data_7QUB
# 
_entry.id   7QUB 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.397 
_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   7QUB         pdb_00007qub 10.2210/pdb7qub/pdb 
WWPDB D_1292120317 ?            ?                   
# 
loop_
_pdbx_audit_revision_history.ordinal 
_pdbx_audit_revision_history.data_content_type 
_pdbx_audit_revision_history.major_revision 
_pdbx_audit_revision_history.minor_revision 
_pdbx_audit_revision_history.revision_date 
1 'Structure model' 1 0 2022-04-27 
2 'Structure model' 1 1 2022-11-09 
3 'Structure model' 1 2 2024-01-31 
4 'Structure model' 1 3 2024-10-16 
# 
_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             ? 
# 
loop_
_pdbx_audit_revision_group.ordinal 
_pdbx_audit_revision_group.revision_ordinal 
_pdbx_audit_revision_group.data_content_type 
_pdbx_audit_revision_group.group 
1 2 'Structure model' 'Database references'    
2 2 'Structure model' 'Derived calculations'   
3 3 'Structure model' 'Data collection'        
4 3 'Structure model' 'Refinement description' 
5 4 'Structure model' 'Structure summary'      
# 
loop_
_pdbx_audit_revision_category.ordinal 
_pdbx_audit_revision_category.revision_ordinal 
_pdbx_audit_revision_category.data_content_type 
_pdbx_audit_revision_category.category 
1 2 'Structure model' atom_type                     
2 2 'Structure model' citation                      
3 2 'Structure model' citation_author               
4 3 'Structure model' chem_comp_atom                
5 3 'Structure model' chem_comp_bond                
6 3 'Structure model' pdbx_initial_refinement_model 
7 4 'Structure model' pdbx_entry_details            
8 4 'Structure model' pdbx_modification_feature     
# 
loop_
_pdbx_audit_revision_item.ordinal 
_pdbx_audit_revision_item.revision_ordinal 
_pdbx_audit_revision_item.data_content_type 
_pdbx_audit_revision_item.item 
1  2 'Structure model' '_atom_type.pdbx_N_electrons'                  
2  2 'Structure model' '_atom_type.pdbx_scat_Z'                       
3  2 'Structure model' '_citation.country'                            
4  2 'Structure model' '_citation.journal_abbrev'                     
5  2 'Structure model' '_citation.journal_id_CSD'                     
6  2 'Structure model' '_citation.journal_id_ISSN'                    
7  2 'Structure model' '_citation.journal_volume'                     
8  2 'Structure model' '_citation.pdbx_database_id_DOI'               
9  2 'Structure model' '_citation.pdbx_database_id_PubMed'            
10 2 'Structure model' '_citation.title'                              
11 2 'Structure model' '_citation.year'                               
12 4 'Structure model' '_pdbx_entry_details.has_protein_modification' 
# 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.entry_id                        7QUB 
_pdbx_database_status.recvd_initial_deposition_date   2022-01-17 
_pdbx_database_status.SG_entry                        N 
_pdbx_database_status.deposit_site                    PDBE 
_pdbx_database_status.process_site                    PDBE 
_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           N 
# 
_pdbx_contact_author.id                 2 
_pdbx_contact_author.email              rolf.hilgenfeld@uni-luebeck.de 
_pdbx_contact_author.name_first         Rolf 
_pdbx_contact_author.name_last          'Prof. Dr. Dr. Hilgenfeld' 
_pdbx_contact_author.name_mi            ? 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0001-8850-2977 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'El Kilani, H.'  1 0000-0003-4084-3582 
'Hilgenfeld, R.' 2 0000-0001-8850-2977 
# 
_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                   CH 
_citation.database_id_Medline       ? 
_citation.details                   ? 
_citation.id                        primary 
_citation.journal_abbrev            Molecules 
_citation.journal_id_ASTM           ? 
_citation.journal_id_CSD            ? 
_citation.journal_id_ISSN           1420-3049 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            27 
_citation.language                  ? 
_citation.page_first                ? 
_citation.page_last                 ? 
_citation.title                     
'From Repurposing to Redesign: Optimization of Boceprevir to Highly Potent Inhibitors of the SARS-CoV-2 Main Protease.' 
_citation.year                      2022 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      10.3390/molecules27134292 
_citation.pdbx_database_id_PubMed   35807537 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Gohl, M.'       1 ?                   
primary 'Zhang, L.'      2 ?                   
primary 'El Kilani, H.'  3 ?                   
primary 'Sun, X.'        4 ?                   
primary 'Zhang, K.'      5 ?                   
primary 'Bronstrup, M.'  6 0000-0002-8971-7045 
primary 'Hilgenfeld, R.' 7 0000-0001-8850-2977 
# 
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' 20139.160 1  3.4.22.28 ? ? ? 
2 non-polymer syn 
;(1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
;
550.691   1  ?         ? ? ? 
3 non-polymer nat 'SODIUM ION' 22.990    1  ?         ? ? ? 
4 water       nat water 18.015    52 ?         ? ? ? 
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        'Protein 3CD,3C protein,Picornain 3C,P3C' 
# 
_entity_poly.entity_id                      1 
_entity_poly.type                           'polypeptide(L)' 
_entity_poly.nstd_linkage                   no 
_entity_poly.nstd_monomer                   no 
_entity_poly.pdbx_seq_one_letter_code       
;PSLDFALSLLRRNIRQVQTDQGHFTMLGVRDHLAVLPRHSQPGKTIWVEHKLVRIVDAVELVDEQGVNLELTLVTLDTNE
KFRDITRFIPETISPASDATLVINTEHMPSMFVPVGDVVQYGFLNLSGKPTHRTMMYNFPTKAGQCGGVVTAVGKVIGIH
IGGNGRQGFCAALKRGYFCSEQ
;
_entity_poly.pdbx_seq_one_letter_code_can   
;PSLDFALSLLRRNIRQVQTDQGHFTMLGVRDHLAVLPRHSQPGKTIWVEHKLVRIVDAVELVDEQGVNLELTLVTLDTNE
KFRDITRFIPETISPASDATLVINTEHMPSMFVPVGDVVQYGFLNLSGKPTHRTMMYNFPTKAGQCGGVVTAVGKVIGIH
IGGNGRQGFCAALKRGYFCSEQ
;
_entity_poly.pdbx_strand_id                 AAA 
_entity_poly.pdbx_target_identifier         ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
2 
;(1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
;
I70 
3 'SODIUM ION' NA  
4 water HOH 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   PRO n 
1 2   SER n 
1 3   LEU n 
1 4   ASP n 
1 5   PHE n 
1 6   ALA n 
1 7   LEU n 
1 8   SER n 
1 9   LEU n 
1 10  LEU n 
1 11  ARG n 
1 12  ARG n 
1 13  ASN n 
1 14  ILE n 
1 15  ARG n 
1 16  GLN n 
1 17  VAL n 
1 18  GLN n 
1 19  THR n 
1 20  ASP n 
1 21  GLN n 
1 22  GLY n 
1 23  HIS n 
1 24  PHE n 
1 25  THR n 
1 26  MET n 
1 27  LEU n 
1 28  GLY n 
1 29  VAL n 
1 30  ARG n 
1 31  ASP n 
1 32  HIS n 
1 33  LEU n 
1 34  ALA n 
1 35  VAL n 
1 36  LEU n 
1 37  PRO n 
1 38  ARG n 
1 39  HIS n 
1 40  SER n 
1 41  GLN n 
1 42  PRO n 
1 43  GLY n 
1 44  LYS n 
1 45  THR n 
1 46  ILE n 
1 47  TRP n 
1 48  VAL n 
1 49  GLU n 
1 50  HIS n 
1 51  LYS n 
1 52  LEU n 
1 53  VAL n 
1 54  ARG n 
1 55  ILE n 
1 56  VAL n 
1 57  ASP n 
1 58  ALA n 
1 59  VAL n 
1 60  GLU n 
1 61  LEU n 
1 62  VAL n 
1 63  ASP n 
1 64  GLU n 
1 65  GLN n 
1 66  GLY n 
1 67  VAL n 
1 68  ASN n 
1 69  LEU n 
1 70  GLU n 
1 71  LEU n 
1 72  THR n 
1 73  LEU n 
1 74  VAL n 
1 75  THR n 
1 76  LEU n 
1 77  ASP n 
1 78  THR n 
1 79  ASN n 
1 80  GLU n 
1 81  LYS n 
1 82  PHE n 
1 83  ARG n 
1 84  ASP n 
1 85  ILE n 
1 86  THR n 
1 87  ARG n 
1 88  PHE n 
1 89  ILE n 
1 90  PRO n 
1 91  GLU n 
1 92  THR n 
1 93  ILE n 
1 94  SER n 
1 95  PRO n 
1 96  ALA n 
1 97  SER n 
1 98  ASP n 
1 99  ALA n 
1 100 THR n 
1 101 LEU n 
1 102 VAL n 
1 103 ILE n 
1 104 ASN n 
1 105 THR n 
1 106 GLU n 
1 107 HIS n 
1 108 MET n 
1 109 PRO n 
1 110 SER n 
1 111 MET n 
1 112 PHE n 
1 113 VAL n 
1 114 PRO n 
1 115 VAL n 
1 116 GLY n 
1 117 ASP n 
1 118 VAL n 
1 119 VAL n 
1 120 GLN n 
1 121 TYR n 
1 122 GLY n 
1 123 PHE n 
1 124 LEU n 
1 125 ASN n 
1 126 LEU n 
1 127 SER n 
1 128 GLY n 
1 129 LYS n 
1 130 PRO n 
1 131 THR n 
1 132 HIS n 
1 133 ARG n 
1 134 THR n 
1 135 MET n 
1 136 MET n 
1 137 TYR n 
1 138 ASN n 
1 139 PHE n 
1 140 PRO n 
1 141 THR n 
1 142 LYS n 
1 143 ALA n 
1 144 GLY n 
1 145 GLN n 
1 146 CYS n 
1 147 GLY n 
1 148 GLY n 
1 149 VAL n 
1 150 VAL n 
1 151 THR n 
1 152 ALA n 
1 153 VAL n 
1 154 GLY n 
1 155 LYS n 
1 156 VAL n 
1 157 ILE n 
1 158 GLY n 
1 159 ILE n 
1 160 HIS n 
1 161 ILE n 
1 162 GLY n 
1 163 GLY n 
1 164 ASN n 
1 165 GLY n 
1 166 ARG n 
1 167 GLN n 
1 168 GLY n 
1 169 PHE n 
1 170 CYS n 
1 171 ALA n 
1 172 ALA n 
1 173 LEU n 
1 174 LYS n 
1 175 ARG n 
1 176 GLY n 
1 177 TYR n 
1 178 PHE n 
1 179 CYS n 
1 180 SER n 
1 181 GLU n 
1 182 GLN n 
# 
_entity_src_gen.entity_id                          1 
_entity_src_gen.pdbx_src_id                        1 
_entity_src_gen.pdbx_alt_source_flag               sample 
_entity_src_gen.pdbx_seq_type                      'Biological sequence' 
_entity_src_gen.pdbx_beg_seq_num                   1 
_entity_src_gen.pdbx_end_seq_num                   182 
_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      'Human enterovirus 71' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     39054 
_entity_src_gen.pdbx_gene_src_variant              ? 
_entity_src_gen.pdbx_gene_src_cell_line            ? 
_entity_src_gen.pdbx_gene_src_atcc                 ? 
_entity_src_gen.pdbx_gene_src_organ                ? 
_entity_src_gen.pdbx_gene_src_organelle            ? 
_entity_src_gen.pdbx_gene_src_cell                 ? 
_entity_src_gen.pdbx_gene_src_cellular_location    ? 
_entity_src_gen.host_org_common_name               ? 
_entity_src_gen.pdbx_host_org_scientific_name      'Escherichia coli BL21(DE3)' 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     469008 
_entity_src_gen.host_org_genus                     ? 
_entity_src_gen.pdbx_host_org_gene                 ? 
_entity_src_gen.pdbx_host_org_organ                ? 
_entity_src_gen.host_org_species                   ? 
_entity_src_gen.pdbx_host_org_tissue               ? 
_entity_src_gen.pdbx_host_org_tissue_fraction      ? 
_entity_src_gen.pdbx_host_org_strain               ? 
_entity_src_gen.pdbx_host_org_variant              ? 
_entity_src_gen.pdbx_host_org_cell_line            ? 
_entity_src_gen.pdbx_host_org_atcc                 ? 
_entity_src_gen.pdbx_host_org_culture_collection   ? 
_entity_src_gen.pdbx_host_org_cell                 ? 
_entity_src_gen.pdbx_host_org_organelle            ? 
_entity_src_gen.pdbx_host_org_cellular_location    ? 
_entity_src_gen.pdbx_host_org_vector_type          ? 
_entity_src_gen.pdbx_host_org_vector               ? 
_entity_src_gen.host_org_details                   ? 
_entity_src_gen.expression_system_id               ? 
_entity_src_gen.plasmid_name                       ? 
_entity_src_gen.plasmid_details                    ? 
_entity_src_gen.pdbx_description                   ? 
# 
loop_
_chem_comp.id 
_chem_comp.type 
_chem_comp.mon_nstd_flag 
_chem_comp.name 
_chem_comp.pdbx_synonyms 
_chem_comp.formula 
_chem_comp.formula_weight 
ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2'     89.093  
ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 
ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3'    132.118 
ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4'     133.103 
CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S'   121.158 
GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3'   146.144 
GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4'     147.129 
GLY 'peptide linking'   y GLYCINE ? 'C2 H5 N O2'     75.067  
HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 
HOH non-polymer         . WATER ? 'H2 O'           18.015  
I70 non-polymer         . 
