLY n 
1 132 THR n 
1 133 PRO n 
1 134 THR n 
1 135 LYS n 
1 136 ARG n 
1 137 MET n 
1 138 LEU n 
1 139 MET n 
1 140 TYR n 
1 141 ASN n 
1 142 PHE n 
1 143 PRO n 
1 144 THR n 
1 145 ARG n 
1 146 ALA n 
1 147 GLY n 
1 148 GLN n 
1 149 ALA n 
1 150 GLY n 
1 151 GLY n 
1 152 VAL n 
1 153 LEU n 
1 154 MET n 
1 155 SER n 
1 156 THR n 
1 157 GLY n 
1 158 LYS n 
1 159 VAL n 
1 160 LEU n 
1 161 GLY n 
1 162 ILE n 
1 163 HIS n 
1 164 VAL n 
1 165 GLY n 
1 166 GLY n 
1 167 ASN n 
1 168 GLY n 
1 169 HIS n 
1 170 GLN n 
1 171 GLY n 
1 172 PHE n 
1 173 SER n 
1 174 ALA n 
1 175 ALA n 
1 176 LEU n 
1 177 LEU n 
1 178 LYS n 
1 179 HIS n 
1 180 TYR n 
1 181 PHE n 
1 182 ASN n 
1 183 ASP n 
1 184 GLU n 
1 185 GLN n 
1 186 LEU n 
1 187 GLU n 
1 188 HIS n 
1 189 HIS n 
1 190 HIS n 
1 191 HIS n 
1 192 HIS n 
1 193 HIS n 
2 1   G   n 
2 2   G   n 
2 3   U   n 
2 4   A   n 
2 5   A   n 
2 6   A   n 
2 7   A   n 
2 8   C   n 
2 9   A   n 
2 10  G   n 
2 11  C   n 
2 12  C   n 
2 13  U   n 
2 14  G   n 
2 15  U   n 
2 16  G   n 
2 17  G   n 
2 18  G   n 
2 19  U   n 
2 20  U   n 
2 21  G   n 
2 22  A   n 
2 23  U   n 
2 24  C   n 
2 25  C   n 
2 26  C   n 
2 27  A   n 
2 28  C   n 
2 29  C   n 
2 30  C   n 
2 31  A   n 
2 32  C   n 
2 33  A   n 
2 34  G   n 
2 35  G   n 
2 36  G   n 
2 37  C   n 
2 38  C   n 
2 39  C   n 
2 40  A   n 
2 41  U   n 
2 42  U   n 
2 43  G   n 
2 44  G   n 
2 45  G   n 
2 46  C   n 
2 47  G   n 
2 48  C   n 
2 49  U   n 
2 50  A   n 
2 51  G   n 
2 52  C   n 
2 53  A   n 
2 54  C   n 
2 55  U   n 
2 56  C   n 
2 57  U   n 
2 58  G   n 
2 59  G   n 
2 60  U   n 
2 61  A   n 
2 62  U   n 
2 63  C   n 
2 64  A   n 
2 65  C   n 
2 66  G   n 
2 67  G   n 
2 68  U   n 
2 69  A   n 
2 70  C   n 
2 71  C   n 
2 72  U   n 
2 73  U   n 
2 74  U   n 
2 75  G   n 
2 76  U   n 
2 77  G   n 
2 78  C   n 
2 79  G   n 
2 80  C   n 
2 81  C   n 
2 82  U   n 
2 83  G   n 
2 84  U   n 
2 85  U   n 
2 86  U   n 
2 87  U   n 
2 88  A   n 
2 89  C   n 
2 90  C   n 
# 
loop_
_entity_src_gen.entity_id 
_entity_src_gen.pdbx_src_id 
_entity_src_gen.pdbx_alt_source_flag 
_entity_src_gen.pdbx_seq_type 
_entity_src_gen.pdbx_beg_seq_num 
_entity_src_gen.pdbx_end_seq_num 
_entity_src_gen.gene_src_common_name 
_entity_src_gen.gene_src_genus 
_entity_src_gen.pdbx_gene_src_gene 
_entity_src_gen.gene_src_species 
_entity_src_gen.gene_src_strain 
_entity_src_gen.gene_src_tissue 
_entity_src_gen.gene_src_tissue_fraction 
_entity_src_gen.gene_src_details 
_entity_src_gen.pdbx_gene_src_fragment 
_entity_src_gen.pdbx_gene_src_scientific_name 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 
_entity_src_gen.pdbx_gene_src_variant 
_entity_src_gen.pdbx_gene_src_cell_line 
_entity_src_gen.pdbx_gene_src_atcc 
_entity_src_gen.pdbx_gene_src_organ 
_entity_src_gen.pdbx_gene_src_organelle 
_entity_src_gen.pdbx_gene_src_cell 
_entity_src_gen.pdbx_gene_src_cellular_location 
_entity_src_gen.host_org_common_name 
_entity_src_gen.pdbx_host_org_scientific_name 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 
_entity_src_gen.host_org_genus 
_entity_src_gen.pdbx_host_org_gene 
_entity_src_gen.pdbx_host_org_organ 
_entity_src_gen.host_org_species 
_entity_src_gen.pdbx_host_org_tissue 
_entity_src_gen.pdbx_host_org_tissue_fraction 
_entity_src_gen.pdbx_host_org_strain 
_entity_src_gen.pdbx_host_org_variant 
_entity_src_gen.pdbx_host_org_cell_line 
_entity_src_gen.pdbx_host_org_atcc 
_entity_src_gen.pdbx_host_org_culture_collection 
_entity_src_gen.pdbx_host_org_cell 
_entity_src_gen.pdbx_host_org_organelle 
_entity_src_gen.pdbx_host_org_cellular_location 
_entity_src_gen.pdbx_host_org_vector_type 
_entity_src_gen.pdbx_host_org_vector 
_entity_src_gen.host_org_details 
_entity_src_gen.expression_system_id 
_entity_src_gen.plasmid_name 
_entity_src_gen.plasmid_details 
_entity_src_gen.pdbx_description 
1 1 sample 'Biological sequence' 1 193 ? ? ? ? ? ? ? ? ? 'Coxsackievirus B3 (strain Nancy)' 103903 ? ? ? ? ? ? ? ? 
'Escherichia coli BL21(DE3)' 469008 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 
2 1 sample 'Biological sequence' 1 90  ? ? ? ? ? ? ? ? ? 'Coxsackievirus B3 (strain Nancy)' 103903 ? ? ? ? ? ? ? ? 
'Escherichia coli BL21(DE3)' 469008 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 
# 
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 
A   'RNA linking'       y "ADENOSINE-5'-MONOPHOSPHATE" ? 'C10 H14 N5 O7 P' 347.221 
ALA 'L-peptide linking' y ALANINE                      ? 'C3 H7 N O2'      89.093  
ARG 'L-peptide linking' y ARGININE                     ? 'C6 H15 N4 O2 1'  175.209 
ASN 'L-peptide linking' y ASPARAGINE                   ? 'C4 H8 N2 O3'     132.118 
ASP 'L-peptide linking' y 'ASPARTIC ACID'              ? 'C4 H7 N O4'      133.103 
C   'RNA linking'       y "CYTIDINE-5'-MONOPHOSPHATE"  ? 'C9 H14 N3 O8 P'  323.197 
CYS 'L-peptide linking' y CYSTEINE                     ? 'C3 H7 N O2 S'    121.158 
G   'RNA linking'       y "GUANOSINE-5'-MONOPHOSPHATE" ? 'C10 H14 N5 O8 P' 363.221 
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 
U   'RNA linking'       y "URIDINE-5'-MONOPHOSPHATE"   ? 'C9 H13 N2 O9 P'  324.181 
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   GLY 2   0   ?   ?   ?   A . n 
A 1 3   GLY 3   1   1   GLY GLY A . n 
A 1 4   PRO 4   2   2   PRO PRO A . n 
A 1 5   ALA 5   3   3   ALA ALA A . n 
A 1 6   PHE 6   4   4   PHE PHE A . n 
A 1 7   GLU 7   5   5   GLU GLU A . n 
A 1 8   PHE 8   6   6   PHE PHE A . n 
A 1 9   ALA 9   7   7   ALA ALA A . n 
A 1 10  VAL 10  8   8   VAL VAL A . n 
A 1 11  ALA 11  9   9   ALA ALA A . n 
A 1 12  MET 12  10  10  MET MET A . n 
A 1 13  MET 13  11  11  MET MET A . n 
A 1 14  LYS 14  12  12  LYS LYS A . n 
A 1 15  ARG 15  13  13  ARG ARG A . n 
A 1 16  ASN 16  14  14  ASN ASN A . n 
A 1 17  SER 17  15  15  SER SER A . n 
A 1 18  SER 18  16  16  SER SER A . n 
A 1 19  THR 19  17  17  THR THR A . n 
A 1 20  VAL 20  18  18  VAL VAL A . n 
A 1 21  LYS 21  19  19  LYS LYS A . n 
A 1 22  THR 22  20  20  THR THR A . n 
A 1 23  GLU 23  21  21  GLU GLU A . n 
A 1 24  TYR 24  22  22  TYR TYR A . n 
A 1 25  GLY 25  23  23  GLY GLY A . n 
A 1 26  GLU 26  24  24  GLU GLU A . n 
A 1 27  PHE 27  25  25  PHE PHE A . n 
A 1 28  THR 28  26  26  THR THR A . n 
A 1 29  MET 29  27  27  MET MET A . n 
A 1 30  LEU 30  28  28  LEU LEU A . n 
A 1 31  GLY 31  29  29  GLY GLY A . n 
A 1 32  ILE 32  30  30  ILE ILE A . n 
A 1 33  TYR 33  31  31  TYR TYR A . n 
A 1 34  ASP 34  32  32  ASP ASP A . n 
A 1 35  ARG 35  33  33  ARG ARG A . n 
A 1 36  TRP 36  34  34  TRP TRP A . n 
A 1 37  ALA 37  35  35  ALA ALA A . n 
A 1 38  VAL 38  36  36  VAL VAL A . n 
A 1 39  LEU 39  37  37  LEU LEU A . n 
A 1 40  PRO 40  38  38  PRO PRO A . n 
A 1 41  ARG 41  39  39  ARG ARG A . n 
A 1 42  HIS 42  40  40  HIS HIS A . n 
A 1 43  ALA 43  41  41  ALA ALA A . n 
A 1 44  LYS 44  42  42  LYS LYS A . n 
A 1 45  PRO 45  43  43  PRO PRO A . n 
A 1 46  GLY 46  44  44  GLY GLY A . n 
A 1 47  PRO 47  45  45  PRO PRO A . n 
A 1 48  THR 48  46  46  THR THR A . n 
A 1 49  ILE 49  47  47  ILE ILE A . n 
A 1 50  LEU 50  48  48  LEU LEU A . n 
A 1 51  MET 51  49  49  MET MET A . n 
A 1 52  ASN 52  50  50  ASN ASN A . n 
A 1 53  ASP 53  51  51  ASP ASP A . n 
A 1 54  GLN 54  52  52  GLN GLN A . n 
A 1 55  GLU 55  53  53  GLU GLU A . n 
A 1 56  VAL 56  54  54  VAL VAL A . n 
A 1 57  ALA 57  55  55  ALA ALA A . n 
A 1 58  VAL 58  56  56  VAL VAL A . n 
A 1 59  LEU 59  57  57  LEU LEU A . n 
A 1 60  ALA 60  58  58  ALA ALA A . n 
A 1 61  ALA 61  59  59  ALA ALA A . n 
A 1 62  LYS 62  60  60  LYS LYS A . n 
A 1 63  GLU 63  61  61  GLU GLU A . n 
A 1 64  LEU 64  62  62  LEU LEU A . n 
A 1 65  ALA 65  63  63  ALA ALA A . n 
A 1 66  ASP 66  64  64  ASP ASP A . n 
A 1 67  LYS 67  65  65  LYS LYS A . n 
A 1 68  ASP 68  66  66  ASP ASP A . n 
A 1 69  GLY 69  67  67  GLY GLY A . n 
A 1 70  THR 70  68  68  THR THR A . n 
A 1 71  ASN 71  69  69  ASN ASN A . n 
A 1 72  LEU 72  70  70  LEU LEU A . n 
A 1 73  GLU 73  71  71  GLU GLU A . n 
A 1 74  LEU 74  72  72  LEU LEU A . n 
A 1 75  THR 75  73  73  THR THR A . n 
A 1 76  LEU 76  74  74  LEU LEU A . n 
A 1 77  LEU 77  75  75  LEU LEU A . n 
A 1 78  LYS 78  76  76  LYS LYS A . n 
A 1 79  LEU 79  77  77  LEU LEU A . n 
A 1 80  ASN 80  78  78  ASN ASN A . n 
A 1 81  ARG 81  79  79  ARG ARG A . n 
A 1 82  ASN 82  80  80  ASN ASN A . n 
A 1 83  GLU 83  81  81  GLU GLU A . n 
A 1 84  LYS 84  82  82  LYS LYS A . n 
A 1 85  PHE 85  83  83  PHE PHE A . n 
A 1 86  ARG 86  84  84  ARG ARG A . n 
A 1 87  ASP 87  85  85  ASP ASP A . n 
A 1 88  ILE 88  86  86  ILE ILE A . n 
A 1 89  ARG 89  87  87  ARG ARG A . n 
A 1 90  GLY 90  88  88  GLY GLY A . n 
A 1 91  PHE 91  89  89  PHE PHE A . n 
A 1 92  LEU 92  90  90  LEU LEU A . n 
A 1 93  ALA 93  91  91  ALA ALA A . n 
A 1 94  LYS 94  92  92  LYS LYS A . n 
A 1 95  GLU 95  93  93  GLU GLU A . n 
A 1 96  GLU 96  94  94  GLU GLU A . n 
A 1 97  VAL 97  95  95  VAL VAL A . n 
A 1 98  GLU 98  96  96  GLU GLU A . n 
A 1 99  VAL 99  97  97  VAL VAL A . n 
A 1 100 ASN 100 98  98  ASN ASN A . n 
A 1 101 GLU 101 99  99  GLU GLU A . n 
A 1 102 ALA 102 100 100 ALA ALA A . n 
A 1 103 VAL 103 101 101 VAL VAL A . n 
A 1 104 LEU 104 102 102 LEU LEU A . n 
A 1 105 ALA 105 103 103 ALA ALA A . n 
A 1 106 ILE 106 104 104 ILE ILE A . n 
A 1 107 ASN 107 105 105 ASN ASN A . n 
A 1 108 THR 108 106 106 THR THR A . n 
A 1 109 SER 109 107 107 SER SER A . n 
A 1 110 LYS 110 108 108 LYS LYS A . n 
A 1 111 PHE 111 109 109 PHE PHE A . n 
A 1 112 PRO 112 110 110 PRO PRO A . n 
A 1 113 ASN 113 111 111 ASN ASN A . n 
A 1 114 MET 114 112 112 MET MET A . n 
A 1 115 TYR 115 113 113 TYR TYR A . n 
A 1 116 ILE 116 114 114 ILE ILE A . n 
A 1 117 PRO 117 115 115 PRO PRO A . n 
A 1 118 VAL 118 116 116 VAL VAL A . n 
A 1 119 GLY 119 117 117 GLY GLY A . n 
A 1 120 GLN 120 118 118 GLN GLN A . n 
A 1 121 VAL 121 119 119 VAL VAL A . n 
A 1 122 THR 122 120 120 THR THR A . n 
A 1 123 GLU 123 121 121 GLU GLU A . n 
A 1 124 TYR 124 122 122 TYR TYR A . n 
A 1 125 GLY 125 123 123 GLY GLY A . n 
A 1 126 PHE 126 124 124 PHE PHE A . n 
A 1 127 LEU 127 125 125 LEU LEU A . n 
A 1 128 ASN 128 126 126 ASN ASN A . n 
A 1 129 LEU 129 127 127 LEU LEU A . n 
A 1 130 GLY 130 128 128 GLY GLY A . n 
A 1 131 GLY 131 129 129 GLY GLY A . n 
A 1 132 THR 132 130 130 THR THR A . n 
A 1 133 PRO 133 131 131 PRO PRO A . n 
A 1 134 THR 134 132 132 THR THR A . n 
A 1 135 LYS 135 133 133 LYS LYS A . n 
A 1 136 ARG 136 134 134 ARG ARG A . n 
A 1 137 MET 137 135 135 MET MET A . n 
A 1 138 LEU 138 136 136 LEU LEU A . n 
A 1 139 MET 139 137 137 MET MET A . n 
A 1 140 TYR 140 138 138 TYR TYR A . n 
A 1 141 ASN 141 139 139 ASN ASN A . n 
A 1 142 PHE 142 140 140 PHE PHE A . n 
A 1 143 PRO 143 141 141 PRO PRO A . n 
A 1 144 THR 144 142 142 THR THR A . n 
A 1 145 ARG 145 143 143 ARG ARG A . n 
A 1 146 ALA 146 144 144 ALA ALA A . n 
A 1 147 GLY 147 145 145 GLY GLY A . n 
A 1 148 GLN 148 146 146 GLN GLN A . n 
A 1 149 ALA 149 147 147 ALA ALA A . n 
A 1 150 GLY 150 148 148 GLY GLY A . n 
A 1 151 GLY 151 149 149 GLY GLY A . n 
A 1 152 VAL 152 150 150 VAL VAL A . n 
A 1 153 LEU 153 151 151 LEU LEU A . n 
A 1 154 MET 154 152 152 MET MET A . n 
A 1 155 SER 155 153 153 SER SER A . n 
A 1 156 THR 156 154 154 THR THR A . n 
A 1 157 GLY 157 155 155 GLY GLY A . n 
A 1 158 LYS 158 156 156 LYS LYS A . n 
A 1 159 VAL 159 157 157 VAL VAL A . n 
A 1 160 LEU 160 158 158 LEU LEU A . n 
A 1 161 GLY 161 159 159 GLY GLY A . n 
A 1 162 ILE 162 160 160 ILE ILE A . n 
A 1 163 HIS 163 161 161 HIS HIS A . n 
A 1 164 VAL 164 162 162 VAL VAL A . n 
A 1 165 GLY 165 163 163 GLY GLY A . n 
A 1 166 GLY 166 164 164 GLY GLY A . n 
A 1 167 ASN 167 165 165 ASN ASN A . n 
A 1 168 GLY 168 166 166 GLY GLY A . n 
A 1 169 HIS 169 167 167 HIS HIS A . n 
A 1 170 GLN 170 168 168 GLN GLN A . n 
A 1 171 GLY 171 169 169 GLY GLY A . n 
A 1 172 PHE 172 170 170 PHE PHE A . n 
A 1 173 SER 173 171 171 SER SER A . n 
A 1 174 ALA 174 172 172 ALA ALA A . n 
A 1 175 ALA 175 173 173 ALA ALA A . n 
A 1 176 LEU 176 174 174 LEU LEU A . n 
A 1 177 LEU 177 175 175 LEU LEU A . n 
A 1 178 LYS 178 176 176 LYS LYS A . n 
A 1 179 HIS 179 177 177 HIS HIS A . n 
A 1 180 TYR 180 178 178 TYR TYR A . n 
A 1 181 PHE 181 179 179 PHE PHE A . n 
A 1 182 ASN 182 180 180 ASN ASN A . n 
A 1 183 ASP 183 181 ?   ?   ?   A . n 
A 1 184 GLU 184 182 ?   ?   ?   A . n 
A 1 185 GLN 185 183 ?   ?   ?   A . n 
A 1 186 LEU 186 184 ?   ?   ?   A . n 
A 1 187 GLU 187 185 ?   ?   ?   A . n 
A 1 188 HIS 188 186 ?   ?   ?   A . n 
A 1 189 HIS 189 187 ?   ?   ?   A . n 
A 1 190 HIS 190 188 ?   ?   ?   A . n 
A 1 191 HIS 191 189 ?   ?   ?   A . n 
A 1 192 HIS 192 190 ?   ?   ?   A . n 
A 1 193 HIS 193 191 ?   ?   ?   A . n 
B 1 1   MET 1   -1  ?   ?   ?   B . n 
B 1 2   GLY 2   0   ?   ?   ?   B . n 
B 1 3   GLY 3   1   ?   ?   ?   B . n 
B 1 4   PRO 4   2   2   PRO PRO B . n 
B 1 5   ALA 5   3   3   ALA ALA B . n 
B 1 6   PHE 6   4   4   PHE PHE B . n 
B 1 7   GLU 7   5   5   GLU GLU B . n 
B 1 8   PHE 8   6   6   PHE PHE B . n 
B 1 9   ALA 9   7   7   ALA ALA B . n 
B 1 10  VAL 10  8   8   VAL VAL B . n 
B 1 11  ALA 11  9   9   ALA ALA B . n 
B 1 12  MET 12  10  10  MET MET B . n 
B 1 13  MET 13  11  11  MET MET B . n 
B 1 14  LYS 14  12  12  LYS LYS B . n 
B 1 15  ARG 15  13  13  ARG ARG B . n 
B 1 16  ASN 16  14  14  ASN ASN B . n 
B 1 17  SER 17  15  15  SER SER B . n 
B 1 18  SER 18  16  16  SER SER B . n 
B 1 19  THR 19  17  17  THR THR B . n 
B 1 20  VAL 20  18  18  VAL VAL B . n 
B 1 21  LYS 21  19  19  LYS LYS B . n 
B 1 22  THR 22  20  20  THR THR B . n 
B 1 23  GLU 23  21  21  GLU GLU B . n 
B 1 24  TYR 24  22  22  TYR TYR B . n 
B 1 25  GLY 25  23  23  GLY GLY B . n 
B 1 26  GLU 26  24  24  GLU GLU B . n 
B 1 27  PHE 27  25  25  PHE PHE B . n 
B 1 28  THR 28  26  26  THR THR B . n 
B 1 29  MET 29  27  27  MET MET B . n 
B 1 30  LEU 30  28  28  LEU LEU B . n 
B 1 31  GLY 31  29  29  GLY GLY B . n 
B 1 32  ILE 32  30  30  ILE ILE B . n 
B 1 33  TYR 33  31  31  TYR TYR B . n 
B 1 34  ASP 34  32  32  ASP ASP B . n 
B 1 35  ARG 35  33  33  ARG ARG B . n 
B 1 36  TRP 36  34  34  TRP TRP B . n 
B 1 37  ALA 37  35  35  ALA ALA B . n 
B 1 38  VAL 38  36  36  VAL VAL B . n 
B 1 39  LEU 39  37  37  LEU LEU B . n 
B 1 40  PRO 40  38  38  PRO PRO B . n 
B 1 41  ARG 41  39  39  ARG ARG B . n 
B 1 42  HIS 42  40  40  HIS HIS B . n 
B 1 43  ALA 43  41  41  ALA ALA B . n 
B 1 44  LYS 44  42  42  LYS LYS B . n 
B 1 45  PRO 45  43  43  PRO PRO B . n 
B 1 46  GLY 46  44  44  GLY GLY B . n 
B 1 47  PRO 47  45  45  PRO PRO B . n 
B 1 48  THR 48  46  46  THR THR B . n 
B 1 49  ILE 49  47  47  ILE ILE B . n 
B 1 50  LEU 50  48  48  LEU LEU B . n 
B 1 51  MET 51  49  49  MET MET B . n 
B 1 52  ASN 52  50  50  ASN ASN B . n 
B 1 53  ASP 53  51  51  ASP ASP B . n 
B 1 54  GLN 54  52  52  GLN GLN B . n 
B 1 55  GLU 55  53  53  GLU GLU B . n 
B 1 56  VAL 56  54  54  VAL VAL B . n 
B 1 57  ALA 57  55  55  ALA ALA B . n 
B 1 58  VAL 58  56  56  VAL VAL B . n 
B 1 59  LEU 59  57  57  LEU LEU B . n 
B 1 60  ALA 60  58  58  ALA ALA B . n 
B 1 61  ALA 61  59  59  ALA ALA B . n 
B 1 62  LYS 62  60  60  LYS LYS B . n 
B 1 63  GLU 63  61  61  GLU GLU B . n 
B 1 64  LEU 64  62  62  LEU LEU B . n 
B 1 65  ALA 65  63  63  ALA ALA B . n 
B 1 66  ASP 66  64  64  ASP ASP B . n 
B 1 67  LYS 67  65  65  LYS LYS B . n 
B 1 68  ASP 68  66  66  ASP ASP B . n 
B 1 69  GLY 69  67  67  GLY GLY B . n 
B 1 70  THR 70  68  68  THR THR B . n 
B 1 71  ASN 71  69  69  ASN ASN B . n 
B 1 72  LEU 72  70  70  LEU LEU B . n 
B 1 73  GLU 73  71  71  GLU GLU B . n 
B 1 74  LEU 74  72  72  LEU LEU B . n 
B 1 75  THR 75  73  73  THR THR B . n 
B 1 76  LEU 76  74  74  LEU LEU B . n 
B 1 77  LEU 77  75  75  LEU LEU B . n 
B 1 78  LYS 78  76  76  LYS LYS B . n 
B 1 79  LEU 79  77  77  LEU LEU B . n 
B 1 80  ASN 80  78  78  ASN ASN B . n 
B 1 81  ARG 81  79  79  ARG ARG B . n 
B 1 82  ASN 82  80  80  ASN ASN B . n 
B 1 83  GLU 83  81  81  GLU GLU B . n 
B 1 84  LYS 84  82  82  LYS LYS B . n 
B 1 85  PHE 85  83  83  PHE PHE B . n 
B 1 86  ARG 86  84  84  ARG ARG B . n 
B 1 87  ASP 87  85  85  ASP ASP B . n 
B 1 88  ILE 88  86  86  ILE ILE B . n 
B 1 89  ARG 89  87  87  ARG ARG B . n 
B 1 90  GLY 90  88  88  GLY GLY B . n 
B 1 91  PHE 91  89  89  PHE PHE B . n 
B 1 92  LEU 92  90  90  LEU LEU B . n 
B 1 93  ALA 93  91  91  ALA ALA B . n 
B 1 94  LYS 94  92  92  LYS LYS B . n 
B 1 95  GLU 95  93  93  GLU GLU B . n 
B 1 96  GLU 96  94  94  GLU GLU B . n 
B 1 97  VAL 97  95  95  VAL VAL B . n 
B 1 98  GLU 98  96  96  GLU GLU B . n 
B 1 99  VAL 99  97  97  VAL VAL B . n 
B 1 100 ASN 100 98  98  ASN ASN B . n 
B 1 101 GLU 101 99  99  GLU GLU B . n 
B 1 102 ALA 102 100 100 ALA ALA B . n 
B 1 103 VAL 103 101 101 VAL VAL B . n 
B 1 104 LEU 104 102 102 LEU LEU B . n 
B 1 105 ALA 105 103 103 ALA ALA B . n 
B 1 106 ILE 106 104 104 ILE ILE B . n 
B 1 107 ASN 107 105 105 ASN ASN B . n 
B 1 108 THR 108 106 106 THR THR B . n 
B 1 109 SER 109 107 107 SER SER B . n 
B 1 110 LYS 110 108 108 LYS LYS B . n 
B 1 111 PHE 111 109 109 PHE PHE B . n 
B 1 112 PRO 112 110 110 PRO PRO B . n 
B 1 113 ASN 113 111 111 ASN ASN B . n 
B 1 114 MET 114 112 112 MET MET B . n 
B 1 115 TYR 115 113 113 TYR TYR B . n 
B 1 116 ILE 116 114 114 ILE ILE B . n 
B 1 117 PRO 117 115 115 PRO PRO B . n 
B 1 118 VAL 118 116 116 VAL VAL B . n 
B 1 119 GLY 119 117 117 GLY GLY B . n 
B 1 120 GLN 120 118 118 GLN GLN B . n 
B 1 121 VAL 121 119 119 VAL VAL B . n 
B 1 122 THR 122 120 120 THR THR B . n 
B 1 123 GLU 123 121 121 GLU GLU B . n 
B 1 124 TYR 124 122 122 TYR TYR B . n 
B 1 125 GLY 125 123 123 GLY GLY B . n 
B 1 126 PHE 126 124 124 PHE PHE B . n 
B 1 127 LEU 127 125 125 LEU LEU B . n 
B 1 128 ASN 128 126 126 ASN ASN B . n 
B 1 129 LEU 129 127 127 LEU LEU B . n 
B 1 130 GLY 130 128 128 GLY GLY B . n 
B 1 131 GLY 131 129 129 GLY GLY B . n 
B 1 132 THR 132 130 130 THR THR B . n 
B 1 133 PRO 133 131 131 PRO PRO B . n 
B 1 134 THR 134 132 132 THR THR B . n 
B 1 135 LYS 135 133 133 LYS LYS B . n 
B 1 136 ARG 136 134 134 ARG ARG B . n 
B 1 137 MET 137 135 135 MET MET B . n 
B 1 138 LEU 138 136 136 LEU LEU B . n 
B 1 139 MET 139 137 137 MET MET B . n 
B 1 140 TYR 140 138 138 TYR TYR B . n 
B 1 141 ASN 141 139 139 ASN ASN B . n 
B 1 142 PHE 142 140 140 PHE PHE B . n 
B 1 143 PRO 143 141 141 PRO PRO B . n 
B 1 144 THR 144 142 142 THR THR B . n 
B 1 145 ARG 145 143 ?   ?   ?   B . n 
B 1 146 ALA 146 144 144 ALA ALA B . n 
B 1 147 GLY 147 145 145 GLY GLY B . n 
B 1 148 GLN 148 146 146 GLN GLN B . n 
B 1 149 ALA 149 147 147 ALA ALA B . n 
B 1 150 GLY 150 148 148 GLY GLY B . n 
B 1 151 GLY 151 149 149 GLY GLY B . n 
B 1 152 VAL 152 150 150 VAL VAL B . n 
B 1 153 LEU 153 151 151 LEU LEU B . n 
B 1 154 MET 154 152 152 MET MET B . n 
B 1 155 SER 155 153 153 SER SER B . n 
B 1 156 THR 156 154 154 THR THR B . n 
B 1 157 GLY 157 155 155 GLY GLY B . n 
B 1 158 LYS 158 156 156 LYS LYS B . n 
B 1 159 VAL 159 157 157 VAL VAL B . n 
B 1 160 LEU 160 158 158 LEU LEU B . n 
B 1 161 GLY 161 159 159 GLY GLY B . n 
B 1 162 ILE 162 160 160 ILE ILE B . n 
B 1 163 HIS 163 161 161 HIS HIS B . n 
B 1 164 VAL 164 162 162 VAL VAL B . n 
B 1 165 GLY 165 163 163 GLY GLY B . n 
B 1 166 GLY 166 164 164 GLY GLY B . n 
B 1 167 ASN 167 165 165 ASN ASN B . n 
B 1 168 GLY 168 166 166 GLY GLY B . n 
B 1 169 HIS 169 167 167 HIS HIS B . n 
B 1 170 GLN 170 168 168 GLN GLN B . n 
B 1 171 GLY 171 169 169 GLY GLY B . n 
B 1 172 PHE 172 170 170 PHE PHE B . n 
B 1 173 SER 173 171 171 SER SER B . n 
B 1 174 ALA 174 172 172 ALA ALA B . n 
B 1 175 ALA 175 173 173 ALA ALA B . n 
B 1 176 LEU 176 174 174 LEU LEU B . n 
B 1 177 LEU 177 175 175 LEU LEU B . n 
B 1 178 LYS 178 176 176 LYS LYS B . n 
B 1 179 HIS 179 177 177 HIS HIS B . n 
B 1 180 TYR 180 178 178 TYR TYR B . n 
B 1 181 PHE 181 179 179 PHE PHE B . n 
B 1 182 ASN 182 180 180 ASN ASN B . n 
B 1 183 ASP 183 181 ?   ?   ?   B . n 
B 1 184 GLU 184 182 ?   ?   ?   B . n 
B 1 185 GLN 185 183 ?   ?   ?   B . n 
B 1 186 LEU 186 184 ?   ?   ?   B . n 
B 1 187 GLU 187 185 ?   ?   ?   B . n 
B 1 188 HIS 188 186 ?   ?   ?   B . n 
B 1 189 HIS 189 187 ?   ?   ?   B . n 
B 1 190 HIS 190 188 ?   ?   ?   B . n 
B 1 191 HIS 191 189 ?   ?   ?   B . n 
B 1 192 HIS 192 190 ?   ?   ?   B . n 
B 1 193 HIS 193 191 ?   ?   ?   B . n 
C 2 1   G   1   0   ?   ?   ?   C . n 
C 2 2   G   2   1   1   G   G   C . n 
C 2 3   U   3   2   2   U   U   C . n 
C 2 4   A   4   3   3   A   A   C . n 
C 2 5   A   5   4   4   A   A   C . n 
C 2 6   A   6   5   5   A   A   C . n 
C 2 7   A   7   6   6   A   A   C . n 
C 2 8   C   8   7   7   C   C   C . n 
C 2 9   A   9   8   8   A   A   C . n 
C 2 10  G   10  9   9   G   G   C . n 
C 2 11  C   11  10  10  C   C   C . n 
C 2 12  C   12  11  11  C   C   C . n 
C 2 13  U   13  12  12  U   U   C . n 
C 2 14  G   14  13  13  G   G   C . n 
C 2 15  U   15  14  ?   ?   ?   C . n 
C 2 16  G   16  15  ?   ?   ?   C . n 
C 2 17  G   17  16  ?   ?   ?   C . n 
C 2 18  G   18  17  ?   ?   ?   C . n 
C 2 19  U   19  18  ?   ?   ?   C . n 
C 2 20  U   20  19  ?   ?   ?   C . n 
C 2 21  G   21  20  ?   ?   ?   C . n 
C 2 22  A   22  21  ?   ?   ?   C . n 
C 2 23  U   23  22  ?   ?   ?   C . n 
C 2 24  C   24  23  ?   ?   ?   C . n 
C 2 25  C   25  24  ?   ?   ?   C . n 
C 2 26  C   26  25  ?   ?   ?   C . n 
C 2 27  A   27  26  26  A   A   C . n 
C 2 28  C   28  27  27  C   C   C . n 
C 2 29  C   29  28  28  C   C   C . n 
C 2 30  C   30  29  29  C   C   C . n 
C 2 31  A   31  30  30  A   A   C . n 
C 2 32  C   32  31  31  C   C   C . n 
C 2 33  A   33  32  32  A   A   C . n 
C 2 34  G   34  33  33  G   G   C . n 
C 2 35  G   35  34  34  G   G   C . n 
C 2 36  G   36  35  35  G   G   C . n 
C 2 37  C   37  36  36  C   C   C . n 
C 2 38  C   38  37  37  C   C   C . n 
C 2 39  C   39  38  38  C   C   C . n 
C 2 40  A   40  39  39  A   A   C . n 
C 2 41  U   41  40  40  U   U   C . n 
C 2 42  U   42  41  41  U   U   C . n 
C 2 43  G   43  42  42  G   G   C . n 
C 2 44  G   44  43  43  G   G   C . n 
C 2 45  G   45  44  44  G   G   C . n 
C 2 46  C   46  45  45  C   C   C . n 
C 2 47  G   47  46  46  G   G   C . n 
C 2 48  C   48  47  47  C   C   C . n 
C 2 49  U   49  48  48  U   U   C . n 
C 2 50  A   50  49  49  A   A   C . n 
C 2 51  G   51  50  50  G   G   C . n 
C 2 52  C   52  51  51  C   C   C . n 
C 2 53  A   53  52  52  A   A   C . n 
C 2 54  C   54  53  53  C   C   C . n 
C 2 55  U   55  54  54  U   U   C . n 
C 2 56  C   56  55  55  C   C   C . n 
C 2 57  U   57  56  56  U   U   C . n 
C 2 58  G   58  57  57  G   G   C . n 
C 2 59  G   59  58  58  G   G   C . n 
C 2 60  U   60  59  59  U   U   C . n 
C 2 61  A   61  60  60  A   A   C . n 
C 2 62  U   62  61  61  U   U   C . n 
C 2 63  C   63  62  62  C   C   C . n 
C 2 64  A   64  63  63  A   A   C . n 
C 2 65  C   65  64  64  C   C   C . n 
C 2 66  G   66  65  65  G   G   C . n 
C 2 67  G   67  66  66  G   G   C . n 
C 2 68  U   68  67  67  U   U   C . n 
C 2 69  A   69  68  68  A   A   C . n 
C 2 70  C   70  69  69  C   C   C . n 
C 2 71  C   71  70  70  C   C   C . n 
C 2 72  U   72  71  71  U   U   C . n 
C 2 73  U   73  72  72  U   U   C . n 
C 2 74  U   74  73  73  U   U   C . n 
C 2 75  G   75  74  74  G   G   C . n 
C 2 76  U   76  75  75  U   U   C . n 
C 2 77  G   77  76  76  G   G   C . n 
C 2 78  C   78  77  77  C   C   C . n 
C 2 79  G   79  78  78  G   G   C . n 
C 2 80  C   80  79  79  C   C   C . n 
C 2 81  C   81  80  80  C   C   C . n 
C 2 82  U   82  81  81  U   U   C . n 
C 2 83  G   83  82  82  G   G   C . n 
C 2 84  U   84  83  83  U   U   C . n 
C 2 85  U   85  84  84  U   U   C . n 
C 2 86  U   86  85  85  U   U   C . n 
C 2 87  U   87  86  86  U   U   C . n 
C 2 88  A   88  87  87  A   A   C . n 
C 2 89  C   89  88  88  C   C   C . n 
C 2 90  C   90  89  89  C   C   C . n 
# 
loop_
_pdbx_nonpoly_scheme.asym_id 
_pdbx_nonpoly_scheme.entity_id 
_pdbx_nonpoly_scheme.mon_id 
_pdbx_nonpoly_scheme.ndb_seq_num 
_pdbx_nonpoly_scheme.pdb_seq_num 
_pdbx_nonpoly_scheme.auth_seq_num 
_pdbx_nonpoly_scheme.pdb_mon_id 
_pdbx_nonpoly_scheme.auth_mon_id 
_pdbx_nonpoly_scheme.pdb_strand_id 
_pdbx_nonpoly_scheme.pdb_ins_code 
D 3 HOH 1 201 8  HOH HOH A . 
D 3 HOH 2 202 2  HOH HOH A . 
D 3 HOH 3 203 11 HOH HOH A . 
E 3 HOH 1 201 14 HOH HOH B . 
E 3 HOH 2 202 13 HOH HOH B . 
E 3 HOH 3 203 4  HOH HOH B . 
E 3 HOH 4 204 12 HOH HOH B . 
E 3 HOH 5 205 5  HOH HOH B . 
E 3 HOH 6 206 10 HOH HOH B . 
E 3 HOH 7 207 15 HOH HOH B . 
F 3 HOH 1 101 17 HOH HOH C . 
F 3 HOH 2 102 16 HOH HOH C . 
# 
loop_
_software.citation_id 
_software.classification 
_software.compiler_name 
_software.compiler_version 
_software.contact_author 
_software.contact_author_email 
_software.date 
_software.description 
_software.dependencies 
_software.hardware 
_software.language 
_software.location 
_software.mods 
_software.name 
_software.os 
_software.os_version 
_software.type 
_software.version 
_software.pdbx_ordinal 
? refinement       ? ? ? ? ? ? ? ? ? ? ? PHENIX   ? ? ? '(1.19_4092: ???)' 1 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? HKL-2000 ? ? ? .                  2 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? HKL-2000 ? ? ? .                  3 
? phasing          ? ? ? ? ? ? ? ? ? ? ? PHENIX   ? ? ? 1.21.1_5286        4 
# 
_cell.angle_alpha                  90.00 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   90.00 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  90.00 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     9DCF 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     91.018 
_cell.length_a_esd                 ? 
_cell.length_b                     200.821 
_cell.length_b_esd                 ? 
_cell.length_c                     71.115 
_cell.length_c_esd                 ? 
_cell.volume                       ? 
_cell.volume_esd                   ? 
_cell.Z_PDB                        8 
_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                         9DCF 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                18 
_symmetry.space_group_name_Hall            ? 
_symmetry.space_group_name_H-M             'P 21 21 2' 
_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                   9DCF 
_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             4.79 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          74.31 
_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              6.0 
_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    '8% v/v Tacsimate, pH 6.0, 25% w/v PEG3350' 
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            293.15 
# 
_diffrn.ambient_environment              ? 
_diffrn.ambient_temp                     100 
_diffrn.ambient_temp_details             ? 
_diffrn.ambient_temp_esd                 ? 
_diffrn.crystal_id                       1 
_diffrn.crystal_support                  ? 
_diffrn.crystal_treatment                ? 
_diffrn.details                          ? 
_diffrn.id                               1 
_diffrn.ambient_pressure                 ? 
_diffrn.ambient_pressure_esd             ? 
_diffrn.ambient_pressure_gt              ? 
_diffrn.ambient_pressure_lt              ? 
_diffrn.ambient_temp_gt                  ? 
_diffrn.ambient_temp_lt                  ? 
_diffrn.pdbx_serial_crystal_experiment   N 
# 
_diffrn_detector.details                      ? 
_diffrn_detector.detector                     PIXEL 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         'DECTRIS PILATUS3 2M' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2024-04-04 
_diffrn_detector.pdbx_frequency               ? 
_diffrn_detector.id                           ? 
_diffrn_detector.number_of_axes               ? 
# 
_diffrn_radiation.collimation                      ? 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.filter_edge                      ? 
_diffrn_radiation.inhomogeneity                    ? 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.polarisn_norm                    ? 
_diffrn_radiation.polarisn_ratio                   ? 
_diffrn_radiation.probe                            ? 
_diffrn_radiation.type                             ? 
_diffrn_radiation.xray_symbol                      ? 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   M 
_diffrn_radiation.pdbx_wavelength_list             ? 
_diffrn_radiation.pdbx_wavelength                  ? 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_analyzer                    ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   1.00003 
_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 8.2.2' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        1.00003 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   8.2.2 
_diffrn_source.pdbx_synchrotron_site       ALS 
# 
_reflns.B_iso_Wilson_estimate                          ? 
_reflns.entry_id                                       9DCF 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              2.87 
_reflns.d_resolution_low                               48.93 
_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                                     29950 
_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                           98.8 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                11 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          5.0 
_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                                0.337 
_reflns.pdbx_Rpim_I_all                                0.098 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       ? 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   0.947 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              ? 
_reflns.pdbx_Rmerge_I_all                              ? 
_reflns.pdbx_Rsym_value                                ? 
_reflns.pdbx_CC_split_method                           ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_1                 ? 
_reflns.pdbx_aniso_diffraction_limit_2                 ? 
_reflns.pdbx_aniso_diffraction_limit_3                 ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_1               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_2               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_3               ? 
_reflns.pdbx_orthogonalization_convention              ? 
_reflns.pdbx_percent_possible_ellipsoidal              ? 
_reflns.pdbx_percent_possible_spherical                ? 
_reflns.pdbx_percent_possible_ellipsoidal_anomalous    ? 
_reflns.pdbx_percent_possible_spherical_anomalous      ? 
_reflns.pdbx_redundancy_anomalous                      ? 
_reflns.pdbx_CC_half_anomalous                         ? 
_reflns.pdbx_absDiff_over_sigma_anomalous              ? 
_reflns.pdbx_percent_possible_anomalous                ? 
_reflns.pdbx_observed_signal_threshold                 ? 
_reflns.pdbx_signal_type                               ? 
_reflns.pdbx_signal_details                            ? 
_reflns.pdbx_signal_software_id                        ? 
# 
_reflns_shell.d_res_high                                    2.87 
_reflns_shell.d_res_low                                     2.95 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           1.0 
_reflns_shell.number_measured_all                           ? 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             1384 
_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                               ? 
_reflns_shell.pdbx_chi_squared                              ? 
_reflns_shell.pdbx_netI_over_sigmaI_all                     ? 
_reflns_shell.pdbx_netI_over_sigmaI_obs                     ? 
_reflns_shell.pdbx_Rrim_I_all                               ? 
_reflns_shell.pdbx_Rpim_I_all                               0.833 
_reflns_shell.pdbx_rejects                                  ? 
_reflns_shell.pdbx_ordinal                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  0.661 
_reflns_shell.pdbx_CC_star                                  ? 
_reflns_shell.pdbx_R_split                                  ? 
_reflns_shell.percent_possible_all                          ? 
_reflns_shell.Rmerge_I_all                                  ? 
_reflns_shell.Rmerge_I_obs                                  ? 
_reflns_shell.pdbx_Rsym_value                               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal             ? 
_reflns_shell.pdbx_percent_possible_spherical               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal_anomalous   ? 
_reflns_shell.pdbx_percent_possible_spherical_anomalous     ? 
_reflns_shell.pdbx_redundancy_anomalous                     ? 
_reflns_shell.pdbx_CC_half_anomalous                        ? 
_reflns_shell.pdbx_absDiff_over_sigma_anomalous             ? 
_reflns_shell.pdbx_percent_possible_anomalous               ? 
# 
_refine.aniso_B[1][1]                            ? 
_refine.aniso_B[1][2]                            ? 
_refine.aniso_B[1][3]                            ? 
_refine.aniso_B[2][2]                            ? 
_refine.aniso_B[2][3]                            ? 
_refine.aniso_B[3][3]                            ? 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               ? 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               ? 
_refine.correlation_coeff_Fo_to_Fc_free          ? 
_refine.details                                  ? 
_refine.diff_density_max                         ? 
_refine.diff_density_max_esd                     ? 
_refine.diff_density_min                         ? 
_refine.diff_density_min_esd                     ? 
_refine.diff_density_rms                         ? 
_refine.diff_density_rms_esd                     ? 
_refine.entry_id                                 9DCF 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_abs_structure_details                 ? 
_refine.ls_abs_structure_Flack                   ? 
_refine.ls_abs_structure_Flack_esd               ? 
_refine.ls_abs_structure_Rogers                  ? 
_refine.ls_abs_structure_Rogers_esd              ? 
_refine.ls_d_res_high                            2.87 
_refine.ls_d_res_low                             48.93 
_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                     22756 
_refine.ls_number_reflns_R_free                  1534 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    74.68 
_refine.ls_percent_reflns_R_free                 6.74 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.2394 
_refine.ls_R_factor_R_free                       0.2733 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.2369 
_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                          1.58 
_refine.pdbx_ls_sigma_Fsqd                       ? 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.pdbx_ls_cross_valid_method               'FREE R-VALUE' 
_refine.pdbx_method_to_determine_struct          'MOLECULAR REPLACEMENT' 
_refine.pdbx_starting_model                      ? 
_refine.pdbx_stereochemistry_target_values       ML 
_refine.pdbx_R_Free_selection_details            ? 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_overall_ESU_R                       ? 
_refine.pdbx_overall_ESU_R_Free                  ? 
_refine.pdbx_solvent_vdw_probe_radii             1.11 
_refine.pdbx_solvent_ion_probe_radii             ? 
_refine.pdbx_solvent_shrinkage_radii             0.90 
_refine.pdbx_real_space_R                        ? 
_refine.pdbx_density_correlation                 ? 
_refine.pdbx_pd_number_of_powder_patterns        ? 
_refine.pdbx_pd_number_of_points                 ? 
_refine.pdbx_pd_meas_number_of_points            ? 
_refine.pdbx_pd_proc_ls_prof_R_factor            ? 
_refine.pdbx_pd_proc_ls_prof_wR_factor           ? 
_refine.pdbx_pd_Marquardt_correlation_coeff      ? 
_refine.pdbx_pd_Fsqrd_R_factor                   ? 
_refine.pdbx_pd_ls_matrix_band_width             ? 
_refine.pdbx_overall_phase_error                 31.20 
_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                            0.33 
_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                       2.87 
_refine_hist.d_res_low                        48.93 
_refine_hist.number_atoms_solvent             12 
_refine_hist.number_atoms_total               4410 
_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        2771 
_refine_hist.pdbx_number_atoms_nucleic_acid   1627 
_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' ? 0.009  ? 4641 ? f_bond_d           ? ? 
'X-RAY DIFFRACTION' ? 1.282  ? 6633 ? f_angle_d          ? ? 
'X-RAY DIFFRACTION' ? 14.926 ? 1300 ? f_dihedral_angle_d ? ? 
'X-RAY DIFFRACTION' ? 0.056  ? 806  ? f_chiral_restr     ? ? 
'X-RAY DIFFRACTION' ? 0.011  ? 570  ? f_plane_restr      ? ? 
# 
loop_
_refine_ls_shell.pdbx_refine_id 
_refine_ls_shell.d_res_high 
_refine_ls_shell.d_res_low 
_refine_ls_shell.number_reflns_all 
_refine_ls_shell.number_reflns_obs 
_refine_ls_shell.number_reflns_R_free 
_refine_ls_shell.number_reflns_R_work 
_refine_ls_shell.percent_reflns_obs 
_refine_ls_shell.percent_reflns_R_free 
_refine_ls_shell.R_factor_all 
_refine_ls_shell.R_factor_obs 
_refine_ls_shell.R_factor_R_free_error 
_refine_ls_shell.R_factor_R_work 
_refine_ls_shell.redundancy_reflns_all 
_refine_ls_shell.redundancy_reflns_obs 
_refine_ls_shell.wR_factor_all 
_refine_ls_shell.wR_factor_obs 
_refine_ls_shell.wR_factor_R_free 
_refine_ls_shell.wR_factor_R_work 
_refine_ls_shell.pdbx_R_complete 
_refine_ls_shell.pdbx_total_number_of_bins_used 
_refine_ls_shell.pdbx_phase_error 
_refine_ls_shell.pdbx_fsc_work 
_refine_ls_shell.pdbx_fsc_free 
_refine_ls_shell.R_factor_R_free 
'X-RAY DIFFRACTION' 2.88 2.97  . . 64  878  34.00 . . . . 0.3167 . . . . . . . . . . . 0.3342 
'X-RAY DIFFRACTION' 2.97 3.07  . . 83  1243 49.00 . . . . 0.2853 . . . . . . . . . . . 0.3471 
'X-RAY DIFFRACTION' 3.07 3.20  . . 105 1512 59.00 . . . . 0.2840 . . . . . . . . . . . 0.3230 
'X-RAY DIFFRACTION' 3.20 3.34  . . 136 1761 70.00 . . . . 0.2657 . . . . . . . . . . . 0.3399 
'X-RAY DIFFRACTION' 3.34 3.52  . . 148 1953 76.00 . . . . 0.2594 . . . . . . . . . . . 0.3627 
'X-RAY DIFFRACTION' 3.52 3.74  . . 152 2097 82.00 . . . . 0.2508 . . . . . . . . . . . 0.2877 
'X-RAY DIFFRACTION' 3.74 4.03  . . 140 1986 78.00 . . . . 0.2278 . . . . . . . . . . . 0.2844 
'X-RAY DIFFRACTION' 4.03 4.43  . . 164 2209 85.00 . . . . 0.1974 . . . . . . . . . . . 0.2179 
'X-RAY DIFFRACTION' 4.43 5.07  . . 169 2368 91.00 . . . . 0.1891 . . . . . . . . . . . 0.2278 
'X-RAY DIFFRACTION' 5.07 6.39  . . 182 2509 95.00 . . . . 0.2366 . . . . . . . . . . . 0.2571 
'X-RAY DIFFRACTION' 6.39 48.93 . . 191 2706 98.00 . . . . 0.2483 . . . . . . . . . . . 0.2584 
# 
_struct.entry_id                     9DCF 
_struct.title                        'Structure of Coxsackievirus B3 cloverleaf RNA in complex with 3Cpro dimer' 
_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        9DCF 
_struct_keywords.text            
'enterovirus 3Cpro, cloverleaf RNA, coxsackievirus, protein-RNA complex, RNA BINDING PROTEIN-RNA complex' 
_struct_keywords.pdbx_keywords   'RNA BINDING PROTEIN/RNA' 
# 
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 3 ? 
F N N 3 ? 
# 
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 POLG_CXB3N P03313 ? 1 
;GPAFEFAVAMMKRNSSTVKTEYGEFTMLGIYDRWAVLPRHAKPGPTILMNDQEVGVLDAKELVDKDGTNLELTLLKLNRN
EKFRDIRGFLAKEEVEVNEAVLAINTSKFPNMYIPVGQVTEYGFLNLGGTPTKRMLMYNFPTRAGQCGGVLMSTGKVLGI
HVGGNGHQGFSAALLKHYFNDEQ
;
1541 
2 PDB 9DCF       9DCF   ? 2 ? 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 9DCF A 3 ? 185 ? P03313 1541 ? 1723 ? 1 183 
2 1 9DCF B 3 ? 185 ? P03313 1541 ? 1723 ? 1 183 
3 2 9DCF C 1 ? 90  ? 9DCF   0    ? 89   ? 0 89  
# 
loop_
_struct_ref_seq_dif.align_id 
_struct_ref_seq_dif.pdbx_pdb_id_code 
_struct_ref_seq_dif.mon_id 
_struct_ref_seq_dif.pdbx_pdb_strand_id 
_struct_ref_seq_dif.seq_num 
_struct_ref_seq_dif.pdbx_pdb_ins_code 
_struct_ref_seq_dif.pdbx_seq_db_name 
_struct_ref_seq_dif.pdbx_seq_db_accession_code 
_struct_ref_seq_dif.db_mon_id 
_struct_ref_seq_dif.pdbx_seq_db_seq_num 
_struct_ref_seq_dif.details 
_struct_ref_seq_dif.pdbx_auth_seq_num 
_struct_ref_seq_dif.pdbx_ordinal 
1 9DCF MET A 1   ? UNP P03313 ?   ?    'expression tag'      -1  1  
1 9DCF GLY A 2   ? UNP P03313 ?   ?    'expression tag'      0   2  
1 9DCF ALA A 57  ? UNP P03313 GLY 1595 'engineered mutation' 55  3  
1 9DCF ALA A 60  ? UNP P03313 ASP 1598 'engineered mutation' 58  4  
1 9DCF ALA A 65  ? UNP P03313 VAL 1603 'engineered mutation' 63  5  
1 9DCF ALA A 149 ? UNP P03313 CYS 1687 'engineered mutation' 147 6  
1 9DCF LEU A 186 ? UNP P03313 ?   ?    'expression tag'      184 7  
1 9DCF GLU A 187 ? UNP P03313 ?   ?    'expression tag'      185 8  
1 9DCF HIS A 188 ? UNP P03313 ?   ?    'expression tag'      186 9  
1 9DCF HIS A 189 ? UNP P03313 ?   ?    'expression tag'      187 10 
1 9DCF HIS A 190 ? UNP P03313 ?   ?    'expression tag'      188 11 
1 9DCF HIS A 191 ? UNP P03313 ?   ?    'expression tag'      189 12 
1 9DCF HIS A 192 ? UNP P03313 ?   ?    'expression tag'      190 13 
1 9DCF HIS A 193 ? UNP P03313 ?   ?    'expression tag'      191 14 
2 9DCF MET B 1   ? UNP P03313 ?   ?    'expression tag'      -1  15 
2 9DCF GLY B 2   ? UNP P03313 ?   ?    'expression tag'      0   16 
2 9DCF ALA B 57  ? UNP P03313 GLY 1595 'engineered mutation' 55  17 
2 9DCF ALA B 60  ? UNP P03313 ASP 1598 'engineered mutation' 58  18 
2 9DCF ALA B 65  ? UNP P03313 VAL 1603 'engineered mutation' 63  19 
2 9DCF ALA B 149 ? UNP P03313 CYS 1687 'engineered mutation' 147 20 
2 9DCF LEU B 186 ? UNP P03313 ?   ?    'expression tag'      184 21 
2 9DCF GLU B 187 ? UNP P03313 ?   ?    'expression tag'      185 22 
2 9DCF HIS B 188 ? UNP P03313 ?   ?    'expression tag'      186 23 
2 9DCF HIS B 189 ? UNP P03313 ?   ?    'expression tag'      187 24 
2 9DCF HIS B 190 ? UNP P03313 ?   ?    'expression tag'      188 25 
2 9DCF HIS B 191 ? UNP P03313 ?   ?    'expression tag'      189 26 
2 9DCF HIS B 192 ? UNP P03313 ?   ?    'expression tag'      190 27 
2 9DCF HIS B 193 ? UNP P03313 ?   ?    'expression tag'      191 28 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_and_software_defined_assembly 
_pdbx_struct_assembly.method_details       PISA 
_pdbx_struct_assembly.oligomeric_details   trimeric 
_pdbx_struct_assembly.oligomeric_count     3 
# 
loop_
_pdbx_struct_assembly_prop.biol_id 
_pdbx_struct_assembly_prop.type 
_pdbx_struct_assembly_prop.value 
_pdbx_struct_assembly_prop.details 
1 'ABSA (A^2)' 3190  ? 
1 MORE         -26   ? 
1 'SSA (A^2)'  27980 ? 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C,D,E,F 
# 
_pdbx_struct_assembly_auth_evidence.id                     1 
_pdbx_struct_assembly_auth_evidence.assembly_id            1 
_pdbx_struct_assembly_auth_evidence.experimental_support   'assay for oligomerization' 
_pdbx_struct_assembly_auth_evidence.details                EMSA 
# 
_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 GLY A 3   ? ASN A 16  ? GLY A 1   ASN A 14  1 ? 14 
HELX_P HELX_P2 AA2 HIS A 42  ? LYS A 44  ? HIS A 40  LYS A 42  5 ? 3  
HELX_P HELX_P3 AA3 ILE A 88  ? LEU A 92  ? ILE A 86  LEU A 90  5 ? 5  
HELX_P HELX_P4 AA4 LEU A 177 ? PHE A 181 ? LEU A 175 PHE A 179 5 ? 5  
HELX_P HELX_P5 AA5 ALA B 5   ? ASN B 16  ? ALA B 3   ASN B 14  1 ? 12 
HELX_P HELX_P6 AA6 HIS B 42  ? LYS B 44  ? HIS B 40  LYS B 42  5 ? 3  
HELX_P HELX_P7 AA7 ASP B 87  ? LEU B 92  ? ASP B 85  LEU B 90  5 ? 6  
HELX_P HELX_P8 AA8 LEU B 177 ? PHE B 181 ? LEU B 175 PHE B 179 5 ? 5  
# 
_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 
hydrog1  hydrog ? ? C G 2  N1 ? ? ? 1_555 C C 89 N3 ? ? C G 1  C C 88 1_555 ? ? ? ? ? ? WATSON-CRICK  ? ? ? 
hydrog2  hydrog ? ? C G 2  N2 ? ? ? 1_555 C C 89 O2 ? ? C G 1  C C 88 1_555 ? ? ? ? ? ? WATSON-CRICK  ? ? ? 
hydrog3  hydrog ? ? C G 2  O6 ? ? ? 1_555 C C 89 N4 ? ? C G 1  C C 88 1_555 ? ? ? ? ? ? WATSON-CRICK  ? ? ? 
hydrog4  hydrog ? ? C A 4  N1 ? ? ? 1_555 C U 87 N3 ? ? C A 3  C U 86 1_555 ? ? ? ? ? ? WATSON-CRICK  ? ? ? 
hydrog5  hydrog ? ? C A 4  N6 ? ? ? 1_555 C U 87 O4 ? ? C A 3  C U 86 1_555 ? ? ? ? ? ? WATSON-CRICK  ? ? ? 
hydrog6  hydrog ? ? C A 5  N1 ? ? ? 1_555 C U 86 N3 ? ? C A 4  C U 85 1_555 ? ? ? ? ? ? WATSON-CRICK  ? ? ? 
hydrog7  hydrog ? ? C A 5  N6 ? ? ? 1_555 C U 86 O4 ? ? C A 4  C U 85 1_555 ? ? ? ? ? ? WATSON-CRICK  ? ? ? 
hydrog8  hydrog ? ? C A 6  N1 ? ? ? 1_555 C U 85 N3 ? ? C A 5  C U 84 1_555 ? ? ? ? ? ? WATSON-CRICK  ? ? ? 
hydrog9  hydrog ? ? C A 6  N6 ? ? ? 1_555 C U 85 O4 ? ? C A 5  C U 84 1_555 ? ? ? ? ? ? WATSON-CRICK  ? ? ? 
hydrog10 hydrog ? ? C A 7  N1 ? ? ? 1_555 C U 84 N3 ? ? C A 6  C U 83 1_555 ? ? ? ? ? ? 'A-U PAIR'    ? ? ? 
hydrog11 hydrog ? ? C C 8  N3 ? ? ? 1_555 C G 83 N1 ? ? C C 7  C G 82 1_555 ? ? ? ? ? ? WATSON-CRICK  ? ? ? 
hydrog12 hydrog ? ? C C 8  N4 ? ? ? 1_555 C G 83 O6 ? ? C C 7  C G 82 1_555 ? ? ? ? ? ? WATSON-CRICK  ? ? ? 
hydrog13 hydrog ? ? C C 8  O2 ? ? ? 1_555 C G 83 N2 ? ? C C 7  C G 82 1_555 ? ? ? ? ? ? WATSON-CRICK  ? ? ? 
hydrog14 hydrog ? ? C A 9  N1 ? ? ? 1_555 C U 82 N3 ? ? C A 8  C U 81 1_555 ? ? ? ? ? ? WATSON-CRICK  ? ? ? 
hydrog15 hydrog ? ? C A 9  N6 ? ? ? 1_555 C U 82 O4 ? ? C A 8  C U 81 1_555 ? ? ? ? ? ? WATSON-CRICK  ? ? ? 
hydrog16 hydrog ? ? C G 10 N1 ? ? ? 1_555 C U 82 O2 ? ? C G 9  C U 81 1_555 ? ? ? ? ? ? TYPE_28_PAIR  ? ? ? 
hydrog17 hydrog ? ? C G 10 O6 ? ? ? 1_555 C U 82 N3 ? ? C G 9  C U 81 1_555 ? ? ? ? ? ? TYPE_28_PAIR  ? ? ? 
hydrog18 hydrog ? ? C C 11 N3 ? ? ? 1_555 C G 35 N1 ? ? C C 10 C G 34 1_555 ? ? ? ? ? ? WATSON-CRICK  ? ? ? 
hydrog19 hydrog ? ? C C 11 N4 ? ? ? 1_555 C G 35 O6 ? ? C C 10 C G 34 1_555 ? ? ? ? ? ? WATSON-CRICK  ? ? ? 
hydrog20 hydrog ? ? C C 11 O2 ? ? ? 1_555 C G 35 N2 ? ? C C 10 C G 34 1_555 ? ? ? ? ? ? WATSON-CRICK  ? ? ? 
hydrog21 hydrog ? ? C C 12 N3 ? ? ? 1_555 C G 34 N1 ? ? C C 11 C G 33 1_555 ? ? ? ? ? ? WATSON-CRICK  ? ? ? 
hydrog22 hydrog ? ? C C 12 N4 ? ? ? 1_555 C G 34 O6 ? ? C C 11 C G 33 1_555 ? ? ? ? ? ? WATSON-CRICK  ? ? ? 
hydrog23 hydrog ? ? C C 12 O2 ? ? ? 1_555 C G 34 N2 ? ? C C 11 C G 33 1_555 ? ? ? ? ? ? WATSON-CRICK  ? ? ? 
hydrog24 hydrog ? ? C U 13 N3 ? ? ? 1_555 C A 33 N1 ? ? C U 12 C A 32 1_555 ? ? ? ? ? ? WATSON-CRICK  ? ? ? 
hydrog25 hydrog ? ? C U 13 O4 ? ? ? 1_555 C A 33 N6 ? ? C U 12 C A 32 1_555 ? ? ? ? ? ? WATSON-CRICK  ? ? ? 
hydrog26 hydrog ? ? C G 14 N1 ? ? ? 1_555 C C 32 N3 ? ? C G 13 C C 31 1_555 ? ? ? ? ? ? WATSON-CRICK  ? ? ? 
hydrog27 hydrog ? ? C G 14 N2 ? ? ? 1_555 C C 32 O2 ? ? C G 13 C C 31 1_555 ? ? ? ? ? ? WATSON-CRICK  ? ? ? 
hydrog28 hydrog ? ? C G 14 O6 ? ? ? 1_555 C C 32 N4 ? ? C G 13 C C 31 1_555 ? ? ? ? ? ? WATSON-CRICK  ? ? ? 
hydrog29 hydrog ? ? C G 36 N1 ? ? ? 1_555 C C 46 N3 ? ? C G 35 C C 45 1_555 ? ? ? ? ? ? WATSON-CRICK  ? ? ? 
hydrog30 hydrog ? ? C G 36 N2 ? ? ? 1_555 C C 46 O2 ? ? C G 35 C C 45 1_555 ? ? ? ? ? ? WATSON-CRICK  ? ? ? 
hydrog31 hydrog ? ? C G 36 O6 ? ? ? 1_555 C C 46 N4 ? ? C G 35 C C 45 1_555 ? ? ? ? ? ? WATSON-CRICK  ? ? ? 
hydrog32 hydrog ? ? C C 37 N3 ? ? ? 1_555 C G 45 N1 ? ? C C 36 C G 44 1_555 ? ? ? ? ? ? WATSON-CRICK  ? ? ? 
hydrog33 hydrog ? ? C C 37 N4 ? ? ? 1_555 C G 45 O6 ? ? C C 36 C G 44 1_555 ? ? ? ? ? ? WATSON-CRICK  ? ? ? 
hydrog34 hydrog ? ? C C 37 O2 ? ? ? 1_555 C G 45 N2 ? ? C C 36 C G 44 1_555 ? ? ? ? ? ? WATSON-CRICK  ? ? ? 
hydrog35 hydrog ? ? C C 38 N3 ? ? ? 1_555 C G 44 N1 ? ? C C 37 C G 43 1_555 ? ? ? ? ? ? WATSON-CRICK  ? ? ? 
hydrog36 hydrog ? ? C C 38 N4 ? ? ? 1_555 C G 44 O6 ? ? C C 37 C G 43 1_555 ? ? ? ? ? ? WATSON-CRICK  ? ? ? 
hydrog37 hydrog ? ? C C 38 O2 ? ? ? 1_555 C G 44 N2 ? ? C C 37 C G 43 1_555 ? ? ? ? ? ? WATSON-CRICK  ? ? ? 
hydrog38 hydrog ? ? C C 39 N3 ? ? ? 1_555 C G 43 N1 ? ? C C 38 C G 42 1_555 ? ? ? ? ? ? WATSON-CRICK  ? ? ? 
hydrog39 hydrog ? ? C C 39 N4 ? ? ? 1_555 C G 43 O6 ? ? C C 38 C G 42 1_555 ? ? ? ? ? ? WATSON-CRICK  ? ? ? 
hydrog40 hydrog ? ? C C 39 O2 ? ? ? 1_555 C G 43 N2 ? ? C C 38 C G 42 1_555 ? ? ? ? ? ? WATSON-CRICK  ? ? ? 
hydrog41 hydrog ? ? C A 40 N6 ? ? ? 1_555 C C 56 O2 ? ? C A 39 C C 55 1_555 ? ? ? ? ? ? 'A-C MISPAIR' ? ? ? 
hydrog42 hydrog ? ? C A 40 N6 ? ? ? 1_555 C U 73 O2 ? ? C A 39 C U 72 1_555 ? ? ? ? ? ? 'A-U PAIR'    ? ? ? 
hydrog43 hydrog ? ? C G 47 N1 ? ? ? 1_555 C C 80 N3 ? ? C G 46 C C 79 1_555 ? ? ? ? ? ? WATSON-CRICK  ? ? ? 
hydrog44 hydrog ? ? C G 47 N2 ? ? ? 1_555 C C 80 O2 ? ? C G 46 C C 79 1_555 ? ? ? ? ? ? WATSON-CRICK  ? ? ? 
hydrog45 hydrog ? ? C G 47 O6 ? ? ? 1_555 C C 80 N4 ? ? C G 46 C C 79 1_555 ? ? ? ? ? ? WATSON-CRICK  ? ? ? 
hydrog46 hydrog ? ? C C 48 N3 ? ? ? 1_555 C G 79 N1 ? ? C C 47 C G 78 1_555 ? ? ? ? ? ? WATSON-CRICK  ? ? ? 
hydrog47 hydrog ? ? C C 48 N4 ? ? ? 1_555 C G 79 O6 ? ? C C 47 C G 78 1_555 ? ? ? ? ? ? WATSON-CRICK  ? ? ? 
hydrog48 hydrog ? ? C C 48 O2 ? ? ? 1_555 C G 79 N2 ? ? C C 47 C G 78 1_555 ? ? ? ? ? ? WATSON-CRICK  ? ? ? 
hydrog49 hydrog ? ? C A 50 N3 ? ? ? 1_555 C G 79 N2 ? ? C A 49 C G 78 1_555 ? ? ? ? ? ? 'A-G MISPAIR' ? ? ? 
hydrog50 hydrog ? ? C G 51 N1 ? ? ? 1_555 C C 78 N3 ? ? C G 50 C C 77 1_555 ? ? ? ? ? ? WATSON-CRICK  ? ? ? 
hydrog51 hydrog ? ? C G 51 N2 ? ? ? 1_555 C C 78 O2 ? ? C G 50 C C 77 1_555 ? ? ? ? ? ? WATSON-CRICK  ? ? ? 
hydrog52 hydrog ? ? C G 51 O6 ? ? ? 1_555 C C 78 N4 ? ? C G 50 C C 77 1_555 ? ? ? ? ? ? WATSON-CRICK  ? ? ? 
hydrog53 hydrog ? ? C C 52 N3 ? ? ? 1_555 C G 77 N1 ? ? C C 51 C G 76 1_555 ? ? ? ? ? ? WATSON-CRICK  ? ? ? 
hydrog54 hydrog ? ? C C 52 N4 ? ? ? 1_555 C G 77 O6 ? ? C C 51 C G 76 1_555 ? ? ? ? ? ? WATSON-CRICK  ? ? ? 
hydrog55 hydrog ? ? C C 52 O2 ? ? ? 1_555 C G 77 N2 ? ? C C 51 C G 76 1_555 ? ? ? ? ? ? WATSON-CRICK  ? ? ? 
hydrog56 hydrog ? ? C A 53 N1 ? ? ? 1_555 C U 76 N3 ? ? C A 52 C U 75 1_555 ? ? ? ? ? ? WATSON-CRICK  ? ? ? 
hydrog57 hydrog ? ? C A 53 N6 ? ? ? 1_555 C U 76 O4 ? ? C A 52 C U 75 1_555 ? ? ? ? ? ? WATSON-CRICK  ? ? ? 
hydrog58 hydrog ? ? C C 54 N3 ? ? ? 1_555 C G 75 N1 ? ? C C 53 C G 74 1_555 ? ? ? ? ? ? WATSON-CRICK  ? ? ? 
hydrog59 hydrog ? ? C C 54 N4 ? ? ? 1_555 C G 75 O6 ? ? C C 53 C G 74 1_555 ? ? ? ? ? ? WATSON-CRICK  ? ? ? 
hydrog60 hydrog ? ? C C 54 O2 ? ? ? 1_555 C G 75 N2 ? ? C C 53 C G 74 1_555 ? ? ? ? ? ? WATSON-CRICK  ? ? ? 
hydrog61 hydrog ? ? C U 55 N3 ? ? ? 1_555 C U 74 O4 ? ? C U 54 C U 73 1_555 ? ? ? ? ? ? TYPE_16_PAIR  ? ? ? 
hydrog62 hydrog ? ? C U 55 O2 ? ? ? 1_555 C U 74 N3 ? ? C U 54 C U 73 1_555 ? ? ? ? ? ? TYPE_16_PAIR  ? ? ? 
hydrog63 hydrog ? ? C C 56 N3 ? ? ? 1_555 C U 73 N3 ? ? C C 55 C U 72 1_555 ? ? ? ? ? ? TYPE_18_PAIR  ? ? ? 
hydrog64 hydrog ? ? C C 56 N4 ? ? ? 1_555 C U 73 O4 ? ? C C 55 C U 72 1_555 ? ? ? ? ? ? TYPE_18_PAIR  ? ? ? 
hydrog65 hydrog ? ? C U 57 N3 ? ? ? 1_555 C U 72 O2 ? ? C U 56 C U 71 1_555 ? ? ? ? ? ? TYPE_16_PAIR  ? ? ? 
hydrog66 hydrog ? ? C U 57 O4 ? ? ? 1_555 C U 72 N3 ? ? C U 56 C U 71 1_555 ? ? ? ? ? ? TYPE_16_PAIR  ? ? ? 
hydrog67 hydrog ? ? C G 58 N1 ? ? ? 1_555 C C 71 N3 ? ? C G 57 C C 70 1_555 ? ? ? ? ? ? WATSON-CRICK  ? ? ? 
hydrog68 hydrog ? ? C G 58 N2 ? ? ? 1_555 C C 71 O2 ? ? C G 57 C C 70 1_555 ? ? ? ? ? ? WATSON-CRICK  ? ? ? 
hydrog69 hydrog ? ? C G 58 O6 ? ? ? 1_555 C C 71 N4 ? ? C G 57 C C 70 1_555 ? ? ? ? ? ? WATSON-CRICK  ? ? ? 
hydrog70 hydrog ? ? C G 59 N1 ? ? ? 1_555 C C 70 N3 ? ? C G 58 C C 69 1_555 ? ? ? ? ? ? WATSON-CRICK  ? ? ? 
hydrog71 hydrog ? ? C G 59 N2 ? ? ? 1_555 C C 70 O2 ? ? C G 58 C C 69 1_555 ? ? ? ? ? ? WATSON-CRICK  ? ? ? 
hydrog72 hydrog ? ? C G 59 O6 ? ? ? 1_555 C C 70 N4 ? ? C G 58 C C 69 1_555 ? ? ? ? ? ? WATSON-CRICK  ? ? ? 
hydrog73 hydrog ? ? C U 60 N3 ? ? ? 1_555 C A 69 N1 ? ? C U 59 C A 68 1_555 ? ? ? ? ? ? WATSON-CRICK  ? ? ? 
hydrog74 hydrog ? ? C U 60 O4 ? ? ? 1_555 C A 69 N6 ? ? C U 59 C A 68 1_555 ? ? ? ? ? ? WATSON-CRICK  ? ? ? 
hydrog75 hydrog ? ? C A 61 N1 ? ? ? 1_555 C U 68 N3 ? ? C A 60 C U 67 1_555 ? ? ? ? ? ? WATSON-CRICK  ? ? ? 
hydrog76 hydrog ? ? C A 61 N6 ? ? ? 1_555 C U 68 O4 ? ? C A 60 C U 67 1_555 ? ? ? ? ? ? WATSON-CRICK  ? ? ? 
hydrog77 hydrog ? ? C U 62 N3 ? ? ? 1_555 C G 67 O6 ? ? C U 61 C G 66 1_555 ? ? ? ? ? ? TYPE_28_PAIR  ? ? ? 
hydrog78 hydrog ? ? C U 62 O2 ? ? ? 1_555 C G 67 N1 ? ? C U 61 C G 66 1_555 ? ? ? ? ? ? TYPE_28_PAIR  ? ? ? 
hydrog79 hydrog ? ? C C 63 O2 ? ? ? 1_555 C G 66 N1 ? ? C C 62 C G 65 1_555 ? ? ? ? ? ? 'C-G PAIR'    ? ? ? 
# 
_struct_conn_type.id          hydrog 
_struct_conn_type.criteria    ? 
_struct_conn_type.reference   ? 
# 
loop_
_struct_sheet.id 
_struct_sheet.type 
_struct_sheet.number_strands 
_struct_sheet.details 
AA1 ? 7 ? 
AA2 ? 7 ? 
AA3 ? 7 ? 
AA4 ? 7 ? 
# 
loop_
_struct_sheet_order.sheet_id 
_struct_sheet_order.range_id_1 
_struct_sheet_order.range_id_2 
_struct_sheet_order.offset 
_struct_sheet_order.sense 
AA1 1 2 ? anti-parallel 
AA1 2 3 ? anti-parallel 
AA1 3 4 ? anti-parallel 
AA1 4 5 ? anti-parallel 
AA1 5 6 ? anti-parallel 
AA1 6 7 ? anti-parallel 
AA2 1 2 ? anti-parallel 
AA2 2 3 ? anti-parallel 
AA2 3 4 ? anti-parallel 
AA2 4 5 ? anti-parallel 
AA2 5 6 ? anti-parallel 
AA2 6 7 ? anti-parallel 
AA3 1 2 ? anti-parallel 
AA3 2 3 ? anti-parallel 
AA3 3 4 ? anti-parallel 
AA3 4 5 ? anti-parallel 
AA3 5 6 ? anti-parallel 
AA3 6 7 ? anti-parallel 
AA4 1 2 ? anti-parallel 
AA4 2 3 ? anti-parallel 
AA4 3 4 ? anti-parallel 
AA4 4 5 ? anti-parallel 
AA4 5 6 ? anti-parallel 
AA4 6 7 ? 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 SER A 17  ? THR A 22  ? SER A 15  THR A 20  
AA1 2 GLY A 25  ? TYR A 33  ? GLY A 23  TYR A 31  
AA1 3 TRP A 36  ? PRO A 40  ? TRP A 34  PRO A 38  
AA1 4 ASN A 71  ? ASN A 80  ? ASN A 69  ASN A 78  
AA1 5 GLN A 54  ? ALA A 65  ? GLN A 52  ALA A 63  
AA1 6 THR A 48  ? MET A 51  ? THR A 46  MET A 49  
AA1 7 SER A 17  ? THR A 22  ? SER A 15  THR A 20  
AA2 1 MET A 114 ? PRO A 117 ? MET A 112 PRO A 115 
AA2 2 VAL A 103 ? ILE A 106 ? VAL A 101 ILE A 104 
AA2 3 VAL A 152 ? SER A 155 ? VAL A 150 SER A 153 
AA2 4 LYS A 158 ? GLY A 166 ? LYS A 156 GLY A 164 
AA2 5 GLY A 171 ? ALA A 175 ? GLY A 169 ALA A 173 
AA2 6 THR A 132 ? TYR A 140 ? THR A 130 TYR A 138 
AA2 7 VAL A 121 ? LEU A 129 ? VAL A 119 LEU A 127 
AA3 1 SER B 17  ? THR B 22  ? SER B 15  THR B 20  
AA3 2 GLY B 25  ? TYR B 33  ? GLY B 23  TYR B 31  
AA3 3 TRP B 36  ? PRO B 40  ? TRP B 34  PRO B 38  
AA3 4 ASN B 71  ? LEU B 79  ? ASN B 69  LEU B 77  
AA3 5 GLN B 54  ? ALA B 65  ? GLN B 52  ALA B 63  
AA3 6 THR B 48  ? MET B 51  ? THR B 46  MET B 49  
AA3 7 SER B 17  ? THR B 22  ? SER B 15  THR B 20  
AA4 1 MET B 114 ? PRO B 117 ? MET B 112 PRO B 115 
AA4 2 VAL B 103 ? ILE B 106 ? VAL B 101 ILE B 104 
AA4 3 VAL B 152 ? SER B 155 ? VAL B 150 SER B 153 
AA4 4 LYS B 158 ? ASN B 167 ? LYS B 156 ASN B 165 
AA4 5 GLN B 170 ? ALA B 175 ? GLN B 168 ALA B 173 
AA4 6 THR B 132 ? TYR B 140 ? THR B 130 TYR B 138 
AA4 7 VAL B 121 ? LEU B 129 ? VAL B 119 LEU B 127 
# 
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 20  ? N VAL A 18  O PHE A 27  ? O PHE A 25  
AA1 2 3 N TYR A 33  ? N TYR A 31  O TRP A 36  ? O TRP A 34  
AA1 3 4 N LEU A 39  ? N LEU A 37  O THR A 75  ? O THR A 73  
AA1 4 5 O LEU A 74  ? O LEU A 72  N LEU A 64  ? N LEU A 62  
AA1 5 6 O GLN A 54  ? O GLN A 52  N MET A 51  ? N MET A 49  
AA1 6 7 O LEU A 50  ? O LEU A 48  N LYS A 21  ? N LYS A 19  
AA2 1 2 O ILE A 116 ? O ILE A 114 N LEU A 104 ? N LEU A 102 
AA2 2 3 N VAL A 103 ? N VAL A 101 O MET A 154 ? O MET A 152 
AA2 3 4 N SER A 155 ? N SER A 153 O LYS A 158 ? O LYS A 156 
AA2 4 5 N GLY A 165 ? N GLY A 163 O PHE A 172 ? O PHE A 170 
AA2 5 6 O GLY A 171 ? O GLY A 169 N TYR A 140 ? N TYR A 138 
AA2 6 7 O THR A 134 ? O THR A 132 N LEU A 127 ? N LEU A 125 
AA3 1 2 N VAL B 20  ? N VAL B 18  O PHE B 27  ? O PHE B 25  
AA3 2 3 N TYR B 33  ? N TYR B 31  O TRP B 36  ? O TRP B 34  
AA3 3 4 N ALA B 37  ? N ALA B 35  O LEU B 77  ? O LEU B 75  
AA3 4 5 O LEU B 74  ? O LEU B 72  N LEU B 64  ? N LEU B 62  
AA3 5 6 O VAL B 56  ? O VAL B 54  N ILE B 49  ? N ILE B 47  
AA3 6 7 O LEU B 50  ? O LEU B 48  N LYS B 21  ? N LYS B 19  
AA4 1 2 O ILE B 116 ? O ILE B 114 N LEU B 104 ? N LEU B 102 
AA4 2 3 N ALA B 105 ? N ALA B 103 O VAL B 152 ? O VAL B 150 
AA4 3 4 N SER B 155 ? N SER B 153 O LYS B 158 ? O LYS B 156 
AA4 4 5 N GLY B 165 ? N GLY B 163 O PHE B 172 ? O PHE B 170 
AA4 5 6 O GLY B 171 ? O GLY B 169 N TYR B 140 ? N TYR B 138 
AA4 6 7 O THR B 132 ? O THR B 130 N LEU B 129 ? N LEU B 127 
# 
_pdbx_entry_details.entry_id                   9DCF 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.has_ligand_of_interest     ? 
_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 OE1 A GLU 121 ? ? O     A HOH 201 ? ? 2.16 
2 1 OD1 B ASN 80  ? ? "O2'" C A   60  ? ? 2.17 
# 
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 C  B ALA 41 ? ? N  B LYS 42 ? ? CA B LYS 42 ? ? 140.38 121.70 18.68 2.50 Y 
2 1 C6 C C   55 ? ? N1 C C   55 ? ? C2 C C   55 ? ? 117.89 120.30 -2.41 0.40 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 ASP A 32  ? ? 40.05   -120.68 
2  1 TYR A 122 ? ? -143.02 -34.09  
3  1 ARG A 134 ? ? 70.10   32.26   
4  1 ARG A 143 ? ? -121.16 -151.47 
5  1 ASN A 165 ? ? -161.17 106.31  
6  1 PHE A 179 ? ? -116.67 -160.30 
7  1 ASP B 32  ? ? 33.04   -120.16 
8  1 LYS B 42  ? ? 44.72   87.68   
9  1 TYR B 122 ? ? -142.85 -29.73  
10 1 ARG B 134 ? ? 71.83   31.22   
11 1 ASN B 165 ? ? -160.52 117.86  
# 
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 16.2998 47.0306 52.5513 0.2190  ? 0.1005  ? -0.0101 ? 0.8775 ? -0.0695 ? 0.1644 ? 2.8774 ? 
-2.0186 ? -0.2524 ? 4.0517 ? -0.7463 ? 3.4571 ? -0.2610 ? -0.1605 ? 0.0246  ? 0.1963  ? 0.2141  ? -0.2575 ? 0.0691  ? 0.6466  ? 
-0.0569 ? 
2  'X-RAY DIFFRACTION' ? refined 12.0585 49.2609 57.8710 0.2480  ? 0.1141  ? -0.0839 ? 1.1536 ? 0.1329  ? 0.1013 ? 0.6338 ? 0.1697 
? -0.1466 ? 1.5589 ? -0.1825 ? 5.5228 ? 0.1805  ? -0.3221 ? 0.0812  ? 0.1638  ? -0.2217 ? -0.3640 ? -0.1953 ? 0.9302  ? 0.1259  ? 
3  'X-RAY DIFFRACTION' ? refined 36.5159 22.8026 48.4630 1.9804  ? 0.8565  ? 0.4467  ? 1.4129 ? -0.0939 ? 2.4946 ? 3.9669 ? 1.1074 
? 1.6900  ? 5.7608 ? -2.1937 ? 2.5001 ? 0.1160  ? 0.2227  ? 1.2865  ? 1.4174  ? 0.2702  ? -1.1844 ? -1.6348 ? -1.0483 ? -0.3888 ? 
4  'X-RAY DIFFRACTION' ? refined 16.0604 6.7059  46.0751 1.3861  ? 0.2316  ? 0.2265  ? 1.3472 ? -0.0845 ? 1.1267 ? 5.4040 ? 
-0.6758 ? 2.0192  ? 0.9662 ? -1.1023 ? 1.6396 ? 0.0849  ? 1.3600  ? -1.3719 ? -0.2379 ? -0.0160 ? 0.2382  ? 0.2081  ? -0.3814 ? 
-0.1085 ? 
5  'X-RAY DIFFRACTION' ? refined 9.3005  31.6427 35.4826 0.2397  ? -0.0036 ? 0.0214  ? 1.1861 ? 0.0857  ? 0.3847 ? 3.7928 ? 
-0.6942 ? 1.6280  ? 2.1456 ? 1.0928  ? 1.7280 ? -0.3633 ? 0.0385  ? -0.9438 ? 0.3662  ? -0.1219 ? 0.3381  ? 0.6045  ? -0.5009 ? 
-0.2625 ? 
6  'X-RAY DIFFRACTION' ? refined 42.1212 21.6826 53.1912 1.2132  ? 0.4233  ? -0.0463 ? 1.7754 ? 0.0635  ? 1.4894 ? 2.3585 ? 1.3432 
? -1.2401 ? 5.5988 ? -2.0026 ? 1.0255 ? -0.7359 ? 0.4696  ? -0.3270 ? 0.8085  ? 0.8423  ? -2.1246 ? -0.6275 ? -0.5463 ? -0.0680 ? 
7  'X-RAY DIFFRACTION' ? refined 17.6608 47.5345 24.5001 0.3474  ? -0.1458 ? -0.0030 ? 0.8875 ? 0.0184  ? 0.1173 ? 2.6309 ? 
-0.5603 ? -1.1004 ? 1.5387 ? 0.1899  ? 2.3831 ? 0.4485  ? 0.3794  ? 0.0594  ? 0.1024  ? -0.2696 ? -0.2137 ? -0.3294 ? 0.4582  ? 
-0.0686 ? 
8  'X-RAY DIFFRACTION' ? refined 28.4345 44.3394 22.1337 0.2290  ? -0.0348 ? 0.0509  ? 1.1185 ? -0.0899 ? 0.2874 ? 2.3423 ? 0.0736 
? 0.8823  ? 1.0092 ? 1.6053  ? 2.8176 ? -0.2314 ? 0.1693  ? 0.0591  ? 0.0358  ? 0.0459  ? -0.0614 ? 0.0261  ? 0.7078  ? 0.1775  ? 
9  'X-RAY DIFFRACTION' ? refined 31.8138 40.4700 23.2380 0.2349  ? 0.1392  ? 0.0645  ? 1.1516 ? -0.0947 ? 0.2061 ? 1.4751 ? 0.0131 
? -0.8060 ? 1.8494 ? -0.4611 ? 0.9303 ? 0.0105  ? -0.1043 ? 0.0868  ? 0.2372  ? 0.1906  ? 0.1010  ? -0.0915 ? 0.1348  ? -0.2028 ? 
10 'X-RAY DIFFRACTION' ? refined 22.5883 38.9392 16.9603 0.1184  ? 0.0113  ? -0.0238 ? 0.7608 ? -0.0149 ? 0.3257 ? 4.8925 ? 
-0.0672 ? -1.4798 ? 2.6638 ? -0.2142 ? 1.1530 ? 0.4782  ? 0.2738  ? -0.3035 ? -0.2355 ? -0.3582 ? 0.1590  ? 0.2403  ? 0.2731  ? 
-0.0156 ? 
11 'X-RAY DIFFRACTION' ? refined 7.7535  44.9733 8.7521  0.2006  ? 0.1332  ? -0.0023 ? 0.9646 ? -0.1782 ? 0.3328 ? 5.3098 ? 2.1427 
? 0.6542  ? 4.7798 ? -3.0794 ? 3.5953 ? 0.2503  ? 0.6153  ? 0.0237  ? -0.0630 ? 0.4164  ? 0.4441  ? 0.0626  ? 0.1134  ? -0.5716 ? 
12 'X-RAY DIFFRACTION' ? refined 13.0580 55.1638 18.4258 0.3022  ? 0.1748  ? 0.0081  ? 0.7059 ? 0.0226  ? 0.1250 ? 0.4329 ? 
-0.6240 ? -1.2723 ? 2.1588 ? -0.1533 ? 6.9047 ? 0.1578  ? 0.3084  ? 0.0766  ? -0.0318 ? 0.3011  ? 0.0705  ? -0.6139 ? 0.1619  ? 
-0.3251 ? 
13 'X-RAY DIFFRACTION' ? refined 23.9971 51.6264 2.1802  0.2871  ? -0.2550 ? -0.1190 ? 1.2819 ? 0.3257  ? 0.3822 ? 0.3487 ? 
-0.1775 ? 0.1744  ? 0.0908 ? -0.0509 ? 1.0549 ? 0.0137  ? -0.0541 ? 0.0143  ? -0.0124 ? 0.0144  ? -0.0463 ? -0.1576 ? 0.3200  ? 
0.4068  ? 
14 'X-RAY DIFFRACTION' ? refined 16.1767 57.7788 13.4150 0.3542  ? 0.2720  ? -0.1256 ? 1.3729 ? 0.0559  ? 0.2778 ? 3.6450 ? 0.4997 
? 4.3991  ? 0.3288 ? 0.5025  ? 5.3446 ? -0.5565 ? -1.2418 ? 0.5320  ? 0.0499  ? 0.3186  ? 0.1647  ? -1.0853 ? -1.0417 ? 0.6299  ? 
15 'X-RAY DIFFRACTION' ? refined 12.2355 48.1934 15.7213 0.2746  ? -0.2171 ? -0.1179 ? 0.4235 ? 0.0625  ? 0.0849 ? 4.4738 ? 1.6014 
? 0.7535  ? 3.0521 ? 0.7567  ? 2.4694 ? -0.0791 ? 0.2497  ? 0.2073  ? -0.0246 ? -0.1135 ? 0.1705  ? 0.4885  ? 0.1069  ? 0.1870  ? 
16 'X-RAY DIFFRACTION' ? refined 17.1269 47.5261 10.1258 0.2809  ? -0.2522 ? -0.0184 ? 1.2155 ? -0.2307 ? 0.1140 ? 0.1143 ? 
-0.2084 ? 0.4002  ? 1.5532 ? 0.3221  ? 5.3845 ? 0.0479  ? 0.1030  ? 0.0005  ? -0.1922 ? 0.0199  ? -0.0608 ? -0.3147 ? 0.0703  ? 
0.0604  ? 
17 'X-RAY DIFFRACTION' ? refined 5.1980  52.2084 47.4675 -0.3374 ? -0.1749 ? -0.0409 ? 1.0605 ? 0.0062  ? 0.2531 ? 1.8587 ? 
-0.2885 ? 0.2187  ? 0.6699 ? 0.0524  ? 0.6508 ? -0.1678 ? -0.1789 ? 0.3416  ? 0.0519  ? 0.1339  ? -0.1364 ? 0.1005  ? -0.1639 ? 
-0.1374 ? 
18 'X-RAY DIFFRACTION' ? refined 3.3799  41.6790 42.7539 0.2675  ? -0.1604 ? 0.0295  ? 0.7546 ? 0.0176  ? 0.1828 ? 5.8333 ? 
-1.7398 ? -1.3110 ? 1.6446 ? 0.8407  ? 0.9597 ? -0.0286 ? -0.3224 ? -0.0566 ? -0.3306 ? 0.4143  ? 0.1541  ? 0.2795  ? -0.5759 ? 
-0.2083 ? 
19 'X-RAY DIFFRACTION' ? refined 19.4114 48.7574 52.6296 0.1006  ? -0.0020 ? -0.1749 ? 1.3438 ? 0.1456  ? 0.2569 ? 1.7011 ? 
-0.1788 ? 1.3606  ? 0.6642 ? 0.1100  ? 1.6954 ? -0.0392 ? -0.0560 ? -0.0380 ? 0.1234  ? 0.1372  ? -0.0188 ? 0.0783  ? -0.5178 ? 
-0.0467 ? 
20 'X-RAY DIFFRACTION' ? refined 12.7881 55.5822 64.2415 0.2351  ? 0.2774  ? -0.1144 ? 1.2892 ? 0.0984  ? 0.3182 ? 2.0887 ? 0.1112 
? 0.6995  ? 0.4302 ? 0.2106  ? 1.4426 ? -0.1167 ? -0.0238 ? 0.1589  ? 0.0643  ? 0.1067  ? 0.0665  ? -0.1932 ? -0.3434 ? 0.2065  ? 
21 'X-RAY DIFFRACTION' ? refined 20.9541 57.5861 52.1828 0.4567  ? -0.0592 ? 0.1043  ? 2.0719 ? -0.1522 ? 0.4887 ? 1.3919 ? 
-1.4306 ? 0.1403  ? 1.4723 ? -0.1456 ? 0.0146 ? 0.1969  ? -0.0365 ? 0.4263  ? 0.0124  ? 0.0362  ? -0.5772 ? -0.1510 ? 1.2691  ? 
-0.2163 ? 
# 
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  ? ? ? ? ? ? ? ? ? ? ? 
;chain 'B' and (resid 150 through 164 )
;
2  'X-RAY DIFFRACTION' 2  ? ? ? ? ? ? ? ? ? ? ? 
;chain 'B' and (resid 165 through 180 )
;
3  'X-RAY DIFFRACTION' 3  ? ? ? ? ? ? ? ? ? ? ? 
;chain 'C' and (resid 1 through 9 )
;
4  'X-RAY DIFFRACTION' 4  ? ? ? ? ? ? ? ? ? ? ? 
;chain 'C' and (resid 10 through 45 )
;
5  'X-RAY DIFFRACTION' 5  ? ? ? ? ? ? ? ? ? ? ? 
;chain 'C' and (resid 46 through 80 )
;
6  'X-RAY DIFFRACTION' 6  ? ? ? ? ? ? ? ? ? ? ? 
;chain 'C' and (resid 81 through 89 )
;
7  'X-RAY DIFFRACTION' 7  ? ? ? ? ? ? ? ? ? ? ? 
;chain 'A' and (resid 1 through 31 )
;
8  'X-RAY DIFFRACTION' 8  ? ? ? ? ? ? ? ? ? ? ? 
;chain 'A' and (resid 32 through 51 )
;
9  'X-RAY DIFFRACTION' 9  ? ? ? ? ? ? ? ? ? ? ? 
;chain 'A' and (resid 52 through 61 )
;
10 'X-RAY DIFFRACTION' 10 ? ? ? ? ? ? ? ? ? ? ? 
;chain 'A' and (resid 62 through 89 )
;
11 'X-RAY DIFFRACTION' 11 ? ? ? ? ? ? ? ? ? ? ? 
;chain 'A' and (resid 90 through 99 )
;
12 'X-RAY DIFFRACTION' 12 ? ? ? ? ? ? ? ? ? ? ? 
;chain 'A' and (resid 100 through 123 )
;
13 'X-RAY DIFFRACTION' 13 ? ? ? ? ? ? ? ? ? ? ? 
;chain 'A' and (resid 124 through 134 )
;
14 'X-RAY DIFFRACTION' 14 ? ? ? ? ? ? ? ? ? ? ? 
;chain 'A' and (resid 135 through 149 )
;
15 'X-RAY DIFFRACTION' 15 ? ? ? ? ? ? ? ? ? ? ? 
;chain 'A' and (resid 150 through 163 )
;
16 'X-RAY DIFFRACTION' 16 ? ? ? ? ? ? ? ? ? ? ? 
;chain 'A' and (resid 164 through 180 )
;
17 'X-RAY DIFFRACTION' 17 ? ? ? ? ? ? ? ? ? ? ? 
;chain 'B' and (resid 2 through 77 )
;
18 'X-RAY DIFFRACTION' 18 ? ? ? ? ? ? ? ? ? ? ? 
;chain 'B' and (resid 78 through 89 )
;
19 'X-RAY DIFFRACTION' 19 ? ? ? ? ? ? ? ? ? ? ? 
;chain 'B' and (resid 90 through 123 )
;
20 'X-RAY DIFFRACTION' 20 ? ? ? ? ? ? ? ? ? ? ? 
;chain 'B' and (resid 124 through 138 )
;
21 'X-RAY DIFFRACTION' 21 ? ? ? ? ? ? ? ? ? ? ? 
;chain 'B' and (resid 139 through 149 )
;
# 
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 GLY 0   ? A GLY 2   
3  1 Y 1 A ASP 181 ? A ASP 183 
4  1 Y 1 A GLU 182 ? A GLU 184 
5  1 Y 1 A GLN 183 ? A GLN 185 
6  1 Y 1 A LEU 184 ? A LEU 186 
7  1 Y 1 A GLU 185 ? A GLU 187 
8  1 Y 1 A HIS 186 ? A HIS 188 
9  1 Y 1 A HIS 187 ? A HIS 189 
10 1 Y 1 A HIS 188 ? A HIS 190 
11 1 Y 1 A HIS 189 ? A HIS 191 
12 1 Y 1 A HIS 190 ? A HIS 192 
13 1 Y 1 A HIS 191 ? A HIS 193 
14 1 Y 1 B MET -1  ? B MET 1   
15 1 Y 1 B GLY 0   ? B GLY 2   
16 1 Y 1 B GLY 1   ? B GLY 3   
17 1 Y 1 B ARG 143 ? B ARG 145 
18 1 Y 1 B ASP 181 ? B ASP 183 
19 1 Y 1 B GLU 182 ? B GLU 184 
20 1 Y 1 B GLN 183 ? B GLN 185 
21 1 Y 1 B LEU 184 ? B LEU 186 
22 1 Y 1 B GLU 185 ? B GLU 187 
23 1 Y 1 B HIS 186 ? B HIS 188 
24 1 Y 1 B HIS 187 ? B HIS 189 
25 1 Y 1 B HIS 188 ? B HIS 190 
26 1 Y 1 B HIS 189 ? B HIS 191 
27 1 Y 1 B HIS 190 ? B HIS 192 
28 1 Y 1 B HIS 191 ? B HIS 193 
29 1 Y 1 C G   0   ? C G   1   
30 1 Y 1 C U   14  ? C U   15  
31 1 Y 1 C G   15  ? C G   16  
32 1 Y 1 C G   16  ? C G   17  
33 1 Y 1 C G   17  ? C G   18  
34 1 Y 1 C U   18  ? C U   19  
35 1 Y 1 C U   19  ? C U   20  
36 1 Y 1 C G   20  ? C G   21  
37 1 Y 1 C A   21  ? C A   22  
38 1 Y 1 C U   22  ? C U   23  
39 1 Y 1 C C   23  ? C C   24  
40 1 Y 1 C C   24  ? C C   25  
41 1 Y 1 C C   25  ? C C   26  
# 
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 
A   OP3    O N N 1   
A   P      P N N 2   
A   OP1    O N N 3   
A   OP2    O N N 4   
A   "O5'"  O N N 5   
A   "C5'"  C N N 6   
A   "C4'"  C N R 7   
A   "O4'"  O N N 8   
A   "C3'"  C N S 9   
A   "O3'"  O N N 10  
A   "C2'"  C N R 11  
A   "O2'"  O N N 12  
A   "C1'"  C N R 13  
A   N9     N Y N 14  
A   C8     C Y N 15  
A   N7     N Y N 16  
A   C5     C Y N 17  
A   C6     C Y N 18  
A   N6     N N N 19  
A   N1     N Y N 20  
A   C2     C Y N 21  
A   N3     N Y N 22  
A   C4     C Y N 23  
A   HOP3   H N N 24  
A   HOP2   H N N 25  
A   "H5'"  H N N 26  
A   "H5''" H N N 27  
A   "H4'"  H N N 28  
A   "H3'"  H N N 29  
A   "HO3'" H N N 30  
A   "H2'"  H N N 31  
A   "HO2'" H N N 32  
A   "H1'"  H N N 33  
A   H8     H N N 34  
A   H61    H N N 35  
A   H62    H N N 36  
A   H2     H N N 37  
ALA N      N N N 38  
ALA CA     C N S 39  
ALA C      C N N 40  
ALA O      O N N 41  
ALA CB     C N N 42  
ALA OXT    O N N 43  
ALA H      H N N 44  
ALA H2     H N N 45  
ALA HA     H N N 46  
ALA HB1    H N N 47  
ALA HB2    H N N 48  
ALA HB3    H N N 49  
ALA HXT    H N N 50  
ARG N      N N N 51  
ARG CA     C N S 52  
ARG C      C N N 53  
ARG O      O N N 54  
ARG CB     C N N 55  
ARG CG     C N N 56  
ARG CD     C N N 57  
ARG NE     N N N 58  
ARG CZ     C N N 59  
ARG NH1    N N N 60  
ARG NH2    N N N 61  
ARG OXT    O N N 62  
ARG H      H N N 63  
ARG H2     H N N 64  
ARG HA     H N N 65  
ARG HB2    H N N 66  
ARG HB3    H N N 67  
ARG HG2    H N N 68  
ARG HG3    H N N 69  
ARG HD2    H N N 70  
ARG HD3    H N N 71  
ARG HE     H N N 72  
ARG HH11   H N N 73  
ARG HH12   H N N 74  
ARG HH21   H N N 75  
ARG HH22   H N N 76  
ARG HXT    H N N 77  
ASN N      N N N 78  
ASN CA     C N S 79  
ASN C      C N N 80  
ASN O      O N N 81  
ASN CB     C N N 82  
ASN CG     C N N 83  
ASN OD1    O N N 84  
ASN ND2    N N N 85  
ASN OXT    O N N 86  
ASN H      H N N 87  
ASN H2     H N N 88  
ASN HA     H N N 89  
ASN HB2    H N N 90  
ASN HB3    H N N 91  
ASN HD21   H N N 92  
ASN HD22   H N N 93  
ASN HXT    H N N 94  
ASP N      N N N 95  
ASP CA     C N S 96  
ASP C      C N N 97  
ASP O      O N N 98  
ASP CB     C N N 99  
ASP CG     C N N 100 
ASP OD1    O N N 101 
ASP OD2    O N N 102 
ASP OXT    O N N 103 
ASP H      H N N 104 
ASP H2     H N N 105 
ASP HA     H N N 106 
ASP HB2    H N N 107 
ASP HB3    H N N 108 
ASP HD2    H N N 109 
ASP HXT    H N N 110 
C   OP3    O N N 111 
C   P      P N N 112 
C   OP1    O N N 113 
C   OP2    O N N 114 
C   "O5'"  O N N 115 
C   "C5'"  C N N 116 
C   "C4'"  C N R 117 
C   "O4'"  O N N 118 
C   "C3'"  C N S 119 
C   "O3'"  O N N 120 
C   "C2'"  C N R 121 
C   "O2'"  O N N 122 
C   "C1'"  C N R 123 
C   N1     N N N 124 
C   C2     C N N 125 
C   O2     O N N 126 
C   N3     N N N 127 
C   C4     C N N 128 
C   N4     N N N 129 
C   C5     C N N 130 
C   C6     C N N 131 
C   HOP3   H N N 132 
C   HOP2   H N N 133 
C   "H5'"  H N N 134 
C   "H5''" H N N 135 
C   "H4'"  H N N 136 
C   "H3'"  H N N 137 
C   "HO3'" H N N 138 
C   "H2'"  H N N 139 
C   "HO2'" H N N 140 
C   "H1'"  H N N 141 
C   H41    H N N 142 
C   H42    H N N 143 
C   H5     H N N 144 
C   H6     H N N 145 
CYS N      N N N 146 
CYS CA     C N R 147 
CYS C      C N N 148 
CYS O      O N N 149 
CYS CB     C N N 150 
CYS SG     S N N 151 
CYS OXT    O N N 152 
CYS H      H N N 153 
CYS H2     H N N 154 
CYS HA     H N N 155 
CYS HB2    H N N 156 
CYS HB3    H N N 157 
CYS HG     H N N 158 
CYS HXT    H N N 159 
G   OP3    O N N 160 
G   P      P N N 161 
G   OP1    O N N 162 
G   OP2    O N N 163 
G   "O5'"  O N N 164 
G   "C5'"  C N N 165 
G   "C4'"  C N R 166 
G   "O4'"  O N N 167 
G   "C3'"  C N S 168 
G   "O3'"  O N N 169 
G   "C2'"  C N R 170 
G   "O2'"  O N N 171 
G   "C1'"  C N R 172 
G   N9     N Y N 173 
G   C8     C Y N 174 
G   N7     N Y N 175 
G   C5     C Y N 176 
G   C6     C N N 177 
G   O6     O N N 178 
G   N1     N N N 179 
G   C2     C N N 180 
G   N2     N N N 181 
G   N3     N N N 182 
G   C4     C Y N 183 
G   HOP3   H N N 184 
G   HOP2   H N N 185 
G   "H5'"  H N N 186 
G   "H5''" H N N 187 
G   "H4'"  H N N 188 
G   "H3'"  H N N 189 
G   "HO3'" H N N 190 
G   "H2'"  H N N 191 
G   "HO2'" H N N 192 
G   "H1'"  H N N 193 
G   H8     H N N 194 
G   H1     H N N 195 
G   H21    H N N 196 
G   H22    H N N 197 
GLN N      N N N 198 
GLN CA     C N S 199 
GLN C      C N N 200 
GLN O      O N N 201 
GLN CB     C N N 202 
GLN CG     C N N 203 
GLN CD     C N N 204 
GLN OE1    O N N 205 
GLN NE2    N N N 206 
GLN OXT    O N N 207 
GLN H      H N N 208 
GLN H2     H N N 209 
GLN HA     H N N 210 
GLN HB2    H N N 211 
GLN HB3    H N N 212 
GLN HG2    H N N 213 
GLN HG3    H N N 214 
GLN HE21   H N N 215 
GLN HE22   H N N 216 
GLN HXT    H N N 217 
GLU N      N N N 218 
GLU CA     C N S 219 
GLU C      C N N 220 
GLU O      O N N 221 
GLU CB     C N N 222 
GLU CG     C N N 223 
GLU CD     C N N 224 
GLU OE1    O N N 225 
GLU OE2    O N N 226 
GLU OXT    O N N 227 
GLU H      H N N 228 
GLU H2     H N N 229 
GLU HA     H N N 230 
GLU HB2    H N N 231 
GLU HB3    H N N 232 
GLU HG2    H N N 233 
GLU HG3    H N N 234 
GLU HE2    H N N 235 
GLU HXT    H N N 236 
GLY N      N N N 237 
GLY CA     C N N 238 
GLY C      C N N 239 
GLY O      O N N 240 
GLY OXT    O N N 241 
GLY H      H N N 242 
GLY H2     H N N 243 
GLY HA2    H N N 244 
GLY HA3    H N N 245 
GLY HXT    H N N 246 
HIS N      N N N 247 
HIS CA     C N S 248 
HIS C      C N N 249 
HIS O      O N N 250 
HIS CB     C N N 251 
HIS CG     C Y N 252 
HIS ND1    N Y N 253 
HIS CD2    C Y N 254 
HIS CE1    C Y N 255 
HIS NE2    N Y N 256 
HIS OXT    O N N 257 
HIS H      H N N 258 
HIS H2     H N N 259 
HIS HA     H N N 260 
HIS HB2    H N N 261 
HIS HB3    H N N 262 
HIS HD1    H N N 263 
HIS HD2    H N N 264 
HIS HE1    H N N 265 
HIS HE2    H N N 266 
HIS HXT    H N N 267 
HOH O      O N N 268 
HOH H1     H N N 269 
HOH H2     H N N 270 
ILE N      N N N 271 
ILE CA     C N S 272 
ILE C      C N N 273 
ILE O      O N N 274 
ILE CB     C N S 275 
ILE CG1    C N N 276 
ILE CG2    C N N 277 
ILE CD1    C N N 278 
ILE OXT    O N N 279 
ILE H      H N N 280 
ILE H2     H N N 281 
ILE HA     H N N 282 
ILE HB     H N N 283 
ILE HG12   H N N 284 
ILE HG13   H N N 285 
ILE HG21   H N N 286 
ILE HG22   H N N 287 
ILE HG23   H N N 288 
ILE HD11   H N N 289 
ILE HD12   H N N 290 
ILE HD13   H N N 291 
ILE HXT    H N N 292 
LEU N      N N N 293 
LEU CA     C N S 294 
LEU C      C N N 295 
LEU O      O N N 296 
LEU CB     C N N 297 
LEU CG     C N N 298 
LEU CD1    C N N 299 
LEU CD2    C N N 300 
LEU OXT    O N N 301 
LEU H      H N N 302 
LEU H2     H N N 303 
LEU HA     H N N 304 
LEU HB2    H N N 305 
LEU HB3    H N N 306 
LEU HG     H N N 307 
LEU HD11   H N N 308 
LEU HD12   H N N 309 
LEU HD13   H N N 310 
LEU HD21   H N N 311 
LEU HD22   H N N 312 
LEU HD23   H N N 313 
LEU HXT    H N N 314 
LYS N      N N N 315 
LYS CA     C N S 316 
LYS C      C N N 317 
LYS O      O N N 318 
LYS CB     C N N 319 
LYS CG     C N N 320 
LYS CD     C N N 321 
LYS CE     C N N 322 
LYS NZ     N N N 323 
LYS OXT    O N N 324 
LYS H      H N N 325 
LYS H2     H N N 326 
LYS HA     H N N 327 
LYS HB2    H N N 328 
LYS HB3    H N N 329 
LYS HG2    H N N 330 
LYS HG3    H N N 331 
LYS HD2    H N N 332 
LYS HD3    H N N 333 
LYS HE2    H N N 334 
LYS HE3    H N N 335 
LYS HZ1    H N N 336 
LYS HZ2    H N N 337 
LYS HZ3    H N N 338 
LYS HXT    H N N 339 
MET N      N N N 340 
MET CA     C N S 341 
MET C      C N N 342 
MET O      O N N 343 
MET CB     C N N 344 
MET CG     C N N 345 
MET SD     S N N 346 
MET CE     C N N 347 
MET OXT    O N N 348 
MET H      H N N 349 
MET H2     H N N 350 
MET HA     H N N 351 
MET HB2    H N N 352 
MET HB3    H N N 353 
MET HG2    H N N 354 
MET HG3    H N N 355 
MET HE1    H N N 356 
MET HE2    H N N 357 
MET HE3    H N N 358 
MET HXT    H N N 359 
PHE N      N N N 360 
PHE CA     C N S 361 
PHE C      C N N 362 
PHE O      O N N 363 
PHE CB     C N N 364 
PHE CG     C Y N 365 
PHE CD1    C Y N 366 
PHE CD2    C Y N 367 
PHE CE1    C Y N 368 
PHE CE2    C Y N 369 
PHE CZ     C Y N 370 
PHE OXT    O N N 371 
PHE H      H N N 372 
PHE H2     H N N 373 
PHE HA     H N N 374 
PHE HB2    H N N 375 
PHE HB3    H N N 376 
PHE HD1    H N N 377 
PHE HD2    H N N 378 
PHE HE1    H N N 379 
PHE HE2    H N N 380 
PHE HZ     H N N 381 
PHE HXT    H N N 382 
PRO N      N N N 383 
PRO CA     C N S 384 
PRO C      C N N 385 
PRO O      O N N 386 
PRO CB     C N N 387 
PRO CG     C N N 388 
PRO CD     C N N 389 
PRO OXT    O N N 390 
PRO H      H N N 391 
PRO HA     H N N 392 
PRO HB2    H N N 393 
PRO HB3    H N N 394 
PRO HG2    H N N 395 
PRO HG3    H N N 396 
PRO HD2    H N N 397 
PRO HD3    H N N 398 
PRO HXT    H N N 399 
SER N      N N N 400 
SER CA     C N S 401 
SER C      C N N 402 
SER O      O N N 403 
SER CB     C N N 404 
SER OG     O N N 405 
SER OXT    O N N 406 
SER H      H N N 407 
SER H2     H N N 408 
SER HA     H N N 409 
SER HB2    H N N 410 
SER HB3    H N N 411 
SER HG     H N N 412 
SER HXT    H N N 413 
THR N      N N N 414 
THR CA     C N S 415 
THR C      C N N 416 
THR O      O N N 417 
THR CB     C N R 418 
THR OG1    O N N 419 
THR CG2    C N N 420 
THR OXT    O N N 421 
THR H      H N N 422 
THR H2     H N N 423 
THR HA     H N N 424 
THR HB     H N N 425 
THR HG1    H N N 426 
THR HG21   H N N 427 
THR HG22   H N N 428 
THR HG23   H N N 429 
THR HXT    H N N 430 
TRP N      N N N 431 
TRP CA     C N S 432 
TRP C      C N N 433 
TRP O      O N N 434 
TRP CB     C N N 435 
TRP CG     C Y N 436 
TRP CD1    C Y N 437 
TRP CD2    C Y N 438 
TRP NE1    N Y N 439 
TRP CE2    C Y N 440 
TRP CE3    C Y N 441 
TRP CZ2    C Y N 442 
TRP CZ3    C Y N 443 
TRP CH2    C Y N 444 
TRP OXT    O N N 445 
TRP H      H N N 446 
TRP H2     H N N 447 
TRP HA     H N N 448 
TRP HB2    H N N 449 
TRP HB3    H N N 450 
TRP HD1    H N N 451 
TRP HE1    H N N 452 
TRP HE3    H N N 453 
TRP HZ2    H N N 454 
TRP HZ3    H N N 455 
TRP HH2    H N N 456 
TRP HXT    H N N 457 
TYR N      N N N 458 
TYR CA     C N S 459 
TYR C      C N N 460 
TYR O      O N N 461 
TYR CB     C N N 462 
TYR CG     C Y N 463 
TYR CD1    C Y N 464 
TYR CD2    C Y N 465 
TYR CE1    C Y N 466 
TYR CE2    C Y N 467 
TYR CZ     C Y N 468 
TYR OH     O N N 469 
TYR OXT    O N N 470 
TYR H      H N N 471 
TYR H2     H N N 472 
TYR HA     H N N 473 
TYR HB2    H N N 474 
TYR HB3    H N N 475 
TYR HD1    H N N 476 
TYR HD2    H N N 477 
TYR HE1    H N N 478 
TYR HE2    H N N 479 
TYR HH     H N N 480 
TYR HXT    H N N 481 
U   OP3    O N N 482 
U   P      P N N 483 
U   OP1    O N N 484 
U   OP2    O N N 485 
U   "O5'"  O N N 486 
U   "C5'"  C N N 487 
U   "C4'"  C N R 488 
U   "O4'"  O N N 489 
U   "C3'"  C N S 490 
U   "O3'"  O N N 491 
U   "C2'"  C N R 492 
U   "O2'"  O N N 493 
U   "C1'"  C N R 494 
U   N1     N N N 495 
U   C2     C N N 496 
U   O2     O N N 497 
U   N3     N N N 498 
U   C4     C N N 499 
U   O4     O N N 500 
U   C5     C N N 501 
U   C6     C N N 502 
U   HOP3   H N N 503 
U   HOP2   H N N 504 
U   "H5'"  H N N 505 
U   "H5''" H N N 506 
U   "H4'"  H N N 507 
U   "H3'"  H N N 508 
U   "HO3'" H N N 509 
U   "H2'"  H N N 510 
U   "HO2'" H N N 511 
U   "H1'"  H N N 512 
U   H3     H N N 513 
U   H5     H N N 514 
U   H6     H N N 515 
VAL N      N N N 516 
VAL CA     C N S 517 
VAL C      C N N 518 
VAL O      O N N 519 
VAL CB     C N N 520 
VAL CG1    C N N 521 
VAL CG2    C N N 522 
VAL OXT    O N N 523 
VAL H      H N N 524 
VAL H2     H N N 525 
VAL HA     H N N 526 
VAL HB     H N N 527 
VAL HG11   H N N 528 
VAL HG12   H N N 529 
VAL HG13   H N N 530 
VAL HG21   H N N 531 
VAL HG22   H N N 532 
VAL HG23   H N N 533 
VAL HXT    H N N 534 
# 
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 
A   OP3   P      sing N N 1   
A   OP3   HOP3   sing N N 2   
A   P     OP1    doub N N 3   
A   P     OP2    sing N N 4   
A   P     "O5'"  sing N N 5   
A   OP2   HOP2   sing N N 6   
A   "O5'" "C5'"  sing N N 7   
A   "C5'" "C4'"  sing N N 8   
A   "C5'" "H5'"  sing N N 9   
A   "C5'" "H5''" sing N N 10  
A   "C4'" "O4'"  sing N N 11  
A   "C4'" "C3'"  sing N N 12  
A   "C4'" "H4'"  sing N N 13  
A   "O4'" "C1'"  sing N N 14  
A   "C3'" "O3'"  sing N N 15  
A   "C3'" "C2'"  sing N N 16  
A   "C3'" "H3'"  sing N N 17  
A   "O3'" "HO3'" sing N N 18  
A   "C2'" "O2'"  sing N N 19  
A   "C2'" "C1'"  sing N N 20  
A   "C2'" "H2'"  sing N N 21  
A   "O2'" "HO2'" sing N N 22  
A   "C1'" N9     sing N N 23  
A   "C1'" "H1'"  sing N N 24  
A   N9    C8     sing Y N 25  
A   N9    C4     sing Y N 26  
A   C8    N7     doub Y N 27  
A   C8    H8     sing N N 28  
A   N7    C5     sing Y N 29  
A   C5    C6     sing Y N 30  
A   C5    C4     doub Y N 31  
A   C6    N6     sing N N 32  
A   C6    N1     doub Y N 33  
A   N6    H61    sing N N 34  
A   N6    H62    sing N N 35  
A   N1    C2     sing Y N 36  
A   C2    N3     doub Y N 37  
A   C2    H2     sing N N 38  
A   N3    C4     sing Y N 39  
ALA N     CA     sing N N 40  
ALA N     H      sing N N 41  
ALA N     H2     sing N N 42  
ALA CA    C      sing N N 43  
ALA CA    CB     sing N N 44  
ALA CA    HA     sing N N 45  
ALA C     O      doub N N 46  
ALA C     OXT    sing N N 47  
ALA CB    HB1    sing N N 48  
ALA CB    HB2    sing N N 49  
ALA CB    HB3    sing N N 50  
ALA OXT   HXT    sing N N 51  
ARG N     CA     sing N N 52  
ARG N     H      sing N N 53  
ARG N     H2     sing N N 54  
ARG CA    C      sing N N 55  
ARG CA    CB     sing N N 56  
ARG CA    HA     sing N N 57  
ARG C     O      doub N N 58  
ARG C     OXT    sing N N 59  
ARG CB    CG     sing N N 60  
ARG CB    HB2    sing N N 61  
ARG CB    HB3    sing N N 62  
ARG CG    CD     sing N N 63  
ARG CG    HG2    sing N N 64  
ARG CG    HG3    sing N N 65  
ARG CD    NE     sing N N 66  
ARG CD    HD2    sing N N 67  
ARG CD    HD3    sing N N 68  
ARG NE    CZ     sing N N 69  
ARG NE    HE     sing N N 70  
ARG CZ    NH1    sing N N 71  
ARG CZ    NH2    doub N N 72  
ARG NH1   HH11   sing N N 73  
ARG NH1   HH12   sing N N 74  
ARG NH2   HH21   sing N N 75  
ARG NH2   HH22   sing N N 76  
ARG OXT   HXT    sing N N 77  
ASN N     CA     sing N N 78  
ASN N     H      sing N N 79  
ASN N     H2     sing N N 80  
ASN CA    C      sing N N 81  
ASN CA    CB     sing N N 82  
ASN CA    HA     sing N N 83  
ASN C     O      doub N N 84  
ASN C     OXT    sing N N 85  
ASN CB    CG     sing N N 86  
ASN CB    HB2    sing N N 87  
ASN CB    HB3    sing N N 88  
ASN CG    OD1    doub N N 89  
ASN CG    ND2    sing N N 90  
ASN ND2   HD21   sing N N 91  
ASN ND2   HD22   sing N N 92  
ASN OXT   HXT    sing N N 93  
ASP N     CA     sing N N 94  
ASP N     H      sing N N 95  
ASP N     H2     sing N N 96  
ASP CA    C      sing N N 97  
ASP CA    CB     sing N N 98  
ASP CA    HA     sing N N 99  
ASP C     O      doub N N 100 
ASP C     OXT    sing N N 101 
ASP CB    CG     sing N N 102 
ASP CB    HB2    sing N N 103 
ASP CB    HB3    sing N N 104 
ASP CG    OD1    doub N N 105 
ASP CG    OD2    sing N N 106 
ASP OD2   HD2    sing N N 107 
ASP OXT   HXT    sing N N 108 
C   OP3   P      sing N N 109 
C   OP3   HOP3   sing N N 110 
C   P     OP1    doub N N 111 
C   P     OP2    sing N N 112 
C   P     "O5'"  sing N N 113 
C   OP2   HOP2   sing N N 114 
C   "O5'" "C5'"  sing N N 115 
C   "C5'" "C4'"  sing N N 116 
C   "C5'" "H5'"  sing N N 117 
C   "C5'" "H5''" sing N N 118 
C   "C4'" "O4'"  sing N N 119 
C   "C4'" "C3'"  sing N N 120 
C   "C4'" "H4'"  sing N N 121 
C   "O4'" "C1'"  sing N N 122 
C   "C3'" "O3'"  sing N N 123 
C   "C3'" "C2'"  sing N N 124 
C   "C3'" "H3'"  sing N N 125 
C   "O3'" "HO3'" sing N N 126 
C   "C2'" "O2'"  sing N N 127 
C   "C2'" "C1'"  sing N N 128 
C   "C2'" "H2'"  sing N N 129 
C   "O2'" "HO2'" sing N N 130 
C   "C1'" N1     sing N N 131 
C   "C1'" "H1'"  sing N N 132 
C   N1    C2     sing N N 133 
C   N1    C6     sing N N 134 
C   C2    O2     doub N N 135 
C   C2    N3     sing N N 136 
C   N3    C4     doub N N 137 
C   C4    N4     sing N N 138 
C   C4    C5     sing N N 139 
C   N4    H41    sing N N 140 
C   N4    H42    sing N N 141 
C   C5    C6     doub N N 142 
C   C5    H5     sing N N 143 
C   C6    H6     sing N N 144 
CYS N     CA     sing N N 145 
CYS N     H      sing N N 146 
CYS N     H2     sing N N 147 
CYS CA    C      sing N N 148 
CYS CA    CB     sing N N 149 
CYS CA    HA     sing N N 150 
CYS C     O      doub N N 151 
CYS C     OXT    sing N N 152 
CYS CB    SG     sing N N 153 
CYS CB    HB2    sing N N 154 
CYS CB    HB3    sing N N 155 
CYS SG    HG     sing N N 156 
CYS OXT   HXT    sing N N 157 
G   OP3   P      sing N N 158 
G   OP3   HOP3   sing N N 159 
G   P     OP1    doub N N 160 
G   P     OP2    sing N N 161 
G   P     "O5'"  sing N N 162 
G   OP2   HOP2   sing N N 163 
G   "O5'" "C5'"  sing N N 164 
G   "C5'" "C4'"  sing N N 165 
G   "C5'" "H5'"  sing N N 166 
G   "C5'" "H5''" sing N N 167 
G   "C4'" "O4'"  sing N N 168 
G   "C4'" "C3'"  sing N N 169 
G   "C4'" "H4'"  sing N N 170 
G   "O4'" "C1'"  sing N N 171 
G   "C3'" "O3'"  sing N N 172 
G   "C3'" "C2'"  sing N N 173 
G   "C3'" "H3'"  sing N N 174 
G   "O3'" "HO3'" sing N N 175 
G   "C2'" "O2'"  sing N N 176 
G   "C2'" "C1'"  sing N N 177 
G   "C2'" "H2'"  sing N N 178 
G   "O2'" "HO2'" sing N N 179 
G   "C1'" N9     sing N N 180 
G   "C1'" "H1'"  sing N N 181 
G   N9    C8     sing Y N 182 
G   N9    C4     sing Y N 183 
G   C8    N7     doub Y N 184 
G   C8    H8     sing N N 185 
G   N7    C5     sing Y N 186 
G   C5    C6     sing N N 187 
G   C5    C4     doub Y N 188 
G   C6    O6     doub N N 189 
G   C6    N1     sing N N 190 
G   N1    C2     sing N N 191 
G   N1    H1     sing N N 192 
G   C2    N2     sing N N 193 
G   C2    N3     doub N N 194 
G   N2    H21    sing N N 195 
G   N2    H22    sing N N 196 
G   N3    C4     sing N N 197 
GLN N     CA     sing N N 198 
GLN N     H      sing N N 199 
GLN N     H2     sing N N 200 
GLN CA    C      sing N N 201 
GLN CA    CB     sing N N 202 
GLN CA    HA     sing N N 203 
GLN C     O      doub N N 204 
GLN C     OXT    sing N N 205 
GLN CB    CG     sing N N 206 
GLN CB    HB2    sing N N 207 
GLN CB    HB3    sing N N 208 
GLN CG    CD     sing N N 209 
GLN CG    HG2    sing N N 210 
GLN CG    HG3    sing N N 211 
GLN CD    OE1    doub N N 212 
GLN CD    NE2    sing N N 213 
GLN NE2   HE21   sing N N 214 
GLN NE2   HE22   sing N N 215 
GLN OXT   HXT    sing N N 216 
GLU N     CA     sing N N 217 
GLU N     H      sing N N 218 
GLU N     H2     sing N N 219 
GLU CA    C      sing N N 220 
GLU CA    CB     sing N N 221 
GLU CA    HA     sing N N 222 
GLU C     O      doub N N 223 
GLU C     OXT    sing N N 224 
GLU CB    CG     sing N N 225 
GLU CB    HB2    sing N N 226 
GLU CB    HB3    sing N N 227 
GLU CG    CD     sing N N 228 
GLU CG    HG2    sing N N 229 
GLU CG    HG3    sing N N 230 
GLU CD    OE1    doub N N 231 
GLU CD    OE2    sing N N 232 
GLU OE2   HE2    sing N N 233 
GLU OXT   HXT    sing N N 234 
GLY N     CA     sing N N 235 
GLY N     H      sing N N 236 
GLY N     H2     sing N N 237 
GLY CA    C      sing N N 238 
GLY CA    HA2    sing N N 239 
GLY CA    HA3    sing N N 240 
GLY C     O      doub N N 241 
GLY C     OXT    sing N N 242 
GLY OXT   HXT    sing N N 243 
HIS N     CA     sing N N 244 
HIS N     H      sing N N 245 
HIS N     H2     sing N N 246 
HIS CA    C      sing N N 247 
HIS CA    CB     sing N N 248 
HIS CA    HA     sing N N 249 
HIS C     O      doub N N 250 
HIS C     OXT    sing N N 251 
HIS CB    CG     sing N N 252 
HIS CB    HB2    sing N N 253 
HIS CB    HB3    sing N N 254 
HIS CG    ND1    sing Y N 255 
HIS CG    CD2    doub Y N 256 
HIS ND1   CE1    doub Y N 257 
HIS ND1   HD1    sing N N 258 
HIS CD2   NE2    sing Y N 259 
HIS CD2   HD2    sing N N 260 
HIS CE1   NE2    sing Y N 261 
HIS CE1   HE1    sing N N 262 
HIS NE2   HE2    sing N N 263 
HIS OXT   HXT    sing N N 264 
HOH O     H1     sing N N 265 
HOH O     H2     sing N N 266 
ILE N     CA     sing N N 267 
ILE N     H      sing N N 268 
ILE N     H2     sing N N 269 
ILE CA    C      sing N N 270 
ILE CA    CB     sing N N 271 
ILE CA    HA     sing N N 272 
ILE C     O      doub N N 273 
ILE C     OXT    sing N N 274 
ILE CB    CG1    sing N N 275 
ILE CB    CG2    sing N N 276 
ILE CB    HB     sing N N 277 
ILE CG1   CD1    sing N N 278 
ILE CG1   HG12   sing N N 279 
ILE CG1   HG13   sing N N 280 
ILE CG2   HG21   sing N N 281 
ILE CG2   HG22   sing N N 282 
ILE CG2   HG23   sing N N 283 
ILE CD1   HD11   sing N N 284 
ILE CD1   HD12   sing N N 285 
ILE CD1   HD13   sing N N 286 
ILE OXT   HXT    sing N N 287 
LEU N     CA     sing N N 288 
LEU N     H      sing N N 289 
LEU N     H2     sing N N 290 
LEU CA    C      sing N N 291 
LEU CA    CB     sing N N 292 
LEU CA    HA     sing N N 293 
LEU C     O      doub N N 294 
LEU C     OXT    sing N N 295 
LEU CB    CG     sing N N 296 
LEU CB    HB2    sing N N 297 
LEU CB    HB3    sing N N 298 
LEU CG    CD1    sing N N 299 
LEU CG    CD2    sing N N 300 
LEU CG    HG     sing N N 301 
LEU CD1   HD11   sing N N 302 
LEU CD1   HD12   sing N N 303 
LEU CD1   HD13   sing N N 304 
LEU CD2   HD21   sing N N 305 
LEU CD2   HD22   sing N N 306 
LEU CD2   HD23   sing N N 307 
LEU OXT   HXT    sing N N 308 
LYS N     CA     sing N N 309 
LYS N     H      sing N N 310 
LYS N     H2     sing N N 311 
LYS CA    C      sing N N 312 
LYS CA    CB     sing N N 313 
LYS CA    HA     sing N N 314 
LYS C     O      doub N N 315 
LYS C     OXT    sing N N 316 
LYS CB    CG     sing N N 317 
LYS CB    HB2    sing N N 318 
LYS CB    HB3    sing N N 319 
LYS CG    CD     sing N N 320 
LYS CG    HG2    sing N N 321 
LYS CG    HG3    sing N N 322 
LYS CD    CE     sing N N 323 
LYS CD    HD2    sing N N 324 
LYS CD    HD3    sing N N 325 
LYS CE    NZ     sing N N 326 
LYS CE    HE2    sing N N 327 
LYS CE    HE3    sing N N 328 
LYS NZ    HZ1    sing N N 329 
LYS NZ    HZ2    sing N N 330 
LYS NZ    HZ3    sing N N 331 
LYS OXT   HXT    sing N N 332 
MET N     CA     sing N N 333 
MET N     H      sing N N 334 
MET N     H2     sing N N 335 
MET CA    C      sing N N 336 
MET CA    CB     sing N N 337 
MET CA    HA     sing N N 338 
MET C     O      doub N N 339 
MET C     OXT    sing N N 340 
MET CB    CG     sing N N 341 
MET CB    HB2    sing N N 342 
MET CB    HB3    sing N N 343 
MET CG    SD     sing N N 344 
MET CG    HG2    sing N N 345 
MET CG    HG3    sing N N 346 
MET SD    CE     sing N N 347 
MET CE    HE1    sing N N 348 
MET CE    HE2    sing N N 349 
MET CE    HE3    sing N N 350 
MET OXT   HXT    sing N N 351 
PHE N     CA     sing N N 352 
PHE N     H      sing N N 353 
PHE N     H2     sing N N 354 
PHE CA    C      sing N N 355 
PHE CA    CB     sing N N 356 
PHE CA    HA     sing N N 357 
PHE C     O      doub N N 358 
PHE C     OXT    sing N N 359 
PHE CB    CG     sing N N 360 
PHE CB    HB2    sing N N 361 
PHE CB    HB3    sing N N 362 
PHE CG    CD1    doub Y N 363 
PHE CG    CD2    sing Y N 364 
PHE CD1   CE1    sing Y N 365 
PHE CD1   HD1    sing N N 366 
PHE CD2   CE2    doub Y N 367 
PHE CD2   HD2    sing N N 368 
PHE CE1   CZ     doub Y N 369 
PHE CE1   HE1    sing N N 370 
PHE CE2   CZ     sing Y N 371 
PHE CE2   HE2    sing N N 372 
PHE CZ    HZ     sing N N 373 
PHE OXT   HXT    sing N N 374 
PRO N     CA     sing N N 375 
PRO N     CD     sing N N 376 
PRO N     H      sing N N 377 
PRO CA    C      sing N N 378 
PRO CA    CB     sing N N 379 
PRO CA    HA     sing N N 380 
PRO C     O      doub N N 381 
PRO C     OXT    sing N N 382 
PRO CB    CG     sing N N 383 
PRO CB    HB2    sing N N 384 
PRO CB    HB3    sing N N 385 
PRO CG    CD     sing N N 386 
PRO CG    HG2    sing N N 387 
PRO CG    HG3    sing N N 388 
PRO CD    HD2    sing N N 389 
PRO CD    HD3    sing N N 390 
PRO OXT   HXT    sing N N 391 
SER N     CA     sing N N 392 
SER N     H      sing N N 393 
SER N     H2     sing N N 394 
SER CA    C      sing N N 395 
SER CA    CB     sing N N 396 
SER CA    HA     sing N N 397 
SER C     O      doub N N 398 
SER C     OXT    sing N N 399 
SER CB    OG     sing N N 400 
SER CB    HB2    sing N N 401 
SER CB    HB3    sing N N 402 
SER OG    HG     sing N N 403 
SER OXT   HXT    sing N N 404 
THR N     CA     sing N N 405 
THR N     H      sing N N 406 
THR N     H2     sing N N 407 
THR CA    C      sing N N 408 
THR CA    CB     sing N N 409 
THR CA    HA     sing N N 410 
THR C     O      doub N N 411 
THR C     OXT    sing N N 412 
THR CB    OG1    sing N N 413 
THR CB    CG2    sing N N 414 
THR CB    HB     sing N N 415 
THR OG1   HG1    sing N N 416 
THR CG2   HG21   sing N N 417 
THR CG2   HG22   sing N N 418 
THR CG2   HG23   sing N N 419 
THR OXT   HXT    sing N N 420 
TRP N     CA     sing N N 421 
TRP N     H      sing N N 422 
TRP N     H2     sing N N 423 
TRP CA    C      sing N N 424 
TRP CA    CB     sing N N 425 
TRP CA    HA     sing N N 426 
TRP C     O      doub N N 427 
TRP C     OXT    sing N N 428 
TRP CB    CG     sing N N 429 
TRP CB    HB2    sing N N 430 
TRP CB    HB3    sing N N 431 
TRP CG    CD1    doub Y N 432 
TRP CG    CD2    sing Y N 433 
TRP CD1   NE1    sing Y N 434 
TRP CD1   HD1    sing N N 435 
TRP CD2   CE2    doub Y N 436 
TRP CD2   CE3    sing Y N 437 
TRP NE1   CE2    sing Y N 438 
TRP NE1   HE1    sing N N 439 
TRP CE2   CZ2    sing Y N 440 
TRP CE3   CZ3    doub Y N 441 
TRP CE3   HE3    sing N N 442 
TRP CZ2   CH2    doub Y N 443 
TRP CZ2   HZ2    sing N N 444 
TRP CZ3   CH2    sing Y N 445 
TRP CZ3   HZ3    sing N N 446 
TRP CH2   HH2    sing N N 447 
TRP OXT   HXT    sing N N 448 
TYR N     CA     sing N N 449 
TYR N     H      sing N N 450 
TYR N     H2     sing N N 451 
TYR CA    C      sing N N 452 
TYR CA    CB     sing N N 453 
TYR CA    HA     sing N N 454 
TYR C     O      doub N N 455 
TYR C     OXT    sing N N 456 
TYR CB    CG     sing N N 457 
TYR CB    HB2    sing N N 458 
TYR CB    HB3    sing N N 459 
TYR CG    CD1    doub Y N 460 
TYR CG    CD2    sing Y N 461 
TYR CD1   CE1    sing Y N 462 
TYR CD1   HD1    sing N N 463 
TYR CD2   CE2    doub Y N 464 
TYR CD2   HD2    sing N N 465 
TYR CE1   CZ     doub Y N 466 
TYR CE1   HE1    sing N N 467 
TYR CE2   CZ     sing Y N 468 
TYR CE2   HE2    sing N N 469 
TYR CZ    OH     sing N N 470 
TYR OH    HH     sing N N 471 
TYR OXT   HXT    sing N N 472 
U   OP3   P      sing N N 473 
U   OP3   HOP3   sing N N 474 
U   P     OP1    doub N N 475 
U   P     OP2    sing N N 476 
U   P     "O5'"  sing N N 477 
U   OP2   HOP2   sing N N 478 
U   "O5'" "C5'"  sing N N 479 
U   "C5'" "C4'"  sing N N 480 
U   "C5'" "H5'"  sing N N 481 
U   "C5'" "H5''" sing N N 482 
U   "C4'" "O4'"  sing N N 483 
U   "C4'" "C3'"  sing N N 484 
U   "C4'" "H4'"  sing N N 485 
U   "O4'" "C1'"  sing N N 486 
U   "C3'" "O3'"  sing N N 487 
U   "C3'" "C2'"  sing N N 488 
U   "C3'" "H3'"  sing N N 489 
U   "O3'" "HO3'" sing N N 490 
U   "C2'" "O2'"  sing N N 491 
U   "C2'" "C1'"  sing N N 492 
U   "C2'" "H2'"  sing N N 493 
U   "O2'" "HO2'" sing N N 494 
U   "C1'" N1     sing N N 495 
U   "C1'" "H1'"  sing N N 496 
U   N1    C2     sing N N 497 
U   N1    C6     sing N N 498 
U   C2    O2     doub N N 499 
U   C2    N3     sing N N 500 
U   N3    C4     sing N N 501 
U   N3    H3     sing N N 502 
U   C4    O4     doub N N 503 
U   C4    C5     sing N N 504 
U   C5    C6     doub N N 505 
U   C5    H5     sing N N 506 
U   C6    H6     sing N N 507 
VAL N     CA     sing N N 508 
VAL N     H      sing N N 509 
VAL N     H2     sing N N 510 
VAL CA    C      sing N N 511 
VAL CA    CB     sing N N 512 
VAL CA    HA     sing N N 513 
VAL C     O      doub N N 514 
VAL C     OXT    sing N N 515 
VAL CB    CG1    sing N N 516 
VAL CB    CG2    sing N N 517 
VAL CB    HB     sing N N 518 
VAL CG1   HG11   sing N N 519 
VAL CG1   HG12   sing N N 520 
VAL CG1   HG13   sing N N 521 
VAL CG2   HG21   sing N N 522 
VAL CG2   HG22   sing N N 523 
VAL CG2   HG23   sing N N 524 
VAL OXT   HXT    sing N N 525 
# 
loop_
_ndb_struct_conf_na.entry_id 
_ndb_struct_conf_na.feature 
9DCF 'double helix'        
9DCF 'a-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 G 2  1_555 C C 89 1_555 -0.047 -0.167 -0.917 -7.659  -0.642  -2.691   1  C_G1:C88_C  C 1  ? C 88 ? 19 1 
1 C A 4  1_555 C U 87 1_555 1.795  0.355  0.209  -6.895  5.839   -8.413   2  C_A3:U86_C  C 3  ? C 86 ? 20 1 
1 C A 5  1_555 C U 86 1_555 0.129  -0.018 0.078  -3.984  2.559   -2.169   3  C_A4:U85_C  C 4  ? C 85 ? 20 1 
1 C A 6  1_555 C U 85 1_555 0.030  0.045  -0.284 -6.557  -1.762  4.047    4  C_A5:U84_C  C 5  ? C 84 ? 20 1 
1 C A 7  1_555 C U 84 1_555 -0.441 0.587  0.061  -6.698  8.707   5.146    5  C_A6:U83_C  C 6  ? C 83 ? ?  ? 
1 C C 8  1_555 C G 83 1_555 0.200  -0.092 0.006  2.303   4.836   -1.681   6  C_C7:G82_C  C 7  ? C 82 ? 19 1 
1 C A 9  1_555 C U 82 1_555 0.735  0.479  -0.461 -7.464  -7.275  -6.133   7  C_A8:U81_C  C 8  ? C 81 ? 20 1 
1 C G 47 1_555 C C 80 1_555 -0.237 -0.131 0.233  -12.112 -8.288  0.156    8  C_G46:C79_C C 46 ? C 79 ? 19 1 
1 C C 48 1_555 C G 79 1_555 0.171  -0.031 0.123  -9.381  -7.362  1.063    9  C_C47:G78_C C 47 ? C 78 ? 19 1 
1 C G 51 1_555 C C 78 1_555 -0.214 -0.264 -0.535 -11.209 -3.353  -0.657   10 C_G50:C77_C C 50 ? C 77 ? 19 1 
1 C C 52 1_555 C G 77 1_555 0.145  -0.232 0.197  -4.385  -4.545  -0.826   11 C_C51:G76_C C 51 ? C 76 ? 19 1 
1 C A 53 1_555 C U 76 1_555 0.137  -0.120 0.037  -1.112  -4.292  3.058    12 C_A52:U75_C C 52 ? C 75 ? 20 1 
1 C C 54 1_555 C G 75 1_555 0.315  -0.243 0.745  8.211   -7.533  0.401    13 C_C53:G74_C C 53 ? C 74 ? 19 1 
1 C U 55 1_555 C U 74 1_555 2.595  -2.207 1.176  4.324   -16.206 15.222   14 C_U54:U73_C C 54 ? C 73 ? 16 1 
1 C C 56 1_555 C U 73 1_555 -0.125 -1.708 0.675  6.116   -17.912 11.598   15 C_C55:U72_C C 55 ? C 72 ? 18 1 
1 C U 57 1_555 C U 72 1_555 -2.448 -1.189 0.305  -5.195  -1.441  3.181    16 C_U56:U71_C C 56 ? C 71 ? 16 1 
1 C G 58 1_555 C C 71 1_555 -0.235 -0.123 0.486  -2.004  4.072   -2.525   17 C_G57:C70_C C 57 ? C 70 ? 19 1 
1 C G 59 1_555 C C 70 1_555 -0.135 -0.018 -0.096 -8.455  -3.616  -2.050   18 C_G58:C69_C C 58 ? C 69 ? 19 1 
1 C U 60 1_555 C A 69 1_555 -0.116 -0.038 0.079  -6.817  -1.771  1.366    19 C_U59:A68_C C 59 ? C 68 ? 20 1 
1 C A 61 1_555 C U 68 1_555 -0.011 -0.019 0.112  -6.055  -4.590  3.690    20 C_A60:U67_C C 60 ? C 67 ? 20 1 
1 C U 62 1_555 C G 67 1_555 2.358  -0.591 0.152  5.768   -7.063  1.970    21 C_U61:G66_C C 61 ? C 66 ? 28 1 
1 C C 63 1_555 C G 66 1_555 0.539  -4.871 0.213  -24.167 -9.012  -109.928 22 C_C62:G65_C C 62 ? C 65 ? ?  6 
1 C C 32 1_555 C G 14 1_555 0.138  -0.271 0.006  7.743   -1.013  -5.060   23 C_C31:G13_C C 31 ? C 13 ? 19 1 
1 C A 33 1_555 C U 13 1_555 -0.041 -0.162 -0.587 5.851   5.380   0.798    24 C_A32:U12_C C 32 ? C 12 ? 20 1 
1 C G 34 1_555 C C 12 1_555 0.354  0.655  -0.422 4.001   -10.143 -3.673   25 C_G33:C11_C C 33 ? C 11 ? 19 1 
1 C G 35 1_555 C C 11 1_555 -0.112 -0.105 0.461  1.072   -2.127  -1.987   26 C_G34:C10_C C 34 ? C 10 ? 19 1 
1 C G 36 1_555 C C 46 1_555 -0.006 -0.058 -0.345 -7.180  0.087   -1.201   27 C_G35:C45_C C 35 ? C 45 ? 19 1 
1 C C 37 1_555 C G 45 1_555 0.182  -0.128 0.120  1.838   3.207   0.305    28 C_C36:G44_C C 36 ? C 44 ? 19 1 
1 C C 38 1_555 C G 44 1_555 0.118  -0.040 0.240  -2.679  -4.068  0.071    29 C_C37:G43_C C 37 ? C 43 ? 19 1 
1 C C 39 1_555 C G 43 1_555 0.102  -0.322 1.209  3.067   -2.444  2.073    30 C_C38:G42_C C 38 ? C 42 ? 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 A 4  1_555 C U 87 1_555 C A 5  1_555 C U 86 1_555 0.211  -1.434 3.620 0.547   3.639  27.310 -3.971 -0.299 3.407 7.662   -1.151 
27.552 1  CC_A3A4:U85U86_CC   C 3  ? C 86 ? C 4  ? C 85 ? 
1 C A 5  1_555 C U 86 1_555 C A 6  1_555 C U 85 1_555 1.304  -1.894 3.309 6.783   8.680  33.247 -4.436 -1.166 2.939 14.677  
-11.470 34.976 2  CC_A4A5:U84U85_CC   C 4  ? C 85 ? C 5  ? C 84 ? 
1 C A 6  1_555 C U 85 1_555 C A 7  1_555 C U 84 1_555 -0.548 -1.681 3.187 -4.659  9.838  25.519 -5.646 0.133  2.443 21.091  9.989 
27.708 3  CC_A5A6:U83U84_CC   C 5  ? C 84 ? C 6  ? C 83 ? 
1 C A 7  1_555 C U 84 1_555 C C 8  1_555 C G 83 1_555 -0.895 -1.553 3.067 2.330   5.613  31.932 -3.650 1.963  2.692 10.089  -4.188 
32.490 4  CC_A6C7:G82U83_CC   C 6  ? C 83 ? C 7  ? C 82 ? 
1 C C 8  1_555 C G 83 1_555 C A 9  1_555 C U 82 1_555 0.568  -1.661 3.277 6.511   22.671 36.272 -4.250 -0.204 2.018 32.538  -9.345 
43.049 5  CC_C7A8:U81G82_CC   C 7  ? C 82 ? C 8  ? C 81 ? 
1 C A 9  1_555 C U 82 1_555 C G 47 1_555 C C 80 1_555 0.584  -3.333 6.386 -8.852  6.324  62.124 -3.726 -1.309 5.933 6.079   8.508 
62.976 6  CC_A8G46:C79U81_CC  C 8  ? C 81 ? C 46 ? C 79 ? 
1 C G 47 1_555 C C 80 1_555 C C 48 1_555 C G 79 1_555 -1.246 -2.448 3.194 4.258   3.568  38.689 -4.057 2.337  2.818 5.351   -6.387 
39.070 7  CC_G46C47:G78C79_CC C 46 ? C 79 ? C 47 ? C 78 ? 
1 C C 48 1_555 C G 79 1_555 C G 51 1_555 C C 78 1_555 -2.462 -2.156 3.363 5.328   4.203  44.607 -3.173 3.668  2.862 5.500   -6.971 
45.094 8  CC_C47G50:C77G78_CC C 47 ? C 78 ? C 50 ? C 77 ? 
1 C G 51 1_555 C C 78 1_555 C C 52 1_555 C G 77 1_555 -0.601 -1.443 3.096 -4.936  4.378  32.880 -3.174 0.285  2.942 7.639   8.613 
33.518 9  CC_G50C51:G76C77_CC C 50 ? C 77 ? C 51 ? C 76 ? 
1 C C 52 1_555 C G 77 1_555 C A 53 1_555 C U 76 1_555 0.538  -1.481 3.163 2.379   7.381  29.240 -4.216 -0.587 2.749 14.306  -4.611 
30.229 10 CC_C51A52:U75G76_CC C 51 ? C 76 ? C 52 ? C 75 ? 
1 C A 53 1_555 C U 76 1_555 C C 54 1_555 C G 75 1_555 0.304  -0.938 3.209 -2.030  3.641  29.260 -2.581 -1.010 3.045 7.162   3.994 
29.549 11 CC_A52C53:G74U75_CC C 52 ? C 75 ? C 53 ? C 74 ? 
1 C C 54 1_555 C G 75 1_555 C U 55 1_555 C U 74 1_555 0.495  -1.168 3.142 -2.185  6.358  45.909 -1.986 -0.801 2.939 8.100   2.784 
46.372 12 CC_C53U54:U73G74_CC C 53 ? C 74 ? C 54 ? C 73 ? 
1 C U 55 1_555 C U 74 1_555 C C 56 1_555 C U 73 1_555 -0.593 -2.090 2.904 1.322   8.317  24.317 -6.518 1.621  2.053 19.028  -3.025 
25.713 13 CC_U54C55:U72U73_CC C 54 ? C 73 ? C 55 ? C 72 ? 
1 C C 56 1_555 C U 73 1_555 C U 57 1_555 C U 72 1_555 -0.883 -2.088 3.443 -2.247  8.090  24.990 -6.675 1.356  2.713 18.057  5.015 
26.341 14 CC_C55U56:U71U72_CC C 55 ? C 72 ? C 56 ? C 71 ? 
1 C U 57 1_555 C U 72 1_555 C G 58 1_555 C C 71 1_555 0.020  -1.529 3.086 -1.052  2.867  34.027 -3.022 -0.188 2.949 4.888   1.793 
34.160 15 CC_U56G57:C70U71_CC C 56 ? C 71 ? C 57 ? C 70 ? 
1 C G 58 1_555 C C 71 1_555 C G 59 1_555 C C 70 1_555 0.608  -2.660 3.287 9.297   2.876  30.807 -5.295 0.553  3.081 5.252   
-16.978 32.272 16 CC_G57G58:C69C70_CC C 57 ? C 70 ? C 58 ? C 69 ? 
1 C G 59 1_555 C C 70 1_555 C U 60 1_555 C A 69 1_555 -0.054 -1.273 3.167 -1.299  7.164  33.554 -3.203 -0.098 2.843 12.230  2.218 
34.313 17 CC_G58U59:A68C69_CC C 58 ? C 69 ? C 59 ? C 68 ? 
1 C U 60 1_555 C A 69 1_555 C A 61 1_555 C U 68 1_555 0.431  -1.548 2.988 1.089   16.117 32.004 -4.406 -0.575 2.016 27.177  -1.836 
35.754 18 CC_U59A60:U67A68_CC C 59 ? C 68 ? C 60 ? C 67 ? 
1 C A 61 1_555 C U 68 1_555 C U 62 1_555 C G 67 1_555 -0.382 -0.710 3.167 -0.876  1.961  38.598 -1.306 0.473  3.136 2.964   1.324 
38.655 19 CC_A60U61:G66U67_CC C 60 ? C 67 ? C 61 ? C 66 ? 
1 C U 62 1_555 C G 67 1_555 C C 63 1_555 C G 66 1_555 -2.293 -0.491 3.566 14.424  11.453 91.323 -0.565 1.868  3.198 7.942   
-10.002 92.757 20 CC_U61C62:G65G66_CC C 61 ? C 66 ? C 62 ? C 65 ? 
1 C C 32 1_555 C G 14 1_555 C A 33 1_555 C U 13 1_555 -0.012 -1.371 3.504 -3.096  12.256 24.835 -5.728 -0.702 2.541 26.423  6.675 
27.821 21 CC_C31A32:U12G13_CC C 31 ? C 13 ? C 32 ? C 12 ? 
1 C A 33 1_555 C U 13 1_555 C G 34 1_555 C C 12 1_555 -0.197 -2.187 3.397 -0.496  8.478  28.777 -5.881 0.284  2.662 16.608  0.972 
29.978 22 CC_A32G33:C11U12_CC C 32 ? C 12 ? C 33 ? C 11 ? 
1 C G 34 1_555 C C 12 1_555 C G 35 1_555 C C 11 1_555 -0.628 -1.999 3.056 -10.270 -3.957 33.217 -2.731 -0.505 3.309 -6.698  17.381 
34.944 23 CC_G33G34:C10C11_CC C 33 ? C 11 ? C 34 ? C 10 ? 
1 C G 35 1_555 C C 11 1_555 C G 36 1_555 C C 46 1_555 -0.066 -3.245 3.559 5.297   7.391  23.194 -9.608 1.644  2.356 17.542  
-12.572 24.890 24 CC_G34G35:C45C10_CC C 34 ? C 10 ? C 35 ? C 45 ? 
1 C G 36 1_555 C C 46 1_555 C C 37 1_555 C G 45 1_555 0.145  -1.671 3.181 -3.246  3.837  34.572 -3.332 -0.704 2.959 6.414   5.426 
34.925 25 CC_G35C36:G44C45_CC C 35 ? C 45 ? C 36 ? C 44 ? 
1 C C 37 1_555 C G 45 1_555 C C 38 1_555 C G 44 1_555 0.592  -1.886 3.291 4.278   7.470  34.764 -4.102 -0.373 2.888 12.271  -7.027 
35.781 26 CC_C36C37:G43G44_CC C 36 ? C 44 ? C 37 ? C 43 ? 
1 C C 38 1_555 C G 44 1_555 C C 39 1_555 C G 43 1_555 0.200  -2.422 3.457 -6.200  -4.349 20.097 -4.523 -3.362 3.668 -11.928 17.007 
21.462 27 CC_C37C38:G42G43_CC C 37 ? C 43 ? C 38 ? C 42 ? 
# 
_pdbx_audit_support.funding_organization   
'National Institutes of Health/National Institute Of Allergy and Infectious Diseases (NIH/NIAID)' 
_pdbx_audit_support.country                'United States' 
_pdbx_audit_support.grant_number           'R21 AI157336' 
_pdbx_audit_support.ordinal                1 
# 
loop_
_pdbx_initial_refinement_model.id 
_pdbx_initial_refinement_model.entity_id_list 
_pdbx_initial_refinement_model.type 
_pdbx_initial_refinement_model.source_name 
_pdbx_initial_refinement_model.accession_code 
_pdbx_initial_refinement_model.details 
1 1 'experimental model' PDB 3ZYD ? 
2 2 'experimental model' PDB 8SP9 ? 
# 
_atom_sites.entry_id                    9DCF 
_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]   0.010987 
_atom_sites.fract_transf_matrix[1][2]   0.000000 
_atom_sites.fract_transf_matrix[1][3]   0.000000 
_atom_sites.fract_transf_matrix[2][1]   0.000000 
_atom_sites.fract_transf_matrix[2][2]   0.004980 
_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]   0.014062 
_atom_sites.fract_transf_vector[1]      0.00000 
_atom_sites.fract_transf_vector[2]      0.00000 
_atom_sites.fract_transf_vector[3]      0.00000 
_atom_sites.solution_primary            ? 
_atom_sites.solution_secondary          ? 
_atom_sites.solution_hydrogens          ? 
_atom_sites.special_details             ? 