;(1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
;
? 'C27 H46 N6 O6'  550.691 
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 
NA  non-polymer         . 'SODIUM ION' ? 'Na 1'           22.990  
PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2'    165.189 
PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2'     115.130 
SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3'     105.093 
THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3'     119.119 
TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2'  204.225 
TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3'    181.189 
VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2'    117.146 
# 
loop_
_pdbx_poly_seq_scheme.asym_id 
_pdbx_poly_seq_scheme.entity_id 
_pdbx_poly_seq_scheme.seq_id 
_pdbx_poly_seq_scheme.mon_id 
_pdbx_poly_seq_scheme.ndb_seq_num 
_pdbx_poly_seq_scheme.pdb_seq_num 
_pdbx_poly_seq_scheme.auth_seq_num 
_pdbx_poly_seq_scheme.pdb_mon_id 
_pdbx_poly_seq_scheme.auth_mon_id 
_pdbx_poly_seq_scheme.pdb_strand_id 
_pdbx_poly_seq_scheme.pdb_ins_code 
_pdbx_poly_seq_scheme.hetero 
A 1 1   PRO 1   2   2   PRO PRO AAA . n 
A 1 2   SER 2   3   3   SER SER AAA . n 
A 1 3   LEU 3   4   4   LEU LEU AAA . n 
A 1 4   ASP 4   5   5   ASP ASP AAA . n 
A 1 5   PHE 5   6   6   PHE PHE AAA . n 
A 1 6   ALA 6   7   7   ALA ALA AAA . n 
A 1 7   LEU 7   8   8   LEU LEU AAA . n 
A 1 8   SER 8   9   9   SER SER AAA . n 
A 1 9   LEU 9   10  10  LEU LEU AAA . n 
A 1 10  LEU 10  11  11  LEU LEU AAA . n 
A 1 11  ARG 11  12  12  ARG ARG AAA . n 
A 1 12  ARG 12  13  13  ARG ARG AAA . n 
A 1 13  ASN 13  14  14  ASN ASN AAA . n 
A 1 14  ILE 14  15  15  ILE ILE AAA . n 
A 1 15  ARG 15  16  16  ARG ARG AAA . n 
A 1 16  GLN 16  17  17  GLN GLN AAA . n 
A 1 17  VAL 17  18  18  VAL VAL AAA . n 
A 1 18  GLN 18  19  19  GLN GLN AAA . n 
A 1 19  THR 19  20  20  THR THR AAA . n 
A 1 20  ASP 20  21  21  ASP ASP AAA . n 
A 1 21  GLN 21  22  22  GLN GLN AAA . n 
A 1 22  GLY 22  23  23  GLY GLY AAA . n 
A 1 23  HIS 23  24  24  HIS HIS AAA . n 
A 1 24  PHE 24  25  25  PHE PHE AAA . n 
A 1 25  THR 25  26  26  THR THR AAA . n 
A 1 26  MET 26  27  27  MET MET AAA . n 
A 1 27  LEU 27  28  28  LEU LEU AAA . n 
A 1 28  GLY 28  29  29  GLY GLY AAA . n 
A 1 29  VAL 29  30  30  VAL VAL AAA . n 
A 1 30  ARG 30  31  31  ARG ARG AAA . n 
A 1 31  ASP 31  32  32  ASP ASP AAA . n 
A 1 32  HIS 32  33  33  HIS HIS AAA . n 
A 1 33  LEU 33  34  34  LEU LEU AAA . n 
A 1 34  ALA 34  35  35  ALA ALA AAA . n 
A 1 35  VAL 35  36  36  VAL VAL AAA . n 
A 1 36  LEU 36  37  37  LEU LEU AAA . n 
A 1 37  PRO 37  38  38  PRO PRO AAA . n 
A 1 38  ARG 38  39  39  ARG ARG AAA . n 
A 1 39  HIS 39  40  40  HIS HIS AAA . n 
A 1 40  SER 40  41  41  SER SER AAA . n 
A 1 41  GLN 41  42  42  GLN GLN AAA . n 
A 1 42  PRO 42  43  43  PRO PRO AAA . n 
A 1 43  GLY 43  44  44  GLY GLY AAA . n 
A 1 44  LYS 44  45  45  LYS LYS AAA . n 
A 1 45  THR 45  46  46  THR THR AAA . n 
A 1 46  ILE 46  47  47  ILE ILE AAA . n 
A 1 47  TRP 47  48  48  TRP TRP AAA . n 
A 1 48  VAL 48  49  49  VAL VAL AAA . n 
A 1 49  GLU 49  50  50  GLU GLU AAA . n 
A 1 50  HIS 50  51  51  HIS HIS AAA . n 
A 1 51  LYS 51  52  52  LYS LYS AAA . n 
A 1 52  LEU 52  53  53  LEU LEU AAA . n 
A 1 53  VAL 53  54  54  VAL VAL AAA . n 
A 1 54  ARG 54  55  55  ARG ARG AAA . n 
A 1 55  ILE 55  56  56  ILE ILE AAA . n 
A 1 56  VAL 56  57  57  VAL VAL AAA . n 
A 1 57  ASP 57  58  58  ASP ASP AAA . n 
A 1 58  ALA 58  59  59  ALA ALA AAA . n 
A 1 59  VAL 59  60  60  VAL VAL AAA . n 
A 1 60  GLU 60  61  61  GLU GLU AAA . n 
A 1 61  LEU 61  62  62  LEU LEU AAA . n 
A 1 62  VAL 62  63  63  VAL VAL AAA . n 
A 1 63  ASP 63  64  64  ASP ASP AAA . n 
A 1 64  GLU 64  65  65  GLU GLU AAA . n 
A 1 65  GLN 65  66  66  GLN GLN AAA . n 
A 1 66  GLY 66  67  67  GLY GLY AAA . n 
A 1 67  VAL 67  68  68  VAL VAL AAA . n 
A 1 68  ASN 68  69  69  ASN ASN AAA . n 
A 1 69  LEU 69  70  70  LEU LEU AAA . n 
A 1 70  GLU 70  71  71  GLU GLU AAA . n 
A 1 71  LEU 71  72  72  LEU LEU AAA . n 
A 1 72  THR 72  73  73  THR THR AAA . n 
A 1 73  LEU 73  74  74  LEU LEU AAA . n 
A 1 74  VAL 74  75  75  VAL VAL AAA . n 
A 1 75  THR 75  76  76  THR THR AAA . n 
A 1 76  LEU 76  77  77  LEU LEU AAA . n 
A 1 77  ASP 77  78  78  ASP ASP AAA . n 
A 1 78  THR 78  79  79  THR THR AAA . n 
A 1 79  ASN 79  80  80  ASN ASN AAA . n 
A 1 80  GLU 80  81  81  GLU GLU AAA . n 
A 1 81  LYS 81  82  82  LYS LYS AAA . n 
A 1 82  PHE 82  83  83  PHE PHE AAA . n 
A 1 83  ARG 83  84  84  ARG ARG AAA . n 
A 1 84  ASP 84  85  85  ASP ASP AAA . n 
A 1 85  ILE 85  86  86  ILE ILE AAA . n 
A 1 86  THR 86  87  87  THR THR AAA . n 
A 1 87  ARG 87  88  88  ARG ARG AAA . n 
A 1 88  PHE 88  89  89  PHE PHE AAA . n 
A 1 89  ILE 89  90  90  ILE ILE AAA . n 
A 1 90  PRO 90  91  91  PRO PRO AAA . n 
A 1 91  GLU 91  92  92  GLU GLU AAA . n 
A 1 92  THR 92  93  93  THR THR AAA . n 
A 1 93  ILE 93  94  94  ILE ILE AAA . n 
A 1 94  SER 94  95  95  SER SER AAA . n 
A 1 95  PRO 95  96  96  PRO PRO AAA . n 
A 1 96  ALA 96  97  97  ALA ALA AAA . n 
A 1 97  SER 97  98  98  SER SER AAA . n 
A 1 98  ASP 98  99  99  ASP ASP AAA . n 
A 1 99  ALA 99  100 100 ALA ALA AAA . n 
A 1 100 THR 100 101 101 THR THR AAA . n 
A 1 101 LEU 101 102 102 LEU LEU AAA . n 
A 1 102 VAL 102 103 103 VAL VAL AAA . n 
A 1 103 ILE 103 104 104 ILE ILE AAA . n 
A 1 104 ASN 104 105 105 ASN ASN AAA . n 
A 1 105 THR 105 106 106 THR THR AAA . n 
A 1 106 GLU 106 107 107 GLU GLU AAA . n 
A 1 107 HIS 107 108 108 HIS HIS AAA . n 
A 1 108 MET 108 109 109 MET MET AAA . n 
A 1 109 PRO 109 110 110 PRO PRO AAA . n 
A 1 110 SER 110 111 111 SER SER AAA . n 
A 1 111 MET 111 112 112 MET MET AAA . n 
A 1 112 PHE 112 113 113 PHE PHE AAA . n 
A 1 113 VAL 113 114 114 VAL VAL AAA . n 
A 1 114 PRO 114 115 115 PRO PRO AAA . n 
A 1 115 VAL 115 116 116 VAL VAL AAA . n 
A 1 116 GLY 116 117 117 GLY GLY AAA . n 
A 1 117 ASP 117 118 118 ASP ASP AAA . n 
A 1 118 VAL 118 119 119 VAL VAL AAA . n 
A 1 119 VAL 119 120 120 VAL VAL AAA . n 
A 1 120 GLN 120 121 121 GLN GLN AAA . n 
A 1 121 TYR 121 122 122 TYR TYR AAA . n 
A 1 122 GLY 122 123 123 GLY GLY AAA . n 
A 1 123 PHE 123 124 124 PHE PHE AAA . n 
A 1 124 LEU 124 125 125 LEU LEU AAA . n 
A 1 125 ASN 125 126 126 ASN ASN AAA . n 
A 1 126 LEU 126 127 127 LEU LEU AAA . n 
A 1 127 SER 127 128 128 SER SER AAA . n 
A 1 128 GLY 128 129 129 GLY GLY AAA . n 
A 1 129 LYS 129 130 130 LYS LYS AAA . n 
A 1 130 PRO 130 131 131 PRO PRO AAA . n 
A 1 131 THR 131 132 132 THR THR AAA . n 
A 1 132 HIS 132 133 133 HIS HIS AAA . n 
A 1 133 ARG 133 134 134 ARG ARG AAA . n 
A 1 134 THR 134 135 135 THR THR AAA . n 
A 1 135 MET 135 136 136 MET MET AAA . n 
A 1 136 MET 136 137 137 MET MET AAA . n 
A 1 137 TYR 137 138 138 TYR TYR AAA . n 
A 1 138 ASN 138 139 139 ASN ASN AAA . n 
A 1 139 PHE 139 140 140 PHE PHE AAA . n 
A 1 140 PRO 140 141 141 PRO PRO AAA . n 
A 1 141 THR 141 142 142 THR THR AAA . n 
A 1 142 LYS 142 143 143 LYS LYS AAA . n 
A 1 143 ALA 143 144 144 ALA ALA AAA . n 
A 1 144 GLY 144 145 145 GLY GLY AAA . n 
A 1 145 GLN 145 146 146 GLN GLN AAA . n 
A 1 146 CYS 146 147 147 CYS CYS AAA . n 
A 1 147 GLY 147 148 148 GLY GLY AAA . n 
A 1 148 GLY 148 149 149 GLY GLY AAA . n 
A 1 149 VAL 149 150 150 VAL VAL AAA . n 
A 1 150 VAL 150 151 151 VAL VAL AAA . n 
A 1 151 THR 151 152 152 THR THR AAA . n 
A 1 152 ALA 152 153 153 ALA ALA AAA . n 
A 1 153 VAL 153 154 154 VAL VAL AAA . n 
A 1 154 GLY 154 155 155 GLY GLY AAA . n 
A 1 155 LYS 155 156 156 LYS LYS AAA . n 
A 1 156 VAL 156 157 157 VAL VAL AAA . n 
A 1 157 ILE 157 158 158 ILE ILE AAA . n 
A 1 158 GLY 158 159 159 GLY GLY AAA . n 
A 1 159 ILE 159 160 160 ILE ILE AAA . n 
A 1 160 HIS 160 161 161 HIS HIS AAA . n 
A 1 161 ILE 161 162 162 ILE ILE AAA . n 
A 1 162 GLY 162 163 163 GLY GLY AAA . n 
A 1 163 GLY 163 164 164 GLY GLY AAA . n 
A 1 164 ASN 164 165 165 ASN ASN AAA . n 
A 1 165 GLY 165 166 166 GLY GLY AAA . n 
A 1 166 ARG 166 167 167 ARG ARG AAA . n 
A 1 167 GLN 167 168 168 GLN GLN AAA . n 
A 1 168 GLY 168 169 169 GLY GLY AAA . n 
A 1 169 PHE 169 170 170 PHE PHE AAA . n 
A 1 170 CYS 170 171 171 CYS CYS AAA . n 
A 1 171 ALA 171 172 172 ALA ALA AAA . n 
A 1 172 ALA 172 173 173 ALA ALA AAA . n 
A 1 173 LEU 173 174 174 LEU LEU AAA . n 
A 1 174 LYS 174 175 175 LYS LYS AAA . n 
A 1 175 ARG 175 176 176 ARG ARG AAA . n 
A 1 176 GLY 176 177 177 GLY GLY AAA . n 
A 1 177 TYR 177 178 178 TYR TYR AAA . n 
A 1 178 PHE 178 179 179 PHE PHE AAA . n 
A 1 179 CYS 179 180 180 CYS CYS AAA . n 
A 1 180 SER 180 181 181 SER SER AAA . n 
A 1 181 GLU 181 182 182 GLU GLU AAA . n 
A 1 182 GLN 182 183 183 GLN GLN AAA . n 
# 
_pdbx_entity_instance_feature.ordinal        1 
_pdbx_entity_instance_feature.comp_id        I70 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   I70 
_pdbx_entity_instance_feature.auth_asym_id   ? 
_pdbx_entity_instance_feature.auth_seq_num   ? 
_pdbx_entity_instance_feature.feature_type   'SUBJECT OF INVESTIGATION' 
_pdbx_entity_instance_feature.details        ? 
# 
loop_
_pdbx_nonpoly_scheme.asym_id 
_pdbx_nonpoly_scheme.entity_id 
_pdbx_nonpoly_scheme.mon_id 
_pdbx_nonpoly_scheme.ndb_seq_num 
_pdbx_nonpoly_scheme.pdb_seq_num 
_pdbx_nonpoly_scheme.auth_seq_num 
_pdbx_nonpoly_scheme.pdb_mon_id 
_pdbx_nonpoly_scheme.auth_mon_id 
_pdbx_nonpoly_scheme.pdb_strand_id 
_pdbx_nonpoly_scheme.pdb_ins_code 
B 2 I70 1  201 201 I70 LIG AAA . 
C 3 NA  1  202 1   NA  NA  AAA . 
D 4 HOH 1  301 6   HOH HOH AAA . 
D 4 HOH 2  302 107 HOH HOH AAA . 
D 4 HOH 3  303 42  HOH HOH AAA . 
D 4 HOH 4  304 11  HOH HOH AAA . 
D 4 HOH 5  305 25  HOH HOH AAA . 
D 4 HOH 6  306 3   HOH HOH AAA . 
D 4 HOH 7  307 74  HOH HOH AAA . 
D 4 HOH 8  308 4   HOH HOH AAA . 
D 4 HOH 9  309 47  HOH HOH AAA . 
D 4 HOH 10 310 14  HOH HOH AAA . 
D 4 HOH 11 311 105 HOH HOH AAA . 
D 4 HOH 12 312 69  HOH HOH AAA . 
D 4 HOH 13 313 41  HOH HOH AAA . 
D 4 HOH 14 314 9   HOH HOH AAA . 
D 4 HOH 15 315 97  HOH HOH AAA . 
D 4 HOH 16 316 1   HOH HOH AAA . 
D 4 HOH 17 317 5   HOH HOH AAA . 
D 4 HOH 18 318 112 HOH HOH AAA . 
D 4 HOH 19 319 7   HOH HOH AAA . 
D 4 HOH 20 320 68  HOH HOH AAA . 
D 4 HOH 21 321 73  HOH HOH AAA . 
D 4 HOH 22 322 98  HOH HOH AAA . 
D 4 HOH 23 323 13  HOH HOH AAA . 
D 4 HOH 24 324 15  HOH HOH AAA . 
D 4 HOH 25 325 2   HOH HOH AAA . 
D 4 HOH 26 326 32  HOH HOH AAA . 
D 4 HOH 27 327 39  HOH HOH AAA . 
D 4 HOH 28 328 95  HOH HOH AAA . 
D 4 HOH 29 329 26  HOH HOH AAA . 
D 4 HOH 30 330 17  HOH HOH AAA . 
D 4 HOH 31 331 31  HOH HOH AAA . 
D 4 HOH 32 332 92  HOH HOH AAA . 
D 4 HOH 33 333 101 HOH HOH AAA . 
D 4 HOH 34 334 27  HOH HOH AAA . 
D 4 HOH 35 335 78  HOH HOH AAA . 
D 4 HOH 36 336 99  HOH HOH AAA . 
D 4 HOH 37 337 44  HOH HOH AAA . 
D 4 HOH 38 338 20  HOH HOH AAA . 
D 4 HOH 39 339 40  HOH HOH AAA . 
D 4 HOH 40 340 110 HOH HOH AAA . 
D 4 HOH 41 341 58  HOH HOH AAA . 
D 4 HOH 42 342 33  HOH HOH AAA . 
D 4 HOH 43 343 114 HOH HOH AAA . 
D 4 HOH 44 344 46  HOH HOH AAA . 
D 4 HOH 45 345 70  HOH HOH AAA . 
D 4 HOH 46 346 102 HOH HOH AAA . 
D 4 HOH 47 347 56  HOH HOH AAA . 
D 4 HOH 48 348 113 HOH HOH AAA . 
D 4 HOH 49 349 109 HOH HOH AAA . 
D 4 HOH 50 350 86  HOH HOH AAA . 
D 4 HOH 51 351 106 HOH HOH AAA . 
D 4 HOH 52 352 108 HOH HOH AAA . 
# 
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       ? ? ? ? ? ? ? ? ? ? ? REFMAC ? ? ? 5.8.0267 1 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? XDS    ? ? ? .        2 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? XSCALE ? ? ? .        3 
? phasing          ? ? ? ? ? ? ? ? ? ? ? REFMAC ? ? ? .        4 
# 
_cell.angle_alpha                  90.000 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   90.000 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  90.000 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     7QUB 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     122.336 
_cell.length_a_esd                 ? 
_cell.length_b                     122.336 
_cell.length_b_esd                 ? 
_cell.length_c                     122.336 
_cell.length_c_esd                 ? 
_cell.volume                       ? 
_cell.volume_esd                   ? 
_cell.Z_PDB                        24 
_cell.reciprocal_angle_alpha       ? 
_cell.reciprocal_angle_beta        ? 
_cell.reciprocal_angle_gamma       ? 
_cell.reciprocal_angle_alpha_esd   ? 
_cell.reciprocal_angle_beta_esd    ? 
_cell.reciprocal_angle_gamma_esd   ? 
_cell.reciprocal_length_a          ? 
_cell.reciprocal_length_b          ? 
_cell.reciprocal_length_c          ? 
_cell.reciprocal_length_a_esd      ? 
_cell.reciprocal_length_b_esd      ? 
_cell.reciprocal_length_c_esd      ? 
_cell.pdbx_unique_axis             ? 
# 
_symmetry.entry_id                         7QUB 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                207 
_symmetry.space_group_name_Hall            ? 
_symmetry.space_group_name_H-M             'P 4 3 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                   7QUB 
_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            3.84 
_exptl_crystal.density_method              ? 
_exptl_crystal.density_percent_sol         67.97 
_exptl_crystal.description                 ? 
_exptl_crystal.F_000                       ? 
_exptl_crystal.id                          1 
_exptl_crystal.preparation                 ? 
_exptl_crystal.size_max                    ? 
_exptl_crystal.size_mid                    ? 
_exptl_crystal.size_min                    ? 
_exptl_crystal.size_rad                    ? 
_exptl_crystal.colour_lustre               ? 
_exptl_crystal.colour_modifier             ? 
_exptl_crystal.colour_primary              ? 
_exptl_crystal.density_meas                ? 
_exptl_crystal.density_meas_esd            ? 
_exptl_crystal.density_meas_gt             ? 
_exptl_crystal.density_meas_lt             ? 
_exptl_crystal.density_meas_temp           ? 
_exptl_crystal.density_meas_temp_esd       ? 
_exptl_crystal.density_meas_temp_gt        ? 
_exptl_crystal.density_meas_temp_lt        ? 
_exptl_crystal.pdbx_crystal_image_url      ? 
_exptl_crystal.pdbx_crystal_image_format   ? 
_exptl_crystal.pdbx_mosaicity              ? 
_exptl_crystal.pdbx_mosaicity_esd          ? 
# 
_exptl_crystal_grow.apparatus       ? 
_exptl_crystal_grow.atmosphere      ? 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.details         ? 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, SITTING DROP' 
_exptl_crystal_grow.method_ref      ? 
_exptl_crystal_grow.pH              7.0 
_exptl_crystal_grow.pressure        ? 
_exptl_crystal_grow.pressure_esd    ? 
_exptl_crystal_grow.seeding         ? 
_exptl_crystal_grow.seeding_ref     ? 
_exptl_crystal_grow.temp            285.15 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.temp_esd        ? 
_exptl_crystal_grow.time            ? 
_exptl_crystal_grow.pdbx_details    '0.1 M Tris-HCl pH 7.0 + 34% PEG 3350 + 200mM NaCl' 
_exptl_crystal_grow.pdbx_pH_range   ? 
# 
_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 EIGER X 16M' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2021-06-22 
_diffrn_detector.pdbx_frequency               ? 
# 
_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   1.0332 
_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                        'PETRA III, DESY BEAMLINE P11' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        1.0332 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   P11 
_diffrn_source.pdbx_synchrotron_site       'PETRA III, DESY' 
# 
_reflns.B_iso_Wilson_estimate                          ? 
_reflns.entry_id                                       7QUB 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              2.07 
_reflns.d_resolution_low                               43.25 
_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                                     19792 
_reflns.observed_criterion                             ? 
_reflns.observed_criterion_F_max                       ? 
_reflns.observed_criterion_F_min                       ? 
_reflns.observed_criterion_I_max                       ? 
_reflns.observed_criterion_I_min                       ? 
_reflns.observed_criterion_sigma_F                     ? 
_reflns.observed_criterion_sigma_I                     ? 
_reflns.percent_possible_obs                           99.9 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                38 
_reflns.pdbx_Rmerge_I_obs                              0.043 
_reflns.pdbx_Rmerge_I_all                              ? 
_reflns.pdbx_Rsym_value                                ? 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          16.4 
_reflns.pdbx_res_netI_over_av_sigmaI_2                 ? 
_reflns.pdbx_res_netI_over_sigmaI_2                    ? 
_reflns.pdbx_chi_squared                               ? 
_reflns.pdbx_scaling_rejects                           ? 
_reflns.pdbx_d_res_high_opt                            ? 
_reflns.pdbx_d_res_low_opt                             ? 
_reflns.pdbx_d_res_opt_method                          ? 
_reflns.phase_calculation_details                      ? 
_reflns.pdbx_Rrim_I_all                                ? 
_reflns.pdbx_Rpim_I_all                                ? 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       ? 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   0.999 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_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                                    2.07 
_reflns_shell.d_res_low                                     2.19 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           ? 
_reflns_shell.number_measured_all                           ? 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             6525 
_reflns_shell.percent_possible_all                          ? 
_reflns_shell.percent_possible_obs                          ? 
_reflns_shell.Rmerge_F_all                                  ? 
_reflns_shell.Rmerge_F_obs                                  ? 
_reflns_shell.Rmerge_I_all                                  ? 
_reflns_shell.Rmerge_I_obs                                  ? 
_reflns_shell.meanI_over_sigI_gt                            ? 
_reflns_shell.meanI_over_uI_all                             ? 
_reflns_shell.meanI_over_uI_gt                              ? 