# 
loop_
_atom_type.symbol 
C 
N 
O 
P 
S 
# 
loop_
_atom_site.group_PDB 
_atom_site.id 
_atom_site.type_symbol 
_atom_site.label_atom_id 
_atom_site.label_alt_id 
_atom_site.label_comp_id 
_atom_site.label_asym_id 
_atom_site.label_entity_id 
_atom_site.label_seq_id 
_atom_site.pdbx_PDB_ins_code 
_atom_site.Cartn_x 
_atom_site.Cartn_y 
_atom_site.Cartn_z 
_atom_site.occupancy 
_atom_site.B_iso_or_equiv 
_atom_site.pdbx_formal_charge 
_atom_site.auth_seq_id 
_atom_site.auth_comp_id 
_atom_site.auth_asym_id 
_atom_site.auth_atom_id 
_atom_site.pdbx_PDB_model_num 
ATOM   1    N N     . GLY A 1 3   ? -0.405  52.860 25.010 1.00 50.62  ? 1   GLY A N     1 
ATOM   2    C CA    . GLY A 1 3   ? -1.165  51.847 24.285 1.00 52.00  ? 1   GLY A CA    1 
ATOM   3    C C     . GLY A 1 3   ? -0.558  50.453 24.378 1.00 51.97  ? 1   GLY A C     1 
ATOM   4    O O     . GLY A 1 3   ? 0.091   50.135 25.382 1.00 53.93  ? 1   GLY A O     1 
ATOM   5    N N     . PRO A 1 4   ? -0.756  49.611 23.341 1.00 53.25  ? 2   PRO A N     1 
ATOM   6    C CA    . PRO A 1 4   ? -0.161  48.269 23.369 1.00 52.39  ? 2   PRO A CA    1 
ATOM   7    C C     . PRO A 1 4   ? 1.224   48.268 22.741 1.00 53.36  ? 2   PRO A C     1 
ATOM   8    O O     . PRO A 1 4   ? 2.056   47.429 23.098 1.00 51.79  ? 2   PRO A O     1 
ATOM   9    C CB    . PRO A 1 4   ? -1.144  47.419 22.554 1.00 50.15  ? 2   PRO A CB    1 
ATOM   10   C CG    . PRO A 1 4   ? -2.233  48.366 22.141 1.00 56.74  ? 2   PRO A CG    1 
ATOM   11   C CD    . PRO A 1 4   ? -1.656  49.747 22.198 1.00 54.53  ? 2   PRO A CD    1 
ATOM   12   N N     . ALA A 1 5   ? 1.485   49.185 21.798 1.00 50.44  ? 3   ALA A N     1 
ATOM   13   C CA    . ALA A 1 5   ? 2.855   49.356 21.313 1.00 50.58  ? 3   ALA A CA    1 
ATOM   14   C C     . ALA A 1 5   ? 3.789   49.828 22.434 1.00 47.73  ? 3   ALA A C     1 
ATOM   15   O O     . ALA A 1 5   ? 4.919   49.335 22.567 1.00 45.03  ? 3   ALA A O     1 
ATOM   16   C CB    . ALA A 1 5   ? 2.876   50.324 20.128 1.00 48.90  ? 3   ALA A CB    1 
ATOM   17   N N     . PHE A 1 6   ? 3.322   50.760 23.266 1.00 48.32  ? 4   PHE A N     1 
ATOM   18   C CA    . PHE A 1 6   ? 4.122   51.206 24.401 1.00 49.22  ? 4   PHE A CA    1 
ATOM   19   C C     . PHE A 1 6   ? 4.268   50.090 25.427 1.00 46.74  ? 4   PHE A C     1 
ATOM   20   O O     . PHE A 1 6   ? 5.333   49.920 26.036 1.00 46.12  ? 4   PHE A O     1 
ATOM   21   C CB    . PHE A 1 6   ? 3.492   52.461 25.008 1.00 49.97  ? 4   PHE A CB    1 
ATOM   22   C CG    . PHE A 1 6   ? 4.254   53.039 26.166 1.00 49.54  ? 4   PHE A CG    1 
ATOM   23   C CD1   . PHE A 1 6   ? 4.046   52.574 27.466 1.00 53.55  ? 4   PHE A CD1   1 
ATOM   24   C CD2   . PHE A 1 6   ? 5.186   54.047 25.950 1.00 48.10  ? 4   PHE A CD2   1 
ATOM   25   C CE1   . PHE A 1 6   ? 4.745   53.121 28.542 1.00 53.02  ? 4   PHE A CE1   1 
ATOM   26   C CE2   . PHE A 1 6   ? 5.903   54.596 27.000 1.00 48.32  ? 4   PHE A CE2   1 
ATOM   27   C CZ    . PHE A 1 6   ? 5.686   54.133 28.303 1.00 54.75  ? 4   PHE A CZ    1 
ATOM   28   N N     . GLU A 1 7   ? 3.198   49.329 25.633 1.00 51.63  ? 5   GLU A N     1 
ATOM   29   C CA    . GLU A 1 7   ? 3.224   48.241 26.598 1.00 50.88  ? 5   GLU A CA    1 
ATOM   30   C C     . GLU A 1 7   ? 4.108   47.096 26.110 1.00 50.59  ? 5   GLU A C     1 
ATOM   31   O O     . GLU A 1 7   ? 4.645   46.326 26.921 1.00 50.07  ? 5   GLU A O     1 
ATOM   32   C CB    . GLU A 1 7   ? 1.795   47.783 26.878 1.00 51.45  ? 5   GLU A CB    1 
ATOM   33   C CG    . GLU A 1 7   ? 1.693   46.800 27.999 1.00 52.68  ? 5   GLU A CG    1 
ATOM   34   C CD    . GLU A 1 7   ? 0.781   45.624 27.680 1.00 56.04  ? 5   GLU A CD    1 
ATOM   35   O OE1   . GLU A 1 7   ? -0.403  45.801 27.274 1.00 56.86  ? 5   GLU A OE1   1 
ATOM   36   O OE2   . GLU A 1 7   ? 1.294   44.505 27.774 1.00 54.22  ? 5   GLU A OE2   1 
ATOM   37   N N     . PHE A 1 8   ? 4.251   46.958 24.792 1.00 47.59  ? 6   PHE A N     1 
ATOM   38   C CA    . PHE A 1 8   ? 5.201   46.007 24.233 1.00 45.50  ? 6   PHE A CA    1 
ATOM   39   C C     . PHE A 1 8   ? 6.637   46.504 24.380 1.00 43.25  ? 6   PHE A C     1 
ATOM   40   O O     . PHE A 1 8   ? 7.518   45.750 24.821 1.00 40.77  ? 6   PHE A O     1 
ATOM   41   C CB    . PHE A 1 8   ? 4.849   45.767 22.765 1.00 45.29  ? 6   PHE A CB    1 
ATOM   42   C CG    . PHE A 1 8   ? 5.795   44.875 22.054 1.00 41.95  ? 6   PHE A CG    1 
ATOM   43   C CD1   . PHE A 1 8   ? 6.838   45.408 21.329 1.00 41.40  ? 6   PHE A CD1   1 
ATOM   44   C CD2   . PHE A 1 8   ? 5.645   43.498 22.123 1.00 41.39  ? 6   PHE A CD2   1 
ATOM   45   C CE1   . PHE A 1 8   ? 7.734   44.577 20.681 1.00 42.79  ? 6   PHE A CE1   1 
ATOM   46   C CE2   . PHE A 1 8   ? 6.520   42.655 21.483 1.00 41.24  ? 6   PHE A CE2   1 
ATOM   47   C CZ    . PHE A 1 8   ? 7.572   43.188 20.757 1.00 42.43  ? 6   PHE A CZ    1 
ATOM   48   N N     . ALA A 1 9   ? 6.872   47.788 24.055 1.00 45.26  ? 7   ALA A N     1 
ATOM   49   C CA    . ALA A 1 9   ? 8.222   48.351 24.049 1.00 42.47  ? 7   ALA A CA    1 
ATOM   50   C C     . ALA A 1 9   ? 8.822   48.388 25.443 1.00 43.40  ? 7   ALA A C     1 
ATOM   51   O O     . ALA A 1 9   ? 10.024  48.143 25.625 1.00 42.31  ? 7   ALA A O     1 
ATOM   52   C CB    . ALA A 1 9   ? 8.191   49.768 23.479 1.00 42.03  ? 7   ALA A CB    1 
ATOM   53   N N     . VAL A 1 10  ? 8.001   48.701 26.441 1.00 43.60  ? 8   VAL A N     1 
ATOM   54   C CA    . VAL A 1 10  ? 8.522   48.803 27.792 1.00 40.43  ? 8   VAL A CA    1 
ATOM   55   C C     . VAL A 1 10  ? 8.962   47.441 28.288 1.00 41.75  ? 8   VAL A C     1 
ATOM   56   O O     . VAL A 1 10  ? 10.082  47.285 28.792 1.00 40.43  ? 8   VAL A O     1 
ATOM   57   C CB    . VAL A 1 10  ? 7.482   49.447 28.709 1.00 40.53  ? 8   VAL A CB    1 
ATOM   58   C CG1   . VAL A 1 10  ? 7.745   49.057 30.134 1.00 43.33  ? 8   VAL A CG1   1 
ATOM   59   C CG2   . VAL A 1 10  ? 7.533   50.944 28.524 1.00 42.11  ? 8   VAL A CG2   1 
ATOM   60   N N     . ALA A 1 11  ? 8.109   46.428 28.130 1.00 38.71  ? 9   ALA A N     1 
ATOM   61   C CA    . ALA A 1 11  ? 8.545   45.069 28.431 1.00 38.64  ? 9   ALA A CA    1 
ATOM   62   C C     . ALA A 1 11  ? 9.814   44.718 27.662 1.00 40.33  ? 9   ALA A C     1 
ATOM   63   O O     . ALA A 1 11  ? 10.768  44.196 28.240 1.00 40.91  ? 9   ALA A O     1 
ATOM   64   C CB    . ALA A 1 11  ? 7.434   44.073 28.129 1.00 40.82  ? 9   ALA A CB    1 
ATOM   65   N N     . MET A 1 12  ? 9.841   45.014 26.351 1.00 41.83  ? 10  MET A N     1 
ATOM   66   C CA    . MET A 1 12  ? 10.976  44.695 25.481 1.00 39.22  ? 10  MET A CA    1 
ATOM   67   C C     . MET A 1 12  ? 12.297  45.248 25.991 1.00 39.44  ? 10  MET A C     1 
ATOM   68   O O     . MET A 1 12  ? 13.311  44.536 26.035 1.00 39.68  ? 10  MET A O     1 
ATOM   69   C CB    . MET A 1 12  ? 10.704  45.249 24.082 1.00 43.68  ? 10  MET A CB    1 
ATOM   70   C CG    . MET A 1 12  ? 11.515  44.613 22.946 1.00 40.27  ? 10  MET A CG    1 
ATOM   71   S SD    . MET A 1 12  ? 11.749  42.839 23.100 1.00 46.09  ? 10  MET A SD    1 
ATOM   72   C CE    . MET A 1 12  ? 13.165  42.610 22.069 1.00 46.46  ? 10  MET A CE    1 
ATOM   73   N N     . MET A 1 13  ? 12.308  46.528 26.359 1.00 37.43  ? 11  MET A N     1 
ATOM   74   C CA    . MET A 1 13  ? 13.530  47.133 26.869 1.00 37.25  ? 11  MET A CA    1 
ATOM   75   C C     . MET A 1 13  ? 13.851  46.652 28.282 1.00 38.70  ? 11  MET A C     1 
ATOM   76   O O     . MET A 1 13  ? 15.019  46.453 28.624 1.00 37.74  ? 11  MET A O     1 
ATOM   77   C CB    . MET A 1 13  ? 13.392  48.655 26.847 1.00 36.79  ? 11  MET A CB    1 
ATOM   78   C CG    . MET A 1 13  ? 13.480  49.354 25.496 1.00 42.14  ? 11  MET A CG    1 
ATOM   79   S SD    . MET A 1 13  ? 14.797  48.953 24.274 1.00 40.70  ? 11  MET A SD    1 
ATOM   80   C CE    . MET A 1 13  ? 14.247  47.330 23.692 1.00 38.08  ? 11  MET A CE    1 
ATOM   81   N N     . LYS A 1 14  ? 12.828  46.407 29.096 1.00 41.13  ? 12  LYS A N     1 
ATOM   82   C CA    . LYS A 1 14  ? 13.053  45.931 30.448 1.00 38.24  ? 12  LYS A CA    1 
ATOM   83   C C     . LYS A 1 14  ? 13.753  44.578 30.441 1.00 39.45  ? 12  LYS A C     1 
ATOM   84   O O     . LYS A 1 14  ? 14.697  44.363 31.212 1.00 42.38  ? 12  LYS A O     1 
ATOM   85   C CB    . LYS A 1 14  ? 11.700  45.878 31.172 1.00 38.79  ? 12  LYS A CB    1 
ATOM   86   C CG    . LYS A 1 14  ? 11.650  45.199 32.536 1.00 39.35  ? 12  LYS A CG    1 
ATOM   87   C CD    . LYS A 1 14  ? 10.257  45.373 33.179 1.00 39.01  ? 12  LYS A CD    1 
ATOM   88   C CE    . LYS A 1 14  ? 9.956   46.860 33.417 1.00 42.08  ? 12  LYS A CE    1 
ATOM   89   N NZ    . LYS A 1 14  ? 10.275  47.280 34.841 1.00 49.48  ? 12  LYS A NZ    1 
ATOM   90   N N     . ARG A 1 15  ? 13.330  43.662 29.563 1.00 36.67  ? 13  ARG A N     1 
ATOM   91   C CA    . ARG A 1 15  ? 13.825  42.286 29.635 1.00 38.55  ? 13  ARG A CA    1 
ATOM   92   C C     . ARG A 1 15  ? 14.887  41.945 28.600 1.00 42.62  ? 13  ARG A C     1 
ATOM   93   O O     . ARG A 1 15  ? 15.521  40.880 28.708 1.00 42.71  ? 13  ARG A O     1 
ATOM   94   C CB    . ARG A 1 15  ? 12.685  41.275 29.487 1.00 37.50  ? 13  ARG A CB    1 
ATOM   95   C CG    . ARG A 1 15  ? 11.334  41.888 29.583 1.00 39.91  ? 13  ARG A CG    1 
ATOM   96   C CD    . ARG A 1 15  ? 10.268  40.866 29.808 1.00 42.79  ? 13  ARG A CD    1 
ATOM   97   N NE    . ARG A 1 15  ? 10.886  39.552 29.850 1.00 42.61  ? 13  ARG A NE    1 
ATOM   98   C CZ    . ARG A 1 15  ? 10.653  38.650 30.790 1.00 46.49  ? 13  ARG A CZ    1 
ATOM   99   N NH1   . ARG A 1 15  ? 9.804   38.895 31.798 1.00 42.27  ? 13  ARG A NH1   1 
ATOM   100  N NH2   . ARG A 1 15  ? 11.301  37.485 30.728 1.00 46.10  ? 13  ARG A NH2   1 
ATOM   101  N N     . ASN A 1 16  ? 15.069  42.783 27.580 1.00 43.28  ? 14  ASN A N     1 
ATOM   102  C CA    . ASN A 1 16  ? 15.974  42.442 26.505 1.00 40.73  ? 14  ASN A CA    1 
ATOM   103  C C     . ASN A 1 16  ? 16.920  43.571 26.110 1.00 42.31  ? 14  ASN A C     1 
ATOM   104  O O     . ASN A 1 16  ? 17.834  43.340 25.297 1.00 43.76  ? 14  ASN A O     1 
ATOM   105  C CB    . ASN A 1 16  ? 15.165  41.967 25.288 1.00 39.52  ? 14  ASN A CB    1 
ATOM   106  C CG    . ASN A 1 16  ? 14.829  40.475 25.348 1.00 40.60  ? 14  ASN A CG    1 
ATOM   107  O OD1   . ASN A 1 16  ? 13.732  40.087 25.733 1.00 41.35  ? 14  ASN A OD1   1 
ATOM   108  N ND2   . ASN A 1 16  ? 15.779  39.639 24.949 1.00 43.64  ? 14  ASN A ND2   1 
ATOM   109  N N     . SER A 1 17  ? 16.735  44.776 26.632 1.00 40.26  ? 15  SER A N     1 
ATOM   110  C CA    . SER A 1 17  ? 17.618  45.866 26.269 1.00 38.52  ? 15  SER A CA    1 
ATOM   111  C C     . SER A 1 17  ? 18.681  46.049 27.333 1.00 45.76  ? 15  SER A C     1 
ATOM   112  O O     . SER A 1 17  ? 18.562  45.574 28.467 1.00 47.03  ? 15  SER A O     1 
ATOM   113  C CB    . SER A 1 17  ? 16.835  47.154 26.066 1.00 38.23  ? 15  SER A CB    1 
ATOM   114  O OG    . SER A 1 17  ? 17.469  48.271 26.652 1.00 39.46  ? 15  SER A OG    1 
ATOM   115  N N     . SER A 1 18  ? 19.708  46.805 26.957 1.00 47.11  ? 16  SER A N     1 
ATOM   116  C CA    . SER A 1 18  ? 20.857  47.062 27.812 1.00 43.06  ? 16  SER A CA    1 
ATOM   117  C C     . SER A 1 18  ? 21.538  48.322 27.303 1.00 44.14  ? 16  SER A C     1 
ATOM   118  O O     . SER A 1 18  ? 21.273  48.759 26.184 1.00 48.54  ? 16  SER A O     1 
ATOM   119  C CB    . SER A 1 18  ? 21.811  45.871 27.781 1.00 40.22  ? 16  SER A CB    1 
ATOM   120  O OG    . SER A 1 18  ? 23.133  46.334 27.690 1.00 42.84  ? 16  SER A OG    1 
ATOM   121  N N     . THR A 1 19  ? 22.387  48.928 28.133 1.00 43.42  ? 17  THR A N     1 
ATOM   122  C CA    . THR A 1 19  ? 23.230  50.042 27.702 1.00 45.13  ? 17  THR A CA    1 
ATOM   123  C C     . THR A 1 19  ? 24.647  49.522 27.547 1.00 49.42  ? 17  THR A C     1 
ATOM   124  O O     . THR A 1 19  ? 25.137  48.809 28.427 1.00 51.98  ? 17  THR A O     1 
ATOM   125  C CB    . THR A 1 19  ? 23.197  51.225 28.686 1.00 44.30  ? 17  THR A CB    1 
ATOM   126  O OG1   . THR A 1 19  ? 22.061  52.037 28.414 1.00 50.26  ? 17  THR A OG1   1 
ATOM   127  C CG2   . THR A 1 19  ? 24.409  52.108 28.543 1.00 43.88  ? 17  THR A CG2   1 
ATOM   128  N N     . VAL A 1 20  ? 25.301  49.851 26.431 1.00 48.88  ? 18  VAL A N     1 
ATOM   129  C CA    . VAL A 1 20  ? 26.630  49.334 26.150 1.00 46.37  ? 18  VAL A CA    1 
ATOM   130  C C     . VAL A 1 20  ? 27.560  50.483 25.800 1.00 49.59  ? 18  VAL A C     1 
ATOM   131  O O     . VAL A 1 20  ? 27.159  51.439 25.129 1.00 51.14  ? 18  VAL A O     1 
ATOM   132  C CB    . VAL A 1 20  ? 26.563  48.266 25.050 1.00 47.00  ? 18  VAL A CB    1 
ATOM   133  C CG1   . VAL A 1 20  ? 27.827  48.224 24.238 1.00 50.72  ? 18  VAL A CG1   1 
ATOM   134  C CG2   . VAL A 1 20  ? 26.328  46.951 25.723 1.00 47.57  ? 18  VAL A CG2   1 
ATOM   135  N N     . LYS A 1 21  ? 28.785  50.420 26.318 1.00 53.21  ? 19  LYS A N     1 
ATOM   136  C CA    . LYS A 1 21  ? 29.786  51.453 26.107 1.00 57.16  ? 19  LYS A CA    1 
ATOM   137  C C     . LYS A 1 21  ? 30.983  50.878 25.347 1.00 61.72  ? 19  LYS A C     1 
ATOM   138  O O     . LYS A 1 21  ? 31.521  49.823 25.708 1.00 56.84  ? 19  LYS A O     1 
ATOM   139  C CB    . LYS A 1 21  ? 30.198  52.074 27.454 1.00 58.45  ? 19  LYS A CB    1 
ATOM   140  C CG    . LYS A 1 21  ? 31.080  53.335 27.355 1.00 64.94  ? 19  LYS A CG    1 
ATOM   141  C CD    . LYS A 1 21  ? 30.342  54.640 27.729 1.00 69.76  ? 19  LYS A CD    1 
ATOM   142  C CE    . LYS A 1 21  ? 31.273  55.862 27.516 1.00 77.51  ? 19  LYS A CE    1 
ATOM   143  N NZ    . LYS A 1 21  ? 30.664  56.963 26.674 1.00 73.30  ? 19  LYS A NZ    1 
ATOM   144  N N     . THR A 1 22  ? 31.372  51.556 24.270 1.00 69.90  ? 20  THR A N     1 
ATOM   145  C CA    . THR A 1 22  ? 32.523  51.148 23.481 1.00 74.49  ? 20  THR A CA    1 
ATOM   146  C C     . THR A 1 22  ? 33.386  52.373 23.280 1.00 84.14  ? 20  THR A C     1 
ATOM   147  O O     . THR A 1 22  ? 33.053  53.458 23.779 1.00 83.21  ? 20  THR A O     1 
ATOM   148  C CB    . THR A 1 22  ? 32.138  50.588 22.103 1.00 71.28  ? 20  THR A CB    1 
ATOM   149  O OG1   . THR A 1 22  ? 31.648  51.659 21.287 1.00 71.92  ? 20  THR A OG1   1 
ATOM   150  C CG2   . THR A 1 22  ? 31.098  49.481 22.191 1.00 61.27  ? 20  THR A CG2   1 
ATOM   151  N N     . GLU A 1 23  ? 34.450  52.225 22.489 1.00 105.11 ? 21  GLU A N     1 
ATOM   152  C CA    . GLU A 1 23  ? 35.370  53.327 22.285 1.00 107.75 ? 21  GLU A CA    1 
ATOM   153  C C     . GLU A 1 23  ? 34.659  54.512 21.661 1.00 107.83 ? 21  GLU A C     1 
ATOM   154  O O     . GLU A 1 23  ? 35.002  55.660 21.961 1.00 109.67 ? 21  GLU A O     1 
ATOM   155  C CB    . GLU A 1 23  ? 36.522  52.835 21.399 1.00 109.42 ? 21  GLU A CB    1 
ATOM   156  C CG    . GLU A 1 23  ? 37.180  53.847 20.434 1.00 111.80 ? 21  GLU A CG    1 
ATOM   157  C CD    . GLU A 1 23  ? 37.498  55.227 21.026 1.00 113.81 ? 21  GLU A CD    1 
ATOM   158  O OE1   . GLU A 1 23  ? 37.879  55.321 22.238 1.00 114.50 ? 21  GLU A OE1   1 
ATOM   159  O OE2   . GLU A 1 23  ? 37.368  56.223 20.253 1.00 114.91 ? 21  GLU A OE2   1 
ATOM   160  N N     . TYR A 1 24  ? 33.579  54.264 20.928 1.00 88.02  ? 22  TYR A N     1 
ATOM   161  C CA    . TYR A 1 24  ? 32.897  55.323 20.216 1.00 86.14  ? 22  TYR A CA    1 
ATOM   162  C C     . TYR A 1 24  ? 31.696  55.876 20.974 1.00 77.72  ? 22  TYR A C     1 
ATOM   163  O O     . TYR A 1 24  ? 31.115  56.868 20.525 1.00 77.46  ? 22  TYR A O     1 
ATOM   164  C CB    . TYR A 1 24  ? 32.448  54.816 18.839 1.00 79.97  ? 22  TYR A CB    1 
ATOM   165  C CG    . TYR A 1 24  ? 33.593  54.452 17.920 1.00 80.45  ? 22  TYR A CG    1 
ATOM   166  C CD1   . TYR A 1 24  ? 34.264  55.430 17.185 1.00 80.54  ? 22  TYR A CD1   1 
ATOM   167  C CD2   . TYR A 1 24  ? 34.011  53.133 17.795 1.00 76.83  ? 22  TYR A CD2   1 
ATOM   168  C CE1   . TYR A 1 24  ? 35.317  55.108 16.348 1.00 77.86  ? 22  TYR A CE1   1 
ATOM   169  C CE2   . TYR A 1 24  ? 35.064  52.799 16.962 1.00 75.62  ? 22  TYR A CE2   1 
ATOM   170  C CZ    . TYR A 1 24  ? 35.715  53.795 16.238 1.00 77.21  ? 22  TYR A CZ    1 
ATOM   171  O OH    . TYR A 1 24  ? 36.772  53.495 15.394 1.00 82.69  ? 22  TYR A OH    1 
ATOM   172  N N     . GLY A 1 25  ? 31.330  55.318 22.122 1.00 77.49  ? 23  GLY A N     1 
ATOM   173  C CA    . GLY A 1 25  ? 30.284  56.002 22.842 1.00 73.45  ? 23  GLY A CA    1 
ATOM   174  C C     . GLY A 1 25  ? 29.316  55.030 23.472 1.00 69.03  ? 23  GLY A C     1 
ATOM   175  O O     . GLY A 1 25  ? 29.671  53.890 23.771 1.00 67.73  ? 23  GLY A O     1 
ATOM   176  N N     . GLU A 1 26  ? 28.087  55.524 23.658 1.00 61.72  ? 24  GLU A N     1 
ATOM   177  C CA    . GLU A 1 26  ? 27.006  54.833 24.351 1.00 59.49  ? 24  GLU A CA    1 
ATOM   178  C C     . GLU A 1 26  ? 25.943  54.386 23.354 1.00 57.90  ? 24  GLU A C     1 
ATOM   179  O O     . GLU A 1 26  ? 25.468  55.194 22.546 1.00 58.37  ? 24  GLU A O     1 
ATOM   180  C CB    . GLU A 1 26  ? 26.370  55.764 25.382 1.00 59.92  ? 24  GLU A CB    1 
ATOM   181  C CG    . GLU A 1 26  ? 26.150  55.141 26.748 1.00 64.43  ? 24  GLU A CG    1 
ATOM   182  C CD    . GLU A 1 26  ? 25.520  56.102 27.776 1.00 64.24  ? 24  GLU A CD    1 
ATOM   183  O OE1   . GLU A 1 26  ? 25.827  57.321 27.736 1.00 65.29  ? 24  GLU A OE1   1 
ATOM   184  O OE2   . GLU A 1 26  ? 24.711  55.628 28.617 1.00 61.96  ? 24  GLU A OE2   1 
ATOM   185  N N     . PHE A 1 27  ? 25.559  53.109 23.416 1.00 56.36  ? 25  PHE A N     1 
ATOM   186  C CA    . PHE A 1 27  ? 24.585  52.557 22.483 1.00 51.61  ? 25  PHE A CA    1 
ATOM   187  C C     . PHE A 1 27  ? 23.577  51.683 23.212 1.00 51.32  ? 25  PHE A C     1 
ATOM   188  O O     . PHE A 1 27  ? 23.944  50.805 23.997 1.00 49.55  ? 25  PHE A O     1 
ATOM   189  C CB    . PHE A 1 27  ? 25.271  51.742 21.389 1.00 50.93  ? 25  PHE A CB    1 
ATOM   190  C CG    . PHE A 1 27  ? 26.264  52.527 20.608 1.00 57.15  ? 25  PHE A CG    1 
ATOM   191  C CD1   . PHE A 1 27  ? 25.948  53.791 20.147 1.00 56.99  ? 25  PHE A CD1   1 
ATOM   192  C CD2   . PHE A 1 27  ? 27.511  52.012 20.332 1.00 56.33  ? 25  PHE A CD2   1 
ATOM   193  C CE1   . PHE A 1 27  ? 26.859  54.531 19.444 1.00 57.06  ? 25  PHE A CE1   1 
ATOM   194  C CE2   . PHE A 1 27  ? 28.419  52.749 19.627 1.00 59.99  ? 25  PHE A CE2   1 
ATOM   195  C CZ    . PHE A 1 27  ? 28.094  54.008 19.179 1.00 62.03  ? 25  PHE A CZ    1 
ATOM   196  N N     . THR A 1 28  ? 22.305  51.904 22.929 1.00 48.36  ? 26  THR A N     1 
ATOM   197  C CA    . THR A 1 28  ? 21.327  50.896 23.264 1.00 44.74  ? 26  THR A CA    1 
ATOM   198  C C     . THR A 1 28  ? 21.727  49.598 22.587 1.00 43.69  ? 26  THR A C     1 
ATOM   199  O O     . THR A 1 28  ? 22.127  49.599 21.427 1.00 51.91  ? 26  THR A O     1 
ATOM   200  C CB    . THR A 1 28  ? 19.967  51.354 22.786 1.00 45.15  ? 26  THR A CB    1 
ATOM   201  O OG1   . THR A 1 28  ? 19.854  52.772 22.990 1.00 45.24  ? 26  THR A OG1   1 
ATOM   202  C CG2   . THR A 1 28  ? 18.912  50.625 23.526 1.00 45.76  ? 26  THR A CG2   1 
ATOM   203  N N     . MET A 1 29  ? 21.650  48.496 23.295 1.00 41.32  ? 27  MET A N     1 
ATOM   204  C CA    . MET A 1 29  ? 21.940  47.201 22.700 1.00 41.46  ? 27  MET A CA    1 
ATOM   205  C C     . MET A 1 29  ? 20.765  46.272 22.955 1.00 44.46  ? 27  MET A C     1 
ATOM   206  O O     . MET A 1 29  ? 20.115  46.355 24.017 1.00 43.87  ? 27  MET A O     1 
ATOM   207  C CB    . MET A 1 29  ? 23.235  46.646 23.260 1.00 42.29  ? 27  MET A CB    1 
ATOM   208  C CG    . MET A 1 29  ? 23.656  45.234 22.812 1.00 45.80  ? 27  MET A CG    1 
ATOM   209  S SD    . MET A 1 29  ? 25.014  44.642 23.880 1.00 47.68  ? 27  MET A SD    1 
ATOM   210  C CE    . MET A 1 29  ? 25.239  42.918 23.474 1.00 41.11  ? 27  MET A CE    1 
ATOM   211  N N     . LEU A 1 30  ? 20.470  45.396 21.985 1.00 41.79  ? 28  LEU A N     1 
ATOM   212  C CA    . LEU A 1 30  ? 19.328  44.496 22.152 1.00 39.87  ? 28  LEU A CA    1 
ATOM   213  C C     . LEU A 1 30  ? 19.808  43.051 22.146 1.00 38.49  ? 28  LEU A C     1 
ATOM   214  O O     . LEU A 1 30  ? 20.659  42.681 21.350 1.00 43.17  ? 28  LEU A O     1 
ATOM   215  C CB    . LEU A 1 30  ? 18.269  44.728 21.061 1.00 39.55  ? 28  LEU A CB    1 
ATOM   216  C CG    . LEU A 1 30  ? 16.968  43.926 21.118 1.00 41.32  ? 28  LEU A CG    1 
ATOM   217  C CD1   . LEU A 1 30  ? 15.888  44.725 21.779 1.00 41.23  ? 28  LEU A CD1   1 
ATOM   218  C CD2   . LEU A 1 30  ? 16.529  43.532 19.736 1.00 41.70  ? 28  LEU A CD2   1 
ATOM   219  N N     . GLY A 1 31  ? 19.305  42.221 23.049 1.00 37.12  ? 29  GLY A N     1 
ATOM   220  C CA    . GLY A 1 31  ? 19.707  40.825 23.080 1.00 40.91  ? 29  GLY A CA    1 
ATOM   221  C C     . GLY A 1 31  ? 18.631  39.968 22.470 1.00 43.03  ? 29  GLY A C     1 
ATOM   222  O O     . GLY A 1 31  ? 17.447  40.119 22.791 1.00 48.55  ? 29  GLY A O     1 
ATOM   223  N N     . ILE A 1 32  ? 19.026  39.062 21.576 1.00 42.36  ? 30  ILE A N     1 
ATOM   224  C CA    . ILE A 1 32  ? 18.051  38.327 20.783 1.00 46.79  ? 30  ILE A CA    1 
ATOM   225  C C     . ILE A 1 32  ? 17.721  36.979 21.395 1.00 46.48  ? 30  ILE A C     1 
ATOM   226  O O     . ILE A 1 32  ? 16.559  36.679 21.668 1.00 47.71  ? 30  ILE A O     1 
ATOM   227  C CB    . ILE A 1 32  ? 18.530  38.152 19.325 1.00 49.05  ? 30  ILE A CB    1 
ATOM   228  C CG1   . ILE A 1 32  ? 18.800  39.507 18.655 1.00 47.42  ? 30  ILE A CG1   1 
ATOM   229  C CG2   . ILE A 1 32  ? 17.480  37.360 18.542 1.00 48.40  ? 30  ILE A CG2   1 
ATOM   230  C CD1   . ILE A 1 32  ? 17.541  40.285 18.270 1.00 44.75  ? 30  ILE A CD1   1 
ATOM   231  N N     . TYR A 1 33  ? 18.732  36.163 21.650 1.00 48.11  ? 31  TYR A N     1 
ATOM   232  C CA    . TYR A 1 33  ? 18.474  34.814 22.132 1.00 49.43  ? 31  TYR A CA    1 
ATOM   233  C C     . TYR A 1 33  ? 19.775  34.244 22.665 1.00 50.97  ? 31  TYR A C     1 
ATOM   234  O O     . TYR A 1 33  ? 20.861  34.711 22.303 1.00 51.56  ? 31  TYR A O     1 
ATOM   235  C CB    . TYR A 1 33  ? 17.927  33.921 21.011 1.00 50.36  ? 31  TYR A CB    1 
ATOM   236  C CG    . TYR A 1 33  ? 19.017  33.214 20.255 1.00 49.20  ? 31  TYR A CG    1 
ATOM   237  C CD1   . TYR A 1 33  ? 19.808  33.904 19.351 1.00 49.39  ? 31  TYR A CD1   1 
ATOM   238  C CD2   . TYR A 1 33  ? 19.278  31.862 20.465 1.00 50.25  ? 31  TYR A CD2   1 
ATOM   239  C CE1   . TYR A 1 33  ? 20.825  33.268 18.657 1.00 50.90  ? 31  TYR A CE1   1 
ATOM   240  C CE2   . TYR A 1 33  ? 20.284  31.209 19.771 1.00 50.04  ? 31  TYR A CE2   1 
ATOM   241  C CZ    . TYR A 1 33  ? 21.061  31.918 18.868 1.00 53.29  ? 31  TYR A CZ    1 
ATOM   242  O OH    . TYR A 1 33  ? 22.079  31.286 18.169 1.00 58.41  ? 31  TYR A OH    1 
ATOM   243  N N     . ASP A 1 34  ? 19.655  33.187 23.478 1.00 52.73  ? 32  ASP A N     1 
ATOM   244  C CA    . ASP A 1 34  ? 20.800  32.595 24.174 1.00 52.60  ? 32  ASP A CA    1 
ATOM   245  C C     . ASP A 1 34  ? 21.753  33.658 24.694 1.00 51.24  ? 32  ASP A C     1 
ATOM   246  O O     . ASP A 1 34  ? 21.349  34.525 25.472 1.00 52.00  ? 32  ASP A O     1 
ATOM   247  C CB    . ASP A 1 34  ? 21.555  31.642 23.253 1.00 53.77  ? 32  ASP A CB    1 
ATOM   248  C CG    . ASP A 1 34  ? 22.455  30.704 24.007 1.00 54.17  ? 32  ASP A CG    1 
ATOM   249  O OD1   . ASP A 1 34  ? 21.894  29.813 24.672 1.00 52.36  ? 32  ASP A OD1   1 
ATOM   250  O OD2   . ASP A 1 34  ? 23.704  30.855 23.926 1.00 56.34  ? 32  ASP A OD2   1 
ATOM   251  N N     . ARG A 1 35  ? 23.009  33.625 24.256 1.00 55.32  ? 33  ARG A N     1 
ATOM   252  C CA    . ARG A 1 35  ? 23.978  34.625 24.674 1.00 54.96  ? 33  ARG A CA    1 
ATOM   253  C C     . ARG A 1 35  ? 24.332  35.569 23.534 1.00 54.06  ? 33  ARG A C     1 
ATOM   254  O O     . ARG A 1 35  ? 25.423  36.141 23.525 1.00 54.17  ? 33  ARG A O     1 
ATOM   255  C CB    . ARG A 1 35  ? 25.231  33.959 25.258 1.00 56.30  ? 33  ARG A CB    1 
ATOM   256  C CG    . ARG A 1 35  ? 24.940  32.994 26.437 1.00 57.56  ? 33  ARG A CG    1 
ATOM   257  C CD    . ARG A 1 35  ? 26.088  32.029 26.664 1.00 59.24  ? 33  ARG A CD    1 
ATOM   258  N NE    . ARG A 1 35  ? 26.082  30.957 25.671 1.00 63.17  ? 33  ARG A NE    1 
ATOM   259  C CZ    . ARG A 1 35  ? 27.076  30.091 25.475 1.00 66.77  ? 33  ARG A CZ    1 
ATOM   260  N NH1   . ARG A 1 35  ? 28.180  30.115 26.218 1.00 62.84  ? 33  ARG A NH1   1 
ATOM   261  N NH2   . ARG A 1 35  ? 26.973  29.196 24.487 1.00 64.77  ? 33  ARG A NH2   1 
ATOM   262  N N     . TRP A 1 36  ? 23.404  35.772 22.598 1.00 49.28  ? 34  TRP A N     1 
ATOM   263  C CA    . TRP A 1 36  ? 23.640  36.485 21.340 1.00 47.22  ? 34  TRP A CA    1 
ATOM   264  C C     . TRP A 1 36  ? 22.883  37.808 21.305 1.00 45.74  ? 34  TRP A C     1 
ATOM   265  O O     . TRP A 1 36  ? 21.685  37.847 21.624 1.00 48.22  ? 34  TRP A O     1 
ATOM   266  C CB    . TRP A 1 36  ? 23.191  35.629 20.153 1.00 48.31  ? 34  TRP A CB    1 
ATOM   267  C CG    . TRP A 1 36  ? 24.214  34.676 19.686 1.00 48.97  ? 34  TRP A CG    1 
ATOM   268  C CD1   . TRP A 1 36  ? 24.258  33.329 19.921 1.00 49.76  ? 34  TRP A CD1   1 
ATOM   269  C CD2   . TRP A 1 36  ? 25.352  34.985 18.876 1.00 47.21  ? 34  TRP A CD2   1 
ATOM   270  N NE1   . TRP A 1 36  ? 25.366  32.784 19.308 1.00 49.59  ? 34  TRP A NE1   1 
ATOM   271  C CE2   . TRP A 1 36  ? 26.050  33.781 18.661 1.00 47.19  ? 34  TRP A CE2   1 
ATOM   272  C CE3   . TRP A 1 36  ? 25.844  36.164 18.311 1.00 45.61  ? 34  TRP A CE3   1 
ATOM   273  C CZ2   . TRP A 1 36  ? 27.214  33.724 17.914 1.00 47.43  ? 34  TRP A CZ2   1 
ATOM   274  C CZ3   . TRP A 1 36  ? 26.995  36.111 17.579 1.00 45.99  ? 34  TRP A CZ3   1 
ATOM   275  C CH2   . TRP A 1 36  ? 27.676  34.899 17.383 1.00 47.56  ? 34  TRP A CH2   1 
ATOM   276  N N     . ALA A 1 37  ? 23.555  38.884 20.884 1.00 43.10  ? 35  ALA A N     1 
ATOM   277  C CA    . ALA A 1 37  ? 22.889  40.183 20.862 1.00 43.73  ? 35  ALA A CA    1 
ATOM   278  C C     . ALA A 1 37  ? 23.361  41.024 19.680 1.00 41.28  ? 35  ALA A C     1 
ATOM   279  O O     . ALA A 1 37  ? 24.229  40.611 18.916 1.00 41.93  ? 35  ALA A O     1 
ATOM   280  C CB    . ALA A 1 37  ? 23.097  40.908 22.184 1.00 44.03  ? 35  ALA A CB    1 
ATOM   281  N N     . VAL A 1 38  ? 22.734  42.195 19.503 1.00 41.88  ? 36  VAL A N     1 
ATOM   282  C CA    . VAL A 1 38  ? 22.926  43.016 18.311 1.00 44.92  ? 36  VAL A CA    1 
ATOM   283  C C     . VAL A 1 38  ? 23.185  44.473 18.681 1.00 43.97  ? 36  VAL A C     1 
ATOM   284  O O     . VAL A 1 38  ? 22.448  45.066 19.491 1.00 43.68  ? 36  VAL A O     1 
ATOM   285  C CB    . VAL A 1 38  ? 21.720  42.953 17.352 1.00 45.16  ? 36  VAL A CB    1 
ATOM   286  C CG1   . VAL A 1 38  ? 22.123  43.543 15.977 1.00 42.67  ? 36  VAL A CG1   1 
ATOM   287  C CG2   . VAL A 1 38  ? 21.195  41.535 17.234 1.00 44.66  ? 36  VAL A CG2   1 
ATOM   288  N N     . LEU A 1 39  ? 24.153  45.056 17.971 1.00 45.57  ? 37  LEU A N     1 
ATOM   289  C CA    . LEU A 1 39  ? 24.660  46.417 18.076 1.00 48.50  ? 37  LEU A CA    1 
ATOM   290  C C     . LEU A 1 39  ? 24.850  47.017 16.681 1.00 48.31  ? 37  LEU A C     1 
ATOM   291  O O     . LEU A 1 39  ? 25.048  46.286 15.705 1.00 45.17  ? 37  LEU A O     1 
ATOM   292  C CB    . LEU A 1 39  ? 26.016  46.425 18.789 1.00 48.91  ? 37  LEU A CB    1 
ATOM   293  C CG    . LEU A 1 39  ? 26.189  46.955 20.192 1.00 47.59  ? 37  LEU A CG    1 
ATOM   294  C CD1   . LEU A 1 39  ? 27.662  46.775 20.536 1.00 46.99  ? 37  LEU A CD1   1 
ATOM   295  C CD2   . LEU A 1 39  ? 25.782  48.410 20.279 1.00 47.93  ? 37  LEU A CD2   1 
ATOM   296  N N     . PRO A 1 40  ? 24.817  48.348 16.564 1.00 47.29  ? 38  PRO A N     1 
ATOM   297  C CA    . PRO A 1 40  ? 25.228  48.987 15.314 1.00 50.16  ? 38  PRO A CA    1 
ATOM   298  C C     . PRO A 1 40  ? 26.600  48.515 14.851 1.00 55.82  ? 38  PRO A C     1 
ATOM   299  O O     . PRO A 1 40  ? 27.485  48.251 15.665 1.00 54.59  ? 38  PRO A O     1 
ATOM   300  C CB    . PRO A 1 40  ? 25.243  50.474 15.680 1.00 49.70  ? 38  PRO A CB    1 
ATOM   301  C CG    . PRO A 1 40  ? 24.179  50.604 16.622 1.00 46.51  ? 38  PRO A CG    1 
ATOM   302  C CD    . PRO A 1 40  ? 24.187  49.334 17.458 1.00 51.10  ? 38  PRO A CD    1 
ATOM   303  N N     . ARG A 1 41  ? 26.753  48.340 13.526 1.00 56.17  ? 39  ARG A N     1 
ATOM   304  C CA    . ARG A 1 41  ? 28.080  48.049 12.995 1.00 55.63  ? 39  ARG A CA    1 
ATOM   305  C C     . ARG A 1 41  ? 29.053  49.116 13.439 1.00 57.44  ? 39  ARG A C     1 
ATOM   306  O O     . ARG A 1 41  ? 30.210  48.813 13.736 1.00 57.03  ? 39  ARG A O     1 
ATOM   307  C CB    . ARG A 1 41  ? 28.055  47.955 11.461 1.00 58.25  ? 39  ARG A CB    1 
ATOM   308  C CG    . ARG A 1 41  ? 29.131  47.033 10.821 1.00 58.17  ? 39  ARG A CG    1 
ATOM   309  C CD    . ARG A 1 41  ? 29.835  47.705 9.645  1.00 56.52  ? 39  ARG A CD    1 
ATOM   310  N NE    . ARG A 1 41  ? 30.738  48.751 10.112 1.00 61.42  ? 39  ARG A NE    1 
ATOM   311  C CZ    . ARG A 1 41  ? 30.520  50.054 9.966  1.00 64.36  ? 39  ARG A CZ    1 
ATOM   312  N NH1   . ARG A 1 41  ? 29.407  50.506 9.395  1.00 62.91  ? 39  ARG A NH1   1 
ATOM   313  N NH2   . ARG A 1 41  ? 31.418  50.922 10.443 1.00 62.18  ? 39  ARG A NH2   1 
ATOM   314  N N     . HIS A 1 42  ? 28.569  50.355 13.566 1.00 70.45  ? 40  HIS A N     1 
ATOM   315  C CA    . HIS A 1 42  ? 29.395  51.486 13.973 1.00 71.74  ? 40  HIS A CA    1 
ATOM   316  C C     . HIS A 1 42  ? 29.888  51.368 15.413 1.00 71.04  ? 40  HIS A C     1 
ATOM   317  O O     . HIS A 1 42  ? 30.847  52.060 15.777 1.00 72.22  ? 40  HIS A O     1 
ATOM   318  C CB    . HIS A 1 42  ? 28.630  52.805 13.774 1.00 72.41  ? 40  HIS A CB    1 
ATOM   319  C CG    . HIS A 1 42  ? 29.437  54.047 14.069 1.00 80.50  ? 40  HIS A CG    1 
ATOM   320  N ND1   . HIS A 1 42  ? 30.477  54.082 14.979 1.00 78.60  ? 40  HIS A ND1   1 
ATOM   321  C CD2   . HIS A 1 42  ? 29.375  55.291 13.533 1.00 84.58  ? 40  HIS A CD2   1 
ATOM   322  C CE1   . HIS A 1 42  ? 30.998  55.296 15.013 1.00 81.27  ? 40  HIS A CE1   1 
ATOM   323  N NE2   . HIS A 1 42  ? 30.346  56.049 14.146 1.00 86.21  ? 40  HIS A NE2   1 
ATOM   324  N N     . ALA A 1 43  ? 29.250  50.552 16.255 1.00 64.49  ? 41  ALA A N     1 
ATOM   325  C CA    . ALA A 1 43  ? 29.721  50.439 17.636 1.00 61.95  ? 41  ALA A CA    1 
ATOM   326  C C     . ALA A 1 43  ? 31.179  50.012 17.691 1.00 60.08  ? 41  ALA A C     1 
ATOM   327  O O     . ALA A 1 43  ? 31.938  50.500 18.530 1.00 63.20  ? 41  ALA A O     1 
ATOM   328  C CB    . ALA A 1 43  ? 28.855  49.454 18.422 1.00 59.52  ? 41  ALA A CB    1 
ATOM   329  N N     . LYS A 1 44  ? 31.598  49.163 16.755 1.00 61.53  ? 42  LYS A N     1 
ATOM   330  C CA    . LYS A 1 44  ? 32.919  48.552 16.738 1.00 60.15  ? 42  LYS A CA    1 
ATOM   331  C C     . LYS A 1 44  ? 33.269  47.982 18.130 1.00 59.19  ? 42  LYS A C     1 
ATOM   332  O O     . LYS A 1 44  ? 34.261  48.339 18.711 1.00 58.78  ? 42  LYS A O     1 
ATOM   333  C CB    . LYS A 1 44  ? 33.984  49.562 16.310 1.00 59.68  ? 42  LYS A CB    1 
ATOM   334  C CG    . LYS A 1 44  ? 33.939  49.998 14.848 1.00 60.16  ? 42  LYS A CG    1 
ATOM   335  C CD    . LYS A 1 44  ? 34.285  48.861 13.903 1.00 60.54  ? 42  LYS A CD    1 
ATOM   336  C CE    . LYS A 1 44  ? 33.993  49.266 12.467 1.00 63.00  ? 42  LYS A CE    1 
ATOM   337  N NZ    . LYS A 1 44  ? 34.346  48.230 11.453 1.00 65.74  ? 42  LYS A NZ    1 
ATOM   338  N N     . PRO A 1 45  ? 32.433  47.036 18.631 1.00 58.09  ? 43  PRO A N     1 
ATOM   339  C CA    . PRO A 1 45  ? 32.666  46.495 19.982 1.00 56.25  ? 43  PRO A CA    1 
ATOM   340  C C     . PRO A 1 45  ? 34.053  45.869 20.155 1.00 55.71  ? 43  PRO A C     1 
ATOM   341  O O     . PRO A 1 45  ? 34.493  45.060 19.333 1.00 54.49  ? 43  PRO A O     1 
ATOM   342  C CB    . PRO A 1 45  ? 31.563  45.436 20.121 1.00 51.14  ? 43  PRO A CB    1 
ATOM   343  C CG    . PRO A 1 45  ? 31.074  45.180 18.745 1.00 47.01  ? 43  PRO A CG    1 
ATOM   344  C CD    . PRO A 1 45  ? 31.203  46.482 18.048 1.00 52.35  ? 43  PRO A CD    1 
ATOM   345  N N     . GLY A 1 46  ? 34.715  46.197 21.280 1.00 51.20  ? 44  GLY A N     1 
ATOM   346  C CA    . GLY A 1 46  ? 36.033  45.666 21.548 1.00 50.44  ? 44  GLY A CA    1 
ATOM   347  C C     . GLY A 1 46  ? 36.006  44.218 22.005 1.00 50.68  ? 44  GLY A C     1 
ATOM   348  O O     . GLY A 1 46  ? 34.980  43.540 21.891 1.00 52.01  ? 44  GLY A O     1 
ATOM   349  N N     . PRO A 1 47  ? 37.142  43.700 22.498 1.00 51.43  ? 45  PRO A N     1 
ATOM   350  C CA    . PRO A 1 47  ? 37.130  42.355 23.103 1.00 51.45  ? 45  PRO A CA    1 
ATOM   351  C C     . PRO A 1 47  ? 36.442  42.340 24.462 1.00 50.50  ? 45  PRO A C     1 
ATOM   352  O O     . PRO A 1 47  ? 36.004  41.278 24.924 1.00 50.88  ? 45  PRO A O     1 
ATOM   353  C CB    . PRO A 1 47  ? 38.619  41.995 23.221 1.00 53.40  ? 45  PRO A CB    1 
ATOM   354  C CG    . PRO A 1 47  ? 39.391  43.160 22.588 1.00 54.39  ? 45  PRO A CG    1 
ATOM   355  C CD    . PRO A 1 47  ? 38.473  44.331 22.581 1.00 53.10  ? 45  PRO A CD    1 
ATOM   356  N N     . THR A 1 48  ? 36.354  43.488 25.123 1.00 50.17  ? 46  THR A N     1 
ATOM   357  C CA    . THR A 1 48  ? 35.506  43.666 26.283 1.00 49.29  ? 46  THR A CA    1 
ATOM   358  C C     . THR A 1 48  ? 34.529  44.774 25.935 1.00 50.05  ? 46  THR A C     1 
ATOM   359  O O     . THR A 1 48  ? 34.841  45.645 25.109 1.00 50.48  ? 46  THR A O     1 
ATOM   360  C CB    . THR A 1 48  ? 36.311  44.059 27.562 1.00 50.79  ? 46  THR A CB    1 
ATOM   361  O OG1   . THR A 1 48  ? 36.882  42.894 28.176 1.00 53.73  ? 46  THR A OG1   1 
ATOM   362  C CG2   . THR A 1 48  ? 35.440  44.775 28.602 1.00 49.12  ? 46  THR A CG2   1 
ATOM   363  N N     . ILE A 1 49  ? 33.325  44.702 26.520 1.00 49.52  ? 47  ILE A N     1 
ATOM   364  C CA    . ILE A 1 49  ? 32.400  45.825 26.511 1.00 47.72  ? 47  ILE A CA    1 
ATOM   365  C C     . ILE A 1 49  ? 31.863  46.040 27.926 1.00 50.63  ? 47  ILE A C     1 
ATOM   366  O O     . ILE A 1 49  ? 31.614  45.082 28.671 1.00 48.34  ? 47  ILE A O     1 
ATOM   367  C CB    . ILE A 1 49  ? 31.258  45.612 25.499 1.00 46.00  ? 47  ILE A CB    1 
ATOM   368  C CG1   . ILE A 1 49  ? 30.669  44.202 25.602 1.00 47.12  ? 47  ILE A CG1   1 
ATOM   369  C CG2   . ILE A 1 49  ? 31.776  45.794 24.108 1.00 47.96  ? 47  ILE A CG2   1 
ATOM   370  C CD1   . ILE A 1 49  ? 29.141  44.128 25.343 1.00 43.41  ? 47  ILE A CD1   1 
ATOM   371  N N     . LEU A 1 50  ? 31.712  47.309 28.302 1.00 50.59  ? 48  LEU A N     1 
ATOM   372  C CA    . LEU A 1 50  ? 30.962  47.687 29.489 1.00 46.91  ? 48  LEU A CA    1 
ATOM   373  C C     . LEU A 1 50  ? 29.491  47.587 29.142 1.00 47.35  ? 48  LEU A C     1 
ATOM   374  O O     . LEU A 1 50  ? 28.978  48.412 28.381 1.00 48.92  ? 48  LEU A O     1 
ATOM   375  C CB    . LEU A 1 50  ? 31.288  49.112 29.904 1.00 48.44  ? 48  LEU A CB    1 
ATOM   376  C CG    . LEU A 1 50  ? 32.746  49.507 29.914 1.00 50.68  ? 48  LEU A CG    1 
ATOM   377  C CD1   . LEU A 1 50  ? 32.853  51.026 29.775 1.00 52.07  ? 48  LEU A CD1   1 
ATOM   378  C CD2   . LEU A 1 50  ? 33.368  49.011 31.219 1.00 47.66  ? 48  LEU A CD2   1 
ATOM   379  N N     . MET A 1 51  ? 28.817  46.569 29.668 1.00 47.44  ? 49  MET A N     1 
ATOM   380  C CA    . MET A 1 51  ? 27.376  46.411 29.535 1.00 46.60  ? 49  MET A CA    1 
ATOM   381  C C     . MET A 1 51  ? 26.752  46.697 30.892 1.00 45.78  ? 49  MET A C     1 
ATOM   382  O O     . MET A 1 51  ? 27.020  45.988 31.866 1.00 47.84  ? 49  MET A O     1 
ATOM   383  C CB    . MET A 1 51  ? 27.045  45.017 29.004 1.00 42.59  ? 49  MET A CB    1 
ATOM   384  C CG    . MET A 1 51  ? 25.687  44.470 29.325 1.00 42.41  ? 49  MET A CG    1 
ATOM   385  S SD    . MET A 1 51  ? 25.634  42.674 29.021 1.00 48.96  ? 49  MET A SD    1 
ATOM   386  C CE    . MET A 1 51  ? 23.927  42.418 28.504 1.00 41.58  ? 49  MET A CE    1 
ATOM   387  N N     . ASN A 1 52  ? 25.957  47.760 30.965 1.00 46.25  ? 50  ASN A N     1 
ATOM   388  C CA    . ASN A 1 52  ? 25.393  48.205 32.233 1.00 46.74  ? 50  ASN A CA    1 
ATOM   389  C C     . ASN A 1 52  ? 26.513  48.506 33.220 1.00 48.29  ? 50  ASN A C     1 
ATOM   390  O O     . ASN A 1 52  ? 26.469  48.104 34.384 1.00 48.59  ? 50  ASN A O     1 
ATOM   391  C CB    . ASN A 1 52  ? 24.410  47.174 32.796 1.00 44.04  ? 50  ASN A CB    1 
ATOM   392  C CG    . ASN A 1 52  ? 23.129  47.119 32.001 1.00 46.13  ? 50  ASN A CG    1 
ATOM   393  O OD1   . ASN A 1 52  ? 22.867  47.999 31.171 1.00 47.02  ? 50  ASN A OD1   1 
ATOM   394  N ND2   . ASN A 1 52  ? 22.307  46.095 32.252 1.00 45.61  ? 50  ASN A ND2   1 
ATOM   395  N N     . ASP A 1 53  ? 27.567  49.151 32.721 1.00 48.76  ? 51  ASP A N     1 
ATOM   396  C CA    . ASP A 1 53  ? 28.778  49.549 33.455 1.00 48.43  ? 51  ASP A CA    1 
ATOM   397  C C     . ASP A 1 53  ? 29.600  48.362 33.927 1.00 45.55  ? 51  ASP A C     1 
ATOM   398  O O     . ASP A 1 53  ? 30.616  48.563 34.592 1.00 46.47  ? 51  ASP A O     1 
ATOM   399  C CB    . ASP A 1 53  ? 28.486  50.470 34.648 1.00 49.47  ? 51  ASP A CB    1 
ATOM   400  C CG    . ASP A 1 53  ? 27.466  51.562 34.310 1.00 56.14  ? 51  ASP A CG    1 
ATOM   401  O OD1   . ASP A 1 53  ? 27.903  52.728 34.160 1.00 55.43  ? 51  ASP A OD1   1 
ATOM   402  O OD2   . ASP A 1 53  ? 26.239  51.272 34.197 1.00 57.92  ? 51  ASP A OD2   1 
ATOM   403  N N     . GLN A 1 54  ? 29.218  47.141 33.565 1.00 50.18  ? 52  GLN A N     1 
ATOM   404  C CA    . GLN A 1 54  ? 29.904  45.923 33.964 1.00 50.00  ? 52  GLN A CA    1 
ATOM   405  C C     . GLN A 1 54  ? 30.729  45.310 32.832 1.00 48.82  ? 52  GLN A C     1 
ATOM   406  O O     . GLN A 1 54  ? 30.220  45.080 31.732 1.00 47.79  ? 52  GLN A O     1 
ATOM   407  C CB    . GLN A 1 54  ? 28.884  44.908 34.465 1.00 49.95  ? 52  GLN A CB    1 
ATOM   408  C CG    . GLN A 1 54  ? 29.546  43.716 35.038 1.00 50.04  ? 52  GLN A CG    1 
ATOM   409  C CD    . GLN A 1 54  ? 29.071  43.442 36.413 1.00 55.00  ? 52  GLN A CD    1 
ATOM   410  O OE1   . GLN A 1 54  ? 28.462  44.311 37.068 1.00 52.21  ? 52  GLN A OE1   1 
ATOM   411  N NE2   . GLN A 1 54  ? 29.365  42.239 36.895 1.00 58.69  ? 52  GLN A NE2   1 
ATOM   412  N N     . GLU A 1 55  ? 32.003  45.040 33.103 1.00 49.12  ? 53  GLU A N     1 
ATOM   413  C CA    . GLU A 1 55  ? 32.867  44.408 32.110 1.00 48.17  ? 53  GLU A CA    1 
ATOM   414  C C     . GLU A 1 55  ? 32.342  43.028 31.735 1.00 49.15  ? 53  GLU A C     1 
ATOM   415  O O     . GLU A 1 55  ? 32.175  42.164 32.600 1.00 47.70  ? 53  GLU A O     1 
ATOM   416  C CB    . GLU A 1 55  ? 34.284  44.271 32.657 1.00 48.91  ? 53  GLU A CB    1 
ATOM   417  C CG    . GLU A 1 55  ? 35.102  45.533 32.657 1.00 49.65  ? 53  GLU A CG    1 
ATOM   418  C CD    . GLU A 1 55  ? 36.451  45.338 33.342 1.00 51.92  ? 53  GLU A CD    1 
ATOM   419  O OE1   . GLU A 1 55  ? 36.938  44.177 33.423 1.00 50.61  ? 53  GLU A OE1   1 
ATOM   420  O OE2   . GLU A 1 55  ? 37.065  46.355 33.734 1.00 55.21  ? 53  GLU A OE2   1 
ATOM   421  N N     . VAL A 1 56  ? 32.123  42.805 30.438 1.00 52.97  ? 54  VAL A N     1 
ATOM   422  C CA    . VAL A 1 56  ? 31.719  41.503 29.917 1.00 51.67  ? 54  VAL A CA    1 
ATOM   423  C C     . VAL A 1 56  ? 32.642  41.185 28.744 1.00 50.41  ? 54  VAL A C     1 
ATOM   424  O O     . VAL A 1 56  ? 33.013  42.081 27.971 1.00 51.39  ? 54  VAL A O     1 
ATOM   425  C CB    . VAL A 1 56  ? 30.229  41.473 29.486 1.00 47.49  ? 54  VAL A CB    1 
ATOM   426  C CG1   . VAL A 1 56  ? 29.686  40.043 29.474 1.00 44.68  ? 54  VAL A CG1   1 
ATOM   427  C CG2   . VAL A 1 56  ? 29.375  42.373 30.369 1.00 45.82  ? 54  VAL A CG2   1 
ATOM   428  N N     . ALA A 1 57  ? 33.026  39.912 28.628 1.00 50.10  ? 55  ALA A N     1 
ATOM   429  C CA    . ALA A 1 57  ? 33.906  39.434 27.565 1.00 47.78  ? 55  ALA A CA    1 
ATOM   430  C C     . ALA A 1 57  ? 33.100  39.033 26.351 1.00 49.39  ? 55  ALA A C     1 
ATOM   431  O O     . ALA A 1 57  ? 32.077  38.357 26.486 1.00 51.01  ? 55  ALA A O     1 
ATOM   432  C CB    . ALA A 1 57  ? 34.713  38.223 28.034 1.00 48.39  ? 55  ALA A CB    1 
ATOM   433  N N     . VAL A 1 58  ? 33.607  39.375 25.164 1.00 50.32  ? 56  VAL A N     1 
ATOM   434  C CA    . VAL A 1 58  ? 32.944  39.063 23.896 1.00 46.95  ? 56  VAL A CA    1 
ATOM   435  C C     . VAL A 1 58  ? 33.550  37.779 23.363 1.00 45.88  ? 56  VAL A C     1 
ATOM   436  O O     . VAL A 1 58  ? 34.764  37.703 23.153 1.00 49.86  ? 56  VAL A O     1 
ATOM   437  C CB    . VAL A 1 58  ? 33.105  40.189 22.864 1.00 45.10  ? 56  VAL A CB    1 
ATOM   438  C CG1   . VAL A 1 58  ? 32.791  39.663 21.463 1.00 42.56  ? 56  VAL A CG1   1 
ATOM   439  C CG2   . VAL A 1 58  ? 32.214  41.380 23.209 1.00 46.35  ? 56  VAL A CG2   1 
ATOM   440  N N     . LEU A 1 59  ? 32.720  36.759 23.180 1.00 45.89  ? 57  LEU A N     1 
ATOM   441  C CA    . LEU A 1 59  ? 33.224  35.495 22.666 1.00 45.73  ? 57  LEU A CA    1 
ATOM   442  C C     . LEU A 1 59  ? 33.289  35.493 21.149 1.00 44.93  ? 57  LEU A C     1 
ATOM   443  O O     . LEU A 1 59  ? 34.132  34.794 20.573 1.00 41.95  ? 57  LEU A O     1 
ATOM   444  C CB    . LEU A 1 59  ? 32.325  34.335 23.113 1.00 47.09  ? 57  LEU A CB    1 
ATOM   445  C CG    . LEU A 1 59  ? 32.313  33.899 24.582 1.00 49.72  ? 57  LEU A CG    1 
ATOM   446  C CD1   . LEU A 1 59  ? 31.316  32.740 24.786 1.00 52.38  ? 57  LEU A CD1   1 
ATOM   447  C CD2   . LEU A 1 59  ? 33.698  33.539 25.095 1.00 49.57  ? 57  LEU A CD2   1 
ATOM   448  N N     . ALA A 1 60  ? 32.431  36.274 20.491 1.00 46.20  ? 58  ALA A N     1 
ATOM   449  C CA    . ALA A 1 60  ? 32.479  36.318 19.024 1.00 44.35  ? 58  ALA A CA    1 
ATOM   450  C C     . ALA A 1 60  ? 31.800  37.591 18.532 1.00 43.62  ? 58  ALA A C     1 
ATOM   451  O O     . ALA A 1 60  ? 30.945  38.153 19.228 1.00 43.10  ? 58  ALA A O     1 
ATOM   452  C CB    . ALA A 1 60  ? 31.836  35.068 18.400 1.00 40.89  ? 58  ALA A CB    1 
ATOM   453  N N     . ALA A 1 61  ? 32.176  38.026 17.313 1.00 41.73  ? 59  ALA A N     1 
ATOM   454  C CA    . ALA A 1 61  ? 31.606  39.244 16.719 1.00 43.12  ? 59  ALA A CA    1 
ATOM   455  C C     . ALA A 1 61  ? 31.630  39.195 15.192 1.00 44.48  ? 59  ALA A C     1 
ATOM   456  O O     . ALA A 1 61  ? 32.706  39.211 14.586 1.00 42.32  ? 59  ALA A O     1 
ATOM   457  C CB    . ALA A 1 61  ? 32.330  40.487 17.211 1.00 41.50  ? 59  ALA A CB    1 
ATOM   458  N N     . LYS A 1 62  ? 30.440  39.103 14.582 1.00 45.59  ? 60  LYS A N     1 
ATOM   459  C CA    . LYS A 1 62  ? 30.251  39.189 13.134 1.00 44.36  ? 60  LYS A CA    1 
ATOM   460  C C     . LYS A 1 62  ? 29.725  40.575 12.748 1.00 46.34  ? 60  LYS A C     1 
ATOM   461  O O     . LYS A 1 62  ? 28.648  40.974 13.210 1.00 46.46  ? 60  LYS A O     1 
ATOM   462  C CB    . LYS A 1 62  ? 29.276  38.110 12.654 1.00 42.79  ? 60  LYS A CB    1 
ATOM   463  C CG    . LYS A 1 62  ? 29.272  36.862 13.510 1.00 42.58  ? 60  LYS A CG    1 
ATOM   464  C CD    . LYS A 1 62  ? 28.417  35.770 12.882 1.00 46.86  ? 60  LYS A CD    1 
ATOM   465  C CE    . LYS A 1 62  ? 28.292  34.557 13.818 1.00 50.60  ? 60  LYS A CE    1 
ATOM   466  N NZ    . LYS A 1 62  ? 26.884  34.008 13.860 1.00 57.54  ? 60  LYS A NZ    1 
ATOM   467  N N     . GLU A 1 63  ? 30.488  41.327 11.937 1.00 44.85  ? 61  GLU A N     1 
ATOM   468  C CA    . GLU A 1 63  ? 29.909  42.503 11.304 1.00 46.40  ? 61  GLU A CA    1 
ATOM   469  C C     . GLU A 1 63  ? 29.121  41.982 10.114 1.00 54.71  ? 61  GLU A C     1 
ATOM   470  O O     . GLU A 1 63  ? 29.694  41.322 9.236  1.00 54.91  ? 61  GLU A O     1 
ATOM   471  C CB    . GLU A 1 63  ? 30.955  43.527 10.876 1.00 48.43  ? 61  GLU A CB    1 
ATOM   472  C CG    . GLU A 1 63  ? 32.243  43.497 11.695 1.00 56.87  ? 61  GLU A CG    1 
ATOM   473  C CD    . GLU A 1 63  ? 33.184  44.700 11.467 1.00 61.00  ? 61  GLU A CD    1 
ATOM   474  O OE1   . GLU A 1 63  ? 32.932  45.524 10.554 1.00 59.66  ? 61  GLU A OE1   1 
ATOM   475  O OE2   . GLU A 1 63  ? 34.162  44.834 12.254 1.00 62.46  ? 61  GLU A OE2   1 
ATOM   476  N N     . LEU A 1 64  ? 27.807  42.242 10.104 1.00 55.82  ? 62  LEU A N     1 
ATOM   477  C CA    . LEU A 1 64  ? 26.886  41.563 9.201  1.00 55.13  ? 62  LEU A CA    1 
ATOM   478  C C     . LEU A 1 64  ? 26.931  42.169 7.807  1.00 55.97  ? 62  LEU A C     1 
ATOM   479  O O     . LEU A 1 64  ? 26.972  43.395 7.664  1.00 54.16  ? 62  LEU A O     1 
ATOM   480  C CB    . LEU A 1 64  ? 25.467  41.633 9.761  1.00 54.26  ? 62  LEU A CB    1 
ATOM   481  C CG    . LEU A 1 64  ? 24.917  40.356 10.393 1.00 54.61  ? 62  LEU A CG    1 
ATOM   482  C CD1   . LEU A 1 64  ? 23.450  40.548 10.876 1.00 48.32  ? 62  LEU A CD1   1 
ATOM   483  C CD2   . LEU A 1 64  ? 25.042  39.192 9.389  1.00 55.76  ? 62  LEU A CD2   1 
ATOM   484  N N     . ALA A 1 65  ? 26.921  41.294 6.784  1.00 59.58  ? 63  ALA A N     1 
ATOM   485  C CA    . ALA A 1 65  ? 26.918  41.688 5.369  1.00 65.17  ? 63  ALA A CA    1 
ATOM   486  C C     . ALA A 1 65  ? 26.164  40.667 4.506  1.00 68.00  ? 63  ALA A C     1 
ATOM   487  O O     . ALA A 1 65  ? 26.184  39.461 4.776  1.00 67.63  ? 63  ALA A O     1 
ATOM   488  C CB    . ALA A 1 65  ? 28.342  41.866 4.818  1.00 62.91  ? 63  ALA A CB    1 
ATOM   489  N N     . ASP A 1 66  ? 25.522  41.165 3.443  1.00 72.47  ? 64  ASP A N     1 
ATOM   490  C CA    . ASP A 1 66  ? 24.717  40.334 2.549  1.00 74.70  ? 64  ASP A CA    1 
ATOM   491  C C     . ASP A 1 66  ? 25.601  39.400 1.713  1.00 77.13  ? 64  ASP A C     1 
ATOM   492  O O     . ASP A 1 66  ? 26.830  39.365 1.841  1.00 77.56  ? 64  ASP A O     1 
ATOM   493  C CB    . ASP A 1 66  ? 23.868  41.199 1.614  1.00 76.58  ? 64  ASP A CB    1 
ATOM   494  C CG    . ASP A 1 66  ? 24.716  42.067 0.686  1.00 78.35  ? 64  ASP A CG    1 
ATOM   495  O OD1   . ASP A 1 66  ? 25.850  42.411 1.092  1.00 77.20  ? 64  ASP A OD1   1 
ATOM   496  O OD2   . ASP A 1 66  ? 24.275  42.380 -0.451 1.00 81.14  ? 64  ASP A OD2   1 
ATOM   497  N N     . LYS A 1 67  ? 24.953  38.646 0.816  1.00 78.40  ? 65  LYS A N     1 
ATOM   498  C CA    . LYS A 1 67  ? 25.666  37.635 0.038  1.00 79.35  ? 65  LYS A CA    1 
ATOM   499  C C     . LYS A 1 67  ? 26.528  38.245 -1.070 1.00 80.45  ? 65  LYS A C     1 
ATOM   500  O O     . LYS A 1 67  ? 27.557  37.665 -1.440 1.00 78.96  ? 65  LYS A O     1 
ATOM   501  C CB    . LYS A 1 67  ? 24.669  36.636 -0.539 1.00 80.29  ? 65  LYS A CB    1 
ATOM   502  C CG    . LYS A 1 67  ? 25.166  35.197 -0.518 1.00 82.20  ? 65  LYS A CG    1 
ATOM   503  C CD    . LYS A 1 67  ? 24.007  34.208 -0.534 1.00 85.00  ? 65  LYS A CD    1 
ATOM   504  C CE    . LYS A 1 67  ? 24.513  32.774 -0.637 1.00 88.21  ? 65  LYS A CE    1 
ATOM   505  N NZ    . LYS A 1 67  ? 23.397  31.809 -0.846 1.00 90.27  ? 65  LYS A NZ    1 
ATOM   506  N N     . ASP A 1 68  ? 26.096  39.364 -1.664 1.00 79.47  ? 66  ASP A N     1 
ATOM   507  C CA    . ASP A 1 68  ? 26.944  40.084 -2.612 1.00 76.17  ? 66  ASP A CA    1 
ATOM   508  C C     . ASP A 1 68  ? 27.979  40.947 -1.895 1.00 77.30  ? 66  ASP A C     1 
ATOM   509  O O     . ASP A 1 68  ? 28.838  41.546 -2.561 1.00 73.95  ? 66  ASP A O     1 
ATOM   510  C CB    . ASP A 1 68  ? 26.081  40.930 -3.549 1.00 79.39  ? 66  ASP A CB    1 
ATOM   511  C CG    . ASP A 1 68  ? 26.442  40.734 -5.022 1.00 85.77  ? 66  ASP A CG    1 
ATOM   512  O OD1   . ASP A 1 68  ? 26.274  39.592 -5.515 1.00 86.16  ? 66  ASP A OD1   1 
ATOM   513  O OD2   . ASP A 1 68  ? 26.855  41.711 -5.698 1.00 82.76  ? 66  ASP A OD2   1 
ATOM   514  N N     . GLY A 1 69  ? 27.890  41.019 -0.559 1.00 78.78  ? 67  GLY A N     1 
ATOM   515  C CA    . GLY A 1 69  ? 28.931  41.548 0.300  1.00 75.12  ? 67  GLY A CA    1 
ATOM   516  C C     . GLY A 1 69  ? 28.850  42.992 0.767  1.00 72.54  ? 67  GLY A C     1 
ATOM   517  O O     . GLY A 1 69  ? 29.813  43.470 1.381  1.00 70.42  ? 67  GLY A O     1 
ATOM   518  N N     . THR A 1 70  ? 27.758  43.702 0.515  1.00 69.78  ? 68  THR A N     1 
ATOM   519  C CA    . THR A 1 70  ? 27.677  45.085 0.972  1.00 68.19  ? 68  THR A CA    1 
ATOM   520  C C     . THR A 1 70  ? 27.165  45.152 2.415  1.00 66.06  ? 68  THR A C     1 
ATOM   521  O O     . THR A 1 70  ? 26.556  44.214 2.934  1.00 64.26  ? 68  THR A O     1 
ATOM   522  C CB    . THR A 1 70  ? 26.820  45.948 0.023  1.00 72.51  ? 68  THR A CB    1 
ATOM   523  O OG1   . THR A 1 70  ? 26.252  47.057 0.745  1.00 69.87  ? 68  THR A OG1   1 
ATOM   524  C CG2   . THR A 1 70  ? 25.734  45.134 -0.730 1.00 65.04  ? 68  THR A CG2   1 
ATOM   525  N N     . ASN A 1 71  ? 27.469  46.267 3.076  1.00 67.49  ? 69  ASN A N     1 
ATOM   526  C CA    . ASN A 1 71  ? 27.330  46.345 4.524  1.00 63.58  ? 69  ASN A CA    1 
ATOM   527  C C     . ASN A 1 71  ? 25.859  46.371 4.922  1.00 61.15  ? 69  ASN A C     1 
ATOM   528  O O     . ASN A 1 71  ? 25.066  47.141 4.379  1.00 60.60  ? 69  ASN A O     1 
ATOM   529  C CB    . ASN A 1 71  ? 28.051  47.588 5.052  1.00 62.31  ? 69  ASN A CB    1 
ATOM   530  C CG    . ASN A 1 71  ? 27.925  47.750 6.560  1.00 60.45  ? 69  ASN A CG    1 
ATOM   531  O OD1   . ASN A 1 71  ? 27.678  48.855 7.055  1.00 59.59  ? 69  ASN A OD1   1 
ATOM   532  N ND2   . ASN A 1 71  ? 28.105  46.651 7.301  1.00 59.49  ? 69  ASN A ND2   1 
ATOM   533  N N     . LEU A 1 72  ? 25.498  45.549 5.895  1.00 58.40  ? 70  LEU A N     1 
ATOM   534  C CA    . LEU A 1 72  ? 24.138  45.538 6.402  1.00 57.63  ? 70  LEU A CA    1 
ATOM   535  C C     . LEU A 1 72  ? 23.961  46.433 7.632  1.00 53.07  ? 70  LEU A C     1 
ATOM   536  O O     . LEU A 1 72  ? 22.819  46.745 7.987  1.00 50.54  ? 70  LEU A O     1 
ATOM   537  C CB    . LEU A 1 72  ? 23.742  44.085 6.708  1.00 59.07  ? 70  LEU A CB    1 
ATOM   538  C CG    . LEU A 1 72  ? 23.436  43.231 5.473  1.00 56.32  ? 70  LEU A CG    1 
ATOM   539  C CD1   . LEU A 1 72  ? 23.198  41.768 5.814  1.00 56.15  ? 70  LEU A CD1   1 
ATOM   540  C CD2   . LEU A 1 72  ? 22.219  43.804 4.827  1.00 52.87  ? 70  LEU A CD2   1 
ATOM   541  N N     . GLU A 1 73  ? 25.072  46.886 8.234  1.00 53.24  ? 71  GLU A N     1 
ATOM   542  C CA    . GLU A 1 73  ? 25.196  47.828 9.365  1.00 52.80  ? 71  GLU A CA    1 
ATOM   543  C C     . GLU A 1 73  ? 24.873  47.243 10.737 1.00 50.51  ? 71  GLU A C     1 
ATOM   544  O O     . GLU A 1 73  ? 24.686  47.991 11.695 1.00 47.86  ? 71  GLU A O     1 
ATOM   545  C CB    . GLU A 1 73  ? 24.388  49.116 9.170  1.00 48.52  ? 71  GLU A CB    1 
ATOM   546  C CG    . GLU A 1 73  ? 25.333  50.236 8.789  1.00 53.00  ? 71  GLU A CG    1 
ATOM   547  C CD    . GLU A 1 73  ? 26.050  50.909 9.980  1.00 60.74  ? 71  GLU A CD    1 
ATOM   548  O OE1   . GLU A 1 73  ? 26.524  52.060 9.794  1.00 60.96  ? 71  GLU A OE1   1 
ATOM   549  O OE2   . GLU A 1 73  ? 26.091  50.342 11.117 1.00 62.28  ? 71  GLU A OE2   1 
ATOM   550  N N     . LEU A 1 74  ? 24.872  45.931 10.881 1.00 51.03  ? 72  LEU A N     1 
ATOM   551  C CA    . LEU A 1 74  ? 24.574  45.278 12.140 1.00 48.90  ? 72  LEU A CA    1 
ATOM   552  C C     . LEU A 1 74  ? 25.775  44.447 12.527 1.00 50.72  ? 72  LEU A C     1 
ATOM   553  O O     . LEU A 1 74  ? 26.429  43.863 11.655 1.00 50.94  ? 72  LEU A O     1 
ATOM   554  C CB    . LEU A 1 74  ? 23.347  44.373 12.036 1.00 48.83  ? 72  LEU A CB    1 
ATOM   555  C CG    . LEU A 1 74  ? 22.017  45.044 11.722 1.00 45.93  ? 72  LEU A CG    1 
ATOM   556  C CD1   . LEU A 1 74  ? 20.959  43.977 11.538 1.00 43.23  ? 72  LEU A CD1   1 
ATOM   557  C CD2   . LEU A 1 74  ? 21.663  45.996 12.851 1.00 45.42  ? 72  LEU A CD2   1 
ATOM   558  N N     . THR A 1 75  ? 26.093  44.447 13.826 1.00 50.39  ? 73  THR A N     1 
ATOM   559  C CA    . THR A 1 75  ? 27.048  43.527 14.417 1.00 45.58  ? 73  THR A CA    1 
ATOM   560  C C     . THR A 1 75  ? 26.322  42.583 15.359 1.00 42.86  ? 73  THR A C     1 
ATOM   561  O O     . THR A 1 75  ? 25.569  43.022 16.239 1.00 44.49  ? 73  THR A O     1 
ATOM   562  C CB    . THR A 1 75  ? 28.151  44.275 15.153 1.00 46.25  ? 73  THR A CB    1 
ATOM   563  O OG1   . THR A 1 75  ? 28.562  45.405 14.374 1.00 48.92  ? 73  THR A OG1   1 
ATOM   564  C CG2   . THR A 1 75  ? 29.342  43.355 15.370 1.00 45.46  ? 73  THR A CG2   1 
ATOM   565  N N     . LEU A 1 76  ? 26.569  41.297 15.167 1.00 41.37  ? 74  LEU A N     1 
ATOM   566  C CA    . LEU A 1 76  ? 26.039  40.217 15.977 1.00 41.69  ? 74  LEU A CA    1 
ATOM   567  C C     . LEU A 1 76  ? 27.148  39.717 16.879 1.00 46.61  ? 74  LEU A C     1 
ATOM   568  O O     . LEU A 1 76  ? 28.199  39.296 16.386 1.00 47.66  ? 74  LEU A O     1 
ATOM   569  C CB    . LEU A 1 76  ? 25.570  39.080 15.085 1.00 41.32  ? 74  LEU A CB    1 
ATOM   570  C CG    . LEU A 1 76  ? 24.082  38.862 15.038 1.00 47.18  ? 74  LEU A CG    1 
ATOM   571  C CD1   . LEU A 1 76  ? 23.397  40.143 14.577 1.00 46.19  ? 74  LEU A CD1   1 
ATOM   572  C CD2   . LEU A 1 76  ? 23.845  37.711 14.065 1.00 50.78  ? 74  LEU A CD2   1 
ATOM   573  N N     . LEU A 1 77  ? 26.937  39.755 18.187 1.00 45.77  ? 75  LEU A N     1 
ATOM   574  C CA    . LEU A 1 77  ? 28.005  39.349 19.086 1.00 44.80  ? 75  LEU A CA    1 
ATOM   575  C C     . LEU A 1 77  ? 27.511  38.351 20.121 1.00 45.65  ? 75  LEU A C     1 
ATOM   576  O O     . LEU A 1 77  ? 26.369  38.407 20.584 1.00 47.51  ? 75  LEU A O     1 
ATOM   577  C CB    . LEU A 1 77  ? 28.669  40.565 19.745 1.00 43.11  ? 75  LEU A CB    1 
ATOM   578  C CG    . LEU A 1 77  ? 27.909  41.602 20.552 1.00 41.18  ? 75  LEU A CG    1 
ATOM   579  C CD1   . LEU A 1 77  ? 28.915  42.452 21.266 1.00 40.65  ? 75  LEU A CD1   1 
ATOM   580  C CD2   . LEU A 1 77  ? 27.114  42.482 19.623 1.00 43.99  ? 75  LEU A CD2   1 
ATOM   581  N N     . LYS A 1 78  ? 28.403  37.429 20.471 1.00 47.10  ? 76  LYS A N     1 
ATOM   582  C CA    . LYS A 1 78  ? 28.130  36.385 21.447 1.00 47.61  ? 76  LYS A CA    1 
ATOM   583  C C     . LYS A 1 78  ? 28.951  36.678 22.685 1.00 47.84  ? 76  LYS A C     1 
ATOM   584  O O     . LYS A 1 78  ? 30.192  36.678 22.622 1.00 47.06  ? 76  LYS A O     1 
ATOM   585  C CB    . LYS A 1 78  ? 28.473  34.998 20.910 1.00 48.56  ? 76  LYS A CB    1 
ATOM   586  C CG    . LYS A 1 78  ? 28.274  33.905 21.942 1.00 49.51  ? 76  LYS A CG    1 
ATOM   587  C CD    . LYS A 1 78  ? 28.709  32.562 21.408 1.00 52.57  ? 76  LYS A CD    1 
ATOM   588  C CE    . LYS A 1 78  ? 28.178  31.432 22.272 1.00 59.87  ? 76  LYS A CE    1 
ATOM   589  N NZ    . LYS A 1 78  ? 29.046  30.208 22.189 1.00 64.15  ? 76  LYS A NZ    1 
ATOM   590  N N     . LEU A 1 79  ? 28.249  36.887 23.800 1.00 51.65  ? 77  LEU A N     1 
ATOM   591  C CA    . LEU A 1 79  ? 28.826  37.321 25.063 1.00 49.45  ? 77  LEU A CA    1 
ATOM   592  C C     . LEU A 1 79  ? 29.020  36.139 26.004 1.00 51.36  ? 77  LEU A C     1 
ATOM   593  O O     . LEU A 1 79  ? 28.176  35.234 26.073 1.00 53.77  ? 77  LEU A O     1 
ATOM   594  C CB    . LEU A 1 79  ? 27.929  38.351 25.733 1.00 43.71  ? 77  LEU A CB    1 
ATOM   595  C CG    . LEU A 1 79  ? 27.593  39.580 24.915 1.00 42.83  ? 77  LEU A CG    1 
ATOM   596  C CD1   . LEU A 1 79  ? 26.332  40.175 25.502 1.00 43.90  ? 77  LEU A CD1   1 
ATOM   597  C CD2   . LEU A 1 79  ? 28.732  40.573 24.933 1.00 40.95  ? 77  LEU A CD2   1 
ATOM   598  N N     . ASN A 1 80  ? 30.123  36.183 26.755 1.00 49.69  ? 78  ASN A N     1 
ATOM   599  C CA    . ASN A 1 80  ? 30.472  35.162 27.735 1.00 52.19  ? 78  ASN A CA    1 
ATOM   600  C C     . ASN A 1 80  ? 29.758  35.552 29.020 1.00 53.13  ? 78  ASN A C     1 
ATOM   601  O O     . ASN A 1 80  ? 30.239  36.387 29.785 1.00 54.41  ? 78  ASN A O     1 
ATOM   602  C CB    . ASN A 1 80  ? 31.991  35.098 27.888 1.00 53.50  ? 78  ASN A CB    1 
ATOM   603  C CG    . ASN A 1 80  ? 32.455  34.457 29.204 1.00 55.42  ? 78  ASN A CG    1 
ATOM   604  O OD1   . ASN A 1 80  ? 32.431  35.093 30.262 1.00 52.01  ? 78  ASN A OD1   1 
ATOM   605  N ND2   . ASN A 1 80  ? 32.960  33.221 29.118 1.00 56.36  ? 78  ASN A ND2   1 
ATOM   606  N N     . ARG A 1 81  ? 28.556  35.006 29.223 1.00 59.08  ? 79  ARG A N     1 
ATOM   607  C CA    . ARG A 1 81  ? 27.851  35.264 30.470 1.00 65.00  ? 79  ARG A CA    1 
ATOM   608  C C     . ARG A 1 81  ? 26.827  34.174 30.750 1.00 72.63  ? 79  ARG A C     1 
ATOM   609  O O     . ARG A 1 81  ? 26.272  33.564 29.835 1.00 69.72  ? 79  ARG A O     1 
ATOM   610  C CB    . ARG A 1 81  ? 27.207  36.650 30.480 1.00 60.30  ? 79  ARG A CB    1 
ATOM   611  C CG    . ARG A 1 81  ? 26.394  36.994 29.297 1.00 55.93  ? 79  ARG A CG    1 
ATOM   612  C CD    . ARG A 1 81  ? 26.118  38.490 29.307 1.00 52.84  ? 79  ARG A CD    1 
ATOM   613  N NE    . ARG A 1 81  ? 25.029  38.854 30.208 1.00 56.30  ? 79  ARG A NE    1 
ATOM   614  C CZ    . ARG A 1 81  ? 23.761  38.486 30.060 1.00 55.50  ? 79  ARG A CZ    1 
ATOM   615  N NH1   . ARG A 1 81  ? 23.362  37.776 29.014 1.00 55.06  ? 79  ARG A NH1   1 
ATOM   616  N NH2   . ARG A 1 81  ? 22.873  38.833 30.989 1.00 54.89  ? 79  ARG A NH2   1 
ATOM   617  N N     . ASN A 1 82  ? 26.592  33.952 32.048 1.00 85.41  ? 80  ASN A N     1 
ATOM   618  C CA    . ASN A 1 82  ? 25.773  32.847 32.535 1.00 86.64  ? 80  ASN A CA    1 
ATOM   619  C C     . ASN A 1 82  ? 24.284  33.111 32.375 1.00 86.63  ? 80  ASN A C     1 
ATOM   620  O O     . ASN A 1 82  ? 23.501  32.162 32.221 1.00 88.41  ? 80  ASN A O     1 
ATOM   621  C CB    . ASN A 1 82  ? 26.122  32.568 33.991 1.00 89.45  ? 80  ASN A CB    1 
ATOM   622  C CG    . ASN A 1 82  ? 27.615  32.730 34.256 1.00 92.57  ? 80  ASN A CG    1 
ATOM   623  O OD1   . ASN A 1 82  ? 28.375  31.764 34.187 1.00 94.95  ? 80  ASN A OD1   1 
ATOM   624  N ND2   . ASN A 1 82  ? 28.042  33.957 34.556 1.00 94.14  ? 80  ASN A ND2   1 
ATOM   625  N N     . GLU A 1 83  ? 23.871  34.374 32.426 1.00 72.63  ? 81  GLU A N     1 
ATOM   626  C CA    . GLU A 1 83  ? 22.474  34.715 32.205 1.00 69.79  ? 81  GLU A CA    1 
ATOM   627  C C     . GLU A 1 83  ? 22.168  34.685 30.702 1.00 68.26  ? 81  GLU A C     1 
ATOM   628  O O     . GLU A 1 83  ? 22.875  35.307 29.896 1.00 67.02  ? 81  GLU A O     1 
ATOM   629  C CB    . GLU A 1 83  ? 22.181  36.084 32.823 1.00 68.99  ? 81  GLU A CB    1 
ATOM   630  C CG    . GLU A 1 83  ? 22.601  36.166 34.300 1.00 71.39  ? 81  GLU A CG    1 
ATOM   631  C CD    . GLU A 1 83  ? 21.942  37.312 35.079 1.00 71.61  ? 81  GLU A CD    1 
ATOM   632  O OE1   . GLU A 1 83  ? 21.334  38.203 34.448 1.00 71.68  ? 81  GLU A OE1   1 
ATOM   633  O OE2   . GLU A 1 83  ? 22.017  37.305 36.330 1.00 73.88  ? 81  GLU A OE2   1 
ATOM   634  N N     . LYS A 1 84  ? 21.127  33.945 30.324 1.00 65.12  ? 82  LYS A N     1 
ATOM   635  C CA    . LYS A 1 84  ? 20.647  33.897 28.950 1.00 57.40  ? 82  LYS A CA    1 
ATOM   636  C C     . LYS A 1 84  ? 19.551  34.942 28.720 1.00 57.46  ? 82  LYS A C     1 
ATOM   637  O O     . LYS A 1 84  ? 18.883  35.406 29.655 1.00 56.84  ? 82  LYS A O     1 
ATOM   638  C CB    . LYS A 1 84  ? 20.114  32.505 28.608 1.00 56.13  ? 82  LYS A CB    1 
ATOM   639  C CG    . LYS A 1 84  ? 21.168  31.437 28.456 1.00 54.24  ? 82  LYS A CG    1 
ATOM   640  C CD    . LYS A 1 84  ? 20.544  30.122 27.992 1.00 53.15  ? 82  LYS A CD    1 
ATOM   641  C CE    . LYS A 1 84  ? 21.188  28.918 28.696 1.00 59.59  ? 82  LYS A CE    1 
ATOM   642  N NZ    . LYS A 1 84  ? 20.201  28.033 29.431 1.00 66.15  ? 82  LYS A NZ    1 
ATOM   643  N N     . PHE A 1 85  ? 19.387  35.321 27.449 1.00 57.99  ? 83  PHE A N     1 
ATOM   644  C CA    . PHE A 1 85  ? 18.375  36.275 27.000 1.00 53.96  ? 83  PHE A CA    1 
ATOM   645  C C     . PHE A 1 85  ? 17.014  35.625 26.733 1.00 53.92  ? 83  PHE A C     1 
ATOM   646  O O     . PHE A 1 85  ? 16.935  34.463 26.313 1.00 52.76  ? 83  PHE A O     1 
ATOM   647  C CB    . PHE A 1 85  ? 18.843  36.941 25.717 1.00 47.84  ? 83  PHE A CB    1 
ATOM   648  C CG    . PHE A 1 85  ? 19.976  37.891 25.896 1.00 46.59  ? 83  PHE A CG    1 
ATOM   649  C CD1   . PHE A 1 85  ? 19.762  39.154 26.403 1.00 43.84  ? 83  PHE A CD1   1 
ATOM   650  C CD2   . PHE A 1 85  ? 21.260  37.539 25.493 1.00 48.38  ? 83  PHE A CD2   1 
ATOM   651  C CE1   . PHE A 1 85  ? 20.803  40.052 26.527 1.00 40.07  ? 83  PHE A CE1   1 
ATOM   652  C CE2   . PHE A 1 85  ? 22.307  38.427 25.609 1.00 46.48  ? 83  PHE A CE2   1 
ATOM   653  C CZ    . PHE A 1 85  ? 22.073  39.688 26.132 1.00 44.33  ? 83  PHE A CZ    1 
ATOM   654  N N     . ARG A 1 86  ? 15.933  36.411 26.929 1.00 53.95  ? 84  ARG A N     1 
ATOM   655  C CA    . ARG A 1 86  ? 14.611  35.985 26.466 1.00 51.73  ? 84  ARG A CA    1 
ATOM   656  C C     . ARG A 1 86  ? 14.631  35.883 24.959 1.00 50.63  ? 84  ARG A C     1 
ATOM   657  O O     . ARG A 1 86  ? 14.937  36.862 24.266 1.00 48.23  ? 84  ARG A O     1 
ATOM   658  C CB    . ARG A 1 86  ? 13.484  36.939 26.878 1.00 49.68  ? 84  ARG A CB    1 
ATOM   659  C CG    . ARG A 1 86  ? 12.137  36.573 26.161 1.00 47.25  ? 84  ARG A CG    1 
ATOM   660  C CD    . ARG A 1 86  ? 10.920  37.507 26.418 1.00 42.67  ? 84  ARG A CD    1 
ATOM   661  N NE    . ARG A 1 86  ? 11.154  38.915 26.102 1.00 39.79  ? 84  ARG A NE    1 
ATOM   662  C CZ    . ARG A 1 86  ? 10.195  39.798 25.860 1.00 37.69  ? 84  ARG A CZ    1 
ATOM   663  N NH1   . ARG A 1 86  ? 8.928   39.434 25.810 1.00 42.61  ? 84  ARG A NH1   1 
ATOM   664  N NH2   . ARG A 1 86  ? 10.513  41.082 25.689 1.00 35.42  ? 84  ARG A NH2   1 
ATOM   665  N N     . ASP A 1 87  ? 14.254  34.708 24.465 1.00 52.97  ? 85  ASP A N     1 
ATOM   666  C CA    . ASP A 1 87  ? 14.260  34.381 23.042 1.00 49.69  ? 85  ASP A CA    1 
ATOM   667  C C     . ASP A 1 87  ? 13.160  35.172 22.334 1.00 48.04  ? 85  ASP A C     1 
ATOM   668  O O     . ASP A 1 87  ? 11.982  34.809 22.383 1.00 46.77  ? 85  ASP A O     1 
ATOM   669  C CB    . ASP A 1 87  ? 14.069  32.878 22.877 1.00 49.09  ? 85  ASP A CB    1 
ATOM   670  C CG    . ASP A 1 87  ? 14.421  32.397 21.494 1.00 50.53  ? 85  ASP A CG    1 
ATOM   671  O OD1   . ASP A 1 87  ? 14.707  33.244 20.608 1.00 50.31  ? 85  ASP A OD1   1 
ATOM   672  O OD2   . ASP A 1 87  ? 14.419  31.157 21.307 1.00 51.14  ? 85  ASP A OD2   1 
ATOM   673  N N     . ILE A 1 88  ? 13.529  36.289 21.713 1.00 45.92  ? 86  ILE A N     1 
ATOM   674  C CA    . ILE A 1 88  ? 12.574  37.125 21.005 1.00 46.13  ? 86  ILE A CA    1 
ATOM   675  C C     . ILE A 1 88  ? 12.522  36.764 19.526 1.00 50.08  ? 86  ILE A C     1 
ATOM   676  O O     . ILE A 1 88  ? 12.025  37.553 18.719 1.00 49.80  ? 86  ILE A O     1 
ATOM   677  C CB    . ILE A 1 88  ? 12.895  38.612 21.166 1.00 44.64  ? 86  ILE A CB    1 
ATOM   678  C CG1   . ILE A 1 88  ? 14.419  38.747 21.209 1.00 47.98  ? 86  ILE A CG1   1 
ATOM   679  C CG2   . ILE A 1 88  ? 12.191  39.174 22.386 1.00 44.36  ? 86  ILE A CG2   1 
ATOM   680  C CD1   . ILE A 1 88  ? 14.992  40.139 21.019 1.00 46.25  ? 86  ILE A CD1   1 
ATOM   681  N N     . ARG A 1 89  ? 13.051  35.595 19.152 1.00 50.79  ? 87  ARG A N     1 
ATOM   682  C CA    . ARG A 1 89  ? 13.143  35.249 17.738 1.00 48.89  ? 87  ARG A CA    1 
ATOM   683  C C     . ARG A 1 89  ? 11.759  35.133 17.100 1.00 51.56  ? 87  ARG A C     1 
ATOM   684  O O     . ARG A 1 89  ? 11.579  35.436 15.910 1.00 53.95  ? 87  ARG A O     1 
ATOM   685  C CB    . ARG A 1 89  ? 13.978  33.976 17.571 1.00 49.72  ? 87  ARG A CB    1 
ATOM   686  C CG    . ARG A 1 89  ? 15.489  34.254 17.683 1.00 50.06  ? 87  ARG A CG    1 
ATOM   687  C CD    . ARG A 1 89  ? 16.326  33.000 17.473 1.00 49.69  ? 87  ARG A CD    1 
ATOM   688  N NE    . ARG A 1 89  ? 16.160  32.054 18.571 1.00 50.75  ? 87  ARG A NE    1 
ATOM   689  C CZ    . ARG A 1 89  ? 16.822  30.908 18.680 1.00 52.73  ? 87  ARG A CZ    1 
ATOM   690  N NH1   . ARG A 1 89  ? 17.698  30.523 17.759 1.00 51.94  ? 87  ARG A NH1   1 
ATOM   691  N NH2   . ARG A 1 89  ? 16.581  30.117 19.724 1.00 51.57  ? 87  ARG A NH2   1 
ATOM   692  N N     . GLY A 1 90  ? 10.752  34.749 17.870 1.00 49.92  ? 88  GLY A N     1 
ATOM   693  C CA    . GLY A 1 90  ? 9.432   34.839 17.294 1.00 47.81  ? 88  GLY A CA    1 
ATOM   694  C C     . GLY A 1 90  ? 8.991   36.248 16.959 1.00 46.89  ? 88  GLY A C     1 
ATOM   695  O O     . GLY A 1 90  ? 7.982   36.404 16.267 1.00 53.33  ? 88  GLY A O     1 
ATOM   696  N N     . PHE A 1 91  ? 9.698   37.273 17.419 1.00 45.80  ? 89  PHE A N     1 
ATOM   697  C CA    . PHE A 1 91  ? 9.169   38.630 17.334 1.00 47.76  ? 89  PHE A CA    1 
ATOM   698  C C     . PHE A 1 91  ? 9.745   39.466 16.189 1.00 46.62  ? 89  PHE A C     1 
ATOM   699  O O     . PHE A 1 91  ? 9.212   40.548 15.916 1.00 44.01  ? 89  PHE A O     1 
ATOM   700  C CB    . PHE A 1 91  ? 9.382   39.356 18.681 1.00 48.41  ? 89  PHE A CB    1 
ATOM   701  C CG    . PHE A 1 91  ? 8.417   38.918 19.786 1.00 48.59  ? 89  PHE A CG    1 
ATOM   702  C CD1   . PHE A 1 91  ? 8.072   39.790 20.815 1.00 45.11  ? 89  PHE A CD1   1 
ATOM   703  C CD2   . PHE A 1 91  ? 7.847   37.641 19.774 1.00 47.63  ? 89  PHE A CD2   1 
ATOM   704  C CE1   . PHE A 1 91  ? 7.203   39.401 21.805 1.00 43.88  ? 89  PHE A CE1   1 
ATOM   705  C CE2   . PHE A 1 91  ? 6.982   37.250 20.756 1.00 46.21  ? 89  PHE A CE2   1 
ATOM   706  C CZ    . PHE A 1 91  ? 6.661   38.132 21.779 1.00 47.24  ? 89  PHE A CZ    1 
ATOM   707  N N     . LEU A 1 92  ? 10.837  39.036 15.558 1.00 48.28  ? 90  LEU A N     1 
ATOM   708  C CA    . LEU A 1 92  ? 11.433  39.737 14.423 1.00 50.23  ? 90  LEU A CA    1 
ATOM   709  C C     . LEU A 1 92  ? 11.072  39.075 13.085 1.00 53.75  ? 90  LEU A C     1 
ATOM   710  O O     . LEU A 1 92  ? 10.976  37.849 12.980 1.00 55.15  ? 90  LEU A O     1 
ATOM   711  C CB    . LEU A 1 92  ? 12.948  39.861 14.598 1.00 47.41  ? 90  LEU A CB    1 
ATOM   712  C CG    . LEU A 1 92  ? 13.935  38.704 14.574 1.00 46.91  ? 90  LEU A CG    1 
ATOM   713  C CD1   . LEU A 1 92  ? 15.296  39.271 14.912 1.00 47.13  ? 90  LEU A CD1   1 
ATOM   714  C CD2   . LEU A 1 92  ? 13.608  37.683 15.561 1.00 44.65  ? 90  LEU A CD2   1 
ATOM   715  N N     . ALA A 1 93  ? 10.907  39.908 12.053 1.00 53.54  ? 91  ALA A N     1 
ATOM   716  C CA    . ALA A 1 93  ? 10.312  39.521 10.779 1.00 55.29  ? 91  ALA A CA    1 
ATOM   717  C C     . ALA A 1 93  ? 11.240  38.745 9.839  1.00 59.69  ? 91  ALA A C     1 
ATOM   718  O O     . ALA A 1 93  ? 12.464  38.879 9.881  1.00 58.80  ? 91  ALA A O     1 
ATOM   719  C CB    . ALA A 1 93  ? 9.842   40.779 10.068 1.00 56.04  ? 91  ALA A CB    1 
ATOM   720  N N     . LYS A 1 94  ? 10.616  37.955 8.941  1.00 63.87  ? 92  LYS A N     1 
ATOM   721  C CA    . LYS A 1 94  ? 11.333  37.198 7.899  1.00 64.35  ? 92  LYS A CA    1 
ATOM   722  C C     . LYS A 1 94  ? 11.886  38.102 6.800  1.00 63.84  ? 92  LYS A C     1 
ATOM   723  O O     . LYS A 1 94  ? 13.009  37.894 6.326  1.00 63.44  ? 92  LYS A O     1 
ATOM   724  C CB    . LYS A 1 94  ? 10.417  36.148 7.258  1.00 62.16  ? 92  LYS A CB    1 
ATOM   725  C CG    . LYS A 1 94  ? 9.980   35.025 8.182  1.00 63.24  ? 92  LYS A CG    1 
ATOM   726  C CD    . LYS A 1 94  ? 9.667   33.757 7.406  1.00 61.56  ? 92  LYS A CD    1 
ATOM   727  C CE    . LYS A 1 94  ? 10.766  32.710 7.589  1.00 62.54  ? 92  LYS A CE    1 
ATOM   728  N NZ    . LYS A 1 94  ? 10.210  31.341 7.843  1.00 62.46  ? 92  LYS A NZ    1 
ATOM   729  N N     . GLU A 1 95  ? 11.092  39.069 6.340  1.00 67.98  ? 93  GLU A N     1 
ATOM   730  C CA    . GLU A 1 95  ? 11.553  40.115 5.439  1.00 68.29  ? 93  GLU A CA    1 
ATOM   731  C C     . GLU A 1 95  ? 11.128  41.448 6.023  1.00 66.26  ? 93  GLU A C     1 
ATOM   732  O O     . GLU A 1 95  ? 10.256  41.508 6.896  1.00 68.07  ? 93  GLU A O     1 
ATOM   733  C CB    . GLU A 1 95  ? 10.942  40.013 4.029  1.00 70.68  ? 93  GLU A CB    1 
ATOM   734  C CG    . GLU A 1 95  ? 10.931  38.669 3.314  1.00 73.22  ? 93  GLU A CG    1 
ATOM   735  C CD    . GLU A 1 95  ? 9.887   37.717 3.865  1.00 73.15  ? 93  GLU A CD    1 
ATOM   736  O OE1   . GLU A 1 95  ? 9.757   36.605 3.295  1.00 75.82  ? 93  GLU A OE1   1 
ATOM   737  O OE2   . GLU A 1 95  ? 9.241   38.066 4.889  1.00 70.80  ? 93  GLU A OE2   1 
ATOM   738  N N     . GLU A 1 96  ? 11.652  42.525 5.439  1.00 58.99  ? 94  GLU A N     1 
ATOM   739  C CA    . GLU A 1 96  ? 11.447  43.855 5.995  1.00 54.87  ? 94  GLU A CA    1 
ATOM   740  C C     . GLU A 1 96  ? 9.949   44.147 6.115  1.00 56.16  ? 94  GLU A C     1 
ATOM   741  O O     . GLU A 1 96  ? 9.126   43.637 5.347  1.00 59.23  ? 94  GLU A O     1 
ATOM   742  C CB    . GLU A 1 96  ? 12.177  44.876 5.127  1.00 52.70  ? 94  GLU A CB    1 
ATOM   743  C CG    . GLU A 1 96  ? 13.514  44.291 4.605  1.00 53.31  ? 94  GLU A CG    1 
ATOM   744  C CD    . GLU A 1 96  ? 14.137  45.079 3.449  1.00 50.76  ? 94  GLU A CD    1 
ATOM   745  O OE1   . GLU A 1 96  ? 14.465  46.277 3.654  1.00 46.15  ? 94  GLU A OE1   1 
ATOM   746  O OE2   . GLU A 1 96  ? 14.303  44.501 2.337  1.00 52.80  ? 94  GLU A OE2   1 
ATOM   747  N N     . VAL A 1 97  ? 9.579   44.901 7.148  1.00 54.38  ? 95  VAL A N     1 
ATOM   748  C CA    . VAL A 1 97  ? 8.182   45.020 7.543  1.00 53.75  ? 95  VAL A CA    1 
ATOM   749  C C     . VAL A 1 97  ? 7.785   46.490 7.579  1.00 55.33  ? 95  VAL A C     1 
ATOM   750  O O     . VAL A 1 97  ? 8.418   47.303 8.272  1.00 50.48  ? 95  VAL A O     1 
ATOM   751  C CB    . VAL A 1 97  ? 7.911   44.341 8.895  1.00 49.66  ? 95  VAL A CB    1 
ATOM   752  C CG1   . VAL A 1 97  ? 6.733   45.002 9.598  1.00 49.89  ? 95  VAL A CG1   1 
ATOM   753  C CG2   . VAL A 1 97  ? 7.597   42.891 8.666  1.00 51.68  ? 95  VAL A CG2   1 
ATOM   754  N N     . GLU A 1 98  ? 6.733   46.819 6.830  1.00 54.56  ? 96  GLU A N     1 
ATOM   755  C CA    . GLU A 1 98  ? 6.098   48.124 6.891  1.00 55.62  ? 96  GLU A CA    1 
ATOM   756  C C     . GLU A 1 98  ? 4.979   48.150 7.946  1.00 52.19  ? 96  GLU A C     1 
ATOM   757  O O     . GLU A 1 98  ? 4.276   47.151 8.163  1.00 45.86  ? 96  GLU A O     1 
ATOM   758  C CB    . GLU A 1 98  ? 5.562   48.484 5.501  1.00 57.69  ? 96  GLU A CB    1 
ATOM   759  C CG    . GLU A 1 98  ? 6.450   49.468 4.756  1.00 56.93  ? 96  GLU A CG    1 
ATOM   760  C CD    . GLU A 1 98  ? 5.819   50.041 3.487  1.00 61.85  ? 96  GLU A CD    1 
ATOM   761  O OE1   . GLU A 1 98  ? 4.872   50.866 3.591  1.00 63.56  ? 96  GLU A OE1   1 
ATOM   762  O OE2   . GLU A 1 98  ? 6.310   49.698 2.379  1.00 63.61  ? 96  GLU A OE2   1 
ATOM   763  N N     . VAL A 1 99  ? 4.856   49.288 8.636  1.00 53.42  ? 97  VAL A N     1 
ATOM   764  C CA    . VAL A 1 99  ? 3.838   49.498 9.664  1.00 55.45  ? 97  VAL A CA    1 
ATOM   765  C C     . VAL A 1 99  ? 3.498   50.982 9.686  1.00 58.92  ? 97  VAL A C     1 
ATOM   766  O O     . VAL A 1 99  ? 4.327   51.838 9.360  1.00 59.15  ? 97  VAL A O     1 
ATOM   767  C CB    . VAL A 1 99  ? 4.253   49.051 11.093 1.00 56.06  ? 97  VAL A CB    1 
ATOM   768  C CG1   . VAL A 1 99  ? 4.802   47.630 11.135 1.00 53.04  ? 97  VAL A CG1   1 
ATOM   769  C CG2   . VAL A 1 99  ? 5.226   50.037 11.727 1.00 56.54  ? 97  VAL A CG2   1 
ATOM   770  N N     . ASN A 1 100 ? 2.251   51.279 10.027 1.00 58.79  ? 98  ASN A N     1 
ATOM   771  C CA    . ASN A 1 100 ? 1.813   52.667 10.048 1.00 60.99  ? 98  ASN A CA    1 
ATOM   772  C C     . ASN A 1 100 ? 2.342   53.394 11.273 1.00 63.63  ? 98  ASN A C     1 
ATOM   773  O O     . ASN A 1 100 ? 2.478   54.626 11.252 1.00 63.78  ? 98  ASN A O     1 
ATOM   774  C CB    . ASN A 1 100 ? 0.287   52.740 10.013 1.00 60.91  ? 98  ASN A CB    1 
ATOM   775  C CG    . ASN A 1 100 ? -0.276  52.441 8.645  1.00 61.83  ? 98  ASN A CG    1 
ATOM   776  O OD1   . ASN A 1 100 ? 0.300   51.661 7.874  1.00 61.54  ? 98  ASN A OD1   1 
ATOM   777  N ND2   . ASN A 1 100 ? -1.434  53.033 8.340  1.00 64.00  ? 98  ASN A ND2   1 
ATOM   778  N N     . GLU A 1 101 ? 2.581   52.648 12.356 1.00 65.97  ? 99  GLU A N     1 
ATOM   779  C CA    . GLU A 1 101 ? 2.922   53.178 13.670 1.00 65.46  ? 99  GLU A CA    1 
ATOM   780  C C     . GLU A 1 101 ? 4.012   52.322 14.293 1.00 63.29  ? 99  GLU A C     1 
ATOM   781  O O     . GLU A 1 101 ? 3.838   51.107 14.426 1.00 61.95  ? 99  GLU A O     1 
ATOM   782  C CB    . GLU A 1 101 ? 1.695   53.155 14.594 1.00 67.76  ? 99  GLU A CB    1 
ATOM   783  C CG    . GLU A 1 101 ? 0.555   54.087 14.216 1.00 70.82  ? 99  GLU A CG    1 
ATOM   784  C CD    . GLU A 1 101 ? 0.972   55.552 14.233 1.00 74.60  ? 99  GLU A CD    1 
ATOM   785  O OE1   . GLU A 1 101 ? 1.916   55.900 14.994 1.00 75.99  ? 99  GLU A OE1   1 
ATOM   786  O OE2   . GLU A 1 101 ? 0.340   56.357 13.505 1.00 76.30  ? 99  GLU A OE2   1 
ATOM   787  N N     . ALA A 1 102 ? 5.114   52.948 14.702 1.00 57.84  ? 100 ALA A N     1 
ATOM   788  C CA    . ALA A 1 102 ? 6.175   52.241 15.420 1.00 52.65  ? 100 ALA A CA    1 
ATOM   789  C C     . ALA A 1 102 ? 6.732   53.135 16.525 1.00 47.61  ? 100 ALA A C     1 
ATOM   790  O O     . ALA A 1 102 ? 6.516   54.350 16.546 1.00 47.90  ? 100 ALA A O     1 
ATOM   791  C CB    . ALA A 1 102 ? 7.301   51.780 14.483 1.00 49.22  ? 100 ALA A CB    1 
ATOM   792  N N     . VAL A 1 103 ? 7.430   52.524 17.471 1.00 47.11  ? 101 VAL A N     1 
ATOM   793  C CA    . VAL A 1 103 ? 8.102   53.281 18.520 1.00 48.64  ? 101 VAL A CA    1 
ATOM   794  C C     . VAL A 1 103 ? 9.548   52.842 18.536 1.00 43.63  ? 101 VAL A C     1 
ATOM   795  O O     . VAL A 1 103 ? 9.859   51.657 18.379 1.00 42.60  ? 101 VAL A O     1 
ATOM   796  C CB    . VAL A 1 103 ? 7.478   53.141 19.934 1.00 45.70  ? 101 VAL A CB    1 
ATOM   797  C CG1   . VAL A 1 103 ? 6.399   54.200 20.144 1.00 43.88  ? 101 VAL A CG1   1 
ATOM   798  C CG2   . VAL A 1 103 ? 6.959   51.733 20.207 1.00 44.45  ? 101 VAL A CG2   1 
ATOM   799  N N     . LEU A 1 104 ? 10.426  53.812 18.668 1.00 42.40  ? 102 LEU A N     1 
ATOM   800  C CA    . LEU A 1 104 ? 11.845  53.568 18.817 1.00 44.70  ? 102 LEU A CA    1 
ATOM   801  C C     . LEU A 1 104 ? 12.200  53.740 20.289 1.00 45.32  ? 102 LEU A C     1 
ATOM   802  O O     . LEU A 1 104 ? 11.908  54.780 20.893 1.00 44.09  ? 102 LEU A O     1 
ATOM   803  C CB    . LEU A 1 104 ? 12.637  54.519 17.932 1.00 43.40  ? 102 LEU A CB    1 
ATOM   804  C CG    . LEU A 1 104 ? 14.128  54.338 17.832 1.00 43.82  ? 102 LEU A CG    1 
ATOM   805  C CD1   . LEU A 1 104 ? 14.421  52.922 17.450 1.00 42.78  ? 102 LEU A CD1   1 
ATOM   806  C CD2   . LEU A 1 104 ? 14.587  55.297 16.772 1.00 46.39  ? 102 LEU A CD2   1 
ATOM   807  N N     . ALA A 1 105 ? 12.803  52.709 20.861 1.00 48.60  ? 103 ALA A N     1 
ATOM   808  C CA    . ALA A 1 105 ? 13.138  52.663 22.269 1.00 46.94  ? 103 ALA A CA    1 
ATOM   809  C C     . ALA A 1 105 ? 14.645  52.844 22.392 1.00 47.10  ? 103 ALA A C     1 
ATOM   810  O O     . ALA A 1 105 ? 15.426  52.071 21.824 1.00 47.49  ? 103 ALA A O     1 
ATOM   811  C CB    . ALA A 1 105 ? 12.680  51.345 22.884 1.00 43.77  ? 103 ALA A CB    1 
ATOM   812  N N     . ILE A 1 106 ? 15.044  53.871 23.126 1.00 49.89  ? 104 ILE A N     1 
ATOM   813  C CA    . ILE A 1 106 ? 16.442  54.225 23.339 1.00 51.55  ? 104 ILE A CA    1 
ATOM   814  C C     . ILE A 1 106 ? 16.740  54.136 24.828 1.00 50.49  ? 104 ILE A C     1 
ATOM   815  O O     . ILE A 1 106 ? 15.970  54.648 25.649 1.00 52.92  ? 104 ILE A O     1 
ATOM   816  C CB    . ILE A 1 106 ? 16.738  55.644 22.839 1.00 52.50  ? 104 ILE A CB    1 
ATOM   817  C CG1   . ILE A 1 106 ? 16.186  55.823 21.430 1.00 51.45  ? 104 ILE A CG1   1 
ATOM   818  C CG2   . ILE A 1 106 ? 18.242  55.927 22.928 1.00 54.92  ? 104 ILE A CG2   1 
ATOM   819  C CD1   . ILE A 1 106 ? 15.637  57.206 21.197 1.00 51.54  ? 104 ILE A CD1   1 
ATOM   820  N N     . ASN A 1 107 ? 17.884  53.539 25.172 1.00 51.81  ? 105 ASN A N     1 
ATOM   821  C CA    . ASN A 1 107 ? 18.288  53.309 26.573 1.00 53.95  ? 105 ASN A CA    1 
ATOM   822  C C     . ASN A 1 107 ? 19.785  53.656 26.793 1.00 53.16  ? 105 ASN A C     1 
ATOM   823  O O     . ASN A 1 107 ? 20.637  52.761 26.757 1.00 49.99  ? 105 ASN A O     1 
ATOM   824  C CB    . ASN A 1 107 ? 17.987  51.877 26.963 1.00 50.72  ? 105 ASN A CB    1 
ATOM   825  C CG    . ASN A 1 107 ? 18.362  51.594 28.366 1.00 48.65  ? 105 ASN A CG    1 
ATOM   826  O OD1   . ASN A 1 107 ? 18.233  52.466 29.224 1.00 52.26  ? 105 ASN A OD1   1 
ATOM   827  N ND2   . ASN A 1 107 ? 18.861  50.383 28.623 1.00 46.60  ? 105 ASN A ND2   1 
ATOM   828  N N     . THR A 1 108 ? 20.076  54.945 27.008 1.00 56.22  ? 106 THR A N     1 
ATOM   829  C CA    . THR A 1 108 ? 21.405  55.452 27.336 1.00 59.28  ? 106 THR A CA    1 
ATOM   830  C C     . THR A 1 108 ? 21.245  56.505 28.450 1.00 61.39  ? 106 THR A C     1 
ATOM   831  O O     . THR A 1 108 ? 20.107  56.950 28.733 1.00 62.08  ? 106 THR A O     1 
ATOM   832  C CB    . THR A 1 108 ? 22.103  56.028 26.087 1.00 59.39  ? 106 THR A CB    1 
ATOM   833  O OG1   . THR A 1 108 ? 21.396  57.174 25.629 1.00 61.19  ? 106 THR A OG1   1 
ATOM   834  C CG2   . THR A 1 108 ? 22.166  55.001 24.913 1.00 56.18  ? 106 THR A CG2   1 
ATOM   835  N N     . SER A 1 109 ? 22.369  56.868 29.132 1.00 61.70  ? 107 SER A N     1 
ATOM   836  C CA    . SER A 1 109 ? 22.325  57.960 30.129 1.00 64.77  ? 107 SER A CA    1 
ATOM   837  C C     . SER A 1 109 ? 21.698  59.207 29.565 1.00 68.35  ? 107 SER A C     1 
ATOM   838  O O     . SER A 1 109 ? 20.782  59.796 30.160 1.00 71.19  ? 107 SER A O     1 
ATOM   839  C CB    . SER A 1 109 ? 23.743  58.337 30.598 1.00 61.55  ? 107 SER A CB    1 
ATOM   840  O OG    . SER A 1 109 ? 24.717  57.269 30.510 1.00 62.22  ? 107 SER A OG    1 
ATOM   841  N N     . LYS A 1 110 ? 22.097  59.503 28.356 1.00 72.21  ? 108 LYS A N     1 
ATOM   842  C CA    . LYS A 1 110 ? 21.541  60.566 27.551 1.00 72.50  ? 108 LYS A CA    1 
ATOM   843  C C     . LYS A 1 110 ? 20.026  60.420 27.410 1.00 70.08  ? 108 LYS A C     1 
ATOM   844  O O     . LYS A 1 110 ? 19.249  61.320 27.781 1.00 70.42  ? 108 LYS A O     1 
ATOM   845  C CB    . LYS A 1 110 ? 22.246  60.456 26.182 1.00 73.16  ? 108 LYS A CB    1 
ATOM   846  C CG    . LYS A 1 110 ? 22.255  61.580 25.227 1.00 76.47  ? 108 LYS A CG    1 
ATOM   847  C CD    . LYS A 1 110 ? 22.465  62.954 25.831 1.00 79.52  ? 108 LYS A CD    1 
ATOM   848  C CE    . LYS A 1 110 ? 22.110  63.990 24.739 1.00 84.07  ? 108 LYS A CE    1 
ATOM   849  N NZ    . LYS A 1 110 ? 23.123  64.157 23.613 1.00 88.95  ? 108 LYS A NZ    1 
ATOM   850  N N     . PHE A 1 111 ? 19.592  59.220 27.016 1.00 66.00  ? 109 PHE A N     1 
ATOM   851  C CA    . PHE A 1 111 ? 18.209  58.951 26.659 1.00 63.93  ? 109 PHE A CA    1 
ATOM   852  C C     . PHE A 1 111 ? 17.701  57.827 27.551 1.00 61.10  ? 109 PHE A C     1 
ATOM   853  O O     . PHE A 1 111 ? 17.743  56.642 27.175 1.00 55.02  ? 109 PHE A O     1 
ATOM   854  C CB    . PHE A 1 111 ? 18.107  58.621 25.177 1.00 63.66  ? 109 PHE A CB    1 
ATOM   855  C CG    . PHE A 1 111 ? 18.718  59.670 24.288 1.00 64.50  ? 109 PHE A CG    1 
ATOM   856  C CD1   . PHE A 1 111 ? 18.464  61.020 24.494 1.00 65.95  ? 109 PHE A CD1   1 
ATOM   857  C CD2   . PHE A 1 111 ? 19.521  59.305 23.226 1.00 65.65  ? 109 PHE A CD2   1 
ATOM   858  C CE1   . PHE A 1 111 ? 19.020  61.988 23.664 1.00 65.79  ? 109 PHE A CE1   1 
ATOM   859  C CE2   . PHE A 1 111 ? 20.067  60.263 22.393 1.00 69.04  ? 109 PHE A CE2   1 
ATOM   860  C CZ    . PHE A 1 111 ? 19.819  61.600 22.608 1.00 70.49  ? 109 PHE A CZ    1 
ATOM   861  N N     . PRO A 1 112 ? 17.248  58.162 28.770 1.00 62.70  ? 110 PRO A N     1 
ATOM   862  C CA    . PRO A 1 112 ? 16.821  57.125 29.714 1.00 57.88  ? 110 PRO A CA    1 
ATOM   863  C C     . PRO A 1 112 ? 15.372  56.749 29.483 1.00 51.15  ? 110 PRO A C     1 
ATOM   864  O O     . PRO A 1 112 ? 14.496  57.624 29.431 1.00 48.30  ? 110 PRO A O     1 
ATOM   865  C CB    . PRO A 1 112 ? 17.027  57.786 31.079 1.00 54.62  ? 110 PRO A CB    1 
ATOM   866  C CG    . PRO A 1 112 ? 16.891  59.270 30.801 1.00 57.47  ? 110 PRO A CG    1 
ATOM   867  C CD    . PRO A 1 112 ? 17.061  59.518 29.322 1.00 59.69  ? 110 PRO A CD    1 
ATOM   868  N N     . ASN A 1 113 ? 15.135  55.457 29.252 1.00 48.53  ? 111 ASN A N     1 
ATOM   869  C CA    . ASN A 1 113 ? 13.780  54.942 29.106 1.00 48.09  ? 111 ASN A CA    1 
ATOM   870  C C     . ASN A 1 113 ? 13.028  55.730 28.042 1.00 46.37  ? 111 ASN A C     1 
ATOM   871  O O     . ASN A 1 113 ? 11.910  56.196 28.273 1.00 46.73  ? 111 ASN A O     1 
ATOM   872  C CB    . ASN A 1 113 ? 13.025  54.980 30.439 1.00 44.98  ? 111 ASN A CB    1 
ATOM   873  C CG    . ASN A 1 113 ? 13.394  53.834 31.338 1.00 43.87  ? 111 ASN A CG    1 
ATOM   874  O OD1   . ASN A 1 113 ? 13.308  52.666 30.944 1.00 43.67  ? 111 ASN A OD1   1 
ATOM   875  N ND2   . ASN A 1 113 ? 13.821  54.154 32.560 1.00 45.99  ? 111 ASN A ND2   1 
ATOM   876  N N     . MET A 1 114 ? 13.664  55.942 26.893 1.00 46.94  ? 112 MET A N     1 
ATOM   877  C CA    . MET A 1 114 ? 13.055  56.776 25.865 1.00 47.40  ? 112 MET A CA    1 
ATOM   878  C C     . MET A 1 114 ? 12.220  55.896 24.945 1.00 45.96  ? 112 MET A C     1 
ATOM   879  O O     . MET A 1 114 ? 12.733  54.957 24.333 1.00 45.12  ? 112 MET A O     1 
ATOM   880  C CB    . MET A 1 114 ? 14.096  57.545 25.055 1.00 48.74  ? 112 MET A CB    1 
ATOM   881  C CG    . MET A 1 114 ? 13.752  59.028 24.866 1.00 49.14  ? 112 MET A CG    1 
ATOM   882  S SD    . MET A 1 114 ? 14.887  59.874 23.725 1.00 55.65  ? 112 MET A SD    1 
ATOM   883  C CE    . MET A 1 114 ? 14.217  61.541 23.658 1.00 46.09  ? 112 MET A CE    1 
ATOM   884  N N     . TYR A 1 115 ? 10.938  56.202 24.846 1.00 44.33  ? 113 TYR A N     1 
ATOM   885  C CA    . TYR A 1 115 ? 10.074  55.550 23.886 1.00 44.97  ? 113 TYR A CA    1 
ATOM   886  C C     . TYR A 1 115 ? 9.529   56.670 23.028 1.00 46.77  ? 113 TYR A C     1 
ATOM   887  O O     . TYR A 1 115 ? 8.962   57.638 23.549 1.00 47.19  ? 113 TYR A O     1 
ATOM   888  C CB    . TYR A 1 115 ? 8.965   54.756 24.557 1.00 44.32  ? 113 TYR A CB    1 
ATOM   889  C CG    . TYR A 1 115 ? 9.500   53.736 25.501 1.00 43.74  ? 113 TYR A CG    1 
ATOM   890  C CD1   . TYR A 1 115 ? 9.875   54.086 26.787 1.00 43.36  ? 113 TYR A CD1   1 
ATOM   891  C CD2   . TYR A 1 115 ? 9.641   52.419 25.109 1.00 43.60  ? 113 TYR A CD2   1 
ATOM   892  C CE1   . TYR A 1 115 ? 10.378  53.143 27.666 1.00 42.30  ? 113 TYR A CE1   1 
ATOM   893  C CE2   . TYR A 1 115 ? 10.138  51.466 25.983 1.00 43.46  ? 113 TYR A CE2   1 
ATOM   894  C CZ    . TYR A 1 115 ? 10.504  51.835 27.260 1.00 41.91  ? 113 TYR A CZ    1 
ATOM   895  O OH    . TYR A 1 115 ? 10.994  50.893 28.127 1.00 40.62  ? 113 TYR A OH    1 
ATOM   896  N N     . ILE A 1 116 ? 9.741   56.556 21.725 1.00 49.14  ? 114 ILE A N     1 
ATOM   897  C CA    . ILE A 1 116 ? 9.601   57.690 20.819 1.00 49.80  ? 114 ILE A CA    1 
ATOM   898  C C     . ILE A 1 116 ? 8.734   57.247 19.640 1.00 47.41  ? 114 ILE A C     1 
ATOM   899  O O     . ILE A 1 116 ? 9.016   56.222 19.019 1.00 45.75  ? 114 ILE A O     1 
ATOM   900  C CB    . ILE A 1 116 ? 10.973  58.217 20.384 1.00 49.19  ? 114 ILE A CB    1 
ATOM   901  C CG1   . ILE A 1 116 ? 10.928  59.672 19.935 1.00 60.23  ? 114 ILE A CG1   1 
ATOM   902  C CG2   . ILE A 1 116 ? 11.669  57.344 19.388 1.00 45.88  ? 114 ILE A CG2   1 
ATOM   903  C CD1   . ILE A 1 116 ? 12.299  60.308 20.072 1.00 66.56  ? 114 ILE A CD1   1 
ATOM   904  N N     . PRO A 1 117 ? 7.598   57.905 19.398 1.00 47.85  ? 115 PRO A N     1 
ATOM   905  C CA    . PRO A 1 117 ? 6.666   57.477 18.346 1.00 48.58  ? 115 PRO A CA    1 
ATOM   906  C C     . PRO A 1 117 ? 7.166   57.940 16.984 1.00 49.67  ? 115 PRO A C     1 
ATOM   907  O O     . PRO A 1 117 ? 7.143   59.127 16.682 1.00 53.00  ? 115 PRO A O     1 
ATOM   908  C CB    . PRO A 1 117 ? 5.368   58.196 18.734 1.00 50.22  ? 115 PRO A CB    1 
ATOM   909  C CG    . PRO A 1 117 ? 5.862   59.498 19.339 1.00 50.79  ? 115 PRO A CG    1 
ATOM   910  C CD    . PRO A 1 117 ? 7.175   59.166 20.033 1.00 49.12  ? 115 PRO A CD    1 
ATOM   911  N N     . VAL A 1 118 ? 7.597   56.984 16.160 1.00 54.37  ? 116 VAL A N     1 
ATOM   912  C CA    . VAL A 1 118 ? 8.149   57.396 14.869 1.00 57.36  ? 116 VAL A CA    1 
ATOM   913  C C     . VAL A 1 118 ? 7.042   57.598 13.832 1.00 58.80  ? 116 VAL A C     1 
ATOM   914  O O     . VAL A 1 118 ? 7.008   58.620 13.136 1.00 63.17  ? 116 VAL A O     1 
ATOM   915  C CB    . VAL A 1 118 ? 9.201   56.374 14.400 1.00 54.35  ? 116 VAL A CB    1 
ATOM   916  C CG1   . VAL A 1 118 ? 10.454  56.477 15.253 1.00 52.38  ? 116 VAL A CG1   1 
ATOM   917  C CG2   . VAL A 1 118 ? 8.654   54.965 14.430 1.00 52.28  ? 116 VAL A CG2   1 
ATOM   918  N N     . GLY A 1 119 ? 6.067   56.699 13.781 1.00 54.47  ? 117 GLY A N     1 
ATOM   919  C CA    . GLY A 1 119 ? 5.046   56.785 12.765 1.00 56.10  ? 117 GLY A CA    1 
ATOM   920  C C     . GLY A 1 119 ? 5.283   55.724 11.708 1.00 62.58  ? 117 GLY A C     1 
ATOM   921  O O     . GLY A 1 119 ? 5.731   54.622 12.052 1.00 60.94  ? 117 GLY A O     1 
ATOM   922  N N     . GLN A 1 120 ? 5.029   56.039 10.428 1.00 63.93  ? 118 GLN A N     1 
ATOM   923  C CA    . GLN A 1 120 ? 5.079   55.021 9.389  1.00 59.22  ? 118 GLN A CA    1 
ATOM   924  C C     . GLN A 1 120 ? 6.515   54.582 9.165  1.00 57.68  ? 118 GLN A C     1 
ATOM   925  O O     . GLN A 1 120 ? 7.430   55.411 9.103  1.00 57.10  ? 118 GLN A O     1 
ATOM   926  C CB    . GLN A 1 120 ? 4.463   55.545 8.088  1.00 60.87  ? 118 GLN A CB    1 
ATOM   927  C CG    . GLN A 1 120 ? 4.007   54.444 7.103  1.00 58.85  ? 118 GLN A CG    1 
ATOM   928  C CD    . GLN A 1 120 ? 2.561   54.626 6.603  1.00 63.10  ? 118 GLN A CD    1 
ATOM   929  O OE1   . GLN A 1 120 ? 2.049   55.756 6.465  1.00 60.46  ? 118 GLN A OE1   1 
ATOM   930  N NE2   . GLN A 1 120 ? 1.890   53.498 6.337  1.00 63.82  ? 118 GLN A NE2   1 
ATOM   931  N N     . VAL A 1 121 ? 6.709   53.269 9.081  1.00 58.10  ? 119 VAL A N     1 
ATOM   932  C CA    . VAL A 1 121 ? 7.995   52.668 8.757  1.00 59.59  ? 119 VAL A CA    1 
ATOM   933  C C     . VAL A 1 121 ? 7.839   52.004 7.397  1.00 57.58  ? 119 VAL A C     1 
ATOM   934  O O     . VAL A 1 121 ? 6.953   51.159 7.213  1.00 57.23  ? 119 VAL A O     1 
ATOM   935  C CB    . VAL A 1 121 ? 8.435   51.671 9.844  1.00 57.97  ? 119 VAL A CB    1 
ATOM   936  C CG1   . VAL A 1 121 ? 8.896   50.335 9.262  1.00 56.12  ? 119 VAL A CG1   1 
ATOM   937  C CG2   . VAL A 1 121 ? 9.527   52.286 10.694 1.00 55.54  ? 119 VAL A CG2   1 
ATOM   938  N N     . THR A 1 122 ? 8.680   52.393 6.437  1.00 51.72  ? 120 THR A N     1 
ATOM   939  C CA    . THR A 1 122 ? 8.596   51.876 5.079  1.00 53.89  ? 120 THR A CA    1 
ATOM   940  C C     . THR A 1 122 ? 9.920   51.253 4.692  1.00 51.29  ? 120 THR A C     1 
ATOM   941  O O     . THR A 1 122 ? 10.973  51.791 5.040  1.00 50.96  ? 120 THR A O     1 
ATOM   942  C CB    . THR A 1 122 ? 8.269   52.970 4.050  1.00 57.90  ? 120 THR A CB    1 
ATOM   943  O OG1   . THR A 1 122 ? 9.330   53.950 4.015  1.00 50.49  ? 120 THR A OG1   1 
ATOM   944  C CG2   . THR A 1 122 ? 6.894   53.629 4.389  1.00 59.47  ? 120 THR A CG2   1 
ATOM   945  N N     . GLU A 1 123 ? 9.877   50.136 3.950  1.00 53.14  ? 121 GLU A N     1 
ATOM   946  C CA    . GLU A 1 123 ? 11.110  49.600 3.382  1.00 47.99  ? 121 GLU A CA    1 
ATOM   947  C C     . GLU A 1 123 ? 11.818  50.698 2.615  1.00 45.18  ? 121 GLU A C     1 
ATOM   948  O O     . GLU A 1 123 ? 11.207  51.680 2.192  1.00 46.87  ? 121 GLU A O     1 
ATOM   949  C CB    . GLU A 1 123 ? 10.863  48.407 2.461  1.00 47.29  ? 121 GLU A CB    1 
ATOM   950  C CG    . GLU A 1 123 ? 9.836   47.383 2.945  1.00 52.70  ? 121 GLU A CG    1 
ATOM   951  C CD    . GLU A 1 123 ? 10.067  45.985 2.330  1.00 55.52  ? 121 GLU A CD    1 
ATOM   952  O OE1   . GLU A 1 123 ? 10.851  45.884 1.336  1.00 53.51  ? 121 GLU A OE1   1 
ATOM   953  O OE2   . GLU A 1 123 ? 9.412   45.007 2.796  1.00 52.33  ? 121 GLU A OE2   1 
ATOM   954  N N     . TYR A 1 124 ? 13.119  50.575 2.526  1.00 44.83  ? 122 TYR A N     1 
ATOM   955  C CA    . TYR A 1 124 ? 13.934  51.572 1.840  1.00 49.15  ? 122 TYR A CA    1 
ATOM   956  C C     . TYR A 1 124 ? 15.098  50.976 1.069  1.00 51.41  ? 122 TYR A C     1 
ATOM   957  O O     . TYR A 1 124 ? 15.430  51.492 -0.003 1.00 50.12  ? 122 TYR A O     1 
ATOM   958  C CB    . TYR A 1 124 ? 14.476  52.562 2.860  1.00 47.24  ? 122 TYR A CB    1 
ATOM   959  C CG    . TYR A 1 124 ? 14.894  53.925 2.389  1.00 46.19  ? 122 TYR A CG    1 
ATOM   960  C CD1   . TYR A 1 124 ? 14.015  54.986 2.434  1.00 46.62  ? 122 TYR A CD1   1 
ATOM   961  C CD2   . TYR A 1 124 ? 16.197  54.174 2.011  1.00 49.44  ? 122 TYR A CD2   1 
ATOM   962  C CE1   . TYR A 1 124 ? 14.393  56.251 2.067  1.00 45.31  ? 122 TYR A CE1   1 
ATOM   963  C CE2   . TYR A 1 124 ? 16.594  55.444 1.635  1.00 51.63  ? 122 TYR A CE2   1 
ATOM   964  C CZ    . TYR A 1 124 ? 15.679  56.482 1.669  1.00 49.71  ? 122 TYR A CZ    1 
ATOM   965  O OH    . TYR A 1 124 ? 16.059  57.753 1.294  1.00 51.49  ? 122 TYR A OH    1 
ATOM   966  N N     . GLY A 1 125 ? 15.703  49.893 1.556  1.00 49.85  ? 123 GLY A N     1 
ATOM   967  C CA    . GLY A 1 125 ? 16.770  49.229 0.834  1.00 49.05  ? 123 GLY A CA    1 
ATOM   968  C C     . GLY A 1 125 ? 18.091  49.979 0.898  1.00 52.51  ? 123 GLY A C     1 
ATOM   969  O O     . GLY A 1 125 ? 18.642  50.209 1.993  1.00 51.45  ? 123 GLY A O     1 
ATOM   970  N N     . PHE A 1 126 ? 18.582  50.374 -0.285 1.00 50.66  ? 124 PHE A N     1 
ATOM   971  C CA    . PHE A 1 126 ? 19.920  50.936 -0.446 1.00 52.13  ? 124 PHE A CA    1 
ATOM   972  C C     . PHE A 1 126 ? 20.018  52.353 0.114  1.00 52.62  ? 124 PHE A C     1 
ATOM   973  O O     . PHE A 1 126 ? 19.101  53.163 -0.031 1.00 53.93  ? 124 PHE A O     1 
ATOM   974  C CB    . PHE A 1 126 ? 20.276  50.934 -1.936 1.00 54.65  ? 124 PHE A CB    1 
ATOM   975  C CG    . PHE A 1 126 ? 21.734  51.222 -2.247 1.00 52.08  ? 124 PHE A CG    1 
ATOM   976  C CD1   . PHE A 1 126 ? 22.205  52.530 -2.324 1.00 50.80  ? 124 PHE A CD1   1 
ATOM   977  C CD2   . PHE A 1 126 ? 22.615  50.186 -2.523 1.00 50.59  ? 124 PHE A CD2   1 
ATOM   978  C CE1   . PHE A 1 126 ? 23.531  52.795 -2.623 1.00 51.28  ? 124 PHE A CE1   1 
ATOM   979  C CE2   . PHE A 1 126 ? 23.938  50.451 -2.837 1.00 51.07  ? 124 PHE A CE2   1 
ATOM   980  C CZ    . PHE A 1 126 ? 24.394  51.756 -2.880 1.00 51.41  ? 124 PHE A CZ    1 
ATOM   981  N N     . LEU A 1 127 ? 21.168  52.664 0.704  1.00 54.55  ? 125 LEU A N     1 
ATOM   982  C CA    . LEU A 1 127 ? 21.462  53.995 1.211  1.00 55.95  ? 125 LEU A CA    1 
ATOM   983  C C     . LEU A 1 127 ? 22.977  54.148 1.316  1.00 59.81  ? 125 LEU A C     1 
ATOM   984  O O     . LEU A 1 127 ? 23.679  53.202 1.673  1.00 61.54  ? 125 LEU A O     1 
ATOM   985  C CB    . LEU A 1 127 ? 20.796  54.231 2.573  1.00 57.24  ? 125 LEU A CB    1 
ATOM   986  C CG    . LEU A 1 127 ? 21.164  55.509 3.343  1.00 57.65  ? 125 LEU A CG    1 
ATOM   987  C CD1   . LEU A 1 127 ? 20.917  56.766 2.503  1.00 58.98  ? 125 LEU A CD1   1 
ATOM   988  C CD2   . LEU A 1 127 ? 20.423  55.573 4.668  1.00 51.18  ? 125 LEU A CD2   1 
ATOM   989  N N     . ASN A 1 128 ? 23.478  55.329 0.955  1.00 60.76  ? 126 ASN A N     1 
ATOM   990  C CA    . ASN A 1 128 ? 24.904  55.632 1.028  1.00 61.60  ? 126 ASN A CA    1 
ATOM   991  C C     . ASN A 1 128 ? 25.098  56.343 2.351  1.00 63.94  ? 126 ASN A C     1 
ATOM   992  O O     . ASN A 1 128 ? 25.094  57.573 2.427  1.00 64.71  ? 126 ASN A O     1 
ATOM   993  C CB    . ASN A 1 128 ? 25.366  56.495 -0.139 1.00 67.08  ? 126 ASN A CB    1 
ATOM   994  C CG    . ASN A 1 128 ? 26.767  56.133 -0.604 1.00 72.66  ? 126 ASN A CG    1 
ATOM   995  O OD1   . ASN A 1 128 ? 27.056  54.968 -0.898 1.00 74.14  ? 126 ASN A OD1   1 
ATOM   996  N ND2   . ASN A 1 128 ? 27.663  57.122 -0.622 1.00 72.37  ? 126 ASN A ND2   1 
ATOM   997  N N     . LEU A 1 129 ? 25.332  55.546 3.384  1.00 66.45  ? 127 LEU A N     1 
ATOM   998  C CA    . LEU A 1 129 ? 25.252  55.980 4.769  1.00 63.16  ? 127 LEU A CA    1 
ATOM   999  C C     . LEU A 1 129 ? 26.634  56.446 5.197  1.00 62.70  ? 127 LEU A C     1 
ATOM   1000 O O     . LEU A 1 129 ? 27.540  55.628 5.396  1.00 61.77  ? 127 LEU A O     1 
ATOM   1001 C CB    . LEU A 1 129 ? 24.717  54.835 5.620  1.00 60.37  ? 127 LEU A CB    1 
ATOM   1002 C CG    . LEU A 1 129 ? 24.936  54.857 7.118  1.00 62.70  ? 127 LEU A CG    1 
ATOM   1003 C CD1   . LEU A 1 129 ? 23.860  55.704 7.772  1.00 60.10  ? 127 LEU A CD1   1 
ATOM   1004 C CD2   . LEU A 1 129 ? 24.854  53.433 7.593  1.00 61.39  ? 127 LEU A CD2   1 
ATOM   1005 N N     . GLY A 1 130 ? 26.797  57.761 5.289  1.00 59.15  ? 128 GLY A N     1 
ATOM   1006 C CA    . GLY A 1 130 ? 28.113  58.322 5.557  1.00 61.51  ? 128 GLY A CA    1 
ATOM   1007 C C     . GLY A 1 130 ? 29.188  57.739 4.670  1.00 70.55  ? 128 GLY A C     1 
ATOM   1008 O O     . GLY A 1 130 ? 30.268  57.368 5.151  1.00 73.17  ? 128 GLY A O     1 
ATOM   1009 N N     . GLY A 1 131 ? 28.892  57.619 3.367  1.00 70.16  ? 129 GLY A N     1 
ATOM   1010 C CA    . GLY A 1 131 ? 29.797  57.093 2.363  1.00 69.41  ? 129 GLY A CA    1 
ATOM   1011 C C     . GLY A 1 131 ? 29.744  55.592 2.127  1.00 72.58  ? 129 GLY A C     1 
ATOM   1012 O O     . GLY A 1 131 ? 30.277  55.126 1.110  1.00 75.01  ? 129 GLY A O     1 
ATOM   1013 N N     . THR A 1 132 ? 29.031  54.827 2.960  1.00 77.10  ? 130 THR A N     1 
ATOM   1014 C CA    . THR A 1 132 ? 29.095  53.375 2.819  1.00 77.53  ? 130 THR A CA    1 
ATOM   1015 C C     . THR A 1 132 ? 27.829  52.847 2.164  1.00 79.10  ? 130 THR A C     1 
ATOM   1016 O O     . THR A 1 132 ? 26.719  53.202 2.591  1.00 74.99  ? 130 THR A O     1 
ATOM   1017 C CB    . THR A 1 132 ? 29.274  52.711 4.188  1.00 76.00  ? 130 THR A CB    1 
ATOM   1018 O OG1   . THR A 1 132 ? 30.142  53.512 5.005  1.00 76.58  ? 130 THR A OG1   1 
ATOM   1019 C CG2   . THR A 1 132 ? 29.856  51.305 4.019  1.00 75.98  ? 130 THR A CG2   1 
ATOM   1020 N N     . PRO A 1 133 ? 27.948  51.998 1.140  1.00 86.49  ? 131 PRO A N     1 
ATOM   1021 C CA    . PRO A 1 133 ? 26.746  51.428 0.512  1.00 85.90  ? 131 PRO A CA    1 
ATOM   1022 C C     . PRO A 1 133 ? 26.151  50.364 1.419  1.00 85.53  ? 131 PRO A C     1 
ATOM   1023 O O     . PRO A 1 133 ? 26.763  49.320 1.657  1.00 85.64  ? 131 PRO A O     1 
ATOM   1024 C CB    . PRO A 1 133 ? 27.284  50.827 -0.790 1.00 86.00  ? 131 PRO A CB    1 
ATOM   1025 C CG    . PRO A 1 133 ? 28.695  50.463 -0.456 1.00 86.54  ? 131 PRO A CG    1 
ATOM   1026 C CD    . PRO A 1 133 ? 29.188  51.527 0.495  1.00 86.92  ? 131 PRO A CD    1 
ATOM   1027 N N     . THR A 1 134 ? 24.946  50.620 1.912  1.00 71.71  ? 132 THR A N     1 
ATOM   1028 C CA    . THR A 1 134 ? 24.316  49.743 2.881  1.00 67.28  ? 132 THR A CA    1 
ATOM   1029 C C     . THR A 1 134 ? 22.927  49.376 2.376  1.00 59.49  ? 132 THR A C     1 
ATOM   1030 O O     . THR A 1 134 ? 22.226  50.208 1.789  1.00 57.33  ? 132 THR A O     1 
ATOM   1031 C CB    . THR A 1 134 ? 24.298  50.400 4.305  1.00 62.35  ? 132 THR A CB    1 
ATOM   1032 O OG1   . THR A 1 134 ? 24.083  51.814 4.212  1.00 62.86  ? 132 THR A OG1   1 
ATOM   1033 C CG2   . THR A 1 134 ? 25.610  50.199 5.005  1.00 64.76  ? 132 THR A CG2   1 
ATOM   1034 N N     . LYS A 1 135 ? 22.553  48.115 2.571  1.00 53.77  ? 133 LYS A N     1 
ATOM   1035 C CA    . LYS A 1 135 ? 21.305  47.587 2.063  1.00 50.21  ? 133 LYS A CA    1 
ATOM   1036 C C     . LYS A 1 135 ? 20.387  47.188 3.210  1.00 51.21  ? 133 LYS A C     1 
ATOM   1037 O O     . LYS A 1 135 ? 20.826  47.013 4.343  1.00 56.07  ? 133 LYS A O     1 
ATOM   1038 C CB    . LYS A 1 135 ? 21.561  46.397 1.131  1.00 52.52  ? 133 LYS A CB    1 
ATOM   1039 C CG    . LYS A 1 135 ? 22.095  46.830 -0.247 1.00 59.26  ? 133 LYS A CG    1 
ATOM   1040 C CD    . LYS A 1 135 ? 21.298  46.266 -1.417 1.00 56.46  ? 133 LYS A CD    1 
ATOM   1041 C CE    . LYS A 1 135 ? 21.910  44.975 -1.939 1.00 59.01  ? 133 LYS A CE    1 
ATOM   1042 N NZ    . LYS A 1 135 ? 21.773  44.850 -3.412 1.00 57.93  ? 133 LYS A NZ    1 
ATOM   1043 N N     . ARG A 1 136 ? 19.094  47.084 2.885  1.00 49.54  ? 134 ARG A N     1 
ATOM   1044 C CA    . ARG A 1 136 ? 18.005  46.665 3.764  1.00 49.34  ? 134 ARG A CA    1 
ATOM   1045 C C     . ARG A 1 136 ? 17.688  47.689 4.830  1.00 49.38  ? 134 ARG A C     1 
ATOM   1046 O O     . ARG A 1 136 ? 17.272  47.322 5.916  1.00 49.37  ? 134 ARG A O     1 
ATOM   1047 C CB    . ARG A 1 136 ? 18.253  45.310 4.413  1.00 49.41  ? 134 ARG A CB    1 
ATOM   1048 C CG    . ARG A 1 136 ? 18.562  44.197 3.470  1.00 49.43  ? 134 ARG A CG    1 
ATOM   1049 C CD    . ARG A 1 136 ? 18.527  42.865 4.180  1.00 49.51  ? 134 ARG A CD    1 
ATOM   1050 N NE    . ARG A 1 136 ? 18.564  41.721 3.273  1.00 56.90  ? 134 ARG A NE    1 
ATOM   1051 C CZ    . ARG A 1 136 ? 19.356  40.656 3.407  1.00 58.61  ? 134 ARG A CZ    1 
ATOM   1052 N NH1   . ARG A 1 136 ? 20.246  40.559 4.387  1.00 54.47  ? 134 ARG A NH1   1 
ATOM   1053 N NH2   . ARG A 1 136 ? 19.251  39.656 2.535  1.00 61.67  ? 134 ARG A NH2   1 
ATOM   1054 N N     . MET A 1 137 ? 17.848  48.978 4.561  1.00 44.60  ? 135 MET A N     1 
ATOM   1055 C CA    . MET A 1 137 ? 17.371  49.955 5.540  1.00 45.62  ? 135 MET A CA    1 
ATOM   1056 C C     . MET A 1 137 ? 15.848  50.093 5.495  1.00 46.85  ? 135 MET A C     1 
ATOM   1057 O O     . MET A 1 137 ? 15.208  49.787 4.484  1.00 50.34  ? 135 MET A O     1 
ATOM   1058 C CB    . MET A 1 137 ? 18.013  51.323 5.316  1.00 46.95  ? 135 MET A CB    1 
ATOM   1059 C CG    . MET A 1 137 ? 19.503  51.293 5.001  1.00 49.74  ? 135 MET A CG    1 
ATOM   1060 S SD    . MET A 1 137 ? 20.472  51.134 6.488  1.00 44.00  ? 135 MET A SD    1 
ATOM   1061 C CE    . MET A 1 137 ? 20.718  49.344 6.653  1.00 45.69  ? 135 MET A CE    1 
ATOM   1062 N N     . LEU A 1 138 ? 15.282  50.527 6.622  1.00 44.67  ? 136 LEU A N     1 
ATOM   1063 C CA    . LEU A 1 138 ? 13.916  51.001 6.797  1.00 42.98  ? 136 LEU A CA    1 
ATOM   1064 C C     . LEU A 1 138 ? 14.002  52.478 7.143  1.00 46.64  ? 136 LEU A C     1 
ATOM   1065 O O     . LEU A 1 138 ? 14.993  52.931 7.721  1.00 47.57  ? 136 LEU A O     1 
ATOM   1066 C CB    . LEU A 1 138 ? 13.209  50.286 7.942  1.00 42.35  ? 136 LEU A CB    1 
ATOM   1067 C CG    . LEU A 1 138 ? 12.554  48.936 7.755  1.00 44.69  ? 136 LEU A CG    1 
ATOM   1068 C CD1   . LEU A 1 138 ? 13.464  47.991 7.026  1.00 42.37  ? 136 LEU A CD1   1 
ATOM   1069 C CD2   . LEU A 1 138 ? 12.240  48.388 9.140  1.00 44.14  ? 136 LEU A CD2   1 
ATOM   1070 N N     . MET A 1 139 ? 13.003  53.251 6.753  1.00 49.55  ? 137 MET A N     1 
ATOM   1071 C CA    . MET A 1 139 ? 13.031  54.676 7.048  1.00 53.30  ? 137 MET A CA    1 
ATOM   1072 C C     . MET A 1 139 ? 11.733  55.091 7.699  1.00 57.01  ? 137 MET A C     1 
ATOM   1073 O O     . MET A 1 139 ? 10.648  54.798 7.185  1.00 58.95  ? 137 MET A O     1 
ATOM   1074 C CB    . MET A 1 139 ? 13.249  55.550 5.816  1.00 51.28  ? 137 MET A CB    1 
ATOM   1075 C CG    . MET A 1 139 ? 12.804  56.993 6.061  1.00 54.24  ? 137 MET A CG    1 
ATOM   1076 S SD    . MET A 1 139 ? 12.296  57.862 4.570  1.00 62.64  ? 137 MET A SD    1 
ATOM   1077 C CE    . MET A 1 139 ? 12.121  59.547 5.147  1.00 67.36  ? 137 MET A CE    1 
ATOM   1078 N N     . TYR A 1 140 ? 11.860  55.830 8.790  1.00 59.60  ? 138 TYR A N     1 
ATOM   1079 C CA    . TYR A 1 140 ? 10.755  56.482 9.463  1.00 62.92  ? 138 TYR A CA    1 
ATOM   1080 C C     . TYR A 1 140 ? 11.023  57.983 9.468  1.00 70.99  ? 138 TYR A C     1 
ATOM   1081 O O     . TYR A 1 140 ? 12.144  58.444 9.218  1.00 70.72  ? 138 TYR A O     1 
ATOM   1082 C CB    . TYR A 1 140 ? 10.591  55.940 10.875 1.00 55.68  ? 138 TYR A CB    1 
ATOM   1083 C CG    . TYR A 1 140 ? 11.917  55.562 11.489 1.00 54.91  ? 138 TYR A CG    1 
ATOM   1084 C CD1   . TYR A 1 140 ? 12.635  56.478 12.232 1.00 54.37  ? 138 TYR A CD1   1 
ATOM   1085 C CD2   . TYR A 1 140 ? 12.465  54.295 11.300 1.00 51.69  ? 138 TYR A CD2   1 
ATOM   1086 C CE1   . TYR A 1 140 ? 13.847  56.142 12.786 1.00 52.72  ? 138 TYR A CE1   1 
ATOM   1087 C CE2   . TYR A 1 140 ? 13.681  53.956 11.835 1.00 48.99  ? 138 TYR A CE2   1 
ATOM   1088 C CZ    . TYR A 1 140 ? 14.365  54.882 12.583 1.00 50.09  ? 138 TYR A CZ    1 
ATOM   1089 O OH    . TYR A 1 140 ? 15.575  54.563 13.143 1.00 49.06  ? 138 TYR A OH    1 
ATOM   1090 N N     . ASN A 1 141 ? 9.967   58.744 9.720  1.00 81.65  ? 139 ASN A N     1 
ATOM   1091 C CA    . ASN A 1 141 ? 9.988   60.197 9.571  1.00 92.84  ? 139 ASN A CA    1 
ATOM   1092 C C     . ASN A 1 141 ? 10.118  60.839 10.954 1.00 104.32 ? 139 ASN A C     1 
ATOM   1093 O O     . ASN A 1 141 ? 9.120   61.040 11.649 1.00 99.75  ? 139 ASN A O     1 
ATOM   1094 C CB    . ASN A 1 141 ? 8.719   60.652 8.851  1.00 88.85  ? 139 ASN A CB    1 
ATOM   1095 C CG    . ASN A 1 141 ? 7.457   59.907 9.338  1.00 83.26  ? 139 ASN A CG    1 
ATOM   1096 O OD1   . ASN A 1 141 ? 7.506   58.724 9.704  1.00 76.47  ? 139 ASN A OD1   1 
ATOM   1097 N ND2   . ASN A 1 141 ? 6.321   60.603 9.326  1.00 82.08  ? 139 ASN A ND2   1 
ATOM   1098 N N     . PHE A 1 142 ? 11.346  61.180 11.353 1.00 125.51 ? 140 PHE A N     1 
ATOM   1099 C CA    . PHE A 1 142 ? 11.532  61.856 12.630 1.00 128.42 ? 140 PHE A CA    1 
ATOM   1100 C C     . PHE A 1 142 ? 12.918  62.484 12.699 1.00 127.86 ? 140 PHE A C     1 
ATOM   1101 O O     . PHE A 1 142 ? 13.870  61.940 12.126 1.00 124.69 ? 140 PHE A O     1 
ATOM   1102 C CB    . PHE A 1 142 ? 11.355  60.895 13.809 1.00 128.48 ? 140 PHE A CB    1 
ATOM   1103 C CG    . PHE A 1 142 ? 11.486  61.576 15.127 1.00 131.69 ? 140 PHE A CG    1 
ATOM   1104 C CD1   . PHE A 1 142 ? 10.700  62.680 15.426 1.00 135.91 ? 140 PHE A CD1   1 
ATOM   1105 C CD2   . PHE A 1 142 ? 12.431  61.169 16.040 1.00 130.74 ? 140 PHE A CD2   1 
ATOM   1106 C CE1   . PHE A 1 142 ? 10.832  63.343 16.627 1.00 139.20 ? 140 PHE A CE1   1 
ATOM   1107 C CE2   . PHE A 1 142 ? 12.567  61.833 17.244 1.00 133.81 ? 140 PHE A CE2   1 
ATOM   1108 C CZ    . PHE A 1 142 ? 11.766  62.917 17.541 1.00 138.07 ? 140 PHE A CZ    1 
ATOM   1109 N N     . PRO A 1 143 ? 13.062  63.625 13.375 1.00 118.83 ? 141 PRO A N     1 
ATOM   1110 C CA    . PRO A 1 143 ? 14.406  64.133 13.704 1.00 117.02 ? 141 PRO A CA    1 
ATOM   1111 C C     . PRO A 1 143 ? 15.170  63.217 14.654 1.00 114.39 ? 141 PRO A C     1 
ATOM   1112 O O     . PRO A 1 143 ? 14.750  62.976 15.785 1.00 115.12 ? 141 PRO A O     1 
ATOM   1113 C CB    . PRO A 1 143 ? 14.104  65.482 14.368 1.00 120.88 ? 141 PRO A CB    1 
ATOM   1114 C CG    . PRO A 1 143 ? 12.860  65.956 13.682 1.00 118.80 ? 141 PRO A CG    1 
ATOM   1115 C CD    . PRO A 1 143 ? 12.080  64.722 13.268 1.00 120.79 ? 141 PRO A CD    1 
ATOM   1116 N N     . THR A 1 144 ? 16.350  62.785 14.226 1.00 106.02 ? 142 THR A N     1 
ATOM   1117 C CA    . THR A 1 144 ? 17.215  61.976 15.069 1.00 94.89  ? 142 THR A CA    1 
ATOM   1118 C C     . THR A 1 144 ? 18.482  62.746 15.428 1.00 91.40  ? 142 THR A C     1 
ATOM   1119 O O     . THR A 1 144 ? 18.933  63.625 14.687 1.00 94.36  ? 142 THR A O     1 
ATOM   1120 C CB    . THR A 1 144 ? 17.568  60.640 14.396 1.00 84.14  ? 142 THR A CB    1 
ATOM   1121 O OG1   . THR A 1 144 ? 18.232  60.876 13.148 1.00 79.89  ? 142 THR A OG1   1 
ATOM   1122 C CG2   . THR A 1 144 ? 16.298  59.828 14.161 1.00 81.09  ? 142 THR A CG2   1 
ATOM   1123 N N     . ARG A 1 145 ? 19.037  62.408 16.590 1.00 85.31  ? 143 ARG A N     1 
ATOM   1124 C CA    . ARG A 1 145 ? 20.176  63.112 17.158 1.00 85.81  ? 143 ARG A CA    1 
ATOM   1125 C C     . ARG A 1 145 ? 21.312  62.110 17.342 1.00 84.56  ? 143 ARG A C     1 
ATOM   1126 O O     . ARG A 1 145 ? 21.396  61.125 16.598 1.00 83.20  ? 143 ARG A O     1 
ATOM   1127 C CB    . ARG A 1 145 ? 19.761  63.793 18.475 1.00 86.62  ? 143 ARG A CB    1 
ATOM   1128 C CG    . ARG A 1 145 ? 20.720  64.863 19.052 1.00 86.96  ? 143 ARG A CG    1 
ATOM   1129 C CD    . ARG A 1 145 ? 20.038  66.230 19.159 1.00 88.10  ? 143 ARG A CD    1 
ATOM   1130 N NE    . ARG A 1 145 ? 19.450  66.623 17.879 1.00 91.16  ? 143 ARG A NE    1 
ATOM   1131 C CZ    . ARG A 1 145 ? 18.968  67.829 17.596 1.00 91.66  ? 143 ARG A CZ    1 
ATOM   1132 N NH1   . ARG A 1 145 ? 18.953  68.801 18.500 1.00 88.42  ? 143 ARG A NH1   1 
ATOM   1133 N NH2   . ARG A 1 145 ? 18.490  68.066 16.373 1.00 90.23  ? 143 ARG A NH2   1 
ATOM   1134 N N     . ALA A 1 146 ? 22.186  62.336 18.317 1.00 86.48  ? 144 ALA A N     1 
ATOM   1135 C CA    . ALA A 1 146 ? 23.332  61.470 18.538 1.00 83.96  ? 144 ALA A CA    1 
ATOM   1136 C C     . ALA A 1 146 ? 23.049  60.492 19.670 1.00 83.57  ? 144 ALA A C     1 
ATOM   1137 O O     . ALA A 1 146 ? 22.293  60.794 20.597 1.00 85.93  ? 144 ALA A O     1 
ATOM   1138 C CB    . ALA A 1 146 ? 24.575  62.300 18.870 1.00 86.13  ? 144 ALA A CB    1 
ATOM   1139 N N     . GLY A 1 147 ? 23.665  59.310 19.585 1.00 73.09  ? 145 GLY A N     1 
ATOM   1140 C CA    . GLY A 1 147 ? 23.518  58.317 20.620 1.00 66.72  ? 145 GLY A CA    1 
ATOM   1141 C C     . GLY A 1 147 ? 22.249  57.490 20.580 1.00 65.22  ? 145 GLY A C     1 
ATOM   1142 O O     . GLY A 1 147 ? 22.028  56.695 21.514 1.00 65.62  ? 145 GLY A O     1 
ATOM   1143 N N     . GLN A 1 148 ? 21.370  57.672 19.580 1.00 63.00  ? 146 GLN A N     1 
ATOM   1144 C CA    . GLN A 1 148 ? 20.257  56.738 19.479 1.00 58.37  ? 146 GLN A CA    1 
ATOM   1145 C C     . GLN A 1 148 ? 20.597  55.532 18.637 1.00 51.39  ? 146 GLN A C     1 
ATOM   1146 O O     . GLN A 1 148 ? 19.834  54.565 18.635 1.00 51.24  ? 146 GLN A O     1 
ATOM   1147 C CB    . GLN A 1 148 ? 18.996  57.382 18.909 1.00 59.78  ? 146 GLN A CB    1 
ATOM   1148 C CG    . GLN A 1 148 ? 18.616  58.717 19.475 1.00 65.86  ? 146 GLN A CG    1 
ATOM   1149 C CD    . GLN A 1 148 ? 18.668  59.824 18.440 1.00 78.21  ? 146 GLN A CD    1 
ATOM   1150 O OE1   . GLN A 1 148 ? 19.110  59.624 17.296 1.00 77.72  ? 146 GLN A OE1   1 
ATOM   1151 N NE2   . GLN A 1 148 ? 18.172  60.993 18.821 1.00 80.90  ? 146 GLN A NE2   1 
ATOM   1152 N N     . ALA A 1 149 ? 21.732  55.560 17.958 1.00 51.77  ? 147 ALA A N     1 
ATOM   1153 C CA    . ALA A 1 149 ? 22.217  54.391 17.248 1.00 50.07  ? 147 ALA A CA    1 
ATOM   1154 C C     . ALA A 1 149 ? 22.143  53.204 18.186 1.00 47.26  ? 147 ALA A C     1 
ATOM   1155 O O     . ALA A 1 149 ? 22.532  53.297 19.349 1.00 49.54  ? 147 ALA A O     1 
ATOM   1156 C CB    . ALA A 1 149 ? 23.655  54.619 16.760 1.00 50.00  ? 147 ALA A CB    1 
ATOM   1157 N N     . GLY A 1 150 ? 21.544  52.132 17.721 1.00 46.55  ? 148 GLY A N     1 
ATOM   1158 C CA    . GLY A 1 150 ? 21.254  51.006 18.553 1.00 47.21  ? 148 GLY A CA    1 
ATOM   1159 C C     . GLY A 1 150 ? 19.810  50.946 18.978 1.00 49.22  ? 148 GLY A C     1 
ATOM   1160 O O     . GLY A 1 150 ? 19.328  49.863 19.313 1.00 49.85  ? 148 GLY A O     1 
ATOM   1161 N N     . GLY A 1 151 ? 19.099  52.076 18.913 1.00 50.53  ? 149 GLY A N     1 
ATOM   1162 C CA    . GLY A 1 151 ? 17.703  52.155 19.299 1.00 52.89  ? 149 GLY A CA    1 
ATOM   1163 C C     . GLY A 1 151 ? 16.908  51.029 18.682 1.00 52.42  ? 149 GLY A C     1 
ATOM   1164 O O     . GLY A 1 151 ? 17.280  50.533 17.616 1.00 50.15  ? 149 GLY A O     1 
ATOM   1165 N N     . VAL A 1 152 ? 15.853  50.577 19.357 1.00 46.31  ? 150 VAL A N     1 
ATOM   1166 C CA    . VAL A 1 152 ? 15.085  49.414 18.925 1.00 44.72  ? 150 VAL A CA    1 
ATOM   1167 C C     . VAL A 1 152 ? 13.776  49.882 18.306 1.00 47.84  ? 150 VAL A C     1 
ATOM   1168 O O     . VAL A 1 152 ? 12.989  50.581 18.951 1.00 42.05  ? 150 VAL A O     1 
ATOM   1169 C CB    . VAL A 1 152 ? 14.849  48.437 20.083 1.00 43.94  ? 150 VAL A CB    1 
ATOM   1170 C CG1   . VAL A 1 152 ? 14.154  47.183 19.593 1.00 42.91  ? 150 VAL A CG1   1 
ATOM   1171 C CG2   . VAL A 1 152 ? 16.176  48.080 20.725 1.00 45.03  ? 150 VAL A CG2   1 
ATOM   1172 N N     . LEU A 1 153 ? 13.565  49.531 17.038 1.00 45.03  ? 151 LEU A N     1 
ATOM   1173 C CA    . LEU A 1 153 ? 12.356  49.869 16.296 1.00 44.65  ? 151 LEU A CA    1 
ATOM   1174 C C     . LEU A 1 153 ? 11.319  48.781 16.519 1.00 42.34  ? 151 LEU A C     1 
ATOM   1175 O O     . LEU A 1 153 ? 11.574  47.603 16.238 1.00 41.93  ? 151 LEU A O     1 
ATOM   1176 C CB    . LEU A 1 153 ? 12.661  49.987 14.806 1.00 43.67  ? 151 LEU A CB    1 
ATOM   1177 C CG    . LEU A 1 153 ? 11.750  50.869 13.981 1.00 42.87  ? 151 LEU A CG    1 
ATOM   1178 C CD1   . LEU A 1 153 ? 11.989  52.336 14.274 1.00 43.24  ? 151 LEU A CD1   1 
ATOM   1179 C CD2   . LEU A 1 153 ? 12.028  50.549 12.542 1.00 47.40  ? 151 LEU A CD2   1 
ATOM   1180 N N     . MET A 1 154 ? 10.132  49.178 16.968 1.00 42.10  ? 152 MET A N     1 
ATOM   1181 C CA    . MET A 1 154 ? 9.181   48.202 17.465 1.00 44.32  ? 152 MET A CA    1 
ATOM   1182 C C     . MET A 1 154 ? 7.761   48.560 17.077 1.00 39.53  ? 152 MET A C     1 
ATOM   1183 O O     . MET A 1 154 ? 7.390   49.726 16.933 1.00 39.84  ? 152 MET A O     1 
ATOM   1184 C CB    . MET A 1 154 ? 9.256   48.104 18.995 1.00 42.35  ? 152 MET A CB    1 
ATOM   1185 C CG    . MET A 1 154 ? 10.023  46.913 19.500 1.00 41.66  ? 152 MET A CG    1 
ATOM   1186 S SD    . MET A 1 154 ? 10.366  47.126 21.239 1.00 43.98  ? 152 MET A SD    1 
ATOM   1187 C CE    . MET A 1 154 ? 10.956  48.822 21.275 1.00 40.37  ? 152 MET A CE    1 
ATOM   1188 N N     . SER A 1 155 ? 6.983   47.510 16.931 1.00 46.79  ? 153 SER A N     1 
ATOM   1189 C CA    . SER A 1 155 ? 5.555   47.570 16.766 1.00 44.19  ? 153 SER A CA    1 
ATOM   1190 C C     . SER A 1 155 ? 5.076   46.396 17.583 1.00 45.21  ? 153 SER A C     1 
ATOM   1191 O O     . SER A 1 155 ? 5.816   45.430 17.783 1.00 41.42  ? 153 SER A O     1 
ATOM   1192 C CB    . SER A 1 155 ? 5.157   47.458 15.271 1.00 49.39  ? 153 SER A CB    1 
ATOM   1193 O OG    . SER A 1 155 ? 3.896   48.014 14.933 1.00 51.13  ? 153 SER A OG    1 
ATOM   1194 N N     . THR A 1 156 ? 3.840   46.470 18.036 1.00 45.84  ? 154 THR A N     1 
ATOM   1195 C CA    . THR A 1 156 ? 3.322   45.442 18.923 1.00 45.87  ? 154 THR A CA    1 
ATOM   1196 C C     . THR A 1 156 ? 3.562   44.039 18.384 1.00 47.17  ? 154 THR A C     1 
ATOM   1197 O O     . THR A 1 156 ? 3.108   43.697 17.289 1.00 53.61  ? 154 THR A O     1 
ATOM   1198 C CB    . THR A 1 156 ? 1.845   45.667 19.119 1.00 47.70  ? 154 THR A CB    1 
ATOM   1199 O OG1   . THR A 1 156 ? 1.684   46.868 19.879 1.00 48.25  ? 154 THR A OG1   1 
ATOM   1200 C CG2   . THR A 1 156 ? 1.293   44.482 19.842 1.00 48.40  ? 154 THR A CG2   1 
ATOM   1201 N N     . GLY A 1 157 ? 4.283   43.227 19.150 1.00 45.68  ? 155 GLY A N     1 
ATOM   1202 C CA    . GLY A 1 157 ? 4.603   41.878 18.736 1.00 45.74  ? 155 GLY A CA    1 
ATOM   1203 C C     . GLY A 1 157 ? 5.642   41.777 17.646 1.00 44.90  ? 155 GLY A C     1 
ATOM   1204 O O     . GLY A 1 157 ? 5.971   40.655 17.231 1.00 45.57  ? 155 GLY A O     1 
ATOM   1205 N N     . LYS A 1 158 ? 6.194   42.899 17.178 1.00 42.61  ? 156 LYS A N     1 
ATOM   1206 C CA    . LYS A 1 158 ? 7.202   42.850 16.121 1.00 44.38  ? 156 LYS A CA    1 
ATOM   1207 C C     . LYS A 1 158 ? 8.360   43.801 16.416 1.00 41.70  ? 156 LYS A C     1 
ATOM   1208 O O     . LYS A 1 158 ? 8.159   44.993 16.688 1.00 40.22  ? 156 LYS A O     1 
ATOM   1209 C CB    . LYS A 1 158 ? 6.606   43.123 14.712 1.00 43.89  ? 156 LYS A CB    1 
ATOM   1210 C CG    . LYS A 1 158 ? 5.533   44.219 14.556 1.00 43.02  ? 156 LYS A CG    1 
ATOM   1211 C CD    . LYS A 1 158 ? 4.328   43.784 13.704 1.00 42.80  ? 156 LYS A CD    1 
ATOM   1212 C CE    . LYS A 1 158 ? 4.592   42.494 12.918 1.00 43.01  ? 156 LYS A CE    1 
ATOM   1213 N NZ    . LYS A 1 158 ? 3.608   41.396 13.250 1.00 40.74  ? 156 LYS A NZ    1 
ATOM   1214 N N     . VAL A 1 159 ? 9.565   43.243 16.417 1.00 41.14  ? 157 VAL A N     1 
ATOM   1215 C CA    . VAL A 1 159 ? 10.791  44.025 16.307 1.00 45.41  ? 157 VAL A CA    1 
ATOM   1216 C C     . VAL A 1 159 ? 11.118  44.201 14.825 1.00 44.27  ? 157 VAL A C     1 
ATOM   1217 O O     . VAL A 1 159 ? 11.351  43.216 14.110 1.00 41.95  ? 157 VAL A O     1 
ATOM   1218 C CB    . VAL A 1 159 ? 11.955  43.348 17.046 1.00 45.84  ? 157 VAL A CB    1 
ATOM   1219 C CG1   . VAL A 1 159 ? 12.717  44.365 17.918 1.00 41.74  ? 157 VAL A CG1   1 
ATOM   1220 C CG2   . VAL A 1 159 ? 11.438  42.164 17.856 1.00 45.55  ? 157 VAL A CG2   1 
ATOM   1221 N N     . LEU A 1 160 ? 11.199  45.458 14.378 1.00 44.90  ? 158 LEU A N     1 
ATOM   1222 C CA    . LEU A 1 160 ? 11.383  45.751 12.963 1.00 47.20  ? 158 LEU A CA    1 
ATOM   1223 C C     . LEU A 1 160 ? 12.829  46.024 12.594 1.00 47.88  ? 158 LEU A C     1 
ATOM   1224 O O     . LEU A 1 160 ? 13.254  45.666 11.486 1.00 49.86  ? 158 LEU A O     1 
ATOM   1225 C CB    . LEU A 1 160 ? 10.532  46.961 12.536 1.00 47.10  ? 158 LEU A CB    1 
ATOM   1226 C CG    . LEU A 1 160 ? 9.096   47.155 13.042 1.00 42.44  ? 158 LEU A CG    1 
ATOM   1227 C CD1   . LEU A 1 160 ? 8.584   48.542 12.682 1.00 42.61  ? 158 LEU A CD1   1 
ATOM   1228 C CD2   . LEU A 1 160 ? 8.180   46.053 12.556 1.00 38.50  ? 158 LEU A CD2   1 
ATOM   1229 N N     . GLY A 1 161 ? 13.601  46.630 13.486 1.00 42.82  ? 159 GLY A N     1 
ATOM   1230 C CA    . GLY A 1 161 ? 14.989  46.900 13.165 1.00 44.47  ? 159 GLY A CA    1 
ATOM   1231 C C     . GLY A 1 161 ? 15.694  47.604 14.300 1.00 41.20  ? 159 GLY A C     1 
ATOM   1232 O O     . GLY A 1 161 ? 15.165  47.745 15.404 1.00 47.15  ? 159 GLY A O     1 
ATOM   1233 N N     . ILE A 1 162 ? 16.910  48.036 14.006 1.00 41.92  ? 160 ILE A N     1 
ATOM   1234 C CA    . ILE A 1 162 ? 17.750  48.745 14.956 1.00 42.62  ? 160 ILE A CA    1 
ATOM   1235 C C     . ILE A 1 162 ? 18.197  50.047 14.320 1.00 39.30  ? 160 ILE A C     1 
ATOM   1236 O O     . ILE A 1 162 ? 18.770  50.032 13.232 1.00 42.96  ? 160 ILE A O     1 
ATOM   1237 C CB    . ILE A 1 162 ? 18.949  47.889 15.382 1.00 44.49  ? 160 ILE A CB    1 
ATOM   1238 C CG1   . ILE A 1 162 ? 18.521  46.958 16.529 1.00 45.57  ? 160 ILE A CG1   1 
ATOM   1239 C CG2   . ILE A 1 162 ? 20.140  48.757 15.729 1.00 43.68  ? 160 ILE A CG2   1 
ATOM   1240 C CD1   . ILE A 1 162 ? 19.401  45.742 16.693 1.00 47.04  ? 160 ILE A CD1   1 
ATOM   1241 N N     . HIS A 1 163 ? 17.914  51.165 14.975 1.00 49.81  ? 161 HIS A N     1 
ATOM   1242 C CA    . HIS A 1 163 ? 18.288  52.469 14.450 1.00 40.15  ? 161 HIS A CA    1 
ATOM   1243 C C     . HIS A 1 163 ? 19.795  52.549 14.244 1.00 81.39  ? 161 HIS A C     1 
ATOM   1244 O O     . HIS A 1 163 ? 20.561  52.139 15.112 1.00 42.82  ? 161 HIS A O     1 
ATOM   1245 C CB    . HIS A 1 163 ? 17.816  53.534 15.420 1.00 45.03  ? 161 HIS A CB    1 
ATOM   1246 C CG    . HIS A 1 163 ? 18.104  54.924 14.983 1.00 47.62  ? 161 HIS A CG    1 
ATOM   1247 N ND1   . HIS A 1 163 ? 17.145  55.739 14.427 1.00 53.24  ? 161 HIS A ND1   1 
ATOM   1248 C CD2   . HIS A 1 163 ? 19.234  55.660 15.041 1.00 51.12  ? 161 HIS A CD2   1 
ATOM   1249 C CE1   . HIS A 1 163 ? 17.676  56.914 14.145 1.00 56.56  ? 161 HIS A CE1   1 
ATOM   1250 N NE2   . HIS A 1 163 ? 18.943  56.895 14.514 1.00 56.44  ? 161 HIS A NE2   1 
ATOM   1251 N N     . VAL A 1 164 ? 20.235  53.026 13.073 1.00 45.20  ? 162 VAL A N     1 
ATOM   1252 C CA    . VAL A 1 164 ? 21.661  53.098 12.750 1.00 46.59  ? 162 VAL A CA    1 
ATOM   1253 C C     . VAL A 1 164 ? 22.083  54.451 12.198 1.00 47.32  ? 162 VAL A C     1 
ATOM   1254 O O     . VAL A 1 164 ? 23.256  54.632 11.880 1.00 49.05  ? 162 VAL A O     1 
ATOM   1255 C CB    . VAL A 1 164 ? 22.108  51.991 11.766 1.00 46.22  ? 162 VAL A CB    1 
ATOM   1256 C CG1   . VAL A 1 164 ? 21.620  50.607 12.167 1.00 44.80  ? 162 VAL A CG1   1 
ATOM   1257 C CG2   . VAL A 1 164 ? 21.661  52.336 10.381 1.00 48.80  ? 162 VAL A CG2   1 
ATOM   1258 N N     . GLY A 1 165 ? 21.177  55.401 12.040 1.00 45.55  ? 163 GLY A N     1 
ATOM   1259 C CA    . GLY A 1 165 ? 21.576  56.696 11.523 1.00 50.64  ? 163 GLY A CA    1 
ATOM   1260 C C     . GLY A 1 165 ? 20.370  57.492 11.083 1.00 53.98  ? 163 GLY A C     1 
ATOM   1261 O O     . GLY A 1 165 ? 19.249  56.975 10.996 1.00 53.03  ? 163 GLY A O     1 
ATOM   1262 N N     . GLY A 1 166 ? 20.625  58.770 10.795 1.00 61.49  ? 164 GLY A N     1 
ATOM   1263 C CA    . GLY A 1 166 ? 19.579  59.701 10.394 1.00 67.18  ? 164 GLY A CA    1 
ATOM   1264 C C     . GLY A 1 166 ? 20.179  61.005 9.914  1.00 71.80  ? 164 GLY A C     1 
ATOM   1265 O O     . GLY A 1 166 ? 21.400  61.196 9.934  1.00 74.22  ? 164 GLY A O     1 
ATOM   1266 N N     . ASN A 1 167 ? 19.300  61.899 9.452  1.00 71.99  ? 165 ASN A N     1 
ATOM   1267 C CA    . ASN A 1 167 ? 19.741  63.209 8.973  1.00 74.50  ? 165 ASN A CA    1 
ATOM   1268 C C     . ASN A 1 167 ? 18.563  64.173 8.950  1.00 80.88  ? 165 ASN A C     1 
ATOM   1269 O O     . ASN A 1 167 ? 17.727  64.108 8.042  1.00 84.57  ? 165 ASN A O     1 
ATOM   1270 C CB    . ASN A 1 167 ? 20.371  63.095 7.590  1.00 76.91  ? 165 ASN A CB    1 
ATOM   1271 C CG    . ASN A 1 167 ? 19.605  62.128 6.649  1.00 82.52  ? 165 ASN A CG    1 
ATOM   1272 O OD1   . ASN A 1 167 ? 18.397  62.289 6.369  1.00 78.66  ? 165 ASN A OD1   1 
ATOM   1273 N ND2   . ASN A 1 167 ? 20.336  61.134 6.123  1.00 83.86  ? 165 ASN A ND2   1 
ATOM   1274 N N     . GLY A 1 168 ? 18.528  65.108 9.894  1.00 86.46  ? 166 GLY A N     1 
ATOM   1275 C CA    . GLY A 1 168 ? 17.493  66.124 9.854  1.00 89.83  ? 166 GLY A CA    1 
ATOM   1276 C C     . GLY A 1 168 ? 16.092  65.641 10.167 1.00 95.00  ? 166 GLY A C     1 
ATOM   1277 O O     . GLY A 1 168 ? 15.711  65.588 11.336 1.00 96.18  ? 166 GLY A O     1 
ATOM   1278 N N     . HIS A 1 169 ? 15.299  65.327 9.131  1.00 91.54  ? 167 HIS A N     1 
ATOM   1279 C CA    . HIS A 1 169 ? 13.916  64.891 9.311  1.00 96.29  ? 167 HIS A CA    1 
ATOM   1280 C C     . HIS A 1 169 ? 13.690  63.455 8.847  1.00 91.85  ? 167 HIS A C     1 
ATOM   1281 O O     . HIS A 1 169 ? 12.570  63.093 8.480  1.00 95.22  ? 167 HIS A O     1 
ATOM   1282 C CB    . HIS A 1 169 ? 12.952  65.835 8.578  1.00 103.23 ? 167 HIS A CB    1 
ATOM   1283 C CG    . HIS A 1 169 ? 11.678  66.119 9.329  1.00 111.99 ? 167 HIS A CG    1 
ATOM   1284 N ND1   . HIS A 1 169 ? 11.236  67.400 9.590  1.00 117.02 ? 167 HIS A ND1   1 
ATOM   1285 C CD2   . HIS A 1 169 ? 10.754  65.288 9.871  1.00 116.03 ? 167 HIS A CD2   1 
ATOM   1286 C CE1   . HIS A 1 169 ? 10.098  67.345 10.261 1.00 127.53 ? 167 HIS A CE1   1 
ATOM   1287 N NE2   . HIS A 1 169 ? 9.784   66.075 10.446 1.00 124.88 ? 167 HIS A NE2   1 
ATOM   1288 N N     . GLN A 1 170 ? 14.728  62.628 8.832  1.00 85.09  ? 168 GLN A N     1 
ATOM   1289 C CA    . GLN A 1 170 ? 14.589  61.246 8.401  1.00 80.12  ? 168 GLN A CA    1 
ATOM   1290 C C     . GLN A 1 170 ? 15.451  60.339 9.266  1.00 73.37  ? 168 GLN A C     1 
ATOM   1291 O O     . GLN A 1 170 ? 16.583  60.685 9.602  1.00 75.37  ? 168 GLN A O     1 
ATOM   1292 C CB    . GLN A 1 170 ? 14.944  61.103 6.911  1.00 81.59  ? 168 GLN A CB    1 
ATOM   1293 C CG    . GLN A 1 170 ? 14.177  62.098 6.011  1.00 86.28  ? 168 GLN A CG    1 
ATOM   1294 C CD    . GLN A 1 170 ? 15.039  62.792 4.982  1.00 84.85  ? 168 GLN A CD    1 
ATOM   1295 O OE1   . GLN A 1 170 ? 15.502  62.169 4.026  1.00 81.60  ? 168 GLN A OE1   1 
ATOM   1296 N NE2   . GLN A 1 170 ? 15.283  64.089 5.187  1.00 85.41  ? 168 GLN A NE2   1 
ATOM   1297 N N     . GLY A 1 171 ? 14.917  59.194 9.634  1.00 68.48  ? 169 GLY A N     1 
ATOM   1298 C CA    . GLY A 1 171 ? 15.643  58.251 10.469 1.00 61.62  ? 169 GLY A CA    1 
ATOM   1299 C C     . GLY A 1 171 ? 15.640  56.872 9.856  1.00 54.09  ? 169 GLY A C     1 
ATOM   1300 O O     . GLY A 1 171 ? 14.653  56.452 9.263  1.00 55.61  ? 169 GLY A O     1 
ATOM   1301 N N     . PHE A 1 172 ? 16.764  56.173 9.991  1.00 51.37  ? 170 PHE A N     1 
ATOM   1302 C CA    . PHE A 1 172 ? 16.940  54.898 9.311  1.00 50.05  ? 170 PHE A CA    1 
ATOM   1303 C C     . PHE A 1 172 ? 17.321  53.793 10.280 1.00 45.91  ? 170 PHE A C     1 
ATOM   1304 O O     . PHE A 1 172 ? 18.193  53.966 11.128 1.00 45.99  ? 170 PHE A O     1 
ATOM   1305 C CB    . PHE A 1 172 ? 18.017  54.978 8.202  1.00 54.44  ? 170 PHE A CB    1 
ATOM   1306 C CG    . PHE A 1 172 ? 17.756  56.031 7.162  1.00 51.36  ? 170 PHE A CG    1 
ATOM   1307 C CD1   . PHE A 1 172 ? 18.104  57.351 7.389  1.00 55.27  ? 170 PHE A CD1   1 
ATOM   1308 C CD2   . PHE A 1 172 ? 17.158  55.702 5.972  1.00 50.72  ? 170 PHE A CD2   1 
ATOM   1309 C CE1   . PHE A 1 172 ? 17.873  58.324 6.450  1.00 56.86  ? 170 PHE A CE1   1 
ATOM   1310 C CE2   . PHE A 1 172 ? 16.918  56.674 5.029  1.00 52.24  ? 170 PHE A CE2   1 
ATOM   1311 C CZ    . PHE A 1 172 ? 17.285  57.991 5.274  1.00 55.73  ? 170 PHE A CZ    1 
ATOM   1312 N N     . SER A 1 173 ? 16.706  52.638 10.089 1.00 44.98  ? 171 SER A N     1 
ATOM   1313 C CA    . SER A 1 173 ? 16.961  51.457 10.894 1.00 43.97  ? 171 SER A CA    1 
ATOM   1314 C C     . SER A 1 173 ? 17.405  50.322 9.996  1.00 43.62  ? 171 SER A C     1 
ATOM   1315 O O     . SER A 1 173 ? 16.745  50.020 9.013  1.00 43.67  ? 171 SER A O     1 
ATOM   1316 C CB    . SER A 1 173 ? 15.711  51.017 11.664 1.00 43.46  ? 171 SER A CB    1 
ATOM   1317 O OG    . SER A 1 173 ? 15.537  51.784 12.834 1.00 43.68  ? 171 SER A OG    1 
ATOM   1318 N N     . ALA A 1 174 ? 18.510  49.691 10.327 1.00 43.44  ? 172 ALA A N     1 
ATOM   1319 C CA    . ALA A 1 174 ? 18.772  48.395 9.729  1.00 43.14  ? 172 ALA A CA    1 
ATOM   1320 C C     . ALA A 1 174 ? 17.605  47.466 10.031 1.00 42.46  ? 172 ALA A C     1 
ATOM   1321 O O     . ALA A 1 174 ? 17.131  47.402 11.162 1.00 42.08  ? 172 ALA A O     1 
ATOM   1322 C CB    . ALA A 1 174 ? 20.074  47.811 10.271 1.00 43.34  ? 172 ALA A CB    1 
ATOM   1323 N N     . ALA A 1 175 ? 17.106  46.782 9.011  1.00 42.51  ? 173 ALA A N     1 
ATOM   1324 C CA    . ALA A 1 175 ? 16.065  45.794 9.253  1.00 43.47  ? 173 ALA A CA    1 
ATOM   1325 C C     . ALA A 1 175 ? 16.626  44.653 10.093 1.00 44.29  ? 173 ALA A C     1 
ATOM   1326 O O     . ALA A 1 175 ? 17.840  44.490 10.238 1.00 45.40  ? 173 ALA A O     1 
ATOM   1327 C CB    . ALA A 1 175 ? 15.495  45.259 7.939  1.00 42.67  ? 173 ALA A CB    1 
ATOM   1328 N N     . LEU A 1 176 ? 15.731  43.886 10.702 1.00 45.48  ? 174 LEU A N     1 
ATOM   1329 C CA    . LEU A 1 176 ? 16.149  42.785 11.560 1.00 48.40  ? 174 LEU A CA    1 
ATOM   1330 C C     . LEU A 1 176 ? 15.435  41.522 11.118 1.00 47.43  ? 174 LEU A C     1 
ATOM   1331 O O     . LEU A 1 176 ? 14.248  41.351 11.398 1.00 48.65  ? 174 LEU A O     1 
ATOM   1332 C CB    . LEU A 1 176 ? 15.867  43.101 13.030 1.00 49.02  ? 174 LEU A CB    1 
ATOM   1333 C CG    . LEU A 1 176 ? 17.092  43.558 13.836 1.00 46.57  ? 174 LEU A CG    1 
ATOM   1334 C CD1   . LEU A 1 176 ? 16.678  44.402 15.028 1.00 46.63  ? 174 LEU A CD1   1 
ATOM   1335 C CD2   . LEU A 1 176 ? 17.943  42.362 14.282 1.00 47.73  ? 174 LEU A CD2   1 
ATOM   1336 N N     . LEU A 1 177 ? 16.161  40.629 10.469 1.00 48.10  ? 175 LEU A N     1 
ATOM   1337 C CA    . LEU A 1 177 ? 15.561  39.444 9.881  1.00 53.01  ? 175 LEU A CA    1 
ATOM   1338 C C     . LEU A 1 177 ? 15.753  38.217 10.760 1.00 51.52  ? 175 LEU A C     1 
ATOM   1339 O O     . LEU A 1 177 ? 16.701  38.133 11.544 1.00 51.49  ? 175 LEU A O     1 
ATOM   1340 C CB    . LEU A 1 177 ? 16.139  39.168 8.494  1.00 55.93  ? 175 LEU A CB    1 
ATOM   1341 C CG    . LEU A 1 177 ? 15.721  40.091 7.339  1.00 58.41  ? 175 LEU A CG    1 
ATOM   1342 C CD1   . LEU A 1 177 ? 14.249  40.451 7.454  1.00 60.29  ? 175 LEU A CD1   1 
ATOM   1343 C CD2   . LEU A 1 177 ? 16.572  41.353 7.235  1.00 55.08  ? 175 LEU A CD2   1 
ATOM   1344 N N     . LYS A 1 178 ? 14.814  37.276 10.636 1.00 52.59  ? 176 LYS A N     1 
ATOM   1345 C CA    . LYS A 1 178 ? 14.884  36.033 11.398 1.00 52.72  ? 176 LYS A CA    1 
ATOM   1346 C C     . LYS A 1 178 ? 16.135  35.234 11.062 1.00 56.11  ? 176 LYS A C     1 
ATOM   1347 O O     . LYS A 1 178 ? 16.819  34.731 11.962 1.00 57.09  ? 176 LYS A O     1 
ATOM   1348 C CB    . LYS A 1 178 ? 13.658  35.172 11.112 1.00 57.81  ? 176 LYS A CB    1 
ATOM   1349 C CG    . LYS A 1 178 ? 12.469  35.341 12.049 1.00 57.37  ? 176 LYS A CG    1 
ATOM   1350 C CD    . LYS A 1 178 ? 11.640  34.060 12.052 1.00 60.55  ? 176 LYS A CD    1 
ATOM   1351 C CE    . LYS A 1 178 ? 10.201  34.309 12.476 1.00 60.85  ? 176 LYS A CE    1 
ATOM   1352 N NZ    . LYS A 1 178 ? 9.915   35.760 12.695 1.00 58.13  ? 176 LYS A NZ    1 
ATOM   1353 N N     . HIS A 1 179 ? 16.461  35.105 9.770  1.00 60.54  ? 177 HIS A N     1 
ATOM   1354 C CA    . HIS A 1 179 ? 17.521  34.173 9.392  1.00 61.48  ? 177 HIS A CA    1 
ATOM   1355 C C     . HIS A 1 179 ? 18.884  34.561 9.940  1.00 61.30  ? 177 HIS A C     1 
ATOM   1356 O O     . HIS A 1 179 ? 19.762  33.700 9.998  1.00 62.33  ? 177 HIS A O     1 
ATOM   1357 C CB    . HIS A 1 179 ? 17.655  34.010 7.866  1.00 62.64  ? 177 HIS A CB    1 
ATOM   1358 C CG    . HIS A 1 179 ? 17.936  35.282 7.121  1.00 61.22  ? 177 HIS A CG    1 
ATOM   1359 N ND1   . HIS A 1 179 ? 17.016  36.305 6.999  1.00 60.38  ? 177 HIS A ND1   1 
ATOM   1360 C CD2   . HIS A 1 179 ? 19.065  35.718 6.511  1.00 61.37  ? 177 HIS A CD2   1 
ATOM   1361 C CE1   . HIS A 1 179 ? 17.551  37.293 6.302  1.00 60.03  ? 177 HIS A CE1   1 
ATOM   1362 N NE2   . HIS A 1 179 ? 18.798  36.969 6.006  1.00 61.49  ? 177 HIS A NE2   1 
ATOM   1363 N N     . TYR A 1 180 ? 19.087  35.815 10.362 1.00 56.05  ? 178 TYR A N     1 
ATOM   1364 C CA    . TYR A 1 180 ? 20.402  36.212 10.870 1.00 55.52  ? 178 TYR A CA    1 
ATOM   1365 C C     . TYR A 1 180 ? 20.851  35.370 12.068 1.00 56.14  ? 178 TYR A C     1 
ATOM   1366 O O     . TYR A 1 180 ? 22.053  35.335 12.370 1.00 56.20  ? 178 TYR A O     1 
ATOM   1367 C CB    . TYR A 1 180 ? 20.389  37.676 11.295 1.00 54.36  ? 178 TYR A CB    1 
ATOM   1368 C CG    . TYR A 1 180 ? 20.198  38.728 10.222 1.00 51.51  ? 178 TYR A CG    1 
ATOM   1369 C CD1   . TYR A 1 180 ? 20.104  38.411 8.869  1.00 52.57  ? 178 TYR A CD1   1 
ATOM   1370 C CD2   . TYR A 1 180 ? 20.072  40.059 10.594 1.00 51.13  ? 178 TYR A CD2   1 
ATOM   1371 C CE1   . TYR A 1 180 ? 19.910  39.429 7.905  1.00 53.73  ? 178 TYR A CE1   1 
ATOM   1372 C CE2   . TYR A 1 180 ? 19.876  41.060 9.673  1.00 51.18  ? 178 TYR A CE2   1 
ATOM   1373 C CZ    . TYR A 1 180 ? 19.796  40.764 8.330  1.00 52.13  ? 178 TYR A CZ    1 
ATOM   1374 O OH    . TYR A 1 180 ? 19.602  41.839 7.462  1.00 47.90  ? 178 TYR A OH    1 
ATOM   1375 N N     . PHE A 1 181 ? 19.916  34.706 12.755 1.00 55.98  ? 179 PHE A N     1 
ATOM   1376 C CA    . PHE A 1 181 ? 20.194  33.914 13.947 1.00 56.25  ? 179 PHE A CA    1 
ATOM   1377 C C     . PHE A 1 181 ? 19.862  32.453 13.675 1.00 57.65  ? 179 PHE A C     1 
ATOM   1378 O O     . PHE A 1 181 ? 19.813  32.037 12.517 1.00 59.58  ? 179 PHE A O     1 
ATOM   1379 C CB    . PHE A 1 181 ? 19.402  34.458 15.134 1.00 53.26  ? 179 PHE A CB    1 
ATOM   1380 C CG    . PHE A 1 181 ? 19.501  35.937 15.268 1.00 50.59  ? 179 PHE A CG    1 
ATOM   1381 C CD1   . PHE A 1 181 ? 20.542  36.508 15.956 1.00 50.29  ? 179 PHE A CD1   1 
ATOM   1382 C CD2   . PHE A 1 181 ? 18.583  36.763 14.658 1.00 53.09  ? 179 PHE A CD2   1 
ATOM   1383 C CE1   . PHE A 1 181 ? 20.650  37.880 16.052 1.00 50.69  ? 179 PHE A CE1   1 
ATOM   1384 C CE2   . PHE A 1 181 ? 18.688  38.136 14.753 1.00 50.88  ? 179 PHE A CE2   1 
ATOM   1385 C CZ    . PHE A 1 181 ? 19.720  38.693 15.451 1.00 48.31  ? 179 PHE A CZ    1 
ATOM   1386 N N     . ASN A 1 182 ? 19.668  31.668 14.726 1.00 58.01  ? 180 ASN A N     1 
ATOM   1387 C CA    . ASN A 1 182 ? 19.472  30.218 14.622 1.00 59.68  ? 180 ASN A CA    1 
ATOM   1388 C C     . ASN A 1 182 ? 20.614  29.539 13.854 1.00 61.63  ? 180 ASN A C     1 
ATOM   1389 O O     . ASN A 1 182 ? 21.640  29.162 14.447 1.00 61.95  ? 180 ASN A O     1 
ATOM   1390 C CB    . ASN A 1 182 ? 18.086  29.910 14.009 1.00 59.81  ? 180 ASN A CB    1 
ATOM   1391 C CG    . ASN A 1 182 ? 18.136  29.555 12.518 1.00 69.33  ? 180 ASN A CG    1 
ATOM   1392 O OD1   . ASN A 1 182 ? 17.827  30.385 11.647 1.00 66.24  ? 180 ASN A OD1   1 
ATOM   1393 N ND2   . ASN A 1 182 ? 18.479  28.303 12.219 1.00 73.94  ? 180 ASN A ND2   1 
ATOM   1394 N N     . PRO B 1 4   ? 25.941  36.897 45.418 1.00 90.35  ? 2   PRO B N     1 
ATOM   1395 C CA    . PRO B 1 4   ? 25.880  38.329 45.085 1.00 90.02  ? 2   PRO B CA    1 
ATOM   1396 C C     . PRO B 1 4   ? 24.577  39.024 45.540 1.00 90.18  ? 2   PRO B C     1 
ATOM   1397 O O     . PRO B 1 4   ? 23.469  38.752 45.023 1.00 87.84  ? 2   PRO B O     1 
ATOM   1398 C CB    . PRO B 1 4   ? 25.978  38.352 43.540 1.00 87.79  ? 2   PRO B CB    1 
ATOM   1399 C CG    . PRO B 1 4   ? 26.460  36.977 43.132 1.00 88.00  ? 2   PRO B CG    1 
ATOM   1400 C CD    . PRO B 1 4   ? 25.924  36.051 44.210 1.00 91.20  ? 2   PRO B CD    1 
ATOM   1401 N N     . ALA B 1 5   ? 24.730  39.914 46.530 1.00 80.89  ? 3   ALA B N     1 
ATOM   1402 C CA    . ALA B 1 5   ? 23.663  40.848 46.875 1.00 69.71  ? 3   ALA B CA    1 
ATOM   1403 C C     . ALA B 1 5   ? 23.309  41.721 45.681 1.00 60.48  ? 3   ALA B C     1 
ATOM   1404 O O     . ALA B 1 5   ? 22.146  42.100 45.511 1.00 53.56  ? 3   ALA B O     1 
ATOM   1405 C CB    . ALA B 1 5   ? 24.094  41.710 48.065 1.00 64.88  ? 3   ALA B CB    1 
ATOM   1406 N N     . PHE B 1 6   ? 24.317  42.014 44.843 1.00 63.26  ? 4   PHE B N     1 
ATOM   1407 C CA    . PHE B 1 6   ? 24.196  42.860 43.652 1.00 58.70  ? 4   PHE B CA    1 
ATOM   1408 C C     . PHE B 1 6   ? 23.277  42.249 42.594 1.00 53.98  ? 4   PHE B C     1 
ATOM   1409 O O     . PHE B 1 6   ? 22.354  42.914 42.093 1.00 49.46  ? 4   PHE B O     1 
ATOM   1410 C CB    . PHE B 1 6   ? 25.618  43.085 43.113 1.00 58.47  ? 4   PHE B CB    1 
ATOM   1411 C CG    . PHE B 1 6   ? 25.698  43.648 41.724 1.00 57.16  ? 4   PHE B CG    1 
ATOM   1412 C CD1   . PHE B 1 6   ? 25.033  44.814 41.389 1.00 57.08  ? 4   PHE B CD1   1 
ATOM   1413 C CD2   . PHE B 1 6   ? 26.523  43.046 40.773 1.00 58.15  ? 4   PHE B CD2   1 
ATOM   1414 C CE1   . PHE B 1 6   ? 25.137  45.342 40.109 1.00 56.86  ? 4   PHE B CE1   1 
ATOM   1415 C CE2   . PHE B 1 6   ? 26.636  43.562 39.496 1.00 57.15  ? 4   PHE B CE2   1 
ATOM   1416 C CZ    . PHE B 1 6   ? 25.940  44.717 39.161 1.00 57.46  ? 4   PHE B CZ    1 
ATOM   1417 N N     . GLU B 1 7   ? 23.479  40.967 42.277 1.00 53.77  ? 5   GLU B N     1 
ATOM   1418 C CA    . GLU B 1 7   ? 22.704  40.344 41.206 1.00 53.87  ? 5   GLU B CA    1 
ATOM   1419 C C     . GLU B 1 7   ? 21.244  40.133 41.601 1.00 52.82  ? 5   GLU B C     1 
ATOM   1420 O O     . GLU B 1 7   ? 20.323  40.365 40.793 1.00 52.69  ? 5   GLU B O     1 
ATOM   1421 C CB    . GLU B 1 7   ? 23.385  39.035 40.812 1.00 60.64  ? 5   GLU B CB    1 
ATOM   1422 C CG    . GLU B 1 7   ? 22.469  37.877 40.465 1.00 60.70  ? 5   GLU B CG    1 
ATOM   1423 C CD    . GLU B 1 7   ? 23.239  36.561 40.496 1.00 64.56  ? 5   GLU B CD    1 
ATOM   1424 O OE1   . GLU B 1 7   ? 24.168  36.406 39.654 1.00 70.31  ? 5   GLU B OE1   1 
ATOM   1425 O OE2   . GLU B 1 7   ? 22.955  35.719 41.389 1.00 60.94  ? 5   GLU B OE2   1 
ATOM   1426 N N     . PHE B 1 8   ? 21.001  39.779 42.864 1.00 55.32  ? 6   PHE B N     1 
ATOM   1427 C CA    . PHE B 1 8   ? 19.627  39.661 43.346 1.00 49.05  ? 6   PHE B CA    1 
ATOM   1428 C C     . PHE B 1 8   ? 18.969  41.030 43.475 1.00 44.93  ? 6   PHE B C     1 
ATOM   1429 O O     . PHE B 1 8   ? 17.778  41.171 43.198 1.00 45.94  ? 6   PHE B O     1 
ATOM   1430 C CB    . PHE B 1 8   ? 19.626  38.881 44.660 1.00 50.19  ? 6   PHE B CB    1 
ATOM   1431 C CG    . PHE B 1 8   ? 18.435  39.134 45.564 1.00 49.21  ? 6   PHE B CG    1 
ATOM   1432 C CD1   . PHE B 1 8   ? 18.337  40.299 46.331 1.00 47.09  ? 6   PHE B CD1   1 
ATOM   1433 C CD2   . PHE B 1 8   ? 17.477  38.160 45.733 1.00 48.04  ? 6   PHE B CD2   1 
ATOM   1434 C CE1   . PHE B 1 8   ? 17.278  40.516 47.182 1.00 43.78  ? 6   PHE B CE1   1 
ATOM   1435 C CE2   . PHE B 1 8   ? 16.403  38.370 46.590 1.00 47.70  ? 6   PHE B CE2   1 
ATOM   1436 C CZ    . PHE B 1 8   ? 16.311  39.551 47.315 1.00 46.26  ? 6   PHE B CZ    1 
ATOM   1437 N N     . ALA B 1 9   ? 19.706  42.046 43.922 1.00 46.50  ? 7   ALA B N     1 
ATOM   1438 C CA    . ALA B 1 9   ? 19.090  43.359 44.054 1.00 43.60  ? 7   ALA B CA    1 
ATOM   1439 C C     . ALA B 1 9   ? 18.739  43.973 42.697 1.00 47.21  ? 7   ALA B C     1 
ATOM   1440 O O     . ALA B 1 9   ? 17.729  44.681 42.596 1.00 46.47  ? 7   ALA B O     1 
ATOM   1441 C CB    . ALA B 1 9   ? 19.987  44.292 44.859 1.00 46.29  ? 7   ALA B CB    1 
ATOM   1442 N N     . VAL B 1 10  ? 19.538  43.741 41.640 1.00 48.37  ? 8   VAL B N     1 
ATOM   1443 C CA    . VAL B 1 10  ? 19.103  44.225 40.318 1.00 47.93  ? 8   VAL B CA    1 
ATOM   1444 C C     . VAL B 1 10  ? 17.862  43.466 39.858 1.00 44.48  ? 8   VAL B C     1 
ATOM   1445 O O     . VAL B 1 10  ? 16.927  44.067 39.308 1.00 43.36  ? 8   VAL B O     1 
ATOM   1446 C CB    . VAL B 1 10  ? 20.201  44.149 39.236 1.00 46.95  ? 8   VAL B CB    1 
ATOM   1447 C CG1   . VAL B 1 10  ? 21.203  45.277 39.397 1.00 48.96  ? 8   VAL B CG1   1 
ATOM   1448 C CG2   . VAL B 1 10  ? 20.861  42.787 39.160 1.00 47.14  ? 8   VAL B CG2   1 
ATOM   1449 N N     . ALA B 1 11  ? 17.836  42.137 40.042 1.00 44.00  ? 9   ALA B N     1 
ATOM   1450 C CA    . ALA B 1 11  ? 16.602  41.421 39.743 1.00 43.95  ? 9   ALA B CA    1 
ATOM   1451 C C     . ALA B 1 11  ? 15.409  42.082 40.424 1.00 43.73  ? 9   ALA B C     1 
ATOM   1452 O O     . ALA B 1 11  ? 14.437  42.469 39.766 1.00 47.51  ? 9   ALA B O     1 
ATOM   1453 C CB    . ALA B 1 11  ? 16.720  39.969 40.187 1.00 46.17  ? 9   ALA B CB    1 
ATOM   1454 N N     . MET B 1 12  ? 15.498  42.257 41.736 1.00 42.27  ? 10  MET B N     1 
ATOM   1455 C CA    . MET B 1 12  ? 14.424  42.844 42.524 1.00 41.18  ? 10  MET B CA    1 
ATOM   1456 C C     . MET B 1 12  ? 13.989  44.202 41.998 1.00 40.75  ? 10  MET B C     1 
ATOM   1457 O O     . MET B 1 12  ? 12.794  44.508 41.977 1.00 42.37  ? 10  MET B O     1 
ATOM   1458 C CB    . MET B 1 12  ? 14.878  42.977 43.976 1.00 44.28  ? 10  MET B CB    1 
ATOM   1459 C CG    . MET B 1 12  ? 13.925  43.752 44.822 1.00 40.36  ? 10  MET B CG    1 
ATOM   1460 S SD    . MET B 1 12  ? 12.702  42.593 45.406 1.00 40.99  ? 10  MET B SD    1 
ATOM   1461 C CE    . MET B 1 12  ? 13.702  41.155 45.759 1.00 41.22  ? 10  MET B CE    1 
ATOM   1462 N N     . MET B 1 13  ? 14.934  45.052 41.617 1.00 39.81  ? 11  MET B N     1 
ATOM   1463 C CA    . MET B 1 13  ? 14.512  46.377 41.178 1.00 41.65  ? 11  MET B CA    1 
ATOM   1464 C C     . MET B 1 13  ? 13.961  46.398 39.754 1.00 45.02  ? 11  MET B C     1 
ATOM   1465 O O     . MET B 1 13  ? 13.157  47.278 39.422 1.00 45.16  ? 11  MET B O     1 
ATOM   1466 C CB    . MET B 1 13  ? 15.647  47.367 41.344 1.00 42.57  ? 11  MET B CB    1 
ATOM   1467 C CG    . MET B 1 13  ? 16.080  47.389 42.786 1.00 43.39  ? 11  MET B CG    1 
ATOM   1468 S SD    . MET B 1 13  ? 15.250  48.712 43.698 1.00 44.33  ? 11  MET B SD    1 
ATOM   1469 C CE    . MET B 1 13  ? 15.453  50.072 42.556 1.00 44.41  ? 11  MET B CE    1 
ATOM   1470 N N     . LYS B 1 14  ? 14.397  45.494 38.879 1.00 47.16  ? 12  LYS B N     1 
ATOM   1471 C CA    . LYS B 1 14  ? 13.721  45.400 37.587 1.00 47.27  ? 12  LYS B CA    1 
ATOM   1472 C C     . LYS B 1 14  ? 12.285  44.906 37.747 1.00 47.00  ? 12  LYS B C     1 
ATOM   1473 O O     . LYS B 1 14  ? 11.373  45.437 37.103 1.00 47.10  ? 12  LYS B O     1 
ATOM   1474 C CB    . LYS B 1 14  ? 14.507  44.502 36.625 1.00 47.46  ? 12  LYS B CB    1 
ATOM   1475 C CG    . LYS B 1 14  ? 15.946  45.011 36.377 1.00 47.83  ? 12  LYS B CG    1 
ATOM   1476 C CD    . LYS B 1 14  ? 16.566  44.521 35.044 1.00 52.06  ? 12  LYS B CD    1 
ATOM   1477 C CE    . LYS B 1 14  ? 15.948  43.203 34.553 1.00 57.99  ? 12  LYS B CE    1 
ATOM   1478 N NZ    . LYS B 1 14  ? 16.081  42.053 35.536 1.00 52.48  ? 12  LYS B NZ    1 
ATOM   1479 N N     . ARG B 1 15  ? 12.049  43.918 38.618 1.00 38.42  ? 13  ARG B N     1 
ATOM   1480 C CA    . ARG B 1 15  ? 10.748  43.258 38.599 1.00 39.92  ? 13  ARG B CA    1 
ATOM   1481 C C     . ARG B 1 15  ? 9.740   43.780 39.632 1.00 41.62  ? 13  ARG B C     1 
ATOM   1482 O O     . ARG B 1 15  ? 8.539   43.463 39.530 1.00 37.06  ? 13  ARG B O     1 
ATOM   1483 C CB    . ARG B 1 15  ? 10.922  41.755 38.807 1.00 39.38  ? 13  ARG B CB    1 
ATOM   1484 C CG    . ARG B 1 15  ? 12.167  41.176 38.229 1.00 40.25  ? 13  ARG B CG    1 
ATOM   1485 C CD    . ARG B 1 15  ? 12.151  39.670 38.428 1.00 43.12  ? 13  ARG B CD    1 
ATOM   1486 N NE    . ARG B 1 15  ? 12.956  38.955 37.441 1.00 50.45  ? 13  ARG B NE    1 
ATOM   1487 C CZ    . ARG B 1 15  ? 12.550  37.863 36.801 1.00 50.79  ? 13  ARG B CZ    1 
ATOM   1488 N NH1   . ARG B 1 15  ? 11.334  37.363 36.995 1.00 47.94  ? 13  ARG B NH1   1 
ATOM   1489 N NH2   . ARG B 1 15  ? 13.378  37.264 35.938 1.00 48.67  ? 13  ARG B NH2   1 
ATOM   1490 N N     . ASN B 1 16  ? 10.186  44.543 40.633 1.00 40.42  ? 14  ASN B N     1 
ATOM   1491 C CA    . ASN B 1 16  ? 9.291   44.994 41.678 1.00 38.73  ? 14  ASN B CA    1 
ATOM   1492 C C     . ASN B 1 16  ? 9.405   46.465 42.012 1.00 37.83  ? 14  ASN B C     1 
ATOM   1493 O O     . ASN B 1 16  ? 8.527   46.977 42.712 1.00 39.03  ? 14  ASN B O     1 
ATOM   1494 C CB    . ASN B 1 16  ? 9.516   44.194 42.970 1.00 36.54  ? 14  ASN B CB    1 
ATOM   1495 C CG    . ASN B 1 16  ? 9.165   42.733 42.817 1.00 38.23  ? 14  ASN B CG    1 
ATOM   1496 O OD1   . ASN B 1 16  ? 9.968   41.943 42.315 1.00 37.84  ? 14  ASN B OD1   1 
ATOM   1497 N ND2   . ASN B 1 16  ? 7.954   42.362 43.244 1.00 38.48  ? 14  ASN B ND2   1 
ATOM   1498 N N     . SER B 1 17  ? 10.424  47.160 41.538 1.00 36.78  ? 15  SER B N     1 
ATOM   1499 C CA    . SER B 1 17  ? 10.608  48.547 41.924 1.00 38.39  ? 15  SER B CA    1 
ATOM   1500 C C     . SER B 1 17  ? 9.975   49.448 40.883 1.00 39.57  ? 15  SER B C     1 
ATOM   1501 O O     . SER B 1 17  ? 9.482   48.988 39.849 1.00 42.95  ? 15  SER B O     1 
ATOM   1502 C CB    . SER B 1 17  ? 12.095  48.889 42.110 1.00 41.34  ? 15  SER B CB    1 
ATOM   1503 O OG    . SER B 1 17  ? 12.770  49.136 40.893 1.00 40.22  ? 15  SER B OG    1 
ATOM   1504 N N     . SER B 1 18  ? 9.930   50.739 41.206 1.00 38.33  ? 16  SER B N     1 
ATOM   1505 C CA    . SER B 1 18  ? 9.409   51.742 40.286 1.00 40.83  ? 16  SER B CA    1 
ATOM   1506 C C     . SER B 1 18  ? 9.787   53.128 40.780 1.00 40.57  ? 16  SER B C     1 
ATOM   1507 O O     . SER B 1 18  ? 10.158  53.305 41.940 1.00 42.28  ? 16  SER B O     1 
ATOM   1508 C CB    . SER B 1 18  ? 7.895   51.635 40.143 1.00 43.28  ? 16  SER B CB    1 
ATOM   1509 O OG    . SER B 1 18  ? 7.352   52.927 39.984 1.00 43.14  ? 16  SER B OG    1 
ATOM   1510 N N     . THR B 1 19  ? 9.648   54.112 39.899 1.00 41.29  ? 17  THR B N     1 
ATOM   1511 C CA    . THR B 1 19  ? 9.804   55.515 40.258 1.00 42.55  ? 17  THR B CA    1 
ATOM   1512 C C     . THR B 1 19  ? 8.432   56.157 40.364 1.00 44.39  ? 17  THR B C     1 
ATOM   1513 O O     . THR B 1 19  ? 7.621   56.028 39.447 1.00 47.82  ? 17  THR B O     1 
ATOM   1514 C CB    . THR B 1 19  ? 10.619  56.265 39.212 1.00 46.78  ? 17  THR B CB    1 
ATOM   1515 O OG1   . THR B 1 19  ? 11.849  55.570 38.960 1.00 48.86  ? 17  THR B OG1   1 
ATOM   1516 C CG2   . THR B 1 19  ? 10.906  57.686 39.700 1.00 50.79  ? 17  THR B CG2   1 
ATOM   1517 N N     . VAL B 1 20  ? 8.174   56.876 41.452 1.00 47.03  ? 18  VAL B N     1 
ATOM   1518 C CA    . VAL B 1 20  ? 6.841   57.412 41.718 1.00 46.65  ? 18  VAL B CA    1 
ATOM   1519 C C     . VAL B 1 20  ? 6.929   58.903 42.003 1.00 48.39  ? 18  VAL B C     1 
ATOM   1520 O O     . VAL B 1 20  ? 7.825   59.356 42.722 1.00 50.06  ? 18  VAL B O     1 
ATOM   1521 C CB    . VAL B 1 20  ? 6.169   56.692 42.905 1.00 44.34  ? 18  VAL B CB    1 
ATOM   1522 C CG1   . VAL B 1 20  ? 4.953   57.468 43.382 1.00 43.53  ? 18  VAL B CG1   1 
ATOM   1523 C CG2   . VAL B 1 20  ? 5.783   55.282 42.507 1.00 44.04  ? 18  VAL B CG2   1 
ATOM   1524 N N     . LYS B 1 21  ? 5.988   59.666 41.457 1.00 51.49  ? 19  LYS B N     1 
ATOM   1525 C CA    . LYS B 1 21  ? 5.873   61.084 41.760 1.00 52.27  ? 19  LYS B CA    1 
ATOM   1526 C C     . LYS B 1 21  ? 4.589   61.290 42.546 1.00 52.33  ? 19  LYS B C     1 
ATOM   1527 O O     . LYS B 1 21  ? 3.548   60.723 42.203 1.00 52.37  ? 19  LYS B O     1 
ATOM   1528 C CB    . LYS B 1 21  ? 5.880   61.945 40.497 1.00 52.83  ? 19  LYS B CB    1 
ATOM   1529 C CG    . LYS B 1 21  ? 7.247   62.577 40.231 1.00 54.57  ? 19  LYS B CG    1 
ATOM   1530 C CD    . LYS B 1 21  ? 7.196   63.669 39.158 1.00 60.83  ? 19  LYS B CD    1 
ATOM   1531 C CE    . LYS B 1 21  ? 8.094   64.857 39.531 1.00 63.07  ? 19  LYS B CE    1 
ATOM   1532 N NZ    . LYS B 1 21  ? 8.209   65.852 38.417 1.00 65.65  ? 19  LYS B NZ    1 
ATOM   1533 N N     . THR B 1 22  ? 4.681   62.027 43.644 1.00 53.88  ? 20  THR B N     1 
ATOM   1534 C CA    . THR B 1 22  ? 3.521   62.418 44.420 1.00 52.55  ? 20  THR B CA    1 
ATOM   1535 C C     . THR B 1 22  ? 3.610   63.916 44.647 1.00 53.46  ? 20  THR B C     1 
ATOM   1536 O O     . THR B 1 22  ? 4.618   64.550 44.327 1.00 57.19  ? 20  THR B O     1 
ATOM   1537 C CB    . THR B 1 22  ? 3.474   61.667 45.748 1.00 57.59  ? 20  THR B CB    1 
ATOM   1538 O OG1   . THR B 1 22  ? 4.507   62.175 46.605 1.00 59.80  ? 20  THR B OG1   1 
ATOM   1539 C CG2   . THR B 1 22  ? 3.703   60.169 45.527 1.00 54.94  ? 20  THR B CG2   1 
ATOM   1540 N N     . GLU B 1 23  ? 2.589   64.485 45.273 1.00 53.86  ? 21  GLU B N     1 
ATOM   1541 C CA    . GLU B 1 23  ? 2.579   65.934 45.406 1.00 57.65  ? 21  GLU B CA    1 
ATOM   1542 C C     . GLU B 1 23  ? 3.763   66.421 46.229 1.00 58.96  ? 21  GLU B C     1 
ATOM   1543 O O     . GLU B 1 23  ? 4.095   67.613 46.187 1.00 59.38  ? 21  GLU B O     1 
ATOM   1544 C CB    . GLU B 1 23  ? 1.253   66.398 46.028 1.00 60.96  ? 21  GLU B CB    1 
ATOM   1545 C CG    . GLU B 1 23  ? 1.065   67.920 46.014 1.00 63.50  ? 21  GLU B CG    1 
ATOM   1546 C CD    . GLU B 1 23  ? 0.271   68.406 44.802 1.00 65.49  ? 21  GLU B CD    1 
ATOM   1547 O OE1   . GLU B 1 23  ? -0.095  67.562 43.948 1.00 64.03  ? 21  GLU B OE1   1 
ATOM   1548 O OE2   . GLU B 1 23  ? 0.035   69.635 44.689 1.00 67.83  ? 21  GLU B OE2   1 
ATOM   1549 N N     . TYR B 1 24  ? 4.413   65.516 46.960 1.00 59.20  ? 22  TYR B N     1 
ATOM   1550 C CA    . TYR B 1 24  ? 5.498   65.854 47.864 1.00 59.64  ? 22  TYR B CA    1 
ATOM   1551 C C     . TYR B 1 24  ? 6.877   65.406 47.379 1.00 59.32  ? 22  TYR B C     1 
ATOM   1552 O O     . TYR B 1 24  ? 7.849   65.549 48.132 1.00 59.64  ? 22  TYR B O     1 
ATOM   1553 C CB    . TYR B 1 24  ? 5.182   65.294 49.253 1.00 59.49  ? 22  TYR B CB    1 
ATOM   1554 C CG    . TYR B 1 24  ? 3.917   65.937 49.825 1.00 64.50  ? 22  TYR B CG    1 
ATOM   1555 C CD1   . TYR B 1 24  ? 3.946   67.222 50.375 1.00 66.27  ? 22  TYR B CD1   1 
ATOM   1556 C CD2   . TYR B 1 24  ? 2.689   65.281 49.774 1.00 64.82  ? 22  TYR B CD2   1 
ATOM   1557 C CE1   . TYR B 1 24  ? 2.801   67.816 50.876 1.00 61.98  ? 22  TYR B CE1   1 
ATOM   1558 C CE2   . TYR B 1 24  ? 1.542   65.864 50.276 1.00 65.49  ? 22  TYR B CE2   1 
ATOM   1559 C CZ    . TYR B 1 24  ? 1.603   67.133 50.822 1.00 66.94  ? 22  TYR B CZ    1 
ATOM   1560 O OH    . TYR B 1 24  ? 0.453   67.716 51.315 1.00 69.45  ? 22  TYR B OH    1 
ATOM   1561 N N     . GLY B 1 25  ? 7.002   64.834 46.164 1.00 59.40  ? 23  GLY B N     1 
ATOM   1562 C CA    . GLY B 1 25  ? 8.324   64.603 45.598 1.00 53.89  ? 23  GLY B CA    1 
ATOM   1563 C C     . GLY B 1 25  ? 8.411   63.287 44.838 1.00 51.37  ? 23  GLY B C     1 
ATOM   1564 O O     . GLY B 1 25  ? 7.401   62.680 44.489 1.00 50.74  ? 23  GLY B O     1 
ATOM   1565 N N     . GLU B 1 26  ? 9.644   62.836 44.602 1.00 50.63  ? 24  GLU B N     1 
ATOM   1566 C CA    . GLU B 1 26  ? 9.925   61.651 43.800 1.00 50.98  ? 24  GLU B CA    1 
ATOM   1567 C C     . GLU B 1 26  ? 10.528  60.577 44.695 1.00 49.53  ? 24  GLU B C     1 
ATOM   1568 O O     . GLU B 1 26  ? 11.475  60.855 45.431 1.00 55.73  ? 24  GLU B O     1 
ATOM   1569 C CB    . GLU B 1 26  ? 10.881  62.004 42.658 1.00 53.33  ? 24  GLU B CB    1 
ATOM   1570 C CG    . GLU B 1 26  ? 10.907  61.035 41.458 1.00 57.25  ? 24  GLU B CG    1 
ATOM   1571 C CD    . GLU B 1 26  ? 12.067  61.342 40.485 1.00 65.66  ? 24  GLU B CD    1 
ATOM   1572 O OE1   . GLU B 1 26  ? 12.294  62.536 40.179 1.00 68.43  ? 24  GLU B OE1   1 
ATOM   1573 O OE2   . GLU B 1 26  ? 12.776  60.389 40.068 1.00 64.63  ? 24  GLU B OE2   1 
ATOM   1574 N N     . PHE B 1 27  ? 9.994   59.357 44.633 1.00 48.12  ? 25  PHE B N     1 
ATOM   1575 C CA    . PHE B 1 27  ? 10.383  58.286 45.546 1.00 47.63  ? 25  PHE B CA    1 
ATOM   1576 C C     . PHE B 1 27  ? 10.550  56.965 44.818 1.00 45.97  ? 25  PHE B C     1 
ATOM   1577 O O     . PHE B 1 27  ? 9.762   56.633 43.933 1.00 49.92  ? 25  PHE B O     1 
ATOM   1578 C CB    . PHE B 1 27  ? 9.349   58.073 46.665 1.00 49.07  ? 25  PHE B CB    1 
ATOM   1579 C CG    . PHE B 1 27  ? 8.839   59.340 47.279 1.00 51.01  ? 25  PHE B CG    1 
ATOM   1580 C CD1   . PHE B 1 27  ? 9.230   59.708 48.541 1.00 54.84  ? 25  PHE B CD1   1 
ATOM   1581 C CD2   . PHE B 1 27  ? 7.946   60.151 46.617 1.00 55.22  ? 25  PHE B CD2   1 
ATOM   1582 C CE1   . PHE B 1 27  ? 8.748   60.877 49.123 1.00 56.47  ? 25  PHE B CE1   1 
ATOM   1583 C CE2   . PHE B 1 27  ? 7.470   61.321 47.202 1.00 56.48  ? 25  PHE B CE2   1 
ATOM   1584 C CZ    . PHE B 1 27  ? 7.878   61.685 48.446 1.00 54.00  ? 25  PHE B CZ    1 
ATOM   1585 N N     . THR B 1 28  ? 11.571  56.209 45.179 1.00 46.97  ? 26  THR B N     1 
ATOM   1586 C CA    . THR B 1 28  ? 11.537  54.787 44.878 1.00 46.01  ? 26  THR B CA    1 
ATOM   1587 C C     . THR B 1 28  ? 10.335  54.165 45.566 1.00 45.74  ? 26  THR B C     1 
ATOM   1588 O O     . THR B 1 28  ? 10.019  54.498 46.707 1.00 50.79  ? 26  THR B O     1 
ATOM   1589 C CB    . THR B 1 28  ? 12.812  54.097 45.344 1.00 49.14  ? 26  THR B CB    1 
ATOM   1590 O OG1   . THR B 1 28  ? 13.945  54.767 44.781 1.00 50.24  ? 26  THR B OG1   1 
ATOM   1591 C CG2   . THR B 1 28  ? 12.810  52.613 44.944 1.00 45.54  ? 26  THR B CG2   1 
ATOM   1592 N N     . MET B 1 29  ? 9.638   53.294 44.853 1.00 42.90  ? 27  MET B N     1 
ATOM   1593 C CA    . MET B 1 29  ? 8.508   52.536 45.376 1.00 39.59  ? 27  MET B CA    1 
ATOM   1594 C C     . MET B 1 29  ? 8.752   51.058 45.126 1.00 37.40  ? 27  MET B C     1 
ATOM   1595 O O     . MET B 1 29  ? 9.292   50.692 44.085 1.00 42.18  ? 27  MET B O     1 
ATOM   1596 C CB    . MET B 1 29  ? 7.207   52.994 44.717 1.00 40.43  ? 27  MET B CB    1 
ATOM   1597 C CG    . MET B 1 29  ? 5.965   52.876 45.581 1.00 42.60  ? 27  MET B CG    1 
ATOM   1598 S SD    . MET B 1 29  ? 4.364   52.934 44.701 1.00 35.19  ? 27  MET B SD    1 
ATOM   1599 C CE    . MET B 1 29  ? 4.362   51.409 43.773 1.00 43.54  ? 27  MET B CE    1 
ATOM   1600 N N     . LEU B 1 30  ? 8.385   50.207 46.070 1.00 36.56  ? 28  LEU B N     1 
ATOM   1601 C CA    . LEU B 1 30  ? 8.524   48.768 45.894 1.00 36.44  ? 28  LEU B CA    1 
ATOM   1602 C C     . LEU B 1 30  ? 7.172   48.081 46.089 1.00 37.00  ? 28  LEU B C     1 
ATOM   1603 O O     . LEU B 1 30  ? 6.452   48.363 47.060 1.00 37.42  ? 28  LEU B O     1 
ATOM   1604 C CB    . LEU B 1 30  ? 9.565   48.191 46.850 1.00 36.05  ? 28  LEU B CB    1 
ATOM   1605 C CG    . LEU B 1 30  ? 9.571   46.660 46.849 1.00 36.88  ? 28  LEU B CG    1 
ATOM   1606 C CD1   . LEU B 1 30  ? 10.875  46.131 46.286 1.00 38.89  ? 28  LEU B CD1   1 
ATOM   1607 C CD2   . LEU B 1 30  ? 9.302   46.109 48.248 1.00 40.96  ? 28  LEU B CD2   1 
ATOM   1608 N N     . GLY B 1 31  ? 6.839   47.169 45.177 1.00 35.81  ? 29  GLY B N     1 
ATOM   1609 C CA    . GLY B 1 31  ? 5.606   46.400 45.262 1.00 36.22  ? 29  GLY B CA    1 
ATOM   1610 C C     . GLY B 1 31  ? 5.855   44.987 45.763 1.00 36.71  ? 29  GLY B C     1 
ATOM   1611 O O     . GLY B 1 31  ? 6.732   44.282 45.254 1.00 37.95  ? 29  GLY B O     1 
ATOM   1612 N N     . ILE B 1 32  ? 5.036   44.567 46.725 1.00 37.16  ? 30  ILE B N     1 
ATOM   1613 C CA    . ILE B 1 32  ? 5.300   43.342 47.471 1.00 38.24  ? 30  ILE B CA    1 
ATOM   1614 C C     . ILE B 1 32  ? 4.580   42.147 46.852 1.00 37.55  ? 30  ILE B C     1 
ATOM   1615 O O     . ILE B 1 32  ? 5.166   41.063 46.746 1.00 37.77  ? 30  ILE B O     1 
ATOM   1616 C CB    . ILE B 1 32  ? 4.933   43.535 48.967 1.00 40.77  ? 30  ILE B CB    1 
ATOM   1617 C CG1   . ILE B 1 32  ? 5.579   44.795 49.580 1.00 38.77  ? 30  ILE B CG1   1 
ATOM   1618 C CG2   . ILE B 1 32  ? 5.289   42.305 49.798 1.00 42.71  ? 30  ILE B CG2   1 
ATOM   1619 C CD1   . ILE B 1 32  ? 4.869   46.119 49.272 1.00 35.38  ? 30  ILE B CD1   1 
ATOM   1620 N N     . TYR B 1 33  ? 3.309   42.319 46.473 1.00 35.69  ? 31  TYR B N     1 
ATOM   1621 C CA    . TYR B 1 33  ? 2.537   41.294 45.768 1.00 38.17  ? 31  TYR B CA    1 
ATOM   1622 C C     . TYR B 1 33  ? 1.268   41.918 45.192 1.00 40.74  ? 31  TYR B C     1 
ATOM   1623 O O     . TYR B 1 33  ? 0.873   43.018 45.583 1.00 40.85  ? 31  TYR B O     1 
ATOM   1624 C CB    . TYR B 1 33  ? 2.193   40.106 46.670 1.00 42.79  ? 31  TYR B CB    1 
ATOM   1625 C CG    . TYR B 1 33  ? 1.081   40.364 47.662 1.00 45.95  ? 31  TYR B CG    1 
ATOM   1626 C CD1   . TYR B 1 33  ? 1.075   41.494 48.488 1.00 43.98  ? 31  TYR B CD1   1 
ATOM   1627 C CD2   . TYR B 1 33  ? 0.007   39.500 47.737 1.00 49.13  ? 31  TYR B CD2   1 
ATOM   1628 C CE1   . TYR B 1 33  ? 0.056   41.727 49.365 1.00 46.79  ? 31  TYR B CE1   1 
ATOM   1629 C CE2   . TYR B 1 33  ? -1.036  39.722 48.620 1.00 52.64  ? 31  TYR B CE2   1 
ATOM   1630 C CZ    . TYR B 1 33  ? -1.013  40.833 49.429 1.00 54.76  ? 31  TYR B CZ    1 
ATOM   1631 O OH    . TYR B 1 33  ? -2.074  41.024 50.303 1.00 60.21  ? 31  TYR B OH    1 
ATOM   1632 N N     . ASP B 1 34  ? 0.647   41.202 44.235 1.00 42.97  ? 32  ASP B N     1 
ATOM   1633 C CA    . ASP B 1 34  ? -0.515  41.654 43.449 1.00 39.83  ? 32  ASP B CA    1 
ATOM   1634 C C     . ASP B 1 34  ? -0.510  43.147 43.185 1.00 39.44  ? 32  ASP B C     1 
ATOM   1635 O O     . ASP B 1 34  ? 0.437   43.653 42.576 1.00 44.65  ? 32  ASP B O     1 
ATOM   1636 C CB    . ASP B 1 34  ? -1.827  41.253 44.090 1.00 40.29  ? 32  ASP B CB    1 
ATOM   1637 C CG    . ASP B 1 34  ? -2.063  39.765 43.995 1.00 44.79  ? 32  ASP B CG    1 
ATOM   1638 O OD1   . ASP B 1 34  ? -3.246  39.373 43.918 1.00 49.74  ? 32  ASP B OD1   1 
ATOM   1639 O OD2   . ASP B 1 34  ? -1.070  38.989 43.978 1.00 43.78  ? 32  ASP B OD2   1 
ATOM   1640 N N     . ARG B 1 35  ? -1.522  43.885 43.625 1.00 37.25  ? 33  ARG B N     1 
ATOM   1641 C CA    . ARG B 1 35  ? -1.487  45.322 43.397 1.00 39.83  ? 33  ARG B CA    1 
ATOM   1642 C C     . ARG B 1 35  ? -1.102  46.102 44.647 1.00 42.36  ? 33  ARG B C     1 
ATOM   1643 O O     . ARG B 1 35  ? -1.481  47.267 44.792 1.00 43.16  ? 33  ARG B O     1 
ATOM   1644 C CB    . ARG B 1 35  ? -2.820  45.815 42.860 1.00 44.71  ? 33  ARG B CB    1 
ATOM   1645 C CG    . ARG B 1 35  ? -3.134  45.351 41.466 1.00 44.70  ? 33  ARG B CG    1 
ATOM   1646 C CD    . ARG B 1 35  ? -4.142  44.234 41.524 1.00 47.80  ? 33  ARG B CD    1 
ATOM   1647 N NE    . ARG B 1 35  ? -4.355  43.626 40.219 1.00 50.67  ? 33  ARG B NE    1 
ATOM   1648 C CZ    . ARG B 1 35  ? -4.886  42.426 40.034 1.00 51.01  ? 33  ARG B CZ    1 
ATOM   1649 N NH1   . ARG B 1 35  ? -5.260  41.672 41.059 1.00 48.50  ? 33  ARG B NH1   1 
ATOM   1650 N NH2   . ARG B 1 35  ? -5.058  41.977 38.791 1.00 50.62  ? 33  ARG B NH2   1 
ATOM   1651 N N     . TRP B 1 36  ? -0.312  45.499 45.531 1.00 40.56  ? 34  TRP B N     1 
ATOM   1652 C CA    . TRP B 1 36  ? 0.031   46.087 46.821 1.00 41.43  ? 34  TRP B CA    1 
ATOM   1653 C C     . TRP B 1 36  ? 1.494   46.510 46.836 1.00 38.62  ? 34  TRP B C     1 
ATOM   1654 O O     . TRP B 1 36  ? 2.387   45.681 46.617 1.00 35.86  ? 34  TRP B O     1 
ATOM   1655 C CB    . TRP B 1 36  ? -0.218  45.086 47.961 1.00 46.77  ? 34  TRP B CB    1 
ATOM   1656 C CG    . TRP B 1 36  ? -1.599  45.143 48.565 1.00 49.93  ? 34  TRP B CG    1 
ATOM   1657 C CD1   . TRP B 1 36  ? -2.539  44.151 48.558 1.00 49.33  ? 34  TRP B CD1   1 
ATOM   1658 C CD2   . TRP B 1 36  ? -2.187  46.254 49.265 1.00 48.48  ? 34  TRP B CD2   1 
ATOM   1659 N NE1   . TRP B 1 36  ? -3.674  44.581 49.208 1.00 55.70  ? 34  TRP B NE1   1 
ATOM   1660 C CE2   . TRP B 1 36  ? -3.480  45.865 49.650 1.00 52.19  ? 34  TRP B CE2   1 
ATOM   1661 C CE3   . TRP B 1 36  ? -1.744  47.542 49.593 1.00 46.26  ? 34  TRP B CE3   1 
ATOM   1662 C CZ2   . TRP B 1 36  ? -4.333  46.717 50.352 1.00 56.16  ? 34  TRP B CZ2   1 
ATOM   1663 C CZ3   . TRP B 1 36  ? -2.596  48.385 50.287 1.00 46.95  ? 34  TRP B CZ3   1 
ATOM   1664 C CH2   . TRP B 1 36  ? -3.872  47.970 50.658 1.00 49.91  ? 34  TRP B CH2   1 
ATOM   1665 N N     . ALA B 1 37  ? 1.738   47.772 47.185 1.00 37.35  ? 35  ALA B N     1 
ATOM   1666 C CA    . ALA B 1 37  ? 3.093   48.290 47.275 1.00 38.07  ? 35  ALA B CA    1 
ATOM   1667 C C     . ALA B 1 37  ? 3.222   49.212 48.481 1.00 41.80  ? 35  ALA B C     1 
ATOM   1668 O O     . ALA B 1 37  ? 2.228   49.626 49.092 1.00 43.43  ? 35  ALA B O     1 
ATOM   1669 C CB    . ALA B 1 37  ? 3.483   49.043 46.012 1.00 37.96  ? 35  ALA B CB    1 
ATOM   1670 N N     . VAL B 1 38  ? 4.464   49.564 48.798 1.00 36.99  ? 36  VAL B N     1 
ATOM   1671 C CA    . VAL B 1 38  ? 4.780   50.267 50.031 1.00 41.52  ? 36  VAL B CA    1 
ATOM   1672 C C     . VAL B 1 38  ? 5.568   51.516 49.680 1.00 41.77  ? 36  VAL B C     1 
ATOM   1673 O O     . VAL B 1 38  ? 6.374   51.508 48.750 1.00 42.71  ? 36  VAL B O     1 
ATOM   1674 C CB    . VAL B 1 38  ? 5.553   49.357 51.023 1.00 41.39  ? 36  VAL B CB    1 
ATOM   1675 C CG1   . VAL B 1 38  ? 6.881   48.904 50.418 1.00 40.31  ? 36  VAL B CG1   1 
ATOM   1676 C CG2   . VAL B 1 38  ? 5.782   50.066 52.333 1.00 38.89  ? 36  VAL B CG2   1 
ATOM   1677 N N     . LEU B 1 39  ? 5.315   52.595 50.406 1.00 45.21  ? 37  LEU B N     1 
ATOM   1678 C CA    . LEU B 1 39  ? 5.976   53.867 50.188 1.00 45.46  ? 37  LEU B CA    1 
ATOM   1679 C C     . LEU B 1 39  ? 6.364   54.443 51.541 1.00 48.48  ? 37  LEU B C     1 
ATOM   1680 O O     . LEU B 1 39  ? 5.730   54.122 52.558 1.00 47.52  ? 37  LEU B O     1 
ATOM   1681 C CB    . LEU B 1 39  ? 5.039   54.839 49.459 1.00 44.61  ? 37  LEU B CB    1 
ATOM   1682 C CG    . LEU B 1 39  ? 5.339   55.365 48.069 1.00 42.10  ? 37  LEU B CG    1 
ATOM   1683 C CD1   . LEU B 1 39  ? 4.134   55.415 47.193 1.00 37.92  ? 37  LEU B CD1   1 
ATOM   1684 C CD2   . LEU B 1 39  ? 5.816   56.744 48.257 1.00 49.91  ? 37  LEU B CD2   1 
ATOM   1685 N N     . PRO B 1 40  ? 7.420   55.262 51.597 1.00 48.27  ? 38  PRO B N     1 
ATOM   1686 C CA    . PRO B 1 40  ? 7.655   56.058 52.806 1.00 48.46  ? 38  PRO B CA    1 
ATOM   1687 C C     . PRO B 1 40  ? 6.412   56.867 53.091 1.00 52.44  ? 38  PRO B C     1 
ATOM   1688 O O     . PRO B 1 40  ? 5.973   57.630 52.235 1.00 56.53  ? 38  PRO B O     1 
ATOM   1689 C CB    . PRO B 1 40  ? 8.817   56.973 52.416 1.00 50.31  ? 38  PRO B CB    1 
ATOM   1690 C CG    . PRO B 1 40  ? 9.411   56.408 51.211 1.00 49.68  ? 38  PRO B CG    1 
ATOM   1691 C CD    . PRO B 1 40  ? 8.568   55.296 50.678 1.00 49.13  ? 38  PRO B CD    1 
ATOM   1692 N N     . ARG B 1 41  ? 5.889   56.758 54.320 1.00 55.95  ? 39  ARG B N     1 
ATOM   1693 C CA    . ARG B 1 41  ? 4.656   57.456 54.693 1.00 56.43  ? 39  ARG B CA    1 
ATOM   1694 C C     . ARG B 1 41  ? 4.677   58.931 54.314 1.00 61.77  ? 39  ARG B C     1 
ATOM   1695 O O     . ARG B 1 41  ? 3.614   59.518 54.102 1.00 66.13  ? 39  ARG B O     1 
ATOM   1696 C CB    . ARG B 1 41  ? 4.442   57.305 56.197 1.00 56.97  ? 39  ARG B CB    1 
ATOM   1697 C CG    . ARG B 1 41  ? 2.982   57.203 56.702 1.00 59.12  ? 39  ARG B CG    1 
ATOM   1698 C CD    . ARG B 1 41  ? 2.944   57.586 58.196 1.00 60.68  ? 39  ARG B CD    1 
ATOM   1699 N NE    . ARG B 1 41  ? 3.715   58.810 58.394 1.00 68.14  ? 39  ARG B NE    1 
ATOM   1700 C CZ    . ARG B 1 41  ? 3.198   59.991 58.708 1.00 72.79  ? 39  ARG B CZ    1 
ATOM   1701 N NH1   . ARG B 1 41  ? 1.922   60.117 59.057 1.00 73.53  ? 39  ARG B NH1   1 
ATOM   1702 N NH2   . ARG B 1 41  ? 3.974   61.074 58.647 1.00 75.49  ? 39  ARG B NH2   1 
ATOM   1703 N N     . HIS B 1 42  ? 5.879   59.503 54.169 1.00 63.00  ? 40  HIS B N     1 
ATOM   1704 C CA    . HIS B 1 42  ? 6.087   60.937 53.967 1.00 67.82  ? 40  HIS B CA    1 
ATOM   1705 C C     . HIS B 1 42  ? 5.513   61.456 52.650 1.00 67.48  ? 40  HIS B C     1 
ATOM   1706 O O     . HIS B 1 42  ? 5.107   62.620 52.581 1.00 67.39  ? 40  HIS B O     1 
ATOM   1707 C CB    . HIS B 1 42  ? 7.595   61.227 54.025 1.00 68.50  ? 40  HIS B CB    1 
ATOM   1708 C CG    . HIS B 1 42  ? 7.927   62.684 54.160 1.00 73.90  ? 40  HIS B CG    1 
ATOM   1709 N ND1   . HIS B 1 42  ? 7.558   63.620 53.215 1.00 73.84  ? 40  HIS B ND1   1 
ATOM   1710 C CD2   . HIS B 1 42  ? 8.553   63.371 55.149 1.00 74.57  ? 40  HIS B CD2   1 
ATOM   1711 C CE1   . HIS B 1 42  ? 7.961   64.817 53.607 1.00 78.48  ? 40  HIS B CE1   1 
ATOM   1712 N NE2   . HIS B 1 42  ? 8.566   64.694 54.778 1.00 77.21  ? 40  HIS B NE2   1 
ATOM   1713 N N     . ALA B 1 43  ? 5.470   60.614 51.606 1.00 69.69  ? 41  ALA B N     1 
ATOM   1714 C CA    . ALA B 1 43  ? 5.032   61.040 50.271 1.00 69.39  ? 41  ALA B CA    1 
ATOM   1715 C C     . ALA B 1 43  ? 3.577   61.478 50.271 1.00 71.45  ? 41  ALA B C     1 
ATOM   1716 O O     . ALA B 1 43  ? 3.204   62.448 49.602 1.00 70.10  ? 41  ALA B O     1 
ATOM   1717 C CB    . ALA B 1 43  ? 5.182   59.888 49.283 1.00 64.17  ? 41  ALA B CB    1 
ATOM   1718 N N     . LYS B 1 44  ? 2.756   60.723 51.013 1.00 86.77  ? 42  LYS B N     1 
ATOM   1719 C CA    . LYS B 1 44  ? 1.366   60.601 51.346 1.00 86.87  ? 42  LYS B CA    1 
ATOM   1720 C C     . LYS B 1 44  ? 0.602   60.737 50.058 1.00 86.67  ? 42  LYS B C     1 
ATOM   1721 O O     . LYS B 1 44  ? 0.386   61.865 49.588 1.00 87.21  ? 42  LYS B O     1 
ATOM   1722 C CB    . LYS B 1 44  ? 0.953   61.549 52.437 1.00 87.77  ? 42  LYS B CB    1 
ATOM   1723 C CG    . LYS B 1 44  ? 2.004   61.642 53.352 1.00 88.06  ? 42  LYS B CG    1 
ATOM   1724 C CD    . LYS B 1 44  ? 1.475   62.336 54.582 1.00 91.06  ? 42  LYS B CD    1 
ATOM   1725 C CE    . LYS B 1 44  ? 0.326   61.283 55.133 1.00 91.84  ? 42  LYS B CE    1 
ATOM   1726 N NZ    . LYS B 1 44  ? 0.846   60.810 56.475 1.00 89.39  ? 42  LYS B NZ    1 
ATOM   1727 N N     . PRO B 1 45  ? 0.412   59.613 49.371 1.00 67.69  ? 43  PRO B N     1 
ATOM   1728 C CA    . PRO B 1 45  ? -0.164  59.620 48.025 1.00 62.18  ? 43  PRO B CA    1 
ATOM   1729 C C     . PRO B 1 45  ? -1.515  60.329 47.952 1.00 60.67  ? 43  PRO B C     1 
ATOM   1730 O O     . PRO B 1 45  ? -2.346  60.201 48.851 1.00 62.32  ? 43  PRO B O     1 
ATOM   1731 C CB    . PRO B 1 45  ? -0.332  58.136 47.713 1.00 56.67  ? 43  PRO B CB    1 
ATOM   1732 C CG    . PRO B 1 45  ? 0.483   57.412 48.705 1.00 56.67  ? 43  PRO B CG    1 
ATOM   1733 C CD    . PRO B 1 45  ? 0.615   58.249 49.904 1.00 62.70  ? 43  PRO B CD    1 
ATOM   1734 N N     . GLY B 1 46  ? -1.752  61.048 46.854 1.00 57.32  ? 44  GLY B N     1 
ATOM   1735 C CA    . GLY B 1 46  ? -3.056  61.611 46.573 1.00 51.43  ? 44  GLY B CA    1 
ATOM   1736 C C     . GLY B 1 46  ? -4.009  60.588 45.974 1.00 44.44  ? 44  GLY B C     1 
ATOM   1737 O O     . GLY B 1 46  ? -3.787  59.379 46.071 1.00 41.38  ? 44  GLY B O     1 
ATOM   1738 N N     . PRO B 1 47  ? -5.080  61.042 45.321 1.00 46.23  ? 45  PRO B N     1 
ATOM   1739 C CA    . PRO B 1 47  ? -5.992  60.064 44.714 1.00 47.09  ? 45  PRO B CA    1 
ATOM   1740 C C     . PRO B 1 47  ? -5.362  59.352 43.534 1.00 46.40  ? 45  PRO B C     1 
ATOM   1741 O O     . PRO B 1 47  ? -5.737  58.201 43.261 1.00 45.95  ? 45  PRO B O     1 
ATOM   1742 C CB    . PRO B 1 47  ? -7.208  60.911 44.294 1.00 42.63  ? 45  PRO B CB    1 
ATOM   1743 C CG    . PRO B 1 47  ? -6.991  62.273 44.907 1.00 44.48  ? 45  PRO B CG    1 
ATOM   1744 C CD    . PRO B 1 47  ? -5.488  62.418 45.012 1.00 46.88  ? 45  PRO B CD    1 
ATOM   1745 N N     . THR B 1 48  ? -4.413  60.006 42.833 1.00 47.27  ? 46  THR B N     1 
ATOM   1746 C CA    . THR B 1 48  ? -3.580  59.387 41.805 1.00 44.48  ? 46  THR B CA    1 
ATOM   1747 C C     . THR B 1 48  ? -2.118  59.737 42.026 1.00 43.55  ? 46  THR B C     1 
ATOM   1748 O O     . THR B 1 48  ? -1.795  60.772 42.622 1.00 44.47  ? 46  THR B O     1 
ATOM   1749 C CB    . THR B 1 48  ? -3.948  59.817 40.412 1.00 42.38  ? 46  THR B CB    1 
ATOM   1750 O OG1   . THR B 1 48  ? -3.941  61.250 40.348 1.00 41.82  ? 46  THR B OG1   1 
ATOM   1751 C CG2   . THR B 1 48  ? -5.302  59.266 40.052 1.00 43.69  ? 46  THR B CG2   1 
ATOM   1752 N N     . ILE B 1 49  ? -1.241  58.859 41.530 1.00 45.37  ? 47  ILE B N     1 
ATOM   1753 C CA    . ILE B 1 49  ? 0.206   59.061 41.558 1.00 47.41  ? 47  ILE B CA    1 
ATOM   1754 C C     . ILE B 1 49  ? 0.781   58.724 40.189 1.00 44.17  ? 47  ILE B C     1 
ATOM   1755 O O     . ILE B 1 49  ? 0.271   57.845 39.493 1.00 44.63  ? 47  ILE B O     1 
ATOM   1756 C CB    . ILE B 1 49  ? 0.876   58.203 42.668 1.00 44.79  ? 47  ILE B CB    1 
ATOM   1757 C CG1   . ILE B 1 49  ? 0.535   56.714 42.477 1.00 42.15  ? 47  ILE B CG1   1 
ATOM   1758 C CG2   . ILE B 1 49  ? 0.449   58.696 44.055 1.00 42.51  ? 47  ILE B CG2   1 
ATOM   1759 C CD1   . ILE B 1 49  ? 1.628   55.763 42.919 1.00 38.36  ? 47  ILE B CD1   1 
ATOM   1760 N N     . LEU B 1 50  ? 1.847   59.417 39.794 1.00 46.15  ? 48  LEU B N     1 
ATOM   1761 C CA    . LEU B 1 50  ? 2.571   59.044 38.572 1.00 47.41  ? 48  LEU B CA    1 
ATOM   1762 C C     . LEU B 1 50  ? 3.495   57.864 38.868 1.00 47.39  ? 48  LEU B C     1 
ATOM   1763 O O     . LEU B 1 50  ? 4.447   58.004 39.647 1.00 47.55  ? 48  LEU B O     1 
ATOM   1764 C CB    . LEU B 1 50  ? 3.370   60.224 38.010 1.00 46.66  ? 48  LEU B CB    1 
ATOM   1765 C CG    . LEU B 1 50  ? 2.643   61.534 37.651 1.00 46.78  ? 48  LEU B CG    1 
ATOM   1766 C CD1   . LEU B 1 50  ? 3.577   62.738 37.645 1.00 48.86  ? 48  LEU B CD1   1 
ATOM   1767 C CD2   . LEU B 1 50  ? 1.871   61.441 36.335 1.00 47.79  ? 48  LEU B CD2   1 
ATOM   1768 N N     . MET B 1 51  ? 3.222   56.690 38.281 1.00 46.06  ? 49  MET B N     1 
ATOM   1769 C CA    . MET B 1 51  ? 4.104   55.539 38.445 1.00 45.42  ? 49  MET B CA    1 
ATOM   1770 C C     . MET B 1 51  ? 4.863   55.281 37.141 1.00 46.78  ? 49  MET B C     1 
ATOM   1771 O O     . MET B 1 51  ? 4.255   54.935 36.123 1.00 49.99  ? 49  MET B O     1 
ATOM   1772 C CB    . MET B 1 51  ? 3.316   54.303 38.866 1.00 40.81  ? 49  MET B CB    1 
ATOM   1773 C CG    . MET B 1 51  ? 4.232   53.137 39.171 1.00 42.59  ? 49  MET B CG    1 
ATOM   1774 S SD    . MET B 1 51  ? 3.477   51.497 39.219 1.00 40.29  ? 49  MET B SD    1 
ATOM   1775 C CE    . MET B 1 51  ? 1.761   51.941 39.081 1.00 45.36  ? 49  MET B CE    1 
ATOM   1776 N N     . ASN B 1 52  ? 6.190   55.444 37.175 1.00 47.07  ? 50  ASN B N     1 
ATOM   1777 C CA    . ASN B 1 52  ? 7.028   55.343 35.978 1.00 45.60  ? 50  ASN B CA    1 
ATOM   1778 C C     . ASN B 1 52  ? 6.497   56.291 34.909 1.00 51.74  ? 50  ASN B C     1 
ATOM   1779 O O     . ASN B 1 52  ? 6.461   55.975 33.716 1.00 53.78  ? 50  ASN B O     1 
ATOM   1780 C CB    . ASN B 1 52  ? 7.095   53.907 35.455 1.00 45.86  ? 50  ASN B CB    1 
ATOM   1781 C CG    . ASN B 1 52  ? 7.982   53.018 36.290 1.00 43.54  ? 50  ASN B CG    1 
ATOM   1782 O OD1   . ASN B 1 52  ? 8.987   53.462 36.836 1.00 44.64  ? 50  ASN B OD1   1 
ATOM   1783 N ND2   . ASN B 1 52  ? 7.617   51.746 36.393 1.00 44.86  ? 50  ASN B ND2   1 
ATOM   1784 N N     . ASP B 1 53  ? 6.010   57.443 35.367 1.00 53.30  ? 51  ASP B N     1 
ATOM   1785 C CA    . ASP B 1 53  ? 5.426   58.537 34.592 1.00 53.41  ? 51  ASP B CA    1 
ATOM   1786 C C     . ASP B 1 53  ? 4.054   58.224 33.983 1.00 52.89  ? 51  ASP B C     1 
ATOM   1787 O O     . ASP B 1 53  ? 3.481   59.090 33.307 1.00 53.47  ? 51  ASP B O     1 
ATOM   1788 C CB    . ASP B 1 53  ? 6.383   59.027 33.499 1.00 58.76  ? 51  ASP B CB    1 
ATOM   1789 C CG    . ASP B 1 53  ? 6.524   60.535 33.508 1.00 65.50  ? 51  ASP B CG    1 
ATOM   1790 O OD1   . ASP B 1 53  ? 7.683   61.025 33.488 1.00 65.76  ? 51  ASP B OD1   1 
ATOM   1791 O OD2   . ASP B 1 53  ? 5.467   61.217 33.559 1.00 68.29  ? 51  ASP B OD2   1 
ATOM   1792 N N     . GLN B 1 54  ? 3.483   57.050 34.236 1.00 49.68  ? 52  GLN B N     1 
ATOM   1793 C CA    . GLN B 1 54  ? 2.110   56.760 33.840 1.00 48.13  ? 52  GLN B CA    1 
ATOM   1794 C C     . GLN B 1 54  ? 1.208   56.865 35.067 1.00 47.92  ? 52  GLN B C     1 
ATOM   1795 O O     . GLN B 1 54  ? 1.396   56.136 36.042 1.00 47.42  ? 52  GLN B O     1 
ATOM   1796 C CB    . GLN B 1 54  ? 2.022   55.384 33.186 1.00 50.28  ? 52  GLN B CB    1 
ATOM   1797 C CG    . GLN B 1 54  ? 3.093   55.226 32.109 1.00 54.70  ? 52  GLN B CG    1 
ATOM   1798 C CD    . GLN B 1 54  ? 3.524   53.790 31.856 1.00 59.50  ? 52  GLN B CD    1 
ATOM   1799 O OE1   . GLN B 1 54  ? 2.687   52.881 31.727 1.00 55.96  ? 52  GLN B OE1   1 
ATOM   1800 N NE2   . GLN B 1 54  ? 4.849   53.571 31.815 1.00 63.66  ? 52  GLN B NE2   1 
ATOM   1801 N N     . GLU B 1 55  ? 0.254   57.799 35.022 1.00 45.41  ? 53  GLU B N     1 
ATOM   1802 C CA    . GLU B 1 55  ? -0.644  58.084 36.144 1.00 44.22  ? 53  GLU B CA    1 
ATOM   1803 C C     . GLU B 1 55  ? -1.529  56.889 36.484 1.00 43.31  ? 53  GLU B C     1 
ATOM   1804 O O     . GLU B 1 55  ? -2.146  56.290 35.597 1.00 39.28  ? 53  GLU B O     1 
ATOM   1805 C CB    . GLU B 1 55  ? -1.519  59.297 35.830 1.00 40.61  ? 53  GLU B CB    1 
ATOM   1806 C CG    . GLU B 1 55  ? -2.149  59.880 37.060 1.00 43.97  ? 53  GLU B CG    1 
ATOM   1807 C CD    . GLU B 1 55  ? -3.210  60.934 36.774 1.00 48.08  ? 53  GLU B CD    1 
ATOM   1808 O OE1   . GLU B 1 55  ? -2.807  62.013 36.276 1.00 53.78  ? 53  GLU B OE1   1 
ATOM   1809 O OE2   . GLU B 1 55  ? -4.417  60.716 37.093 1.00 44.97  ? 53  GLU B OE2   1 
ATOM   1810 N N     . VAL B 1 56  ? -1.593  56.556 37.787 1.00 43.74  ? 54  VAL B N     1 
ATOM   1811 C CA    . VAL B 1 56  ? -2.347  55.424 38.319 1.00 45.92  ? 54  VAL B CA    1 
ATOM   1812 C C     . VAL B 1 56  ? -3.216  55.856 39.493 1.00 45.15  ? 54  VAL B C     1 
ATOM   1813 O O     . VAL B 1 56  ? -2.869  56.759 40.261 1.00 44.32  ? 54  VAL B O     1 
ATOM   1814 C CB    . VAL B 1 56  ? -1.418  54.260 38.733 1.00 43.61  ? 54  VAL B CB    1 
ATOM   1815 C CG1   . VAL B 1 56  ? -2.222  53.048 39.167 1.00 43.83  ? 54  VAL B CG1   1 
ATOM   1816 C CG2   . VAL B 1 56  ? -0.560  53.867 37.559 1.00 47.74  ? 54  VAL B CG2   1 
ATOM   1817 N N     . ALA B 1 57  ? -4.379  55.213 39.593 1.00 53.64  ? 55  ALA B N     1 
ATOM   1818 C CA    . ALA B 1 57  ? -5.320  55.420 40.687 1.00 53.85  ? 55  ALA B CA    1 
ATOM   1819 C C     . ALA B 1 57  ? -4.938  54.532 41.868 1.00 53.81  ? 55  ALA B C     1 
ATOM   1820 O O     . ALA B 1 57  ? -4.497  53.388 41.682 1.00 53.45  ? 55  ALA B O     1 
ATOM   1821 C CB    . ALA B 1 57  ? -6.746  55.094 40.240 1.00 54.09  ? 55  ALA B CB    1 
ATOM   1822 N N     . VAL B 1 58  ? -5.060  55.074 43.083 1.00 49.88  ? 56  VAL B N     1 
ATOM   1823 C CA    . VAL B 1 58  ? -4.710  54.349 44.297 1.00 48.83  ? 56  VAL B CA    1 
ATOM   1824 C C     . VAL B 1 58  ? -5.998  54.050 45.067 1.00 49.61  ? 56  VAL B C     1 
ATOM   1825 O O     . VAL B 1 58  ? -6.721  54.969 45.470 1.00 49.51  ? 56  VAL B O     1 
ATOM   1826 C CB    . VAL B 1 58  ? -3.676  55.137 45.117 1.00 49.11  ? 56  VAL B CB    1 
ATOM   1827 C CG1   . VAL B 1 58  ? -4.017  56.605 45.139 1.00 46.24  ? 56  VAL B CG1   1 
ATOM   1828 C CG2   . VAL B 1 58  ? -3.534  54.572 46.505 1.00 49.54  ? 56  VAL B CG2   1 
ATOM   1829 N N     . LEU B 1 59  ? -6.291  52.762 45.263 1.00 48.87  ? 57  LEU B N     1 
ATOM   1830 C CA    . LEU B 1 59  ? -7.532  52.308 45.891 1.00 48.71  ? 57  LEU B CA    1 
ATOM   1831 C C     . LEU B 1 59  ? -7.480  52.249 47.427 1.00 52.03  ? 57  LEU B C     1 
ATOM   1832 O O     . LEU B 1 59  ? -8.534  52.071 48.059 1.00 54.18  ? 57  LEU B O     1 
ATOM   1833 C CB    . LEU B 1 59  ? -7.926  50.944 45.314 1.00 48.54  ? 57  LEU B CB    1 
ATOM   1834 C CG    . LEU B 1 59  ? -8.313  51.001 43.823 1.00 48.36  ? 57  LEU B CG    1 
ATOM   1835 C CD1   . LEU B 1 59  ? -9.134  49.774 43.345 1.00 46.94  ? 57  LEU B CD1   1 
ATOM   1836 C CD2   . LEU B 1 59  ? -9.058  52.295 43.494 1.00 47.67  ? 57  LEU B CD2   1 
ATOM   1837 N N     . ALA B 1 60  ? -6.291  52.347 48.038 1.00 50.90  ? 58  ALA B N     1 
ATOM   1838 C CA    . ALA B 1 60  ? -6.107  52.370 49.489 1.00 46.55  ? 58  ALA B CA    1 
ATOM   1839 C C     . ALA B 1 60  ? -4.741  52.961 49.809 1.00 46.13  ? 58  ALA B C     1 
ATOM   1840 O O     . ALA B 1 60  ? -3.844  52.953 48.970 1.00 48.52  ? 58  ALA B O     1 
ATOM   1841 C CB    . ALA B 1 60  ? -6.212  50.965 50.089 1.00 48.65  ? 58  ALA B CB    1 
ATOM   1842 N N     . ALA B 1 61  ? -4.588  53.484 51.033 1.00 46.37  ? 59  ALA B N     1 
ATOM   1843 C CA    . ALA B 1 61  ? -3.279  53.945 51.526 1.00 44.27  ? 59  ALA B CA    1 
ATOM   1844 C C     . ALA B 1 61  ? -3.314  53.876 53.049 1.00 46.67  ? 59  ALA B C     1 
ATOM   1845 O O     . ALA B 1 61  ? -3.701  54.858 53.694 1.00 47.03  ? 59  ALA B O     1 
ATOM   1846 C CB    . ALA B 1 61  ? -2.964  55.362 51.067 1.00 43.93  ? 59  ALA B CB    1 
ATOM   1847 N N     . LYS B 1 62  ? -2.813  52.771 53.618 1.00 46.60  ? 60  LYS B N     1 
ATOM   1848 C CA    . LYS B 1 62  ? -2.820  52.578 55.063 1.00 45.22  ? 60  LYS B CA    1 
ATOM   1849 C C     . LYS B 1 62  ? -1.506  53.080 55.636 1.00 45.56  ? 60  LYS B C     1 
ATOM   1850 O O     . LYS B 1 62  ? -0.448  52.518 55.347 1.00 46.77  ? 60  LYS B O     1 
ATOM   1851 C CB    . LYS B 1 62  ? -3.004  51.106 55.437 1.00 44.70  ? 60  LYS B CB    1 
ATOM   1852 C CG    . LYS B 1 62  ? -4.172  50.407 54.781 1.00 45.66  ? 60  LYS B CG    1 
ATOM   1853 C CD    . LYS B 1 62  ? -3.700  49.138 54.053 1.00 46.60  ? 60  LYS B CD    1 
ATOM   1854 C CE    . LYS B 1 62  ? -4.064  47.815 54.777 1.00 47.88  ? 60  LYS B CE    1 
ATOM   1855 N NZ    . LYS B 1 62  ? -3.462  46.603 54.058 1.00 42.83  ? 60  LYS B NZ    1 
ATOM   1856 N N     . GLU B 1 63  ? -1.583  54.112 56.469 1.00 48.59  ? 61  GLU B N     1 
ATOM   1857 C CA    . GLU B 1 63  ? -0.432  54.546 57.248 1.00 52.57  ? 61  GLU B CA    1 
ATOM   1858 C C     . GLU B 1 63  ? -0.162  53.553 58.381 1.00 52.71  ? 61  GLU B C     1 
ATOM   1859 O O     . GLU B 1 63  ? -1.052  53.267 59.196 1.00 50.80  ? 61  GLU B O     1 
ATOM   1860 C CB    . GLU B 1 63  ? -0.681  55.953 57.786 1.00 54.23  ? 61  GLU B CB    1 
ATOM   1861 C CG    . GLU B 1 63  ? -1.470  56.858 56.838 1.00 53.40  ? 61  GLU B CG    1 
ATOM   1862 C CD    . GLU B 1 63  ? -0.967  58.298 56.839 1.00 61.79  ? 61  GLU B CD    1 
ATOM   1863 O OE1   . GLU B 1 63  ? -0.080  58.634 57.653 1.00 67.13  ? 61  GLU B OE1   1 
ATOM   1864 O OE2   . GLU B 1 63  ? -1.459  59.097 56.023 1.00 65.43  ? 61  GLU B OE2   1 
ATOM   1865 N N     . LEU B 1 64  ? 1.064   53.019 58.426 1.00 52.28  ? 62  LEU B N     1 
ATOM   1866 C CA    . LEU B 1 64  ? 1.368   51.862 59.272 1.00 53.81  ? 62  LEU B CA    1 
ATOM   1867 C C     . LEU B 1 64  ? 1.622   52.241 60.738 1.00 57.15  ? 62  LEU B C     1 
ATOM   1868 O O     . LEU B 1 64  ? 2.367   53.183 61.028 1.00 57.43  ? 62  LEU B O     1 
ATOM   1869 C CB    . LEU B 1 64  ? 2.579   51.124 58.699 1.00 51.65  ? 62  LEU B CB    1 
ATOM   1870 C CG    . LEU B 1 64  ? 2.184   50.158 57.582 1.00 50.92  ? 62  LEU B CG    1 
ATOM   1871 C CD1   . LEU B 1 64  ? 3.346   49.281 57.163 1.00 50.40  ? 62  LEU B CD1   1 
ATOM   1872 C CD2   . LEU B 1 64  ? 0.984   49.315 58.018 1.00 51.11  ? 62  LEU B CD2   1 
ATOM   1873 N N     . ALA B 1 65  ? 1.034   51.478 61.670 1.00 57.67  ? 63  ALA B N     1 
ATOM   1874 C CA    . ALA B 1 65  ? 1.231   51.752 63.089 1.00 57.04  ? 63  ALA B CA    1 
ATOM   1875 C C     . ALA B 1 65  ? 1.143   50.475 63.914 1.00 58.18  ? 63  ALA B C     1 
ATOM   1876 O O     . ALA B 1 65  ? 0.332   49.593 63.622 1.00 57.72  ? 63  ALA B O     1 
ATOM   1877 C CB    . ALA B 1 65  ? 0.200   52.761 63.610 1.00 57.14  ? 63  ALA B CB    1 
ATOM   1878 N N     . ASP B 1 66  ? 1.965   50.396 64.963 1.00 57.80  ? 64  ASP B N     1 
ATOM   1879 C CA    . ASP B 1 66  ? 1.933   49.257 65.873 1.00 58.21  ? 64  ASP B CA    1 
ATOM   1880 C C     . ASP B 1 66  ? 0.660   49.316 66.712 1.00 60.61  ? 64  ASP B C     1 
ATOM   1881 O O     . ASP B 1 66  ? -0.163  50.230 66.582 1.00 62.15  ? 64  ASP B O     1 
ATOM   1882 C CB    . ASP B 1 66  ? 3.168   49.238 66.773 1.00 57.68  ? 64  ASP B CB    1 
ATOM   1883 C CG    . ASP B 1 66  ? 3.022   50.158 67.976 1.00 61.71  ? 64  ASP B CG    1 
ATOM   1884 O OD1   . ASP B 1 66  ? 2.408   51.238 67.802 1.00 61.23  ? 64  ASP B OD1   1 
ATOM   1885 O OD2   . ASP B 1 66  ? 3.495   49.812 69.093 1.00 61.48  ? 64  ASP B OD2   1 
ATOM   1886 N N     . LYS B 1 67  ? 0.517   48.354 67.625 1.00 59.76  ? 65  LYS B N     1 
ATOM   1887 C CA    . LYS B 1 67  ? -0.732  48.276 68.372 1.00 60.53  ? 65  LYS B CA    1 
ATOM   1888 C C     . LYS B 1 67  ? -0.868  49.429 69.360 1.00 64.51  ? 65  LYS B C     1 
ATOM   1889 O O     . LYS B 1 67  ? -1.983  49.920 69.579 1.00 66.23  ? 65  LYS B O     1 
ATOM   1890 C CB    . LYS B 1 67  ? -0.834  46.925 69.077 1.00 59.07  ? 65  LYS B CB    1 
ATOM   1891 C CG    . LYS B 1 67  ? 0.011   45.812 68.444 1.00 56.08  ? 65  LYS B CG    1 
ATOM   1892 C CD    . LYS B 1 67  ? 0.031   44.577 69.354 1.00 56.31  ? 65  LYS B CD    1 
ATOM   1893 C CE    . LYS B 1 67  ? 0.408   44.974 70.799 1.00 53.84  ? 65  LYS B CE    1 
ATOM   1894 N NZ    . LYS B 1 67  ? 0.246   43.877 71.795 1.00 53.81  ? 65  LYS B NZ    1 
ATOM   1895 N N     . ASP B 1 68  ? 0.249   49.897 69.939 1.00 68.90  ? 66  ASP B N     1 
ATOM   1896 C CA    . ASP B 1 68  ? 0.267   51.064 70.825 1.00 65.31  ? 66  ASP B CA    1 
ATOM   1897 C C     . ASP B 1 68  ? 0.015   52.370 70.063 1.00 66.85  ? 66  ASP B C     1 
ATOM   1898 O O     . ASP B 1 68  ? -0.040  53.444 70.688 1.00 64.61  ? 66  ASP B O     1 
ATOM   1899 C CB    . ASP B 1 68  ? 1.626   51.165 71.543 1.00 65.57  ? 66  ASP B CB    1 
ATOM   1900 C CG    . ASP B 1 68  ? 1.828   50.096 72.639 1.00 74.36  ? 66  ASP B CG    1 
ATOM   1901 O OD1   . ASP B 1 68  ? 2.146   50.459 73.826 1.00 72.79  ? 66  ASP B OD1   1 
ATOM   1902 O OD2   . ASP B 1 68  ? 1.697   48.889 72.287 1.00 70.04  ? 66  ASP B OD2   1 
ATOM   1903 N N     . GLY B 1 69  ? -0.094  52.297 68.733 1.00 65.29  ? 67  GLY B N     1 
ATOM   1904 C CA    . GLY B 1 69  ? -0.402  53.441 67.909 1.00 65.80  ? 67  GLY B CA    1 
ATOM   1905 C C     . GLY B 1 69  ? 0.801   54.218 67.416 1.00 64.26  ? 67  GLY B C     1 
ATOM   1906 O O     . GLY B 1 69  ? 0.624   55.289 66.827 1.00 63.22  ? 67  GLY B O     1 
ATOM   1907 N N     . THR B 1 70  ? 2.018   53.720 67.626 1.00 63.29  ? 68  THR B N     1 
ATOM   1908 C CA    . THR B 1 70  ? 3.195   54.515 67.303 1.00 63.23  ? 68  THR B CA    1 
ATOM   1909 C C     . THR B 1 70  ? 3.552   54.356 65.826 1.00 62.02  ? 68  THR B C     1 
ATOM   1910 O O     . THR B 1 70  ? 3.275   53.325 65.200 1.00 61.20  ? 68  THR B O     1 
ATOM   1911 C CB    . THR B 1 70  ? 4.391   54.140 68.206 1.00 63.70  ? 68  THR B CB    1 
ATOM   1912 O OG1   . THR B 1 70  ? 4.475   52.720 68.392 1.00 63.30  ? 68  THR B OG1   1 
ATOM   1913 C CG2   . THR B 1 70  ? 4.256   54.800 69.595 1.00 65.14  ? 68  THR B CG2   1 
ATOM   1914 N N     . ASN B 1 71  ? 4.171   55.401 65.274 1.00 59.39  ? 69  ASN B N     1 
ATOM   1915 C CA    . ASN B 1 71  ? 4.315   55.560 63.826 1.00 54.72  ? 69  ASN B CA    1 
ATOM   1916 C C     . ASN B 1 71  ? 5.354   54.602 63.265 1.00 51.85  ? 69  ASN B C     1 
ATOM   1917 O O     . ASN B 1 71  ? 6.448   54.475 63.812 1.00 55.72  ? 69  ASN B O     1 
ATOM   1918 C CB    . ASN B 1 71  ? 4.717   57.004 63.515 1.00 52.67  ? 69  ASN B CB    1 
ATOM   1919 C CG    . ASN B 1 71  ? 5.084   57.222 62.057 1.00 53.39  ? 69  ASN B CG    1 
ATOM   1920 O OD1   . ASN B 1 71  ? 4.651   56.489 61.161 1.00 53.70  ? 69  ASN B OD1   1 
ATOM   1921 N ND2   . ASN B 1 71  ? 5.901   58.242 61.814 1.00 55.70  ? 69  ASN B ND2   1 
ATOM   1922 N N     . LEU B 1 72  ? 5.035   53.945 62.161 1.00 50.87  ? 70  LEU B N     1 
ATOM   1923 C CA    . LEU B 1 72  ? 6.016   53.091 61.501 1.00 55.16  ? 70  LEU B CA    1 
ATOM   1924 C C     . LEU B 1 72  ? 6.680   53.738 60.271 1.00 51.03  ? 70  LEU B C     1 
ATOM   1925 O O     . LEU B 1 72  ? 7.656   53.185 59.745 1.00 45.07  ? 70  LEU B O     1 
ATOM   1926 C CB    . LEU B 1 72  ? 5.350   51.755 61.136 1.00 57.31  ? 70  LEU B CB    1 
ATOM   1927 C CG    . LEU B 1 72  ? 4.834   50.967 62.347 1.00 54.11  ? 70  LEU B CG    1 
ATOM   1928 C CD1   . LEU B 1 72  ? 4.437   49.541 61.987 1.00 53.69  ? 70  LEU B CD1   1 
ATOM   1929 C CD2   . LEU B 1 72  ? 5.920   50.942 63.396 1.00 54.10  ? 70  LEU B CD2   1 
ATOM   1930 N N     . GLU B 1 73  ? 6.178   54.888 59.809 1.00 50.80  ? 71  GLU B N     1 
ATOM   1931 C CA    . GLU B 1 73  ? 6.691   55.647 58.667 1.00 51.83  ? 71  GLU B CA    1 
ATOM   1932 C C     . GLU B 1 73  ? 6.402   54.989 57.316 1.00 53.58  ? 71  GLU B C     1 
ATOM   1933 O O     . GLU B 1 73  ? 7.012   55.343 56.298 1.00 51.11  ? 71  GLU B O     1 
ATOM   1934 C CB    . GLU B 1 73  ? 8.183   55.930 58.789 1.00 46.57  ? 71  GLU B CB    1 
ATOM   1935 C CG    . GLU B 1 73  ? 8.416   57.333 59.254 1.00 51.84  ? 71  GLU B CG    1 
ATOM   1936 C CD    . GLU B 1 73  ? 7.807   58.361 58.320 1.00 53.42  ? 71  GLU B CD    1 
ATOM   1937 O OE1   . GLU B 1 73  ? 7.855   58.158 57.085 1.00 52.25  ? 71  GLU B OE1   1 
ATOM   1938 O OE2   . GLU B 1 73  ? 7.262   59.364 58.834 1.00 56.53  ? 71  GLU B OE2   1 
ATOM   1939 N N     . LEU B 1 74  ? 5.456   54.066 57.267 1.00 51.30  ? 72  LEU B N     1 
ATOM   1940 C CA    . LEU B 1 74  ? 5.148   53.352 56.048 1.00 49.57  ? 72  LEU B CA    1 
ATOM   1941 C C     . LEU B 1 74  ? 3.685   53.549 55.673 1.00 54.46  ? 72  LEU B C     1 
ATOM   1942 O O     . LEU B 1 74  ? 2.791   53.432 56.528 1.00 55.45  ? 72  LEU B O     1 
ATOM   1943 C CB    . LEU B 1 74  ? 5.450   51.872 56.222 1.00 45.46  ? 72  LEU B CB    1 
ATOM   1944 C CG    . LEU B 1 74  ? 6.925   51.555 56.218 1.00 41.92  ? 72  LEU B CG    1 
ATOM   1945 C CD1   . LEU B 1 74  ? 7.077   50.077 56.049 1.00 41.94  ? 72  LEU B CD1   1 
ATOM   1946 C CD2   . LEU B 1 74  ? 7.537   52.289 55.073 1.00 45.11  ? 72  LEU B CD2   1 
ATOM   1947 N N     . THR B 1 75  ? 3.453   53.824 54.387 1.00 51.58  ? 73  THR B N     1 
ATOM   1948 C CA    . THR B 1 75  ? 2.128   53.821 53.792 1.00 48.13  ? 73  THR B CA    1 
ATOM   1949 C C     . THR B 1 75  ? 2.048   52.586 52.913 1.00 45.50  ? 73  THR B C     1 
ATOM   1950 O O     . THR B 1 75  ? 3.011   52.260 52.215 1.00 47.57  ? 73  THR B O     1 
ATOM   1951 C CB    . THR B 1 75  ? 1.876   55.082 52.958 1.00 50.18  ? 73  THR B CB    1 
ATOM   1952 O OG1   . THR B 1 75  ? 1.890   56.258 53.790 1.00 47.43  ? 73  THR B OG1   1 
ATOM   1953 C CG2   . THR B 1 75  ? 0.547   54.972 52.237 1.00 48.38  ? 73  THR B CG2   1 
ATOM   1954 N N     . LEU B 1 76  ? 0.952   51.859 53.011 1.00 43.79  ? 74  LEU B N     1 
ATOM   1955 C CA    . LEU B 1 76  ? 0.686   50.722 52.142 1.00 44.45  ? 74  LEU B CA    1 
ATOM   1956 C C     . LEU B 1 76  ? -0.454  51.076 51.191 1.00 47.62  ? 74  LEU B C     1 
ATOM   1957 O O     . LEU B 1 76  ? -1.574  51.366 51.634 1.00 45.69  ? 74  LEU B O     1 
ATOM   1958 C CB    . LEU B 1 76  ? 0.329   49.482 52.956 1.00 44.27  ? 74  LEU B CB    1 
ATOM   1959 C CG    . LEU B 1 76  ? 1.404   48.413 52.899 1.00 43.21  ? 74  LEU B CG    1 
ATOM   1960 C CD1   . LEU B 1 76  ? 2.592   49.001 53.568 1.00 44.33  ? 74  LEU B CD1   1 
ATOM   1961 C CD2   . LEU B 1 76  ? 0.946   47.168 53.622 1.00 41.01  ? 74  LEU B CD2   1 
ATOM   1962 N N     . LEU B 1 77  ? -0.193  51.007 49.882 1.00 48.95  ? 75  LEU B N     1 
ATOM   1963 C CA    . LEU B 1 77  ? -1.198  51.387 48.898 1.00 47.90  ? 75  LEU B CA    1 
ATOM   1964 C C     . LEU B 1 77  ? -1.429  50.296 47.862 1.00 46.41  ? 75  LEU B C     1 
ATOM   1965 O O     . LEU B 1 77  ? -0.520  49.550 47.498 1.00 43.53  ? 75  LEU B O     1 
ATOM   1966 C CB    . LEU B 1 77  ? -0.834  52.706 48.226 1.00 44.42  ? 75  LEU B CB    1 
ATOM   1967 C CG    . LEU B 1 77  ? 0.611   52.928 47.860 1.00 41.71  ? 75  LEU B CG    1 
ATOM   1968 C CD1   . LEU B 1 77  ? 0.896   52.308 46.521 1.00 43.99  ? 75  LEU B CD1   1 
ATOM   1969 C CD2   . LEU B 1 77  ? 0.777   54.384 47.784 1.00 41.13  ? 75  LEU B CD2   1 
ATOM   1970 N N     . LYS B 1 78  ? -2.681  50.244 47.395 1.00 50.87  ? 76  LYS B N     1 
ATOM   1971 C CA    . LYS B 1 78  ? -3.214  49.303 46.406 1.00 50.68  ? 76  LYS B CA    1 
ATOM   1972 C C     . LYS B 1 78  ? -3.463  50.091 45.141 1.00 50.73  ? 76  LYS B C     1 
ATOM   1973 O O     . LYS B 1 78  ? -4.186  51.089 45.176 1.00 51.10  ? 76  LYS B O     1 
ATOM   1974 C CB    . LYS B 1 78  ? -4.515  48.649 46.905 1.00 50.97  ? 76  LYS B CB    1 
ATOM   1975 C CG    . LYS B 1 78  ? -5.256  47.706 45.970 1.00 53.87  ? 76  LYS B CG    1 
ATOM   1976 C CD    . LYS B 1 78  ? -5.357  46.257 46.547 1.00 59.12  ? 76  LYS B CD    1 
ATOM   1977 C CE    . LYS B 1 78  ? -6.619  45.491 45.961 1.00 76.48  ? 76  LYS B CE    1 
ATOM   1978 N NZ    . LYS B 1 78  ? -6.304  44.055 45.463 1.00 73.04  ? 76  LYS B NZ    1 
ATOM   1979 N N     . LEU B 1 79  ? -2.829  49.668 44.051 1.00 49.73  ? 77  LEU B N     1 
ATOM   1980 C CA    . LEU B 1 79  ? -2.851  50.377 42.785 1.00 47.87  ? 77  LEU B CA    1 
ATOM   1981 C C     . LEU B 1 79  ? -3.871  49.715 41.883 1.00 49.01  ? 77  LEU B C     1 
ATOM   1982 O O     . LEU B 1 79  ? -4.098  48.505 41.980 1.00 49.62  ? 77  LEU B O     1 
ATOM   1983 C CB    . LEU B 1 79  ? -1.472  50.366 42.123 1.00 47.44  ? 77  LEU B CB    1 
ATOM   1984 C CG    . LEU B 1 79  ? -0.352  50.716 43.106 1.00 48.35  ? 77  LEU B CG    1 
ATOM   1985 C CD1   . LEU B 1 79  ? 0.971   49.952 42.819 1.00 47.81  ? 77  LEU B CD1   1 
ATOM   1986 C CD2   . LEU B 1 79  ? -0.133  52.229 43.086 1.00 48.47  ? 77  LEU B CD2   1 
ATOM   1987 N N     . ASN B 1 80  ? -4.530  50.531 41.046 1.00 48.80  ? 78  ASN B N     1 
ATOM   1988 C CA    . ASN B 1 80  ? -5.461  50.039 40.029 1.00 47.43  ? 78  ASN B CA    1 
ATOM   1989 C C     . ASN B 1 80  ? -4.649  49.775 38.773 1.00 43.90  ? 78  ASN B C     1 
ATOM   1990 O O     . ASN B 1 80  ? -4.450  50.664 37.951 1.00 44.07  ? 78  ASN B O     1 
ATOM   1991 C CB    . ASN B 1 80  ? -6.583  51.039 39.761 1.00 47.60  ? 78  ASN B CB    1 
ATOM   1992 C CG    . ASN B 1 80  ? -7.872  50.356 39.269 1.00 46.01  ? 78  ASN B CG    1 
ATOM   1993 O OD1   . ASN B 1 80  ? -8.050  49.144 39.462 1.00 45.23  ? 78  ASN B OD1   1 
ATOM   1994 N ND2   . ASN B 1 80  ? -8.772  51.128 38.634 1.00 44.31  ? 78  ASN B ND2   1 
ATOM   1995 N N     . ARG B 1 81  ? -4.193  48.533 38.616 1.00 43.75  ? 79  ARG B N     1 
ATOM   1996 C CA    . ARG B 1 81  ? -3.477  48.082 37.425 1.00 45.92  ? 79  ARG B CA    1 
ATOM   1997 C C     . ARG B 1 81  ? -3.727  46.588 37.288 1.00 47.35  ? 79  ARG B C     1 
ATOM   1998 O O     . ARG B 1 81  ? -4.006  45.906 38.281 1.00 49.77  ? 79  ARG B O     1 
ATOM   1999 C CB    . ARG B 1 81  ? -1.971  48.364 37.516 1.00 47.30  ? 79  ARG B CB    1 
ATOM   2000 C CG    . ARG B 1 81  ? -1.292  47.548 38.598 1.00 49.32  ? 79  ARG B CG    1 
ATOM   2001 C CD    . ARG B 1 81  ? 0.072   48.072 38.974 1.00 47.74  ? 79  ARG B CD    1 
ATOM   2002 N NE    . ARG B 1 81  ? 1.118   47.404 38.218 1.00 49.09  ? 79  ARG B NE    1 
ATOM   2003 C CZ    . ARG B 1 81  ? 2.024   48.043 37.494 1.00 51.60  ? 79  ARG B CZ    1 
ATOM   2004 N NH1   . ARG B 1 81  ? 1.994   49.359 37.366 1.00 52.05  ? 79  ARG B NH1   1 
ATOM   2005 N NH2   . ARG B 1 81  ? 2.971   47.342 36.869 1.00 55.11  ? 79  ARG B NH2   1 
ATOM   2006 N N     . ASN B 1 82  ? -3.690  46.082 36.058 1.00 47.16  ? 80  ASN B N     1 
ATOM   2007 C CA    . ASN B 1 82  ? -3.988  44.660 35.901 1.00 51.58  ? 80  ASN B CA    1 
ATOM   2008 C C     . ASN B 1 82  ? -2.802  43.793 36.315 1.00 51.66  ? 80  ASN B C     1 
ATOM   2009 O O     . ASN B 1 82  ? -2.990  42.666 36.800 1.00 48.35  ? 80  ASN B O     1 
ATOM   2010 C CB    . ASN B 1 82  ? -4.409  44.345 34.457 1.00 51.77  ? 80  ASN B CB    1 
ATOM   2011 C CG    . ASN B 1 82  ? -4.685  42.854 34.241 1.00 54.89  ? 80  ASN B CG    1 
ATOM   2012 O OD1   . ASN B 1 82  ? -5.674  42.309 34.740 1.00 55.95  ? 80  ASN B OD1   1 
ATOM   2013 N ND2   . ASN B 1 82  ? -3.789  42.184 33.527 1.00 57.85  ? 80  ASN B ND2   1 
ATOM   2014 N N     . GLU B 1 83  ? -1.592  44.325 36.172 1.00 52.22  ? 81  GLU B N     1 
ATOM   2015 C CA    . GLU B 1 83  ? -0.382  43.581 36.459 1.00 50.92  ? 81  GLU B CA    1 
ATOM   2016 C C     . GLU B 1 83  ? -0.242  43.362 37.960 1.00 54.19  ? 81  GLU B C     1 
ATOM   2017 O O     . GLU B 1 83  ? -0.406  44.288 38.765 1.00 52.28  ? 81  GLU B O     1 
ATOM   2018 C CB    . GLU B 1 83  ? 0.832   44.331 35.893 1.00 50.31  ? 81  GLU B CB    1 
ATOM   2019 C CG    . GLU B 1 83  ? 0.732   44.680 34.382 1.00 54.54  ? 81  GLU B CG    1 
ATOM   2020 C CD    . GLU B 1 83  ? -0.121  45.945 34.082 1.00 56.65  ? 81  GLU B CD    1 
ATOM   2021 O OE1   . GLU B 1 83  ? -0.154  46.850 34.953 1.00 55.33  ? 81  GLU B OE1   1 
ATOM   2022 O OE2   . GLU B 1 83  ? -0.791  45.996 33.009 1.00 63.17  ? 81  GLU B OE2   1 
ATOM   2023 N N     . LYS B 1 84  ? 0.023   42.122 38.337 1.00 51.60  ? 82  LYS B N     1 
ATOM   2024 C CA    . LYS B 1 84  ? 0.387   41.825 39.701 1.00 47.13  ? 82  LYS B CA    1 
ATOM   2025 C C     . LYS B 1 84  ? 1.900   41.936 39.851 1.00 48.29  ? 82  LYS B C     1 
ATOM   2026 O O     . LYS B 1 84  ? 2.656   41.666 38.915 1.00 51.07  ? 82  LYS B O     1 
ATOM   2027 C CB    . LYS B 1 84  ? -0.094  40.427 40.063 1.00 48.87  ? 82  LYS B CB    1 
ATOM   2028 C CG    . LYS B 1 84  ? -1.519  40.191 39.643 1.00 50.52  ? 82  LYS B CG    1 
ATOM   2029 C CD    . LYS B 1 84  ? -2.210  39.067 40.442 1.00 51.85  ? 82  LYS B CD    1 
ATOM   2030 C CE    . LYS B 1 84  ? -1.554  37.710 40.203 1.00 55.93  ? 82  LYS B CE    1 
ATOM   2031 N NZ    . LYS B 1 84  ? -2.566  36.607 40.062 1.00 56.64  ? 82  LYS B NZ    1 
ATOM   2032 N N     . PHE B 1 85  ? 2.342   42.329 41.038 1.00 46.62  ? 83  PHE B N     1 
ATOM   2033 C CA    . PHE B 1 85  ? 3.771   42.375 41.280 1.00 43.34  ? 83  PHE B CA    1 
ATOM   2034 C C     . PHE B 1 85  ? 4.290   40.969 41.574 1.00 46.00  ? 83  PHE B C     1 
ATOM   2035 O O     . PHE B 1 85  ? 3.538   40.077 41.977 1.00 48.94  ? 83  PHE B O     1 
ATOM   2036 C CB    . PHE B 1 85  ? 4.104   43.270 42.456 1.00 39.13  ? 83  PHE B CB    1 
ATOM   2037 C CG    . PHE B 1 85  ? 3.863   44.719 42.224 1.00 37.56  ? 83  PHE B CG    1 
ATOM   2038 C CD1   . PHE B 1 85  ? 4.679   45.438 41.401 1.00 40.50  ? 83  PHE B CD1   1 
ATOM   2039 C CD2   . PHE B 1 85  ? 2.887   45.392 42.933 1.00 38.74  ? 83  PHE B CD2   1 
ATOM   2040 C CE1   . PHE B 1 85  ? 4.478   46.799 41.225 1.00 43.87  ? 83  PHE B CE1   1 
ATOM   2041 C CE2   . PHE B 1 85  ? 2.683   46.755 42.774 1.00 37.73  ? 83  PHE B CE2   1 
ATOM   2042 C CZ    . PHE B 1 85  ? 3.476   47.459 41.934 1.00 41.18  ? 83  PHE B CZ    1 
ATOM   2043 N N     . ARG B 1 86  ? 5.587   40.768 41.336 1.00 46.63  ? 84  ARG B N     1 
ATOM   2044 C CA    . ARG B 1 86  ? 6.231   39.524 41.742 1.00 45.50  ? 84  ARG B CA    1 
ATOM   2045 C C     . ARG B 1 86  ? 6.116   39.400 43.241 1.00 44.38  ? 84  ARG B C     1 
ATOM   2046 O O     . ARG B 1 86  ? 6.415   40.351 43.971 1.00 44.18  ? 84  ARG B O     1 
ATOM   2047 C CB    . ARG B 1 86  ? 7.716   39.485 41.332 1.00 45.68  ? 84  ARG B CB    1 
ATOM   2048 C CG    . ARG B 1 86  ? 8.488   38.282 41.918 1.00 42.87  ? 84  ARG B CG    1 
ATOM   2049 C CD    . ARG B 1 86  ? 9.966   38.229 41.516 1.00 42.14  ? 84  ARG B CD    1 
ATOM   2050 N NE    . ARG B 1 86  ? 10.773  39.323 42.055 1.00 39.83  ? 84  ARG B NE    1 
ATOM   2051 C CZ    . ARG B 1 86  ? 12.059  39.226 42.376 1.00 37.79  ? 84  ARG B CZ    1 
ATOM   2052 N NH1   . ARG B 1 86  ? 12.705  38.072 42.311 1.00 37.96  ? 84  ARG B NH1   1 
ATOM   2053 N NH2   . ARG B 1 86  ? 12.719  40.315 42.753 1.00 37.11  ? 84  ARG B NH2   1 
ATOM   2054 N N     . ASP B 1 87  ? 5.656   38.237 43.696 1.00 46.07  ? 85  ASP B N     1 
ATOM   2055 C CA    . ASP B 1 87  ? 5.417   37.991 45.116 1.00 45.86  ? 85  ASP B CA    1 
ATOM   2056 C C     . ASP B 1 87  ? 6.717   37.851 45.910 1.00 46.19  ? 85  ASP B C     1 
ATOM   2057 O O     . ASP B 1 87  ? 7.210   36.733 46.100 1.00 46.41  ? 85  ASP B O     1 
ATOM   2058 C CB    . ASP B 1 87  ? 4.568   36.729 45.251 1.00 44.94  ? 85  ASP B CB    1 
ATOM   2059 C CG    . ASP B 1 87  ? 4.135   36.474 46.654 1.00 46.37  ? 85  ASP B CG    1 
ATOM   2060 O OD1   . ASP B 1 87  ? 4.676   37.138 47.573 1.00 46.65  ? 85  ASP B OD1   1 
ATOM   2061 O OD2   . ASP B 1 87  ? 3.215   35.633 46.837 1.00 48.12  ? 85  ASP B OD2   1 
ATOM   2062 N N     . ILE B 1 88  ? 7.245   38.954 46.445 1.00 45.38  ? 86  ILE B N     1 
ATOM   2063 C CA    . ILE B 1 88  ? 8.525   38.902 47.147 1.00 44.54  ? 86  ILE B CA    1 
ATOM   2064 C C     . ILE B 1 88  ? 8.292   38.716 48.643 1.00 47.92  ? 86  ILE B C     1 
ATOM   2065 O O     . ILE B 1 88  ? 9.177   38.978 49.465 1.00 50.87  ? 86  ILE B O     1 
ATOM   2066 C CB    . ILE B 1 88  ? 9.359   40.159 46.856 1.00 42.06  ? 86  ILE B CB    1 
ATOM   2067 C CG1   . ILE B 1 88  ? 8.707   41.407 47.450 1.00 41.05  ? 86  ILE B CG1   1 
ATOM   2068 C CG2   . ILE B 1 88  ? 9.499   40.346 45.369 1.00 42.34  ? 86  ILE B CG2   1 
ATOM   2069 C CD1   . ILE B 1 88  ? 9.270   42.714 46.879 1.00 37.98  ? 86  ILE B CD1   1 
ATOM   2070 N N     . ARG B 1 89  ? 7.096   38.263 49.017 1.00 48.56  ? 87  ARG B N     1 
ATOM   2071 C CA    . ARG B 1 89  ? 6.796   38.110 50.437 1.00 47.26  ? 87  ARG B CA    1 
ATOM   2072 C C     . ARG B 1 89  ? 7.675   37.048 51.086 1.00 49.99  ? 87  ARG B C     1 
ATOM   2073 O O     . ARG B 1 89  ? 8.058   37.191 52.255 1.00 51.85  ? 87  ARG B O     1 
ATOM   2074 C CB    . ARG B 1 89  ? 5.315   37.795 50.613 1.00 45.12  ? 87  ARG B CB    1 
ATOM   2075 C CG    . ARG B 1 89  ? 4.409   38.988 50.285 1.00 44.57  ? 87  ARG B CG    1 
ATOM   2076 C CD    . ARG B 1 89  ? 2.970   38.616 50.502 1.00 46.27  ? 87  ARG B CD    1 
ATOM   2077 N NE    . ARG B 1 89  ? 2.777   37.226 50.102 1.00 49.39  ? 87  ARG B NE    1 
ATOM   2078 C CZ    . ARG B 1 89  ? 1.626   36.695 49.705 1.00 52.18  ? 87  ARG B CZ    1 
ATOM   2079 N NH1   . ARG B 1 89  ? 0.503   37.396 49.696 1.00 49.47  ? 87  ARG B NH1   1 
ATOM   2080 N NH2   . ARG B 1 89  ? 1.596   35.414 49.333 1.00 53.05  ? 87  ARG B NH2   1 
ATOM   2081 N N     . GLY B 1 90  ? 8.065   36.018 50.333 1.00 49.56  ? 88  GLY B N     1 
ATOM   2082 C CA    . GLY B 1 90  ? 8.998   35.026 50.846 1.00 48.28  ? 88  GLY B CA    1 
ATOM   2083 C C     . GLY B 1 90  ? 10.354  35.584 51.237 1.00 48.46  ? 88  GLY B C     1 
ATOM   2084 O O     . GLY B 1 90  ? 11.130  34.865 51.879 1.00 49.66  ? 88  GLY B O     1 
ATOM   2085 N N     . PHE B 1 91  ? 10.669  36.833 50.861 1.00 49.83  ? 89  PHE B N     1 
ATOM   2086 C CA    . PHE B 1 91  ? 11.970  37.425 51.181 1.00 53.18  ? 89  PHE B CA    1 
ATOM   2087 C C     . PHE B 1 91  ? 11.920  38.310 52.407 1.00 51.87  ? 89  PHE B C     1 
ATOM   2088 O O     . PHE B 1 91  ? 12.975  38.611 52.971 1.00 51.41  ? 89  PHE B O     1 
ATOM   2089 C CB    . PHE B 1 91  ? 12.527  38.296 50.041 1.00 51.35  ? 89  PHE B CB    1 
ATOM   2090 C CG    . PHE B 1 91  ? 12.697  37.593 48.762 1.00 45.89  ? 89  PHE B CG    1 
ATOM   2091 C CD1   . PHE B 1 91  ? 12.645  36.219 48.692 1.00 46.44  ? 89  PHE B CD1   1 
ATOM   2092 C CD2   . PHE B 1 91  ? 12.926  38.315 47.625 1.00 45.39  ? 89  PHE B CD2   1 
ATOM   2093 C CE1   . PHE B 1 91  ? 12.803  35.581 47.506 1.00 46.88  ? 89  PHE B CE1   1 
ATOM   2094 C CE2   . PHE B 1 91  ? 13.098  37.684 46.426 1.00 44.35  ? 89  PHE B CE2   1 
ATOM   2095 C CZ    . PHE B 1 91  ? 13.039  36.311 46.364 1.00 45.20  ? 89  PHE B CZ    1 
ATOM   2096 N N     . LEU B 1 92  ? 10.730  38.710 52.837 1.00 56.14  ? 90  LEU B N     1 
ATOM   2097 C CA    . LEU B 1 92  ? 10.606  39.514 54.034 1.00 57.01  ? 90  LEU B CA    1 
ATOM   2098 C C     . LEU B 1 92  ? 10.718  38.586 55.219 1.00 57.74  ? 90  LEU B C     1 
ATOM   2099 O O     . LEU B 1 92  ? 10.077  37.526 55.259 1.00 56.79  ? 90  LEU B O     1 
ATOM   2100 C CB    . LEU B 1 92  ? 9.258   40.228 54.080 1.00 55.14  ? 90  LEU B CB    1 
ATOM   2101 C CG    . LEU B 1 92  ? 8.949   41.133 52.890 1.00 54.38  ? 90  LEU B CG    1 
ATOM   2102 C CD1   . LEU B 1 92  ? 7.457   41.465 52.853 1.00 55.54  ? 90  LEU B CD1   1 
ATOM   2103 C CD2   . LEU B 1 92  ? 9.833   42.386 52.936 1.00 52.98  ? 90  LEU B CD2   1 
ATOM   2104 N N     . ALA B 1 93  ? 11.536  38.983 56.181 1.00 63.76  ? 91  ALA B N     1 
ATOM   2105 C CA    . ALA B 1 93  ? 11.592  38.173 57.375 1.00 75.60  ? 91  ALA B CA    1 
ATOM   2106 C C     . ALA B 1 93  ? 10.341  38.451 58.188 1.00 80.43  ? 91  ALA B C     1 
ATOM   2107 O O     . ALA B 1 93  ? 9.694   39.482 58.008 1.00 74.60  ? 91  ALA B O     1 
ATOM   2108 C CB    . ALA B 1 93  ? 12.839  38.485 58.186 1.00 82.64  ? 91  ALA B CB    1 
ATOM   2109 N N     . LYS B 1 94  ? 9.999   37.528 59.094 1.00 92.14  ? 92  LYS B N     1 
ATOM   2110 C CA    . LYS B 1 94  ? 8.830   37.761 59.929 1.00 103.08 ? 92  LYS B CA    1 
ATOM   2111 C C     . LYS B 1 94  ? 9.056   38.983 60.814 1.00 110.68 ? 92  LYS B C     1 
ATOM   2112 O O     . LYS B 1 94  ? 8.195   39.867 60.868 1.00 104.98 ? 92  LYS B O     1 
ATOM   2113 C CB    . LYS B 1 94  ? 8.481   36.504 60.731 1.00 102.08 ? 92  LYS B CB    1 
ATOM   2114 C CG    . LYS B 1 94  ? 7.344   36.677 61.788 1.00 108.58 ? 92  LYS B CG    1 
ATOM   2115 C CD    . LYS B 1 94  ? 6.038   37.348 61.336 1.00 97.98  ? 92  LYS B CD    1 
ATOM   2116 C CE    . LYS B 1 94  ? 4.886   36.931 62.265 1.00 94.40  ? 92  LYS B CE    1 
ATOM   2117 N NZ    . LYS B 1 94  ? 4.232   38.129 62.857 1.00 86.29  ? 92  LYS B NZ    1 
ATOM   2118 N N     . GLU B 1 95  ? 10.213  39.078 61.485 1.00 159.89 ? 93  GLU B N     1 
ATOM   2119 C CA    . GLU B 1 95  ? 10.626  40.327 62.153 1.00 159.15 ? 93  GLU B CA    1 
ATOM   2120 C C     . GLU B 1 95  ? 12.116  40.584 61.945 1.00 157.37 ? 93  GLU B C     1 
ATOM   2121 O O     . GLU B 1 95  ? 12.844  39.799 61.333 1.00 156.76 ? 93  GLU B O     1 
ATOM   2122 C CB    . GLU B 1 95  ? 10.147  40.380 63.616 1.00 160.74 ? 93  GLU B CB    1 
ATOM   2123 C CG    . GLU B 1 95  ? 8.684   40.632 63.496 1.00 162.10 ? 93  GLU B CG    1 
ATOM   2124 C CD    . GLU B 1 95  ? 7.853   39.380 63.866 1.00 170.78 ? 93  GLU B CD    1 
ATOM   2125 O OE1   . GLU B 1 95  ? 8.412   38.292 63.716 1.00 178.91 ? 93  GLU B OE1   1 
ATOM   2126 O OE2   . GLU B 1 95  ? 6.649   39.559 64.010 1.00 172.78 ? 93  GLU B OE2   1 
ATOM   2127 N N     . GLU B 1 96  ? 12.548  41.694 62.536 1.00 102.22 ? 94  GLU B N     1 
ATOM   2128 C CA    . GLU B 1 96  ? 13.733  42.434 62.121 1.00 89.44  ? 94  GLU B CA    1 
ATOM   2129 C C     . GLU B 1 96  ? 14.980  41.557 62.074 1.00 85.55  ? 94  GLU B C     1 
ATOM   2130 O O     . GLU B 1 96  ? 15.134  40.600 62.841 1.00 84.29  ? 94  GLU B O     1 
ATOM   2131 C CB    . GLU B 1 96  ? 13.940  43.628 63.046 1.00 78.72  ? 94  GLU B CB    1 
ATOM   2132 C CG    . GLU B 1 96  ? 12.948  44.745 62.750 1.00 73.32  ? 94  GLU B CG    1 
ATOM   2133 C CD    . GLU B 1 96  ? 11.915  44.971 63.850 1.00 77.16  ? 94  GLU B CD    1 
ATOM   2134 O OE1   . GLU B 1 96  ? 11.255  43.991 64.278 1.00 84.76  ? 94  GLU B OE1   1 
ATOM   2135 O OE2   . GLU B 1 96  ? 11.713  46.143 64.243 1.00 72.60  ? 94  GLU B OE2   1 
ATOM   2136 N N     . VAL B 1 97  ? 15.850  41.876 61.104 1.00 76.87  ? 95  VAL B N     1 
ATOM   2137 C CA    . VAL B 1 97  ? 17.027  41.086 60.749 1.00 71.62  ? 95  VAL B CA    1 
ATOM   2138 C C     . VAL B 1 97  ? 18.255  41.985 60.703 1.00 66.86  ? 95  VAL B C     1 
ATOM   2139 O O     . VAL B 1 97  ? 18.287  42.967 59.947 1.00 62.77  ? 95  VAL B O     1 
ATOM   2140 C CB    . VAL B 1 97  ? 16.869  40.384 59.388 1.00 73.43  ? 95  VAL B CB    1 
ATOM   2141 C CG1   . VAL B 1 97  ? 18.096  39.507 59.096 1.00 68.23  ? 95  VAL B CG1   1 
ATOM   2142 C CG2   . VAL B 1 97  ? 15.654  39.550 59.392 1.00 81.16  ? 95  VAL B CG2   1 
ATOM   2143 N N     . GLU B 1 98  ? 19.283  41.606 61.458 1.00 63.77  ? 96  GLU B N     1 
ATOM   2144 C CA    . GLU B 1 98  ? 20.593  42.223 61.355 1.00 59.92  ? 96  GLU B CA    1 
ATOM   2145 C C     . GLU B 1 98  ? 21.372  41.547 60.218 1.00 58.01  ? 96  GLU B C     1 
ATOM   2146 O O     . GLU B 1 98  ? 21.178  40.360 59.934 1.00 56.64  ? 96  GLU B O     1 
ATOM   2147 C CB    . GLU B 1 98  ? 21.314  42.099 62.693 1.00 58.46  ? 96  GLU B CB    1 
ATOM   2148 C CG    . GLU B 1 98  ? 20.760  43.036 63.771 1.00 55.62  ? 96  GLU B CG    1 
ATOM   2149 C CD    . GLU B 1 98  ? 21.727  43.241 64.959 1.00 58.70  ? 96  GLU B CD    1 
ATOM   2150 O OE1   . GLU B 1 98  ? 22.507  42.316 65.319 1.00 62.51  ? 96  GLU B OE1   1 
ATOM   2151 O OE2   . GLU B 1 98  ? 21.726  44.360 65.523 1.00 56.78  ? 96  GLU B OE2   1 
ATOM   2152 N N     . VAL B 1 99  ? 22.204  42.308 59.517 1.00 56.87  ? 97  VAL B N     1 
ATOM   2153 C CA    . VAL B 1 99  ? 22.879  41.726 58.364 1.00 55.93  ? 97  VAL B CA    1 
ATOM   2154 C C     . VAL B 1 99  ? 24.250  42.378 58.214 1.00 55.85  ? 97  VAL B C     1 
ATOM   2155 O O     . VAL B 1 99  ? 24.400  43.595 58.381 1.00 54.50  ? 97  VAL B O     1 
ATOM   2156 C CB    . VAL B 1 99  ? 21.972  41.862 57.120 1.00 57.70  ? 97  VAL B CB    1 
ATOM   2157 C CG1   . VAL B 1 99  ? 22.142  43.214 56.450 1.00 56.73  ? 97  VAL B CG1   1 
ATOM   2158 C CG2   . VAL B 1 99  ? 22.167  40.699 56.131 1.00 57.04  ? 97  VAL B CG2   1 
ATOM   2159 N N     . ASN B 1 100 ? 25.252  41.551 57.884 1.00 52.84  ? 98  ASN B N     1 
ATOM   2160 C CA    . ASN B 1 100 ? 26.645  41.986 57.977 1.00 55.42  ? 98  ASN B CA    1 
ATOM   2161 C C     . ASN B 1 100 ? 27.005  42.965 56.871 1.00 58.68  ? 98  ASN B C     1 
ATOM   2162 O O     . ASN B 1 100 ? 27.740  43.934 57.103 1.00 57.46  ? 98  ASN B O     1 
ATOM   2163 C CB    . ASN B 1 100 ? 27.567  40.774 57.900 1.00 55.14  ? 98  ASN B CB    1 
ATOM   2164 C CG    . ASN B 1 100 ? 27.989  40.284 59.249 1.00 61.24  ? 98  ASN B CG    1 
ATOM   2165 O OD1   . ASN B 1 100 ? 28.402  41.068 60.108 1.00 62.86  ? 98  ASN B OD1   1 
ATOM   2166 N ND2   . ASN B 1 100 ? 27.883  38.975 59.459 1.00 63.18  ? 98  ASN B ND2   1 
ATOM   2167 N N     . GLU B 1 101 ? 26.500  42.710 55.662 1.00 57.89  ? 99  GLU B N     1 
ATOM   2168 C CA    . GLU B 1 101 ? 26.754  43.486 54.459 1.00 54.14  ? 99  GLU B CA    1 
ATOM   2169 C C     . GLU B 1 101 ? 25.418  43.572 53.755 1.00 52.81  ? 99  GLU B C     1 
ATOM   2170 O O     . GLU B 1 101 ? 24.781  42.541 53.524 1.00 53.29  ? 99  GLU B O     1 
ATOM   2171 C CB    . GLU B 1 101 ? 27.788  42.818 53.553 1.00 57.33  ? 99  GLU B CB    1 
ATOM   2172 C CG    . GLU B 1 101 ? 29.252  43.088 53.909 1.00 60.98  ? 99  GLU B CG    1 
ATOM   2173 C CD    . GLU B 1 101 ? 29.860  44.301 53.176 1.00 68.27  ? 99  GLU B CD    1 
ATOM   2174 O OE1   . GLU B 1 101 ? 29.470  44.589 52.015 1.00 67.08  ? 99  GLU B OE1   1 
ATOM   2175 O OE2   . GLU B 1 101 ? 30.771  44.942 53.756 1.00 75.10  ? 99  GLU B OE2   1 
ATOM   2176 N N     . ALA B 1 102 ? 24.994  44.792 53.436 1.00 56.38  ? 100 ALA B N     1 
ATOM   2177 C CA    . ALA B 1 102 ? 23.690  45.039 52.840 1.00 53.48  ? 100 ALA B CA    1 
ATOM   2178 C C     . ALA B 1 102 ? 23.846  46.096 51.760 1.00 51.91  ? 100 ALA B C     1 
ATOM   2179 O O     . ALA B 1 102 ? 24.845  46.819 51.731 1.00 50.89  ? 100 ALA B O     1 
ATOM   2180 C CB    . ALA B 1 102 ? 22.669  45.499 53.889 1.00 49.28  ? 100 ALA B CB    1 
ATOM   2181 N N     . VAL B 1 103 ? 22.835  46.199 50.882 1.00 51.34  ? 101 VAL B N     1 
ATOM   2182 C CA    . VAL B 1 103 ? 22.823  47.182 49.802 1.00 48.87  ? 101 VAL B CA    1 
ATOM   2183 C C     . VAL B 1 103 ? 21.520  47.959 49.836 1.00 44.43  ? 101 VAL B C     1 
ATOM   2184 O O     . VAL B 1 103 ? 20.451  47.391 50.074 1.00 44.92  ? 101 VAL B O     1 
ATOM   2185 C CB    . VAL B 1 103 ? 23.005  46.516 48.422 1.00 49.56  ? 101 VAL B CB    1 
ATOM   2186 C CG1   . VAL B 1 103 ? 21.904  45.501 48.191 1.00 45.84  ? 101 VAL B CG1   1 
ATOM   2187 C CG2   . VAL B 1 103 ? 23.038  47.571 47.302 1.00 47.34  ? 101 VAL B CG2   1 
ATOM   2188 N N     . LEU B 1 104 ? 21.618  49.263 49.634 1.00 44.33  ? 102 LEU B N     1 
ATOM   2189 C CA    . LEU B 1 104 ? 20.466  50.131 49.454 1.00 45.84  ? 102 LEU B CA    1 
ATOM   2190 C C     . LEU B 1 104 ? 20.334  50.442 47.966 1.00 49.28  ? 102 LEU B C     1 
ATOM   2191 O O     . LEU B 1 104 ? 21.298  50.911 47.346 1.00 48.57  ? 102 LEU B O     1 
ATOM   2192 C CB    . LEU B 1 104 ? 20.609  51.415 50.257 1.00 44.69  ? 102 LEU B CB    1 
ATOM   2193 C CG    . LEU B 1 104 ? 19.311  52.204 50.278 1.00 46.75  ? 102 LEU B CG    1 
ATOM   2194 C CD1   . LEU B 1 104 ? 18.303  51.560 51.214 1.00 49.20  ? 102 LEU B CD1   1 
ATOM   2195 C CD2   . LEU B 1 104 ? 19.577  53.629 50.672 1.00 49.68  ? 102 LEU B CD2   1 
ATOM   2196 N N     . ALA B 1 105 ? 19.144  50.164 47.404 1.00 48.53  ? 103 ALA B N     1 
ATOM   2197 C CA    . ALA B 1 105 ? 18.835  50.216 45.978 1.00 45.43  ? 103 ALA B CA    1 
ATOM   2198 C C     . ALA B 1 105 ? 17.803  51.303 45.666 1.00 46.55  ? 103 ALA B C     1 
ATOM   2199 O O     . ALA B 1 105 ? 16.668  51.226 46.124 1.00 47.42  ? 103 ALA B O     1 
ATOM   2200 C CB    . ALA B 1 105 ? 18.302  48.851 45.541 1.00 45.63  ? 103 ALA B CB    1 
ATOM   2201 N N     . ILE B 1 106 ? 18.165  52.255 44.810 1.00 51.54  ? 104 ILE B N     1 
ATOM   2202 C CA    . ILE B 1 106 ? 17.326  53.399 44.454 1.00 50.13  ? 104 ILE B CA    1 
ATOM   2203 C C     . ILE B 1 106 ? 17.066  53.434 42.947 1.00 52.58  ? 104 ILE B C     1 
ATOM   2204 O O     . ILE B 1 106 ? 17.957  53.129 42.135 1.00 52.96  ? 104 ILE B O     1 
ATOM   2205 C CB    . ILE B 1 106 ? 17.991  54.711 44.906 1.00 50.66  ? 104 ILE B CB    1 
ATOM   2206 C CG1   . ILE B 1 106 ? 18.641  54.504 46.274 1.00 51.80  ? 104 ILE B CG1   1 
ATOM   2207 C CG2   . ILE B 1 106 ? 17.001  55.850 44.895 1.00 53.65  ? 104 ILE B CG2   1 
ATOM   2208 C CD1   . ILE B 1 106 ? 19.209  55.754 46.866 1.00 57.88  ? 104 ILE B CD1   1 
ATOM   2209 N N     . ASN B 1 107 ? 15.820  53.826 42.583 1.00 52.31  ? 105 ASN B N     1 
ATOM   2210 C CA    . ASN B 1 107 ? 15.321  53.937 41.202 1.00 47.71  ? 105 ASN B CA    1 
ATOM   2211 C C     . ASN B 1 107 ? 14.598  55.284 41.093 1.00 49.46  ? 105 ASN B C     1 
ATOM   2212 O O     . ASN B 1 107 ? 13.375  55.334 41.049 1.00 49.30  ? 105 ASN B O     1 
ATOM   2213 C CB    . ASN B 1 107 ? 14.378  52.753 40.883 1.00 47.79  ? 105 ASN B CB    1 
ATOM   2214 C CG    . ASN B 1 107 ? 13.783  52.771 39.469 1.00 48.29  ? 105 ASN B CG    1 
ATOM   2215 O OD1   . ASN B 1 107 ? 13.680  53.808 38.801 1.00 48.64  ? 105 ASN B OD1   1 
ATOM   2216 N ND2   . ASN B 1 107 ? 13.348  51.591 39.021 1.00 48.44  ? 105 ASN B ND2   1 
ATOM   2217 N N     . THR B 1 108 ? 15.345  56.385 41.029 1.00 53.80  ? 106 THR B N     1 
ATOM   2218 C CA    . THR B 1 108 ? 14.730  57.699 40.839 1.00 59.45  ? 106 THR B CA    1 
ATOM   2219 C C     . THR B 1 108 ? 15.511  58.499 39.806 1.00 67.19  ? 106 THR B C     1 
ATOM   2220 O O     . THR B 1 108 ? 16.676  58.207 39.517 1.00 65.47  ? 106 THR B O     1 
ATOM   2221 C CB    . THR B 1 108 ? 14.643  58.501 42.143 1.00 62.14  ? 106 THR B CB    1 
ATOM   2222 O OG1   . THR B 1 108 ? 13.579  59.444 42.040 1.00 63.40  ? 106 THR B OG1   1 
ATOM   2223 C CG2   . THR B 1 108 ? 15.918  59.268 42.398 1.00 66.70  ? 106 THR B CG2   1 
ATOM   2224 N N     . SER B 1 109 ? 14.852  59.527 39.245 1.00 78.35  ? 107 SER B N     1 
ATOM   2225 C CA    . SER B 1 109 ? 15.496  60.312 38.187 1.00 78.77  ? 107 SER B CA    1 
ATOM   2226 C C     . SER B 1 109 ? 16.791  60.947 38.680 1.00 78.60  ? 107 SER B C     1 
ATOM   2227 O O     . SER B 1 109 ? 17.806  60.922 37.979 1.00 78.54  ? 107 SER B O     1 
ATOM   2228 C CB    . SER B 1 109 ? 14.549  61.392 37.655 1.00 79.78  ? 107 SER B CB    1 
ATOM   2229 O OG    . SER B 1 109 ? 14.842  62.660 38.231 1.00 80.28  ? 107 SER B OG    1 
ATOM   2230 N N     . LYS B 1 110 ? 16.783  61.501 39.898 1.00 73.02  ? 108 LYS B N     1 
ATOM   2231 C CA    . LYS B 1 110 ? 18.020  62.027 40.472 1.00 73.74  ? 108 LYS B CA    1 
ATOM   2232 C C     . LYS B 1 110 ? 19.081  60.936 40.582 1.00 70.95  ? 108 LYS B C     1 
ATOM   2233 O O     . LYS B 1 110 ? 20.243  61.152 40.220 1.00 70.93  ? 108 LYS B O     1 
ATOM   2234 C CB    . LYS B 1 110 ? 17.751  62.659 41.839 1.00 75.57  ? 108 LYS B CB    1 
ATOM   2235 C CG    . LYS B 1 110 ? 18.828  63.647 42.302 1.00 78.10  ? 108 LYS B CG    1 
ATOM   2236 C CD    . LYS B 1 110 ? 18.388  64.380 43.567 1.00 82.56  ? 108 LYS B CD    1 
ATOM   2237 C CE    . LYS B 1 110 ? 19.217  65.628 43.846 1.00 87.50  ? 108 LYS B CE    1 
ATOM   2238 N NZ    . LYS B 1 110 ? 18.524  66.522 44.842 1.00 90.59  ? 108 LYS B NZ    1 
ATOM   2239 N N     . PHE B 1 111 ? 18.694  59.757 41.085 1.00 68.49  ? 109 PHE B N     1 
ATOM   2240 C CA    . PHE B 1 111 ? 19.606  58.659 41.403 1.00 67.40  ? 109 PHE B CA    1 
ATOM   2241 C C     . PHE B 1 111 ? 19.179  57.450 40.584 1.00 63.37  ? 109 PHE B C     1 
ATOM   2242 O O     . PHE B 1 111 ? 18.473  56.555 41.073 1.00 59.02  ? 109 PHE B O     1 
ATOM   2243 C CB    . PHE B 1 111 ? 19.602  58.369 42.900 1.00 70.37  ? 109 PHE B CB    1 
ATOM   2244 C CG    . PHE B 1 111 ? 19.883  59.581 43.733 1.00 72.45  ? 109 PHE B CG    1 
ATOM   2245 C CD1   . PHE B 1 111 ? 21.191  60.007 43.941 1.00 70.59  ? 109 PHE B CD1   1 
ATOM   2246 C CD2   . PHE B 1 111 ? 18.838  60.322 44.267 1.00 73.68  ? 109 PHE B CD2   1 
ATOM   2247 C CE1   . PHE B 1 111 ? 21.455  61.130 44.674 1.00 72.52  ? 109 PHE B CE1   1 
ATOM   2248 C CE2   . PHE B 1 111 ? 19.092  61.446 45.016 1.00 78.59  ? 109 PHE B CE2   1 
ATOM   2249 C CZ    . PHE B 1 111 ? 20.404  61.855 45.218 1.00 79.29  ? 109 PHE B CZ    1 
ATOM   2250 N N     . PRO B 1 112 ? 19.578  57.402 39.342 1.00 63.46  ? 110 PRO B N     1 
ATOM   2251 C CA    . PRO B 1 112 ? 19.070  56.380 38.429 1.00 59.10  ? 110 PRO B CA    1 
ATOM   2252 C C     . PRO B 1 112 ? 19.850  55.093 38.496 1.00 53.66  ? 110 PRO B C     1 
ATOM   2253 O O     . PRO B 1 112 ? 21.041  55.104 38.199 1.00 57.71  ? 110 PRO B O     1 
ATOM   2254 C CB    . PRO B 1 112 ? 19.242  57.040 37.062 1.00 62.04  ? 110 PRO B CB    1 
ATOM   2255 C CG    . PRO B 1 112 ? 19.705  58.471 37.353 1.00 61.87  ? 110 PRO B CG    1 
ATOM   2256 C CD    . PRO B 1 112 ? 20.354  58.426 38.642 1.00 65.96  ? 110 PRO B CD    1 
ATOM   2257 N N     . ASN B 1 113 ? 19.210  53.983 38.847 1.00 53.13  ? 111 ASN B N     1 
ATOM   2258 C CA    . ASN B 1 113 ? 19.898  52.694 38.891 1.00 55.16  ? 111 ASN B CA    1 
ATOM   2259 C C     . ASN B 1 113 ? 21.026  52.673 39.936 1.00 57.27  ? 111 ASN B C     1 
ATOM   2260 O O     . ASN B 1 113 ? 22.143  52.226 39.665 1.00 55.78  ? 111 ASN B O     1 
ATOM   2261 C CB    . ASN B 1 113 ? 20.446  52.348 37.499 1.00 49.91  ? 111 ASN B CB    1 
ATOM   2262 C CG    . ASN B 1 113 ? 19.648  51.286 36.812 1.00 52.01  ? 111 ASN B CG    1 
ATOM   2263 O OD1   . ASN B 1 113 ? 20.049  50.123 36.801 1.00 50.12  ? 111 ASN B OD1   1 
ATOM   2264 N ND2   . ASN B 1 113 ? 18.497  51.667 36.238 1.00 54.42  ? 111 ASN B ND2   1 
ATOM   2265 N N     . MET B 1 114 ? 20.736  53.150 41.150 1.00 58.66  ? 112 MET B N     1 
ATOM   2266 C CA    . MET B 1 114 ? 21.766  53.242 42.186 1.00 54.80  ? 112 MET B CA    1 
ATOM   2267 C C     . MET B 1 114 ? 21.761  52.023 43.090 1.00 54.43  ? 112 MET B C     1 
ATOM   2268 O O     . MET B 1 114 ? 20.706  51.597 43.563 1.00 54.49  ? 112 MET B O     1 
ATOM   2269 C CB    . MET B 1 114 ? 21.619  54.509 43.025 1.00 54.85  ? 112 MET B CB    1 
ATOM   2270 C CG    . MET B 1 114 ? 22.754  55.455 42.701 1.00 67.49  ? 112 MET B CG    1 
ATOM   2271 S SD    . MET B 1 114 ? 22.742  57.122 43.391 1.00 87.24  ? 112 MET B SD    1 
ATOM   2272 C CE    . MET B 1 114 ? 23.506  58.001 41.981 1.00 72.25  ? 112 MET B CE    1 
ATOM   2273 N N     . TYR B 1 115 ? 22.944  51.447 43.294 1.00 53.43  ? 113 TYR B N     1 
ATOM   2274 C CA    . TYR B 1 115 ? 23.142  50.332 44.210 1.00 52.07  ? 113 TYR B CA    1 
ATOM   2275 C C     . TYR B 1 115 ? 24.273  50.704 45.152 1.00 50.85  ? 113 TYR B C     1 
ATOM   2276 O O     . TYR B 1 115 ? 25.355  51.061 44.687 1.00 54.32  ? 113 TYR B O     1 
ATOM   2277 C CB    . TYR B 1 115 ? 23.439  49.040 43.430 1.00 49.84  ? 113 TYR B CB    1 
ATOM   2278 C CG    . TYR B 1 115 ? 22.273  48.669 42.529 1.00 51.79  ? 113 TYR B CG    1 
ATOM   2279 C CD1   . TYR B 1 115 ? 22.037  49.352 41.343 1.00 51.96  ? 113 TYR B CD1   1 
ATOM   2280 C CD2   . TYR B 1 115 ? 21.353  47.696 42.911 1.00 51.26  ? 113 TYR B CD2   1 
ATOM   2281 C CE1   . TYR B 1 115 ? 20.949  49.039 40.546 1.00 50.95  ? 113 TYR B CE1   1 
ATOM   2282 C CE2   . TYR B 1 115 ? 20.257  47.376 42.113 1.00 48.96  ? 113 TYR B CE2   1 
ATOM   2283 C CZ    . TYR B 1 115 ? 20.069  48.055 40.938 1.00 47.74  ? 113 TYR B CZ    1 
ATOM   2284 O OH    . TYR B 1 115 ? 19.012  47.747 40.140 1.00 47.19  ? 113 TYR B OH    1 
ATOM   2285 N N     . ILE B 1 116 ? 24.033  50.654 46.467 1.00 51.51  ? 114 ILE B N     1 
ATOM   2286 C CA    . ILE B 1 116 ? 24.951  51.222 47.447 1.00 52.53  ? 114 ILE B CA    1 
ATOM   2287 C C     . ILE B 1 116 ? 25.256  50.207 48.543 1.00 52.62  ? 114 ILE B C     1 
ATOM   2288 O O     . ILE B 1 116 ? 24.366  49.863 49.327 1.00 53.34  ? 114 ILE B O     1 
ATOM   2289 C CB    . ILE B 1 116 ? 24.384  52.505 48.081 1.00 50.89  ? 114 ILE B CB    1 
ATOM   2290 C CG1   . ILE B 1 116 ? 24.405  53.670 47.101 1.00 53.96  ? 114 ILE B CG1   1 
ATOM   2291 C CG2   . ILE B 1 116 ? 25.165  52.863 49.320 1.00 57.73  ? 114 ILE B CG2   1 
ATOM   2292 C CD1   . ILE B 1 116 ? 24.280  55.010 47.773 1.00 57.05  ? 114 ILE B CD1   1 
ATOM   2293 N N     . PRO B 1 117 ? 26.507  49.729 48.690 1.00 54.64  ? 115 PRO B N     1 
ATOM   2294 C CA    . PRO B 1 117 ? 26.791  48.805 49.794 1.00 55.28  ? 115 PRO B CA    1 
ATOM   2295 C C     . PRO B 1 117 ? 26.866  49.621 51.076 1.00 59.08  ? 115 PRO B C     1 
ATOM   2296 O O     . PRO B 1 117 ? 27.731  50.487 51.214 1.00 59.08  ? 115 PRO B O     1 
ATOM   2297 C CB    . PRO B 1 117 ? 28.151  48.202 49.407 1.00 51.13  ? 115 PRO B CB    1 
ATOM   2298 C CG    . PRO B 1 117 ? 28.483  48.733 48.091 1.00 49.25  ? 115 PRO B CG    1 
ATOM   2299 C CD    . PRO B 1 117 ? 27.728  50.016 47.934 1.00 53.88  ? 115 PRO B CD    1 
ATOM   2300 N N     . VAL B 1 118 ? 25.891  49.412 51.972 1.00 58.73  ? 116 VAL B N     1 
ATOM   2301 C CA    . VAL B 1 118 ? 25.823  50.141 53.237 1.00 60.68  ? 116 VAL B CA    1 
ATOM   2302 C C     . VAL B 1 118 ? 26.633  49.473 54.345 1.00 58.11  ? 116 VAL B C     1 
ATOM   2303 O O     . VAL B 1 118 ? 27.053  50.155 55.286 1.00 61.30  ? 116 VAL B O     1 
ATOM   2304 C CB    . VAL B 1 118 ? 24.370  50.352 53.699 1.00 59.83  ? 116 VAL B CB    1 
ATOM   2305 C CG1   . VAL B 1 118 ? 23.796  51.643 53.122 1.00 59.30  ? 116 VAL B CG1   1 
ATOM   2306 C CG2   . VAL B 1 118 ? 23.509  49.142 53.383 1.00 54.84  ? 116 VAL B CG2   1 
ATOM   2307 N N     . GLY B 1 119 ? 26.775  48.147 54.329 1.00 54.15  ? 117 GLY B N     1 
ATOM   2308 C CA    . GLY B 1 119 ? 27.541  47.491 55.383 1.00 55.36  ? 117 GLY B CA    1 
ATOM   2309 C C     . GLY B 1 119 ? 26.702  46.818 56.453 1.00 56.07  ? 117 GLY B C     1 
ATOM   2310 O O     . GLY B 1 119 ? 25.654  46.244 56.152 1.00 59.30  ? 117 GLY B O     1 
ATOM   2311 N N     . GLN B 1 120 ? 27.125  46.857 57.708 1.00 59.66  ? 118 GLN B N     1 
ATOM   2312 C CA    . GLN B 1 120 ? 26.360  46.164 58.739 1.00 60.84  ? 118 GLN B CA    1 
ATOM   2313 C C     . GLN B 1 120 ? 25.089  46.944 59.065 1.00 60.47  ? 118 GLN B C     1 
ATOM   2314 O O     . GLN B 1 120 ? 25.109  48.173 59.175 1.00 61.98  ? 118 GLN B O     1 
ATOM   2315 C CB    . GLN B 1 120 ? 27.205  45.942 60.002 1.00 60.18  ? 118 GLN B CB    1 
ATOM   2316 C CG    . GLN B 1 120 ? 26.407  45.393 61.179 1.00 60.81  ? 118 GLN B CG    1 
ATOM   2317 C CD    . GLN B 1 120 ? 26.668  43.913 61.458 1.00 61.26  ? 118 GLN B CD    1 
ATOM   2318 O OE1   . GLN B 1 120 ? 27.818  43.473 61.481 1.00 61.01  ? 118 GLN B OE1   1 
ATOM   2319 N NE2   . GLN B 1 120 ? 25.591  43.140 61.693 1.00 62.09  ? 118 GLN B NE2   1 
ATOM   2320 N N     . VAL B 1 121 ? 23.974  46.228 59.193 1.00 58.55  ? 119 VAL B N     1 
ATOM   2321 C CA    . VAL B 1 121 ? 22.690  46.807 59.580 1.00 60.62  ? 119 VAL B CA    1 
ATOM   2322 C C     . VAL B 1 121 ? 22.319  46.242 60.949 1.00 55.87  ? 119 VAL B C     1 
ATOM   2323 O O     . VAL B 1 121 ? 22.420  45.027 61.164 1.00 55.91  ? 119 VAL B O     1 
ATOM   2324 C CB    . VAL B 1 121 ? 21.609  46.525 58.508 1.00 58.34  ? 119 VAL B CB    1 
ATOM   2325 C CG1   . VAL B 1 121 ? 20.194  46.420 59.098 1.00 53.53  ? 119 VAL B CG1   1 
ATOM   2326 C CG2   . VAL B 1 121 ? 21.640  47.596 57.441 1.00 50.35  ? 119 VAL B CG2   1 
ATOM   2327 N N     . THR B 1 122 ? 21.942  47.122 61.888 1.00 55.56  ? 120 THR B N     1 
ATOM   2328 C CA    . THR B 1 122 ? 21.574  46.725 63.253 1.00 56.30  ? 120 THR B CA    1 
ATOM   2329 C C     . THR B 1 122 ? 20.173  47.213 63.618 1.00 54.42  ? 120 THR B C     1 
ATOM   2330 O O     . THR B 1 122 ? 19.800  48.351 63.304 1.00 53.55  ? 120 THR B O     1 
ATOM   2331 C CB    . THR B 1 122 ? 22.547  47.286 64.324 1.00 52.00  ? 120 THR B CB    1 
ATOM   2332 O OG1   . THR B 1 122 ? 22.688  48.705 64.162 1.00 49.19  ? 120 THR B OG1   1 
ATOM   2333 C CG2   . THR B 1 122 ? 23.924  46.600 64.268 1.00 53.32  ? 120 THR B CG2   1 
ATOM   2334 N N     . GLU B 1 123 ? 19.425  46.373 64.342 1.00 52.08  ? 121 GLU B N     1 
ATOM   2335 C CA    . GLU B 1 123 ? 18.179  46.820 64.948 1.00 53.07  ? 121 GLU B CA    1 
ATOM   2336 C C     . GLU B 1 123 ? 18.401  48.127 65.712 1.00 53.15  ? 121 GLU B C     1 
ATOM   2337 O O     . GLU B 1 123 ? 19.458  48.356 66.293 1.00 56.63  ? 121 GLU B O     1 
ATOM   2338 C CB    . GLU B 1 123 ? 17.652  45.741 65.905 1.00 59.31  ? 121 GLU B CB    1 
ATOM   2339 C CG    . GLU B 1 123 ? 16.897  44.581 65.256 1.00 63.77  ? 121 GLU B CG    1 
ATOM   2340 C CD    . GLU B 1 123 ? 15.775  43.992 66.140 1.00 71.35  ? 121 GLU B CD    1 
ATOM   2341 O OE1   . GLU B 1 123 ? 15.006  44.750 66.795 1.00 69.10  ? 121 GLU B OE1   1 
ATOM   2342 O OE2   . GLU B 1 123 ? 15.677  42.744 66.174 1.00 74.36  ? 121 GLU B OE2   1 
ATOM   2343 N N     . TYR B 1 124 ? 17.394  48.983 65.737 1.00 51.74  ? 122 TYR B N     1 
ATOM   2344 C CA    . TYR B 1 124 ? 17.523  50.286 66.385 1.00 51.99  ? 122 TYR B CA    1 
ATOM   2345 C C     . TYR B 1 124 ? 16.264  50.739 67.107 1.00 53.59  ? 122 TYR B C     1 
ATOM   2346 O O     . TYR B 1 124 ? 16.367  51.500 68.071 1.00 54.25  ? 122 TYR B O     1 
ATOM   2347 C CB    . TYR B 1 124 ? 17.920  51.333 65.348 1.00 50.92  ? 122 TYR B CB    1 
ATOM   2348 C CG    . TYR B 1 124 ? 18.292  52.721 65.817 1.00 51.01  ? 122 TYR B CG    1 
ATOM   2349 C CD1   . TYR B 1 124 ? 17.342  53.727 65.905 1.00 51.93  ? 122 TYR B CD1   1 
ATOM   2350 C CD2   . TYR B 1 124 ? 19.609  53.054 66.066 1.00 50.21  ? 122 TYR B CD2   1 
ATOM   2351 C CE1   . TYR B 1 124 ? 17.685  55.018 66.286 1.00 52.14  ? 122 TYR B CE1   1 
ATOM   2352 C CE2   . TYR B 1 124 ? 19.968  54.341 66.455 1.00 50.39  ? 122 TYR B CE2   1 
ATOM   2353 C CZ    . TYR B 1 124 ? 19.001  55.323 66.562 1.00 51.37  ? 122 TYR B CZ    1 
ATOM   2354 O OH    . TYR B 1 124 ? 19.367  56.602 66.948 1.00 51.70  ? 122 TYR B OH    1 
ATOM   2355 N N     . GLY B 1 125 ? 15.080  50.346 66.665 1.00 54.33  ? 123 GLY B N     1 
ATOM   2356 C CA    . GLY B 1 125 ? 13.880  50.650 67.427 1.00 56.08  ? 123 GLY B CA    1 
ATOM   2357 C C     . GLY B 1 125 ? 13.413  52.093 67.387 1.00 56.50  ? 123 GLY B C     1 
ATOM   2358 O O     . GLY B 1 125 ? 13.161  52.633 66.306 1.00 55.88  ? 123 GLY B O     1 
ATOM   2359 N N     . PHE B 1 126 ? 13.314  52.729 68.558 1.00 52.56  ? 124 PHE B N     1 
ATOM   2360 C CA    . PHE B 1 126 ? 12.665  54.035 68.693 1.00 53.83  ? 124 PHE B CA    1 
ATOM   2361 C C     . PHE B 1 126 ? 13.502  55.146 68.064 1.00 51.89  ? 124 PHE B C     1 
ATOM   2362 O O     . PHE B 1 126 ? 14.729  55.074 68.023 1.00 53.31  ? 124 PHE B O     1 
ATOM   2363 C CB    . PHE B 1 126 ? 12.407  54.358 70.172 1.00 50.44  ? 124 PHE B CB    1 
ATOM   2364 C CG    . PHE B 1 126 ? 11.660  55.655 70.397 1.00 50.30  ? 124 PHE B CG    1 
ATOM   2365 C CD1   . PHE B 1 126 ? 12.338  56.862 70.497 1.00 50.43  ? 124 PHE B CD1   1 
ATOM   2366 C CD2   . PHE B 1 126 ? 10.289  55.664 70.527 1.00 51.03  ? 124 PHE B CD2   1 
ATOM   2367 C CE1   . PHE B 1 126 ? 11.665  58.049 70.704 1.00 51.30  ? 124 PHE B CE1   1 
ATOM   2368 C CE2   . PHE B 1 126 ? 9.618   56.851 70.739 1.00 51.88  ? 124 PHE B CE2   1 
ATOM   2369 C CZ    . PHE B 1 126 ? 10.310  58.045 70.830 1.00 52.03  ? 124 PHE B CZ    1 
ATOM   2370 N N     . LEU B 1 127 ? 12.822  56.183 67.571 1.00 50.60  ? 125 LEU B N     1 
ATOM   2371 C CA    . LEU B 1 127 ? 13.491  57.337 66.984 1.00 52.83  ? 125 LEU B CA    1 
ATOM   2372 C C     . LEU B 1 127 ? 12.527  58.514 66.929 1.00 56.20  ? 125 LEU B C     1 
ATOM   2373 O O     . LEU B 1 127 ? 11.355  58.347 66.575 1.00 56.47  ? 125 LEU B O     1 
ATOM   2374 C CB    . LEU B 1 127 ? 13.995  56.993 65.584 1.00 54.47  ? 125 LEU B CB    1 
ATOM   2375 C CG    . LEU B 1 127 ? 14.966  57.867 64.782 1.00 57.43  ? 125 LEU B CG    1 
ATOM   2376 C CD1   . LEU B 1 127 ? 15.186  57.193 63.439 1.00 56.02  ? 125 LEU B CD1   1 
ATOM   2377 C CD2   . LEU B 1 127 ? 14.522  59.306 64.556 1.00 56.73  ? 125 LEU B CD2   1 
ATOM   2378 N N     . ASN B 1 128 ? 13.029  59.710 67.239 1.00 61.41  ? 126 ASN B N     1 
ATOM   2379 C CA    . ASN B 1 128 ? 12.208  60.920 67.144 1.00 62.44  ? 126 ASN B CA    1 
ATOM   2380 C C     . ASN B 1 128 ? 12.409  61.484 65.754 1.00 68.82  ? 126 ASN B C     1 
ATOM   2381 O O     . ASN B 1 128 ? 13.421  62.140 65.480 1.00 71.13  ? 126 ASN B O     1 
ATOM   2382 C CB    . ASN B 1 128 ? 12.571  61.965 68.193 1.00 66.20  ? 126 ASN B CB    1 
ATOM   2383 C CG    . ASN B 1 128 ? 11.716  63.226 68.069 1.00 69.86  ? 126 ASN B CG    1 
ATOM   2384 O OD1   . ASN B 1 128 ? 11.898  64.036 67.152 1.00 71.12  ? 126 ASN B OD1   1 
ATOM   2385 N ND2   . ASN B 1 128 ? 10.767  63.388 68.987 1.00 71.90  ? 126 ASN B ND2   1 
ATOM   2386 N N     . LEU B 1 129 ? 11.475  61.177 64.853 1.00 72.97  ? 127 LEU B N     1 
ATOM   2387 C CA    . LEU B 1 129 ? 11.628  61.504 63.438 1.00 69.35  ? 127 LEU B CA    1 
ATOM   2388 C C     . LEU B 1 129 ? 10.950  62.838 63.189 1.00 75.03  ? 127 LEU B C     1 
ATOM   2389 O O     . LEU B 1 129 ? 9.726   62.908 63.087 1.00 77.47  ? 127 LEU B O     1 
ATOM   2390 C CB    . LEU B 1 129 ? 11.041  60.405 62.567 1.00 63.68  ? 127 LEU B CB    1 
ATOM   2391 C CG    . LEU B 1 129 ? 11.600  60.384 61.143 1.00 65.00  ? 127 LEU B CG    1 
ATOM   2392 C CD1   . LEU B 1 129 ? 12.812  61.278 60.998 1.00 69.07  ? 127 LEU B CD1   1 
ATOM   2393 C CD2   . LEU B 1 129 ? 11.929  58.991 60.689 1.00 57.44  ? 127 LEU B CD2   1 
ATOM   2394 N N     . GLY B 1 130 ? 11.750  63.899 63.095 1.00 92.92  ? 128 GLY B N     1 
ATOM   2395 C CA    . GLY B 1 130 ? 11.235  65.241 62.905 1.00 94.26  ? 128 GLY B CA    1 
ATOM   2396 C C     . GLY B 1 130 ? 10.072  65.601 63.812 1.00 95.13  ? 128 GLY B C     1 
ATOM   2397 O O     . GLY B 1 130 ? 9.051   66.117 63.331 1.00 96.07  ? 128 GLY B O     1 
ATOM   2398 N N     . GLY B 1 131 ? 10.184  65.311 65.113 1.00 80.50  ? 129 GLY B N     1 
ATOM   2399 C CA    . GLY B 1 131 ? 9.102   65.612 66.032 1.00 79.48  ? 129 GLY B CA    1 
ATOM   2400 C C     . GLY B 1 131 ? 8.071   64.514 66.259 1.00 74.34  ? 129 GLY B C     1 
ATOM   2401 O O     . GLY B 1 131 ? 7.110   64.743 67.007 1.00 75.16  ? 129 GLY B O     1 
ATOM   2402 N N     . THR B 1 132 ? 8.199   63.363 65.597 1.00 73.41  ? 130 THR B N     1 
ATOM   2403 C CA    . THR B 1 132 ? 7.280   62.251 65.759 1.00 68.32  ? 130 THR B CA    1 
ATOM   2404 C C     . THR B 1 132 ? 8.011   61.003 66.267 1.00 65.41  ? 130 THR B C     1 
ATOM   2405 O O     . THR B 1 132 ? 9.079   60.662 65.748 1.00 67.88  ? 130 THR B O     1 
ATOM   2406 C CB    . THR B 1 132 ? 6.562   61.937 64.465 1.00 69.55  ? 130 THR B CB    1 
ATOM   2407 O OG1   . THR B 1 132 ? 6.375   63.151 63.735 1.00 72.72  ? 130 THR B OG1   1 
ATOM   2408 C CG2   . THR B 1 132 ? 5.203   61.304 64.750 1.00 68.70  ? 130 THR B CG2   1 
ATOM   2409 N N     . PRO B 1 133 ? 7.503   60.320 67.291 1.00 63.86  ? 131 PRO B N     1 
ATOM   2410 C CA    . PRO B 1 133 ? 8.093   59.036 67.714 1.00 59.15  ? 131 PRO B CA    1 
ATOM   2411 C C     . PRO B 1 133 ? 7.765   57.910 66.736 1.00 55.39  ? 131 PRO B C     1 
ATOM   2412 O O     . PRO B 1 133 ? 6.599   57.674 66.407 1.00 57.21  ? 131 PRO B O     1 
ATOM   2413 C CB    . PRO B 1 133 ? 7.449   58.791 69.080 1.00 60.04  ? 131 PRO B CB    1 
ATOM   2414 C CG    . PRO B 1 133 ? 6.574   59.983 69.385 1.00 64.57  ? 131 PRO B CG    1 
ATOM   2415 C CD    . PRO B 1 133 ? 6.961   61.071 68.437 1.00 67.45  ? 131 PRO B CD    1 
ATOM   2416 N N     . THR B 1 134 ? 8.806   57.210 66.293 1.00 52.95  ? 132 THR B N     1 
ATOM   2417 C CA    . THR B 1 134 ? 8.729   56.161 65.289 1.00 52.10  ? 132 THR B CA    1 
ATOM   2418 C C     . THR B 1 134 ? 9.307   54.863 65.840 1.00 50.01  ? 132 THR B C     1 
ATOM   2419 O O     . THR B 1 134 ? 10.336  54.885 66.510 1.00 50.97  ? 132 THR B O     1 
ATOM   2420 C CB    . THR B 1 134 ? 9.542   56.564 64.019 1.00 54.06  ? 132 THR B CB    1 
ATOM   2421 O OG1   . THR B 1 134 ? 9.334   57.953 63.708 1.00 55.97  ? 132 THR B OG1   1 
ATOM   2422 C CG2   . THR B 1 134 ? 9.200   55.688 62.802 1.00 49.94  ? 132 THR B CG2   1 
ATOM   2423 N N     . LYS B 1 135 ? 8.685   53.720 65.545 1.00 49.98  ? 133 LYS B N     1 
ATOM   2424 C CA    . LYS B 1 135 ? 9.209   52.451 66.041 1.00 49.58  ? 133 LYS B CA    1 
ATOM   2425 C C     . LYS B 1 135 ? 9.693   51.581 64.884 1.00 49.03  ? 133 LYS B C     1 
ATOM   2426 O O     . LYS B 1 135 ? 9.303   51.768 63.731 1.00 54.01  ? 133 LYS B O     1 
ATOM   2427 C CB    . LYS B 1 135 ? 8.164   51.698 66.892 1.00 54.58  ? 133 LYS B CB    1 
ATOM   2428 C CG    . LYS B 1 135 ? 8.687   51.272 68.326 1.00 55.93  ? 133 LYS B CG    1 
ATOM   2429 C CD    . LYS B 1 135 ? 7.981   50.047 68.964 1.00 54.69  ? 133 LYS B CD    1 
ATOM   2430 C CE    . LYS B 1 135 ? 7.852   50.213 70.492 1.00 53.39  ? 133 LYS B CE    1 
ATOM   2431 N NZ    . LYS B 1 135 ? 7.248   49.056 71.236 1.00 53.24  ? 133 LYS B NZ    1 
ATOM   2432 N N     . ARG B 1 136 ? 10.579  50.635 65.215 1.00 51.45  ? 134 ARG B N     1 
ATOM   2433 C CA    . ARG B 1 136 ? 11.161  49.621 64.312 1.00 49.44  ? 134 ARG B CA    1 
ATOM   2434 C C     . ARG B 1 136 ? 12.173  50.190 63.306 1.00 48.73  ? 134 ARG B C     1 
ATOM   2435 O O     . ARG B 1 136 ? 12.363  49.625 62.217 1.00 48.36  ? 134 ARG B O     1 
ATOM   2436 C CB    . ARG B 1 136 ? 10.081  48.821 63.570 1.00 48.62  ? 134 ARG B CB    1 
ATOM   2437 C CG    . ARG B 1 136 ? 8.814   48.545 64.344 1.00 49.66  ? 134 ARG B CG    1 
ATOM   2438 C CD    . ARG B 1 136 ? 8.513   47.055 64.489 1.00 57.49  ? 134 ARG B CD    1 
ATOM   2439 N NE    . ARG B 1 136 ? 7.081   46.806 64.676 1.00 57.76  ? 134 ARG B NE    1 
ATOM   2440 C CZ    . ARG B 1 136 ? 6.525   45.601 64.751 1.00 58.23  ? 134 ARG B CZ    1 
ATOM   2441 N NH1   . ARG B 1 136 ? 7.242   44.495 64.619 1.00 59.49  ? 134 ARG B NH1   1 
ATOM   2442 N NH2   . ARG B 1 136 ? 5.229   45.502 65.028 1.00 60.45  ? 134 ARG B NH2   1 
ATOM   2443 N N     . MET B 1 137 ? 12.906  51.244 63.654 1.00 47.53  ? 135 MET B N     1 
ATOM   2444 C CA    . MET B 1 137 ? 13.931  51.698 62.722 1.00 48.33  ? 135 MET B CA    1 
ATOM   2445 C C     . MET B 1 137 ? 15.088  50.707 62.664 1.00 49.52  ? 135 MET B C     1 
ATOM   2446 O O     . MET B 1 137 ? 15.419  50.053 63.658 1.00 48.24  ? 135 MET B O     1 
ATOM   2447 C CB    . MET B 1 137 ? 14.468  53.062 63.130 1.00 48.23  ? 135 MET B CB    1 
ATOM   2448 C CG    . MET B 1 137 ? 13.396  54.083 63.170 1.00 49.31  ? 135 MET B CG    1 
ATOM   2449 S SD    . MET B 1 137 ? 12.721  54.082 61.521 1.00 51.41  ? 135 MET B SD    1 
ATOM   2450 C CE    . MET B 1 137 ? 12.703  55.828 61.197 1.00 48.55  ? 135 MET B CE    1 
ATOM   2451 N N     . LEU B 1 138 ? 15.709  50.621 61.483 1.00 50.80  ? 136 LEU B N     1 
ATOM   2452 C CA    . LEU B 1 138 ? 16.935  49.878 61.244 1.00 50.62  ? 136 LEU B CA    1 
ATOM   2453 C C     . LEU B 1 138 ? 18.009  50.891 60.889 1.00 54.24  ? 136 LEU B C     1 
ATOM   2454 O O     . LEU B 1 138 ? 17.718  51.877 60.204 1.00 54.93  ? 136 LEU B O     1 
ATOM   2455 C CB    . LEU B 1 138 ? 16.736  48.888 60.094 1.00 49.90  ? 136 LEU B CB    1 
ATOM   2456 C CG    . LEU B 1 138 ? 16.045  47.563 60.415 1.00 49.84  ? 136 LEU B CG    1 
ATOM   2457 C CD1   . LEU B 1 138 ? 16.031  46.658 59.201 1.00 49.29  ? 136 LEU B CD1   1 
ATOM   2458 C CD2   . LEU B 1 138 ? 16.727  46.866 61.570 1.00 49.22  ? 136 LEU B CD2   1 
ATOM   2459 N N     . MET B 1 139 ? 19.249  50.648 61.317 1.00 52.66  ? 137 MET B N     1 
ATOM   2460 C CA    . MET B 1 139 ? 20.334  51.599 61.088 1.00 56.20  ? 137 MET B CA    1 
ATOM   2461 C C     . MET B 1 139 ? 21.536  50.992 60.376 1.00 55.91  ? 137 MET B C     1 
ATOM   2462 O O     . MET B 1 139 ? 22.055  49.938 60.767 1.00 52.58  ? 137 MET B O     1 
ATOM   2463 C CB    . MET B 1 139 ? 20.828  52.248 62.384 1.00 56.62  ? 137 MET B CB    1 
ATOM   2464 C CG    . MET B 1 139 ? 21.798  53.396 62.090 1.00 55.21  ? 137 MET B CG    1 
ATOM   2465 S SD    . MET B 1 139 ? 22.868  53.773 63.476 1.00 69.30  ? 137 MET B SD    1 
ATOM   2466 C CE    . MET B 1 139 ? 23.326  52.134 64.069 1.00 52.36  ? 137 MET B CE    1 
ATOM   2467 N N     . TYR B 1 140 ? 21.983  51.699 59.345 1.00 59.14  ? 138 TYR B N     1 
ATOM   2468 C CA    . TYR B 1 140 ? 23.237  51.438 58.680 1.00 60.89  ? 138 TYR B CA    1 
ATOM   2469 C C     . TYR B 1 140 ? 24.045  52.725 58.668 1.00 69.02  ? 138 TYR B C     1 
ATOM   2470 O O     . TYR B 1 140 ? 23.504  53.827 58.814 1.00 66.70  ? 138 TYR B O     1 
ATOM   2471 C CB    . TYR B 1 140 ? 22.998  50.934 57.271 1.00 59.10  ? 138 TYR B CB    1 
ATOM   2472 C CG    . TYR B 1 140 ? 21.760  51.532 56.651 1.00 58.52  ? 138 TYR B CG    1 
ATOM   2473 C CD1   . TYR B 1 140 ? 21.794  52.782 56.032 1.00 59.53  ? 138 TYR B CD1   1 
ATOM   2474 C CD2   . TYR B 1 140 ? 20.556  50.857 56.697 1.00 55.54  ? 138 TYR B CD2   1 
ATOM   2475 C CE1   . TYR B 1 140 ? 20.669  53.331 55.469 1.00 54.24  ? 138 TYR B CE1   1 
ATOM   2476 C CE2   . TYR B 1 140 ? 19.427  51.394 56.143 1.00 53.86  ? 138 TYR B CE2   1 
ATOM   2477 C CZ    . TYR B 1 140 ? 19.479  52.633 55.529 1.00 54.39  ? 138 TYR B CZ    1 
ATOM   2478 O OH    . TYR B 1 140 ? 18.325  53.159 54.977 1.00 52.89  ? 138 TYR B OH    1 
ATOM   2479 N N     . ASN B 1 141 ? 25.359  52.568 58.504 1.00 85.30  ? 139 ASN B N     1 
ATOM   2480 C CA    . ASN B 1 141 ? 26.306  53.677 58.563 1.00 87.54  ? 139 ASN B CA    1 
ATOM   2481 C C     . ASN B 1 141 ? 26.716  53.994 57.132 1.00 88.03  ? 139 ASN B C     1 
ATOM   2482 O O     . ASN B 1 141 ? 27.532  53.283 56.543 1.00 88.89  ? 139 ASN B O     1 
ATOM   2483 C CB    . ASN B 1 141 ? 27.502  53.324 59.437 1.00 89.69  ? 139 ASN B CB    1 
ATOM   2484 C CG    . ASN B 1 141 ? 27.235  53.557 60.913 1.00 89.94  ? 139 ASN B CG    1 
ATOM   2485 O OD1   . ASN B 1 141 ? 26.981  54.686 61.342 1.00 90.38  ? 139 ASN B OD1   1 
ATOM   2486 N ND2   . ASN B 1 141 ? 27.290  52.488 61.704 1.00 89.75  ? 139 ASN B ND2   1 
ATOM   2487 N N     . PHE B 1 142 ? 26.114  55.053 56.565 1.00 88.31  ? 140 PHE B N     1 