_reflns_shell.number_measured_gt                            ? 
_reflns_shell.number_unique_gt                              ? 
_reflns_shell.percent_possible_gt                           ? 
_reflns_shell.Rmerge_F_gt                                   ? 
_reflns_shell.Rmerge_I_gt                                   ? 
_reflns_shell.pdbx_redundancy                               ? 
_reflns_shell.pdbx_Rsym_value                               ? 
_reflns_shell.pdbx_chi_squared                              ? 
_reflns_shell.pdbx_netI_over_sigmaI_all                     ? 
_reflns_shell.pdbx_netI_over_sigmaI_obs                     ? 
_reflns_shell.pdbx_Rrim_I_all                               ? 
_reflns_shell.pdbx_Rpim_I_all                               ? 
_reflns_shell.pdbx_rejects                                  ? 
_reflns_shell.pdbx_ordinal                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  0.522 
_reflns_shell.pdbx_CC_star                                  ? 
_reflns_shell.pdbx_R_split                                  ? 
_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]                            0.000 
_refine.aniso_B[1][2]                            0.000 
_refine.aniso_B[1][3]                            0.000 
_refine.aniso_B[2][2]                            0.000 
_refine.aniso_B[2][3]                            0.000 
_refine.aniso_B[3][3]                            0.000 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               42.621 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               0.967 
_refine.correlation_coeff_Fo_to_Fc_free          0.953 
_refine.details                                  'Hydrogens have been added in their riding positions' 
_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                                 7QUB 
_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                            2.07 
_refine.ls_d_res_low                             43.25 
_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                     18797 
_refine.ls_number_reflns_R_free                  993 
_refine.ls_number_reflns_R_work                  18797 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.949 
_refine.ls_percent_reflns_R_free                 5.018 
_refine.ls_R_factor_all                          0.193 
_refine.ls_R_factor_obs                          ? 
_refine.ls_R_factor_R_free                       0.2188 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.1915 
_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                    'MASK BULK SOLVENT' 
_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                          ? 
_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                      4ghk 
_refine.pdbx_stereochemistry_target_values       ? 
_refine.pdbx_R_Free_selection_details            ? 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_overall_ESU_R                       0.138 
_refine.pdbx_overall_ESU_R_Free                  0.130 
_refine.pdbx_solvent_vdw_probe_radii             1.200 
_refine.pdbx_solvent_ion_probe_radii             0.800 
_refine.pdbx_solvent_shrinkage_radii             0.800 
_refine.pdbx_real_space_R                        ? 
_refine.pdbx_density_correlation                 ? 
_refine.pdbx_pd_number_of_powder_patterns        ? 
_refine.pdbx_pd_number_of_points                 ? 
_refine.pdbx_pd_meas_number_of_points            ? 
_refine.pdbx_pd_proc_ls_prof_R_factor            ? 
_refine.pdbx_pd_proc_ls_prof_wR_factor           ? 
_refine.pdbx_pd_Marquardt_correlation_coeff      ? 
_refine.pdbx_pd_Fsqrd_R_factor                   ? 
_refine.pdbx_pd_ls_matrix_band_width             ? 
_refine.pdbx_overall_phase_error                 ? 
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI   ? 
_refine.pdbx_overall_SU_R_free_Blow_DPI          ? 
_refine.pdbx_overall_SU_R_Blow_DPI               ? 
_refine.pdbx_TLS_residual_ADP_flag               ? 
_refine.pdbx_diffrn_id                           1 
_refine.overall_SU_B                             4.526 
_refine.overall_SU_ML                            0.112 
_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                       2.07 
_refine_hist.d_res_low                        43.25 
_refine_hist.number_atoms_solvent             52 
_refine_hist.number_atoms_total               1505 
_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        1413 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         40 
_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' ? 0.012  0.013  1484 ? r_bond_refined_d               ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.015  1437 ? r_bond_other_d                 ? ? 
'X-RAY DIFFRACTION' ? 1.830  1.654  2019 ? r_angle_refined_deg            ? ? 
'X-RAY DIFFRACTION' ? 1.336  1.579  3294 ? r_angle_other_deg              ? ? 
'X-RAY DIFFRACTION' ? 7.106  5.000  181  ? r_dihedral_angle_1_deg         ? ? 
'X-RAY DIFFRACTION' ? 31.103 20.750 80   ? r_dihedral_angle_2_deg         ? ? 
'X-RAY DIFFRACTION' ? 17.575 15.000 244  ? r_dihedral_angle_3_deg         ? ? 
'X-RAY DIFFRACTION' ? 2.370  15.000 1    ? r_dihedral_angle_other_3_deg   ? ? 
'X-RAY DIFFRACTION' ? 18.272 15.000 11   ? r_dihedral_angle_4_deg         ? ? 
'X-RAY DIFFRACTION' ? 0.079  0.200  199  ? r_chiral_restr                 ? ? 
'X-RAY DIFFRACTION' ? 0.009  0.020  1669 ? r_gen_planes_refined           ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.020  341  ? r_gen_planes_other             ? ? 
'X-RAY DIFFRACTION' ? 0.231  0.200  269  ? r_nbd_refined                  ? ? 
'X-RAY DIFFRACTION' ? 0.188  0.200  1455 ? r_symmetry_nbd_other           ? ? 
'X-RAY DIFFRACTION' ? 0.165  0.200  736  ? r_nbtor_refined                ? ? 
'X-RAY DIFFRACTION' ? 0.085  0.200  811  ? r_symmetry_nbtor_other         ? ? 
'X-RAY DIFFRACTION' ? 0.124  0.200  50   ? r_xyhbond_nbd_refined          ? ? 
'X-RAY DIFFRACTION' ? 0.165  0.200  6    ? r_symmetry_nbd_refined         ? ? 
'X-RAY DIFFRACTION' ? 0.146  0.200  24   ? r_nbd_other                    ? ? 
'X-RAY DIFFRACTION' ? 0.068  0.200  4    ? r_symmetry_xyhbond_nbd_refined ? ? 
'X-RAY DIFFRACTION' ? 3.468  4.130  727  ? r_mcbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 3.460  4.127  726  ? r_mcbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 4.674  6.183  907  ? r_mcangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 4.675  6.188  908  ? r_mcangle_other                ? ? 
'X-RAY DIFFRACTION' ? 5.736  4.787  757  ? r_scbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 5.732  4.786  758  ? r_scbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 7.968  6.920  1109 ? r_scangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 7.964  6.919  1110 ? r_scangle_other                ? ? 
'X-RAY DIFFRACTION' ? 9.497  49.366 1535 ? r_lrange_it                    ? ? 
'X-RAY DIFFRACTION' ? 9.483  49.304 1531 ? r_lrange_other                 ? ? 
# 
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 
_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 
'X-RAY DIFFRACTION' 2.07  2.120 . . 66 1350 99.9294  . . . 0.313 . 0.317 . . . . . . . . . . . 
'X-RAY DIFFRACTION' 2.120 2.178 . . 76 1301 100.0000 . . . 0.364 . 0.309 . . . . . . . . . . . 
'X-RAY DIFFRACTION' 2.178 2.241 . . 68 1293 99.9266  . . . 0.308 . 0.284 . . . . . . . . . . . 
'X-RAY DIFFRACTION' 2.241 2.310 . . 64 1256 100.0000 . . . 0.241 . 0.255 . . . . . . . . . . . 
'X-RAY DIFFRACTION' 2.310 2.386 . . 63 1213 100.0000 . . . 0.248 . 0.239 . . . . . . . . . . . 
'X-RAY DIFFRACTION' 2.386 2.470 . . 56 1182 100.0000 . . . 0.267 . 0.248 . . . . . . . . . . . 
'X-RAY DIFFRACTION' 2.470 2.563 . . 60 1138 100.0000 . . . 0.255 . 0.233 . . . . . . . . . . . 
'X-RAY DIFFRACTION' 2.563 2.667 . . 54 1113 100.0000 . . . 0.316 . 0.239 . . . . . . . . . . . 
'X-RAY DIFFRACTION' 2.667 2.786 . . 41 1073 100.0000 . . . 0.255 . 0.235 . . . . . . . . . . . 
'X-RAY DIFFRACTION' 2.786 2.922 . . 57 1011 100.0000 . . . 0.260 . 0.212 . . . . . . . . . . . 
'X-RAY DIFFRACTION' 2.922 3.080 . . 48 970  100.0000 . . . 0.198 . 0.200 . . . . . . . . . . . 
'X-RAY DIFFRACTION' 3.080 3.267 . . 66 905  100.0000 . . . 0.201 . 0.183 . . . . . . . . . . . 
'X-RAY DIFFRACTION' 3.267 3.492 . . 42 872  100.0000 . . . 0.216 . 0.174 . . . . . . . . . . . 
'X-RAY DIFFRACTION' 3.492 3.771 . . 41 818  100.0000 . . . 0.168 . 0.164 . . . . . . . . . . . 
'X-RAY DIFFRACTION' 3.771 4.131 . . 50 749  100.0000 . . . 0.173 . 0.159 . . . . . . . . . . . 
'X-RAY DIFFRACTION' 4.131 4.618 . . 42 686  100.0000 . . . 0.165 . 0.134 . . . . . . . . . . . 
'X-RAY DIFFRACTION' 4.618 5.331 . . 36 621  100.0000 . . . 0.212 . 0.151 . . . . . . . . . . . 
'X-RAY DIFFRACTION' 5.331 6.526 . . 26 541  100.0000 . . . 0.266 . 0.177 . . . . . . . . . . . 
'X-RAY DIFFRACTION' 6.526 9.216 . . 23 433  99.7812  . . . 0.184 . 0.147 . . . . . . . . . . . 
'X-RAY DIFFRACTION' 9.216 43.25 . . 15 275  97.6431  . . . 0.213 . 0.206 . . . . . . . . . . . 
# 
_struct.entry_id                     7QUB 
_struct.title                        'EV-A71-3Cpro in complex with inhibitor MG78' 
_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        7QUB 
_struct_keywords.text            'Inhibitor complex, SARS-COV2, VIRAL PROTEIN' 
_struct_keywords.pdbx_keywords   'VIRAL PROTEIN' 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 2 ? 
C N N 3 ? 
D N N 4 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    A8JKF9_HE71 
_struct_ref.pdbx_db_accession          A8JKF9 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;PSLDFALSLLRRNIRQVQTDQGHFTMLGVRDHLAVLPRHSQPGKTIWVEHKLVRIVDAVELVDEQGVNLELTLVTLDTNE
KFRDITKFIPETISPASDATLVINTEHMPSMFVPVGDVVQYGFLNLSGKPTHRTMMYNFPTKAGQCGGVVTAVGKVIGIH
IGGNGRQGFCAALKRGYFCSEQ
;
_struct_ref.pdbx_align_begin           1550 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              7QUB 
_struct_ref_seq.pdbx_strand_id                AAA 
_struct_ref_seq.seq_align_beg                 1 
_struct_ref_seq.pdbx_seq_align_beg_ins_code   ? 
_struct_ref_seq.seq_align_end                 182 
_struct_ref_seq.pdbx_seq_align_end_ins_code   ? 
_struct_ref_seq.pdbx_db_accession             A8JKF9 
_struct_ref_seq.db_align_beg                  1550 
_struct_ref_seq.pdbx_db_align_beg_ins_code    ? 
_struct_ref_seq.db_align_end                  1731 
_struct_ref_seq.pdbx_db_align_end_ins_code    ? 
_struct_ref_seq.pdbx_auth_seq_align_beg       2 
_struct_ref_seq.pdbx_auth_seq_align_end       183 
# 
_struct_ref_seq_dif.align_id                     1 
_struct_ref_seq_dif.pdbx_pdb_id_code             7QUB 
_struct_ref_seq_dif.mon_id                       ARG 
_struct_ref_seq_dif.pdbx_pdb_strand_id           AAA 
_struct_ref_seq_dif.seq_num                      87 
_struct_ref_seq_dif.pdbx_pdb_ins_code            ? 
_struct_ref_seq_dif.pdbx_seq_db_name             UNP 
_struct_ref_seq_dif.pdbx_seq_db_accession_code   A8JKF9 
_struct_ref_seq_dif.db_mon_id                    LYS 
_struct_ref_seq_dif.pdbx_seq_db_seq_num          1636 
_struct_ref_seq_dif.details                      conflict 
_struct_ref_seq_dif.pdbx_auth_seq_num            88 
_struct_ref_seq_dif.pdbx_ordinal                 1 
# 
_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   monomeric 
_pdbx_struct_assembly.oligomeric_count     1 
# 
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)' 0    ? 
1 MORE         0    ? 
1 'SSA (A^2)'  8970 ? 
# 
_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 
# 
_pdbx_struct_assembly_auth_evidence.id                     1 
_pdbx_struct_assembly_auth_evidence.assembly_id            1 
_pdbx_struct_assembly_auth_evidence.experimental_support   none 
_pdbx_struct_assembly_auth_evidence.details                ? 
# 
_pdbx_struct_oper_list.id                   1 
_pdbx_struct_oper_list.type                 'identity operation' 
_pdbx_struct_oper_list.name                 1_555 
_pdbx_struct_oper_list.symmetry_operation   x,y,z 
_pdbx_struct_oper_list.matrix[1][1]         1.0000000000 
_pdbx_struct_oper_list.matrix[1][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[1][3]         0.0000000000 
_pdbx_struct_oper_list.vector[1]            0.0000000000 
_pdbx_struct_oper_list.matrix[2][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[2][2]         1.0000000000 
_pdbx_struct_oper_list.matrix[2][3]         0.0000000000 
_pdbx_struct_oper_list.vector[2]            0.0000000000 
_pdbx_struct_oper_list.matrix[3][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][3]         1.0000000000 
_pdbx_struct_oper_list.vector[3]            0.0000000000 
# 
loop_
_struct_conf.conf_type_id 
_struct_conf.id 
_struct_conf.pdbx_PDB_helix_id 
_struct_conf.beg_label_comp_id 
_struct_conf.beg_label_asym_id 
_struct_conf.beg_label_seq_id 
_struct_conf.pdbx_beg_PDB_ins_code 
_struct_conf.end_label_comp_id 
_struct_conf.end_label_asym_id 
_struct_conf.end_label_seq_id 
_struct_conf.pdbx_end_PDB_ins_code 
_struct_conf.beg_auth_comp_id 
_struct_conf.beg_auth_asym_id 
_struct_conf.beg_auth_seq_id 
_struct_conf.end_auth_comp_id 
_struct_conf.end_auth_asym_id 
_struct_conf.end_auth_seq_id 
_struct_conf.pdbx_PDB_helix_class 
_struct_conf.details 
_struct_conf.pdbx_PDB_helix_length 
HELX_P HELX_P1 AA1 PRO A 1   ? ASN A 13  ? PRO AAA 2   ASN AAA 14  1 ? 13 
HELX_P HELX_P2 AA2 HIS A 39  ? GLN A 41  ? HIS AAA 40  GLN AAA 42  5 ? 3  
HELX_P HELX_P3 AA3 ILE A 85  ? ILE A 89  ? ILE AAA 86  ILE AAA 90  5 ? 5  
HELX_P HELX_P4 AA4 LYS A 174 ? CYS A 179 ? LYS AAA 175 CYS AAA 180 5 ? 6  
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
loop_
_struct_conn.id 
_struct_conn.conn_type_id 
_struct_conn.pdbx_leaving_atom_flag 
_struct_conn.pdbx_PDB_id 
_struct_conn.ptnr1_label_asym_id 
_struct_conn.ptnr1_label_comp_id 
_struct_conn.ptnr1_label_seq_id 
_struct_conn.ptnr1_label_atom_id 
_struct_conn.pdbx_ptnr1_label_alt_id 
_struct_conn.pdbx_ptnr1_PDB_ins_code 
_struct_conn.pdbx_ptnr1_standard_comp_id 
_struct_conn.ptnr1_symmetry 
_struct_conn.ptnr2_label_asym_id 
_struct_conn.ptnr2_label_comp_id 
_struct_conn.ptnr2_label_seq_id 
_struct_conn.ptnr2_label_atom_id 
_struct_conn.pdbx_ptnr2_label_alt_id 
_struct_conn.pdbx_ptnr2_PDB_ins_code 
_struct_conn.ptnr1_auth_asym_id 
_struct_conn.ptnr1_auth_comp_id 
_struct_conn.ptnr1_auth_seq_id 
_struct_conn.ptnr2_auth_asym_id 
_struct_conn.ptnr2_auth_comp_id 
_struct_conn.ptnr2_auth_seq_id 
_struct_conn.ptnr2_symmetry 
_struct_conn.pdbx_ptnr3_label_atom_id 
_struct_conn.pdbx_ptnr3_label_seq_id 
_struct_conn.pdbx_ptnr3_label_comp_id 
_struct_conn.pdbx_ptnr3_label_asym_id 
_struct_conn.pdbx_ptnr3_label_alt_id 
_struct_conn.pdbx_ptnr3_PDB_ins_code 
_struct_conn.details 
_struct_conn.pdbx_dist_value 
_struct_conn.pdbx_value_order 
_struct_conn.pdbx_role 
covale1 covale one ? A CYS 146 SG  ? ? ? 1_555 B I70 . C8 ? ? AAA CYS 147 AAA I70 201 1_555 ? ? ? ? ? ? ? 1.877 ? ? 
metalc1 metalc ?   ? A THR 25  OG1 ? ? ? 1_555 C NA  . NA ? ? AAA THR 26  AAA NA  202 1_555 ? ? ? ? ? ? ? 2.658 ? ? 
metalc2 metalc ?   ? A GLY 144 O   ? ? ? 1_555 C NA  . NA ? ? AAA GLY 145 AAA NA  202 1_555 ? ? ? ? ? ? ? 3.014 ? ? 
metalc3 metalc ?   ? A CYS 146 O   ? ? ? 1_555 C NA  . NA ? ? AAA CYS 147 AAA NA  202 1_555 ? ? ? ? ? ? ? 2.595 ? ? 
# 
loop_
_struct_conn_type.id 
_struct_conn_type.criteria 
_struct_conn_type.reference 
covale ? ? 
metalc ? ? 
# 
loop_
_pdbx_struct_conn_angle.id 
_pdbx_struct_conn_angle.ptnr1_label_atom_id 
_pdbx_struct_conn_angle.ptnr1_label_alt_id 
_pdbx_struct_conn_angle.ptnr1_label_asym_id 
_pdbx_struct_conn_angle.ptnr1_label_comp_id 
_pdbx_struct_conn_angle.ptnr1_label_seq_id 
_pdbx_struct_conn_angle.ptnr1_auth_atom_id 
_pdbx_struct_conn_angle.ptnr1_auth_asym_id 
_pdbx_struct_conn_angle.ptnr1_auth_comp_id 
_pdbx_struct_conn_angle.ptnr1_auth_seq_id 
_pdbx_struct_conn_angle.ptnr1_PDB_ins_code 
_pdbx_struct_conn_angle.ptnr1_symmetry 
_pdbx_struct_conn_angle.ptnr2_label_atom_id 
_pdbx_struct_conn_angle.ptnr2_label_alt_id 
_pdbx_struct_conn_angle.ptnr2_label_asym_id 
_pdbx_struct_conn_angle.ptnr2_label_comp_id 
_pdbx_struct_conn_angle.ptnr2_label_seq_id 
_pdbx_struct_conn_angle.ptnr2_auth_atom_id 
_pdbx_struct_conn_angle.ptnr2_auth_asym_id 
_pdbx_struct_conn_angle.ptnr2_auth_comp_id 
_pdbx_struct_conn_angle.ptnr2_auth_seq_id 
_pdbx_struct_conn_angle.ptnr2_PDB_ins_code 
_pdbx_struct_conn_angle.ptnr2_symmetry 
_pdbx_struct_conn_angle.ptnr3_label_atom_id 
_pdbx_struct_conn_angle.ptnr3_label_alt_id 
_pdbx_struct_conn_angle.ptnr3_label_asym_id 
_pdbx_struct_conn_angle.ptnr3_label_comp_id 
_pdbx_struct_conn_angle.ptnr3_label_seq_id 
_pdbx_struct_conn_angle.ptnr3_auth_atom_id 
_pdbx_struct_conn_angle.ptnr3_auth_asym_id 
_pdbx_struct_conn_angle.ptnr3_auth_comp_id 
_pdbx_struct_conn_angle.ptnr3_auth_seq_id 
_pdbx_struct_conn_angle.ptnr3_PDB_ins_code 
_pdbx_struct_conn_angle.ptnr3_symmetry 
_pdbx_struct_conn_angle.value 
_pdbx_struct_conn_angle.value_esd 
1 OG1 ? A THR 25  ? AAA THR 26  ? 1_555 NA ? C NA . ? AAA NA 202 ? 1_555 O ? A GLY 144 ? AAA GLY 145 ? 1_555 131.9 ? 
2 OG1 ? A THR 25  ? AAA THR 26  ? 1_555 NA ? C NA . ? AAA NA 202 ? 1_555 O ? A CYS 146 ? AAA CYS 147 ? 1_555 103.7 ? 
3 O   ? A GLY 144 ? AAA GLY 145 ? 1_555 NA ? C NA . ? AAA NA 202 ? 1_555 O ? A CYS 146 ? AAA CYS 147 ? 1_555 118.3 ? 
# 
_pdbx_modification_feature.ordinal                            1 
_pdbx_modification_feature.label_comp_id                      I70 
_pdbx_modification_feature.label_asym_id                      B 
_pdbx_modification_feature.label_seq_id                       . 
_pdbx_modification_feature.label_alt_id                       ? 
_pdbx_modification_feature.modified_residue_label_comp_id     CYS 
_pdbx_modification_feature.modified_residue_label_asym_id     A 
_pdbx_modification_feature.modified_residue_label_seq_id      146 
_pdbx_modification_feature.modified_residue_label_alt_id      ? 
_pdbx_modification_feature.auth_comp_id                       I70 
_pdbx_modification_feature.auth_asym_id                       AAA 
_pdbx_modification_feature.auth_seq_id                        201 
_pdbx_modification_feature.PDB_ins_code                       ? 
_pdbx_modification_feature.symmetry                           1_555 
_pdbx_modification_feature.modified_residue_auth_comp_id      CYS 
_pdbx_modification_feature.modified_residue_auth_asym_id      AAA 
_pdbx_modification_feature.modified_residue_auth_seq_id       147 
_pdbx_modification_feature.modified_residue_PDB_ins_code      ? 
_pdbx_modification_feature.modified_residue_symmetry          1_555 
_pdbx_modification_feature.comp_id_linking_atom               C8 
_pdbx_modification_feature.modified_residue_id_linking_atom   SG 
_pdbx_modification_feature.modified_residue_id                CYS 
_pdbx_modification_feature.ref_pcm_id                         1 
_pdbx_modification_feature.ref_comp_id                        I70 
_pdbx_modification_feature.type                               None 
_pdbx_modification_feature.category                           'Covalent chemical modification' 
# 
loop_
_struct_sheet.id 
_struct_sheet.type 
_struct_sheet.number_strands 
_struct_sheet.details 
AA1 ? 7 ? 
AA2 ? 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 
# 
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 ILE A 14  ? THR A 19  ? ILE AAA 15  THR AAA 20  
AA1 2 GLY A 22  ? ARG A 30  ? GLY AAA 23  ARG AAA 31  
AA1 3 LEU A 33  ? PRO A 37  ? LEU AAA 34  PRO AAA 38  
AA1 4 ASN A 68  ? LEU A 76  ? ASN AAA 69  LEU AAA 77  
AA1 5 LYS A 51  ? VAL A 62  ? LYS AAA 52  VAL AAA 63  
AA1 6 THR A 45  ? VAL A 48  ? THR AAA 46  VAL AAA 49  
AA1 7 ILE A 14  ? THR A 19  ? ILE AAA 15  THR AAA 20  
AA2 1 ALA A 96  ? ILE A 103 ? ALA AAA 97  ILE AAA 104 
AA2 2 MET A 111 ? LEU A 126 ? MET AAA 112 LEU AAA 127 
AA2 3 LYS A 129 ? TYR A 137 ? LYS AAA 130 TYR AAA 138 
AA2 4 GLY A 168 ? ALA A 172 ? GLY AAA 169 ALA AAA 173 
AA2 5 LYS A 155 ? GLY A 163 ? LYS AAA 156 GLY AAA 164 
AA2 6 VAL A 149 ? ALA A 152 ? VAL AAA 150 ALA AAA 153 
AA2 7 ALA A 96  ? ILE A 103 ? ALA AAA 97  ILE AAA 104 
# 
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 ARG A 15  ? N ARG AAA 16  O MET A 26  ? O MET AAA 27  
AA1 2 3 N ARG A 30  ? N ARG AAA 31  O LEU A 33  ? O LEU AAA 34  
AA1 3 4 N ALA A 34  ? N ALA AAA 35  O VAL A 74  ? O VAL AAA 75  
AA1 4 5 O THR A 75  ? O THR AAA 76  N ASP A 57  ? N ASP AAA 58  
AA1 5 6 O LYS A 51  ? O LYS AAA 52  N VAL A 48  ? N VAL AAA 49  
AA1 6 7 O TRP A 47  ? O TRP AAA 48  N GLN A 18  ? N GLN AAA 19  
AA2 1 2 N LEU A 101 ? N LEU AAA 102 O VAL A 113 ? O VAL AAA 114 
AA2 2 3 N VAL A 119 ? N VAL AAA 120 O MET A 136 ? O MET AAA 137 
AA2 3 4 N TYR A 137 ? N TYR AAA 138 O GLY A 168 ? O GLY AAA 169 
AA2 4 5 O ALA A 171 ? O ALA AAA 172 N ILE A 159 ? N ILE AAA 160 
AA2 5 6 O ILE A 157 ? O ILE AAA 158 N VAL A 150 ? N VAL AAA 151 
AA2 6 7 O VAL A 149 ? O VAL AAA 150 N VAL A 102 ? N VAL AAA 103 
# 
_pdbx_entry_details.entry_id                   7QUB 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.has_ligand_of_interest     Y 
_pdbx_entry_details.has_protein_modification   Y 
# 
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 AAA 32  ? ? 55.52  -127.52 
2 1 SER AAA 111 ? ? -1.29  97.57   
3 1 ALA AAA 144 ? ? -38.82 128.44  
# 
loop_
_pdbx_struct_special_symmetry.id 
_pdbx_struct_special_symmetry.PDB_model_num 
_pdbx_struct_special_symmetry.auth_asym_id 
_pdbx_struct_special_symmetry.auth_comp_id 
_pdbx_struct_special_symmetry.auth_seq_id 
_pdbx_struct_special_symmetry.PDB_ins_code 
_pdbx_struct_special_symmetry.label_asym_id 
_pdbx_struct_special_symmetry.label_comp_id 
_pdbx_struct_special_symmetry.label_seq_id 
1 1 AAA HOH 322 ? D HOH . 
2 1 AAA HOH 335 ? D HOH . 
# 
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 
ALA N    N  N N 1   
ALA CA   C  N S 2   
ALA C    C  N N 3   
ALA O    O  N N 4   
ALA CB   C  N N 5   
ALA OXT  O  N N 6   
ALA H    H  N N 7   
ALA H2   H  N N 8   
ALA HA   H  N N 9   
ALA HB1  H  N N 10  
ALA HB2  H  N N 11  
ALA HB3  H  N N 12  
ALA HXT  H  N N 13  
ARG N    N  N N 14  
ARG CA   C  N S 15  
ARG C    C  N N 16  
ARG O    O  N N 17  
ARG CB   C  N N 18  
ARG CG   C  N N 19  
ARG CD   C  N N 20  
ARG NE   N  N N 21  
ARG CZ   C  N N 22  
ARG NH1  N  N N 23  
ARG NH2  N  N N 24  
ARG OXT  O  N N 25  
ARG H    H  N N 26  
ARG H2   H  N N 27  
ARG HA   H  N N 28  
ARG HB2  H  N N 29  
ARG HB3  H  N N 30  
ARG HG2  H  N N 31  
ARG HG3  H  N N 32  
ARG HD2  H  N N 33  
ARG HD3  H  N N 34  
ARG HE   H  N N 35  
ARG HH11 H  N N 36  
ARG HH12 H  N N 37  
ARG HH21 H  N N 38  
ARG HH22 H  N N 39  
ARG HXT  H  N N 40  
ASN N    N  N N 41  
ASN CA   C  N S 42  
ASN C    C  N N 43  
ASN O    O  N N 44  
ASN CB   C  N N 45  
ASN CG   C  N N 46  
ASN OD1  O  N N 47  
ASN ND2  N  N N 48  
ASN OXT  O  N N 49  
ASN H    H  N N 50  
ASN H2   H  N N 51  
ASN HA   H  N N 52  
ASN HB2  H  N N 53  
ASN HB3  H  N N 54  
ASN HD21 H  N N 55  
ASN HD22 H  N N 56  
ASN HXT  H  N N 57  
ASP N    N  N N 58  
ASP CA   C  N S 59  
ASP C    C  N N 60  
ASP O    O  N N 61  
ASP CB   C  N N 62  
ASP CG   C  N N 63  
ASP OD1  O  N N 64  
ASP OD2  O  N N 65  
ASP OXT  O  N N 66  
ASP H    H  N N 67  
ASP H2   H  N N 68  
ASP HA   H  N N 69  
ASP HB2  H  N N 70  
ASP HB3  H  N N 71  
ASP HD2  H  N N 72  
ASP HXT  H  N N 73  
CYS N    N  N N 74  
CYS CA   C  N R 75  
CYS C    C  N N 76  
CYS O    O  N N 77  
CYS CB   C  N N 78  
CYS SG   S  N N 79  
CYS OXT  O  N N 80  
CYS H    H  N N 81  
CYS H2   H  N N 82  
CYS HA   H  N N 83  
CYS HB2  H  N N 84  
CYS HB3  H  N N 85  
CYS HG   H  N N 86  
CYS HXT  H  N N 87  
GLN N    N  N N 88  
GLN CA   C  N S 89  
GLN C    C  N N 90  
GLN O    O  N N 91  
GLN CB   C  N N 92  
GLN CG   C  N N 93  
GLN CD   C  N N 94  
GLN OE1  O  N N 95  
GLN NE2  N  N N 96  
GLN OXT  O  N N 97  
GLN H    H  N N 98  
GLN H2   H  N N 99  
GLN HA   H  N N 100 
GLN HB2  H  N N 101 
GLN HB3  H  N N 102 
GLN HG2  H  N N 103 
GLN HG3  H  N N 104 
GLN HE21 H  N N 105 
GLN HE22 H  N N 106 
GLN HXT  H  N N 107 
GLU N    N  N N 108 
GLU CA   C  N S 109 
GLU C    C  N N 110 
GLU O    O  N N 111 
GLU CB   C  N N 112 
GLU CG   C  N N 113 
GLU CD   C  N N 114 
GLU OE1  O  N N 115 
GLU OE2  O  N N 116 
GLU OXT  O  N N 117 
GLU H    H  N N 118 
GLU H2   H  N N 119 
GLU HA   H  N N 120 
GLU HB2  H  N N 121 
GLU HB3  H  N N 122 
GLU HG2  H  N N 123 
GLU HG3  H  N N 124 
GLU HE2  H  N N 125 
GLU HXT  H  N N 126 
GLY N    N  N N 127 
GLY CA   C  N N 128 
GLY C    C  N N 129 
GLY O    O  N N 130 
GLY OXT  O  N N 131 
GLY H    H  N N 132 
GLY H2   H  N N 133 
GLY HA2  H  N N 134 
GLY HA3  H  N N 135 
GLY HXT  H  N N 136 
HIS N    N  N N 137 
HIS CA   C  N S 138 
HIS C    C  N N 139 
HIS O    O  N N 140 
HIS CB   C  N N 141 
HIS CG   C  Y N 142 
HIS ND1  N  Y N 143 
HIS CD2  C  Y N 144 
HIS CE1  C  Y N 145 
HIS NE2  N  Y N 146 
HIS OXT  O  N N 147 
HIS H    H  N N 148 
HIS H2   H  N N 149 
HIS HA   H  N N 150 
HIS HB2  H  N N 151 
HIS HB3  H  N N 152 
HIS HD1  H  N N 153 
HIS HD2  H  N N 154 
HIS HE1  H  N N 155 
HIS HE2  H  N N 156 
HIS HXT  H  N N 157 
HOH O    O  N N 158 
HOH H1   H  N N 159 
HOH H2   H  N N 160 
I70 C1   C  N N 161 
I70 C11  C  N S 162 
I70 C12  C  N N 163 
I70 C13  C  N N 164 
I70 C14  C  N S 165 
I70 C15  C  N N 166 
I70 C16  C  N S 167 
I70 C17  C  N S 168 
I70 C18  C  N N 169 
I70 C19  C  N N 170 
I70 C20  C  N S 171 
I70 C21  C  N N 172 
I70 C22  C  N N 173 
I70 C23  C  N N 174 
I70 C24  C  N N 175 
I70 C25  C  N N 176 
I70 C26  C  N N 177 
I70 C27  C  N N 178 
I70 C28  C  N N 179 
I70 C29  C  N N 180 
I70 C30  C  N N 181 
I70 C31  C  N N 182 
I70 C32  C  N N 183 
I70 C34  C  N R 184 
I70 C7   C  N N 185 
I70 C8   C  N R 186 
I70 C9   C  N N 187 
I70 N10  N  N N 188 
I70 N13  N  N N 189 
I70 N16  N  N N 190 
I70 N2   N  N N 191 
I70 N23  N  N N 192 
I70 N8   N  N N 193 
I70 O26  O  N N 194 
I70 O29  O  N N 195 
I70 O33  O  N N 196 
I70 O38  O  N N 197 
I70 O5   O  N N 198 
I70 O9   O  N N 199 
I70 H1   H  N N 200 
I70 H2   H  N N 201 
I70 H3   H  N N 202 
I70 H4   H  N N 203 
I70 H5   H  N N 204 
I70 H6   H  N N 205 
I70 H7   H  N N 206 
I70 H8   H  N N 207 
I70 H9   H  N N 208 
I70 H10  H  N N 209 
I70 H11  H  N N 210 
I70 H12  H  N N 211 
I70 H13  H  N N 212 
I70 H14  H  N N 213 
I70 H15  H  N N 214 
I70 H16  H  N N 215 
I70 H17  H  N N 216 
I70 H18  H  N N 217 
I70 H19  H  N N 218 
I70 H20  H  N N 219 
I70 H21  H  N N 220 
I70 H22  H  N N 221 
I70 H23  H  N N 222 
I70 H24  H  N N 223 
I70 H25  H  N N 224 
I70 H26  H  N N 225 
I70 H27  H  N N 226 
I70 H28  H  N N 227 
I70 H29  H  N N 228 
I70 H30  H  N N 229 
I70 H31  H  N N 230 
I70 H32  H  N N 231 
I70 H33  H  N N 232 
I70 H34  H  N N 233 
I70 H35  H  N N 234 
I70 H36  H  N N 235 
I70 H37  H  N N 236 
I70 H38  H  N N 237 
I70 H39  H  N N 238 
I70 H40  H  N N 239 
I70 H41  H  N N 240 
I70 H42  H  N N 241 
I70 H43  H  N N 242 
I70 H44  H  N N 243 
I70 H45  H  N N 244 
I70 H46  H  N N 245 
ILE N    N  N N 246 
ILE CA   C  N S 247 
ILE C    C  N N 248 
ILE O    O  N N 249 
ILE CB   C  N S 250 
ILE CG1  C  N N 251 
ILE CG2  C  N N 252 
ILE CD1  C  N N 253 
ILE OXT  O  N N 254 
ILE H    H  N N 255 
ILE H2   H  N N 256 
ILE HA   H  N N 257 
ILE HB   H  N N 258 
ILE HG12 H  N N 259 
ILE HG13 H  N N 260 
ILE HG21 H  N N 261 
ILE HG22 H  N N 262 
ILE HG23 H  N N 263 
ILE HD11 H  N N 264 
ILE HD12 H  N N 265 
ILE HD13 H  N N 266 
ILE HXT  H  N N 267 
LEU N    N  N N 268 
LEU CA   C  N S 269 
LEU C    C  N N 270 
LEU O    O  N N 271 
LEU CB   C  N N 272 
LEU CG   C  N N 273 
LEU CD1  C  N N 274 
LEU CD2  C  N N 275 
LEU OXT  O  N N 276 
LEU H    H  N N 277 
LEU H2   H  N N 278 
LEU HA   H  N N 279 
LEU HB2  H  N N 280 
LEU HB3  H  N N 281 
LEU HG   H  N N 282 
LEU HD11 H  N N 283 
LEU HD12 H  N N 284 
LEU HD13 H  N N 285 
LEU HD21 H  N N 286 
LEU HD22 H  N N 287 