ATOM   2488 C CA    . PHE B 1 142 ? 26.404  55.548 55.223 1.00 91.38  ? 140 PHE B CA    1 
ATOM   2489 C C     . PHE B 1 142 ? 25.948  56.993 55.118 1.00 94.58  ? 140 PHE B C     1 
ATOM   2490 O O     . PHE B 1 142 ? 24.910  57.344 55.696 1.00 88.33  ? 140 PHE B O     1 
ATOM   2491 C CB    . PHE B 1 142 ? 25.716  54.692 54.154 1.00 88.07  ? 140 PHE B CB    1 
ATOM   2492 C CG    . PHE B 1 142 ? 26.516  54.542 52.891 1.00 91.88  ? 140 PHE B CG    1 
ATOM   2493 C CD1   . PHE B 1 142 ? 26.336  55.415 51.820 1.00 95.24  ? 140 PHE B CD1   1 
ATOM   2494 C CD2   . PHE B 1 142 ? 27.462  53.535 52.771 1.00 89.24  ? 140 PHE B CD2   1 
ATOM   2495 C CE1   . PHE B 1 142 ? 27.086  55.283 50.641 1.00 89.63  ? 140 PHE B CE1   1 
ATOM   2496 C CE2   . PHE B 1 142 ? 28.209  53.394 51.592 1.00 90.46  ? 140 PHE B CE2   1 
ATOM   2497 C CZ    . PHE B 1 142 ? 28.017  54.267 50.525 1.00 90.68  ? 140 PHE B CZ    1 
ATOM   2498 N N     . PRO B 1 143 ? 26.689  57.853 54.417 1.00 110.85 ? 141 PRO B N     1 
ATOM   2499 C CA    . PRO B 1 143 ? 26.231  59.232 54.194 1.00 110.91 ? 141 PRO B CA    1 
ATOM   2500 C C     . PRO B 1 143 ? 25.053  59.303 53.232 1.00 108.69 ? 141 PRO B C     1 
ATOM   2501 O O     . PRO B 1 143 ? 25.069  58.688 52.163 1.00 108.24 ? 141 PRO B O     1 
ATOM   2502 C CB    . PRO B 1 143 ? 27.466  59.924 53.611 1.00 113.66 ? 141 PRO B CB    1 
ATOM   2503 C CG    . PRO B 1 143 ? 28.202  58.819 52.916 1.00 114.19 ? 141 PRO B CG    1 
ATOM   2504 C CD    . PRO B 1 143 ? 27.997  57.601 53.790 1.00 113.02 ? 141 PRO B CD    1 
ATOM   2505 N N     . THR B 1 144 ? 24.028  60.056 53.624 1.00 108.39 ? 142 THR B N     1 
ATOM   2506 C CA    . THR B 1 144 ? 22.895  60.326 52.740 1.00 105.57 ? 142 THR B CA    1 
ATOM   2507 C C     . THR B 1 144 ? 22.802  61.808 52.357 1.00 107.92 ? 142 THR B C     1 
ATOM   2508 O O     . THR B 1 144 ? 23.529  62.654 52.882 1.00 110.32 ? 142 THR B O     1 
ATOM   2509 C CB    . THR B 1 144 ? 21.574  59.900 53.380 1.00 99.80  ? 142 THR B CB    1 
ATOM   2510 O OG1   . THR B 1 144 ? 21.335  60.697 54.543 1.00 100.01 ? 142 THR B OG1   1 
ATOM   2511 C CG2   . THR B 1 144 ? 21.627  58.435 53.759 1.00 99.07  ? 142 THR B CG2   1 
ATOM   2512 N N     . ALA B 1 146 ? 19.615  63.426 50.871 1.00 117.80 ? 144 ALA B N     1 
ATOM   2513 C CA    . ALA B 1 146 ? 18.158  63.513 50.758 1.00 115.26 ? 144 ALA B CA    1 
ATOM   2514 C C     . ALA B 1 146 ? 17.700  63.216 49.335 1.00 114.32 ? 144 ALA B C     1 
ATOM   2515 O O     . ALA B 1 146 ? 18.476  63.339 48.379 1.00 115.85 ? 144 ALA B O     1 
ATOM   2516 C CB    . ALA B 1 146 ? 17.662  64.878 51.200 1.00 118.90 ? 144 ALA B CB    1 
ATOM   2517 N N     . GLY B 1 147 ? 16.427  62.847 49.191 1.00 104.91 ? 145 GLY B N     1 
ATOM   2518 C CA    . GLY B 1 147 ? 15.890  62.438 47.910 1.00 93.62  ? 145 GLY B CA    1 
ATOM   2519 C C     . GLY B 1 147 ? 16.039  60.962 47.616 1.00 82.91  ? 145 GLY B C     1 
ATOM   2520 O O     . GLY B 1 147 ? 15.629  60.512 46.537 1.00 82.50  ? 145 GLY B O     1 
ATOM   2521 N N     . GLN B 1 148 ? 16.626  60.205 48.536 1.00 83.25  ? 146 GLN B N     1 
ATOM   2522 C CA    . GLN B 1 148 ? 16.673  58.752 48.511 1.00 75.48  ? 146 GLN B CA    1 
ATOM   2523 C C     . GLN B 1 148 ? 15.565  58.108 49.338 1.00 70.85  ? 146 GLN B C     1 
ATOM   2524 O O     . GLN B 1 148 ? 15.515  56.876 49.422 1.00 70.28  ? 146 GLN B O     1 
ATOM   2525 C CB    . GLN B 1 148 ? 18.032  58.276 49.013 1.00 77.83  ? 146 GLN B CB    1 
ATOM   2526 C CG    . GLN B 1 148 ? 19.149  59.269 48.731 1.00 88.67  ? 146 GLN B CG    1 
ATOM   2527 C CD    . GLN B 1 148 ? 20.216  59.277 49.809 1.00 93.45  ? 146 GLN B CD    1 
ATOM   2528 O OE1   . GLN B 1 148 ? 20.311  60.226 50.598 1.00 98.32  ? 146 GLN B OE1   1 
ATOM   2529 N NE2   . GLN B 1 148 ? 21.054  58.240 49.823 1.00 89.82  ? 146 GLN B NE2   1 
ATOM   2530 N N     . ALA B 1 149 ? 14.725  58.901 50.006 1.00 69.81  ? 147 ALA B N     1 
ATOM   2531 C CA    . ALA B 1 149 ? 13.580  58.345 50.714 1.00 67.79  ? 147 ALA B CA    1 
ATOM   2532 C C     . ALA B 1 149 ? 12.819  57.414 49.795 1.00 66.32  ? 147 ALA B C     1 
ATOM   2533 O O     . ALA B 1 149 ? 12.329  57.834 48.749 1.00 65.80  ? 147 ALA B O     1 
ATOM   2534 C CB    . ALA B 1 149 ? 12.664  59.466 51.205 1.00 66.80  ? 147 ALA B CB    1 
ATOM   2535 N N     . GLY B 1 150 ? 12.685  56.162 50.210 1.00 65.71  ? 148 GLY B N     1 
ATOM   2536 C CA    . GLY B 1 150 ? 12.118  55.119 49.393 1.00 64.63  ? 148 GLY B CA    1 
ATOM   2537 C C     . GLY B 1 150 ? 13.079  54.026 48.988 1.00 65.75  ? 148 GLY B C     1 
ATOM   2538 O O     . GLY B 1 150 ? 12.629  52.964 48.562 1.00 64.90  ? 148 GLY B O     1 
ATOM   2539 N N     . GLY B 1 151 ? 14.377  54.239 49.100 1.00 67.69  ? 149 GLY B N     1 
ATOM   2540 C CA    . GLY B 1 151 ? 15.307  53.197 48.699 1.00 68.79  ? 149 GLY B CA    1 
ATOM   2541 C C     . GLY B 1 151 ? 15.006  51.846 49.316 1.00 67.92  ? 149 GLY B C     1 
ATOM   2542 O O     . GLY B 1 151 ? 14.486  51.781 50.432 1.00 67.09  ? 149 GLY B O     1 
ATOM   2543 N N     . VAL B 1 152 ? 15.328  50.763 48.621 1.00 49.51  ? 150 VAL B N     1 
ATOM   2544 C CA    . VAL B 1 152 ? 15.026  49.415 49.082 1.00 48.36  ? 150 VAL B CA    1 
ATOM   2545 C C     . VAL B 1 152 ? 16.293  48.847 49.714 1.00 48.85  ? 150 VAL B C     1 
ATOM   2546 O O     . VAL B 1 152 ? 17.296  48.633 49.034 1.00 49.70  ? 150 VAL B O     1 
ATOM   2547 C CB    . VAL B 1 152 ? 14.543  48.531 47.928 1.00 46.38  ? 150 VAL B CB    1 
ATOM   2548 C CG1   . VAL B 1 152 ? 14.143  47.170 48.441 1.00 47.78  ? 150 VAL B CG1   1 
ATOM   2549 C CG2   . VAL B 1 152 ? 13.402  49.203 47.188 1.00 46.03  ? 150 VAL B CG2   1 
ATOM   2550 N N     . LEU B 1 153 ? 16.280  48.619 51.018 1.00 47.72  ? 151 LEU B N     1 
ATOM   2551 C CA    . LEU B 1 153 ? 17.433  48.082 51.736 1.00 46.46  ? 151 LEU B CA    1 
ATOM   2552 C C     . LEU B 1 153 ? 17.300  46.564 51.818 1.00 45.79  ? 151 LEU B C     1 
ATOM   2553 O O     . LEU B 1 153 ? 16.302  46.058 52.361 1.00 46.98  ? 151 LEU B O     1 
ATOM   2554 C CB    . LEU B 1 153 ? 17.501  48.729 53.126 1.00 45.29  ? 151 LEU B CB    1 
ATOM   2555 C CG    . LEU B 1 153 ? 18.513  48.492 54.251 1.00 43.83  ? 151 LEU B CG    1 
ATOM   2556 C CD1   . LEU B 1 153 ? 18.383  47.116 54.812 1.00 41.23  ? 151 LEU B CD1   1 
ATOM   2557 C CD2   . LEU B 1 153 ? 19.921  48.725 53.763 1.00 47.19  ? 151 LEU B CD2   1 
ATOM   2558 N N     . MET B 1 154 ? 18.295  45.842 51.294 1.00 43.08  ? 152 MET B N     1 
ATOM   2559 C CA    . MET B 1 154 ? 18.131  44.402 51.153 1.00 44.74  ? 152 MET B CA    1 
ATOM   2560 C C     . MET B 1 154 ? 19.478  43.690 51.052 1.00 44.70  ? 152 MET B C     1 
ATOM   2561 O O     . MET B 1 154 ? 20.528  44.299 50.811 1.00 42.93  ? 152 MET B O     1 
ATOM   2562 C CB    . MET B 1 154 ? 17.286  44.080 49.932 1.00 47.21  ? 152 MET B CB    1 
ATOM   2563 C CG    . MET B 1 154 ? 17.958  44.570 48.674 1.00 47.69  ? 152 MET B CG    1 
ATOM   2564 S SD    . MET B 1 154 ? 17.156  43.942 47.224 1.00 41.21  ? 152 MET B SD    1 
ATOM   2565 C CE    . MET B 1 154 ? 16.492  45.461 46.536 1.00 45.37  ? 152 MET B CE    1 
ATOM   2566 N N     . SER B 1 155 ? 19.408  42.367 51.226 1.00 46.93  ? 153 SER B N     1 
ATOM   2567 C CA    . SER B 1 155 ? 20.499  41.425 51.002 1.00 48.09  ? 153 SER B CA    1 
ATOM   2568 C C     . SER B 1 155 ? 19.925  40.196 50.290 1.00 48.78  ? 153 SER B C     1 
ATOM   2569 O O     . SER B 1 155 ? 18.707  40.062 50.115 1.00 47.50  ? 153 SER B O     1 
ATOM   2570 C CB    . SER B 1 155 ? 21.212  41.079 52.327 1.00 47.48  ? 153 SER B CB    1 
ATOM   2571 O OG    . SER B 1 155 ? 21.238  39.686 52.619 1.00 47.56  ? 153 SER B OG    1 
ATOM   2572 N N     . THR B 1 156 ? 20.821  39.327 49.820 1.00 51.59  ? 154 THR B N     1 
ATOM   2573 C CA    . THR B 1 156 ? 20.460  38.167 49.000 1.00 53.48  ? 154 THR B CA    1 
ATOM   2574 C C     . THR B 1 156 ? 19.379  37.306 49.653 1.00 51.75  ? 154 THR B C     1 
ATOM   2575 O O     . THR B 1 156 ? 19.578  36.745 50.732 1.00 52.79  ? 154 THR B O     1 
ATOM   2576 C CB    . THR B 1 156 ? 21.727  37.341 48.718 1.00 58.41  ? 154 THR B CB    1 
ATOM   2577 O OG1   . THR B 1 156 ? 22.484  37.972 47.676 1.00 60.31  ? 154 THR B OG1   1 
ATOM   2578 C CG2   . THR B 1 156 ? 21.400  35.920 48.300 1.00 57.34  ? 154 THR B CG2   1 
ATOM   2579 N N     . GLY B 1 157 ? 18.235  37.183 48.982 1.00 50.52  ? 155 GLY B N     1 
ATOM   2580 C CA    . GLY B 1 157 ? 17.125  36.440 49.532 1.00 48.34  ? 155 GLY B CA    1 
ATOM   2581 C C     . GLY B 1 157 ? 16.416  37.139 50.672 1.00 52.02  ? 155 GLY B C     1 
ATOM   2582 O O     . GLY B 1 157 ? 15.479  36.564 51.252 1.00 51.59  ? 155 GLY B O     1 
ATOM   2583 N N     . LYS B 1 158 ? 16.824  38.358 51.027 1.00 50.78  ? 156 LYS B N     1 
ATOM   2584 C CA    . LYS B 1 158 ? 16.155  39.085 52.102 1.00 49.79  ? 156 LYS B CA    1 
ATOM   2585 C C     . LYS B 1 158 ? 15.963  40.544 51.723 1.00 47.26  ? 156 LYS B C     1 
ATOM   2586 O O     . LYS B 1 158 ? 16.922  41.325 51.750 1.00 45.40  ? 156 LYS B O     1 
ATOM   2587 C CB    . LYS B 1 158 ? 16.956  38.989 53.398 1.00 51.14  ? 156 LYS B CB    1 
ATOM   2588 C CG    . LYS B 1 158 ? 16.907  37.644 54.098 1.00 54.47  ? 156 LYS B CG    1 
ATOM   2589 C CD    . LYS B 1 158 ? 18.315  37.278 54.498 1.00 56.05  ? 156 LYS B CD    1 
ATOM   2590 C CE    . LYS B 1 158 ? 18.465  35.803 54.713 1.00 60.29  ? 156 LYS B CE    1 
ATOM   2591 N NZ    . LYS B 1 158 ? 19.896  35.447 54.504 1.00 63.79  ? 156 LYS B NZ    1 
ATOM   2592 N N     . VAL B 1 159 ? 14.714  40.926 51.484 1.00 46.60  ? 157 VAL B N     1 
ATOM   2593 C CA    . VAL B 1 159 ? 14.339  42.335 51.499 1.00 46.75  ? 157 VAL B CA    1 
ATOM   2594 C C     . VAL B 1 159 ? 14.143  42.698 52.960 1.00 47.48  ? 157 VAL B C     1 
ATOM   2595 O O     . VAL B 1 159 ? 13.370  42.046 53.666 1.00 52.60  ? 157 VAL B O     1 
ATOM   2596 C CB    . VAL B 1 159 ? 13.048  42.594 50.703 1.00 46.69  ? 157 VAL B CB    1 
ATOM   2597 C CG1   . VAL B 1 159 ? 12.757  44.092 50.644 1.00 43.13  ? 157 VAL B CG1   1 
ATOM   2598 C CG2   . VAL B 1 159 ? 13.100  41.957 49.286 1.00 45.10  ? 157 VAL B CG2   1 
ATOM   2599 N N     . LEU B 1 160 ? 14.887  43.675 53.452 1.00 44.89  ? 158 LEU B N     1 
ATOM   2600 C CA    . LEU B 1 160 ? 14.705  43.976 54.863 1.00 44.57  ? 158 LEU B CA    1 
ATOM   2601 C C     . LEU B 1 160 ? 13.950  45.263 55.146 1.00 42.85  ? 158 LEU B C     1 
ATOM   2602 O O     . LEU B 1 160 ? 13.222  45.303 56.136 1.00 46.94  ? 158 LEU B O     1 
ATOM   2603 C CB    . LEU B 1 160 ? 16.047  43.980 55.633 1.00 49.24  ? 158 LEU B CB    1 
ATOM   2604 C CG    . LEU B 1 160 ? 17.445  43.550 55.148 1.00 47.08  ? 158 LEU B CG    1 
ATOM   2605 C CD1   . LEU B 1 160 ? 18.437  44.123 56.079 1.00 46.43  ? 158 LEU B CD1   1 
ATOM   2606 C CD2   . LEU B 1 160 ? 17.622  42.040 55.157 1.00 50.77  ? 158 LEU B CD2   1 
ATOM   2607 N N     . GLY B 1 161 ? 14.054  46.305 54.333 1.00 40.45  ? 159 GLY B N     1 
ATOM   2608 C CA    . GLY B 1 161 ? 13.301  47.487 54.721 1.00 42.22  ? 159 GLY B CA    1 
ATOM   2609 C C     . GLY B 1 161 ? 13.386  48.585 53.698 1.00 42.42  ? 159 GLY B C     1 
ATOM   2610 O O     . GLY B 1 161 ? 13.992  48.427 52.644 1.00 48.59  ? 159 GLY B O     1 
ATOM   2611 N N     . ILE B 1 162 ? 12.755  49.711 54.020 1.00 40.61  ? 160 ILE B N     1 
ATOM   2612 C CA    . ILE B 1 162 ? 12.678  50.859 53.118 1.00 47.08  ? 160 ILE B CA    1 
ATOM   2613 C C     . ILE B 1 162 ? 13.274  52.067 53.820 1.00 46.50  ? 160 ILE B C     1 
ATOM   2614 O O     . ILE B 1 162 ? 12.811  52.449 54.893 1.00 48.78  ? 160 ILE B O     1 
ATOM   2615 C CB    . ILE B 1 162 ? 11.232  51.147 52.641 1.00 48.65  ? 160 ILE B CB    1 
ATOM   2616 C CG1   . ILE B 1 162 ? 10.873  50.404 51.338 1.00 44.14  ? 160 ILE B CG1   1 
ATOM   2617 C CG2   . ILE B 1 162 ? 10.970  52.656 52.436 1.00 48.51  ? 160 ILE B CG2   1 
ATOM   2618 C CD1   . ILE B 1 162 ? 10.818  48.916 51.412 1.00 43.30  ? 160 ILE B CD1   1 
ATOM   2619 N N     . HIS B 1 163 ? 14.282  52.671 53.205 1.00 48.59  ? 161 HIS B N     1 
ATOM   2620 C CA    . HIS B 1 163 ? 14.908  53.871 53.744 1.00 52.22  ? 161 HIS B CA    1 
ATOM   2621 C C     . HIS B 1 163 ? 13.884  54.981 53.928 1.00 51.70  ? 161 HIS B C     1 
ATOM   2622 O O     . HIS B 1 163 ? 13.114  55.271 53.013 1.00 55.18  ? 161 HIS B O     1 
ATOM   2623 C CB    . HIS B 1 163 ? 16.011  54.343 52.785 1.00 55.73  ? 161 HIS B CB    1 
ATOM   2624 C CG    . HIS B 1 163 ? 16.708  55.598 53.224 1.00 56.40  ? 161 HIS B CG    1 
ATOM   2625 N ND1   . HIS B 1 163 ? 17.911  55.586 53.893 1.00 53.45  ? 161 HIS B ND1   1 
ATOM   2626 C CD2   . HIS B 1 163 ? 16.357  56.903 53.109 1.00 59.75  ? 161 HIS B CD2   1 
ATOM   2627 C CE1   . HIS B 1 163 ? 18.279  56.827 54.159 1.00 58.67  ? 161 HIS B CE1   1 
ATOM   2628 N NE2   . HIS B 1 163 ? 17.351  57.647 53.701 1.00 58.33  ? 161 HIS B NE2   1 
ATOM   2629 N N     . VAL B 1 164 ? 13.863  55.619 55.103 1.00 52.56  ? 162 VAL B N     1 
ATOM   2630 C CA    . VAL B 1 164 ? 12.935  56.721 55.338 1.00 53.40  ? 162 VAL B CA    1 
ATOM   2631 C C     . VAL B 1 164 ? 13.591  57.953 55.935 1.00 53.09  ? 162 VAL B C     1 
ATOM   2632 O O     . VAL B 1 164 ? 12.897  58.929 56.215 1.00 48.34  ? 162 VAL B O     1 
ATOM   2633 C CB    . VAL B 1 164 ? 11.735  56.309 56.206 1.00 51.62  ? 162 VAL B CB    1 
ATOM   2634 C CG1   . VAL B 1 164 ? 10.508  57.059 55.714 1.00 52.02  ? 162 VAL B CG1   1 
ATOM   2635 C CG2   . VAL B 1 164 ? 11.498  54.824 56.157 1.00 50.61  ? 162 VAL B CG2   1 
ATOM   2636 N N     . GLY B 1 165 ? 14.901  57.949 56.135 1.00 59.72  ? 163 GLY B N     1 
ATOM   2637 C CA    . GLY B 1 165 ? 15.582  59.098 56.709 1.00 64.23  ? 163 GLY B CA    1 
ATOM   2638 C C     . GLY B 1 165 ? 17.011  58.764 57.106 1.00 65.17  ? 163 GLY B C     1 
ATOM   2639 O O     . GLY B 1 165 ? 17.439  57.598 57.110 1.00 62.82  ? 163 GLY B O     1 
ATOM   2640 N N     . GLY B 1 166 ? 17.752  59.822 57.437 1.00 66.42  ? 164 GLY B N     1 
ATOM   2641 C CA    . GLY B 1 166 ? 19.162  59.720 57.779 1.00 65.92  ? 164 GLY B CA    1 
ATOM   2642 C C     . GLY B 1 166 ? 19.689  61.067 58.231 1.00 70.22  ? 164 GLY B C     1 
ATOM   2643 O O     . GLY B 1 166 ? 18.967  62.069 58.237 1.00 72.50  ? 164 GLY B O     1 
ATOM   2644 N N     . ASN B 1 167 ? 20.962  61.077 58.635 1.00 75.48  ? 165 ASN B N     1 
ATOM   2645 C CA    . ASN B 1 167 ? 21.627  62.308 59.082 1.00 76.30  ? 165 ASN B CA    1 
ATOM   2646 C C     . ASN B 1 167 ? 23.134  62.115 59.010 1.00 75.78  ? 165 ASN B C     1 
ATOM   2647 O O     . ASN B 1 167 ? 23.675  61.190 59.622 1.00 76.68  ? 165 ASN B O     1 
ATOM   2648 C CB    . ASN B 1 167 ? 21.188  62.721 60.490 1.00 69.99  ? 165 ASN B CB    1 
ATOM   2649 C CG    . ASN B 1 167 ? 21.907  61.958 61.587 1.00 72.28  ? 165 ASN B CG    1 
ATOM   2650 O OD1   . ASN B 1 167 ? 22.088  60.738 61.505 1.00 68.73  ? 165 ASN B OD1   1 
ATOM   2651 N ND2   . ASN B 1 167 ? 22.314  62.673 62.631 1.00 76.86  ? 165 ASN B ND2   1 
ATOM   2652 N N     . GLY B 1 168 ? 23.798  62.915 58.183 1.00 76.30  ? 166 GLY B N     1 
ATOM   2653 C CA    . GLY B 1 168 ? 25.242  62.842 58.101 1.00 79.22  ? 166 GLY B CA    1 
ATOM   2654 C C     . GLY B 1 168 ? 25.707  61.510 57.555 1.00 86.28  ? 166 GLY B C     1 
ATOM   2655 O O     . GLY B 1 168 ? 25.605  61.273 56.348 1.00 90.35  ? 166 GLY B O     1 
ATOM   2656 N N     . HIS B 1 169 ? 26.181  60.616 58.444 1.00 83.08  ? 167 HIS B N     1 
ATOM   2657 C CA    . HIS B 1 169 ? 26.693  59.295 58.072 1.00 85.15  ? 167 HIS B CA    1 
ATOM   2658 C C     . HIS B 1 169 ? 25.846  58.162 58.650 1.00 80.37  ? 167 HIS B C     1 
ATOM   2659 O O     . HIS B 1 169 ? 26.341  57.042 58.816 1.00 79.81  ? 167 HIS B O     1 
ATOM   2660 C CB    . HIS B 1 169 ? 28.144  59.087 58.522 1.00 88.41  ? 167 HIS B CB    1 
ATOM   2661 C CG    . HIS B 1 169 ? 29.027  60.291 58.405 1.00 88.15  ? 167 HIS B CG    1 
ATOM   2662 N ND1   . HIS B 1 169 ? 28.830  61.281 57.466 1.00 92.14  ? 167 HIS B ND1   1 
ATOM   2663 C CD2   . HIS B 1 169 ? 30.130  60.649 59.106 1.00 88.99  ? 167 HIS B CD2   1 
ATOM   2664 C CE1   . HIS B 1 169 ? 29.767  62.203 57.602 1.00 93.10  ? 167 HIS B CE1   1 
ATOM   2665 N NE2   . HIS B 1 169 ? 30.564  61.847 58.596 1.00 91.77  ? 167 HIS B NE2   1 
ATOM   2666 N N     . GLN B 1 170 ? 24.569  58.422 58.932 1.00 75.40  ? 168 GLN B N     1 
ATOM   2667 C CA    . GLN B 1 170 ? 23.683  57.438 59.537 1.00 71.28  ? 168 GLN B CA    1 
ATOM   2668 C C     . GLN B 1 170 ? 22.387  57.410 58.746 1.00 69.51  ? 168 GLN B C     1 
ATOM   2669 O O     . GLN B 1 170 ? 21.813  58.462 58.454 1.00 70.95  ? 168 GLN B O     1 
ATOM   2670 C CB    . GLN B 1 170 ? 23.426  57.775 61.020 1.00 72.72  ? 168 GLN B CB    1 
ATOM   2671 C CG    . GLN B 1 170 ? 24.730  57.847 61.900 1.00 77.94  ? 168 GLN B CG    1 
ATOM   2672 C CD    . GLN B 1 170 ? 25.424  59.225 61.881 1.00 79.98  ? 168 GLN B CD    1 
ATOM   2673 O OE1   . GLN B 1 170 ? 26.663  59.323 61.864 1.00 78.50  ? 168 GLN B OE1   1 
ATOM   2674 N NE2   . GLN B 1 170 ? 24.623  60.289 61.895 1.00 80.80  ? 168 GLN B NE2   1 
ATOM   2675 N N     . GLY B 1 171 ? 21.936  56.223 58.383 1.00 63.18  ? 169 GLY B N     1 
ATOM   2676 C CA    . GLY B 1 171 ? 20.720  56.080 57.603 1.00 57.94  ? 169 GLY B CA    1 
ATOM   2677 C C     . GLY B 1 171 ? 19.806  55.049 58.218 1.00 56.70  ? 169 GLY B C     1 
ATOM   2678 O O     . GLY B 1 171 ? 20.248  53.979 58.638 1.00 56.68  ? 169 GLY B O     1 
ATOM   2679 N N     . PHE B 1 172 ? 18.517  55.362 58.223 1.00 57.52  ? 170 PHE B N     1 
ATOM   2680 C CA    . PHE B 1 172 ? 17.508  54.552 58.888 1.00 56.66  ? 170 PHE B CA    1 
ATOM   2681 C C     . PHE B 1 172 ? 16.445  54.085 57.903 1.00 53.91  ? 170 PHE B C     1 
ATOM   2682 O O     . PHE B 1 172 ? 15.990  54.847 57.040 1.00 53.52  ? 170 PHE B O     1 
ATOM   2683 C CB    . PHE B 1 172 ? 16.832  55.321 60.025 1.00 55.40  ? 170 PHE B CB    1 
ATOM   2684 C CG    . PHE B 1 172 ? 17.789  56.001 60.959 1.00 53.73  ? 170 PHE B CG    1 
ATOM   2685 C CD1   . PHE B 1 172 ? 18.583  55.254 61.824 1.00 55.09  ? 170 PHE B CD1   1 
ATOM   2686 C CD2   . PHE B 1 172 ? 17.874  57.385 60.999 1.00 55.27  ? 170 PHE B CD2   1 
ATOM   2687 C CE1   . PHE B 1 172 ? 19.467  55.878 62.704 1.00 57.93  ? 170 PHE B CE1   1 
ATOM   2688 C CE2   . PHE B 1 172 ? 18.753  58.017 61.873 1.00 58.14  ? 170 PHE B CE2   1 
ATOM   2689 C CZ    . PHE B 1 172 ? 19.549  57.260 62.727 1.00 59.45  ? 170 PHE B CZ    1 
ATOM   2690 N N     . SER B 1 173 ? 16.060  52.822 58.032 1.00 50.71  ? 171 SER B N     1 
ATOM   2691 C CA    . SER B 1 173 ? 15.029  52.252 57.181 1.00 48.79  ? 171 SER B CA    1 
ATOM   2692 C C     . SER B 1 173 ? 13.944  51.642 58.037 1.00 46.32  ? 171 SER B C     1 
ATOM   2693 O O     . SER B 1 173 ? 14.230  50.805 58.892 1.00 51.31  ? 171 SER B O     1 
ATOM   2694 C CB    . SER B 1 173 ? 15.597  51.196 56.236 1.00 47.80  ? 171 SER B CB    1 
ATOM   2695 O OG    . SER B 1 173 ? 16.735  51.705 55.586 1.00 49.64  ? 171 SER B OG    1 
ATOM   2696 N N     . ALA B 1 174 ? 12.712  52.048 57.784 1.00 44.49  ? 172 ALA B N     1 
ATOM   2697 C CA    . ALA B 1 174 ? 11.577  51.340 58.328 1.00 44.10  ? 172 ALA B CA    1 
ATOM   2698 C C     . ALA B 1 174 ? 11.692  49.860 58.008 1.00 42.53  ? 172 ALA B C     1 
ATOM   2699 O O     . ALA B 1 174 ? 11.860  49.476 56.852 1.00 44.03  ? 172 ALA B O     1 
ATOM   2700 C CB    . ALA B 1 174 ? 10.294  51.906 57.720 1.00 47.37  ? 172 ALA B CB    1 
ATOM   2701 N N     . ALA B 1 175 ? 11.585  49.025 59.033 1.00 45.79  ? 173 ALA B N     1 
ATOM   2702 C CA    . ALA B 1 175 ? 11.627  47.596 58.780 1.00 47.94  ? 173 ALA B CA    1 
ATOM   2703 C C     . ALA B 1 175 ? 10.398  47.152 57.983 1.00 46.59  ? 173 ALA B C     1 
ATOM   2704 O O     . ALA B 1 175 ? 9.339   47.787 58.014 1.00 49.61  ? 173 ALA B O     1 
ATOM   2705 C CB    . ALA B 1 175 ? 11.703  46.830 60.099 1.00 47.83  ? 173 ALA B CB    1 
ATOM   2706 N N     . LEU B 1 176 ? 10.538  46.019 57.295 1.00 44.60  ? 174 LEU B N     1 
ATOM   2707 C CA    . LEU B 1 176 ? 9.458   45.407 56.527 1.00 48.95  ? 174 LEU B CA    1 
ATOM   2708 C C     . LEU B 1 176 ? 9.215   44.010 57.058 1.00 50.91  ? 174 LEU B C     1 
ATOM   2709 O O     . LEU B 1 176 ? 9.996   43.096 56.784 1.00 51.26  ? 174 LEU B O     1 
ATOM   2710 C CB    . LEU B 1 176 ? 9.779   45.357 55.037 1.00 51.28  ? 174 LEU B CB    1 
ATOM   2711 C CG    . LEU B 1 176 ? 8.979   46.230 54.073 1.00 46.33  ? 174 LEU B CG    1 
ATOM   2712 C CD1   . LEU B 1 176 ? 9.076   47.718 54.343 1.00 44.21  ? 174 LEU B CD1   1 
ATOM   2713 C CD2   . LEU B 1 176 ? 9.533   45.926 52.699 1.00 46.35  ? 174 LEU B CD2   1 
ATOM   2714 N N     . LEU B 1 177 ? 8.115   43.841 57.783 1.00 55.79  ? 175 LEU B N     1 
ATOM   2715 C CA    . LEU B 1 177 ? 7.820   42.573 58.427 1.00 59.42  ? 175 LEU B CA    1 
ATOM   2716 C C     . LEU B 1 177 ? 6.807   41.801 57.600 1.00 54.55  ? 175 LEU B C     1 
ATOM   2717 O O     . LEU B 1 177 ? 5.856   42.383 57.069 1.00 51.76  ? 175 LEU B O     1 
ATOM   2718 C CB    . LEU B 1 177 ? 7.278   42.784 59.841 1.00 63.03  ? 175 LEU B CB    1 
ATOM   2719 C CG    . LEU B 1 177 ? 8.355   43.373 60.738 1.00 66.91  ? 175 LEU B CG    1 
ATOM   2720 C CD1   . LEU B 1 177 ? 9.719   42.812 60.344 1.00 77.53  ? 175 LEU B CD1   1 
ATOM   2721 C CD2   . LEU B 1 177 ? 8.344   44.879 60.736 1.00 57.11  ? 175 LEU B CD2   1 
ATOM   2722 N N     . LYS B 1 178 ? 6.982   40.478 57.547 1.00 54.11  ? 176 LYS B N     1 
ATOM   2723 C CA    . LYS B 1 178 ? 6.117   39.662 56.703 1.00 52.61  ? 176 LYS B CA    1 
ATOM   2724 C C     . LYS B 1 178 ? 4.646   39.858 57.063 1.00 55.20  ? 176 LYS B C     1 
ATOM   2725 O O     . LYS B 1 178 ? 3.780   39.932 56.180 1.00 55.70  ? 176 LYS B O     1 
ATOM   2726 C CB    . LYS B 1 178 ? 6.504   38.193 56.819 1.00 54.14  ? 176 LYS B CB    1 
ATOM   2727 C CG    . LYS B 1 178 ? 5.736   37.298 55.868 1.00 47.58  ? 176 LYS B CG    1 
ATOM   2728 C CD    . LYS B 1 178 ? 6.209   35.863 55.962 1.00 45.61  ? 176 LYS B CD    1 
ATOM   2729 C CE    . LYS B 1 178 ? 7.503   35.654 55.185 1.00 51.68  ? 176 LYS B CE    1 
ATOM   2730 N NZ    . LYS B 1 178 ? 8.150   34.326 55.456 1.00 52.17  ? 176 LYS B NZ    1 
ATOM   2731 N N     . HIS B 1 179 ? 4.348   39.965 58.357 1.00 57.29  ? 177 HIS B N     1 
ATOM   2732 C CA    . HIS B 1 179 ? 2.970   40.001 58.805 1.00 51.48  ? 177 HIS B CA    1 
ATOM   2733 C C     . HIS B 1 179 ? 2.243   41.238 58.310 1.00 49.49  ? 177 HIS B C     1 
ATOM   2734 O O     . HIS B 1 179 ? 1.008   41.227 58.290 1.00 54.78  ? 177 HIS B O     1 
ATOM   2735 C CB    . HIS B 1 179 ? 2.938   39.856 60.350 1.00 59.31  ? 177 HIS B CB    1 
ATOM   2736 C CG    . HIS B 1 179 ? 3.048   41.144 61.132 1.00 60.29  ? 177 HIS B CG    1 
ATOM   2737 N ND1   . HIS B 1 179 ? 2.032   42.077 61.204 1.00 58.00  ? 177 HIS B ND1   1 
ATOM   2738 C CD2   . HIS B 1 179 ? 4.052   41.628 61.905 1.00 58.76  ? 177 HIS B CD2   1 
ATOM   2739 C CE1   . HIS B 1 179 ? 2.413   43.087 61.969 1.00 56.19  ? 177 HIS B CE1   1 
ATOM   2740 N NE2   . HIS B 1 179 ? 3.636   42.840 62.403 1.00 56.99  ? 177 HIS B NE2   1 
ATOM   2741 N N     . TYR B 1 180 ? 2.963   42.284 57.885 1.00 45.06  ? 178 TYR B N     1 
ATOM   2742 C CA    . TYR B 1 180 ? 2.300   43.494 57.394 1.00 47.15  ? 178 TYR B CA    1 
ATOM   2743 C C     . TYR B 1 180 ? 1.424   43.247 56.158 1.00 50.56  ? 178 TYR B C     1 
ATOM   2744 O O     . TYR B 1 180 ? 0.566   44.087 55.844 1.00 47.29  ? 178 TYR B O     1 
ATOM   2745 C CB    . TYR B 1 180 ? 3.316   44.546 56.990 1.00 48.54  ? 178 TYR B CB    1 
ATOM   2746 C CG    . TYR B 1 180 ? 4.102   45.269 58.042 1.00 51.52  ? 178 TYR B CG    1 
ATOM   2747 C CD1   . TYR B 1 180 ? 4.166   44.812 59.334 1.00 55.75  ? 178 TYR B CD1   1 
ATOM   2748 C CD2   . TYR B 1 180 ? 4.940   46.331 57.676 1.00 52.06  ? 178 TYR B CD2   1 
ATOM   2749 C CE1   . TYR B 1 180 ? 4.961   45.477 60.289 1.00 61.29  ? 178 TYR B CE1   1 
ATOM   2750 C CE2   . TYR B 1 180 ? 5.751   46.988 58.590 1.00 53.00  ? 178 TYR B CE2   1 
ATOM   2751 C CZ    . TYR B 1 180 ? 5.760   46.567 59.907 1.00 61.27  ? 178 TYR B CZ    1 
ATOM   2752 O OH    . TYR B 1 180 ? 6.559   47.214 60.858 1.00 60.13  ? 178 TYR B OH    1 
ATOM   2753 N N     . PHE B 1 181 ? 1.633   42.144 55.431 1.00 51.78  ? 179 PHE B N     1 
ATOM   2754 C CA    . PHE B 1 181 ? 1.001   41.934 54.136 1.00 52.33  ? 179 PHE B CA    1 
ATOM   2755 C C     . PHE B 1 181 ? 0.072   40.734 54.202 1.00 58.47  ? 179 PHE B C     1 
ATOM   2756 O O     . PHE B 1 181 ? 0.509   39.608 54.473 1.00 55.75  ? 179 PHE B O     1 
ATOM   2757 C CB    . PHE B 1 181 ? 2.067   41.790 53.054 1.00 49.68  ? 179 PHE B CB    1 
ATOM   2758 C CG    . PHE B 1 181 ? 2.995   42.970 53.004 1.00 46.63  ? 179 PHE B CG    1 
ATOM   2759 C CD1   . PHE B 1 181 ? 2.541   44.196 52.543 1.00 41.97  ? 179 PHE B CD1   1 
ATOM   2760 C CD2   . PHE B 1 181 ? 4.303   42.873 53.506 1.00 48.37  ? 179 PHE B CD2   1 
ATOM   2761 C CE1   . PHE B 1 181 ? 3.366   45.293 52.524 1.00 42.52  ? 179 PHE B CE1   1 
ATOM   2762 C CE2   . PHE B 1 181 ? 5.158   43.978 53.506 1.00 45.97  ? 179 PHE B CE2   1 
ATOM   2763 C CZ    . PHE B 1 181 ? 4.683   45.197 53.009 1.00 45.97  ? 179 PHE B CZ    1 
ATOM   2764 N N     . ASN B 1 182 ? -1.203  40.988 53.908 1.00 74.32  ? 180 ASN B N     1 
ATOM   2765 C CA    . ASN B 1 182 ? -2.300  40.076 54.180 1.00 75.29  ? 180 ASN B CA    1 
ATOM   2766 C C     . ASN B 1 182 ? -2.283  39.673 55.652 1.00 75.94  ? 180 ASN B C     1 
ATOM   2767 O O     . ASN B 1 182 ? -2.555  40.496 56.542 1.00 75.77  ? 180 ASN B O     1 
ATOM   2768 C CB    . ASN B 1 182 ? -2.251  38.850 53.287 1.00 75.94  ? 180 ASN B CB    1 
ATOM   2769 C CG    . ASN B 1 182 ? -3.561  38.640 52.567 1.00 76.53  ? 180 ASN B CG    1 
ATOM   2770 O OD1   . ASN B 1 182 ? -4.561  39.258 52.929 1.00 76.66  ? 180 ASN B OD1   1 
ATOM   2771 N ND2   . ASN B 1 182 ? -3.563  37.812 51.515 1.00 77.03  ? 180 ASN B ND2   1 
ATOM   2772 P P     . G   C 2 2   ? 38.176  26.046 63.158 1.00 215.34 ? 1   G   C P     1 
ATOM   2773 O OP1   . G   C 2 2   ? 36.730  26.381 63.167 1.00 216.55 ? 1   G   C OP1   1 
ATOM   2774 O OP2   . G   C 2 2   ? 38.646  24.839 62.435 1.00 212.46 ? 1   G   C OP2   1 
ATOM   2775 O "O5'" . G   C 2 2   ? 38.957  27.316 62.595 1.00 219.79 ? 1   G   C "O5'" 1 
ATOM   2776 C "C5'" . G   C 2 2   ? 38.705  28.612 63.118 1.00 221.64 ? 1   G   C "C5'" 1 
ATOM   2777 C "C4'" . G   C 2 2   ? 39.493  29.675 62.392 1.00 224.60 ? 1   G   C "C4'" 1 
ATOM   2778 O "O4'" . G   C 2 2   ? 40.912  29.417 62.527 1.00 223.05 ? 1   G   C "O4'" 1 
ATOM   2779 C "C3'" . G   C 2 2   ? 39.271  29.769 60.889 1.00 227.79 ? 1   G   C "C3'" 1 
ATOM   2780 O "O3'" . G   C 2 2   ? 38.107  30.512 60.562 1.00 232.13 ? 1   G   C "O3'" 1 
ATOM   2781 C "C2'" . G   C 2 2   ? 40.560  30.420 60.394 1.00 226.75 ? 1   G   C "C2'" 1 
ATOM   2782 O "O2'" . G   C 2 2   ? 40.504  31.831 60.553 1.00 228.26 ? 1   G   C "O2'" 1 
ATOM   2783 C "C1'" . G   C 2 2   ? 41.595  29.866 61.377 1.00 222.30 ? 1   G   C "C1'" 1 
ATOM   2784 N N9    . G   C 2 2   ? 42.394  28.752 60.830 1.00 217.84 ? 1   G   C N9    1 
ATOM   2785 C C8    . G   C 2 2   ? 42.269  27.420 61.145 1.00 216.40 ? 1   G   C C8    1 
ATOM   2786 N N7    . G   C 2 2   ? 43.131  26.665 60.524 1.00 214.05 ? 1   G   C N7    1 
ATOM   2787 C C5    . G   C 2 2   ? 43.878  27.553 59.761 1.00 213.73 ? 1   G   C C5    1 
ATOM   2788 C C6    . G   C 2 2   ? 44.961  27.318 58.876 1.00 210.25 ? 1   G   C C6    1 
ATOM   2789 O O6    . G   C 2 2   ? 45.485  26.238 58.589 1.00 208.73 ? 1   G   C O6    1 
ATOM   2790 N N1    . G   C 2 2   ? 45.442  28.492 58.296 1.00 210.18 ? 1   G   C N1    1 
ATOM   2791 C C2    . G   C 2 2   ? 44.932  29.746 58.538 1.00 212.77 ? 1   G   C C2    1 
ATOM   2792 N N2    . G   C 2 2   ? 45.524  30.769 57.895 1.00 210.37 ? 1   G   C N2    1 
ATOM   2793 N N3    . G   C 2 2   ? 43.922  29.980 59.370 1.00 216.55 ? 1   G   C N3    1 
ATOM   2794 C C4    . G   C 2 2   ? 43.443  28.848 59.940 1.00 216.82 ? 1   G   C C4    1 
ATOM   2795 P P     . U   C 2 3   ? 37.227  30.135 59.270 1.00 237.88 ? 2   U   C P     1 
ATOM   2796 O OP1   . U   C 2 3   ? 35.950  30.891 59.358 1.00 240.95 ? 2   U   C OP1   1 
ATOM   2797 O OP2   . U   C 2 3   ? 37.197  28.654 59.152 1.00 235.58 ? 2   U   C OP2   1 
ATOM   2798 O "O5'" . U   C 2 3   ? 38.057  30.727 58.042 1.00 237.54 ? 2   U   C "O5'" 1 
ATOM   2799 C "C5'" . U   C 2 3   ? 38.054  32.120 57.758 1.00 237.99 ? 2   U   C "C5'" 1 
ATOM   2800 C "C4'" . U   C 2 3   ? 39.241  32.526 56.916 1.00 237.26 ? 2   U   C "C4'" 1 
ATOM   2801 O "O4'" . U   C 2 3   ? 40.447  31.908 57.437 1.00 236.45 ? 2   U   C "O4'" 1 
ATOM   2802 C "C3'" . U   C 2 3   ? 39.214  32.106 55.452 1.00 231.87 ? 2   U   C "C3'" 1 
ATOM   2803 O "O3'" . U   C 2 3   ? 38.432  32.967 54.638 1.00 233.20 ? 2   U   C "O3'" 1 
ATOM   2804 C "C2'" . U   C 2 3   ? 40.692  32.108 55.079 1.00 231.33 ? 2   U   C "C2'" 1 
ATOM   2805 O "O2'" . U   C 2 3   ? 41.143  33.429 54.823 1.00 236.00 ? 2   U   C "O2'" 1 
ATOM   2806 C "C1'" . U   C 2 3   ? 41.338  31.623 56.378 1.00 232.88 ? 2   U   C "C1'" 1 
ATOM   2807 N N1    . U   C 2 3   ? 41.621  30.168 56.359 1.00 227.69 ? 2   U   C N1    1 
ATOM   2808 C C2    . U   C 2 3   ? 42.677  29.731 55.579 1.00 224.70 ? 2   U   C C2    1 
ATOM   2809 O O2    . U   C 2 3   ? 43.370  30.483 54.915 1.00 226.36 ? 2   U   C O2    1 
ATOM   2810 N N3    . U   C 2 3   ? 42.898  28.375 55.598 1.00 221.20 ? 2   U   C N3    1 
ATOM   2811 C C4    . U   C 2 3   ? 42.187  27.429 56.305 1.00 221.39 ? 2   U   C C4    1 
ATOM   2812 O O4    . U   C 2 3   ? 42.509  26.243 56.219 1.00 218.84 ? 2   U   C O4    1 
ATOM   2813 C C5    . U   C 2 3   ? 41.112  27.958 57.090 1.00 226.09 ? 2   U   C C5    1 
ATOM   2814 C C6    . U   C 2 3   ? 40.873  29.275 57.091 1.00 226.97 ? 2   U   C C6    1 
ATOM   2815 P P     . A   C 2 4   ? 37.784  32.432 53.263 1.00 212.57 ? 3   A   C P     1 
ATOM   2816 O OP1   . A   C 2 4   ? 36.935  33.517 52.705 1.00 203.83 ? 3   A   C OP1   1 
ATOM   2817 O OP2   . A   C 2 4   ? 37.193  31.094 53.527 1.00 208.08 ? 3   A   C OP2   1 
ATOM   2818 O "O5'" . A   C 2 4   ? 39.025  32.248 52.274 1.00 206.11 ? 3   A   C "O5'" 1 
ATOM   2819 C "C5'" . A   C 2 4   ? 39.304  33.207 51.260 1.00 199.79 ? 3   A   C "C5'" 1 
ATOM   2820 C "C4'" . A   C 2 4   ? 40.435  32.765 50.358 1.00 194.86 ? 3   A   C "C4'" 1 
ATOM   2821 O "O4'" . A   C 2 4   ? 41.454  32.099 51.143 1.00 193.54 ? 3   A   C "O4'" 1 
ATOM   2822 C "C3'" . A   C 2 4   ? 40.082  31.763 49.262 1.00 192.61 ? 3   A   C "C3'" 1 
ATOM   2823 O "O3'" . A   C 2 4   ? 39.541  32.396 48.108 1.00 194.40 ? 3   A   C "O3'" 1 
ATOM   2824 C "C2'" . A   C 2 4   ? 41.410  31.058 48.999 1.00 190.62 ? 3   A   C "C2'" 1 
ATOM   2825 O "O2'" . A   C 2 4   ? 42.209  31.813 48.100 1.00 190.40 ? 3   A   C "O2'" 1 
ATOM   2826 C "C1'" . A   C 2 4   ? 42.073  31.088 50.381 1.00 189.34 ? 3   A   C "C1'" 1 
ATOM   2827 N N9    . A   C 2 4   ? 41.963  29.809 51.110 1.00 191.56 ? 3   A   C N9    1 
ATOM   2828 C C8    . A   C 2 4   ? 41.225  29.548 52.237 1.00 197.42 ? 3   A   C C8    1 
ATOM   2829 N N7    . A   C 2 4   ? 41.339  28.316 52.670 1.00 197.44 ? 3   A   C N7    1 
ATOM   2830 C C5    . A   C 2 4   ? 42.217  27.727 51.774 1.00 191.54 ? 3   A   C C5    1 
ATOM   2831 C C6    . A   C 2 4   ? 42.744  26.429 51.684 1.00 189.79 ? 3   A   C C6    1 
ATOM   2832 N N6    . A   C 2 4   ? 42.451  25.448 52.541 1.00 188.91 ? 3   A   C N6    1 
ATOM   2833 N N1    . A   C 2 4   ? 43.596  26.168 50.670 1.00 189.65 ? 3   A   C N1    1 
ATOM   2834 C C2    . A   C 2 4   ? 43.889  27.151 49.810 1.00 189.95 ? 3   A   C C2    1 
ATOM   2835 N N3    . A   C 2 4   ? 43.458  28.410 49.791 1.00 188.77 ? 3   A   C N3    1 
ATOM   2836 C C4    . A   C 2 4   ? 42.615  28.637 50.811 1.00 190.29 ? 3   A   C C4    1 
ATOM   2837 P P     . A   C 2 5   ? 38.918  31.543 46.889 1.00 197.70 ? 4   A   C P     1 
ATOM   2838 O OP1   . A   C 2 5   ? 37.808  32.336 46.299 1.00 198.78 ? 4   A   C OP1   1 
ATOM   2839 O OP2   . A   C 2 5   ? 38.663  30.151 47.337 1.00 196.76 ? 4   A   C OP2   1 
ATOM   2840 O "O5'" . A   C 2 5   ? 40.084  31.493 45.806 1.00 194.27 ? 4   A   C "O5'" 1 
ATOM   2841 C "C5'" . A   C 2 5   ? 39.896  30.797 44.586 1.00 195.61 ? 4   A   C "C5'" 1 
ATOM   2842 C "C4'" . A   C 2 5   ? 41.038  29.855 44.299 1.00 198.03 ? 4   A   C "C4'" 1 
ATOM   2843 O "O4'" . A   C 2 5   ? 41.718  29.496 45.527 1.00 195.58 ? 4   A   C "O4'" 1 
ATOM   2844 C "C3'" . A   C 2 5   ? 40.648  28.519 43.694 1.00 200.16 ? 4   A   C "C3'" 1 
ATOM   2845 O "O3'" . A   C 2 5   ? 40.408  28.600 42.305 1.00 202.72 ? 4   A   C "O3'" 1 
ATOM   2846 C "C2'" . A   C 2 5   ? 41.825  27.626 44.058 1.00 197.89 ? 4   A   C "C2'" 1 
ATOM   2847 O "O2'" . A   C 2 5   ? 42.910  27.843 43.167 1.00 196.15 ? 4   A   C "O2'" 1 
ATOM   2848 C "C1'" . A   C 2 5   ? 42.210  28.174 45.432 1.00 195.27 ? 4   A   C "C1'" 1 
ATOM   2849 N N9    . A   C 2 5   ? 41.663  27.376 46.549 1.00 194.51 ? 4   A   C N9    1 
ATOM   2850 C C8    . A   C 2 5   ? 40.798  27.805 47.525 1.00 193.04 ? 4   A   C C8    1 
ATOM   2851 N N7    . A   C 2 5   ? 40.498  26.884 48.409 1.00 193.06 ? 4   A   C N7    1 
ATOM   2852 C C5    . A   C 2 5   ? 41.221  25.773 47.995 1.00 194.03 ? 4   A   C C5    1 
ATOM   2853 C C6    . A   C 2 5   ? 41.333  24.470 48.516 1.00 193.33 ? 4   A   C C6    1 
ATOM   2854 N N6    . A   C 2 5   ? 40.685  24.064 49.610 1.00 193.52 ? 4   A   C N6    1 
ATOM   2855 N N1    . A   C 2 5   ? 42.136  23.589 47.874 1.00 193.41 ? 4   A   C N1    1 
ATOM   2856 C C2    . A   C 2 5   ? 42.781  24.009 46.777 1.00 193.83 ? 4   A   C C2    1 
ATOM   2857 N N3    . A   C 2 5   ? 42.756  25.209 46.191 1.00 195.34 ? 4   A   C N3    1 
ATOM   2858 C C4    . A   C 2 5   ? 41.949  26.060 46.854 1.00 194.80 ? 4   A   C C4    1 
ATOM   2859 P P     . A   C 2 6   ? 39.091  27.923 41.696 1.00 209.29 ? 5   A   C P     1 
ATOM   2860 O OP1   . A   C 2 6   ? 39.081  28.205 40.237 1.00 212.81 ? 5   A   C OP1   1 
ATOM   2861 O OP2   . A   C 2 6   ? 37.938  28.331 42.545 1.00 211.01 ? 5   A   C OP2   1 
ATOM   2862 O "O5'" . A   C 2 6   ? 39.359  26.364 41.876 1.00 202.41 ? 5   A   C "O5'" 1 
ATOM   2863 C "C5'" . A   C 2 6   ? 40.498  25.772 41.279 1.00 201.10 ? 5   A   C "C5'" 1 
ATOM   2864 C "C4'" . A   C 2 6   ? 40.696  24.344 41.715 1.00 199.81 ? 5   A   C "C4'" 1 
ATOM   2865 O "O4'" . A   C 2 6   ? 41.096  24.275 43.106 1.00 201.40 ? 5   A   C "O4'" 1 
ATOM   2866 C "C3'" . A   C 2 6   ? 39.486  23.432 41.653 1.00 196.24 ? 5   A   C "C3'" 1 
ATOM   2867 O "O3'" . A   C 2 6   ? 39.170  23.018 40.339 1.00 192.28 ? 5   A   C "O3'" 1 
ATOM   2868 C "C2'" . A   C 2 6   ? 39.902  22.285 42.565 1.00 195.89 ? 5   A   C "C2'" 1 
ATOM   2869 O "O2'" . A   C 2 6   ? 40.779  21.398 41.885 1.00 192.62 ? 5   A   C "O2'" 1 
ATOM   2870 C "C1'" . A   C 2 6   ? 40.702  23.025 43.644 1.00 199.28 ? 5   A   C "C1'" 1 
ATOM   2871 N N9    . A   C 2 6   ? 39.927  23.223 44.889 1.00 202.30 ? 5   A   C N9    1 
ATOM   2872 C C8    . A   C 2 6   ? 39.222  24.320 45.325 1.00 203.20 ? 5   A   C C8    1 
ATOM   2873 N N7    . A   C 2 6   ? 38.645  24.146 46.495 1.00 202.07 ? 5   A   C N7    1 
ATOM   2874 C C5    . A   C 2 6   ? 38.988  22.848 46.862 1.00 200.06 ? 5   A   C C5    1 
ATOM   2875 C C6    . A   C 2 6   ? 38.694  22.051 47.996 1.00 196.66 ? 5   A   C C6    1 
ATOM   2876 N N6    . A   C 2 6   ? 37.950  22.450 49.033 1.00 195.09 ? 5   A   C N6    1 
ATOM   2877 N N1    . A   C 2 6   ? 39.199  20.796 48.038 1.00 195.33 ? 5   A   C N1    1 
ATOM   2878 C C2    . A   C 2 6   ? 39.948  20.383 47.005 1.00 196.50 ? 5   A   C C2    1 
ATOM   2879 N N3    . A   C 2 6   ? 40.292  21.031 45.893 1.00 198.01 ? 5   A   C N3    1 
ATOM   2880 C C4    . A   C 2 6   ? 39.776  22.273 45.879 1.00 200.15 ? 5   A   C C4    1 
ATOM   2881 P P     . A   C 2 7   ? 37.697  22.475 40.012 1.00 173.98 ? 6   A   C P     1 
ATOM   2882 O OP1   . A   C 2 7   ? 37.533  22.464 38.536 1.00 168.61 ? 6   A   C OP1   1 
ATOM   2883 O OP2   . A   C 2 7   ? 36.749  23.238 40.861 1.00 173.36 ? 6   A   C OP2   1 
ATOM   2884 O "O5'" . A   C 2 7   ? 37.714  20.964 40.521 1.00 166.73 ? 6   A   C "O5'" 1 
ATOM   2885 C "C5'" . A   C 2 7   ? 38.509  19.987 39.865 1.00 164.12 ? 6   A   C "C5'" 1 
ATOM   2886 C "C4'" . A   C 2 7   ? 38.552  18.687 40.630 1.00 162.76 ? 6   A   C "C4'" 1 
ATOM   2887 O "O4'" . A   C 2 7   ? 39.125  18.900 41.945 1.00 164.56 ? 6   A   C "O4'" 1 
ATOM   2888 C "C3'" . A   C 2 7   ? 37.215  18.021 40.916 1.00 158.93 ? 6   A   C "C3'" 1 
ATOM   2889 O "O3'" . A   C 2 7   ? 36.716  17.293 39.806 1.00 158.75 ? 6   A   C "O3'" 1 
ATOM   2890 C "C2'" . A   C 2 7   ? 37.533  17.142 42.119 1.00 158.13 ? 6   A   C "C2'" 1 
ATOM   2891 O "O2'" . A   C 2 7   ? 38.189  15.952 41.706 1.00 153.23 ? 6   A   C "O2'" 1 
ATOM   2892 C "C1'" . A   C 2 7   ? 38.541  18.009 42.874 1.00 161.24 ? 6   A   C "C1'" 1 
ATOM   2893 N N9    . A   C 2 7   ? 37.921  18.794 43.959 1.00 166.06 ? 6   A   C N9    1 
ATOM   2894 C C8    . A   C 2 7   ? 37.744  20.154 44.000 1.00 173.23 ? 6   A   C C8    1 
ATOM   2895 N N7    . A   C 2 7   ? 37.174  20.587 45.099 1.00 175.48 ? 6   A   C N7    1 
ATOM   2896 C C5    . A   C 2 7   ? 36.962  19.434 45.841 1.00 170.71 ? 6   A   C C5    1 
ATOM   2897 C C6    . A   C 2 7   ? 36.388  19.224 47.109 1.00 168.91 ? 6   A   C C6    1 
ATOM   2898 N N6    . A   C 2 7   ? 35.907  20.204 47.878 1.00 169.38 ? 6   A   C N6    1 
ATOM   2899 N N1    . A   C 2 7   ? 36.327  17.953 47.562 1.00 165.18 ? 6   A   C N1    1 
ATOM   2900 C C2    . A   C 2 7   ? 36.811  16.973 46.786 1.00 162.92 ? 6   A   C C2    1 
ATOM   2901 N N3    . A   C 2 7   ? 37.371  17.044 45.578 1.00 161.77 ? 6   A   C N3    1 
ATOM   2902 C C4    . A   C 2 7   ? 37.421  18.320 45.154 1.00 165.67 ? 6   A   C C4    1 
ATOM   2903 P P     . C   C 2 8   ? 35.146  16.965 39.684 1.00 159.68 ? 7   C   C P     1 
ATOM   2904 O OP1   . C   C 2 8   ? 34.936  16.311 38.367 1.00 160.92 ? 7   C   C OP1   1 
ATOM   2905 O OP2   . C   C 2 8   ? 34.381  18.192 40.036 1.00 157.42 ? 7   C   C OP2   1 
ATOM   2906 O "O5'" . C   C 2 8   ? 34.881  15.871 40.815 1.00 159.56 ? 7   C   C "O5'" 1 
ATOM   2907 C "C5'" . C   C 2 8   ? 35.344  14.534 40.672 1.00 157.37 ? 7   C   C "C5'" 1 
ATOM   2908 C "C4'" . C   C 2 8   ? 34.845  13.645 41.789 1.00 156.95 ? 7   C   C "C4'" 1 
ATOM   2909 O "O4'" . C   C 2 8   ? 35.452  14.037 43.053 1.00 155.83 ? 7   C   C "O4'" 1 
ATOM   2910 C "C3'" . C   C 2 8   ? 33.351  13.691 42.080 1.00 156.78 ? 7   C   C "C3'" 1 
ATOM   2911 O "O3'" . C   C 2 8   ? 32.558  12.952 41.164 1.00 155.71 ? 7   C   C "O3'" 1 
ATOM   2912 C "C2'" . C   C 2 8   ? 33.285  13.175 43.512 1.00 155.30 ? 7   C   C "C2'" 1 
ATOM   2913 O "O2'" . C   C 2 8   ? 33.440  11.763 43.542 1.00 156.07 ? 7   C   C "O2'" 1 
ATOM   2914 C "C1'" . C   C 2 8   ? 34.539  13.815 44.114 1.00 155.86 ? 7   C   C "C1'" 1 
ATOM   2915 N N1    . C   C 2 8   ? 34.226  15.109 44.773 1.00 156.22 ? 7   C   C N1    1 
ATOM   2916 C C2    . C   C 2 8   ? 33.737  15.125 46.095 1.00 155.69 ? 7   C   C C2    1 
ATOM   2917 O O2    . C   C 2 8   ? 33.588  14.047 46.697 1.00 155.70 ? 7   C   C O2    1 
ATOM   2918 N N3    . C   C 2 8   ? 33.444  16.318 46.683 1.00 154.81 ? 7   C   C N3    1 
ATOM   2919 C C4    . C   C 2 8   ? 33.615  17.459 46.006 1.00 154.95 ? 7   C   C C4    1 
ATOM   2920 N N4    . C   C 2 8   ? 33.326  18.615 46.606 1.00 153.78 ? 7   C   C N4    1 
ATOM   2921 C C5    . C   C 2 8   ? 34.100  17.469 44.668 1.00 157.38 ? 7   C   C C5    1 
ATOM   2922 C C6    . C   C 2 8   ? 34.388  16.290 44.100 1.00 156.70 ? 7   C   C C6    1 
ATOM   2923 P P     . A   C 2 9   ? 31.064  13.447 40.811 1.00 156.23 ? 8   A   C P     1 
ATOM   2924 O OP1   . A   C 2 9   ? 30.541  12.581 39.723 1.00 152.71 ? 8   A   C OP1   1 
ATOM   2925 O OP2   . A   C 2 9   ? 31.073  14.924 40.634 1.00 152.82 ? 8   A   C OP2   1 
ATOM   2926 O "O5'" . A   C 2 9   ? 30.229  13.137 42.130 1.00 151.86 ? 8   A   C "O5'" 1 
ATOM   2927 C "C5'" . A   C 2 9   ? 30.110  11.811 42.625 1.00 151.57 ? 8   A   C "C5'" 1 
ATOM   2928 C "C4'" . A   C 2 9   ? 29.515  11.799 44.008 1.00 151.30 ? 8   A   C "C4'" 1 
ATOM   2929 O "O4'" . A   C 2 9   ? 30.407  12.469 44.931 1.00 152.23 ? 8   A   C "O4'" 1 
ATOM   2930 C "C3'" . A   C 2 9   ? 28.203  12.545 44.162 1.00 149.03 ? 8   A   C "C3'" 1 
ATOM   2931 O "O3'" . A   C 2 9   ? 27.095  11.778 43.740 1.00 149.31 ? 8   A   C "O3'" 1 
ATOM   2932 C "C2'" . A   C 2 9   ? 28.185  12.879 45.644 1.00 148.80 ? 8   A   C "C2'" 1 
ATOM   2933 O "O2'" . A   C 2 9   ? 27.835  11.732 46.401 1.00 149.65 ? 8   A   C "O2'" 1 
ATOM   2934 C "C1'" . A   C 2 9   ? 29.657  13.163 45.904 1.00 150.30 ? 8   A   C "C1'" 1 
ATOM   2935 N N9    . A   C 2 9   ? 29.992  14.596 45.828 1.00 150.00 ? 8   A   C N9    1 
ATOM   2936 C C8    . A   C 2 9   ? 30.634  15.269 44.819 1.00 151.35 ? 8   A   C C8    1 
ATOM   2937 N N7    . A   C 2 9   ? 30.809  16.546 45.067 1.00 151.40 ? 8   A   C N7    1 
ATOM   2938 C C5    . A   C 2 9   ? 30.251  16.724 46.328 1.00 151.35 ? 8   A   C C5    1 
ATOM   2939 C C6    . A   C 2 9   ? 30.107  17.850 47.166 1.00 149.86 ? 8   A   C C6    1 
ATOM   2940 N N6    . A   C 2 9   ? 30.530  19.080 46.863 1.00 145.82 ? 8   A   C N6    1 
ATOM   2941 N N1    . A   C 2 9   ? 29.498  17.668 48.358 1.00 148.26 ? 8   A   C N1    1 
ATOM   2942 C C2    . A   C 2 9   ? 29.065  16.443 48.685 1.00 149.87 ? 8   A   C C2    1 
ATOM   2943 N N3    . A   C 2 9   ? 29.139  15.313 47.985 1.00 151.91 ? 8   A   C N3    1 
ATOM   2944 C C4    . A   C 2 9   ? 29.749  15.525 46.806 1.00 151.05 ? 8   A   C C4    1 
ATOM   2945 P P     . G   C 2 10  ? 25.776  12.505 43.188 1.00 152.07 ? 9   G   C P     1 
ATOM   2946 O OP1   . G   C 2 10  ? 25.393  11.852 41.909 1.00 154.78 ? 9   G   C OP1   1 
ATOM   2947 O OP2   . G   C 2 10  ? 25.979  13.976 43.234 1.00 150.25 ? 9   G   C OP2   1 
ATOM   2948 O "O5'" . G   C 2 10  ? 24.677  12.135 44.274 1.00 154.46 ? 9   G   C "O5'" 1 
ATOM   2949 C "C5'" . G   C 2 10  ? 25.035  11.406 45.442 1.00 154.68 ? 9   G   C "C5'" 1 
ATOM   2950 C "C4'" . G   C 2 10  ? 24.441  12.021 46.684 1.00 157.45 ? 9   G   C "C4'" 1 
ATOM   2951 O "O4'" . G   C 2 10  ? 25.312  13.073 47.196 1.00 156.14 ? 9   G   C "O4'" 1 
ATOM   2952 C "C3'" . G   C 2 10  ? 23.066  12.653 46.478 1.00 158.76 ? 9   G   C "C3'" 1 
ATOM   2953 O "O3'" . G   C 2 10  ? 22.192  12.312 47.539 1.00 160.32 ? 9   G   C "O3'" 1 
ATOM   2954 C "C2'" . G   C 2 10  ? 23.345  14.152 46.509 1.00 157.16 ? 9   G   C "C2'" 1 
ATOM   2955 O "O2'" . G   C 2 10  ? 22.267  14.941 46.967 1.00 151.08 ? 9   G   C "O2'" 1 
ATOM   2956 C "C1'" . G   C 2 10  ? 24.549  14.239 47.442 1.00 156.74 ? 9   G   C "C1'" 1 
ATOM   2957 N N9    . G   C 2 10  ? 25.361  15.428 47.169 1.00 154.13 ? 9   G   C N9    1 
ATOM   2958 C C8    . G   C 2 10  ? 26.064  15.689 46.015 1.00 151.54 ? 9   G   C C8    1 
ATOM   2959 N N7    . G   C 2 10  ? 26.663  16.848 46.030 1.00 149.06 ? 9   G   C N7    1 
ATOM   2960 C C5    . G   C 2 10  ? 26.319  17.396 47.259 1.00 151.26 ? 9   G   C C5    1 
ATOM   2961 C C6    . G   C 2 10  ? 26.676  18.643 47.834 1.00 154.39 ? 9   G   C C6    1 
ATOM   2962 O O6    . G   C 2 10  ? 27.391  19.534 47.356 1.00 155.29 ? 9   G   C O6    1 
ATOM   2963 N N1    . G   C 2 10  ? 26.117  18.802 49.097 1.00 156.97 ? 9   G   C N1    1 
ATOM   2964 C C2    . G   C 2 10  ? 25.318  17.882 49.729 1.00 156.59 ? 9   G   C C2    1 
ATOM   2965 N N2    . G   C 2 10  ? 24.878  18.232 50.948 1.00 159.91 ? 9   G   C N2    1 
ATOM   2966 N N3    . G   C 2 10  ? 24.973  16.715 49.204 1.00 153.58 ? 9   G   C N3    1 
ATOM   2967 C C4    . G   C 2 10  ? 25.510  16.536 47.976 1.00 151.02 ? 9   G   C C4    1 
ATOM   2968 P P     . C   C 2 11  ? 20.650  12.078 47.189 1.00 167.49 ? 10  C   C P     1 
ATOM   2969 O OP1   . C   C 2 11  ? 20.406  10.614 47.106 1.00 171.29 ? 10  C   C OP1   1 
ATOM   2970 O OP2   . C   C 2 11  ? 20.333  12.951 46.026 1.00 162.71 ? 10  C   C OP2   1 
ATOM   2971 O "O5'" . C   C 2 11  ? 19.886  12.634 48.465 1.00 168.82 ? 10  C   C "O5'" 1 
ATOM   2972 C "C5'" . C   C 2 11  ? 19.735  14.026 48.685 1.00 162.95 ? 10  C   C "C5'" 1 
ATOM   2973 C "C4'" . C   C 2 11  ? 18.669  14.246 49.714 1.00 162.60 ? 10  C   C "C4'" 1 
ATOM   2974 O "O4'" . C   C 2 11  ? 17.439  13.646 49.237 1.00 167.00 ? 10  C   C "O4'" 1 
ATOM   2975 C "C3'" . C   C 2 11  ? 18.963  13.557 51.034 1.00 164.95 ? 10  C   C "C3'" 1 
ATOM   2976 O "O3'" . C   C 2 11  ? 19.694  14.410 51.896 1.00 161.97 ? 10  C   C "O3'" 1 
ATOM   2977 C "C2'" . C   C 2 11  ? 17.586  13.170 51.565 1.00 169.89 ? 10  C   C "C2'" 1 
ATOM   2978 O "O2'" . C   C 2 11  ? 17.007  14.243 52.293 1.00 172.19 ? 10  C   C "O2'" 1 
ATOM   2979 C "C1'" . C   C 2 11  ? 16.780  12.967 50.278 1.00 171.41 ? 10  C   C "C1'" 1 
ATOM   2980 N N1    . C   C 2 11  ? 16.591  11.550 49.865 1.00 173.55 ? 10  C   C N1    1 
ATOM   2981 C C2    . C   C 2 11  ? 15.970  10.567 50.670 1.00 177.30 ? 10  C   C C2    1 
ATOM   2982 O O2    . C   C 2 11  ? 15.599  10.841 51.827 1.00 176.80 ? 10  C   C O2    1 
ATOM   2983 N N3    . C   C 2 11  ? 15.821  9.307  50.169 1.00 179.27 ? 10  C   C N3    1 
ATOM   2984 C C4    . C   C 2 11  ? 16.226  9.016  48.927 1.00 177.84 ? 10  C   C C4    1 
ATOM   2985 N N4    . C   C 2 11  ? 16.062  7.772  48.465 1.00 178.46 ? 10  C   C N4    1 
ATOM   2986 C C5    . C   C 2 11  ? 16.828  9.996  48.089 1.00 173.21 ? 10  C   C C5    1 
ATOM   2987 C C6    . C   C 2 11  ? 16.975  11.227 48.590 1.00 171.76 ? 10  C   C C6    1 
ATOM   2988 P P     . C   C 2 12  ? 20.880  13.835 52.807 1.00 160.07 ? 11  C   C P     1 
ATOM   2989 O OP1   . C   C 2 12  ? 21.783  14.980 53.099 1.00 154.14 ? 11  C   C OP1   1 
ATOM   2990 O OP2   . C   C 2 12  ? 21.419  12.617 52.149 1.00 156.94 ? 11  C   C OP2   1 
ATOM   2991 O "O5'" . C   C 2 12  ? 20.148  13.408 54.160 1.00 156.08 ? 11  C   C "O5'" 1 
ATOM   2992 C "C5'" . C   C 2 12  ? 20.353  12.126 54.732 1.00 155.74 ? 11  C   C "C5'" 1 
ATOM   2993 C "C4'" . C   C 2 12  ? 19.077  11.560 55.303 1.00 159.69 ? 11  C   C "C4'" 1 
ATOM   2994 O "O4'" . C   C 2 12  ? 18.131  11.290 54.234 1.00 161.49 ? 11  C   C "O4'" 1 
ATOM   2995 C "C3'" . C   C 2 12  ? 19.217  10.226 56.016 1.00 162.64 ? 11  C   C "C3'" 1 
ATOM   2996 O "O3'" . C   C 2 12  ? 19.673  10.362 57.348 1.00 165.35 ? 11  C   C "O3'" 1 
ATOM   2997 C "C2'" . C   C 2 12  ? 17.817  9.640  55.912 1.00 162.76 ? 11  C   C "C2'" 1 
ATOM   2998 O "O2'" . C   C 2 12  ? 16.955  10.221 56.878 1.00 159.78 ? 11  C   C "O2'" 1 
ATOM   2999 C "C1'" . C   C 2 12  ? 17.388  10.124 54.529 1.00 163.47 ? 11  C   C "C1'" 1 
ATOM   3000 N N1    . C   C 2 12  ? 17.637  9.120  53.465 1.00 167.16 ? 11  C   C N1    1 
ATOM   3001 C C2    . C   C 2 12  ? 17.005  7.865  53.498 1.00 170.64 ? 11  C   C C2    1 
ATOM   3002 O O2    . C   C 2 12  ? 16.244  7.569  54.434 1.00 170.72 ? 11  C   C O2    1 
ATOM   3003 N N3    . C   C 2 12  ? 17.246  6.978  52.502 1.00 174.16 ? 11  C   C N3    1 
ATOM   3004 C C4    . C   C 2 12  ? 18.067  7.290  51.497 1.00 172.58 ? 11  C   C C4    1 
ATOM   3005 N N4    . C   C 2 12  ? 18.270  6.377  50.542 1.00 172.75 ? 11  C   C N4    1 
ATOM   3006 C C5    . C   C 2 12  ? 18.717  8.557  51.433 1.00 169.26 ? 11  C   C C5    1 
ATOM   3007 C C6    . C   C 2 12  ? 18.473  9.426  52.424 1.00 167.19 ? 11  C   C C6    1 
ATOM   3008 P P     . U   C 2 13  ? 20.804  9.371  57.911 1.00 175.98 ? 12  U   C P     1 
ATOM   3009 O OP1   . U   C 2 13  ? 20.947  9.639  59.366 1.00 173.49 ? 12  U   C OP1   1 
ATOM   3010 O OP2   . U   C 2 13  ? 21.985  9.479  57.018 1.00 171.22 ? 12  U   C OP2   1 
ATOM   3011 O "O5'" . U   C 2 13  ? 20.164  7.921  57.741 1.00 174.65 ? 12  U   C "O5'" 1 
ATOM   3012 C "C5'" . U   C 2 13  ? 19.003  7.558  58.473 1.00 175.43 ? 12  U   C "C5'" 1 
ATOM   3013 C "C4'" . U   C 2 13  ? 18.746  6.072  58.442 1.00 177.20 ? 12  U   C "C4'" 1 
ATOM   3014 O "O4'" . U   C 2 13  ? 18.002  5.701  57.255 1.00 180.30 ? 12  U   C "O4'" 1 
ATOM   3015 C "C3'" . U   C 2 13  ? 19.961  5.163  58.396 1.00 175.87 ? 12  U   C "C3'" 1 
ATOM   3016 O "O3'" . U   C 2 13  ? 20.611  5.042  59.648 1.00 174.56 ? 12  U   C "O3'" 1 
ATOM   3017 C "C2'" . U   C 2 13  ? 19.366  3.854  57.889 1.00 176.70 ? 12  U   C "C2'" 1 
ATOM   3018 O "O2'" . U   C 2 13  ? 18.712  3.154  58.937 1.00 174.96 ? 12  U   C "O2'" 1 
ATOM   3019 C "C1'" . U   C 2 13  ? 18.297  4.360  56.917 1.00 182.33 ? 12  U   C "C1'" 1 
ATOM   3020 N N1    . U   C 2 13  ? 18.735  4.279  55.507 1.00 185.48 ? 12  U   C N1    1 
ATOM   3021 C C2    . U   C 2 13  ? 18.498  3.067  54.893 1.00 189.59 ? 12  U   C C2    1 
ATOM   3022 O O2    . U   C 2 13  ? 17.964  2.134  55.473 1.00 188.67 ? 12  U   C O2    1 
ATOM   3023 N N3    . U   C 2 13  ? 18.895  2.977  53.583 1.00 192.91 ? 12  U   C N3    1 
ATOM   3024 C C4    . U   C 2 13  ? 19.500  3.977  52.844 1.00 191.80 ? 12  U   C C4    1 
ATOM   3025 O O4    . U   C 2 13  ? 19.805  3.759  51.669 1.00 191.74 ? 12  U   C O4    1 
ATOM   3026 C C5    . U   C 2 13  ? 19.717  5.203  53.559 1.00 188.48 ? 12  U   C C5    1 
ATOM   3027 C C6    . U   C 2 13  ? 19.337  5.317  54.838 1.00 184.86 ? 12  U   C C6    1 
ATOM   3028 P P     . G   C 2 14  ? 22.206  4.842  59.720 1.00 166.53 ? 13  G   C P     1 
ATOM   3029 O OP1   . G   C 2 14  ? 22.532  4.355  61.085 1.00 157.68 ? 13  G   C OP1   1 
ATOM   3030 O OP2   . G   C 2 14  ? 22.864  6.062  59.182 1.00 161.46 ? 13  G   C OP2   1 
ATOM   3031 O "O5'" . G   C 2 14  ? 22.493  3.633  58.726 1.00 161.11 ? 13  G   C "O5'" 1 
ATOM   3032 C "C5'" . G   C 2 14  ? 23.362  2.578  59.110 1.00 155.51 ? 13  G   C "C5'" 1 
ATOM   3033 C "C4'" . G   C 2 14  ? 22.623  1.270  59.231 1.00 155.14 ? 13  G   C "C4'" 1 
ATOM   3034 O "O4'" . G   C 2 14  ? 21.423  1.315  58.409 1.00 160.67 ? 13  G   C "O4'" 1 
ATOM   3035 C "C3'" . G   C 2 14  ? 23.386  0.050  58.731 1.00 151.88 ? 13  G   C "C3'" 1 
ATOM   3036 O "O3'" . G   C 2 14  ? 24.242  -0.508 59.713 1.00 145.47 ? 13  G   C "O3'" 1 
ATOM   3037 C "C2'" . G   C 2 14  ? 22.274  -0.883 58.273 1.00 153.36 ? 13  G   C "C2'" 1 
ATOM   3038 O "O2'" . G   C 2 14  ? 21.662  -1.515 59.387 1.00 147.51 ? 13  G   C "O2'" 1 
ATOM   3039 C "C1'" . G   C 2 14  ? 21.288  0.118  57.679 1.00 159.39 ? 13  G   C "C1'" 1 
ATOM   3040 N N9    . G   C 2 14  ? 21.635  0.445  56.286 1.00 165.75 ? 13  G   C N9    1 
ATOM   3041 C C8    . G   C 2 14  ? 22.063  1.691  55.895 1.00 167.35 ? 13  G   C C8    1 
ATOM   3042 N N7    . G   C 2 14  ? 22.331  1.771  54.629 1.00 171.25 ? 13  G   C N7    1 
ATOM   3043 C C5    . G   C 2 14  ? 22.068  0.494  54.161 1.00 174.68 ? 13  G   C C5    1 
ATOM   3044 C C6    . G   C 2 14  ? 22.187  0.002  52.848 1.00 181.54 ? 13  G   C C6    1 
ATOM   3045 O O6    . G   C 2 14  ? 22.557  0.638  51.859 1.00 182.91 ? 13  G   C O6    1 
ATOM   3046 N N1    . G   C 2 14  ? 21.832  -1.339 52.773 1.00 183.31 ? 13  G   C N1    1 
ATOM   3047 C C2    . G   C 2 14  ? 21.409  -2.119 53.822 1.00 178.90 ? 13  G   C C2    1 
ATOM   3048 N N2    . G   C 2 14  ? 21.112  -3.395 53.533 1.00 182.67 ? 13  G   C N2    1 
ATOM   3049 N N3    . G   C 2 14  ? 21.295  -1.663 55.065 1.00 170.82 ? 13  G   C N3    1 
ATOM   3050 C C4    . G   C 2 14  ? 21.638  -0.354 55.161 1.00 170.04 ? 13  G   C C4    1 
ATOM   3051 P P     . A   C 2 27  ? 31.330  8.639  56.076 1.00 142.52 ? 26  A   C P     1 
ATOM   3052 O OP1   . A   C 2 27  ? 29.959  9.139  56.345 1.00 139.39 ? 26  A   C OP1   1 
ATOM   3053 O OP2   . A   C 2 27  ? 31.611  7.182  56.196 1.00 137.30 ? 26  A   C OP2   1 
ATOM   3054 O "O5'" . A   C 2 27  ? 31.743  9.152  54.620 1.00 148.45 ? 26  A   C "O5'" 1 
ATOM   3055 C "C5'" . A   C 2 27  ? 31.625  10.526 54.257 1.00 149.44 ? 26  A   C "C5'" 1 
ATOM   3056 C "C4'" . A   C 2 27  ? 32.730  10.955 53.318 1.00 153.48 ? 26  A   C "C4'" 1 
ATOM   3057 O "O4'" . A   C 2 27  ? 33.990  10.424 53.800 1.00 154.75 ? 26  A   C "O4'" 1 
ATOM   3058 C "C3'" . A   C 2 27  ? 32.615  10.453 51.882 1.00 157.34 ? 26  A   C "C3'" 1 
ATOM   3059 O "O3'" . A   C 2 27  ? 31.854  11.335 51.072 1.00 159.19 ? 26  A   C "O3'" 1 
ATOM   3060 C "C2'" . A   C 2 27  ? 34.067  10.329 51.429 1.00 158.96 ? 26  A   C "C2'" 1 
ATOM   3061 O "O2'" . A   C 2 27  ? 34.569  11.584 50.989 1.00 158.93 ? 26  A   C "O2'" 1 
ATOM   3062 C "C1'" . A   C 2 27  ? 34.774  9.955  52.729 1.00 156.32 ? 26  A   C "C1'" 1 
ATOM   3063 N N9    . A   C 2 27  ? 34.946  8.500  52.911 1.00 155.69 ? 26  A   C N9    1 
ATOM   3064 C C8    . A   C 2 27  ? 34.362  7.748  53.901 1.00 153.12 ? 26  A   C C8    1 
ATOM   3065 N N7    . A   C 2 27  ? 34.685  6.482  53.875 1.00 155.80 ? 26  A   C N7    1 
ATOM   3066 C C5    . A   C 2 27  ? 35.554  6.394  52.798 1.00 161.31 ? 26  A   C C5    1 
ATOM   3067 C C6    . A   C 2 27  ? 36.252  5.306  52.247 1.00 164.79 ? 26  A   C C6    1 
ATOM   3068 N N6    . A   C 2 27  ? 36.166  4.063  52.732 1.00 163.36 ? 26  A   C N6    1 
ATOM   3069 N N1    . A   C 2 27  ? 37.039  5.544  51.170 1.00 166.36 ? 26  A   C N1    1 
ATOM   3070 C C2    . A   C 2 27  ? 37.116  6.795  50.691 1.00 163.48 ? 26  A   C C2    1 
ATOM   3071 N N3    . A   C 2 27  ? 36.509  7.901  51.125 1.00 161.21 ? 26  A   C N3    1 
ATOM   3072 C C4    . A   C 2 27  ? 35.734  7.630  52.194 1.00 159.49 ? 26  A   C C4    1 
ATOM   3073 P P     . C   C 2 28  ? 30.959  10.784 49.856 1.00 163.49 ? 27  C   C P     1 
ATOM   3074 O OP1   . C   C 2 28  ? 30.342  11.955 49.179 1.00 161.19 ? 27  C   C OP1   1 
ATOM   3075 O OP2   . C   C 2 28  ? 30.087  9.709  50.401 1.00 163.70 ? 27  C   C OP2   1 
ATOM   3076 O "O5'" . C   C 2 28  ? 32.013  10.142 48.843 1.00 169.05 ? 27  C   C "O5'" 1 
ATOM   3077 C "C5'" . C   C 2 28  ? 32.181  8.734  48.784 1.00 174.45 ? 27  C   C "C5'" 1 
ATOM   3078 C "C4'" . C   C 2 28  ? 33.260  8.310  47.820 1.00 179.21 ? 27  C   C "C4'" 1 
ATOM   3079 O "O4'" . C   C 2 28  ? 34.335  7.677  48.571 1.00 177.29 ? 27  C   C "O4'" 1 
ATOM   3080 C "C3'" . C   C 2 28  ? 32.815  7.260  46.806 1.00 186.38 ? 27  C   C "C3'" 1 
ATOM   3081 O "O3'" . C   C 2 28  ? 32.264  7.835  45.626 1.00 186.83 ? 27  C   C "O3'" 1 
ATOM   3082 C "C2'" . C   C 2 28  ? 34.076  6.432  46.565 1.00 185.92 ? 27  C   C "C2'" 1 
ATOM   3083 O "O2'" . C   C 2 28  ? 34.910  7.047  45.595 1.00 186.41 ? 27  C   C "O2'" 1 
ATOM   3084 C "C1'" . C   C 2 28  ? 34.763  6.495  47.932 1.00 180.92 ? 27  C   C "C1'" 1 
ATOM   3085 N N1    . C   C 2 28  ? 34.442  5.350  48.834 1.00 180.73 ? 27  C   C N1    1 
ATOM   3086 C C2    . C   C 2 28  ? 34.887  4.033  48.601 1.00 181.64 ? 27  C   C C2    1 
ATOM   3087 O O2    . C   C 2 28  ? 35.549  3.772  47.583 1.00 182.24 ? 27  C   C O2    1 
ATOM   3088 N N3    . C   C 2 28  ? 34.563  3.056  49.496 1.00 181.36 ? 27  C   C N3    1 
ATOM   3089 C C4    . C   C 2 28  ? 33.847  3.335  50.593 1.00 178.69 ? 27  C   C C4    1 
ATOM   3090 N N4    . C   C 2 28  ? 33.553  2.346  51.445 1.00 179.24 ? 27  C   C N4    1 
ATOM   3091 C C5    . C   C 2 28  ? 33.395  4.655  50.865 1.00 175.17 ? 27  C   C C5    1 
ATOM   3092 C C6    . C   C 2 28  ? 33.722  5.606  49.978 1.00 175.91 ? 27  C   C C6    1 
ATOM   3093 P P     . C   C 2 29  ? 30.789  7.429  45.122 1.00 188.61 ? 28  C   C P     1 
ATOM   3094 O OP1   . C   C 2 29  ? 30.262  8.516  44.259 1.00 178.50 ? 28  C   C OP1   1 
ATOM   3095 O OP2   . C   C 2 29  ? 29.994  7.014  46.305 1.00 188.55 ? 28  C   C OP2   1 
ATOM   3096 O "O5'" . C   C 2 29  ? 31.028  6.133  44.222 1.00 192.39 ? 28  C   C "O5'" 1 
ATOM   3097 C "C5'" . C   C 2 29  ? 32.042  6.097  43.225 1.00 192.70 ? 28  C   C "C5'" 1 
ATOM   3098 C "C4'" . C   C 2 29  ? 32.564  4.695  43.025 1.00 194.43 ? 28  C   C "C4'" 1 
ATOM   3099 O "O4'" . C   C 2 29  ? 33.321  4.289  44.196 1.00 193.20 ? 28  C   C "O4'" 1 
ATOM   3100 C "C3'" . C   C 2 29  ? 31.504  3.612  42.865 1.00 196.69 ? 28  C   C "C3'" 1 
ATOM   3101 O "O3'" . C   C 2 29  ? 31.025  3.498  41.534 1.00 198.62 ? 28  C   C "O3'" 1 
ATOM   3102 C "C2'" . C   C 2 29  ? 32.213  2.358  43.367 1.00 196.30 ? 28  C   C "C2'" 1 
ATOM   3103 O "O2'" . C   C 2 29  ? 33.058  1.821  42.360 1.00 195.81 ? 28  C   C "O2'" 1 
ATOM   3104 C "C1'" . C   C 2 29  ? 33.090  2.925  44.481 1.00 194.66 ? 28  C   C "C1'" 1 
ATOM   3105 N N1    . C   C 2 29  ? 32.472  2.832  45.827 1.00 192.90 ? 28  C   C N1    1 
ATOM   3106 C C2    . C   C 2 29  ? 32.359  1.625  46.528 1.00 193.64 ? 28  C   C C2    1 
ATOM   3107 O O2    . C   C 2 29  ? 32.755  0.569  46.009 1.00 193.75 ? 28  C   C O2    1 
ATOM   3108 N N3    . C   C 2 29  ? 31.806  1.644  47.771 1.00 193.68 ? 28  C   C N3    1 
ATOM   3109 C C4    . C   C 2 29  ? 31.370  2.782  48.329 1.00 191.64 ? 28  C   C C4    1 
ATOM   3110 N N4    . C   C 2 29  ? 30.824  2.748  49.551 1.00 189.62 ? 28  C   C N4    1 
ATOM   3111 C C5    . C   C 2 29  ? 31.485  4.017  47.642 1.00 190.70 ? 28  C   C C5    1 
ATOM   3112 C C6    . C   C 2 29  ? 32.028  3.974  46.420 1.00 191.37 ? 28  C   C C6    1 
ATOM   3113 P P     . C   C 2 30  ? 29.465  3.223  41.239 1.00 200.77 ? 29  C   C P     1 
ATOM   3114 O OP1   . C   C 2 30  ? 29.227  3.415  39.785 1.00 200.51 ? 29  C   C OP1   1 
ATOM   3115 O OP2   . C   C 2 30  ? 28.663  4.006  42.213 1.00 199.81 ? 29  C   C OP2   1 
ATOM   3116 O "O5'" . C   C 2 30  ? 29.272  1.673  41.562 1.00 201.04 ? 29  C   C "O5'" 1 
ATOM   3117 C "C5'" . C   C 2 30  ? 28.980  1.234  42.881 1.00 200.70 ? 29  C   C "C5'" 1 
ATOM   3118 C "C4'" . C   C 2 30  ? 29.296  -0.227 43.074 1.00 200.75 ? 29  C   C "C4'" 1 
ATOM   3119 O "O4'" . C   C 2 30  ? 30.131  -0.400 44.249 1.00 199.83 ? 29  C   C "O4'" 1 
ATOM   3120 C "C3'" . C   C 2 30  ? 28.088  -1.114 43.329 1.00 201.42 ? 29  C   C "C3'" 1 
ATOM   3121 O "O3'" . C   C 2 30  ? 27.457  -1.516 42.124 1.00 201.98 ? 29  C   C "O3'" 1 
ATOM   3122 C "C2'" . C   C 2 30  ? 28.667  -2.272 44.138 1.00 200.81 ? 29  C   C "C2'" 1 
ATOM   3123 O "O2'" . C   C 2 30  ? 29.267  -3.234 43.281 1.00 200.86 ? 29  C   C "O2'" 1 
ATOM   3124 C "C1'" . C   C 2 30  ? 29.772  -1.580 44.936 1.00 199.81 ? 29  C   C "C1'" 1 
ATOM   3125 N N1    . C   C 2 30  ? 29.381  -1.214 46.322 1.00 198.64 ? 29  C   C N1    1 
ATOM   3126 C C2    . C   C 2 30  ? 29.053  -2.170 47.298 1.00 198.14 ? 29  C   C C2    1 
ATOM   3127 O O2    . C   C 2 30  ? 29.036  -3.376 47.008 1.00 197.79 ? 29  C   C O2    1 
ATOM   3128 N N3    . C   C 2 30  ? 28.732  -1.755 48.551 1.00 197.48 ? 29  C   C N3    1 
ATOM   3129 C C4    . C   C 2 30  ? 28.747  -0.457 48.860 1.00 196.54 ? 29  C   C C4    1 
ATOM   3130 N N4    . C   C 2 30  ? 28.427  -0.086 50.102 1.00 195.68 ? 29  C   C N4    1 
ATOM   3131 C C5    . C   C 2 30  ? 29.083  0.527  47.896 1.00 196.26 ? 29  C   C C5    1 
ATOM   3132 C C6    . C   C 2 30  ? 29.401  0.108  46.666 1.00 197.30 ? 29  C   C C6    1 
ATOM   3133 P P     . A   C 2 31  ? 25.904  -1.190 41.863 1.00 202.58 ? 30  A   C P     1 
ATOM   3134 O OP1   . A   C 2 31  ? 25.669  -1.184 40.394 1.00 197.48 ? 30  A   C OP1   1 
ATOM   3135 O OP2   . A   C 2 31  ? 25.540  0.005  42.667 1.00 201.48 ? 30  A   C OP2   1 
ATOM   3136 O "O5'" . A   C 2 31  ? 25.154  -2.442 42.498 1.00 203.30 ? 30  A   C "O5'" 1 
ATOM   3137 C "C5'" . A   C 2 31  ? 25.836  -3.675 42.678 1.00 202.42 ? 30  A   C "C5'" 1 
ATOM   3138 C "C4'" . A   C 2 31  ? 25.327  -4.426 43.881 1.00 202.97 ? 30  A   C "C4'" 1 
ATOM   3139 O "O4'" . A   C 2 31  ? 26.212  -4.276 45.026 1.00 201.52 ? 30  A   C "O4'" 1 
ATOM   3140 C "C3'" . A   C 2 31  ? 23.989  -3.992 44.437 1.00 205.56 ? 30  A   C "C3'" 1 
ATOM   3141 O "O3'" . A   C 2 31  ? 22.883  -4.339 43.627 1.00 207.83 ? 30  A   C "O3'" 1 
ATOM   3142 C "C2'" . A   C 2 31  ? 24.001  -4.656 45.805 1.00 205.70 ? 30  A   C "C2'" 1 
ATOM   3143 O "O2'" . A   C 2 31  ? 23.775  -6.052 45.683 1.00 206.90 ? 30  A   C "O2'" 1 
ATOM   3144 C "C1'" . A   C 2 31  ? 25.457  -4.440 46.219 1.00 203.01 ? 30  A   C "C1'" 1 
ATOM   3145 N N9    . A   C 2 31  ? 25.597  -3.256 47.097 1.00 202.24 ? 30  A   C N9    1 
ATOM   3146 C C8    . A   C 2 31  ? 25.945  -1.967 46.772 1.00 201.71 ? 30  A   C C8    1 
ATOM   3147 N N7    . A   C 2 31  ? 25.957  -1.144 47.799 1.00 201.06 ? 30  A   C N7    1 
ATOM   3148 C C5    . A   C 2 31  ? 25.579  -1.931 48.879 1.00 199.24 ? 30  A   C C5    1 
ATOM   3149 C C6    . A   C 2 31  ? 25.401  -1.649 50.250 1.00 195.51 ? 30  A   C C6    1 
ATOM   3150 N N6    . A   C 2 31  ? 25.589  -0.446 50.799 1.00 192.23 ? 30  A   C N6    1 
ATOM   3151 N N1    . A   C 2 31  ? 25.015  -2.663 51.055 1.00 195.08 ? 30  A   C N1    1 
ATOM   3152 C C2    . A   C 2 31  ? 24.825  -3.871 50.511 1.00 198.16 ? 30  A   C C2    1 
ATOM   3153 N N3    . A   C 2 31  ? 24.960  -4.257 49.243 1.00 200.42 ? 30  A   C N3    1 
ATOM   3154 C C4    . A   C 2 31  ? 25.345  -3.230 48.460 1.00 200.80 ? 30  A   C C4    1 
ATOM   3155 P P     . C   C 2 32  ? 21.562  -3.425 43.670 1.00 211.06 ? 31  C   C P     1 
ATOM   3156 O OP1   . C   C 2 32  ? 20.963  -3.380 42.310 1.00 212.21 ? 31  C   C OP1   1 
ATOM   3157 O OP2   . C   C 2 32  ? 21.919  -2.155 44.358 1.00 207.90 ? 31  C   C OP2   1 
ATOM   3158 O "O5'" . C   C 2 32  ? 20.584  -4.227 44.638 1.00 213.05 ? 31  C   C "O5'" 1 
ATOM   3159 C "C5'" . C   C 2 32  ? 20.662  -5.642 44.742 1.00 213.05 ? 31  C   C "C5'" 1 
ATOM   3160 C "C4'" . C   C 2 32  ? 20.274  -6.113 46.120 1.00 213.26 ? 31  C   C "C4'" 1 
ATOM   3161 O "O4'" . C   C 2 32  ? 21.352  -5.851 47.060 1.00 211.24 ? 31  C   C "O4'" 1 
ATOM   3162 C "C3'" . C   C 2 32  ? 19.074  -5.413 46.734 1.00 214.15 ? 31  C   C "C3'" 1 
ATOM   3163 O "O3'" . C   C 2 32  ? 17.837  -5.911 46.255 1.00 216.24 ? 31  C   C "O3'" 1 
ATOM   3164 C "C2'" . C   C 2 32  ? 19.300  -5.617 48.227 1.00 213.10 ? 31  C   C "C2'" 1 
ATOM   3165 O "O2'" . C   C 2 32  ? 18.938  -6.933 48.617 1.00 214.09 ? 31  C   C "O2'" 1 
ATOM   3166 C "C1'" . C   C 2 32  ? 20.820  -5.486 48.319 1.00 211.17 ? 31  C   C "C1'" 1 
ATOM   3167 N N1    . C   C 2 32  ? 21.255  -4.099 48.624 1.00 207.51 ? 31  C   C N1    1 
ATOM   3168 C C2    . C   C 2 32  ? 21.334  -3.616 49.942 1.00 202.73 ? 31  C   C C2    1 
ATOM   3169 O O2    . C   C 2 32  ? 21.024  -4.351 50.896 1.00 201.55 ? 31  C   C O2    1 
ATOM   3170 N N3    . C   C 2 32  ? 21.751  -2.337 50.129 1.00 199.08 ? 31  C   C N3    1 
ATOM   3171 C C4    . C   C 2 32  ? 22.080  -1.559 49.093 1.00 200.18 ? 31  C   C C4    1 
ATOM   3172 N N4    . C   C 2 32  ? 22.486  -0.308 49.300 1.00 197.26 ? 31  C   C N4    1 
ATOM   3173 C C5    . C   C 2 32  ? 22.012  -2.025 47.757 1.00 203.85 ? 31  C   C C5    1 
ATOM   3174 C C6    . C   C 2 32  ? 21.598  -3.278 47.586 1.00 206.77 ? 31  C   C C6    1 
ATOM   3175 P P     . A   C 2 33  ? 16.624  -4.902 45.950 1.00 216.44 ? 32  A   C P     1 
ATOM   3176 O OP1   . A   C 2 33  ? 15.708  -5.549 44.974 1.00 217.39 ? 32  A   C OP1   1 
ATOM   3177 O OP2   . A   C 2 33  ? 17.198  -3.567 45.644 1.00 215.87 ? 32  A   C OP2   1 
ATOM   3178 O "O5'" . A   C 2 33  ? 15.874  -4.793 47.349 1.00 215.62 ? 32  A   C "O5'" 1 
ATOM   3179 C "C5'" . A   C 2 33  ? 15.722  -5.937 48.175 1.00 215.89 ? 32  A   C "C5'" 1 
ATOM   3180 C "C4'" . A   C 2 33  ? 15.626  -5.560 49.632 1.00 214.59 ? 32  A   C "C4'" 1 
ATOM   3181 O "O4'" . A   C 2 33  ? 16.942  -5.256 50.169 1.00 212.95 ? 32  A   C "O4'" 1 
ATOM   3182 C "C3'" . A   C 2 33  ? 14.813  -4.317 49.942 1.00 211.02 ? 32  A   C "C3'" 1 
ATOM   3183 O "O3'" . A   C 2 33  ? 13.414  -4.544 49.901 1.00 215.25 ? 32  A   C "O3'" 1 
ATOM   3184 C "C2'" . A   C 2 33  ? 15.348  -3.915 51.312 1.00 209.43 ? 32  A   C "C2'" 1 
ATOM   3185 O "O2'" . A   C 2 33  ? 14.804  -4.743 52.330 1.00 209.21 ? 32  A   C "O2'" 1 
ATOM   3186 C "C1'" . A   C 2 33  ? 16.834  -4.253 51.162 1.00 209.49 ? 32  A   C "C1'" 1 
ATOM   3187 N N9    . A   C 2 33  ? 17.629  -3.076 50.748 1.00 205.93 ? 32  A   C N9    1 
ATOM   3188 C C8    . A   C 2 33  ? 18.205  -2.836 49.525 1.00 206.65 ? 32  A   C C8    1 
ATOM   3189 N N7    . A   C 2 33  ? 18.853  -1.701 49.443 1.00 203.25 ? 32  A   C N7    1 
ATOM   3190 C C5    . A   C 2 33  ? 18.689  -1.141 50.700 1.00 198.86 ? 32  A   C C5    1 
ATOM   3191 C C6    . A   C 2 33  ? 19.138  0.072  51.253 1.00 193.04 ? 32  A   C C6    1 
ATOM   3192 N N6    . A   C 2 33  ? 19.870  0.966  50.583 1.00 192.72 ? 32  A   C N6    1 
ATOM   3193 N N1    . A   C 2 33  ? 18.804  0.336  52.536 1.00 192.24 ? 32  A   C N1    1 
ATOM   3194 C C2    . A   C 2 33  ? 18.068  -0.562 53.210 1.00 194.07 ? 32  A   C C2    1 
ATOM   3195 N N3    . A   C 2 33  ? 17.588  -1.737 52.798 1.00 197.90 ? 32  A   C N3    1 
ATOM   3196 C C4    . A   C 2 33  ? 17.937  -1.973 51.517 1.00 200.75 ? 32  A   C C4    1 
ATOM   3197 P P     . G   C 2 34  ? 12.464  -3.581 49.029 1.00 206.79 ? 33  G   C P     1 
ATOM   3198 O OP1   . G   C 2 34  ? 11.280  -4.365 48.587 1.00 205.77 ? 33  G   C OP1   1 
ATOM   3199 O OP2   . G   C 2 34  ? 13.303  -2.902 48.010 1.00 206.96 ? 33  G   C OP2   1 
ATOM   3200 O "O5'" . G   C 2 34  ? 11.976  -2.484 50.078 1.00 202.61 ? 33  G   C "O5'" 1 
ATOM   3201 C "C5'" . G   C 2 34  ? 11.271  -2.870 51.249 1.00 200.40 ? 33  G   C "C5'" 1 
ATOM   3202 C "C4'" . G   C 2 34  ? 11.710  -2.090 52.464 1.00 197.52 ? 33  G   C "C4'" 1 
ATOM   3203 O "O4'" . G   C 2 34  ? 13.160  -2.052 52.546 1.00 197.94 ? 33  G   C "O4'" 1 
ATOM   3204 C "C3'" . G   C 2 34  ? 11.309  -0.626 52.511 1.00 193.63 ? 33  G   C "C3'" 1 
ATOM   3205 O "O3'" . G   C 2 34  ? 9.959   -0.426 52.888 1.00 194.51 ? 33  G   C "O3'" 1 
ATOM   3206 C "C2'" . G   C 2 34  ? 12.315  -0.047 53.497 1.00 192.13 ? 33  G   C "C2'" 1 
ATOM   3207 O "O2'" . G   C 2 34  ? 11.961  -0.373 54.833 1.00 192.53 ? 33  G   C "O2'" 1 
ATOM   3208 C "C1'" . G   C 2 34  ? 13.575  -0.832 53.127 1.00 194.35 ? 33  G   C "C1'" 1 
ATOM   3209 N N9    . G   C 2 34  ? 14.400  -0.093 52.153 1.00 193.54 ? 33  G   C N9    1 
ATOM   3210 C C8    . G   C 2 34  ? 14.739  -0.465 50.872 1.00 195.89 ? 33  G   C C8    1 
ATOM   3211 N N7    . G   C 2 34  ? 15.480  0.421  50.259 1.00 193.40 ? 33  G   C N7    1 
ATOM   3212 C C5    . G   C 2 34  ? 15.637  1.440  51.192 1.00 190.38 ? 33  G   C C5    1 
ATOM   3213 C C6    . G   C 2 34  ? 16.342  2.670  51.106 1.00 186.94 ? 33  G   C C6    1 
ATOM   3214 O O6    . G   C 2 34  ? 16.992  3.118  50.152 1.00 184.63 ? 33  G   C O6    1 
ATOM   3215 N N1    . G   C 2 34  ? 16.237  3.404  52.289 1.00 185.06 ? 33  G   C N1    1 
ATOM   3216 C C2    . G   C 2 34  ? 15.549  3.010  53.414 1.00 185.30 ? 33  G   C C2    1 
ATOM   3217 N N2    . G   C 2 34  ? 15.557  3.853  54.461 1.00 181.81 ? 33  G   C N2    1 
ATOM   3218 N N3    . G   C 2 34  ? 14.892  1.866  53.502 1.00 187.75 ? 33  G   C N3    1 
ATOM   3219 C C4    . G   C 2 34  ? 14.976  1.138  52.365 1.00 190.39 ? 33  G   C C4    1 
ATOM   3220 P P     . G   C 2 35  ? 9.165   0.872  52.368 1.00 194.07 ? 34  G   C P     1 
ATOM   3221 O OP1   . G   C 2 35  ? 7.713   0.650  52.590 1.00 198.20 ? 34  G   C OP1   1 
ATOM   3222 O OP2   . G   C 2 35  ? 9.653   1.182  51.001 1.00 195.52 ? 34  G   C OP2   1 
ATOM   3223 O "O5'" . G   C 2 35  ? 9.655   2.036  53.340 1.00 189.72 ? 34  G   C "O5'" 1 
ATOM   3224 C "C5'" . G   C 2 35  ? 9.514   1.917  54.750 1.00 189.39 ? 34  G   C "C5'" 1 
ATOM   3225 C "C4'" . G   C 2 35  ? 9.998   3.153  55.467 1.00 186.31 ? 34  G   C "C4'" 1 
ATOM   3226 O "O4'" . G   C 2 35  ? 11.455  3.181  55.492 1.00 185.05 ? 34  G   C "O4'" 1 
ATOM   3227 C "C3'" . G   C 2 35  ? 9.629   4.483  54.826 1.00 181.84 ? 34  G   C "C3'" 1 
ATOM   3228 O "O3'" . G   C 2 35  ? 8.297   4.900  55.053 1.00 180.86 ? 34  G   C "O3'" 1 
ATOM   3229 C "C2'" . G   C 2 35  ? 10.689  5.410  55.391 1.00 179.62 ? 34  G   C "C2'" 1 
ATOM   3230 O "O2'" . G   C 2 35  ? 10.445  5.671  56.766 1.00 178.48 ? 34  G   C "O2'" 1 
ATOM   3231 C "C1'" . G   C 2 35  ? 11.909  4.506  55.285 1.00 181.97 ? 34  G   C "C1'" 1 
ATOM   3232 N N9    . G   C 2 35  ? 12.461  4.575  53.920 1.00 179.79 ? 34  G   C N9    1 
ATOM   3233 C C8    . G   C 2 35  ? 12.454  3.562  52.992 1.00 182.04 ? 34  G   C C8    1 
ATOM   3234 N N7    . G   C 2 35  ? 12.990  3.904  51.853 1.00 181.16 ? 34  G   C N7    1 
ATOM   3235 C C5    . G   C 2 35  ? 13.358  5.232  52.030 1.00 176.82 ? 34  G   C C5    1 
ATOM   3236 C C6    . G   C 2 35  ? 13.987  6.137  51.129 1.00 173.61 ? 34  G   C C6    1 
ATOM   3237 O O6    . G   C 2 35  ? 14.349  5.931  49.962 1.00 172.42 ? 34  G   C O6    1 
ATOM   3238 N N1    . G   C 2 35  ? 14.180  7.391  51.710 1.00 171.04 ? 34  G   C N1    1 
ATOM   3239 C C2    . G   C 2 35  ? 13.808  7.731  52.994 1.00 170.45 ? 34  G   C C2    1 
ATOM   3240 N N2    . G   C 2 35  ? 14.075  8.988  53.390 1.00 167.16 ? 34  G   C N2    1 
ATOM   3241 N N3    . G   C 2 35  ? 13.228  6.892  53.843 1.00 172.66 ? 34  G   C N3    1 
ATOM   3242 C C4    . G   C 2 35  ? 13.031  5.667  53.300 1.00 176.33 ? 34  G   C C4    1 
ATOM   3243 P P     . G   C 2 36  ? 7.460   5.520  53.829 1.00 176.79 ? 35  G   C P     1 
ATOM   3244 O OP1   . G   C 2 36  ? 6.055   5.725  54.265 1.00 174.13 ? 35  G   C OP1   1 
ATOM   3245 O OP2   . G   C 2 36  ? 7.745   4.684  52.634 1.00 178.90 ? 35  G   C OP2   1 
ATOM   3246 O "O5'" . G   C 2 36  ? 8.119   6.954  53.603 1.00 170.73 ? 35  G   C "O5'" 1 
ATOM   3247 C "C5'" . G   C 2 36  ? 8.105   7.929  54.636 1.00 166.50 ? 35  G   C "C5'" 1 
ATOM   3248 C "C4'" . G   C 2 36  ? 8.825   9.197  54.241 1.00 163.82 ? 35  G   C "C4'" 1 
ATOM   3249 O "O4'" . G   C 2 36  ? 10.161  8.893  53.767 1.00 165.38 ? 35  G   C "O4'" 1 
ATOM   3250 C "C3'" . G   C 2 36  ? 8.220   10.014 53.107 1.00 159.58 ? 35  G   C "C3'" 1 
ATOM   3251 O "O3'" . G   C 2 36  ? 7.111   10.800 53.509 1.00 156.46 ? 35  G   C "O3'" 1 
ATOM   3252 C "C2'" . G   C 2 36  ? 9.404   10.851 52.635 1.00 158.05 ? 35  G   C "C2'" 1 
ATOM   3253 O "O2'" . G   C 2 36  ? 9.605   11.969 53.491 1.00 154.19 ? 35  G   C "O2'" 1 
ATOM   3254 C "C1'" . G   C 2 36  ? 10.569  9.879  52.836 1.00 161.78 ? 35  G   C "C1'" 1 
ATOM   3255 N N9    . G   C 2 36  ? 11.021  9.245  51.579 1.00 163.15 ? 35  G   C N9    1 
ATOM   3256 C C8    . G   C 2 36  ? 10.916  7.933  51.170 1.00 165.50 ? 35  G   C C8    1 
ATOM   3257 N N7    . G   C 2 36  ? 11.456  7.717  49.996 1.00 164.57 ? 35  G   C N7    1 
ATOM   3258 C C5    . G   C 2 36  ? 11.953  8.956  49.607 1.00 163.17 ? 35  G   C C5    1 
ATOM   3259 C C6    . G   C 2 36  ? 12.644  9.359  48.431 1.00 162.44 ? 35  G   C C6    1 
ATOM   3260 O O6    . G   C 2 36  ? 12.968  8.668  47.460 1.00 162.00 ? 35  G   C O6    1 
ATOM   3261 N N1    . G   C 2 36  ? 12.963  10.721 48.449 1.00 162.35 ? 35  G   C N1    1 
ATOM   3262 C C2    . G   C 2 36  ? 12.652  11.583 49.477 1.00 161.35 ? 35  G   C C2    1 
ATOM   3263 N N2    . G   C 2 36  ? 13.027  12.868 49.348 1.00 161.14 ? 35  G   C N2    1 
ATOM   3264 N N3    . G   C 2 36  ? 12.011  11.216 50.575 1.00 159.60 ? 35  G   C N3    1 
ATOM   3265 C C4    . G   C 2 36  ? 11.693  9.903  50.574 1.00 161.87 ? 35  G   C C4    1 
ATOM   3266 P P     . C   C 2 37  ? 5.972   11.203 52.446 1.00 154.36 ? 36  C   C P     1 
ATOM   3267 O OP1   . C   C 2 37  ? 4.891   11.881 53.207 1.00 153.73 ? 36  C   C OP1   1 
ATOM   3268 O OP2   . C   C 2 37  ? 5.674   10.013 51.605 1.00 152.13 ? 36  C   C OP2   1 
ATOM   3269 O "O5'" . C   C 2 37  ? 6.654   12.303 51.513 1.00 150.20 ? 36  C   C "O5'" 1 
ATOM   3270 C "C5'" . C   C 2 37  ? 6.546   13.688 51.814 1.00 147.15 ? 36  C   C "C5'" 1 
ATOM   3271 C "C4'" . C   C 2 37  ? 7.424   14.527 50.913 1.00 145.09 ? 36  C   C "C4'" 1 
ATOM   3272 O "O4'" . C   C 2 37  ? 8.649   13.809 50.617 1.00 148.95 ? 36  C   C "O4'" 1 
ATOM   3273 C "C3'" . C   C 2 37  ? 6.853   14.881 49.545 1.00 140.59 ? 36  C   C "C3'" 1 
ATOM   3274 O "O3'" . C   C 2 37  ? 5.987   16.009 49.599 1.00 137.18 ? 36  C   C "O3'" 1 
ATOM   3275 C "C2'" . C   C 2 37  ? 8.105   15.124 48.704 1.00 139.99 ? 36  C   C "C2'" 1 
ATOM   3276 O "O2'" . C   C 2 37  ? 8.590   16.445 48.897 1.00 136.27 ? 36  C   C "O2'" 1 
ATOM   3277 C "C1'" . C   C 2 37  ? 9.111   14.148 49.327 1.00 145.92 ? 36  C   C "C1'" 1 
ATOM   3278 N N1    . C   C 2 37  ? 9.317   12.907 48.533 1.00 149.43 ? 36  C   C N1    1 
ATOM   3279 C C2    . C   C 2 37  ? 10.002  12.965 47.309 1.00 149.07 ? 36  C   C C2    1 
ATOM   3280 O O2    . C   C 2 37  ? 10.397  14.068 46.903 1.00 148.02 ? 36  C   C O2    1 
ATOM   3281 N N3    . C   C 2 37  ? 10.202  11.827 46.598 1.00 150.64 ? 36  C   C N3    1 
ATOM   3282 C C4    . C   C 2 37  ? 9.763   10.656 47.063 1.00 151.73 ? 36  C   C C4    1 
ATOM   3283 N N4    . C   C 2 37  ? 9.978   9.555  46.337 1.00 152.64 ? 36  C   C N4    1 
ATOM   3284 C C5    . C   C 2 37  ? 9.078   10.562 48.308 1.00 153.17 ? 36  C   C C5    1 
ATOM   3285 C C6    . C   C 2 37  ? 8.887   11.694 49.001 1.00 152.38 ? 36  C   C C6    1 
ATOM   3286 P P     . C   C 2 38  ? 4.774   16.196 48.551 1.00 133.29 ? 37  C   C P     1 
ATOM   3287 O OP1   . C   C 2 38  ? 4.171   17.529 48.807 1.00 128.94 ? 37  C   C OP1   1 
ATOM   3288 O OP2   . C   C 2 38  ? 3.930   14.977 48.537 1.00 135.18 ? 37  C   C OP2   1 
ATOM   3289 O "O5'" . C   C 2 38  ? 5.484   16.295 47.136 1.00 131.07 ? 37  C   C "O5'" 1 
ATOM   3290 C "C5'" . C   C 2 38  ? 6.232   17.447 46.790 1.00 131.18 ? 37  C   C "C5'" 1 
ATOM   3291 C "C4'" . C   C 2 38  ? 6.866   17.316 45.428 1.00 130.29 ? 37  C   C "C4'" 1 
ATOM   3292 O "O4'" . C   C 2 38  ? 7.801   16.209 45.406 1.00 134.32 ? 37  C   C "O4'" 1 
ATOM   3293 C "C3'" . C   C 2 38  ? 5.928   17.026 44.266 1.00 128.22 ? 37  C   C "C3'" 1 
ATOM   3294 O "O3'" . C   C 2 38  ? 5.235   18.192 43.831 1.00 125.53 ? 37  C   C "O3'" 1 
ATOM   3295 C "C2'" . C   C 2 38  ? 6.871   16.433 43.218 1.00 128.27 ? 37  C   C "C2'" 1 
ATOM   3296 O "O2'" . C   C 2 38  ? 7.539   17.469 42.516 1.00 124.02 ? 37  C   C "O2'" 1 
ATOM   3297 C "C1'" . C   C 2 38  ? 7.908   15.705 44.090 1.00 134.12 ? 37  C   C "C1'" 1 
ATOM   3298 N N1    . C   C 2 38  ? 7.774   14.222 44.097 1.00 139.16 ? 37  C   C N1    1 
ATOM   3299 C C2    . C   C 2 38  ? 8.324   13.472 43.034 1.00 143.14 ? 37  C   C C2    1 
ATOM   3300 O O2    . C   C 2 38  ? 8.889   14.071 42.104 1.00 140.66 ? 37  C   C O2    1 
ATOM   3301 N N3    . C   C 2 38  ? 8.220   12.114 43.044 1.00 146.16 ? 37  C   C N3    1 
ATOM   3302 C C4    . C   C 2 38  ? 7.611   11.497 44.061 1.00 147.39 ? 37  C   C C4    1 
ATOM   3303 N N4    . C   C 2 38  ? 7.525   10.160 44.038 1.00 148.87 ? 37  C   C N4    1 
ATOM   3304 C C5    . C   C 2 38  ? 7.055   12.229 45.156 1.00 142.57 ? 37  C   C C5    1 
ATOM   3305 C C6    . C   C 2 38  ? 7.163   13.568 45.137 1.00 139.79 ? 37  C   C C6    1 
ATOM   3306 P P     . C   C 2 39  ? 3.953   18.101 42.854 1.00 124.00 ? 38  C   C P     1 
ATOM   3307 O OP1   . C   C 2 39  ? 3.259   19.412 42.827 1.00 115.78 ? 38  C   C OP1   1 
ATOM   3308 O OP2   . C   C 2 39  ? 3.190   16.850 43.108 1.00 123.49 ? 38  C   C OP2   1 
ATOM   3309 O "O5'" . C   C 2 39  ? 4.602   17.946 41.422 1.00 125.15 ? 38  C   C "O5'" 1 
ATOM   3310 C "C5'" . C   C 2 39  ? 4.109   16.984 40.511 1.00 126.54 ? 38  C   C "C5'" 1 
ATOM   3311 C "C4'" . C   C 2 39  ? 5.194   16.535 39.573 1.00 127.01 ? 38  C   C "C4'" 1 
ATOM   3312 O "O4'" . C   C 2 39  ? 6.002   15.507 40.207 1.00 133.66 ? 38  C   C "O4'" 1 
ATOM   3313 C "C3'" . C   C 2 39  ? 4.716   15.887 38.289 1.00 127.37 ? 38  C   C "C3'" 1 
ATOM   3314 O "O3'" . C   C 2 39  ? 4.309   16.839 37.320 1.00 127.66 ? 38  C   C "O3'" 1 
ATOM   3315 C "C2'" . C   C 2 39  ? 5.920   15.053 37.876 1.00 129.32 ? 38  C   C "C2'" 1 
ATOM   3316 O "O2'" . C   C 2 39  ? 6.913   15.883 37.292 1.00 123.78 ? 38  C   C "O2'" 1 
ATOM   3317 C "C1'" . C   C 2 39  ? 6.438   14.575 39.239 1.00 135.87 ? 38  C   C "C1'" 1 
ATOM   3318 N N1    . C   C 2 39  ? 5.967   13.215 39.629 1.00 142.01 ? 38  C   C N1    1 
ATOM   3319 C C2    . C   C 2 39  ? 6.256   12.087 38.840 1.00 150.89 ? 38  C   C C2    1 
ATOM   3320 O O2    . C   C 2 39  ? 6.887   12.225 37.785 1.00 151.40 ? 38  C   C O2    1 
ATOM   3321 N N3    . C   C 2 39  ? 5.834   10.855 39.226 1.00 158.08 ? 38  C   C N3    1 
ATOM   3322 C C4    . C   C 2 39  ? 5.150   10.705 40.363 1.00 155.65 ? 38  C   C C4    1 
ATOM   3323 N N4    . C   C 2 39  ? 4.759   9.469  40.700 1.00 160.59 ? 38  C   C N4    1 
ATOM   3324 C C5    . C   C 2 39  ? 4.852   11.821 41.199 1.00 143.26 ? 38  C   C C5    1 
ATOM   3325 C C6    . C   C 2 39  ? 5.279   13.032 40.803 1.00 140.00 ? 38  C   C C6    1 
ATOM   3326 P P     . A   C 2 40  ? 2.767   16.929 36.857 1.00 127.17 ? 39  A   C P     1 
ATOM   3327 O OP1   . A   C 2 40  ? 2.354   18.357 36.884 1.00 120.84 ? 39  A   C OP1   1 
ATOM   3328 O OP2   . A   C 2 40  ? 1.982   15.932 37.631 1.00 125.69 ? 39  A   C OP2   1 
ATOM   3329 O "O5'" . A   C 2 40  ? 2.801   16.467 35.333 1.00 123.98 ? 39  A   C "O5'" 1 
ATOM   3330 C "C5'" . A   C 2 40  ? 2.133   15.287 34.896 1.00 127.51 ? 39  A   C "C5'" 1 
ATOM   3331 C "C4'" . A   C 2 40  ? 2.626   14.876 33.535 1.00 131.32 ? 39  A   C "C4'" 1 
ATOM   3332 O "O4'" . A   C 2 40  ? 3.060   16.076 32.842 1.00 127.88 ? 39  A   C "O4'" 1 
ATOM   3333 C "C3'" . A   C 2 40  ? 3.834   13.947 33.557 1.00 136.86 ? 39  A   C "C3'" 1 
ATOM   3334 O "O3'" . A   C 2 40  ? 3.851   13.148 32.369 1.00 144.82 ? 39  A   C "O3'" 1 
ATOM   3335 C "C2'" . A   C 2 40  ? 5.000   14.929 33.529 1.00 132.39 ? 39  A   C "C2'" 1 
ATOM   3336 O "O2'" . A   C 2 40  ? 6.212   14.387 33.045 1.00 134.03 ? 39  A   C "O2'" 1 
ATOM   3337 C "C1'" . A   C 2 40  ? 4.457   16.019 32.605 1.00 129.10 ? 39  A   C "C1'" 1 
ATOM   3338 N N9    . A   C 2 40  ? 5.010   17.354 32.860 1.00 124.55 ? 39  A   C N9    1 
ATOM   3339 C C8    . A   C 2 40  ? 5.126   17.987 34.073 1.00 120.98 ? 39  A   C C8    1 
ATOM   3340 N N7    . A   C 2 40  ? 5.649   19.185 33.995 1.00 117.51 ? 39  A   C N7    1 
ATOM   3341 C C5    . A   C 2 40  ? 5.894   19.359 32.640 1.00 120.33 ? 39  A   C C5    1 
ATOM   3342 C C6    . A   C 2 40  ? 6.443   20.429 31.905 1.00 121.49 ? 39  A   C C6    1 
ATOM   3343 N N6    . A   C 2 40  ? 6.858   21.561 32.482 1.00 119.79 ? 39  A   C N6    1 
ATOM   3344 N N1    . A   C 2 40  ? 6.553   20.297 30.558 1.00 124.77 ? 39  A   C N1    1 
ATOM   3345 C C2    . A   C 2 40  ? 6.136   19.156 29.993 1.00 126.75 ? 39  A   C C2    1 
ATOM   3346 N N3    . A   C 2 40  ? 5.605   18.081 30.580 1.00 125.98 ? 39  A   C N3    1 
ATOM   3347 C C4    . A   C 2 40  ? 5.505   18.242 31.921 1.00 122.97 ? 39  A   C C4    1 
ATOM   3348 P P     . U   C 2 41  ? 3.127   11.709 32.314 1.00 154.44 ? 40  U   C P     1 
ATOM   3349 O OP1   . U   C 2 41  ? 3.153   11.261 30.893 1.00 149.63 ? 40  U   C OP1   1 
ATOM   3350 O OP2   . U   C 2 41  ? 1.838   11.801 33.049 1.00 150.47 ? 40  U   C OP2   1 
ATOM   3351 O "O5'" . U   C 2 41  ? 4.087   10.744 33.147 1.00 161.20 ? 40  U   C "O5'" 1 
ATOM   3352 C "C5'" . U   C 2 41  ? 3.997   10.669 34.563 1.00 162.80 ? 40  U   C "C5'" 1 
ATOM   3353 C "C4'" . U   C 2 41  ? 4.469   9.338  35.083 1.00 175.70 ? 40  U   C "C4'" 1 
ATOM   3354 O "O4'" . U   C 2 41  ? 4.448   9.366  36.535 1.00 176.36 ? 40  U   C "O4'" 1 
ATOM   3355 C "C3'" . U   C 2 41  ? 3.603   8.139  34.720 1.00 184.04 ? 40  U   C "C3'" 1 
ATOM   3356 O "O3'" . U   C 2 41  ? 3.815   7.678  33.380 1.00 190.47 ? 40  U   C "O3'" 1 
ATOM   3357 C "C2'" . U   C 2 41  ? 3.901   7.161  35.854 1.00 189.17 ? 40  U   C "C2'" 1 
ATOM   3358 O "O2'" . U   C 2 41  ? 5.155   6.527  35.672 1.00 195.53 ? 40  U   C "O2'" 1 
ATOM   3359 C "C1'" . U   C 2 41  ? 4.035   8.114  37.039 1.00 181.28 ? 40  U   C "C1'" 1 
ATOM   3360 N N1    . U   C 2 41  ? 2.758   8.302  37.764 1.00 176.86 ? 40  U   C N1    1 
ATOM   3361 C C2    . U   C 2 41  ? 2.363   7.331  38.667 1.00 178.26 ? 40  U   C C2    1 
ATOM   3362 O O2    . U   C 2 41  ? 3.010   6.320  38.888 1.00 185.88 ? 40  U   C O2    1 
ATOM   3363 N N3    . U   C 2 41  ? 1.172   7.589  39.303 1.00 174.78 ? 40  U   C N3    1 
ATOM   3364 C C4    . U   C 2 41  ? 0.357   8.693  39.136 1.00 171.88 ? 40  U   C C4    1 
ATOM   3365 O O4    . U   C 2 41  ? -0.687  8.781  39.782 1.00 168.44 ? 40  U   C O4    1 
ATOM   3366 C C5    . U   C 2 41  ? 0.839   9.650  38.190 1.00 172.43 ? 40  U   C C5    1 
ATOM   3367 C C6    . U   C 2 41  ? 1.994   9.428  37.557 1.00 173.77 ? 40  U   C C6    1 
ATOM   3368 P P     . U   C 2 42  ? 4.248   6.170  32.988 1.00 207.70 ? 41  U   C P     1 
ATOM   3369 O OP1   . U   C 2 42  ? 5.654   5.984  33.431 1.00 204.55 ? 41  U   C OP1   1 
ATOM   3370 O OP2   . U   C 2 42  ? 3.948   5.990  31.544 1.00 207.84 ? 41  U   C OP2   1 
ATOM   3371 O "O5'" . U   C 2 42  ? 3.260   5.218  33.810 1.00 211.59 ? 41  U   C "O5'" 1 
ATOM   3372 C "C5'" . U   C 2 42  ? 3.432   3.801  33.835 1.00 216.69 ? 41  U   C "C5'" 1 
ATOM   3373 C "C4'" . U   C 2 42  ? 4.573   3.376  34.734 1.00 217.10 ? 41  U   C "C4'" 1 
ATOM   3374 O "O4'" . U   C 2 42  ? 4.193   3.529  36.135 1.00 216.86 ? 41  U   C "O4'" 1 
ATOM   3375 C "C3'" . U   C 2 42  ? 5.033   1.924  34.569 1.00 220.84 ? 41  U   C "C3'" 1 
ATOM   3376 O "O3'" . U   C 2 42  ? 6.457   1.856  34.658 1.00 218.94 ? 41  U   C "O3'" 1 
ATOM   3377 C "C2'" . U   C 2 42  ? 4.402   1.226  35.774 1.00 224.68 ? 41  U   C "C2'" 1 
ATOM   3378 O "O2'" . U   C 2 42  ? 5.072   0.059  36.202 1.00 226.80 ? 41  U   C "O2'" 1 
ATOM   3379 C "C1'" . U   C 2 42  ? 4.457   2.325  36.828 1.00 223.31 ? 41  U   C "C1'" 1 
ATOM   3380 N N1    . U   C 2 42  ? 3.480   2.166  37.917 1.00 229.12 ? 41  U   C N1    1 
ATOM   3381 C C2    . U   C 2 42  ? 3.933   1.592  39.092 1.00 231.78 ? 41  U   C C2    1 
ATOM   3382 O O2    . U   C 2 42  ? 5.085   1.225  39.250 1.00 230.87 ? 41  U   C O2    1 
ATOM   3383 N N3    . U   C 2 42  ? 2.986   1.459  40.078 1.00 237.36 ? 41  U   C N3    1 
ATOM   3384 C C4    . U   C 2 42  ? 1.659   1.834  40.013 1.00 238.22 ? 41  U   C C4    1 
ATOM   3385 O O4    . U   C 2 42  ? 0.927   1.650  40.987 1.00 242.92 ? 41  U   C O4    1 
ATOM   3386 C C5    . U   C 2 42  ? 1.269   2.420  38.767 1.00 235.63 ? 41  U   C C5    1 
ATOM   3387 C C6    . U   C 2 42  ? 2.169   2.562  37.787 1.00 230.27 ? 41  U   C C6    1 
ATOM   3388 P P     . G   C 2 43  ? 7.268   0.822  33.730 1.00 220.17 ? 42  G   C P     1 
ATOM   3389 O OP1   . G   C 2 43  ? 6.369   0.407  32.623 1.00 221.18 ? 42  G   C OP1   1 
ATOM   3390 O OP2   . G   C 2 43  ? 7.875   -0.201 34.620 1.00 221.32 ? 42  G   C OP2   1 
ATOM   3391 O "O5'" . G   C 2 43  ? 8.446   1.688  33.092 1.00 214.70 ? 42  G   C "O5'" 1 
ATOM   3392 C "C5'" . G   C 2 43  ? 9.516   2.175  33.888 1.00 208.58 ? 42  G   C "C5'" 1 
ATOM   3393 C "C4'" . G   C 2 43  ? 9.772   3.635  33.617 1.00 203.28 ? 42  G   C "C4'" 1 
ATOM   3394 O "O4'" . G   C 2 43  ? 8.525   4.369  33.742 1.00 204.53 ? 42  G   C "O4'" 1 
ATOM   3395 C "C3'" . G   C 2 43  ? 10.707  4.345  34.584 1.00 197.07 ? 42  G   C "C3'" 1 
ATOM   3396 O "O3'" . G   C 2 43  ? 12.082  4.127  34.328 1.00 194.22 ? 42  G   C "O3'" 1 
ATOM   3397 C "C2'" . G   C 2 43  ? 10.278  5.795  34.438 1.00 194.77 ? 42  G   C "C2'" 1 
ATOM   3398 O "O2'" . G   C 2 43  ? 10.755  6.334  33.214 1.00 193.40 ? 42  G   C "O2'" 1 
ATOM   3399 C "C1'" . G   C 2 43  ? 8.768   5.630  34.327 1.00 199.23 ? 42  G   C "C1'" 1 
ATOM   3400 N N9    . G   C 2 43  ? 8.122   5.664  35.653 1.00 198.36 ? 42  G   C N9    1 
ATOM   3401 C C8    . G   C 2 43  ? 7.580   4.627  36.377 1.00 202.21 ? 42  G   C C8    1 
ATOM   3402 N N7    . G   C 2 43  ? 7.081   5.007  37.527 1.00 201.50 ? 42  G   C N7    1 
ATOM   3403 C C5    . G   C 2 43  ? 7.314   6.377  37.570 1.00 192.57 ? 42  G   C C5    1 
ATOM   3404 C C6    . G   C 2 43  ? 7.005   7.353  38.559 1.00 187.22 ? 42  G   C C6    1 
ATOM   3405 O O6    . G   C 2 43  ? 6.432   7.228  39.649 1.00 186.10 ? 42  G   C O6    1 
ATOM   3406 N N1    . G   C 2 43  ? 7.419   8.624  38.168 1.00 186.92 ? 42  G   C N1    1 
ATOM   3407 C C2    . G   C 2 43  ? 8.060   8.911  36.987 1.00 188.48 ? 42  G   C C2    1 
ATOM   3408 N N2    . G   C 2 43  ? 8.391   10.193 36.791 1.00 187.05 ? 42  G   C N2    1 
ATOM   3409 N N3    . G   C 2 43  ? 8.354   8.022  36.059 1.00 190.94 ? 42  G   C N3    1 
ATOM   3410 C C4    . G   C 2 43  ? 7.956   6.788  36.418 1.00 192.88 ? 42  G   C C4    1 
ATOM   3411 P P     . G   C 2 44  ? 13.104  4.004  35.563 1.00 188.86 ? 43  G   C P     1 
ATOM   3412 O OP1   . G   C 2 44  ? 14.429  3.593  35.031 1.00 186.05 ? 43  G   C OP1   1 
ATOM   3413 O OP2   . G   C 2 44  ? 12.433  3.182  36.605 1.00 188.07 ? 43  G   C OP2   1 
ATOM   3414 O "O5'" . G   C 2 44  ? 13.229  5.493  36.126 1.00 181.67 ? 43  G   C "O5'" 1 
ATOM   3415 C "C5'" . G   C 2 44  ? 14.185  6.405  35.600 1.00 176.56 ? 43  G   C "C5'" 1 
ATOM   3416 C "C4'" . G   C 2 44  ? 13.674  7.826  35.639 1.00 174.36 ? 43  G   C "C4'" 1 
ATOM   3417 O "O4'" . G   C 2 44  ? 12.249  7.822  35.914 1.00 178.38 ? 43  G   C "O4'" 1 
ATOM   3418 C "C3'" . G   C 2 44  ? 14.255  8.730  36.719 1.00 169.96 ? 43  G   C "C3'" 1 
ATOM   3419 O "O3'" . G   C 2 44  ? 15.526  9.269  36.378 1.00 167.66 ? 43  G   C "O3'" 1 
ATOM   3420 C "C2'" . G   C 2 44  ? 13.169  9.791  36.887 1.00 168.20 ? 43  G   C "C2'" 1 
ATOM   3421 O "O2'" . G   C 2 44  ? 13.259  10.774 35.865 1.00 163.24 ? 43  G   C "O2'" 1 
ATOM   3422 C "C1'" . G   C 2 44  ? 11.896  8.972  36.656 1.00 174.06 ? 43  G   C "C1'" 1 
ATOM   3423 N N9    . G   C 2 44  ? 11.237  8.561  37.915 1.00 173.70 ? 43  G   C N9    1 
ATOM   3424 C C8    . G   C 2 44  ? 11.012  7.285  38.378 1.00 176.71 ? 43  G   C C8    1 
ATOM   3425 N N7    . G   C 2 44  ? 10.390  7.254  39.527 1.00 174.98 ? 43  G   C N7    1 
ATOM   3426 C C5    . G   C 2 44  ? 10.181  8.592  39.844 1.00 170.82 ? 43  G   C C5    1 
ATOM   3427 C C6    . G   C 2 44  ? 9.552   9.197  40.973 1.00 165.86 ? 43  G   C C6    1 
ATOM   3428 O O6    . G   C 2 44  ? 9.033   8.650  41.959 1.00 162.59 ? 43  G   C O6    1 
ATOM   3429 N N1    . G   C 2 44  ? 9.562   10.592 40.884 1.00 162.02 ? 43  G   C N1    1 
ATOM   3430 C C2    . G   C 2 44  ? 10.107  11.311 39.842 1.00 160.35 ? 43  G   C C2    1 
ATOM   3431 N N2    . G   C 2 44  ? 10.033  12.651 39.911 1.00 155.00 ? 43  G   C N2    1 
ATOM   3432 N N3    . G   C 2 44  ? 10.691  10.756 38.793 1.00 164.04 ? 43  G   C N3    1 
ATOM   3433 C C4    . G   C 2 44  ? 10.695  9.407  38.856 1.00 169.44 ? 43  G   C C4    1 
ATOM   3434 P P     . G   C 2 45  ? 16.683  9.427  37.491 1.00 169.53 ? 44  G   C P     1 
ATOM   3435 O OP1   . G   C 2 45  ? 17.982  9.575  36.780 1.00 163.81 ? 44  G   C OP1   1 
ATOM   3436 O OP2   . G   C 2 45  ? 16.515  8.349  38.501 1.00 168.19 ? 44  G   C OP2   1 
ATOM   3437 O "O5'" . G   C 2 45  ? 16.354  10.803 38.229 1.00 161.37 ? 44  G   C "O5'" 1 
ATOM   3438 C "C5'" . G   C 2 45  ? 16.622  12.053 37.609 1.00 159.03 ? 44  G   C "C5'" 1 
ATOM   3439 C "C4'" . G   C 2 45  ? 16.000  13.193 38.377 1.00 155.92 ? 44  G   C "C4'" 1 
ATOM   3440 O "O4'" . G   C 2 45  ? 14.595  12.918 38.597 1.00 155.82 ? 44  G   C "O4'" 1 
ATOM   3441 C "C3'" . G   C 2 45  ? 16.561  13.442 39.768 1.00 157.20 ? 44  G   C "C3'" 1 
ATOM   3442 O "O3'" . G   C 2 45  ? 17.733  14.244 39.731 1.00 156.55 ? 44  G   C "O3'" 1 
ATOM   3443 C "C2'" . G   C 2 45  ? 15.394  14.105 40.500 1.00 157.18 ? 44  G   C "C2'" 1 
ATOM   3444 O "O2'" . G   C 2 45  ? 15.343  15.496 40.217 1.00 153.84 ? 44  G   C "O2'" 1 
ATOM   3445 C "C1'" . G   C 2 45  ? 14.185  13.441 39.841 1.00 156.00 ? 44  G   C "C1'" 1 
ATOM   3446 N N9    . G   C 2 45  ? 13.578  12.355 40.642 1.00 158.64 ? 44  G   C N9    1 
ATOM   3447 C C8    . G   C 2 45  ? 13.466  11.040 40.255 1.00 161.28 ? 44  G   C C8    1 
ATOM   3448 N N7    . G   C 2 45  ? 12.860  10.285 41.129 1.00 161.32 ? 44  G   C N7    1 
ATOM   3449 C C5    . G   C 2 45  ? 12.534  11.153 42.161 1.00 157.76 ? 44  G   C C5    1 
ATOM   3450 C C6    . G   C 2 45  ? 11.860  10.897 43.384 1.00 156.79 ? 44  G   C C6    1 
ATOM   3451 O O6    . G   C 2 45  ? 11.411  9.820  43.804 1.00 156.80 ? 44  G   C O6    1 
ATOM   3452 N N1    . G   C 2 45  ? 11.735  12.056 44.143 1.00 155.45 ? 44  G   C N1    1 
ATOM   3453 C C2    . G   C 2 45  ? 12.194  13.299 43.776 1.00 154.15 ? 44  G   C C2    1 
ATOM   3454 N N2    . G   C 2 45  ? 11.987  14.304 44.638 1.00 152.07 ? 44  G   C N2    1 
ATOM   3455 N N3    . G   C 2 45  ? 12.822  13.545 42.636 1.00 155.34 ? 44  G   C N3    1 
ATOM   3456 C C4    . G   C 2 45  ? 12.959  12.437 41.876 1.00 157.06 ? 44  G   C C4    1 
ATOM   3457 P P     . C   C 2 46  ? 18.915  14.043 40.803 1.00 158.42 ? 45  C   C P     1 
ATOM   3458 O OP1   . C   C 2 46  ? 20.076  14.852 40.345 1.00 158.94 ? 45  C   C OP1   1 
ATOM   3459 O OP2   . C   C 2 46  ? 19.096  12.585 41.022 1.00 160.48 ? 45  C   C OP2   1 
ATOM   3460 O "O5'" . C   C 2 46  ? 18.341  14.701 42.140 1.00 157.78 ? 45  C   C "O5'" 1 
ATOM   3461 C "C5'" . C   C 2 46  ? 17.786  16.012 42.120 1.00 155.19 ? 45  C   C "C5'" 1 
ATOM   3462 C "C4'" . C   C 2 46  ? 17.154  16.401 43.436 1.00 153.73 ? 45  C   C "C4'" 1 
ATOM   3463 O "O4'" . C   C 2 46  ? 16.033  15.522 43.743 1.00 157.77 ? 45  C   C "O4'" 1 
ATOM   3464 C "C3'" . C   C 2 46  ? 18.085  16.372 44.645 1.00 152.20 ? 45  C   C "C3'" 1 
ATOM   3465 O "O3'" . C   C 2 46  ? 17.937  17.571 45.400 1.00 146.86 ? 45  C   C "O3'" 1 
ATOM   3466 C "C2'" . C   C 2 46  ? 17.607  15.158 45.452 1.00 157.39 ? 45  C   C "C2'" 1 
ATOM   3467 O "O2'" . C   C 2 46  ? 17.764  15.291 46.848 1.00 157.88 ? 45  C   C "O2'" 1 
ATOM   3468 C "C1'" . C   C 2 46  ? 16.130  15.056 45.076 1.00 159.10 ? 45  C   C "C1'" 1 
ATOM   3469 N N1    . C   C 2 46  ? 15.612  13.670 45.127 1.00 160.65 ? 45  C   C N1    1 
ATOM   3470 C C2    . C   C 2 46  ? 14.778  13.184 46.159 1.00 160.12 ? 45  C   C C2    1 
ATOM   3471 O O2    . C   C 2 46  ? 14.428  13.932 47.082 1.00 160.03 ? 45  C   C O2    1 
ATOM   3472 N N3    . C   C 2 46  ? 14.361  11.884 46.120 1.00 160.68 ? 45  C   C N3    1 
ATOM   3473 C C4    . C   C 2 46  ? 14.736  11.073 45.129 1.00 161.08 ? 45  C   C C4    1 
ATOM   3474 N N4    . C   C 2 46  ? 14.315  9.802  45.107 1.00 162.17 ? 45  C   C N4    1 
ATOM   3475 C C5    . C   C 2 46  ? 15.577  11.537 44.083 1.00 160.04 ? 45  C   C C5    1 
ATOM   3476 C C6    . C   C 2 46  ? 15.983  12.812 44.127 1.00 160.25 ? 45  C   C C6    1 
ATOM   3477 P P     . G   C 2 47  ? 19.230  18.483 45.689 1.00 138.86 ? 46  G   C P     1 
ATOM   3478 O OP1   . G   C 2 47  ? 18.785  19.884 45.913 1.00 128.29 ? 46  G   C OP1   1 
ATOM   3479 O OP2   . G   C 2 47  ? 20.241  18.200 44.643 1.00 135.73 ? 46  G   C OP2   1 
ATOM   3480 O "O5'" . G   C 2 47  ? 19.811  17.874 47.041 1.00 135.59 ? 46  G   C "O5'" 1 
ATOM   3481 C "C5'" . G   C 2 47  ? 19.033  17.831 48.231 1.00 133.18 ? 46  G   C "C5'" 1 
ATOM   3482 C "C4'" . G   C 2 47  ? 19.877  18.208 49.415 1.00 127.94 ? 46  G   C "C4'" 1 
ATOM   3483 O "O4'" . G   C 2 47  ? 21.253  17.863 49.110 1.00 134.74 ? 46  G   C "O4'" 1 
ATOM   3484 C "C3'" . G   C 2 47  ? 19.919  19.699 49.738 1.00 119.79 ? 46  G   C "C3'" 1 
ATOM   3485 O "O3'" . G   C 2 47  ? 18.865  20.099 50.595 1.00 116.69 ? 46  G   C "O3'" 1 
ATOM   3486 C "C2'" . G   C 2 47  ? 21.299  19.878 50.352 1.00 121.46 ? 46  G   C "C2'" 1 
ATOM   3487 O "O2'" . G   C 2 47  ? 21.316  19.436 51.704 1.00 122.41 ? 46  G   C "O2'" 1 
ATOM   3488 C "C1'" . G   C 2 47  ? 22.118  18.891 49.530 1.00 128.16 ? 46  G   C "C1'" 1 
ATOM   3489 N N9    . G   C 2 47  ? 22.770  19.475 48.334 1.00 126.95 ? 46  G   C N9    1 
ATOM   3490 C C8    . G   C 2 47  ? 23.239  18.693 47.305 1.00 132.07 ? 46  G   C C8    1 
ATOM   3491 N N7    . G   C 2 47  ? 23.813  19.357 46.348 1.00 129.48 ? 46  G   C N7    1 
ATOM   3492 C C5    . G   C 2 47  ? 23.733  20.677 46.761 1.00 118.97 ? 46  G   C C5    1 
ATOM   3493 C C6    . G   C 2 47  ? 24.196  21.855 46.109 1.00 107.25 ? 46  G   C C6    1 
ATOM   3494 O O6    . G   C 2 47  ? 24.778  21.966 45.019 1.00 105.34 ? 46  G   C O6    1 
ATOM   3495 N N1    . G   C 2 47  ? 23.921  22.996 46.852 1.00 99.99  ? 46  G   C N1    1 
ATOM   3496 C C2    . G   C 2 47  ? 23.285  23.001 48.068 1.00 101.37 ? 46  G   C C2    1 
ATOM   3497 N N2    . G   C 2 47  ? 23.107  24.197 48.645 1.00 96.54  ? 46  G   C N2    1 
ATOM   3498 N N3    . G   C 2 47  ? 22.851  21.911 48.683 1.00 109.85 ? 46  G   C N3    1 
ATOM   3499 C C4    . G   C 2 47  ? 23.102  20.777 47.990 1.00 118.36 ? 46  G   C C4    1 
ATOM   3500 P P     . C   C 2 48  ? 18.199  21.558 50.469 1.00 111.00 ? 47  C   C P     1 
ATOM   3501 O OP1   . C   C 2 48  ? 17.602  21.837 51.800 1.00 110.94 ? 47  C   C OP1   1 
ATOM   3502 O OP2   . C   C 2 48  ? 17.345  21.613 49.247 1.00 106.47 ? 47  C   C OP2   1 
ATOM   3503 O "O5'" . C   C 2 48  ? 19.429  22.562 50.314 1.00 104.92 ? 47  C   C "O5'" 1 
ATOM   3504 C "C5'" . C   C 2 48  ? 19.786  23.445 51.375 1.00 101.92 ? 47  C   C "C5'" 1 
ATOM   3505 C "C4'" . C   C 2 48  ? 19.473  24.892 51.055 1.00 99.07  ? 47  C   C "C4'" 1 
ATOM   3506 O "O4'" . C   C 2 48  ? 20.238  25.314 49.895 1.00 97.42  ? 47  C   C "O4'" 1 
ATOM   3507 C "C3'" . C   C 2 48  ? 18.018  25.205 50.738 1.00 100.90 ? 47  C   C "C3'" 1 
ATOM   3508 O "O3'" . C   C 2 48  ? 17.722  26.524 51.213 1.00 104.40 ? 47  C   C "O3'" 1 
ATOM   3509 C "C2'" . C   C 2 48  ? 17.989  25.159 49.205 1.00 99.69  ? 47  C   C "C2'" 1 
ATOM   3510 O "O2'" . C   C 2 48  ? 16.953  25.911 48.610 1.00 100.97 ? 47  C   C "O2'" 1 
ATOM   3511 C "C1'" . C   C 2 48  ? 19.367  25.714 48.844 1.00 96.28  ? 47  C   C "C1'" 1 
ATOM   3512 N N1    . C   C 2 48  ? 19.959  25.170 47.604 1.00 91.85  ? 47  C   C N1    1 
ATOM   3513 C C2    . C   C 2 48  ? 20.713  26.022 46.790 1.00 84.80  ? 47  C   C C2    1 
ATOM   3514 O O2    . C   C 2 48  ? 20.797  27.216 47.109 1.00 82.59  ? 47  C   C O2    1 
ATOM   3515 N N3    . C   C 2 48  ? 21.319  25.529 45.680 1.00 84.18  ? 47  C   C N3    1 
ATOM   3516 C C4    . C   C 2 48  ? 21.204  24.233 45.371 1.00 88.04  ? 47  C   C C4    1 
ATOM   3517 N N4    . C   C 2 48  ? 21.809  23.793 44.260 1.00 88.31  ? 47  C   C N4    1 
ATOM   3518 C C5    . C   C 2 48  ? 20.456  23.334 46.187 1.00 93.17  ? 47  C   C C5    1 
ATOM   3519 C C6    . C   C 2 48  ? 19.871  23.840 47.283 1.00 95.21  ? 47  C   C C6    1 
ATOM   3520 P P     . U   C 2 49  ? 16.885  26.748 52.582 1.00 110.84 ? 48  U   C P     1 
ATOM   3521 O OP1   . U   C 2 49  ? 17.099  25.625 53.550 1.00 103.60 ? 48  U   C OP1   1 
ATOM   3522 O OP2   . U   C 2 49  ? 15.528  27.171 52.131 1.00 105.95 ? 48  U   C OP2   1 
ATOM   3523 O "O5'" . U   C 2 49  ? 17.576  27.996 53.288 1.00 101.28 ? 48  U   C "O5'" 1 
ATOM   3524 C "C5'" . U   C 2 49  ? 17.552  29.295 52.702 1.00 95.09  ? 48  U   C "C5'" 1 
ATOM   3525 C "C4'" . U   C 2 49  ? 18.314  30.277 53.557 1.00 94.20  ? 48  U   C "C4'" 1 
ATOM   3526 O "O4'" . U   C 2 49  ? 17.590  30.457 54.803 1.00 95.71  ? 48  U   C "O4'" 1 
ATOM   3527 C "C3'" . U   C 2 49  ? 19.725  29.830 53.947 1.00 94.43  ? 48  U   C "C3'" 1 
ATOM   3528 O "O3'" . U   C 2 49  ? 20.638  30.938 54.111 1.00 92.67  ? 48  U   C "O3'" 1 
ATOM   3529 C "C2'" . U   C 2 49  ? 19.488  29.163 55.296 1.00 100.43 ? 48  U   C "C2'" 1 
ATOM   3530 O "O2'" . U   C 2 49  ? 20.639  29.070 56.114 1.00 103.12 ? 48  U   C "O2'" 1 
ATOM   3531 C "C1'" . U   C 2 49  ? 18.406  30.072 55.889 1.00 100.12 ? 48  U   C "C1'" 1 
ATOM   3532 N N1    . U   C 2 49  ? 17.554  29.440 56.915 1.00 107.71 ? 48  U   C N1    1 
ATOM   3533 C C2    . U   C 2 49  ? 16.709  30.271 57.643 1.00 109.83 ? 48  U   C C2    1 
ATOM   3534 O O2    . U   C 2 49  ? 16.627  31.475 57.438 1.00 108.06 ? 48  U   C O2    1 
ATOM   3535 N N3    . U   C 2 49  ? 15.945  29.640 58.605 1.00 114.10 ? 48  U   C N3    1 
ATOM   3536 C C4    . U   C 2 49  ? 15.947  28.294 58.924 1.00 114.38 ? 48  U   C C4    1 
ATOM   3537 O O4    . U   C 2 49  ? 15.200  27.878 59.812 1.00 112.86 ? 48  U   C O4    1 
ATOM   3538 C C5    . U   C 2 49  ? 16.856  27.503 58.146 1.00 112.62 ? 48  U   C C5    1 
ATOM   3539 C C6    . U   C 2 49  ? 17.608  28.088 57.198 1.00 110.58 ? 48  U   C C6    1 
ATOM   3540 P P     . A   C 2 50  ? 20.257  32.482 53.788 1.00 82.67  ? 49  A   C P     1 
ATOM   3541 O OP1   . A   C 2 50  ? 21.515  33.250 54.010 1.00 76.69  ? 49  A   C OP1   1 
ATOM   3542 O OP2   . A   C 2 50  ? 19.028  32.894 54.533 1.00 82.57  ? 49  A   C OP2   1 
ATOM   3543 O "O5'" . A   C 2 50  ? 20.021  32.529 52.207 1.00 76.88  ? 49  A   C "O5'" 1 
ATOM   3544 C "C5'" . A   C 2 50  ? 18.977  33.307 51.611 1.00 69.78  ? 49  A   C "C5'" 1 
ATOM   3545 C "C4'" . A   C 2 50  ? 18.767  32.962 50.147 1.00 64.96  ? 49  A   C "C4'" 1 
ATOM   3546 O "O4'" . A   C 2 50  ? 19.875  33.476 49.361 1.00 61.59  ? 49  A   C "O4'" 1 
ATOM   3547 C "C3'" . A   C 2 50  ? 18.703  31.473 49.828 1.00 67.48  ? 49  A   C "C3'" 1 
ATOM   3548 O "O3'" . A   C 2 50  ? 18.004  31.293 48.590 1.00 63.66  ? 49  A   C "O3'" 1 
ATOM   3549 C "C2'" . A   C 2 50  ? 20.175  31.162 49.575 1.00 66.47  ? 49  A   C "C2'" 1 
ATOM   3550 O "O2'" . A   C 2 50  ? 20.421  29.947 48.900 1.00 66.64  ? 49  A   C "O2'" 1 
ATOM   3551 C "C1'" . A   C 2 50  ? 20.570  32.393 48.762 1.00 61.90  ? 49  A   C "C1'" 1 
ATOM   3552 N N9    . A   C 2 50  ? 21.987  32.745 48.760 1.00 64.06  ? 49  A   C N9    1 
ATOM   3553 C C8    . A   C 2 50  ? 22.767  33.141 49.815 1.00 67.35  ? 49  A   C C8    1 
ATOM   3554 N N7    . A   C 2 50  ? 24.004  33.435 49.476 1.00 69.97  ? 49  A   C N7    1 
ATOM   3555 C C5    . A   C 2 50  ? 24.029  33.240 48.097 1.00 69.94  ? 49  A   C C5    1 
ATOM   3556 C C6    . A   C 2 50  ? 25.039  33.382 47.126 1.00 69.47  ? 49  A   C C6    1 
ATOM   3557 N N6    . A   C 2 50  ? 26.276  33.775 47.393 1.00 73.03  ? 49  A   C N6    1 
ATOM   3558 N N1    . A   C 2 50  ? 24.745  33.104 45.844 1.00 68.50  ? 49  A   C N1    1 
ATOM   3559 C C2    . A   C 2 50  ? 23.503  32.703 45.544 1.00 66.54  ? 49  A   C C2    1 
ATOM   3560 N N3    . A   C 2 50  ? 22.458  32.537 46.360 1.00 66.63  ? 49  A   C N3    1 
ATOM   3561 C C4    . A   C 2 50  ? 22.788  32.825 47.642 1.00 67.48  ? 49  A   C C4    1 
ATOM   3562 P P     . G   C 2 51  ? 16.470  31.740 48.379 1.00 60.22  ? 50  G   C P     1 
ATOM   3563 O OP1   . G   C 2 51  ? 16.108  33.067 48.965 1.00 57.21  ? 50  G   C OP1   1 
ATOM   3564 O OP2   . G   C 2 51  ? 15.660  30.525 48.644 1.00 67.55  ? 50  G   C OP2   1 
ATOM   3565 O "O5'" . G   C 2 51  ? 16.394  32.050 46.830 1.00 60.34  ? 50  G   C "O5'" 1 
ATOM   3566 C "C5'" . G   C 2 51  ? 16.218  33.388 46.389 1.00 58.58  ? 50  G   C "C5'" 1 
ATOM   3567 C "C4'" . G   C 2 51  ? 17.505  34.016 45.895 1.00 55.26  ? 50  G   C "C4'" 1 
ATOM   3568 O "O4'" . G   C 2 51  ? 18.596  33.068 45.975 1.00 57.50  ? 50  G   C "O4'" 1 
ATOM   3569 C "C3'" . G   C 2 51  ? 17.496  34.451 44.444 1.00 54.77  ? 50  G   C "C3'" 1 
ATOM   3570 O "O3'" . G   C 2 51  ? 16.846  35.700 44.261 1.00 53.03  ? 50  G   C "O3'" 1 
ATOM   3571 C "C2'" . G   C 2 51  ? 18.981  34.428 44.059 1.00 55.73  ? 50  G   C "C2'" 1 
ATOM   3572 O "O2'" . G   C 2 51  ? 19.641  35.626 44.445 1.00 52.93  ? 50  G   C "O2'" 1 
ATOM   3573 C "C1'" . G   C 2 51  ? 19.514  33.289 44.929 1.00 54.74  ? 50  G   C "C1'" 1 
ATOM   3574 N N9    . G   C 2 51  ? 19.716  32.007 44.234 1.00 57.24  ? 50  G   C N9    1 
ATOM   3575 C C8    . G   C 2 51  ? 19.121  30.832 44.632 1.00 59.06  ? 50  G   C C8    1 
ATOM   3576 N N7    . G   C 2 51  ? 19.459  29.790 43.930 1.00 61.36  ? 50  G   C N7    1 
ATOM   3577 C C5    . G   C 2 51  ? 20.354  30.314 43.016 1.00 60.82  ? 50  G   C C5    1 
ATOM   3578 C C6    . G   C 2 51  ? 21.054  29.641 41.994 1.00 62.70  ? 50  G   C C6    1 
ATOM   3579 O O6    . G   C 2 51  ? 21.001  28.432 41.726 1.00 65.38  ? 50  G   C O6    1 
ATOM   3580 N N1    . G   C 2 51  ? 21.868  30.519 41.277 1.00 61.29  ? 50  G   C N1    1 
ATOM   3581 C C2    . G   C 2 51  ? 21.991  31.872 41.508 1.00 59.08  ? 50  G   C C2    1 
ATOM   3582 N N2    . G   C 2 51  ? 22.833  32.546 40.711 1.00 58.09  ? 50  G   C N2    1 
ATOM   3583 N N3    . G   C 2 51  ? 21.332  32.516 42.472 1.00 57.81  ? 50  G   C N3    1 
ATOM   3584 C C4    . G   C 2 51  ? 20.542  31.679 43.185 1.00 58.82  ? 50  G   C C4    1 
ATOM   3585 P P     . C   C 2 52  ? 15.779  35.852 43.077 1.00 48.81  ? 51  C   C P     1 
ATOM   3586 O OP1   . C   C 2 52  ? 15.056  37.174 43.098 1.00 41.26  ? 51  C   C OP1   1 
ATOM   3587 O OP2   . C   C 2 52  ? 15.006  34.574 43.169 1.00 48.07  ? 51  C   C OP2   1 
ATOM   3588 O "O5'" . C   C 2 52  ? 16.747  35.887 41.803 1.00 51.00  ? 51  C   C "O5'" 1 
ATOM   3589 C "C5'" . C   C 2 52  ? 17.682  36.952 41.680 1.00 51.37  ? 51  C   C "C5'" 1 
ATOM   3590 C "C4'" . C   C 2 52  ? 18.589  36.844 40.478 1.00 53.36  ? 51  C   C "C4'" 1 
ATOM   3591 O "O4'" . C   C 2 52  ? 19.581  35.819 40.695 1.00 54.43  ? 51  C   C "O4'" 1 
ATOM   3592 C "C3'" . C   C 2 52  ? 17.965  36.457 39.153 1.00 56.79  ? 51  C   C "C3'" 1 
ATOM   3593 O "O3'" . C   C 2 52  ? 17.294  37.525 38.518 1.00 56.43  ? 51  C   C "O3'" 1 
ATOM   3594 C "C2'" . C   C 2 52  ? 19.174  35.961 38.379 1.00 57.85  ? 51  C   C "C2'" 1 
ATOM   3595 O "O2'" . C   C 2 52  ? 19.981  37.057 37.972 1.00 58.94  ? 51  C   C "O2'" 1 
ATOM   3596 C "C1'" . C   C 2 52  ? 19.928  35.223 39.473 1.00 54.92  ? 51  C   C "C1'" 1 
ATOM   3597 N N1    . C   C 2 52  ? 19.552  33.802 39.541 1.00 54.50  ? 51  C   C N1    1 
ATOM   3598 C C2    . C   C 2 52  ? 20.129  32.946 38.621 1.00 59.05  ? 51  C   C C2    1 
ATOM   3599 O O2    . C   C 2 52  ? 20.917  33.425 37.780 1.00 61.05  ? 51  C   C O2    1 
ATOM   3600 N N3    . C   C 2 52  ? 19.810  31.633 38.667 1.00 59.76  ? 51  C   C N3    1 
ATOM   3601 C C4    . C   C 2 52  ? 18.981  31.167 39.580 1.00 58.16  ? 51  C   C C4    1 
ATOM   3602 N N4    . C   C 2 52  ? 18.710  29.861 39.587 1.00 59.36  ? 51  C   C N4    1 
ATOM   3603 C C5    . C   C 2 52  ? 18.394  32.032 40.538 1.00 57.88  ? 51  C   C C5    1 
ATOM   3604 C C6    . C   C 2 52  ? 18.702  33.331 40.484 1.00 54.93  ? 51  C   C C6    1 
ATOM   3605 P P     . A   C 2 53  ? 16.054  37.234 37.546 1.00 49.70  ? 52  A   C P     1 
ATOM   3606 O OP1   . A   C 2 53  ? 15.502  38.551 37.123 1.00 49.14  ? 52  A   C OP1   1 
ATOM   3607 O OP2   . A   C 2 53  ? 15.186  36.212 38.176 1.00 51.16  ? 52  A   C OP2   1 
ATOM   3608 O "O5'" . A   C 2 53  ? 16.718  36.502 36.295 1.00 55.97  ? 52  A   C "O5'" 1 
ATOM   3609 C "C5'" . A   C 2 53  ? 17.564  37.193 35.389 1.00 54.68  ? 52  A   C "C5'" 1 
ATOM   3610 C "C4'" . A   C 2 53  ? 18.205  36.236 34.420 1.00 53.05  ? 52  A   C "C4'" 1 
ATOM   3611 O "O4'" . A   C 2 53  ? 18.951  35.227 35.141 1.00 56.32  ? 52  A   C "O4'" 1 
ATOM   3612 C "C3'" . A   C 2 53  ? 17.263  35.417 33.568 1.00 55.31  ? 52  A   C "C3'" 1 
ATOM   3613 O "O3'" . A   C 2 53  ? 16.727  36.143 32.488 1.00 57.13  ? 52  A   C "O3'" 1 
ATOM   3614 C "C2'" . A   C 2 53  ? 18.150  34.248 33.156 1.00 58.79  ? 52  A   C "C2'" 1 
ATOM   3615 O "O2'" . A   C 2 53  ? 19.135  34.643 32.210 1.00 59.96  ? 52  A   C "O2'" 1 
ATOM   3616 C "C1'" . A   C 2 53  ? 18.885  33.999 34.448 1.00 57.68  ? 52  A   C "C1'" 1 
ATOM   3617 N N9    . A   C 2 53  ? 18.212  32.997 35.280 1.00 57.60  ? 52  A   C N9    1 
ATOM   3618 C C8    . A   C 2 53  ? 17.427  33.132 36.395 1.00 59.31  ? 52  A   C C8    1 
ATOM   3619 N N7    . A   C 2 53  ? 17.042  31.977 36.894 1.00 61.31  ? 52  A   C N7    1 
ATOM   3620 C C5    . A   C 2 53  ? 17.617  31.037 36.043 1.00 62.16  ? 52  A   C C5    1 
ATOM   3621 C C6    . A   C 2 53  ? 17.599  29.631 36.001 1.00 65.78  ? 52  A   C C6    1 
ATOM   3622 N N6    . A   C 2 53  ? 16.945  28.882 36.887 1.00 68.11  ? 52  A   C N6    1 
ATOM   3623 N N1    . A   C 2 53  ? 18.280  29.008 35.013 1.00 65.75  ? 52  A   C N1    1 
ATOM   3624 C C2    . A   C 2 53  ? 18.928  29.766 34.130 1.00 66.11  ? 52  A   C C2    1 
ATOM   3625 N N3    . A   C 2 53  ? 19.020  31.090 34.054 1.00 64.10  ? 52  A   C N3    1 
ATOM   3626 C C4    . A   C 2 53  ? 18.336  31.662 35.051 1.00 60.91  ? 52  A   C C4    1 
ATOM   3627 P P     . C   C 2 54  ? 15.148  36.307 32.326 1.00 50.55  ? 53  C   C P     1 
ATOM   3628 O OP1   . C   C 2 54  ? 14.979  37.570 31.563 1.00 51.76  ? 53  C   C OP1   1 
ATOM   3629 O OP2   . C   C 2 54  ? 14.412  36.198 33.621 1.00 52.87  ? 53  C   C OP2   1 
ATOM   3630 O "O5'" . C   C 2 54  ? 14.755  35.068 31.407 1.00 53.56  ? 53  C   C "O5'" 1 
ATOM   3631 C "C5'" . C   C 2 54  ? 14.923  35.125 30.001 1.00 54.10  ? 53  C   C "C5'" 1 
ATOM   3632 C "C4'" . C   C 2 54  ? 15.698  33.932 29.526 1.00 56.27  ? 53  C   C "C4'" 1 
ATOM   3633 O "O4'" . C   C 2 54  ? 16.503  33.446 30.628 1.00 57.60  ? 53  C   C "O4'" 1 
ATOM   3634 C "C3'" . C   C 2 54  ? 14.871  32.722 29.110 1.00 57.43  ? 53  C   C "C3'" 1 
ATOM   3635 O "O3'" . C   C 2 54  ? 14.398  32.802 27.779 1.00 58.82  ? 53  C   C "O3'" 1 
ATOM   3636 C "C2'" . C   C 2 54  ? 15.835  31.570 29.351 1.00 59.09  ? 53  C   C "C2'" 1 
ATOM   3637 O "O2'" . C   C 2 54  ? 16.836  31.475 28.352 1.00 57.36  ? 53  C   C "O2'" 1 
ATOM   3638 C "C1'" . C   C 2 54  ? 16.524  32.035 30.625 1.00 60.78  ? 53  C   C "C1'" 1 
ATOM   3639 N N1    . C   C 2 54  ? 15.807  31.543 31.821 1.00 62.84  ? 53  C   C N1    1 
ATOM   3640 C C2    . C   C 2 54  ? 15.764  30.151 32.003 1.00 66.62  ? 53  C   C C2    1 
ATOM   3641 O O2    . C   C 2 54  ? 16.329  29.424 31.160 1.00 68.10  ? 53  C   C O2    1 
ATOM   3642 N N3    . C   C 2 54  ? 15.112  29.649 33.073 1.00 70.22  ? 53  C   C N3    1 
ATOM   3643 C C4    . C   C 2 54  ? 14.525  30.489 33.943 1.00 68.55  ? 53  C   C C4    1 
ATOM   3644 N N4    . C   C 2 54  ? 13.903  29.940 34.992 1.00 69.49  ? 53  C   C N4    1 
ATOM   3645 C C5    . C   C 2 54  ? 14.554  31.911 33.774 1.00 64.01  ? 53  C   C C5    1 
ATOM   3646 C C6    . C   C 2 54  ? 15.203  32.395 32.704 1.00 60.67  ? 53  C   C C6    1 
ATOM   3647 P P     . U   C 2 55  ? 12.878  32.414 27.417 1.00 59.13  ? 54  U   C P     1 
ATOM   3648 O OP1   . U   C 2 55  ? 12.660  32.805 25.991 1.00 55.47  ? 54  U   C OP1   1 
ATOM   3649 O OP2   . U   C 2 55  ? 11.959  32.930 28.488 1.00 61.38  ? 54  U   C OP2   1 
ATOM   3650 O "O5'" . U   C 2 55  ? 12.844  30.826 27.560 1.00 61.26  ? 54  U   C "O5'" 1 
ATOM   3651 C "C5'" . U   C 2 55  ? 13.761  29.990 26.873 1.00 61.92  ? 54  U   C "C5'" 1 
ATOM   3652 C "C4'" . U   C 2 55  ? 13.616  28.572 27.349 1.00 65.75  ? 54  U   C "C4'" 1 
ATOM   3653 O "O4'" . U   C 2 55  ? 14.178  28.450 28.686 1.00 69.56  ? 54  U   C "O4'" 1 
ATOM   3654 C "C3'" . U   C 2 55  ? 12.178  28.101 27.509 1.00 68.36  ? 54  U   C "C3'" 1 
ATOM   3655 O "O3'" . U   C 2 55  ? 11.588  27.694 26.285 1.00 70.25  ? 54  U   C "O3'" 1 
ATOM   3656 C "C2'" . U   C 2 55  ? 12.295  27.006 28.563 1.00 69.29  ? 54  U   C "C2'" 1 
ATOM   3657 O "O2'" . U   C 2 55  ? 12.776  25.788 28.015 1.00 67.30  ? 54  U   C "O2'" 1 
ATOM   3658 C "C1'" . U   C 2 55  ? 13.376  27.586 29.472 1.00 70.40  ? 54  U   C "C1'" 1 
ATOM   3659 N N1    . U   C 2 55  ? 12.790  28.369 30.587 1.00 71.57  ? 54  U   C N1    1 
ATOM   3660 C C2    . U   C 2 55  ? 12.214  27.702 31.670 1.00 75.19  ? 54  U   C C2    1 
ATOM   3661 O O2    . U   C 2 55  ? 12.156  26.490 31.775 1.00 78.29  ? 54  U   C O2    1 
ATOM   3662 N N3    . U   C 2 55  ? 11.687  28.505 32.650 1.00 74.11  ? 54  U   C N3    1 
ATOM   3663 C C4    . U   C 2 55  ? 11.678  29.885 32.668 1.00 73.85  ? 54  U   C C4    1 
ATOM   3664 O O4    . U   C 2 55  ? 11.169  30.485 33.621 1.00 74.26  ? 54  U   C O4    1 
ATOM   3665 C C5    . U   C 2 55  ? 12.291  30.495 31.519 1.00 70.74  ? 54  U   C C5    1 
ATOM   3666 C C6    . U   C 2 55  ? 12.809  29.743 30.541 1.00 68.46  ? 54  U   C C6    1 
ATOM   3667 P P     . C   C 2 56  ? 10.039  28.013 25.971 1.00 72.24  ? 55  C   C P     1 
ATOM   3668 O OP1   . C   C 2 56  ? 9.933   28.153 24.490 1.00 68.21  ? 55  C   C OP1   1 
ATOM   3669 O OP2   . C   C 2 56  ? 9.479   29.059 26.886 1.00 67.51  ? 55  C   C OP2   1 
ATOM   3670 O "O5'" . C   C 2 56  ? 9.309   26.664 26.370 1.00 70.96  ? 55  C   C "O5'" 1 
ATOM   3671 C "C5'" . C   C 2 56  ? 9.893   25.412 26.059 1.00 71.40  ? 55  C   C "C5'" 1 
ATOM   3672 C "C4'" . C   C 2 56  ? 9.379   24.356 26.994 1.00 74.06  ? 55  C   C "C4'" 1 
ATOM   3673 O "O4'" . C   C 2 56  ? 10.051  24.468 28.276 1.00 75.25  ? 55  C   C "O4'" 1 
ATOM   3674 C "C3'" . C   C 2 56  ? 7.907   24.467 27.355 1.00 78.98  ? 55  C   C "C3'" 1 
ATOM   3675 O "O3'" . C   C 2 56  ? 7.030   23.998 26.344 1.00 80.51  ? 55  C   C "O3'" 1 
ATOM   3676 C "C2'" . C   C 2 56  ? 7.846   23.695 28.664 1.00 82.20  ? 55  C   C "C2'" 1 
ATOM   3677 O "O2'" . C   C 2 56  ? 7.968   22.303 28.420 1.00 84.13  ? 55  C   C "O2'" 1 
ATOM   3678 C "C1'" . C   C 2 56  ? 9.144   24.155 29.319 1.00 79.88  ? 55  C   C "C1'" 1 
ATOM   3679 N N1    . C   C 2 56  ? 8.955   25.348 30.190 1.00 80.44  ? 55  C   C N1    1 
ATOM   3680 C C2    . C   C 2 56  ? 8.466   25.182 31.489 1.00 85.69  ? 55  C   C C2    1 
ATOM   3681 O O2    . C   C 2 56  ? 8.194   24.038 31.864 1.00 90.67  ? 55  C   C O2    1 
ATOM   3682 N N3    . C   C 2 56  ? 8.292   26.253 32.309 1.00 86.31  ? 55  C   C N3    1 
ATOM   3683 C C4    . C   C 2 56  ? 8.591   27.481 31.887 1.00 83.12  ? 55  C   C C4    1 
ATOM   3684 N N4    . C   C 2 56  ? 8.408   28.510 32.724 1.00 82.50  ? 55  C   C N4    1 
ATOM   3685 C C5    . C   C 2 56  ? 9.097   27.691 30.572 1.00 79.61  ? 55  C   C C5    1 
ATOM   3686 C C6    . C   C 2 56  ? 9.257   26.617 29.777 1.00 78.98  ? 55  C   C C6    1 
ATOM   3687 P P     . U   C 2 57  ? 5.433   24.073 26.536 1.00 82.63  ? 56  U   C P     1 
ATOM   3688 O OP1   . U   C 2 57  ? 4.845   23.996 25.170 1.00 85.11  ? 56  U   C OP1   1 
ATOM   3689 O OP2   . U   C 2 57  ? 5.008   25.175 27.445 1.00 79.39  ? 56  U   C OP2   1 
ATOM   3690 O "O5'" . U   C 2 57  ? 5.104   22.721 27.290 1.00 83.33  ? 56  U   C "O5'" 1 
ATOM   3691 C "C5'" . U   C 2 57  ? 3.794   22.205 27.260 1.00 89.95  ? 56  U   C "C5'" 1 
ATOM   3692 C "C4'" . U   C 2 57  ? 3.341   21.782 28.628 1.00 94.98  ? 56  U   C "C4'" 1 
ATOM   3693 O "O4'" . U   C 2 57  ? 4.334   22.117 29.639 1.00 97.33  ? 56  U   C "O4'" 1 
ATOM   3694 C "C3'" . U   C 2 57  ? 2.090   22.452 29.148 1.00 97.67  ? 56  U   C "C3'" 1 
ATOM   3695 O "O3'" . U   C 2 57  ? 0.898   22.021 28.510 1.00 98.46  ? 56  U   C "O3'" 1 
ATOM   3696 C "C2'" . U   C 2 57  ? 2.180   22.149 30.639 1.00 97.10  ? 56  U   C "C2'" 1 
ATOM   3697 O "O2'" . U   C 2 57  ? 1.859   20.792 30.903 1.00 99.84  ? 56  U   C "O2'" 1 
ATOM   3698 C "C1'" . U   C 2 57  ? 3.678   22.335 30.882 1.00 96.32  ? 56  U   C "C1'" 1 
ATOM   3699 N N1    . U   C 2 57  ? 4.004   23.690 31.409 1.00 94.82  ? 56  U   C N1    1 
ATOM   3700 C C2    . U   C 2 57  ? 3.511   24.057 32.659 1.00 96.81  ? 56  U   C C2    1 
ATOM   3701 O O2    . U   C 2 57  ? 2.812   23.338 33.355 1.00 98.87  ? 56  U   C O2    1 
ATOM   3702 N N3    . U   C 2 57  ? 3.848   25.319 33.095 1.00 94.10  ? 56  U   C N3    1 
ATOM   3703 C C4    . U   C 2 57  ? 4.615   26.251 32.439 1.00 90.74  ? 56  U   C C4    1 
ATOM   3704 O O4    . U   C 2 57  ? 4.826   27.343 32.964 1.00 90.09  ? 56  U   C O4    1 
ATOM   3705 C C5    . U   C 2 57  ? 5.092   25.809 31.166 1.00 90.96  ? 56  U   C C5    1 
ATOM   3706 C C6    . U   C 2 57  ? 4.783   24.584 30.710 1.00 92.90  ? 56  U   C C6    1 
ATOM   3707 P P     . G   C 2 58  ? 0.149   23.010 27.485 1.00 101.70 ? 57  G   C P     1 
ATOM   3708 O OP1   . G   C 2 58  ? 0.221   22.459 26.101 1.00 105.68 ? 57  G   C OP1   1 
ATOM   3709 O OP2   . G   C 2 58  ? 0.603   24.401 27.757 1.00 100.97 ? 57  G   C OP2   1 
ATOM   3710 O "O5'" . G   C 2 58  ? -1.356  22.967 27.975 1.00 102.23 ? 57  G   C "O5'" 1 
ATOM   3711 C "C5'" . G   C 2 58  ? -1.828  23.963 28.864 1.00 101.77 ? 57  G   C "C5'" 1 
ATOM   3712 C "C4'" . G   C 2 58  ? -1.738  23.526 30.305 1.00 100.53 ? 57  G   C "C4'" 1 
ATOM   3713 O "O4'" . G   C 2 58  ? -0.374  23.641 30.774 1.00 98.52  ? 57  G   C "O4'" 1 
ATOM   3714 C "C3'" . G   C 2 58  ? -2.531  24.371 31.283 1.00 100.14 ? 57  G   C "C3'" 1 
ATOM   3715 O "O3'" . G   C 2 58  ? -3.899  24.021 31.305 1.00 102.98 ? 57  G   C "O3'" 1 
ATOM   3716 C "C2'" . G   C 2 58  ? -1.802  24.137 32.596 1.00 100.08 ? 57  G   C "C2'" 1 
ATOM   3717 O "O2'" . G   C 2 58  ? -2.128  22.857 33.112 1.00 103.67 ? 57  G   C "O2'" 1 
ATOM   3718 C "C1'" . G   C 2 58  ? -0.358  24.084 32.119 1.00 97.95  ? 57  G   C "C1'" 1 
ATOM   3719 N N9    . G   C 2 58  ? 0.324   25.397 32.150 1.00 95.89  ? 57  G   C N9    1 
ATOM   3720 C C8    . G   C 2 58  ? 1.163   25.802 31.131 1.00 98.50  ? 57  G   C C8    1 
ATOM   3721 N N7    . G   C 2 58  ? 1.702   26.974 31.310 1.00 98.34  ? 57  G   C N7    1 
ATOM   3722 C C5    . G   C 2 58  ? 1.187   27.375 32.536 1.00 94.61  ? 57  G   C C5    1 
ATOM   3723 C C6    . G   C 2 58  ? 1.440   28.585 33.222 1.00 91.43  ? 57  G   C C6    1 
ATOM   3724 O O6    . G   C 2 58  ? 2.170   29.518 32.856 1.00 91.05  ? 57  G   C O6    1 
ATOM   3725 N N1    . G   C 2 58  ? 0.744   28.632 34.424 1.00 90.29  ? 57  G   C N1    1 
ATOM   3726 C C2    . G   C 2 58  ? -0.085  27.635 34.897 1.00 91.74  ? 57  G   C C2    1 
ATOM   3727 N N2    . G   C 2 58  ? -0.660  27.882 36.080 1.00 92.83  ? 57  G   C N2    1 
ATOM   3728 N N3    . G   C 2 58  ? -0.330  26.492 34.259 1.00 93.93  ? 57  G   C N3    1 
ATOM   3729 C C4    . G   C 2 58  ? 0.339   26.421 33.084 1.00 92.62  ? 57  G   C C4    1 
ATOM   3730 P P     . G   C 2 59  ? -4.949  24.980 30.575 1.00 94.02  ? 58  G   C P     1 
ATOM   3731 O OP1   . G   C 2 59  ? -6.294  24.498 30.986 1.00 99.64  ? 58  G   C OP1   1 
ATOM   3732 O OP2   . G   C 2 59  ? -4.590  25.164 29.140 1.00 96.82  ? 58  G   C OP2   1 
ATOM   3733 O "O5'" . G   C 2 59  ? -4.702  26.381 31.273 1.00 92.15  ? 58  G   C "O5'" 1 