LEU HD23 H  N N 288 
LEU HXT  H  N N 289 
LYS N    N  N N 290 
LYS CA   C  N S 291 
LYS C    C  N N 292 
LYS O    O  N N 293 
LYS CB   C  N N 294 
LYS CG   C  N N 295 
LYS CD   C  N N 296 
LYS CE   C  N N 297 
LYS NZ   N  N N 298 
LYS OXT  O  N N 299 
LYS H    H  N N 300 
LYS H2   H  N N 301 
LYS HA   H  N N 302 
LYS HB2  H  N N 303 
LYS HB3  H  N N 304 
LYS HG2  H  N N 305 
LYS HG3  H  N N 306 
LYS HD2  H  N N 307 
LYS HD3  H  N N 308 
LYS HE2  H  N N 309 
LYS HE3  H  N N 310 
LYS HZ1  H  N N 311 
LYS HZ2  H  N N 312 
LYS HZ3  H  N N 313 
LYS HXT  H  N N 314 
MET N    N  N N 315 
MET CA   C  N S 316 
MET C    C  N N 317 
MET O    O  N N 318 
MET CB   C  N N 319 
MET CG   C  N N 320 
MET SD   S  N N 321 
MET CE   C  N N 322 
MET OXT  O  N N 323 
MET H    H  N N 324 
MET H2   H  N N 325 
MET HA   H  N N 326 
MET HB2  H  N N 327 
MET HB3  H  N N 328 
MET HG2  H  N N 329 
MET HG3  H  N N 330 
MET HE1  H  N N 331 
MET HE2  H  N N 332 
MET HE3  H  N N 333 
MET HXT  H  N N 334 
NA  NA   NA N N 335 
PHE N    N  N N 336 
PHE CA   C  N S 337 
PHE C    C  N N 338 
PHE O    O  N N 339 
PHE CB   C  N N 340 
PHE CG   C  Y N 341 
PHE CD1  C  Y N 342 
PHE CD2  C  Y N 343 
PHE CE1  C  Y N 344 
PHE CE2  C  Y N 345 
PHE CZ   C  Y N 346 
PHE OXT  O  N N 347 
PHE H    H  N N 348 
PHE H2   H  N N 349 
PHE HA   H  N N 350 
PHE HB2  H  N N 351 
PHE HB3  H  N N 352 
PHE HD1  H  N N 353 
PHE HD2  H  N N 354 
PHE HE1  H  N N 355 
PHE HE2  H  N N 356 
PHE HZ   H  N N 357 
PHE HXT  H  N N 358 
PRO N    N  N N 359 
PRO CA   C  N S 360 
PRO C    C  N N 361 
PRO O    O  N N 362 
PRO CB   C  N N 363 
PRO CG   C  N N 364 
PRO CD   C  N N 365 
PRO OXT  O  N N 366 
PRO H    H  N N 367 
PRO HA   H  N N 368 
PRO HB2  H  N N 369 
PRO HB3  H  N N 370 
PRO HG2  H  N N 371 
PRO HG3  H  N N 372 
PRO HD2  H  N N 373 
PRO HD3  H  N N 374 
PRO HXT  H  N N 375 
SER N    N  N N 376 
SER CA   C  N S 377 
SER C    C  N N 378 
SER O    O  N N 379 
SER CB   C  N N 380 
SER OG   O  N N 381 
SER OXT  O  N N 382 
SER H    H  N N 383 
SER H2   H  N N 384 
SER HA   H  N N 385 
SER HB2  H  N N 386 
SER HB3  H  N N 387 
SER HG   H  N N 388 
SER HXT  H  N N 389 
THR N    N  N N 390 
THR CA   C  N S 391 
THR C    C  N N 392 
THR O    O  N N 393 
THR CB   C  N R 394 
THR OG1  O  N N 395 
THR CG2  C  N N 396 
THR OXT  O  N N 397 
THR H    H  N N 398 
THR H2   H  N N 399 
THR HA   H  N N 400 
THR HB   H  N N 401 
THR HG1  H  N N 402 
THR HG21 H  N N 403 
THR HG22 H  N N 404 
THR HG23 H  N N 405 
THR HXT  H  N N 406 
TRP N    N  N N 407 
TRP CA   C  N S 408 
TRP C    C  N N 409 
TRP O    O  N N 410 
TRP CB   C  N N 411 
TRP CG   C  Y N 412 
TRP CD1  C  Y N 413 
TRP CD2  C  Y N 414 
TRP NE1  N  Y N 415 
TRP CE2  C  Y N 416 
TRP CE3  C  Y N 417 
TRP CZ2  C  Y N 418 
TRP CZ3  C  Y N 419 
TRP CH2  C  Y N 420 
TRP OXT  O  N N 421 
TRP H    H  N N 422 
TRP H2   H  N N 423 
TRP HA   H  N N 424 
TRP HB2  H  N N 425 
TRP HB3  H  N N 426 
TRP HD1  H  N N 427 
TRP HE1  H  N N 428 
TRP HE3  H  N N 429 
TRP HZ2  H  N N 430 
TRP HZ3  H  N N 431 
TRP HH2  H  N N 432 
TRP HXT  H  N N 433 
TYR N    N  N N 434 
TYR CA   C  N S 435 
TYR C    C  N N 436 
TYR O    O  N N 437 
TYR CB   C  N N 438 
TYR CG   C  Y N 439 
TYR CD1  C  Y N 440 
TYR CD2  C  Y N 441 
TYR CE1  C  Y N 442 
TYR CE2  C  Y N 443 
TYR CZ   C  Y N 444 
TYR OH   O  N N 445 
TYR OXT  O  N N 446 
TYR H    H  N N 447 
TYR H2   H  N N 448 
TYR HA   H  N N 449 
TYR HB2  H  N N 450 
TYR HB3  H  N N 451 
TYR HD1  H  N N 452 
TYR HD2  H  N N 453 
TYR HE1  H  N N 454 
TYR HE2  H  N N 455 
TYR HH   H  N N 456 
TYR HXT  H  N N 457 
VAL N    N  N N 458 
VAL CA   C  N S 459 
VAL C    C  N N 460 
VAL O    O  N N 461 
VAL CB   C  N N 462 
VAL CG1  C  N N 463 
VAL CG2  C  N N 464 
VAL OXT  O  N N 465 
VAL H    H  N N 466 
VAL H2   H  N N 467 
VAL HA   H  N N 468 
VAL HB   H  N N 469 
VAL HG11 H  N N 470 
VAL HG12 H  N N 471 
VAL HG13 H  N N 472 
VAL HG21 H  N N 473 
VAL HG22 H  N N 474 
VAL HG23 H  N N 475 
VAL HXT  H  N N 476 
# 
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 
ALA N   CA   sing N N 1   
ALA N   H    sing N N 2   
ALA N   H2   sing N N 3   
ALA CA  C    sing N N 4   
ALA CA  CB   sing N N 5   
ALA CA  HA   sing N N 6   
ALA C   O    doub N N 7   
ALA C   OXT  sing N N 8   
ALA CB  HB1  sing N N 9   
ALA CB  HB2  sing N N 10  
ALA CB  HB3  sing N N 11  
ALA OXT HXT  sing N N 12  
ARG N   CA   sing N N 13  
ARG N   H    sing N N 14  
ARG N   H2   sing N N 15  
ARG CA  C    sing N N 16  
ARG CA  CB   sing N N 17  
ARG CA  HA   sing N N 18  
ARG C   O    doub N N 19  
ARG C   OXT  sing N N 20  
ARG CB  CG   sing N N 21  
ARG CB  HB2  sing N N 22  
ARG CB  HB3  sing N N 23  
ARG CG  CD   sing N N 24  
ARG CG  HG2  sing N N 25  
ARG CG  HG3  sing N N 26  
ARG CD  NE   sing N N 27  
ARG CD  HD2  sing N N 28  
ARG CD  HD3  sing N N 29  
ARG NE  CZ   sing N N 30  
ARG NE  HE   sing N N 31  
ARG CZ  NH1  sing N N 32  
ARG CZ  NH2  doub N N 33  
ARG NH1 HH11 sing N N 34  
ARG NH1 HH12 sing N N 35  
ARG NH2 HH21 sing N N 36  
ARG NH2 HH22 sing N N 37  
ARG OXT HXT  sing N N 38  
ASN N   CA   sing N N 39  
ASN N   H    sing N N 40  
ASN N   H2   sing N N 41  
ASN CA  C    sing N N 42  
ASN CA  CB   sing N N 43  
ASN CA  HA   sing N N 44  
ASN C   O    doub N N 45  
ASN C   OXT  sing N N 46  
ASN CB  CG   sing N N 47  
ASN CB  HB2  sing N N 48  
ASN CB  HB3  sing N N 49  
ASN CG  OD1  doub N N 50  
ASN CG  ND2  sing N N 51  
ASN ND2 HD21 sing N N 52  
ASN ND2 HD22 sing N N 53  
ASN OXT HXT  sing N N 54  
ASP N   CA   sing N N 55  
ASP N   H    sing N N 56  
ASP N   H2   sing N N 57  
ASP CA  C    sing N N 58  
ASP CA  CB   sing N N 59  
ASP CA  HA   sing N N 60  
ASP C   O    doub N N 61  
ASP C   OXT  sing N N 62  
ASP CB  CG   sing N N 63  
ASP CB  HB2  sing N N 64  
ASP CB  HB3  sing N N 65  
ASP CG  OD1  doub N N 66  
ASP CG  OD2  sing N N 67  
ASP OD2 HD2  sing N N 68  
ASP OXT HXT  sing N N 69  
CYS N   CA   sing N N 70  
CYS N   H    sing N N 71  
CYS N   H2   sing N N 72  
CYS CA  C    sing N N 73  
CYS CA  CB   sing N N 74  
CYS CA  HA   sing N N 75  
CYS C   O    doub N N 76  
CYS C   OXT  sing N N 77  
CYS CB  SG   sing N N 78  
CYS CB  HB2  sing N N 79  
CYS CB  HB3  sing N N 80  
CYS SG  HG   sing N N 81  
CYS OXT HXT  sing N N 82  
GLN N   CA   sing N N 83  
GLN N   H    sing N N 84  
GLN N   H2   sing N N 85  
GLN CA  C    sing N N 86  
GLN CA  CB   sing N N 87  
GLN CA  HA   sing N N 88  
GLN C   O    doub N N 89  
GLN C   OXT  sing N N 90  
GLN CB  CG   sing N N 91  
GLN CB  HB2  sing N N 92  
GLN CB  HB3  sing N N 93  
GLN CG  CD   sing N N 94  
GLN CG  HG2  sing N N 95  
GLN CG  HG3  sing N N 96  
GLN CD  OE1  doub N N 97  
GLN CD  NE2  sing N N 98  
GLN NE2 HE21 sing N N 99  
GLN NE2 HE22 sing N N 100 
GLN OXT HXT  sing N N 101 
GLU N   CA   sing N N 102 
GLU N   H    sing N N 103 
GLU N   H2   sing N N 104 
GLU CA  C    sing N N 105 
GLU CA  CB   sing N N 106 
GLU CA  HA   sing N N 107 
GLU C   O    doub N N 108 
GLU C   OXT  sing N N 109 
GLU CB  CG   sing N N 110 
GLU CB  HB2  sing N N 111 
GLU CB  HB3  sing N N 112 
GLU CG  CD   sing N N 113 
GLU CG  HG2  sing N N 114 
GLU CG  HG3  sing N N 115 
GLU CD  OE1  doub N N 116 
GLU CD  OE2  sing N N 117 
GLU OE2 HE2  sing N N 118 
GLU OXT HXT  sing N N 119 
GLY N   CA   sing N N 120 
GLY N   H    sing N N 121 
GLY N   H2   sing N N 122 
GLY CA  C    sing N N 123 
GLY CA  HA2  sing N N 124 
GLY CA  HA3  sing N N 125 
GLY C   O    doub N N 126 
GLY C   OXT  sing N N 127 
GLY OXT HXT  sing N N 128 
HIS N   CA   sing N N 129 
HIS N   H    sing N N 130 
HIS N   H2   sing N N 131 
HIS CA  C    sing N N 132 
HIS CA  CB   sing N N 133 
HIS CA  HA   sing N N 134 
HIS C   O    doub N N 135 
HIS C   OXT  sing N N 136 
HIS CB  CG   sing N N 137 
HIS CB  HB2  sing N N 138 
HIS CB  HB3  sing N N 139 
HIS CG  ND1  sing Y N 140 
HIS CG  CD2  doub Y N 141 
HIS ND1 CE1  doub Y N 142 
HIS ND1 HD1  sing N N 143 
HIS CD2 NE2  sing Y N 144 
HIS CD2 HD2  sing N N 145 
HIS CE1 NE2  sing Y N 146 
HIS CE1 HE1  sing N N 147 
HIS NE2 HE2  sing N N 148 
HIS OXT HXT  sing N N 149 
HOH O   H1   sing N N 150 
HOH O   H2   sing N N 151 
I70 C32 C30  sing N N 152 
I70 C26 C30  sing N N 153 
I70 C30 C11  sing N N 154 
I70 C30 C31  sing N N 155 
I70 C13 C16  sing N N 156 
I70 C13 N13  sing N N 157 
I70 O29 C9   doub N N 158 
I70 C16 C34  sing N N 159 
I70 C16 C18  sing N N 160 
I70 O38 C15  doub N N 161 
I70 C11 N10  sing N N 162 
I70 C11 C12  sing N N 163 
I70 C29 C7   sing N N 164 
I70 C9  N10  sing N N 165 
I70 C9  N8   sing N N 166 
I70 N13 C12  sing N N 167 
I70 N13 C14  sing N N 168 
I70 N2  C1   sing N N 169 
I70 C34 C18  sing N N 170 
I70 C34 C14  sing N N 171 
I70 C25 C18  sing N N 172 
I70 C12 O33  doub N N 173 
I70 C21 C22  sing N N 174 
I70 C21 C20  sing N N 175 
I70 C18 C23  sing N N 176 
I70 C15 C14  sing N N 177 
I70 C15 N16  sing N N 178 
I70 C22 N23  sing N N 179 
I70 C7  N8   sing N N 180 
I70 C7  C28  sing N N 181 
I70 C7  C27  sing N N 182 
I70 O9  C8   sing N N 183 
I70 C1  C8   sing N N 184 
I70 C1  O5   doub N N 185 
I70 C17 N16  sing N N 186 
I70 C17 C8   sing N N 187 
I70 C17 C19  sing N N 188 
I70 C20 C19  sing N N 189 
I70 C20 C24  sing N N 190 
I70 N23 C24  sing N N 191 
I70 C24 O26  doub N N 192 
I70 C11 H1   sing N N 193 
I70 C13 H2   sing N N 194 
I70 C13 H3   sing N N 195 
I70 C14 H4   sing N N 196 
I70 C16 H5   sing N N 197 
I70 C17 H6   sing N N 198 
I70 C19 H7   sing N N 199 
I70 C19 H8   sing N N 200 
I70 C20 H9   sing N N 201 
I70 C21 H10  sing N N 202 
I70 C21 H11  sing N N 203 
I70 C22 H12  sing N N 204 
I70 C22 H13  sing N N 205 
I70 C23 H14  sing N N 206 
I70 C23 H15  sing N N 207 
I70 C23 H16  sing N N 208 
I70 C25 H17  sing N N 209 
I70 C25 H18  sing N N 210 
I70 C25 H19  sing N N 211 
I70 C26 H20  sing N N 212 
I70 C26 H21  sing N N 213 
I70 C26 H22  sing N N 214 
I70 C27 H23  sing N N 215 
I70 C27 H24  sing N N 216 
I70 C27 H25  sing N N 217 
I70 C28 H26  sing N N 218 
I70 C28 H27  sing N N 219 
I70 C28 H28  sing N N 220 
I70 C29 H29  sing N N 221 
I70 C29 H30  sing N N 222 
I70 C29 H31  sing N N 223 
I70 C31 H32  sing N N 224 
I70 C31 H33  sing N N 225 
I70 C31 H34  sing N N 226 
I70 C32 H35  sing N N 227 
I70 C32 H36  sing N N 228 
I70 C32 H37  sing N N 229 
I70 C34 H38  sing N N 230 
I70 C8  H39  sing N N 231 
I70 N10 H40  sing N N 232 
I70 N16 H41  sing N N 233 
I70 N2  H42  sing N N 234 
I70 N2  H43  sing N N 235 
I70 N23 H44  sing N N 236 
I70 N8  H45  sing N N 237 
I70 O9  H46  sing N N 238 
ILE N   CA   sing N N 239 
ILE N   H    sing N N 240 
ILE N   H2   sing N N 241 
ILE CA  C    sing N N 242 
ILE CA  CB   sing N N 243 
ILE CA  HA   sing N N 244 
ILE C   O    doub N N 245 
ILE C   OXT  sing N N 246 
ILE CB  CG1  sing N N 247 
ILE CB  CG2  sing N N 248 
ILE CB  HB   sing N N 249 
ILE CG1 CD1  sing N N 250 
ILE CG1 HG12 sing N N 251 
ILE CG1 HG13 sing N N 252 
ILE CG2 HG21 sing N N 253 
ILE CG2 HG22 sing N N 254 
ILE CG2 HG23 sing N N 255 
ILE CD1 HD11 sing N N 256 
ILE CD1 HD12 sing N N 257 
ILE CD1 HD13 sing N N 258 
ILE OXT HXT  sing N N 259 
LEU N   CA   sing N N 260 
LEU N   H    sing N N 261 
LEU N   H2   sing N N 262 
LEU CA  C    sing N N 263 
LEU CA  CB   sing N N 264 
LEU CA  HA   sing N N 265 
LEU C   O    doub N N 266 
LEU C   OXT  sing N N 267 
LEU CB  CG   sing N N 268 
LEU CB  HB2  sing N N 269 
LEU CB  HB3  sing N N 270 
LEU CG  CD1  sing N N 271 
LEU CG  CD2  sing N N 272 
LEU CG  HG   sing N N 273 
LEU CD1 HD11 sing N N 274 
LEU CD1 HD12 sing N N 275 
LEU CD1 HD13 sing N N 276 
LEU CD2 HD21 sing N N 277 
LEU CD2 HD22 sing N N 278 
LEU CD2 HD23 sing N N 279 
LEU OXT HXT  sing N N 280 
LYS N   CA   sing N N 281 
LYS N   H    sing N N 282 
LYS N   H2   sing N N 283 
LYS CA  C    sing N N 284 
LYS CA  CB   sing N N 285 
LYS CA  HA   sing N N 286 
LYS C   O    doub N N 287 
LYS C   OXT  sing N N 288 
LYS CB  CG   sing N N 289 
LYS CB  HB2  sing N N 290 
LYS CB  HB3  sing N N 291 
LYS CG  CD   sing N N 292 
LYS CG  HG2  sing N N 293 
LYS CG  HG3  sing N N 294 
LYS CD  CE   sing N N 295 
LYS CD  HD2  sing N N 296 
LYS CD  HD3  sing N N 297 
LYS CE  NZ   sing N N 298 
LYS CE  HE2  sing N N 299 
LYS CE  HE3  sing N N 300 
LYS NZ  HZ1  sing N N 301 
LYS NZ  HZ2  sing N N 302 
LYS NZ  HZ3  sing N N 303 
LYS OXT HXT  sing N N 304 
MET N   CA   sing N N 305 
MET N   H    sing N N 306 
MET N   H2   sing N N 307 
MET CA  C    sing N N 308 
MET CA  CB   sing N N 309 
MET CA  HA   sing N N 310 
MET C   O    doub N N 311 
MET C   OXT  sing N N 312 
MET CB  CG   sing N N 313 
MET CB  HB2  sing N N 314 
MET CB  HB3  sing N N 315 
MET CG  SD   sing N N 316 
MET CG  HG2  sing N N 317 
MET CG  HG3  sing N N 318 
MET SD  CE   sing N N 319 
MET CE  HE1  sing N N 320 
MET CE  HE2  sing N N 321 
MET CE  HE3  sing N N 322 
MET OXT HXT  sing N N 323 
PHE N   CA   sing N N 324 
PHE N   H    sing N N 325 
PHE N   H2   sing N N 326 
PHE CA  C    sing N N 327 
PHE CA  CB   sing N N 328 
PHE CA  HA   sing N N 329 
PHE C   O    doub N N 330 
PHE C   OXT  sing N N 331 
PHE CB  CG   sing N N 332 
PHE CB  HB2  sing N N 333 
PHE CB  HB3  sing N N 334 
PHE CG  CD1  doub Y N 335 
PHE CG  CD2  sing Y N 336 
PHE CD1 CE1  sing Y N 337 
PHE CD1 HD1  sing N N 338 
PHE CD2 CE2  doub Y N 339 
PHE CD2 HD2  sing N N 340 
PHE CE1 CZ   doub Y N 341 
PHE CE1 HE1  sing N N 342 
PHE CE2 CZ   sing Y N 343 
PHE CE2 HE2  sing N N 344 
PHE CZ  HZ   sing N N 345 
PHE OXT HXT  sing N N 346 
PRO N   CA   sing N N 347 
PRO N   CD   sing N N 348 
PRO N   H    sing N N 349 
PRO CA  C    sing N N 350 
PRO CA  CB   sing N N 351 
PRO CA  HA   sing N N 352 
PRO C   O    doub N N 353 
PRO C   OXT  sing N N 354 
PRO CB  CG   sing N N 355 
PRO CB  HB2  sing N N 356 
PRO CB  HB3  sing N N 357 
PRO CG  CD   sing N N 358 
PRO CG  HG2  sing N N 359 
PRO CG  HG3  sing N N 360 
PRO CD  HD2  sing N N 361 
PRO CD  HD3  sing N N 362 
PRO OXT HXT  sing N N 363 
SER N   CA   sing N N 364 
SER N   H    sing N N 365 
SER N   H2   sing N N 366 
SER CA  C    sing N N 367 
SER CA  CB   sing N N 368 
SER CA  HA   sing N N 369 
SER C   O    doub N N 370 
SER C   OXT  sing N N 371 
SER CB  OG   sing N N 372 
SER CB  HB2  sing N N 373 
SER CB  HB3  sing N N 374 
SER OG  HG   sing N N 375 
SER OXT HXT  sing N N 376 
THR N   CA   sing N N 377 
THR N   H    sing N N 378 
THR N   H2   sing N N 379 
THR CA  C    sing N N 380 
THR CA  CB   sing N N 381 
THR CA  HA   sing N N 382 
THR C   O    doub N N 383 
THR C   OXT  sing N N 384 
THR CB  OG1  sing N N 385 
THR CB  CG2  sing N N 386 
THR CB  HB   sing N N 387 
THR OG1 HG1  sing N N 388 
THR CG2 HG21 sing N N 389 
THR CG2 HG22 sing N N 390 
THR CG2 HG23 sing N N 391 
THR OXT HXT  sing N N 392 
TRP N   CA   sing N N 393 
TRP N   H    sing N N 394 
TRP N   H2   sing N N 395 
TRP CA  C    sing N N 396 
TRP CA  CB   sing N N 397 
TRP CA  HA   sing N N 398 
TRP C   O    doub N N 399 
TRP C   OXT  sing N N 400 
TRP CB  CG   sing N N 401 
TRP CB  HB2  sing N N 402 
TRP CB  HB3  sing N N 403 
TRP CG  CD1  doub Y N 404 
TRP CG  CD2  sing Y N 405 
TRP CD1 NE1  sing Y N 406 
TRP CD1 HD1  sing N N 407 
TRP CD2 CE2  doub Y N 408 
TRP CD2 CE3  sing Y N 409 
TRP NE1 CE2  sing Y N 410 
TRP NE1 HE1  sing N N 411 
TRP CE2 CZ2  sing Y N 412 
TRP CE3 CZ3  doub Y N 413 
TRP CE3 HE3  sing N N 414 
TRP CZ2 CH2  doub Y N 415 
TRP CZ2 HZ2  sing N N 416 
TRP CZ3 CH2  sing Y N 417 
TRP CZ3 HZ3  sing N N 418 
TRP CH2 HH2  sing N N 419 
TRP OXT HXT  sing N N 420 
TYR N   CA   sing N N 421 
TYR N   H    sing N N 422 
TYR N   H2   sing N N 423 
TYR CA  C    sing N N 424 
TYR CA  CB   sing N N 425 
TYR CA  HA   sing N N 426 
TYR C   O    doub N N 427 
TYR C   OXT  sing N N 428 
TYR CB  CG   sing N N 429 
TYR CB  HB2  sing N N 430 
TYR CB  HB3  sing N N 431 
TYR CG  CD1  doub Y N 432 
TYR CG  CD2  sing Y N 433 
TYR CD1 CE1  sing Y N 434 
TYR CD1 HD1  sing N N 435 
TYR CD2 CE2  doub Y N 436 
TYR CD2 HD2  sing N N 437 
TYR CE1 CZ   doub Y N 438 
TYR CE1 HE1  sing N N 439 
TYR CE2 CZ   sing Y N 440 
TYR CE2 HE2  sing N N 441 
TYR CZ  OH   sing N N 442 
TYR OH  HH   sing N N 443 
TYR OXT HXT  sing N N 444 
VAL N   CA   sing N N 445 
VAL N   H    sing N N 446 
VAL N   H2   sing N N 447 
VAL CA  C    sing N N 448 
VAL CA  CB   sing N N 449 
VAL CA  HA   sing N N 450 
VAL C   O    doub N N 451 
VAL C   OXT  sing N N 452 
VAL CB  CG1  sing N N 453 
VAL CB  CG2  sing N N 454 
VAL CB  HB   sing N N 455 
VAL CG1 HG11 sing N N 456 
VAL CG1 HG12 sing N N 457 
VAL CG1 HG13 sing N N 458 
VAL CG2 HG21 sing N N 459 
VAL CG2 HG22 sing N N 460 
VAL CG2 HG23 sing N N 461 
VAL OXT HXT  sing N N 462 
# 
_pdbx_audit_support.funding_organization   'European Commission' 
_pdbx_audit_support.country                'European Union' 
_pdbx_audit_support.grant_number           ? 
_pdbx_audit_support.ordinal                1 
# 
_pdbx_initial_refinement_model.id               1 
_pdbx_initial_refinement_model.entity_id_list   ? 
_pdbx_initial_refinement_model.type             'experimental model' 
_pdbx_initial_refinement_model.source_name      PDB 
_pdbx_initial_refinement_model.accession_code   4GHK 
_pdbx_initial_refinement_model.details          ? 
# 
_atom_sites.entry_id                    7QUB 
_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.fract_transf_matrix[1][1]   0.008174 
_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]   0.008174 
_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]   0.008174 
_atom_sites.fract_transf_vector[1]      0.00000 
_atom_sites.fract_transf_vector[2]      0.00000 
_atom_sites.fract_transf_vector[3]      0.00000 
_atom_sites.solution_primary            ? 
_atom_sites.solution_secondary          ? 
_atom_sites.solution_hydrogens          ? 
_atom_sites.special_details             ? 
# 
loop_
_atom_type.symbol 
_atom_type.pdbx_scat_Z 
_atom_type.pdbx_N_electrons 
_atom_type.scat_Cromer_Mann_a1 
_atom_type.scat_Cromer_Mann_b1 
_atom_type.scat_Cromer_Mann_a2 
_atom_type.scat_Cromer_Mann_b2 
_atom_type.scat_Cromer_Mann_a3 
_atom_type.scat_Cromer_Mann_b3 
_atom_type.scat_Cromer_Mann_a4 
_atom_type.scat_Cromer_Mann_b4 
_atom_type.scat_Cromer_Mann_c 
C  6  6  2.310  20.844 1.020 10.208 1.589 0.569  0.865 51.651 0.216   
H  1  1  0.493  10.511 0.323 26.126 0.140 3.142  0.041 57.800 0.003   
N  7  7  12.222 0.006  3.135 9.893  2.014 28.997 1.167 0.583  -11.538 
NA ?  ?  ?      ?      ?     ?      ?     ?      ?     ?      ?       
O  8  8  3.049  13.277 2.287 5.701  1.546 0.324  0.867 32.909 0.251   
S  16 16 6.905  1.468  5.203 22.215 1.438 0.254  1.586 56.172 1.065   
# 
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_site.calc_flag 
ATOM   1    N  N   . PRO A 1 1   ? 54.574 48.364 25.671 1.000 80.890  0 2   PRO AAA N   1 ? 
ATOM   2    C  CA  . PRO A 1 1   ? 54.723 49.158 24.446 1.000 70.073  0 2   PRO AAA CA  1 ? 
ATOM   3    C  C   . PRO A 1 1   ? 53.381 49.097 23.714 1.000 65.027  0 2   PRO AAA C   1 ? 
ATOM   4    O  O   . PRO A 1 1   ? 52.707 48.092 23.768 1.000 74.034  0 2   PRO AAA O   1 ? 
ATOM   5    C  CB  . PRO A 1 1   ? 55.853 48.505 23.624 1.000 72.907  0 2   PRO AAA CB  1 ? 
ATOM   6    C  CG  . PRO A 1 1   ? 56.349 47.357 24.485 1.000 71.932  0 2   PRO AAA CG  1 ? 
ATOM   7    C  CD  . PRO A 1 1   ? 55.170 47.041 25.388 1.000 79.361  0 2   PRO AAA CD  1 ? 
ATOM   8    N  N   . SER A 1 2   ? 52.992 50.181 23.067 1.000 57.704  0 3   SER AAA N   1 ? 
ATOM   9    C  CA  . SER A 1 2   ? 51.577 50.373 22.666 1.000 53.022  0 3   SER AAA CA  1 ? 
ATOM   10   C  C   . SER A 1 2   ? 51.257 49.513 21.440 1.000 54.573  0 3   SER AAA C   1 ? 
ATOM   11   O  O   . SER A 1 2   ? 50.045 49.284 21.190 1.000 54.059  0 3   SER AAA O   1 ? 
ATOM   12   C  CB  . SER A 1 2   ? 51.269 51.832 22.425 1.000 55.087  0 3   SER AAA CB  1 ? 
ATOM   13   O  OG  . SER A 1 2   ? 52.218 52.390 21.538 1.000 50.851  0 3   SER AAA OG  1 ? 
ATOM   14   N  N   . LEU A 1 3   ? 52.272 49.069 20.680 1.000 44.089  0 4   LEU AAA N   1 ? 
ATOM   15   C  CA  . LEU A 1 3   ? 52.028 48.299 19.443 1.000 42.257  0 4   LEU AAA CA  1 ? 
ATOM   16   C  C   . LEU A 1 3   ? 51.387 46.971 19.861 1.000 42.823  0 4   LEU AAA C   1 ? 
ATOM   17   O  O   . LEU A 1 3   ? 50.637 46.411 19.071 1.000 41.285  0 4   LEU AAA O   1 ? 
ATOM   18   C  CB  . LEU A 1 3   ? 53.323 48.089 18.658 1.000 44.931  0 4   LEU AAA CB  1 ? 
ATOM   19   C  CG  . LEU A 1 3   ? 53.190 47.166 17.440 1.000 45.805  0 4   LEU AAA CG  1 ? 
ATOM   20   C  CD1 . LEU A 1 3   ? 52.251 47.772 16.418 1.000 41.039  0 4   LEU AAA CD1 1 ? 
ATOM   21   C  CD2 . LEU A 1 3   ? 54.539 46.882 16.792 1.000 47.212  0 4   LEU AAA CD2 1 ? 
ATOM   22   N  N   . ASP A 1 4   ? 51.659 46.534 21.088 1.000 43.163  0 5   ASP AAA N   1 ? 
ATOM   23   C  CA  . ASP A 1 4   ? 51.084 45.327 21.731 1.000 47.901  0 5   ASP AAA CA  1 ? 
ATOM   24   C  C   . ASP A 1 4   ? 49.553 45.432 21.784 1.000 41.165  0 5   ASP AAA C   1 ? 
ATOM   25   O  O   . ASP A 1 4   ? 48.831 44.497 21.342 1.000 37.963  0 5   ASP AAA O   1 ? 
ATOM   26   C  CB  . ASP A 1 4   ? 51.650 45.234 23.151 1.000 56.535  0 5   ASP AAA CB  1 ? 
ATOM   27   C  CG  . ASP A 1 4   ? 51.530 43.855 23.745 1.000 69.695  0 5   ASP AAA CG  1 ? 
ATOM   28   O  OD1 . ASP A 1 4   ? 51.615 42.876 22.969 1.000 81.220  0 5   ASP AAA OD1 1 ? 
ATOM   29   O  OD2 . ASP A 1 4   ? 51.368 43.771 24.973 1.000 99.893  0 5   ASP AAA OD2 1 ? 
ATOM   30   N  N   . PHE A 1 5   ? 49.058 46.539 22.326 1.000 39.388  0 6   PHE AAA N   1 ? 
ATOM   31   C  CA  . PHE A 1 5   ? 47.606 46.809 22.462 1.000 41.159  0 6   PHE AAA CA  1 ? 
ATOM   32   C  C   . PHE A 1 5   ? 47.004 46.886 21.054 1.000 41.945  0 6   PHE AAA C   1 ? 
ATOM   33   O  O   . PHE A 1 5   ? 45.961 46.254 20.737 1.000 40.841  0 6   PHE AAA O   1 ? 
ATOM   34   C  CB  . PHE A 1 5   ? 47.406 48.103 23.262 1.000 45.029  0 6   PHE AAA CB  1 ? 
ATOM   35   C  CG  . PHE A 1 5   ? 45.956 48.388 23.552 1.000 48.062  0 6   PHE AAA CG  1 ? 
ATOM   36   C  CD1 . PHE A 1 5   ? 45.245 47.585 24.430 1.000 50.471  0 6   PHE AAA CD1 1 ? 
ATOM   37   C  CD2 . PHE A 1 5   ? 45.272 49.381 22.869 1.000 53.004  0 6   PHE AAA CD2 1 ? 
ATOM   38   C  CE1 . PHE A 1 5   ? 43.888 47.786 24.632 1.000 55.394  0 6   PHE AAA CE1 1 ? 
ATOM   39   C  CE2 . PHE A 1 5   ? 43.920 49.615 23.110 1.000 54.609  0 6   PHE AAA CE2 1 ? 
ATOM   40   C  CZ  . PHE A 1 5   ? 43.232 48.811 23.983 1.000 55.150  0 6   PHE AAA CZ  1 ? 
ATOM   41   N  N   . ALA A 1 6   ? 47.658 47.667 20.190 1.000 37.620  0 7   ALA AAA N   1 ? 
ATOM   42   C  CA  . ALA A 1 6   ? 47.168 47.888 18.809 1.000 39.017  0 7   ALA AAA CA  1 ? 
ATOM   43   C  C   . ALA A 1 6   ? 47.087 46.533 18.100 1.000 37.997  0 7   ALA AAA C   1 ? 
ATOM   44   O  O   . ALA A 1 6   ? 46.110 46.311 17.443 1.000 37.212  0 7   ALA AAA O   1 ? 
ATOM   45   C  CB  . ALA A 1 6   ? 48.052 48.853 18.075 1.000 41.254  0 7   ALA AAA CB  1 ? 
ATOM   46   N  N   . LEU A 1 7   ? 48.083 45.656 18.247 1.000 36.835  0 8   LEU AAA N   1 ? 
ATOM   47   C  CA  . LEU A 1 7   ? 48.074 44.330 17.582 1.000 38.455  0 8   LEU AAA CA  1 ? 
ATOM   48   C  C   . LEU A 1 7   ? 46.886 43.507 18.101 1.000 37.454  0 8   LEU AAA C   1 ? 
ATOM   49   O  O   . LEU A 1 7   ? 46.198 42.820 17.304 1.000 41.482  0 8   LEU AAA O   1 ? 
ATOM   50   C  CB  . LEU A 1 7   ? 49.370 43.588 17.903 1.000 37.948  0 8   LEU AAA CB  1 ? 
ATOM   51   C  CG  . LEU A 1 7   ? 49.907 42.584 16.875 1.000 44.393  0 8   LEU AAA CG  1 ? 
ATOM   52   C  CD1 . LEU A 1 7   ? 50.596 41.429 17.570 1.000 42.951  0 8   LEU AAA CD1 1 ? 
ATOM   53   C  CD2 . LEU A 1 7   ? 48.895 42.079 15.879 1.000 39.536  0 8   LEU AAA CD2 1 ? 
ATOM   54   N  N   . SER A 1 8   ? 46.749 43.447 19.414 1.000 40.588  0 9   SER AAA N   1 ? 
ATOM   55   C  CA  . SER A 1 8   ? 45.660 42.705 20.084 1.000 46.203  0 9   SER AAA CA  1 ? 
ATOM   56   C  C   . SER A 1 8   ? 44.315 43.155 19.504 1.000 44.449  0 9   SER AAA C   1 ? 
ATOM   57   O  O   . SER A 1 8   ? 43.480 42.351 19.101 1.000 42.223  0 9   SER AAA O   1 ? 
ATOM   58   C  CB  . SER A 1 8   ? 45.705 42.973 21.542 1.000 54.751  0 9   SER AAA CB  1 ? 
ATOM   59   O  OG  . SER A 1 8   ? 44.469 42.588 22.104 1.000 62.733  0 9   SER AAA OG  1 ? 
ATOM   60   N  N   . LEU A 1 9   ? 44.146 44.455 19.391 1.000 39.992  0 10  LEU AAA N   1 ? 
ATOM   61   C  CA  . LEU A 1 9   ? 42.887 45.035 18.896 1.000 40.986  0 10  LEU AAA CA  1 ? 
ATOM   62   C  C   . LEU A 1 9   ? 42.685 44.621 17.437 1.000 41.995  0 10  LEU AAA C   1 ? 
ATOM   63   O  O   . LEU A 1 9   ? 41.572 44.218 17.068 1.000 42.011  0 10  LEU AAA O   1 ? 
ATOM   64   C  CB  . LEU A 1 9   ? 43.020 46.540 19.076 1.000 46.469  0 10  LEU AAA CB  1 ? 
ATOM   65   C  CG  . LEU A 1 9   ? 41.729 47.299 19.255 1.000 53.501  0 10  LEU AAA CG  1 ? 
ATOM   66   C  CD1 . LEU A 1 9   ? 40.976 46.848 20.495 1.000 48.823  0 10  LEU AAA CD1 1 ? 
ATOM   67   C  CD2 . LEU A 1 9   ? 42.085 48.762 19.321 1.000 61.164  0 10  LEU AAA CD2 1 ? 