ATOM   3734 C "C5'" . G   C 2 59  ? -5.733  26.969 32.041 1.00 91.05  ? 58  G   C "C5'" 1 
ATOM   3735 C "C4'" . G   C 2 59  ? -5.287  27.343 33.432 1.00 89.05  ? 58  G   C "C4'" 1 
ATOM   3736 O "O4'" . G   C 2 59  ? -3.837  27.345 33.567 1.00 91.38  ? 58  G   C "O4'" 1 
ATOM   3737 C "C3'" . G   C 2 59  ? -5.698  28.735 33.853 1.00 84.38  ? 58  G   C "C3'" 1 
ATOM   3738 O "O3'" . G   C 2 59  ? -7.044  28.766 34.245 1.00 80.84  ? 58  G   C "O3'" 1 
ATOM   3739 C "C2'" . G   C 2 59  ? -4.715  29.062 34.969 1.00 86.24  ? 58  G   C "C2'" 1 
ATOM   3740 O "O2'" . G   C 2 59  ? -5.131  28.459 36.191 1.00 86.61  ? 58  G   C "O2'" 1 
ATOM   3741 C "C1'" . G   C 2 59  ? -3.441  28.367 34.467 1.00 87.28  ? 58  G   C "C1'" 1 
ATOM   3742 N N9    . G   C 2 59  ? -2.511  29.287 33.767 1.00 85.99  ? 58  G   C N9    1 
ATOM   3743 C C8    . G   C 2 59  ? -2.007  29.079 32.497 1.00 87.11  ? 58  G   C C8    1 
ATOM   3744 N N7    . G   C 2 59  ? -1.195  30.012 32.082 1.00 84.08  ? 58  G   C N7    1 
ATOM   3745 C C5    . G   C 2 59  ? -1.141  30.905 33.141 1.00 81.84  ? 58  G   C C5    1 
ATOM   3746 C C6    . G   C 2 59  ? -0.408  32.118 33.257 1.00 76.87  ? 58  G   C C6    1 
ATOM   3747 O O6    . G   C 2 59  ? 0.336   32.638 32.424 1.00 76.95  ? 58  G   C O6    1 
ATOM   3748 N N1    . G   C 2 59  ? -0.604  32.742 34.485 1.00 75.97  ? 58  G   C N1    1 
ATOM   3749 C C2    . G   C 2 59  ? -1.416  32.243 35.476 1.00 76.77  ? 58  G   C C2    1 
ATOM   3750 N N2    . G   C 2 59  ? -1.486  32.985 36.593 1.00 75.92  ? 58  G   C N2    1 
ATOM   3751 N N3    . G   C 2 59  ? -2.117  31.107 35.385 1.00 79.09  ? 58  G   C N3    1 
ATOM   3752 C C4    . G   C 2 59  ? -1.935  30.477 34.198 1.00 83.03  ? 58  G   C C4    1 
ATOM   3753 P P     . U   C 2 60  ? -8.074  29.682 33.439 1.00 85.90  ? 59  U   C P     1 
ATOM   3754 O OP1   . U   C 2 60  ? -9.440  29.099 33.593 1.00 90.33  ? 59  U   C OP1   1 
ATOM   3755 O OP2   . U   C 2 60  ? -7.533  29.910 32.069 1.00 84.91  ? 59  U   C OP2   1 
ATOM   3756 O "O5'" . U   C 2 60  ? -8.045  31.029 34.282 1.00 81.19  ? 59  U   C "O5'" 1 
ATOM   3757 C "C5'" . U   C 2 60  ? -8.089  30.973 35.700 1.00 79.37  ? 59  U   C "C5'" 1 
ATOM   3758 C "C4'" . U   C 2 60  ? -7.533  32.227 36.314 1.00 76.52  ? 59  U   C "C4'" 1 
ATOM   3759 O "O4'" . U   C 2 60  ? -6.085  32.179 36.316 1.00 76.89  ? 59  U   C "O4'" 1 
ATOM   3760 C "C3'" . U   C 2 60  ? -7.840  33.510 35.569 1.00 74.30  ? 59  U   C "C3'" 1 
ATOM   3761 O "O3'" . U   C 2 60  ? -9.155  33.982 35.758 1.00 71.39  ? 59  U   C "O3'" 1 
ATOM   3762 C "C2'" . U   C 2 60  ? -6.751  34.445 36.069 1.00 72.18  ? 59  U   C "C2'" 1 
ATOM   3763 O "O2'" . U   C 2 60  ? -7.035  34.894 37.387 1.00 71.26  ? 59  U   C "O2'" 1 
ATOM   3764 C "C1'" . U   C 2 60  ? -5.566  33.487 36.141 1.00 74.12  ? 59  U   C "C1'" 1 
ATOM   3765 N N1    . U   C 2 60  ? -4.751  33.518 34.907 1.00 71.99  ? 59  U   C N1    1 
ATOM   3766 C C2    . U   C 2 60  ? -3.915  34.605 34.731 1.00 69.98  ? 59  U   C C2    1 
ATOM   3767 O O2    . U   C 2 60  ? -3.849  35.515 35.539 1.00 67.51  ? 59  U   C O2    1 
ATOM   3768 N N3    . U   C 2 60  ? -3.172  34.589 33.566 1.00 72.30  ? 59  U   C N3    1 
ATOM   3769 C C4    . U   C 2 60  ? -3.187  33.613 32.587 1.00 71.12  ? 59  U   C C4    1 
ATOM   3770 O O4    . U   C 2 60  ? -2.462  33.726 31.606 1.00 68.37  ? 59  U   C O4    1 
ATOM   3771 C C5    . U   C 2 60  ? -4.080  32.523 32.843 1.00 75.68  ? 59  U   C C5    1 
ATOM   3772 C C6    . U   C 2 60  ? -4.812  32.512 33.968 1.00 76.44  ? 59  U   C C6    1 
ATOM   3773 P P     . A   C 2 61  ? -9.888  34.684 34.522 1.00 74.07  ? 60  A   C P     1 
ATOM   3774 O OP1   . A   C 2 61  ? -11.299 34.944 34.921 1.00 74.74  ? 60  A   C OP1   1 
ATOM   3775 O OP2   . A   C 2 61  ? -9.601  33.896 33.288 1.00 71.53  ? 60  A   C OP2   1 
ATOM   3776 O "O5'" . A   C 2 61  ? -9.153  36.089 34.452 1.00 65.96  ? 60  A   C "O5'" 1 
ATOM   3777 C "C5'" . A   C 2 61  ? -9.204  36.949 35.570 1.00 65.21  ? 60  A   C "C5'" 1 
ATOM   3778 C "C4'" . A   C 2 61  ? -8.327  38.146 35.373 1.00 64.05  ? 60  A   C "C4'" 1 
ATOM   3779 O "O4'" . A   C 2 61  ? -6.937  37.739 35.257 1.00 66.76  ? 60  A   C "O4'" 1 
ATOM   3780 C "C3'" . A   C 2 61  ? -8.574  38.952 34.116 1.00 63.06  ? 60  A   C "C3'" 1 
ATOM   3781 O "O3'" . A   C 2 61  ? -9.685  39.813 34.251 1.00 62.35  ? 60  A   C "O3'" 1 
ATOM   3782 C "C2'" . A   C 2 61  ? -7.257  39.693 33.953 1.00 64.09  ? 60  A   C "C2'" 1 
ATOM   3783 O "O2'" . A   C 2 61  ? -7.188  40.762 34.895 1.00 57.87  ? 60  A   C "O2'" 1 
ATOM   3784 C "C1'" . A   C 2 61  ? -6.259  38.616 34.382 1.00 62.87  ? 60  A   C "C1'" 1 
ATOM   3785 N N9    . A   C 2 61  ? -5.685  37.819 33.264 1.00 64.39  ? 60  A   C N9    1 
ATOM   3786 C C8    . A   C 2 61  ? -5.985  36.520 32.894 1.00 65.78  ? 60  A   C C8    1 
ATOM   3787 N N7    . A   C 2 61  ? -5.261  36.046 31.894 1.00 64.03  ? 60  A   C N7    1 
ATOM   3788 C C5    . A   C 2 61  ? -4.419  37.096 31.581 1.00 60.93  ? 60  A   C C5    1 
ATOM   3789 C C6    . A   C 2 61  ? -3.419  37.238 30.609 1.00 59.85  ? 60  A   C C6    1 
ATOM   3790 N N6    . A   C 2 61  ? -3.073  36.290 29.736 1.00 63.11  ? 60  A   C N6    1 
ATOM   3791 N N1    . A   C 2 61  ? -2.762  38.414 30.548 1.00 60.64  ? 60  A   C N1    1 
ATOM   3792 C C2    . A   C 2 61  ? -3.097  39.368 31.428 1.00 61.74  ? 60  A   C C2    1 
ATOM   3793 N N3    . A   C 2 61  ? -4.016  39.359 32.391 1.00 61.93  ? 60  A   C N3    1 
ATOM   3794 C C4    . A   C 2 61  ? -4.657  38.180 32.416 1.00 62.69  ? 60  A   C C4    1 
ATOM   3795 P P     . U   C 2 62  ? -10.569 40.232 32.974 1.00 64.17  ? 61  U   C P     1 
ATOM   3796 O OP1   . U   C 2 62  ? -11.671 41.084 33.517 1.00 64.63  ? 61  U   C OP1   1 
ATOM   3797 O OP2   . U   C 2 62  ? -10.856 39.035 32.129 1.00 66.81  ? 61  U   C OP2   1 
ATOM   3798 O "O5'" . U   C 2 62  ? -9.609  41.202 32.149 1.00 63.15  ? 61  U   C "O5'" 1 
ATOM   3799 C "C5'" . U   C 2 62  ? -9.323  42.499 32.654 1.00 62.99  ? 61  U   C "C5'" 1 
ATOM   3800 C "C4'" . U   C 2 62  ? -8.154  43.123 31.946 1.00 60.64  ? 61  U   C "C4'" 1 
ATOM   3801 O "O4'" . U   C 2 62  ? -7.011  42.237 32.027 1.00 60.29  ? 61  U   C "O4'" 1 
ATOM   3802 C "C3'" . U   C 2 62  ? -8.339  43.361 30.457 1.00 61.54  ? 61  U   C "C3'" 1 
ATOM   3803 O "O3'" . U   C 2 62  ? -9.041  44.568 30.202 1.00 61.43  ? 61  U   C "O3'" 1 
ATOM   3804 C "C2'" . U   C 2 62  ? -6.906  43.354 29.954 1.00 58.27  ? 61  U   C "C2'" 1 
ATOM   3805 O "O2'" . U   C 2 62  ? -6.268  44.567 30.330 1.00 55.83  ? 61  U   C "O2'" 1 
ATOM   3806 C "C1'" . U   C 2 62  ? -6.310  42.244 30.808 1.00 57.91  ? 61  U   C "C1'" 1 
ATOM   3807 N N1    . U   C 2 62  ? -6.435  40.890 30.211 1.00 58.47  ? 61  U   C N1    1 
ATOM   3808 C C2    . U   C 2 62  ? -5.483  40.543 29.303 1.00 57.29  ? 61  U   C C2    1 
ATOM   3809 O O2    . U   C 2 62  ? -4.624  41.347 29.003 1.00 58.04  ? 61  U   C O2    1 
ATOM   3810 N N3    . U   C 2 62  ? -5.575  39.272 28.775 1.00 56.05  ? 61  U   C N3    1 
ATOM   3811 C C4    . U   C 2 62  ? -6.501  38.302 29.078 1.00 57.03  ? 61  U   C C4    1 
ATOM   3812 O O4    . U   C 2 62  ? -6.446  37.201 28.523 1.00 58.00  ? 61  U   C O4    1 
ATOM   3813 C C5    . U   C 2 62  ? -7.455  38.728 30.058 1.00 59.42  ? 61  U   C C5    1 
ATOM   3814 C C6    . U   C 2 62  ? -7.389  39.965 30.579 1.00 59.34  ? 61  U   C C6    1 
ATOM   3815 P P     . C   C 2 63  ? -9.571  44.944 28.732 1.00 61.67  ? 62  C   C P     1 
ATOM   3816 O OP1   . C   C 2 63  ? -10.057 46.346 28.870 1.00 62.78  ? 62  C   C OP1   1 
ATOM   3817 O OP2   . C   C 2 63  ? -10.430 43.873 28.151 1.00 62.47  ? 62  C   C OP2   1 
ATOM   3818 O "O5'" . C   C 2 63  ? -8.259  44.925 27.839 1.00 59.72  ? 62  C   C "O5'" 1 
ATOM   3819 C "C5'" . C   C 2 63  ? -7.593  46.119 27.482 1.00 59.61  ? 62  C   C "C5'" 1 
ATOM   3820 C "C4'" . C   C 2 63  ? -6.662  45.854 26.334 1.00 58.81  ? 62  C   C "C4'" 1 
ATOM   3821 O "O4'" . C   C 2 63  ? -5.877  44.677 26.631 1.00 56.95  ? 62  C   C "O4'" 1 
ATOM   3822 C "C3'" . C   C 2 63  ? -7.326  45.494 25.027 1.00 60.30  ? 62  C   C "C3'" 1 
ATOM   3823 O "O3'" . C   C 2 63  ? -7.841  46.607 24.327 1.00 62.19  ? 62  C   C "O3'" 1 
ATOM   3824 C "C2'" . C   C 2 63  ? -6.215  44.766 24.300 1.00 58.96  ? 62  C   C "C2'" 1 
ATOM   3825 O "O2'" . C   C 2 63  ? -5.247  45.703 23.861 1.00 58.65  ? 62  C   C "O2'" 1 
ATOM   3826 C "C1'" . C   C 2 63  ? -5.606  43.970 25.443 1.00 57.00  ? 62  C   C "C1'" 1 
ATOM   3827 N N1    . C   C 2 63  ? -6.158  42.602 25.566 1.00 57.10  ? 62  C   C N1    1 
ATOM   3828 C C2    . C   C 2 63  ? -5.539  41.561 24.861 1.00 56.48  ? 62  C   C C2    1 
ATOM   3829 O O2    . C   C 2 63  ? -4.565  41.817 24.133 1.00 55.85  ? 62  C   C O2    1 
ATOM   3830 N N3    . C   C 2 63  ? -6.003  40.295 24.966 1.00 56.82  ? 62  C   C N3    1 
ATOM   3831 C C4    . C   C 2 63  ? -7.039  40.043 25.750 1.00 57.76  ? 62  C   C C4    1 
ATOM   3832 N N4    . C   C 2 63  ? -7.456  38.779 25.827 1.00 58.57  ? 62  C   C N4    1 
ATOM   3833 C C5    . C   C 2 63  ? -7.677  41.080 26.488 1.00 58.35  ? 62  C   C C5    1 
ATOM   3834 C C6    . C   C 2 63  ? -7.212  42.329 26.377 1.00 57.98  ? 62  C   C C6    1 
ATOM   3835 P P     . A   C 2 64  ? -9.107  46.412 23.367 1.00 64.55  ? 63  A   C P     1 
ATOM   3836 O OP1   . A   C 2 64  ? -9.744  47.749 23.292 1.00 66.47  ? 63  A   C OP1   1 
ATOM   3837 O OP2   . A   C 2 64  ? -9.825  45.165 23.738 1.00 64.56  ? 63  A   C OP2   1 
ATOM   3838 O "O5'" . A   C 2 64  ? -8.469  46.042 21.960 1.00 64.61  ? 63  A   C "O5'" 1 
ATOM   3839 C "C5'" . A   C 2 64  ? -8.725  46.825 20.799 1.00 66.58  ? 63  A   C "C5'" 1 
ATOM   3840 C "C4'" . A   C 2 64  ? -7.807  46.418 19.678 1.00 66.26  ? 63  A   C "C4'" 1 
ATOM   3841 O "O4'" . A   C 2 64  ? -7.168  47.607 19.147 1.00 66.94  ? 63  A   C "O4'" 1 
ATOM   3842 C "C3'" . A   C 2 64  ? -6.684  45.484 20.120 1.00 63.75  ? 63  A   C "C3'" 1 
ATOM   3843 O "O3'" . A   C 2 64  ? -6.331  44.527 19.113 1.00 63.95  ? 63  A   C "O3'" 1 
ATOM   3844 C "C2'" . A   C 2 64  ? -5.516  46.437 20.342 1.00 62.75  ? 63  A   C "C2'" 1 
ATOM   3845 O "O2'" . A   C 2 64  ? -4.240  45.852 20.184 1.00 63.98  ? 63  A   C "O2'" 1 
ATOM   3846 C "C1'" . A   C 2 64  ? -5.766  47.500 19.278 1.00 65.03  ? 63  A   C "C1'" 1 
ATOM   3847 N N9    . A   C 2 64  ? -5.244  48.806 19.668 1.00 65.11  ? 63  A   C N9    1 
ATOM   3848 C C8    . A   C 2 64  ? -4.329  49.601 19.017 1.00 65.64  ? 63  A   C C8    1 
ATOM   3849 N N7    . A   C 2 64  ? -4.060  50.714 19.663 1.00 65.74  ? 63  A   C N7    1 
ATOM   3850 C C5    . A   C 2 64  ? -4.843  50.635 20.812 1.00 65.21  ? 63  A   C C5    1 
ATOM   3851 C C6    . A   C 2 64  ? -5.003  51.502 21.905 1.00 65.21  ? 63  A   C C6    1 
ATOM   3852 N N6    . A   C 2 64  ? -4.365  52.672 22.032 1.00 65.76  ? 63  A   C N6    1 
ATOM   3853 N N1    . A   C 2 64  ? -5.851  51.111 22.882 1.00 67.81  ? 63  A   C N1    1 
ATOM   3854 C C2    . A   C 2 64  ? -6.489  49.940 22.741 1.00 66.95  ? 63  A   C C2    1 
ATOM   3855 N N3    . A   C 2 64  ? -6.423  49.044 21.763 1.00 64.50  ? 63  A   C N3    1 
ATOM   3856 C C4    . A   C 2 64  ? -5.570  49.459 20.826 1.00 64.82  ? 63  A   C C4    1 
ATOM   3857 P P     . C   C 2 65  ? -7.191  44.283 17.784 1.00 66.39  ? 64  C   C P     1 
ATOM   3858 O OP1   . C   C 2 65  ? -6.595  45.253 16.833 1.00 67.45  ? 64  C   C OP1   1 
ATOM   3859 O OP2   . C   C 2 65  ? -8.650  44.174 18.008 1.00 67.94  ? 64  C   C OP2   1 
ATOM   3860 O "O5'" . C   C 2 65  ? -6.774  42.810 17.363 1.00 65.72  ? 64  C   C "O5'" 1 
ATOM   3861 C "C5'" . C   C 2 65  ? -5.406  42.431 17.376 1.00 63.93  ? 64  C   C "C5'" 1 
ATOM   3862 C "C4'" . C   C 2 65  ? -5.190  41.112 18.079 1.00 63.30  ? 64  C   C "C4'" 1 
ATOM   3863 O "O4'" . C   C 2 65  ? -5.518  41.229 19.498 1.00 63.26  ? 64  C   C "O4'" 1 
ATOM   3864 C "C3'" . C   C 2 65  ? -6.011  39.940 17.547 1.00 63.76  ? 64  C   C "C3'" 1 
ATOM   3865 O "O3'" . C   C 2 65  ? -5.240  38.754 17.690 1.00 65.98  ? 64  C   C "O3'" 1 
ATOM   3866 C "C2'" . C   C 2 65  ? -7.168  39.866 18.532 1.00 64.04  ? 64  C   C "C2'" 1 
ATOM   3867 O "O2'" . C   C 2 65  ? -7.767  38.591 18.591 1.00 65.35  ? 64  C   C "O2'" 1 
ATOM   3868 C "C1'" . C   C 2 65  ? -6.468  40.231 19.843 1.00 61.75  ? 64  C   C "C1'" 1 
ATOM   3869 N N1    . C   C 2 65  ? -7.354  40.731 20.922 1.00 61.91  ? 64  C   C N1    1 
ATOM   3870 C C2    . C   C 2 65  ? -7.914  39.811 21.821 1.00 61.78  ? 64  C   C C2    1 
ATOM   3871 O O2    . C   C 2 65  ? -7.663  38.597 21.690 1.00 61.55  ? 64  C   C O2    1 
ATOM   3872 N N3    . C   C 2 65  ? -8.732  40.272 22.800 1.00 62.18  ? 64  C   C N3    1 
ATOM   3873 C C4    . C   C 2 65  ? -8.989  41.579 22.931 1.00 62.63  ? 64  C   C C4    1 
ATOM   3874 N N4    . C   C 2 65  ? -9.792  41.980 23.921 1.00 63.19  ? 64  C   C N4    1 
ATOM   3875 C C5    . C   C 2 65  ? -8.430  42.538 22.049 1.00 62.80  ? 64  C   C C5    1 
ATOM   3876 C C6    . C   C 2 65  ? -7.633  42.069 21.080 1.00 62.44  ? 64  C   C C6    1 
ATOM   3877 P P     . G   C 2 66  ? -4.451  38.132 16.439 1.00 69.88  ? 65  G   C P     1 
ATOM   3878 O OP1   . G   C 2 66  ? -5.234  38.456 15.208 1.00 70.34  ? 65  G   C OP1   1 
ATOM   3879 O OP2   . G   C 2 66  ? -4.130  36.725 16.813 1.00 67.86  ? 65  G   C OP2   1 
ATOM   3880 O "O5'" . G   C 2 66  ? -3.049  38.892 16.410 1.00 61.79  ? 65  G   C "O5'" 1 
ATOM   3881 C "C5'" . G   C 2 66  ? -1.935  38.356 17.114 1.00 59.68  ? 65  G   C "C5'" 1 
ATOM   3882 C "C4'" . G   C 2 66  ? -0.774  39.320 17.175 1.00 58.60  ? 65  G   C "C4'" 1 
ATOM   3883 O "O4'" . G   C 2 66  ? -1.253  40.681 17.101 1.00 59.43  ? 65  G   C "O4'" 1 
ATOM   3884 C "C3'" . G   C 2 66  ? 0.062   39.276 18.442 1.00 56.21  ? 65  G   C "C3'" 1 
ATOM   3885 O "O3'" . G   C 2 66  ? 1.037   38.244 18.378 1.00 56.54  ? 65  G   C "O3'" 1 
ATOM   3886 C "C2'" . G   C 2 66  ? 0.665   40.682 18.520 1.00 55.90  ? 65  G   C "C2'" 1 
ATOM   3887 O "O2'" . G   C 2 66  ? 1.877   40.742 17.792 1.00 55.92  ? 65  G   C "O2'" 1 
ATOM   3888 C "C1'" . G   C 2 66  ? -0.377  41.538 17.788 1.00 58.00  ? 65  G   C "C1'" 1 
ATOM   3889 N N9    . G   C 2 66  ? -1.158  42.429 18.670 1.00 57.91  ? 65  G   C N9    1 
ATOM   3890 C C8    . G   C 2 66  ? -1.347  43.781 18.464 1.00 58.98  ? 65  G   C C8    1 
ATOM   3891 N N7    . G   C 2 66  ? -2.074  44.360 19.384 1.00 58.85  ? 65  G   C N7    1 
ATOM   3892 C C5    . G   C 2 66  ? -2.424  43.311 20.228 1.00 57.68  ? 65  G   C C5    1 
ATOM   3893 C C6    . G   C 2 66  ? -3.212  43.312 21.402 1.00 57.68  ? 65  G   C C6    1 
ATOM   3894 O O6    . G   C 2 66  ? -3.776  44.272 21.935 1.00 58.73  ? 65  G   C O6    1 
ATOM   3895 N N1    . G   C 2 66  ? -3.320  42.045 21.975 1.00 57.64  ? 65  G   C N1    1 
ATOM   3896 C C2    . G   C 2 66  ? -2.741  40.900 21.483 1.00 57.12  ? 65  G   C C2    1 
ATOM   3897 N N2    . G   C 2 66  ? -2.959  39.771 22.185 1.00 56.10  ? 65  G   C N2    1 
ATOM   3898 N N3    . G   C 2 66  ? -2.001  40.883 20.385 1.00 56.94  ? 65  G   C N3    1 
ATOM   3899 C C4    . G   C 2 66  ? -1.879  42.110 19.809 1.00 58.15  ? 65  G   C C4    1 
ATOM   3900 P P     . G   C 2 67  ? 1.464   37.395 19.683 1.00 60.33  ? 66  G   C P     1 
ATOM   3901 O OP1   . G   C 2 67  ? 2.817   36.838 19.403 1.00 58.49  ? 66  G   C OP1   1 
ATOM   3902 O OP2   . G   C 2 67  ? 0.362   36.462 20.050 1.00 60.55  ? 66  G   C OP2   1 
ATOM   3903 O "O5'" . G   C 2 67  ? 1.486   38.470 20.856 1.00 58.11  ? 66  G   C "O5'" 1 
ATOM   3904 C "C5'" . G   C 2 67  ? 2.663   38.791 21.578 1.00 55.28  ? 66  G   C "C5'" 1 
ATOM   3905 C "C4'" . G   C 2 67  ? 2.500   40.144 22.218 1.00 52.27  ? 66  G   C "C4'" 1 
ATOM   3906 O "O4'" . G   C 2 67  ? 1.092   40.494 22.200 1.00 54.45  ? 66  G   C "O4'" 1 
ATOM   3907 C "C3'" . G   C 2 67  ? 2.899   40.264 23.679 1.00 48.50  ? 66  G   C "C3'" 1 
ATOM   3908 O "O3'" . G   C 2 67  ? 4.290   40.495 23.844 1.00 48.82  ? 66  G   C "O3'" 1 
ATOM   3909 C "C2'" . G   C 2 67  ? 2.033   41.422 24.155 1.00 49.09  ? 66  G   C "C2'" 1 
ATOM   3910 O "O2'" . G   C 2 67  ? 2.564   42.664 23.712 1.00 49.53  ? 66  G   C "O2'" 1 
ATOM   3911 C "C1'" . G   C 2 67  ? 0.746   41.170 23.382 1.00 51.24  ? 66  G   C "C1'" 1 
ATOM   3912 N N9    . G   C 2 67  ? -0.217  40.324 24.113 1.00 52.00  ? 66  G   C N9    1 
ATOM   3913 C C8    . G   C 2 67  ? -0.488  38.994 23.872 1.00 53.55  ? 66  G   C C8    1 
ATOM   3914 N N7    . G   C 2 67  ? -1.404  38.490 24.666 1.00 51.89  ? 66  G   C N7    1 
ATOM   3915 C C5    . G   C 2 67  ? -1.762  39.554 25.474 1.00 52.23  ? 66  G   C C5    1 
ATOM   3916 C C6    . G   C 2 67  ? -2.704  39.620 26.520 1.00 52.43  ? 66  G   C C6    1 
ATOM   3917 O O6    . G   C 2 67  ? -3.425  38.699 26.934 1.00 52.78  ? 66  G   C O6    1 
ATOM   3918 N N1    . G   C 2 67  ? -2.753  40.903 27.079 1.00 52.46  ? 66  G   C N1    1 
ATOM   3919 C C2    . G   C 2 67  ? -1.995  41.987 26.691 1.00 52.05  ? 66  G   C C2    1 
ATOM   3920 N N2    . G   C 2 67  ? -2.154  43.163 27.318 1.00 51.46  ? 66  G   C N2    1 
ATOM   3921 N N3    . G   C 2 67  ? -1.121  41.922 25.713 1.00 54.79  ? 66  G   C N3    1 
ATOM   3922 C C4    . G   C 2 67  ? -1.055  40.693 25.147 1.00 53.31  ? 66  G   C C4    1 
ATOM   3923 P P     . U   C 2 68  ? 5.122   39.772 25.030 1.00 49.38  ? 67  U   C P     1 
ATOM   3924 O OP1   . U   C 2 68  ? 6.587   40.023 24.870 1.00 46.48  ? 67  U   C OP1   1 
ATOM   3925 O OP2   . U   C 2 68  ? 4.592   38.381 25.114 1.00 48.62  ? 67  U   C OP2   1 
ATOM   3926 O "O5'" . U   C 2 68  ? 4.713   40.568 26.342 1.00 45.69  ? 67  U   C "O5'" 1 
ATOM   3927 C "C5'" . U   C 2 68  ? 4.694   41.987 26.369 1.00 45.92  ? 67  U   C "C5'" 1 
ATOM   3928 C "C4'" . U   C 2 68  ? 3.822   42.464 27.500 1.00 50.93  ? 67  U   C "C4'" 1 
ATOM   3929 O "O4'" . U   C 2 68  ? 2.419   42.176 27.221 1.00 52.00  ? 67  U   C "O4'" 1 
ATOM   3930 C "C3'" . U   C 2 68  ? 4.070   41.764 28.817 1.00 50.78  ? 67  U   C "C3'" 1 
ATOM   3931 O "O3'" . U   C 2 68  ? 5.221   42.243 29.480 1.00 48.62  ? 67  U   C "O3'" 1 
ATOM   3932 C "C2'" . U   C 2 68  ? 2.757   41.989 29.561 1.00 52.07  ? 67  U   C "C2'" 1 
ATOM   3933 O "O2'" . U   C 2 68  ? 2.693   43.319 30.071 1.00 50.09  ? 67  U   C "O2'" 1 
ATOM   3934 C "C1'" . U   C 2 68  ? 1.746   41.852 28.419 1.00 49.60  ? 67  U   C "C1'" 1 
ATOM   3935 N N1    . U   C 2 68  ? 1.184   40.497 28.295 1.00 48.59  ? 67  U   C N1    1 
ATOM   3936 C C2    . U   C 2 68  ? 0.087   40.223 29.055 1.00 53.15  ? 67  U   C C2    1 
ATOM   3937 O O2    . U   C 2 68  ? -0.389  41.054 29.808 1.00 54.67  ? 67  U   C O2    1 
ATOM   3938 N N3    . U   C 2 68  ? -0.420  38.953 28.930 1.00 53.76  ? 67  U   C N3    1 
ATOM   3939 C C4    . U   C 2 68  ? 0.066   37.951 28.119 1.00 52.86  ? 67  U   C C4    1 
ATOM   3940 O O4    . U   C 2 68  ? -0.484  36.848 28.088 1.00 54.00  ? 67  U   C O4    1 
ATOM   3941 C C5    . U   C 2 68  ? 1.213   38.327 27.366 1.00 51.47  ? 67  U   C C5    1 
ATOM   3942 C C6    . U   C 2 68  ? 1.720   39.554 27.478 1.00 49.32  ? 67  U   C C6    1 
ATOM   3943 P P     . A   C 2 69  ? 5.955   41.300 30.538 1.00 44.48  ? 68  A   C P     1 
ATOM   3944 O OP1   . A   C 2 69  ? 7.187   42.002 31.017 1.00 45.12  ? 68  A   C OP1   1 
ATOM   3945 O OP2   . A   C 2 69  ? 6.064   39.951 29.912 1.00 42.40  ? 68  A   C OP2   1 
ATOM   3946 O "O5'" . A   C 2 69  ? 4.886   41.224 31.730 1.00 49.32  ? 68  A   C "O5'" 1 
ATOM   3947 C "C5'" . A   C 2 69  ? 4.517   42.405 32.430 1.00 50.71  ? 68  A   C "C5'" 1 
ATOM   3948 C "C4'" . A   C 2 69  ? 3.599   42.133 33.599 1.00 53.01  ? 68  A   C "C4'" 1 
ATOM   3949 O "O4'" . A   C 2 69  ? 2.246   41.906 33.133 1.00 50.47  ? 68  A   C "O4'" 1 
ATOM   3950 C "C3'" . A   C 2 69  ? 3.915   40.910 34.463 1.00 54.86  ? 68  A   C "C3'" 1 
ATOM   3951 O "O3'" . A   C 2 69  ? 4.937   41.150 35.430 1.00 51.91  ? 68  A   C "O3'" 1 
ATOM   3952 C "C2'" . A   C 2 69  ? 2.555   40.583 35.076 1.00 53.14  ? 68  A   C "C2'" 1 
ATOM   3953 O "O2'" . A   C 2 69  ? 2.256   41.479 36.126 1.00 53.23  ? 68  A   C "O2'" 1 
ATOM   3954 C "C1'" . A   C 2 69  ? 1.624   40.913 33.924 1.00 53.86  ? 68  A   C "C1'" 1 
ATOM   3955 N N9    . A   C 2 69  ? 1.362   39.747 33.065 1.00 59.01  ? 68  A   C N9    1 
ATOM   3956 C C8    . A   C 2 69  ? 2.003   39.396 31.897 1.00 55.87  ? 68  A   C C8    1 
ATOM   3957 N N7    . A   C 2 69  ? 1.516   38.307 31.335 1.00 56.88  ? 68  A   C N7    1 
ATOM   3958 C C5    . A   C 2 69  ? 0.487   37.922 32.188 1.00 59.16  ? 68  A   C C5    1 
ATOM   3959 C C6    . A   C 2 69  ? -0.417  36.844 32.172 1.00 61.57  ? 68  A   C C6    1 
ATOM   3960 N N6    . A   C 2 69  ? -0.434  35.916 31.217 1.00 62.30  ? 68  A   C N6    1 
ATOM   3961 N N1    . A   C 2 69  ? -1.321  36.744 33.175 1.00 62.70  ? 68  A   C N1    1 
ATOM   3962 C C2    . A   C 2 69  ? -1.303  37.678 34.128 1.00 61.69  ? 68  A   C C2    1 
ATOM   3963 N N3    . A   C 2 69  ? -0.492  38.729 34.265 1.00 62.41  ? 68  A   C N3    1 
ATOM   3964 C C4    . A   C 2 69  ? 0.386   38.799 33.254 1.00 61.10  ? 68  A   C C4    1 
ATOM   3965 P P     . C   C 2 70  ? 5.914   39.961 35.916 1.00 48.46  ? 69  C   C P     1 
ATOM   3966 O OP1   . C   C 2 70  ? 6.982   40.597 36.733 1.00 49.57  ? 69  C   C OP1   1 
ATOM   3967 O OP2   . C   C 2 70  ? 6.346   39.156 34.747 1.00 49.15  ? 69  C   C OP2   1 
ATOM   3968 O "O5'" . C   C 2 70  ? 4.971   39.038 36.822 1.00 49.79  ? 69  C   C "O5'" 1 
ATOM   3969 C "C5'" . C   C 2 70  ? 4.748   39.350 38.196 1.00 52.72  ? 69  C   C "C5'" 1 
ATOM   3970 C "C4'" . C   C 2 70  ? 3.508   38.677 38.762 1.00 54.01  ? 69  C   C "C4'" 1 
ATOM   3971 O "O4'" . C   C 2 70  ? 2.410   38.759 37.808 1.00 53.61  ? 69  C   C "O4'" 1 
ATOM   3972 C "C3'" . C   C 2 70  ? 3.617   37.187 39.081 1.00 55.99  ? 69  C   C "C3'" 1 
ATOM   3973 O "O3'" . C   C 2 70  ? 4.195   36.923 40.348 1.00 51.05  ? 69  C   C "O3'" 1 
ATOM   3974 C "C2'" . C   C 2 70  ? 2.173   36.717 39.000 1.00 58.07  ? 69  C   C "C2'" 1 
ATOM   3975 O "O2'" . C   C 2 70  ? 1.496   37.032 40.205 1.00 59.64  ? 69  C   C "O2'" 1 
ATOM   3976 C "C1'" . C   C 2 70  ? 1.623   37.586 37.871 1.00 55.81  ? 69  C   C "C1'" 1 
ATOM   3977 N N1    . C   C 2 70  ? 1.721   36.891 36.568 1.00 60.04  ? 69  C   C N1    1 
ATOM   3978 C C2    . C   C 2 70  ? 0.884   35.801 36.264 1.00 65.40  ? 69  C   C C2    1 
ATOM   3979 O O2    . C   C 2 70  ? 0.046   35.404 37.099 1.00 65.96  ? 69  C   C O2    1 
ATOM   3980 N N3    . C   C 2 70  ? 1.017   35.196 35.046 1.00 67.62  ? 69  C   C N3    1 
ATOM   3981 C C4    . C   C 2 70  ? 1.930   35.630 34.174 1.00 63.86  ? 69  C   C C4    1 
ATOM   3982 N N4    . C   C 2 70  ? 2.045   35.021 32.996 1.00 64.89  ? 69  C   C N4    1 
ATOM   3983 C C5    . C   C 2 70  ? 2.782   36.726 34.466 1.00 59.68  ? 69  C   C C5    1 
ATOM   3984 C C6    . C   C 2 70  ? 2.645   37.310 35.659 1.00 58.50  ? 69  C   C C6    1 
ATOM   3985 P P     . C   C 2 71  ? 4.899   35.499 40.634 1.00 54.51  ? 70  C   C P     1 
ATOM   3986 O OP1   . C   C 2 71  ? 5.544   35.614 41.980 1.00 55.61  ? 70  C   C OP1   1 
ATOM   3987 O OP2   . C   C 2 71  ? 5.739   35.128 39.457 1.00 56.50  ? 70  C   C OP2   1 
ATOM   3988 O "O5'" . C   C 2 71  ? 3.712   34.425 40.611 1.00 59.80  ? 70  C   C "O5'" 1 
ATOM   3989 C "C5'" . C   C 2 71  ? 2.658   34.450 41.553 1.00 62.35  ? 70  C   C "C5'" 1 
ATOM   3990 C "C4'" . C   C 2 71  ? 1.733   33.269 41.378 1.00 67.56  ? 70  C   C "C4'" 1 
ATOM   3991 O "O4'" . C   C 2 71  ? 0.917   33.413 40.182 1.00 68.63  ? 70  C   C "O4'" 1 
ATOM   3992 C "C3'" . C   C 2 71  ? 2.388   31.913 41.199 1.00 69.49  ? 70  C   C "C3'" 1 
ATOM   3993 O "O3'" . C   C 2 71  ? 2.893   31.370 42.400 1.00 71.18  ? 70  C   C "O3'" 1 
ATOM   3994 C "C2'" . C   C 2 71  ? 1.267   31.098 40.562 1.00 73.27  ? 70  C   C "C2'" 1 
ATOM   3995 O "O2'" . C   C 2 71  ? 0.273   30.741 41.506 1.00 75.47  ? 70  C   C "O2'" 1 
ATOM   3996 C "C1'" . C   C 2 71  ? 0.655   32.132 39.624 1.00 73.57  ? 70  C   C "C1'" 1 
ATOM   3997 N N1    . C   C 2 71  ? 1.253   32.049 38.262 1.00 76.66  ? 70  C   C N1    1 
ATOM   3998 C C2    . C   C 2 71  ? 1.063   30.903 37.458 1.00 80.07  ? 70  C   C C2    1 
ATOM   3999 O O2    . C   C 2 71  ? 0.387   29.952 37.886 1.00 84.14  ? 70  C   C O2    1 
ATOM   4000 N N3    . C   C 2 71  ? 1.633   30.842 36.228 1.00 80.86  ? 70  C   C N3    1 
ATOM   4001 C C4    . C   C 2 71  ? 2.366   31.869 35.785 1.00 79.55  ? 70  C   C C4    1 
ATOM   4002 N N4    . C   C 2 71  ? 2.917   31.798 34.568 1.00 80.42  ? 70  C   C N4    1 
ATOM   4003 C C5    . C   C 2 71  ? 2.579   33.032 36.574 1.00 73.51  ? 70  C   C C5    1 
ATOM   4004 C C6    . C   C 2 71  ? 2.013   33.080 37.785 1.00 72.92  ? 70  C   C C6    1 
ATOM   4005 P P     . U   C 2 72  ? 4.391   30.792 42.442 1.00 73.08  ? 71  U   C P     1 
ATOM   4006 O OP1   . U   C 2 72  ? 4.950   30.850 43.834 1.00 69.51  ? 71  U   C OP1   1 
ATOM   4007 O OP2   . U   C 2 72  ? 5.102   31.451 41.310 1.00 72.22  ? 71  U   C OP2   1 
ATOM   4008 O "O5'" . U   C 2 72  ? 4.188   29.260 42.067 1.00 75.38  ? 71  U   C "O5'" 1 
ATOM   4009 C "C5'" . U   C 2 72  ? 3.004   28.582 42.456 1.00 77.73  ? 71  U   C "C5'" 1 
ATOM   4010 C "C4'" . U   C 2 72  ? 2.625   27.530 41.448 1.00 84.07  ? 71  U   C "C4'" 1 
ATOM   4011 O "O4'" . U   C 2 72  ? 2.095   28.142 40.238 1.00 84.98  ? 71  U   C "O4'" 1 
ATOM   4012 C "C3'" . U   C 2 72  ? 3.762   26.660 40.944 1.00 86.83  ? 71  U   C "C3'" 1 
ATOM   4013 O "O3'" . U   C 2 72  ? 4.116   25.641 41.859 1.00 89.90  ? 71  U   C "O3'" 1 
ATOM   4014 C "C2'" . U   C 2 72  ? 3.216   26.137 39.620 1.00 88.45  ? 71  U   C "C2'" 1 
ATOM   4015 O "O2'" . U   C 2 72  ? 2.297   25.078 39.838 1.00 90.12  ? 71  U   C "O2'" 1 
ATOM   4016 C "C1'" . U   C 2 72  ? 2.436   27.353 39.111 1.00 85.56  ? 71  U   C "C1'" 1 
ATOM   4017 N N1    . U   C 2 72  ? 3.237   28.170 38.165 1.00 84.95  ? 71  U   C N1    1 
ATOM   4018 C C2    . U   C 2 72  ? 3.514   27.650 36.908 1.00 89.23  ? 71  U   C C2    1 
ATOM   4019 O O2    . U   C 2 72  ? 3.118   26.555 36.544 1.00 91.88  ? 71  U   C O2    1 
ATOM   4020 N N3    . U   C 2 72  ? 4.275   28.449 36.077 1.00 88.13  ? 71  U   C N3    1 
ATOM   4021 C C4    . U   C 2 72  ? 4.784   29.702 36.361 1.00 85.56  ? 71  U   C C4    1 
ATOM   4022 O O4    . U   C 2 72  ? 5.449   30.313 35.516 1.00 84.97  ? 71  U   C O4    1 
ATOM   4023 C C5    . U   C 2 72  ? 4.457   30.171 37.675 1.00 83.19  ? 71  U   C C5    1 
ATOM   4024 C C6    . U   C 2 72  ? 3.722   29.413 38.507 1.00 82.95  ? 71  U   C C6    1 
ATOM   4025 P P     . U   C 2 73  ? 5.659   25.230 42.043 1.00 95.02  ? 72  U   C P     1 
ATOM   4026 O OP1   . U   C 2 73  ? 5.771   24.455 43.311 1.00 96.14  ? 72  U   C OP1   1 
ATOM   4027 O OP2   . U   C 2 73  ? 6.495   26.443 41.816 1.00 94.92  ? 72  U   C OP2   1 
ATOM   4028 O "O5'" . U   C 2 73  ? 5.943   24.252 40.816 1.00 96.89  ? 72  U   C "O5'" 1 
ATOM   4029 C "C5'" . U   C 2 73  ? 5.111   23.126 40.573 1.00 97.72  ? 72  U   C "C5'" 1 
ATOM   4030 C "C4'" . U   C 2 73  ? 5.223   22.639 39.148 1.00 99.30  ? 72  U   C "C4'" 1 
ATOM   4031 O "O4'" . U   C 2 73  ? 4.820   23.689 38.225 1.00 98.73  ? 72  U   C "O4'" 1 
ATOM   4032 C "C3'" . U   C 2 73  ? 6.614   22.256 38.661 1.00 101.80 ? 72  U   C "C3'" 1 
ATOM   4033 O "O3'" . U   C 2 73  ? 7.050   20.981 39.106 1.00 104.99 ? 72  U   C "O3'" 1 
ATOM   4034 C "C2'" . U   C 2 73  ? 6.456   22.335 37.153 1.00 100.29 ? 72  U   C "C2'" 1 
ATOM   4035 O "O2'" . U   C 2 73  ? 5.770   21.185 36.680 1.00 104.67 ? 72  U   C "O2'" 1 
ATOM   4036 C "C1'" . U   C 2 73  ? 5.532   23.548 37.006 1.00 98.38  ? 72  U   C "C1'" 1 
ATOM   4037 N N1    . U   C 2 73  ? 6.290   24.792 36.696 1.00 94.09  ? 72  U   C N1    1 
ATOM   4038 C C2    . U   C 2 73  ? 6.904   24.889 35.446 1.00 94.78  ? 72  U   C C2    1 
ATOM   4039 O O2    . U   C 2 73  ? 6.850   24.016 34.591 1.00 95.17  ? 72  U   C O2    1 
ATOM   4040 N N3    . U   C 2 73  ? 7.609   26.051 35.205 1.00 92.61  ? 72  U   C N3    1 
ATOM   4041 C C4    . U   C 2 73  ? 7.763   27.125 36.060 1.00 91.50  ? 72  U   C C4    1 
ATOM   4042 O O4    . U   C 2 73  ? 8.422   28.104 35.694 1.00 91.47  ? 72  U   C O4    1 
ATOM   4043 C C5    . U   C 2 73  ? 7.101   26.959 37.322 1.00 92.27  ? 72  U   C C5    1 
ATOM   4044 C C6    . U   C 2 73  ? 6.413   25.835 37.588 1.00 93.29  ? 72  U   C C6    1 
ATOM   4045 P P     . U   C 2 74  ? 8.623   20.698 39.329 1.00 105.83 ? 73  U   C P     1 
ATOM   4046 O OP1   . U   C 2 74  ? 8.777   19.321 39.866 1.00 110.05 ? 73  U   C OP1   1 
ATOM   4047 O OP2   . U   C 2 74  ? 9.213   21.856 40.051 1.00 103.07 ? 73  U   C OP2   1 
ATOM   4048 O "O5'" . U   C 2 74  ? 9.241   20.709 37.860 1.00 108.23 ? 73  U   C "O5'" 1 
ATOM   4049 C "C5'" . U   C 2 74  ? 8.787   19.801 36.863 1.00 109.09 ? 73  U   C "C5'" 1 
ATOM   4050 C "C4'" . U   C 2 74  ? 9.597   19.904 35.590 1.00 106.15 ? 73  U   C "C4'" 1 
ATOM   4051 O "O4'" . U   C 2 74  ? 9.326   21.150 34.897 1.00 101.62 ? 73  U   C "O4'" 1 
ATOM   4052 C "C3'" . U   C 2 74  ? 11.107  19.892 35.753 1.00 104.40 ? 73  U   C "C3'" 1 
ATOM   4053 O "O3'" . U   C 2 74  ? 11.605  18.577 35.967 1.00 112.35 ? 73  U   C "O3'" 1 
ATOM   4054 C "C2'" . U   C 2 74  ? 11.592  20.543 34.457 1.00 100.49 ? 73  U   C "C2'" 1 
ATOM   4055 O "O2'" . U   C 2 74  ? 11.649  19.588 33.410 1.00 101.91 ? 73  U   C "O2'" 1 
ATOM   4056 C "C1'" . U   C 2 74  ? 10.457  21.529 34.143 1.00 98.49  ? 73  U   C "C1'" 1 
ATOM   4057 N N1    . U   C 2 74  ? 10.803  22.951 34.413 1.00 95.08  ? 73  U   C N1    1 
ATOM   4058 C C2    . U   C 2 74  ? 11.461  23.635 33.397 1.00 90.92  ? 73  U   C C2    1 
ATOM   4059 O O2    . U   C 2 74  ? 11.763  23.116 32.338 1.00 89.60  ? 73  U   C O2    1 
ATOM   4060 N N3    . U   C 2 74  ? 11.767  24.952 33.653 1.00 87.71  ? 73  U   C N3    1 
ATOM   4061 C C4    . U   C 2 74  ? 11.484  25.655 34.809 1.00 88.35  ? 73  U   C C4    1 
ATOM   4062 O O4    . U   C 2 74  ? 11.828  26.841 34.891 1.00 85.33  ? 73  U   C O4    1 
ATOM   4063 C C5    . U   C 2 74  ? 10.793  24.890 35.813 1.00 91.00  ? 73  U   C C5    1 
ATOM   4064 C C6    . U   C 2 74  ? 10.483  23.601 35.588 1.00 94.17  ? 73  U   C C6    1 
ATOM   4065 P P     . G   C 2 75  ? 13.137  18.319 36.386 1.00 106.27 ? 74  G   C P     1 
ATOM   4066 O OP1   . G   C 2 75  ? 13.268  16.908 36.835 1.00 112.75 ? 74  G   C OP1   1 
ATOM   4067 O OP2   . G   C 2 75  ? 13.541  19.398 37.327 1.00 106.47 ? 74  G   C OP2   1 
ATOM   4068 O "O5'" . G   C 2 75  ? 13.919  18.466 35.001 1.00 104.57 ? 74  G   C "O5'" 1 
ATOM   4069 C "C5'" . G   C 2 75  ? 15.263  18.917 34.948 1.00 102.67 ? 74  G   C "C5'" 1 
ATOM   4070 C "C4'" . G   C 2 75  ? 15.579  19.600 33.639 1.00 98.88  ? 74  G   C "C4'" 1 
ATOM   4071 O "O4'" . G   C 2 75  ? 14.610  20.644 33.378 1.00 97.15  ? 74  G   C "O4'" 1 
ATOM   4072 C "C3'" . G   C 2 75  ? 16.923  20.304 33.601 1.00 98.64  ? 74  G   C "C3'" 1 
ATOM   4073 O "O3'" . G   C 2 75  ? 17.969  19.416 33.262 1.00 103.13 ? 74  G   C "O3'" 1 
ATOM   4074 C "C2'" . G   C 2 75  ? 16.713  21.431 32.592 1.00 96.15  ? 74  G   C "C2'" 1 
ATOM   4075 O "O2'" . G   C 2 75  ? 16.901  20.973 31.258 1.00 97.68  ? 74  G   C "O2'" 1 
ATOM   4076 C "C1'" . G   C 2 75  ? 15.236  21.764 32.794 1.00 93.42  ? 74  G   C "C1'" 1 
ATOM   4077 N N9    . G   C 2 75  ? 15.001  22.928 33.673 1.00 89.89  ? 74  G   C N9    1 
ATOM   4078 C C8    . G   C 2 75  ? 14.360  22.879 34.886 1.00 89.83  ? 74  G   C C8    1 
ATOM   4079 N N7    . G   C 2 75  ? 14.240  24.042 35.455 1.00 86.45  ? 74  G   C N7    1 
ATOM   4080 C C5    . G   C 2 75  ? 14.825  24.926 34.563 1.00 84.68  ? 74  G   C C5    1 
ATOM   4081 C C6    . G   C 2 75  ? 14.986  26.337 34.652 1.00 80.71  ? 74  G   C C6    1 
ATOM   4082 O O6    . G   C 2 75  ? 14.640  27.116 35.556 1.00 79.56  ? 74  G   C O6    1 
ATOM   4083 N N1    . G   C 2 75  ? 15.637  26.835 33.528 1.00 78.90  ? 74  G   C N1    1 
ATOM   4084 C C2    . G   C 2 75  ? 16.068  26.080 32.459 1.00 79.23  ? 74  G   C C2    1 
ATOM   4085 N N2    . G   C 2 75  ? 16.673  26.755 31.475 1.00 76.53  ? 74  G   C N2    1 
ATOM   4086 N N3    . G   C 2 75  ? 15.925  24.765 32.365 1.00 82.80  ? 74  G   C N3    1 
ATOM   4087 C C4    . G   C 2 75  ? 15.295  24.255 33.446 1.00 85.97  ? 74  G   C C4    1 
ATOM   4088 P P     . U   C 2 76  ? 19.223  19.260 34.245 1.00 110.71 ? 75  U   C P     1 
ATOM   4089 O OP1   . U   C 2 76  ? 19.831  17.916 34.025 1.00 115.50 ? 75  U   C OP1   1 
ATOM   4090 O OP2   . U   C 2 76  ? 18.749  19.643 35.609 1.00 107.52 ? 75  U   C OP2   1 
ATOM   4091 O "O5'" . U   C 2 76  ? 20.248  20.359 33.700 1.00 97.99  ? 75  U   C "O5'" 1 
ATOM   4092 C "C5'" . U   C 2 76  ? 20.566  20.429 32.320 1.00 92.33  ? 75  U   C "C5'" 1 
ATOM   4093 C "C4'" . U   C 2 76  ? 20.909  21.833 31.899 1.00 85.75  ? 75  U   C "C4'" 1 
ATOM   4094 O "O4'" . U   C 2 76  ? 19.723  22.664 31.890 1.00 83.67  ? 75  U   C "O4'" 1 
ATOM   4095 C "C3'" . U   C 2 76  ? 21.862  22.602 32.790 1.00 80.27  ? 75  U   C "C3'" 1 
ATOM   4096 O "O3'" . U   C 2 76  ? 23.211  22.197 32.665 1.00 78.72  ? 75  U   C "O3'" 1 
ATOM   4097 C "C2'" . U   C 2 76  ? 21.600  24.041 32.362 1.00 79.26  ? 75  U   C "C2'" 1 
ATOM   4098 O "O2'" . U   C 2 76  ? 22.224  24.326 31.116 1.00 80.12  ? 75  U   C "O2'" 1 
ATOM   4099 C "C1'" . U   C 2 76  ? 20.088  24.008 32.138 1.00 79.89  ? 75  U   C "C1'" 1 
ATOM   4100 N N1    . U   C 2 76  ? 19.352  24.501 33.319 1.00 79.37  ? 75  U   C N1    1 
ATOM   4101 C C2    . U   C 2 76  ? 19.242  25.874 33.474 1.00 76.47  ? 75  U   C C2    1 
ATOM   4102 O O2    . U   C 2 76  ? 19.725  26.653 32.652 1.00 75.22  ? 75  U   C O2    1 
ATOM   4103 N N3    . U   C 2 76  ? 18.547  26.274 34.606 1.00 74.68  ? 75  U   C N3    1 
ATOM   4104 C C4    . U   C 2 76  ? 17.972  25.452 35.564 1.00 77.15  ? 75  U   C C4    1 
ATOM   4105 O O4    . U   C 2 76  ? 17.370  25.926 36.533 1.00 76.01  ? 75  U   C O4    1 
ATOM   4106 C C5    . U   C 2 76  ? 18.141  24.052 35.322 1.00 83.05  ? 75  U   C C5    1 
ATOM   4107 C C6    . U   C 2 76  ? 18.811  23.637 34.237 1.00 84.06  ? 75  U   C C6    1 
ATOM   4108 P P     . G   C 2 77  ? 24.238  22.483 33.867 1.00 85.16  ? 76  G   C P     1 
ATOM   4109 O OP1   . G   C 2 77  ? 25.478  21.687 33.653 1.00 83.15  ? 76  G   C OP1   1 
ATOM   4110 O OP2   . G   C 2 77  ? 23.483  22.321 35.130 1.00 81.46  ? 76  G   C OP2   1 
ATOM   4111 O "O5'" . G   C 2 77  ? 24.602  24.029 33.703 1.00 79.09  ? 76  G   C "O5'" 1 
ATOM   4112 C "C5'" . G   C 2 77  ? 25.151  24.528 32.492 1.00 76.02  ? 76  G   C "C5'" 1 
ATOM   4113 C "C4'" . G   C 2 77  ? 25.246  26.029 32.519 1.00 73.91  ? 76  G   C "C4'" 1 
ATOM   4114 O "O4'" . G   C 2 77  ? 23.919  26.603 32.475 1.00 74.14  ? 76  G   C "O4'" 1 
ATOM   4115 C "C3'" . G   C 2 77  ? 25.856  26.609 33.779 1.00 71.17  ? 76  G   C "C3'" 1 
ATOM   4116 O "O3'" . G   C 2 77  ? 27.255  26.601 33.753 1.00 72.33  ? 76  G   C "O3'" 1 
ATOM   4117 C "C2'" . G   C 2 77  ? 25.266  28.002 33.841 1.00 72.02  ? 76  G   C "C2'" 1 
ATOM   4118 O "O2'" . G   C 2 77  ? 25.960  28.898 32.985 1.00 75.36  ? 76  G   C "O2'" 1 
ATOM   4119 C "C1'" . G   C 2 77  ? 23.864  27.750 33.294 1.00 72.07  ? 76  G   C "C1'" 1 
ATOM   4120 N N9    . G   C 2 77  ? 22.939  27.474 34.396 1.00 69.10  ? 76  G   C N9    1 
ATOM   4121 C C8    . G   C 2 77  ? 22.497  26.266 34.875 1.00 71.28  ? 76  G   C C8    1 
ATOM   4122 N N7    . G   C 2 77  ? 21.694  26.406 35.893 1.00 69.15  ? 76  G   C N7    1 
ATOM   4123 C C5    . G   C 2 77  ? 21.628  27.783 36.083 1.00 67.09  ? 76  G   C C5    1 
ATOM   4124 C C6    . G   C 2 77  ? 20.919  28.560 37.028 1.00 67.64  ? 76  G   C C6    1 
ATOM   4125 O O6    . G   C 2 77  ? 20.175  28.169 37.944 1.00 69.08  ? 76  G   C O6    1 
ATOM   4126 N N1    . G   C 2 77  ? 21.159  29.918 36.842 1.00 64.94  ? 76  G   C N1    1 
ATOM   4127 C C2    . G   C 2 77  ? 21.957  30.485 35.885 1.00 65.46  ? 76  G   C C2    1 
ATOM   4128 N N2    . G   C 2 77  ? 22.050  31.824 35.870 1.00 65.37  ? 76  G   C N2    1 
ATOM   4129 N N3    . G   C 2 77  ? 22.619  29.772 34.996 1.00 67.20  ? 76  G   C N3    1 
ATOM   4130 C C4    . G   C 2 77  ? 22.401  28.452 35.169 1.00 67.38  ? 76  G   C C4    1 
ATOM   4131 P P     . C   C 2 78  ? 28.006  26.051 35.039 1.00 77.72  ? 77  C   C P     1 
ATOM   4132 O OP1   . C   C 2 78  ? 29.417  25.776 34.633 1.00 76.39  ? 77  C   C OP1   1 
ATOM   4133 O OP2   . C   C 2 78  ? 27.129  24.956 35.556 1.00 75.13  ? 77  C   C OP2   1 
ATOM   4134 O "O5'" . C   C 2 78  ? 27.931  27.281 36.059 1.00 71.08  ? 77  C   C "O5'" 1 
ATOM   4135 C "C5'" . C   C 2 78  ? 28.721  28.433 35.820 1.00 70.91  ? 77  C   C "C5'" 1 
ATOM   4136 C "C4'" . C   C 2 78  ? 28.100  29.702 36.344 1.00 69.67  ? 77  C   C "C4'" 1 
ATOM   4137 O "O4'" . C   C 2 78  ? 26.702  29.804 35.971 1.00 71.72  ? 77  C   C "O4'" 1 
ATOM   4138 C "C3'" . C   C 2 78  ? 28.063  29.896 37.840 1.00 64.92  ? 77  C   C "C3'" 1 
ATOM   4139 O "O3'" . C   C 2 78  ? 29.311  30.200 38.404 1.00 65.61  ? 77  C   C "O3'" 1 
ATOM   4140 C "C2'" . C   C 2 78  ? 27.052  31.013 37.967 1.00 65.24  ? 77  C   C "C2'" 1 
ATOM   4141 O "O2'" . C   C 2 78  ? 27.605  32.232 37.497 1.00 68.01  ? 77  C   C "O2'" 1 
ATOM   4142 C "C1'" . C   C 2 78  ? 26.011  30.543 36.963 1.00 67.55  ? 77  C   C "C1'" 1 
ATOM   4143 N N1    . C   C 2 78  ? 25.066  29.638 37.633 1.00 65.37  ? 77  C   C N1    1 
ATOM   4144 C C2    . C   C 2 78  ? 24.120  30.207 38.488 1.00 64.50  ? 77  C   C C2    1 
ATOM   4145 O O2    . C   C 2 78  ? 24.099  31.442 38.630 1.00 63.69  ? 77  C   C O2    1 
ATOM   4146 N N3    . C   C 2 78  ? 23.256  29.384 39.125 1.00 63.12  ? 77  C   C N3    1 
ATOM   4147 C C4    . C   C 2 78  ? 23.332  28.061 38.937 1.00 64.90  ? 77  C   C C4    1 
ATOM   4148 N N4    . C   C 2 78  ? 22.461  27.278 39.576 1.00 64.95  ? 77  C   C N4    1 
ATOM   4149 C C5    . C   C 2 78  ? 24.298  27.463 38.077 1.00 66.35  ? 77  C   C C5    1 
ATOM   4150 C C6    . C   C 2 78  ? 25.146  28.284 37.452 1.00 66.50  ? 77  C   C C6    1 
ATOM   4151 P P     . G   C 2 79  ? 29.776  29.392 39.703 1.00 64.43  ? 78  G   C P     1 
ATOM   4152 O OP1   . G   C 2 79  ? 31.265  29.452 39.797 1.00 66.23  ? 78  G   C OP1   1 
ATOM   4153 O OP2   . G   C 2 79  ? 29.112  28.056 39.698 1.00 63.29  ? 78  G   C OP2   1 
ATOM   4154 O "O5'" . G   C 2 79  ? 29.129  30.237 40.886 1.00 63.74  ? 78  G   C "O5'" 1 
ATOM   4155 C "C5'" . G   C 2 79  ? 28.949  31.642 40.783 1.00 62.61  ? 78  G   C "C5'" 1 
ATOM   4156 C "C4'" . G   C 2 79  ? 27.869  32.095 41.729 1.00 65.90  ? 78  G   C "C4'" 1 
ATOM   4157 O "O4'" . G   C 2 79  ? 26.559  31.705 41.220 1.00 67.64  ? 78  G   C "O4'" 1 
ATOM   4158 C "C3'" . G   C 2 79  ? 27.907  31.465 43.111 1.00 68.51  ? 78  G   C "C3'" 1 
ATOM   4159 O "O3'" . G   C 2 79  ? 28.893  32.018 43.976 1.00 68.26  ? 78  G   C "O3'" 1 
ATOM   4160 C "C2'" . G   C 2 79  ? 26.466  31.642 43.572 1.00 68.22  ? 78  G   C "C2'" 1 
ATOM   4161 O "O2'" . G   C 2 79  ? 26.194  33.005 43.842 1.00 70.67  ? 78  G   C "O2'" 1 
ATOM   4162 C "C1'" . G   C 2 79  ? 25.724  31.310 42.293 1.00 64.75  ? 78  G   C "C1'" 1 
ATOM   4163 N N9    . G   C 2 79  ? 25.456  29.861 42.198 1.00 65.29  ? 78  G   C N9    1 
ATOM   4164 C C8    . G   C 2 79  ? 26.063  28.934 41.382 1.00 66.88  ? 78  G   C C8    1 
ATOM   4165 N N7    . G   C 2 79  ? 25.609  27.717 41.534 1.00 67.14  ? 78  G   C N7    1 
ATOM   4166 C C5    . G   C 2 79  ? 24.645  27.842 42.520 1.00 68.59  ? 78  G   C C5    1 
ATOM   4167 C C6    . G   C 2 79  ? 23.807  26.854 43.109 1.00 72.86  ? 78  G   C C6    1 
ATOM   4168 O O6    . G   C 2 79  ? 23.760  25.638 42.866 1.00 74.86  ? 78  G   C O6    1 
ATOM   4169 N N1    . G   C 2 79  ? 22.960  27.411 44.080 1.00 73.81  ? 78  G   C N1    1 
ATOM   4170 C C2    . G   C 2 79  ? 22.934  28.747 44.436 1.00 69.69  ? 78  G   C C2    1 
ATOM   4171 N N2    . G   C 2 79  ? 22.059  29.101 45.388 1.00 67.95  ? 78  G   C N2    1 
ATOM   4172 N N3    . G   C 2 79  ? 23.716  29.675 43.890 1.00 67.15  ? 78  G   C N3    1 
ATOM   4173 C C4    . G   C 2 79  ? 24.541  29.157 42.945 1.00 67.66  ? 78  G   C C4    1 
ATOM   4174 P P     . C   C 2 80  ? 29.833  31.042 44.851 1.00 67.49  ? 79  C   C P     1 
ATOM   4175 O OP1   . C   C 2 80  ? 30.823  31.891 45.560 1.00 65.29  ? 79  C   C OP1   1 
ATOM   4176 O OP2   . C   C 2 80  ? 30.304  29.875 44.049 1.00 64.72  ? 79  C   C OP2   1 
ATOM   4177 O "O5'" . C   C 2 80  ? 28.838  30.475 45.955 1.00 72.26  ? 79  C   C "O5'" 1 
ATOM   4178 C "C5'" . C   C 2 80  ? 28.096  31.374 46.763 1.00 71.12  ? 79  C   C "C5'" 1 
ATOM   4179 C "C4'" . C   C 2 80  ? 26.976  30.700 47.520 1.00 71.06  ? 79  C   C "C4'" 1 
ATOM   4180 O "O4'" . C   C 2 80  ? 26.037  30.051 46.619 1.00 70.70  ? 79  C   C "O4'" 1 
ATOM   4181 C "C3'" . C   C 2 80  ? 27.362  29.605 48.494 1.00 75.16  ? 79  C   C "C3'" 1 
ATOM   4182 O "O3'" . C   C 2 80  ? 27.892  30.130 49.698 1.00 80.11  ? 79  C   C "O3'" 1 
ATOM   4183 C "C2'" . C   C 2 80  ? 26.040  28.872 48.681 1.00 77.00  ? 79  C   C "C2'" 1 
ATOM   4184 O "O2'" . C   C 2 80  ? 25.180  29.617 49.535 1.00 75.70  ? 79  C   C "O2'" 1 
ATOM   4185 C "C1'" . C   C 2 80  ? 25.461  28.932 47.265 1.00 72.42  ? 79  C   C "C1'" 1 
ATOM   4186 N N1    . C   C 2 80  ? 25.748  27.705 46.477 1.00 74.63  ? 79  C   C N1    1 
ATOM   4187 C C2    . C   C 2 80  ? 25.087  26.503 46.800 1.00 80.32  ? 79  C   C C2    1 
ATOM   4188 O O2    . C   C 2 80  ? 24.290  26.497 47.751 1.00 81.67  ? 79  C   C O2    1 
ATOM   4189 N N3    . C   C 2 80  ? 25.344  25.386 46.067 1.00 83.41  ? 79  C   C N3    1 
ATOM   4190 C C4    . C   C 2 80  ? 26.214  25.433 45.039 1.00 82.60  ? 79  C   C C4    1 
ATOM   4191 N N4    . C   C 2 80  ? 26.438  24.309 44.340 1.00 83.59  ? 79  C   C N4    1 
ATOM   4192 C C5    . C   C 2 80  ? 26.898  26.643 44.686 1.00 75.41  ? 79  C   C C5    1 
ATOM   4193 C C6    . C   C 2 80  ? 26.633  27.737 45.423 1.00 73.41  ? 79  C   C C6    1 
ATOM   4194 P P     . C   C 2 81  ? 28.820  29.241 50.670 1.00 83.89  ? 80  C   C P     1 
ATOM   4195 O OP1   . C   C 2 81  ? 29.189  30.146 51.790 1.00 76.67  ? 80  C   C OP1   1 
ATOM   4196 O OP2   . C   C 2 81  ? 29.887  28.569 49.887 1.00 80.00  ? 80  C   C OP2   1 
ATOM   4197 O "O5'" . C   C 2 81  ? 27.849  28.091 51.196 1.00 86.43  ? 80  C   C "O5'" 1 
ATOM   4198 C "C5'" . C   C 2 81  ? 26.759  28.371 52.064 1.00 86.70  ? 80  C   C "C5'" 1 
ATOM   4199 C "C4'" . C   C 2 81  ? 26.171  27.093 52.600 1.00 90.75  ? 80  C   C "C4'" 1 
ATOM   4200 O "O4'" . C   C 2 81  ? 25.467  26.382 51.548 1.00 91.82  ? 80  C   C "O4'" 1 
ATOM   4201 C "C3'" . C   C 2 81  ? 27.188  26.082 53.091 1.00 96.66  ? 80  C   C "C3'" 1 
ATOM   4202 O "O3'" . C   C 2 81  ? 27.695  26.383 54.371 1.00 98.17  ? 80  C   C "O3'" 1 
ATOM   4203 C "C2'" . C   C 2 81  ? 26.419  24.770 53.012 1.00 101.37 ? 80  C   C "C2'" 1 
ATOM   4204 O "O2'" . C   C 2 81  ? 25.514  24.645 54.103 1.00 102.07 ? 80  C   C "O2'" 1 
ATOM   4205 C "C1'" . C   C 2 81  ? 25.608  24.984 51.736 1.00 97.27  ? 80  C   C "C1'" 1 
ATOM   4206 N N1    . C   C 2 81  ? 26.247  24.390 50.533 1.00 98.25  ? 80  C   C N1    1 
ATOM   4207 C C2    . C   C 2 81  ? 26.012  23.033 50.240 1.00 107.02 ? 80  C   C C2    1 
ATOM   4208 O O2    . C   C 2 81  ? 25.295  22.349 50.996 1.00 108.58 ? 80  C   C O2    1 
ATOM   4209 N N3    . C   C 2 81  ? 26.574  22.489 49.130 1.00 110.89 ? 80  C   C N3    1 
ATOM   4210 C C4    . C   C 2 81  ? 27.339  23.228 48.323 1.00 104.17 ? 80  C   C C4    1 
ATOM   4211 N N4    . C   C 2 81  ? 27.861  22.631 47.247 1.00 103.20 ? 80  C   C N4    1 
ATOM   4212 C C5    . C   C 2 81  ? 27.594  24.607 48.597 1.00 95.56  ? 80  C   C C5    1 
ATOM   4213 C C6    . C   C 2 81  ? 27.034  25.141 49.695 1.00 93.84  ? 80  C   C C6    1 
ATOM   4214 P P     . U   C 2 82  ? 28.839  25.463 55.010 1.00 111.00 ? 81  U   C P     1 
ATOM   4215 O OP1   . U   C 2 82  ? 29.499  26.316 56.021 1.00 112.24 ? 81  U   C OP1   1 
ATOM   4216 O OP2   . U   C 2 82  ? 29.655  24.789 53.981 1.00 110.16 ? 81  U   C OP2   1 
ATOM   4217 O "O5'" . U   C 2 82  ? 28.019  24.304 55.723 1.00 110.38 ? 81  U   C "O5'" 1 
ATOM   4218 C "C5'" . U   C 2 82  ? 28.700  23.228 56.339 1.00 115.32 ? 81  U   C "C5'" 1 
ATOM   4219 C "C4'" . U   C 2 82  ? 28.019  21.910 56.088 1.00 117.51 ? 81  U   C "C4'" 1 
ATOM   4220 O "O4'" . U   C 2 82  ? 27.289  21.944 54.835 1.00 113.79 ? 81  U   C "O4'" 1 
ATOM   4221 C "C3'" . U   C 2 82  ? 28.955  20.729 55.926 1.00 124.21 ? 81  U   C "C3'" 1 
ATOM   4222 O "O3'" . U   C 2 82  ? 29.469  20.253 57.155 1.00 125.18 ? 81  U   C "O3'" 1 
ATOM   4223 C "C2'" . U   C 2 82  ? 28.096  19.735 55.159 1.00 124.21 ? 81  U   C "C2'" 1 
ATOM   4224 O "O2'" . U   C 2 82  ? 27.144  19.119 56.014 1.00 123.39 ? 81  U   C "O2'" 1 
ATOM   4225 C "C1'" . U   C 2 82  ? 27.347  20.675 54.215 1.00 118.15 ? 81  U   C "C1'" 1 
ATOM   4226 N N1    . U   C 2 82  ? 28.042  20.821 52.917 1.00 120.55 ? 81  U   C N1    1 
ATOM   4227 C C2    . U   C 2 82  ? 27.981  19.759 52.030 1.00 130.26 ? 81  U   C C2    1 
ATOM   4228 O O2    . U   C 2 82  ? 27.387  18.721 52.295 1.00 133.53 ? 81  U   C O2    1 
ATOM   4229 N N3    . U   C 2 82  ? 28.643  19.960 50.831 1.00 129.87 ? 81  U   C N3    1 
ATOM   4230 C C4    . U   C 2 82  ? 29.341  21.089 50.438 1.00 121.06 ? 81  U   C C4    1 
ATOM   4231 O O4    . U   C 2 82  ? 29.889  21.124 49.337 1.00 122.97 ? 81  U   C O4    1 
ATOM   4232 C C5    . U   C 2 82  ? 29.349  22.140 51.407 1.00 114.06 ? 81  U   C C5    1 
ATOM   4233 C C6    . U   C 2 82  ? 28.718  21.975 52.584 1.00 115.84 ? 81  U   C C6    1 
ATOM   4234 P P     . G   C 2 83  ? 31.044  19.988 57.301 1.00 129.70 ? 82  G   C P     1 
ATOM   4235 O OP1   . G   C 2 83  ? 31.325  20.018 58.757 1.00 131.94 ? 82  G   C OP1   1 
ATOM   4236 O OP2   . G   C 2 83  ? 31.806  20.883 56.389 1.00 122.22 ? 82  G   C OP2   1 
ATOM   4237 O "O5'" . G   C 2 83  ? 31.210  18.496 56.762 1.00 137.09 ? 82  G   C "O5'" 1 
ATOM   4238 C "C5'" . G   C 2 83  ? 30.289  17.486 57.155 1.00 140.25 ? 82  G   C "C5'" 1 
ATOM   4239 C "C4'" . G   C 2 83  ? 30.577  16.166 56.484 1.00 143.88 ? 82  G   C "C4'" 1 
ATOM   4240 O "O4'" . G   C 2 83  ? 29.903  16.100 55.201 1.00 144.54 ? 82  G   C "O4'" 1 
ATOM   4241 C "C3'" . G   C 2 83  ? 32.036  15.893 56.160 1.00 149.15 ? 82  G   C "C3'" 1 
ATOM   4242 O "O3'" . G   C 2 83  ? 32.755  15.405 57.283 1.00 151.53 ? 82  G   C "O3'" 1 
ATOM   4243 C "C2'" . G   C 2 83  ? 31.946  14.905 54.999 1.00 149.68 ? 82  G   C "C2'" 1 
ATOM   4244 O "O2'" . G   C 2 83  ? 31.686  13.588 55.468 1.00 148.57 ? 82  G   C "O2'" 1 
ATOM   4245 C "C1'" . G   C 2 83  ? 30.703  15.406 54.266 1.00 148.35 ? 82  G   C "C1'" 1 
ATOM   4246 N N9    . G   C 2 83  ? 31.012  16.340 53.168 1.00 146.77 ? 82  G   C N9    1 
ATOM   4247 C C8    . G   C 2 83  ? 30.750  17.682 53.239 1.00 141.47 ? 82  G   C C8    1 
ATOM   4248 N N7    . G   C 2 83  ? 31.073  18.325 52.158 1.00 143.16 ? 82  G   C N7    1 
ATOM   4249 C C5    . G   C 2 83  ? 31.568  17.348 51.306 1.00 149.07 ? 82  G   C C5    1 
ATOM   4250 C C6    . G   C 2 83  ? 32.076  17.480 49.985 1.00 151.44 ? 82  G   C C6    1 
ATOM   4251 O O6    . G   C 2 83  ? 32.172  18.515 49.308 1.00 150.74 ? 82  G   C O6    1 
ATOM   4252 N N1    . G   C 2 83  ? 32.485  16.255 49.468 1.00 153.54 ? 82  G   C N1    1 
ATOM   4253 C C2    . G   C 2 83  ? 32.416  15.055 50.139 1.00 154.06 ? 82  G   C C2    1 
ATOM   4254 N N2    . G   C 2 83  ? 32.862  13.978 49.470 1.00 155.44 ? 82  G   C N2    1 
ATOM   4255 N N3    . G   C 2 83  ? 31.944  14.924 51.380 1.00 153.45 ? 82  G   C N3    1 
ATOM   4256 C C4    . G   C 2 83  ? 31.537  16.104 51.908 1.00 150.41 ? 82  G   C C4    1 
ATOM   4257 P P     . U   C 2 84  ? 34.202  16.004 57.655 1.00 154.26 ? 83  U   C P     1 
ATOM   4258 O OP1   . U   C 2 84  ? 34.553  15.538 59.023 1.00 156.06 ? 83  U   C OP1   1 
ATOM   4259 O OP2   . U   C 2 84  ? 34.189  17.462 57.371 1.00 150.46 ? 83  U   C OP2   1 
ATOM   4260 O "O5'" . U   C 2 84  ? 35.180  15.294 56.615 1.00 158.62 ? 83  U   C "O5'" 1 
ATOM   4261 C "C5'" . U   C 2 84  ? 35.129  13.886 56.426 1.00 160.59 ? 83  U   C "C5'" 1 
ATOM   4262 C "C4'" . U   C 2 84  ? 35.648  13.469 55.070 1.00 162.23 ? 83  U   C "C4'" 1 
ATOM   4263 O "O4'" . U   C 2 84  ? 34.738  13.884 54.019 1.00 159.08 ? 83  U   C "O4'" 1 
ATOM   4264 C "C3'" . U   C 2 84  ? 36.981  14.059 54.648 1.00 167.95 ? 83  U   C "C3'" 1 
ATOM   4265 O "O3'" . U   C 2 84  ? 38.088  13.427 55.264 1.00 173.26 ? 83  U   C "O3'" 1 
ATOM   4266 C "C2'" . U   C 2 84  ? 36.941  13.901 53.132 1.00 166.56 ? 83  U   C "C2'" 1 
ATOM   4267 O "O2'" . U   C 2 84  ? 37.215  12.558 52.757 1.00 165.68 ? 83  U   C "O2'" 1 
ATOM   4268 C "C1'" . U   C 2 84  ? 35.468  14.176 52.843 1.00 161.19 ? 83  U   C "C1'" 1 
ATOM   4269 N N1    . U   C 2 84  ? 35.206  15.580 52.449 1.00 161.28 ? 83  U   C N1    1 
ATOM   4270 C C2    . U   C 2 84  ? 35.586  15.995 51.182 1.00 162.74 ? 83  U   C C2    1 
ATOM   4271 O O2    . U   C 2 84  ? 36.154  15.268 50.383 1.00 162.17 ? 83  U   C O2    1 
ATOM   4272 N N3    . U   C 2 84  ? 35.282  17.305 50.888 1.00 161.99 ? 83  U   C N3    1 
ATOM   4273 C C4    . U   C 2 84  ? 34.646  18.222 51.706 1.00 160.37 ? 83  U   C C4    1 
ATOM   4274 O O4    . U   C 2 84  ? 34.437  19.368 51.299 1.00 159.25 ? 83  U   C O4    1 
ATOM   4275 C C5    . U   C 2 84  ? 34.278  17.712 52.993 1.00 158.70 ? 83  U   C C5    1 
ATOM   4276 C C6    . U   C 2 84  ? 34.560  16.442 53.307 1.00 159.06 ? 83  U   C C6    1 
ATOM   4277 P P     . U   C 2 85  ? 39.259  14.315 55.918 1.00 175.93 ? 84  U   C P     1 
ATOM   4278 O OP1   . U   C 2 85  ? 39.943  13.512 56.970 1.00 175.01 ? 84  U   C OP1   1 
ATOM   4279 O OP2   . U   C 2 85  ? 38.657  15.630 56.267 1.00 173.09 ? 84  U   C OP2   1 
ATOM   4280 O "O5'" . U   C 2 85  ? 40.278  14.537 54.714 1.00 175.32 ? 84  U   C "O5'" 1 
ATOM   4281 C "C5'" . U   C 2 85  ? 40.650  13.451 53.881 1.00 177.26 ? 84  U   C "C5'" 1 
ATOM   4282 C "C4'" . U   C 2 85  ? 40.902  13.887 52.458 1.00 178.12 ? 84  U   C "C4'" 1 
ATOM   4283 O "O4'" . U   C 2 85  ? 39.734  14.548 51.915 1.00 177.00 ? 84  U   C "O4'" 1 
ATOM   4284 C "C3'" . U   C 2 85  ? 42.026  14.888 52.245 1.00 180.21 ? 84  U   C "C3'" 1 
ATOM   4285 O "O3'" . U   C 2 85  ? 43.301  14.257 52.234 1.00 181.20 ? 84  U   C "O3'" 1 
ATOM   4286 C "C2'" . U   C 2 85  ? 41.661  15.534 50.908 1.00 179.56 ? 84  U   C "C2'" 1 
ATOM   4287 O "O2'" . U   C 2 85  ? 42.151  14.754 49.829 1.00 181.68 ? 84  U   C "O2'" 1 
ATOM   4288 C "C1'" . U   C 2 85  ? 40.125  15.452 50.906 1.00 177.76 ? 84  U   C "C1'" 1 
ATOM   4289 N N1    . U   C 2 85  ? 39.440  16.763 51.083 1.00 176.67 ? 84  U   C N1    1 
ATOM   4290 C C2    . U   C 2 85  ? 39.457  17.639 50.007 1.00 177.47 ? 84  U   C C2    1 
ATOM   4291 O O2    . U   C 2 85  ? 40.024  17.386 48.960 1.00 179.50 ? 84  U   C O2    1 
ATOM   4292 N N3    . U   C 2 85  ? 38.807  18.840 50.181 1.00 177.21 ? 84  U   C N3    1 
ATOM   4293 C C4    . U   C 2 85  ? 38.130  19.250 51.310 1.00 175.41 ? 84  U   C C4    1 
ATOM   4294 O O4    . U   C 2 85  ? 37.589  20.361 51.324 1.00 175.79 ? 84  U   C O4    1 
ATOM   4295 C C5    . U   C 2 85  ? 38.139  18.292 52.377 1.00 173.65 ? 84  U   C C5    1 
ATOM   4296 C C6    . U   C 2 85  ? 38.767  17.113 52.233 1.00 174.94 ? 84  U   C C6    1 
ATOM   4297 P P     . U   C 2 86  ? 44.628  15.025 52.729 1.00 178.08 ? 85  U   C P     1 
ATOM   4298 O OP1   . U   C 2 86  ? 45.650  13.986 53.023 1.00 174.73 ? 85  U   C OP1   1 
ATOM   4299 O OP2   . U   C 2 86  ? 44.259  15.989 53.796 1.00 176.26 ? 85  U   C OP2   1 
ATOM   4300 O "O5'" . U   C 2 86  ? 45.107  15.843 51.443 1.00 180.20 ? 85  U   C "O5'" 1 
ATOM   4301 C "C5'" . U   C 2 86  ? 45.542  15.170 50.267 1.00 180.76 ? 85  U   C "C5'" 1 
ATOM   4302 C "C4'" . U   C 2 86  ? 45.864  16.124 49.135 1.00 181.41 ? 85  U   C "C4'" 1 
ATOM   4303 O "O4'" . U   C 2 86  ? 44.643  16.645 48.545 1.00 180.79 ? 85  U   C "O4'" 1 
ATOM   4304 C "C3'" . U   C 2 86  ? 46.667  17.368 49.490 1.00 183.81 ? 85  U   C "C3'" 1 
ATOM   4305 O "O3'" . U   C 2 86  ? 48.060  17.111 49.612 1.00 185.74 ? 85  U   C "O3'" 1 
ATOM   4306 C "C2'" . U   C 2 86  ? 46.320  18.325 48.350 1.00 183.89 ? 85  U   C "C2'" 1 
ATOM   4307 O "O2'" . U   C 2 86  ? 47.090  18.033 47.192 1.00 182.95 ? 85  U   C "O2'" 1 
ATOM   4308 C "C1'" . U   C 2 86  ? 44.860  17.958 48.063 1.00 181.69 ? 85  U   C "C1'" 1 
ATOM   4309 N N1    . U   C 2 86  ? 43.894  18.877 48.716 1.00 183.09 ? 85  U   C N1    1 
ATOM   4310 C C2    . U   C 2 86  ? 43.672  20.150 48.197 1.00 184.96 ? 85  U   C C2    1 
ATOM   4311 O O2    . U   C 2 86  ? 44.249  20.579 47.210 1.00 185.12 ? 85  U   C O2    1 
ATOM   4312 N N3    . U   C 2 86  ? 42.746  20.910 48.888 1.00 186.69 ? 85  U   C N3    1 
ATOM   4313 C C4    . U   C 2 86  ? 42.033  20.534 50.015 1.00 185.49 ? 85  U   C C4    1 
ATOM   4314 O O4    . U   C 2 86  ? 41.229  21.304 50.547 1.00 186.07 ? 85  U   C O4    1 
ATOM   4315 C C5    . U   C 2 86  ? 42.316  19.212 50.477 1.00 182.42 ? 85  U   C C5    1 
ATOM   4316 C C6    . U   C 2 86  ? 43.206  18.456 49.829 1.00 182.80 ? 85  U   C C6    1 
ATOM   4317 P P     . U   C 2 87  ? 48.948  17.865 50.727 1.00 186.70 ? 86  U   C P     1 
ATOM   4318 O OP1   . U   C 2 87  ? 50.146  17.034 51.020 1.00 184.45 ? 86  U   C OP1   1 
ATOM   4319 O OP2   . U   C 2 87  ? 48.042  18.267 51.832 1.00 184.82 ? 86  U   C OP2   1 
ATOM   4320 O "O5'" . U   C 2 87  ? 49.457  19.190 50.000 1.00 188.64 ? 86  U   C "O5'" 1 
ATOM   4321 C "C5'" . U   C 2 87  ? 50.346  19.124 48.893 1.00 188.24 ? 86  U   C "C5'" 1 
ATOM   4322 C "C4'" . U   C 2 87  ? 50.372  20.422 48.120 1.00 189.37 ? 86  U   C "C4'" 1 
ATOM   4323 O "O4'" . U   C 2 87  ? 49.036  20.740 47.643 1.00 188.09 ? 86  U   C "O4'" 1 
ATOM   4324 C "C3'" . U   C 2 87  ? 50.788  21.661 48.902 1.00 192.62 ? 86  U   C "C3'" 1 
ATOM   4325 O "O3'" . U   C 2 87  ? 52.194  21.788 49.048 1.00 194.05 ? 86  U   C "O3'" 1 
ATOM   4326 C "C2'" . U   C 2 87  ? 50.153  22.787 48.097 1.00 192.08 ? 86  U   C "C2'" 1 
ATOM   4327 O "O2'" . U   C 2 87  ? 50.922  23.066 46.936 1.00 190.88 ? 86  U   C "O2'" 1 
ATOM   4328 C "C1'" . U   C 2 87  ? 48.836  22.139 47.663 1.00 188.59 ? 86  U   C "C1'" 1 
ATOM   4329 N N1    . U   C 2 87  ? 47.727  22.449 48.599 1.00 188.01 ? 86  U   C N1    1 
ATOM   4330 C C2    . U   C 2 87  ? 47.149  23.704 48.538 1.00 189.07 ? 86  U   C C2    1 
ATOM   4331 O O2    . U   C 2 87  ? 47.511  24.562 47.751 1.00 189.48 ? 86  U   C O2    1 
ATOM   4332 N N3    . U   C 2 87  ? 46.129  23.923 49.435 1.00 189.32 ? 86  U   C N3    1 
ATOM   4333 C C4    . U   C 2 87  ? 45.631  23.037 50.370 1.00 187.74 ? 86  U   C C4    1 
ATOM   4334 O O4    . U   C 2 87  ? 44.705  23.380 51.111 1.00 186.61 ? 86  U   C O4    1 
ATOM   4335 C C5    . U   C 2 87  ? 46.278  21.763 50.371 1.00 186.33 ? 86  U   C C5    1 
ATOM   4336 C C6    . U   C 2 87  ? 47.274  21.523 49.510 1.00 187.13 ? 86  U   C C6    1 
ATOM   4337 P P     . A   C 2 88  ? 52.820  22.346 50.422 1.00 197.76 ? 87  A   C P     1 
ATOM   4338 O OP1   . A   C 2 88  ? 54.266  21.997 50.451 1.00 197.04 ? 87  A   C OP1   1 
ATOM   4339 O OP2   . A   C 2 88  ? 51.936  21.920 51.539 1.00 195.51 ? 87  A   C OP2   1 
ATOM   4340 O "O5'" . A   C 2 88  ? 52.692  23.928 50.296 1.00 197.97 ? 87  A   C "O5'" 1 
ATOM   4341 C "C5'" . A   C 2 88  ? 53.291  24.636 49.220 1.00 197.95 ? 87  A   C "C5'" 1 
ATOM   4342 C "C4'" . A   C 2 88  ? 52.724  26.029 49.114 1.00 198.99 ? 87  A   C "C4'" 1 
ATOM   4343 O "O4'" . A   C 2 88  ? 51.305  25.946 48.832 1.00 197.84 ? 87  A   C "O4'" 1 
ATOM   4344 C "C3'" . A   C 2 88  ? 52.812  26.869 50.381 1.00 200.31 ? 87  A   C "C3'" 1 
ATOM   4345 O "O3'" . A   C 2 88  ? 54.061  27.526 50.506 1.00 200.96 ? 87  A   C "O3'" 1 
ATOM   4346 C "C2'" . A   C 2 88  ? 51.635  27.828 50.245 1.00 199.47 ? 87  A   C "C2'" 1 
ATOM   4347 O "O2'" . A   C 2 88  ? 51.970  28.920 49.401 1.00 200.18 ? 87  A   C "O2'" 1 
ATOM   4348 C "C1'" . A   C 2 88  ? 50.609  26.960 49.521 1.00 197.62 ? 87  A   C "C1'" 1 
ATOM   4349 N N9    . A   C 2 88  ? 49.639  26.320 50.430 1.00 196.53 ? 87  A   C N9    1 
ATOM   4350 C C8    . A   C 2 88  ? 49.567  24.989 50.759 1.00 195.01 ? 87  A   C C8    1 
ATOM   4351 N N7    . A   C 2 88  ? 48.580  24.694 51.568 1.00 194.72 ? 87  A   C N7    1 
ATOM   4352 C C5    . A   C 2 88  ? 47.951  25.913 51.783 1.00 196.07 ? 87  A   C C5    1 
ATOM   4353 C C6    . A   C 2 88  ? 46.829  26.280 52.554 1.00 196.19 ? 87  A   C C6    1 
ATOM   4354 N N6    . A   C 2 88  ? 46.114  25.419 53.283 1.00 196.20 ? 87  A   C N6    1 
ATOM   4355 N N1    . A   C 2 88  ? 46.462  27.582 52.554 1.00 197.02 ? 87  A   C N1    1 
ATOM   4356 C C2    . A   C 2 88  ? 47.178  28.447 51.825 1.00 197.52 ? 87  A   C C2    1 
ATOM   4357 N N3    . A   C 2 88  ? 48.248  28.223 51.061 1.00 198.63 ? 87  A   C N3    1 
ATOM   4358 C C4    . A   C 2 88  ? 48.589  26.922 51.083 1.00 197.46 ? 87  A   C C4    1 
ATOM   4359 P P     . C   C 2 89  ? 54.563  28.063 51.934 1.00 201.99 ? 88  C   C P     1 
ATOM   4360 O OP1   . C   C 2 89  ? 55.853  28.762 51.709 1.00 202.88 ? 88  C   C OP1   1 
ATOM   4361 O OP2   . C   C 2 89  ? 54.511  26.934 52.898 1.00 202.94 ? 88  C   C OP2   1 
ATOM   4362 O "O5'" . C   C 2 89  ? 53.469  29.149 52.352 1.00 199.95 ? 88  C   C "O5'" 1 
ATOM   4363 C "C5'" . C   C 2 89  ? 53.136  29.365 53.716 1.00 198.88 ? 88  C   C "C5'" 1 
ATOM   4364 C "C4'" . C   C 2 89  ? 52.051  30.404 53.875 1.00 197.82 ? 88  C   C "C4'" 1 
ATOM   4365 O "O4'" . C   C 2 89  ? 50.797  29.901 53.336 1.00 198.93 ? 88  C   C "O4'" 1 
ATOM   4366 C "C3'" . C   C 2 89  ? 51.705  30.789 55.307 1.00 197.34 ? 88  C   C "C3'" 1 
ATOM   4367 O "O3'" . C   C 2 89  ? 52.612  31.720 55.877 1.00 195.03 ? 88  C   C "O3'" 1 
ATOM   4368 C "C2'" . C   C 2 89  ? 50.282  31.315 55.174 1.00 197.80 ? 88  C   C "C2'" 1 
ATOM   4369 O "O2'" . C   C 2 89  ? 50.278  32.629 54.633 1.00 196.34 ? 88  C   C "O2'" 1 
ATOM   4370 C "C1'" . C   C 2 89  ? 49.712  30.366 54.121 1.00 199.35 ? 88  C   C "C1'" 1 
ATOM   4371 N N1    . C   C 2 89  ? 49.032  29.192 54.724 1.00 200.59 ? 88  C   C N1    1 
ATOM   4372 C C2    . C   C 2 89  ? 47.836  29.307 55.465 1.00 201.10 ? 88  C   C C2    1 
ATOM   4373 O O2    . C   C 2 89  ? 47.303  30.410 55.659 1.00 201.69 ? 88  C   C O2    1 
ATOM   4374 N N3    . C   C 2 89  ? 47.269  28.187 55.982 1.00 201.65 ? 88  C   C N3    1 
ATOM   4375 C C4    . C   C 2 89  ? 47.837  26.997 55.784 1.00 199.90 ? 88  C   C C4    1 
ATOM   4376 N N4    . C   C 2 89  ? 47.253  25.915 56.301 1.00 199.67 ? 88  C   C N4    1 
ATOM   4377 C C5    . C   C 2 89  ? 49.039  26.850 55.036 1.00 198.87 ? 88  C   C C5    1 
ATOM   4378 C C6    . C   C 2 89  ? 49.590  27.958 54.531 1.00 199.49 ? 88  C   C C6    1 
ATOM   4379 P P     . C   C 2 90  ? 52.803  31.792 57.474 1.00 188.80 ? 89  C   C P     1 
ATOM   4380 O OP1   . C   C 2 90  ? 54.038  32.563 57.771 1.00 177.36 ? 89  C   C OP1   1 
ATOM   4381 O OP2   . C   C 2 90  ? 52.661  30.417 58.015 1.00 190.60 ? 89  C   C OP2   1 
ATOM   4382 O "O5'" . C   C 2 90  ? 51.557  32.649 57.976 1.00 189.63 ? 89  C   C "O5'" 1 
ATOM   4383 C "C5'" . C   C 2 90  ? 51.453  33.043 59.337 1.00 188.93 ? 89  C   C "C5'" 1 
ATOM   4384 C "C4'" . C   C 2 90  ? 50.050  33.468 59.693 1.00 192.55 ? 89  C   C "C4'" 1 
ATOM   4385 O "O4'" . C   C 2 90  ? 49.092  32.674 58.940 1.00 194.00 ? 89  C   C "O4'" 1 
ATOM   4386 C "C3'" . C   C 2 90  ? 49.652  33.256 61.149 1.00 192.67 ? 89  C   C "C3'" 1 
ATOM   4387 O "O3'" . C   C 2 90  ? 50.089  34.294 62.011 1.00 188.09 ? 89  C   C "O3'" 1 
ATOM   4388 C "C2'" . C   C 2 90  ? 48.140  33.122 61.062 1.00 195.13 ? 89  C   C "C2'" 1 
ATOM   4389 O "O2'" . C   C 2 90  ? 47.531  34.394 60.890 1.00 193.56 ? 89  C   C "O2'" 1 
ATOM   4390 C "C1'" . C   C 2 90  ? 47.991  32.340 59.759 1.00 196.82 ? 89  C   C "C1'" 1 
ATOM   4391 N N1    . C   C 2 90  ? 48.020  30.874 59.980 1.00 199.19 ? 89  C   C N1    1 
ATOM   4392 C C2    . C   C 2 90  ? 47.028  30.225 60.734 1.00 201.44 ? 89  C   C C2    1 
ATOM   4393 O O2    . C   C 2 90  ? 46.090  30.869 61.237 1.00 200.82 ? 89  C   C O2    1 
ATOM   4394 N N3    . C   C 2 90  ? 47.105  28.882 60.896 1.00 202.16 ? 89  C   C N3    1 
ATOM   4395 C C4    . C   C 2 90  ? 48.107  28.190 60.353 1.00 199.61 ? 89  C   C C4    1 
ATOM   4396 N N4    . C   C 2 90  ? 48.132  26.871 60.549 1.00 196.84 ? 89  C   C N4    1 
ATOM   4397 C C5    . C   C 2 90  ? 49.126  28.819 59.584 1.00 197.74 ? 89  C   C C5    1 
ATOM   4398 C C6    . C   C 2 90  ? 49.039  30.144 59.426 1.00 197.81 ? 89  C   C C6    1 
HETATM 4399 O O     . HOH D 3 .   ? 11.372  43.979 0.457  1.00 45.93  ? 201 HOH A O     1 
HETATM 4400 O O     . HOH D 3 .   ? 25.153  42.891 33.137 1.00 28.84  ? 202 HOH A O     1 
HETATM 4401 O O     . HOH D 3 .   ? 29.313  43.806 42.648 1.00 48.37  ? 203 HOH A O     1 
HETATM 4402 O O     . HOH E 3 .   ? -2.538  42.927 57.746 1.00 49.19  ? 201 HOH B O     1 
HETATM 4403 O O     . HOH E 3 .   ? -2.625  43.602 53.362 1.00 46.65  ? 202 HOH B O     1 
HETATM 4404 O O     . HOH E 3 .   ? -1.956  35.962 43.807 1.00 47.26  ? 203 HOH B O     1 
HETATM 4405 O O     . HOH E 3 .   ? 13.705  35.529 53.780 1.00 46.60  ? 204 HOH B O     1 
HETATM 4406 O O     . HOH E 3 .   ? 12.515  51.664 35.824 1.00 30.27  ? 205 HOH B O     1 
HETATM 4407 O O     . HOH E 3 .   ? 2.123   52.190 34.962 1.00 42.11  ? 206 HOH B O     1 
HETATM 4408 O O     . HOH E 3 .   ? 1.527   49.108 76.966 1.00 52.94  ? 207 HOH B O     1 
HETATM 4409 O O     . HOH F 3 .   ? 5.445   38.175 31.890 1.00 46.66  ? 101 HOH C O     1 
HETATM 4410 O O     . HOH F 3 .   ? 2.793   29.864 30.007 1.00 74.77  ? 102 HOH C O     1 
# 
loop_
_atom_site_anisotrop.id 
_atom_site_anisotrop.type_symbol 
_atom_site_anisotrop.pdbx_label_atom_id 
_atom_site_anisotrop.pdbx_label_alt_id 
_atom_site_anisotrop.pdbx_label_comp_id 
_atom_site_anisotrop.pdbx_label_asym_id 
_atom_site_anisotrop.pdbx_label_seq_id 
_atom_site_anisotrop.pdbx_PDB_ins_code 
_atom_site_anisotrop.U[1][1] 
_atom_site_anisotrop.U[2][2] 
_atom_site_anisotrop.U[3][3] 
_atom_site_anisotrop.U[1][2] 
_atom_site_anisotrop.U[1][3] 
_atom_site_anisotrop.U[2][3] 
_atom_site_anisotrop.pdbx_auth_seq_id 
_atom_site_anisotrop.pdbx_auth_comp_id 
_atom_site_anisotrop.pdbx_auth_asym_id 
_atom_site_anisotrop.pdbx_auth_atom_id 
1    N N     . GLY A 3   ? 0.6147 0.9214 0.3871 -0.0175 0.0723  0.0290  1   GLY A N     
2    C CA    . GLY A 3   ? 0.6075 0.9655 0.4026 -0.0079 0.0594  0.0190  1   GLY A CA    
3    C C     . GLY A 3   ? 0.5955 0.9716 0.4074 -0.0199 0.0448  0.0058  1   GLY A C     
4    O O     . GLY A 3   ? 0.6309 0.9800 0.4381 -0.0371 0.0446  0.0037  1   GLY A O     
5    N N     . PRO A 4   ? 0.5900 1.0119 0.4215 -0.0102 0.0331  -0.0036 2   PRO A N     
6    C CA    . PRO A 4   ? 0.5689 1.0056 0.4162 -0.0206 0.0216  -0.0168 2   PRO A CA    
7    C C     . PRO A 4   ? 0.5827 1.0155 0.4292 -0.0201 0.0180  -0.0131 2   PRO A C     
8    O O     . PRO A 4   ? 0.5624 0.9903 0.4150 -0.0316 0.0125  -0.0191 2   PRO A O     
9    C CB    . PRO A 4   ? 0.5163 1.0038 0.3853 -0.0101 0.0131  -0.0311 2   PRO A CB    
10   C CG    . PRO A 4   ? 0.5962 1.0989 0.4608 0.0067  0.0189  -0.0239 2   PRO A CG    
11   C CD    . PRO A 4   ? 0.5886 1.0532 0.4301 0.0108  0.0301  -0.0047 2   PRO A CD    
12   N N     . ALA A 5   ? 0.5470 0.9835 0.3859 -0.0062 0.0220  -0.0028 3   ALA A N     
13   C CA    . ALA A 5   ? 0.5524 0.9815 0.3877 -0.0076 0.0215  0.0024  3   ALA A CA    
14   C C     . ALA A 5   ? 0.5357 0.9217 0.3561 -0.0251 0.0277  0.0089  3   ALA A C     
15   O O     . ALA A 5   ? 0.5005 0.8848 0.3255 -0.0342 0.0230  0.0064  3   ALA A O     
16   C CB    . ALA A 5   ? 0.5302 0.9697 0.3579 0.0104  0.0268  0.0135  3   ALA A CB    
17   N N     . PHE A 6   ? 0.5597 0.9130 0.3631 -0.0294 0.0386  0.0163  4   PHE A N     
18   C CA    . PHE A 6   ? 0.5885 0.9033 0.3785 -0.0461 0.0445  0.0202  4   PHE A CA    
19   C C     . PHE A 6   ? 0.5540 0.8683 0.3537 -0.0610 0.0357  0.0103  4   PHE A C     
20   O O     . PHE A 6   ? 0.5505 0.8527 0.3490 -0.0737 0.0330  0.0101  4   PHE A O     
21   C CB    . PHE A 6   ? 0.6164 0.8963 0.3858 -0.0456 0.0602  0.0290  4   PHE A CB    
22   C CG    . PHE A 6   ? 0.6282 0.8704 0.3836 -0.0617 0.0673  0.0318  4   PHE A CG    
23   C CD1   . PHE A 6   ? 0.6833 0.9120 0.4392 -0.0750 0.0646  0.0256  4   PHE A CD1   
24   C CD2   . PHE A 6   ? 0.6205 0.8438 0.3632 -0.0638 0.0770  0.0402  4   PHE A CD2   
25   C CE1   . PHE A 6   ? 0.6901 0.8899 0.4346 -0.0896 0.0696  0.0269  4   PHE A CE1   
26   C CE2   . PHE A 6   ? 0.6358 0.8316 0.3686 -0.0795 0.0828  0.0411  4   PHE A CE2   
27   C CZ    . PHE A 6   ? 0.7202 0.9059 0.4543 -0.0924 0.0780  0.0338  4   PHE A CZ    
28   N N     . GLU A 7   ? 0.6076 0.9370 0.4170 -0.0595 0.0317  0.0025  5   GLU A N     
29   C CA    . GLU A 7   ? 0.5963 0.9236 0.4131 -0.0731 0.0255  -0.0058 5   GLU A CA    
30   C C     . GLU A 7   ? 0.5799 0.9298 0.4124 -0.0745 0.0146  -0.0128 5   GLU A C     
31   O O     . GLU A 7   ? 0.5755 0.9170 0.4101 -0.0863 0.0104  -0.0160 5   GLU A O     
32   C CB    . GLU A 7   ? 0.5978 0.9369 0.4202 -0.0716 0.0266  -0.0124 5   GLU A CB    
33   C CG    . GLU A 7   ? 0.6152 0.9459 0.4403 -0.0867 0.0238  -0.0189 5   GLU A CG    
34   C CD    . GLU A 7   ? 0.6412 1.0046 0.4834 -0.0854 0.0185  -0.0320 5   GLU A CD    
35   O OE1   . GLU A 7   ? 0.6428 1.0272 0.4905 -0.0771 0.0214  -0.0360 5   GLU A OE1   
36   O OE2   . GLU A 7   ? 0.6130 0.9834 0.4638 -0.0921 0.0113  -0.0393 5   GLU A OE2   
37   N N     . PHE A 8   ? 0.5290 0.9074 0.3718 -0.0612 0.0108  -0.0151 6   PHE A N     
38   C CA    . PHE A 8   ? 0.4919 0.8891 0.3478 -0.0604 0.0030  -0.0211 6   PHE A CA    
39   C C     . PHE A 8   ? 0.4704 0.8534 0.3193 -0.0665 0.0043  -0.0129 6   PHE A C     
40   O O     . PHE A 8   ? 0.4376 0.8199 0.2917 -0.0745 -0.0005 -0.0156 6   PHE A O     
41   C CB    . PHE A 8   ? 0.4732 0.9061 0.3415 -0.0434 -0.0003 -0.0269 6   PHE A CB    
42   C CG    . PHE A 8   ? 0.4205 0.8723 0.3011 -0.0398 -0.0062 -0.0335 6   PHE A CG    
43   C CD1   . PHE A 8   ? 0.4129 0.8694 0.2906 -0.0346 -0.0047 -0.0263 6   PHE A CD1   
44   C CD2   . PHE A 8   ? 0.4053 0.8686 0.2988 -0.0419 -0.0121 -0.0474 6   PHE A CD2   
45   C CE1   . PHE A 8   ? 0.4208 0.8958 0.3092 -0.0307 -0.0091 -0.0325 6   PHE A CE1   
46   C CE2   . PHE A 8   ? 0.3955 0.8730 0.2983 -0.0374 -0.0164 -0.0541 6   PHE A CE2   
47   C CZ    . PHE A 8   ? 0.4090 0.8937 0.3096 -0.0314 -0.0148 -0.0467 6   PHE A CZ    
48   N N     . ALA A 9   ? 0.5039 0.8756 0.3401 -0.0630 0.0116  -0.0027 7   ALA A N     
49   C CA    . ALA A 9   ? 0.4732 0.8368 0.3035 -0.0691 0.0139  0.0042  7   ALA A CA    
50   C C     . ALA A 9   ? 0.4952 0.8349 0.3189 -0.0871 0.0139  0.0052  7   ALA A C     
51   O O     . ALA A 9   ? 0.4781 0.8235 0.3060 -0.0950 0.0102  0.0055  7   ALA A O     
52   C CB    . ALA A 9   ? 0.4767 0.8284 0.2918 -0.0623 0.0246  0.0150  7   ALA A CB    
53   N N     . VAL A 10  ? 0.5092 0.8248 0.3228 -0.0934 0.0180  0.0056  8   VAL A N     
54   C CA    . VAL A 10  ? 0.4788 0.7724 0.2849 -0.1099 0.0181  0.0063  8   VAL A CA    
55   C C     . VAL A 10  ? 0.4876 0.7929 0.3056 -0.1157 0.0082  0.0004  8   VAL A C     
56   O O     . VAL A 10  ? 0.4705 0.7764 0.2894 -0.1253 0.0045  0.0016  8   VAL A O     
57   C CB    . VAL A 10  ? 0.4943 0.7596 0.2861 -0.1135 0.0260  0.0077  8   VAL A CB    
58   C CG1   . VAL A 10  ? 0.5363 0.7860 0.3242 -0.1287 0.0229  0.0053  8   VAL A CG1   
59   C CG2   . VAL A 10  ? 0.5263 0.7716 0.3021 -0.1118 0.0383  0.0153  8   VAL A CG2   
60   N N     . ALA A 11  ? 0.4426 0.7588 0.2695 -0.1097 0.0044  -0.0059 9   ALA A N     
61   C CA    . ALA A 11  ? 0.4351 0.7614 0.2717 -0.1126 -0.0035 -0.0110 9   ALA A CA    
62   C C     . ALA A 11  ? 0.4462 0.7932 0.2928 -0.1082 -0.0082 -0.0111 9   ALA A C     
63   O O     . ALA A 11  ? 0.4532 0.8001 0.3009 -0.1145 -0.0126 -0.0099 9   ALA A O     
64   C CB    . ALA A 11  ? 0.4557 0.7942 0.3009 -0.1065 -0.0058 -0.0197 9   ALA A CB    
65   N N     . MET A 12  ? 0.4567 0.8231 0.3097 -0.0965 -0.0069 -0.0119 10  MET A N     
66   C CA    . MET A 12  ? 0.4127 0.8020 0.2754 -0.0907 -0.0100 -0.0124 10  MET A CA    
67   C C     . MET A 12  ? 0.4182 0.8039 0.2765 -0.1016 -0.0095 -0.0055 10  MET A C     
68   O O     . MET A 12  ? 0.4142 0.8135 0.2800 -0.1026 -0.0142 -0.0067 10  MET A O     
69   C CB    . MET A 12  ? 0.4622 0.8695 0.3278 -0.0771 -0.0068 -0.0120 10  MET A CB    
70   C CG    . MET A 12  ? 0.4051 0.8418 0.2830 -0.0667 -0.0100 -0.0162 10  MET A CG    
71   S SD    . MET A 12  ? 0.4714 0.9182 0.3615 -0.0643 -0.0178 -0.0281 10  MET A SD    
72   C CE    . MET A 12  ? 0.4638 0.9390 0.3624 -0.0562 -0.0186 -0.0282 10  MET A CE    
73   N N     . MET A 13  ? 0.4025 0.7714 0.2484 -0.1097 -0.0034 0.0010  11  MET A N     
74   C CA    . MET A 13  ? 0.4018 0.7701 0.2436 -0.1230 -0.0027 0.0058  11  MET A CA    
75   C C     . MET A 13  ? 0.4250 0.7813 0.2640 -0.1358 -0.0073 0.0049  11  MET A C     
76   O O     . MET A 13  ? 0.4073 0.7763 0.2503 -0.1433 -0.0112 0.0063  11  MET A O     
77   C CB    . MET A 13  ? 0.4069 0.7573 0.2336 -0.1284 0.0067  0.0117  11  MET A CB    
78   C CG    . MET A 13  ? 0.4715 0.8329 0.2969 -0.1171 0.0131  0.0164  11  MET A CG    
79   S SD    . MET A 13  ? 0.4353 0.8361 0.2750 -0.1108 0.0101  0.0174  11  MET A SD    
80   C CE    . MET A 13  ? 0.3891 0.8114 0.2462 -0.0946 0.0011  0.0080  11  MET A CE    
81   N N     . LYS A 14  ? 0.4652 0.8000 0.2974 -0.1373 -0.0071 0.0031  12  LYS A N     
82   C CA    . LYS A 14  ? 0.4345 0.7569 0.2616 -0.1476 -0.0111 0.0033  12  LYS A CA    
83   C C     . LYS A 14  ? 0.4407 0.7802 0.2781 -0.1424 -0.0193 0.0019  12  LYS A C     
84   O O     . LYS A 14  ? 0.4773 0.8198 0.3132 -0.1496 -0.0238 0.0045  12  LYS A O     
85   C CB    . LYS A 14  ? 0.4526 0.7509 0.2702 -0.1483 -0.0081 0.0018  12  LYS A CB    
86   C CG    . LYS A 14  ? 0.4668 0.7512 0.2772 -0.1559 -0.0118 0.0024  12  LYS A CG    
87   C CD    . LYS A 14  ? 0.4736 0.7350 0.2735 -0.1576 -0.0063 0.0012  12  LYS A CD    
88   C CE    . LYS A 14  ? 0.5227 0.7656 0.3104 -0.1635 0.0021  0.0025  12  LYS A CE    
89   N NZ    . LYS A 14  ? 0.6277 0.8515 0.4009 -0.1773 0.0028  0.0036  12  LYS A NZ    
90   N N     . ARG A 15  ? 0.3980 0.7498 0.2453 -0.1293 -0.0215 -0.0029 13  ARG A N     
91   C CA    . ARG A 15  ? 0.4161 0.7785 0.2700 -0.1234 -0.0291 -0.0055 13  ARG A CA    
92   C C     . ARG A 15  ? 0.4543 0.8444 0.3206 -0.1147 -0.0318 -0.0071 13  ARG A C     
93   O O     . ARG A 15  ? 0.4508 0.8504 0.3217 -0.1096 -0.0384 -0.0086 13  ARG A O     
94   C CB    . ARG A 15  ? 0.4038 0.7619 0.2593 -0.1167 -0.0308 -0.0124 13  ARG A CB    
95   C CG    . ARG A 15  ? 0.4409 0.7847 0.2907 -0.1193 -0.0246 -0.0137 13  ARG A CG    
96   C CD    . ARG A 15  ? 0.4788 0.8185 0.3285 -0.1182 -0.0263 -0.0204 13  ARG A CD    
97   N NE    . ARG A 15  ? 0.4720 0.8206 0.3262 -0.1147 -0.0342 -0.0238 13  ARG A NE    
98   C CZ    . ARG A 15  ? 0.5273 0.8653 0.3737 -0.1204 -0.0380 -0.0235 13  ARG A CZ    
99   N NH1   . ARG A 15  ? 0.4849 0.8028 0.3184 -0.1306 -0.0336 -0.0199 13  ARG A NH1   
100  N NH2   . ARG A 15  ? 0.5177 0.8659 0.3681 -0.1158 -0.0461 -0.0263 13  ARG A NH2   
101  N N     . ASN A 16  ? 0.4566 0.8604 0.3274 -0.1116 -0.0267 -0.0066 14  ASN A N     
102  C CA    . ASN A 16  ? 0.4110 0.8433 0.2931 -0.1022 -0.0280 -0.0086 14  ASN A CA    
103  C C     . ASN A 16  ? 0.4256 0.8735 0.3086 -0.1086 -0.0235 -0.0026 14  ASN A C     
104  O O     . ASN A 16  ? 0.4316 0.9070 0.3240 -0.1023 -0.0239 -0.0031 14  ASN A O     
105  C CB    . ASN A 16  ? 0.3900 0.8326 0.2790 -0.0875 -0.0270 -0.0167 14  ASN A CB    
106  C CG    . ASN A 16  ? 0.4022 0.8447 0.2958 -0.0799 -0.0335 -0.0258 14  ASN A CG    
107  O OD1   . ASN A 16  ? 0.4178 0.8452 0.3080 -0.0810 -0.0344 -0.0302 14  ASN A OD1   
108  N ND2   . ASN A 16  ? 0.4318 0.8931 0.3331 -0.0724 -0.0380 -0.0292 14  ASN A ND2   
109  N N     . SER A 17  ? 0.4080 0.8406 0.2809 -0.1212 -0.0188 0.0025  15  SER A N     
110  C CA    . SER A 17  ? 0.3814 0.8285 0.2535 -0.1298 -0.0144 0.0076  15  SER A CA    
111  C C     . SER A 17  ? 0.4722 0.9237 0.3426 -0.1464 -0.0174 0.0103  15  SER A C     
112  O O     . SER A 17  ? 0.4949 0.9310 0.3609 -0.1513 -0.0219 0.0097  15  SER A O     
113  C CB    . SER A 17  ? 0.3887 0.8159 0.2480 -0.1331 -0.0067 0.0108  15  SER A CB    
114  O OG    . SER A 17  ? 0.4096 0.8304 0.2593 -0.1511 -0.0028 0.0149  15  SER A OG    
115  N N     . SER A 18  ? 0.4811 0.9551 0.3539 -0.1556 -0.0145 0.0137  16  SER A N     
116  C CA    . SER A 18  ? 0.4250 0.9130 0.2981 -0.1731 -0.0171 0.0155  16  SER A CA    
117  C C     . SER A 18  ? 0.4342 0.9383 0.3045 -0.1875 -0.0107 0.0185  16  SER A C     
118  O O     . SER A 18  ? 0.4894 0.9958 0.3589 -0.1784 -0.0049 0.0206  16  SER A O     
119  C CB    . SER A 18  ? 0.3755 0.8906 0.2621 -0.1639 -0.0239 0.0149  16  SER A CB    
120  O OG    . SER A 18  ? 0.3954 0.9443 0.2882 -0.1758 -0.0233 0.0174  16  SER A OG    
121  N N     . THR A 19  ? 0.4235 0.9366 0.2898 -0.2098 -0.0112 0.0186  17  THR A N     
122  C CA    . THR A 19  ? 0.4397 0.9720 0.3031 -0.2273 -0.0053 0.0204  17  THR A CA    
123  C C     . THR A 19  ? 0.4716 1.0542 0.3522 -0.2313 -0.0098 0.0213  17  THR A C     
124  O O     . THR A 19  ? 0.4994 1.0907 0.3849 -0.2324 -0.0161 0.0201  17  THR A O     
125  C CB    . THR A 19  ? 0.4433 0.9519 0.2881 -0.2538 -0.0010 0.0174  17  THR A CB    
126  O OG1   . THR A 19  ? 0.5391 1.0038 0.3669 -0.2479 0.0088  0.0186  17  THR A OG1   
127  C CG2   . THR A 19  ? 0.4296 0.9646 0.2731 -0.2771 0.0033  0.0168  17  THR A CG2   
128  N N     . VAL A 20  ? 0.4527 1.0645 0.3401 -0.2296 -0.0055 0.0243  18  VAL A N     
129  C CA    . VAL A 20  ? 0.3970 1.0622 0.3025 -0.2310 -0.0087 0.0255  18  VAL A CA    
130  C C     . VAL A 20  ? 0.4320 1.1189 0.3333 -0.2526 -0.0034 0.0267  18  VAL A C     
131  O O     . VAL A 20  ? 0.4663 1.1216 0.3551 -0.2509 0.0090  0.0303  18  VAL A O     
132  C CB    . VAL A 20  ? 0.3949 1.0769 0.3142 -0.2016 -0.0097 0.0267  18  VAL A CB    
133  C CG1   . VAL A 20  ? 0.4190 1.1552 0.3531 -0.2019 -0.0082 0.0293  18  VAL A CG1   
134  C CG2   . VAL A 20  ? 0.4056 1.0736 0.3283 -0.1858 -0.0167 0.0236  18  VAL A CG2   
135  N N     . LYS A 21  ? 0.4593 1.1915 0.3708 -0.2709 -0.0082 0.0248  19  LYS A N     
136  C CA    . LYS A 21  ? 0.5093 1.2501 0.4126 -0.2894 -0.0015 0.0242  19  LYS A CA    
137  C C     . LYS A 21  ? 0.5444 1.3345 0.4663 -0.2781 -0.0025 0.0273  19  LYS A C     
138  O O     . LYS A 21  ? 0.4723 1.2892 0.3980 -0.2668 -0.0087 0.0275  19  LYS A O     
139  C CB    . LYS A 21  ? 0.5332 1.2656 0.4220 -0.3181 -0.0032 0.0169  19  LYS A CB    
140  C CG    . LYS A 21  ? 0.6141 1.3409 0.5126 -0.3401 0.0099  0.0140  19  LYS A CG    
141  C CD    . LYS A 21  ? 0.6996 1.3700 0.5811 -0.3581 0.0238  0.0106  19  LYS A CD    
142  C CE    . LYS A 21  ? 0.7953 1.4603 0.6893 -0.3790 0.0400  0.0082  19  LYS A CE    
143  N NZ    . LYS A 21  ? 0.7601 1.3759 0.6492 -0.3754 0.0637  0.0162  19  LYS A NZ    
144  N N     . THR A 22  ? 0.6449 1.4327 0.5784 -0.2751 0.0119  0.0325  20  THR A N     
145  C CA    . THR A 22  ? 0.6813 1.5132 0.6358 -0.2654 0.0130  0.0353  20  THR A CA    
146  C C     . THR A 22  ? 0.8013 1.6287 0.7670 -0.2859 0.0284  0.0366  20  THR A C     
147  O O     . THR A 22  ? 0.8056 1.5950 0.7610 -0.3065 0.0377  0.0345  20  THR A O     
148  C CB    . THR A 22  ? 0.6374 1.4748 0.5961 -0.2356 0.0173  0.0415  20  THR A CB    
149  O OG1   . THR A 22  ? 0.6611 1.4589 0.6126 -0.2343 0.0359  0.0485  20  THR A OG1   
150  C CG2   . THR A 22  ? 0.5143 1.3481 0.4655 -0.2153 0.0048  0.0387  20  THR A CG2   
151  N N     . GLU A 23  ? 1.0479 1.9110 1.0349 -0.2795 0.0331  0.0400  21  GLU A N     
152  C CA    . GLU A 23  ? 1.0762 1.9395 1.0783 -0.2997 0.0485  0.0410  21  GLU A CA    
153  C C     . GLU A 23  ? 1.0982 1.9104 1.0886 -0.3029 0.0706  0.0488  21  GLU A C     
154  O O     . GLU A 23  ? 1.1273 1.9182 1.1215 -0.3268 0.0843  0.0473  21  GLU A O     
155  C CB    . GLU A 23  ? 1.0733 1.9839 1.1002 -0.2872 0.0506  0.0448  21  GLU A CB    
156  C CG    . GLU A 23  ? 1.0998 2.0064 1.1416 -0.2943 0.0740  0.0524  21  GLU A CG    
157  C CD    . GLU A 23  ? 1.1326 2.0127 1.1790 -0.3272 0.0876  0.0490  21  GLU A CD    
158  O OE1   . GLU A 23  ? 1.1375 2.0259 1.1871 -0.3487 0.0758  0.0372  21  GLU A OE1   
159  O OE2   . GLU A 23  ? 1.1571 2.0062 1.2028 -0.3300 0.1113  0.0582  21  GLU A OE2   
160  N N     . TYR A 24  ? 0.8610 1.6483 0.8352 -0.2791 0.0739  0.0559  22  TYR A N     
161  C CA    . TYR A 24  ? 0.8577 1.5961 0.8193 -0.2751 0.0958  0.0658  22  TYR A CA    
162  C C     . TYR A 24  ? 0.7762 1.4623 0.7144 -0.2819 0.0969  0.0634  22  TYR A C     
163  O O     . TYR A 24  ? 0.7917 1.4330 0.7183 -0.2795 0.1165  0.0720  22  TYR A O     
164  C CB    . TYR A 24  ? 0.7802 1.5214 0.7370 -0.2420 0.1002  0.0754  22  TYR A CB    
165  C CG    . TYR A 24  ? 0.7645 1.5504 0.7420 -0.2336 0.1044  0.0793  22  TYR A CG    
166  C CD1   . TYR A 24  ? 0.7647 1.5439 0.7513 -0.2404 0.1277  0.0889  22  TYR A CD1   
167  C CD2   . TYR A 24  ? 0.6992 1.5328 0.6873 -0.2185 0.0866  0.0737  22  TYR A CD2   
168  C CE1   . TYR A 24  ? 0.7110 1.5308 0.7168 -0.2328 0.1326  0.0926  22  TYR A CE1   
169  C CE2   . TYR A 24  ? 0.6643 1.5381 0.6709 -0.2097 0.0911  0.0769  22  TYR A CE2   
170  C CZ    . TYR A 24  ? 0.6835 1.5509 0.6990 -0.2173 0.1138  0.0862  22  TYR A CZ    
171  O OH    . TYR A 24  ? 0.7335 1.6403 0.7679 -0.2088 0.1198  0.0897  22  TYR A OH    
172  N N     . GLY A 25  ? 0.7749 1.4641 0.7055 -0.2902 0.0783  0.0530  23  GLY A N     
173  C CA    . GLY A 25  ? 0.7480 1.3855 0.6573 -0.2989 0.0825  0.0506  23  GLY A CA    
174  C C     . GLY A 25  ? 0.6972 1.3319 0.5935 -0.2877 0.0635  0.0450  23  GLY A C     
175  O O     . GLY A 25  ? 0.6642 1.3401 0.5690 -0.2830 0.0453  0.0401  23  GLY A O     
176  N N     . GLU A 26  ? 0.6281 1.2123 0.5048 -0.2825 0.0698  0.0467  24  GLU A N     
177  C CA    . GLU A 26  ? 0.6092 1.1781 0.4731 -0.2742 0.0556  0.0414  24  GLU A CA    
178  C C     . GLU A 26  ? 0.5956 1.1490 0.4555 -0.2418 0.0570  0.0481  24  GLU A C     
179  O O     . GLU A 26  ? 0.6141 1.1374 0.4661 -0.2308 0.0740  0.0571  24  GLU A O     
180  C CB    . GLU A 26  ? 0.6363 1.1587 0.4815 -0.2928 0.0621  0.0365  24  GLU A CB    
181  C CG    . GLU A 26  ? 0.6940 1.2223 0.5319 -0.3057 0.0442  0.0256  24  GLU A CG    
182  C CD    . GLU A 26  ? 0.7142 1.1953 0.5313 -0.3243 0.0516  0.0194  24  GLU A CD    
183  O OE1   . GLU A 26  ? 0.7368 1.1939 0.5501 -0.3401 0.0691  0.0195  24  GLU A OE1   
184  O OE2   . GLU A 26  ? 0.6938 1.1604 0.5001 -0.3223 0.0413  0.0145  24  GLU A OE2   
185  N N     . PHE A 27  ? 0.5674 1.1408 0.4333 -0.2262 0.0401  0.0437  25  PHE A N     
186  C CA    . PHE A 27  ? 0.5106 1.0745 0.3757 -0.1967 0.0395  0.0467  25  PHE A CA    
187  C C     . PHE A 27  ? 0.5119 1.0625 0.3756 -0.1894 0.0265  0.0396  25  PHE A C     
188  O O     . PHE A 27  ? 0.4789 1.0513 0.3526 -0.1958 0.0137  0.0334  25  PHE A O     
189  C CB    . PHE A 27  ? 0.4822 1.0895 0.3636 -0.1797 0.0359  0.0484  25  PHE A CB    
190  C CG    . PHE A 27  ? 0.5553 1.1758 0.4404 -0.1847 0.0500  0.0563  25  PHE A CG    
191  C CD1   . PHE A 27  ? 0.5698 1.1532 0.4424 -0.1856 0.0696  0.0655  25  PHE A CD1   
192  C CD2   . PHE A 27  ? 0.5229 1.1920 0.4254 -0.1875 0.0457  0.0554  25  PHE A CD2   
193  C CE1   . PHE A 27  ? 0.5660 1.1576 0.4442 -0.1906 0.0856  0.0739  25  PHE A CE1   
194  C CE2   . PHE A 27  ? 0.5639 1.2430 0.4723 -0.1925 0.0604  0.0629  25  PHE A CE2   
195  C CZ    . PHE A 27  ? 0.6069 1.2462 0.5038 -0.1946 0.0808  0.0722  25  PHE A CZ    
196  N N     . THR A 28  ? 0.4899 1.0050 0.3424 -0.1746 0.0314  0.0414  26  THR A N     
197  C CA    . THR A 28  ? 0.4456 0.9528 0.3016 -0.1620 0.0208  0.0351  26  THR A CA    
198  C C     . THR A 28  ? 0.4133 0.9584 0.2883 -0.1462 0.0119  0.0314  26  THR A C     
199  O O     . THR A 28  ? 0.5086 1.0751 0.3886 -0.1341 0.0159  0.0348  26  THR A O     
200  C CB    . THR A 28  ? 0.4666 0.9391 0.3097 -0.1463 0.0284  0.0382  26  THR A CB    
201  O OG1   . THR A 28  ? 0.4842 0.9249 0.3100 -0.1570 0.0430  0.0448  26  THR A OG1   
202  C CG2   . THR A 28  ? 0.4800 0.9354 0.3233 -0.1420 0.0201  0.0314  26  THR A CG2   
203  N N     . MET A 29  ? 0.3780 0.9291 0.2627 -0.1451 0.0019  0.0249  27  MET A N     
204  C CA    . MET A 29  ? 0.3650 0.9442 0.2659 -0.1281 -0.0037 0.0204  27  MET A CA    
205  C C     . MET A 29  ? 0.4113 0.9663 0.3117 -0.1155 -0.0080 0.0139  27  MET A C     
206  O O     . MET A 29  ? 0.4166 0.9418 0.3086 -0.1241 -0.0099 0.0131  27  MET A O     
207  C CB    . MET A 29  ? 0.3612 0.9717 0.2739 -0.1370 -0.0087 0.0197  27  MET A CB    
208  C CG    . MET A 29  ? 0.3931 1.0274 0.3195 -0.1187 -0.0132 0.0147  27  MET A CG    
209  S SD    . MET A 29  ? 0.4073 1.0632 0.3411 -0.1282 -0.0194 0.0155  27  MET A SD    
210  C CE    . MET A 29  ? 0.3178 0.9833 0.2610 -0.1029 -0.0256 0.0088  27  MET A CE    
211  N N     . LEU A 30  ? 0.3706 0.9384 0.2789 -0.0959 -0.0093 0.0086  28  LEU A N     
212  C CA    . LEU A 30  ? 0.3536 0.9003 0.2611 -0.0856 -0.0130 0.0011  28  LEU A CA    
213  C C     . LEU A 30  ? 0.3281 0.8890 0.2454 -0.0760 -0.0190 -0.0063 28  LEU A C     
214  O O     . LEU A 30  ? 0.3741 0.9657 0.3003 -0.0673 -0.0185 -0.0080 28  LEU A O     
215  C CB    . LEU A 30  ? 0.3514 0.8949 0.2562 -0.0714 -0.0096 -0.0012 28  LEU A CB    
216  C CG    . LEU A 30  ? 0.3795 0.9062 0.2842 -0.0625 -0.0128 -0.0099 28  LEU A CG    
217  C CD1   . LEU A 30  ? 0.3926 0.8886 0.2855 -0.0699 -0.0103 -0.0060 28  LEU A CD1   
218  C CD2   . LEU A 30  ? 0.3757 0.9223 0.2862 -0.0443 -0.0122 -0.0166 28  LEU A CD2   
219  N N     . GLY A 31  ? 0.3191 0.8574 0.2337 -0.0768 -0.0246 -0.0103 29  GLY A N     
220  C CA    . GLY A 31  ? 0.3623 0.9088 0.2832 -0.0667 -0.0312 -0.0171 29  GLY A CA    
221  C C     . GLY A 31  ? 0.3911 0.9305 0.3133 -0.0539 -0.0330 -0.0282 29  GLY A C     
222  O O     . GLY A 31  ? 0.4707 0.9870 0.3869 -0.0570 -0.0324 -0.0298 29  GLY A O     
223  N N     . ILE A 32  ? 0.3724 0.9343 0.3028 -0.0396 -0.0350 -0.0372 30  ILE A N     
224  C CA    . ILE A 32  ? 0.4276 0.9896 0.3606 -0.0276 -0.0361 -0.0506 30  ILE A CA    
225  C C     . ILE A 32  ? 0.4277 0.9767 0.3617 -0.0253 -0.0447 -0.0600 30  ILE A C     
226  O O     . ILE A 32  ? 0.4503 0.9807 0.3817 -0.0277 -0.0464 -0.0661 30  ILE A O     
227  C CB    . ILE A 32  ? 0.4426 1.0381 0.3831 -0.0125 -0.0330 -0.0578 30  ILE A CB    
228  C CG1   . ILE A 32  ? 0.4172 1.0278 0.3566 -0.0143 -0.0250 -0.0474 30  ILE A CG1   
229  C CG2   . ILE A 32  ? 0.4330 1.0295 0.3765 -0.0011 -0.0350 -0.0743 30  ILE A CG2   
230  C CD1   . ILE A 32  ? 0.3891 0.9874 0.3236 -0.0140 -0.0216 -0.0462 30  ILE A CD1   
231  N N     . TYR A 33  ? 0.4428 1.0035 0.3815 -0.0208 -0.0505 -0.0610 31  TYR A N     
232  C CA    . TYR A 33  ? 0.4614 1.0143 0.4025 -0.0166 -0.0597 -0.0706 31  TYR A CA    
233  C C     . TYR A 33  ? 0.4748 1.0414 0.4203 -0.0129 -0.0663 -0.0647 31  TYR A C     
234  O O     . TYR A 33  ? 0.4737 1.0623 0.4230 -0.0104 -0.0630 -0.0583 31  TYR A O     
235  C CB    . TYR A 33  ? 0.4660 1.0323 0.4149 -0.0032 -0.0611 -0.0911 31  TYR A CB    
236  C CG    . TYR A 33  ? 0.4384 1.0350 0.3962 0.0118  -0.0635 -0.0990 31  TYR A CG    
237  C CD1   . TYR A 33  ? 0.4318 1.0537 0.3912 0.0178  -0.0563 -0.0947 31  TYR A CD1   
238  C CD2   . TYR A 33  ? 0.4470 1.0498 0.4125 0.0208  -0.0733 -0.1111 31  TYR A CD2   
239  C CE1   . TYR A 33  ? 0.4380 1.0906 0.4052 0.0324  -0.0577 -0.1021 31  TYR A CE1   
240  C CE2   . TYR A 33  ? 0.4313 1.0640 0.4060 0.0369  -0.0757 -0.1193 31  TYR A CE2   
241  C CZ    . TYR A 33  ? 0.4641 1.1217 0.4390 0.0426  -0.0675 -0.1146 31  TYR A CZ    
242  O OH    . TYR A 33  ? 0.5151 1.2053 0.4989 0.0594  -0.0690 -0.1228 31  TYR A OH    
243  N N     . ASP A 34  ? 0.4911 1.0273 0.4850 0.0085  0.1289  -0.1298 32  ASP A N     
244  C CA    . ASP A 34  ? 0.4927 1.0354 0.4706 0.0223  0.1315  -0.1211 32  ASP A CA    
245  C C     . ASP A 34  ? 0.4679 1.0320 0.4471 0.0253  0.1184  -0.1118 32  ASP A C     
246  O O     . ASP A 34  ? 0.4778 1.0417 0.4563 0.0156  0.1152  -0.1097 32  ASP A O     
247  C CB    . ASP A 34  ? 0.5043 1.0538 0.4848 0.0378  0.1324  -0.1247 32  ASP A CB    
248  C CG    . ASP A 34  ? 0.5160 1.0670 0.4751 0.0554  0.1381  -0.1200 32  ASP A CG    
249  O OD1   . ASP A 34  ? 0.5079 1.0354 0.4461 0.0543  0.1519  -0.1208 32  ASP A OD1   
250  O OD2   . ASP A 34  ? 0.5353 1.1093 0.4963 0.0701  0.1278  -0.1157 32  ASP A OD2   
251  N N     . ARG A 35  ? 0.5113 1.0965 0.4941 0.0383  0.1103  -0.1083 33  ARG A N     
252  C CA    . ARG A 35  ? 0.4979 1.1066 0.4837 0.0400  0.0980  -0.1011 33  ARG A CA    
253  C C     . ARG A 35  ? 0.4744 1.1018 0.4776 0.0342  0.0858  -0.1027 33  ARG A C     
254  O O     . ARG A 35  ? 0.4666 1.1186 0.4731 0.0376  0.0763  -0.0984 33  ARG A O     
255  C CB    . ARG A 35  ? 0.5142 1.1373 0.4875 0.0588  0.0975  -0.0960 33  ARG A CB    
256  C CG    . ARG A 35  ? 0.5459 1.1491 0.4922 0.0662  0.1099  -0.0924 33  ARG A CG    
257  C CD    . ARG A 35  ? 0.5689 1.1828 0.4992 0.0913  0.1096  -0.0906 33  ARG A CD    
258  N NE    . ARG A 35  ? 0.6196 1.2277 0.5528 0.1025  0.1147  -0.0995 33  ARG A NE    
259  C CZ    . ARG A 35  ? 0.6671 1.2738 0.5962 0.1249  0.1070  -0.1006 33  ARG A CZ    
260  N NH1   . ARG A 35  ? 0.6170 1.2348 0.5359 0.1410  0.0965  -0.0944 33  ARG A NH1   
261  N NH2   . ARG A 35  ? 0.6422 1.2392 0.5793 0.1326  0.1089  -0.1104 33  ARG A NH2   
262  N N     . TRP A 36  ? 0.4144 1.0315 0.4265 0.0248  0.0861  -0.1089 34  TRP A N     
263  C CA    . TRP A 36  ? 0.3796 1.0120 0.4025 0.0200  0.0765  -0.1105 34  TRP A CA    
264  C C     . TRP A 36  ? 0.3596 0.9915 0.3869 0.0063  0.0699  -0.1116 34  TRP A C     
265  O O     . TRP A 36  ? 0.3968 1.0107 0.4246 0.0001  0.0744  -0.1174 34  TRP A O     
266  C CB    . TRP A 36  ? 0.3944 1.0188 0.4225 0.0228  0.0810  -0.1182 34  TRP A CB    
267  C CG    . TRP A 36  ? 0.3982 1.0358 0.4264 0.0365  0.0818  -0.1193 34  TRP A CG    
268  C CD1   . TRP A 36  ? 0.4133 1.0407 0.4367 0.0491  0.0915  -0.1238 34  TRP A CD1   
269  C CD2   . TRP A 36  ? 0.3651 1.0309 0.3978 0.0397  0.0724  -0.1178 34  TRP A CD2   
270  N NE1   . TRP A 36  ? 0.4028 1.0517 0.4296 0.0623  0.0871  -0.1265 34  TRP A NE1   
271  C CE2   . TRP A 36  ? 0.3622 1.0356 0.3950 0.0556  0.0755  -0.1229 34  TRP A CE2   
272  C CE3   . TRP A 36  ? 0.3369 1.0236 0.3724 0.0300  0.0622  -0.1137 34  TRP A CE3   
273  C CZ2   . TRP A 36  ? 0.3540 1.0569 0.3913 0.0620  0.0679  -0.1251 34  TRP A CZ2   
274  C CZ3   . TRP A 36  ? 0.3318 1.0464 0.3694 0.0341  0.0563  -0.1142 34  TRP A CZ3   
275  C CH2   . TRP A 36  ? 0.3481 1.0716 0.3873 0.0498  0.0587  -0.1204 34  TRP A CH2   
276  N N     . ALA A 37  ? 0.3179 0.9714 0.3481 0.0013  0.0596  -0.1076 35  ALA A N     
277  C CA    . ALA A 37  ? 0.3242 0.9801 0.3570 -0.0101 0.0532  -0.1097 35  ALA A CA    
278  C C     . ALA A 37  ? 0.2860 0.9622 0.3204 -0.0163 0.0452  -0.1073 35  ALA A C     
279  O O     . ALA A 37  ? 0.2900 0.9792 0.3239 -0.0127 0.0444  -0.1042 35  ALA A O     
280  C CB    . ALA A 37  ? 0.3270 0.9882 0.3576 -0.0128 0.0503  -0.1068 35  ALA A CB    
281  N N     . VAL A 38  ? 0.2916 0.9724 0.3272 -0.0259 0.0397  -0.1098 36  VAL A N     
282  C CA    . VAL A 38  ? 0.3245 1.0234 0.3588 -0.0335 0.0339  -0.1074 36  VAL A CA    
283  C C     . VAL A 38  ? 0.3075 1.0231 0.3400 -0.0442 0.0272  -0.1034 36  VAL A C     
284  O O     . VAL A 38  ? 0.3048 1.0145 0.3403 -0.0463 0.0258  -0.1094 36  VAL A O     
285  C CB    . VAL A 38  ? 0.3294 1.0203 0.3662 -0.0343 0.0344  -0.1163 36  VAL A CB    
286  C CG1   . VAL A 38  ? 0.2917 1.0050 0.3245 -0.0409 0.0297  -0.1114 36  VAL A CG1   
287  C CG2   . VAL A 38  ? 0.3291 0.9987 0.3691 -0.0253 0.0422  -0.1229 36  VAL A CG2   
288  N N     . LEU A 39  ? 0.3218 1.0596 0.3500 -0.0521 0.0235  -0.0946 37  LEU A N     
289  C CA    . LEU A 39  ? 0.3537 1.1100 0.3791 -0.0657 0.0184  -0.0875 37  LEU A CA    
290  C C     . LEU A 39  ? 0.3469 1.1215 0.3671 -0.0777 0.0160  -0.0803 37  LEU A C     
291  O O     . LEU A 39  ? 0.3066 1.0856 0.3240 -0.0741 0.0178  -0.0801 37  LEU A O     
292  C CB    . LEU A 39  ? 0.3555 1.1238 0.3789 -0.0663 0.0177  -0.0810 37  LEU A CB    
293  C CG    . LEU A 39  ? 0.3385 1.1053 0.3646 -0.0665 0.0161  -0.0821 37  LEU A CG    
294  C CD1   . LEU A 39  ? 0.3261 1.1102 0.3493 -0.0657 0.0156  -0.0767 37  LEU A CD1   
295  C CD2   . LEU A 39  ? 0.3403 1.1093 0.3715 -0.0802 0.0109  -0.0804 37  LEU A CD2   
296  N N     . PRO A 40  ? 0.3302 1.1144 0.3521 -0.0931 0.0103  -0.0734 38  PRO A N     
297  C CA    . PRO A 40  ? 0.3624 1.1652 0.3781 -0.1090 0.0066  -0.0617 38  PRO A CA    
298  C C     . PRO A 40  ? 0.4310 1.2539 0.4362 -0.1123 0.0109  -0.0551 38  PRO A C     
299  O O     . PRO A 40  ? 0.4146 1.2390 0.4207 -0.1081 0.0120  -0.0558 38  PRO A O     
300  C CB    . PRO A 40  ? 0.3595 1.1504 0.3785 -0.1254 -0.0089 -0.0533 38  PRO A CB    
301  C CG    . PRO A 40  ? 0.3252 1.0889 0.3532 -0.1142 -0.0148 -0.0657 38  PRO A CG    
302  C CD    . PRO A 40  ? 0.3803 1.1488 0.4124 -0.0967 0.0009  -0.0764 38  PRO A CD    
303  N N     . ARG A 41  ? 0.4326 1.2714 0.4302 -0.1179 0.0109  -0.0508 39  ARG A N     
304  C CA    . ARG A 41  ? 0.4202 1.2807 0.4128 -0.1232 0.0109  -0.0461 39  ARG A CA    
305  C C     . ARG A 41  ? 0.4403 1.3141 0.4281 -0.1425 0.0090  -0.0353 39  ARG A C     
306  O O     . ARG A 41  ? 0.4307 1.3173 0.4187 -0.1411 0.0097  -0.0370 39  ARG A O     
307  C CB    . ARG A 41  ? 0.4491 1.3283 0.4360 -0.1307 0.0098  -0.0421 39  ARG A CB    
308  C CG    . ARG A 41  ? 0.4410 1.3394 0.4298 -0.1251 0.0110  -0.0465 39  ARG A CG    
309  C CD    . ARG A 41  ? 0.4124 1.3423 0.3926 -0.1474 0.0084  -0.0354 39  ARG A CD    
310  N NE    . ARG A 41  ? 0.4731 1.4145 0.4462 -0.1683 0.0065  -0.0246 39  ARG A NE    
311  C CZ    . ARG A 41  ? 0.5132 1.4558 0.4763 -0.1934 0.0032  -0.0088 39  ARG A CZ    
312  N NH1   . ARG A 41  ? 0.4985 1.4340 0.4578 -0.1999 0.0010  -0.0018 39  ARG A NH1   
313  N NH2   . ARG A 41  ? 0.4853 1.4352 0.4421 -0.2128 0.0019  0.0000  39  ARG A NH2   
314  N N     . HIS A 42  ? 0.6066 1.4747 0.5953 -0.1598 0.0052  -0.0255 40  HIS A N     
315  C CA    . HIS A 42  ? 0.6213 1.4941 0.6103 -0.1814 -0.0001 -0.0144 40  HIS A CA    
316  C C     . HIS A 42  ? 0.6121 1.4768 0.6101 -0.1704 0.0018  -0.0223 40  HIS A C     
317  O O     . HIS A 42  ? 0.6241 1.4981 0.6218 -0.1851 -0.0003 -0.0166 40  HIS A O     
318  C CB    . HIS A 42  ? 0.6381 1.4862 0.6271 -0.1996 -0.0187 -0.0042 40  HIS A CB    
319  C CG    . HIS A 42  ? 0.7429 1.5872 0.7286 -0.2253 -0.0290 0.0079  40  HIS A CG    
320  N ND1   . HIS A 42  ? 0.7121 1.5691 0.7052 -0.2262 -0.0218 0.0050  40  HIS A ND1   
321  C CD2   . HIS A 42  ? 0.8060 1.6304 0.7772 -0.2510 -0.0470 0.0230  40  HIS A CD2   
322  C CE1   . HIS A 42  ? 0.7494 1.5999 0.7387 -0.2527 -0.0333 0.0165  40  HIS A CE1   
323  N NE2   . HIS A 42  ? 0.8233 1.6534 0.7990 -0.2697 -0.0496 0.0284  40  HIS A NE2   
324  N N     . ALA A 43  ? 0.5324 1.3804 0.5374 -0.1469 0.0050  -0.0351 41  ALA A N     
325  C CA    . ALA A 43  ? 0.4999 1.3427 0.5112 -0.1372 0.0059  -0.0414 41  ALA A CA    
326  C C     . ALA A 43  ? 0.4704 1.3366 0.4755 -0.1366 0.0091  -0.0420 41  ALA A C     
327  O O     . ALA A 43  ? 0.5066 1.3793 0.5154 -0.1412 0.0082  -0.0419 41  ALA A O     
328  C CB    . ALA A 43  ? 0.4741 1.2976 0.4899 -0.1138 0.0089  -0.0537 41  ALA A CB    
329  N N     . LYS A 44  ? 0.4863 1.3666 0.4851 -0.1316 0.0107  -0.0439 42  LYS A N     
330  C CA    . LYS A 44  ? 0.4613 1.3650 0.4590 -0.1268 0.0113  -0.0486 42  LYS A CA    
331  C C     . LYS A 44  ? 0.4488 1.3473 0.4528 -0.1087 0.0117  -0.0571 42  LYS A C     
332  O O     . LYS A 44  ? 0.4380 1.3531 0.4421 -0.1130 0.0114  -0.0582 42  LYS A O     
333  C CB    . LYS A 44  ? 0.4489 1.3782 0.4403 -0.1513 0.0106  -0.0408 42  LYS A CB    
334  C CG    . LYS A 44  ? 0.4537 1.3961 0.4359 -0.1711 0.0095  -0.0313 42  LYS A CG    
335  C CD    . LYS A 44  ? 0.4527 1.4122 0.4352 -0.1594 0.0099  -0.0391 42  LYS A CD    
336  C CE    . LYS A 44  ? 0.4830 1.4534 0.4573 -0.1772 0.0083  -0.0298 42  LYS A CE    
337  N NZ    . LYS A 44  ? 0.5102 1.5006 0.4871 -0.1673 0.0088  -0.0382 42  LYS A NZ    
338  N N     . PRO A 45  ? 0.4404 1.3169 0.4497 -0.0889 0.0124  -0.0631 43  PRO A N     
339  C CA    . PRO A 45  ? 0.4173 1.2890 0.4310 -0.0729 0.0122  -0.0690 43  PRO A CA    
340  C C     . PRO A 45  ? 0.4014 1.2997 0.4154 -0.0645 0.0114  -0.0742 43  PRO A C     
341  O O     . PRO A 45  ? 0.3817 1.2926 0.3962 -0.0584 0.0117  -0.0778 43  PRO A O     
342  C CB    . PRO A 45  ? 0.3598 1.2055 0.3779 -0.0563 0.0143  -0.0730 43  PRO A CB    
343  C CG    . PRO A 45  ? 0.3089 1.1513 0.3259 -0.0599 0.0156  -0.0721 43  PRO A CG    
344  C CD    . PRO A 45  ? 0.3743 1.2294 0.3854 -0.0818 0.0137  -0.0646 43  PRO A CD    
345  N N     . GLY A 46  ? 0.3409 1.2491 0.3553 -0.0624 0.0102  -0.0765 44  GLY A N     
346  C CA    . GLY A 46  ? 0.3218 1.2584 0.3362 -0.0534 0.0089  -0.0834 44  GLY A CA    
347  C C     . GLY A 46  ? 0.3248 1.2576 0.3430 -0.0279 0.0082  -0.0894 44  GLY A C     
348  O O     . GLY A 46  ? 0.3493 1.2567 0.3702 -0.0193 0.0102  -0.0877 44  GLY A O     
349  N N     . PRO A 47  ? 0.3258 1.2845 0.3440 -0.0155 0.0060  -0.0969 45  PRO A N     
350  C CA    . PRO A 47  ? 0.3262 1.2817 0.3471 0.0103  0.0051  -0.1016 45  PRO A CA    
351  C C     . PRO A 47  ? 0.3207 1.2564 0.3415 0.0189  0.0052  -0.0978 45  PRO A C     
352  O O     . PRO A 47  ? 0.3296 1.2521 0.3513 0.0375  0.0069  -0.0977 45  PRO A O     
353  C CB    . PRO A 47  ? 0.3385 1.3325 0.3580 0.0202  0.0016  -0.1121 45  PRO A CB    
354  C CG    . PRO A 47  ? 0.3442 1.3614 0.3608 -0.0035 0.0022  -0.1132 45  PRO A CG    
355  C CD    . PRO A 47  ? 0.3365 1.3292 0.3519 -0.0241 0.0047  -0.1023 45  PRO A CD    
356  N N     . THR A 48  ? 0.3176 1.2521 0.3364 0.0058  0.0043  -0.0952 46  THR A N     
357  C CA    . THR A 48  ? 0.3130 1.2281 0.3316 0.0095  0.0045  -0.0920 46  THR A CA    
358  C C     . THR A 48  ? 0.3294 1.2236 0.3486 -0.0107 0.0063  -0.0873 46  THR A C     
359  O O     . THR A 48  ? 0.3327 1.2343 0.3509 -0.0281 0.0068  -0.0857 46  THR A O     
360  C CB    . THR A 48  ? 0.3262 1.2619 0.3417 0.0151  0.0011  -0.0962 46  THR A CB    
361  O OG1   . THR A 48  ? 0.3593 1.3092 0.3732 0.0395  -0.0014 -0.0999 46  THR A OG1   
362  C CG2   . THR A 48  ? 0.3108 1.2298 0.3257 0.0099  0.0012  -0.0940 46  THR A CG2   
363  N N     . ILE A 49  ? 0.3307 1.1999 0.3512 -0.0082 0.0079  -0.0854 47  ILE A N     
364  C CA    . ILE A 49  ? 0.3130 1.1660 0.3342 -0.0240 0.0084  -0.0841 47  ILE A CA    
365  C C     . ILE A 49  ? 0.3519 1.1985 0.3732 -0.0190 0.0074  -0.0870 47  ILE A C     
366  O O     . ILE A 49  ? 0.3247 1.1668 0.3453 -0.0042 0.0086  -0.0871 47  ILE A O     
367  C CB    . ILE A 49  ? 0.2984 1.1281 0.3214 -0.0287 0.0113  -0.0820 47  ILE A CB    
368  C CG1   . ILE A 49  ? 0.3179 1.1305 0.3419 -0.0126 0.0158  -0.0825 47  ILE A CG1   
369  C CG2   . ILE A 49  ? 0.3202 1.1602 0.3420 -0.0383 0.0114  -0.0791 47  ILE A CG2   
370  C CD1   . ILE A 49  ? 0.2803 1.0635 0.3056 -0.0161 0.0199  -0.0839 47  ILE A CD1   
371  N N     . LEU A 50  ? 0.3509 1.1972 0.3740 -0.0316 0.0064  -0.0891 48  LEU A N     
372  C CA    . LEU A 50  ? 0.3065 1.1447 0.3310 -0.0296 0.0056  -0.0940 48  LEU A CA    
373  C C     . LEU A 50  ? 0.3194 1.1336 0.3463 -0.0324 0.0074  -0.0956 48  LEU A C     
374  O O     . LEU A 50  ? 0.3409 1.1448 0.3731 -0.0446 0.0070  -0.0957 48  LEU A O     
375  C CB    . LEU A 50  ? 0.3218 1.1638 0.3547 -0.0416 0.0034  -0.0969 48  LEU A CB    
376  C CG    . LEU A 50  ? 0.3421 1.2065 0.3769 -0.0453 0.0023  -0.0959 48  LEU A CG    
377  C CD1   . LEU A 50  ? 0.3570 1.2155 0.4057 -0.0640 -0.0026 -0.0958 48  LEU A CD1   
378  C CD2   . LEU A 50  ? 0.2998 1.1817 0.3292 -0.0299 0.0017  -0.1011 48  LEU A CD2   
379  N N     . MET A 51  ? 0.3244 1.1287 0.3493 -0.0215 0.0098  -0.0965 49  MET A N     
380  C CA    . MET A 51  ? 0.3206 1.1022 0.3478 -0.0239 0.0132  -0.1006 49  MET A CA    
381  C C     . MET A 51  ? 0.3100 1.0925 0.3370 -0.0224 0.0124  -0.1081 49  MET A C     
382  O O     . MET A 51  ? 0.3361 1.1230 0.3586 -0.0125 0.0145  -0.1055 49  MET A O     
383  C CB    . MET A 51  ? 0.2769 1.0401 0.3012 -0.0152 0.0206  -0.0959 49  MET A CB    
384  C CG    . MET A 51  ? 0.2836 1.0218 0.3059 -0.0145 0.0274  -0.1003 49  MET A CG    
385  S SD    . MET A 51  ? 0.3771 1.0930 0.3901 -0.0023 0.0389  -0.0938 49  MET A SD    
386  C CE    . MET A 51  ? 0.2930 0.9794 0.3075 -0.0100 0.0459  -0.1015 49  MET A CE    
387  N N     . ASN A 52  ? 0.3157 1.0941 0.3476 -0.0314 0.0097  -0.1176 50  ASN A N     
388  C CA    . ASN A 52  ? 0.3202 1.1028 0.3528 -0.0306 0.0081  -0.1280 50  ASN A CA    
389  C C     . ASN A 52  ? 0.3341 1.1370 0.3635 -0.0260 0.0053  -0.1265 50  ASN A C     
390  O O     . ASN A 52  ? 0.3358 1.1499 0.3605 -0.0193 0.0046  -0.1289 50  ASN A O     
391  C CB    . ASN A 52  ? 0.2908 1.0619 0.3206 -0.0261 0.0137  -0.1298 50  ASN A CB    
392  C CG    . ASN A 52  ? 0.3226 1.0736 0.3564 -0.0318 0.0168  -0.1368 50  ASN A CG    
393  O OD1   . ASN A 52  ? 0.3323 1.0820 0.3722 -0.0378 0.0127  -0.1423 50  ASN A OD1   
394  N ND2   . ASN A 52  ? 0.3241 1.0559 0.3531 -0.0298 0.0256  -0.1363 50  ASN A ND2   
395  N N     . ASP A 53  ? 0.3368 1.1448 0.3711 -0.0301 0.0032  -0.1213 51  ASP A N     
396  C CA    . ASP A 53  ? 0.3265 1.1523 0.3614 -0.0272 0.0008  -0.1205 51  ASP A CA    
397  C C     . ASP A 53  ? 0.2877 1.1339 0.3092 -0.0135 0.0020  -0.1152 51  ASP A C     
398  O O     . ASP A 53  ? 0.2936 1.1582 0.3140 -0.0084 0.0008  -0.1161 51  ASP A O     
399  C CB    . ASP A 53  ? 0.3372 1.1626 0.3799 -0.0279 -0.0032 -0.1308 51  ASP A CB    
400  C CG    . ASP A 53  ? 0.4252 1.2257 0.4821 -0.0378 -0.0094 -0.1380 51  ASP A CG    
401  O OD1   . ASP A 53  ? 0.4149 1.2067 0.4844 -0.0462 -0.0183 -0.1387 51  ASP A OD1   
402  O OD2   . ASP A 53  ? 0.4518 1.2413 0.5074 -0.0372 -0.0069 -0.1438 51  ASP A OD2   
403  N N     . GLN A 54  ? 0.4662 1.0862 0.3543 0.1174  0.0901  -0.0964 52  GLN A N     
404  C CA    . GLN A 54  ? 0.4597 1.0956 0.3446 0.1202  0.0768  -0.0964 52  GLN A CA    
405  C C     . GLN A 54  ? 0.4303 1.0905 0.3343 0.1182  0.0617  -0.0956 52  GLN A C     
406  O O     . GLN A 54  ? 0.4109 1.0742 0.3307 0.1184  0.0601  -0.0880 52  GLN A O     
407  C CB    . GLN A 54  ? 0.4627 1.0906 0.3445 0.1279  0.0810  -0.0855 52  GLN A CB    
408  C CG    . GLN A 54  ? 0.4613 1.1025 0.3376 0.1319  0.0703  -0.0851 52  GLN A CG    
409  C CD    . GLN A 54  ? 0.5367 1.1621 0.3911 0.1370  0.0787  -0.0835 52  GLN A CD    
410  O OE1   . GLN A 54  ? 0.5136 1.1171 0.3529 0.1362  0.0926  -0.0861 52  GLN A OE1   
411  N NE2   . GLN A 54  ? 0.5813 1.2164 0.4321 0.1426  0.0716  -0.0794 52  GLN A NE2   
412  N N     . GLU A 55  ? 0.4288 1.1065 0.3310 0.1163  0.0511  -0.1035 53  GLU A N     
413  C CA    . GLU A 55  ? 0.4032 1.1040 0.3232 0.1149  0.0383  -0.1032 53  GLU A CA    
414  C C     . GLU A 55  ? 0.4112 1.1166 0.3396 0.1211  0.0335  -0.0921 53  GLU A C     
415  O O     . GLU A 55  ? 0.3957 1.1005 0.3160 0.1271  0.0333  -0.0885 53  GLU A O     
416  C CB    . GLU A 55  ? 0.4071 1.1271 0.3243 0.1132  0.0295  -0.1128 53  GLU A CB    
417  C CG    . GLU A 55  ? 0.4162 1.1394 0.3309 0.1051  0.0307  -0.1253 53  GLU A CG    
418  C CD    . GLU A 55  ? 0.4394 1.1831 0.3504 0.1035  0.0220  -0.1347 53  GLU A CD    
419  O OE1   . GLU A 55  ? 0.4148 1.1755 0.3327 0.1088  0.0138  -0.1303 53  GLU A OE1   
420  O OE2   . GLU A 55  ? 0.4837 1.2278 0.3864 0.0966  0.0237  -0.1467 53  GLU A OE2   
421  N N     . VAL A 56  ? 0.4531 1.1632 0.3964 0.1194  0.0298  -0.0871 54  VAL A N     
422  C CA    . VAL A 56  ? 0.4323 1.1475 0.3833 0.1236  0.0246  -0.0784 54  VAL A CA    
423  C C     . VAL A 56  ? 0.4066 1.1384 0.3704 0.1200  0.0146  -0.0807 54  VAL A C     
424  O O     . VAL A 56  ? 0.4169 1.1500 0.3855 0.1142  0.0142  -0.0849 54  VAL A O     
425  C CB    . VAL A 56  ? 0.3837 1.0841 0.3367 0.1250  0.0320  -0.0688 54  VAL A CB    
426  C CG1   . VAL A 56  ? 0.3466 1.0493 0.3020 0.1302  0.0295  -0.0607 54  VAL A CG1   
427  C CG2   . VAL A 56  ? 0.3723 1.0538 0.3149 0.1262  0.0453  -0.0682 54  VAL A CG2   
428  N N     . ALA A 57  ? 0.3974 1.1406 0.3657 0.1238  0.0077  -0.0779 55  ALA A N     
429  C CA    . ALA A 57  ? 0.3599 1.1171 0.3384 0.1212  -0.0007 -0.0798 55  ALA A CA    
430  C C     . ALA A 57  ? 0.3816 1.1315 0.3635 0.1193  -0.0012 -0.0736 55  ALA A C     
431  O O     . ALA A 57  ? 0.4058 1.1474 0.3849 0.1226  0.0018  -0.0667 55  ALA A O     
432  C CB    . ALA A 57  ? 0.3618 1.1342 0.3426 0.1269  -0.0062 -0.0797 55  ALA A CB    
433  N N     . VAL A 58  ? 0.3903 1.1442 0.3775 0.1139  -0.0049 -0.0764 56  VAL A N     
434  C CA    . VAL A 58  ? 0.3488 1.0975 0.3376 0.1112  -0.0056 -0.0716 56  VAL A CA    
435  C C     . VAL A 58  ? 0.3330 1.0869 0.3235 0.1120  -0.0107 -0.0719 56  VAL A C     
436  O O     . VAL A 58  ? 0.3825 1.1371 0.3748 0.1098  -0.0119 -0.0767 56  VAL A O     
437  C CB    . VAL A 58  ? 0.3252 1.0720 0.3162 0.1052  -0.0046 -0.0738 56  VAL A CB    
438  C CG1   . VAL A 58  ? 0.2925 1.0397 0.2849 0.1027  -0.0073 -0.0705 56  VAL A CG1   
439  C CG2   . VAL A 58  ? 0.3456 1.0811 0.3344 0.1047  0.0036  -0.0714 56  VAL A CG2   
440  N N     . LEU A 59  ? 0.3348 1.0851 0.3236 0.1142  -0.0101 -0.0665 57  LEU A N     
441  C CA    . LEU A 59  ? 0.3339 1.0808 0.3229 0.1141  -0.0109 -0.0669 57  LEU A CA    
442  C C     . LEU A 59  ? 0.3245 1.0672 0.3154 0.1080  -0.0110 -0.0682 57  LEU A C     
443  O O     . LEU A 59  ? 0.2867 1.0289 0.2784 0.1069  -0.0118 -0.0712 57  LEU A O     
444  C CB    . LEU A 59  ? 0.3516 1.0997 0.3380 0.1192  -0.0099 -0.0614 57  LEU A CB    
445  C CG    . LEU A 59  ? 0.3845 1.1366 0.3679 0.1270  -0.0089 -0.0587 57  LEU A CG    
446  C CD1   . LEU A 59  ? 0.4213 1.1665 0.4025 0.1305  -0.0041 -0.0524 57  LEU A CD1   
447  C CD2   . LEU A 59  ? 0.3808 1.1384 0.3644 0.1298  -0.0110 -0.0625 57  LEU A CD2   
448  N N     . ALA A 60  ? 0.3407 1.0828 0.3319 0.1048  -0.0101 -0.0659 58  ALA A N     
449  C CA    . ALA A 60  ? 0.3171 1.0581 0.3099 0.0995  -0.0102 -0.0669 58  ALA A CA    
450  C C     . ALA A 60  ? 0.3072 1.0502 0.3001 0.0970  -0.0092 -0.0641 58  ALA A C     
451  O O     . ALA A 60  ? 0.3001 1.0457 0.2917 0.0997  -0.0082 -0.0602 58  ALA A O     
452  C CB    . ALA A 60  ? 0.2730 1.0152 0.2655 0.0991  -0.0100 -0.0652 58  ALA A CB    
453  N N     . ALA A 61  ? 0.2824 1.0265 0.2767 0.0926  -0.0093 -0.0656 59  ALA A N     
454  C CA    . ALA A 61  ? 0.2986 1.0471 0.2927 0.0909  -0.0083 -0.0621 59  ALA A CA    
455  C C     . ALA A 61  ? 0.3144 1.0664 0.3093 0.0869  -0.0083 -0.0616 59  ALA A C     
456  O O     . ALA A 61  ? 0.2864 1.0387 0.2827 0.0847  -0.0088 -0.0662 59  ALA A O     
457  C CB    . ALA A 61  ? 0.2771 1.0278 0.2718 0.0910  -0.0080 -0.0652 59  ALA A CB    
458  N N     . LYS A 62  ? 0.3269 1.0842 0.3210 0.0862  -0.0077 -0.0558 60  LYS A N     
459  C CA    . LYS A 62  ? 0.3086 1.0736 0.3033 0.0827  -0.0076 -0.0542 60  LYS A CA    
460  C C     . LYS A 62  ? 0.3315 1.1040 0.3252 0.0833  -0.0063 -0.0476 60  LYS A C     
461  O O     . LYS A 62  ? 0.3322 1.1083 0.3246 0.0859  -0.0051 -0.0409 60  LYS A O     
462  C CB    . LYS A 62  ? 0.2869 1.0574 0.2815 0.0811  -0.0078 -0.0523 60  LYS A CB    
463  C CG    . LYS A 62  ? 0.2861 1.0512 0.2806 0.0828  -0.0083 -0.0556 60  LYS A CG    
464  C CD    . LYS A 62  ? 0.3371 1.1113 0.3319 0.0802  -0.0084 -0.0555 60  LYS A CD    
465  C CE    . LYS A 62  ? 0.3855 1.1570 0.3800 0.0828  -0.0085 -0.0578 60  LYS A CE    
466  N NZ    . LYS A 62  ? 0.4704 1.2520 0.4638 0.0822  -0.0074 -0.0535 60  LYS A NZ    
467  N N     . GLU A 63  ? 0.3109 1.0878 0.3053 0.0817  -0.0060 -0.0489 61  GLU A N     
468  C CA    . GLU A 63  ? 0.3273 1.1151 0.3208 0.0826  -0.0046 -0.0411 61  GLU A CA    
469  C C     . GLU A 63  ? 0.4292 1.2271 0.4226 0.0802  -0.0049 -0.0364 61  GLU A C     
470  O O     . GLU A 63  ? 0.4301 1.2310 0.4250 0.0770  -0.0058 -0.0412 61  GLU A O     
471  C CB    . GLU A 63  ? 0.3534 1.1387 0.3479 0.0816  -0.0015 -0.0432 61  GLU A CB    
472  C CG    . GLU A 63  ? 0.4642 1.2369 0.4599 0.0807  -0.0007 -0.0524 61  GLU A CG    
473  C CD    . GLU A 63  ? 0.5185 1.2838 0.5155 0.0791  0.0056  -0.0541 61  GLU A CD    
474  O OE1   . GLU A 63  ? 0.5005 1.2691 0.4974 0.0790  0.0099  -0.0481 61  GLU A OE1   
475  O OE2   . GLU A 63  ? 0.5391 1.2966 0.5375 0.0782  0.0067  -0.0613 61  GLU A OE2   
476  N N     . LEU A 64  ? 0.4812 1.0969 0.5429 0.1048  0.0281  0.0153  62  LEU A N     
477  C CA    . LEU A 64  ? 0.4697 1.1079 0.5172 0.1208  0.0181  0.0031  62  LEU A CA    
478  C C     . LEU A 64  ? 0.4802 1.1398 0.5067 0.1412  0.0234  0.0116  62  LEU A C     
479  O O     . LEU A 64  ? 0.4589 1.1105 0.4884 0.1383  0.0339  0.0308  62  LEU A O     
480  C CB    . LEU A 64  ? 0.4578 1.0883 0.5155 0.1084  0.0100  -0.0009 62  LEU A CB    
481  C CG    . LEU A 64  ? 0.4606 1.0837 0.5308 0.1020  -0.0038 -0.0189 62  LEU A CG    
482  C CD1   . LEU A 64  ? 0.3809 0.9914 0.4636 0.0891  -0.0110 -0.0205 62  LEU A CD1   
483  C CD2   . LEU A 64  ? 0.4715 1.1154 0.5319 0.1229  -0.0140 -0.0387 62  LEU A CD2   
484  N N     . ALA A 65  ? 0.5233 1.2098 0.5306 0.1627  0.0165  -0.0036 63  ALA A N     
485  C CA    . ALA A 65  ? 0.5936 1.3072 0.5753 0.1856  0.0192  0.0025  63  ALA A CA    
486  C C     . ALA A 65  ? 0.6243 1.3724 0.5872 0.2048  0.0043  -0.0241 63  ALA A C     
487  O O     . ALA A 65  ? 0.6172 1.3647 0.5878 0.2052  -0.0046 -0.0503 63  ALA A O     
488  C CB    . ALA A 65  ? 0.5693 1.2766 0.5445 0.1947  0.0324  0.0121  63  ALA A CB    
489  N N     . ASP A 66  ? 0.6770 1.4562 0.6202 0.2217  0.0011  -0.0180 64  ASP A N     
490  C CA    . ASP A 66  ? 0.7039 1.5046 0.6298 0.2354  -0.0134 -0.0454 64  ASP A CA    
491  C C     . ASP A 66  ? 0.7424 1.5414 0.6467 0.2493  -0.0138 -0.0661 64  ASP A C     
492  O O     . ASP A 66  ? 0.7514 1.5372 0.6583 0.2502  -0.0009 -0.0586 64  ASP A O     
493  C CB    . ASP A 66  ? 0.7263 1.5436 0.6398 0.2442  -0.0132 -0.0292 64  ASP A CB    
494  C CG    . ASP A 66  ? 0.7480 1.5803 0.6488 0.2612  0.0019  -0.0023 64  ASP A CG    
495  O OD1   . ASP A 66  ? 0.7373 1.5504 0.6456 0.2566  0.0142  0.0130  64  ASP A OD1   
496  O OD2   . ASP A 66  ? 0.7837 1.6356 0.6639 0.2754  0.0008  0.0034  64  ASP A OD2   
497  N N     . LYS A 67  ? 0.7633 1.5681 0.6473 0.2569  -0.0287 -0.0927 65  LYS A N     
498  C CA    . LYS A 67  ? 0.7826 1.5861 0.6464 0.2686  -0.0295 -0.1190 65  LYS A CA    
499  C C     . LYS A 67  ? 0.8005 1.6155 0.6406 0.2847  -0.0140 -0.1001 65  LYS A C     
500  O O     . LYS A 67  ? 0.7878 1.5947 0.6176 0.2918  -0.0051 -0.1109 65  LYS A O     
501  C CB    . LYS A 67  ? 0.7978 1.6022 0.6506 0.2684  -0.0514 -0.1560 65  LYS A CB    
502  C CG    . LYS A 67  ? 0.8263 1.6175 0.6796 0.2700  -0.0563 -0.1953 65  LYS A CG    
503  C CD    . LYS A 67  ? 0.8611 1.6449 0.7236 0.2610  -0.0807 -0.2320 65  LYS A CD    
504  C CE    . LYS A 67  ? 0.9049 1.6759 0.7710 0.2642  -0.0831 -0.2747 65  LYS A CE    
505  N NZ    . LYS A 67  ? 0.9289 1.6936 0.8072 0.2555  -0.1063 -0.3133 65  LYS A NZ    
506  N N     . ASP A 68  ? 0.7850 1.6181 0.6164 0.2910  -0.0099 -0.0729 66  ASP A N     
507  C CA    . ASP A 68  ? 0.7465 1.5889 0.5589 0.3055  0.0066  -0.0493 66  ASP A CA    
508  C C     . ASP A 68  ? 0.7595 1.5835 0.5940 0.2992  0.0257  -0.0176 66  ASP A C     
509  O O     . ASP A 68  ? 0.7207 1.5445 0.5446 0.3088  0.0417  0.0026  66  ASP A O     
510  C CB    . ASP A 68  ? 0.7834 1.6536 0.5795 0.3161  0.0042  -0.0313 66  ASP A CB    
511  C CG    . ASP A 68  ? 0.8711 1.7594 0.6283 0.3339  0.0071  -0.0373 66  ASP A CG    
512  O OD1   . ASP A 68  ? 0.8826 1.7719 0.6194 0.3352  -0.0057 -0.0745 66  ASP A OD1   
513  O OD2   . ASP A 68  ? 0.8319 1.7335 0.5790 0.3462  0.0220  -0.0060 66  ASP A OD2   
514  N N     . GLY A 69  ? 0.7741 1.5804 0.6389 0.2813  0.0241  -0.0142 67  GLY A N     
515  C CA    . GLY A 69  ? 0.7296 1.5079 0.6168 0.2683  0.0390  0.0058  67  GLY A CA    
516  C C     . GLY A 69  ? 0.6943 1.4618 0.6001 0.2582  0.0494  0.0401  67  GLY A C     
517  O O     . GLY A 69  ? 0.6707 1.4100 0.5950 0.2457  0.0630  0.0533  67  GLY A O     
518  N N     . THR A 70  ? 0.6531 1.4405 0.5579 0.2624  0.0447  0.0536  68  THR A N     
519  C CA    . THR A 70  ? 0.6316 1.4028 0.5564 0.2521  0.0570  0.0852  68  THR A CA    
520  C C     . THR A 70  ? 0.6043 1.3507 0.5549 0.2263  0.0523  0.0805  68  THR A C     
521  O O     . THR A 70  ? 0.5794 1.3319 0.5301 0.2203  0.0374  0.0570  68  THR A O     
522  C CB    . THR A 70  ? 0.6788 1.4818 0.5946 0.2697  0.0582  0.1081  68  THR A CB    
523  O OG1   . THR A 70  ? 0.6426 1.4292 0.5828 0.2558  0.0650  0.1313  68  THR A OG1   
524  C CG2   . THR A 70  ? 0.5764 1.4217 0.4731 0.2851  0.0402  0.0867  68  THR A CG2   
525  N N     . ASN A 71  ? 0.6248 1.3397 0.5997 0.2100  0.0669  0.1003  69  ASN A N     
526  C CA    . ASN A 71  ? 0.5771 1.2596 0.5792 0.1826  0.0663  0.0927  69  ASN A CA    
527  C C     . ASN A 71  ? 0.5417 1.2326 0.5492 0.1762  0.0557  0.0898  69  ASN A C     
528  O O     . ASN A 71  ? 0.5301 1.2358 0.5367 0.1850  0.0586  0.1077  69  ASN A O     
529  C CB    . ASN A 71  ? 0.5635 1.2112 0.5928 0.1675  0.0855  0.1088  69  ASN A CB    
530  C CG    . ASN A 71  ? 0.5413 1.1572 0.5985 0.1394  0.0853  0.0981  69  ASN A CG    
531  O OD1   . ASN A 71  ? 0.5298 1.1233 0.6109 0.1263  0.0966  0.1067  69  ASN A OD1   
532  N ND2   . ASN A 71  ? 0.5302 1.1444 0.5857 0.1308  0.0733  0.0787  69  ASN A ND2   
533  N N     . LEU A 72  ? 0.5074 1.1881 0.5234 0.1608  0.0447  0.0691  70  LEU A N     
534  C CA    . LEU A 72  ? 0.4936 1.1753 0.5206 0.1511  0.0362  0.0644  70  LEU A CA    
535  C C     . LEU A 72  ? 0.4383 1.0807 0.4974 0.1257  0.0458  0.0716  70  LEU A C     
536  O O     . LEU A 72  ? 0.4026 1.0412 0.4763 0.1179  0.0431  0.0732  70  LEU A O     
537  C CB    . LEU A 72  ? 0.5107 1.2010 0.5324 0.1493  0.0191  0.0358  70  LEU A CB    
538  C CG    . LEU A 72  ? 0.4716 1.2026 0.4657 0.1741  0.0072  0.0201  70  LEU A CG    
539  C CD1   . LEU A 72  ? 0.4698 1.1947 0.4688 0.1700  -0.0092 -0.0120 70  LEU A CD1   
540  C CD2   . LEU A 72  ? 0.4222 1.1738 0.4130 0.1820  0.0029  0.0296  70  LEU A CD2   
541  N N     . GLU A 73  ? 0.4456 1.0601 0.5172 0.1139  0.0575  0.0742  71  GLU A N     
542  C CA    . GLU A 73  ? 0.4426 1.0203 0.5433 0.0911  0.0693  0.0759  71  GLU A CA    
543  C C     . GLU A 73  ? 0.4158 0.9760 0.5274 0.0705  0.0612  0.0592  71  GLU A C     
544  O O     . GLU A 73  ? 0.3840 0.9172 0.5173 0.0526  0.0698  0.0573  71  GLU A O     
545  C CB    . GLU A 73  ? 0.3851 0.9541 0.5043 0.0900  0.0813  0.0913  71  GLU A CB    
546  C CG    . GLU A 73  ? 0.4428 0.9981 0.5731 0.0922  0.1007  0.1044  71  GLU A CG    
547  C CD    . GLU A 73  ? 0.5438 1.0625 0.7017 0.0684  0.1139  0.0920  71  GLU A CD    
548  O OE1   . GLU A 73  ? 0.5450 1.0494 0.7217 0.0658  0.1324  0.0991  71  GLU A OE1   
549  O OE2   . GLU A 73  ? 0.5661 1.0723 0.7279 0.0522  0.1065  0.0749  71  GLU A OE2   
550  N N     . LEU A 74  ? 0.4224 0.9962 0.5204 0.0729  0.0467  0.0461  72  LEU A N     
551  C CA    . LEU A 74  ? 0.3973 0.9567 0.5040 0.0555  0.0391  0.0334  72  LEU A CA    
552  C C     . LEU A 74  ? 0.4217 0.9828 0.5225 0.0546  0.0358  0.0270  72  LEU A C     
553  O O     . LEU A 74  ? 0.4229 1.0026 0.5101 0.0711  0.0335  0.0259  72  LEU A O     
554  C CB    . LEU A 74  ? 0.3932 0.9649 0.4974 0.0584  0.0251  0.0236  72  LEU A CB    
555  C CG    . LEU A 74  ? 0.3524 0.9261 0.4667 0.0590  0.0256  0.0297  72  LEU A CG    
556  C CD1   . LEU A 74  ? 0.3143 0.8999 0.4284 0.0627  0.0088  0.0163  72  LEU A CD1   
557  C CD2   . LEU A 74  ? 0.3487 0.8914 0.4859 0.0388  0.0364  0.0333  72  LEU A CD2   
558  N N     . THR A 75  ? 0.4199 0.9631 0.5314 0.0364  0.0365  0.0233  73  THR A N     
559  C CA    . THR A 75  ? 0.3582 0.9059 0.4676 0.0340  0.0312  0.0187  73  THR A CA    
560  C C     . THR A 75  ? 0.3241 0.8678 0.4366 0.0242  0.0209  0.0113  73  THR A C     
561  O O     . THR A 75  ? 0.3476 0.8757 0.4671 0.0093  0.0222  0.0105  73  THR A O     
562  C CB    . THR A 75  ? 0.3673 0.9039 0.4862 0.0226  0.0399  0.0222  73  THR A CB    
563  O OG1   . THR A 75  ? 0.4009 0.9325 0.5252 0.0282  0.0529  0.0294  73  THR A OG1   
564  C CG2   . THR A 75  ? 0.3533 0.9033 0.4706 0.0265  0.0352  0.0215  73  THR A CG2   
565  N N     . LEU A 76  ? 0.3018 0.8576 0.4124 0.0334  0.0123  0.0060  74  LEU A N     
566  C CA    . LEU A 76  ? 0.3046 0.8554 0.4240 0.0266  0.0027  0.0009  74  LEU A CA    
567  C C     . LEU A 76  ? 0.3646 0.9177 0.4888 0.0212  0.0021  0.0062  74  LEU A C     
568  O O     . LEU A 76  ? 0.3736 0.9389 0.4984 0.0329  0.0026  0.0074  74  LEU A O     
569  C CB    . LEU A 76  ? 0.2958 0.8562 0.4181 0.0423  -0.0075 -0.0098 74  LEU A CB    
570  C CG    . LEU A 76  ? 0.3702 0.9226 0.4997 0.0389  -0.0156 -0.0173 74  LEU A CG    
571  C CD1   . LEU A 76  ? 0.3602 0.9126 0.4824 0.0374  -0.0087 -0.0130 74  LEU A CD1   
572  C CD2   . LEU A 76  ? 0.4113 0.9740 0.5442 0.0557  -0.0278 -0.0324 74  LEU A CD2   
573  N N     . LEU A 77  ? 0.3557 0.8999 0.4835 0.0045  0.0011  0.0097  75  LEU A N     
574  C CA    . LEU A 77  ? 0.3396 0.8919 0.4706 -0.0006 -0.0005 0.0169  75  LEU A CA    
575  C C     . LEU A 77  ? 0.3480 0.8987 0.4879 -0.0081 -0.0085 0.0208  75  LEU A C     