ATOM   68   N  N   . LEU A 1 10  ? 43.744 44.671 16.641 1.000 37.878  0 11  LEU AAA N   1 ? 
ATOM   69   C  CA  . LEU A 1 10  ? 43.685 44.324 15.203 1.000 38.221  0 11  LEU AAA CA  1 ? 
ATOM   70   C  C   . LEU A 1 10  ? 43.132 42.907 15.078 1.000 45.469  0 11  LEU AAA C   1 ? 
ATOM   71   O  O   . LEU A 1 10  ? 42.239 42.659 14.212 1.000 39.116  0 11  LEU AAA O   1 ? 
ATOM   72   C  CB  . LEU A 1 10  ? 45.094 44.399 14.636 1.000 39.559  0 11  LEU AAA CB  1 ? 
ATOM   73   C  CG  . LEU A 1 10  ? 45.266 44.462 13.118 1.000 49.081  0 11  LEU AAA CG  1 ? 
ATOM   74   C  CD1 . LEU A 1 10  ? 46.160 43.361 12.612 1.000 45.629  0 11  LEU AAA CD1 1 ? 
ATOM   75   C  CD2 . LEU A 1 10  ? 43.968 44.506 12.353 1.000 49.411  0 11  LEU AAA CD2 1 ? 
ATOM   76   N  N   . ARG A 1 11  ? 43.657 42.001 15.897 1.000 44.947  0 12  ARG AAA N   1 ? 
ATOM   77   C  CA  . ARG A 1 11  ? 43.435 40.546 15.656 1.000 46.937  0 12  ARG AAA CA  1 ? 
ATOM   78   C  C   . ARG A 1 11  ? 42.112 40.099 16.264 1.000 39.748  0 12  ARG AAA C   1 ? 
ATOM   79   O  O   . ARG A 1 11  ? 41.437 39.364 15.626 1.000 41.843  0 12  ARG AAA O   1 ? 
ATOM   80   C  CB  . ARG A 1 11  ? 44.639 39.755 16.144 1.000 44.640  0 12  ARG AAA CB  1 ? 
ATOM   81   C  CG  . ARG A 1 11  ? 45.844 40.060 15.265 1.000 52.546  0 12  ARG AAA CG  1 ? 
ATOM   82   C  CD  . ARG A 1 11  ? 46.772 38.891 15.147 1.000 57.761  0 12  ARG AAA CD  1 ? 
ATOM   83   N  NE  . ARG A 1 11  ? 47.476 38.793 16.411 1.000 58.022  0 12  ARG AAA NE  1 ? 
ATOM   84   C  CZ  . ARG A 1 11  ? 48.491 37.984 16.645 1.000 53.630  0 12  ARG AAA CZ  1 ? 
ATOM   85   N  NH1 . ARG A 1 11  ? 48.921 37.163 15.705 1.000 53.294  0 12  ARG AAA NH1 1 ? 
ATOM   86   N  NH2 . ARG A 1 11  ? 49.062 38.009 17.830 1.000 53.194  0 12  ARG AAA NH2 1 ? 
ATOM   87   N  N   . ARG A 1 12  ? 41.759 40.595 17.429 1.000 42.261  0 13  ARG AAA N   1 ? 
ATOM   88   C  CA  . ARG A 1 12  ? 40.562 40.146 18.174 1.000 45.598  0 13  ARG AAA CA  1 ? 
ATOM   89   C  C   . ARG A 1 12  ? 39.328 41.009 17.854 1.000 46.629  0 13  ARG AAA C   1 ? 
ATOM   90   O  O   . ARG A 1 12  ? 38.243 40.437 17.876 1.000 44.873  0 13  ARG AAA O   1 ? 
ATOM   91   C  CB  . ARG A 1 12  ? 40.962 40.127 19.644 1.000 48.598  0 13  ARG AAA CB  1 ? 
ATOM   92   C  CG  . ARG A 1 12  ? 42.238 39.321 19.868 1.000 53.095  0 13  ARG AAA CG  1 ? 
ATOM   93   C  CD  . ARG A 1 12  ? 42.556 39.090 21.325 1.000 57.166  0 13  ARG AAA CD  1 ? 
ATOM   94   N  NE  . ARG A 1 12  ? 41.452 38.353 21.913 1.000 65.763  0 13  ARG AAA NE  1 ? 
ATOM   95   C  CZ  . ARG A 1 12  ? 41.266 38.158 23.210 1.000 64.322  0 13  ARG AAA CZ  1 ? 
ATOM   96   N  NH1 . ARG A 1 12  ? 42.119 38.636 24.102 1.000 63.164  0 13  ARG AAA NH1 1 ? 
ATOM   97   N  NH2 . ARG A 1 12  ? 40.202 37.491 23.605 1.000 62.825  0 13  ARG AAA NH2 1 ? 
ATOM   98   N  N   . ASN A 1 13  ? 39.458 42.288 17.458 1.000 46.341  0 14  ASN AAA N   1 ? 
ATOM   99   C  CA  . ASN A 1 13  ? 38.283 43.204 17.375 1.000 46.867  0 14  ASN AAA CA  1 ? 
ATOM   100  C  C   . ASN A 1 13  ? 38.098 43.882 16.018 1.000 47.025  0 14  ASN AAA C   1 ? 
ATOM   101  O  O   . ASN A 1 13  ? 36.975 44.352 15.776 1.000 49.620  0 14  ASN AAA O   1 ? 
ATOM   102  C  CB  . ASN A 1 13  ? 38.338 44.252 18.466 1.000 49.923  0 14  ASN AAA CB  1 ? 
ATOM   103  C  CG  . ASN A 1 13  ? 38.099 43.579 19.790 1.000 53.173  0 14  ASN AAA CG  1 ? 
ATOM   104  O  OD1 . ASN A 1 13  ? 39.021 43.006 20.353 1.000 47.745  0 14  ASN AAA OD1 1 ? 
ATOM   105  N  ND2 . ASN A 1 13  ? 36.849 43.562 20.226 1.000 51.364  0 14  ASN AAA ND2 1 ? 
ATOM   106  N  N   . ILE A 1 14  ? 39.122 43.936 15.171 1.000 43.839  0 15  ILE AAA N   1 ? 
ATOM   107  C  CA  . ILE A 1 14  ? 39.034 44.711 13.909 1.000 39.266  0 15  ILE AAA CA  1 ? 
ATOM   108  C  C   . ILE A 1 14  ? 38.825 43.741 12.756 1.000 39.820  0 15  ILE AAA C   1 ? 
ATOM   109  O  O   . ILE A 1 14  ? 39.482 42.684 12.735 1.000 38.787  0 15  ILE AAA O   1 ? 
ATOM   110  C  CB  . ILE A 1 14  ? 40.250 45.634 13.756 1.000 41.746  0 15  ILE AAA CB  1 ? 
ATOM   111  C  CG1 . ILE A 1 14  ? 40.170 46.777 14.770 1.000 42.397  0 15  ILE AAA CG1 1 ? 
ATOM   112  C  CG2 . ILE A 1 14  ? 40.358 46.139 12.334 1.000 41.216  0 15  ILE AAA CG2 1 ? 
ATOM   113  C  CD1 . ILE A 1 14  ? 41.425 47.574 14.913 1.000 46.154  0 15  ILE AAA CD1 1 ? 
ATOM   114  N  N   . ARG A 1 15  ? 37.901 44.069 11.856 1.000 38.726  0 16  ARG AAA N   1 ? 
ATOM   115  C  CA  . ARG A 1 15  ? 37.571 43.235 10.668 1.000 39.487  0 16  ARG AAA CA  1 ? 
ATOM   116  C  C   . ARG A 1 15  ? 37.578 44.109 9.414  1.000 39.951  0 16  ARG AAA C   1 ? 
ATOM   117  O  O   . ARG A 1 15  ? 37.241 45.294 9.506  1.000 40.308  0 16  ARG AAA O   1 ? 
ATOM   118  C  CB  . ARG A 1 15  ? 36.198 42.596 10.865 1.000 43.588  0 16  ARG AAA CB  1 ? 
ATOM   119  C  CG  . ARG A 1 15  ? 36.056 41.753 12.126 1.000 43.774  0 16  ARG AAA CG  1 ? 
ATOM   120  C  CD  . ARG A 1 15  ? 36.849 40.459 12.011 1.000 48.354  0 16  ARG AAA CD  1 ? 
ATOM   121  N  NE  . ARG A 1 15  ? 36.764 39.726 13.254 1.000 51.195  0 16  ARG AAA NE  1 ? 
ATOM   122  C  CZ  . ARG A 1 15  ? 37.677 39.693 14.216 1.000 55.005  0 16  ARG AAA CZ  1 ? 
ATOM   123  N  NH1 . ARG A 1 15  ? 38.814 40.367 14.126 1.000 51.204  0 16  ARG AAA NH1 1 ? 
ATOM   124  N  NH2 . ARG A 1 15  ? 37.416 38.988 15.304 1.000 53.132  0 16  ARG AAA NH2 1 ? 
ATOM   125  N  N   . GLN A 1 16  ? 38.014 43.557 8.297  1.000 42.811  0 17  GLN AAA N   1 ? 
ATOM   126  C  CA  . GLN A 1 16  ? 37.846 44.164 6.958  1.000 43.792  0 17  GLN AAA CA  1 ? 
ATOM   127  C  C   . GLN A 1 16  ? 36.392 43.992 6.569  1.000 39.741  0 17  GLN AAA C   1 ? 
ATOM   128  O  O   . GLN A 1 16  ? 35.886 42.857 6.650  1.000 39.289  0 17  GLN AAA O   1 ? 
ATOM   129  C  CB  . GLN A 1 16  ? 38.547 43.430 5.810  1.000 50.046  0 17  GLN AAA CB  1 ? 
ATOM   130  C  CG  . GLN A 1 16  ? 40.021 43.140 5.974  1.000 62.778  0 17  GLN AAA CG  1 ? 
ATOM   131  C  CD  . GLN A 1 16  ? 40.439 42.352 4.754  1.000 69.757  0 17  GLN AAA CD  1 ? 
ATOM   132  O  OE1 . GLN A 1 16  ? 40.796 41.182 4.855  1.000 79.250  0 17  GLN AAA OE1 1 ? 
ATOM   133  N  NE2 . GLN A 1 16  ? 40.324 42.974 3.586  1.000 67.437  0 17  GLN AAA NE2 1 ? 
ATOM   134  N  N   . VAL A 1 17  ? 35.749 45.042 6.090  1.000 35.006  0 18  VAL AAA N   1 ? 
ATOM   135  C  CA  . VAL A 1 17  ? 34.352 44.881 5.639  1.000 35.448  0 18  VAL AAA CA  1 ? 
ATOM   136  C  C   . VAL A 1 17  ? 34.238 45.593 4.303  1.000 36.867  0 18  VAL AAA C   1 ? 
ATOM   137  O  O   . VAL A 1 17  ? 35.104 46.423 3.971  1.000 38.529  0 18  VAL AAA O   1 ? 
ATOM   138  C  CB  . VAL A 1 17  ? 33.336 45.383 6.682  1.000 35.479  0 18  VAL AAA CB  1 ? 
ATOM   139  C  CG1 . VAL A 1 17  ? 33.613 44.790 8.046  1.000 37.741  0 18  VAL AAA CG1 1 ? 
ATOM   140  C  CG2 . VAL A 1 17  ? 33.320 46.893 6.785  1.000 35.731  0 18  VAL AAA CG2 1 ? 
ATOM   141  N  N   . GLN A 1 18  ? 33.189 45.247 3.581  1.000 38.783  0 19  GLN AAA N   1 ? 
ATOM   142  C  CA  . GLN A 1 18  ? 32.794 45.944 2.350  1.000 40.056  0 19  GLN AAA CA  1 ? 
ATOM   143  C  C   . GLN A 1 18  ? 31.270 46.101 2.356  1.000 40.268  0 19  GLN AAA C   1 ? 
ATOM   144  O  O   . GLN A 1 18  ? 30.553 45.120 2.658  1.000 37.176  0 19  GLN AAA O   1 ? 
ATOM   145  C  CB  . GLN A 1 18  ? 33.305 45.158 1.155  1.000 39.222  0 19  GLN AAA CB  1 ? 
ATOM   146  C  CG  . GLN A 1 18  ? 32.921 45.860 -0.138 1.000 46.718  0 19  GLN AAA CG  1 ? 
ATOM   147  C  CD  . GLN A 1 18  ? 33.411 45.168 -1.381 1.000 52.703  0 19  GLN AAA CD  1 ? 
ATOM   148  O  OE1 . GLN A 1 18  ? 33.862 44.028 -1.363 1.000 52.477  0 19  GLN AAA OE1 1 ? 
ATOM   149  N  NE2 . GLN A 1 18  ? 33.326 45.886 -2.476 1.000 55.367  0 19  GLN AAA NE2 1 ? 
ATOM   150  N  N   . THR A 1 19  ? 30.798 47.304 2.054  1.000 38.772  0 20  THR AAA N   1 ? 
ATOM   151  C  CA  . THR A 1 19  ? 29.367 47.605 1.849  1.000 37.132  0 20  THR AAA CA  1 ? 
ATOM   152  C  C   . THR A 1 19  ? 29.269 48.075 0.418  1.000 36.204  0 20  THR AAA C   1 ? 
ATOM   153  O  O   . THR A 1 19  ? 30.322 48.190 -0.187 1.000 36.037  0 20  THR AAA O   1 ? 
ATOM   154  C  CB  . THR A 1 19  ? 28.887 48.669 2.844  1.000 40.004  0 20  THR AAA CB  1 ? 
ATOM   155  O  OG1 . THR A 1 19  ? 29.443 49.936 2.486  1.000 35.220  0 20  THR AAA OG1 1 ? 
ATOM   156  C  CG2 . THR A 1 19  ? 29.247 48.332 4.275  1.000 38.846  0 20  THR AAA CG2 1 ? 
ATOM   157  N  N   . ASP A 1 20  ? 28.091 48.478 -0.037 1.000 36.696  0 21  ASP AAA N   1 ? 
ATOM   158  C  CA  . ASP A 1 20  ? 27.937 49.093 -1.377 1.000 39.911  0 21  ASP AAA CA  1 ? 
ATOM   159  C  C   . ASP A 1 20  ? 28.687 50.415 -1.432 1.000 42.543  0 21  ASP AAA C   1 ? 
ATOM   160  O  O   . ASP A 1 20  ? 28.788 50.951 -2.538 1.000 39.535  0 21  ASP AAA O   1 ? 
ATOM   161  C  CB  . ASP A 1 20  ? 26.484 49.414 -1.738 1.000 44.615  0 21  ASP AAA CB  1 ? 
ATOM   162  C  CG  . ASP A 1 20  ? 25.686 48.186 -2.104 1.000 58.509  0 21  ASP AAA CG  1 ? 
ATOM   163  O  OD1 . ASP A 1 20  ? 26.305 47.184 -2.542 1.000 68.181  0 21  ASP AAA OD1 1 ? 
ATOM   164  O  OD2 . ASP A 1 20  ? 24.453 48.243 -1.968 1.000 79.504  0 21  ASP AAA OD2 1 ? 
ATOM   165  N  N   . GLN A 1 21  ? 29.084 50.984 -0.293 1.000 41.988  0 22  GLN AAA N   1 ? 
ATOM   166  C  CA  . GLN A 1 21  ? 29.775 52.292 -0.305 1.000 35.960  0 22  GLN AAA CA  1 ? 
ATOM   167  C  C   . GLN A 1 21  ? 31.274 52.057 -0.426 1.000 38.963  0 22  GLN AAA C   1 ? 
ATOM   168  O  O   . GLN A 1 21  ? 31.970 52.995 -0.654 1.000 41.560  0 22  GLN AAA O   1 ? 
ATOM   169  C  CB  . GLN A 1 21  ? 29.466 53.080 0.954  1.000 37.143  0 22  GLN AAA CB  1 ? 
ATOM   170  C  CG  . GLN A 1 21  ? 28.003 53.415 1.083  1.000 41.906  0 22  GLN AAA CG  1 ? 
ATOM   171  C  CD  . GLN A 1 21  ? 27.511 54.311 -0.025 1.000 44.425  0 22  GLN AAA CD  1 ? 
ATOM   172  O  OE1 . GLN A 1 21  ? 26.520 54.025 -0.673 1.000 45.933  0 22  GLN AAA OE1 1 ? 
ATOM   173  N  NE2 . GLN A 1 21  ? 28.198 55.409 -0.249 1.000 47.379  0 22  GLN AAA NE2 1 ? 
ATOM   174  N  N   . GLY A 1 22  ? 31.776 50.848 -0.251 1.000 36.516  0 23  GLY AAA N   1 ? 
ATOM   175  C  CA  . GLY A 1 22  ? 33.232 50.643 -0.346 1.000 37.414  0 23  GLY AAA CA  1 ? 
ATOM   176  C  C   . GLY A 1 22  ? 33.794 49.813 0.788  1.000 38.742  0 23  GLY AAA C   1 ? 
ATOM   177  O  O   . GLY A 1 22  ? 33.045 49.079 1.485  1.000 35.465  0 23  GLY AAA O   1 ? 
ATOM   178  N  N   . HIS A 1 23  ? 35.101 49.898 0.923  1.000 38.350  0 24  HIS AAA N   1 ? 
ATOM   179  C  CA  . HIS A 1 23  ? 35.914 49.143 1.897  1.000 41.219  0 24  HIS AAA CA  1 ? 
ATOM   180  C  C   . HIS A 1 23  ? 36.068 49.976 3.164  1.000 33.269  0 24  HIS AAA C   1 ? 
ATOM   181  O  O   . HIS A 1 23  ? 36.475 51.115 3.048  1.000 35.427  0 24  HIS AAA O   1 ? 
ATOM   182  C  CB  . HIS A 1 23  ? 37.257 48.755 1.234  1.000 47.288  0 24  HIS AAA CB  1 ? 
ATOM   183  C  CG  . HIS A 1 23  ? 37.069 47.842 0.076  1.000 45.619  0 24  HIS AAA CG  1 ? 
ATOM   184  N  ND1 . HIS A 1 23  ? 36.787 48.325 -1.182 1.000 51.310  0 24  HIS AAA ND1 1 ? 
ATOM   185  C  CD2 . HIS A 1 23  ? 36.992 46.501 0.005  1.000 49.885  0 24  HIS AAA CD2 1 ? 
ATOM   186  C  CE1 . HIS A 1 23  ? 36.592 47.314 -1.997 1.000 48.660  0 24  HIS AAA CE1 1 ? 
ATOM   187  N  NE2 . HIS A 1 23  ? 36.691 46.187 -1.294 1.000 49.295  0 24  HIS AAA NE2 1 ? 
ATOM   188  N  N   . PHE A 1 24  ? 35.857 49.377 4.325  1.000 32.129  0 25  PHE AAA N   1 ? 
ATOM   189  C  CA  . PHE A 1 24  ? 36.009 50.052 5.633  1.000 35.250  0 25  PHE AAA CA  1 ? 