576  O O     . LEU A 77  ? 0.3751 0.9143 0.5158 -0.0173 -0.0095 0.0184  75  LEU A O     
577  C CB    . LEU A 77  ? 0.3210 0.8721 0.4450 -0.0133 0.0070  0.0193  75  LEU A CB    
578  C CG    . LEU A 77  ? 0.3029 0.8392 0.4224 -0.0300 0.0119  0.0155  75  LEU A CG    
579  C CD1   . LEU A 77  ? 0.2949 0.8361 0.4134 -0.0403 0.0165  0.0153  75  LEU A CD1   
580  C CD2   . LEU A 77  ? 0.3426 0.8651 0.4637 -0.0256 0.0184  0.0112  75  LEU A CD2   
581  N N     . LYS A 78  ? 0.3587 0.9220 0.5088 -0.0033 -0.0137 0.0288  76  LYS A N     
582  C CA    . LYS A 78  ? 0.3600 0.9260 0.5230 -0.0081 -0.0217 0.0377  76  LYS A CA    
583  C C     . LYS A 78  ? 0.3609 0.9411 0.5156 -0.0204 -0.0208 0.0493  76  LYS A C     
584  O O     . LYS A 78  ? 0.3455 0.9400 0.5025 -0.0152 -0.0205 0.0548  76  LYS A O     
585  C CB    . LYS A 78  ? 0.3618 0.9340 0.5491 0.0088  -0.0297 0.0402  76  LYS A CB    
586  C CG    . LYS A 78  ? 0.3657 0.9430 0.5724 0.0050  -0.0376 0.0540  76  LYS A CG    
587  C CD    . LYS A 78  ? 0.3918 0.9753 0.6302 0.0234  -0.0443 0.0570  76  LYS A CD    
588  C CE    . LYS A 78  ? 0.4743 1.0606 0.7399 0.0212  -0.0515 0.0713  76  LYS A CE    
589  N NZ    . LYS A 78  ? 0.5131 1.1110 0.8134 0.0380  -0.0557 0.0840  76  LYS A NZ    
590  N N     . LEU A 79  ? 0.4124 0.9914 0.5585 -0.0362 -0.0206 0.0526  77  LEU A N     
591  C CA    . LEU A 79  ? 0.3835 0.9799 0.5155 -0.0506 -0.0199 0.0604  77  LEU A CA    
592  C C     . LEU A 79  ? 0.3978 1.0133 0.5403 -0.0514 -0.0284 0.0798  77  LEU A C     
593  O O     . LEU A 79  ? 0.4255 1.0345 0.5831 -0.0486 -0.0327 0.0856  77  LEU A O     
594  C CB    . LEU A 79  ? 0.3200 0.9068 0.4342 -0.0676 -0.0135 0.0510  77  LEU A CB    
595  C CG    . LEU A 79  ? 0.3174 0.8836 0.4262 -0.0672 -0.0051 0.0350  77  LEU A CG    
596  C CD1   . LEU A 79  ? 0.3385 0.8887 0.4407 -0.0801 -0.0002 0.0274  77  LEU A CD1   
597  C CD2   . LEU A 79  ? 0.2927 0.8683 0.3949 -0.0705 -0.0009 0.0305  77  LEU A CD2   
598  N N     . ASN A 80  ? 0.3699 1.0113 0.5068 -0.0557 -0.0309 0.0910  78  ASN A N     
599  C CA    . ASN A 80  ? 0.3904 1.0566 0.5361 -0.0564 -0.0390 0.1145  78  ASN A CA    
600  C C     . ASN A 80  ? 0.4051 1.0846 0.5289 -0.0764 -0.0373 0.1183  78  ASN A C     
601  O O     . ASN A 80  ? 0.4218 1.1217 0.5238 -0.0903 -0.0349 0.1148  78  ASN A O     
602  C CB    . ASN A 80  ? 0.3972 1.0881 0.5476 -0.0515 -0.0426 0.1245  78  ASN A CB    
603  C CG    . ASN A 80  ? 0.4097 1.1356 0.5602 -0.0578 -0.0501 0.1502  78  ASN A CG    
604  O OD1   . ASN A 80  ? 0.3670 1.1155 0.4937 -0.0757 -0.0487 0.1510  78  ASN A OD1   
605  N ND2   . ASN A 80  ? 0.4100 1.1432 0.5883 -0.0424 -0.0577 0.1715  78  ASN A ND2   
606  N N     . ARG A 81  ? 0.4818 1.1505 0.6126 -0.0788 -0.0379 0.1226  79  ARG A N     
607  C CA    . ARG A 81  ? 0.5578 1.2424 0.6693 -0.0977 -0.0358 0.1283  79  ARG A CA    
608  C C     . ARG A 81  ? 0.6486 1.3302 0.7809 -0.0961 -0.0390 0.1447  79  ARG A C     
609  O O     . ARG A 81  ? 0.6112 1.2674 0.7705 -0.0837 -0.0401 0.1402  79  ARG A O     
610  C CB    . ARG A 81  ? 0.5122 1.1790 0.5999 -0.1110 -0.0262 0.1022  79  ARG A CB    
611  C CG    . ARG A 81  ? 0.4663 1.0934 0.5655 -0.1027 -0.0210 0.0835  79  ARG A CG    
612  C CD    . ARG A 81  ? 0.4386 1.0506 0.5184 -0.1133 -0.0118 0.0610  79  ARG A CD    
613  N NE    . ARG A 81  ? 0.4876 1.0949 0.5567 -0.1286 -0.0069 0.0556  79  ARG A NE    
614  C CZ    . ARG A 81  ? 0.4802 1.0660 0.5627 -0.1280 -0.0041 0.0549  79  ARG A CZ    
615  N NH1   . ARG A 81  ? 0.4723 1.0405 0.5791 -0.1137 -0.0069 0.0571  79  ARG A NH1   
616  N NH2   . ARG A 81  ? 0.4764 1.0595 0.5495 -0.1425 0.0018  0.0505  79  ARG A NH2   
617  N N     . ASN A 82  ? 0.8043 1.5160 0.9248 -0.1098 -0.0403 0.1640  80  ASN A N     
618  C CA    . ASN A 82  ? 0.8100 1.5281 0.9538 -0.1093 -0.0427 0.1883  80  ASN A CA    
619  C C     . ASN A 82  ? 0.8186 1.5064 0.9668 -0.1173 -0.0341 0.1718  80  ASN A C     
620  O O     . ASN A 82  ? 0.8336 1.5101 1.0154 -0.1120 -0.0338 0.1836  80  ASN A O     
621  C CB    . ASN A 82  ? 0.8343 1.6024 0.9620 -0.1213 -0.0465 0.2185  80  ASN A CB    
622  C CG    . ASN A 82  ? 0.8681 1.6668 0.9824 -0.1185 -0.0520 0.2267  80  ASN A CG    
623  O OD1   . ASN A 82  ? 0.8862 1.6962 1.0253 -0.1034 -0.0594 0.2518  80  ASN A OD1   
624  N ND2   . ASN A 82  ? 0.8958 1.7055 0.9756 -0.1329 -0.0472 0.2045  80  ASN A ND2   
625  N N     . GLU A 83  ? 0.6557 1.3284 0.7755 -0.1294 -0.0261 0.1450  81  GLU A N     
626  C CA    . GLU A 83  ? 0.6290 1.2675 0.7552 -0.1349 -0.0168 0.1277  81  GLU A CA    
627  C C     . GLU A 83  ? 0.6136 1.2163 0.7638 -0.1196 -0.0170 0.1098  81  GLU A C     
628  O O     . GLU A 83  ? 0.6034 1.1983 0.7447 -0.1116 -0.0181 0.0956  81  GLU A O     
629  C CB    . GLU A 83  ? 0.6316 1.2656 0.7240 -0.1510 -0.0083 0.1063  81  GLU A CB    
630  C CG    . GLU A 83  ? 0.6568 1.3346 0.7212 -0.1675 -0.0106 0.1196  81  GLU A CG    
631  C CD    . GLU A 83  ? 0.6704 1.3404 0.7100 -0.1852 -0.0009 0.0966  81  GLU A CD    
632  O OE1   . GLU A 83  ? 0.6833 1.3133 0.7271 -0.1835 0.0083  0.0713  81  GLU A OE1   
633  O OE2   . GLU A 83  ? 0.6941 1.3998 0.7133 -0.2004 -0.0024 0.1048  81  GLU A OE2   
634  N N     . LYS A 84  ? 0.5693 1.1537 0.7513 -0.1159 -0.0161 0.1111  82  LYS A N     
635  C CA    . LYS A 84  ? 0.4733 1.0298 0.6779 -0.1036 -0.0180 0.0924  82  LYS A CA    
636  C C     . LYS A 84  ? 0.4859 1.0149 0.6824 -0.1108 -0.0085 0.0711  82  LYS A C     
637  O O     . LYS A 84  ? 0.4832 1.0086 0.6677 -0.1247 0.0008  0.0712  82  LYS A O     
638  C CB    . LYS A 84  ? 0.4428 0.9969 0.6929 -0.0955 -0.0239 0.1026  82  LYS A CB    
639  C CG    . LYS A 84  ? 0.4057 0.9791 0.6761 -0.0816 -0.0337 0.1211  82  LYS A CG    
640  C CD    . LYS A 84  ? 0.3765 0.9422 0.7009 -0.0725 -0.0383 0.1270  82  LYS A CD    
641  C CE    . LYS A 84  ? 0.4414 1.0286 0.7942 -0.0659 -0.0414 0.1626  82  LYS A CE    
642  N NZ    . LYS A 84  ? 0.5218 1.0900 0.9017 -0.0714 -0.0340 0.1810  82  LYS A NZ    
643  N N     . PHE A 85  ? 0.4962 1.0070 0.7001 -0.0999 -0.0106 0.0538  83  PHE A N     
644  C CA    . PHE A 85  ? 0.4534 0.9398 0.6570 -0.1025 -0.0034 0.0371  83  PHE A CA    
645  C C     . PHE A 85  ? 0.4460 0.9186 0.6843 -0.1029 -0.0046 0.0337  83  PHE A C     
646  O O     . PHE A 85  ? 0.4196 0.8981 0.6869 -0.0960 -0.0142 0.0371  83  PHE A O     
647  C CB    . PHE A 85  ? 0.3803 0.8604 0.5771 -0.0900 -0.0060 0.0251  83  PHE A CB    
648  C CG    . PHE A 85  ? 0.3717 0.8592 0.5392 -0.0913 -0.0015 0.0245  83  PHE A CG    
649  C CD1   . PHE A 85  ? 0.3458 0.8229 0.4970 -0.1011 0.0091  0.0175  83  PHE A CD1   
650  C CD2   . PHE A 85  ? 0.3911 0.8946 0.5525 -0.0818 -0.0077 0.0293  83  PHE A CD2   
651  C CE1   . PHE A 85  ? 0.3027 0.7863 0.4335 -0.1029 0.0124  0.0142  83  PHE A CE1   
652  C CE2   . PHE A 85  ? 0.3720 0.8827 0.5115 -0.0835 -0.0036 0.0277  83  PHE A CE2   
653  C CZ    . PHE A 85  ? 0.3527 0.8540 0.4776 -0.0947 0.0059  0.0196  83  PHE A CZ    
654  N N     . ARG A 86  ? 0.4520 0.9058 0.6921 -0.1103 0.0051  0.0256  84  ARG A N     
655  C CA    . ARG A 86  ? 0.4165 0.8564 0.6925 -0.1096 0.0033  0.0194  84  ARG A CA    
656  C C     . ARG A 86  ? 0.3985 0.8381 0.6871 -0.0950 -0.0095 0.0080  84  ARG A C     
657  O O     . ARG A 86  ? 0.3753 0.8120 0.6453 -0.0887 -0.0083 0.0017  84  ARG A O     
658  C CB    . ARG A 86  ? 0.3965 0.8162 0.6750 -0.1177 0.0164  0.0140  84  ARG A CB    
659  C CG    . ARG A 86  ? 0.3558 0.7637 0.6758 -0.1147 0.0117  0.0069  84  ARG A CG    
660  C CD    . ARG A 86  ? 0.3003 0.6886 0.6322 -0.1198 0.0239  0.0043  84  ARG A CD    
661  N NE    . ARG A 86  ? 0.2731 0.6548 0.5838 -0.1161 0.0303  0.0008  84  ARG A NE    
662  C CZ    . ARG A 86  ? 0.2455 0.6141 0.5724 -0.1152 0.0368  0.0002  84  ARG A CZ    
663  N NH1   . ARG A 86  ? 0.2982 0.6604 0.6603 -0.1171 0.0353  0.0035  84  ARG A NH1   
664  N NH2   . ARG A 86  ? 0.2239 0.5871 0.5348 -0.1124 0.0450  -0.0009 84  ARG A NH2   
665  N N     . ASP A 87  ? 0.4156 0.8593 0.7379 -0.0900 -0.0213 0.0050  85  ASP A N     
666  C CA    . ASP A 87  ? 0.3689 0.8159 0.7033 -0.0756 -0.0364 -0.0081 85  ASP A CA    
667  C C     . ASP A 87  ? 0.3498 0.7852 0.6904 -0.0746 -0.0374 -0.0174 85  ASP A C     
668  O O     . ASP A 87  ? 0.3257 0.7535 0.6978 -0.0800 -0.0402 -0.0199 85  ASP A O     
669  C CB    . ASP A 87  ? 0.3454 0.7999 0.7199 -0.0729 -0.0482 -0.0107 85  ASP A CB    
670  C CG    . ASP A 87  ? 0.3601 0.8214 0.7386 -0.0566 -0.0640 -0.0266 85  ASP A CG    
671  O OD1   . ASP A 87  ? 0.3673 0.8280 0.7162 -0.0475 -0.0657 -0.0337 85  ASP A OD1   
672  O OD2   . ASP A 87  ? 0.3543 0.8220 0.7668 -0.0525 -0.0728 -0.0335 85  ASP A OD2   
673  N N     . ILE A 88  ? 0.3318 0.7678 0.6453 -0.0682 -0.0340 -0.0196 86  ILE A N     
674  C CA    . ILE A 88  ? 0.3338 0.7648 0.6541 -0.0656 -0.0344 -0.0243 86  ILE A CA    
675  C C     . ILE A 88  ? 0.3795 0.8219 0.7014 -0.0509 -0.0516 -0.0355 86  ILE A C     
676  O O     . ILE A 88  ? 0.3754 0.8218 0.6950 -0.0451 -0.0534 -0.0376 86  ILE A O     
677  C CB    . ILE A 88  ? 0.3241 0.7513 0.6207 -0.0674 -0.0190 -0.0191 86  ILE A CB    
678  C CG1   . ILE A 88  ? 0.3739 0.8102 0.6388 -0.0634 -0.0159 -0.0162 86  ILE A CG1   
679  C CG2   . ILE A 88  ? 0.3234 0.7341 0.6279 -0.0815 -0.0032 -0.0134 86  ILE A CG2   
680  C CD1   . ILE A 88  ? 0.3593 0.7952 0.6026 -0.0621 -0.0040 -0.0133 86  ILE A CD1   
681  N N     . ARG A 89  ? 0.3848 0.8343 0.7106 -0.0440 -0.0638 -0.0431 87  ARG A N     
682  C CA    . ARG A 89  ? 0.3594 0.8195 0.6785 -0.0287 -0.0788 -0.0581 87  ARG A CA    
683  C C     . ARG A 89  ? 0.3868 0.8452 0.7270 -0.0289 -0.0903 -0.0678 87  ARG A C     
684  O O     . ARG A 89  ? 0.4177 0.8868 0.7453 -0.0174 -0.0998 -0.0772 87  ARG A O     
685  C CB    . ARG A 89  ? 0.3663 0.8323 0.6904 -0.0215 -0.0872 -0.0673 87  ARG A CB    
686  C CG    . ARG A 89  ? 0.3771 0.8517 0.6731 -0.0150 -0.0790 -0.0590 87  ARG A CG    
687  C CD    . ARG A 89  ? 0.3659 0.8490 0.6731 -0.0056 -0.0868 -0.0674 87  ARG A CD    
688  N NE    . ARG A 89  ? 0.3688 0.8489 0.7104 -0.0157 -0.0861 -0.0601 87  ARG A NE    
689  C CZ    . ARG A 89  ? 0.3833 0.8719 0.7484 -0.0091 -0.0903 -0.0632 87  ARG A CZ    
690  N NH1   . ARG A 89  ? 0.3728 0.8708 0.7300 0.0079  -0.0958 -0.0764 87  ARG A NH1   
691  N NH2   . ARG A 89  ? 0.3578 0.8440 0.7577 -0.0185 -0.0873 -0.0523 87  ARG A NH2   
692  N N     . GLY A 90  ? 0.3593 0.8071 0.7303 -0.0419 -0.0889 -0.0644 88  GLY A N     
693  C CA    . GLY A 90  ? 0.3266 0.7746 0.7155 -0.0428 -0.0979 -0.0711 88  GLY A CA    
694  C C     . GLY A 90  ? 0.3158 0.7693 0.6965 -0.0406 -0.0926 -0.0610 88  GLY A C     
695  O O     . GLY A 90  ? 0.3907 0.8511 0.7844 -0.0381 -0.1026 -0.0654 88  GLY A O     
696  N N     . PHE A 91  ? 0.3087 0.7604 0.6711 -0.0413 -0.0766 -0.0489 89  PHE A N     
697  C CA    . PHE A 91  ? 0.3315 0.7854 0.6978 -0.0416 -0.0668 -0.0390 89  PHE A CA    
698  C C     . PHE A 91  ? 0.3191 0.7914 0.6608 -0.0266 -0.0687 -0.0389 89  PHE A C     
699  O O     . PHE A 91  ? 0.2807 0.7595 0.6321 -0.0245 -0.0626 -0.0305 89  PHE A O     
700  C CB    . PHE A 91  ? 0.3454 0.7828 0.7112 -0.0542 -0.0437 -0.0276 89  PHE A CB    
701  C CG    . PHE A 91  ? 0.3436 0.7656 0.7371 -0.0687 -0.0380 -0.0218 89  PHE A CG    
702  C CD1   . PHE A 91  ? 0.3028 0.7096 0.7016 -0.0786 -0.0178 -0.0119 89  PHE A CD1   
703  C CD2   . PHE A 91  ? 0.3249 0.7490 0.7357 -0.0725 -0.0515 -0.0259 89  PHE A CD2   
704  C CE1   . PHE A 91  ? 0.2846 0.6816 0.7009 -0.0910 -0.0119 -0.0028 89  PHE A CE1   
705  C CE2   . PHE A 91  ? 0.3038 0.7209 0.7311 -0.0867 -0.0440 -0.0183 89  PHE A CE2   
706  C CZ    . PHE A 91  ? 0.3211 0.7267 0.7471 -0.0960 -0.0247 -0.0047 89  PHE A CZ    
707  N N     . LEU A 92  ? 0.3812 0.9695 0.4836 0.1178  -0.0659 -0.2029 90  LEU A N     
708  C CA    . LEU A 92  ? 0.4088 1.0040 0.4958 0.1236  -0.0552 -0.2189 90  LEU A CA    
709  C C     . LEU A 92  ? 0.4542 1.0414 0.5466 0.1332  -0.0618 -0.2289 90  LEU A C     
710  O O     . LEU A 92  ? 0.4697 1.0434 0.5824 0.1388  -0.0781 -0.2321 90  LEU A O     
711  C CB    . LEU A 92  ? 0.3697 0.9746 0.4571 0.1232  -0.0550 -0.2271 90  LEU A CB    
712  C CG    . LEU A 92  ? 0.3567 0.9561 0.4696 0.1304  -0.0700 -0.2315 90  LEU A CG    
713  C CD1   . LEU A 92  ? 0.3528 0.9715 0.4666 0.1251  -0.0665 -0.2301 90  LEU A CD1   
714  C CD2   . LEU A 92  ? 0.3258 0.9100 0.4608 0.1257  -0.0881 -0.2163 90  LEU A CD2   
715  N N     . ALA A 93  ? 0.4541 1.0525 0.5279 0.1331  -0.0528 -0.2340 91  ALA A N     
716  C CA    . ALA A 93  ? 0.4739 1.0771 0.5497 0.1388  -0.0570 -0.2416 91  ALA A CA    
717  C C     . ALA A 93  ? 0.5255 1.1393 0.6030 0.1514  -0.0631 -0.2702 91  ALA A C     
718  O O     . ALA A 93  ? 0.5136 1.1295 0.5912 0.1508  -0.0631 -0.2740 91  ALA A O     
719  C CB    . ALA A 93  ? 0.4841 1.1025 0.5427 0.1313  -0.0474 -0.2315 91  ALA A CB    
720  N N     . LYS A 94  ? 0.5731 1.1907 0.6628 0.1584  -0.0728 -0.2809 92  LYS A N     
721  C CA    . LYS A 94  ? 0.5704 1.2058 0.6688 0.1733  -0.0789 -0.3119 92  LYS A CA    
722  C C     . LYS A 94  ? 0.5551 1.2178 0.6527 0.1659  -0.0688 -0.3031 92  LYS A C     
723  O O     . LYS A 94  ? 0.5415 1.2240 0.6449 0.1699  -0.0775 -0.3173 92  LYS A O     
724  C CB    . LYS A 94  ? 0.5441 1.1667 0.6510 0.1744  -0.1010 -0.3208 92  LYS A CB    
725  C CG    . LYS A 94  ? 0.5655 1.1476 0.6897 0.1722  -0.1254 -0.3136 92  LYS A CG    
726  C CD    . LYS A 94  ? 0.5504 1.1122 0.6765 0.1761  -0.1531 -0.3378 92  LYS A CD    
727  C CE    . LYS A 94  ? 0.5553 1.1143 0.7068 0.1996  -0.1657 -0.3742 92  LYS A CE    
728  N NZ    . LYS A 94  ? 0.5630 1.0778 0.7325 0.1976  -0.2014 -0.3786 92  LYS A NZ    
729  N N     . GLU A 95  ? 0.6079 1.2818 0.6931 0.1543  -0.0594 -0.2850 93  GLU A N     
730  C CA    . GLU A 95  ? 0.6033 1.3060 0.6855 0.1437  -0.0550 -0.2735 93  GLU A CA    
731  C C     . GLU A 95  ? 0.5904 1.2746 0.6526 0.1275  -0.0495 -0.2450 93  GLU A C     
732  O O     . GLU A 95  ? 0.6246 1.2863 0.6757 0.1274  -0.0434 -0.2377 93  GLU A O     
733  C CB    . GLU A 95  ? 0.6202 1.3655 0.6999 0.1446  -0.0533 -0.2855 93  GLU A CB    
734  C CG    . GLU A 95  ? 0.6640 1.3901 0.7280 0.1503  -0.0659 -0.3140 93  GLU A CG    
735  C CD    . GLU A 95  ? 0.6801 1.3623 0.7370 0.1490  -0.0838 -0.3156 93  GLU A CD    
736  O OE1   . GLU A 95  ? 0.7292 1.3831 0.7685 0.1489  -0.1006 -0.3374 93  GLU A OE1   
737  O OE2   . GLU A 95  ? 0.6510 1.3213 0.7177 0.1456  -0.0833 -0.2937 93  GLU A OE2   
738  N N     . GLU A 96  ? 0.4932 1.1972 0.5508 0.1194  -0.0432 -0.2347 94  GLU A N     
739  C CA    . GLU A 96  ? 0.4486 1.1423 0.4939 0.1095  -0.0360 -0.2142 94  GLU A CA    
740  C C     . GLU A 96  ? 0.4671 1.1617 0.5049 0.1083  -0.0319 -0.2022 94  GLU A C     
741  O O     . GLU A 96  ? 0.4995 1.2145 0.5365 0.1108  -0.0308 -0.2055 94  GLU A O     
742  C CB    . GLU A 96  ? 0.4122 1.1351 0.4551 0.1022  -0.0314 -0.2071 94  GLU A CB    
743  C CG    . GLU A 96  ? 0.4104 1.1536 0.4614 0.1075  -0.0343 -0.2233 94  GLU A CG    
744  C CD    . GLU A 96  ? 0.3648 1.1514 0.4126 0.1011  -0.0296 -0.2189 94  GLU A CD    
745  O OE1   . GLU A 96  ? 0.3080 1.0965 0.3489 0.0921  -0.0249 -0.2030 94  GLU A OE1   
746  O OE2   . GLU A 96  ? 0.3760 1.2017 0.4287 0.1052  -0.0303 -0.2332 94  GLU A OE2   
747  N N     . VAL A 97  ? 0.4491 1.1286 0.4887 0.1061  -0.0270 -0.1884 95  VAL A N     
748  C CA    . VAL A 97  ? 0.4385 1.1072 0.4967 0.1072  -0.0193 -0.1671 95  VAL A CA    
749  C C     . VAL A 97  ? 0.4543 1.1188 0.5291 0.1027  -0.0036 -0.1409 95  VAL A C     
750  O O     . VAL A 97  ? 0.4001 1.0442 0.4737 0.1004  0.0062  -0.1407 95  VAL A O     
751  C CB    . VAL A 97  ? 0.3930 1.0347 0.4592 0.1115  -0.0202 -0.1689 95  VAL A CB    
752  C CG1   . VAL A 97  ? 0.3916 1.0208 0.4831 0.1117  -0.0058 -0.1412 95  VAL A CG1   
753  C CG2   . VAL A 97  ? 0.4163 1.0624 0.4847 0.1171  -0.0331 -0.1824 95  VAL A CG2   
754  N N     . GLU A 98  ? 0.4306 1.1160 0.5266 0.1008  -0.0014 -0.1174 96  GLU A N     
755  C CA    . GLU A 98  ? 0.4352 1.1165 0.5616 0.1001  0.0152  -0.0879 96  GLU A CA    
756  C C     . GLU A 98  ? 0.3894 1.0462 0.5473 0.1076  0.0283  -0.0699 96  GLU A C     
757  O O     . GLU A 98  ? 0.3053 0.9655 0.4716 0.1094  0.0183  -0.0666 96  GLU A O     
758  C CB    . GLU A 98  ? 0.4423 1.1656 0.5842 0.0920  0.0078  -0.0647 96  GLU A CB    
759  C CG    . GLU A 98  ? 0.4297 1.1728 0.5606 0.0849  0.0119  -0.0639 96  GLU A CG    
760  C CD    . GLU A 98  ? 0.4706 1.2564 0.6232 0.0732  0.0052  -0.0308 96  GLU A CD    
761  O OE1   . GLU A 98  ? 0.4778 1.2599 0.6774 0.0742  0.0130  0.0047  96  GLU A OE1   
762  O OE2   . GLU A 98  ? 0.4897 1.3141 0.6132 0.0623  -0.0069 -0.0394 96  GLU A OE2   
763  N N     . VAL A 99  ? 0.4074 1.0396 0.5829 0.1121  0.0528  -0.0601 97  VAL A N     
764  C CA    . VAL A 99  ? 0.4314 1.0394 0.6359 0.1212  0.0746  -0.0452 97  VAL A CA    
765  C C     . VAL A 99  ? 0.4681 1.0648 0.7059 0.1267  0.1023  -0.0279 97  VAL A C     
766  O O     . VAL A 99  ? 0.4743 1.0710 0.7020 0.1229  0.1066  -0.0352 97  VAL A O     
767  C CB    . VAL A 99  ? 0.4597 1.0343 0.6360 0.1232  0.0830  -0.0674 97  VAL A CB    
768  C CG1   . VAL A 99  ? 0.4267 1.0135 0.5752 0.1187  0.0554  -0.0870 97  VAL A CG1   
769  C CG2   . VAL A 99  ? 0.4838 1.0285 0.6359 0.1204  0.1002  -0.0849 97  VAL A CG2   
770  N N     . ASN A 100 ? 0.4534 1.0441 0.7364 0.1360  0.1210  -0.0036 98  ASN A N     
771  C CA    . ASN A 100 ? 0.4713 1.0510 0.7952 0.1445  0.1495  0.0124  98  ASN A CA    
772  C C     . ASN A 100 ? 0.5283 1.0609 0.8284 0.1504  0.1828  -0.0146 98  ASN A C     
773  O O     . ASN A 100 ? 0.5280 1.0491 0.8462 0.1561  0.2052  -0.0137 98  ASN A O     
774  C CB    . ASN A 100 ? 0.4482 1.0370 0.8290 0.1531  0.1578  0.0469  98  ASN A CB    
775  C CG    . ASN A 100 ? 0.4352 1.0692 0.8448 0.1439  0.1270  0.0823  98  ASN A CG    
776  O OD1   . ASN A 100 ? 0.4334 1.0933 0.8115 0.1306  0.0965  0.0746  98  ASN A OD1   
777  N ND2   . ASN A 100 ? 0.4414 1.0836 0.9066 0.1495  0.1341  0.1223  98  ASN A ND2   
778  N N     . GLU A 101 ? 0.5801 1.0865 0.8402 0.1485  0.1862  -0.0364 99  GLU A N     
779  C CA    . GLU A 101 ? 0.6007 1.0583 0.8282 0.1505  0.2180  -0.0608 99  GLU A CA    
780  C C     . GLU A 101 ? 0.5976 1.0448 0.7623 0.1383  0.1973  -0.0851 99  GLU A C     
781  O O     . GLU A 101 ? 0.5768 1.0417 0.7351 0.1354  0.1757  -0.0832 99  GLU A O     
782  C CB    . GLU A 101 ? 0.6274 1.0684 0.8789 0.1595  0.2468  -0.0564 99  GLU A CB    
783  C CG    . GLU A 101 ? 0.6418 1.0959 0.9532 0.1743  0.2642  -0.0347 99  GLU A CG    
784  C CD    . GLU A 101 ? 0.6977 1.1283 1.0084 0.1824  0.2880  -0.0454 99  GLU A CD    
785  O OE1   . GLU A 101 ? 0.7441 1.1414 1.0019 0.1759  0.3015  -0.0805 99  GLU A OE1   
786  O OE2   . GLU A 101 ? 0.6987 1.1393 1.0612 0.1952  0.2933  -0.0139 99  GLU A OE2   
787  N N     . ALA A 102 ? 0.5936 1.0697 0.5345 0.1740  -0.0049 0.0781  100 ALA A N     
788  C CA    . ALA A 102 ? 0.5355 0.9899 0.4751 0.1653  -0.0071 0.0643  100 ALA A CA    
789  C C     . ALA A 102 ? 0.4811 0.9150 0.4130 0.1780  0.0042  0.0656  100 ALA A C     
790  O O     . ALA A 102 ? 0.4895 0.9177 0.4127 0.1932  0.0132  0.0759  100 ALA A O     
791  C CB    . ALA A 102 ? 0.4979 0.9414 0.4308 0.1562  -0.0142 0.0506  100 ALA A CB    
792  N N     . VAL A 103 ? 0.4792 0.8990 0.4116 0.1735  0.0030  0.0555  101 VAL A N     
793  C CA    . VAL A 103 ? 0.5078 0.9080 0.4323 0.1832  0.0105  0.0544  101 VAL A CA    
794  C C     . VAL A 103 ? 0.4476 0.8396 0.3704 0.1755  0.0048  0.0375  101 VAL A C     
795  O O     . VAL A 103 ? 0.4323 0.8266 0.3596 0.1670  -0.0018 0.0270  101 VAL A O     
796  C CB    . VAL A 103 ? 0.4728 0.8658 0.3980 0.1900  0.0164  0.0602  101 VAL A CB    
797  C CG1   . VAL A 103 ? 0.4504 0.8454 0.3717 0.2056  0.0277  0.0781  101 VAL A CG1   
798  C CG2   . VAL A 103 ? 0.4508 0.8531 0.3851 0.1795  0.0092  0.0570  101 VAL A CG2   
799  N N     . LEU A 104 ? 0.4390 0.8198 0.3521 0.1777  0.0067  0.0359  102 LEU A N     
800  C CA    . LEU A 104 ? 0.4685 0.8489 0.3810 0.1693  0.0020  0.0208  102 LEU A CA    
801  C C     . LEU A 104 ? 0.4827 0.8487 0.3906 0.1728  0.0030  0.0177  102 LEU A C     
802  O O     . LEU A 104 ? 0.4804 0.8238 0.3711 0.1768  0.0091  0.0269  102 LEU A O     
803  C CB    . LEU A 104 ? 0.4584 0.8346 0.3559 0.1606  0.0033  0.0197  102 LEU A CB    
804  C CG    . LEU A 104 ? 0.4599 0.8466 0.3586 0.1481  0.0004  0.0040  102 LEU A CG    
805  C CD1   . LEU A 104 ? 0.4330 0.8404 0.3519 0.1505  -0.0060 -0.0058 102 LEU A CD1   
806  C CD2   . LEU A 104 ? 0.5017 0.8806 0.3804 0.1369  0.0064  0.0053  102 LEU A CD2   
807  N N     . ALA A 105 ? 0.5188 0.8910 0.4365 0.1725  -0.0014 0.0052  103 ALA A N     
808  C CA    . ALA A 105 ? 0.5031 0.8632 0.4171 0.1775  -0.0020 0.0009  103 ALA A CA    
809  C C     . ALA A 105 ? 0.5017 0.8729 0.4152 0.1684  -0.0065 -0.0130 103 ALA A C     
810  O O     . ALA A 105 ? 0.4953 0.8875 0.4214 0.1667  -0.0102 -0.0235 103 ALA A O     
811  C CB    . ALA A 105 ? 0.4630 0.8181 0.3820 0.1851  -0.0020 -0.0028 103 ALA A CB    
812  N N     . ILE A 106 ? 0.5479 0.9042 0.4435 0.1614  -0.0037 -0.0134 104 ILE A N     
813  C CA    . ILE A 106 ? 0.5650 0.9367 0.4570 0.1471  -0.0054 -0.0275 104 ILE A CA    
814  C C     . ILE A 106 ? 0.5567 0.9187 0.4430 0.1518  -0.0078 -0.0333 104 ILE A C     
815  O O     . ILE A 106 ? 0.6054 0.9328 0.4724 0.1570  -0.0027 -0.0244 104 ILE A O     
816  C CB    . ILE A 106 ? 0.5913 0.9476 0.4560 0.1270  0.0046  -0.0262 104 ILE A CB    
817  C CG1   . ILE A 106 ? 0.5785 0.9336 0.4428 0.1269  0.0082  -0.0169 104 ILE A CG1   
818  C CG2   . ILE A 106 ? 0.6124 0.9972 0.4770 0.1069  0.0038  -0.0432 104 ILE A CG2   
819  C CD1   . ILE A 106 ? 0.6063 0.9186 0.4336 0.1202  0.0225  -0.0058 104 ILE A CD1   
820  N N     . ASN A 107 ? 0.5579 0.9511 0.4593 0.1517  -0.0144 -0.0475 105 ASN A N     
821  C CA    . ASN A 107 ? 0.5875 0.9769 0.4853 0.1588  -0.0184 -0.0544 105 ASN A CA    
822  C C     . ASN A 107 ? 0.5630 0.9920 0.4650 0.1439  -0.0215 -0.0704 105 ASN A C     
823  O O     . ASN A 107 ? 0.5018 0.9704 0.4271 0.1546  -0.0263 -0.0799 105 ASN A O     
824  C CB    . ASN A 107 ? 0.5421 0.9298 0.4550 0.1830  -0.0225 -0.0544 105 ASN A CB    
825  C CG    . ASN A 107 ? 0.5206 0.9008 0.4272 0.1936  -0.0263 -0.0604 105 ASN A CG    
826  O OD1   . ASN A 107 ? 0.5804 0.9387 0.4665 0.1863  -0.0252 -0.0587 105 ASN A OD1   
827  N ND2   . ASN A 107 ? 0.4871 0.8790 0.4044 0.2114  -0.0294 -0.0675 105 ASN A ND2   
828  N N     . THR A 108 ? 0.6144 1.0318 0.4901 0.1196  -0.0164 -0.0735 106 THR A N     
829  C CA    . THR A 108 ? 0.6408 1.0962 0.5155 0.0983  -0.0184 -0.0895 106 THR A CA    
830  C C     . THR A 108 ? 0.6961 1.1074 0.5290 0.0831  -0.0144 -0.0909 106 THR A C     
831  O O     . THR A 108 ? 0.7348 1.0857 0.5383 0.0898  -0.0066 -0.0778 106 THR A O     
832  C CB    . THR A 108 ? 0.6293 1.1183 0.5087 0.0735  -0.0127 -0.0950 106 THR A CB    
833  O OG1   . THR A 108 ? 0.6826 1.1188 0.5236 0.0562  0.0000  -0.0862 106 THR A OG1   
834  C CG2   . THR A 108 ? 0.5658 1.0892 0.4798 0.0905  -0.0155 -0.0923 106 THR A CG2   
835  N N     . SER A 109 ? 0.6909 1.1334 0.5201 0.0644  -0.0190 -0.1064 107 SER A N     
836  C CA    . SER A 109 ? 0.7615 1.1574 0.5422 0.0440  -0.0148 -0.1100 107 SER A CA    
837  C C     . SER A 109 ? 0.8427 1.1785 0.5759 0.0233  0.0024  -0.1023 107 SER A C     
838  O O     . SER A 109 ? 0.9171 1.1817 0.6060 0.0293  0.0118  -0.0922 107 SER A O     
839  C CB    . SER A 109 ? 0.7017 1.1503 0.4865 0.0157  -0.0214 -0.1296 107 SER A CB    
840  O OG    . SER A 109 ? 0.6646 1.1966 0.5028 0.0305  -0.0322 -0.1385 107 SER A OG    
841  N N     . LYS A 110 ? 0.8797 1.2415 0.6224 0.0051  0.0086  -0.1045 108 LYS A N     
842  C CA    . LYS A 110 ? 0.9158 1.2225 0.6164 -0.0104 0.0273  -0.0954 108 LYS A CA    
843  C C     . LYS A 110 ? 0.9078 1.1587 0.5963 0.0217  0.0344  -0.0737 108 LYS A C     
844  O O     . LYS A 110 ? 0.9538 1.1321 0.5898 0.0224  0.0491  -0.0632 108 LYS A O     
845  C CB    . LYS A 110 ? 0.8964 1.2565 0.6267 -0.0261 0.0290  -0.1006 108 LYS A CB    
846  C CG    . LYS A 110 ? 0.9634 1.2867 0.6557 -0.0533 0.0479  -0.0977 108 LYS A CG    
847  C CD    . LYS A 110 ? 1.0428 1.3060 0.6724 -0.0876 0.0623  -0.1028 108 LYS A CD    
848  C CE    . LYS A 110 ? 1.1350 1.3384 0.7209 -0.1017 0.0847  -0.0925 108 LYS A CE    
849  N NZ    . LYS A 110 ? 1.1742 1.4261 0.7793 -0.1348 0.0895  -0.1030 108 LYS A NZ    
850  N N     . PHE A 111 ? 0.8282 1.1139 0.5656 0.0497  0.0236  -0.0669 109 PHE A N     
851  C CA    . PHE A 111 ? 0.8111 1.0656 0.5523 0.0760  0.0278  -0.0473 109 PHE A CA    
852  C C     . PHE A 111 ? 0.7624 1.0268 0.5322 0.1038  0.0160  -0.0437 109 PHE A C     
853  O O     . PHE A 111 ? 0.6584 0.9626 0.4694 0.1188  0.0049  -0.0448 109 PHE A O     
854  C CB    . PHE A 111 ? 0.7904 1.0718 0.5565 0.0779  0.0277  -0.0426 109 PHE A CB    
855  C CG    . PHE A 111 ? 0.8139 1.0855 0.5512 0.0497  0.0405  -0.0471 109 PHE A CG    
856  C CD1   . PHE A 111 ? 0.8742 1.0803 0.5515 0.0348  0.0590  -0.0422 109 PHE A CD1   
857  C CD2   . PHE A 111 ? 0.8028 1.1240 0.5679 0.0391  0.0365  -0.0552 109 PHE A CD2   
858  C CE1   . PHE A 111 ? 0.8894 1.0770 0.5332 0.0082  0.0735  -0.0458 109 PHE A CE1   
859  C CE2   . PHE A 111 ? 0.8583 1.1685 0.5962 0.0121  0.0502  -0.0588 109 PHE A CE2   
860  C CZ    . PHE A 111 ? 0.9196 1.1618 0.5967 -0.0042 0.0688  -0.0543 109 PHE A CZ    
861  N N     . PRO A 112 ? 0.8054 1.0283 0.5487 0.1108  0.0196  -0.0398 110 PRO A N     
862  C CA    . PRO A 112 ? 0.7357 0.9627 0.5008 0.1357  0.0103  -0.0371 110 PRO A CA    
863  C C     . PRO A 112 ? 0.6530 0.8612 0.4295 0.1594  0.0149  -0.0178 110 PRO A C     
864  O O     . PRO A 112 ? 0.6384 0.8063 0.3904 0.1627  0.0279  -0.0036 110 PRO A O     
865  C CB    . PRO A 112 ? 0.7197 0.9087 0.4468 0.1298  0.0134  -0.0419 110 PRO A CB    
866  C CG    . PRO A 112 ? 0.7885 0.9297 0.4653 0.1091  0.0302  -0.0380 110 PRO A CG    
867  C CD    . PRO A 112 ? 0.8067 0.9686 0.4925 0.0966  0.0347  -0.0368 110 PRO A CD    
868  N N     . ASN A 113 ? 0.5975 0.8364 0.4101 0.1752  0.0055  -0.0171 111 ASN A N     
869  C CA    . ASN A 113 ? 0.5908 0.8207 0.4157 0.1946  0.0088  -0.0010 111 ASN A CA    
870  C C     . ASN A 113 ? 0.5729 0.7962 0.3926 0.1919  0.0181  0.0124  111 ASN A C     
871  O O     . ASN A 113 ? 0.5891 0.7870 0.3996 0.2046  0.0278  0.0286  111 ASN A O     
872  C CB    . ASN A 113 ? 0.5689 0.7621 0.3782 0.2103  0.0143  0.0077  111 ASN A CB    
873  C CG    . ASN A 113 ? 0.5491 0.7490 0.3686 0.2208  0.0050  -0.0013 111 ASN A CG    
874  O OD1   . ASN A 113 ? 0.5316 0.7542 0.3736 0.2279  -0.0007 -0.0038 111 ASN A OD1   
875  N ND2   . ASN A 113 ? 0.5914 0.7665 0.3894 0.2219  0.0047  -0.0066 111 ASN A ND2   
876  N N     . MET A 114 ? 0.5710 0.8165 0.3958 0.1770  0.0161  0.0062  112 MET A N     
877  C CA    . MET A 114 ? 0.5842 0.8184 0.3984 0.1748  0.0252  0.0183  112 MET A CA    
878  C C     . MET A 114 ? 0.5451 0.8106 0.3905 0.1865  0.0199  0.0263  112 MET A C     
879  O O     . MET A 114 ? 0.5158 0.8145 0.3839 0.1820  0.0106  0.0163  112 MET A O     
880  C CB    . MET A 114 ? 0.6065 0.8421 0.4033 0.1513  0.0287  0.0085  112 MET A CB    
881  C CG    . MET A 114 ? 0.6430 0.8280 0.3961 0.1448  0.0456  0.0183  112 MET A CG    
882  S SD    . MET A 114 ? 0.7347 0.9179 0.4619 0.1141  0.0535  0.0073  112 MET A SD    
883  C CE    . MET A 114 ? 0.6592 0.7658 0.3262 0.1117  0.0757  0.0218  112 MET A CE    
884  N N     . TYR A 115 ? 0.5277 0.7836 0.3732 0.2013  0.0273  0.0437  113 TYR A N     
885  C CA    . TYR A 115 ? 0.5161 0.8053 0.3873 0.2080  0.0251  0.0507  113 TYR A CA    
886  C C     . TYR A 115 ? 0.5477 0.8247 0.4046 0.2121  0.0333  0.0637  113 TYR A C     
887  O O     . TYR A 115 ? 0.5711 0.8147 0.4072 0.2234  0.0445  0.0754  113 TYR A O     
888  C CB    . TYR A 115 ? 0.4986 0.7992 0.3861 0.2204  0.0294  0.0575  113 TYR A CB    
889  C CG    . TYR A 115 ? 0.4916 0.7886 0.3819 0.2176  0.0238  0.0449  113 TYR A CG    
890  C CD1   . TYR A 115 ? 0.5014 0.7697 0.3763 0.2244  0.0244  0.0436  113 TYR A CD1   
891  C CD2   . TYR A 115 ? 0.4814 0.7937 0.3815 0.2073  0.0176  0.0345  113 TYR A CD2   
892  C CE1   . TYR A 115 ? 0.4901 0.7522 0.3650 0.2239  0.0185  0.0322  113 TYR A CE1   
893  C CE2   . TYR A 115 ? 0.4851 0.7847 0.3814 0.2074  0.0128  0.0236  113 TYR A CE2   
894  C CZ    . TYR A 115 ? 0.4772 0.7527 0.3625 0.2152  0.0130  0.0225  113 TYR A CZ    
895  O OH    . TYR A 115 ? 0.4673 0.7287 0.3472 0.2175  0.0079  0.0124  113 TYR A OH    
896  N N     . ILE A 116 ? 0.5683 0.8664 0.4322 0.2045  0.0290  0.0610  114 ILE A N     
897  C CA    . ILE A 116 ? 0.5911 0.8691 0.4321 0.2055  0.0365  0.0695  114 ILE A CA    
898  C C     . ILE A 116 ? 0.5412 0.8560 0.4043 0.2129  0.0331  0.0764  114 ILE A C     
899  O O     . ILE A 116 ? 0.5028 0.8490 0.3866 0.2025  0.0238  0.0667  114 ILE A O     
900  C CB    . ILE A 116 ? 0.5978 0.8570 0.4144 0.1834  0.0377  0.0566  114 ILE A CB    
901  C CG1   . ILE A 116 ? 0.7674 0.9793 0.5416 0.1815  0.0525  0.0643  114 ILE A CG1   
902  C CG2   . ILE A 116 ? 0.5361 0.8329 0.3742 0.1717  0.0270  0.0448  114 ILE A CG2   
903  C CD1   . ILE A 116 ? 0.8675 1.0523 0.6093 0.1536  0.0598  0.0496  114 ILE A CD1   
904  N N     . PRO A 117 ? 0.5485 0.8616 0.4078 0.2310  0.0418  0.0920  115 PRO A N     
905  C CA    . PRO A 117 ? 0.5376 0.8916 0.4166 0.2355  0.0401  0.0975  115 PRO A CA    
906  C C     . PRO A 117 ? 0.5590 0.9057 0.4224 0.2309  0.0367  0.0959  115 PRO A C     
907  O O     . PRO A 117 ? 0.6231 0.9344 0.4561 0.2411  0.0454  0.1041  115 PRO A O     
908  C CB    . PRO A 117 ? 0.5594 0.9138 0.4350 0.2591  0.0536  0.1140  115 PRO A CB    
909  C CG    . PRO A 117 ? 0.5997 0.8916 0.4384 0.2690  0.0624  0.1182  115 PRO A CG    
910  C CD    . PRO A 117 ? 0.5893 0.8576 0.4194 0.2472  0.0554  0.1039  115 PRO A CD    
911  N N     . VAL A 118 ? 0.6046 0.9778 0.4835 0.2151  0.0259  0.0851  116 VAL A N     
912  C CA    . VAL A 118 ? 0.6511 1.0153 0.5131 0.2103  0.0237  0.0830  116 VAL A CA    
913  C C     . VAL A 118 ? 0.6620 1.0461 0.5259 0.2232  0.0243  0.0938  116 VAL A C     
914  O O     . VAL A 118 ? 0.7345 1.0943 0.5714 0.2341  0.0304  0.1014  116 VAL A O     
915  C CB    . VAL A 118 ? 0.6045 0.9830 0.4778 0.1903  0.0135  0.0662  116 VAL A CB    
916  C CG1   . VAL A 118 ? 0.5886 0.9483 0.4535 0.1788  0.0147  0.0551  116 VAL A CG1   
917  C CG2   . VAL A 118 ? 0.5590 0.9679 0.4594 0.1833  0.0055  0.0606  116 VAL A CG2   
918  N N     . GLY A 119 ? 0.5859 1.0088 0.4749 0.2207  0.0195  0.0953  117 GLY A N     
919  C CA    . GLY A 119 ? 0.5974 1.0459 0.4882 0.2283  0.0176  0.1038  117 GLY A CA    
920  C C     . GLY A 119 ? 0.6709 1.1364 0.5706 0.2086  0.0032  0.0935  117 GLY A C     
921  O O     . GLY A 119 ? 0.6453 1.1127 0.5573 0.1901  -0.0043 0.0821  117 GLY A O     
922  N N     . GLN A 120 ? 0.6893 1.1611 0.5785 0.2141  -0.0004 0.0971  118 GLN A N     
923  C CA    . GLN A 120 ? 0.6230 1.1092 0.5181 0.1967  -0.0148 0.0886  118 GLN A CA    
924  C C     . GLN A 120 ? 0.6145 1.0755 0.5016 0.1832  -0.0177 0.0742  118 GLN A C     
925  O O     . GLN A 120 ? 0.6217 1.0572 0.4905 0.1892  -0.0102 0.0733  118 GLN A O     
926  C CB    . GLN A 120 ? 0.6442 1.1420 0.5267 0.2084  -0.0178 0.0963  118 GLN A CB    
927  C CG    . GLN A 120 ? 0.6078 1.1295 0.4987 0.1913  -0.0348 0.0911  118 GLN A CG    
928  C CD    . GLN A 120 ? 0.6456 1.2085 0.5436 0.2008  -0.0396 0.1028  118 GLN A CD    
929  O OE1   . GLN A 120 ? 0.6141 1.1820 0.5011 0.2263  -0.0297 0.1148  118 GLN A OE1   
930  N NE2   . GLN A 120 ? 0.6394 1.2321 0.5533 0.1809  -0.0550 0.0995  118 GLN A NE2   
931  N N     . VAL A 121 ? 0.6144 1.0808 0.5121 0.1647  -0.0283 0.0633  119 VAL A N     
932  C CA    . VAL A 121 ? 0.6420 1.0897 0.5322 0.1541  -0.0312 0.0494  119 VAL A CA    
933  C C     . VAL A 121 ? 0.6189 1.0688 0.4999 0.1460  -0.0427 0.0460  119 VAL A C     
934  O O     . VAL A 121 ? 0.6075 1.0717 0.4954 0.1363  -0.0537 0.0468  119 VAL A O     
935  C CB    . VAL A 121 ? 0.6195 1.0619 0.5213 0.1444  -0.0326 0.0395  119 VAL A CB    
936  C CG1   . VAL A 121 ? 0.6009 1.0344 0.4969 0.1314  -0.0429 0.0278  119 VAL A CG1   
937  C CG2   . VAL A 121 ? 0.5934 1.0232 0.4937 0.1497  -0.0226 0.0350  119 VAL A CG2   
938  N N     . THR A 122 ? 0.5557 0.9911 0.4184 0.1486  -0.0407 0.0426  120 THR A N     
939  C CA    . THR A 122 ? 0.5890 1.0213 0.4371 0.1431  -0.0507 0.0398  120 THR A CA    
940  C C     . THR A 122 ? 0.5666 0.9795 0.4028 0.1364  -0.0501 0.0271  120 THR A C     
941  O O     . THR A 122 ? 0.5654 0.9711 0.3997 0.1401  -0.0395 0.0234  120 THR A O     
942  C CB    . THR A 122 ? 0.6463 1.0776 0.4761 0.1563  -0.0481 0.0495  120 THR A CB    
943  O OG1   . THR A 122 ? 0.5653 0.9751 0.3779 0.1635  -0.0350 0.0493  120 THR A OG1   
944  C CG2   . THR A 122 ? 0.6547 1.1097 0.4952 0.1686  -0.0474 0.0634  120 THR A CG2   
945  N N     . GLU A 123 ? 0.5965 1.0011 0.4217 0.1265  -0.0615 0.0207  121 GLU A N     
946  C CA    . GLU A 123 ? 0.5431 0.9286 0.3516 0.1248  -0.0594 0.0101  121 GLU A CA    
947  C C     . GLU A 123 ? 0.5136 0.8949 0.3081 0.1332  -0.0494 0.0127  121 GLU A C     
948  O O     . GLU A 123 ? 0.5362 0.9206 0.3240 0.1400  -0.0477 0.0227  121 GLU A O     
949  C CB    . GLU A 123 ? 0.5470 0.9162 0.3338 0.1150  -0.0730 0.0051  121 GLU A CB    
950  C CG    . GLU A 123 ? 0.6139 0.9846 0.4041 0.1020  -0.0863 0.0050  121 GLU A CG    
951  C CD    . GLU A 123 ? 0.6707 1.0107 0.4282 0.0908  -0.0972 -0.0040 121 GLU A CD    
952  O OE1   . GLU A 123 ? 0.6598 0.9804 0.3931 0.0947  -0.0951 -0.0084 121 GLU A OE1   
953  O OE2   . GLU A 123 ? 0.6347 0.9678 0.3856 0.0776  -0.1077 -0.0062 121 GLU A OE2   
954  N N     . TYR A 124 ? 0.5134 0.8880 0.3020 0.1336  -0.0415 0.0043  122 TYR A N     
955  C CA    . TYR A 124 ? 0.5756 0.9444 0.3474 0.1372  -0.0302 0.0058  122 TYR A CA    
956  C C     . TYR A 124 ? 0.6117 0.9728 0.3687 0.1361  -0.0266 -0.0036 122 TYR A C     
957  O O     . TYR A 124 ? 0.6075 0.9564 0.3404 0.1373  -0.0210 -0.0015 122 TYR A O     
958  C CB    . TYR A 124 ? 0.5451 0.9215 0.3281 0.1370  -0.0181 0.0071  122 TYR A CB    
959  C CG    . TYR A 124 ? 0.5451 0.9061 0.3039 0.1363  -0.0046 0.0126  122 TYR A CG    
960  C CD1   . TYR A 124 ? 0.5593 0.9068 0.3051 0.1427  -0.0013 0.0249  122 TYR A CD1   
961  C CD2   . TYR A 124 ? 0.5915 0.9488 0.3382 0.1283  0.0073  0.0055  122 TYR A CD2   
962  C CE1   . TYR A 124 ? 0.5628 0.8821 0.2766 0.1406  0.0142  0.0300  122 TYR A CE1   
963  C CE2   . TYR A 124 ? 0.6366 0.9704 0.3546 0.1218  0.0236  0.0095  122 TYR A CE2   
964  C CZ    . TYR A 124 ? 0.6272 0.9364 0.3253 0.1275  0.0275  0.0217  122 TYR A CZ    
965  O OH    . TYR A 124 ? 0.6748 0.9472 0.3345 0.1197  0.0467  0.0256  122 TYR A OH    
966  N N     . GLY A 125 ? 0.5872 0.9526 0.3543 0.1360  -0.0287 -0.0130 123 GLY A N     
967  C CA    . GLY A 125 ? 0.5841 0.9436 0.3360 0.1394  -0.0250 -0.0210 123 GLY A CA    
968  C C     . GLY A 125 ? 0.6197 0.9980 0.3773 0.1398  -0.0101 -0.0243 123 GLY A C     
969  O O     . GLY A 125 ? 0.5906 0.9919 0.3723 0.1384  -0.0056 -0.0277 123 GLY A O     
970  N N     . PHE A 126 ? 0.3806 1.1174 0.4268 -0.1959 -0.0655 0.2783  124 PHE A N     
971  C CA    . PHE A 126 ? 0.3984 1.1412 0.4411 -0.1996 -0.0658 0.2773  124 PHE A CA    
972  C C     . PHE A 126 ? 0.4060 1.1485 0.4450 -0.2052 -0.0672 0.2766  124 PHE A C     
973  O O     . PHE A 126 ? 0.4241 1.1617 0.4630 -0.2068 -0.0680 0.2768  124 PHE A O     
974  C CB    . PHE A 126 ? 0.4302 1.1739 0.4725 -0.1999 -0.0658 0.2773  124 PHE A CB    
975  C CG    . PHE A 126 ? 0.3959 1.1476 0.4351 -0.2028 -0.0659 0.2766  124 PHE A CG    
976  C CD1   . PHE A 126 ? 0.3809 1.1335 0.4158 -0.2090 -0.0673 0.2760  124 PHE A CD1   
977  C CD2   . PHE A 126 ? 0.3742 1.1332 0.4149 -0.1998 -0.0646 0.2767  124 PHE A CD2   
978  C CE1   . PHE A 126 ? 0.3854 1.1459 0.4172 -0.2122 -0.0675 0.2756  124 PHE A CE1   
979  C CE2   . PHE A 126 ? 0.3781 1.1459 0.4162 -0.2023 -0.0646 0.2761  124 PHE A CE2   
980  C CZ    . PHE A 126 ? 0.3838 1.1522 0.4174 -0.2086 -0.0660 0.2755  124 PHE A CZ    
981  N N     . LEU A 127 ? 0.4293 1.1781 0.4654 -0.2083 -0.0675 0.2760  125 LEU A N     
982  C CA    . LEU A 127 ? 0.4479 1.1978 0.4799 -0.2148 -0.0691 0.2755  125 LEU A CA    
983  C C     . LEU A 127 ? 0.4952 1.2535 0.5237 -0.2184 -0.0694 0.2748  125 LEU A C     
984  O O     . LEU A 127 ? 0.5147 1.2789 0.5446 -0.2152 -0.0681 0.2746  125 LEU A O     
985  C CB    . LEU A 127 ? 0.4645 1.2131 0.4972 -0.2146 -0.0692 0.2756  125 LEU A CB    
986  C CG    . LEU A 127 ? 0.4702 1.2215 0.4989 -0.2215 -0.0709 0.2752  125 LEU A CG    
987  C CD1   . LEU A 127 ? 0.4890 1.2372 0.5149 -0.2274 -0.0727 0.2755  125 LEU A CD1   
988  C CD2   . LEU A 127 ? 0.3877 1.1388 0.4180 -0.2201 -0.0706 0.2754  125 LEU A CD2   
989  N N     . ASN A 128 ? 0.5083 1.2678 0.5323 -0.2254 -0.0712 0.2747  126 ASN A N     
990  C CA    . ASN A 128 ? 0.5175 1.2855 0.5374 -0.2301 -0.0719 0.2741  126 ASN A CA    
991  C C     . ASN A 128 ? 0.5473 1.3176 0.5645 -0.2348 -0.0730 0.2738  126 ASN A C     
992  O O     . ASN A 128 ? 0.5590 1.3279 0.5720 -0.2422 -0.0752 0.2740  126 ASN A O     
993  C CB    . ASN A 128 ? 0.5880 1.3565 0.6041 -0.2358 -0.0735 0.2745  126 ASN A CB    
994  C CG    . ASN A 128 ? 0.6560 1.4345 0.6704 -0.2366 -0.0731 0.2741  126 ASN A CG    
995  O OD1   . ASN A 128 ? 0.6721 1.4548 0.6902 -0.2303 -0.0709 0.2739  126 ASN A OD1   
996  N ND2   . ASN A 128 ? 0.6524 1.4359 0.6614 -0.2448 -0.0751 0.2741  126 ASN A ND2   
997  N N     . LEU A 129 ? 0.5769 1.3515 0.5963 -0.2308 -0.0715 0.2733  127 LEU A N     
998  C CA    . LEU A 129 ? 0.5350 1.3113 0.5533 -0.2332 -0.0720 0.2730  127 LEU A CA    
999  C C     . LEU A 129 ? 0.5276 1.3134 0.5414 -0.2392 -0.0729 0.2722  127 LEU A C     
1000 O O     . LEU A 129 ? 0.5127 1.3066 0.5276 -0.2363 -0.0715 0.2717  127 LEU A O     
1001 C CB    . LEU A 129 ? 0.4982 1.2742 0.5214 -0.2256 -0.0700 0.2731  127 LEU A CB    
1002 C CG    . LEU A 129 ? 0.5261 1.3071 0.5490 -0.2261 -0.0698 0.2727  127 LEU A CG    
1003 C CD1   . LEU A 129 ? 0.4950 1.2709 0.5177 -0.2282 -0.0709 0.2731  127 LEU A CD1   
1004 C CD2   . LEU A 129 ? 0.5073 1.2902 0.5349 -0.2183 -0.0676 0.2730  127 LEU A CD2   
1005 N N     . GLY A 130 ? 0.4844 1.2699 0.4931 -0.2480 -0.0754 0.2723  128 GLY A N     
1006 C CA    . GLY A 130 ? 0.5130 1.3075 0.5167 -0.2553 -0.0766 0.2718  128 GLY A CA    
1007 C C     . GLY A 130 ? 0.6251 1.4268 0.6287 -0.2540 -0.0757 0.2715  128 GLY A C     
1008 O O     . GLY A 130 ? 0.6549 1.4672 0.6579 -0.2542 -0.0749 0.2707  128 GLY A O     
1009 N N     . GLY A 131 ? 0.6213 1.4185 0.6259 -0.2522 -0.0757 0.2721  129 GLY A N     
1010 C CA    . GLY A 131 ? 0.6094 1.4135 0.6143 -0.2506 -0.0748 0.2721  129 GLY A CA    
1011 C C     . GLY A 131 ? 0.6468 1.4532 0.6576 -0.2405 -0.0718 0.2719  129 GLY A C     
1012 O O     . GLY A 131 ? 0.6757 1.4869 0.6875 -0.2384 -0.0709 0.2720  129 GLY A O     
1013 N N     . THR A 132 ? 0.7039 1.5068 0.7188 -0.2344 -0.0703 0.2718  130 THR A N     
1014 C CA    . THR A 132 ? 0.7065 1.5127 0.7264 -0.2258 -0.0677 0.2719  130 THR A CA    
1015 C C     . THR A 132 ? 0.7287 1.5245 0.7525 -0.2206 -0.0672 0.2727  130 THR A C     
1016 O O     . THR A 132 ? 0.6793 1.4660 0.7038 -0.2206 -0.0678 0.2730  130 THR A O     
1017 C CB    . THR A 132 ? 0.6848 1.4958 0.7068 -0.2225 -0.0665 0.2715  130 THR A CB    
1018 O OG1   . THR A 132 ? 0.6911 1.5095 0.7089 -0.2288 -0.0676 0.2707  130 THR A OG1   
1019 C CG2   . THR A 132 ? 0.6807 1.4998 0.7065 -0.2156 -0.0641 0.2717  130 THR A CG2   
1020 N N     . PRO A 133 ? 0.8207 1.6183 0.8472 -0.2160 -0.0658 0.2731  131 PRO A N     
1021 C CA    . PRO A 133 ? 0.8150 1.6034 0.8453 -0.2112 -0.0653 0.2740  131 PRO A CA    
1022 C C     . PRO A 133 ? 0.8096 1.5962 0.8441 -0.2055 -0.0641 0.2745  131 PRO A C     
1023 O O     . PRO A 133 ? 0.8077 1.6018 0.8445 -0.2015 -0.0626 0.2748  131 PRO A O     
1024 C CB    . PRO A 133 ? 0.8141 1.6078 0.8458 -0.2087 -0.0643 0.2742  131 PRO A CB    
1025 C CG    . PRO A 133 ? 0.8167 1.6239 0.8474 -0.2087 -0.0633 0.2736  131 PRO A CG    
1026 C CD    . PRO A 133 ? 0.8224 1.6317 0.8487 -0.2152 -0.0648 0.2728  131 PRO A CD    
1027 N N     . THR A 134 ? 0.6374 1.4146 0.6728 -0.2052 -0.0647 0.2749  132 THR A N     
1028 C CA    . THR A 134 ? 0.5807 1.3560 0.6196 -0.2007 -0.0638 0.2757  132 THR A CA    
1029 C C     . THR A 134 ? 0.4842 1.2499 0.5262 -0.1976 -0.0638 0.2768  132 THR A C     
1030 O O     . THR A 134 ? 0.4595 1.2186 0.5003 -0.2000 -0.0648 0.2766  132 THR A O     
1031 C CB    . THR A 134 ? 0.5186 1.2946 0.5557 -0.2034 -0.0644 0.2752  132 THR A CB    
1032 O OG1   . THR A 134 ? 0.5276 1.3000 0.5609 -0.2094 -0.0661 0.2745  132 THR A OG1   
1033 C CG2   . THR A 134 ? 0.5459 1.3329 0.5816 -0.2043 -0.0638 0.2745  132 THR A CG2   
1034 N N     . LYS A 135 ? 0.4105 1.1760 0.4564 -0.1926 -0.0629 0.2781  133 LYS A N     
1035 C CA    . LYS A 135 ? 0.3670 1.1247 0.4160 -0.1898 -0.0629 0.2793  133 LYS A CA    
1036 C C     . LYS A 135 ? 0.3801 1.1341 0.4314 -0.1878 -0.0629 0.2805  133 LYS A C     
1037 O O     . LYS A 135 ? 0.4402 1.1987 0.4914 -0.1875 -0.0625 0.2805  133 LYS A O     
1038 C CB    . LYS A 135 ? 0.3942 1.1552 0.4461 -0.1863 -0.0622 0.2805  133 LYS A CB    
1039 C CG    . LYS A 135 ? 0.4795 1.2425 0.5296 -0.1878 -0.0622 0.2796  133 LYS A CG    
1040 C CD    . LYS A 135 ? 0.4446 1.2032 0.4973 -0.1855 -0.0622 0.2806  133 LYS A CD    
1041 C CE    . LYS A 135 ? 0.4735 1.2398 0.5289 -0.1819 -0.0613 0.2819  133 LYS A CE    
1042 N NZ    . LYS A 135 ? 0.4596 1.2258 0.5156 -0.1812 -0.0612 0.2820  133 LYS A NZ    
1043 N N     . ARG A 136 ? 0.3609 1.1073 0.4141 -0.1866 -0.0633 0.2813  134 ARG A N     
1044 C CA    . ARG A 136 ? 0.3588 1.1013 0.4144 -0.1847 -0.0633 0.2827  134 ARG A CA    
1045 C C     . ARG A 136 ? 0.3603 1.1020 0.4141 -0.1867 -0.0636 0.2818  134 ARG A C     
1046 O O     . ARG A 136 ? 0.3594 1.1016 0.4147 -0.1852 -0.0633 0.2827  134 ARG A O     
1047 C CB    . ARG A 136 ? 0.3574 1.1039 0.4160 -0.1816 -0.0628 0.2847  134 ARG A CB    
1048 C CG    . ARG A 136 ? 0.3561 1.1049 0.4170 -0.1796 -0.0626 0.2861  134 ARG A CG    
1049 C CD    . ARG A 136 ? 0.3550 1.1071 0.4192 -0.1769 -0.0625 0.2888  134 ARG A CD    
1050 N NE    . ARG A 136 ? 0.4470 1.2010 0.5139 -0.1752 -0.0627 0.2909  134 ARG A NE    
1051 C CZ    . ARG A 136 ? 0.4652 1.2273 0.5342 -0.1732 -0.0624 0.2928  134 ARG A CZ    
1052 N NH1   . ARG A 136 ? 0.4105 1.1800 0.4791 -0.1724 -0.0616 0.2926  134 ARG A NH1   
1053 N NH2   . ARG A 136 ? 0.5026 1.2665 0.5742 -0.1719 -0.0629 0.2951  134 ARG A NH2   
1054 N N     . MET A 137 ? 0.3476 0.9619 0.3850 0.0235  -0.0155 0.1430  135 MET A N     
1055 C CA    . MET A 137 ? 0.3548 0.9909 0.3878 0.0347  -0.0110 0.1420  135 MET A CA    
1056 C C     . MET A 137 ? 0.3651 1.0137 0.4011 0.0413  -0.0063 0.1534  135 MET A C     
1057 O O     . MET A 137 ? 0.4125 1.0467 0.4536 0.0361  -0.0071 0.1608  135 MET A O     
1058 C CB    . MET A 137 ? 0.3739 1.0103 0.3999 0.0386  -0.0158 0.1302  135 MET A CB    
1059 C CG    . MET A 137 ? 0.4125 1.0416 0.4359 0.0278  -0.0197 0.1197  135 MET A CG    
1060 S SD    . MET A 137 ? 0.3360 0.9801 0.3556 0.0319  -0.0180 0.1106  135 MET A SD    
1061 C CE    . MET A 137 ? 0.3596 0.9913 0.3852 0.0261  -0.0184 0.1147  135 MET A CE    
1062 N N     . LEU A 138 ? 0.3284 1.0084 0.3606 0.0535  -0.0012 0.1537  136 LEU A N     
1063 C CA    . LEU A 138 ? 0.2989 1.0044 0.3298 0.0663  0.0034  0.1587  136 LEU A CA    
1064 C C     . LEU A 138 ? 0.3466 1.0592 0.3662 0.0871  -0.0030 0.1422  136 LEU A C     
1065 O O     . LEU A 138 ? 0.3610 1.0715 0.3748 0.0903  -0.0074 0.1306  136 LEU A O     
1066 C CB    . LEU A 138 ? 0.2763 1.0235 0.3095 0.0659  0.0127  0.1704  136 LEU A CB    
1067 C CG    . LEU A 138 ? 0.3022 1.0485 0.3472 0.0482  0.0129  0.1901  136 LEU A CG    
1068 C CD1   . LEU A 138 ? 0.2802 0.9976 0.3321 0.0318  0.0075  0.1954  136 LEU A CD1   
1069 C CD2   . LEU A 138 ? 0.2838 1.0629 0.3306 0.0452  0.0136  0.1973  136 LEU A CD2   
1070 N N     . MET A 139 ? 0.3838 1.0999 0.3992 0.1020  -0.0070 0.1396  137 MET A N     
1071 C CA    . MET A 139 ? 0.4368 1.1499 0.4384 0.1253  -0.0208 0.1213  137 MET A CA    
1072 C C     . MET A 139 ? 0.4728 1.2258 0.4674 0.1509  -0.0173 0.1157  137 MET A C     
1073 O O     . MET A 139 ? 0.4923 1.2560 0.4913 0.1512  -0.0120 0.1251  137 MET A O     
1074 C CB    . MET A 139 ? 0.4284 1.0953 0.4245 0.1231  -0.0399 0.1176  137 MET A CB    
1075 C CG    . MET A 139 ? 0.4755 1.1326 0.4529 0.1514  -0.0609 0.1004  137 MET A CG    
1076 S SD    . MET A 139 ? 0.6018 1.2084 0.5699 0.1511  -0.0850 0.1027  137 MET A SD    
1077 C CE    . MET A 139 ? 0.6793 1.2618 0.6183 0.1855  -0.1187 0.0785  137 MET A CE    
1078 N N     . TYR A 140 ? 0.5020 1.2781 0.4844 0.1740  -0.0216 0.0979  138 TYR A N     
1079 C CA    . TYR A 140 ? 0.5340 1.3516 0.5049 0.2061  -0.0220 0.0832  138 TYR A CA    
1080 C C     . TYR A 140 ? 0.6531 1.4371 0.6071 0.2344  -0.0493 0.0566  138 TYR A C     
1081 O O     . TYR A 140 ? 0.6669 1.4043 0.6158 0.2252  -0.0655 0.0529  138 TYR A O     
1082 C CB    . TYR A 140 ? 0.4217 1.3041 0.3897 0.2107  -0.0038 0.0834  138 TYR A CB    
1083 C CG    . TYR A 140 ? 0.4142 1.2862 0.3861 0.1950  -0.0013 0.0851  138 TYR A CG    
1084 C CD1   . TYR A 140 ? 0.4126 1.2799 0.3732 0.2146  -0.0127 0.0623  138 TYR A CD1   
1085 C CD2   . TYR A 140 ? 0.3717 1.2343 0.3579 0.1618  0.0095  0.1077  138 TYR A CD2   
1086 C CE1   . TYR A 140 ? 0.3933 1.2524 0.3575 0.2000  -0.0104 0.0637  138 TYR A CE1   
1087 C CE2   . TYR A 140 ? 0.3401 1.1920 0.3293 0.1494  0.0100  0.1070  138 TYR A CE2   
1088 C CZ    . TYR A 140 ? 0.3572 1.2100 0.3360 0.1676  0.0016  0.0858  138 TYR A CZ    
1089 O OH    . TYR A 140 ? 0.3460 1.1905 0.3277 0.1555  0.0023  0.0847  138 TYR A OH    
1090 N N     . ASN A 141 ? 0.7846 1.5907 0.7271 0.2685  -0.0572 0.0378  139 ASN A N     
1091 C CA    . ASN A 141 ? 0.9472 1.7098 0.8706 0.2990  -0.0904 0.0110  139 ASN A CA    
1092 C C     . ASN A 141 ? 1.0872 1.8816 0.9948 0.3326  -0.0949 -0.0187 139 ASN A C     
1093 O O     . ASN A 141 ? 1.0135 1.8634 0.9134 0.3642  -0.0882 -0.0377 139 ASN A O     
1094 C CB    . ASN A 141 ? 0.8991 1.6575 0.8191 0.3188  -0.1005 0.0046  139 ASN A CB    
1095 C CG    . ASN A 141 ? 0.7992 1.6388 0.7254 0.3271  -0.0723 0.0085  139 ASN A CG    
1096 O OD1   . ASN A 141 ? 0.6951 1.5777 0.6328 0.3011  -0.0445 0.0313  139 ASN A OD1   
1097 N ND2   . ASN A 141 ? 0.7818 1.6403 0.6968 0.3621  -0.0824 -0.0133 139 ASN A ND2   
1098 N N     . PHE A 142 ? 1.3686 2.1309 1.2692 0.3264  -0.1069 -0.0243 140 PHE A N     
1099 C CA    . PHE A 142 ? 1.4033 2.1883 1.2880 0.3595  -0.1142 -0.0548 140 PHE A CA    
1100 C C     . PHE A 142 ? 1.4214 2.1438 1.2930 0.3497  -0.1386 -0.0599 140 PHE A C     
1101 O O     . PHE A 142 ? 1.3877 2.0818 1.2681 0.3101  -0.1342 -0.0352 140 PHE A O     
1102 C CB    . PHE A 142 ? 1.3722 2.2430 1.2665 0.3568  -0.0792 -0.0496 140 PHE A CB    
1103 C CG    . PHE A 142 ? 1.4080 2.3099 1.2858 0.3924  -0.0851 -0.0825 140 PHE A CG    
1104 C CD1   . PHE A 142 ? 1.4668 2.3730 1.3240 0.4411  -0.1058 -0.1207 140 PHE A CD1   
1105 C CD2   . PHE A 142 ? 1.3881 2.3095 1.2700 0.3796  -0.0731 -0.0787 140 PHE A CD2   
1106 C CE1   . PHE A 142 ? 1.5054 2.4378 1.3457 0.4776  -0.1135 -0.1558 140 PHE A CE1   
1107 C CE2   . PHE A 142 ? 1.4228 2.3717 1.2895 0.4137  -0.0795 -0.1105 140 PHE A CE2   
1108 C CZ    . PHE A 142 ? 1.4818 2.4371 1.3274 0.4633  -0.0994 -0.1499 140 PHE A CZ    
1109 N N     . PRO A 143 ? 1.3226 2.0217 1.1705 0.3847  -0.1660 -0.0931 141 PRO A N     
1110 C CA    . PRO A 143 ? 1.3217 1.9708 1.1538 0.3734  -0.1864 -0.0977 141 PRO A CA    
1111 C C     . PRO A 143 ? 1.2654 1.9673 1.1137 0.3557  -0.1556 -0.0875 141 PRO A C     
1112 O O     . PRO A 143 ? 1.2508 2.0193 1.1040 0.3792  -0.1364 -0.1021 141 PRO A O     
1113 C CB    . PRO A 143 ? 1.3897 2.0100 1.1933 0.4228  -0.2209 -0.1402 141 PRO A CB    
1114 C CG    . PRO A 143 ? 1.3689 1.9773 1.1675 0.4485  -0.2351 -0.1521 141 PRO A CG    
1115 C CD    . PRO A 143 ? 1.3612 2.0388 1.1897 0.4290  -0.1941 -0.1247 141 PRO A CD    
1116 N N     . THR A 144 ? 1.1683 1.8390 1.0210 0.3146  -0.1538 -0.0649 142 THR A N     
1117 C CA    . THR A 144 ? 1.0103 1.7182 0.8769 0.2968  -0.1299 -0.0566 142 THR A CA    
1118 C C     . THR A 144 ? 0.9900 1.6484 0.8342 0.2909  -0.1546 -0.0679 142 THR A C     
1119 O O     . THR A 144 ? 1.0596 1.6470 0.8788 0.2809  -0.1878 -0.0694 142 THR A O     
1120 C CB    . THR A 144 ? 0.8608 1.5827 0.7534 0.2548  -0.1034 -0.0238 142 THR A CB    
1121 O OG1   . THR A 144 ? 0.8296 1.4910 0.7147 0.2261  -0.1212 -0.0108 142 THR A OG1   
1122 C CG2   . THR A 144 ? 0.8004 1.5696 0.7112 0.2580  -0.0800 -0.0114 142 THR A CG2   
1123 N N     . ARG A 145 ? 0.8982 1.5942 0.7488 0.2945  -0.1394 -0.0745 143 ARG A N     
1124 C CA    . ARG A 145 ? 0.9245 1.5822 0.7538 0.2924  -0.1602 -0.0878 143 ARG A CA    
1125 C C     . ARG A 145 ? 0.8966 1.5724 0.7439 0.2554  -0.1374 -0.0680 143 ARG A C     
1126 O O     . ARG A 145 ? 0.8683 1.5559 0.7371 0.2266  -0.1182 -0.0440 143 ARG A O     
1127 C CB    . ARG A 145 ? 0.9296 1.6138 0.7477 0.3389  -0.1670 -0.1212 143 ARG A CB    
1128 C CG    . ARG A 145 ? 0.9627 1.5909 0.7504 0.3469  -0.1993 -0.1426 143 ARG A CG    
1129 C CD    . ARG A 145 ? 1.0022 1.5846 0.7606 0.3916  -0.2382 -0.1769 143 ARG A CD    
1130 N NE    . ARG A 145 ? 1.0609 1.5931 0.8094 0.3859  -0.2592 -0.1690 143 ARG A NE    
1131 C CZ    . ARG A 145 ? 1.0987 1.5651 0.8188 0.4145  -0.3011 -0.1930 143 ARG A CZ    
1132 N NH1   . ARG A 145 ? 1.0735 1.5144 0.7718 0.4553  -0.3282 -0.2301 143 ARG A NH1   
1133 N NH2   . ARG A 145 ? 1.0977 1.5195 0.8113 0.4026  -0.3181 -0.1806 143 ARG A NH2   
1134 N N     . ALA A 146 ? 0.9234 1.5997 0.7627 0.2577  -0.1406 -0.0796 144 ALA A N     
1135 C CA    . ALA A 146 ? 0.8819 1.5713 0.7368 0.2256  -0.1226 -0.0647 144 ALA A CA    
1136 C C     . ALA A 146 ? 0.8443 1.6056 0.7254 0.2357  -0.0920 -0.0628 144 ALA A C     
1137 O O     . ALA A 146 ? 0.8619 1.6621 0.7410 0.2690  -0.0890 -0.0795 144 ALA A O     
1138 C CB    . ALA A 146 ? 0.9342 1.5763 0.7621 0.2154  -0.1462 -0.0760 144 ALA A CB    
1139 N N     . GLY A 147 ? 0.6979 1.4772 0.6020 0.2062  -0.0713 -0.0431 145 GLY A N     
1140 C CA    . GLY A 147 ? 0.5909 1.4284 0.5158 0.2076  -0.0472 -0.0367 145 GLY A CA    
1141 C C     . GLY A 147 ? 0.5510 1.4358 0.4911 0.2109  -0.0276 -0.0226 145 GLY A C     
1142 O O     . GLY A 147 ? 0.5353 1.4707 0.4872 0.2092  -0.0102 -0.0150 145 GLY A O     
1143 N N     . GLN A 148 ? 0.5282 1.3997 0.4657 0.2142  -0.0312 -0.0178 146 GLN A N     
1144 C CA    . GLN A 148 ? 0.4514 1.3648 0.4017 0.2096  -0.0119 -0.0001 146 GLN A CA    
1145 C C     . GLN A 148 ? 0.3651 1.2571 0.3304 0.1748  -0.0036 0.0251  146 GLN A C     
1146 O O     . GLN A 148 ? 0.3530 1.2669 0.3269 0.1632  0.0081  0.0437  146 GLN A O     
1147 C CB    . GLN A 148 ? 0.4708 1.3888 0.4119 0.2317  -0.0172 -0.0070 146 GLN A CB    
1148 C CG    . GLN A 148 ? 0.5526 1.4760 0.4738 0.2722  -0.0333 -0.0383 146 GLN A CG    
1149 C CD    . GLN A 148 ? 0.7374 1.5930 0.6412 0.2812  -0.0623 -0.0499 146 GLN A CD    
1150 O OE1   . GLN A 148 ? 0.7456 1.5544 0.6529 0.2538  -0.0686 -0.0334 146 GLN A OE1   
1151 N NE2   . GLN A 148 ? 0.7801 1.6303 0.6633 0.3202  -0.0821 -0.0794 146 GLN A NE2   
1152 N N     . ALA A 149 ? 0.3851 1.2305 0.3513 0.1569  -0.0132 0.0252  147 ALA A N     
1153 C CA    . ALA A 149 ? 0.3658 1.1921 0.3444 0.1285  -0.0071 0.0429  147 ALA A CA    
1154 C C     . ALA A 149 ? 0.3172 1.1745 0.3040 0.1192  0.0055  0.0557  147 ALA A C     
1155 O O     . ALA A 149 ? 0.3393 1.2186 0.3244 0.1256  0.0070  0.0486  147 ALA A O     
1156 C CB    . ALA A 149 ? 0.3779 1.1673 0.3547 0.1138  -0.0171 0.0356  147 ALA A CB    
1157 N N     . GLY A 150 ? 0.3074 1.1595 0.3015 0.1038  0.0094  0.0752  148 GLY A N     
1158 C CA    . GLY A 150 ? 0.3095 1.1749 0.3094 0.0914  0.0110  0.0908  148 GLY A CA    
1159 C C     . GLY A 150 ? 0.3241 1.2210 0.3250 0.0968  0.0139  0.1005  148 GLY A C     
1160 O O     . GLY A 150 ? 0.3252 1.2350 0.3341 0.0805  0.0143  0.1202  148 GLY A O     
1161 N N     . GLY A 151 ? 0.3377 1.2515 0.3306 0.1195  0.0148  0.0870  149 GLY A N     
1162 C CA    . GLY A 151 ? 0.3556 1.3067 0.3473 0.1286  0.0176  0.0917  149 GLY A CA    
1163 C C     . GLY A 151 ? 0.3480 1.2938 0.3501 0.1070  0.0190  0.1167  149 GLY A C     
1164 O O     . GLY A 151 ? 0.3301 1.2378 0.3375 0.0932  0.0172  0.1247  149 GLY A O     
1165 N N     . VAL A 152 ? 0.5773 0.6958 0.4864 -0.1475 -0.0618 0.0629  150 VAL A N     
1166 C CA    . VAL A 152 ? 0.5654 0.6718 0.4620 -0.1502 -0.0604 0.0598  150 VAL A CA    
1167 C C     . VAL A 152 ? 0.6039 0.7096 0.5041 -0.1555 -0.0582 0.0601  150 VAL A C     
1168 O O     . VAL A 152 ? 0.5298 0.6353 0.4325 -0.1577 -0.0572 0.0567  150 VAL A O     
1169 C CB    . VAL A 152 ? 0.5663 0.6576 0.4455 -0.1543 -0.0603 0.0553  150 VAL A CB    
1170 C CG1   . VAL A 152 ? 0.5638 0.6391 0.4273 -0.1574 -0.0602 0.0525  150 VAL A CG1   
1171 C CG2   . VAL A 152 ? 0.5820 0.6733 0.4557 -0.1456 -0.0659 0.0568  150 VAL A CG2   
1172 N N     . LEU A 153 ? 0.5679 0.6752 0.4680 -0.1554 -0.0591 0.0622  151 LEU A N     
1173 C CA    . LEU A 153 ? 0.5624 0.6692 0.4647 -0.1589 -0.0601 0.0635  151 LEU A CA    
1174 C C     . LEU A 153 ? 0.5422 0.6366 0.4301 -0.1650 -0.0573 0.0566  151 LEU A C     
1175 O O     . LEU A 153 ? 0.5439 0.6298 0.4193 -0.1664 -0.0570 0.0534  151 LEU A O     
1176 C CB    . LEU A 153 ? 0.5454 0.6621 0.4518 -0.1590 -0.0628 0.0697  151 LEU A CB    
1177 C CG    . LEU A 153 ? 0.5313 0.6516 0.4458 -0.1611 -0.0684 0.0761  151 LEU A CG    
1178 C CD1   . LEU A 153 ? 0.5292 0.6535 0.4601 -0.1570 -0.0739 0.0825  151 LEU A CD1   
1179 C CD2   . LEU A 153 ? 0.5868 0.7168 0.4974 -0.1656 -0.0697 0.0809  151 LEU A CD2   
1180 N N     . MET A 154 ? 0.5386 0.6320 0.4289 -0.1671 -0.0570 0.0519  152 MET A N     
1181 C CA    . MET A 154 ? 0.5749 0.6583 0.4505 -0.1754 -0.0526 0.0450  152 MET A CA    
1182 C C     . MET A 154 ? 0.5084 0.5973 0.3962 -0.1751 -0.0556 0.0379  152 MET A C     
1183 O O     . MET A 154 ? 0.5001 0.5994 0.4143 -0.1680 -0.0616 0.0349  152 MET A O     
1184 C CB    . MET A 154 ? 0.5543 0.6339 0.4210 -0.1806 -0.0471 0.0406  152 MET A CB    
1185 C CG    . MET A 154 ? 0.5565 0.6209 0.4053 -0.1874 -0.0456 0.0438  152 MET A CG    
1186 S SD    . MET A 154 ? 0.5885 0.6530 0.4296 -0.1944 -0.0418 0.0421  152 MET A SD    
1187 C CE    . MET A 154 ? 0.5284 0.6131 0.3925 -0.1816 -0.0445 0.0412  152 MET A CE    
1188 N N     . SER A 155 ? 0.6076 0.6885 0.4816 -0.1832 -0.0527 0.0338  153 SER A N     
1189 C CA    . SER A 155 ? 0.5681 0.6547 0.4561 -0.1852 -0.0544 0.0239  153 SER A CA    
1190 C C     . SER A 155 ? 0.5928 0.6676 0.4572 -0.1977 -0.0454 0.0185  153 SER A C     
1191 O O     . SER A 155 ? 0.5593 0.6177 0.3967 -0.2045 -0.0420 0.0250  153 SER A O     
1192 C CB    . SER A 155 ? 0.6311 0.7210 0.5244 -0.1842 -0.0623 0.0275  153 SER A CB    
1193 O OG    . SER A 155 ? 0.6395 0.7408 0.5622 -0.1823 -0.0691 0.0195  153 SER A OG    
1194 N N     . THR A 156 ? 0.5936 0.6757 0.4724 -0.2019 -0.0424 0.0062  154 THR A N     
1195 C CA    . THR A 156 ? 0.6054 0.6776 0.4600 -0.2168 -0.0324 0.0012  154 THR A CA    
1196 C C     . THR A 156 ? 0.6398 0.6901 0.4623 -0.2260 -0.0324 0.0083  154 THR A C     
1197 O O     . THR A 156 ? 0.7195 0.7695 0.5480 -0.2249 -0.0376 0.0068  154 THR A O     
1198 C CB    . THR A 156 ? 0.6145 0.7009 0.4968 -0.2203 -0.0296 -0.0139 154 THR A CB    
1199 O OG1   . THR A 156 ? 0.6058 0.7088 0.5187 -0.2145 -0.0279 -0.0231 154 THR A OG1   
1200 C CG2   . THR A 156 ? 0.6370 0.7123 0.4898 -0.2384 -0.0189 -0.0176 154 THR A CG2   
1201 N N     . GLY A 157 ? 0.6386 0.6684 0.4287 -0.2360 -0.0279 0.0154  155 GLY A N     
1202 C CA    . GLY A 157 ? 0.6576 0.6594 0.4208 -0.2448 -0.0301 0.0206  155 GLY A CA    
1203 C C     . GLY A 157 ? 0.6469 0.6432 0.4159 -0.2344 -0.0383 0.0254  155 GLY A C     
1204 O O     . GLY A 157 ? 0.6702 0.6417 0.4194 -0.2389 -0.0419 0.0248  155 GLY A O     
1205 N N     . LYS A 158 ? 0.6027 0.6202 0.3962 -0.2203 -0.0419 0.0279  156 LYS A N     
1206 C CA    . LYS A 158 ? 0.6232 0.6412 0.4216 -0.2103 -0.0485 0.0300  156 LYS A CA    
1207 C C     . LYS A 158 ? 0.5798 0.6106 0.3940 -0.1991 -0.0504 0.0356  156 LYS A C     
1208 O O     . LYS A 158 ? 0.5493 0.5977 0.3813 -0.1950 -0.0491 0.0381  156 LYS A O     
1209 C CB    . LYS A 158 ? 0.6086 0.6411 0.4181 -0.2068 -0.0525 0.0271  156 LYS A CB    
1210 C CG    . LYS A 158 ? 0.5830 0.6364 0.4152 -0.2042 -0.0543 0.0263  156 LYS A CG    
1211 C CD    . LYS A 158 ? 0.5785 0.6348 0.4128 -0.2096 -0.0580 0.0194  156 LYS A CD    
1212 C CE    . LYS A 158 ? 0.5942 0.6344 0.4055 -0.2159 -0.0586 0.0154  156 LYS A CE    
1213 N NZ    . LYS A 158 ? 0.5751 0.5998 0.3730 -0.2281 -0.0552 0.0067  156 LYS A NZ    
1214 N N     . VAL A 159 ? 0.5791 0.5996 0.3846 -0.1921 -0.0545 0.0358  157 VAL A N     
1215 C CA    . VAL A 159 ? 0.6230 0.6591 0.4434 -0.1784 -0.0573 0.0393  157 VAL A CA    
1216 C C     . VAL A 159 ? 0.6021 0.6521 0.4278 -0.1713 -0.0596 0.0382  157 VAL A C     
1217 O O     . VAL A 159 ? 0.5821 0.6226 0.3893 -0.1691 -0.0614 0.0323  157 VAL A O     
1218 C CB    . VAL A 159 ? 0.6379 0.6600 0.4436 -0.1708 -0.0613 0.0400  157 VAL A CB    
1219 C CG1   . VAL A 159 ? 0.5756 0.6123 0.3981 -0.1648 -0.0614 0.0447  157 VAL A CG1   
1220 C CG2   . VAL A 159 ? 0.6532 0.6452 0.4321 -0.1825 -0.0620 0.0392  157 VAL A CG2   
1221 N N     . LEU A 160 ? 0.5961 0.6672 0.4429 -0.1687 -0.0596 0.0441  158 LEU A N     
1222 C CA    . LEU A 160 ? 0.6190 0.7051 0.4693 -0.1667 -0.0618 0.0456  158 LEU A CA    
1223 C C     . LEU A 160 ? 0.6223 0.7218 0.4753 -0.1573 -0.0624 0.0477  158 LEU A C     
1224 O O     . LEU A 160 ? 0.6477 0.7559 0.4907 -0.1554 -0.0628 0.0448  158 LEU A O     
1225 C CB    . LEU A 160 ? 0.6079 0.7066 0.4752 -0.1716 -0.0638 0.0536  158 LEU A CB    
1226 C CG    . LEU A 160 ? 0.5499 0.6426 0.4200 -0.1768 -0.0641 0.0525  158 LEU A CG    
1227 C CD1   . LEU A 160 ? 0.5418 0.6464 0.4306 -0.1745 -0.0705 0.0600  158 LEU A CD1   
1228 C CD2   . LEU A 160 ? 0.5078 0.5915 0.3633 -0.1837 -0.0643 0.0449  158 LEU A CD2   
1229 N N     . GLY A 161 ? 0.5530 0.6566 0.4172 -0.1523 -0.0621 0.0518  159 GLY A N     
1230 C CA    . GLY A 161 ? 0.5677 0.6870 0.4348 -0.1443 -0.0625 0.0543  159 GLY A CA    
1231 C C     . GLY A 161 ? 0.5209 0.6435 0.4011 -0.1406 -0.0628 0.0587  159 GLY A C     
1232 O O     . GLY A 161 ? 0.5991 0.7103 0.4820 -0.1436 -0.0624 0.0583  159 GLY A O     
1233 N N     . ILE A 162 ? 0.5217 0.6627 0.4084 -0.1358 -0.0632 0.0626  160 ILE A N     
1234 C CA    . ILE A 162 ? 0.5240 0.6720 0.4232 -0.1327 -0.0643 0.0669  160 ILE A CA    
1235 C C     . ILE A 162 ? 0.4687 0.6388 0.3857 -0.1389 -0.0634 0.0768  160 ILE A C     
1236 O O     . ILE A 162 ? 0.5090 0.6983 0.4251 -0.1404 -0.0625 0.0797  160 ILE A O     
1237 C CB    . ILE A 162 ? 0.5513 0.7005 0.4386 -0.1210 -0.0674 0.0639  160 ILE A CB    
1238 C CG1   . ILE A 162 ? 0.5791 0.7018 0.4505 -0.1177 -0.0705 0.0594  160 ILE A CG1   
1239 C CG2   . ILE A 162 ? 0.5288 0.6991 0.4319 -0.1190 -0.0688 0.0700  160 ILE A CG2   
1240 C CD1   . ILE A 162 ? 0.6071 0.7228 0.4573 -0.1061 -0.0767 0.0576  160 ILE A CD1   
1241 N N     . HIS A 163 ? 0.5985 0.7658 0.5282 -0.1436 -0.0637 0.0826  161 HIS A N     
1242 C CA    . HIS A 163 ? 0.4672 0.6487 0.4098 -0.1500 -0.0646 0.0949  161 HIS A CA    
1243 C C     . HIS A 163 ? 0.9798 1.1852 0.9274 -0.1483 -0.0641 0.0986  161 HIS A C     
1244 O O     . HIS A 163 ? 0.4914 0.6977 0.4378 -0.1402 -0.0651 0.0931  161 HIS A O     
1245 C CB    . HIS A 163 ? 0.5315 0.6996 0.4801 -0.1499 -0.0675 0.0971  161 HIS A CB    
1246 C CG    . HIS A 163 ? 0.5589 0.7327 0.5179 -0.1539 -0.0725 0.1099  161 HIS A CG    
1247 N ND1   . HIS A 163 ? 0.6314 0.7962 0.5952 -0.1567 -0.0792 0.1172  161 HIS A ND1   
1248 C CD2   . HIS A 163 ? 0.5965 0.7828 0.5630 -0.1549 -0.0745 0.1172  161 HIS A CD2   
1249 C CE1   . HIS A 163 ? 0.6683 0.8378 0.6429 -0.1597 -0.0860 0.1291  161 HIS A CE1   
1250 N NE2   . HIS A 163 ? 0.6623 0.8448 0.6374 -0.1593 -0.0825 0.1293  161 HIS A NE2   
1251 N N     . VAL A 164 ? 0.5124 0.7404 0.4646 -0.1568 -0.0633 0.1087  162 VAL A N     
1252 C CA    . VAL A 164 ? 0.5180 0.7772 0.4748 -0.1575 -0.0617 0.1132  162 VAL A CA    
1253 C C     . VAL A 164 ? 0.5186 0.7939 0.4853 -0.1707 -0.0627 0.1313  162 VAL A C     
1254 O O     . VAL A 164 ? 0.5295 0.8339 0.5001 -0.1729 -0.0612 0.1363  162 VAL A O     
1255 C CB    . VAL A 164 ? 0.5099 0.7912 0.4551 -0.1547 -0.0589 0.1059  162 VAL A CB    
1256 C CG1   . VAL A 164 ? 0.5060 0.7631 0.4330 -0.1413 -0.0597 0.0906  162 VAL A CG1   
1257 C CG2   . VAL A 164 ? 0.5381 0.8339 0.4821 -0.1685 -0.0582 0.1129  162 VAL A CG2   
1258 N N     . GLY A 165 ? 0.5038 0.7550 0.4720 -0.1724 -0.0686 0.1374  163 GLY A N     
1259 C CA    . GLY A 165 ? 0.5648 0.8200 0.5392 -0.1780 -0.0752 0.1518  163 GLY A CA    
1260 C C     . GLY A 165 ? 0.6137 0.8469 0.5904 -0.1813 -0.0839 0.1601  163 GLY A C     
1261 O O     . GLY A 165 ? 0.6077 0.8270 0.5801 -0.1799 -0.0835 0.1541  163 GLY A O     
1262 N N     . GLY A 166 ? 0.6957 1.1919 0.4488 -0.2664 0.0197  -0.1374 164 GLY A N     
1263 C CA    . GLY A 166 ? 0.8037 1.2430 0.5058 -0.2468 0.0120  -0.1367 164 GLY A CA    
1264 C C     . GLY A 166 ? 0.8982 1.2865 0.5434 -0.2643 0.0123  -0.1359 164 GLY A C     
1265 O O     . GLY A 166 ? 0.9232 1.3248 0.5720 -0.2959 0.0187  -0.1358 164 GLY A O     
1266 N N     . ASN A 167 ? 0.9381 1.2688 0.5284 -0.2437 0.0056  -0.1355 165 ASN A N     
1267 C CA    . ASN A 167 ? 1.0113 1.2823 0.5372 -0.2572 0.0055  -0.1344 165 ASN A CA    
1268 C C     . ASN A 167 ? 1.1350 1.3406 0.5976 -0.2223 -0.0042 -0.1348 165 ASN A C     
1269 O O     . ASN A 167 ? 1.1905 1.3840 0.6387 -0.1983 -0.0076 -0.1354 165 ASN A O     
1270 C CB    . ASN A 167 ? 1.0389 1.3183 0.5650 -0.2766 0.0124  -0.1339 165 ASN A CB    
1271 C CG    . ASN A 167 ? 1.0903 1.3984 0.6467 -0.2541 0.0115  -0.1348 165 ASN A CG    
1272 O OD1   . ASN A 167 ? 1.0585 1.3391 0.5910 -0.2214 0.0039  -0.1352 165 ASN A OD1   
1273 N ND2   . ASN A 167 ? 1.0720 1.4360 0.6783 -0.2720 0.0193  -0.1355 165 ASN A ND2   
1274 N N     . GLY A 168 ? 1.2340 1.3965 0.6546 -0.2187 -0.0088 -0.1349 166 GLY A N     
1275 C CA    . GLY A 168 ? 1.3198 1.4198 0.6734 -0.1825 -0.0179 -0.1362 166 GLY A CA    
1276 C C     . GLY A 168 ? 1.3783 1.4896 0.7416 -0.1404 -0.0248 -0.1381 166 GLY A C     
1277 O O     . GLY A 168 ? 1.3902 1.5050 0.7591 -0.1286 -0.0279 -0.1388 166 GLY A O     
1278 N N     . HIS A 169 ? 1.3343 1.4481 0.6955 -0.1198 -0.0271 -0.1386 167 HIS A N     
1279 C CA    . HIS A 169 ? 1.3891 1.5125 0.7569 -0.0874 -0.0326 -0.1395 167 HIS A CA    
1280 C C     . HIS A 169 ? 1.2830 1.4793 0.7274 -0.0968 -0.0281 -0.1389 167 HIS A C     
1281 O O     . HIS A 169 ? 1.3183 1.5292 0.7703 -0.0766 -0.0317 -0.1395 167 HIS A O     
1282 C CB    . HIS A 169 ? 1.5238 1.5833 0.8152 -0.0519 -0.0411 -0.1408 167 HIS A CB    
1283 C CG    . HIS A 169 ? 1.6550 1.6866 0.9137 -0.0252 -0.0468 -0.1408 167 HIS A CG    
1284 N ND1   . HIS A 169 ? 1.7711 1.7240 0.9512 -0.0013 -0.0527 -0.1401 167 HIS A ND1   
1285 C CD2   . HIS A 169 ? 1.6694 1.7580 0.9814 -0.0240 -0.0449 -0.1405 167 HIS A CD2   
1286 C CE1   . HIS A 169 ? 1.9050 1.8602 1.0806 -0.0089 -0.0505 -0.1385 167 HIS A CE1   
1287 N NE2   . HIS A 169 ? 1.8114 1.8610 1.0725 -0.0084 -0.0480 -0.1407 167 HIS A NE2   
1288 N N     . GLN A 170 ? 1.1622 1.4076 0.6633 -0.1273 -0.0202 -0.1380 168 GLN A N     
1289 C CA    . GLN A 170 ? 1.0538 1.3664 0.6238 -0.1334 -0.0162 -0.1380 168 GLN A CA    
1290 C C     . GLN A 170 ? 0.9306 1.2964 0.5608 -0.1565 -0.0094 -0.1376 168 GLN A C     
1291 O O     . GLN A 170 ? 0.9601 1.3184 0.5850 -0.1795 -0.0053 -0.1370 168 GLN A O     
1292 C CB    . GLN A 170 ? 1.0751 1.3849 0.6401 -0.1415 -0.0136 -0.1377 168 GLN A CB    
1293 C CG    . GLN A 170 ? 1.1781 1.4263 0.6738 -0.1176 -0.0208 -0.1381 168 GLN A CG    
1294 C CD    . GLN A 170 ? 1.1868 1.3959 0.6413 -0.1318 -0.0176 -0.1374 168 GLN A CD    
1295 O OE1   . GLN A 170 ? 1.1283 1.3634 0.6088 -0.1463 -0.0124 -0.1369 168 GLN A OE1   
1296 N NE2   . GLN A 170 ? 1.2358 1.3841 0.6254 -0.1285 -0.0202 -0.1374 168 GLN A NE2   
1297 N N     . GLY A 171 ? 0.8326 1.2519 0.5173 -0.1508 -0.0082 -0.1380 169 GLY A N     
1298 C CA    . GLY A 171 ? 0.7125 1.1788 0.4499 -0.1677 -0.0021 -0.1378 169 GLY A CA    
1299 C C     . GLY A 171 ? 0.5826 1.1008 0.3719 -0.1715 0.0026  -0.1380 169 GLY A C     
1300 O O     . GLY A 171 ? 0.5953 1.1253 0.3924 -0.1568 -0.0003 -0.1385 169 GLY A O     
1301 N N     . PHE A 172 ? 0.5272 1.0757 0.3488 -0.1909 0.0098  -0.1378 170 PHE A N     
1302 C CA    . PHE A 172 ? 0.4841 1.0727 0.3448 -0.1940 0.0149  -0.1382 170 PHE A CA    
1303 C C     . PHE A 172 ? 0.4055 1.0322 0.3068 -0.1979 0.0207  -0.1381 170 PHE A C     
1304 O O     . PHE A 172 ? 0.4042 1.0346 0.3088 -0.2090 0.0240  -0.1382 170 PHE A O     
1305 C CB    . PHE A 172 ? 0.5416 1.1304 0.3965 -0.2106 0.0194  -0.1387 170 PHE A CB    
1306 C CG    . PHE A 172 ? 0.5325 1.0780 0.3412 -0.2080 0.0152  -0.1384 170 PHE A CG    
1307 C CD1   . PHE A 172 ? 0.6115 1.1135 0.3751 -0.2153 0.0135  -0.1378 170 PHE A CD1   
1308 C CD2   . PHE A 172 ? 0.5262 1.0696 0.3313 -0.1979 0.0130  -0.1386 170 PHE A CD2   
1309 C CE1   . PHE A 172 ? 0.6643 1.1186 0.3773 -0.2113 0.0103  -0.1374 170 PHE A CE1   
1310 C CE2   . PHE A 172 ? 0.5762 1.0751 0.3336 -0.1934 0.0094  -0.1383 170 PHE A CE2   
1311 C CZ    . PHE A 172 ? 0.6517 1.1043 0.3613 -0.1995 0.0084  -0.1376 170 PHE A CZ    
1312 N N     . SER A 173 ? 0.3764 1.0285 0.3040 -0.1892 0.0226  -0.1381 171 SER A N     
1313 C CA    . SER A 173 ? 0.3446 1.0243 0.3017 -0.1899 0.0291  -0.1380 171 SER A CA    
1314 C C     . SER A 173 ? 0.3285 1.0273 0.3014 -0.1920 0.0343  -0.1387 171 SER A C     
1315 O O     . SER A 173 ? 0.3301 1.0279 0.3013 -0.1864 0.0318  -0.1387 171 SER A O     
1316 C CB    . SER A 173 ? 0.3328 1.0197 0.2987 -0.1777 0.0273  -0.1374 171 SER A CB    
1317 O OG    . SER A 173 ? 0.3428 1.0179 0.2988 -0.1756 0.0241  -0.1372 171 SER A OG    
1318 N N     . ALA A 174 ? 0.3253 1.0224 0.3029 -0.1940 0.0369  -0.1385 172 ALA A N     
1319 C CA    . ALA A 174 ? 0.3201 1.0159 0.3031 -0.1870 0.0368  -0.1387 172 ALA A CA    
1320 C C     . ALA A 174 ? 0.3115 1.0034 0.2986 -0.1770 0.0351  -0.1373 172 ALA A C     
1321 O O     . ALA A 174 ? 0.3078 0.9951 0.2961 -0.1735 0.0346  -0.1360 172 ALA A O     
1322 C CB    . ALA A 174 ? 0.3217 1.0178 0.3072 -0.1867 0.0382  -0.1398 172 ALA A CB    
1323 N N     . ALA A 175 ? 0.3104 1.0062 0.2984 -0.1745 0.0344  -0.1378 173 ALA A N     
1324 C CA    . ALA A 175 ? 0.3224 1.0169 0.3123 -0.1693 0.0334  -0.1367 173 ALA A CA    
1325 C C     . ALA A 175 ? 0.3343 1.0228 0.3257 -0.1674 0.0339  -0.1370 173 ALA A C     
1326 O O     . ALA A 175 ? 0.3477 1.0369 0.3403 -0.1675 0.0346  -0.1388 173 ALA A O     
1327 C CB    . ALA A 175 ? 0.3099 1.0123 0.2989 -0.1697 0.0327  -0.1378 173 ALA A CB    
1328 N N     . LEU A 176 ? 0.3501 1.0369 0.3410 -0.1665 0.0336  -0.1359 174 LEU A N     
1329 C CA    . LEU A 176 ? 0.3879 1.0722 0.3787 -0.1666 0.0338  -0.1370 174 LEU A CA    
1330 C C     . LEU A 176 ? 0.3748 1.0646 0.3626 -0.1710 0.0335  -0.1380 174 LEU A C     
1331 O O     . LEU A 176 ? 0.3908 1.0816 0.3760 -0.1747 0.0336  -0.1360 174 LEU A O     
1332 C CB    . LEU A 176 ? 0.3978 1.0761 0.3887 -0.1658 0.0340  -0.1352 174 LEU A CB    
1333 C CG    . LEU A 176 ? 0.3672 1.0427 0.3598 -0.1639 0.0343  -0.1363 174 LEU A CG    
1334 C CD1   . LEU A 176 ? 0.3695 1.0404 0.3617 -0.1638 0.0344  -0.1344 174 LEU A CD1   
1335 C CD2   . LEU A 176 ? 0.3797 1.0605 0.3732 -0.1629 0.0340  -0.1397 174 LEU A CD2   
1336 N N     . LEU A 177 ? 0.3811 1.0781 0.3685 -0.1721 0.0332  -0.1416 175 LEU A N     
1337 C CA    . LEU A 177 ? 0.4520 1.1357 0.4265 -0.1751 0.0275  -0.1419 175 LEU A CA    
1338 C C     . LEU A 177 ? 0.4433 1.1087 0.4054 -0.1757 0.0216  -0.1431 175 LEU A C     
1339 O O     . LEU A 177 ? 0.4421 1.1079 0.4065 -0.1703 0.0211  -0.1453 175 LEU A O     
1340 C CB    . LEU A 177 ? 0.4922 1.1718 0.4611 -0.1716 0.0237  -0.1444 175 LEU A CB    
1341 C CG    . LEU A 177 ? 0.5192 1.2079 0.4923 -0.1725 0.0259  -0.1433 175 LEU A CG    
1342 C CD1   . LEU A 177 ? 0.5417 1.2340 0.5150 -0.1771 0.0270  -0.1400 175 LEU A CD1   
1343 C CD2   . LEU A 177 ? 0.4670 1.1730 0.4527 -0.1708 0.0314  -0.1441 175 LEU A CD2   
1344 N N     . LYS A 178 ? 0.4678 1.1163 0.4140 -0.1832 0.0164  -0.1418 176 LYS A N     
1345 C CA    . LYS A 178 ? 0.4849 1.1074 0.4108 -0.1857 0.0087  -0.1429 176 LYS A CA    
1346 C C     . LYS A 178 ? 0.5403 1.1422 0.4493 -0.1742 0.0005  -0.1479 176 LYS A C     
1347 O O     . LYS A 178 ? 0.5605 1.1494 0.4595 -0.1680 -0.0038 -0.1504 176 LYS A O     
1348 C CB    . LYS A 178 ? 0.5607 1.1677 0.4681 -0.1991 0.0042  -0.1409 176 LYS A CB    
1349 C CG    . LYS A 178 ? 0.5483 1.1700 0.4616 -0.2123 0.0097  -0.1373 176 LYS A CG    
1350 C CD    . LYS A 178 ? 0.6052 1.2036 0.4916 -0.2281 0.0026  -0.1366 176 LYS A CD    
1351 C CE    . LYS A 178 ? 0.5970 1.2232 0.4917 -0.2446 0.0098  -0.1330 176 LYS A CE    
1352 N NZ    . LYS A 178 ? 0.5399 1.2055 0.4632 -0.2368 0.0209  -0.1317 176 LYS A NZ    
1353 N N     . HIS A 179 ? 0.5997 1.1982 0.5026 -0.1693 -0.0020 -0.1499 177 HIS A N     
1354 C CA    . HIS A 179 ? 0.6272 1.2030 0.5059 -0.1566 -0.0105 -0.1553 177 HIS A CA    
1355 C C     . HIS A 179 ? 0.6129 1.2102 0.5058 -0.1440 -0.0080 -0.1594 177 HIS A C     
1356 O O     . HIS A 179 ? 0.6395 1.2191 0.5095 -0.1308 -0.0154 -0.1644 177 HIS A O     
1357 C CB    . HIS A 179 ? 0.6473 1.2172 0.5154 -0.1526 -0.0130 -0.1571 177 HIS A CB    
1358 C CG    . HIS A 179 ? 0.6069 1.2140 0.5051 -0.1523 -0.0039 -0.1565 177 HIS A CG    
1359 N ND1   . HIS A 179 ? 0.5830 1.2094 0.5018 -0.1622 0.0033  -0.1518 177 HIS A ND1   
1360 C CD2   . HIS A 179 ? 0.5983 1.2268 0.5065 -0.1431 -0.0008 -0.1603 177 HIS A CD2   
1361 C CE1   . HIS A 179 ? 0.5652 1.2152 0.5006 -0.1595 0.0092  -0.1526 177 HIS A CE1   
1362 N NE2   . HIS A 179 ? 0.5835 1.2379 0.5150 -0.1497 0.0073  -0.1576 177 HIS A NE2   
1363 N N     . TYR A 180 ? 0.5235 1.1570 0.4493 -0.1469 0.0019  -0.1576 178 TYR A N     
1364 C CA    . TYR A 180 ? 0.5034 1.1623 0.4436 -0.1375 0.0045  -0.1619 178 TYR A CA    
1365 C C     . TYR A 180 ? 0.5229 1.1635 0.4466 -0.1295 -0.0029 -0.1647 178 TYR A C     
1366 O O     . TYR A 180 ? 0.5161 1.1749 0.4443 -0.1177 -0.0041 -0.1701 178 TYR A O     
1367 C CB    . TYR A 180 ? 0.4686 1.1589 0.4379 -0.1448 0.0157  -0.1589 178 TYR A CB    
1368 C CG    . TYR A 180 ? 0.4218 1.1307 0.4046 -0.1509 0.0230  -0.1569 178 TYR A CG    
1369 C CD1   . TYR A 180 ? 0.4396 1.1433 0.4143 -0.1497 0.0201  -0.1580 178 TYR A CD1   
1370 C CD2   . TYR A 180 ? 0.4063 1.1321 0.4044 -0.1575 0.0317  -0.1539 178 TYR A CD2   
1371 C CE1   . TYR A 180 ? 0.4465 1.1641 0.4310 -0.1554 0.0256  -0.1562 178 TYR A CE1   
1372 C CE2   . TYR A 180 ? 0.4088 1.1290 0.4067 -0.1601 0.0329  -0.1509 178 TYR A CE2   
1373 C CZ    . TYR A 180 ? 0.4183 1.1472 0.4153 -0.1614 0.0326  -0.1529 178 TYR A CZ    
1374 O OH    . TYR A 180 ? 0.3666 1.0909 0.3625 -0.1647 0.0334  -0.1503 178 TYR A OH    
1375 N N     . PHE A 181 ? 0.5386 1.1459 0.4425 -0.1360 -0.0080 -0.1616 179 PHE A N     
1376 C CA    . PHE A 181 ? 0.5579 1.1397 0.4398 -0.1301 -0.0158 -0.1636 179 PHE A CA    
1377 C C     . PHE A 181 ? 0.6092 1.1381 0.4431 -0.1271 -0.0276 -0.1652 179 PHE A C     
1378 O O     . PHE A 181 ? 0.6428 1.1593 0.4616 -0.1247 -0.0304 -0.1664 179 PHE A O     
1379 C CB    . PHE A 181 ? 0.5143 1.1001 0.4092 -0.1420 -0.0109 -0.1588 179 PHE A CB    
1380 C CG    . PHE A 181 ? 0.4545 1.0812 0.3864 -0.1461 0.0011  -0.1564 179 PHE A CG    
1381 C CD1   . PHE A 181 ? 0.4388 1.0870 0.3850 -0.1389 0.0035  -0.1593 179 PHE A CD1   
1382 C CD2   . PHE A 181 ? 0.4761 1.1175 0.4235 -0.1564 0.0095  -0.1518 179 PHE A CD2   
1383 C CE1   . PHE A 181 ? 0.4257 1.1034 0.3969 -0.1439 0.0141  -0.1571 179 PHE A CE1   
1384 C CE2   . PHE A 181 ? 0.4312 1.1002 0.4018 -0.1585 0.0195  -0.1500 179 PHE A CE2   
1385 C CZ    . PHE A 181 ? 0.3901 1.0746 0.3708 -0.1533 0.0219  -0.1524 179 PHE A CZ    
1386 N N     . ASN A 182 ? 0.6356 1.1284 0.4399 -0.1270 -0.0350 -0.1654 180 ASN A N     
1387 C CA    . ASN A 182 ? 0.6966 1.1279 0.4429 -0.1228 -0.0473 -0.1675 180 ASN A CA    
1388 C C     . ASN A 182 ? 0.7375 1.1505 0.4539 -0.1005 -0.0542 -0.1739 180 ASN A C     
1389 O O     . ASN A 182 ? 0.7503 1.1546 0.4491 -0.0824 -0.0592 -0.1789 180 ASN A O     
1390 C CB    . ASN A 182 ? 0.7071 1.1218 0.4436 -0.1425 -0.0472 -0.1631 180 ASN A CB    
1391 C CG    . ASN A 182 ? 0.8367 1.2397 0.5578 -0.1383 -0.0502 -0.1647 180 ASN A CG    
1392 O OD1   . ASN A 182 ? 0.7738 1.2136 0.5294 -0.1451 -0.0423 -0.1623 180 ASN A OD1   
1393 N ND2   . ASN A 182 ? 0.9335 1.2794 0.5965 -0.1261 -0.0620 -0.1689 180 ASN A ND2   
1394 N N     . PRO B 4   ? 0.9011 1.5097 1.0220 -0.0618 -0.0029 -0.0077 2   PRO B N     
1395 C CA    . PRO B 4   ? 0.8978 1.5061 1.0164 -0.0628 -0.0026 -0.0081 2   PRO B CA    
1396 C C     . PRO B 4   ? 0.9050 1.5114 1.0101 -0.0647 -0.0030 -0.0054 2   PRO B C     
1397 O O     . PRO B 4   ? 0.8800 1.4841 0.9733 -0.0680 -0.0022 -0.0031 2   PRO B O     
1398 C CB    . PRO B 4   ? 0.8696 1.4778 0.9882 -0.0656 -0.0008 -0.0088 2   PRO B CB    
1399 C CG    . PRO B 4   ? 0.8698 1.4792 0.9945 -0.0649 -0.0001 -0.0107 2   PRO B CG    
1400 C CD    . PRO B 4   ? 0.9118 1.5197 1.0338 -0.0639 -0.0013 -0.0087 2   PRO B CD    
1401 N N     . ALA B 5   ? 0.7858 1.3939 0.8938 -0.0625 -0.0042 -0.0064 3   ALA B N     
1402 C CA    . ALA B 5   ? 0.6476 1.2549 0.7462 -0.0639 -0.0043 -0.0051 3   ALA B CA    
1403 C C     . ALA B 5   ? 0.5322 1.1369 0.6289 -0.0669 -0.0034 -0.0042 3   ALA B C     
1404 O O     . ALA B 5   ? 0.4486 1.0518 0.5345 -0.0693 -0.0031 -0.0019 3   ALA B O     
1405 C CB    . ALA B 5   ? 0.5829 1.1936 0.6888 -0.0605 -0.0059 -0.0080 3   ALA B CB    
1406 N N     . PHE B 6   ? 0.5634 1.1688 0.6715 -0.0669 -0.0030 -0.0055 4   PHE B N     
1407 C CA    . PHE B 6   ? 0.5054 1.1103 0.6148 -0.0696 -0.0021 -0.0037 4   PHE B CA    
1408 C C     . PHE B 6   ? 0.4505 1.0543 0.5464 -0.0730 -0.0010 -0.0011 4   PHE B C     
1409 O O     . PHE B 6   ? 0.3960 0.9989 0.4844 -0.0754 -0.0009 0.0016  4   PHE B O     
1410 C CB    . PHE B 6   ? 0.4960 1.1037 0.6218 -0.0684 -0.0018 -0.0055 4   PHE B CB    
1411 C CG    . PHE B 6   ? 0.4781 1.0874 0.6064 -0.0712 -0.0005 -0.0029 4   PHE B CG    
1412 C CD1   . PHE B 6   ? 0.4776 1.0860 0.6051 -0.0731 -0.0008 0.0002  4   PHE B CD1   
1413 C CD2   . PHE B 6   ? 0.4877 1.1007 0.6211 -0.0715 0.0009  -0.0036 4   PHE B CD2   
1414 C CE1   . PHE B 6   ? 0.4727 1.0841 0.6035 -0.0756 0.0003  0.0037  4   PHE B CE1   
1415 C CE2   . PHE B 6   ? 0.4731 1.0897 0.6087 -0.0739 0.0022  -0.0008 4   PHE B CE2   
1416 C CZ    . PHE B 6   ? 0.4777 1.0936 0.6118 -0.0760 0.0018  0.0033  4   PHE B CZ    
1417 N N     . GLU B 7   ? 0.4483 1.0527 0.5421 -0.0731 -0.0003 -0.0022 5   GLU B N     
1418 C CA    . GLU B 7   ? 0.4530 1.0574 0.5363 -0.0764 0.0006  -0.0010 5   GLU B CA    
1419 C C     . GLU B 7   ? 0.4453 1.0472 0.5145 -0.0783 0.0000  0.0014  5   GLU B C     
1420 O O     . GLU B 7   ? 0.4467 1.0488 0.5065 -0.0813 0.0002  0.0033  5   GLU B O     
1421 C CB    . GLU B 7   ? 0.5364 1.1426 0.6251 -0.0757 0.0015  -0.0040 5   GLU B CB    
1422 C CG    . GLU B 7   ? 0.5404 1.1456 0.6202 -0.0781 0.0018  -0.0041 5   GLU B CG    
1423 C CD    . GLU B 7   ? 0.5856 1.1919 0.6755 -0.0765 0.0024  -0.0074 5   GLU B CD    
1424 O OE1   . GLU B 7   ? 0.6544 1.2646 0.7526 -0.0758 0.0036  -0.0105 5   GLU B OE1   
1425 O OE2   . GLU B 7   ? 0.5402 1.1444 0.6311 -0.0757 0.0017  -0.0067 5   GLU B OE2   
1426 N N     . PHE B 8   ? 0.4778 1.0784 0.5456 -0.0766 -0.0007 0.0016  6   PHE B N     
1427 C CA    . PHE B 8   ? 0.4029 1.0023 0.4583 -0.0784 -0.0011 0.0043  6   PHE B CA    
1428 C C     . PHE B 8   ? 0.3523 0.9515 0.4033 -0.0789 -0.0015 0.0058  6   PHE B C     
1429 O O     . PHE B 8   ? 0.3688 0.9675 0.4093 -0.0814 -0.0016 0.0081  6   PHE B O     
1430 C CB    . PHE B 8   ? 0.4170 1.0169 0.4733 -0.0764 -0.0017 0.0048  6   PHE B CB    
1431 C CG    . PHE B 8   ? 0.4077 1.0084 0.4537 -0.0770 -0.0022 0.0076  6   PHE B CG    
1432 C CD1   . PHE B 8   ? 0.3804 0.9827 0.4262 -0.0751 -0.0026 0.0070  6   PHE B CD1   
1433 C CD2   . PHE B 8   ? 0.3952 0.9959 0.4341 -0.0793 -0.0023 0.0105  6   PHE B CD2   
1434 C CE1   . PHE B 8   ? 0.3406 0.9452 0.3776 -0.0754 -0.0028 0.0089  6   PHE B CE1   
1435 C CE2   . PHE B 8   ? 0.3932 0.9960 0.4232 -0.0798 -0.0027 0.0134  6   PHE B CE2   
1436 C CZ    . PHE B 8   ? 0.3747 0.9798 0.4031 -0.0777 -0.0028 0.0124  6   PHE B CZ    
1437 N N     . ALA B 9   ? 0.3687 0.9685 0.4294 -0.0764 -0.0019 0.0042  7   ALA B N     
1438 C CA    . ALA B 9   ? 0.3323 0.9321 0.3923 -0.0768 -0.0023 0.0052  7   ALA B CA    
1439 C C     . ALA B 9   ? 0.3786 0.9781 0.4370 -0.0796 -0.0019 0.0078  7   ALA B C     
1440 O O     . ALA B 9   ? 0.3712 0.9705 0.4241 -0.0810 -0.0022 0.0100  7   ALA B O     
1441 C CB    . ALA B 9   ? 0.3612 0.9622 0.4352 -0.0736 -0.0030 0.0022  7   ALA B CB    
1442 N N     . VAL B 10  ? 0.3912 0.9918 0.4549 -0.0804 -0.0014 0.0078  8   VAL B N     
1443 C CA    . VAL B 10  ? 0.3861 0.9884 0.4465 -0.0833 -0.0011 0.0110  8   VAL B CA    
1444 C C     . VAL B 10  ? 0.3477 0.9501 0.3923 -0.0861 -0.0012 0.0124  8   VAL B C     
1445 O O     . VAL B 10  ? 0.3353 0.9386 0.3736 -0.0881 -0.0016 0.0155  8   VAL B O     
1446 C CB    . VAL B 10  ? 0.3696 0.9754 0.4387 -0.0836 -0.0003 0.0108  8   VAL B CB    
1447 C CG1   . VAL B 10  ? 0.3892 0.9958 0.4754 -0.0819 -0.0004 0.0111  8   VAL B CG1   
1448 C CG2   . VAL B 10  ? 0.3718 0.9784 0.4408 -0.0829 0.0005  0.0073  8   VAL B CG2   
1449 N N     . ALA B 11  ? 0.3434 0.9452 0.3833 -0.0863 -0.0008 0.0102  9   ALA B N     
1450 C CA    . ALA B 11  ? 0.3469 0.9488 0.3742 -0.0892 -0.0010 0.0112  9   ALA B CA    
1451 C C     . ALA B 11  ? 0.3470 0.9476 0.3669 -0.0896 -0.0017 0.0139  9   ALA B C     
1452 O O     . ALA B 11  ? 0.3968 0.9989 0.4092 -0.0920 -0.0021 0.0162  9   ALA B O     
1453 C CB    . ALA B 11  ? 0.3753 0.9761 0.4027 -0.0890 -0.0007 0.0089  9   ALA B CB    
1454 N N     . MET B 12  ? 0.3280 0.9273 0.3505 -0.0872 -0.0019 0.0132  10  MET B N     
1455 C CA    . MET B 12  ? 0.3163 0.9157 0.3327 -0.0872 -0.0023 0.0148  10  MET B CA    
1456 C C     . MET B 12  ? 0.3101 0.9103 0.3280 -0.0878 -0.0026 0.0167  10  MET B C     
1457 O O     . MET B 12  ? 0.3329 0.9340 0.3430 -0.0893 -0.0029 0.0187  10  MET B O     
1458 C CB    . MET B 12  ? 0.3537 0.9536 0.3752 -0.0838 -0.0023 0.0129  10  MET B CB    
1459 C CG    . MET B 12  ? 0.3048 0.9066 0.3223 -0.0832 -0.0025 0.0134  10  MET B CG    
1460 S SD    . MET B 12  ? 0.3164 0.9203 0.3208 -0.0852 -0.0026 0.0160  10  MET B SD    
1461 C CE    . MET B 12  ? 0.3180 0.9212 0.3269 -0.0842 -0.0025 0.0154  10  MET B CE    
1462 N N     . MET B 13  ? 0.2944 0.8944 0.3239 -0.0865 -0.0026 0.0163  11  MET B N     
1463 C CA    . MET B 13  ? 0.3159 0.9166 0.3499 -0.0870 -0.0030 0.0188  11  MET B CA    
1464 C C     . MET B 13  ? 0.3599 0.9629 0.3876 -0.0902 -0.0032 0.0227  11  MET B C     
1465 O O     . MET B 13  ? 0.3614 0.9657 0.3888 -0.0912 -0.0038 0.0259  11  MET B O     
1466 C CB    . MET B 13  ? 0.3218 0.9221 0.3735 -0.0849 -0.0032 0.0177  11  MET B CB    
1467 C CG    . MET B 13  ? 0.3305 0.9301 0.3879 -0.0817 -0.0033 0.0132  11  MET B CG    
1468 S SD    . MET B 13  ? 0.3402 0.9406 0.4035 -0.0802 -0.0041 0.0118  11  MET B SD    
1469 C CE    . MET B 13  ? 0.3362 0.9363 0.4147 -0.0816 -0.0048 0.0156  11  MET B CE    
1470 N N     . LYS B 14  ? 0.3877 0.9924 0.4118 -0.0916 -0.0029 0.0224  12  LYS B N     
1471 C CA    . LYS B 14  ? 0.3905 0.9991 0.4064 -0.0947 -0.0033 0.0253  12  LYS B CA    
1472 C C     . LYS B 14  ? 0.3915 1.0002 0.3942 -0.0967 -0.0037 0.0258  12  LYS B C     
1473 O O     . LYS B 14  ? 0.3934 1.0051 0.3912 -0.0986 -0.0043 0.0292  12  LYS B O     
1474 C CB    . LYS B 14  ? 0.3919 1.0037 0.4076 -0.0957 -0.0027 0.0235  12  LYS B CB    
1475 C CG    . LYS B 14  ? 0.3914 1.0045 0.4212 -0.0939 -0.0021 0.0234  12  LYS B CG    
1476 C CD    . LYS B 14  ? 0.4429 1.0626 0.4727 -0.0953 -0.0016 0.0232  12  LYS B CD    
1477 C CE    . LYS B 14  ? 0.5212 1.1431 0.5391 -0.0975 -0.0015 0.0198  12  LYS B CE    
1478 N NZ    . LYS B 14  ? 0.4533 1.0699 0.4709 -0.0963 -0.0009 0.0150  12  LYS B NZ    
1479 N N     . ARG B 15  ? 0.2853 0.8915 0.2831 -0.0965 -0.0034 0.0231  13  ARG B N     
1480 C CA    . ARG B 15  ? 0.3076 0.9149 0.2941 -0.0991 -0.0037 0.0237  13  ARG B CA    
1481 C C     . ARG B 15  ? 0.3305 0.9354 0.3155 -0.0981 -0.0040 0.0249  13  ARG B C     
1482 O O     . ARG B 15  ? 0.2748 0.8755 0.2577 -0.0995 -0.0042 0.0257  13  ARG B O     
1483 C CB    . ARG B 15  ? 0.3018 0.9079 0.2864 -0.1000 -0.0033 0.0206  13  ARG B CB    
1484 C CG    . ARG B 15  ? 0.3105 0.9170 0.3019 -0.0993 -0.0027 0.0177  13  ARG B CG    
1485 C CD    . ARG B 15  ? 0.3472 0.9526 0.3386 -0.1005 -0.0022 0.0149  13  ARG B CD    
1486 N NE    . ARG B 15  ? 0.4377 1.0454 0.4337 -0.1012 -0.0014 0.0113  13  ARG B NE    
1487 C CZ    . ARG B 15  ? 0.4419 1.0516 0.4364 -0.1040 -0.0010 0.0085  13  ARG B CZ    
1488 N NH1   . ARG B 15  ? 0.4077 1.0172 0.3965 -0.1068 -0.0014 0.0094  13  ARG B NH1   
1489 N NH2   . ARG B 15  ? 0.4121 1.0249 0.4123 -0.1041 0.0000  0.0042  13  ARG B NH2   
1490 N N     . ASN B 16  ? 0.3136 0.9185 0.3039 -0.0953 -0.0037 0.0243  14  ASN B N     
1491 C CA    . ASN B 16  ? 0.2927 0.8985 0.2804 -0.0944 -0.0038 0.0246  14  ASN B CA    
1492 C C     . ASN B 16  ? 0.2780 0.8840 0.2753 -0.0921 -0.0038 0.0245  14  ASN B C     
1493 O O     . ASN B 16  ? 0.2931 0.9011 0.2887 -0.0914 -0.0037 0.0243  14  ASN B O     
1494 C CB    . ASN B 16  ? 0.2654 0.8707 0.2522 -0.0928 -0.0034 0.0225  14  ASN B CB    
1495 C CG    . ASN B 16  ? 0.2890 0.8896 0.2740 -0.0946 -0.0035 0.0228  14  ASN B CG    
1496 O OD1   . ASN B 16  ? 0.2837 0.8850 0.2691 -0.0954 -0.0034 0.0217  14  ASN B OD1   
1497 N ND2   . ASN B 16  ? 0.2937 0.8913 0.2770 -0.0955 -0.0038 0.0241  14  ASN B ND2   
1498 N N     . SER B 17  ? 0.2613 0.8660 0.2700 -0.0909 -0.0039 0.0244  15  SER B N     
1499 C CA    . SER B 17  ? 0.2773 0.8819 0.2993 -0.0888 -0.0041 0.0238  15  SER B CA    
1500 C C     . SER B 17  ? 0.2909 0.8971 0.3156 -0.0905 -0.0048 0.0283  15  SER B C     
1501 O O     . SER B 17  ? 0.3363 0.9442 0.3515 -0.0933 -0.0050 0.0317  15  SER B O     
1502 C CB    . SER B 17  ? 0.3105 0.9131 0.3473 -0.0865 -0.0041 0.0214  15  SER B CB    
1503 O OG    . SER B 17  ? 0.2942 0.8969 0.3373 -0.0879 -0.0043 0.0245  15  SER B OG    
1504 N N     . SER B 18  ? 0.2706 0.8768 0.3092 -0.0889 -0.0052 0.0281  16  SER B N     
1505 C CA    . SER B 18  ? 0.2993 0.9073 0.3447 -0.0902 -0.0060 0.0331  16  SER B CA    
1506 C C     . SER B 18  ? 0.2890 0.8960 0.3564 -0.0878 -0.0068 0.0316  16  SER B C     
1507 O O     . SER B 18  ? 0.3086 0.9146 0.3832 -0.0852 -0.0068 0.0258  16  SER B O     
1508 C CB    . SER B 18  ? 0.3335 0.9444 0.3666 -0.0918 -0.0061 0.0352  16  SER B CB    
1509 O OG    . SER B 18  ? 0.3270 0.9395 0.3727 -0.0913 -0.0070 0.0376  16  SER B OG    
1510 N N     . THR B 19  ? 0.2938 0.9021 0.3729 -0.0888 -0.0077 0.0368  17  THR B N     
1511 C CA    . THR B 19  ? 0.3019 0.9096 0.4052 -0.0870 -0.0090 0.0359  17  THR B CA    
1512 C C     . THR B 19  ? 0.3242 0.9344 0.4279 -0.0870 -0.0097 0.0370  17  THR B C     
1513 O O     . THR B 19  ? 0.3701 0.9830 0.4637 -0.0893 -0.0096 0.0430  17  THR B O     
1514 C CB    . THR B 19  ? 0.3496 0.9577 0.4700 -0.0882 -0.0097 0.0418  17  THR B CB    
1515 O OG1   . THR B 19  ? 0.3770 0.9841 0.4953 -0.0885 -0.0089 0.0413  17  THR B OG1   
1516 C CG2   . THR B 19  ? 0.3909 0.9978 0.5409 -0.0863 -0.0115 0.0399  17  THR B CG2   
1517 N N     . VAL B 20  ? 0.3534 0.9635 0.4699 -0.0843 -0.0105 0.0311  18  VAL B N     
1518 C CA    . VAL B 20  ? 0.3475 0.9608 0.4643 -0.0838 -0.0110 0.0307  18  VAL B CA    
1519 C C     . VAL B 20  ? 0.3595 0.9727 0.5064 -0.0817 -0.0133 0.0285  18  VAL B C     
1520 O O     . VAL B 20  ? 0.3755 0.9868 0.5397 -0.0795 -0.0145 0.0228  18  VAL B O     
1521 C CB    . VAL B 20  ? 0.3228 0.9385 0.4236 -0.0824 -0.0097 0.0243  18  VAL B CB    
1522 C CG1   . VAL B 20  ? 0.3090 0.9288 0.4161 -0.0810 -0.0105 0.0220  18  VAL B CG1   
1523 C CG2   . VAL B 20  ? 0.3277 0.9439 0.4016 -0.0850 -0.0080 0.0274  18  VAL B CG2   
1524 N N     . LYS B 21  ? 0.3955 1.0111 0.5500 -0.0824 -0.0144 0.0329  19  LYS B N     
1525 C CA    . LYS B 21  ? 0.3950 1.0110 0.5800 -0.0803 -0.0172 0.0304  19  LYS B CA    
1526 C C     . LYS B 21  ? 0.3955 1.0157 0.5773 -0.0784 -0.0175 0.0254  19  LYS B C     
1527 O O     . LYS B 21  ? 0.4017 1.0250 0.5632 -0.0800 -0.0159 0.0289  19  LYS B O     
1528 C CB    . LYS B 21  ? 0.3964 1.0127 0.5982 -0.0823 -0.0186 0.0397  19  LYS B CB    
1529 C CG    . LYS B 21  ? 0.4113 1.0243 0.6378 -0.0824 -0.0200 0.0408  19  LYS B CG    
1530 C CD    . LYS B 21  ? 0.4824 1.0970 0.7318 -0.0839 -0.0218 0.0494  19  LYS B CD    
1531 C CE    . LYS B 21  ? 0.4986 1.1107 0.7870 -0.0824 -0.0249 0.0454  19  LYS B CE    
1532 N NZ    . LYS B 21  ? 0.5230 1.1372 0.8343 -0.0844 -0.0262 0.0547  19  LYS B NZ    
1533 N N     . THR B 22  ? 0.4083 1.0295 0.6093 -0.0749 -0.0196 0.0165  20  THR B N     
1534 C CA    . THR B 22  ? 0.3891 1.0156 0.5920 -0.0725 -0.0204 0.0108  20  THR B CA    
1535 C C     . THR B 22  ? 0.3881 1.0145 0.6285 -0.0699 -0.0249 0.0071  20  THR B C     
1536 O O     . THR B 22  ? 0.4290 1.0511 0.6928 -0.0701 -0.0272 0.0083  20  THR B O     
1537 C CB    . THR B 22  ? 0.4573 1.0874 0.6433 -0.0702 -0.0187 0.0019  20  THR B CB    
1538 O OG1   . THR B 22  ? 0.4793 1.1083 0.6846 -0.0672 -0.0210 -0.0061 20  THR B OG1   
1539 C CG2   . THR B 22  ? 0.4348 1.0636 0.5892 -0.0728 -0.0150 0.0057  20  THR B CG2   
1540 N N     . GLU B 23  ? 0.3889 1.0205 0.6370 -0.0673 -0.0265 0.0017  21  GLU B N     
1541 C CA    . GLU B 23  ? 0.4241 1.0558 0.7107 -0.0649 -0.0316 -0.0015 21  GLU B CA    
1542 C C     . GLU B 23  ? 0.4340 1.0633 0.7428 -0.0624 -0.0349 -0.0095 21  GLU B C     
1543 O O     . GLU B 23  ? 0.4278 1.0552 0.7732 -0.0611 -0.0401 -0.0108 21  GLU B O     
1544 C CB    . GLU B 23  ? 0.4624 1.1013 0.7526 -0.0621 -0.0329 -0.0069 21  GLU B CB    
1545 C CG    . GLU B 23  ? 0.4806 1.1196 0.8125 -0.0596 -0.0390 -0.0091 21  GLU B CG    
1546 C CD    . GLU B 23  ? 0.5028 1.1419 0.8435 -0.0618 -0.0396 0.0007  21  GLU B CD    
1547 O OE1   . GLU B 23  ? 0.4935 1.1327 0.8065 -0.0653 -0.0354 0.0093  21  GLU B OE1   
1548 O OE2   . GLU B 23  ? 0.5205 1.1599 0.8967 -0.0600 -0.0448 -0.0001 21  GLU B OE2   
1549 N N     . TYR B 24  ? 0.4437 1.0733 0.7325 -0.0617 -0.0325 -0.0144 22  TYR B N     
1550 C CA    . TYR B 24  ? 0.4438 1.0727 0.7495 -0.0591 -0.0355 -0.0228 22  TYR B CA    
1551 C C     . TYR B 24  ? 0.4420 1.0646 0.7474 -0.0614 -0.0345 -0.0186 22  TYR B C     
1552 O O     . TYR B 24  ? 0.4422 1.0646 0.7591 -0.0594 -0.0368 -0.0253 22  TYR B O     
1553 C CB    . TYR B 24  ? 0.4459 1.0824 0.7321 -0.0555 -0.0340 -0.0334 22  TYR B CB    
1554 C CG    . TYR B 24  ? 0.5047 1.1489 0.7971 -0.0525 -0.0357 -0.0391 22  TYR B CG    
1555 C CD1   . TYR B 24  ? 0.5152 1.1617 0.8410 -0.0489 -0.0419 -0.0463 22  TYR B CD1   
1556 C CD2   . TYR B 24  ? 0.5157 1.1650 0.7820 -0.0533 -0.0317 -0.0370 22  TYR B CD2   
1557 C CE1   . TYR B 24  ? 0.4562 1.1104 0.7883 -0.0459 -0.0436 -0.0518 22  TYR B CE1   
1558 C CE2   . TYR B 24  ? 0.5196 1.1768 0.7920 -0.0504 -0.0331 -0.0423 22  TYR B CE2   
1559 C CZ    . TYR B 24  ? 0.5262 1.1859 0.8313 -0.0465 -0.0390 -0.0500 22  TYR B CZ    
1560 O OH    . TYR B 24  ? 0.5530 1.2213 0.8646 -0.0433 -0.0406 -0.0557 22  TYR B OH    
1561 N N     . GLY B 25  ? 0.4490 1.0676 0.7404 -0.0655 -0.0313 -0.0081 23  GLY B N     
1562 C CA    . GLY B 25  ? 0.3792 0.9927 0.6757 -0.0675 -0.0308 -0.0040 23  GLY B CA    
1563 C C     . GLY B 25  ? 0.3591 0.9712 0.6217 -0.0708 -0.0258 0.0035  23  GLY B C     
1564 O O     . GLY B 25  ? 0.3584 0.9726 0.5970 -0.0721 -0.0231 0.0075  23  GLY B O     
1565 N N     . GLU B 26  ? 0.3510 0.9599 0.6129 -0.0719 -0.0249 0.0049  24  GLU B N     
1566 C CA    . GLU B 26  ? 0.3650 0.9725 0.5996 -0.0748 -0.0211 0.0119  24  GLU B CA    
1567 C C     . GLU B 26  ? 0.3527 0.9603 0.5689 -0.0734 -0.0194 0.0057  24  GLU B C     
1568 O O     . GLU B 26  ? 0.4262 1.0333 0.6580 -0.0712 -0.0212 -0.0006 24  GLU B O     
1569 C CB    . GLU B 26  ? 0.3905 0.9954 0.6404 -0.0773 -0.0213 0.0194  24  GLU B CB    
1570 C CG    . GLU B 26  ? 0.4485 1.0535 0.6732 -0.0807 -0.0181 0.0287  24  GLU B CG    
1571 C CD    . GLU B 26  ? 0.5501 1.1544 0.7902 -0.0827 -0.0181 0.0350  24  GLU B CD    
1572 O OE1   . GLU B 26  ? 0.5752 1.1796 0.8451 -0.0829 -0.0203 0.0371  24  GLU B OE1   
1573 O OE2   . GLU B 26  ? 0.5426 1.1467 0.7665 -0.0840 -0.0159 0.0372  24  GLU B OE2   
1574 N N     . PHE B 27  ? 0.3450 0.9537 0.5297 -0.0746 -0.0162 0.0078  25  PHE B N     
1575 C CA    . PHE B 27  ? 0.3444 0.9542 0.5111 -0.0731 -0.0146 0.0024  25  PHE B CA    
1576 C C     . PHE B 27  ? 0.3322 0.9403 0.4741 -0.0759 -0.0118 0.0082  25  PHE B C     
1577 O O     . PHE B 27  ? 0.3868 0.9950 0.5151 -0.0785 -0.0107 0.0147  25  PHE B O     
1578 C CB    . PHE B 27  ? 0.3650 0.9801 0.5192 -0.0709 -0.0139 -0.0036 25  PHE B CB    
1579 C CG    . PHE B 27  ? 0.3813 0.9996 0.5573 -0.0682 -0.0167 -0.0093 25  PHE B CG    
1580 C CD1   . PHE B 27  ? 0.4249 1.0470 0.6117 -0.0643 -0.0186 -0.0192 25  PHE B CD1   
1581 C CD2   . PHE B 27  ? 0.4314 1.0497 0.6172 -0.0693 -0.0178 -0.0053 25  PHE B CD2   
1582 C CE1   . PHE B 27  ? 0.4373 1.0630 0.6452 -0.0615 -0.0219 -0.0255 25  PHE B CE1   
1583 C CE2   . PHE B 27  ? 0.4387 1.0602 0.6469 -0.0665 -0.0210 -0.0111 25  PHE B CE2   
1584 C CZ    . PHE B 27  ? 0.4024 1.0274 0.6219 -0.0626 -0.0231 -0.0214 25  PHE B CZ    
1585 N N     . THR B 28  ? 0.3469 0.9538 0.4841 -0.0752 -0.0111 0.0057  26  THR B N     
1586 C CA    . THR B 28  ? 0.3431 0.9495 0.4553 -0.0770 -0.0089 0.0087  26  THR B CA    
1587 C C     . THR B 28  ? 0.3451 0.9551 0.4379 -0.0767 -0.0077 0.0071  26  THR B C     
1588 O O     . THR B 28  ? 0.4066 1.0205 0.5028 -0.0740 -0.0080 0.0011  26  THR B O     
1589 C CB    . THR B 28  ? 0.3831 0.9884 0.4957 -0.0756 -0.0086 0.0053  26  THR B CB    
1590 O OG1   . THR B 28  ? 0.3909 0.9939 0.5242 -0.0758 -0.0098 0.0064  26  THR B OG1   
1591 C CG2   . THR B 28  ? 0.3453 0.9498 0.4353 -0.0775 -0.0068 0.0086  26  THR B CG2   
1592 N N     . MET B 29  ? 0.3155 0.9252 0.3891 -0.0796 -0.0064 0.0125  27  MET B N     
1593 C CA    . MET B 29  ? 0.2786 0.8920 0.3336 -0.0802 -0.0053 0.0122  27  MET B CA    
1594 C C     . MET B 29  ? 0.2571 0.8690 0.2949 -0.0821 -0.0044 0.0146  27  MET B C     
1595 O O     . MET B 29  ? 0.3191 0.9279 0.3558 -0.0840 -0.0045 0.0182  27  MET B O     
1596 C CB    . MET B 29  ? 0.2898 0.9049 0.3414 -0.0821 -0.0055 0.0163  27  MET B CB    
1597 C CG    . MET B 29  ? 0.3186 0.9393 0.3608 -0.0814 -0.0049 0.0140  27  MET B CG    
1598 S SD    . MET B 29  ? 0.2270 0.8505 0.2595 -0.0845 -0.0049 0.0197  27  MET B SD    
1599 C CE    . MET B 29  ? 0.3402 0.9614 0.3529 -0.0885 -0.0045 0.0249  27  MET B CE    
1600 N N     . LEU B 30  ? 0.2493 0.8643 0.2754 -0.0815 -0.0035 0.0126  28  LEU B N     
1601 C CA    . LEU B 30  ? 0.2527 0.8666 0.2652 -0.0834 -0.0030 0.0150  28  LEU B CA    
1602 C C     . LEU B 30  ? 0.2635 0.8811 0.2611 -0.0855 -0.0027 0.0174  28  LEU B C     
1603 O O     . LEU B 30  ? 0.2678 0.8907 0.2634 -0.0841 -0.0023 0.0154  28  LEU B O     
1604 C CB    . LEU B 30  ? 0.2469 0.8612 0.2616 -0.0810 -0.0027 0.0116  28  LEU B CB    
1605 C CG    . LEU B 30  ? 0.2616 0.8756 0.2642 -0.0828 -0.0024 0.0141  28  LEU B CG    
1606 C CD1   . LEU B 30  ? 0.2867 0.8962 0.2948 -0.0827 -0.0026 0.0140  28  LEU B CD1   
1607 C CD2   . LEU B 30  ? 0.3132 0.9329 0.3102 -0.0810 -0.0020 0.0128  28  LEU B CD2   
1608 N N     . GLY B 31  ? 0.2523 0.8680 0.2404 -0.0889 -0.0030 0.0213  29  GLY B N     
1609 C CA    . GLY B 31  ? 0.2603 0.8703 0.2457 -0.0902 -0.0033 0.0231  29  GLY B CA    
1610 C C     . GLY B 31  ? 0.2683 0.8739 0.2524 -0.0904 -0.0033 0.0233  29  GLY B C     
1611 O O     . GLY B 31  ? 0.2849 0.8880 0.2691 -0.0912 -0.0034 0.0235  29  GLY B O     
1612 N N     . ILE B 32  ? 0.2741 0.8804 0.2572 -0.0899 -0.0033 0.0238  30  ILE B N     
1613 C CA    . ILE B 32  ? 0.2883 0.8938 0.2709 -0.0898 -0.0035 0.0249  30  ILE B CA    
1614 C C     . ILE B 32  ? 0.2816 0.8828 0.2623 -0.0935 -0.0042 0.0281  30  ILE B C     
1615 O O     . ILE B 32  ? 0.2846 0.8848 0.2655 -0.0948 -0.0045 0.0291  30  ILE B O     
1616 C CB    . ILE B 32  ? 0.3182 0.9297 0.3010 -0.0871 -0.0032 0.0241  30  ILE B CB    
1617 C CG1   . ILE B 32  ? 0.2898 0.9083 0.2748 -0.0836 -0.0024 0.0195  30  ILE B CG1   
1618 C CG2   . ILE B 32  ? 0.3424 0.9552 0.3251 -0.0869 -0.0035 0.0265  30  ILE B CG2   
1619 C CD1   . ILE B 32  ? 0.2455 0.8677 0.2311 -0.0833 -0.0021 0.0175  30  ILE B CD1   
1620 N N     . TYR B 33  ? 0.2588 0.8593 0.2380 -0.0954 -0.0045 0.0294  31  TYR B N     
1621 C CA    . TYR B 33  ? 0.2914 0.8898 0.2690 -0.0995 -0.0052 0.0317  31  TYR B CA    
1622 C C     . TYR B 33  ? 0.3243 0.9230 0.3007 -0.1010 -0.0053 0.0322  31  TYR B C     
1623 O O     . TYR B 33  ? 0.3245 0.9259 0.3015 -0.0988 -0.0050 0.0314  31  TYR B O     
1624 C CB    . TYR B 33  ? 0.3489 0.9505 0.3263 -0.1010 -0.0057 0.0346  31  TYR B CB    
1625 C CG    . TYR B 33  ? 0.3876 0.9940 0.3645 -0.1004 -0.0059 0.0363  31  TYR B CG    
1626 C CD1   . TYR B 33  ? 0.3613 0.9708 0.3389 -0.0965 -0.0053 0.0341  31  TYR B CD1   
1627 C CD2   . TYR B 33  ? 0.4269 1.0369 0.4029 -0.1041 -0.0068 0.0397  31  TYR B CD2   
1628 C CE1   . TYR B 33  ? 0.3951 1.0106 0.3722 -0.0959 -0.0054 0.0351  31  TYR B CE1   
1629 C CE2   . TYR B 33  ? 0.4694 1.0854 0.4451 -0.1037 -0.0070 0.0415  31  TYR B CE2   
1630 C CZ    . TYR B 33  ? 0.4953 1.1138 0.4714 -0.0994 -0.0063 0.0390  31  TYR B CZ    
1631 O OH    . TYR B 33  ? 0.5619 1.1881 0.5376 -0.0991 -0.0064 0.0404  31  TYR B OH    
1632 N N     . ASP B 34  ? 0.3534 0.9510 0.3284 -0.1048 -0.0058 0.0333  32  ASP B N     
1633 C CA    . ASP B 34  ? 0.3137 0.9123 0.2876 -0.1068 -0.0060 0.0339  32  ASP B CA    
1634 C C     . ASP B 34  ? 0.3082 0.9074 0.2830 -0.1042 -0.0056 0.0331  32  ASP B C     
1635 O O     . ASP B 34  ? 0.3745 0.9718 0.3501 -0.1030 -0.0054 0.0323  32  ASP B O     
1636 C CB    . ASP B 34  ? 0.3182 0.9214 0.2912 -0.1087 -0.0064 0.0360  32  ASP B CB    
1637 C CG    . ASP B 34  ? 0.3747 0.9800 0.3471 -0.1130 -0.0070 0.0377  32  ASP B CG    
1638 O OD1   . ASP B 34  ? 0.4361 1.0461 0.4076 -0.1164 -0.0075 0.0394  32  ASP B OD1   
1639 O OD2   . ASP B 34  ? 0.3623 0.9659 0.3353 -0.1134 -0.0070 0.0373  32  ASP B OD2   
1640 N N     . ARG B 35  ? 0.2790 0.8824 0.2538 -0.1034 -0.0056 0.0337  33  ARG B N     
1641 C CA    . ARG B 35  ? 0.3103 0.9166 0.2866 -0.1013 -0.0053 0.0332  33  ARG B CA    
1642 C C     . ARG B 35  ? 0.3403 0.9510 0.3183 -0.0977 -0.0047 0.0310  33  ARG B C     
1643 O O     . ARG B 35  ? 0.3479 0.9648 0.3274 -0.0962 -0.0045 0.0302  33  ARG B O     
1644 C CB    . ARG B 35  ? 0.3709 0.9814 0.3466 -0.1029 -0.0056 0.0347  33  ARG B CB    
1645 C CG    . ARG B 35  ? 0.3720 0.9803 0.3462 -0.1061 -0.0061 0.0363  33  ARG B CG    
1646 C CD    . ARG B 35  ? 0.4115 1.0208 0.3839 -0.1094 -0.0064 0.0369  33  ARG B CD    
1647 N NE    . ARG B 35  ? 0.4485 1.0570 0.4195 -0.1128 -0.0067 0.0373  33  ARG B NE    
1648 C CZ    . ARG B 35  ? 0.4529 1.0628 0.4224 -0.1166 -0.0069 0.0371  33  ARG B CZ    
1649 N NH1   . ARG B 35  ? 0.4205 1.0324 0.3898 -0.1177 -0.0071 0.0377  33  ARG B NH1   
1650 N NH2   . ARG B 35  ? 0.4481 1.0590 0.4163 -0.1197 -0.0070 0.0365  33  ARG B NH2   
1651 N N     . TRP B 36  ? 0.3179 0.9272 0.2962 -0.0962 -0.0045 0.0297  34  TRP B N     
1652 C CA    . TRP B 36  ? 0.3264 0.9414 0.3062 -0.0927 -0.0038 0.0270  34  TRP B CA    
1653 C C     . TRP B 36  ? 0.2903 0.9051 0.2720 -0.0907 -0.0034 0.0248  34  TRP B C     
1654 O O     . TRP B 36  ? 0.2570 0.8669 0.2384 -0.0913 -0.0036 0.0254  34  TRP B O     
1655 C CB    . TRP B 36  ? 0.3941 1.0102 0.3728 -0.0925 -0.0039 0.0278  34  TRP B CB    
1656 C CG    . TRP B 36  ? 0.4324 1.0545 0.4103 -0.0929 -0.0041 0.0287  34  TRP B CG    
1657 C CD1   . TRP B 36  ? 0.4253 1.0476 0.4015 -0.0960 -0.0048 0.0321  34  TRP B CD1   
1658 C CD2   . TRP B 36  ? 0.4107 1.0418 0.3897 -0.0903 -0.0034 0.0258  34  TRP B CD2   
1659 N NE1   . TRP B 36  ? 0.5033 1.1336 0.4794 -0.0954 -0.0047 0.0320  34  TRP B NE1   
1660 C CE2   . TRP B 36  ? 0.4566 1.0923 0.4342 -0.0918 -0.0038 0.0279  34  TRP B CE2   
1661 C CE3   . TRP B 36  ? 0.3797 1.0171 0.3609 -0.0871 -0.0026 0.0214  34  TRP B CE3   
1662 C CZ2   . TRP B 36  ? 0.5031 1.1492 0.4814 -0.0899 -0.0033 0.0255  34  TRP B CZ2   
1663 C CZ3   . TRP B 36  ? 0.3846 1.0327 0.3666 -0.0852 -0.0021 0.0185  34  TRP B CZ3   
1664 C CH2   . TRP B 36  ? 0.4213 1.0733 0.4018 -0.0864 -0.0024 0.0205  34  TRP B CH2   
1665 N N     . ALA B 37  ? 0.2710 0.8934 0.2550 -0.0884 -0.0029 0.0218  35  ALA B N     
1666 C CA    . ALA B 37  ? 0.2782 0.9036 0.2646 -0.0867 -0.0025 0.0192  35  ALA B CA    
1667 C C     . ALA B 37  ? 0.3210 0.9576 0.3096 -0.0833 -0.0018 0.0140  35  ALA B C     
1668 O O     . ALA B 37  ? 0.3398 0.9823 0.3283 -0.0823 -0.0015 0.0124  35  ALA B O     
1669 C CB    . ALA B 37  ? 0.2761 0.9023 0.2639 -0.0883 -0.0029 0.0211  35  ALA B CB    
1670 N N     . VAL B 38  ? 0.2577 0.8952 0.2525 -0.0810 -0.0016 0.0105  36  VAL B N     
1671 C CA    . VAL B 38  ? 0.3104 0.9538 0.3136 -0.0768 -0.0013 0.0038  36  VAL B CA    
1672 C C     . VAL B 38  ? 0.3086 0.9474 0.3310 -0.0747 -0.0023 0.0000  36  VAL B C     
1673 O O     . VAL B 38  ? 0.3212 0.9526 0.3490 -0.0760 -0.0029 0.0027  36  VAL B O     
1674 C CB    . VAL B 38  ? 0.3094 0.9559 0.3074 -0.0751 -0.0008 0.0025  36  VAL B CB    
1675 C CG1   . VAL B 38  ? 0.2970 0.9352 0.2994 -0.0756 -0.0012 0.0037  36  VAL B CG1   
1676 C CG2   . VAL B 38  ? 0.2724 0.9275 0.2779 -0.0705 -0.0005 -0.0050 36  VAL B CG2   
1677 N N     . LEU B 39  ? 0.3465 0.9907 0.3805 -0.0714 -0.0028 -0.0061 37  LEU B N     
1678 C CA    . LEU B 39  ? 0.3434 0.9841 0.3996 -0.0694 -0.0046 -0.0102 37  LEU B CA    
1679 C C     . LEU B 39  ? 0.3758 1.0237 0.4423 -0.0646 -0.0054 -0.0196 37  LEU B C     
1680 O O     . LEU B 39  ? 0.3640 1.0214 0.4202 -0.0629 -0.0043 -0.0228 37  LEU B O     
1681 C CB    . LEU B 39  ? 0.3299 0.9700 0.3950 -0.0704 -0.0056 -0.0082 37  LEU B CB    
1682 C CG    . LEU B 39  ? 0.2972 0.9294 0.3730 -0.0728 -0.0068 -0.0024 37  LEU B CG    
1683 C CD1   . LEU B 39  ? 0.2464 0.8790 0.3152 -0.0756 -0.0065 0.0036  37  LEU B CD1   
1684 C CD2   . LEU B 39  ? 0.3875 1.0189 0.4900 -0.0701 -0.0093 -0.0073 37  LEU B CD2   
1685 N N     . PRO B 40  ? 0.3674 1.0122 0.4544 -0.0624 -0.0076 -0.0243 38  PRO B N     
1686 C CA    . PRO B 40  ? 0.3629 1.0152 0.4634 -0.0576 -0.0094 -0.0346 38  PRO B CA    
1687 C C     . PRO B 40  ? 0.4097 1.0684 0.5145 -0.0562 -0.0099 -0.0381 38  PRO B C     
1688 O O     . PRO B 40  ? 0.4592 1.1131 0.5758 -0.0577 -0.0112 -0.0351 38  PRO B O     
1689 C CB    . PRO B 40  ? 0.3800 1.0256 0.5061 -0.0567 -0.0126 -0.0372 38  PRO B CB    
1690 C CG    . PRO B 40  ? 0.3764 1.0125 0.4986 -0.0606 -0.0117 -0.0284 38  PRO B CG    
1691 C CD    . PRO B 40  ? 0.3781 1.0135 0.4751 -0.0641 -0.0086 -0.0207 38  PRO B CD    
1692 N N     . ARG B 41  ? 0.4527 1.1233 0.5497 -0.0529 -0.0091 -0.0447 39  ARG B N     
1693 C CA    . ARG B 41  ? 0.4552 1.1339 0.5550 -0.0511 -0.0094 -0.0488 39  ARG B CA    
1694 C C     . ARG B 41  ? 0.5147 1.1897 0.6427 -0.0495 -0.0133 -0.0531 39  ARG B C     
1695 O O     . ARG B 41  ? 0.5674 1.2451 0.7000 -0.0495 -0.0137 -0.0531 39  ARG B O     
1696 C CB    . ARG B 41  ? 0.4595 1.1532 0.5517 -0.0465 -0.0087 -0.0576 39  ARG B CB    
1697 C CG    . ARG B 41  ? 0.4871 1.1928 0.5665 -0.0459 -0.0067 -0.0584 39  ARG B CG    
1698 C CD    . ARG B 41  ? 0.5008 1.2226 0.5821 -0.0397 -0.0073 -0.0705 39  ARG B CD    
1699 N NE    . ARG B 41  ? 0.5873 1.3070 0.6949 -0.0357 -0.0116 -0.0806 39  ARG B NE    
1700 C CZ    . ARG B 41  ? 0.6385 1.3636 0.7636 -0.0320 -0.0145 -0.0896 39  ARG B CZ    
1701 N NH1   . ARG B 41  ? 0.6468 1.3825 0.7645 -0.0309 -0.0131 -0.0916 39  ARG B NH1   
1702 N NH2   . ARG B 41  ? 0.6655 1.3853 0.8175 -0.0296 -0.0194 -0.0965 39  ARG B NH2   
1703 N N     . HIS B 42  ? 0.5256 1.1941 0.6738 -0.0485 -0.0163 -0.0558 40  HIS B N     
1704 C CA    . HIS B 42  ? 0.5772 1.2427 0.7570 -0.0467 -0.0211 -0.0604 40  HIS B CA    
1705 C C     . HIS B 42  ? 0.5722 1.2297 0.7619 -0.0504 -0.0218 -0.0515 40  HIS B C     
1706 O O     . HIS B 42  ? 0.5632 1.2213 0.7761 -0.0488 -0.0254 -0.0545 40  HIS B O     
1707 C CB    . HIS B 42  ? 0.5816 1.2417 0.7792 -0.0458 -0.0242 -0.0632 40  HIS B CB    
1708 C CG    . HIS B 42  ? 0.6389 1.2980 0.8711 -0.0433 -0.0302 -0.0697 40  HIS B CG    
1709 N ND1   . HIS B 42  ? 0.6330 1.2858 0.8868 -0.0453 -0.0328 -0.0644 40  HIS B ND1   
1710 C CD2   . HIS B 42  ? 0.6396 1.3042 0.8894 -0.0387 -0.0345 -0.0811 40  HIS B CD2   
1711 C CE1   . HIS B 42  ? 0.6812 1.3348 0.9660 -0.0425 -0.0387 -0.0714 40  HIS B CE1   
1712 N NE2   . HIS B 42  ? 0.6634 1.3241 0.9459 -0.0385 -0.0400 -0.0820 40  HIS B NE2   
1713 N N     . ALA B 43  ? 0.6080 1.2588 0.7812 -0.0550 -0.0187 -0.0406 41  ALA B N     
1714 C CA    . ALA B 43  ? 0.6038 1.2479 0.7849 -0.0585 -0.0192 -0.0316 41  ALA B CA    
1715 C C     . ALA B 43  ? 0.6282 1.2780 0.8086 -0.0580 -0.0192 -0.0317 41  ALA B C     
1716 O O     . ALA B 43  ? 0.6051 1.2524 0.8058 -0.0584 -0.0218 -0.0290 41  ALA B O     
1717 C CB    . ALA B 43  ? 0.5472 1.1855 0.7056 -0.0630 -0.0159 -0.0214 41  ALA B CB    
1718 N N     . LYS B 44  ? 0.8271 1.4852 0.9845 -0.0572 -0.0162 -0.0344 42  LYS B N     
1719 C CA    . LYS B 44  ? 0.8295 1.4962 0.9750 -0.0567 -0.0146 -0.0353 42  LYS B CA    
1720 C C     . LYS B 44  ? 0.8285 1.4905 0.9740 -0.0604 -0.0145 -0.0257 42  LYS B C     
1721 O O     . LYS B 44  ? 0.8281 1.4882 0.9974 -0.0596 -0.0175 -0.0255 42  LYS B O     
1722 C CB    . LYS B 44  ? 0.8325 1.5088 0.9935 -0.0515 -0.0171 -0.0467 42  LYS B CB    
1723 C CG    . LYS B 44  ? 0.8334 1.5116 1.0009 -0.0482 -0.0185 -0.0550 42  LYS B CG    
1724 C CD    . LYS B 44  ? 0.8644 1.5553 1.0402 -0.0426 -0.0203 -0.0674 42  LYS B CD    
1725 C CE    . LYS B 44  ? 0.8808 1.5832 1.0254 -0.0432 -0.0154 -0.0660 42  LYS B CE    
1726 N NZ    . LYS B 44  ? 0.8499 1.5628 0.9838 -0.0394 -0.0143 -0.0745 42  LYS B NZ    
1727 N N     . PRO B 45  ? 0.5970 1.2561 0.7189 -0.0645 -0.0116 -0.0173 43  PRO B N     
1728 C CA    . PRO B 45  ? 0.5293 1.1841 0.6490 -0.0683 -0.0115 -0.0076 43  PRO B CA    
1729 C C     . PRO B 45  ? 0.5057 1.1668 0.6327 -0.0675 -0.0124 -0.0080 43  PRO B C     
1730 O O     . PRO B 45  ? 0.5260 1.1962 0.6457 -0.0655 -0.0114 -0.0133 43  PRO B O     
1731 C CB    . PRO B 45  ? 0.4696 1.1236 0.5599 -0.0720 -0.0085 -0.0016 43  PRO B CB    
1732 C CG    . PRO B 45  ? 0.4723 1.1274 0.5534 -0.0705 -0.0073 -0.0065 43  PRO B CG    
1733 C CD    . PRO B 45  ? 0.5416 1.2029 0.6378 -0.0657 -0.0086 -0.0167 43  PRO B CD    
1734 N N     . GLY B 46  ? 0.4599 1.1171 0.6011 -0.0689 -0.0142 -0.0018 44  GLY B N     
1735 C CA    . GLY B 46  ? 0.3814 1.0442 0.5285 -0.0687 -0.0150 -0.0002 44  GLY B CA    
1736 C C     . GLY B 46  ? 0.3007 0.9663 0.4217 -0.0725 -0.0124 0.0068  44  GLY B C     
1737 O O     . GLY B 46  ? 0.2699 0.9346 0.3677 -0.0748 -0.0100 0.0086  44  GLY B O     
1738 N N     . PRO B 47  ? 0.3204 0.9897 0.4464 -0.0733 -0.0133 0.0110  45  PRO B N     
1739 C CA    . PRO B 47  ? 0.3380 1.0105 0.4405 -0.0772 -0.0112 0.0175  45  PRO B CA    
1740 C C     . PRO B 47  ? 0.3358 1.0012 0.4259 -0.0813 -0.0107 0.0261  45  PRO B C     
1741 O O     . PRO B 47  ? 0.3373 1.0040 0.4046 -0.0844 -0.0091 0.0295  45  PRO B O     
1742 C CB    . PRO B 47  ? 0.2753 0.9538 0.3906 -0.0765 -0.0128 0.0194  45  PRO B CB    
1743 C CG    . PRO B 47  ? 0.2885 0.9678 0.4338 -0.0718 -0.0156 0.0124  45  PRO B CG    
1744 C CD    . PRO B 47  ? 0.3188 0.9895 0.4730 -0.0711 -0.0165 0.0108  45  PRO B CD    
1745 N N     . THR B 48  ? 0.3439 1.0027 0.4496 -0.0812 -0.0124 0.0295  46  THR B N     
1746 C CA    . THR B 48  ? 0.3138 0.9667 0.4094 -0.0845 -0.0120 0.0365  46  THR B CA    
1747 C C     . THR B 48  ? 0.2999 0.9460 0.4089 -0.0829 -0.0128 0.0341  46  THR B C     
1748 O O     . THR B 48  ? 0.3039 0.9493 0.4365 -0.0797 -0.0146 0.0290  46  THR B O     
1749 C CB    . THR B 48  ? 0.2853 0.9393 0.3856 -0.0867 -0.0133 0.0458  46  THR B CB    
1750 O OG1   . THR B 48  ? 0.2685 0.9226 0.3979 -0.0843 -0.0159 0.0459  46  THR B OG1   
1751 C CG2   . THR B 48  ? 0.3050 0.9658 0.3891 -0.0889 -0.0125 0.0488  46  THR B CG2   
1752 N N     . ILE B 49  ? 0.3290 0.9705 0.4243 -0.0852 -0.0117 0.0374  47  ILE B N     
1753 C CA    . ILE B 49  ? 0.3532 0.9885 0.4596 -0.0844 -0.0123 0.0363  47  ILE B CA    
1754 C C     . ILE B 49  ? 0.3150 0.9478 0.4155 -0.0876 -0.0123 0.0449  47  ILE B C     
1755 O O     . ILE B 49  ? 0.3268 0.9619 0.4070 -0.0904 -0.0114 0.0494  47  ILE B O     
1756 C CB    . ILE B 49  ? 0.3244 0.9579 0.4196 -0.0831 -0.0107 0.0291  47  ILE B CB    
1757 C CG1   . ILE B 49  ? 0.3002 0.9346 0.3669 -0.0860 -0.0087 0.0314  47  ILE B CG1   
1758 C CG2   . ILE B 49  ? 0.2912 0.9290 0.3950 -0.0794 -0.0110 0.0201  47  ILE B CG2   
1759 C CD1   . ILE B 49  ? 0.2566 0.8871 0.3138 -0.0859 -0.0077 0.0287  47  ILE B CD1   
1760 N N     . LEU B 50  ? 0.3350 0.9642 0.4541 -0.0872 -0.0136 0.0471  48  LEU B N     
1761 C CA    . LEU B 50  ? 0.3534 0.9815 0.4664 -0.0899 -0.0134 0.0547  48  LEU B CA    
1762 C C     . LEU B 50  ? 0.3596 0.9842 0.4566 -0.0904 -0.0118 0.0512  48  LEU B C     
1763 O O     . LEU B 50  ? 0.3595 0.9803 0.4669 -0.0883 -0.0118 0.0457  48  LEU B O     
1764 C CB    . LEU B 50  ? 0.3354 0.9620 0.4754 -0.0895 -0.0152 0.0592  48  LEU B CB    
1765 C CG    . LEU B 50  ? 0.3285 0.9583 0.4908 -0.0889 -0.0174 0.0633  48  LEU B CG    
1766 C CD1   . LEU B 50  ? 0.3447 0.9717 0.5401 -0.0876 -0.0195 0.0638  48  LEU B CD1   
1767 C CD2   . LEU B 50  ? 0.3430 0.9786 0.4942 -0.0917 -0.0175 0.0737  48  LEU B CD2   
1768 N N     . MET B 51  ? 0.3502 0.9765 0.4235 -0.0929 -0.0108 0.0538  49  MET B N     
1769 C CA    . MET B 51  ? 0.3475 0.9707 0.4076 -0.0935 -0.0096 0.0509  49  MET B CA    
1770 C C     . MET B 51  ? 0.3653 0.9894 0.4228 -0.0957 -0.0100 0.0570  49  MET B C     
1771 O O     . MET B 51  ? 0.4082 1.0370 0.4543 -0.0982 -0.0103 0.0621  49  MET B O     
1772 C CB    . MET B 51  ? 0.2961 0.9208 0.3339 -0.0947 -0.0085 0.0479  49  MET B CB    
1773 C CG    . MET B 51  ? 0.3232 0.9444 0.3506 -0.0949 -0.0076 0.0444  49  MET B CG    
1774 S SD    . MET B 51  ? 0.3016 0.9246 0.3047 -0.0975 -0.0069 0.0431  49  MET B SD    
1775 C CE    . MET B 51  ? 0.3651 0.9939 0.3645 -0.0987 -0.0073 0.0456  49  MET B CE    
1776 N N     . ASN B 52  ? 0.3664 0.9872 0.4351 -0.0947 -0.0099 0.0561  50  ASN B N     
1777 C CA    . ASN B 52  ? 0.3467 0.9697 0.4163 -0.0964 -0.0101 0.0618  50  ASN B CA    
1778 C C     . ASN B 52  ? 0.4198 1.0482 0.4978 -0.0978 -0.0114 0.0706  50  ASN B C     
1779 O O     . ASN B 52  ? 0.4468 1.0810 0.5157 -0.1000 -0.0117 0.0766  50  ASN B O     
1780 C CB    . ASN B 52  ? 0.3568 0.9817 0.4041 -0.0985 -0.0095 0.0609  50  ASN B CB    
1781 C CG    . ASN B 52  ? 0.3304 0.9504 0.3738 -0.0972 -0.0084 0.0539  50  ASN B CG    
1782 O OD1   . ASN B 52  ? 0.3406 0.9571 0.3986 -0.0952 -0.0081 0.0515  50  ASN B OD1   
1783 N ND2   . ASN B 52  ? 0.3530 0.9731 0.3782 -0.0984 -0.0078 0.0508  50  ASN B ND2   
1784 N N     . ASP B 53  ? 0.4339 1.0615 0.5297 -0.0963 -0.0122 0.0710  51  ASP B N     
1785 C CA    . ASP B 53  ? 0.4294 1.0615 0.5385 -0.0969 -0.0136 0.0790  51  ASP B CA    
1786 C C     . ASP B 53  ? 0.4263 1.0645 0.5188 -0.0987 -0.0140 0.0830  51  ASP B C     
1787 O O     . ASP B 53  ? 0.4287 1.0717 0.5312 -0.0992 -0.0152 0.0902  51  ASP B O     
1788 C CB    . ASP B 53  ? 0.4920 1.1275 0.6130 -0.0982 -0.0141 0.0872  51  ASP B CB    
1789 C CG    . ASP B 53  ? 0.5674 1.2024 0.7190 -0.0972 -0.0156 0.0912  51  ASP B CG    
1790 O OD1   . ASP B 53  ? 0.5651 1.1982 0.7354 -0.0968 -0.0156 0.0920  51  ASP B OD1   
1791 O OD2   . ASP B 53  ? 0.5997 1.2367 0.7583 -0.0967 -0.0167 0.0931  51  ASP B OD2   
1792 N N     . GLN B 54  ? 0.3932 1.0317 0.4627 -0.0996 -0.0130 0.0785  52  GLN B N     
1793 C CA    . GLN B 54  ? 0.3762 1.0204 0.4320 -0.1012 -0.0133 0.0807  52  GLN B CA    
1794 C C     . GLN B 54  ? 0.3741 1.0158 0.4308 -0.0994 -0.0128 0.0742  52  GLN B C     
1795 O O     . GLN B 54  ? 0.3719 1.0095 0.4205 -0.0986 -0.0116 0.0669  52  GLN B O     
1796 C CB    . GLN B 54  ? 0.4103 1.0578 0.4421 -0.1039 -0.0128 0.0802  52  GLN B CB    
1797 C CG    . GLN B 54  ? 0.4654 1.1161 0.4971 -0.1051 -0.0133 0.0848  52  GLN B CG    
1798 C CD    . GLN B 54  ? 0.5321 1.1832 0.5454 -0.1067 -0.0126 0.0802  52  GLN B CD    
1799 O OE1   . GLN B 54  ? 0.4917 1.1457 0.4889 -0.1086 -0.0125 0.0776  52  GLN B OE1   
1800 N NE2   . GLN B 54  ? 0.5841 1.2325 0.6020 -0.1061 -0.0122 0.0788  52  GLN B NE2   
1801 N N     . GLU B 55  ? 0.3375 0.9827 0.4051 -0.0988 -0.0137 0.0771  53  GLU B N     
1802 C CA    . GLU B 55  ? 0.3212 0.9660 0.3929 -0.0968 -0.0134 0.0710  53  GLU B CA    
1803 C C     . GLU B 55  ? 0.3167 0.9639 0.3651 -0.0983 -0.0121 0.0673  53  GLU B C     
1804 O O     . GLU B 55  ? 0.2688 0.9209 0.3028 -0.1011 -0.0122 0.0715  53  GLU B O     
1805 C CB    . GLU B 55  ? 0.2683 0.9176 0.3572 -0.0959 -0.0150 0.0754  53  GLU B CB    
1806 C CG    . GLU B 55  ? 0.3070 0.9558 0.4080 -0.0929 -0.0152 0.0680  53  GLU B CG    
1807 C CD    . GLU B 55  ? 0.3519 1.0061 0.4687 -0.0921 -0.0169 0.0715  53  GLU B CD    
1808 O OE1   . GLU B 55  ? 0.4166 1.0704 0.5562 -0.0913 -0.0188 0.0763  53  GLU B OE1   
1809 O OE2   . GLU B 55  ? 0.3136 0.9728 0.4223 -0.0920 -0.0164 0.0693  53  GLU B OE2   
1810 N N     . VAL B 56  ? 0.3238 0.9683 0.3697 -0.0965 -0.0110 0.0594  54  VAL B N     
1811 C CA    . VAL B 56  ? 0.3573 1.0039 0.3837 -0.0977 -0.0097 0.0557  54  VAL B CA    
1812 C C     . VAL B 56  ? 0.3445 0.9942 0.3766 -0.0954 -0.0092 0.0504  54  VAL B C     
1813 O O     . VAL B 56  ? 0.3290 0.9771 0.3780 -0.0921 -0.0096 0.0463  54  VAL B O     
1814 C CB    . VAL B 56  ? 0.3336 0.9755 0.3478 -0.0983 -0.0087 0.0519  54  VAL B CB    
1815 C CG1   . VAL B 56  ? 0.3416 0.9861 0.3377 -0.1002 -0.0078 0.0495  54  VAL B CG1   
1816 C CG2   . VAL B 56  ? 0.3879 1.0281 0.3980 -0.1003 -0.0092 0.0563  54  VAL B CG2   
1817 N N     . ALA B 57  ? 0.4548 1.1098 0.4735 -0.0971 -0.0086 0.0502  55  ALA B N     
1818 C CA    . ALA B 57  ? 0.4552 1.1152 0.4757 -0.0953 -0.0080 0.0453  55  ALA B CA    
1819 C C     . ALA B 57  ? 0.4585 1.1172 0.4689 -0.0945 -0.0066 0.0396  55  ALA B C     
1820 O O     . ALA B 57  ? 0.4596 1.1154 0.4560 -0.0969 -0.0062 0.0405  55  ALA B O     
1821 C CB    . ALA B 57  ? 0.4587 1.1262 0.4701 -0.0978 -0.0080 0.0483  55  ALA B CB    
1822 N N     . VAL B 58  ? 0.4049 1.0665 0.4237 -0.0911 -0.0061 0.0334  56  VAL B N     
1823 C CA    . VAL B 58  ? 0.3942 1.0566 0.4045 -0.0900 -0.0049 0.0283  56  VAL B CA    
1824 C C     . VAL B 58  ? 0.4034 1.0753 0.4062 -0.0901 -0.0042 0.0263  56  VAL B C     
1825 O O     . VAL B 58  ? 0.3965 1.0746 0.4100 -0.0876 -0.0044 0.0232  56  VAL B O     
1826 C CB    . VAL B 58  ? 0.3936 1.0533 0.4190 -0.0858 -0.0050 0.0223  56  VAL B CB    
1827 C CG1   . VAL B 58  ? 0.3493 1.0113 0.3963 -0.0829 -0.0063 0.0199  56  VAL B CG1   
1828 C CG2   . VAL B 58  ? 0.4001 1.0641 0.4180 -0.0840 -0.0038 0.0165  56  VAL B CG2   
1829 N N     . LEU B 59  ? 0.3990 1.0708 0.3871 -0.0927 -0.0037 0.0278  57  LEU B N     
1830 C CA    . LEU B 59  ? 0.3963 1.0717 0.3827 -0.0929 -0.0035 0.0269  57  LEU B CA    
1831 C C     . LEU B 59  ? 0.4364 1.1174 0.4230 -0.0897 -0.0027 0.0214  57  LEU B C     
1832 O O     . LEU B 59  ? 0.4617 1.1494 0.4475 -0.0895 -0.0025 0.0204  57  LEU B O     
1833 C CB    . LEU B 59  ? 0.3990 1.0633 0.3819 -0.0963 -0.0042 0.0308  57  LEU B CB    
1834 C CG    . LEU B 59  ? 0.3977 1.0597 0.3802 -0.0993 -0.0050 0.0354  57  LEU B CG    
1835 C CD1   . LEU B 59  ? 0.3824 1.0394 0.3618 -0.1028 -0.0056 0.0378  57  LEU B CD1   
1836 C CD2   . LEU B 59  ? 0.3836 1.0588 0.3689 -0.0987 -0.0051 0.0364  57  LEU B CD2   
1837 N N     . ALA B 60  ? 0.4224 1.1017 0.4100 -0.0874 -0.0022 0.0179  58  ALA B N     
1838 C CA    . ALA B 60  ? 0.3649 1.0509 0.3530 -0.0839 -0.0014 0.0122  58  ALA B CA    
1839 C C     . ALA B 60  ? 0.3580 1.0459 0.3487 -0.0814 -0.0009 0.0077  58  ALA B C     
1840 O O     . ALA B 60  ? 0.3906 1.0681 0.3848 -0.0825 -0.0015 0.0102  58  ALA B O     
1841 C CB    . ALA B 60  ? 0.3953 1.0733 0.3801 -0.0849 -0.0016 0.0148  58  ALA B CB    
1842 N N     . ALA B 61  ? 0.3565 1.0523 0.3530 -0.0770 -0.0004 0.0003  59  ALA B N     
1843 C CA    . ALA B 61  ? 0.3278 1.0198 0.3345 -0.0735 -0.0005 -0.0054 59  ALA B CA    
1844 C C     . ALA B 61  ? 0.3552 1.0597 0.3585 -0.0698 0.0004  -0.0121 59  ALA B C     
1845 O O     . ALA B 61  ? 0.3533 1.0661 0.3676 -0.0658 0.0001  -0.0197 59  ALA B O     
1846 C CB    . ALA B 61  ? 0.3177 1.0050 0.3466 -0.0710 -0.0020 -0.0094 59  ALA B CB    
1847 N N     . LYS B 62  ? 0.3580 1.0619 0.3506 -0.0704 0.0010  -0.0097 60  LYS B N     
1848 C CA    . LYS B 62  ? 0.3378 1.0503 0.3301 -0.0666 0.0015  -0.0145 60  LYS B CA    
1849 C C     . LYS B 62  ? 0.3391 1.0574 0.3346 -0.0630 0.0019  -0.0220 60  LYS B C     
1850 O O     . LYS B 62  ? 0.3578 1.0667 0.3525 -0.0641 0.0017  -0.0190 60  LYS B O     
1851 C CB    . LYS B 62  ? 0.3358 1.0389 0.3239 -0.0684 0.0010  -0.0070 60  LYS B CB    
1852 C CG    . LYS B 62  ? 0.3509 1.0474 0.3364 -0.0726 0.0003  0.0005  60  LYS B CG    
1853 C CD    . LYS B 62  ? 0.3690 1.0495 0.3521 -0.0764 -0.0005 0.0082  60  LYS B CD    
1854 C CE    . LYS B 62  ? 0.3864 1.0659 0.3670 -0.0776 -0.0012 0.0135  60  LYS B CE    
1855 N NZ    . LYS B 62  ? 0.3273 0.9933 0.3066 -0.0810 -0.0021 0.0196  60  LYS B NZ    
1856 N N     . GLU B 63  ? 0.3707 1.0983 0.3774 -0.0579 0.0016  -0.0321 61  GLU B N     
1857 C CA    . GLU B 63  ? 0.4171 1.1468 0.4335 -0.0532 0.0010  -0.0405 61  GLU B CA    
1858 C C     . GLU B 63  ? 0.4202 1.1614 0.4212 -0.0519 0.0025  -0.0399 61  GLU B C     
1859 O O     . GLU B 63  ? 0.3946 1.1440 0.3916 -0.0505 0.0028  -0.0396 61  GLU B O     
1860 C CB    . GLU B 63  ? 0.4296 1.1667 0.4641 -0.0479 -0.0007 -0.0523 61  GLU B CB    
1861 C CG    . GLU B 63  ? 0.4169 1.1479 0.4644 -0.0492 -0.0021 -0.0514 61  GLU B CG    
1862 C CD    . GLU B 63  ? 0.5151 1.2429 0.5898 -0.0451 -0.0055 -0.0608 61  GLU B CD    
1863 O OE1   . GLU B 63  ? 0.5787 1.3102 0.6618 -0.0409 -0.0068 -0.0695 61  GLU B OE1   
1864 O OE2   . GLU B 63  ? 0.5583 1.2802 0.6473 -0.0460 -0.0072 -0.0593 61  GLU B OE2   
1865 N N     . LEU B 64  ? 0.4169 1.1520 0.4175 -0.0519 0.0024  -0.0385 62  LEU B N     
1866 C CA    . LEU B 64  ? 0.4384 1.1721 0.4340 -0.0512 0.0026  -0.0337 62  LEU B CA    
1867 C C     . LEU B 64  ? 0.4745 1.2253 0.4717 -0.0449 0.0029  -0.0431 62  LEU B C     
1868 O O     . LEU B 64  ? 0.4728 1.2340 0.4752 -0.0410 0.0028  -0.0545 62  LEU B O     
1869 C CB    . LEU B 64  ? 0.4155 1.1367 0.4104 -0.0535 0.0023  -0.0284 62  LEU B CB    
1870 C CG    . LEU B 64  ? 0.4132 1.1169 0.4048 -0.0592 0.0018  -0.0170 62  LEU B CG    
1871 C CD1   . LEU B 64  ? 0.4103 1.1033 0.4013 -0.0609 0.0014  -0.0123 62  LEU B CD1   
1872 C CD2   . LEU B 64  ? 0.4171 1.1196 0.4052 -0.0605 0.0015  -0.0105 62  LEU B CD2   
1873 N N     . ALA B 65  ? 0.4809 1.2354 0.4748 -0.0438 0.0029  -0.0386 63  ALA B N     
1874 C CA    . ALA B 65  ? 0.4669 1.2385 0.4618 -0.0376 0.0031  -0.0467 63  ALA B CA    
1875 C C     . ALA B 65  ? 0.4829 1.2542 0.4735 -0.0377 0.0030  -0.0374 63  ALA B C     
1876 O O     . ALA B 65  ? 0.4809 1.2439 0.4681 -0.0420 0.0027  -0.0267 63  ALA B O     
1877 C CB    . ALA B 65  ? 0.4623 1.2495 0.4591 -0.0341 0.0031  -0.0559 63  ALA B CB    
1878 N N     . ASP B 66  ? 0.4742 1.2563 0.4655 -0.0328 0.0031  -0.0419 64  ASP B N     
1879 C CA    . ASP B 66  ? 0.4794 1.2652 0.4672 -0.0322 0.0030  -0.0334 64  ASP B CA    
1880 C C     . ASP B 66  ? 0.5062 1.3049 0.4918 -0.0304 0.0030  -0.0330 64  ASP B C     
1881 O O     . ASP B 66  ? 0.5233 1.3278 0.5103 -0.0295 0.0031  -0.0397 64  ASP B O     
1882 C CB    . ASP B 66  ? 0.4687 1.2649 0.4579 -0.0270 0.0031  -0.0388 64  ASP B CB    
1883 C CG    . ASP B 66  ? 0.5119 1.3300 0.5029 -0.0195 0.0032  -0.0514 64  ASP B CG    
1884 O OD1   . ASP B 66  ? 0.5031 1.3267 0.4967 -0.0181 0.0031  -0.0609 64  ASP B OD1   
1885 O OD2   . ASP B 66  ? 0.5049 1.3359 0.4951 -0.0149 0.0032  -0.0523 64  ASP B OD2   
1886 N N     . LYS B 67  ? 0.4942 1.2996 0.4768 -0.0296 0.0029  -0.0253 65  LYS B N     
1887 C CA    . LYS B 67  ? 0.5005 1.3186 0.4808 -0.0286 0.0028  -0.0231 65  LYS B CA    
1888 C C     . LYS B 67  ? 0.5434 1.3822 0.5255 -0.0212 0.0032  -0.0370 65  LYS B C     
1889 O O     . LYS B 67  ? 0.5622 1.4103 0.5439 -0.0203 0.0031  -0.0400 65  LYS B O     
1890 C CB    . LYS B 67  ? 0.4818 1.3035 0.4590 -0.0297 0.0024  -0.0105 65  LYS B CB    
1891 C CG    . LYS B 67  ? 0.4494 1.2551 0.4264 -0.0341 0.0019  -0.0006 65  LYS B CG    
1892 C CD    . LYS B 67  ? 0.4500 1.2643 0.4251 -0.0338 0.0014  0.0104  65  LYS B CD    
1893 C CE    . LYS B 67  ? 0.4116 1.2478 0.3862 -0.0262 0.0022  0.0041  65  LYS B CE    
1894 N NZ    . LYS B 67  ? 0.4078 1.2564 0.3804 -0.0254 0.0018  0.0151  65  LYS B NZ    
1895 N N     . ASP B 68  ? 0.5953 1.4427 0.5799 -0.0156 0.0034  -0.0464 66  ASP B N     
1896 C CA    . ASP B 68  ? 0.5422 1.4097 0.5297 -0.0079 0.0033  -0.0623 66  ASP B CA    
1897 C C     . ASP B 68  ? 0.5606 1.4265 0.5529 -0.0075 0.0029  -0.0746 66  ASP B C     
1898 O O     . ASP B 68  ? 0.5254 1.4080 0.5216 -0.0009 0.0023  -0.0899 66  ASP B O     
1899 C CB    . ASP B 68  ? 0.5417 1.4184 0.5313 -0.0021 0.0031  -0.0697 66  ASP B CB    
1900 C CG    . ASP B 68  ? 0.6510 1.5378 0.6366 0.0001  0.0035  -0.0606 66  ASP B CG    
1901 O OD1   . ASP B 68  ? 0.6239 1.5314 0.6102 0.0078  0.0034  -0.0694 66  ASP B OD1   
1902 O OD2   . ASP B 68  ? 0.6015 1.4761 0.5837 -0.0057 0.0038  -0.0449 66  ASP B OD2   
1903 N N     . GLY B 69  ? 0.5469 1.3942 0.5397 -0.0140 0.0031  -0.0689 67  GLY B N     
1904 C CA    . GLY B 69  ? 0.5524 1.3981 0.5497 -0.0144 0.0028  -0.0783 67  GLY B CA    
1905 C C     . GLY B 69  ? 0.5317 1.3752 0.5347 -0.0127 0.0024  -0.0889 67  GLY B C     
1906 O O     . GLY B 69  ? 0.5161 1.3619 0.5241 -0.0121 0.0020  -0.0988 67  GLY B O     
1907 N N     . THR B 70  ? 0.5204 1.3610 0.5233 -0.0118 0.0023  -0.0875 68  THR B N     
1908 C CA    . THR B 70  ? 0.5170 1.3593 0.5261 -0.0094 0.0016  -0.0995 68  THR B CA    
1909 C C     . THR B 70  ? 0.5080 1.3312 0.5173 -0.0164 0.0020  -0.0920 68  THR B C     
1910 O O     . THR B 70  ? 0.5047 1.3119 0.5088 -0.0225 0.0026  -0.0766 68  THR B O     
1911 C CB    . THR B 70  ? 0.5202 1.3705 0.5298 -0.0047 0.0011  -0.1029 68  THR B CB    
1912 O OG1   . THR B 70  ? 0.5202 1.3618 0.5233 -0.0081 0.0020  -0.0865 68  THR B OG1   
1913 C CG2   . THR B 70  ? 0.5298 1.4032 0.5421 0.0043  0.0002  -0.1172 68  THR B CG2   
1914 N N     . ASN B 71  ? 0.4718 1.2848 0.4999 -0.0152 -0.0011 -0.1008 69  ASN B N     
1915 C CA    . ASN B 71  ? 0.4172 1.2070 0.4548 -0.0212 -0.0023 -0.0936 69  ASN B CA    
1916 C C     . ASN B 71  ? 0.3865 1.1634 0.4200 -0.0251 -0.0017 -0.0839 69  ASN B C     
1917 O O     . ASN B 71  ? 0.4333 1.2129 0.4709 -0.0219 -0.0028 -0.0881 69  ASN B O     
1918 C CB    . ASN B 71  ? 0.3851 1.1671 0.4491 -0.0183 -0.0068 -0.1048 69  ASN B CB    
1919 C CG    . ASN B 71  ? 0.3976 1.1570 0.4738 -0.0238 -0.0084 -0.0972 69  ASN B CG    
1920 O OD1   . ASN B 71  ? 0.4086 1.1587 0.4733 -0.0297 -0.0060 -0.0850 69  ASN B OD1   
1921 N ND2   . ASN B 71  ? 0.4216 1.1729 0.5218 -0.0219 -0.0128 -0.1046 69  ASN B ND2   
1922 N N     . LEU B 72  ? 0.3812 1.1443 0.4074 -0.0317 -0.0004 -0.0715 70  LEU B N     
1923 C CA    . LEU B 72  ? 0.4407 1.1905 0.4647 -0.0353 -0.0003 -0.0631 70  LEU B CA    
1924 C C     . LEU B 72  ? 0.3890 1.1196 0.4303 -0.0378 -0.0027 -0.0628 70  LEU B C     
1925 O O     . LEU B 72  ? 0.3166 1.0369 0.3591 -0.0399 -0.0030 -0.0579 70  LEU B O     
1926 C CB    . LEU B 72  ? 0.4751 1.2233 0.4790 -0.0407 0.0023  -0.0495 70  LEU B CB    
1927 C CG    . LEU B 72  ? 0.4339 1.1900 0.4321 -0.0384 0.0027  -0.0459 70  LEU B CG    
1928 C CD1   . LEU B 72  ? 0.4351 1.1765 0.4284 -0.0432 0.0025  -0.0311 70  LEU B CD1   
1929 C CD2   . LEU B 72  ? 0.4292 1.1974 0.4291 -0.0330 0.0026  -0.0525 70  LEU B CD2   
1930 N N     . GLU B 73  ? 0.3826 1.1093 0.4381 -0.0375 -0.0045 -0.0675 71  GLU B N     
1931 C CA    . GLU B 73  ? 0.3948 1.1055 0.4689 -0.0396 -0.0071 -0.0667 71  GLU B CA    
1932 C C     . GLU B 73  ? 0.4243 1.1218 0.4898 -0.0460 -0.0055 -0.0541 71  GLU B C     
1933 O O     . GLU B 73  ? 0.3931 1.0778 0.4709 -0.0483 -0.0071 -0.0512 71  GLU B O     
1934 C CB    . GLU B 73  ? 0.3246 1.0305 0.4143 -0.0374 -0.0099 -0.0716 71  GLU B CB    
1935 C CG    . GLU B 73  ? 0.3822 1.0917 0.4956 -0.0328 -0.0142 -0.0838 71  GLU B CG    
1936 C CD    . GLU B 73  ? 0.3996 1.1005 0.5294 -0.0349 -0.0162 -0.0826 71  GLU B CD    
1937 O OE1   . GLU B 73  ? 0.3890 1.0770 0.5192 -0.0398 -0.0155 -0.0726 71  GLU B OE1   
1938 O OE2   . GLU B 73  ? 0.4324 1.1405 0.5748 -0.0312 -0.0187 -0.0916 71  GLU B OE2   
1939 N N     . LEU B 74  ? 0.4010 1.1021 0.4462 -0.0489 -0.0028 -0.0468 72  LEU B N     
1940 C CA    . LEU B 74  ? 0.3858 1.0758 0.4216 -0.0546 -0.0018 -0.0359 72  LEU B CA    
1941 C C     . LEU B 74  ? 0.4489 1.1415 0.4787 -0.0567 -0.0011 -0.0328 72  LEU B C     
1942 O O     . LEU B 74  ? 0.4603 1.1656 0.4811 -0.0552 0.0000  -0.0349 72  LEU B O     
1943 C CB    . LEU B 74  ? 0.3395 1.0300 0.3577 -0.0568 -0.0001 -0.0287 72  LEU B CB    
1944 C CG    . LEU B 74  ? 0.2946 0.9793 0.3191 -0.0558 -0.0009 -0.0295 72  LEU B CG    
1945 C CD1   . LEU B 74  ? 0.3007 0.9831 0.3098 -0.0589 0.0003  -0.0207 72  LEU B CD1   
1946 C CD2   . LEU B 74  ? 0.3341 1.0057 0.3742 -0.0572 -0.0026 -0.0294 72  LEU B CD2   
1947 N N     . THR B 75  ? 0.4146 1.0962 0.4491 -0.0602 -0.0017 -0.0275 73  THR B N     
1948 C CA    . THR B 75  ? 0.3729 1.0554 0.4006 -0.0631 -0.0012 -0.0226 73  THR B CA    
1949 C C     . THR B 75  ? 0.3471 1.0224 0.3591 -0.0682 -0.0004 -0.0126 73  THR B C     
1950 O O     . THR B 75  ? 0.3760 1.0415 0.3901 -0.0697 -0.0008 -0.0095 73  THR B O     
1951 C CB    . THR B 75  ? 0.3946 1.0714 0.4406 -0.0630 -0.0030 -0.0239 73  THR B CB    
1952 O OG1   . THR B 75  ? 0.3517 1.0353 0.4151 -0.0580 -0.0046 -0.0341 73  THR B OG1   
1953 C CG2   . THR B 75  ? 0.3743 1.0517 0.4123 -0.0662 -0.0024 -0.0179 73  THR B CG2   
1954 N N     . LEU B 76  ? 0.3286 1.0096 0.3257 -0.0706 0.0005  -0.0080 74  LEU B N     
1955 C CA    . LEU B 76  ? 0.3432 1.0122 0.3334 -0.0749 0.0000  0.0007  74  LEU B CA    
1956 C C     . LEU B 76  ? 0.3839 1.0517 0.3736 -0.0776 -0.0004 0.0042  74  LEU B C     
1957 O O     . LEU B 76  ? 0.3572 1.0323 0.3467 -0.0769 -0.0002 0.0029  74  LEU B O     
1958 C CB    . LEU B 76  ? 0.3432 1.0083 0.3305 -0.0748 -0.0002 0.0040  74  LEU B CB    
1959 C CG    . LEU B 76  ? 0.3332 0.9892 0.3194 -0.0755 -0.0005 0.0072  74  LEU B CG    
1960 C CD1   . LEU B 76  ? 0.3439 1.0076 0.3328 -0.0720 0.0001  0.0010  74  LEU B CD1   
1961 C CD2   . LEU B 76  ? 0.3068 0.9609 0.2905 -0.0761 -0.0009 0.0116  74  LEU B CD2   
1962 N N     . LEU B 77  ? 0.4036 1.0632 0.3930 -0.0807 -0.0010 0.0087  75  LEU B N     
1963 C CA    . LEU B 77  ? 0.3905 1.0500 0.3796 -0.0832 -0.0015 0.0123  75  LEU B CA    
1964 C C     . LEU B 77  ? 0.3769 1.0233 0.3631 -0.0868 -0.0023 0.0186  75  LEU B C     
1965 O O     . LEU B 77  ? 0.3437 0.9813 0.3289 -0.0877 -0.0026 0.0202  75  LEU B O     
1966 C CB    . LEU B 77  ? 0.3422 0.9999 0.3455 -0.0819 -0.0021 0.0107  75  LEU B CB    
1967 C CG    . LEU B 77  ? 0.3076 0.9568 0.3205 -0.0810 -0.0027 0.0100  75  LEU B CG    
1968 C CD1   . LEU B 77  ? 0.3410 0.9830 0.3475 -0.0848 -0.0031 0.0168  75  LEU B CD1   
1969 C CD2   . LEU B 77  ? 0.2934 0.9420 0.3273 -0.0783 -0.0039 0.0065  75  LEU B CD2   
1970 N N     . LYS B 78  ? 0.4337 1.0806 0.4186 -0.0887 -0.0027 0.0213  76  LYS B N     
1971 C CA    . LYS B 78  ? 0.4351 1.0731 0.4175 -0.0923 -0.0035 0.0261  76  LYS B CA    
1972 C C     . LYS B 78  ? 0.4348 1.0746 0.4182 -0.0939 -0.0040 0.0287  76  LYS B C     
1973 O O     . LYS B 78  ? 0.4356 1.0851 0.4207 -0.0933 -0.0039 0.0283  76  LYS B O     
1974 C CB    . LYS B 78  ? 0.4387 1.0788 0.4191 -0.0935 -0.0037 0.0272  76  LYS B CB    
1975 C CG    . LYS B 78  ? 0.4780 1.1126 0.4561 -0.0974 -0.0045 0.0311  76  LYS B CG    
1976 C CD    . LYS B 78  ? 0.5464 1.1774 0.5226 -0.0991 -0.0049 0.0326  76  LYS B CD    
1977 C CE    . LYS B 78  ? 0.7664 1.3988 0.7408 -0.1033 -0.0057 0.0356  76  LYS B CE    
1978 N NZ    . LYS B 78  ? 0.7254 1.3515 0.6983 -0.1069 -0.0063 0.0377  76  LYS B NZ    
1979 N N     . LEU B 79  ? 0.4249 1.0570 0.4075 -0.0958 -0.0045 0.0315  77  LEU B N     
1980 C CA    . LEU B 79  ? 0.4004 1.0346 0.3841 -0.0973 -0.0051 0.0349  77  LEU B CA    
1981 C C     . LEU B 79  ? 0.4166 1.0475 0.3979 -0.1003 -0.0057 0.0378  77  LEU B C     
1982 O O     . LEU B 79  ? 0.4273 1.0520 0.4061 -0.1017 -0.0058 0.0373  77  LEU B O     
1983 C CB    . LEU B 79  ? 0.3960 1.0261 0.3805 -0.0975 -0.0054 0.0360  77  LEU B CB    
1984 C CG    . LEU B 79  ? 0.4059 1.0387 0.3924 -0.0948 -0.0047 0.0323  77  LEU B CG    
1985 C CD1   . LEU B 79  ? 0.4019 1.0271 0.3878 -0.0951 -0.0047 0.0321  77  LEU B CD1   
1986 C CD2   . LEU B 79  ? 0.4018 1.0387 0.4011 -0.0927 -0.0050 0.0317  77  LEU B CD2   
1987 N N     . ASN B 80  ? 0.3931 1.0173 0.4439 -0.0802 0.0311  0.0977  78  ASN B N     
1988 C CA    . ASN B 80  ? 0.3723 1.0236 0.4060 -0.0901 0.0177  0.1189  78  ASN B CA    
1989 C C     . ASN B 80  ? 0.3419 0.9732 0.3527 -0.0935 0.0222  0.1220  78  ASN B C     
1990 O O     . ASN B 80  ? 0.3452 0.9698 0.3593 -0.0802 0.0356  0.1333  78  ASN B O     
1991 C CB    . ASN B 80  ? 0.3582 1.0387 0.4116 -0.0784 0.0195  0.1371  78  ASN B CB    
1992 C CG    . ASN B 80  ? 0.3284 1.0509 0.3689 -0.0903 0.0001  0.1539  78  ASN B CG    
1993 O OD1   . ASN B 80  ? 0.3223 1.0501 0.3460 -0.1083 -0.0137 0.1489  78  ASN B OD1   
1994 N ND2   . ASN B 80  ? 0.2927 1.0464 0.3445 -0.0799 0.0004  0.1739  78  ASN B ND2   
1995 N N     . ARG B 81  ? 0.3524 0.9707 0.3393 -0.1099 0.0120  0.1128  79  ARG B N     
1996 C CA    . ARG B 81  ? 0.3980 0.9908 0.3558 -0.1140 0.0126  0.1116  79  ARG B CA    
1997 C C     . ARG B 81  ? 0.4204 1.0165 0.3622 -0.1357 -0.0053 0.1047  79  ARG B C     
1998 O O     . ARG B 81  ? 0.4429 1.0508 0.3974 -0.1469 -0.0116 0.1001  79  ARG B O     
1999 C CB    . ARG B 81  ? 0.4308 0.9800 0.3864 -0.1073 0.0301  0.0968  79  ARG B CB    
2000 C CG    . ARG B 81  ? 0.4602 0.9950 0.4188 -0.1166 0.0270  0.0771  79  ARG B CG    
2001 C CD    . ARG B 81  ? 0.4477 0.9501 0.4160 -0.1066 0.0452  0.0599  79  ARG B CD    
2002 N NE    . ARG B 81  ? 0.4847 0.9535 0.4269 -0.1135 0.0475  0.0517  79  ARG B NE    
2003 C CZ    . ARG B 81  ? 0.5265 0.9682 0.4661 -0.1044 0.0652  0.0496  79  ARG B CZ    
2004 N NH1   . ARG B 81  ? 0.5229 0.9667 0.4882 -0.0886 0.0839  0.0572  79  ARG B NH1   
2005 N NH2   . ARG B 81  ? 0.5894 1.0006 0.5037 -0.1109 0.0658  0.0405  79  ARG B NH2   
2006 N N     . ASN B 82  ? 0.4292 1.0163 0.3465 -0.1400 -0.0124 0.1043  80  ASN B N     
2007 C CA    . ASN B 82  ? 0.4873 1.0756 0.3969 -0.1608 -0.0267 0.0948  80  ASN B CA    
2008 C C     . ASN B 82  ? 0.5033 1.0556 0.4041 -0.1713 -0.0229 0.0788  80  ASN B C     
2009 O O     . ASN B 82  ? 0.4590 1.0135 0.3644 -0.1889 -0.0298 0.0739  80  ASN B O     
2010 C CB    . ASN B 82  ? 0.4948 1.0885 0.3837 -0.1602 -0.0372 0.0937  80  ASN B CB    
2011 C CG    . ASN B 82  ? 0.5363 1.1282 0.4210 -0.1813 -0.0507 0.0788  80  ASN B CG    
2012 O OD1   . ASN B 82  ? 0.5363 1.1502 0.4391 -0.1932 -0.0585 0.0807  80  ASN B OD1   
2013 N ND2   . ASN B 82  ? 0.5905 1.1539 0.4536 -0.1857 -0.0520 0.0635  80  ASN B ND2   
2014 N N     . GLU B 83  ? 0.5247 1.0442 0.4153 -0.1599 -0.0100 0.0723  81  GLU B N     
2015 C CA    . GLU B 83  ? 0.5229 1.0073 0.4044 -0.1672 -0.0055 0.0563  81  GLU B CA    
2016 C C     . GLU B 83  ? 0.5552 1.0455 0.4582 -0.1695 -0.0027 0.0533  81  GLU B C     
2017 O O     . GLU B 83  ? 0.5200 1.0241 0.4425 -0.1562 0.0040  0.0566  81  GLU B O     
2018 C CB    . GLU B 83  ? 0.5308 0.9814 0.3994 -0.1527 0.0100  0.0505  81  GLU B CB    
2019 C CG    . GLU B 83  ? 0.5930 1.0409 0.4383 -0.1443 0.0099  0.0578  81  GLU B CG    
2020 C CD    . GLU B 83  ? 0.6076 1.0825 0.4623 -0.1272 0.0151  0.0788  81  GLU B CD    
2021 O OE1   . GLU B 83  ? 0.5804 1.0616 0.4604 -0.1184 0.0270  0.0841  81  GLU B OE1   
2022 O OE2   . GLU B 83  ? 0.6893 1.1821 0.5289 -0.1219 0.0069  0.0888  81  GLU B OE2   
2023 N N     . LYS B 84  ? 0.5265 1.0084 0.4258 -0.1849 -0.0080 0.0473  82  LYS B N     
2024 C CA    . LYS B 84  ? 0.4641 0.9483 0.3785 -0.1828 -0.0042 0.0451  82  LYS B CA    
2025 C C     . LYS B 84  ? 0.4931 0.9417 0.4000 -0.1737 0.0066  0.0287  82  LYS B C     
2026 O O     . LYS B 84  ? 0.5448 0.9637 0.4321 -0.1781 0.0088  0.0196  82  LYS B O     
2027 C CB    . LYS B 84  ? 0.4819 0.9780 0.3968 -0.2031 -0.0126 0.0521  82  LYS B CB    
2028 C CG    . LYS B 84  ? 0.4899 1.0196 0.4099 -0.2167 -0.0234 0.0651  82  LYS B CG    
2029 C CD    . LYS B 84  ? 0.4969 1.0394 0.4338 -0.2297 -0.0282 0.0763  82  LYS B CD    
2030 C CE    . LYS B 84  ? 0.5576 1.0711 0.4963 -0.2462 -0.0307 0.0675  82  LYS B CE    
2031 N NZ    . LYS B 84  ? 0.5586 1.0734 0.5202 -0.2612 -0.0394 0.0721  82  LYS B NZ    
2032 N N     . PHE B 85  ? 0.4648 0.9191 0.3875 -0.1601 0.0128  0.0232  83  PHE B N     
2033 C CA    . PHE B 85  ? 0.4333 0.8606 0.3527 -0.1520 0.0226  0.0055  83  PHE B CA    
2034 C C     . PHE B 85  ? 0.4744 0.8894 0.3839 -0.1635 0.0190  0.0042  83  PHE B C     
2035 O O     . PHE B 85  ? 0.5048 0.9377 0.4168 -0.1743 0.0116  0.0182  83  PHE B O     
2036 C CB    . PHE B 85  ? 0.3676 0.8109 0.3084 -0.1325 0.0295  -0.0042 83  PHE B CB    
2037 C CG    . PHE B 85  ? 0.3412 0.7900 0.2959 -0.1202 0.0380  -0.0069 83  PHE B CG    
2038 C CD1   . PHE B 85  ? 0.3878 0.8095 0.3417 -0.1154 0.0514  -0.0165 83  PHE B CD1   
2039 C CD2   . PHE B 85  ? 0.3399 0.8199 0.3122 -0.1116 0.0354  -0.0001 83  PHE B CD2   
2040 C CE1   . PHE B 85  ? 0.4222 0.8478 0.3970 -0.1030 0.0637  -0.0165 83  PHE B CE1   
2041 C CE2   . PHE B 85  ? 0.3200 0.8028 0.3109 -0.0994 0.0457  -0.0028 83  PHE B CE2   
2042 C CZ    . PHE B 85  ? 0.3711 0.8271 0.3663 -0.0951 0.0607  -0.0101 83  PHE B CZ    
2043 N N     . ARG B 86  ? 0.4960 0.8801 0.3956 -0.1616 0.0258  -0.0117 84  ARG B N     
2044 C CA    . ARG B 86  ? 0.4881 0.8608 0.3799 -0.1691 0.0249  -0.0138 84  ARG B CA    
2045 C C     . ARG B 86  ? 0.4582 0.8613 0.3670 -0.1562 0.0251  -0.0070 84  ARG B C     
2046 O O     . ARG B 86  ? 0.4454 0.8637 0.3694 -0.1370 0.0293  -0.0169 84  ARG B O     
2047 C CB    . ARG B 86  ? 0.5059 0.8422 0.3877 -0.1652 0.0328  -0.0345 84  ARG B CB    
2048 C CG    . ARG B 86  ? 0.4754 0.8027 0.3509 -0.1689 0.0332  -0.0372 84  ARG B CG    
2049 C CD    . ARG B 86  ? 0.4805 0.7716 0.3492 -0.1643 0.0401  -0.0592 84  ARG B CD    
2050 N NE    . ARG B 86  ? 0.4435 0.7383 0.3317 -0.1429 0.0480  -0.0749 84  ARG B NE    
2051 C CZ    . ARG B 86  ? 0.4207 0.7002 0.3151 -0.1327 0.0530  -0.0922 84  ARG B CZ    
2052 N NH1   . ARG B 86  ? 0.4337 0.6938 0.3148 -0.1396 0.0517  -0.0947 84  ARG B NH1   
2053 N NH2   . ARG B 86  ? 0.4031 0.6867 0.3203 -0.1157 0.0591  -0.1082 84  ARG B NH2   
2054 N N     . ASP B 87  ? 0.4761 0.8905 0.3838 -0.1663 0.0214  0.0104  85  ASP B N     
2055 C CA    . ASP B 87  ? 0.4579 0.9043 0.3803 -0.1519 0.0220  0.0235  85  ASP B CA    
2056 C C     . ASP B 87  ? 0.4629 0.9078 0.3843 -0.1344 0.0281  0.0111  85  ASP B C     
2057 O O     . ASP B 87  ? 0.4712 0.9075 0.3848 -0.1393 0.0313  0.0196  85  ASP B O     
2058 C CB    . ASP B 87  ? 0.4423 0.8965 0.3689 -0.1683 0.0196  0.0501  85  ASP B CB    
2059 C CG    . ASP B 87  ? 0.4439 0.9319 0.3862 -0.1517 0.0213  0.0695  85  ASP B CG    
2060 O OD1   . ASP B 87  ? 0.4398 0.9475 0.3851 -0.1276 0.0233  0.0593  85  ASP B OD1   
2061 O OD2   . ASP B 87  ? 0.4589 0.9555 0.4140 -0.1624 0.0209  0.0942  85  ASP B OD2   
2062 N N     . ILE B 88  ? 0.4447 0.9022 0.3774 -0.1139 0.0301  -0.0081 86  ILE B N     
2063 C CA    . ILE B 88  ? 0.4328 0.8919 0.3675 -0.0965 0.0340  -0.0247 86  ILE B CA    
2064 C C     . ILE B 88  ? 0.4570 0.9615 0.4023 -0.0763 0.0315  -0.0133 86  ILE B C     
2065 O O     . ILE B 88  ? 0.4863 1.0075 0.4390 -0.0560 0.0315  -0.0291 86  ILE B O     
2066 C CB    . ILE B 88  ? 0.4020 0.8478 0.3484 -0.0869 0.0374  -0.0549 86  ILE B CB    
2067 C CG1   . ILE B 88  ? 0.3721 0.8490 0.3386 -0.0744 0.0349  -0.0606 86  ILE B CG1   
2068 C CG2   . ILE B 88  ? 0.4233 0.8271 0.3583 -0.1042 0.0414  -0.0608 86  ILE B CG2   
2069 C CD1   . ILE B 88  ? 0.3355 0.7919 0.3156 -0.0708 0.0408  -0.0853 86  ILE B CD1   
2070 N N     . ARG B 89  ? 0.4569 0.9835 0.4046 -0.0807 0.0288  0.0142  87  ARG B N     
2071 C CA    . ARG B 89  ? 0.4222 0.9941 0.3794 -0.0596 0.0273  0.0278  87  ARG B CA    
2072 C C     . ARG B 89  ? 0.4577 1.0346 0.4071 -0.0479 0.0319  0.0376  87  ARG B C     
2073 O O     . ARG B 89  ? 0.4666 1.0812 0.4223 -0.0227 0.0300  0.0349  87  ARG B O     
2074 C CB    . ARG B 89  ? 0.3871 0.9765 0.3508 -0.0679 0.0251  0.0570  87  ARG B CB    
2075 C CG    . ARG B 89  ? 0.3743 0.9721 0.3469 -0.0717 0.0195  0.0475  87  ARG B CG    
2076 C CD    . ARG B 89  ? 0.3875 1.0034 0.3673 -0.0789 0.0168  0.0753  87  ARG B CD    
2077 N NE    . ARG B 89  ? 0.4353 1.0299 0.4114 -0.0963 0.0208  0.0997  87  ARG B NE    
2078 C CZ    . ARG B 89  ? 0.4693 1.0601 0.4531 -0.1139 0.0193  0.1206  87  ARG B CZ    
2079 N NH1   . ARG B 89  ? 0.4263 1.0354 0.4181 -0.1150 0.0134  0.1228  87  ARG B NH1   
2080 N NH2   . ARG B 89  ? 0.4865 1.0552 0.4740 -0.1308 0.0242  0.1394  87  ARG B NH2   
2081 N N     . GLY B 90  ? 0.4685 1.0102 0.4045 -0.0651 0.0372  0.0474  88  GLY B N     
2082 C CA    . GLY B 90  ? 0.4543 0.9977 0.3824 -0.0538 0.0431  0.0568  88  GLY B CA    
2083 C C     . GLY B 90  ? 0.4550 1.0047 0.3815 -0.0325 0.0411  0.0245  88  GLY B C     
2084 O O     . GLY B 90  ? 0.4678 1.0302 0.3889 -0.0162 0.0443  0.0317  88  GLY B O     
2085 N N     . PHE B 91  ? 0.4723 1.0134 0.4075 -0.0318 0.0364  -0.0093 89  PHE B N     
2086 C CA    . PHE B 91  ? 0.5114 1.0544 0.4550 -0.0144 0.0338  -0.0420 89  PHE B CA    
2087 C C     . PHE B 91  ? 0.4714 1.0647 0.4348 0.0100  0.0252  -0.0536 89  PHE B C     
2088 O O     . PHE B 91  ? 0.4579 1.0646 0.4308 0.0273  0.0201  -0.0760 89  PHE B O     
2089 C CB    . PHE B 91  ? 0.5008 1.0003 0.4502 -0.0279 0.0351  -0.0717 89  PHE B CB    
2090 C CG    . PHE B 91  ? 0.4543 0.9050 0.3842 -0.0515 0.0411  -0.0680 89  PHE B CG    
2091 C CD1   . PHE B 91  ? 0.4702 0.9145 0.3800 -0.0605 0.0446  -0.0453 89  PHE B CD1   
2092 C CD2   . PHE B 91  ? 0.4597 0.8723 0.3926 -0.0647 0.0435  -0.0862 89  PHE B CD2   
2093 C CE1   . PHE B 91  ? 0.4958 0.8971 0.3883 -0.0853 0.0483  -0.0457 89  PHE B CE1   
2094 C CE2   . PHE B 91  ? 0.4673 0.8369 0.3811 -0.0859 0.0470  -0.0851 89  PHE B CE2   
2095 C CZ    . PHE B 91  ? 0.4870 0.8505 0.3798 -0.0976 0.0481  -0.0678 89  PHE B CZ    
2096 N N     . LEU B 92  ? 0.3954 1.2919 0.4456 -0.1141 -0.0632 0.1710  90  LEU B N     
2097 C CA    . LEU B 92  ? 0.4020 1.3168 0.4474 -0.1092 -0.0539 0.1746  90  LEU B CA    
2098 C C     . LEU B 92  ? 0.4091 1.3293 0.4555 -0.1205 -0.0600 0.1849  90  LEU B C     
2099 O O     . LEU B 92  ? 0.3935 1.3223 0.4421 -0.1356 -0.0672 0.1957  90  LEU B O     
2100 C CB    . LEU B 92  ? 0.3688 1.3167 0.4097 -0.1084 -0.0436 0.1802  90  LEU B CB    
2101 C CG    . LEU B 92  ? 0.3606 1.3055 0.3999 -0.0986 -0.0385 0.1718  90  LEU B CG    
2102 C CD1   . LEU B 92  ? 0.3657 1.3436 0.4009 -0.1011 -0.0319 0.1787  90  LEU B CD1   
2103 C CD2   . LEU B 92  ? 0.3485 1.2791 0.3856 -0.0826 -0.0333 0.1607  90  LEU B CD2   
2104 N N     . ALA B 93  ? 0.4877 1.4023 0.5327 -0.1137 -0.0583 0.1821  91  ALA B N     
2105 C CA    . ALA B 93  ? 0.6350 1.5574 0.6802 -0.1245 -0.0636 0.1930  91  ALA B CA    
2106 C C     . ALA B 93  ? 0.6831 1.6483 0.7246 -0.1303 -0.0540 0.2055  91  ALA B C     
2107 O O     . ALA B 93  ? 0.6039 1.5884 0.6420 -0.1211 -0.0428 0.2022  91  ALA B O     
2108 C CB    . ALA B 93  ? 0.7305 1.6346 0.7750 -0.1154 -0.0653 0.1860  91  ALA B CB    
2109 N N     . LYS B 94  ? 0.8260 1.8069 0.8679 -0.1458 -0.0589 0.2202  92  LYS B N     
2110 C CA    . LYS B 94  ? 0.9504 1.9772 0.9888 -0.1520 -0.0492 0.2331  92  LYS B CA    
2111 C C     . LYS B 94  ? 1.0424 2.0851 1.0776 -0.1360 -0.0376 0.2261  92  LYS B C     
2112 O O     . LYS B 94  ? 0.9619 2.0338 0.9932 -0.1284 -0.0265 0.2250  92  LYS B O     
2113 C CB    . LYS B 94  ? 0.9327 1.9736 0.9724 -0.1737 -0.0576 0.2520  92  LYS B CB    
2114 C CG    . LYS B 94  ? 0.9982 2.0928 1.0344 -0.1820 -0.0472 0.2676  92  LYS B CG    
2115 C CD    . LYS B 94  ? 0.8569 1.9752 0.8906 -0.1759 -0.0396 0.2652  92  LYS B CD    
2116 C CE    . LYS B 94  ? 0.8003 1.9521 0.8344 -0.1877 -0.0412 0.2791  92  LYS B CE    
2117 N NZ    . LYS B 94  ? 0.6911 1.8635 0.7239 -0.1691 -0.0327 0.2685  92  LYS B NZ    
2118 N N     . GLU B 95  ? 1.6722 2.6943 1.7087 -0.1293 -0.0413 0.2200  93  GLU B N     
2119 C CA    . GLU B 95  ? 1.6617 2.6895 1.6960 -0.1111 -0.0325 0.2095  93  GLU B CA    
2120 C C     . GLU B 95  ? 1.6533 2.6372 1.6890 -0.0999 -0.0391 0.1956  93  GLU B C     
2121 O O     . GLU B 95  ? 1.6555 2.6070 1.6935 -0.1051 -0.0498 0.1934  93  GLU B O     
2122 C CB    . GLU B 95  ? 1.6688 2.7365 1.7022 -0.1143 -0.0266 0.2193  93  GLU B CB    
2123 C CG    . GLU B 95  ? 1.6767 2.7734 1.7090 -0.1155 -0.0218 0.2232  93  GLU B CG    
2124 C CD    . GLU B 95  ? 1.7788 2.8972 1.8130 -0.1380 -0.0274 0.2422  93  GLU B CD    
2125 O OE1   . GLU B 95  ? 1.8849 2.9927 1.9203 -0.1545 -0.0342 0.2530  93  GLU B OE1   
2126 O OE2   . GLU B 95  ? 1.7963 2.9385 1.8299 -0.1384 -0.0254 0.2450  93  GLU B OE2   
2127 N N     . GLU B 96  ? 0.9549 1.9402 0.9887 -0.0841 -0.0332 0.1862  94  GLU B N     
2128 C CA    . GLU B 96  ? 0.8050 1.7544 0.8389 -0.0697 -0.0357 0.1712  94  GLU B CA    
2129 C C     . GLU B 96  ? 0.7671 1.6802 0.8031 -0.0741 -0.0480 0.1690  94  GLU B C     
2130 O O     . GLU B 96  ? 0.7506 1.6652 0.7867 -0.0845 -0.0548 0.1776  94  GLU B O     
2131 C CB    . GLU B 96  ? 0.6667 1.6263 0.6981 -0.0542 -0.0296 0.1639  94  GLU B CB    
2132 C CG    . GLU B 96  ? 0.5910 1.5749 0.6198 -0.0445 -0.0196 0.1601  94  GLU B CG    
2133 C CD    . GLU B 96  ? 0.6248 1.6554 0.6514 -0.0436 -0.0115 0.1667  94  GLU B CD    
2134 O OE1   . GLU B 96  ? 0.7120 1.7687 0.7398 -0.0586 -0.0109 0.1805  94  GLU B OE1   
2135 O OE2   . GLU B 96  ? 0.5638 1.6069 0.5877 -0.0281 -0.0061 0.1582  94  GLU B OE2   
2136 N N     . VAL B 97  ? 0.6673 1.5484 0.7048 -0.0665 -0.0514 0.1576  95  VAL B N     
2137 C CA    . VAL B 97  ? 0.6117 1.4580 0.6516 -0.0689 -0.0631 0.1529  95  VAL B CA    
2138 C C     . VAL B 97  ? 0.5597 1.3812 0.5996 -0.0547 -0.0635 0.1400  95  VAL B C     
2139 O O     . VAL B 97  ? 0.5090 1.3268 0.5493 -0.0460 -0.0579 0.1328  95  VAL B O     
2140 C CB    . VAL B 97  ? 0.6376 1.4717 0.6807 -0.0757 -0.0681 0.1522  95  VAL B CB    
2141 C CG1   . VAL B 97  ? 0.5820 1.3825 0.6278 -0.0769 -0.0814 0.1461  95  VAL B CG1   
2142 C CG2   . VAL B 97  ? 0.7278 1.5851 0.7710 -0.0902 -0.0686 0.1651  95  VAL B CG2   
2143 N N     . GLU B 98  ? 0.5266 1.3300 0.5662 -0.0533 -0.0715 0.1377  96  GLU B N     
2144 C CA    . GLU B 98  ? 0.4865 1.2631 0.5270 -0.0421 -0.0745 0.1261  96  GLU B CA    
2145 C C     . GLU B 98  ? 0.4695 1.2206 0.5141 -0.0444 -0.0826 0.1201  96  GLU B C     
2146 O O     . GLU B 98  ? 0.4528 1.2005 0.4987 -0.0542 -0.0903 0.1245  96  GLU B O     
2147 C CB    . GLU B 98  ? 0.4712 1.2411 0.5091 -0.0393 -0.0799 0.1261  96  GLU B CB    
2148 C CG    . GLU B 98  ? 0.4285 1.2222 0.4627 -0.0327 -0.0717 0.1281  96  GLU B CG    
2149 C CD    . GLU B 98  ? 0.4726 1.2538 0.5039 -0.0256 -0.0770 0.1241  96  GLU B CD    
2150 O OE1   . GLU B 98  ? 0.5274 1.2898 0.5579 -0.0301 -0.0874 0.1250  96  GLU B OE1   
2151 O OE2   . GLU B 98  ? 0.4465 1.2350 0.4758 -0.0145 -0.0718 0.1193  96  GLU B OE2   
2152 N N     . VAL B 99  ? 0.4597 1.1947 0.5065 -0.0355 -0.0813 0.1103  97  VAL B N     
2153 C CA    . VAL B 99  ? 0.4525 1.1691 0.5035 -0.0368 -0.0876 0.1042  97  VAL B CA    
2154 C C     . VAL B 99  ? 0.4574 1.1541 0.5107 -0.0274 -0.0895 0.0942  97  VAL B C     
2155 O O     . VAL B 99  ? 0.4399 1.1386 0.4921 -0.0199 -0.0831 0.0917  97  VAL B O     
2156 C CB    . VAL B 99  ? 0.4708 1.1992 0.5226 -0.0400 -0.0815 0.1057  97  VAL B CB    
2157 C CG1   . VAL B 99  ? 0.4585 1.1870 0.5100 -0.0313 -0.0733 0.1004  97  VAL B CG1   
2158 C CG2   . VAL B 99  ? 0.4648 1.1822 0.5203 -0.0459 -0.0903 0.1033  97  VAL B CG2   
2159 N N     . ASN B 100 ? 0.4244 1.1019 0.4813 -0.0278 -0.0995 0.0884  98  ASN B N     
2160 C CA    . ASN B 100 ? 0.4620 1.1219 0.5217 -0.0200 -0.1030 0.0798  98  ASN B CA    
2161 C C     . ASN B 100 ? 0.5012 1.1654 0.5632 -0.0154 -0.0957 0.0753  98  ASN B C     
2162 O O     . ASN B 100 ? 0.4866 1.1473 0.5493 -0.0090 -0.0933 0.0720  98  ASN B O     
2163 C CB    . ASN B 100 ? 0.4633 1.1052 0.5265 -0.0215 -0.1163 0.0746  98  ASN B CB    
2164 C CG    . ASN B 100 ? 0.5446 1.1769 0.6053 -0.0215 -0.1248 0.0762  98  ASN B CG    
2165 O OD1   . ASN B 100 ? 0.5665 1.1969 0.6252 -0.0159 -0.1222 0.0755  98  ASN B OD1   
2166 N ND2   . ASN B 100 ? 0.5717 1.1971 0.6319 -0.0277 -0.1365 0.0784  98  ASN B ND2   
2167 N N     . GLU B 101 ? 0.4882 1.1599 0.5512 -0.0190 -0.0930 0.0756  99  GLU B N     
2168 C CA    . GLU B 101 ? 0.4385 1.1158 0.5027 -0.0162 -0.0867 0.0724  99  GLU B CA    
2169 C C     . GLU B 101 ? 0.4173 1.1105 0.4786 -0.0206 -0.0801 0.0779  99  GLU B C     
2170 O O     . GLU B 101 ? 0.4227 1.1176 0.4845 -0.0267 -0.0841 0.0801  99  GLU B O     
2171 C CB    . GLU B 101 ? 0.4802 1.1488 0.5494 -0.0155 -0.0928 0.0646  99  GLU B CB    
2172 C CG    . GLU B 101 ? 0.5291 1.1858 0.6020 -0.0098 -0.0969 0.0582  99  GLU B CG    
2173 C CD    . GLU B 101 ? 0.6191 1.2820 0.6930 -0.0059 -0.0899 0.0563  99  GLU B CD    
2174 O OE1   . GLU B 101 ? 0.6007 1.2748 0.6734 -0.0075 -0.0843 0.0573  99  GLU B OE1   
2175 O OE2   . GLU B 101 ? 0.7072 1.3632 0.7832 -0.0015 -0.0912 0.0541  99  GLU B OE2   
2176 N N     . ALA B 102 ? 0.4599 1.1636 0.5187 -0.0175 -0.0715 0.0802  100 ALA B N     
2177 C CA    . ALA B 102 ? 0.4189 1.1385 0.4746 -0.0205 -0.0651 0.0854  100 ALA B CA    
2178 C C     . ALA B 102 ? 0.3976 1.1220 0.4526 -0.0171 -0.0596 0.0841  100 ALA B C     
2179 O O     . ALA B 102 ? 0.3866 1.1037 0.4433 -0.0125 -0.0601 0.0807  100 ALA B O     
2180 C CB    . ALA B 102 ? 0.3632 1.0938 0.4154 -0.0199 -0.0609 0.0913  100 ALA B CB    
2181 N N     . VAL B 103 ? 0.3870 1.1240 0.4397 -0.0199 -0.0551 0.0874  101 VAL B N     
2182 C CA    . VAL B 103 ? 0.3542 1.0971 0.4057 -0.0176 -0.0505 0.0875  101 VAL B CA    
2183 C C     . VAL B 103 ? 0.2945 1.0509 0.3427 -0.0166 -0.0451 0.0927  101 VAL B C     
2184 O O     . VAL B 103 ? 0.2981 1.0640 0.3448 -0.0204 -0.0439 0.0963  101 VAL B O     
2185 C CB    . VAL B 103 ? 0.3617 1.1071 0.4140 -0.0212 -0.0513 0.0849  101 VAL B CB    
2186 C CG1   . VAL B 103 ? 0.3125 1.0650 0.3641 -0.0270 -0.0523 0.0873  101 VAL B CG1   
2187 C CG2   . VAL B 103 ? 0.3318 1.0845 0.3824 -0.0193 -0.0467 0.0860  101 VAL B CG2   
2188 N N     . LEU B 104 ? 0.2929 1.0504 0.3409 -0.0115 -0.0430 0.0932  102 LEU B N     
2189 C CA    . LEU B 104 ? 0.3088 1.0784 0.3545 -0.0092 -0.0393 0.0968  102 LEU B CA    
2190 C C     . LEU B 104 ? 0.3508 1.1257 0.3960 -0.0111 -0.0375 0.0980  102 LEU B C     
2191 O O     . LEU B 104 ? 0.3433 1.1118 0.3904 -0.0103 -0.0389 0.0966  102 LEU B O     
2192 C CB    . LEU B 104 ? 0.2949 1.0610 0.3420 -0.0014 -0.0406 0.0960  102 LEU B CB    
2193 C CG    . LEU B 104 ? 0.3170 1.0966 0.3625 0.0024  -0.0381 0.0985  102 LEU B CG    
2194 C CD1   . LEU B 104 ? 0.3450 1.1369 0.3876 0.0014  -0.0353 0.1001  102 LEU B CD1   
2195 C CD2   . LEU B 104 ? 0.3551 1.1287 0.4036 0.0109  -0.0420 0.0966  102 LEU B CD2   
2196 N N     . ALA B 105 ? 0.3378 1.1256 0.3806 -0.0141 -0.0345 0.1009  103 ALA B N     
2197 C CA    . ALA B 105 ? 0.2966 1.0914 0.3382 -0.0168 -0.0328 0.1022  103 ALA B CA    
2198 C C     . ALA B 105 ? 0.3076 1.1128 0.3484 -0.0133 -0.0307 0.1055  103 ALA B C     
2199 O O     . ALA B 105 ? 0.3156 1.1311 0.3550 -0.0128 -0.0288 0.1073  103 ALA B O     
2200 C CB    . ALA B 105 ? 0.2976 1.0978 0.3382 -0.0233 -0.0329 0.1020  103 ALA B CB    
2201 N N     . ILE B 106 ? 0.3707 1.1747 0.4128 -0.0114 -0.0315 0.1066  104 ILE B N     
2202 C CA    . ILE B 106 ? 0.3501 1.1613 0.3932 -0.0073 -0.0318 0.1094  104 ILE B CA    
2203 C C     . ILE B 106 ? 0.3789 1.1980 0.4210 -0.0110 -0.0305 0.1120  104 ILE B C     
2204 O O     . ILE B 106 ? 0.3847 1.2011 0.4264 -0.0147 -0.0304 0.1117  104 ILE B O     
2205 C CB    . ILE B 106 ? 0.3588 1.1598 0.4064 -0.0012 -0.0366 0.1093  104 ILE B CB    
2206 C CG1   . ILE B 106 ? 0.3762 1.1671 0.4248 0.0016  -0.0383 0.1058  104 ILE B CG1   
2207 C CG2   . ILE B 106 ? 0.3940 1.2007 0.4438 0.0049  -0.0392 0.1107  104 ILE B CG2   
2208 C CD1   . ILE B 106 ? 0.4552 1.2353 0.5088 0.0082  -0.0445 0.1048  104 ILE B CD1   
2209 N N     . ASN B 107 ? 0.3719 1.2023 0.4135 -0.0094 -0.0296 0.1142  105 ASN B N     
2210 C CA    . ASN B 107 ? 0.3108 1.1507 0.3515 -0.0121 -0.0287 0.1169  105 ASN B CA    
2211 C C     . ASN B 107 ? 0.3307 1.1740 0.3748 -0.0061 -0.0319 0.1193  105 ASN B C     
2212 O O     . ASN B 107 ? 0.3252 1.1795 0.3686 -0.0043 -0.0310 0.1196  105 ASN B O     
2213 C CB    . ASN B 107 ? 0.3093 1.1601 0.3465 -0.0169 -0.0255 0.1163  105 ASN B CB    
2214 C CG    . ASN B 107 ? 0.3123 1.1738 0.3486 -0.0195 -0.0248 0.1184  105 ASN B CG    
2215 O OD1   . ASN B 107 ? 0.3153 1.1792 0.3535 -0.0169 -0.0264 0.1212  105 ASN B OD1   
2216 N ND2   . ASN B 107 ? 0.3128 1.1806 0.3469 -0.0247 -0.0235 0.1170  105 ASN B ND2   
2217 N N     . THR B 108 ? 0.3873 1.2212 0.4357 -0.0031 -0.0370 0.1209  106 THR B N     
2218 C CA    . THR B 108 ? 0.4571 1.2916 0.5100 0.0028  -0.0429 0.1229  106 THR B CA    
2219 C C     . THR B 108 ? 0.5557 1.3853 0.6120 0.0002  -0.0476 0.1280  106 THR B C     
2220 O O     . THR B 108 ? 0.5356 1.3606 0.5914 -0.0049 -0.0463 0.1293  106 THR B O     
2221 C CB    . THR B 108 ? 0.4927 1.3191 0.5493 0.0115  -0.0483 0.1196  106 THR B CB    
2222 O OG1   . THR B 108 ? 0.5059 1.3373 0.5656 0.0185  -0.0536 0.1195  106 THR B OG1   
2223 C CG2   . THR B 108 ? 0.5543 1.3643 0.6157 0.0126  -0.0551 0.1205  106 THR B CG2   
2224 N N     . SER B 109 ? 0.6951 1.5268 0.7551 0.0036  -0.0537 0.1311  107 SER B N     
2225 C CA    . SER B 109 ? 0.7003 1.5291 0.7636 0.0000  -0.0590 0.1376  107 SER B CA    
2226 C C     . SER B 109 ? 0.7017 1.5154 0.7694 -0.0002 -0.0651 0.1391  107 SER B C     
2227 O O     . SER B 109 ? 0.7007 1.5148 0.7686 -0.0069 -0.0644 0.1438  107 SER B O     
2228 C CB    . SER B 109 ? 0.7112 1.5416 0.7783 0.0046  -0.0674 0.1405  107 SER B CB    
2229 O OG    . SER B 109 ? 0.7207 1.5354 0.7942 0.0109  -0.0799 0.1411  107 SER B OG    
2230 N N     . LYS B 110 ? 0.6338 1.4355 0.7051 0.0073  -0.0713 0.1350  108 LYS B N     
2231 C CA    . LYS B 110 ? 0.6465 1.4330 0.7224 0.0073  -0.0777 0.1356  108 LYS B CA    
2232 C C     . LYS B 110 ? 0.6119 1.4000 0.6840 0.0008  -0.0689 0.1344  108 LYS B C     
2233 O O     . LYS B 110 ? 0.6122 1.3962 0.6868 -0.0043 -0.0710 0.1383  108 LYS B O     
2234 C CB    . LYS B 110 ? 0.6726 1.4468 0.7519 0.0175  -0.0855 0.1296  108 LYS B CB    
2235 C CG    . LYS B 110 ? 0.7086 1.4641 0.7947 0.0193  -0.0977 0.1309  108 LYS B CG    
2236 C CD    . LYS B 110 ? 0.7680 1.5117 0.8573 0.0312  -0.1076 0.1241  108 LYS B CD    
2237 C CE    . LYS B 110 ? 0.8351 1.5577 0.9319 0.0343  -0.1246 0.1258  108 LYS B CE    
2238 N NZ    . LYS B 110 ? 0.8770 1.5883 0.9765 0.0477  -0.1373 0.1188  108 LYS B NZ    
2239 N N     . PHE B 111 ? 0.5806 1.3749 0.6469 0.0008  -0.0600 0.1290  109 PHE B N     
2240 C CA    . PHE B 111 ? 0.5684 1.3615 0.6312 -0.0035 -0.0537 0.1260  109 PHE B CA    
2241 C C     . PHE B 111 ? 0.5151 1.3218 0.5711 -0.0088 -0.0451 0.1253  109 PHE B C     
2242 O O     . PHE B 111 ? 0.4599 1.2707 0.5118 -0.0081 -0.0407 0.1214  109 PHE B O     
2243 C CB    . PHE B 111 ? 0.6087 1.3935 0.6714 0.0019  -0.0540 0.1200  109 PHE B CB    
2244 C CG    . PHE B 111 ? 0.6374 1.4088 0.7066 0.0086  -0.0638 0.1192  109 PHE B CG    
2245 C CD1   . PHE B 111 ? 0.6163 1.3755 0.6902 0.0072  -0.0692 0.1203  109 PHE B CD1   
2246 C CD2   . PHE B 111 ? 0.6523 1.4236 0.7234 0.0168  -0.0688 0.1172  109 PHE B CD2   
2247 C CE1   . PHE B 111 ? 0.6432 1.3886 0.7236 0.0135  -0.0802 0.1193  109 PHE B CE1   
2248 C CE2   . PHE B 111 ? 0.7171 1.4747 0.7941 0.0242  -0.0799 0.1153  109 PHE B CE2   
2249 C CZ    . PHE B 111 ? 0.7292 1.4727 0.8110 0.0223  -0.0862 0.1165  109 PHE B CZ    
2250 N N     . PRO B 112 ? 0.5141 1.3284 0.5689 -0.0143 -0.0435 0.1293  110 PRO B N     
2251 C CA    . PRO B 112 ? 0.4564 1.2839 0.5052 -0.0184 -0.0372 0.1282  110 PRO B CA    
2252 C C     . PRO B 112 ? 0.3888 1.2163 0.4336 -0.0215 -0.0330 0.1230  110 PRO B C     
2253 O O     . PRO B 112 ? 0.4405 1.2666 0.4858 -0.0240 -0.0334 0.1234  110 PRO B O     
2254 C CB    . PRO B 112 ? 0.4903 1.3269 0.5401 -0.0221 -0.0384 0.1347  110 PRO B CB    
2255 C CG    . PRO B 112 ? 0.4891 1.3157 0.5461 -0.0201 -0.0466 0.1400  110 PRO B CG    
2256 C CD    . PRO B 112 ? 0.5447 1.3575 0.6039 -0.0169 -0.0486 0.1358  110 PRO B CD    
2257 N N     . ASN B 113 ? 0.3827 1.2121 0.4240 -0.0217 -0.0301 0.1183  111 ASN B N     
2258 C CA    . ASN B 113 ? 0.4097 1.2375 0.4485 -0.0242 -0.0284 0.1126  111 ASN B CA    
2259 C C     . ASN B 113 ? 0.4400 1.2546 0.4812 -0.0225 -0.0306 0.1098  111 ASN B C     
2260 O O     . ASN B 113 ? 0.4216 1.2350 0.4628 -0.0240 -0.0308 0.1067  111 ASN B O     
2261 C CB    . ASN B 113 ? 0.3404 1.1790 0.3768 -0.0278 -0.0266 0.1122  111 ASN B CB    
2262 C CG    . ASN B 113 ? 0.3650 1.2129 0.3983 -0.0299 -0.0250 0.1087  111 ASN B CG    
2263 O OD1   . ASN B 113 ? 0.3416 1.1883 0.3744 -0.0308 -0.0257 0.1022  111 ASN B OD1   
2264 N ND2   . ASN B 113 ? 0.3928 1.2496 0.4254 -0.0302 -0.0241 0.1126  111 ASN B ND2   
2265 N N     . MET B 114 ? 0.4597 1.2656 0.5034 -0.0187 -0.0326 0.1101  112 MET B N     
2266 C CA    . MET B 114 ? 0.4141 1.2072 0.4608 -0.0165 -0.0354 0.1075  112 MET B CA    
2267 C C     . MET B 114 ? 0.4116 1.1995 0.4570 -0.0167 -0.0350 0.1023  112 MET B C     
2268 O O     . MET B 114 ? 0.4119 1.2032 0.4555 -0.0166 -0.0338 0.1024  112 MET B O     
2269 C CB    . MET B 114 ? 0.4159 1.2014 0.4669 -0.0114 -0.0394 0.1100  112 MET B CB    
2270 C CG    . MET B 114 ? 0.5762 1.3562 0.6319 -0.0119 -0.0435 0.1129  112 MET B CG    
2271 S SD    . MET B 114 ? 0.8275 1.5968 0.8906 -0.0062 -0.0519 0.1160  112 MET B SD    
2272 C CE    . MET B 114 ? 0.6347 1.4089 0.7015 -0.0117 -0.0550 0.1238  112 MET B CE    
2273 N N     . TYR B 115 ? 0.4009 1.1816 0.4476 -0.0174 -0.0367 0.0981  113 TYR B N     
2274 C CA    . TYR B 115 ? 0.3860 1.1593 0.4333 -0.0176 -0.0384 0.0932  113 TYR B CA    
2275 C C     . TYR B 115 ? 0.3734 1.1343 0.4243 -0.0145 -0.0418 0.0911  113 TYR B C     
2276 O O     . TYR B 115 ? 0.4172 1.1767 0.4702 -0.0146 -0.0429 0.0903  113 TYR B O     
2277 C CB    . TYR B 115 ? 0.3568 1.1335 0.4033 -0.0209 -0.0390 0.0883  113 TYR B CB    
2278 C CG    . TYR B 115 ? 0.3785 1.1670 0.4221 -0.0239 -0.0367 0.0902  113 TYR B CG    
2279 C CD1   . TYR B 115 ? 0.3778 1.1772 0.4193 -0.0246 -0.0337 0.0934  113 TYR B CD1   
2280 C CD2   . TYR B 115 ? 0.3717 1.1608 0.4153 -0.0264 -0.0380 0.0896  113 TYR B CD2   
2281 C CE1   . TYR B 115 ? 0.3622 1.1722 0.4013 -0.0270 -0.0320 0.0949  113 TYR B CE1   
2282 C CE2   . TYR B 115 ? 0.3395 1.1394 0.3812 -0.0294 -0.0366 0.0914  113 TYR B CE2   
2283 C CZ    . TYR B 115 ? 0.3215 1.1315 0.3608 -0.0292 -0.0334 0.0936  113 TYR B CZ    
2284 O OH    . TYR B 115 ? 0.3116 1.1322 0.3494 -0.0318 -0.0325 0.0949  113 TYR B OH    
2285 N N     . ILE B 116 ? 0.3839 1.1374 0.4357 -0.0119 -0.0435 0.0905  114 ILE B N     
2286 C CA    . ILE B 116 ? 0.3995 1.1413 0.4550 -0.0080 -0.0472 0.0889  114 ILE B CA    
2287 C C     . ILE B 116 ? 0.4032 1.1366 0.4594 -0.0078 -0.0499 0.0848  114 ILE B C     
2288 O O     . ILE B 116 ? 0.4124 1.1478 0.4666 -0.0076 -0.0492 0.0861  114 ILE B O     
2289 C CB    . ILE B 116 ? 0.3788 1.1194 0.4354 -0.0032 -0.0482 0.0920  114 ILE B CB    
2290 C CG1   . ILE B 116 ? 0.4157 1.1603 0.4742 -0.0031 -0.0488 0.0962  114 ILE B CG1   
2291 C CG2   . ILE B 116 ? 0.4685 1.1965 0.5286 0.0013  -0.0530 0.0892  114 ILE B CG2   
2292 C CD1   . ILE B 116 ? 0.4557 1.1939 0.5182 0.0027  -0.0537 0.0976  114 ILE B CD1   
2293 N N     . PRO B 117 ? 0.4306 1.1553 0.4900 -0.0076 -0.0535 0.0801  115 PRO B N     
2294 C CA    . PRO B 117 ? 0.4415 1.1568 0.5022 -0.0071 -0.0575 0.0766  115 PRO B CA    
2295 C C     . PRO B 117 ? 0.4917 1.1998 0.5533 -0.0023 -0.0594 0.0775  115 PRO B C     
2296 O O     . PRO B 117 ? 0.4927 1.1944 0.5577 0.0009  -0.0618 0.0765  115 PRO B O     
2297 C CB    . PRO B 117 ? 0.3896 1.0990 0.4543 -0.0072 -0.0614 0.0706  115 PRO B CB    
2298 C CG    . PRO B 117 ? 0.3627 1.0812 0.4273 -0.0084 -0.0582 0.0713  115 PRO B CG    
2299 C CD    . PRO B 117 ? 0.4204 1.1442 0.4828 -0.0078 -0.0547 0.0780  115 PRO B CD    
2300 N N     . VAL B 118 ? 0.4872 1.1983 0.5460 -0.0018 -0.0584 0.0798  116 VAL B N     
2301 C CA    . VAL B 118 ? 0.5133 1.2202 0.5721 0.0036  -0.0602 0.0799  116 VAL B CA    
2302 C C     . VAL B 118 ? 0.4841 1.1794 0.5445 0.0047  -0.0655 0.0764  116 VAL B C     
2303 O O     . VAL B 118 ? 0.5265 1.2147 0.5881 0.0101  -0.0686 0.0748  116 VAL B O     
2304 C CB    . VAL B 118 ? 0.4997 1.2194 0.5544 0.0046  -0.0561 0.0838  116 VAL B CB    
2305 C CG1   . VAL B 118 ? 0.4907 1.2171 0.5453 0.0083  -0.0539 0.0857  116 VAL B CG1   
2306 C CG2   . VAL B 118 ? 0.4341 1.1632 0.4862 -0.0023 -0.0535 0.0867  116 VAL B CG2   
2307 N N     . GLY B 119 ? 0.4348 1.1274 0.4954 0.0001  -0.0678 0.0753  117 GLY B N     
2308 C CA    . GLY B 119 ? 0.4536 1.1341 0.5158 0.0012  -0.0743 0.0722  117 GLY B CA    
2309 C C     . GLY B 119 ? 0.4625 1.1466 0.5213 -0.0010 -0.0752 0.0759  117 GLY B C     
2310 O O     . GLY B 119 ? 0.5005 1.1954 0.5571 -0.0062 -0.0724 0.0803  117 GLY B O     
2311 N N     . GLN B 120 ? 0.5106 1.1872 0.5690 0.0025  -0.0794 0.0748  118 GLN B N     
2312 C CA    . GLN B 120 ? 0.5250 1.2069 0.5796 -0.0004 -0.0805 0.0793  118 GLN B CA    
2313 C C     . GLN B 120 ? 0.5154 1.2160 0.5660 0.0015  -0.0730 0.0840  118 GLN B C     
2314 O O     . GLN B 120 ? 0.5340 1.2365 0.5843 0.0087  -0.0704 0.0818  118 GLN B O     
2315 C CB    . GLN B 120 ? 0.5211 1.1900 0.5755 0.0029  -0.0877 0.0768  118 GLN B CB    
2316 C CG    . GLN B 120 ? 0.5280 1.2050 0.5775 0.0002  -0.0886 0.0826  118 GLN B CG    
2317 C CD    . GLN B 120 ? 0.5363 1.2054 0.5859 -0.0069 -0.0973 0.0847  118 GLN B CD    
2318 O OE1   . GLN B 120 ? 0.5387 1.1883 0.5911 -0.0054 -0.1057 0.0792  118 GLN B OE1   
2319 N NE2   . GLN B 120 ? 0.5425 1.2277 0.5890 -0.0150 -0.0962 0.0932  118 GLN B NE2   
2320 N N     . VAL B 121 ? 0.4874 1.2019 0.5355 -0.0048 -0.0705 0.0902  119 VAL B N     
2321 C CA    . VAL B 121 ? 0.5076 1.2435 0.5522 -0.0033 -0.0634 0.0947  119 VAL B CA    
2322 C C     . VAL B 121 ? 0.4444 1.1928 0.4857 -0.0054 -0.0644 0.0998  119 VAL B C     
2323 O O     . VAL B 121 ? 0.4456 1.1917 0.4872 -0.0137 -0.0695 0.1040  119 VAL B O     
2324 C CB    . VAL B 121 ? 0.4740 1.2242 0.5183 -0.0096 -0.0582 0.0991  119 VAL B CB    
2325 C CG1   . VAL B 121 ? 0.4047 1.1836 0.4456 -0.0127 -0.0523 0.1067  119 VAL B CG1   
2326 C CG2   . VAL B 121 ? 0.3726 1.1226 0.4177 -0.0046 -0.0543 0.0957  119 VAL B CG2   
2327 N N     . THR B 122 ? 0.4372 1.1984 0.4755 0.0023  -0.0609 0.0992  120 THR B N     
2328 C CA    . THR B 122 ? 0.4422 1.2198 0.4769 0.0014  -0.0609 0.1041  120 THR B CA    
2329 C C     . THR B 122 ? 0.4082 1.2197 0.4399 0.0033  -0.0521 0.1086  120 THR B C     
2330 O O     . THR B 122 ? 0.3955 1.2121 0.4269 0.0121  -0.0480 0.1037  120 THR B O     
2331 C CB    . THR B 122 ? 0.3930 1.1569 0.4260 0.0109  -0.0660 0.0979  120 THR B CB    
2332 O OG1   . THR B 122 ? 0.3588 1.1176 0.3924 0.0223  -0.0645 0.0905  120 THR B OG1   
2333 C CG2   . THR B 122 ? 0.4188 1.1531 0.4542 0.0083  -0.0756 0.0945  120 THR B CG2   
2334 N N     . GLU B 123 ? 0.3710 1.2069 0.4010 -0.0047 -0.0501 0.1178  121 GLU B N     
2335 C CA    . GLU B 123 ? 0.3720 1.2452 0.3993 -0.0019 -0.0417 0.1219  121 GLU B CA    
2336 C C     . GLU B 123 ? 0.3733 1.2482 0.3979 0.0145  -0.0407 0.1127  121 GLU B C     
2337 O O     . GLU B 123 ? 0.4248 1.2781 0.4486 0.0206  -0.0470 0.1069  121 GLU B O     
2338 C CB    . GLU B 123 ? 0.4430 1.3413 0.4693 -0.0129 -0.0415 0.1336  121 GLU B CB    
2339 C CG    . GLU B 123 ? 0.4949 1.4047 0.5234 -0.0296 -0.0412 0.1450  121 GLU B CG    
2340 C CD    . GLU B 123 ? 0.5769 1.5292 0.6048 -0.0394 -0.0365 0.1584  121 GLU B CD    
2341 O OE1   . GLU B 123 ? 0.5377 1.5235 0.5641 -0.0316 -0.0280 0.1580  121 GLU B OE1   
2342 O OE2   . GLU B 123 ? 0.6144 1.5671 0.6437 -0.0553 -0.0421 0.1694  121 GLU B OE2   
2343 N N     . TYR B 124 ? 0.3477 1.2478 0.3705 0.0222  -0.0338 0.1108  122 TYR B N     
2344 C CA    . TYR B 124 ? 0.3515 1.2523 0.3715 0.0391  -0.0344 0.1008  122 TYR B CA    
2345 C C     . TYR B 124 ? 0.3586 1.3024 0.3752 0.0463  -0.0266 0.1015  122 TYR B C     
2346 O O     . TYR B 124 ? 0.3658 1.3167 0.3789 0.0596  -0.0277 0.0944  122 TYR B O     
2347 C CB    . TYR B 124 ? 0.3460 1.2204 0.3682 0.0465  -0.0378 0.0922  122 TYR B CB    
2348 C CG    . TYR B 124 ? 0.3512 1.2150 0.3718 0.0629  -0.0426 0.0812  122 TYR B CG    
2349 C CD1   . TYR B 124 ? 0.3570 1.2410 0.3752 0.0743  -0.0397 0.0763  122 TYR B CD1   
2350 C CD2   . TYR B 124 ? 0.3514 1.1830 0.3734 0.0671  -0.0514 0.0754  122 TYR B CD2   
2351 C CE1   . TYR B 124 ? 0.3642 1.2355 0.3815 0.0897  -0.0465 0.0658  122 TYR B CE1   
2352 C CE2   . TYR B 124 ? 0.3579 1.1774 0.3792 0.0813  -0.0577 0.0658  122 TYR B CE2   
2353 C CZ    . TYR B 124 ? 0.3648 1.2033 0.3838 0.0926  -0.0558 0.0609  122 TYR B CZ    
2354 O OH    . TYR B 124 ? 0.3739 1.1979 0.3925 0.1069  -0.0643 0.0510  122 TYR B OH    
2355 N N     . GLY B 125 ? 0.3580 1.3313 0.3751 0.0388  -0.0191 0.1089  123 GLY B N     
2356 C CA    . GLY B 125 ? 0.3657 1.3855 0.3797 0.0449  -0.0111 0.1104  123 GLY B CA    
2357 C C     . GLY B 125 ? 0.3700 1.3962 0.3806 0.0634  -0.0102 0.0983  123 GLY B C     
2358 O O     . GLY B 125 ? 0.3663 1.3793 0.3776 0.0653  -0.0111 0.0948  123 GLY B O     
2359 N N     . PHE B 126 ? 0.4130 1.1728 0.4112 0.1911  -0.0245 0.0587  124 PHE B N     
2360 C CA    . PHE B 126 ? 0.4288 1.1920 0.4246 0.1992  -0.0249 0.0562  124 PHE B CA    
2361 C C     . PHE B 126 ? 0.4084 1.1574 0.4057 0.2015  -0.0293 0.0534  124 PHE B C     
2362 O O     . PHE B 126 ? 0.4297 1.1679 0.4279 0.1987  -0.0314 0.0519  124 PHE B O     
2363 C CB    . PHE B 126 ? 0.3841 1.1573 0.3752 0.2062  -0.0236 0.0534  124 PHE B CB    
2364 C CG    . PHE B 126 ? 0.3812 1.1598 0.3701 0.2161  -0.0249 0.0493  124 PHE B CG    
2365 C CD1   . PHE B 126 ? 0.3865 1.1539 0.3756 0.2223  -0.0298 0.0442  124 PHE B CD1   
2366 C CD2   . PHE B 126 ? 0.3853 1.1809 0.3728 0.2194  -0.0221 0.0504  124 PHE B CD2   
2367 C CE1   . PHE B 126 ? 0.3964 1.1678 0.3851 0.2324  -0.0327 0.0398  124 PHE B CE1   
2368 C CE2   . PHE B 126 ? 0.3949 1.1954 0.3810 0.2297  -0.0243 0.0456  124 PHE B CE2   
2369 C CZ    . PHE B 126 ? 0.4008 1.1885 0.3878 0.2365  -0.0300 0.0401  124 PHE B CZ    
2370 N N     . LEU B 127 ? 0.3914 1.1413 0.3897 0.2068  -0.0313 0.0531  125 LEU B N     
2371 C CA    . LEU B 127 ? 0.4226 1.1608 0.4238 0.2093  -0.0367 0.0521  125 LEU B CA    
2372 C C     . LEU B 127 ? 0.4638 1.2055 0.4662 0.2182  -0.0399 0.0512  125 LEU B C     
2373 O O     . LEU B 127 ? 0.4638 1.2156 0.4663 0.2192  -0.0376 0.0533  125 LEU B O     
2374 C CB    . LEU B 127 ? 0.4441 1.1768 0.4489 0.2012  -0.0373 0.0560  125 LEU B CB    
2375 C CG    . LEU B 127 ? 0.4837 1.2062 0.4921 0.1998  -0.0425 0.0572  125 LEU B CG    
2376 C CD1   . LEU B 127 ? 0.4646 1.1889 0.4750 0.1914  -0.0408 0.0608  125 LEU B CD1   
2377 C CD2   . LEU B 127 ? 0.4747 1.1947 0.4861 0.2071  -0.0483 0.0584  125 LEU B CD2   
2378 N N     . ASN B 128 ? 0.5318 1.2653 0.5360 0.2248  -0.0461 0.0480  126 ASN B N     
2379 C CA    . ASN B 128 ? 0.5435 1.2781 0.5508 0.2346  -0.0513 0.0468  126 ASN B CA    
2380 C C     . ASN B 128 ? 0.6251 1.3514 0.6384 0.2313  -0.0562 0.0531  126 ASN B C     
2381 O O     . ASN B 128 ? 0.6569 1.3721 0.6737 0.2302  -0.0622 0.0542  126 ASN B O     
2382 C CB    . ASN B 128 ? 0.5924 1.3230 0.5999 0.2446  -0.0572 0.0398  126 ASN B CB    
2383 C CG    . ASN B 128 ? 0.6371 1.3678 0.6494 0.2560  -0.0641 0.0379  126 ASN B CG    
2384 O OD1   . ASN B 128 ? 0.6540 1.3749 0.6733 0.2565  -0.0713 0.0424  126 ASN B OD1   
2385 N ND2   . ASN B 128 ? 0.6598 1.4031 0.6690 0.2654  -0.0625 0.0314  126 ASN B ND2   
2386 N N     . LEU B 129 ? 0.6749 1.4083 0.6895 0.2289  -0.0538 0.0576  127 LEU B N     
2387 C CA    . LEU B 129 ? 0.6288 1.3580 0.6482 0.2242  -0.0572 0.0646  127 LEU B CA    
2388 C C     . LEU B 129 ? 0.6997 1.4264 0.7247 0.2338  -0.0653 0.0663  127 LEU B C     
2389 O O     . LEU B 129 ? 0.7275 1.4632 0.7530 0.2388  -0.0643 0.0663  127 LEU B O     
2390 C CB    . LEU B 129 ? 0.5542 1.2933 0.5720 0.2163  -0.0507 0.0682  127 LEU B CB    
2391 C CG    . LEU B 129 ? 0.5707 1.3075 0.5915 0.2085  -0.0523 0.0745  127 LEU B CG    
2392 C CD1   . LEU B 129 ? 0.6250 1.3503 0.6489 0.2081  -0.0591 0.0764  127 LEU B CD1   
2393 C CD2   . LEU B 129 ? 0.4740 1.2162 0.4921 0.1985  -0.0456 0.0743  127 LEU B CD2   
2394 N N     . GLY B 130 ? 0.9287 1.6435 0.9584 0.2366  -0.0742 0.0679  128 GLY B N     
2395 C CA    . GLY B 130 ? 0.9450 1.6547 0.9818 0.2466  -0.0844 0.0699  128 GLY B CA    
2396 C C     . GLY B 130 ? 0.9538 1.6703 0.9906 0.2592  -0.0847 0.0626  128 GLY B C     
2397 O O     . GLY B 130 ? 0.9630 1.6831 1.0042 0.2654  -0.0883 0.0650  128 GLY B O     
2398 N N     . GLY B 131 ? 0.7688 1.4892 0.8006 0.2631  -0.0808 0.0536  129 GLY B N     
2399 C CA    . GLY B 131 ? 0.7528 1.4835 0.7835 0.2751  -0.0804 0.0456  129 GLY B CA    
2400 C C     . GLY B 131 ? 0.6839 1.4330 0.7078 0.2723  -0.0698 0.0444  129 GLY B C     
2401 O O     . GLY B 131 ? 0.6907 1.4520 0.7131 0.2821  -0.0690 0.0379  129 GLY B O     
2402 N N     . THR B 132 ? 0.6722 1.4247 0.6926 0.2598  -0.0624 0.0503  130 THR B N     
2403 C CA    . THR B 132 ? 0.6037 1.3733 0.6187 0.2559  -0.0534 0.0505  130 THR B CA    
2404 C C     . THR B 132 ? 0.5684 1.3395 0.5773 0.2462  -0.0462 0.0504  130 THR B C     
2405 O O     . THR B 132 ? 0.6032 1.3631 0.6129 0.2379  -0.0464 0.0536  130 THR B O     
2406 C CB    . THR B 132 ? 0.6168 1.3911 0.6347 0.2507  -0.0521 0.0574  130 THR B CB    
2407 O OG1   . THR B 132 ? 0.6571 1.4236 0.6825 0.2573  -0.0609 0.0602  130 THR B OG1   
2408 C CG2   . THR B 132 ? 0.6002 1.3949 0.6150 0.2522  -0.0461 0.0561  130 THR B CG2   
2409 N N     . PRO B 133 ? 0.5459 1.3315 0.5489 0.2472  -0.0404 0.0470  131 PRO B N     
2410 C CA    . PRO B 133 ? 0.4870 1.2749 0.4857 0.2377  -0.0343 0.0487  131 PRO B CA    
2411 C C     . PRO B 133 ? 0.4375 1.2296 0.4375 0.2271  -0.0301 0.0552  131 PRO B C     
2412 O O     . PRO B 133 ? 0.4559 1.2614 0.4562 0.2274  -0.0278 0.0572  131 PRO B O     
2413 C CB    . PRO B 133 ? 0.4942 1.3000 0.4871 0.2432  -0.0304 0.0443  131 PRO B CB    
2414 C CG    . PRO B 133 ? 0.5489 1.3618 0.5426 0.2563  -0.0344 0.0386  131 PRO B CG    
2415 C CD    . PRO B 133 ? 0.5891 1.3840 0.5899 0.2596  -0.0422 0.0393  131 PRO B CD    
2416 N N     . THR B 134 ? 0.4099 1.1914 0.4107 0.2180  -0.0294 0.0577  132 THR B N     
2417 C CA    . THR B 134 ? 0.3979 1.1812 0.4007 0.2082  -0.0268 0.0623  132 THR B CA    
2418 C C     . THR B 134 ? 0.3716 1.1557 0.3729 0.2010  -0.0236 0.0629  132 THR B C     
2419 O O     . THR B 134 ? 0.3871 1.1625 0.3871 0.2012  -0.0246 0.0606  132 THR B O     
2420 C CB    . THR B 134 ? 0.4257 1.1959 0.4323 0.2043  -0.0305 0.0644  132 THR B CB    
2421 O OG1   . THR B 134 ? 0.4505 1.2163 0.4597 0.2119  -0.0357 0.0644  132 THR B OG1   
2422 C CG2   . THR B 134 ? 0.3710 1.1467 0.3798 0.1962  -0.0284 0.0681  132 THR B CG2   
2423 N N     . LYS B 135 ? 0.3674 1.1617 0.3700 0.1945  -0.0207 0.0663  133 LYS B N     
2424 C CA    . LYS B 135 ? 0.3620 1.1567 0.3652 0.1879  -0.0193 0.0678  133 LYS B CA    
2425 C C     . LYS B 135 ? 0.3557 1.1441 0.3631 0.1795  -0.0207 0.0691  133 LYS B C     
2426 O O     . LYS B 135 ? 0.4178 1.2074 0.4270 0.1780  -0.0213 0.0698  133 LYS B O     
2427 C CB    . LYS B 135 ? 0.4192 1.2330 0.4216 0.1870  -0.0161 0.0710  133 LYS B CB    
2428 C CG    . LYS B 135 ? 0.4361 1.2528 0.4362 0.1876  -0.0150 0.0714  133 LYS B CG    
2429 C CD    . LYS B 135 ? 0.4137 1.2485 0.4158 0.1822  -0.0129 0.0775  133 LYS B CD    
2430 C CE    . LYS B 135 ? 0.3942 1.2427 0.3917 0.1869  -0.0103 0.0779  133 LYS B CE    
2431 N NZ    . LYS B 135 ? 0.3847 1.2534 0.3847 0.1811  -0.0084 0.0857  133 LYS B NZ    
2432 N N     . ARG B 136 ? 0.3878 1.1703 0.3969 0.1748  -0.0218 0.0690  134 ARG B N     
2433 C CA    . ARG B 136 ? 0.3625 1.1399 0.3761 0.1676  -0.0240 0.0687  134 ARG B CA    
2434 C C     . ARG B 136 ? 0.3574 1.1230 0.3710 0.1671  -0.0259 0.0654  134 ARG B C     
2435 O O     . ARG B 136 ? 0.3516 1.1176 0.3682 0.1623  -0.0272 0.0644  134 ARG B O     
2436 C CB    . ARG B 136 ? 0.3467 1.1364 0.3641 0.1628  -0.0237 0.0714  134 ARG B CB    
2437 C CG    . ARG B 136 ? 0.3545 1.1606 0.3718 0.1634  -0.0214 0.0756  134 ARG B CG    
2438 C CD    . ARG B 136 ? 0.4489 1.2631 0.4724 0.1561  -0.0234 0.0793  134 ARG B CD    
2439 N NE    . ARG B 136 ? 0.4454 1.2793 0.4701 0.1548  -0.0213 0.0839  134 ARG B NE    
2440 C CZ    . ARG B 136 ? 0.4453 1.2906 0.4765 0.1479  -0.0234 0.0885  134 ARG B CZ    
2441 N NH1   . ARG B 136 ? 0.4615 1.2994 0.4996 0.1424  -0.0286 0.0888  134 ARG B NH1   
2442 N NH2   . ARG B 136 ? 0.4665 1.3320 0.4983 0.1468  -0.0210 0.0930  134 ARG B NH2   
2443 N N     . MET B 137 ? 0.3462 1.1029 0.3569 0.1716  -0.0265 0.0635  135 MET B N     
2444 C CA    . MET B 137 ? 0.3589 1.1072 0.3704 0.1699  -0.0285 0.0615  135 MET B CA    
2445 C C     . MET B 137 ? 0.3752 1.1176 0.3888 0.1653  -0.0302 0.0586  135 MET B C     
2446 O O     . MET B 137 ? 0.3598 1.0996 0.3737 0.1654  -0.0308 0.0581  135 MET B O     
2447 C CB    . MET B 137 ? 0.3607 1.1016 0.3702 0.1754  -0.0301 0.0606  135 MET B CB    
2448 C CG    . MET B 137 ? 0.3730 1.1188 0.3816 0.1813  -0.0301 0.0625  135 MET B CG    
2449 S SD    . MET B 137 ? 0.3964 1.1493 0.4076 0.1775  -0.0299 0.0659  135 MET B SD    
2450 C CE    . MET B 137 ? 0.3613 1.1096 0.3736 0.1838  -0.0341 0.0681  135 MET B CE    
2451 N N     . LEU B 138 ? 0.3909 1.1328 0.4063 0.1617  -0.0313 0.0568  136 LEU B N     
2452 C CA    . LEU B 138 ? 0.3896 1.1269 0.4070 0.1584  -0.0334 0.0526  136 LEU B CA    
2453 C C     . LEU B 138 ? 0.4373 1.1701 0.4533 0.1590  -0.0342 0.0514  136 LEU B C     
2454 O O     . LEU B 138 ? 0.4453 1.1814 0.4605 0.1597  -0.0337 0.0542  136 LEU B O     
2455 C CB    . LEU B 138 ? 0.3768 1.1216 0.3976 0.1536  -0.0343 0.0505  136 LEU B CB    
2456 C CG    . LEU B 138 ? 0.3733 1.1219 0.3984 0.1515  -0.0359 0.0506  136 LEU B CG    
2457 C CD1   . LEU B 138 ? 0.3626 1.1183 0.3920 0.1473  -0.0380 0.0466  136 LEU B CD1   
2458 C CD2   . LEU B 138 ? 0.3674 1.1081 0.3945 0.1523  -0.0385 0.0498  136 LEU B CD2   
2459 N N     . MET B 139 ? 0.4193 1.1457 0.4359 0.1587  -0.0359 0.0478  137 MET B N     
2460 C CA    . MET B 139 ? 0.4653 1.1889 0.4812 0.1588  -0.0371 0.0470  137 MET B CA    
2461 C C     . MET B 139 ? 0.4600 1.1863 0.4779 0.1550  -0.0382 0.0422  137 MET B C     
2462 O O     . MET B 139 ? 0.4182 1.1417 0.4380 0.1547  -0.0397 0.0379  137 MET B O     
2463 C CB    . MET B 139 ? 0.4740 1.1889 0.4882 0.1629  -0.0384 0.0467  137 MET B CB    
2464 C CG    . MET B 139 ? 0.4566 1.1700 0.4712 0.1628  -0.0405 0.0469  137 MET B CG    
2465 S SD    . MET B 139 ? 0.6383 1.3428 0.6520 0.1661  -0.0431 0.0437  137 MET B SD    
2466 C CE    . MET B 139 ? 0.4242 1.1266 0.4385 0.1648  -0.0426 0.0394  137 MET B CE    
2467 N N     . TYR B 140 ? 0.4987 1.2319 0.5166 0.1526  -0.0380 0.0432  138 TYR B N     
2468 C CA    . TYR B 140 ? 0.5185 1.2575 0.5377 0.1493  -0.0387 0.0388  138 TYR B CA    
2469 C C     . TYR B 140 ? 0.6213 1.3608 0.6404 0.1488  -0.0399 0.0419  138 TYR B C     
2470 O O     . TYR B 140 ? 0.5929 1.3298 0.6116 0.1505  -0.0408 0.0478  138 TYR B O     
2471 C CB    . TYR B 140 ? 0.4909 1.2437 0.5108 0.1456  -0.0373 0.0372  138 TYR B CB    
2472 C CG    . TYR B 140 ? 0.4822 1.2404 0.5009 0.1453  -0.0356 0.0436  138 TYR B CG    
2473 C CD1   . TYR B 140 ? 0.4932 1.2572 0.5115 0.1440  -0.0357 0.0499  138 TYR B CD1   
2474 C CD2   . TYR B 140 ? 0.4444 1.2026 0.4633 0.1461  -0.0348 0.0439  138 TYR B CD2   
2475 C CE1   . TYR B 140 ? 0.4247 1.1935 0.4426 0.1443  -0.0350 0.0560  138 TYR B CE1   
2476 C CE2   . TYR B 140 ? 0.4214 1.1854 0.4395 0.1462  -0.0335 0.0493  138 TYR B CE2   
2477 C CZ    . TYR B 140 ? 0.4267 1.1956 0.4442 0.1457  -0.0336 0.0552  138 TYR B CZ    
2478 O OH    . TYR B 140 ? 0.4058 1.1804 0.4232 0.1464  -0.0331 0.0609  138 TYR B OH    
2479 N N     . ASN B 141 ? 0.5522 2.1278 0.5609 0.0310  -0.0071 -0.1888 139 ASN B N     
2480 C CA    . ASN B 141 ? 0.5627 2.1853 0.5780 0.0084  -0.0022 -0.2029 139 ASN B CA    
2481 C C     . ASN B 141 ? 0.5620 2.2020 0.5806 -0.0023 -0.0011 -0.1978 139 ASN B C     
2482 O O     . ASN B 141 ? 0.5672 2.2248 0.5853 0.0085  -0.0023 -0.1956 139 ASN B O     
2483 C CB    . ASN B 141 ? 0.5758 2.2374 0.5946 0.0158  -0.0011 -0.2165 139 ASN B CB    
2484 C CG    . ASN B 141 ? 0.5764 2.2411 0.5997 0.0189  0.0003  -0.2265 139 ASN B CG    
2485 O OD1   . ASN B 141 ? 0.5771 2.2518 0.6050 0.0002  0.0022  -0.2354 139 ASN B OD1   
2486 N ND2   . ASN B 141 ? 0.5758 2.2347 0.5995 0.0431  -0.0013 -0.2253 139 ASN B ND2   
2487 N N     . PHE B 142 ? 0.5665 2.2011 0.5877 -0.0228 0.0020  -0.1954 140 PHE B N     
2488 C CA    . PHE B 142 ? 0.6003 2.2397 0.6321 -0.0340 0.0092  -0.1876 140 PHE B CA    
2489 C C     . PHE B 142 ? 0.6418 2.2644 0.6876 -0.0610 0.0205  -0.1876 140 PHE B C     
2490 O O     . PHE B 142 ? 0.5737 2.1715 0.6111 -0.0661 0.0185  -0.1885 140 PHE B O     
2491 C CB    . PHE B 142 ? 0.5706 2.1810 0.5947 -0.0156 0.0059  -0.1722 140 PHE B CB    
2492 C CG    . PHE B 142 ? 0.6121 2.2337 0.6454 -0.0123 0.0132  -0.1645 140 PHE B CG    
2493 C CD1   . PHE B 142 ? 0.6568 2.2602 0.7017 -0.0257 0.0274  -0.1551 140 PHE B CD1   
2494 C CD2   . PHE B 142 ? 0.5708 2.2202 0.5998 0.0050  0.0071  -0.1661 140 PHE B CD2   
2495 C CE1   . PHE B 142 ? 0.5789 2.1940 0.6326 -0.0206 0.0352  -0.1468 140 PHE B CE1   
2496 C CE2   . PHE B 142 ? 0.5791 2.2403 0.6175 0.0092  0.0140  -0.1582 140 PHE B CE2   
2497 C CZ    . PHE B 142 ? 0.5831 2.2280 0.6343 -0.0030 0.0281  -0.1483 140 PHE B CZ    
2498 N N     . PRO B 143 ? 0.8362 2.4707 0.9048 -0.0783 0.0327  -0.1857 141 PRO B N     
2499 C CA    . PRO B 143 ? 0.8394 2.4532 0.9217 -0.1038 0.0446  -0.1837 141 PRO B CA    
2500 C C     . PRO B 143 ? 0.8315 2.3968 0.9013 -0.1013 0.0508  -0.1685 141 PRO B C     
2501 O O     . PRO B 143 ? 0.8306 2.3861 0.8961 -0.0867 0.0531  -0.1569 141 PRO B O     
2502 C CB    . PRO B 143 ? 0.8544 2.4960 0.9682 -0.1180 0.0554  -0.1833 141 PRO B CB    
2503 C CG    . PRO B 143 ? 0.8561 2.5164 0.9664 -0.0967 0.0526  -0.1770 141 PRO B CG    
2504 C CD    . PRO B 143 ? 0.8473 2.5143 0.9326 -0.0749 0.0365  -0.1843 141 PRO B CD    
2505 N N     . THR B 144 ? 0.8401 2.3741 0.9041 -0.1149 0.0536  -0.1691 142 THR B N     
2506 C CA    . THR B 144 ? 0.8245 2.3079 0.8787 -0.1158 0.0616  -0.1555 142 THR B CA    
2507 C C     . THR B 144 ? 0.8552 2.3221 0.9232 -0.1430 0.0769  -0.1532 142 THR B C     
2508 O O     . THR B 144 ? 0.8700 2.3636 0.9582 -0.1622 0.0801  -0.1627 142 THR B O     
2509 C CB    . THR B 144 ? 0.7695 2.2180 0.8042 -0.1066 0.0531  -0.1545 142 THR B CB    
2510 O OG1   . THR B 144 ? 0.7705 2.2232 0.8062 -0.1241 0.0518  -0.1657 142 THR B OG1   
2511 C CG2   . THR B 144 ? 0.7586 2.2210 0.7847 -0.0789 0.0382  -0.1551 142 THR B CG2   
2512 N N     . ALA B 146 ? 1.0383 2.3614 1.0764 -0.1616 0.1000  -0.1273 144 ALA B N     
2513 C CA    . ALA B 146 ? 1.0313 2.2980 1.0499 -0.1597 0.1011  -0.1206 144 ALA B CA    
2514 C C     . ALA B 146 ? 1.0334 2.2669 1.0435 -0.1456 0.1086  -0.1065 144 ALA B C     
2515 O O     . ALA B 146 ? 1.0437 2.2939 1.0642 -0.1438 0.1171  -0.1010 144 ALA B O     
2516 C CB    . ALA B 146 ? 1.0842 2.3283 1.1051 -0.1866 0.1086  -0.1237 144 ALA B CB    
2517 N N     . GLY B 147 ? 0.9359 2.1221 0.9279 -0.1350 0.1061  -0.1008 145 GLY B N     
2518 C CA    . GLY B 147 ? 0.8070 1.9613 0.7889 -0.1185 0.1111  -0.0895 145 GLY B CA    
2519 C C     . GLY B 147 ? 0.6682 1.8361 0.6458 -0.0893 0.1004  -0.0881 145 GLY B C     
2520 O O     . GLY B 147 ? 0.6734 1.8187 0.6425 -0.0729 0.1031  -0.0803 145 GLY B O     
2521 N N     . GLN B 148 ? 0.6582 1.8633 0.6415 -0.0819 0.0882  -0.0960 146 GLN B N     
2522 C CA    . GLN B 148 ? 0.5569 1.7736 0.5373 -0.0542 0.0758  -0.0956 146 GLN B CA    
2523 C C     . GLN B 148 ? 0.5112 1.6983 0.4826 -0.0435 0.0665  -0.0960 146 GLN B C     
2524 O O     . GLN B 148 ? 0.5016 1.6960 0.4727 -0.0200 0.0561  -0.0954 146 GLN B O     
2525 C CB    . GLN B 148 ? 0.5629 1.8386 0.5557 -0.0508 0.0682  -0.1033 146 GLN B CB    
2526 C CG    . GLN B 148 ? 0.6852 1.9925 0.6914 -0.0707 0.0788  -0.1056 146 GLN B CG    
2527 C CD    . GLN B 148 ? 0.7247 2.0829 0.7430 -0.0788 0.0719  -0.1175 146 GLN B CD    
2528 O OE1   . GLN B 148 ? 0.7819 2.1473 0.8067 -0.1008 0.0750  -0.1250 146 GLN B OE1   
2529 N NE2   . GLN B 148 ? 0.6657 2.0601 0.6870 -0.0608 0.0626  -0.1201 146 GLN B NE2   
2530 N N     . ALA B 149 ? 0.5104 1.6662 0.4759 -0.0598 0.0703  -0.0967 147 ALA B N     
2531 C CA    . ALA B 149 ? 0.4994 1.6206 0.4557 -0.0490 0.0642  -0.0946 147 ALA B CA    
2532 C C     . ALA B 149 ? 0.4936 1.5839 0.4425 -0.0255 0.0623  -0.0867 147 ALA B C     
2533 O O     . ALA B 149 ? 0.4994 1.5595 0.4413 -0.0277 0.0706  -0.0811 147 ALA B O     
2534 C CB    . ALA B 149 ? 0.5028 1.5847 0.4508 -0.0701 0.0716  -0.0940 147 ALA B CB    
2535 N N     . GLY B 150 ? 0.4829 1.5803 0.4336 -0.0025 0.0515  -0.0866 148 GLY B N     
2536 C CA    . GLY B 150 ? 0.4769 1.5550 0.4238 0.0226  0.0474  -0.0813 148 GLY B CA    
2537 C C     . GLY B 150 ? 0.4739 1.5943 0.4301 0.0434  0.0384  -0.0833 148 GLY B C     
2538 O O     . GLY B 150 ? 0.4669 1.5769 0.4221 0.0676  0.0319  -0.0806 148 GLY B O     
2539 N N     . GLY B 151 ? 0.4796 1.6474 0.4449 0.0355  0.0376  -0.0884 149 GLY B N     
2540 C CA    . GLY B 151 ? 0.4778 1.6850 0.4507 0.0555  0.0289  -0.0901 149 GLY B CA    
2541 C C     . GLY B 151 ? 0.4641 1.6752 0.4411 0.0801  0.0162  -0.0903 149 GLY B C     
2542 O O     . GLY B 151 ? 0.4572 1.6573 0.4347 0.0785  0.0137  -0.0910 149 GLY B O     
2543 N N     . VAL B 152 ? 0.4281 1.0257 0.4272 0.0356  -0.0033 -0.0566 150 VAL B N     
2544 C CA    . VAL B 152 ? 0.4166 1.0045 0.4165 0.0492  -0.0046 -0.0564 150 VAL B CA    
2545 C C     . VAL B 152 ? 0.4164 1.0213 0.4186 0.0562  -0.0056 -0.0591 150 VAL B C     
2546 O O     . VAL B 152 ? 0.4210 1.0434 0.4238 0.0552  -0.0058 -0.0588 150 VAL B O     
2547 C CB    . VAL B 152 ? 0.3985 0.9718 0.3919 0.0521  -0.0038 -0.0543 150 VAL B CB    
2548 C CG1   . VAL B 152 ? 0.4212 0.9832 0.4111 0.0639  -0.0045 -0.0547 150 VAL B CG1   
2549 C CG2   . VAL B 152 ? 0.4028 0.9572 0.3891 0.0450  -0.0026 -0.0519 150 VAL B CG2   
2550 N N     . LEU B 153 ? 0.4033 1.0060 0.4039 0.0653  -0.0065 -0.0612 151 LEU B N     
2551 C CA    . LEU B 153 ? 0.3817 1.0018 0.3819 0.0751  -0.0072 -0.0642 151 LEU B CA    
2552 C C     . LEU B 153 ? 0.3781 0.9880 0.3737 0.0908  -0.0090 -0.0594 151 LEU B C     
2553 O O     . LEU B 153 ? 0.4004 0.9935 0.3909 0.0988  -0.0093 -0.0557 151 LEU B O     
2554 C CB    . LEU B 153 ? 0.3643 0.9944 0.3622 0.0801  -0.0089 -0.0709 151 LEU B CB    
2555 C CG    . LEU B 153 ? 0.3435 0.9866 0.3353 0.0912  -0.0144 -0.0765 151 LEU B CG    
2556 C CD1   . LEU B 153 ? 0.3122 0.9537 0.3006 0.1134  -0.0121 -0.0711 151 LEU B CD1   
2557 C CD2   . LEU B 153 ? 0.3734 1.0474 0.3722 0.0826  -0.0166 -0.0808 151 LEU B CD2   
2558 N N     . MET B 154 ? 0.3395 0.9636 0.3336 0.0966  -0.0101 -0.0588 152 MET B N     
2559 C CA    . MET B 154 ? 0.3657 0.9827 0.3517 0.1125  -0.0105 -0.0552 152 MET B CA    
2560 C C     . MET B 154 ? 0.3592 0.9985 0.3407 0.1252  -0.0113 -0.0549 152 MET B C     
2561 O O     . MET B 154 ? 0.3280 0.9914 0.3117 0.1189  -0.0114 -0.0571 152 MET B O     
2562 C CB    . MET B 154 ? 0.4038 1.0031 0.3867 0.1071  -0.0073 -0.0550 152 MET B CB    
2563 C CG    . MET B 154 ? 0.4048 1.0171 0.3901 0.0990  -0.0054 -0.0564 152 MET B CG    
2564 S SD    . MET B 154 ? 0.3374 0.9185 0.3096 0.0984  0.0016  -0.0584 152 MET B SD    
2565 C CE    . MET B 154 ? 0.3884 0.9693 0.3661 0.0797  0.0007  -0.0575 152 MET B CE    
2566 N N     . SER B 155 ? 0.3934 1.0244 0.3652 0.1440  -0.0097 -0.0514 153 SER B N     
2567 C CA    . SER B 155 ? 0.4072 1.0480 0.3721 0.1604  -0.0060 -0.0495 153 SER B CA    
2568 C C     . SER B 155 ? 0.4325 1.0356 0.3854 0.1690  0.0049  -0.0490 153 SER B C     
2569 O O     . SER B 155 ? 0.4277 1.0015 0.3756 0.1615  0.0081  -0.0506 153 SER B O     
2570 C CB    . SER B 155 ? 0.3947 1.0565 0.3527 0.1786  -0.0118 -0.0470 153 SER B CB    
2571 O OG    . SER B 155 ? 0.4069 1.0477 0.3523 0.2008  -0.0046 -0.0413 153 SER B OG    
2572 N N     . THR B 156 ? 0.4692 1.0750 0.4159 0.1847  0.0112  -0.0479 154 THR B N     
2573 C CA    . THR B 156 ? 0.5100 1.0815 0.4406 0.1948  0.0220  -0.0509 154 THR B CA    
2574 C C     . THR B 156 ? 0.5039 1.0413 0.4213 0.2008  0.0267  -0.0506 154 THR B C     
2575 O O     . THR B 156 ? 0.5188 1.0553 0.4315 0.2162  0.0281  -0.0438 154 THR B O     
2576 C CB    . THR B 156 ? 0.5708 1.1526 0.4959 0.2164  0.0285  -0.0482 154 THR B CB    
2577 O OG1   . THR B 156 ? 0.5849 1.1884 0.5183 0.2101  0.0305  -0.0488 154 THR B OG1   
2578 C CG2   . THR B 156 ? 0.5782 1.1200 0.4803 0.2340  0.0397  -0.0519 154 THR B CG2   
2579 N N     . GLY B 157 ? 0.4995 1.0107 0.4093 0.1902  0.0302  -0.0577 155 GLY B N     
2580 C CA    . GLY B 157 ? 0.4843 0.9683 0.3841 0.1935  0.0370  -0.0576 155 GLY B CA    
2581 C C     . GLY B 157 ? 0.5250 1.0160 0.4356 0.1843  0.0333  -0.0493 155 GLY B C     
2582 O O     . GLY B 157 ? 0.5274 1.0000 0.4329 0.1881  0.0423  -0.0454 155 GLY B O     
2583 N N     . LYS B 158 ? 0.4958 1.0129 0.4207 0.1742  0.0222  -0.0465 156 LYS B N     
2584 C CA    . LYS B 158 ? 0.4804 1.0005 0.4107 0.1681  0.0185  -0.0403 156 LYS B CA    
2585 C C     . LYS B 158 ? 0.4381 0.9746 0.3830 0.1479  0.0089  -0.0444 156 LYS B C     
2586 O O     . LYS B 158 ? 0.4020 0.9657 0.3571 0.1456  0.0011  -0.0463 156 LYS B O     
2587 C CB    . LYS B 158 ? 0.4941 1.0284 0.4206 0.1857  0.0151  -0.0329 156 LYS B CB    
2588 C CG    . LYS B 158 ? 0.5490 1.0619 0.4586 0.2082  0.0268  -0.0242 156 LYS B CG    
2589 C CD    . LYS B 158 ? 0.5633 1.0981 0.4684 0.2286  0.0217  -0.0220 156 LYS B CD    
2590 C CE    . LYS B 158 ? 0.6310 1.1410 0.5187 0.2523  0.0352  -0.0148 156 LYS B CE    
2591 N NZ    . LYS B 158 ? 0.6678 1.2013 0.5545 0.2686  0.0305  -0.0158 156 LYS B NZ    
2592 N N     . VAL B 159 ? 0.4336 0.9568 0.3802 0.1350  0.0106  -0.0450 157 VAL B N     
2593 C CA    . VAL B 159 ? 0.4283 0.9616 0.3864 0.1200  0.0036  -0.0458 157 VAL B CA    
2594 C C     . VAL B 159 ? 0.4381 0.9719 0.3941 0.1274  0.0028  -0.0394 157 VAL B C     
2595 O O     . VAL B 159 ? 0.5119 1.0285 0.4581 0.1358  0.0106  -0.0319 157 VAL B O     
2596 C CB    . VAL B 159 ? 0.4308 0.9532 0.3901 0.1067  0.0054  -0.0482 157 VAL B CB    
2597 C CG1   . VAL B 159 ? 0.3794 0.9101 0.3494 0.0938  -0.0001 -0.0483 157 VAL B CG1   
2598 C CG2   . VAL B 159 ? 0.4143 0.9317 0.3675 0.1045  0.0069  -0.0567 157 VAL B CG2   
2599 N N     . LEU B 160 ? 0.3954 0.9502 0.3601 0.1266  -0.0042 -0.0424 158 LEU B N     
2600 C CA    . LEU B 160 ? 0.3944 0.9469 0.3522 0.1373  -0.0045 -0.0386 158 LEU B CA    
2601 C C     . LEU B 160 ? 0.3741 0.9199 0.3340 0.1273  -0.0053 -0.0403 158 LEU B C     
2602 O O     . LEU B 160 ? 0.4356 0.9654 0.3824 0.1365  -0.0021 -0.0340 158 LEU B O     
2603 C CB    . LEU B 160 ? 0.4435 1.0233 0.4040 0.1514  -0.0093 -0.0427 158 LEU B CB    
2604 C CG    . LEU B 160 ? 0.4058 1.0102 0.3729 0.1550  -0.0116 -0.0471 158 LEU B CG    
2605 C CD1   . LEU B 160 ? 0.3903 1.0157 0.3580 0.1613  -0.0131 -0.0545 158 LEU B CD1   
2606 C CD2   . LEU B 160 ? 0.4587 1.0576 0.4128 0.1743  -0.0099 -0.0394 158 LEU B CD2   
2607 N N     . GLY B 161 ? 0.3369 0.8911 0.3088 0.1107  -0.0074 -0.0469 159 GLY B N     
2608 C CA    . GLY B 161 ? 0.3652 0.9067 0.3323 0.1046  -0.0074 -0.0476 159 GLY B CA    
2609 C C     . GLY B 161 ? 0.3632 0.9093 0.3391 0.0866  -0.0081 -0.0529 159 GLY B C     
2610 O O     . GLY B 161 ? 0.4331 0.9937 0.4194 0.0788  -0.0076 -0.0550 159 GLY B O     
2611 N N     . ILE B 162 ? 0.3480 0.8798 0.3154 0.0822  -0.0089 -0.0538 160 ILE B N     
2612 C CA    . ILE B 162 ? 0.4297 0.9601 0.3991 0.0666  -0.0095 -0.0566 160 ILE B CA    
2613 C C     . ILE B 162 ? 0.4272 0.9542 0.3854 0.0627  -0.0156 -0.0648 160 ILE B C     
2614 O O     . ILE B 162 ? 0.4675 0.9766 0.4092 0.0720  -0.0187 -0.0662 160 ILE B O     
2615 C CB    . ILE B 162 ? 0.4560 0.9705 0.4221 0.0647  -0.0068 -0.0500 160 ILE B CB    
2616 C CG1   . ILE B 162 ? 0.3935 0.9138 0.3698 0.0594  -0.0048 -0.0467 160 ILE B CG1   
2617 C CG2   . ILE B 162 ? 0.4613 0.9648 0.4171 0.0563  -0.0086 -0.0523 160 ILE B CG2   
2618 C CD1   . ILE B 162 ? 0.3803 0.9048 0.3602 0.0673  -0.0040 -0.0446 160 ILE B CD1   
2619 N N     . HIS B 163 ? 0.4458 0.9898 0.4104 0.0489  -0.0185 -0.0704 161 HIS B N     
2620 C CA    . HIS B 163 ? 0.4955 1.0375 0.4513 0.0403  -0.0293 -0.0801 161 HIS B CA    
2621 C C     . HIS B 163 ? 0.5051 1.0179 0.4416 0.0387  -0.0319 -0.0806 161 HIS B C     
2622 O O     . HIS B 163 ? 0.5513 1.0579 0.4875 0.0338  -0.0256 -0.0736 161 HIS B O     
2623 C CB    . HIS B 163 ? 0.5251 1.0962 0.4963 0.0218  -0.0314 -0.0828 161 HIS B CB    
2624 C CG    . HIS B 163 ? 0.5329 1.1058 0.5044 0.0070  -0.0470 -0.0936 161 HIS B CG    
2625 N ND1   . HIS B 163 ? 0.4847 1.0760 0.4702 0.0038  -0.0594 -0.1025 161 HIS B ND1   
2626 C CD2   . HIS B 163 ? 0.5838 1.1414 0.5452 -0.0060 -0.0547 -0.0981 161 HIS B CD2   
2627 C CE1   . HIS B 163 ? 0.5509 1.1379 0.5402 -0.0130 -0.0755 -0.1128 161 HIS B CE1   
2628 N NE2   . HIS B 163 ? 0.5590 1.1251 0.5319 -0.0194 -0.0727 -0.1110 161 HIS B NE2   
2629 N N     . VAL B 164 ? 0.5290 1.0223 0.4456 0.0450  -0.0418 -0.0892 162 VAL B N     
2630 C CA    . VAL B 164 ? 0.5577 1.0213 0.4498 0.0468  -0.0438 -0.0912 162 VAL B CA    
2631 C C     . VAL B 164 ? 0.5637 1.0144 0.4389 0.0379  -0.0614 -0.1076 162 VAL B C     
2632 O O     . VAL B 164 ? 0.5223 0.9439 0.3705 0.0414  -0.0640 -0.1123 162 VAL B O     
2633 C CB    . VAL B 164 ? 0.5483 0.9898 0.4233 0.0690  -0.0360 -0.0842 162 VAL B CB    
2634 C CG1   . VAL B 164 ? 0.5630 0.9871 0.4263 0.0706  -0.0289 -0.0778 162 VAL B CG1   
2635 C CG2   . VAL B 164 ? 0.5238 0.9814 0.4177 0.0784  -0.0261 -0.0732 162 VAL B CG2   
2636 N N     . GLY B 165 ? 0.6356 1.1068 0.5266 0.0268  -0.0746 -0.1176 163 GLY B N     
2637 C CA    . GLY B 165 ? 0.6995 1.1593 0.5818 0.0146  -0.0964 -0.1361 163 GLY B CA    
2638 C C     . GLY B 165 ? 0.6937 1.1809 0.6018 0.0066  -0.1112 -0.1444 163 GLY B C     
2639 O O     . GLY B 165 ? 0.6504 1.1619 0.5747 0.0161  -0.1032 -0.1362 163 GLY B O     
2640 N N     . GLY B 166 ? 0.7094 1.1917 0.6227 -0.0115 -0.1339 -0.1618 164 GLY B N     
2641 C CA    . GLY B 166 ? 0.6831 1.1930 0.6287 -0.0232 -0.1518 -0.1704 164 GLY B CA    
2642 C C     . GLY B 166 ? 0.7428 1.2340 0.6911 -0.0446 -0.1793 -0.1919 164 GLY B C     
2643 O O     . GLY B 166 ? 0.7928 1.2479 0.7141 -0.0498 -0.1831 -0.2014 164 GLY B O     
2644 N N     . ASN B 167 ? 0.7070 1.6166 0.5442 -0.2630 -0.0552 0.0929  165 ASN B N     
2645 C CA    . ASN B 167 ? 0.7333 1.6356 0.5303 -0.3181 -0.0602 0.0895  165 ASN B CA    
2646 C C     . ASN B 167 ? 0.6807 1.6863 0.5122 -0.3480 -0.0588 0.1003  165 ASN B C     
2647 O O     . ASN B 167 ? 0.6585 1.7267 0.5283 -0.3314 -0.0578 0.1076  165 ASN B O     
2648 C CB    . ASN B 167 ? 0.6803 1.5344 0.4447 -0.3272 -0.0680 0.0810  165 ASN B CB    
2649 C CG    . ASN B 167 ? 0.6745 1.5961 0.4756 -0.3268 -0.0726 0.0868  165 ASN B CG    
2650 O OD1   . ASN B 167 ? 0.5962 1.5697 0.4457 -0.2922 -0.0685 0.0946  165 ASN B OD1   
2651 N ND2   . ASN B 167 ? 0.7453 1.6581 0.5169 -0.3641 -0.0799 0.0829  165 ASN B ND2   
2652 N N     . GLY B 168 ? 0.6876 1.7089 0.5024 -0.3876 -0.0561 0.1022  166 GLY B N     
2653 C CA    . GLY B 168 ? 0.6817 1.8048 0.5235 -0.4204 -0.0523 0.1133  166 GLY B CA    
2654 C C     . GLY B 168 ? 0.7259 1.9297 0.6229 -0.3772 -0.0415 0.1258  166 GLY B C     
2655 O O     . GLY B 168 ? 0.7682 1.9831 0.6815 -0.3611 -0.0354 0.1286  166 GLY B O     
2656 N N     . HIS B 169 ? 0.6645 1.9111 0.5811 -0.3540 -0.0400 0.1321  167 HIS B N     
2657 C CA    . HIS B 169 ? 0.6640 1.9612 0.6100 -0.3065 -0.0315 0.1419  167 HIS B CA    
2658 C C     . HIS B 169 ? 0.6086 1.8718 0.5733 -0.2547 -0.0316 0.1393  167 HIS B C     
2659 O O     . HIS B 169 ? 0.5855 1.8813 0.5657 -0.2203 -0.0279 0.1457  167 HIS B O     
2660 C CB    . HIS B 169 ? 0.6807 2.0528 0.6256 -0.3192 -0.0329 0.1507  167 HIS B CB    
2661 C CG    . HIS B 169 ? 0.6774 2.0759 0.5959 -0.3788 -0.0372 0.1510  167 HIS B CG    
2662 N ND1   . HIS B 169 ? 0.7459 2.1105 0.6445 -0.4109 -0.0379 0.1455  167 HIS B ND1   
2663 C CD2   . HIS B 169 ? 0.6735 2.1284 0.5792 -0.4141 -0.0409 0.1560  167 HIS B CD2   
2664 C CE1   . HIS B 169 ? 0.7580 2.1506 0.6288 -0.4647 -0.0417 0.1464  167 HIS B CE1   
2665 N NE2   . HIS B 169 ? 0.7206 2.1702 0.5961 -0.4678 -0.0437 0.1529  167 HIS B NE2   
2666 N N     . GLN B 170 ? 0.5735 1.7617 0.5297 -0.2472 -0.0381 0.1287  168 GLN B N     
2667 C CA    . GLN B 170 ? 0.5320 1.6782 0.4980 -0.2035 -0.0394 0.1248  168 GLN B CA    
2668 C C     . GLN B 170 ? 0.5322 1.6137 0.4949 -0.1795 -0.0378 0.1181  168 GLN B C     
2669 O O     . GLN B 170 ? 0.5754 1.6093 0.5109 -0.2008 -0.0433 0.1108  168 GLN B O     
2670 C CB    . GLN B 170 ? 0.5659 1.6827 0.5143 -0.2184 -0.0511 0.1182  168 GLN B CB    
2671 C CG    . GLN B 170 ? 0.6103 1.7905 0.5605 -0.2442 -0.0551 0.1246  168 GLN B CG    
2672 C CD    . GLN B 170 ? 0.6382 1.8373 0.5635 -0.3033 -0.0592 0.1239  168 GLN B CD    
2673 O OE1   . GLN B 170 ? 0.5952 1.8627 0.5247 -0.3258 -0.0572 0.1322  168 GLN B OE1   
2674 N NE2   . GLN B 170 ? 0.6824 1.8138 0.5740 -0.3284 -0.0651 0.1135  168 GLN B NE2   
2675 N N     . GLY B 171 ? 0.4491 1.5208 0.4307 -0.1355 -0.0302 0.1202  169 GLY B N     
2676 C CA    . GLY B 171 ? 0.4028 1.4164 0.3822 -0.1109 -0.0281 0.1147  169 GLY B CA    
2677 C C     . GLY B 171 ? 0.4000 1.3714 0.3831 -0.0764 -0.0272 0.1108  169 GLY B C     
2678 O O     . GLY B 171 ? 0.3878 1.3824 0.3833 -0.0572 -0.0231 0.1154  169 GLY B O     
2679 N N     . PHE B 172 ? 0.4379 1.3434 0.4044 -0.0684 -0.0309 0.1022  170 PHE B N     
2680 C CA    . PHE B 172 ? 0.4415 1.3042 0.4072 -0.0433 -0.0309 0.0975  170 PHE B CA    
2681 C C     . PHE B 172 ? 0.4192 1.2415 0.3878 -0.0171 -0.0247 0.0948  170 PHE B C     
2682 O O     . PHE B 172 ? 0.4265 1.2240 0.3830 -0.0211 -0.0251 0.0921  170 PHE B O     
2683 C CB    . PHE B 172 ? 0.4484 1.2695 0.3872 -0.0579 -0.0404 0.0893  170 PHE B CB    
2684 C CG    . PHE B 172 ? 0.4201 1.2723 0.3490 -0.0896 -0.0481 0.0904  170 PHE B CG    
2685 C CD1   . PHE B 172 ? 0.4184 1.3114 0.3632 -0.0880 -0.0493 0.0956  170 PHE B CD1   
2686 C CD2   . PHE B 172 ? 0.4564 1.2900 0.3535 -0.1218 -0.0541 0.0856  170 PHE B CD2   
2687 C CE1   . PHE B 172 ? 0.4473 1.3708 0.3830 -0.1187 -0.0569 0.0967  170 PHE B CE1   
2688 C CE2   . PHE B 172 ? 0.4882 1.3480 0.3729 -0.1558 -0.0612 0.0860  170 PHE B CE2   
2689 C CZ    . PHE B 172 ? 0.4810 1.3897 0.3882 -0.1544 -0.0629 0.0918  170 PHE B CZ    
2690 N N     . SER B 173 ? 0.3784 1.1902 0.3582 0.0082  -0.0192 0.0953  171 SER B N     
2691 C CA    . SER B 173 ? 0.3659 1.1402 0.3476 0.0303  -0.0134 0.0925  171 SER B CA    
2692 C C     . SER B 173 ? 0.3501 1.0847 0.3251 0.0410  -0.0151 0.0869  171 SER B C     
2693 O O     . SER B 173 ? 0.4097 1.1525 0.3874 0.0459  -0.0157 0.0887  171 SER B O     
2694 C CB    . SER B 173 ? 0.3407 1.1381 0.3371 0.0489  -0.0035 0.0985  171 SER B CB    
2695 O OG    . SER B 173 ? 0.3455 1.1912 0.3494 0.0378  -0.0011 0.1049  171 SER B OG    
2696 N N     . ALA B 174 ? 0.3443 1.0373 0.3089 0.0448  -0.0159 0.0807  172 ALA B N     
2697 C CA    . ALA B 174 ? 0.3511 1.0121 0.3126 0.0561  -0.0152 0.0763  172 ALA B CA    
2698 C C     . ALA B 174 ? 0.3265 0.9907 0.2989 0.0724  -0.0091 0.0798  172 ALA B C     
2699 O O     . ALA B 174 ? 0.3419 1.0097 0.3212 0.0822  -0.0031 0.0822  172 ALA B O     
2700 C CB    . ALA B 174 ? 0.4076 1.0328 0.3596 0.0613  -0.0145 0.0707  172 ALA B CB    
2701 N N     . ALA B 175 ? 0.3704 1.0292 0.3401 0.0752  -0.0114 0.0798  173 ALA B N     
2702 C CA    . ALA B 175 ? 0.3991 1.0517 0.3708 0.0903  -0.0077 0.0827  173 ALA B CA    
2703 C C     . ALA B 175 ? 0.3934 1.0136 0.3632 0.0987  -0.0041 0.0790  173 ALA B C     
2704 O O     . ALA B 175 ? 0.4388 1.0407 0.4055 0.0941  -0.0050 0.0740  173 ALA B O     
2705 C CB    . ALA B 175 ? 0.4011 1.0501 0.3660 0.0907  -0.0133 0.0837  173 ALA B CB    
2706 N N     . LEU B 176 ? 0.3703 0.9844 0.3399 0.1116  -0.0006 0.0818  174 LEU B N     
2707 C CA    . LEU B 176 ? 0.4350 1.0236 0.4015 0.1188  0.0018  0.0794  174 LEU B CA    
2708 C C     . LEU B 176 ? 0.4673 1.0433 0.4238 0.1262  -0.0012 0.0817  174 LEU B C     
2709 O O     . LEU B 176 ? 0.4724 1.0509 0.4243 0.1377  -0.0008 0.0861  174 LEU B O     
2710 C CB    . LEU B 176 ? 0.4629 1.0521 0.4334 0.1270  0.0073  0.0808  174 LEU B CB    
2711 C CG    . LEU B 176 ? 0.4028 0.9808 0.3766 0.1242  0.0095  0.0770  174 LEU B CG    
2712 C CD1   . LEU B 176 ? 0.3708 0.9613 0.3479 0.1136  0.0076  0.0753  174 LEU B CD1   
2713 C CD2   . LEU B 176 ? 0.4004 0.9837 0.3768 0.1344  0.0147  0.0800  174 LEU B CD2   
2714 N N     . LEU B 177 ? 0.5362 1.0971 0.4867 0.1202  -0.0047 0.0790  175 LEU B N     
2715 C CA    . LEU B 177 ? 0.5923 1.1368 0.5283 0.1235  -0.0098 0.0816  175 LEU B CA    
2716 C C     . LEU B 177 ? 0.5415 1.0622 0.4690 0.1261  -0.0098 0.0810  175 LEU B C     
2717 O O     . LEU B 177 ? 0.5044 1.0237 0.4386 0.1209  -0.0071 0.0770  175 LEU B O     
2718 C CB    . LEU B 177 ? 0.6402 1.1836 0.5712 0.1129  -0.0145 0.0799  175 LEU B CB    
2719 C CG    . LEU B 177 ? 0.6812 1.2452 0.6159 0.1095  -0.0169 0.0812  175 LEU B CG    
2720 C CD1   . LEU B 177 ? 0.8110 1.3882 0.7465 0.1212  -0.0166 0.0867  175 LEU B CD1   
2721 C CD2   . LEU B 177 ? 0.5494 1.1263 0.4943 0.0997  -0.0147 0.0769  175 LEU B CD2   
2722 N N     . LYS B 178 ? 0.5490 1.0490 0.4579 0.1337  -0.0141 0.0852  176 LYS B N     
2723 C CA    . LYS B 178 ? 0.5440 1.0166 0.4382 0.1341  -0.0159 0.0854  176 LYS B CA    
2724 C C     . LYS B 178 ? 0.5794 1.0462 0.4719 0.1195  -0.0176 0.0820  176 LYS B C     
2725 O O     . LYS B 178 ? 0.5869 1.0485 0.4810 0.1161  -0.0161 0.0798  176 LYS B O     
2726 C CB    . LYS B 178 ? 0.5834 1.0257 0.4479 0.1426  -0.0222 0.0910  176 LYS B CB    
2727 C CG    . LYS B 178 ? 0.5197 0.9271 0.3609 0.1411  -0.0249 0.0919  176 LYS B CG    
2728 C CD    . LYS B 178 ? 0.5198 0.8895 0.3235 0.1501  -0.0313 0.0978  176 LYS B CD    
2729 C CE    . LYS B 178 ? 0.5928 0.9701 0.4005 0.1721  -0.0269 0.1004  176 LYS B CE    
2730 N NZ    . LYS B 178 ? 0.6219 0.9668 0.3936 0.1861  -0.0323 0.1067  176 LYS B NZ    
2731 N N     . HIS B 179 ? 0.6054 1.0764 0.4948 0.1110  -0.0206 0.0816  177 HIS B N     
2732 C CA    . HIS B 179 ? 0.5341 1.0025 0.4194 0.0979  -0.0220 0.0790  177 HIS B CA    
2733 C C     . HIS B 179 ? 0.4932 0.9850 0.4022 0.0954  -0.0157 0.0735  177 HIS B C     
2734 O O     . HIS B 179 ? 0.5596 1.0541 0.4678 0.0873  -0.0157 0.0714  177 HIS B O     
2735 C CB    . HIS B 179 ? 0.6369 1.1047 0.5119 0.0907  -0.0261 0.0799  177 HIS B CB    
2736 C CG    . HIS B 179 ? 0.6337 1.1286 0.5283 0.0879  -0.0227 0.0759  177 HIS B CG    
2737 N ND1   . HIS B 179 ? 0.5950 1.1062 0.5027 0.0818  -0.0187 0.0707  177 HIS B ND1   
2738 C CD2   . HIS B 179 ? 0.6093 1.1153 0.5080 0.0900  -0.0237 0.0765  177 HIS B CD2   
2739 C CE1   . HIS B 179 ? 0.5646 1.0901 0.4803 0.0808  -0.0177 0.0681  177 HIS B CE1   
2740 N NE2   . HIS B 179 ? 0.5773 1.1003 0.4880 0.0840  -0.0209 0.0715  177 HIS B NE2   
2741 N N     . TYR B 180 ? 0.4259 0.9339 0.3524 0.1020  -0.0107 0.0715  178 TYR B N     
2742 C CA    . TYR B 180 ? 0.4422 0.9650 0.3841 0.1015  -0.0058 0.0666  178 TYR B CA    
2743 C C     . TYR B 180 ? 0.4868 1.0046 0.4295 0.1030  -0.0044 0.0658  178 TYR B C     
2744 O O     . TYR B 180 ? 0.4383 0.9681 0.3904 0.1029  -0.0014 0.0619  178 TYR B O     
2745 C CB    . TYR B 180 ? 0.4534 0.9854 0.4055 0.1068  -0.0021 0.0656  178 TYR B CB    
2746 C CG    . TYR B 180 ? 0.4875 1.0292 0.4408 0.1030  -0.0035 0.0651  178 TYR B CG    
2747 C CD1   . TYR B 180 ? 0.5438 1.0852 0.4893 0.0978  -0.0077 0.0664  178 TYR B CD1   
2748 C CD2   . TYR B 180 ? 0.4900 1.0392 0.4490 0.1036  -0.0018 0.0644  178 TYR B CD2   
2749 C CE1   . TYR B 180 ? 0.6112 1.1614 0.5560 0.0933  -0.0101 0.0662  178 TYR B CE1   
2750 C CE2   . TYR B 180 ? 0.4998 1.0572 0.4569 0.0975  -0.0048 0.0645  178 TYR B CE2   
2751 C CZ    . TYR B 180 ? 0.6062 1.1649 0.5568 0.0925  -0.0089 0.0652  178 TYR B CZ    
2752 O OH    . TYR B 180 ? 0.5904 1.1571 0.5372 0.0851  -0.0131 0.0653  178 TYR B OH    
2753 N N     . PHE B 181 ? 0.5128 1.0117 0.4430 0.1052  -0.0072 0.0693  179 PHE B N     
2754 C CA    . PHE B 181 ? 0.5227 1.0144 0.4512 0.1064  -0.0067 0.0689  179 PHE B CA    
2755 C C     . PHE B 181 ? 0.6132 1.0874 0.5210 0.0962  -0.0128 0.0711  179 PHE B C     
2756 O O     . PHE B 181 ? 0.5953 1.0433 0.4795 0.0948  -0.0181 0.0751  179 PHE B O     
2757 C CB    . PHE B 181 ? 0.4931 0.9745 0.4203 0.1172  -0.0048 0.0709  179 PHE B CB    
2758 C CG    . PHE B 181 ? 0.4431 0.9419 0.3867 0.1234  0.0009  0.0694  179 PHE B CG    
2759 C CD1   . PHE B 181 ? 0.3765 0.8866 0.3317 0.1237  0.0047  0.0656  179 PHE B CD1   
2760 C CD2   . PHE B 181 ? 0.4635 0.9670 0.4072 0.1278  0.0013  0.0721  179 PHE B CD2   
2761 C CE1   . PHE B 181 ? 0.3777 0.8971 0.3407 0.1262  0.0079  0.0647  179 PHE B CE1   
2762 C CE2   . PHE B 181 ? 0.4237 0.9440 0.3791 0.1292  0.0053  0.0713  179 PHE B CE2   
2763 C CZ    . PHE B 181 ? 0.4192 0.9447 0.3826 0.1271  0.0080  0.0676  179 PHE B CZ    
2764 N N     . ASN B 182 ? 0.8078 1.2952 0.7208 0.0890  -0.0123 0.0686  180 ASN B N     
2765 C CA    . ASN B 182 ? 0.8283 1.3088 0.7236 0.0742  -0.0174 0.0699  180 ASN B CA    
2766 C C     . ASN B 182 ? 0.8410 1.3186 0.7259 0.0663  -0.0200 0.0713  180 ASN B C     
2767 O O     . ASN B 182 ? 0.8243 1.3283 0.7265 0.0659  -0.0166 0.0684  180 ASN B O     
2768 C CB    . ASN B 182 ? 0.8589 1.3025 0.7239 0.0701  -0.0232 0.0735  180 ASN B CB    
2769 C CG    . ASN B 182 ? 0.8656 1.3162 0.7258 0.0584  -0.0250 0.0724  180 ASN B CG    
2770 O OD1   . ASN B 182 ? 0.8490 1.3355 0.7284 0.0528  -0.0223 0.0697  180 ASN B OD1   
2771 N ND2   . ASN B 182 ? 0.8914 1.3101 0.7255 0.0555  -0.0295 0.0745  180 ASN B ND2   
2772 P P     . G   C 2   ? 3.5565 1.6892 2.9361 0.8393  0.0945  -0.4751 1   G   C P     
2773 O OP1   . G   C 2   ? 3.5811 1.7583 2.8886 0.9069  0.1739  -0.4748 1   G   C OP1   
2774 O OP2   . G   C 2   ? 3.4321 1.6956 2.9447 0.7962  0.0753  -0.4432 1   G   C OP2   
2775 O "O5'" . G   C 2   ? 3.6259 1.6616 3.0634 0.8415  0.0768  -0.4775 1   G   C "O5'" 
2776 C "C5'" . G   C 2   ? 3.7308 1.6265 3.0641 0.8800  0.0870  -0.5078 1   G   C "C5'" 
2777 C "C4'" . G   C 2   ? 3.7579 1.5945 3.1815 0.8718  0.0671  -0.4978 1   G   C "C4'" 
2778 O "O4'" . G   C 2   ? 3.7392 1.5142 3.2216 0.8074  -0.0138 -0.4979 1   G   C "O4'" 
2779 C "C3'" . G   C 2   ? 3.7066 1.6726 3.2759 0.8894  0.1140  -0.4540 1   G   C "C3'" 
2780 O "O3'" . G   C 2   ? 3.7508 1.7664 3.3028 0.9414  0.1811  -0.4460 1   G   C "O3'" 
2781 C "C2'" . G   C 2   ? 3.6774 1.5873 3.3508 0.8457  0.0635  -0.4415 1   G   C "C2'" 
2782 O "O2'" . G   C 2   ? 3.7340 1.5591 3.3798 0.8586  0.0667  -0.4514 1   G   C "O2'" 
2783 C "C1'" . G   C 2   ? 3.6648 1.4827 3.2990 0.7903  -0.0165 -0.4648 1   G   C "C1'" 
2784 N N9    . G   C 2   ? 3.5352 1.4476 3.2943 0.7420  -0.0466 -0.4392 1   G   C N9    
2785 C C8    . G   C 2   ? 3.4882 1.4883 3.2458 0.7179  -0.0543 -0.4370 1   G   C C8    
2786 N N7    . G   C 2   ? 3.3876 1.4652 3.2803 0.6730  -0.0815 -0.4125 1   G   C N7    
2787 C C5    . G   C 2   ? 3.3636 1.4058 3.3513 0.6661  -0.0902 -0.3961 1   G   C C5    
2788 C C6    . G   C 2   ? 3.2479 1.3438 3.3967 0.6260  -0.1124 -0.3668 1   G   C C6    
2789 O O6    . G   C 2   ? 3.1682 1.3529 3.4096 0.5899  -0.1287 -0.3525 1   G   C O6    
2790 N N1    . G   C 2   ? 3.2488 1.2852 3.4520 0.6312  -0.1133 -0.3535 1   G   C N1    
2791 C C2    . G   C 2   ? 3.3406 1.2894 3.4544 0.6651  -0.0924 -0.3639 1   G   C C2    
2792 N N2    . G   C 2   ? 3.2954 1.2199 3.4778 0.6536  -0.0913 -0.3385 1   G   C N2    
2793 N N3    . G   C 2   ? 3.4556 1.3492 3.4230 0.7054  -0.0721 -0.3955 1   G   C N3    
2794 C C4    . G   C 2   ? 3.4638 1.4029 3.3714 0.7066  -0.0719 -0.4109 1   G   C C4    
2795 P P     . U   C 3   ? 3.7321 1.9223 3.3839 0.9712  0.2469  -0.4015 2   U   C P     
2796 O OP1   . U   C 3   ? 3.7783 1.9964 3.3801 1.0207  0.3030  -0.4019 2   U   C OP1   
2797 O OP2   . U   C 3   ? 3.6656 1.9481 3.3373 0.9587  0.2482  -0.3898 2   U   C OP2   
2798 O "O5'" . U   C 3   ? 3.6748 1.8826 3.4679 0.9491  0.2329  -0.3702 2   U   C "O5'" 
2799 C "C5'" . U   C 3   ? 3.6920 1.8449 3.5056 0.9616  0.2360  -0.3673 2   U   C "C5'" 
2800 C "C4'" . U   C 3   ? 3.6512 1.7814 3.5823 0.9261  0.2005  -0.3443 2   U   C "C4'" 
2801 O "O4'" . U   C 3   ? 3.6612 1.7243 3.5985 0.8772  0.1406  -0.3582 2   U   C "O4'" 
2802 C "C3'" . U   C 3   ? 3.4965 1.7630 3.5506 0.9253  0.2312  -0.2980 2   U   C "C3'" 
2803 O "O3'" . U   C 3   ? 3.4854 1.8050 3.5701 0.9573  0.2703  -0.2731 2   U   C "O3'" 
2804 C "C2'" . U   C 3   ? 3.4758 1.6929 3.6208 0.8785  0.1819  -0.2868 2   U   C "C2'" 
2805 O "O2'" . U   C 3   ? 3.5500 1.6877 3.7292 0.8750  0.1609  -0.2797 2   U   C "O2'" 
2806 C "C1'" . U   C 3   ? 3.5545 1.6688 3.6249 0.8482  0.1281  -0.3247 2   U   C "C1'" 
2807 N N1    . U   C 3   ? 3.4500 1.6486 3.5525 0.8202  0.1176  -0.3210 2   U   C N1    
2808 C C2    . U   C 3   ? 3.3475 1.6055 3.5847 0.7731  0.0943  -0.2948 2   U   C C2    
2809 O O2    . U   C 3   ? 3.3505 1.5809 3.6695 0.7606  0.0846  -0.2740 2   U   C O2    
2810 N N3    . U   C 3   ? 3.2587 1.6108 3.5349 0.7413  0.0839  -0.2928 2   U   C N3    
2811 C C4    . U   C 3   ? 3.2744 1.6667 3.4707 0.7487  0.0905  -0.3109 2   U   C C4    
2812 O O4    . U   C 3   ? 3.1968 1.6716 3.4464 0.7160  0.0758  -0.3053 2   U   C O4    
2813 C C5    . U   C 3   ? 3.4005 1.7316 3.4581 0.7961  0.1157  -0.3343 2   U   C C5    
2814 C C6    . U   C 3   ? 3.4563 1.6947 3.4728 0.8309  0.1297  -0.3400 2   U   C C6    
2815 P P     . A   C 4   ? 3.1414 1.6289 3.3063 0.9683  0.3199  -0.2264 3   A   C P     
2816 O OP1   . A   C 4   ? 3.0222 1.5291 3.1933 1.0016  0.3500  -0.2067 3   A   C OP1   
2817 O OP2   . A   C 4   ? 3.0641 1.6436 3.1982 0.9715  0.3428  -0.2299 3   A   C OP2   
2818 O "O5'" . A   C 4   ? 3.0148 1.5220 3.2943 0.9280  0.2982  -0.1976 3   A   C "O5'" 
2819 C "C5'" . A   C 4   ? 2.9107 1.4203 3.2602 0.9263  0.3022  -0.1643 3   A   C "C5'" 
2820 C "C4'" . A   C 4   ? 2.7970 1.3508 3.2560 0.8838  0.2922  -0.1354 3   A   C "C4'" 
2821 O "O4'" . A   C 4   ? 2.7984 1.2924 3.2627 0.8474  0.2477  -0.1613 3   A   C "O4'" 
2822 C "C3'" . A   C 4   ? 2.6942 1.4065 3.2175 0.8786  0.3367  -0.1033 3   A   C "C3'" 
2823 O "O3'" . A   C 4   ? 2.6828 1.4597 3.2438 0.8951  0.3732  -0.0629 3   A   C "O3'" 
2824 C "C2'" . A   C 4   ? 2.6338 1.3595 3.2493 0.8292  0.3121  -0.0987 3   A   C "C2'" 
2825 O "O2'" . A   C 4   ? 2.6042 1.3229 3.3072 0.8077  0.3085  -0.0660 3   A   C "O2'" 
2826 C "C1'" . A   C 4   ? 2.6779 1.2738 3.2422 0.8130  0.2561  -0.1401 3   A   C "C1'" 
2827 N N9    . A   C 4   ? 2.7068 1.3303 3.2412 0.8049  0.2488  -0.1666 3   A   C N9    
2828 C C8    . A   C 4   ? 2.8336 1.4149 3.2525 0.8279  0.2440  -0.2000 3   A   C C8    
2829 N N7    . A   C 4   ? 2.8185 1.4521 3.2313 0.8032  0.2275  -0.2142 3   A   C N7    
2830 C C5    . A   C 4   ? 2.6771 1.3895 3.2112 0.7635  0.2215  -0.1916 3   A   C C5    
2831 C C6    . A   C 4   ? 2.6091 1.3999 3.2022 0.7257  0.2047  -0.1933 3   A   C C6    
2832 N N6    . A   C 4   ? 2.6124 1.4164 3.1489 0.7183  0.1858  -0.2165 3   A   C N6    
2833 N N1    . A   C 4   ? 2.5449 1.4009 3.2602 0.6956  0.2088  -0.1695 3   A   C N1    
2834 C C2    . A   C 4   ? 2.5338 1.3791 3.3045 0.7006  0.2279  -0.1427 3   A   C C2    
2835 N N3    . A   C 4   ? 2.5570 1.3319 3.2837 0.7320  0.2408  -0.1352 3   A   C N3    
2836 C C4    . A   C 4   ? 2.6380 1.3463 3.2457 0.7641  0.2366  -0.1624 3   A   C C4    
2837 P P     . A   C 5   ? 2.6555 1.5923 3.2638 0.8962  0.4225  -0.0267 4   A   C P     
2838 O OP1   . A   C 5   ? 2.6646 1.6356 3.2524 0.9302  0.4545  0.0010  4   A   C OP1   
2839 O OP2   . A   C 5   ? 2.6304 1.6315 3.2140 0.8900  0.4257  -0.0477 4   A   C OP2   
2840 O "O5'" . A   C 5   ? 2.5634 1.5321 3.2859 0.8582  0.4241  0.0046  4   A   C "O5'" 
2841 C "C5'" . A   C 5   ? 2.5190 1.6148 3.2985 0.8502  0.4641  0.0375  4   A   C "C5'" 
2842 C "C4'" . A   C 5   ? 2.5094 1.6431 3.3716 0.8092  0.4561  0.0338  4   A   C "C4'" 
2843 O "O4'" . A   C 5   ? 2.5104 1.5652 3.3556 0.7912  0.4094  -0.0073 4   A   C "O4'" 
2844 C "C3'" . A   C 5   ? 2.4894 1.7501 3.3659 0.8037  0.4858  0.0379  4   A   C "C3'" 
2845 O "O3'" . A   C 5   ? 2.4787 1.8281 3.3955 0.8026  0.5261  0.0791  4   A   C "O3'" 
2846 C "C2'" . A   C 5   ? 2.4428 1.7036 3.3727 0.7600  0.4535  0.0127  4   A   C "C2'" 
2847 O "O2'" . A   C 5   ? 2.3815 1.6626 3.4086 0.7269  0.4580  0.0360  4   A   C "O2'" 
2848 C "C1'" . A   C 5   ? 2.4673 1.5956 3.3563 0.7609  0.4051  -0.0190 4   A   C "C1'" 
2849 N N9    . A   C 5   ? 2.4875 1.6043 3.2988 0.7711  0.3868  -0.0551 4   A   C N9    
2850 C C8    . A   C 5   ? 2.5251 1.5740 3.2355 0.8070  0.3823  -0.0749 4   A   C C8    
2851 N N7    . A   C 5   ? 2.5407 1.5976 3.1972 0.8050  0.3659  -0.1033 4   A   C N7    
2852 C C5    . A   C 5   ? 2.5033 1.6350 3.2339 0.7654  0.3555  -0.1029 4   A   C C5    
2853 C C6    . A   C 5   ? 2.4819 1.6551 3.2087 0.7435  0.3338  -0.1242 4   A   C C6    
2854 N N6    . A   C 5   ? 2.5227 1.6695 3.1607 0.7568  0.3186  -0.1484 4   A   C N6    
2855 N N1    . A   C 5   ? 2.4289 1.6720 3.2478 0.7074  0.3291  -0.1192 4   A   C N1    
2856 C C2    . A   C 5   ? 2.3962 1.6680 3.3003 0.6946  0.3492  -0.0942 4   A   C C2    
2857 N N3    . A   C 5   ? 2.4221 1.6634 3.3365 0.7098  0.3704  -0.0695 4   A   C N3    
2858 C C4    . A   C 5   ? 2.4688 1.6377 3.2948 0.7455  0.3704  -0.0752 4   A   C C4    
2859 P P     . A   C 6   ? 2.5404 1.9990 3.4127 0.8257  0.5634  0.0954  5   A   C P     
2860 O OP1   . A   C 6   ? 2.5467 2.0749 3.4641 0.8178  0.5984  0.1405  5   A   C OP1   
2861 O OP2   . A   C 6   ? 2.6042 2.0289 3.3845 0.8591  0.5547  0.0836  5   A   C OP2   
2862 O "O5'" . A   C 6   ? 2.4274 1.9531 3.3100 0.8009  0.5554  0.0679  5   A   C "O5'" 
2863 C "C5'" . A   C 6   ? 2.3724 1.9362 3.3323 0.7596  0.5533  0.0661  5   A   C "C5'" 
2864 C "C4'" . A   C 6   ? 2.3403 1.9478 3.3038 0.7405  0.5367  0.0337  5   A   C "C4'" 
2865 O "O4'" . A   C 6   ? 2.3954 1.9175 3.3395 0.7358  0.4918  -0.0017 5   A   C "O4'" 
2866 C "C3'" . A   C 6   ? 2.2886 1.9740 3.1937 0.7592  0.5521  0.0326  5   A   C "C3'" 
2867 O "O3'" . A   C 6   ? 2.2006 1.9826 3.1224 0.7536  0.5877  0.0587  5   A   C "O3'" 
2868 C "C2'" . A   C 6   ? 2.2841 1.9659 3.1927 0.7390  0.5174  -0.0060 5   A   C "C2'" 
2869 O "O2'" . A   C 6   ? 2.1996 1.9381 3.1811 0.7049  0.5202  -0.0121 5   A   C "O2'" 
2870 C "C1'" . A   C 6   ? 2.3642 1.9295 3.2780 0.7325  0.4791  -0.0261 5   A   C "C1'" 
2871 N N9    . A   C 6   ? 2.4520 1.9565 3.2780 0.7592  0.4597  -0.0449 5   A   C N9    
2872 C C8    . A   C 6   ? 2.5058 1.9459 3.2690 0.7954  0.4673  -0.0387 5   A   C C8    
2873 N N7    . A   C 6   ? 2.5309 1.9292 3.2177 0.8130  0.4501  -0.0626 5   A   C N7    
2874 C C5    . A   C 6   ? 2.4872 1.9258 3.1885 0.7841  0.4258  -0.0833 5   A   C C5    
2875 C C6    . A   C 6   ? 2.4669 1.8929 3.1122 0.7814  0.3986  -0.1098 5   A   C C6    
2876 N N6    . A   C 6   ? 2.4970 1.8653 3.0503 0.8103  0.3951  -0.1229 5   A   C N6    
2877 N N1    . A   C 6   ? 2.4197 1.8952 3.1068 0.7473  0.3753  -0.1223 5   A   C N1    
2878 C C2    . A   C 6   ? 2.3853 1.9176 3.1634 0.7211  0.3832  -0.1123 5   A   C C2    
2879 N N3    . A   C 6   ? 2.3800 1.9314 3.2123 0.7211  0.4123  -0.0891 5   A   C N3    
2880 C C4    . A   C 6   ? 2.4375 1.9399 3.2272 0.7522  0.4311  -0.0736 5   A   C C4    
2881 P P     . A   C 7   ? 1.9645 1.8255 2.8206 0.7758  0.6058  0.0746  6   A   C P     
2882 O OP1   . A   C 7   ? 1.8649 1.8006 2.7411 0.7701  0.6428  0.1090  6   A   C OP1   
2883 O OP2   . A   C 7   ? 1.9958 1.8077 2.7833 0.8069  0.5951  0.0774  6   A   C OP2   
2884 O "O5'" . A   C 7   ? 1.8603 1.7636 2.7109 0.7583  0.5836  0.0420  6   A   C "O5'" 
2885 C "C5'" . A   C 7   ? 1.7910 1.7453 2.6994 0.7282  0.5883  0.0301  6   A   C "C5'" 
2886 C "C4'" . A   C 7   ? 1.7690 1.7404 2.6747 0.7149  0.5579  -0.0033 6   A   C "C4'" 
2887 O "O4'" . A   C 7   ? 1.8189 1.7056 2.7279 0.7110  0.5200  -0.0298 6   A   C "O4'" 
2888 C "C3'" . A   C 7   ? 1.7272 1.7484 2.5630 0.7309  0.5523  0.0016  6   A   C "C3'" 
2889 O "O3'" . A   C 7   ? 1.6975 1.8065 2.5279 0.7224  0.5714  0.0170  6   A   C "O3'" 
2890 C "C2'" . A   C 7   ? 1.7244 1.7189 2.5647 0.7204  0.5138  -0.0330 6   A   C "C2'" 
2891 O "O2'" . A   C 7   ? 1.6297 1.6700 2.5223 0.6899  0.5038  -0.0518 6   A   C "O2'" 
2892 C "C1'" . A   C 7   ? 1.7880 1.6843 2.6542 0.7142  0.4937  -0.0487 6   A   C "C1'" 
2893 N N9    . A   C 7   ? 1.8942 1.7225 2.6928 0.7419  0.4826  -0.0500 6   A   C N9    
2894 C C8    . A   C 7   ? 2.0126 1.7815 2.7878 0.7665  0.4975  -0.0349 6   A   C C8    
2895 N N7    . A   C 7   ? 2.0827 1.7929 2.7917 0.7907  0.4854  -0.0448 6   A   C N7    
2896 C C5    . A   C 7   ? 2.0216 1.7572 2.7074 0.7792  0.4605  -0.0650 6   A   C C5    
2897 C C6    . A   C 7   ? 2.0337 1.7352 2.6488 0.7924  0.4409  -0.0815 6   A   C C6    
2898 N N6    . A   C 7   ? 2.0857 1.7148 2.6353 0.8240  0.4464  -0.0846 6   A   C N6    
2899 N N1    . A   C 7   ? 1.9734 1.7168 2.5860 0.7719  0.4159  -0.0951 6   A   C N1    
2900 C C2    . A   C 7   ? 1.9003 1.7108 2.5791 0.7426  0.4107  -0.0951 6   A   C C2    
2901 N N3    . A   C 7   ? 1.8518 1.6979 2.5967 0.7301  0.4308  -0.0843 6   A   C N3    
2902 C C4    . A   C 7   ? 1.9145 1.7217 2.6584 0.7488  0.4560  -0.0679 6   A   C C4    
2903 P P     . C   C 8   ? 1.7123 1.8817 2.4732 0.7399  0.5740  0.0414  7   C   C P     
2904 O OP1   . C   C 8   ? 1.7003 1.9467 2.4672 0.7263  0.5939  0.0566  7   C   C OP1   
2905 O OP2   . C   C 8   ? 1.7106 1.8431 2.4275 0.7685  0.5818  0.0654  7   C   C OP2   
2906 O "O5'" . C   C 8   ? 1.7140 1.8886 2.4601 0.7378  0.5407  0.0157  7   C   C "O5'" 
2907 C "C5'" . C   C 8   ? 1.6610 1.8742 2.4442 0.7147  0.5263  -0.0070 7   C   C "C5'" 
2908 C "C4'" . C   C 8   ? 1.6618 1.8808 2.4206 0.7160  0.4933  -0.0209 7   C   C "C4'" 
2909 O "O4'" . C   C 8   ? 1.6742 1.8126 2.4340 0.7155  0.4681  -0.0441 7   C   C "O4'" 
2910 C "C3'" . C   C 8   ? 1.6684 1.9254 2.3630 0.7420  0.4979  0.0079  7   C   C "C3'" 
2911 O "O3'" . C   C 8   ? 1.6311 1.9703 2.3147 0.7361  0.5039  0.0296  7   C   C "O3'" 
2912 C "C2'" . C   C 8   ? 1.6662 1.8936 2.3409 0.7411  0.4641  -0.0124 7   C   C "C2'" 
2913 O "O2'" . C   C 8   ? 1.6542 1.9239 2.3520 0.7129  0.4340  -0.0278 7   C   C "O2'" 
2914 C "C1'" . C   C 8   ? 1.6942 1.8310 2.3967 0.7312  0.4513  -0.0411 7   C   C "C1'" 
2915 N N1    . C   C 8   ? 1.7355 1.8069 2.3931 0.7621  0.4647  -0.0336 7   C   C N1    
2916 C C2    . C   C 8   ? 1.7598 1.7946 2.3610 0.7758  0.4471  -0.0424 7   C   C C2    
2917 O O2    . C   C 8   ? 1.7540 1.8149 2.3468 0.7590  0.4184  -0.0528 7   C   C O2    
2918 N N3    . C   C 8   ? 1.7859 1.7552 2.3410 0.8067  0.4620  -0.0395 7   C   C N3    
2919 C C4    . C   C 8   ? 1.7926 1.7338 2.3611 0.8208  0.4876  -0.0265 7   C   C C4    
2920 N N4    . C   C 8   ? 1.8163 1.6892 2.3376 0.8456  0.4951  -0.0270 7   C   C N4    
2921 C C5    . C   C 8   ? 1.7912 1.7731 2.4156 0.8005  0.5004  -0.0138 7   C   C C5    
2922 C C6    . C   C 8   ? 1.7475 1.7925 2.4140 0.7766  0.4937  -0.0182 7   C   C C6    
2923 P P     . A   C 9   ? 1.6413 2.0243 2.2704 0.7557  0.5185  0.0742  8   A   C P     
2924 O OP1   . A   C 9   ? 1.5700 2.0316 2.2007 0.7443  0.5214  0.0934  8   A   C OP1   
2925 O OP2   . A   C 9   ? 1.6182 1.9542 2.2341 0.7717  0.5410  0.0898  8   A   C OP2   
2926 O "O5'" . A   C 9   ? 1.5975 1.9818 2.1907 0.7714  0.4997  0.0765  8   A   C "O5'" 
2927 C "C5'" . A   C 9   ? 1.5775 2.0008 2.1804 0.7623  0.4742  0.0659  8   A   C "C5'" 
2928 C "C4'" . A   C 9   ? 1.5915 1.9995 2.1578 0.7812  0.4630  0.0671  8   A   C "C4'" 
2929 O "O4'" . A   C 9   ? 1.6349 1.9522 2.1969 0.7843  0.4575  0.0358  8   A   C "O4'" 
2930 C "C3'" . A   C 9   ? 1.5729 1.9989 2.0905 0.8038  0.4811  0.1032  8   A   C "C3'" 
2931 O "O3'" . A   C 9   ? 1.5497 2.0616 2.0618 0.8012  0.4761  0.1378  8   A   C "O3'" 
2932 C "C2'" . A   C 9   ? 1.6001 1.9714 2.0821 0.8242  0.4780  0.0868  8   A   C "C2'" 
2933 O "O2'" . A   C 9   ? 1.5990 2.0118 2.0752 0.8213  0.4560  0.0871  8   A   C "O2'" 
2934 C "C1'" . A   C 9   ? 1.6373 1.9274 2.1461 0.8161  0.4695  0.0460  8   A   C "C1'" 
2935 N N9    . A   C 9   ? 1.6615 1.8800 2.1577 0.8284  0.4887  0.0415  8   A   C N9    
2936 C C8    . A   C 9   ? 1.6738 1.8738 2.2029 0.8181  0.5009  0.0424  8   A   C C8    
2937 N N7    . A   C 9   ? 1.7036 1.8344 2.2147 0.8348  0.5136  0.0397  8   A   C N7    
2938 C C5    . A   C 9   ? 1.7315 1.8292 2.1898 0.8578  0.5110  0.0326  8   A   C C5    
2939 C C6    . A   C 9   ? 1.7539 1.7737 2.1665 0.8841  0.5205  0.0236  8   A   C C6    
2940 N N6    . A   C 9   ? 1.7213 1.6791 2.1401 0.8917  0.5309  0.0219  8   A   C N6    
2941 N N1    . A   C 9   ? 1.7568 1.7626 2.1138 0.9042  0.5199  0.0164  8   A   C N1    
2942 C C2    . A   C 9   ? 1.7573 1.8271 2.1101 0.8982  0.5090  0.0222  8   A   C C2    
2943 N N3    . A   C 9   ? 1.7425 1.8886 2.1407 0.8738  0.4953  0.0323  8   A   C N3    
2944 C C4    . A   C 9   ? 1.7125 1.8660 2.1605 0.8542  0.4975  0.0350  8   A   C C4    
2945 P P     . G   C 10  ? 1.5807 2.1302 2.0670 0.8174  0.4976  0.1863  9   G   C P     
2946 O OP1   . G   C 10  ? 1.5847 2.2056 2.0906 0.8024  0.4934  0.2131  9   G   C OP1   
2947 O OP2   . G   C 10  ? 1.5854 2.0672 2.0563 0.8348  0.5213  0.1834  9   G   C OP2   
2948 O "O5'" . G   C 10  ? 1.6093 2.1929 2.0667 0.8332  0.4928  0.2065  9   G   C "O5'" 
2949 C "C5'" . G   C 10  ? 1.6176 2.1901 2.0694 0.8331  0.4748  0.1813  9   G   C "C5'" 
2950 C "C4'" . G   C 10  ? 1.6779 2.2209 2.0836 0.8610  0.4907  0.1848  9   G   C "C4'" 
2951 O "O4'" . G   C 10  ? 1.7008 2.1449 2.0869 0.8734  0.5025  0.1492  9   G   C "O4'" 
2952 C "C3'" . G   C 10  ? 1.6884 2.2690 2.0745 0.8796  0.5142  0.2300  9   G   C "C3'" 
2953 O "O3'" . G   C 10  ? 1.7069 2.3196 2.0651 0.8963  0.5189  0.2467  9   G   C "O3'" 
2954 C "C2'" . G   C 10  ? 1.7016 2.2020 2.0678 0.8985  0.5391  0.2166  9   G   C "C2'" 
2955 O "O2'" . G   C 10  ? 1.6340 2.1355 1.9709 0.9269  0.5645  0.2419  9   G   C "O2'" 
2956 C "C1'" . G   C 10  ? 1.7286 2.1472 2.0796 0.8996  0.5306  0.1658  9   G   C "C1'" 
2957 N N9    . G   C 10  ? 1.7226 2.0588 2.0750 0.9042  0.5413  0.1433  9   G   C N9    
2958 C C8    . G   C 10  ? 1.6791 2.0080 2.0709 0.8862  0.5391  0.1413  9   G   C C8    
2959 N N7    . G   C 10  ? 1.6744 1.9270 2.0621 0.8962  0.5501  0.1250  9   G   C N7    
2960 C C5    . G   C 10  ? 1.7353 1.9374 2.0744 0.9228  0.5594  0.1128  9   G   C C5    
2961 C C6    . G   C 10  ? 1.8156 1.9238 2.1266 0.9441  0.5707  0.0916  9   G   C C6    
2962 O O6    . G   C 10  ? 1.8391 1.8919 2.1695 0.9427  0.5729  0.0825  9   G   C O6    
2963 N N1    . G   C 10  ? 1.8771 1.9563 2.1306 0.9699  0.5804  0.0816  9   G   C N1    
2964 C C2    . G   C 10  ? 1.8606 1.9992 2.0898 0.9749  0.5813  0.0942  9   G   C C2    
2965 N N2    . G   C 10  ? 1.9371 2.0348 2.1041 1.0034  0.5968  0.0819  9   G   C N2    
2966 N N3    . G   C 10  ? 1.7813 2.0112 2.0428 0.9544  0.5684  0.1177  9   G   C N3    
2967 C C4    . G   C 10  ? 1.7233 1.9771 2.0376 0.9288  0.5568  0.1239  9   G   C C4    
2968 P P     . C   C 11  ? 2.3141 2.1970 1.8526 0.2720  0.2359  0.0768  10  C   C P     
2969 O OP1   . C   C 11  ? 2.3468 2.2331 1.9281 0.2643  0.2421  0.0382  10  C   C OP1   
2970 O OP2   . C   C 11  ? 2.2427 2.1844 1.7550 0.2753  0.2280  0.0817  10  C   C OP2   
2971 O "O5'" . C   C 11  ? 2.3492 2.1856 1.8797 0.2762  0.2334  0.1036  10  C   C "O5'" 
2972 C "C5'" . C   C 11  ? 2.2892 2.1169 1.7852 0.2856  0.2236  0.1360  10  C   C "C5'" 
2973 C "C4'" . C   C 11  ? 2.2936 2.0951 1.7894 0.2914  0.2227  0.1465  10  C   C "C4'" 
2974 O "O4'" . C   C 11  ? 2.3300 2.1697 1.8455 0.2865  0.2254  0.1242  10  C   C "O4'" 
2975 C "C3'" . C   C 11  ? 2.3340 2.0855 1.8477 0.2902  0.2308  0.1504  10  C   C "C3'" 
2976 O "O3'" . C   C 11  ? 2.3192 2.0266 1.8083 0.2993  0.2251  0.1779  10  C   C "O3'" 
2977 C "C2'" . C   C 11  ? 2.3882 2.1479 1.9191 0.2908  0.2343  0.1457  10  C   C "C2'" 
2978 O "O2'" . C   C 11  ? 2.4311 2.1765 1.9348 0.3055  0.2278  0.1688  10  C   C "O2'" 
2979 C "C1'" . C   C 11  ? 2.3859 2.2015 1.9252 0.2850  0.2319  0.1231  10  C   C "C1'" 
2980 N N1    . C   C 11  ? 2.3926 2.2265 1.9750 0.2714  0.2378  0.0918  10  C   C N1    
2981 C C2    . C   C 11  ? 2.4317 2.2518 2.0531 0.2644  0.2430  0.0879  10  C   C C2    
2982 O O2    . C   C 11  ? 2.4348 2.2305 2.0522 0.2706  0.2456  0.1121  10  C   C O2    
2983 N N3    . C   C 11  ? 2.4363 2.2725 2.1026 0.2515  0.2437  0.0578  10  C   C N3    
2984 C C4    . C   C 11  ? 2.4071 2.2744 2.0756 0.2479  0.2404  0.0278  10  C   C C4    
2985 N N4    . C   C 11  ? 2.3950 2.2757 2.1100 0.2372  0.2381  -0.0061 10  C   C N4    
2986 C C5    . C   C 11  ? 2.3553 2.2452 1.9805 0.2559  0.2376  0.0317  10  C   C C5    
2987 C C6    . C   C 11  ? 2.3561 2.2277 1.9422 0.2660  0.2359  0.0658  10  C   C C6    
2988 P P     . C   C 12  ? 2.3070 1.9674 1.8075 0.2955  0.2314  0.1847  11  C   C P     
2989 O OP1   . C   C 12  ? 2.2524 1.8827 1.7217 0.3038  0.2199  0.2110  11  C   C OP1   
2990 O OP2   . C   C 12  ? 2.2509 1.9284 1.7839 0.2826  0.2408  0.1596  11  C   C OP2   
2991 O "O5'" . C   C 12  ? 2.2603 1.8963 1.7738 0.2988  0.2374  0.1909  11  C   C "O5'" 
2992 C "C5'" . C   C 12  ? 2.2475 1.8705 1.7993 0.2882  0.2484  0.1831  11  C   C "C5'" 
2993 C "C4'" . C   C 12  ? 2.2846 1.9229 1.8601 0.2870  0.2536  0.1815  11  C   C "C4'" 
2994 O "O4'" . C   C 12  ? 2.2877 1.9708 1.8772 0.2816  0.2526  0.1600  11  C   C "O4'" 
2995 C "C3'" . C   C 12  ? 2.3103 1.9359 1.9333 0.2748  0.2626  0.1803  11  C   C "C3'" 
2996 O "O3'" . C   C 12  ? 2.3584 1.9503 1.9736 0.2804  0.2651  0.2052  11  C   C "O3'" 
2997 C "C2'" . C   C 12  ? 2.2898 1.9510 1.9434 0.2695  0.2646  0.1722  11  C   C "C2'" 
2998 O "O2'" . C   C 12  ? 2.2563 1.9225 1.8922 0.2818  0.2653  0.1945  11  C   C "O2'" 
2999 C "C1'" . C   C 12  ? 2.2931 1.9887 1.9293 0.2707  0.2584  0.1514  11  C   C "C1'" 
3000 N N1    . C   C 12  ? 2.3218 2.0359 1.9936 0.2568  0.2583  0.1197  11  C   C N1    
3001 C C2    . C   C 12  ? 2.3432 2.0693 2.0708 0.2434  0.2594  0.1053  11  C   C C2    
3002 O O2    . C   C 12  ? 2.3376 2.0625 2.0865 0.2415  0.2619  0.1239  11  C   C O2    
3003 N N3    . C   C 12  ? 2.3717 2.1133 2.1321 0.2332  0.2561  0.0710  11  C   C N3    
3004 C C4    . C   C 12  ? 2.3562 2.1085 2.0926 0.2370  0.2545  0.0520  11  C   C C4    
3005 N N4    . C   C 12  ? 2.3407 2.1133 2.1097 0.2298  0.2510  0.0142  11  C   C N4    
3006 C C5    . C   C 12  ? 2.3349 2.0807 2.0156 0.2489  0.2548  0.0714  11  C   C C5    
3007 C C6    . C   C 12  ? 2.3257 2.0490 1.9778 0.2578  0.2554  0.1043  11  C   C C6    
3008 P P     . U   C 13  ? 2.4923 2.0529 2.1410 0.2688  0.2710  0.2096  12  U   C P     
3009 O OP1   . U   C 13  ? 2.4730 2.0101 2.1088 0.2768  0.2727  0.2381  12  U   C OP1   
3010 O OP2   . U   C 13  ? 2.4389 1.9881 2.0787 0.2656  0.2685  0.1965  12  U   C OP2   
3011 O "O5'" . U   C 13  ? 2.4471 2.0287 2.1602 0.2522  0.2758  0.1954  12  U   C "O5'" 
3012 C "C5'" . U   C 13  ? 2.4423 2.0446 2.1788 0.2508  0.2784  0.2094  12  U   C "C5'" 
3013 C "C4'" . U   C 13  ? 2.4377 2.0487 2.2466 0.2317  0.2796  0.2015  12  U   C "C4'" 
3014 O "O4'" . U   C 13  ? 2.4597 2.1010 2.2900 0.2248  0.2743  0.1717  12  U   C "O4'" 
3015 C "C3'" . U   C 13  ? 2.4185 1.9992 2.2645 0.2202  0.2801  0.1931  12  U   C "C3'" 
3016 O "O3'" . U   C 13  ? 2.4094 1.9635 2.2596 0.2202  0.2847  0.2236  12  U   C "O3'" 
3017 C "C2'" . U   C 13  ? 2.3994 1.9978 2.3167 0.2034  0.2753  0.1729  12  U   C "C2'" 
3018 O "O2'" . U   C 13  ? 2.3592 1.9650 2.3235 0.1941  0.2762  0.2015  12  U   C "O2'" 
3019 C "C1'" . U   C 13  ? 2.4655 2.1011 2.3610 0.2080  0.2711  0.1527  12  U   C "C1'" 
3020 N N1    . U   C 13  ? 2.5044 2.1481 2.3951 0.2075  0.2662  0.1122  12  U   C N1    
3021 C C2    . U   C 13  ? 2.5322 2.1857 2.4856 0.1942  0.2587  0.0830  12  U   C C2    
3022 O O2    . U   C 13  ? 2.5012 2.1533 2.5141 0.1816  0.2549  0.0932  12  U   C O2    
3023 N N3    . U   C 13  ? 2.5715 2.2397 2.5185 0.1964  0.2540  0.0421  12  U   C N3    
3024 C C4    . U   C 13  ? 2.5744 2.2527 2.4605 0.2089  0.2571  0.0335  12  U   C C4    
3025 O O4    . U   C 13  ? 2.5658 2.2668 2.4528 0.2105  0.2530  -0.0032 12  U   C O4    
3026 C C5    . U   C 13  ? 2.5563 2.2199 2.3851 0.2198  0.2635  0.0696  12  U   C C5    
3027 C C6    . U   C 13  ? 2.5157 2.1610 2.3473 0.2198  0.2672  0.1043  12  U   C C6    
3028 P P     . G   C 14  ? 2.3207 1.8348 2.1719 0.2177  0.2860  0.2225  13  G   C P     
3029 O OP1   . G   C 14  ? 2.2058 1.7027 2.0825 0.2127  0.2899  0.2559  13  G   C OP1   
3030 O OP2   . G   C 14  ? 2.2815 1.7852 2.0680 0.2313  0.2843  0.2162  13  G   C OP2   
3031 O "O5'" . G   C 14  ? 2.2315 1.7475 2.1424 0.2038  0.2825  0.1885  13  G   C "O5'" 
3032 C "C5'" . G   C 14  ? 2.1512 1.6414 2.1159 0.1926  0.2827  0.1912  13  G   C "C5'" 
3033 C "C4'" . G   C 14  ? 2.1160 1.6175 2.1611 0.1765  0.2770  0.1879  13  G   C "C4'" 
3034 O "O4'" . G   C 14  ? 2.1737 1.7100 2.2209 0.1761  0.2717  0.1656  13  G   C "O4'" 
3035 C "C3'" . G   C 14  ? 2.0587 1.5420 2.1699 0.1660  0.2709  0.1614  13  G   C "C3'" 
3036 O "O3'" . G   C 14  ? 1.9761 1.4295 2.1214 0.1590  0.2731  0.1884  13  G   C "O3'" 
3037 C "C2'" . G   C 14  ? 2.0486 1.5548 2.2235 0.1540  0.2598  0.1424  13  G   C "C2'" 
3038 O "O2'" . G   C 14  ? 1.9561 1.4648 2.1838 0.1409  0.2575  0.1809  13  G   C "O2'" 
3039 C "C1'" . G   C 14  ? 2.1332 1.6731 2.2497 0.1638  0.2615  0.1335  13  G   C "C1'" 
3040 N N9    . G   C 14  ? 2.2204 1.7717 2.3058 0.1726  0.2593  0.0887  13  G   C N9    
3041 C C8    . G   C 14  ? 2.2648 1.8213 2.2725 0.1875  0.2662  0.0886  13  G   C C8    
3042 N N7    . G   C 14  ? 2.3126 1.8881 2.3061 0.1930  0.2632  0.0500  13  G   C N7    
3043 C C5    . G   C 14  ? 2.3309 1.9113 2.3950 0.1827  0.2533  0.0180  13  G   C C5    
3044 C C6    . G   C 14  ? 2.4045 2.0079 2.4855 0.1854  0.2454  -0.0336 13  G   C C6    
3045 O O6    . G   C 14  ? 2.4290 2.0583 2.4623 0.1970  0.2480  -0.0561 13  G   C O6    
3046 N N1    . G   C 14  ? 2.4016 1.9987 2.5645 0.1735  0.2322  -0.0570 13  G   C N1    
3047 C C2    . G   C 14  ? 2.3326 1.9065 2.5581 0.1586  0.2271  -0.0288 13  G   C C2    
3048 N N2    . G   C 14  ? 2.3541 1.9238 2.6627 0.1475  0.2102  -0.0569 13  G   C N2    
3049 N N3    . G   C 14  ? 2.2408 1.8000 2.4496 0.1555  0.2364  0.0237  13  G   C N3    
3050 C C4    . G   C 14  ? 2.2576 1.8203 2.3829 0.1690  0.2494  0.0417  13  G   C C4    
3051 P P     . A   C 27  ? 2.1085 1.5376 1.7692 0.2488  0.2756  0.2199  26  A   C P     
3052 O OP1   . A   C 27  ? 2.0733 1.5086 1.7145 0.2524  0.2713  0.2215  26  A   C OP1   
3053 O OP2   . A   C 27  ? 2.0254 1.4488 1.7425 0.2409  0.2845  0.2002  26  A   C OP2   
3054 O "O5'" . A   C 27  ? 2.1747 1.6498 1.8160 0.2535  0.2735  0.2079  26  A   C "O5'" 
3055 C "C5'" . A   C 27  ? 2.1981 1.6859 1.7939 0.2597  0.2626  0.2280  26  A   C "C5'" 
3056 C "C4'" . A   C 27  ? 2.2429 1.7608 1.8280 0.2615  0.2605  0.2357  26  A   C "C4'" 
3057 O "O4'" . A   C 27  ? 2.2609 1.7524 1.8666 0.2580  0.2655  0.2453  26  A   C "O4'" 
3058 C "C3'" . A   C 27  ? 2.2662 1.8493 1.8628 0.2635  0.2672  0.2028  26  A   C "C3'" 
3059 O "O3'" . A   C 27  ? 2.2856 1.9094 1.8535 0.2673  0.2596  0.2048  26  A   C "O3'" 
3060 C "C2'" . A   C 27  ? 2.2784 1.8789 1.8824 0.2645  0.2709  0.2103  26  A   C "C2'" 
3061 O "O2'" . A   C 27  ? 2.2819 1.9035 1.8533 0.2667  0.2603  0.2442  26  A   C "O2'" 
3062 C "C1'" . A   C 27  ? 2.2606 1.7974 1.8815 0.2597  0.2726  0.2284  26  A   C "C1'" 
3063 N N9    . A   C 27  ? 2.2399 1.7676 1.9080 0.2570  0.2843  0.1982  26  A   C N9    
3064 C C8    . A   C 27  ? 2.2121 1.6985 1.9074 0.2512  0.2870  0.1920  26  A   C C8    
3065 N N7    . A   C 27  ? 2.2308 1.7148 1.9741 0.2488  0.2947  0.1666  26  A   C N7    
3066 C C5    . A   C 27  ? 2.2858 1.8129 2.0303 0.2555  0.2984  0.1514  26  A   C C5    
3067 C C6    . A   C 27  ? 2.3094 1.8565 2.0955 0.2595  0.3057  0.1195  26  A   C C6    
3068 N N6    . A   C 27  ? 2.2827 1.8017 2.1226 0.2552  0.3084  0.0981  26  A   C N6    
3069 N N1    . A   C 27  ? 2.3158 1.9164 2.0889 0.2691  0.3088  0.1111  26  A   C N1    
3070 C C2    . A   C 27  ? 2.2851 1.9162 2.0100 0.2716  0.3041  0.1380  26  A   C C2    
3071 N N3    . A   C 27  ? 2.2756 1.8869 1.9627 0.2670  0.2949  0.1701  26  A   C N3    
3072 C C4    . A   C 27  ? 2.2681 1.8260 1.9659 0.2601  0.2929  0.1728  26  A   C C4    
3073 P P     . C   C 28  ? 2.3161 2.0026 1.8933 0.2693  0.2647  0.1640  27  C   C P     
3074 O OP1   . C   C 28  ? 2.2861 2.0093 1.8292 0.2726  0.2543  0.1799  27  C   C OP1   
3075 O OP2   . C   C 28  ? 2.3161 1.9786 1.9253 0.2653  0.2706  0.1355  27  C   C OP2   
3076 O "O5'" . C   C 28  ? 2.3644 2.1006 1.9581 0.2727  0.2729  0.1430  27  C   C "O5'" 
3077 C "C5'" . C   C 28  ? 2.4192 2.1546 2.0546 0.2728  0.2827  0.1030  27  C   C "C5'" 
3078 C "C4'" . C   C 28  ? 2.4588 2.2460 2.1042 0.2802  0.2893  0.0850  27  C   C "C4'" 
3079 O "O4'" . C   C 28  ? 2.4397 2.1839 2.1128 0.2786  0.2949  0.0911  27  C   C "O4'" 
3080 C "C3'" . C   C 28  ? 2.5239 2.3628 2.1950 0.2865  0.2936  0.0275  27  C   C "C3'" 
3081 O "O3'" . C   C 28  ? 2.5148 2.4261 2.1576 0.2918  0.2903  0.0183  27  C   C "O3'" 
3082 C "C2'" . C   C 28  ? 2.5042 2.3560 2.2038 0.2938  0.3017  0.0084  27  C   C "C2'" 
3083 O "O2'" . C   C 28  ? 2.4963 2.4168 2.1698 0.3029  0.3042  0.0201  27  C   C "O2'" 
3084 C "C1'" . C   C 28  ? 2.4632 2.2380 2.1728 0.2856  0.3025  0.0462  27  C   C "C1'" 
3085 N N1    . C   C 28  ? 2.4643 2.1810 2.2216 0.2791  0.3038  0.0262  27  C   C N1    
3086 C C2    . C   C 28  ? 2.4578 2.1780 2.2658 0.2840  0.3079  -0.0155 27  C   C C2    
3087 O O2    . C   C 28  ? 2.4456 2.2223 2.2563 0.2966  0.3120  -0.0424 27  C   C O2    
3088 N N3    . C   C 28  ? 2.4564 2.1214 2.3130 0.2757  0.3062  -0.0254 27  C   C N3    
3089 C C4    . C   C 28  ? 2.4408 2.0550 2.2936 0.2636  0.3027  0.0051  27  C   C C4    
3090 N N4    . C   C 28  ? 2.4457 2.0144 2.3503 0.2547  0.3009  -0.0005 27  C   C N4    
3091 C C5    . C   C 28  ? 2.4155 2.0268 2.2134 0.2610  0.2999  0.0436  27  C   C C5    
3092 C C6    . C   C 28  ? 2.4234 2.0824 2.1778 0.2686  0.2995  0.0522  27  C   C C6    
3093 P P     . C   C 29  ? 2.5273 2.4620 2.1771 0.2907  0.2860  -0.0203 28  C   C P     
3094 O OP1   . C   C 29  ? 2.3932 2.3871 2.0020 0.2929  0.2804  -0.0039 28  C   C OP1   
3095 O OP2   . C   C 29  ? 2.5431 2.4049 2.2161 0.2807  0.2837  -0.0175 28  C   C OP2   
3096 O "O5'" . C   C 29  ? 2.5482 2.5284 2.2333 0.3004  0.2901  -0.0824 28  C   C "O5'" 
3097 C "C5'" . C   C 29  ? 2.5321 2.5809 2.2089 0.3135  0.2955  -0.0956 28  C   C "C5'" 
3098 C "C4'" . C   C 29  ? 2.5376 2.5883 2.2616 0.3227  0.2992  -0.1492 28  C   C "C4'" 
3099 O "O4'" . C   C 29  ? 2.5377 2.5126 2.2904 0.3167  0.3029  -0.1292 28  C   C "O4'" 
3100 C "C3'" . C   C 29  ? 2.5563 2.5976 2.3193 0.3215  0.2917  -0.2045 28  C   C "C3'" 
3101 O "O3'" . C   C 29  ? 2.5570 2.6819 2.3078 0.3326  0.2880  -0.2475 28  C   C "O3'" 
3102 C "C2'" . C   C 29  ? 2.5471 2.5444 2.3670 0.3246  0.2931  -0.2334 28  C   C "C2'" 
3103 O "O2'" . C   C 29  ? 2.5165 2.5779 2.3453 0.3440  0.2966  -0.2760 28  C   C "O2'" 
3104 C "C1'" . C   C 29  ? 2.5488 2.4887 2.3586 0.3166  0.3000  -0.1747 28  C   C "C1'" 
3105 N N1    . C   C 29  ? 2.5482 2.4039 2.3773 0.2996  0.2964  -0.1470 28  C   C N1    
3106 C C2    . C   C 29  ? 2.5550 2.3570 2.4454 0.2937  0.2927  -0.1688 28  C   C C2    
3107 O O2    . C   C 29  ? 2.5367 2.3551 2.4699 0.3033  0.2906  -0.2170 28  C   C O2    
3108 N N3    . C   C 29  ? 2.5730 2.3091 2.4768 0.2782  0.2903  -0.1357 28  C   C N3    
3109 C C4    . C   C 29  ? 2.5679 2.2881 2.4256 0.2711  0.2913  -0.0886 28  C   C C4    
3110 N N4    . C   C 29  ? 2.5567 2.2199 2.4280 0.2587  0.2894  -0.0595 28  C   C N4    
3111 C C5    . C   C 29  ? 2.5605 2.3270 2.3584 0.2775  0.2931  -0.0687 28  C   C C5    
3112 C C6    . C   C 29  ? 2.5501 2.3830 2.3380 0.2902  0.2956  -0.0966 28  C   C C6    
3113 P P     . C   C 30  ? 2.5793 2.7099 2.3392 0.3259  0.2766  -0.2781 29  C   C P     
3114 O OP1   . C   C 30  ? 2.5516 2.7826 2.2843 0.3389  0.2742  -0.3109 29  C   C OP1   
3115 O OP2   . C   C 30  ? 2.5916 2.6654 2.3347 0.3090  0.2747  -0.2274 29  C   C OP2   
3116 O "O5'" . C   C 30  ? 2.5745 2.6602 2.4040 0.3254  0.2687  -0.3317 29  C   C "O5'" 
3117 C "C5'" . C   C 30  ? 2.5871 2.5829 2.4557 0.3097  0.2661  -0.3105 29  C   C "C5'" 
3118 C "C4'" . C   C 30  ? 2.5752 2.5379 2.5147 0.3126  0.2590  -0.3569 29  C   C "C4'" 
3119 O "O4'" . C   C 30  ? 2.5784 2.4732 2.5408 0.3058  0.2657  -0.3210 29  C   C "O4'" 
3120 C "C3'" . C   C 30  ? 2.5768 2.5067 2.5696 0.3009  0.2433  -0.3848 29  C   C "C3'" 
3121 O "O3'" . C   C 30  ? 2.5621 2.5524 2.5599 0.3103  0.2318  -0.4430 29  C   C "O3'" 
3122 C "C2'" . C   C 30  ? 2.5664 2.4330 2.6306 0.2972  0.2387  -0.3955 29  C   C "C2'" 
3123 O "O2'" . C   C 30  ? 2.5444 2.4421 2.6454 0.3150  0.2315  -0.4598 29  C   C "O2'" 
3124 C "C1'" . C   C 30  ? 2.5735 2.4107 2.6078 0.2963  0.2551  -0.3402 29  C   C "C1'" 
3125 N N1    . C   C 30  ? 2.5802 2.3515 2.6158 0.2772  0.2579  -0.2816 29  C   C N1    
3126 C C2    . C   C 30  ? 2.5717 2.2822 2.6744 0.2634  0.2496  -0.2775 29  C   C C2    
3127 O O2    . C   C 30  ? 2.5473 2.2519 2.7157 0.2656  0.2370  -0.3244 29  C   C O2    
3128 N N3    . C   C 30  ? 2.5814 2.2436 2.6784 0.2483  0.2538  -0.2218 29  C   C N3    
3129 C C4    . C   C 30  ? 2.5907 2.2570 2.6198 0.2479  0.2642  -0.1758 29  C   C C4    
3130 N N4    . C   C 30  ? 2.5964 2.2182 2.6204 0.2359  0.2672  -0.1263 29  C   C N4    
3131 C C5    . C   C 30  ? 2.5904 2.3105 2.5560 0.2605  0.2705  -0.1785 29  C   C C5    
3132 C C6    . C   C 30  ? 2.5841 2.3571 2.5552 0.2741  0.2679  -0.2289 29  C   C C6    
3133 P P     . A   C 31  ? 2.5682 2.5759 2.5532 0.2991  0.2218  -0.4434 30  A   C P     
3134 O OP1   . A   C 31  ? 2.4825 2.5766 2.4443 0.3144  0.2156  -0.4949 30  A   C OP1   
3135 O OP2   . A   C 31  ? 2.5781 2.5604 2.5168 0.2864  0.2322  -0.3737 30  A   C OP2   
3136 O "O5'" . A   C 31  ? 2.5696 2.5182 2.6368 0.2853  0.2041  -0.4663 30  A   C "O5'" 
3137 C "C5'" . A   C 31  ? 2.5467 2.4620 2.6824 0.2899  0.1954  -0.5028 30  A   C "C5'" 
3138 C "C4'" . A   C 31  ? 2.5560 2.3950 2.7607 0.2694  0.1854  -0.4805 30  A   C "C4'" 
3139 O "O4'" . A   C 31  ? 2.5544 2.3398 2.7627 0.2638  0.1988  -0.4304 30  A   C "O4'" 
3140 C "C3'" . A   C 31  ? 2.5961 2.4203 2.7940 0.2501  0.1822  -0.4422 30  A   C "C3'" 
3141 O "O3'" . A   C 31  ? 2.6076 2.4664 2.8225 0.2483  0.1646  -0.4834 30  A   C "O3'" 
3142 C "C2'" . A   C 31  ? 2.6011 2.3523 2.8624 0.2329  0.1787  -0.4069 30  A   C "C2'" 
3143 O "O2'" . A   C 31  ? 2.5931 2.3233 2.9449 0.2287  0.1555  -0.4520 30  A   C "O2'" 
3144 C "C1'" . A   C 31  ? 2.5798 2.3108 2.8227 0.2421  0.1949  -0.3867 30  A   C "C1'" 
3145 N N9    . A   C 31  ? 2.5959 2.3098 2.7784 0.2362  0.2137  -0.3184 30  A   C N9    
3146 C C8    . A   C 31  ? 2.6057 2.3524 2.7058 0.2454  0.2289  -0.2942 30  A   C C8    
3147 N N7    . A   C 31  ? 2.6190 2.3341 2.6862 0.2376  0.2397  -0.2348 30  A   C N7    
3148 C C5    . A   C 31  ? 2.5928 2.2567 2.7207 0.2225  0.2334  -0.2169 30  A   C C5    
3149 C C6    . A   C 31  ? 2.5598 2.1801 2.6887 0.2106  0.2392  -0.1608 30  A   C C6    
3150 N N6    . A   C 31  ? 2.5415 2.1561 2.6061 0.2130  0.2517  -0.1150 30  A   C N6    
3151 N N1    . A   C 31  ? 2.5417 2.1267 2.7435 0.1963  0.2299  -0.1529 30  A   C N1    
3152 C C2    . A   C 31  ? 2.5566 2.1432 2.8293 0.1936  0.2135  -0.1994 30  A   C C2    
3153 N N3    . A   C 31  ? 2.5716 2.1923 2.8511 0.2053  0.2049  -0.2591 30  A   C N3    
3154 C C4    . A   C 31  ? 2.5885 2.2506 2.7902 0.2202  0.2169  -0.2652 30  A   C C4    
3155 P P     . C   C 32  ? 2.6557 2.5358 2.8278 0.2368  0.1666  -0.4491 31  C   C P     
3156 O OP1   . C   C 32  ? 2.6545 2.6022 2.8065 0.2461  0.1558  -0.4996 31  C   C OP1   
3157 O OP2   . C   C 32  ? 2.6412 2.5114 2.7465 0.2362  0.1889  -0.3847 31  C   C OP2   
3158 O "O5'" . C   C 32  ? 2.6732 2.5018 2.9200 0.2148  0.1517  -0.4307 31  C   C "O5'" 
3159 C "C5'" . C   C 32  ? 2.6534 2.4492 2.9924 0.2094  0.1306  -0.4674 31  C   C "C5'" 
3160 C "C4'" . C   C 32  ? 2.6557 2.3929 3.0542 0.1880  0.1269  -0.4179 31  C   C "C4'" 
3161 O "O4'" . C   C 32  ? 2.6475 2.3468 3.0321 0.1895  0.1452  -0.3760 31  C   C "O4'" 
3162 C "C3'" . C   C 32  ? 2.6734 2.4153 3.0480 0.1735  0.1322  -0.3658 31  C   C "C3'" 
3163 O "O3'" . C   C 32  ? 2.6794 2.4415 3.0951 0.1634  0.1107  -0.3904 31  C   C "O3'" 
3164 C "C2'" . C   C 32  ? 2.6661 2.3552 3.0754 0.1598  0.1392  -0.3073 31  C   C "C2'" 
3165 O "O2'" . C   C 32  ? 2.6543 2.3128 3.1672 0.1439  0.1162  -0.3158 31  C   C "O2'" 
3166 C "C1'" . C   C 32  ? 2.6560 2.3264 3.0411 0.1734  0.1534  -0.3098 31  C   C "C1'" 
3167 N N1    . C   C 32  ? 2.6372 2.3170 2.9301 0.1820  0.1785  -0.2676 31  C   C N1    
3168 C C2    . C   C 32  ? 2.5923 2.2395 2.8709 0.1741  0.1917  -0.2044 31  C   C C2    
3169 O O2    . C   C 32  ? 2.5669 2.1819 2.9093 0.1589  0.1847  -0.1788 31  C   C O2    
3170 N N3    . C   C 32  ? 2.5710 2.2258 2.7672 0.1837  0.2105  -0.1725 31  C   C N3    
3171 C C4    . C   C 32  ? 2.5928 2.2863 2.7268 0.1984  0.2163  -0.1951 31  C   C C4    
3172 N N4    . C   C 32  ? 2.5786 2.2767 2.6396 0.2063  0.2312  -0.1606 31  C   C N4    
3173 C C5    . C   C 32  ? 2.6222 2.3558 2.7674 0.2063  0.2054  -0.2549 31  C   C C5    
3174 C C6    . C   C 32  ? 2.6365 2.3607 2.8593 0.1986  0.1869  -0.2910 31  C   C C6    
3175 P P     . A   C 33  ? 2.6866 2.4929 3.0440 0.1608  0.1162  -0.3698 32  A   C P     
3176 O OP1   . A   C 33  ? 2.6753 2.5124 3.0722 0.1569  0.0909  -0.4210 32  A   C OP1   
3177 O OP2   . A   C 33  ? 2.7031 2.5372 2.9616 0.1769  0.1401  -0.3537 32  A   C OP2   
3178 O "O5'" . A   C 33  ? 2.6782 2.4547 3.0599 0.1425  0.1212  -0.3013 32  A   C "O5'" 
3179 C "C5'" . A   C 33  ? 2.6634 2.3999 3.1396 0.1252  0.1058  -0.2875 32  A   C "C5'" 
3180 C "C4'" . A   C 33  ? 2.6564 2.3681 3.1288 0.1157  0.1217  -0.2146 32  A   C "C4'" 
3181 O "O4'" . A   C 33  ? 2.6559 2.3382 3.0971 0.1253  0.1396  -0.1975 32  A   C "O4'" 
3182 C "C3'" . A   C 33  ? 2.6253 2.3664 3.0259 0.1185  0.1387  -0.1722 32  A   C "C3'" 
3183 O "O3'" . A   C 33  ? 2.6590 2.4253 3.0944 0.1054  0.1252  -0.1638 32  A   C "O3'" 
3184 C "C2'" . A   C 33  ? 2.6209 2.3322 3.0043 0.1180  0.1574  -0.1134 32  A   C "C2'" 
3185 O "O2'" . A   C 33  ? 2.5973 2.2931 3.0587 0.0993  0.1482  -0.0764 32  A   C "O2'" 
3186 C "C1'" . A   C 33  ? 2.6312 2.3112 3.0171 0.1264  0.1608  -0.1376 32  A   C "C1'" 
3187 N N9    . A   C 33  ? 2.6138 2.3046 2.9060 0.1455  0.1797  -0.1411 32  A   C N9    
3188 C C8    . A   C 33  ? 2.6276 2.3416 2.8826 0.1597  0.1796  -0.1887 32  A   C C8    
3189 N N7    . A   C 33  ? 2.6080 2.3303 2.7842 0.1733  0.1970  -0.1731 32  A   C N7    
3190 C C5    . A   C 33  ? 2.5661 2.2652 2.7243 0.1691  0.2085  -0.1155 32  A   C C5    
3191 C C6    . A   C 33  ? 2.5184 2.2101 2.6060 0.1787  0.2252  -0.0769 32  A   C C6    
3192 N N6    . A   C 33  ? 2.5306 2.2373 2.5546 0.1927  0.2330  -0.0858 32  A   C N6    
3193 N N1    . A   C 33  ? 2.5154 2.1864 2.6025 0.1738  0.2318  -0.0276 32  A   C N1    
3194 C C2    . A   C 33  ? 2.5187 2.1825 2.6727 0.1590  0.2239  -0.0132 32  A   C C2    
3195 N N3    . A   C 33  ? 2.5408 2.2091 2.7694 0.1465  0.2073  -0.0411 32  A   C N3    
3196 C C4    . A   C 33  ? 2.5726 2.2559 2.7990 0.1528  0.1995  -0.0951 32  A   C C4    
3197 P P     . G   C 34  ? 2.5562 2.3737 2.9273 0.1130  0.1281  -0.1753 33  G   C P     
3198 O OP1   . G   C 34  ? 2.5144 2.3526 2.9513 0.0979  0.1035  -0.1942 33  G   C OP1   
3199 O OP2   . G   C 34  ? 2.5763 2.4104 2.8766 0.1321  0.1370  -0.2131 33  G   C OP2   
3200 O "O5'" . G   C 34  ? 2.5184 2.3431 2.8368 0.1159  0.1494  -0.1104 33  G   C "O5'" 
3201 C "C5'" . G   C 34  ? 2.4758 2.2941 2.8444 0.1018  0.1481  -0.0609 33  G   C "C5'" 
3202 C "C4'" . G   C 34  ? 2.4597 2.2626 2.7827 0.1100  0.1707  -0.0081 33  G   C "C4'" 
3203 O "O4'" . G   C 34  ? 2.4845 2.2508 2.7854 0.1187  0.1793  -0.0191 33  G   C "O4'" 
3204 C "C3'" . G   C 34  ? 2.4316 2.2604 2.6651 0.1266  0.1878  0.0130  33  G   C "C3'" 
3205 O "O3'" . G   C 34  ? 2.4277 2.2912 2.6715 0.1219  0.1867  0.0428  33  G   C "O3'" 
3206 C "C2'" . G   C 34  ? 2.4367 2.2345 2.6287 0.1372  0.2056  0.0449  33  G   C "C2'" 
3207 O "O2'" . G   C 34  ? 2.4309 2.2250 2.6593 0.1294  0.2097  0.0939  33  G   C "O2'" 
3208 C "C1'" . G   C 34  ? 2.4667 2.2292 2.6885 0.1340  0.2001  0.0125  33  G   C "C1'" 
3209 N N9    . G   C 34  ? 2.4776 2.2418 2.6340 0.1495  0.2059  -0.0208 33  G   C N9    
3210 C C8    . G   C 34  ? 2.5015 2.2775 2.6640 0.1516  0.1959  -0.0743 33  G   C C8    
3211 N N7    . G   C 34  ? 2.4897 2.2738 2.5846 0.1667  0.2052  -0.0868 33  G   C N7    
3212 C C5    . G   C 34  ? 2.4731 2.2437 2.5168 0.1744  0.2203  -0.0404 33  G   C C5    
3213 C C6    . G   C 34  ? 2.4551 2.2241 2.4235 0.1897  0.2319  -0.0276 33  G   C C6    
3214 O O6    . G   C 34  ? 2.4331 2.2177 2.3641 0.1987  0.2328  -0.0513 33  G   C O6    
3215 N N1    . G   C 34  ? 2.4471 2.1977 2.3866 0.1946  0.2416  0.0190  33  G   C N1    
3216 C C2    . G   C 34  ? 2.4410 2.1836 2.4158 0.1869  0.2426  0.0507  33  G   C C2    
3217 N N2    . G   C 34  ? 2.4137 2.1447 2.3494 0.1965  0.2523  0.0903  33  G   C N2    
3218 N N3    . G   C 34  ? 2.4462 2.1952 2.4923 0.1714  0.2332  0.0445  33  G   C N3    
3219 C C4    . G   C 34  ? 2.4654 2.2247 2.5438 0.1654  0.2213  -0.0019 33  G   C C4    
3220 P P     . G   C 35  ? 2.4338 2.3362 2.6036 0.1367  0.1943  0.0442  34  G   C P     
3221 O OP1   . G   C 35  ? 2.4610 2.4014 2.6685 0.1270  0.1873  0.0661  34  G   C OP1   
3222 O OP2   . G   C 35  ? 2.4628 2.3713 2.5947 0.1441  0.1898  -0.0049 34  G   C OP2   
3223 O "O5'" . G   C 35  ? 2.4064 2.2953 2.5070 0.1551  0.2148  0.0822  34  G   C "O5'" 
3224 C "C5'" . G   C 35  ? 2.3979 2.2811 2.5171 0.1540  0.2232  0.1293  34  G   C "C5'" 
3225 C "C4'" . G   C 35  ? 2.3877 2.2597 2.4317 0.1754  0.2395  0.1539  34  G   C "C4'" 
3226 O "O4'" . G   C 35  ? 2.3931 2.2210 2.4168 0.1791  0.2436  0.1423  34  G   C "O4'" 
3227 C "C3'" . G   C 35  ? 2.3486 2.2405 2.3199 0.1936  0.2430  0.1445  34  G   C "C3'" 
3228 O "O3'" . G   C 35  ? 2.3235 2.2573 2.2910 0.1986  0.2439  0.1647  34  G   C "O3'" 
3229 C "C2'" . G   C 35  ? 2.3516 2.2105 2.2627 0.2108  0.2533  0.1569  34  G   C "C2'" 
3230 O "O2'" . G   C 35  ? 2.3387 2.1994 2.2435 0.2195  0.2622  0.1969  34  G   C "O2'" 
3231 C "C1'" . G   C 35  ? 2.3829 2.2042 2.3269 0.1989  0.2511  0.1403  34  G   C "C1'" 
3232 N N9    . G   C 35  ? 2.3614 2.1810 2.2889 0.1986  0.2449  0.0985  34  G   C N9    
3233 C C8    . G   C 35  ? 2.3713 2.1982 2.3474 0.1846  0.2338  0.0621  34  G   C C8    
3234 N N7    . G   C 35  ? 2.3684 2.2023 2.3127 0.1902  0.2311  0.0290  34  G   C N7    
3235 C C5    . G   C 35  ? 2.3383 2.1676 2.2124 0.2068  0.2400  0.0483  34  G   C C5    
3236 C C6    . G   C 35  ? 2.3130 2.1510 2.1324 0.2178  0.2405  0.0340  34  G   C C6    
3237 O O6    . G   C 35  ? 2.2917 2.1496 2.1100 0.2162  0.2353  -0.0001 34  G   C O6    
3238 N N1    . G   C 35  ? 2.3030 2.1283 2.0673 0.2325  0.2465  0.0647  34  G   C N1    
3239 C C2    . G   C 35  ? 2.3032 2.1120 2.0613 0.2387  0.2520  0.0994  34  G   C C2    
3240 N N2    . G   C 35  ? 2.2840 2.0800 1.9874 0.2551  0.2540  0.1207  34  G   C N2    
3241 N N3    . G   C 35  ? 2.3160 2.1236 2.1205 0.2298  0.2539  0.1131  34  G   C N3    
3242 C C4    . G   C 35  ? 2.3397 2.1573 2.2026 0.2129  0.2475  0.0885  34  G   C C4    
3243 P P     . G   C 36  ? 2.2691 2.2382 2.2099 0.2028  0.2371  0.1410  35  G   C P     
3244 O OP1   . G   C 36  ? 2.2171 2.2299 2.1690 0.2058  0.2383  0.1673  35  G   C OP1   
3245 O OP2   . G   C 36  ? 2.2853 2.2523 2.2599 0.1870  0.2245  0.0989  35  G   C OP2   
3246 O "O5'" . G   C 36  ? 2.2247 2.1788 2.0836 0.2250  0.2434  0.1382  35  G   C "O5'" 
3247 C "C5'" . G   C 36  ? 2.1876 2.1350 2.0036 0.2450  0.2526  0.1689  35  G   C "C5'" 
3248 C "C4'" . G   C 36  ? 2.1824 2.1103 1.9316 0.2626  0.2526  0.1620  35  G   C "C4'" 
3249 O "O4'" . G   C 36  ? 2.2144 2.1082 1.9608 0.2554  0.2512  0.1424  35  G   C "O4'" 
3250 C "C3'" . G   C 36  ? 2.1284 2.0868 1.8480 0.2687  0.2455  0.1474  35  G   C "C3'" 
3251 O "O3'" . G   C 36  ? 2.0856 2.0722 1.7870 0.2840  0.2466  0.1669  35  G   C "O3'" 
3252 C "C2'" . G   C 36  ? 2.1341 2.0643 1.8066 0.2775  0.2432  0.1393  35  G   C "C2'" 
3253 O "O2'" . G   C 36  ? 2.1067 2.0156 1.7364 0.2985  0.2451  0.1627  35  G   C "O2'" 
3254 C "C1'" . G   C 36  ? 2.1842 2.0798 1.8831 0.2646  0.2465  0.1295  35  G   C "C1'" 
3255 N N9    . G   C 36  ? 2.1921 2.0983 1.9084 0.2510  0.2409  0.0956  35  G   C N9    
3256 C C8    . G   C 36  ? 2.2009 2.1155 1.9718 0.2333  0.2373  0.0715  35  G   C C8    
3257 N N7    . G   C 36  ? 2.1858 2.1124 1.9545 0.2287  0.2319  0.0391  35  G   C N7    
3258 C C5    . G   C 36  ? 2.1867 2.1158 1.8973 0.2424  0.2328  0.0472  35  G   C C5    
3259 C C6    . G   C 36  ? 2.1801 2.1292 1.8628 0.2449  0.2291  0.0278  35  G   C C6    
3260 O O6    . G   C 36  ? 2.1611 2.1324 1.8616 0.2375  0.2251  -0.0060 35  G   C O6    
3261 N N1    . G   C 36  ? 2.1973 2.1429 1.8284 0.2586  0.2288  0.0519  35  G   C N1    
3262 C C2    . G   C 36  ? 2.2002 2.1216 1.8086 0.2705  0.2306  0.0846  35  G   C C2    
3263 N N2    . G   C 36  ? 2.2137 2.1306 1.7783 0.2831  0.2258  0.1034  35  G   C N2    
3264 N N3    . G   C 36  ? 2.1763 2.0821 1.8058 0.2709  0.2353  0.0987  35  G   C N3    
3265 C C4    . G   C 36  ? 2.1858 2.0984 1.8661 0.2557  0.2369  0.0814  35  G   C C4    
3266 P P     . C   C 37  ? 2.0443 2.0783 1.7423 0.2839  0.2390  0.1565  36  C   C P     
3267 O OP1   . C   C 37  ? 2.0318 2.0908 1.7182 0.3017  0.2425  0.1814  36  C   C OP1   
3268 O OP2   . C   C 37  ? 1.9926 2.0476 1.7401 0.2601  0.2332  0.1328  36  C   C OP2   
3269 O "O5'" . C   C 37  ? 2.0113 2.0364 1.6591 0.2934  0.2323  0.1450  36  C   C "O5'" 
3270 C "C5'" . C   C 37  ? 1.9897 2.0091 1.5920 0.3164  0.2298  0.1623  36  C   C "C5'" 
3271 C "C4'" . C   C 37  ? 1.9794 1.9872 1.5463 0.3196  0.2214  0.1548  36  C   C "C4'" 
3272 O "O4'" . C   C 37  ? 2.0334 2.0168 1.6094 0.3057  0.2236  0.1396  36  C   C "O4'" 
3273 C "C3'" . C   C 37  ? 1.9091 1.9618 1.4710 0.3147  0.2124  0.1432  36  C   C "C3'" 
3274 O "O3'" . C   C 37  ? 1.8670 1.9378 1.4076 0.3322  0.2063  0.1598  36  C   C "O3'" 
3275 C "C2'" . C   C 37  ? 1.9118 1.9534 1.4538 0.3096  0.2075  0.1336  36  C   C "C2'" 
3276 O "O2'" . C   C 37  ? 1.8844 1.9040 1.3894 0.3263  0.2000  0.1542  36  C   C "O2'" 
3277 C "C1'" . C   C 37  ? 1.9939 1.9966 1.5540 0.3007  0.2161  0.1257  36  C   C "C1'" 
3278 N N1    . C   C 37  ? 2.0209 2.0424 1.6143 0.2811  0.2175  0.0957  36  C   C N1    
3279 C C2    . C   C 37  ? 2.0129 2.0567 1.5943 0.2756  0.2126  0.0771  36  C   C C2    
3280 O O2    . C   C 37  ? 2.0097 2.0589 1.5553 0.2849  0.2070  0.0914  36  C   C O2    
3281 N N3    . C   C 37  ? 2.0167 2.0789 1.6282 0.2612  0.2124  0.0443  36  C   C N3    
3282 C C4    . C   C 37  ? 2.0182 2.0716 1.6753 0.2504  0.2149  0.0316  36  C   C C4    
3283 N N4    . C   C 37  ? 2.0137 2.0822 1.7038 0.2377  0.2111  -0.0041 36  C   C N4    
3284 C C5    . C   C 37  ? 2.0382 2.0699 1.7118 0.2530  0.2199  0.0558  36  C   C C5    
3285 C C6    . C   C 37  ? 2.0440 2.0632 1.6825 0.2693  0.2222  0.0862  36  C   C C6    
3286 P P     . C   C 38  ? 1.7957 1.9246 1.3442 0.3280  0.1994  0.1545  37  C   C P     
3287 O OP1   . C   C 38  ? 1.7474 1.8808 1.2708 0.3506  0.1922  0.1751  37  C   C OP1   
3288 O OP2   . C   C 38  ? 1.7962 1.9531 1.3871 0.3122  0.2048  0.1423  37  C   C OP2   
3289 O "O5'" . C   C 38  ? 1.7647 1.9133 1.3020 0.3161  0.1915  0.1390  37  C   C "O5'" 
3290 C "C5'" . C   C 38  ? 1.7812 1.9181 1.2851 0.3261  0.1825  0.1530  37  C   C "C5'" 
3291 C "C4'" . C   C 38  ? 1.7606 1.9304 1.2595 0.3126  0.1773  0.1388  37  C   C "C4'" 
3292 O "O4'" . C   C 38  ? 1.8124 1.9658 1.3255 0.2996  0.1855  0.1167  37  C   C "O4'" 
3293 C "C3'" . C   C 38  ? 1.7086 1.9430 1.2201 0.3020  0.1727  0.1236  37  C   C "C3'" 
3294 O "O3'" . C   C 38  ? 1.6702 1.9336 1.1659 0.3118  0.1618  0.1447  37  C   C "O3'" 
3295 C "C2'" . C   C 38  ? 1.7015 1.9599 1.2124 0.2884  0.1724  0.1002  37  C   C "C2'" 
3296 O "O2'" . C   C 38  ? 1.6510 1.9271 1.1341 0.2932  0.1637  0.1184  37  C   C "O2'" 
3297 C "C1'" . C   C 38  ? 1.7912 1.9942 1.3105 0.2864  0.1823  0.0924  37  C   C "C1'" 
3298 N N1    . C   C 38  ? 1.8423 2.0470 1.3982 0.2723  0.1885  0.0601  37  C   C N1    
3299 C C2    . C   C 38  ? 1.8791 2.1159 1.4436 0.2614  0.1867  0.0274  37  C   C C2    
3300 O O2    . C   C 38  ? 1.8453 2.1155 1.3839 0.2637  0.1820  0.0289  37  C   C O2    
3301 N N3    . C   C 38  ? 1.9054 2.1392 1.5088 0.2495  0.1885  -0.0048 37  C   C N3    
3302 C C4    . C   C 38  ? 1.9208 2.1233 1.5562 0.2458  0.1924  0.0003  37  C   C C4    
3303 N N4    . C   C 38  ? 1.9255 2.1246 1.6064 0.2326  0.1908  -0.0290 37  C   C N4    
3304 C C5    . C   C 38  ? 1.8717 2.0485 1.4967 0.2564  0.1967  0.0362  37  C   C C5    
3305 C C6    . C   C 38  ? 1.8498 2.0273 1.4341 0.2705  0.1945  0.0621  37  C   C C6    
3306 P P     . C   C 39  ? 1.6242 1.9545 1.1326 0.3045  0.1560  0.1368  38  C   C P     
3307 O OP1   . C   C 39  ? 1.5204 1.8636 1.0153 0.3195  0.1456  0.1655  38  C   C OP1   
3308 O OP2   . C   C 39  ? 1.6040 1.9428 1.1454 0.2933  0.1635  0.1141  38  C   C OP2   
3309 O "O5'" . C   C 39  ? 1.6254 2.0043 1.1253 0.2917  0.1504  0.1215  38  C   C "O5'" 
3310 C "C5'" . C   C 39  ? 1.6200 2.0499 1.1381 0.2766  0.1498  0.0902  38  C   C "C5'" 
3311 C "C4'" . C   C 39  ? 1.6202 2.0759 1.1298 0.2680  0.1496  0.0678  38  C   C "C4'" 
3312 O "O4'" . C   C 39  ? 1.7149 2.1242 1.2395 0.2637  0.1593  0.0456  38  C   C "O4'" 
3313 C "C3'" . C   C 39  ? 1.5977 2.1250 1.1168 0.2561  0.1435  0.0361  38  C   C "C3'" 
3314 O "O3'" . C   C 39  ? 1.5873 2.1757 1.0876 0.2579  0.1333  0.0553  38  C   C "O3'" 
3315 C "C2'" . C   C 39  ? 1.6218 2.1508 1.1410 0.2509  0.1479  0.0047  38  C   C "C2'" 
3316 O "O2'" . C   C 39  ? 1.5537 2.1066 1.0427 0.2562  0.1460  0.0241  38  C   C "O2'" 
3317 C "C1'" . C   C 39  ? 1.7269 2.1748 1.2605 0.2533  0.1583  0.0070  38  C   C "C1'" 
3318 N N1    . C   C 39  ? 1.7975 2.2268 1.3715 0.2433  0.1608  -0.0255 38  C   C N1    
3319 C C2    . C   C 39  ? 1.8940 2.3514 1.4879 0.2339  0.1572  -0.0716 38  C   C C2    
3320 O O2    . C   C 39  ? 1.8915 2.3965 1.4646 0.2354  0.1541  -0.0867 38  C   C O2    
3321 N N3    . C   C 39  ? 1.9774 2.4131 1.6159 0.2240  0.1556  -0.0992 38  C   C N3    
3322 C C4    . C   C 39  ? 1.9527 2.3461 1.6153 0.2222  0.1594  -0.0783 38  C   C C4    
3323 N N4    . C   C 39  ? 2.0041 2.3806 1.7168 0.2104  0.1556  -0.1015 38  C   C N4    
3324 C C5    . C   C 39  ? 1.8116 2.1815 1.4502 0.2334  0.1657  -0.0327 38  C   C C5    
3325 C C6    . C   C 39  ? 1.7795 2.1648 1.3752 0.2440  0.1652  -0.0103 38  C   C C6    
3326 P P     . A   C 40  ? 1.5605 2.1974 1.0739 0.2539  0.1251  0.0554  39  A   C P     
3327 O OP1   . A   C 40  ? 1.4829 2.1283 0.9801 0.2646  0.1178  0.0999  39  A   C OP1   
3328 O OP2   . A   C 40  ? 1.5413 2.1466 1.0878 0.2485  0.1300  0.0358  39  A   C OP2   
3329 O "O5'" . A   C 40  ? 1.4936 2.2143 1.0028 0.2434  0.1175  0.0250  39  A   C "O5'" 
3330 C "C5'" . A   C 40  ? 1.5204 2.2691 1.0553 0.2320  0.1140  -0.0181 39  A   C "C5'" 
3331 C "C4'" . A   C 40  ? 1.5483 2.3697 1.0715 0.2269  0.1078  -0.0514 39  A   C "C4'" 
3332 O "O4'" . A   C 40  ? 1.4998 2.3693 0.9899 0.2329  0.1045  -0.0164 39  A   C "O4'" 
3333 C "C3'" . A   C 40  ? 1.6246 2.4243 1.1511 0.2268  0.1142  -0.0876 39  A   C "C3'" 
3334 O "O3'" . A   C 40  ? 1.7014 2.5699 1.2311 0.2217  0.1059  -0.1359 39  A   C "O3'" 
3335 C "C2'" . A   C 40  ? 1.5796 2.3778 1.0729 0.2361  0.1199  -0.0531 39  A   C "C2'" 
3336 O "O2'" . A   C 40  ? 1.5973 2.4135 1.0818 0.2380  0.1240  -0.0807 39  A   C "O2'" 
3337 C "C1'" . A   C 40  ? 1.5203 2.3924 0.9926 0.2369  0.1101  -0.0222 39  A   C "C1'" 
3338 N N9    . A   C 40  ? 1.4744 2.3329 0.9251 0.2448  0.1100  0.0323  39  A   C N9    
3339 C C8    . A   C 40  ? 1.4551 2.2342 0.9075 0.2520  0.1139  0.0661  39  A   C C8    
3340 N N7    . A   C 40  ? 1.4153 2.1990 0.8504 0.2581  0.1084  0.1108  39  A   C N7    
3341 C C5    . A   C 40  ? 1.4247 2.3011 0.8463 0.2536  0.1019  0.1109  39  A   C C5    
3342 C C6    . A   C 40  ? 1.4267 2.3570 0.8324 0.2549  0.0929  0.1528  39  A   C C6    
3343 N N6    . A   C 40  ? 1.4201 2.3077 0.8237 0.2611  0.0866  0.2021  39  A   C N6    
3344 N N1    . A   C 40  ? 1.4377 2.4705 0.8323 0.2497  0.0888  0.1430  39  A   C N1    
3345 C C2    . A   C 40  ? 1.4483 2.5214 0.8463 0.2450  0.0923  0.0889  39  A   C C2    
3346 N N3    . A   C 40  ? 1.4491 2.4726 0.8651 0.2427  0.0982  0.0445  39  A   C N3    
3347 C C4    . A   C 40  ? 1.4395 2.3652 0.8676 0.2465  0.1035  0.0607  39  A   C C4    
3348 P P     . U   C 41  ? 1.8109 2.6739 1.3832 0.2114  0.0972  -0.1902 40  U   C P     
3349 O OP1   . U   C 41  ? 1.7236 2.6741 1.2876 0.2103  0.0856  -0.2347 40  U   C OP1   
3350 O OP2   . U   C 41  ? 1.7625 2.5943 1.3603 0.2049  0.0945  -0.1678 40  U   C OP2   
3351 O "O5'" . U   C 41  ? 1.9130 2.7033 1.5086 0.2122  0.1053  -0.2146 40  U   C "O5'" 
3352 C "C5'" . U   C 41  ? 1.9544 2.6597 1.5715 0.2109  0.1141  -0.1890 40  U   C "C5'" 
3353 C "C4'" . U   C 41  ? 2.1212 2.7760 1.7788 0.2059  0.1142  -0.2268 40  U   C "C4'" 
3354 O "O4'" . U   C 41  ? 2.1497 2.7261 1.8249 0.2053  0.1244  -0.1938 40  U   C "O4'" 
3355 C "C3'" . U   C 41  ? 2.2058 2.8757 1.9111 0.1939  0.0979  -0.2720 40  U   C "C3'" 
3356 O "O3'" . U   C 41  ? 2.2668 3.0046 1.9655 0.1953  0.0857  -0.3227 40  U   C "O3'" 
3357 C "C2'" . U   C 41  ? 2.2812 2.8731 2.0334 0.1882  0.1009  -0.2789 40  U   C "C2'" 
3358 O "O2'" . U   C 41  ? 2.3656 2.9430 2.1205 0.1935  0.1031  -0.3131 40  U   C "O2'" 
3359 C "C1'" . U   C 41  ? 2.2051 2.7470 1.9358 0.1942  0.1179  -0.2196 40  U   C "C1'" 
3360 N N1    . U   C 41  ? 2.1464 2.6751 1.8985 0.1881  0.1168  -0.1879 40  U   C N1    
3361 C C2    . U   C 41  ? 2.1608 2.6450 1.9675 0.1777  0.1142  -0.1899 40  U   C C2    
3362 O O2    . U   C 41  ? 2.2570 2.7082 2.0975 0.1726  0.1114  -0.2173 40  U   C O2    
3363 N N3    . U   C 41  ? 2.1113 2.5947 1.9348 0.1738  0.1144  -0.1565 40  U   C N3    
3364 C C4    . U   C 41  ? 2.0735 2.5915 1.8657 0.1804  0.1166  -0.1251 40  U   C C4    
3365 O O4    . U   C 41  ? 2.0234 2.5397 1.8370 0.1778  0.1171  -0.0978 40  U   C O4    
3366 C C5    . U   C 41  ? 2.0850 2.6424 1.8241 0.1904  0.1176  -0.1256 40  U   C C5    
3367 C C6    . U   C 41  ? 2.1060 2.6692 1.8274 0.1932  0.1178  -0.1545 40  U   C C6    
3368 P P     . U   C 42  ? 2.4725 3.2058 2.2133 0.1927  0.0724  -0.3923 41  U   C P     
3369 O OP1   . U   C 42  ? 2.4488 3.1405 2.1826 0.2019  0.0853  -0.3959 41  U   C OP1   
3370 O OP2   . U   C 42  ? 2.4492 3.2706 2.1771 0.1949  0.0567  -0.4370 41  U   C OP2   
3371 O "O5'" . U   C 42  ? 2.5172 3.1971 2.3250 0.1768  0.0607  -0.3973 41  U   C "O5'" 
3372 C "C5'" . U   C 42  ? 2.5720 3.2236 2.4377 0.1704  0.0451  -0.4491 41  U   C "C5'" 
3373 C "C4'" . U   C 42  ? 2.5949 3.1776 2.4762 0.1745  0.0569  -0.4456 41  U   C "C4'" 
3374 O "O4'" . U   C 42  ? 2.6059 3.1239 2.5100 0.1662  0.0673  -0.3927 41  U   C "O4'" 
3375 C "C3'" . U   C 42  ? 2.6309 3.1901 2.5697 0.1721  0.0396  -0.5067 41  U   C "C3'" 
3376 O "O3'" . U   C 42  ? 2.6196 3.1591 2.5400 0.1854  0.0524  -0.5182 41  U   C "O3'" 
3377 C "C2'" . U   C 42  ? 2.6800 3.1707 2.6863 0.1553  0.0337  -0.4831 41  U   C "C2'" 
3378 O "O2'" . U   C 42  ? 2.7052 3.1435 2.7687 0.1524  0.0248  -0.5134 41  U   C "O2'" 
3379 C "C1'" . U   C 42  ? 2.6855 3.1455 2.6539 0.1577  0.0593  -0.4115 41  U   C "C1'" 
3380 N N1    . U   C 42  ? 2.7572 3.1799 2.7683 0.1436  0.0585  -0.3698 41  U   C N1    
3381 C C2    . U   C 42  ? 2.7993 3.1565 2.8510 0.1384  0.0642  -0.3506 41  U   C C2    
3382 O O2    . U   C 42  ? 2.7975 3.1232 2.8512 0.1447  0.0694  -0.3674 41  U   C O2    
3383 N N3    . U   C 42  ? 2.8642 3.1989 2.9553 0.1259  0.0637  -0.3089 41  U   C N3    
3384 C C4    . U   C 42  ? 2.8626 3.2317 2.9570 0.1189  0.0585  -0.2858 41  U   C C4    
3385 O O4    . U   C 42  ? 2.9158 3.2656 3.0487 0.1090  0.0596  -0.2466 41  U   C O4    
3386 C C5    . U   C 42  ? 2.8232 3.2547 2.8750 0.1245  0.0524  -0.3089 41  U   C C5    
3387 C C6    . U   C 42  ? 2.7600 3.2166 2.7726 0.1360  0.0524  -0.3485 41  U   C C6    
3388 P P     . G   C 43  ? 2.6203 3.1844 2.5606 0.1960  0.0373  -0.5958 42  G   C P     
3389 O OP1   . G   C 43  ? 2.6082 3.2340 2.5617 0.1933  0.0127  -0.6444 42  G   C OP1   
3390 O OP2   . G   C 43  ? 2.6406 3.1278 2.6406 0.1920  0.0342  -0.6074 42  G   C OP2   
3391 O "O5'" . G   C 43  ? 2.5586 3.1721 2.4269 0.2159  0.0566  -0.5921 42  G   C "O5'" 
3392 C "C5'" . G   C 43  ? 2.5034 3.0728 2.3488 0.2221  0.0791  -0.5525 42  G   C "C5'" 
3393 C "C4'" . G   C 43  ? 2.4457 3.0590 2.2189 0.2298  0.0971  -0.5038 42  G   C "C4'" 
3394 O "O4'" . G   C 43  ? 2.4614 3.0866 2.2233 0.2194  0.0951  -0.4650 42  G   C "O4'" 
3395 C "C3'" . G   C 43  ? 2.3926 2.9541 2.1411 0.2336  0.1188  -0.4506 42  G   C "C3'" 
3396 O "O3'" . G   C 43  ? 2.3581 2.9269 2.0945 0.2469  0.1267  -0.4712 42  G   C "O3'" 
3397 C "C2'" . G   C 43  ? 2.3695 2.9663 2.0646 0.2342  0.1274  -0.3963 42  G   C "C2'" 
3398 O "O2'" . G   C 43  ? 2.3383 3.0215 1.9886 0.2456  0.1282  -0.4076 42  G   C "O2'" 
3399 C "C1'" . G   C 43  ? 2.4140 3.0232 2.1325 0.2221  0.1134  -0.4003 42  G   C "C1'" 
3400 N N9    . G   C 43  ? 2.4181 2.9542 2.1644 0.2113  0.1174  -0.3601 42  G   C N9    
3401 C C8    . G   C 43  ? 2.4636 2.9486 2.2708 0.1994  0.1085  -0.3733 42  G   C C8    
3402 N N7    . G   C 43  ? 2.4681 2.9047 2.2834 0.1933  0.1167  -0.3244 42  G   C N7    
3403 C C5    . G   C 43  ? 2.3698 2.8207 2.1265 0.2028  0.1305  -0.2803 42  G   C C5    
3404 C C6    . G   C 43  ? 2.3200 2.7375 2.0561 0.2050  0.1421  -0.2228 42  G   C C6    
3405 O O6    . G   C 43  ? 2.3121 2.6851 2.0738 0.1996  0.1452  -0.1962 42  G   C O6    
3406 N N1    . G   C 43  ? 2.3254 2.7713 2.0054 0.2158  0.1492  -0.1945 42  G   C N1    
3407 C C2    . G   C 43  ? 2.3361 2.8409 1.9844 0.2223  0.1471  -0.2137 42  G   C C2    
3408 N N2    . G   C 43  ? 2.3262 2.8524 1.9284 0.2306  0.1526  -0.1750 42  G   C N2    
3409 N N3    . G   C 43  ? 2.3495 2.8934 2.0121 0.2217  0.1387  -0.2664 42  G   C N3    
3410 C C4    . G   C 43  ? 2.3670 2.8780 2.0836 0.2125  0.1303  -0.2995 42  G   C C4    
3411 P P     . G   C 44  ? 2.3134 2.7988 2.0636 0.2472  0.1411  -0.4429 43  G   C P     
3412 O OP1   . G   C 44  ? 2.2721 2.7810 2.0160 0.2621  0.1454  -0.4776 43  G   C OP1   
3413 O OP2   . G   C 44  ? 2.3080 2.7197 2.1179 0.2327  0.1337  -0.4413 43  G   C OP2   
3414 O "O5'" . G   C 44  ? 2.2432 2.7173 1.9423 0.2474  0.1573  -0.3697 43  G   C "O5'" 
3415 C "C5'" . G   C 44  ? 2.1807 2.6987 1.8291 0.2589  0.1677  -0.3484 43  G   C "C5'" 
3416 C "C4'" . G   C 44  ? 2.1608 2.6972 1.7668 0.2570  0.1714  -0.2912 43  G   C "C4'" 
3417 O "O4'" . G   C 44  ? 2.2099 2.7341 1.8336 0.2465  0.1630  -0.2848 43  G   C "O4'" 
3418 C "C3'" . G   C 44  ? 2.1316 2.6078 1.7184 0.2575  0.1832  -0.2322 43  G   C "C3'" 
3419 O "O3'" . G   C 44  ? 2.1042 2.6052 1.6607 0.2668  0.1909  -0.2163 43  G   C "O3'" 
3420 C "C2'" . G   C 44  ? 2.1140 2.5958 1.6809 0.2533  0.1798  -0.1901 43  G   C "C2'" 
3421 O "O2'" . G   C 44  ? 2.0393 2.5964 1.5669 0.2585  0.1771  -0.1717 43  G   C "O2'" 
3422 C "C1'" . G   C 44  ? 2.1730 2.6671 1.7732 0.2448  0.1690  -0.2253 43  G   C "C1'" 
3423 N N9    . G   C 44  ? 2.1815 2.6016 1.8167 0.2365  0.1700  -0.2122 43  G   C N9    
3424 C C8    . G   C 44  ? 2.2149 2.5968 1.9023 0.2285  0.1654  -0.2443 43  G   C C8    
3425 N N7    . G   C 44  ? 2.2038 2.5315 1.9132 0.2219  0.1679  -0.2159 43  G   C N7    
3426 C C5    . G   C 44  ? 2.1651 2.4931 1.8324 0.2278  0.1744  -0.1669 43  G   C C5    
3427 C C6    . G   C 44  ? 2.1168 2.4034 1.7817 0.2280  0.1794  -0.1232 43  G   C C6    
3428 O O6    . G   C 44  ? 2.0775 2.3230 1.7770 0.2219  0.1809  -0.1150 43  G   C O6    
3429 N N1    . G   C 44  ? 2.0788 2.3800 1.6974 0.2374  0.1818  -0.0856 43  G   C N1    
3430 C C2    . G   C 44  ? 2.0529 2.4042 1.6355 0.2432  0.1794  -0.0843 43  G   C C2    
3431 N N2    . G   C 44  ? 1.9949 2.3517 1.5428 0.2508  0.1787  -0.0426 43  G   C N2    
3432 N N3    . G   C 44  ? 2.0844 2.4813 1.6672 0.2424  0.1766  -0.1209 43  G   C N3    
3433 C C4    . G   C 44  ? 2.1441 2.5256 1.7682 0.2358  0.1745  -0.1634 43  G   C C4    
3434 P P     . G   C 45  ? 2.1524 2.5796 1.7093 0.2688  0.2020  -0.1853 44  G   C P     
3435 O OP1   . G   C 45  ? 2.0711 2.5460 1.6072 0.2787  0.2074  -0.1885 44  G   C OP1   
3436 O OP2   . G   C 45  ? 2.1453 2.4979 1.7474 0.2625  0.2030  -0.2055 44  G   C OP2   
3437 O "O5'" . G   C 45  ? 2.0693 2.4630 1.5991 0.2668  0.2027  -0.1212 44  G   C "O5'" 
3438 C "C5'" . G   C 45  ? 2.0358 2.4789 1.5276 0.2712  0.2001  -0.0833 44  G   C "C5'" 
3439 C "C4'" . G   C 45  ? 2.0146 2.4173 1.4924 0.2696  0.1961  -0.0329 44  G   C "C4'" 
3440 O "O4'" . G   C 45  ? 2.0108 2.4046 1.5049 0.2646  0.1917  -0.0454 44  G   C "O4'" 
3441 C "C3'" . G   C 45  ? 2.0594 2.3735 1.5401 0.2708  0.2011  -0.0033 44  G   C "C3'" 
3442 O "O3'" . G   C 45  ? 2.0580 2.3727 1.5172 0.2752  0.2011  0.0306  44  G   C "O3'" 
3443 C "C2'" . G   C 45  ? 2.0711 2.3512 1.5497 0.2705  0.1958  0.0225  44  G   C "C2'" 
3444 O "O2'" . G   C 45  ? 2.0308 2.3322 1.4822 0.2750  0.1868  0.0647  44  G   C "O2'" 
3445 C "C1'" . G   C 45  ? 2.0358 2.3604 1.5311 0.2652  0.1924  -0.0120 44  G   C "C1'" 
3446 N N9    . G   C 45  ? 2.0724 2.3515 1.6036 0.2594  0.1962  -0.0370 44  G   C N9    
3447 C C8    . G   C 45  ? 2.0904 2.3837 1.6540 0.2533  0.1962  -0.0848 44  G   C C8    
3448 N N7    . G   C 45  ? 2.0945 2.3422 1.6929 0.2471  0.1972  -0.0927 44  G   C N7    
3449 C C5    . G   C 45  ? 2.0682 2.2737 1.6521 0.2509  0.2002  -0.0491 44  G   C C5    
3450 C C6    . G   C 45  ? 2.0649 2.2213 1.6713 0.2485  0.2033  -0.0342 44  G   C C6    
3451 O O6    . G   C 45  ? 2.0566 2.1959 1.7052 0.2398  0.2034  -0.0528 44  G   C O6    
3452 N N1    . G   C 45  ? 2.0662 2.1962 1.6440 0.2581  0.2047  0.0076  44  G   C N1    
3453 C C2    . G   C 45  ? 2.0587 2.2014 1.5969 0.2670  0.2009  0.0330  44  G   C C2    
3454 N N2    . G   C 45  ? 2.0500 2.1592 1.5689 0.2771  0.1995  0.0685  44  G   C N2    
3455 N N3    . G   C 45  ? 2.0642 2.2528 1.5852 0.2667  0.1974  0.0248  44  G   C N3    
3456 C C4    . G   C 45  ? 2.0680 2.2889 1.6108 0.2592  0.1985  -0.0169 44  G   C C4    
3457 P P     . C   C 46  ? 2.1038 2.3460 1.5693 0.2766  0.2084  0.0432  45  C   C P     
3458 O OP1   . C   C 46  ? 2.1080 2.3782 1.5526 0.2799  0.2058  0.0751  45  C   C OP1   
3459 O OP2   . C   C 46  ? 2.1262 2.3483 1.6229 0.2739  0.2173  -0.0026 45  C   C OP2   
3460 O "O5'" . C   C 46  ? 2.1217 2.2884 1.5847 0.2778  0.2048  0.0756  45  C   C "O5'" 
3461 C "C5'" . C   C 46  ? 2.0937 2.2669 1.5359 0.2816  0.1932  0.1130  45  C   C "C5'" 
3462 C "C4'" . C   C 46  ? 2.0978 2.2020 1.5412 0.2861  0.1909  0.1311  45  C   C "C4'" 
3463 O "O4'" . C   C 46  ? 2.1436 2.2428 1.6081 0.2829  0.1969  0.1027  45  C   C "O4'" 
3464 C "C3'" . C   C 46  ? 2.1024 2.1338 1.5467 0.2889  0.1946  0.1456  45  C   C "C3'" 
3465 O "O3'" . C   C 46  ? 2.0537 2.0451 1.4812 0.2978  0.1831  0.1816  45  C   C "O3'" 
3466 C "C2'" . C   C 46  ? 2.1708 2.1679 1.6414 0.2852  0.2061  0.1175  45  C   C "C2'" 
3467 O "O2'" . C   C 46  ? 2.1993 2.1292 1.6701 0.2900  0.2079  0.1350  45  C   C "O2'" 
3468 C "C1'" . C   C 46  ? 2.1783 2.2105 1.6563 0.2840  0.2037  0.1038  45  C   C "C1'" 
3469 N N1    . C   C 46  ? 2.1853 2.2211 1.6974 0.2755  0.2119  0.0675  45  C   C N1    
3470 C C2    . C   C 46  ? 2.1829 2.1845 1.7165 0.2744  0.2158  0.0671  45  C   C C2    
3471 O O2    . C   C 46  ? 2.1971 2.1668 1.7167 0.2831  0.2142  0.0947  45  C   C O2    
3472 N N3    . C   C 46  ? 2.1749 2.1825 1.7475 0.2644  0.2200  0.0363  45  C   C N3    
3473 C C4    . C   C 46  ? 2.1634 2.2048 1.7523 0.2576  0.2195  0.0013  45  C   C C4    
3474 N N4    . C   C 46  ? 2.1621 2.2048 1.7948 0.2481  0.2196  -0.0303 45  C   C N4    
3475 C C5    . C   C 46  ? 2.1460 2.2258 1.7089 0.2612  0.2173  -0.0028 45  C   C C5    
3476 C C6    . C   C 46  ? 2.1618 2.2389 1.6882 0.2690  0.2141  0.0331  45  C   C C6    
3477 P P     . G   C 47  ? 1.6960 1.8700 1.7099 0.0871  0.0458  0.3863  46  G   C P     
3478 O OP1   . G   C 47  ? 1.5517 1.7862 1.5365 0.0914  0.0520  0.3856  46  G   C OP1   
3479 O OP2   . G   C 47  ? 1.6451 1.8158 1.6960 0.1004  0.0265  0.3518  46  G   C OP2   
3480 O "O5'" . G   C 47  ? 1.6902 1.7980 1.6635 0.1016  0.0384  0.4278  46  G   C "O5'" 
3481 C "C5'" . G   C 47  ? 1.6774 1.7729 1.6098 0.0912  0.0557  0.4685  46  G   C "C5'" 
3482 C "C4'" . G   C 47  ? 1.6377 1.7093 1.5139 0.1213  0.0414  0.4956  46  G   C "C4'" 
3483 O "O4'" . G   C 47  ? 1.7312 1.7672 1.6209 0.1465  0.0137  0.4808  46  G   C "O4'" 
3484 C "C3'" . G   C 47  ? 1.5263 1.6564 1.3689 0.1398  0.0386  0.4893  46  G   C "C3'" 
3485 O "O3'" . G   C 47  ? 1.4905 1.6457 1.2976 0.1281  0.0599  0.5140  46  G   C "O3'" 
3486 C "C2'" . G   C 47  ? 1.5677 1.6664 1.3808 0.1765  0.0114  0.4963  46  G   C "C2'" 
3487 O "O2'" . G   C 47  ? 1.6115 1.6655 1.3741 0.1844  0.0128  0.5388  46  G   C "O2'" 
3488 C "C1'" . G   C 47  ? 1.6517 1.7086 1.5092 0.1782  -0.0037 0.4775  46  G   C "C1'" 
3489 N N9    . G   C 47  ? 1.6100 1.7072 1.5062 0.1876  -0.0168 0.4343  46  G   C N9    
3490 C C8    . G   C 47  ? 1.6638 1.7450 1.6094 0.1836  -0.0248 0.4073  46  G   C C8    
3491 N N7    . G   C 47  ? 1.6077 1.7330 1.5792 0.1930  -0.0344 0.3725  46  G   C N7    
3492 C C5    . G   C 47  ? 1.4702 1.6400 1.4100 0.2034  -0.0345 0.3777  46  G   C C5    
3493 C C6    . G   C 47  ? 1.2996 1.5257 1.2495 0.2145  -0.0437 0.3525  46  G   C C6    
3494 O O6    . G   C 47  ? 1.2548 1.5063 1.2411 0.2167  -0.0512 0.3217  46  G   C O6    
3495 N N1    . G   C 47  ? 1.2103 1.4657 1.1232 0.2234  -0.0440 0.3667  46  G   C N1    
3496 C C2    . G   C 47  ? 1.2482 1.4861 1.1174 0.2232  -0.0351 0.3988  46  G   C C2    
3497 N N2    . G   C 47  ? 1.1850 1.4518 1.0313 0.2272  -0.0365 0.3902  46  G   C N2    
3498 N N3    . G   C 47  ? 1.3763 1.5652 1.2323 0.2120  -0.0238 0.4243  46  G   C N3    
3499 C C4    . G   C 47  ? 1.4832 1.6373 1.3768 0.2018  -0.0247 0.4134  46  G   C C4    
3500 P P     . C   C 48  ? 1.3950 1.6293 1.1932 0.1294  0.0668  0.4956  47  C   C P     
3501 O OP1   . C   C 48  ? 1.4090 1.6499 1.1561 0.1311  0.0798  0.5253  47  C   C OP1   
3502 O OP2   . C   C 48  ? 1.3075 1.5816 1.1561 0.1025  0.0798  0.4655  47  C   C OP2   
3503 O "O5'" . C   C 48  ? 1.3154 1.5659 1.1054 0.1645  0.0374  0.4753  47  C   C "O5'" 
3504 C "C5'" . C   C 48  ? 1.2876 1.5397 1.0450 0.1824  0.0257  0.4635  47  C   C "C5'" 
3505 C "C4'" . C   C 48  ? 1.2269 1.5384 0.9988 0.1836  0.0218  0.4270  47  C   C "C4'" 
3506 O "O4'" . C   C 48  ? 1.1887 1.5185 0.9942 0.1916  0.0057  0.4022  47  C   C "O4'" 
3507 C "C3'" . C   C 48  ? 1.2298 1.5931 1.0110 0.1611  0.0442  0.4274  47  C   C "C3'" 
3508 O "O3'" . C   C 48  ? 1.2633 1.6615 1.0420 0.1681  0.0381  0.3997  47  C   C "O3'" 
3509 C "C2'" . C   C 48  ? 1.1915 1.5865 1.0096 0.1525  0.0439  0.4181  47  C   C "C2'" 
3510 O "O2'" . C   C 48  ? 1.1823 1.6360 1.0181 0.1370  0.0539  0.3997  47  C   C "O2'" 
3511 C "C1'" . C   C 48  ? 1.1474 1.5322 0.9785 0.1755  0.0162  0.3923  47  C   C "C1'" 
3512 N N1    . C   C 48  ? 1.0808 1.4642 0.9449 0.1748  0.0090  0.3853  47  C   C N1    
3513 C C2    . C   C 48  ? 0.9745 1.3877 0.8598 0.1868  -0.0093 0.3586  47  C   C C2    
3514 O O2    . C   C 48  ? 0.9422 1.3684 0.8275 0.1889  -0.0151 0.3321  47  C   C O2    
3515 N N3    . C   C 48  ? 0.9557 1.3644 0.8783 0.1833  -0.0147 0.3385  47  C   C N3    
3516 C C4    . C   C 48  ? 1.0101 1.3816 0.9532 0.1688  -0.0047 0.3386  47  C   C C4    
3517 N N4    . C   C 48  ? 1.0007 1.3726 0.9821 0.1671  -0.0110 0.3132  47  C   C N4    
3518 C C5    . C   C 48  ? 1.0933 1.4271 1.0197 0.1552  0.0119  0.3648  47  C   C C5    
3519 C C6    . C   C 48  ? 1.1300 1.4718 1.0159 0.1581  0.0193  0.3888  47  C   C C6    
3520 P P     . U   C 49  ? 1.3536 1.7571 1.1008 0.1661  0.0505  0.4086  48  U   C P     
3521 O OP1   . U   C 49  ? 1.2916 1.6419 1.0030 0.1656  0.0579  0.4423  48  U   C OP1   
3522 O OP2   . U   C 49  ? 1.2669 1.7263 1.0323 0.1474  0.0672  0.4006  48  U   C OP2   
3523 O "O5'" . U   C 49  ? 1.2333 1.6396 0.9752 0.1890  0.0290  0.3800  48  U   C "O5'" 
3524 C "C5'" . U   C 49  ? 1.1318 1.5770 0.9042 0.1929  0.0181  0.3460  48  U   C "C5'" 
3525 C "C4'" . U   C 49  ? 1.1276 1.5595 0.8921 0.2116  0.0007  0.3254  48  U   C "C4'" 
3526 O "O4'" . U   C 49  ? 1.1520 1.5961 0.8884 0.2162  0.0091  0.3341  48  U   C "O4'" 
3527 C "C3'" . U   C 49  ? 1.1535 1.5307 0.9035 0.2243  -0.0151 0.3286  48  U   C "C3'" 
3528 O "O3'" . U   C 49  ? 1.1300 1.4989 0.8922 0.2349  -0.0341 0.2995  48  U   C "O3'" 
3529 C "C2'" . U   C 49  ? 1.2518 1.6058 0.9581 0.2295  -0.0080 0.3544  48  U   C "C2'" 
3530 O "O2'" . U   C 49  ? 1.3073 1.6176 0.9933 0.2448  -0.0254 0.3536  48  U   C "O2'" 
3531 C "C1'" . U   C 49  ? 1.2336 1.6339 0.9367 0.2296  0.0009  0.3453  48  U   C "C1'" 
3532 N N1    . U   C 49  ? 1.3414 1.7436 1.0075 0.2256  0.0185  0.3725  48  U   C N1    
3533 C C2    . U   C 49  ? 1.3564 1.8005 1.0161 0.2303  0.0241  0.3632  48  U   C C2    
3534 O O2    . U   C 49  ? 1.3146 1.7913 0.9997 0.2379  0.0145  0.3344  48  U   C O2    
3535 N N3    . U   C 49  ? 1.4220 1.8679 1.0452 0.2246  0.0422  0.3892  48  U   C N3    
3536 C C4    . U   C 49  ? 1.4495 1.8544 1.0421 0.2127  0.0555  0.4245  48  U   C C4    
3537 O O4    . U   C 49  ? 1.4390 1.8492 0.9999 0.2054  0.0733  0.4457  48  U   C O4    
3538 C C5    . U   C 49  ? 1.4390 1.7980 1.0418 0.2097  0.0470  0.4327  48  U   C C5    
3539 C C6    . U   C 49  ? 1.4004 1.7624 1.0385 0.2172  0.0291  0.4064  48  U   C C6    
3540 P P     . A   C 50  ? 0.9821 1.3874 0.7717 0.2324  -0.0379 0.2685  49  A   C P     
3541 O OP1   . A   C 50  ? 0.9144 1.2886 0.7109 0.2396  -0.0578 0.2475  49  A   C OP1   
3542 O OP2   . A   C 50  ? 0.9725 1.4149 0.7500 0.2341  -0.0264 0.2718  49  A   C OP2   
3543 O "O5'" . A   C 50  ? 0.8894 1.3178 0.7138 0.2174  -0.0336 0.2598  49  A   C "O5'" 
3544 C "C5'" . A   C 50  ? 0.7775 1.2506 0.6233 0.2077  -0.0263 0.2470  49  A   C "C5'" 
3545 C "C4'" . A   C 50  ? 0.7012 1.1941 0.5730 0.1935  -0.0212 0.2462  49  A   C "C4'" 
3546 O "O4'" . A   C 50  ? 0.6599 1.1301 0.5502 0.1916  -0.0339 0.2271  49  A   C "O4'" 
3547 C "C3'" . A   C 50  ? 0.7379 1.2249 0.6010 0.1892  -0.0119 0.2737  49  A   C "C3'" 
3548 O "O3'" . A   C 50  ? 0.6692 1.1937 0.5560 0.1742  -0.0042 0.2729  49  A   C "O3'" 
3549 C "C2'" . A   C 50  ? 0.7384 1.1837 0.6035 0.1970  -0.0256 0.2699  49  A   C "C2'" 
3550 O "O2'" . A   C 50  ? 0.7424 1.1794 0.6102 0.1944  -0.0221 0.2884  49  A   C "O2'" 
3551 C "C1'" . A   C 50  ? 0.6684 1.1230 0.5607 0.1916  -0.0347 0.2395  49  A   C "C1'" 
3552 N N9    . A   C 50  ? 0.7070 1.1240 0.6032 0.1974  -0.0504 0.2257  49  A   C N9    
3553 C C8    . A   C 50  ? 0.7648 1.1479 0.6464 0.2076  -0.0627 0.2203  49  A   C C8    
3554 N N7    . A   C 50  ? 0.8024 1.1598 0.6964 0.2078  -0.0765 0.2073  49  A   C N7    
3555 C C5    . A   C 50  ? 0.7882 1.1646 0.7044 0.1981  -0.0717 0.2037  49  A   C C5    
3556 C C6    . A   C 50  ? 0.7778 1.1470 0.7147 0.1937  -0.0794 0.1923  49  A   C C6    
3557 N N6    . A   C 50  ? 0.8289 1.1756 0.7704 0.2000  -0.0923 0.1843  49  A   C N6    
3558 N N1    . A   C 50  ? 0.7500 1.1485 0.7041 0.1850  -0.0710 0.1917  49  A   C N1    
3559 C C2    . A   C 50  ? 0.7142 1.1466 0.6674 0.1798  -0.0573 0.2019  49  A   C C2    
3560 N N3    . A   C 50  ? 0.7172 1.1601 0.6545 0.1817  -0.0492 0.2138  49  A   C N3    
3561 C C4    . A   C 50  ? 0.7442 1.1576 0.6621 0.1918  -0.0563 0.2143  49  A   C C4    
3562 P P     . G   C 51  ? 0.6041 1.1823 0.5018 0.1615  0.0071  0.2689  50  G   C P     
3563 O OP1   . G   C 51  ? 0.5600 1.1525 0.4612 0.1678  0.0020  0.2477  50  G   C OP1   
3564 O OP2   . G   C 51  ? 0.7014 1.2843 0.5808 0.1506  0.0250  0.2985  50  G   C OP2   
3565 O "O5'" . G   C 51  ? 0.5855 1.1916 0.5154 0.1494  0.0040  0.2521  50  G   C "O5'" 
3566 C "C5'" . G   C 51  ? 0.5521 1.1728 0.5010 0.1466  -0.0022 0.2244  50  G   C "C5'" 
3567 C "C4'" . G   C 51  ? 0.5203 1.1033 0.4761 0.1494  -0.0139 0.2070  50  G   C "C4'" 
3568 O "O4'" . G   C 51  ? 0.5616 1.1142 0.5089 0.1570  -0.0180 0.2201  50  G   C "O4'" 
3569 C "C3'" . G   C 51  ? 0.5027 1.0988 0.4796 0.1360  -0.0148 0.1913  50  G   C "C3'" 
3570 O "O3'" . G   C 51  ? 0.4768 1.0786 0.4593 0.1296  -0.0160 0.1729  50  G   C "O3'" 
3571 C "C2'" . G   C 51  ? 0.5273 1.0849 0.5054 0.1397  -0.0242 0.1863  50  G   C "C2'" 
3572 O "O2'" . G   C 51  ? 0.5052 1.0260 0.4799 0.1421  -0.0346 0.1707  50  G   C "O2'" 
3573 C "C1'" . G   C 51  ? 0.5256 1.0661 0.4883 0.1528  -0.0249 0.2068  50  G   C "C1'" 
3574 N N9    . G   C 51  ? 0.5514 1.1039 0.5194 0.1521  -0.0220 0.2221  50  G   C N9    
3575 C C8    . G   C 51  ? 0.5754 1.1374 0.5313 0.1536  -0.0141 0.2483  50  G   C C8    
3576 N N7    . G   C 51  ? 0.6010 1.1669 0.5634 0.1536  -0.0146 0.2605  50  G   C N7    
3577 C C5    . G   C 51  ? 0.5879 1.1532 0.5697 0.1535  -0.0235 0.2380  50  G   C C5    
3578 C C6    . G   C 51  ? 0.6025 1.1774 0.6024 0.1556  -0.0290 0.2357  50  G   C C6    
3579 O O6    . G   C 51  ? 0.6306 1.2163 0.6372 0.1602  -0.0299 0.2535  50  G   C O6    
3580 N N1    . G   C 51  ? 0.5825 1.1521 0.5942 0.1520  -0.0342 0.2112  50  G   C N1    
3581 C C2    . G   C 51  ? 0.5625 1.1134 0.5689 0.1464  -0.0353 0.1952  50  G   C C2    
3582 N N2    . G   C 51  ? 0.5494 1.0925 0.5654 0.1416  -0.0398 0.1790  50  G   C N2    
3583 N N3    . G   C 51  ? 0.5541 1.0951 0.5476 0.1463  -0.0329 0.1962  50  G   C N3    
3584 C C4    . G   C 51  ? 0.5667 1.1191 0.5492 0.1506  -0.0267 0.2163  50  G   C C4    
3585 P P     . C   C 52  ? 0.4057 1.0461 0.4026 0.1140  -0.0096 0.1646  51  C   C P     
3586 O OP1   . C   C 52  ? 0.3116 0.9477 0.3083 0.1105  -0.0124 0.1471  51  C   C OP1   
3587 O OP2   . C   C 52  ? 0.3802 1.0660 0.3803 0.1114  -0.0005 0.1834  51  C   C OP2   
3588 O "O5'" . C   C 52  ? 0.4379 1.0579 0.4422 0.1070  -0.0142 0.1570  51  C   C "O5'" 
3589 C "C5'" . C   C 52  ? 0.4581 1.0331 0.4606 0.1077  -0.0244 0.1449  51  C   C "C5'" 
3590 C "C4'" . C   C 52  ? 0.4838 1.0501 0.4937 0.1014  -0.0269 0.1414  51  C   C "C4'" 
3591 O "O4'" . C   C 52  ? 0.4988 1.0611 0.5084 0.1101  -0.0279 0.1520  51  C   C "O4'" 
3592 C "C3'" . C   C 52  ? 0.5134 1.1138 0.5306 0.0896  -0.0199 0.1385  51  C   C "C3'" 
3593 O "O3'" . C   C 52  ? 0.5103 1.1055 0.5281 0.0803  -0.0216 0.1263  51  C   C "O3'" 
3594 C "C2'" . C   C 52  ? 0.5269 1.1223 0.5489 0.0902  -0.0221 0.1398  51  C   C "C2'" 
3595 O "O2'" . C   C 52  ? 0.5504 1.1157 0.5734 0.0874  -0.0291 0.1321  51  C   C "O2'" 
3596 C "C1'" . C   C 52  ? 0.4956 1.0771 0.5139 0.1041  -0.0252 0.1514  51  C   C "C1'" 
3597 N N1    . C   C 52  ? 0.4787 1.0924 0.4995 0.1079  -0.0201 0.1649  51  C   C N1    
3598 C C2    . C   C 52  ? 0.5279 1.1578 0.5578 0.1077  -0.0211 0.1652  51  C   C C2    
3599 O O2    . C   C 52  ? 0.5551 1.1757 0.5888 0.1041  -0.0239 0.1543  51  C   C O2    
3600 N N3    . C   C 52  ? 0.5255 1.1829 0.5623 0.1117  -0.0201 0.1780  51  C   C N3    
3601 C C4    . C   C 52  ? 0.5040 1.1712 0.5345 0.1144  -0.0166 0.1948  51  C   C C4    
3602 N N4    . C   C 52  ? 0.5082 1.1997 0.5475 0.1177  -0.0173 0.2124  51  C   C N4    
3603 C C5    . C   C 52  ? 0.5094 1.1628 0.5270 0.1144  -0.0131 0.1950  51  C   C C5    
3604 C C6    . C   C 52  ? 0.4814 1.1091 0.4966 0.1119  -0.0159 0.1777  51  C   C C6    
3605 P P     . A   C 53  ? 0.4118 1.0448 0.4318 0.0690  -0.0146 0.1208  52  A   C P     
3606 O OP1   . A   C 53  ? 0.4094 1.0293 0.4282 0.0640  -0.0191 0.1102  52  A   C OP1   
3607 O OP2   . A   C 53  ? 0.4171 1.0892 0.4374 0.0703  -0.0072 0.1293  52  A   C OP2   
3608 O "O5'" . A   C 53  ? 0.4852 1.1328 0.5088 0.0639  -0.0127 0.1205  52  A   C "O5'" 
3609 C "C5'" . A   C 53  ? 0.4751 1.1026 0.4999 0.0606  -0.0169 0.1156  52  A   C "C5'" 
3610 C "C4'" . A   C 53  ? 0.4456 1.0972 0.4728 0.0589  -0.0139 0.1158  52  A   C "C4'" 
3611 O "O4'" . A   C 53  ? 0.4850 1.1392 0.5156 0.0690  -0.0145 0.1250  52  A   C "O4'" 
3612 C "C3'" . A   C 53  ? 0.4618 1.1515 0.4882 0.0513  -0.0097 0.1083  52  A   C "C3'" 
3613 O "O3'" . A   C 53  ? 0.4851 1.1774 0.5080 0.0423  -0.0094 0.0981  52  A   C "O3'" 
3614 C "C2'" . A   C 53  ? 0.4979 1.2059 0.5299 0.0555  -0.0105 0.1090  52  A   C "C2'" 
3615 O "O2'" . A   C 53  ? 0.5144 1.2186 0.5454 0.0546  -0.0112 0.1050  52  A   C "O2'" 
3616 C "C1'" . A   C 53  ? 0.4891 1.1776 0.5246 0.0677  -0.0128 0.1227  52  A   C "C1'" 
3617 N N9    . A   C 53  ? 0.4800 1.1879 0.5208 0.0714  -0.0119 0.1317  52  A   C N9    
3618 C C8    . A   C 53  ? 0.5030 1.2103 0.5400 0.0734  -0.0094 0.1414  52  A   C C8    
3619 N N7    . A   C 53  ? 0.5163 1.2503 0.5630 0.0764  -0.0088 0.1535  52  A   C N7    
3620 C C5    . A   C 53  ? 0.5152 1.2653 0.5811 0.0767  -0.0118 0.1471  52  A   C C5    
3621 C C6    . A   C 53  ? 0.5383 1.3190 0.6421 0.0783  -0.0090 0.1499  52  A   C C6    
3622 N N6    . A   C 53  ? 0.5796 1.3288 0.6794 0.0720  0.0047  0.1603  52  A   C N6    
3623 N N1    . A   C 53  ? 0.5300 1.3143 0.6540 0.0778  -0.0086 0.1322  52  A   C N1    
3624 C C2    . A   C 53  ? 0.5446 1.3181 0.6492 0.0773  -0.0145 0.1193  52  A   C C2    
3625 N N3    . A   C 53  ? 0.5387 1.2864 0.6104 0.0743  -0.0159 0.1203  52  A   C N3    
3626 C C4    . A   C 53  ? 0.5072 1.2422 0.5651 0.0741  -0.0137 0.1326  52  A   C C4    
3627 P P     . C   C 54  ? 0.3983 1.1043 0.4182 0.0351  -0.0084 0.0885  53  C   C P     
3628 O OP1   . C   C 54  ? 0.4200 1.1077 0.4389 0.0308  -0.0117 0.0835  53  C   C OP1   
3629 O OP2   . C   C 54  ? 0.4271 1.1341 0.4474 0.0383  -0.0074 0.0936  53  C   C OP2   
3630 O "O5'" . C   C 54  ? 0.4237 1.1666 0.4446 0.0292  -0.0076 0.0770  53  C   C "O5'" 
3631 C "C5'" . C   C 54  ? 0.4274 1.1823 0.4458 0.0245  -0.0077 0.0657  53  C   C "C5'" 
3632 C "C4'" . C   C 54  ? 0.4456 1.2220 0.4705 0.0267  -0.0089 0.0601  53  C   C "C4'" 
3633 O "O4'" . C   C 54  ? 0.4633 1.2296 0.4956 0.0354  -0.0098 0.0741  53  C   C "O4'" 
3634 C "C3'" . C   C 54  ? 0.4452 1.2504 0.4865 0.0207  -0.0113 0.0412  53  C   C "C3'" 
3635 O "O3'" . C   C 54  ? 0.4582 1.2807 0.4959 0.0146  -0.0113 0.0221  53  C   C "O3'" 
3636 C "C2'" . C   C 54  ? 0.4556 1.2704 0.5193 0.0270  -0.0117 0.0415  53  C   C "C2'" 
3637 O "O2'" . C   C 54  ? 0.4313 1.2559 0.4923 0.0305  -0.0120 0.0332  53  C   C "O2'" 
3638 C "C1'" . C   C 54  ? 0.4885 1.2782 0.5429 0.0364  -0.0118 0.0662  53  C   C "C1'" 
3639 N N1    . C   C 54  ? 0.5092 1.3018 0.5767 0.0363  -0.0104 0.0760  53  C   C N1    
3640 C C2    . C   C 54  ? 0.5371 1.3512 0.6431 0.0354  -0.0055 0.0713  53  C   C C2    
3641 O O2    . C   C 54  ? 0.5449 1.3714 0.6710 0.0361  -0.0040 0.0554  53  C   C O2    
3642 N N3    . C   C 54  ? 0.5742 1.3956 0.6981 0.0331  0.0020  0.0836  53  C   C N3    
3643 C C4    . C   C 54  ? 0.5643 1.3765 0.6639 0.0340  -0.0004 0.0981  53  C   C C4    
3644 N N4    . C   C 54  ? 0.5663 1.3908 0.6833 0.0310  0.0106  0.1119  53  C   C N4    
3645 C C5    . C   C 54  ? 0.5275 1.3164 0.5883 0.0366  -0.0072 0.0983  53  C   C C5    
3646 C C6    . C   C 54  ? 0.4924 1.2702 0.5425 0.0366  -0.0095 0.0880  53  C   C C6    
3647 P P     . U   C 55  ? 0.4526 1.2913 0.5027 0.0050  -0.0124 0.0013  54  U   C P     
3648 O OP1   . U   C 55  ? 0.4052 1.2584 0.4440 0.0027  -0.0123 -0.0141 54  U   C OP1   
3649 O OP2   . U   C 55  ? 0.4869 1.3113 0.5340 0.0029  -0.0124 0.0112  54  U   C OP2   
3650 O "O5'" . U   C 55  ? 0.4594 1.3176 0.5504 0.0017  -0.0100 -0.0133 54  U   C "O5'" 
3651 C "C5'" . U   C 55  ? 0.4572 1.3308 0.5648 0.0056  -0.0084 -0.0257 54  U   C "C5'" 
3652 C "C4'" . U   C 55  ? 0.4857 1.3699 0.6426 0.0022  -0.0001 -0.0357 54  U   C "C4'" 
3653 O "O4'" . U   C 55  ? 0.5368 1.4065 0.6997 0.0081  0.0032  -0.0098 54  U   C "O4'" 
3654 C "C3'" . U   C 55  ? 0.5073 1.3989 0.6913 -0.0113 0.0060  -0.0492 54  U   C "C3'" 
3655 O "O3'" . U   C 55  ? 0.5203 1.4312 0.7178 -0.0169 0.0050  -0.0811 54  U   C "O3'" 
3656 C "C2'" . U   C 55  ? 0.5046 1.3971 0.7310 -0.0143 0.0190  -0.0404 54  U   C "C2'" 
3657 O "O2'" . U   C 55  ? 0.4602 1.3691 0.7276 -0.0136 0.0244  -0.0621 54  U   C "O2'" 
3658 C "C1'" . U   C 55  ? 0.5332 1.4086 0.7331 -0.0010 0.0150  -0.0092 54  U   C "C1'" 
3659 N N1    . U   C 55  ? 0.5598 1.4213 0.7380 -0.0025 0.0147  0.0145  54  U   C N1    
3660 C C2    . U   C 55  ? 0.5958 1.4608 0.8002 -0.0102 0.0293  0.0270  54  U   C C2    
3661 O O2    . U   C 55  ? 0.6250 1.4856 0.8643 -0.0175 0.0424  0.0216  54  U   C O2    
3662 N N3    . U   C 55  ? 0.5935 1.4494 0.7731 -0.0095 0.0281  0.0464  54  U   C N3    
3663 C C4    . U   C 55  ? 0.6088 1.4522 0.7451 -0.0013 0.0123  0.0521  54  U   C C4    
3664 O O4    . U   C 55  ? 0.6205 1.4604 0.7407 0.0002  0.0118  0.0662  54  U   C O4    
3665 C C5    . U   C 55  ? 0.5794 1.4155 0.6928 0.0041  0.0006  0.0406  54  U   C C5    
3666 C C6    . U   C 55  ? 0.5406 1.3871 0.6733 0.0032  0.0023  0.0238  54  U   C C6    
3667 P P     . C   C 56  ? 0.5438 1.4591 0.7419 -0.0279 0.0036  -0.0961 55  C   C P     
3668 O OP1   . C   C 56  ? 0.4913 1.4245 0.6760 -0.0253 -0.0032 -0.1216 55  C   C OP1   
3669 O OP2   . C   C 56  ? 0.4987 1.3961 0.6701 -0.0289 0.0010  -0.0732 55  C   C OP2   
3670 O "O5'" . C   C 56  ? 0.5046 1.4292 0.7624 -0.0409 0.0165  -0.1118 55  C   C "O5'" 
3671 C "C5'" . C   C 56  ? 0.4918 1.4292 0.7918 -0.0407 0.0226  -0.1294 55  C   C "C5'" 
3672 C "C4'" . C   C 56  ? 0.5074 1.4452 0.8612 -0.0549 0.0383  -0.1274 55  C   C "C4'" 
3673 O "O4'" . C   C 56  ? 0.5307 1.4535 0.8749 -0.0511 0.0456  -0.0913 55  C   C "O4'" 
3674 C "C3'" . C   C 56  ? 0.5661 1.5022 0.9326 -0.0715 0.0447  -0.1298 55  C   C "C3'" 
3675 O "O3'" . C   C 56  ? 0.5717 1.5212 0.9659 -0.0792 0.0414  -0.1664 55  C   C "O3'" 
3676 C "C2'" . C   C 56  ? 0.6033 1.5213 0.9985 -0.0832 0.0627  -0.1071 55  C   C "C2'" 
3677 O "O2'" . C   C 56  ? 0.6251 1.5122 1.0594 -0.0892 0.0673  -0.1237 55  C   C "O2'" 
3678 C "C1'" . C   C 56  ? 0.5938 1.4914 0.9498 -0.0660 0.0591  -0.0755 55  C   C "C1'" 
3679 N N1    . C   C 56  ? 0.6100 1.5161 0.9302 -0.0625 0.0582  -0.0472 55  C   C N1    
3680 C C2    . C   C 56  ? 0.6854 1.5668 1.0036 -0.0713 0.0723  -0.0214 55  C   C C2    
3681 O O2    . C   C 56  ? 0.7509 1.5984 1.0958 -0.0837 0.0854  -0.0196 55  C   C O2    
3682 N N3    . C   C 56  ? 0.7018 1.5907 0.9870 -0.0655 0.0701  0.0010  55  C   C N3    
3683 C C4    . C   C 56  ? 0.6785 1.5599 0.9197 -0.0506 0.0495  -0.0005 55  C   C C4    
3684 N N4    . C   C 56  ? 0.6852 1.5578 0.8914 -0.0435 0.0434  0.0182  55  C   C N4    
3685 C C5    . C   C 56  ? 0.6364 1.5204 0.8678 -0.0431 0.0351  -0.0213 55  C   C C5    
3686 C C6    . C   C 56  ? 0.6117 1.5087 0.8807 -0.0485 0.0404  -0.0437 55  C   C C6    
3687 P P     . U   C 57  ? 0.5924 1.5424 1.0048 -0.0958 0.0465  -0.1754 56  U   C P     
3688 O OP1   . U   C 57  ? 0.6175 1.5813 1.0351 -0.0939 0.0348  -0.2133 56  U   C OP1   
3689 O OP2   . U   C 57  ? 0.5684 1.5061 0.9421 -0.0950 0.0473  -0.1467 56  U   C OP2   
3690 O "O5'" . U   C 57  ? 0.5785 1.5292 1.0586 -0.1167 0.0661  -0.1768 56  U   C "O5'" 
3691 C "C5'" . U   C 57  ? 0.6470 1.6009 1.1698 -0.1361 0.0737  -0.1952 56  U   C "C5'" 
3692 C "C4'" . U   C 57  ? 0.7102 1.6451 1.2535 -0.1554 0.0954  -0.1664 56  U   C "C4'" 
3693 O "O4'" . U   C 57  ? 0.7645 1.6699 1.2636 -0.1443 0.0997  -0.1248 56  U   C "O4'" 
3694 C "C3'" . U   C 57  ? 0.7438 1.6877 1.2795 -0.1654 0.1020  -0.1592 56  U   C "C3'" 
3695 O "O3'" . U   C 57  ? 0.7381 1.6890 1.3138 -0.1783 0.1010  -0.1908 56  U   C "O3'" 
3696 C "C2'" . U   C 57  ? 0.7419 1.6684 1.2791 -0.1784 0.1244  -0.1197 56  U   C "C2'" 
3697 O "O2'" . U   C 57  ? 0.7735 1.6628 1.3572 -0.1983 0.1383  -0.1189 56  U   C "O2'" 
3698 C "C1'" . U   C 57  ? 0.7565 1.6544 1.2490 -0.1569 0.1165  -0.0955 56  U   C "C1'" 
3699 N N1    . U   C 57  ? 0.7478 1.6666 1.1883 -0.1416 0.1107  -0.0733 56  U   C N1    
3700 C C2    . U   C 57  ? 0.7792 1.6954 1.2039 -0.1481 0.1248  -0.0448 56  U   C C2    
3701 O O2    . U   C 57  ? 0.8020 1.7029 1.2517 -0.1677 0.1442  -0.0343 56  U   C O2    
3702 N N3    . U   C 57  ? 0.7661 1.6752 1.1339 -0.1277 0.1120  -0.0280 56  U   C N3    
3703 C C4    . U   C 57  ? 0.7381 1.6434 1.0663 -0.1057 0.0883  -0.0332 56  U   C C4    
3704 O O4    . U   C 57  ? 0.7468 1.6450 1.0311 -0.0915 0.0776  -0.0174 56  U   C O4    
3705 C C5    . U   C 57  ? 0.7335 1.6445 1.0781 -0.1025 0.0784  -0.0583 56  U   C C5    
3706 C C6    . U   C 57  ? 0.7368 1.6574 1.1354 -0.1186 0.0891  -0.0785 56  U   C C6    
3707 P P     . G   C 58  ? 0.7873 1.7474 1.3295 -0.1640 0.0801  -0.2158 57  G   C P     
3708 O OP1   . G   C 58  ? 0.8276 1.7967 1.3909 -0.1587 0.0662  -0.2552 57  G   C OP1   
3709 O OP2   . G   C 58  ? 0.8025 1.7576 1.2762 -0.1449 0.0693  -0.1929 57  G   C OP2   
3710 O "O5'" . G   C 58  ? 0.7834 1.7471 1.3537 -0.1818 0.0912  -0.2197 57  G   C "O5'" 
3711 C "C5'" . G   C 58  ? 0.7897 1.7526 1.3247 -0.1789 0.0948  -0.1967 57  G   C "C5'" 
3712 C "C4'" . G   C 58  ? 0.7715 1.7274 1.3207 -0.1942 0.1199  -0.1622 57  G   C "C4'" 
3713 O "O4'" . G   C 58  ? 0.7599 1.7054 1.2780 -0.1833 0.1207  -0.1351 57  G   C "O4'" 
3714 C "C3'" . G   C 58  ? 0.7734 1.7331 1.2983 -0.1943 0.1267  -0.1450 57  G   C "C3'" 
3715 O "O3'" . G   C 58  ? 0.7922 1.7629 1.3577 -0.2114 0.1361  -0.1610 57  G   C "O3'" 
3716 C "C2'" . G   C 58  ? 0.7804 1.7295 1.2929 -0.1989 0.1463  -0.1047 57  G   C "C2'" 
3717 O "O2'" . G   C 58  ? 0.8092 1.7547 1.3750 -0.2268 0.1722  -0.0952 57  G   C "O2'" 
3718 C "C1'" . G   C 58  ? 0.7634 1.7034 1.2550 -0.1840 0.1343  -0.1002 57  G   C "C1'" 
3719 N N9    . G   C 58  ? 0.7599 1.6953 1.1880 -0.1580 0.1147  -0.0897 57  G   C N9    
3720 C C8    . G   C 58  ? 0.8019 1.7350 1.2055 -0.1404 0.0932  -0.1021 57  G   C C8    
3721 N N7    . G   C 58  ? 0.8199 1.7462 1.1705 -0.1213 0.0779  -0.0886 57  G   C N7    
3722 C C5    . G   C 58  ? 0.7764 1.7025 1.1160 -0.1244 0.0882  -0.0689 57  G   C C5    
3723 C C6    . G   C 58  ? 0.7535 1.6752 1.0452 -0.1083 0.0767  -0.0518 57  G   C C6    
3724 O O6    . G   C 58  ? 0.7644 1.6786 1.0165 -0.0905 0.0561  -0.0490 57  G   C O6    
3725 N N1    . G   C 58  ? 0.7362 1.6638 1.0305 -0.1155 0.0919  -0.0379 57  G   C N1    
3726 C C2    . G   C 58  ? 0.7386 1.6726 1.0747 -0.1374 0.1175  -0.0369 57  G   C C2    
3727 N N2    . G   C 58  ? 0.7534 1.6934 1.0804 -0.1408 0.1305  -0.0212 57  G   C N2    
3728 N N3    . G   C 58  ? 0.7498 1.6852 1.1338 -0.1551 0.1289  -0.0507 57  G   C N3    
3729 C C4    . G   C 58  ? 0.7343 1.6665 1.1183 -0.1465 0.1121  -0.0680 57  G   C C4    
3730 P P     . G   C 59  ? 0.6792 1.6638 1.2293 -0.2005 0.1165  -0.1906 58  G   C P     
3731 O OP1   . G   C 59  ? 0.7310 1.7278 1.3270 -0.2209 0.1329  -0.1984 58  G   C OP1   
3732 O OP2   . G   C 59  ? 0.7192 1.7032 1.2562 -0.1859 0.0927  -0.2189 58  G   C OP2   
3733 O "O5'" . G   C 59  ? 0.6762 1.6600 1.1650 -0.1816 0.1074  -0.1711 58  G   C "O5'" 
3734 C "C5'" . G   C 59  ? 0.6589 1.6559 1.1447 -0.1843 0.1133  -0.1694 58  G   C "C5'" 
3735 C "C4'" . G   C 59  ? 0.6441 1.6380 1.1013 -0.1811 0.1257  -0.1353 58  G   C "C4'" 
3736 O "O4'" . G   C 59  ? 0.6897 1.6656 1.1165 -0.1701 0.1218  -0.1126 58  G   C "O4'" 
3737 C "C3'" . G   C 59  ? 0.5951 1.5996 1.0113 -0.1648 0.1110  -0.1377 58  G   C "C3'" 
3738 O "O3'" . G   C 59  ? 0.5346 1.5601 0.9766 -0.1755 0.1211  -0.1504 58  G   C "O3'" 
3739 C "C2'" . G   C 59  ? 0.6342 1.6294 1.0132 -0.1554 0.1161  -0.1039 58  G   C "C2'" 
3740 O "O2'" . G   C 59  ? 0.6305 1.6327 1.0277 -0.1706 0.1447  -0.0835 58  G   C "O2'" 
3741 C "C1'" . G   C 59  ? 0.6542 1.6289 1.0331 -0.1544 0.1156  -0.0925 58  G   C "C1'" 
3742 N N9    . G   C 59  ? 0.6559 1.6200 0.9912 -0.1325 0.0882  -0.0954 58  G   C N9    
3743 C C8    . G   C 59  ? 0.6719 1.6283 1.0096 -0.1284 0.0749  -0.1111 58  G   C C8    
3744 N N7    . G   C 59  ? 0.6516 1.5981 0.9451 -0.1096 0.0539  -0.1073 58  G   C N7    
3745 C C5    . G   C 59  ? 0.6334 1.5804 0.8956 -0.1001 0.0510  -0.0893 58  G   C C5    
3746 C C6    . G   C 59  ? 0.5902 1.5270 0.8034 -0.0805 0.0318  -0.0779 58  G   C C6    
3747 O O6    . G   C 59  ? 0.6048 1.5275 0.7916 -0.0690 0.0165  -0.0790 58  G   C O6    
3748 N N1    . G   C 59  ? 0.5821 1.5263 0.7781 -0.0748 0.0333  -0.0638 58  G   C N1    
3749 C C2    . G   C 59  ? 0.5785 1.5395 0.7988 -0.0869 0.0528  -0.0601 58  G   C C2    
3750 N N2    . G   C 59  ? 0.5724 1.5432 0.7689 -0.0774 0.0506  -0.0479 58  G   C N2    
3751 N N3    . G   C 59  ? 0.5907 1.5585 0.8557 -0.1071 0.0741  -0.0676 58  G   C N3    
3752 C C4    . G   C 59  ? 0.6364 1.5961 0.9223 -0.1129 0.0714  -0.0825 58  G   C C4    
3753 P P     . U   C 60  ? 0.5955 1.6356 1.0327 -0.1663 0.0992  -0.1854 59  U   C P     
3754 O OP1   . U   C 60  ? 0.6281 1.6891 1.1149 -0.1850 0.1156  -0.2014 59  U   C OP1   
3755 O OP2   . U   C 60  ? 0.5935 1.6189 1.0139 -0.1543 0.0762  -0.2019 59  U   C OP2   
3756 O "O5'" . U   C 60  ? 0.5486 1.5969 0.9393 -0.1487 0.0879  -0.1769 59  U   C "O5'" 
3757 C "C5'" . U   C 60  ? 0.5228 1.5823 0.9105 -0.1534 0.1070  -0.1538 59  U   C "C5'" 
3758 C "C4'" . U   C 60  ? 0.5037 1.5641 0.8395 -0.1318 0.0896  -0.1437 59  U   C "C4'" 
3759 O "O4'" . U   C 60  ? 0.5263 1.5622 0.8330 -0.1223 0.0839  -0.1196 59  U   C "O4'" 
3760 C "C3'" . U   C 60  ? 0.4844 1.5457 0.7930 -0.1137 0.0603  -0.1682 59  U   C "C3'" 
3761 O "O3'" . U   C 60  ? 0.4342 1.5215 0.7571 -0.1152 0.0596  -0.1918 59  U   C "O3'" 
3762 C "C2'" . U   C 60  ? 0.4783 1.5274 0.7370 -0.0938 0.0454  -0.1484 59  U   C "C2'" 
3763 O "O2'" . U   C 60  ? 0.4626 1.5343 0.7105 -0.0897 0.0514  -0.1399 59  U   C "O2'" 
3764 C "C1'" . U   C 60  ? 0.5087 1.5381 0.7695 -0.0998 0.0569  -0.1217 59  U   C "C1'" 
3765 N N1    . U   C 60  ? 0.4943 1.4987 0.7421 -0.0931 0.0414  -0.1252 59  U   C N1    
3766 C C2    . U   C 60  ? 0.4895 1.4772 0.6922 -0.0732 0.0212  -0.1176 59  U   C C2    
3767 O O2    . U   C 60  ? 0.4656 1.4578 0.6417 -0.0609 0.0147  -0.1103 59  U   C O2    
3768 N N3    . U   C 60  ? 0.5302 1.4954 0.7216 -0.0684 0.0110  -0.1193 59  U   C N3    
3769 C C4    . U   C 60  ? 0.5069 1.4694 0.7260 -0.0796 0.0159  -0.1306 59  U   C C4    
3770 O O4    . U   C 60  ? 0.4829 1.4288 0.6859 -0.0726 0.0059  -0.1315 59  U   C O4    
3771 C C5    . U   C 60  ? 0.5427 1.5229 0.8099 -0.0991 0.0350  -0.1402 59  U   C C5    
3772 C C6    . U   C 60  ? 0.5421 1.5402 0.8221 -0.1059 0.0483  -0.1357 59  U   C C6    
3773 P P     . A   C 61  ? 0.4695 1.5538 0.7910 -0.1063 0.0384  -0.2253 60  A   C P     
3774 O OP1   . A   C 61  ? 0.4597 1.5755 0.8046 -0.1110 0.0432  -0.2485 60  A   C OP1   
3775 O OP2   . A   C 61  ? 0.4377 1.5035 0.7766 -0.1132 0.0369  -0.2319 60  A   C OP2   
3776 O "O5'" . A   C 61  ? 0.3909 1.4562 0.6589 -0.0811 0.0156  -0.2191 60  A   C "O5'" 
3777 C "C5'" . A   C 61  ? 0.3844 1.4636 0.6298 -0.0701 0.0131  -0.2132 60  A   C "C5'" 
3778 C "C4'" . A   C 61  ? 0.3942 1.4439 0.5954 -0.0474 -0.0047 -0.2034 60  A   C "C4'" 
3779 O "O4'" . A   C 61  ? 0.4428 1.4680 0.6259 -0.0468 -0.0041 -0.1764 60  A   C "O4'" 
3780 C "C3'" . A   C 61  ? 0.3927 1.4157 0.5878 -0.0354 -0.0198 -0.2191 60  A   C "C3'" 
3781 O "O3'" . A   C 61  ? 0.3770 1.4130 0.5791 -0.0269 -0.0258 -0.2419 60  A   C "O3'" 
3782 C "C2'" . A   C 61  ? 0.4301 1.4138 0.5914 -0.0201 -0.0284 -0.1946 60  A   C "C2'" 
3783 O "O2'" . A   C 61  ? 0.3578 1.3388 0.5021 -0.0051 -0.0325 -0.1895 60  A   C "O2'" 
3784 C "C1'" . A   C 61  ? 0.4145 1.4023 0.5719 -0.0311 -0.0180 -0.1722 60  A   C "C1'" 
3785 N N9    . A   C 61  ? 0.4369 1.4082 0.6013 -0.0389 -0.0177 -0.1689 60  A   C N9    
3786 C C8    . A   C 61  ? 0.4389 1.4251 0.6355 -0.0571 -0.0076 -0.1769 60  A   C C8    
3787 N N7    . A   C 61  ? 0.4233 1.3915 0.6182 -0.0586 -0.0102 -0.1734 60  A   C N7    
3788 C C5    . A   C 61  ? 0.4054 1.3451 0.5644 -0.0415 -0.0215 -0.1599 60  A   C C5    
3789 C C6    . A   C 61  ? 0.4063 1.3199 0.5480 -0.0351 -0.0275 -0.1497 60  A   C C6    
3790 N N6    . A   C 61  ? 0.4429 1.3590 0.5961 -0.0432 -0.0251 -0.1548 60  A   C N6    
3791 N N1    . A   C 61  ? 0.4345 1.3184 0.5513 -0.0204 -0.0353 -0.1343 60  A   C N1    
3792 C C2    . A   C 61  ? 0.4520 1.3313 0.5625 -0.0115 -0.0383 -0.1314 60  A   C C2    
3793 N N3    . A   C 61  ? 0.4423 1.3485 0.5623 -0.0139 -0.0342 -0.1425 60  A   C N3    
3794 C C4    . A   C 61  ? 0.4336 1.3712 0.5772 -0.0298 -0.0255 -0.1560 60  A   C C4    
3795 P P     . U   C 62  ? 0.3986 1.4231 0.6164 -0.0220 -0.0368 -0.2662 61  U   C P     
3796 O OP1   . U   C 62  ? 0.3951 1.4394 0.6210 -0.0131 -0.0409 -0.2875 61  U   C OP1   
3797 O OP2   . U   C 62  ? 0.4205 1.4538 0.6641 -0.0387 -0.0305 -0.2771 61  U   C OP2   
3798 O "O5'" . U   C 62  ? 0.4108 1.3845 0.6040 -0.0056 -0.0517 -0.2469 61  U   C "O5'" 
3799 C "C5'" . U   C 62  ? 0.4193 1.3786 0.5955 0.0116  -0.0607 -0.2394 61  U   C "C5'" 
3800 C "C4'" . U   C 62  ? 0.4071 1.3331 0.5636 0.0208  -0.0699 -0.2193 61  U   C "C4'" 
3801 O "O4'" . U   C 62  ? 0.4118 1.3228 0.5563 0.0116  -0.0609 -0.1952 61  U   C "O4'" 
3802 C "C3'" . U   C 62  ? 0.4202 1.3358 0.5824 0.0231  -0.0810 -0.2277 61  U   C "C3'" 
3803 O "O3'" . U   C 62  ? 0.4163 1.3331 0.5847 0.0368  -0.0961 -0.2429 61  U   C "O3'" 
3804 C "C2'" . U   C 62  ? 0.3947 1.2820 0.5374 0.0232  -0.0825 -0.2005 61  U   C "C2'" 
3805 O "O2'" . U   C 62  ? 0.3743 1.2428 0.5044 0.0357  -0.0923 -0.1863 61  U   C "O2'" 
3806 C "C1'" . U   C 62  ? 0.3908 1.2809 0.5285 0.0121  -0.0668 -0.1866 61  U   C "C1'" 
3807 N N1    . U   C 62  ? 0.3916 1.2882 0.5420 -0.0028 -0.0591 -0.1920 61  U   C N1    
3808 C C2    . U   C 62  ? 0.3855 1.2650 0.5262 -0.0047 -0.0601 -0.1795 61  U   C C2    
3809 O O2    . U   C 62  ? 0.4070 1.2681 0.5301 0.0043  -0.0664 -0.1640 61  U   C O2    
3810 N N3    . U   C 62  ? 0.3598 1.2559 0.5139 -0.0172 -0.0526 -0.1896 61  U   C N3    
3811 C C4    . U   C 62  ? 0.3523 1.2826 0.5321 -0.0301 -0.0437 -0.2108 61  U   C C4    
3812 O O4    . U   C 62  ? 0.3553 1.2973 0.5512 -0.0414 -0.0381 -0.2196 61  U   C O4    
3813 C C5    . U   C 62  ? 0.3735 1.3218 0.5625 -0.0292 -0.0419 -0.2211 61  U   C C5    
3814 C C6    . U   C 62  ? 0.3835 1.3152 0.5560 -0.0151 -0.0495 -0.2120 61  U   C C6    
3815 P P     . C   C 63  ? 0.4177 1.3298 0.5955 0.0409  -0.1111 -0.2563 62  C   C P     
3816 O OP1   . C   C 63  ? 0.4322 1.3398 0.6135 0.0565  -0.1286 -0.2651 62  C   C OP1   
3817 O OP2   . C   C 63  ? 0.4147 1.3477 0.6110 0.0302  -0.1036 -0.2777 62  C   C OP2   
3818 O "O5'" . C   C 63  ? 0.4085 1.2928 0.5677 0.0388  -0.1154 -0.2298 62  C   C "O5'" 
3819 C "C5'" . C   C 63  ? 0.4196 1.2783 0.5668 0.0481  -0.1324 -0.2132 62  C   C "C5'" 
3820 C "C4'" . C   C 63  ? 0.4188 1.2620 0.5536 0.0428  -0.1352 -0.1958 62  C   C "C4'" 
3821 O "O4'" . C   C 63  ? 0.3968 1.2427 0.5244 0.0326  -0.1160 -0.1846 62  C   C "O4'" 
3822 C "C3'" . C   C 63  ? 0.4314 1.2854 0.5744 0.0407  -0.1412 -0.2120 62  C   C "C3'" 
3823 O "O3'" . C   C 63  ? 0.4572 1.3031 0.6027 0.0496  -0.1639 -0.2172 62  C   C "O3'" 
3824 C "C2'" . C   C 63  ? 0.4214 1.2684 0.5505 0.0328  -0.1337 -0.1946 62  C   C "C2'" 
3825 O "O2'" . C   C 63  ? 0.4306 1.2544 0.5435 0.0363  -0.1467 -0.1708 62  C   C "O2'" 
3826 C "C1'" . C   C 63  ? 0.3973 1.2455 0.5227 0.0264  -0.1144 -0.1848 62  C   C "C1'" 
3827 N N1    . C   C 63  ? 0.3874 1.2557 0.5263 0.0163  -0.0998 -0.2017 62  C   C N1    
3828 C C2    . C   C 63  ? 0.3803 1.2494 0.5161 0.0082  -0.0922 -0.1981 62  C   C C2    
3829 O O2    . C   C 63  ? 0.3816 1.2386 0.5018 0.0102  -0.0962 -0.1816 62  C   C O2    
3830 N N3    . C   C 63  ? 0.3745 1.2578 0.5267 -0.0024 -0.0817 -0.2131 62  C   C N3    
3831 C C4    . C   C 63  ? 0.3752 1.2732 0.5462 -0.0066 -0.0774 -0.2295 62  C   C C4    
3832 N N4    . C   C 63  ? 0.3733 1.2868 0.5654 -0.0195 -0.0677 -0.2435 62  C   C N4    
3833 C C5    . C   C 63  ? 0.3812 1.2830 0.5529 0.0019  -0.0828 -0.2338 62  C   C C5    
3834 C C6    . C   C 63  ? 0.3870 1.2731 0.5427 0.0139  -0.0943 -0.2205 62  C   C C6    
3835 P P     . A   C 64  ? 0.4753 1.3400 0.6371 0.0519  -0.1719 -0.2455 63  A   C P     
3836 O OP1   . A   C 64  ? 0.5012 1.3564 0.6677 0.0634  -0.1953 -0.2515 63  A   C OP1   
3837 O OP2   . A   C 64  ? 0.4610 1.3523 0.6399 0.0447  -0.1526 -0.2680 63  A   C OP2   
3838 O "O5'" . A   C 64  ? 0.4820 1.3416 0.6311 0.0473  -0.1763 -0.2350 63  A   C "O5'" 
3839 C "C5'" . A   C 64  ? 0.5112 1.3632 0.6554 0.0527  -0.1994 -0.2350 63  A   C "C5'" 
3840 C "C4'" . A   C 64  ? 0.5139 1.3628 0.6407 0.0471  -0.1994 -0.2195 63  A   C "C4'" 
3841 O "O4'" . A   C 64  ? 0.5365 1.3611 0.6456 0.0491  -0.2214 -0.1952 63  A   C "O4'" 
3842 C "C3'" . A   C 64  ? 0.4848 1.3345 0.6029 0.0386  -0.1767 -0.2046 63  A   C "C3'" 
3843 O "O3'" . A   C 64  ? 0.4843 1.3478 0.5976 0.0338  -0.1692 -0.2082 63  A   C "O3'" 
3844 C "C2'" . A   C 64  ? 0.4869 1.3105 0.5868 0.0387  -0.1849 -0.1729 63  A   C "C2'" 
3845 O "O2'" . A   C 64  ? 0.5078 1.3295 0.5937 0.0321  -0.1712 -0.1540 63  A   C "O2'" 
3846 C "C1'" . A   C 64  ? 0.5220 1.3345 0.6144 0.0429  -0.2123 -0.1681 63  A   C "C1'" 
3847 N N9    . A   C 64  ? 0.5352 1.3188 0.6198 0.0448  -0.2303 -0.1458 63  A   C N9    
3848 C C8    . A   C 64  ? 0.5544 1.3176 0.6220 0.0417  -0.2468 -0.1199 63  A   C C8    
3849 N N7    . A   C 64  ? 0.5643 1.3010 0.6324 0.0435  -0.2629 -0.1053 63  A   C N7    
3850 C C5    . A   C 64  ? 0.5498 1.2929 0.6348 0.0495  -0.2549 -0.1236 63  A   C C5    
3851 C C6    . A   C 64  ? 0.5522 1.2795 0.6460 0.0551  -0.2640 -0.1226 63  A   C C6    
3852 N N6    . A   C 64  ? 0.5708 1.2679 0.6598 0.0545  -0.2861 -0.1011 63  A   C N6    
3853 N N1    . A   C 64  ? 0.5741 1.3195 0.6829 0.0611  -0.2501 -0.1455 63  A   C N1    
3854 C C2    . A   C 64  ? 0.5512 1.3254 0.6671 0.0596  -0.2302 -0.1666 63  A   C C2    
3855 N N3    . A   C 64  ? 0.5170 1.3054 0.6282 0.0539  -0.2217 -0.1700 63  A   C N3    
3856 C C4    . A   C 64  ? 0.5319 1.3043 0.6266 0.0498  -0.2343 -0.1480 63  A   C C4    
3857 P P     . C   C 65  ? 0.5074 1.3883 0.6268 0.0372  -0.1803 -0.2307 64  C   C P     
3858 O OP1   . C   C 65  ? 0.5326 1.3998 0.6303 0.0398  -0.1998 -0.2099 64  C   C OP1   
3859 O OP2   . C   C 65  ? 0.5143 1.4091 0.6580 0.0415  -0.1832 -0.2614 64  C   C OP2   
3860 O "O5'" . C   C 65  ? 0.4919 1.3912 0.6139 0.0304  -0.1618 -0.2397 64  C   C "O5'" 
3861 C "C5'" . C   C 65  ? 0.4765 1.3705 0.5819 0.0250  -0.1503 -0.2175 64  C   C "C5'" 
3862 C "C4'" . C   C 65  ? 0.4623 1.3638 0.5791 0.0173  -0.1292 -0.2254 64  C   C "C4'" 
3863 O "O4'" . C   C 65  ? 0.4615 1.3540 0.5880 0.0150  -0.1223 -0.2238 64  C   C "O4'" 
3864 C "C3'" . C   C 65  ? 0.4541 1.3767 0.5918 0.0146  -0.1247 -0.2568 64  C   C "C3'" 
3865 O "O3'" . C   C 65  ? 0.4807 1.4064 0.6200 0.0069  -0.1098 -0.2555 64  C   C "O3'" 
3866 C "C2'" . C   C 65  ? 0.4493 1.3740 0.6101 0.0126  -0.1220 -0.2742 64  C   C "C2'" 
3867 O "O2'" . C   C 65  ? 0.4529 1.3916 0.6386 0.0048  -0.1124 -0.2988 64  C   C "O2'" 
3868 C "C1'" . C   C 65  ? 0.4295 1.3367 0.5801 0.0096  -0.1138 -0.2498 64  C   C "C1'" 
3869 N N1    . C   C 65  ? 0.4276 1.3341 0.5907 0.0109  -0.1144 -0.2568 64  C   C N1    
3870 C C2    . C   C 65  ? 0.4160 1.3320 0.5993 0.0017  -0.1015 -0.2704 64  C   C C2    
3871 O O2    . C   C 65  ? 0.4084 1.3293 0.6011 -0.0080 -0.0918 -0.2756 64  C   C O2    
3872 N N3    . C   C 65  ? 0.4160 1.3365 0.6101 0.0030  -0.1012 -0.2778 64  C   C N3    
3873 C C4    . C   C 65  ? 0.4263 1.3405 0.6130 0.0144  -0.1135 -0.2740 64  C   C C4    
3874 N N4    . C   C 65  ? 0.4269 1.3491 0.6251 0.0166  -0.1124 -0.2842 64  C   C N4    
3875 C C5    . C   C 65  ? 0.4393 1.3390 0.6078 0.0232  -0.1289 -0.2594 64  C   C C5    
3876 C C6    . C   C 65  ? 0.4395 1.3367 0.5963 0.0203  -0.1282 -0.2505 64  C   C C6    
3877 P P     . G   C 66  ? 0.5290 1.4680 0.6581 0.0081  -0.1090 -0.2574 65  G   C P     
3878 O OP1   . G   C 66  ? 0.5291 1.4836 0.6600 0.0159  -0.1234 -0.2756 65  G   C OP1   
3879 O OP2   . G   C 66  ? 0.4945 1.4453 0.6384 0.0002  -0.0943 -0.2702 65  G   C OP2   
3880 O "O5'" . G   C 66  ? 0.4398 1.3673 0.5405 0.0097  -0.1083 -0.2231 65  G   C "O5'" 
3881 C "C5'" . G   C 66  ? 0.4180 1.3368 0.5127 0.0041  -0.0945 -0.2066 65  G   C "C5'" 
3882 C "C4'" . G   C 66  ? 0.4158 1.3230 0.4877 0.0060  -0.0955 -0.1746 65  G   C "C4'" 
3883 O "O4'" . G   C 66  ? 0.4318 1.3286 0.4976 0.0107  -0.1105 -0.1656 65  G   C "O4'" 
3884 C "C3'" . G   C 66  ? 0.3931 1.2816 0.4610 0.0021  -0.0847 -0.1544 65  G   C "C3'" 
3885 O "O3'" . G   C 66  ? 0.3961 1.2902 0.4620 -0.0016 -0.0731 -0.1524 65  G   C "O3'" 
3886 C "C2'" . G   C 66  ? 0.3992 1.2733 0.4515 0.0053  -0.0926 -0.1275 65  G   C "C2'" 
3887 O "O2'" . G   C 66  ? 0.4018 1.2832 0.4398 0.0045  -0.0895 -0.1112 65  G   C "O2'" 
3888 C "C1'" . G   C 66  ? 0.4242 1.3014 0.4781 0.0102  -0.1103 -0.1374 65  G   C "C1'" 
3889 N N9    . G   C 66  ? 0.4266 1.2865 0.4872 0.0131  -0.1195 -0.1368 65  G   C N9    
3890 C C8    . G   C 66  ? 0.4470 1.2928 0.5013 0.0174  -0.1382 -0.1259 65  G   C C8    
3891 N N7    . G   C 66  ? 0.4463 1.2797 0.5102 0.0207  -0.1442 -0.1303 65  G   C N7    
3892 C C5    . G   C 66  ? 0.4243 1.2667 0.5007 0.0177  -0.1272 -0.1446 65  G   C C5    
3893 C C6    . G   C 66  ? 0.4205 1.2610 0.5103 0.0188  -0.1237 -0.1553 65  G   C C6    
3894 O O6    . G   C 66  ? 0.4353 1.2666 0.5294 0.0244  -0.1347 -0.1562 65  G   C O6    
3895 N N1    . G   C 66  ? 0.4132 1.2647 0.5123 0.0123  -0.1066 -0.1660 65  G   C N1    
3896 C C2    . G   C 66  ? 0.4042 1.2643 0.5019 0.0061  -0.0959 -0.1677 65  G   C C2    
3897 N N2    . G   C 66  ? 0.3853 1.2509 0.4955 -0.0013 -0.0837 -0.1776 65  G   C N2    
3898 N N3    . G   C 66  ? 0.4047 1.2684 0.4906 0.0068  -0.0984 -0.1603 65  G   C N3    
3899 C C4    . G   C 66  ? 0.4261 1.2822 0.5011 0.0124  -0.1133 -0.1484 65  G   C C4    
3900 P P     . G   C 67  ? 0.4434 1.3337 0.5151 -0.0071 -0.0602 -0.1494 66  G   C P     
3901 O OP1   . G   C 67  ? 0.4189 1.3231 0.4802 -0.0075 -0.0512 -0.1405 66  G   C OP1   
3902 O OP2   . G   C 67  ? 0.4330 1.3405 0.5269 -0.0122 -0.0576 -0.1775 66  G   C OP2   
3903 O "O5'" . G   C 67  ? 0.4279 1.2864 0.4938 -0.0056 -0.0632 -0.1268 66  G   C "O5'" 
3904 C "C5'" . G   C 67  ? 0.4011 1.2444 0.4549 -0.0051 -0.0576 -0.1017 66  G   C "C5'" 
3905 C "C4'" . G   C 67  ? 0.3697 1.1977 0.4187 -0.0008 -0.0646 -0.0873 66  G   C "C4'" 
3906 O "O4'" . G   C 67  ? 0.3922 1.2247 0.4520 0.0011  -0.0733 -0.1054 66  G   C "O4'" 
3907 C "C3'" . G   C 67  ? 0.3284 1.1386 0.3759 -0.0004 -0.0591 -0.0733 66  G   C "C3'" 
3908 O "O3'" . G   C 67  ? 0.3393 1.1394 0.3761 0.0005  -0.0546 -0.0510 66  G   C "O3'" 
3909 C "C2'" . G   C 67  ? 0.3372 1.1397 0.3882 0.0046  -0.0695 -0.0749 66  G   C "C2'" 
3910 O "O2'" . G   C 67  ? 0.3489 1.1410 0.3922 0.0084  -0.0802 -0.0593 66  G   C "O2'" 
3911 C "C1'" . G   C 67  ? 0.3553 1.1743 0.4174 0.0038  -0.0754 -0.0997 66  G   C "C1'" 
3912 N N9    . G   C 67  ? 0.3574 1.1844 0.4339 -0.0003 -0.0695 -0.1178 66  G   C N9    
3913 C C8    . G   C 67  ? 0.3693 1.2080 0.4574 -0.0077 -0.0627 -0.1333 66  G   C C8    
3914 N N7    . G   C 67  ? 0.3402 1.1870 0.4443 -0.0127 -0.0592 -0.1469 66  G   C N7    
3915 C C5    . G   C 67  ? 0.3486 1.1871 0.4488 -0.0066 -0.0635 -0.1403 66  G   C C5    
3916 C C6    . G   C 67  ? 0.3451 1.1902 0.4569 -0.0078 -0.0618 -0.1494 66  G   C C6    
3917 O O6    . G   C 67  ? 0.3365 1.2029 0.4659 -0.0166 -0.0547 -0.1654 66  G   C O6    
3918 N N1    . G   C 67  ? 0.3509 1.1883 0.4542 0.0020  -0.0684 -0.1416 66  G   C N1    
3919 C C2    . G   C 67  ? 0.3556 1.1770 0.4451 0.0101  -0.0772 -0.1256 66  G   C C2    
3920 N N2    . G   C 67  ? 0.3517 1.1643 0.4393 0.0186  -0.0859 -0.1213 66  G   C N2    
3921 N N3    . G   C 67  ? 0.3956 1.2107 0.4756 0.0090  -0.0786 -0.1151 66  G   C N3    
3922 C C4    . G   C 67  ? 0.3717 1.1977 0.4561 0.0015  -0.0707 -0.1237 66  G   C C4    
3923 P P     . U   C 68  ? 0.3511 1.1392 0.3859 -0.0007 -0.0443 -0.0397 67  U   C P     
3924 O OP1   . U   C 68  ? 0.3193 1.1013 0.3453 0.0005  -0.0407 -0.0197 67  U   C OP1   
3925 O OP2   . U   C 68  ? 0.3344 1.1349 0.3781 -0.0061 -0.0392 -0.0571 67  U   C OP2   
3926 O "O5'" . U   C 68  ? 0.3088 1.0825 0.3448 0.0036  -0.0473 -0.0334 67  U   C "O5'" 
3927 C "C5'" . U   C 68  ? 0.3157 1.0793 0.3499 0.0088  -0.0574 -0.0252 67  U   C "C5'" 
3928 C "C4'" . U   C 68  ? 0.3790 1.1374 0.4185 0.0133  -0.0611 -0.0312 67  U   C "C4'" 
3929 O "O4'" . U   C 68  ? 0.3844 1.1582 0.4331 0.0115  -0.0638 -0.0535 67  U   C "O4'" 
3930 C "C3'" . U   C 68  ? 0.3786 1.1336 0.4170 0.0132  -0.0510 -0.0264 67  U   C "C3'" 
3931 O "O3'" . U   C 68  ? 0.3589 1.0972 0.3912 0.0177  -0.0501 -0.0074 67  U   C "O3'" 
3932 C "C2'" . U   C 68  ? 0.3896 1.1533 0.4355 0.0155  -0.0539 -0.0413 67  U   C "C2'" 
3933 O "O2'" . U   C 68  ? 0.3683 1.1209 0.4140 0.0243  -0.0639 -0.0375 67  U   C "O2'" 
3934 C "C1'" . U   C 68  ? 0.3508 1.1289 0.4049 0.0119  -0.0591 -0.0605 67  U   C "C1'" 
3935 N N1    . U   C 68  ? 0.3301 1.1233 0.3927 0.0031  -0.0515 -0.0745 67  U   C N1    
3936 C C2    . U   C 68  ? 0.3801 1.1854 0.4538 0.0006  -0.0498 -0.0882 67  U   C C2    
3937 O O2    . U   C 68  ? 0.3991 1.2052 0.4728 0.0070  -0.0533 -0.0897 67  U   C O2    
3938 N N3    . U   C 68  ? 0.3755 1.2054 0.4616 -0.0098 -0.0429 -0.1026 67  U   C N3    
3939 C C4    . U   C 68  ? 0.3593 1.2014 0.4478 -0.0165 -0.0388 -0.1065 67  U   C C4    
3940 O O4    . U   C 68  ? 0.3589 1.2274 0.4657 -0.0270 -0.0337 -0.1229 67  U   C O4    
3941 C C5    . U   C 68  ? 0.3536 1.1747 0.4274 -0.0113 -0.0415 -0.0911 67  U   C C5    
3942 C C6    . U   C 68  ? 0.3385 1.1344 0.4009 -0.0028 -0.0473 -0.0750 67  U   C C6    
3943 P P     . A   C 69  ? 0.3092 1.0428 0.3379 0.0174  -0.0393 0.0028  68  A   C P     
3944 O OP1   . A   C 69  ? 0.3246 1.0403 0.3493 0.0231  -0.0408 0.0206  68  A   C OP1   
3945 O OP2   . A   C 69  ? 0.2796 1.0224 0.3092 0.0097  -0.0329 -0.0023 68  A   C OP2   
3946 O "O5'" . A   C 69  ? 0.3668 1.1081 0.3989 0.0196  -0.0383 -0.0061 68  A   C "O5'" 
3947 C "C5'" . A   C 69  ? 0.3856 1.1225 0.4187 0.0281  -0.0455 -0.0076 68  A   C "C5'" 
3948 C "C4'" . A   C 69  ? 0.4093 1.1605 0.4445 0.0299  -0.0416 -0.0159 68  A   C "C4'" 
3949 O "O4'" . A   C 69  ? 0.3678 1.1380 0.4118 0.0247  -0.0433 -0.0359 68  A   C "O4'" 
3950 C "C3'" . A   C 69  ? 0.4321 1.1882 0.4642 0.0257  -0.0311 -0.0070 68  A   C "C3'" 
3951 O "O3'" . A   C 69  ? 0.4013 1.1444 0.4266 0.0337  -0.0288 0.0094  68  A   C "O3'" 
3952 C "C2'" . A   C 69  ? 0.3967 1.1893 0.4331 0.0226  -0.0276 -0.0219 68  A   C "C2'" 
3953 O "O2'" . A   C 69  ? 0.3999 1.1875 0.4351 0.0328  -0.0308 -0.0232 68  A   C "O2'" 
3954 C "C1'" . A   C 69  ? 0.4035 1.1921 0.4510 0.0186  -0.0353 -0.0405 68  A   C "C1'" 
3955 N N9    . A   C 69  ? 0.4585 1.2720 0.5116 0.0066  -0.0303 -0.0493 68  A   C N9    
3956 C C8    . A   C 69  ? 0.4227 1.2246 0.4753 0.0029  -0.0315 -0.0470 68  A   C C8    
3957 N N7    . A   C 69  ? 0.4230 1.2521 0.4860 -0.0079 -0.0279 -0.0607 68  A   C N7    
3958 C C5    . A   C 69  ? 0.4386 1.2964 0.5130 -0.0136 -0.0242 -0.0715 68  A   C C5    
3959 C C6    . A   C 69  ? 0.4504 1.3394 0.5497 -0.0279 -0.0190 -0.0881 68  A   C C6    
3960 N N6    . A   C 69  ? 0.4514 1.3468 0.5688 -0.0377 -0.0172 -0.0993 68  A   C N6    
3961 N N1    . A   C 69  ? 0.4524 1.3658 0.5640 -0.0327 -0.0142 -0.0940 68  A   C N1    
3962 C C2    . A   C 69  ? 0.4467 1.3574 0.5399 -0.0213 -0.0164 -0.0856 68  A   C C2    
3963 N N3    . A   C 69  ? 0.4735 1.3540 0.5440 -0.0062 -0.0215 -0.0716 68  A   C N3    
3964 C C4    . A   C 69  ? 0.4680 1.3205 0.5329 -0.0042 -0.0250 -0.0642 68  A   C C4    
3965 P P     . C   C 70  ? 0.3561 1.1095 0.3756 0.0316  -0.0187 0.0264  69  C   C P     
3966 O OP1   . C   C 70  ? 0.3818 1.1028 0.3990 0.0420  -0.0215 0.0393  69  C   C OP1   
3967 O OP2   . C   C 70  ? 0.3632 1.1206 0.3836 0.0230  -0.0169 0.0268  69  C   C OP2   
3968 O "O5'" . C   C 70  ? 0.3566 1.1625 0.3725 0.0272  -0.0103 0.0247  69  C   C "O5'" 
3969 C "C5'" . C   C 70  ? 0.3903 1.2117 0.4010 0.0359  -0.0068 0.0297  69  C   C "C5'" 
3970 C "C4'" . C   C 70  ? 0.3901 1.2633 0.3986 0.0282  -0.0032 0.0225  69  C   C "C4'" 
3971 O "O4'" . C   C 70  ? 0.3794 1.2572 0.4004 0.0186  -0.0080 -0.0009 69  C   C "O4'" 
3972 C "C3'" . C   C 70  ? 0.4036 1.3081 0.4158 0.0170  -0.0010 0.0376  69  C   C "C3'" 
3973 O "O3'" . C   C 70  ? 0.3400 1.2570 0.3427 0.0261  0.0018  0.0611  69  C   C "O3'" 
3974 C "C2'" . C   C 70  ? 0.4112 1.3466 0.4485 0.0020  0.0001  0.0187  69  C   C "C2'" 
3975 O "O2'" . C   C 70  ? 0.4225 1.3878 0.4556 0.0067  0.0021  0.0192  69  C   C "O2'" 
3976 C "C1'" . C   C 70  ? 0.3896 1.3048 0.4262 0.0028  -0.0055 -0.0061 69  C   C "C1'" 
3977 N N1    . C   C 70  ? 0.4413 1.3453 0.4947 -0.0087 -0.0064 -0.0142 69  C   C N1    
3978 C C2    . C   C 70  ? 0.4903 1.4161 0.5785 -0.0267 0.0010  -0.0267 69  C   C C2    
3979 O O2    . C   C 70  ? 0.4822 1.4339 0.5899 -0.0350 0.0113  -0.0286 69  C   C O2    
3980 N N3    . C   C 70  ? 0.5166 1.4321 0.6207 -0.0350 0.0011  -0.0369 69  C   C N3    
3981 C C4    . C   C 70  ? 0.4844 1.3741 0.5680 -0.0263 -0.0071 -0.0334 69  C   C C4    
3982 N N4    . C   C 70  ? 0.4940 1.3799 0.5917 -0.0333 -0.0074 -0.0448 69  C   C N4    
3983 C C5    . C   C 70  ? 0.4500 1.3144 0.5030 -0.0104 -0.0118 -0.0185 69  C   C C5    
3984 C C6    . C   C 70  ? 0.4369 1.3070 0.4788 -0.0023 -0.0104 -0.0103 69  C   C C6    
3985 P P     . C   C 71  ? 0.3742 1.3011 0.3957 0.0202  0.0048  0.0860  70  C   C P     
3986 O OP1   . C   C 71  ? 0.3900 1.3225 0.4003 0.0372  0.0040  0.1098  70  C   C OP1   
3987 O OP2   . C   C 71  ? 0.4072 1.3067 0.4330 0.0160  0.0035  0.0848  70  C   C OP2   
3988 O "O5'" . C   C 71  ? 0.4226 1.3644 0.4850 -0.0029 0.0254  0.0764  70  C   C "O5'" 
3989 C "C5'" . C   C 71  ? 0.4450 1.4103 0.5136 -0.0075 0.0371  0.0735  70  C   C "C5'" 
3990 C "C4'" . C   C 71  ? 0.5000 1.4639 0.6030 -0.0331 0.0657  0.0676  70  C   C "C4'" 
3991 O "O4'" . C   C 71  ? 0.5053 1.4735 0.6288 -0.0438 0.0589  0.0372  70  C   C "O4'" 
3992 C "C3'" . C   C 71  ? 0.5279 1.4658 0.6468 -0.0459 0.0874  0.0857  70  C   C "C3'" 
3993 O "O3'" . C   C 71  ? 0.5586 1.4845 0.6612 -0.0429 0.1049  0.1170  70  C   C "O3'" 
3994 C "C2'" . C   C 71  ? 0.5610 1.5033 0.7196 -0.0712 0.1062  0.0667  70  C   C "C2'" 
3995 O "O2'" . C   C 71  ? 0.5816 1.5365 0.7493 -0.0838 0.1296  0.0719  70  C   C "O2'" 
3996 C "C1'" . C   C 71  ? 0.5597 1.5169 0.7186 -0.0653 0.0810  0.0346  70  C   C "C1'" 
3997 N N1    . C   C 71  ? 0.6023 1.5438 0.7665 -0.0644 0.0670  0.0224  70  C   C N1    
3998 C C2    . C   C 71  ? 0.6354 1.5700 0.8369 -0.0825 0.0820  0.0129  70  C   C C2    
3999 O O2    . C   C 71  ? 0.6756 1.6141 0.9071 -0.1013 0.1078  0.0163  70  C   C O2    
4000 N N3    . C   C 71  ? 0.6481 1.5722 0.8522 -0.0795 0.0685  0.0002  70  C   C N3    
4001 C C4    . C   C 71  ? 0.6459 1.5619 0.8147 -0.0613 0.0439  -0.0001 70  C   C C4    
4002 N N4    . C   C 71  ? 0.6607 1.5661 0.8287 -0.0590 0.0334  -0.0114 70  C   C N4    
4003 C C5    . C   C 71  ? 0.5811 1.4991 0.7130 -0.0448 0.0302  0.0113  70  C   C C5    
4004 C C6    . C   C 71  ? 0.5683 1.5018 0.7007 -0.0459 0.0405  0.0206  70  C   C C6    
4005 P P     . U   C 72  ? 0.5972 1.4934 0.6862 -0.0339 0.1058  0.1433  71  U   C P     
4006 O OP1   . U   C 72  ? 0.5669 1.4520 0.6222 -0.0188 0.1103  0.1727  71  U   C OP1   
4007 O OP2   . U   C 72  ? 0.5858 1.4831 0.6751 -0.0224 0.0786  0.1278  71  U   C OP2   
4008 O "O5'" . U   C 72  ? 0.6214 1.5004 0.7424 -0.0604 0.1351  0.1499  71  U   C "O5'" 
4009 C "C5'" . U   C 72  ? 0.6420 1.5269 0.7845 -0.0837 0.1611  0.1494  71  U   C "C5'" 
4010 C "C4'" . U   C 72  ? 0.7073 1.5896 0.8975 -0.1085 0.1751  0.1362  71  U   C "C4'" 
4011 O "O4'" . U   C 72  ? 0.7058 1.6069 0.9163 -0.1075 0.1554  0.0980  71  U   C "O4'" 
4012 C "C3'" . U   C 72  ? 0.7454 1.6072 0.9465 -0.1103 0.1776  0.1500  71  U   C "C3'" 
4013 O "O3'" . U   C 72  ? 0.7943 1.6316 0.9899 -0.1207 0.2016  0.1881  71  U   C "O3'" 
4014 C "C2'" . U   C 72  ? 0.7450 1.6191 0.9968 -0.1282 0.1776  0.1181  71  U   C "C2'" 
4015 O "O2'" . U   C 72  ? 0.7530 1.6271 1.0439 -0.1577 0.2047  0.1221  71  U   C "O2'" 
4016 C "C1'" . U   C 72  ? 0.7041 1.5989 0.9480 -0.1179 0.1559  0.0858  71  U   C "C1'" 
4017 N N1    . U   C 72  ? 0.7021 1.5970 0.9287 -0.0978 0.1261  0.0702  71  U   C N1    
4018 C C2    . U   C 72  ? 0.7472 1.6415 1.0015 -0.1033 0.1205  0.0503  71  U   C C2    
4019 O O2    . U   C 72  ? 0.7659 1.6623 1.0628 -0.1236 0.1372  0.0425  71  U   C O2    
4020 N N3    . U   C 72  ? 0.7416 1.6336 0.9731 -0.0849 0.0941  0.0392  71  U   C N3    
4021 C C4    . U   C 72  ? 0.7243 1.6137 0.9128 -0.0639 0.0727  0.0470  71  U   C C4    
4022 O O4    . U   C 72  ? 0.7244 1.6086 0.8954 -0.0517 0.0519  0.0384  71  U   C O4    
4023 C C5    . U   C 72  ? 0.6997 1.5933 0.8678 -0.0590 0.0777  0.0652  71  U   C C5    
4024 C C6    . U   C 72  ? 0.6901 1.5865 0.8752 -0.0746 0.1036  0.0753  71  U   C C6    
4025 P P     . U   C 73  ? 0.8857 1.6704 1.0541 -0.1024 0.1902  0.2117  72  U   C P     
4026 O OP1   . U   C 73  ? 0.9204 1.6663 1.0660 -0.1082 0.2094  0.2517  72  U   C OP1   
4027 O OP2   . U   C 73  ? 0.8886 1.6906 1.0275 -0.0734 0.1637  0.2032  72  U   C OP2   
4028 O "O5'" . U   C 73  ? 0.9044 1.6612 1.1158 -0.1137 0.1850  0.1909  72  U   C "O5'" 
4029 C "C5'" . U   C 73  ? 0.9039 1.6483 1.1606 -0.1427 0.2033  0.1859  72  U   C "C5'" 
4030 C "C4'" . U   C 73  ? 0.9106 1.6523 1.2102 -0.1477 0.1912  0.1508  72  U   C "C4'" 
4031 O "O4'" . U   C 73  ? 0.8830 1.6799 1.1886 -0.1409 0.1771  0.1168  72  U   C "O4'" 
4032 C "C3'" . U   C 73  ? 0.9583 1.6598 1.2499 -0.1294 0.1729  0.1497  72  U   C "C3'" 
4033 O "O3'" . U   C 73  ? 1.0152 1.6566 1.3174 -0.1370 0.1801  0.1709  72  U   C "O3'" 
4034 C "C2'" . U   C 73  ? 0.9179 1.6484 1.2442 -0.1306 0.1595  0.1062  72  U   C "C2'" 
4035 O "O2'" . U   C 73  ? 0.9607 1.6769 1.3393 -0.1540 0.1693  0.0905  72  U   C "O2'" 
4036 C "C1'" . U   C 73  ? 0.8756 1.6672 1.1952 -0.1313 0.1583  0.0913  72  U   C "C1'" 
4037 N N1    . U   C 73  ? 0.8250 1.6412 1.1088 -0.1060 0.1370  0.0868  72  U   C N1    
4038 C C2    . U   C 73  ? 0.8275 1.6529 1.1207 -0.0964 0.1192  0.0610  72  U   C C2    
4039 O O2    . U   C 73  ? 0.8239 1.6402 1.1520 -0.1054 0.1192  0.0389  72  U   C O2    
4040 N N3    . U   C 73  ? 0.8033 1.6509 1.0646 -0.0755 0.1004  0.0613  72  U   C N3    
4041 C C4    . U   C 73  ? 0.7975 1.6571 1.0222 -0.0620 0.0948  0.0817  72  U   C C4    
4042 O O4    . U   C 73  ? 0.8045 1.6685 1.0025 -0.0441 0.0735  0.0787  72  U   C O4    
4043 C C5    . U   C 73  ? 0.8128 1.6638 1.0291 -0.0703 0.1127  0.1038  72  U   C C5    
4044 C C6    . U   C 73  ? 0.8232 1.6546 1.0669 -0.0919 0.1337  0.1068  72  U   C C6    
4045 P P     . U   C 74  ? 1.0514 1.6436 1.3260 -0.1127 0.1642  0.1872  73  U   C P     
4046 O OP1   . U   C 74  ? 1.1201 1.6500 1.4112 -0.1252 0.1728  0.2100  73  U   C OP1   
4047 O OP2   . U   C 74  ? 1.0292 1.6368 1.2500 -0.0892 0.1563  0.2056  73  U   C OP2   
4048 O "O5'" . U   C 74  ? 1.0690 1.6750 1.3683 -0.1019 0.1442  0.1473  73  U   C "O5'" 
4049 C "C5'" . U   C 74  ? 1.0631 1.6662 1.4156 -0.1178 0.1446  0.1170  73  U   C "C5'" 
4050 C "C4'" . U   C 74  ? 1.0169 1.6356 1.3806 -0.1014 0.1247  0.0824  73  U   C "C4'" 
4051 O "O4'" . U   C 74  ? 0.9442 1.6233 1.2937 -0.0943 0.1172  0.0620  73  U   C "O4'" 
4052 C "C3'" . U   C 74  ? 1.0133 1.6028 1.3505 -0.0763 0.1103  0.0933  73  U   C "C3'" 
4053 O "O3'" . U   C 74  ? 1.1257 1.6571 1.4859 -0.0783 0.1089  0.0997  73  U   C "O3'" 
4054 C "C2'" . U   C 74  ? 0.9479 1.5829 1.2875 -0.0623 0.0946  0.0586  73  U   C "C2'" 
4055 O "O2'" . U   C 74  ? 0.9527 1.5831 1.3362 -0.0663 0.0891  0.0246  73  U   C "O2'" 
4056 C "C1'" . U   C 74  ? 0.9052 1.5953 1.2416 -0.0727 0.0994  0.0475  73  U   C "C1'" 
4057 N N1    . U   C 74  ? 0.8660 1.5876 1.1588 -0.0570 0.0914  0.0605  73  U   C N1    
4058 C C2    . U   C 74  ? 0.8046 1.5602 1.0900 -0.0428 0.0757  0.0404  73  U   C C2    
4059 O O2    . U   C 74  ? 0.7772 1.5405 1.0866 -0.0415 0.0697  0.0125  73  U   C O2    
4060 N N3    . U   C 74  ? 0.7670 1.5489 1.0167 -0.0298 0.0666  0.0538  73  U   C N3    
4061 C C4    . U   C 74  ? 0.7854 1.5648 1.0067 -0.0273 0.0701  0.0813  73  U   C C4    
4062 O O4    . U   C 74  ? 0.7478 1.5518 0.9426 -0.0140 0.0577  0.0884  73  U   C O4    
4063 C C5    . U   C 74  ? 0.8272 1.5757 1.0547 -0.0411 0.0880  0.0991  73  U   C C5    
4064 C C6    . U   C 74  ? 0.8651 1.5857 1.1271 -0.0563 0.0984  0.0903  73  U   C C6    
4065 P P     . G   C 75  ? 1.0707 1.5594 1.4078 -0.0535 0.0947  0.1152  74  G   C P     
4066 O OP1   . G   C 75  ? 1.1659 1.5892 1.5290 -0.0618 0.0958  0.1278  74  G   C OP1   
4067 O OP2   . G   C 75  ? 1.0883 1.5856 1.3715 -0.0387 0.0945  0.1455  74  G   C OP2   
4068 O "O5'" . G   C 75  ? 1.0327 1.5535 1.3869 -0.0376 0.0779  0.0737  74  G   C "O5'" 
4069 C "C5'" . G   C 75  ? 1.0163 1.5388 1.3459 -0.0119 0.0636  0.0749  74  G   C "C5'" 
4070 C "C4'" . G   C 75  ? 0.9471 1.5281 1.2818 -0.0027 0.0545  0.0399  74  G   C "C4'" 
4071 O "O4'" . G   C 75  ? 0.9128 1.5439 1.2347 -0.0132 0.0609  0.0371  74  G   C "O4'" 
4072 C "C3'" . G   C 75  ? 0.9488 1.5425 1.2564 0.0218  0.0418  0.0440  74  G   C "C3'" 
4073 O "O3'" . G   C 75  ? 1.0068 1.5756 1.3360 0.0355  0.0313  0.0279  74  G   C "O3'" 
4074 C "C2'" . G   C 75  ? 0.8976 1.5589 1.1967 0.0223  0.0390  0.0243  74  G   C "C2'" 
4075 O "O2'" . G   C 75  ? 0.8976 1.5870 1.2267 0.0237  0.0339  -0.0153 74  G   C "O2'" 
4076 C "C1'" . G   C 75  ? 0.8580 1.5345 1.1569 0.0016  0.0508  0.0295  74  G   C "C1'" 
4077 N N9    . G   C 75  ? 0.8224 1.5103 1.0828 0.0040  0.0525  0.0589  74  G   C N9    
4078 C C8    . G   C 75  ? 0.8352 1.4964 1.0815 -0.0043 0.0633  0.0877  74  G   C C8    
4079 N N7    . G   C 75  ? 0.7961 1.4789 1.0098 0.0018  0.0611  0.1055  74  G   C N7    
4080 C C5    . G   C 75  ? 0.7623 1.4853 0.9697 0.0132  0.0474  0.0899  74  G   C C5    
4081 C C6    . G   C 75  ? 0.7099 1.4669 0.8899 0.0231  0.0368  0.0989  74  G   C C6    
4082 O O6    . G   C 75  ? 0.7023 1.4625 0.8581 0.0262  0.0363  0.1193  74  G   C O6    
4083 N N1    . G   C 75  ? 0.6743 1.4655 0.8581 0.0304  0.0250  0.0807  74  G   C N1    
4084 C C2    . G   C 75  ? 0.6682 1.4655 0.8766 0.0297  0.0246  0.0548  74  G   C C2    
4085 N N2    . G   C 75  ? 0.6218 1.4593 0.8268 0.0368  0.0143  0.0422  74  G   C N2    
4086 N N3    . G   C 75  ? 0.7145 1.4819 0.9498 0.0228  0.0328  0.0423  74  G   C N3    
4087 C C4    . G   C 75  ? 0.7678 1.4967 1.0020 0.0141  0.0434  0.0620  74  G   C C4    
4088 P P     . U   C 76  ? 1.1249 1.6483 1.4334 0.0561  0.0219  0.0533  75  U   C P     
4089 O OP1   . U   C 76  ? 1.1875 1.6696 1.5313 0.0627  0.0130  0.0356  75  U   C OP1   
4090 O OP2   . U   C 76  ? 1.1053 1.6006 1.3793 0.0510  0.0298  0.0954  75  U   C OP2   
4091 O "O5'" . U   C 76  ? 0.9536 1.5261 1.2434 0.0749  0.0122  0.0445  75  U   C "O5'" 
4092 C "C5'" . U   C 76  ? 0.8584 1.4805 1.1694 0.0783  0.0081  0.0071  75  U   C "C5'" 
4093 C "C4'" . U   C 76  ? 0.7647 1.4432 1.0502 0.0843  0.0054  0.0099  75  U   C "C4'" 
4094 O "O4'" . U   C 76  ? 0.7348 1.4401 1.0043 0.0683  0.0130  0.0190  75  U   C "O4'" 
4095 C "C3'" . U   C 76  ? 0.7088 1.3763 0.9650 0.1007  -0.0023 0.0386  75  U   C "C3'" 
4096 O "O3'" . U   C 76  ? 0.6878 1.3470 0.9561 0.1197  -0.0123 0.0283  75  U   C "O3'" 
4097 C "C2'" . U   C 76  ? 0.6846 1.4076 0.9195 0.0968  -0.0028 0.0435  75  U   C "C2'" 
4098 O "O2'" . U   C 76  ? 0.6743 1.4487 0.9210 0.1013  -0.0066 0.0183  75  U   C "O2'" 
4099 C "C1'" . U   C 76  ? 0.6880 1.4210 0.9265 0.0757  0.0076  0.0383  75  U   C "C1'" 
4100 N N1    . U   C 76  ? 0.6970 1.4081 0.9107 0.0701  0.0119  0.0693  75  U   C N1    
4101 C C2    . U   C 76  ? 0.6580 1.4014 0.8461 0.0725  0.0064  0.0835  75  U   C C2    
4102 O O2    . U   C 76  ? 0.6288 1.4145 0.8149 0.0771  -0.0014 0.0741  75  U   C O2    
4103 N N3    . U   C 76  ? 0.6486 1.3739 0.8150 0.0693  0.0101  0.1088  75  U   C N3    
4104 C C4    . U   C 76  ? 0.6949 1.3763 0.8601 0.0624  0.0209  0.1235  75  U   C C4    
4105 O O4    . U   C 76  ? 0.6900 1.3651 0.8329 0.0604  0.0248  0.1452  75  U   C O4    
4106 C C5    . U   C 76  ? 0.7720 1.4190 0.9644 0.0581  0.0261  0.1112  75  U   C C5    
4107 C C6    . U   C 76  ? 0.7718 1.4337 0.9882 0.0629  0.0203  0.0837  75  U   C C6    
4108 P P     . G   C 77  ? 0.7885 1.4117 1.0353 0.1390  -0.0225 0.0571  76  G   C P     
4109 O OP1   . G   C 77  ? 0.7602 1.3683 1.0308 0.1570  -0.0327 0.0385  76  G   C OP1   
4110 O OP2   . G   C 77  ? 0.7654 1.3395 0.9903 0.1326  -0.0179 0.0886  76  G   C OP2   
4111 O "O5'" . G   C 77  ? 0.7022 1.3760 0.9268 0.1434  -0.0268 0.0678  76  G   C "O5'" 
4112 C "C5'" . G   C 77  ? 0.6395 1.3722 0.8767 0.1449  -0.0284 0.0455  76  G   C "C5'" 
4113 C "C4'" . G   C 77  ? 0.6076 1.3783 0.8223 0.1446  -0.0330 0.0638  76  G   C "C4'" 
4114 O "O4'" . G   C 77  ? 0.6111 1.3955 0.8104 0.1275  -0.0268 0.0718  76  G   C "O4'" 
4115 C "C3'" . G   C 77  ? 0.5894 1.3304 0.7841 0.1592  -0.0437 0.0931  76  G   C "C3'" 
4116 O "O3'" . G   C 77  ? 0.6038 1.3380 0.8062 0.1741  -0.0518 0.0872  76  G   C "O3'" 
4117 C "C2'" . G   C 77  ? 0.6159 1.3487 0.7717 0.1432  -0.0408 0.1055  76  G   C "C2'" 
4118 O "O2'" . G   C 77  ? 0.6629 1.3968 0.8038 0.1349  -0.0391 0.0951  76  G   C "O2'" 
4119 C "C1'" . G   C 77  ? 0.6036 1.3669 0.7679 0.1276  -0.0319 0.0974  76  G   C "C1'" 
4120 N N9    . G   C 77  ? 0.5750 1.3175 0.7331 0.1268  -0.0293 0.1173  76  G   C N9    
4121 C C8    . G   C 77  ? 0.6154 1.3130 0.7801 0.1225  -0.0204 0.1167  76  G   C C8    
4122 N N7    . G   C 77  ? 0.6032 1.2767 0.7474 0.1179  -0.0160 0.1383  76  G   C N7    
4123 C C5    . G   C 77  ? 0.5734 1.2778 0.6978 0.1217  -0.0243 0.1505  76  G   C C5    
4124 C C6    . G   C 77  ? 0.5894 1.2921 0.6884 0.1215  -0.0255 0.1712  76  G   C C6    
4125 O O6    . G   C 77  ? 0.6214 1.2964 0.7071 0.1170  -0.0164 0.1852  76  G   C O6    
4126 N N1    . G   C 77  ? 0.5658 1.2595 0.6421 0.1175  -0.0279 0.1648  76  G   C N1    
4127 C C2    . G   C 77  ? 0.5742 1.2633 0.6498 0.1133  -0.0289 0.1480  76  G   C C2    
4128 N N2    . G   C 77  ? 0.5873 1.2519 0.6446 0.1059  -0.0268 0.1442  76  G   C N2    
4129 N N3    . G   C 77  ? 0.5821 1.2918 0.6793 0.1164  -0.0310 0.1351  76  G   C N3    
4130 C C4    . G   C 77  ? 0.5662 1.2991 0.6950 0.1244  -0.0316 0.1373  76  G   C C4    
4131 P P     . C   C 78  ? 0.6886 1.3739 0.8904 0.1966  -0.0634 0.1034  77  C   C P     
4132 O OP1   . C   C 78  ? 0.6607 1.3557 0.8862 0.2118  -0.0711 0.0851  77  C   C OP1   
4133 O OP2   . C   C 78  ? 0.6740 1.3087 0.8720 0.1893  -0.0558 0.1067  77  C   C OP2   
4134 O "O5'" . C   C 78  ? 0.6303 1.2801 0.7900 0.1926  -0.0668 0.1285  77  C   C "O5'" 
4135 C "C5'" . C   C 78  ? 0.6378 1.2749 0.7817 0.1836  -0.0667 0.1227  77  C   C "C5'" 
4136 C "C4'" . C   C 78  ? 0.6410 1.2536 0.7524 0.1691  -0.0623 0.1347  77  C   C "C4'" 
4137 O "O4'" . C   C 78  ? 0.6617 1.2977 0.7655 0.1552  -0.0529 0.1368  77  C   C "O4'" 
4138 C "C3'" . C   C 78  ? 0.6032 1.1688 0.6946 0.1775  -0.0682 0.1507  77  C   C "C3'" 
4139 O "O3'" . C   C 78  ? 0.6228 1.1554 0.7147 0.1864  -0.0784 0.1480  77  C   C "O3'" 
4140 C "C2'" . C   C 78  ? 0.6153 1.1769 0.6865 0.1604  -0.0599 0.1535  77  C   C "C2'" 
4141 O "O2'" . C   C 78  ? 0.6533 1.2076 0.7232 0.1495  -0.0597 0.1442  77  C   C "O2'" 
4142 C "C1'" . C   C 78  ? 0.6266 1.2336 0.7063 0.1506  -0.0510 0.1499  77  C   C "C1'" 
4143 N N1    . C   C 78  ? 0.5971 1.2102 0.6765 0.1568  -0.0500 0.1645  77  C   C N1    
4144 C C2    . C   C 78  ? 0.5982 1.1965 0.6562 0.1510  -0.0452 0.1755  77  C   C C2    
4145 O O2    . C   C 78  ? 0.5981 1.1781 0.6439 0.1420  -0.0432 0.1685  77  C   C O2    
4146 N N3    . C   C 78  ? 0.5790 1.1851 0.6342 0.1558  -0.0431 0.1936  77  C   C N3    
4147 C C4    . C   C 78  ? 0.5885 1.2118 0.6656 0.1667  -0.0471 0.2025  77  C   C C4    
4148 N N4    . C   C 78  ? 0.6033 1.1940 0.6705 0.1572  -0.0340 0.2127  77  C   C N4    
4149 C C5    . C   C 78  ? 0.5969 1.2230 0.7011 0.1710  -0.0500 0.1829  77  C   C C5    
4150 C C6    . C   C 78  ? 0.5962 1.2296 0.7008 0.1692  -0.0537 0.1670  77  C   C C6    
4151 P P     . G   C 79  ? 0.6234 1.1152 0.7094 0.2070  -0.0901 0.1591  78  G   C P     
4152 O OP1   . G   C 79  ? 0.6474 1.1212 0.7476 0.2166  -0.1022 0.1489  78  G   C OP1   
4153 O OP2   . G   C 79  ? 0.6020 1.1074 0.6955 0.2187  -0.0888 0.1703  78  G   C OP2   
4154 O "O5'" . G   C 79  ? 0.6360 1.0938 0.6919 0.2005  -0.0888 0.1687  78  G   C "O5'" 
4155 C "C5'" . G   C 79  ? 0.6249 1.0796 0.6745 0.1843  -0.0853 0.1603  78  G   C "C5'" 
4156 C "C4'" . G   C 79  ? 0.6787 1.1186 0.7065 0.1800  -0.0809 0.1677  78  G   C "C4'" 
4157 O "O4'" . G   C 79  ? 0.6896 1.1643 0.7160 0.1729  -0.0681 0.1747  78  G   C "O4'" 
4158 C "C3'" . G   C 79  ? 0.7288 1.1360 0.7382 0.1946  -0.0873 0.1802  78  G   C "C3'" 
4159 O "O3'" . G   C 79  ? 0.7397 1.1091 0.7449 0.1996  -0.1011 0.1735  78  G   C "O3'" 
4160 C "C2'" . G   C 79  ? 0.7269 1.1453 0.7198 0.1883  -0.0761 0.1892  78  G   C "C2'" 
4161 O "O2'" . G   C 79  ? 0.7618 1.1724 0.7512 0.1780  -0.0766 0.1772  78  G   C "O2'" 
4162 C "C1'" . G   C 79  ? 0.6628 1.1267 0.6707 0.1785  -0.0651 0.1895  78  G   C "C1'" 
4163 N N9    . G   C 79  ? 0.6643 1.1412 0.6751 0.1885  -0.0632 0.2068  78  G   C N9    
4164 C C8    . G   C 79  ? 0.6721 1.1644 0.7045 0.1965  -0.0677 0.2057  78  G   C C8    
4165 N N7    . G   C 79  ? 0.6729 1.1699 0.7082 0.2062  -0.0672 0.2252  78  G   C N7    
4166 C C5    . G   C 79  ? 0.7052 1.1881 0.7129 0.2022  -0.0597 0.2433  78  G   C C5    
4167 C C6    . G   C 79  ? 0.7665 1.2417 0.7601 0.2058  -0.0536 0.2742  78  G   C C6    
4168 O O6    . G   C 79  ? 0.7967 1.2423 0.8053 0.1984  -0.0458 0.2725  78  G   C O6    
4169 N N1    . G   C 79  ? 0.7913 1.2571 0.7560 0.1977  -0.0440 0.2825  78  G   C N1    
4170 C C2    . G   C 79  ? 0.7412 1.2070 0.6997 0.1912  -0.0440 0.2610  78  G   C C2    
4171 N N2    . G   C 79  ? 0.7270 1.1903 0.6644 0.1875  -0.0359 0.2689  78  G   C N2    
4172 N N3    . G   C 79  ? 0.7039 1.1703 0.6774 0.1882  -0.0512 0.2350  78  G   C N3    
4173 C C4    . G   C 79  ? 0.7006 1.1749 0.6952 0.1925  -0.0574 0.2290  78  G   C C4    
4174 P P     . C   C 80  ? 0.7428 1.0788 0.7426 0.2183  -0.1146 0.1811  79  C   C P     
4175 O OP1   . C   C 80  ? 0.7242 1.0302 0.7263 0.2180  -0.1294 0.1705  79  C   C OP1   
4176 O OP2   . C   C 80  ? 0.6970 1.0473 0.7147 0.2288  -0.1157 0.1841  79  C   C OP2   
4177 O "O5'" . C   C 80  ? 0.8180 1.1398 0.7878 0.2248  -0.1093 0.1999  79  C   C "O5'" 
4178 C "C5'" . C   C 80  ? 0.8107 1.1284 0.7631 0.2180  -0.1056 0.1985  79  C   C "C5'" 
4179 C "C4'" . C   C 80  ? 0.8181 1.1371 0.7448 0.2226  -0.0953 0.2191  79  C   C "C4'" 
4180 O "O4'" . C   C 80  ? 0.7996 1.1530 0.7338 0.2171  -0.0808 0.2304  79  C   C "O4'" 
4181 C "C3'" . C   C 80  ? 0.8894 1.1724 0.7940 0.2382  -0.1022 0.2378  79  C   C "C3'" 
4182 O "O3'" . C   C 80  ? 0.9670 1.2208 0.8560 0.2435  -0.1142 0.2328  79  C   C "O3'" 
4183 C "C2'" . C   C 80  ? 0.9144 1.2110 0.8004 0.2364  -0.0855 0.2622  79  C   C "C2'" 
4184 O "O2'" . C   C 80  ? 0.9011 1.2064 0.7686 0.2318  -0.0785 0.2620  79  C   C "O2'" 
4185 C "C1'" . C   C 80  ? 0.8325 1.1740 0.7453 0.2248  -0.0748 0.2572  79  C   C "C1'" 
4186 N N1    . C   C 80  ? 0.8552 1.1980 0.7824 0.2314  -0.0757 0.2700  79  C   C N1    
4187 C C2    . C   C 80  ? 0.9365 1.2664 0.8488 0.2352  -0.0678 0.3017  79  C   C C2    
4188 O O2    . C   C 80  ? 0.9665 1.2861 0.8504 0.2311  -0.0582 0.3181  79  C   C O2    
4189 N N3    . C   C 80  ? 0.9697 1.2976 0.9019 0.2430  -0.0705 0.3143  79  C   C N3    
4190 C C4    . C   C 80  ? 0.9416 1.2888 0.9079 0.2489  -0.0808 0.2924  79  C   C C4    
4191 N N4    . C   C 80  ? 0.9475 1.2863 0.9421 0.2515  -0.0813 0.2911  79  C   C N4    
4192 C C5    . C   C 80  ? 0.8416 1.2049 0.8189 0.2425  -0.0864 0.2604  79  C   C C5    
4193 C C6    . C   C 80  ? 0.8252 1.1815 0.7823 0.2333  -0.0837 0.2524  79  C   C C6    
4194 P P     . C   C 81  ? 1.0354 1.2445 0.9076 0.2592  -0.1294 0.2446  80  C   C P     
4195 O OP1   . C   C 81  ? 0.9520 1.1469 0.8140 0.2602  -0.1400 0.2353  80  C   C OP1   
4196 O OP2   . C   C 81  ? 0.9812 1.1807 0.8780 0.2658  -0.1400 0.2402  80  C   C OP2   
4197 O "O5'" . C   C 81  ? 1.0817 1.2800 0.9222 0.2645  -0.1174 0.2753  80  C   C "O5'" 
4198 C "C5'" . C   C 81  ? 1.0916 1.2987 0.9040 0.2611  -0.1052 0.2865  80  C   C "C5'" 
4199 C "C4'" . C   C 81  ? 1.1607 1.3446 0.9427 0.2651  -0.0961 0.3203  80  C   C "C4'" 
4200 O "O4'" . C   C 81  ? 1.1632 1.3661 0.9595 0.2573  -0.0812 0.3346  80  C   C "O4'" 
4201 C "C3'" . C   C 81  ? 1.2568 1.3889 1.0271 0.2783  -0.1126 0.3329  80  C   C "C3'" 
4202 O "O3'" . C   C 81  ? 1.2918 1.3996 1.0384 0.2860  -0.1255 0.3314  80  C   C "O3'" 
4203 C "C2'" . C   C 81  ? 1.3284 1.4417 1.0817 0.2758  -0.0984 0.3680  80  C   C "C2'" 
4204 O "O2'" . C   C 81  ? 1.3526 1.4591 1.0667 0.2707  -0.0854 0.3903  80  C   C "O2'" 
4205 C "C1'" . C   C 81  ? 1.2506 1.4122 1.0329 0.2634  -0.0817 0.3637  80  C   C "C1'" 
4206 N N1    . C   C 81  ? 1.2515 1.4128 1.0686 0.2688  -0.0888 0.3590  80  C   C N1    
4207 C C2    . C   C 81  ? 1.3710 1.5048 1.1906 0.2709  -0.0835 0.3890  80  C   C C2    
4208 O O2    . C   C 81  ? 1.4100 1.5154 1.2002 0.2643  -0.0715 0.4208  80  C   C O2    
4209 N N3    . C   C 81  ? 1.4058 1.5439 1.2637 0.2796  -0.0913 0.3831  80  C   C N3    
4210 C C4    . C   C 81  ? 1.2993 1.4711 1.1877 0.2840  -0.1020 0.3489  80  C   C C4    
4211 N N4    . C   C 81  ? 1.2704 1.4523 1.1984 0.2943  -0.1090 0.3418  80  C   C N4    
4212 C C5    . C   C 81  ? 1.1841 1.3790 1.0675 0.2771  -0.1054 0.3211  80  C   C C5    
4213 C C6    . C   C 81  ? 1.1760 1.3633 1.0261 0.2707  -0.0995 0.3271  80  C   C C6    
4214 P P     . U   C 82  ? 1.3659 2.0381 0.8134 0.6814  0.1122  0.4366  81  U   C P     
4215 O OP1   . U   C 82  ? 1.4309 1.9983 0.8354 0.7155  0.0861  0.4219  81  U   C OP1   
4216 O OP2   . U   C 82  ? 1.3106 2.0417 0.8331 0.6282  0.1113  0.4035  81  U   C OP2   
4217 O "O5'" . U   C 82  ? 1.3589 2.0306 0.8043 0.6895  0.1207  0.4366  81  U   C "O5'" 
4218 C "C5'" . U   C 82  ? 1.4290 2.0808 0.8718 0.6981  0.0970  0.4133  81  U   C "C5'" 
4219 C "C4'" . U   C 82  ? 1.4256 2.1436 0.8957 0.6807  0.1150  0.4194  81  U   C "C4'" 
4220 O "O4'" . U   C 82  ? 1.3358 2.1423 0.8455 0.6416  0.1436  0.4378  81  U   C "O4'" 
4221 C "C3'" . U   C 82  ? 1.4848 2.2194 1.0153 0.6497  0.1016  0.3775  81  U   C "C3'" 
4222 O "O3'" . U   C 82  ? 1.5275 2.1883 1.0403 0.6781  0.0740  0.3583  81  U   C "O3'" 
4223 C "C2'" . U   C 82  ? 1.4455 2.2702 1.0036 0.6207  0.1303  0.3922  81  U   C "C2'" 
4224 O "O2'" . U   C 82  ? 1.4510 2.2660 0.9712 0.6539  0.1368  0.4168  81  U   C "O2'" 
4225 C "C1'" . U   C 82  ? 1.3557 2.2327 0.9009 0.6082  0.1520  0.4278  81  U   C "C1'" 
4226 N N1    . U   C 82  ? 1.3526 2.2787 0.9491 0.5555  0.1584  0.4058  81  U   C N1    
4227 C C2    . U   C 82  ? 1.4381 2.4335 1.0777 0.5080  0.1752  0.3921  81  U   C C2    
4228 O O2    . U   C 82  ? 1.4712 2.4902 1.1121 0.5088  0.1827  0.3976  81  U   C O2    
4229 N N3    . U   C 82  ? 1.4082 2.4398 1.0863 0.4590  0.1847  0.3713  81  U   C N3    
4230 C C4    . U   C 82  ? 1.3022 2.3120 0.9856 0.4542  0.1789  0.3646  81  U   C C4    
4231 O O4    . U   C 82  ? 1.3031 2.3478 1.0213 0.4080  0.1918  0.3459  81  U   C O4    
4232 C C5    . U   C 82  ? 1.2500 2.1912 0.8927 0.5054  0.1595  0.3802  81  U   C C5    
4233 C C6    . U   C 82  ? 1.3007 2.2013 0.8995 0.5524  0.1506  0.3989  81  U   C C6    
4234 P P     . G   C 83  ? 1.5786 2.2007 1.1486 0.6593  0.0407  0.3106  82  G   C P     
4235 O OP1   . G   C 83  ? 1.6561 2.1832 1.1737 0.7009  0.0067  0.3068  82  G   C OP1   
4236 O OP2   . G   C 83  ? 1.4669 2.1018 1.0751 0.6311  0.0399  0.2962  82  G   C OP2   
4237 O "O5'" . G   C 83  ? 1.6263 2.3129 1.2695 0.6228  0.0547  0.2902  82  G   C "O5'" 
4238 C "C5'" . G   C 83  ? 1.6644 2.3748 1.2898 0.6351  0.0694  0.3071  82  G   C "C5'" 
4239 C "C4'" . G   C 83  ? 1.6645 2.4357 1.3666 0.5936  0.0852  0.2830  82  G   C "C4'" 
4240 O "O4'" . G   C 83  ? 1.6395 2.4953 1.3570 0.5555  0.1204  0.2949  82  G   C "O4'" 
4241 C "C3'" . G   C 83  ? 1.7082 2.4680 1.4907 0.5633  0.0706  0.2401  82  G   C "C3'" 
4242 O "O3'" . G   C 83  ? 1.7551 2.4518 1.5506 0.5866  0.0370  0.2246  82  G   C "O3'" 
4243 C "C2'" . G   C 83  ? 1.6675 2.5074 1.5121 0.5129  0.1064  0.2252  82  G   C "C2'" 
4244 O "O2'" . G   C 83  ? 1.6436 2.4934 1.5081 0.5161  0.1117  0.2210  82  G   C "O2'" 
4245 C "C1'" . G   C 83  ? 1.6490 2.5447 1.4431 0.5053  0.1333  0.2596  82  G   C "C1'" 
4246 N N9    . G   C 83  ? 1.6168 2.5386 1.4211 0.4747  0.1443  0.2564  82  G   C N9    
4247 C C8    . G   C 83  ? 1.5736 2.4733 1.3284 0.4972  0.1355  0.2809  82  G   C C8    
4248 N N7    . G   C 83  ? 1.5783 2.5088 1.3525 0.4635  0.1484  0.2757  82  G   C N7    
4249 C C5    . G   C 83  ? 1.6186 2.5916 1.4539 0.4147  0.1688  0.2449  82  G   C C5    
4250 C C6    . G   C 83  ? 1.6230 2.6356 1.4955 0.3628  0.1920  0.2262  82  G   C C6    
4251 O O6    . G   C 83  ? 1.6153 2.6369 1.4751 0.3509  0.1966  0.2356  82  G   C O6    
4252 N N1    . G   C 83  ? 1.6226 2.6621 1.5493 0.3230  0.2137  0.1944  82  G   C N1    
4253 C C2    . G   C 83  ? 1.6241 2.6569 1.5727 0.3327  0.2118  0.1832  82  G   C C2    
4254 N N2    . G   C 83  ? 1.6141 2.6733 1.6187 0.2890  0.2389  0.1513  82  G   C N2    
4255 N N3    . G   C 83  ? 1.6385 2.6375 1.5546 0.3818  0.1876  0.2023  82  G   C N3    
4256 C C4    . G   C 83  ? 1.6297 2.5984 1.4868 0.4206  0.1675  0.2322  82  G   C C4    
4257 P P     . U   C 84  ? 1.7988 2.4313 1.6310 0.5878  -0.0030 0.1986  83  U   C P     
4258 O OP1   . U   C 84  ? 1.8500 2.4138 1.6657 0.6203  -0.0417 0.1968  83  U   C OP1   
4259 O OP2   . U   C 84  ? 1.7716 2.3843 1.5610 0.5944  -0.0073 0.2090  83  U   C OP2   
4260 O "O5'" . U   C 84  ? 1.7995 2.4808 1.7464 0.5368  0.0149  0.1643  83  U   C "O5'" 
4261 C "C5'" . U   C 84  ? 1.7925 2.5141 1.7949 0.5167  0.0361  0.1520  83  U   C "C5'" 
4262 C "C4'" . U   C 84  ? 1.7664 2.5463 1.8513 0.4629  0.0731  0.1257  83  U   C "C4'" 
4263 O "O4'" . U   C 84  ? 1.7215 2.5590 1.7638 0.4405  0.1085  0.1402  83  U   C "O4'" 
4264 C "C3'" . U   C 84  ? 1.8230 2.5811 1.9773 0.4427  0.0623  0.1007  83  U   C "C3'" 
4265 O "O3'" . U   C 84  ? 1.8754 2.5970 2.1108 0.4453  0.0372  0.0807  83  U   C "O3'" 
4266 C "C2'" . U   C 84  ? 1.7719 2.5951 1.9616 0.3913  0.1124  0.0861  83  U   C "C2'" 
4267 O "O2'" . U   C 84  ? 1.7268 2.5799 1.9885 0.3612  0.1414  0.0633  83  U   C "O2'" 
4268 C "C1'" . U   C 84  ? 1.7213 2.5850 1.8181 0.3970  0.1309  0.1174  83  U   C "C1'" 
4269 N N1    . U   C 84  ? 1.7409 2.6029 1.7841 0.4022  0.1273  0.1359  83  U   C N1    
4270 C C2    . U   C 84  ? 1.7383 2.6345 1.8107 0.3597  0.1548  0.1228  83  U   C C2    
4271 O O2    . U   C 84  ? 1.7005 2.6235 1.8378 0.3180  0.1835  0.0949  83  U   C O2    
4272 N N3    . U   C 84  ? 1.7464 2.6407 1.7679 0.3681  0.1500  0.1442  83  U   C N3    
4273 C C4    . U   C 84  ? 1.7616 2.6221 1.7096 0.4136  0.1242  0.1756  83  U   C C4    
4274 O O4    . U   C 84  ? 1.7582 2.6209 1.6718 0.4157  0.1259  0.1931  83  U   C O4    
4275 C C5    . U   C 84  ? 1.7636 2.5856 1.6808 0.4549  0.1000  0.1855  83  U   C C5    
4276 C C6    . U   C 84  ? 1.7515 2.5769 1.7152 0.4477  0.1012  0.1664  83  U   C C6    
4277 P P     . U   C 85  ? 1.9228 2.5762 2.1858 0.4623  -0.0133 0.0744  84  U   C P     
4278 O OP1   . U   C 85  ? 1.9078 2.5199 2.2220 0.4786  -0.0501 0.0692  84  U   C OP1   
4279 O OP2   . U   C 85  ? 1.9322 2.5534 2.0910 0.4914  -0.0333 0.0972  84  U   C OP2   
4280 O "O5'" . U   C 85  ? 1.8739 2.5538 2.2336 0.4181  0.0133  0.0479  84  U   C "O5'" 
4281 C "C5'" . U   C 85  ? 1.8535 2.5785 2.3029 0.3787  0.0570  0.0247  84  U   C "C5'" 
4282 C "C4'" . U   C 85  ? 1.8422 2.6058 2.3199 0.3363  0.1017  0.0092  84  U   C "C4'" 
4283 O "O4'" . U   C 85  ? 1.8512 2.6476 2.2266 0.3350  0.1205  0.0290  84  U   C "O4'" 
4284 C "C3'" . U   C 85  ? 1.8613 2.5933 2.3924 0.3305  0.0843  -0.0008 84  U   C "C3'" 
4285 O "O3'" . U   C 85  ? 1.8357 2.5536 2.4955 0.3136  0.0852  -0.0237 84  U   C "O3'" 
4286 C "C2'" . U   C 85  ? 1.8498 2.6241 2.3485 0.2979  0.1290  -0.0029 84  U   C "C2'" 
4287 O "O2'" . U   C 85  ? 1.8394 2.6481 2.4154 0.2510  0.1821  -0.0296 84  U   C "O2'" 
4288 C "C1'" . U   C 85  ? 1.8530 2.6618 2.2394 0.3087  0.1402  0.0218  84  U   C "C1'" 
4289 N N1    . U   C 85  ? 1.8746 2.6716 2.1664 0.3344  0.1195  0.0498  84  U   C N1    
4290 C C2    . U   C 85  ? 1.8805 2.7020 2.1606 0.3087  0.1442  0.0508  84  U   C C2    
4291 O O2    . U   C 85  ? 1.8781 2.7257 2.2162 0.2663  0.1812  0.0287  84  U   C O2    
4292 N N3    . U   C 85  ? 1.9079 2.7189 2.1063 0.3336  0.1272  0.0790  84  U   C N3    
4293 C C4    . U   C 85  ? 1.9217 2.6969 2.0460 0.3812  0.0919  0.1048  84  U   C C4    
4294 O O4    . U   C 85  ? 1.9512 2.7179 2.0099 0.3995  0.0850  0.1290  84  U   C O4    
4295 C C5    . U   C 85  ? 1.9055 2.6541 2.0385 0.4047  0.0691  0.1009  84  U   C C5    
4296 C C6    . U   C 85  ? 1.8899 2.6521 2.1048 0.3813  0.0816  0.0754  84  U   C C6    
4297 P P     . U   C 86  ? 1.7890 2.4531 2.5242 0.3243  0.0388  -0.0278 85  U   C P     
4298 O OP1   . U   C 86  ? 1.7066 2.3609 2.5715 0.3150  0.0352  -0.0423 85  U   C OP1   
4299 O OP2   . U   C 86  ? 1.8133 2.4286 2.4552 0.3665  -0.0203 -0.0047 85  U   C OP2   
4300 O "O5'" . U   C 86  ? 1.7986 2.4825 2.5658 0.2903  0.0771  -0.0412 85  U   C "O5'" 
4301 C "C5'" . U   C 86  ? 1.7666 2.4878 2.6136 0.2456  0.1399  -0.0654 85  U   C "C5'" 
4302 C "C4'" . U   C 86  ? 1.7694 2.5025 2.6207 0.2181  0.1719  -0.0732 85  U   C "C4'" 
4303 O "O4'" . U   C 86  ? 1.7913 2.5584 2.5196 0.2131  0.1927  -0.0590 85  U   C "O4'" 
4304 C "C3'" . U   C 86  ? 1.8054 2.4955 2.6829 0.2352  0.1284  -0.0666 85  U   C "C3'" 
4305 O "O3'" . U   C 86  ? 1.7912 2.4558 2.8102 0.2261  0.1203  -0.0814 85  U   C "O3'" 
4306 C "C2'" . U   C 86  ? 1.8163 2.5317 2.6388 0.2131  0.1650  -0.0651 85  U   C "C2'" 
4307 O "O2'" . U   C 86  ? 1.7692 2.5031 2.6791 0.1697  0.2220  -0.0889 85  U   C "O2'" 
4308 C "C1'" . U   C 86  ? 1.8127 2.5712 2.5195 0.2103  0.1894  -0.0527 85  U   C "C1'" 
4309 N N1    . U   C 86  ? 1.8730 2.6200 2.4635 0.2474  0.1501  -0.0228 85  U   C N1    
4310 C C2    . U   C 86  ? 1.9133 2.6626 2.4516 0.2465  0.1526  -0.0095 85  U   C C2    
4311 O O2    . U   C 86  ? 1.8974 2.6581 2.4781 0.2161  0.1839  -0.0212 85  U   C O2    
4312 N N3    . U   C 86  ? 1.9744 2.7091 2.4097 0.2836  0.1194  0.0192  85  U   C N3    
4313 C C4    . U   C 86  ? 1.9850 2.7012 2.3614 0.3201  0.0868  0.0349  85  U   C C4    
4314 O O4    . U   C 86  ? 2.0284 2.7277 2.3136 0.3519  0.0648  0.0607  85  U   C O4    
4315 C C5    . U   C 86  ? 1.9279 2.6438 2.3596 0.3178  0.0850  0.0197  85  U   C C5    
4316 C C6    . U   C 86  ? 1.8926 2.6248 2.4282 0.2827  0.1153  -0.0073 85  U   C C6    
4317 P P     . U   C 87  ? 1.8080 2.4135 2.8722 0.2566  0.0447  -0.0702 86  U   C P     
4318 O OP1   . U   C 87  ? 1.7336 2.3247 2.9499 0.2479  0.0368  -0.0809 86  U   C OP1   
4319 O OP2   . U   C 87  ? 1.8347 2.4132 2.7744 0.2972  -0.0095 -0.0479 86  U   C OP2   
4320 O "O5'" . U   C 87  ? 1.8317 2.4285 2.9072 0.2441  0.0526  -0.0722 86  U   C "O5'" 
4321 C "C5'" . U   C 87  ? 1.7852 2.3991 2.9681 0.2069  0.1053  -0.0913 86  U   C "C5'" 
4322 C "C4'" . U   C 87  ? 1.8113 2.4260 2.9581 0.1971  0.1201  -0.0886 86  U   C "C4'" 
4323 O "O4'" . U   C 87  ? 1.8313 2.4787 2.8366 0.1967  0.1441  -0.0782 86  U   C "O4'" 
4324 C "C3'" . U   C 87  ? 1.8718 2.4377 3.0093 0.2252  0.0543  -0.0740 86  U   C "C3'" 
4325 O "O3'" . U   C 87  ? 1.8522 2.3887 3.1323 0.2182  0.0344  -0.0813 86  U   C "O3'" 
4326 C "C2'" . U   C 87  ? 1.8903 2.4726 2.9350 0.2193  0.0797  -0.0662 86  U   C "C2'" 
4327 O "O2'" . U   C 87  ? 1.8431 2.4403 2.9692 0.1849  0.1299  -0.0802 86  U   C "O2'" 
4328 C "C1'" . U   C 87  ? 1.8651 2.4948 2.8055 0.2120  0.1194  -0.0625 86  U   C "C1'" 
4329 N N1    . U   C 87  ? 1.9040 2.5211 2.7186 0.2498  0.0766  -0.0397 86  U   C N1    
4330 C C2    . U   C 87  ? 1.9504 2.5591 2.6744 0.2652  0.0645  -0.0210 86  U   C C2    
4331 O O2    . U   C 87  ? 1.9479 2.5612 2.6903 0.2487  0.0850  -0.0221 86  U   C O2    
4332 N N3    . U   C 87  ? 1.9958 2.5885 2.6089 0.3011  0.0305  0.0004  86  U   C N3    
4333 C C4    . U   C 87  ? 1.9898 2.5738 2.5697 0.3228  0.0070  0.0048  86  U   C C4    
4334 O O4    . U   C 87  ? 2.0162 2.5819 2.4921 0.3554  -0.0181 0.0255  86  U   C O4    
4335 C C5    . U   C 87  ? 1.9355 2.5315 2.6128 0.3048  0.0185  -0.0150 86  U   C C5    
4336 C C6    . U   C 87  ? 1.9029 2.5145 2.6926 0.2700  0.0524  -0.0358 86  U   C C6    
4337 P P     . A   C 88  ? 1.9114 2.3865 3.2159 0.2496  -0.0562 -0.0677 87  A   C P     
4338 O OP1   . A   C 88  ? 1.8485 2.3091 3.3289 0.2342  -0.0654 -0.0751 87  A   C OP1   
4339 O OP2   . A   C 88  ? 1.9228 2.3820 3.1238 0.2808  -0.1000 -0.0549 87  A   C OP2   
4340 O "O5'" . A   C 88  ? 1.9458 2.3963 3.1797 0.2595  -0.0758 -0.0583 87  A   C "O5'" 
4341 C "C5'" . A   C 88  ? 1.9210 2.3842 3.2159 0.2345  -0.0351 -0.0660 87  A   C "C5'" 
4342 C "C4'" . A   C 88  ? 1.9748 2.4233 3.1625 0.2482  -0.0470 -0.0535 87  A   C "C4'" 
4343 O "O4'" . A   C 88  ? 1.9956 2.4781 3.0433 0.2548  -0.0174 -0.0449 87  A   C "O4'" 
4344 C "C3'" . A   C 88  ? 2.0286 2.4133 3.1689 0.2816  -0.1283 -0.0401 87  A   C "C3'" 
4345 O "O3'" . A   C 88  ? 2.0126 2.3606 3.2622 0.2750  -0.1608 -0.0429 87  A   C "O3'" 
4346 C "C2'" . A   C 88  ? 2.0677 2.4542 3.0570 0.2987  -0.1198 -0.0258 87  A   C "C2'" 
4347 O "O2'" . A   C 88  ? 2.0688 2.4588 3.0785 0.2851  -0.0955 -0.0252 87  A   C "O2'" 
4348 C "C1'" . A   C 88  ? 2.0426 2.4917 2.9742 0.2864  -0.0596 -0.0265 87  A   C "C1'" 
4349 N N9    . A   C 88  ? 2.0623 2.5062 2.8987 0.3126  -0.0839 -0.0167 87  A   C N9    
4350 C C8    . A   C 88  ? 2.0278 2.4883 2.8933 0.3103  -0.0808 -0.0237 87  A   C C8    
4351 N N7    . A   C 88  ? 2.0621 2.5132 2.8231 0.3377  -0.1029 -0.0107 87  A   C N7    
4352 C C5    . A   C 88  ? 2.1228 2.5481 2.7790 0.3598  -0.1195 0.0060  87  A   C C5    
4353 C C6    . A   C 88  ? 2.1771 2.5785 2.6988 0.3941  -0.1409 0.0258  87  A   C C6    
4354 N N6    . A   C 88  ? 2.1962 2.5968 2.6617 0.4127  -0.1514 0.0326  87  A   C N6    
4355 N N1    . A   C 88  ? 2.2204 2.5962 2.6692 0.4094  -0.1480 0.0398  87  A   C N1    
4356 C C2    . A   C 88  ? 2.2072 2.5837 2.7140 0.3910  -0.1369 0.0339  87  A   C C2    
4357 N N3    . A   C 88  ? 2.1728 2.5709 2.8034 0.3588  -0.1173 0.0160  87  A   C N3    
4358 C C4    . A   C 88  ? 2.1266 2.5480 2.8280 0.3445  -0.1085 0.0024  87  A   C C4    
4359 P P     . C   C 89  ? 2.0524 2.3257 3.2968 0.3004  -0.2550 -0.0336 88  C   C P     
4360 O OP1   . C   C 89  ? 2.0289 2.2788 3.4008 0.2847  -0.2728 -0.0368 88  C   C OP1   
4361 O OP2   . C   C 89  ? 2.0662 2.3286 3.3159 0.3121  -0.2916 -0.0316 88  C   C OP2   
4362 O "O5'" . C   C 89  ? 2.0942 2.3366 3.1663 0.3285  -0.2743 -0.0208 88  C   C "O5'" 
4363 C "C5'" . C   C 89  ? 2.1329 2.3120 3.1114 0.3588  -0.3431 -0.0114 88  C   C "C5'" 
4364 C "C4'" . C   C 89  ? 2.1792 2.3349 3.0020 0.3829  -0.3408 0.0004  88  C   C "C4'" 
4365 O "O4'" . C   C 89  ? 2.2029 2.4151 2.9406 0.3872  -0.2840 0.0067  88  C   C "O4'" 
4366 C "C3'" . C   C 89  ? 2.2368 2.3126 2.9485 0.4147  -0.4086 0.0091  88  C   C "C3'" 
4367 O "O3'" . C   C 89  ? 2.2207 2.2274 2.9619 0.4149  -0.4674 0.0069  88  C   C "O3'" 
4368 C "C2'" . C   C 89  ? 2.2901 2.3741 2.8515 0.4372  -0.3735 0.0225  88  C   C "C2'" 
4369 O "O2'" . C   C 89  ? 2.2815 2.3550 2.8235 0.4362  -0.3579 0.0267  88  C   C "O2'" 
4370 C "C1'" . C   C 89  ? 2.2707 2.4456 2.8580 0.4203  -0.3037 0.0216  88  C   C "C1'" 
4371 N N1    . C   C 89  ? 2.2986 2.4851 2.8377 0.4335  -0.3069 0.0250  88  C   C N1    
4372 C C2    . C   C 89  ? 2.3617 2.5221 2.7571 0.4659  -0.3147 0.0407  88  C   C C2    
4373 O O2    . C   C 89  ? 2.4120 2.5361 2.7151 0.4852  -0.3186 0.0524  88  C   C O2    
4374 N N3    . C   C 89  ? 2.3755 2.5486 2.7375 0.4766  -0.3154 0.0439  88  C   C N3    
4375 C C4    . C   C 89  ? 2.3071 2.5174 2.7710 0.4563  -0.3090 0.0319  88  C   C C4    
4376 N N4    . C   C 89  ? 2.3116 2.5336 2.7414 0.4677  -0.3088 0.0359  88  C   C N4    
4377 C C5    . C   C 89  ? 2.2365 2.4725 2.8472 0.4237  -0.2987 0.0159  88  C   C C5    
4378 C C6    . C   C 89  ? 2.2379 2.4611 2.8806 0.4136  -0.2977 0.0133  88  C   C C6    
4379 P P     . C   C 90  ? 2.1953 2.1087 2.8697 0.4352  -0.5545 0.0104  89  C   C P     
4380 O OP1   . C   C 90  ? 2.0412 1.9006 2.7969 0.4215  -0.6109 0.0057  89  C   C OP1   
4381 O OP2   . C   C 90  ? 2.2092 2.1388 2.8939 0.4388  -0.5666 0.0117  89  C   C OP2   
4382 O "O5'" . C   C 90  ? 2.2834 2.1498 2.7719 0.4673  -0.5506 0.0205  89  C   C "O5'" 
4383 C "C5'" . C   C 90  ? 2.3429 2.1119 2.7238 0.4888  -0.6158 0.0236  89  C   C "C5'" 
4384 C "C4'" . C   C 90  ? 2.4545 2.1973 2.6641 0.5211  -0.5898 0.0350  89  C   C "C4'" 
4385 O "O4'" . C   C 90  ? 2.4468 2.2769 2.6473 0.5244  -0.5222 0.0427  89  C   C "O4'" 
4386 C "C3'" . C   C 90  ? 2.5267 2.1831 2.6107 0.5459  -0.6419 0.0391  89  C   C "C3'" 
4387 O "O3'" . C   C 90  ? 2.5251 2.0764 2.5453 0.5512  -0.6999 0.0349  89  C   C "O3'" 
4388 C "C2'" . C   C 90  ? 2.5903 2.2712 2.5526 0.5735  -0.5853 0.0533  89  C   C "C2'" 
4389 O "O2'" . C   C 90  ? 2.6099 2.2593 2.4852 0.5892  -0.5596 0.0607  89  C   C "O2'" 
4390 C "C1'" . C   C 90  ? 2.5374 2.3377 2.6031 0.5544  -0.5221 0.0541  89  C   C "C1'" 
4391 N N1    . C   C 90  ? 2.5397 2.3784 2.6501 0.5496  -0.5262 0.0522  89  C   C N1    
4392 C C2    . C   C 90  ? 2.6092 2.4322 2.6125 0.5755  -0.5238 0.0631  89  C   C C2    
4393 O O2    . C   C 90  ? 2.6623 2.4373 2.5305 0.6038  -0.5161 0.0748  89  C   C O2    
4394 N N3    . C   C 90  ? 2.5893 2.4493 2.6428 0.5697  -0.5265 0.0614  89  C   C N3    
4395 C C4    . C   C 90  ? 2.4907 2.3996 2.6940 0.5402  -0.5296 0.0498  89  C   C C4    
4396 N N4    . C   C 90  ? 2.4292 2.3711 2.6787 0.5363  -0.5296 0.0494  89  C   C N4    
4397 C C5    . C   C 90  ? 2.4244 2.3487 2.7400 0.5139  -0.5296 0.0391  89  C   C C5    
4398 C C6    . C   C 90  ? 2.4544 2.3436 2.7178 0.5196  -0.5287 0.0408  89  C   C C6    
# 