ATOM   190  C  C   . PHE A 1 24  ? 36.643 49.103 6.634  1.000 33.528  0 25  PHE AAA C   1 ? 
ATOM   191  O  O   . PHE A 1 24  ? 36.593 47.899 6.446  1.000 34.629  0 25  PHE AAA O   1 ? 
ATOM   192  C  CB  . PHE A 1 24  ? 34.654 50.522 6.164  1.000 36.066  0 25  PHE AAA CB  1 ? 
ATOM   193  C  CG  . PHE A 1 24  ? 33.993 51.505 5.244  1.000 34.651  0 25  PHE AAA CG  1 ? 
ATOM   194  C  CD1 . PHE A 1 24  ? 33.188 51.077 4.210  1.000 32.793  0 25  PHE AAA CD1 1 ? 
ATOM   195  C  CD2 . PHE A 1 24  ? 34.228 52.863 5.375  1.000 38.544  0 25  PHE AAA CD2 1 ? 
ATOM   196  C  CE1 . PHE A 1 24  ? 32.625 51.988 3.334  1.000 35.184  0 25  PHE AAA CE1 1 ? 
ATOM   197  C  CE2 . PHE A 1 24  ? 33.653 53.778 4.503  1.000 36.722  0 25  PHE AAA CE2 1 ? 
ATOM   198  C  CZ  . PHE A 1 24  ? 32.847 53.334 3.483  1.000 33.443  0 25  PHE AAA CZ  1 ? 
ATOM   199  N  N   . THR A 1 25  ? 37.219 49.674 7.684  1.000 32.096  0 26  THR AAA N   1 ? 
ATOM   200  C  CA  . THR A 1 25  ? 37.606 48.934 8.888  1.000 32.146  0 26  THR AAA CA  1 ? 
ATOM   201  C  C   . THR A 1 25  ? 36.377 48.948 9.802  1.000 34.964  0 26  THR AAA C   1 ? 
ATOM   202  O  O   . THR A 1 25  ? 35.768 50.014 9.973  1.000 33.421  0 26  THR AAA O   1 ? 
ATOM   203  C  CB  . THR A 1 25  ? 38.858 49.534 9.515  1.000 31.525  0 26  THR AAA CB  1 ? 
ATOM   204  O  OG1 . THR A 1 25  ? 39.892 49.520 8.538  1.000 33.581  0 26  THR AAA OG1 1 ? 
ATOM   205  C  CG2 . THR A 1 25  ? 39.325 48.781 10.733 1.000 35.546  0 26  THR AAA CG2 1 ? 
ATOM   206  N  N   . MET A 1 26  ? 36.010 47.793 10.353 1.000 35.442  0 27  MET AAA N   1 ? 
ATOM   207  C  CA  . MET A 1 26  ? 34.940 47.677 11.360 1.000 36.992  0 27  MET AAA CA  1 ? 
ATOM   208  C  C   . MET A 1 26  ? 35.557 47.320 12.712 1.000 34.915  0 27  MET AAA C   1 ? 
ATOM   209  O  O   . MET A 1 26  ? 36.453 46.494 12.729 1.000 36.438  0 27  MET AAA O   1 ? 
ATOM   210  C  CB  . MET A 1 26  ? 33.958 46.584 10.954 1.000 37.573  0 27  MET AAA CB  1 ? 
ATOM   211  C  CG  . MET A 1 26  ? 32.799 46.492 11.916 1.000 44.123  0 27  MET AAA CG  1 ? 
ATOM   212  S  SD  . MET A 1 26  ? 31.504 45.407 11.254 1.000 46.739  0 27  MET AAA SD  1 ? 
ATOM   213  C  CE  . MET A 1 26  ? 32.309 43.821 11.537 1.000 45.969  0 27  MET AAA CE  1 ? 
ATOM   214  N  N   . LEU A 1 27  ? 35.073 47.916 13.802 1.000 33.350  0 28  LEU AAA N   1 ? 
ATOM   215  C  CA  . LEU A 1 27  ? 35.510 47.561 15.172 1.000 32.602  0 28  LEU AAA CA  1 ? 
ATOM   216  C  C   . LEU A 1 27  ? 34.380 46.814 15.862 1.000 36.015  0 28  LEU AAA C   1 ? 
ATOM   217  O  O   . LEU A 1 27  ? 33.334 47.426 16.082 1.000 38.165  0 28  LEU AAA O   1 ? 
ATOM   218  C  CB  . LEU A 1 27  ? 35.824 48.819 15.968 1.000 33.646  0 28  LEU AAA CB  1 ? 
ATOM   219  C  CG  . LEU A 1 27  ? 36.164 48.553 17.432 1.000 34.589  0 28  LEU AAA CG  1 ? 
ATOM   220  C  CD1 . LEU A 1 27  ? 37.467 47.768 17.541 1.000 36.639  0 28  LEU AAA CD1 1 ? 
ATOM   221  C  CD2 . LEU A 1 27  ? 36.246 49.870 18.180 1.000 37.323  0 28  LEU AAA CD2 1 ? 
ATOM   222  N  N   . GLY A 1 28  ? 34.583 45.538 16.160 1.000 37.501  0 29  GLY AAA N   1 ? 
ATOM   223  C  CA  . GLY A 1 28  ? 33.704 44.784 17.066 1.000 38.142  0 29  GLY AAA CA  1 ? 
ATOM   224  C  C   . GLY A 1 28  ? 34.006 45.223 18.475 1.000 40.208  0 29  GLY AAA C   1 ? 
ATOM   225  O  O   . GLY A 1 28  ? 35.200 45.311 18.808 1.000 43.925  0 29  GLY AAA O   1 ? 
ATOM   226  N  N   . VAL A 1 29  ? 32.985 45.560 19.253 1.000 38.400  0 30  VAL AAA N   1 ? 
ATOM   227  C  CA  . VAL A 1 29  ? 33.154 46.122 20.624 1.000 45.687  0 30  VAL AAA CA  1 ? 
ATOM   228  C  C   . VAL A 1 29  ? 32.826 45.102 21.728 1.000 42.186  0 30  VAL AAA C   1 ? 
ATOM   229  O  O   . VAL A 1 29  ? 33.465 45.144 22.780 1.000 40.977  0 30  VAL AAA O   1 ? 
ATOM   230  C  CB  . VAL A 1 29  ? 32.298 47.390 20.734 1.000 47.136  0 30  VAL AAA CB  1 ? 
ATOM   231  C  CG1 . VAL A 1 29  ? 32.251 47.932 22.151 1.000 48.616  0 30  VAL AAA CG1 1 ? 
ATOM   232  C  CG2 . VAL A 1 29  ? 32.827 48.439 19.776 1.000 49.849  0 30  VAL AAA CG2 1 ? 
ATOM   233  N  N   . ARG A 1 30  ? 31.785 44.305 21.548 1.000 43.842  0 31  ARG AAA N   1 ? 
ATOM   234  C  CA  . ARG A 1 30  ? 31.398 43.221 22.481 1.000 44.029  0 31  ARG AAA CA  1 ? 
ATOM   235  C  C   . ARG A 1 30  ? 30.242 42.475 21.853 1.000 41.557  0 31  ARG AAA C   1 ? 
ATOM   236  O  O   . ARG A 1 30  ? 29.603 43.045 20.965 1.000 43.884  0 31  ARG AAA O   1 ? 
ATOM   237  C  CB  . ARG A 1 30  ? 30.913 43.743 23.833 1.000 44.786  0 31  ARG AAA CB  1 ? 
ATOM   238  C  CG  . ARG A 1 30  ? 29.788 44.766 23.751 1.000 48.794  0 31  ARG AAA CG  1 ? 
ATOM   239  C  CD  . ARG A 1 30  ? 29.152 44.984 25.112 1.000 46.634  0 31  ARG AAA CD  1 ? 
ATOM   240  N  NE  . ARG A 1 30  ? 28.071 45.955 25.051 1.000 48.897  0 31  ARG AAA NE  1 ? 
ATOM   241  C  CZ  . ARG A 1 30  ? 26.833 45.684 24.657 1.000 47.847  0 31  ARG AAA CZ  1 ? 
ATOM   242  N  NH1 . ARG A 1 30  ? 26.498 44.468 24.274 1.000 48.108  0 31  ARG AAA NH1 1 ? 
ATOM   243  N  NH2 . ARG A 1 30  ? 25.929 46.633 24.638 1.000 50.857  0 31  ARG AAA NH2 1 ? 
ATOM   244  N  N   . ASP A 1 31  ? 30.016 41.249 22.299 1.000 49.061  0 32  ASP AAA N   1 ? 
ATOM   245  C  CA  . ASP A 1 31  ? 28.865 40.423 21.887 1.000 49.032  0 32  ASP AAA CA  1 ? 
ATOM   246  C  C   . ASP A 1 31  ? 28.923 40.349 20.365 1.000 45.617  0 32  ASP AAA C   1 ? 
ATOM   247  O  O   . ASP A 1 31  ? 29.994 39.996 19.855 1.000 46.839  0 32  ASP AAA O   1 ? 
ATOM   248  C  CB  . ASP A 1 31  ? 27.590 40.999 22.511 1.000 53.620  0 32  ASP AAA CB  1 ? 
ATOM   249  C  CG  . ASP A 1 31  ? 27.635 40.943 24.040 1.000 57.747  0 32  ASP AAA CG  1 ? 
ATOM   250  O  OD1 . ASP A 1 31  ? 27.885 39.842 24.591 1.000 59.885  0 32  ASP AAA OD1 1 ? 
ATOM   251  O  OD2 . ASP A 1 31  ? 27.467 41.995 24.676 1.000 59.095  0 32  ASP AAA OD2 1 ? 
ATOM   252  N  N   . HIS A 1 32  ? 27.825 40.679 19.692 1.000 41.325  0 33  HIS AAA N   1 ? 
ATOM   253  C  CA  . HIS A 1 32  ? 27.721 40.720 18.211 1.000 44.651  0 33  HIS AAA CA  1 ? 
ATOM   254  C  C   . HIS A 1 32  ? 27.582 42.179 17.754 1.000 41.528  0 33  HIS AAA C   1 ? 
ATOM   255  O  O   . HIS A 1 32  ? 26.977 42.406 16.691 1.000 40.768  0 33  HIS AAA O   1 ? 
ATOM   256  C  CB  . HIS A 1 32  ? 26.523 39.861 17.768 1.000 48.417  0 33  HIS AAA CB  1 ? 
ATOM   257  C  CG  . HIS A 1 32  ? 26.618 38.479 18.304 1.000 54.134  0 33  HIS AAA CG  1 ? 
ATOM   258  N  ND1 . HIS A 1 32  ? 27.316 37.493 17.644 1.000 52.812  0 33  HIS AAA ND1 1 ? 
ATOM   259  C  CD2 . HIS A 1 32  ? 26.172 37.946 19.464 1.000 53.973  0 33  HIS AAA CD2 1 ? 
ATOM   260  C  CE1 . HIS A 1 32  ? 27.271 36.395 18.361 1.000 53.598  0 33  HIS AAA CE1 1 ? 
ATOM   261  N  NE2 . HIS A 1 32  ? 26.596 36.659 19.491 1.000 53.963  0 33  HIS AAA NE2 1 ? 
ATOM   262  N  N   . LEU A 1 33  ? 28.071 43.124 18.564 1.000 37.728  0 34  LEU AAA N   1 ? 
ATOM   263  C  CA  . LEU A 1 33  ? 27.888 44.584 18.343 1.000 41.748  0 34  LEU AAA CA  1 ? 
ATOM   264  C  C   . LEU A 1 33  ? 29.163 45.152 17.714 1.000 40.566  0 34  LEU AAA C   1 ? 
ATOM   265  O  O   . LEU A 1 33  ? 30.266 44.953 18.276 1.000 39.822  0 34  LEU AAA O   1 ? 
ATOM   266  C  CB  . LEU A 1 33  ? 27.623 45.238 19.689 1.000 43.505  0 34  LEU AAA CB  1 ? 
ATOM   267  C  CG  . LEU A 1 33  ? 27.160 46.675 19.638 1.000 52.779  0 34  LEU AAA CG  1 ? 
ATOM   268  C  CD1 . LEU A 1 33  ? 25.796 46.776 18.972 1.000 58.175  0 34  LEU AAA CD1 1 ? 
ATOM   269  C  CD2 . LEU A 1 33  ? 27.107 47.226 21.045 1.000 57.293  0 34  LEU AAA CD2 1 ? 
ATOM   270  N  N   . ALA A 1 34  ? 29.034 45.877 16.615 1.000 38.892  0 35  ALA AAA N   1 ? 
ATOM   271  C  CA  . ALA A 1 34  ? 30.211 46.529 16.023 1.000 39.060  0 35  ALA AAA CA  1 ? 
ATOM   272  C  C   . ALA A 1 34  ? 29.886 47.971 15.658 1.000 36.775  0 35  ALA AAA C   1 ? 
ATOM   273  O  O   . ALA A 1 34  ? 28.697 48.372 15.617 1.000 35.138  0 35  ALA AAA O   1 ? 
ATOM   274  C  CB  . ALA A 1 34  ? 30.697 45.722 14.843 1.000 40.726  0 35  ALA AAA CB  1 ? 
ATOM   275  N  N   . VAL A 1 35  ? 30.933 48.734 15.385 1.000 32.650  0 36  VAL AAA N   1 ? 
ATOM   276  C  CA  . VAL A 1 35  ? 30.769 50.159 15.032 1.000 36.412  0 36  VAL AAA CA  1 ? 
ATOM   277  C  C   . VAL A 1 35  ? 31.494 50.412 13.711 1.000 34.735  0 36  VAL AAA C   1 ? 
ATOM   278  O  O   . VAL A 1 35  ? 32.571 49.829 13.493 1.000 35.207  0 36  VAL AAA O   1 ? 
ATOM   279  C  CB  . VAL A 1 35  ? 31.205 51.053 16.206 1.000 35.745  0 36  VAL AAA CB  1 ? 
ATOM   280  C  CG1 . VAL A 1 35  ? 32.700 51.036 16.444 1.000 38.378  0 36  VAL AAA CG1 1 ? 
ATOM   281  C  CG2 . VAL A 1 35  ? 30.729 52.460 16.006 1.000 42.496  0 36  VAL AAA CG2 1 ? 
ATOM   282  N  N   . LEU A 1 36  ? 30.859 51.208 12.860 1.000 32.978  0 37  LEU AAA N   1 ? 
ATOM   283  C  CA  . LEU A 1 36  ? 31.354 51.631 11.537 1.000 36.696  0 37  LEU AAA CA  1 ? 
ATOM   284  C  C   . LEU A 1 36  ? 31.161 53.127 11.403 1.000 33.916  0 37  LEU AAA C   1 ? 
ATOM   285  O  O   . LEU A 1 36  ? 30.246 53.675 12.010 1.000 37.185  0 37  LEU AAA O   1 ? 
ATOM   286  C  CB  . LEU A 1 36  ? 30.487 50.991 10.460 1.000 45.355  0 37  LEU AAA CB  1 ? 
ATOM   287  C  CG  . LEU A 1 36  ? 30.698 49.511 10.228 1.000 47.129  0 37  LEU AAA CG  1 ? 
ATOM   288  C  CD1 . LEU A 1 36  ? 29.478 48.938 9.529  1.000 50.741  0 37  LEU AAA CD1 1 ? 
ATOM   289  C  CD2 . LEU A 1 36  ? 31.963 49.316 9.429  1.000 50.580  0 37  LEU AAA CD2 1 ? 
ATOM   290  N  N   . PRO A 1 37  ? 31.882 53.787 10.479 1.000 32.440  0 38  PRO AAA N   1 ? 
ATOM   291  C  CA  . PRO A 1 37  ? 31.520 55.148 10.046 1.000 34.293  0 38  PRO AAA CA  1 ? 
ATOM   292  C  C   . PRO A 1 37  ? 30.105 55.169 9.452  1.000 35.597  0 38  PRO AAA C   1 ? 
ATOM   293  O  O   . PRO A 1 37  ? 29.769 54.239 8.717  1.000 31.445  0 38  PRO AAA O   1 ? 
ATOM   294  C  CB  . PRO A 1 37  ? 32.523 55.477 8.945  1.000 35.387  0 38  PRO AAA CB  1 ? 
ATOM   295  C  CG  . PRO A 1 37  ? 33.633 54.461 9.106  1.000 35.447  0 38  PRO AAA CG  1 ? 
ATOM   296  C  CD  . PRO A 1 37  ? 33.021 53.232 9.744  1.000 34.129  0 38  PRO AAA CD  1 ? 
ATOM   297  N  N   . ARG A 1 38  ? 29.306 56.177 9.792  1.000 36.783  0 39  ARG AAA N   1 ? 
ATOM   298  C  CA  . ARG A 1 38  ? 27.914 56.299 9.314  1.000 36.517  0 39  ARG AAA CA  1 ? 
ATOM   299  C  C   . ARG A 1 38  ? 27.890 56.158 7.792  1.000 39.362  0 39  ARG AAA C   1 ? 
ATOM   300  O  O   . ARG A 1 38  ? 26.967 55.482 7.248  1.000 35.815  0 39  ARG AAA O   1 ? 
ATOM   301  C  CB  . ARG A 1 38  ? 27.296 57.638 9.718  1.000 38.548  0 39  ARG AAA CB  1 ? 
ATOM   302  C  CG  . ARG A 1 38  ? 25.804 57.735 9.414  1.000 36.176  0 39  ARG AAA CG  1 ? 
ATOM   303  C  CD  . ARG A 1 38  ? 25.243 59.136 9.293  1.000 37.153  0 39  ARG AAA CD  1 ? 
ATOM   304  N  NE  . ARG A 1 38  ? 26.110 60.005 8.485  1.000 53.153  0 39  ARG AAA NE  1 ? 
ATOM   305  C  CZ  . ARG A 1 38  ? 26.328 59.926 7.148  1.000 58.972  0 39  ARG AAA CZ  1 ? 
ATOM   306  N  NH1 . ARG A 1 38  ? 27.154 60.781 6.557  1.000 56.991  0 39  ARG AAA NH1 1 ? 
ATOM   307  N  NH2 . ARG A 1 38  ? 25.762 58.987 6.401  1.000 58.230  0 39  ARG AAA NH2 1 ? 
ATOM   308  N  N   . HIS A 1 39  ? 28.860 56.767 7.113  1.000 38.227  0 40  HIS AAA N   1 ? 
ATOM   309  C  CA  . HIS A 1 39  ? 28.809 56.894 5.637  1.000 34.992  0 40  HIS AAA CA  1 ? 
ATOM   310  C  C   . HIS A 1 39  ? 29.146 55.565 4.982  1.000 35.848  0 40  HIS AAA C   1 ? 
ATOM   311  O  O   . HIS A 1 39  ? 28.948 55.481 3.786  1.000 44.363  0 40  HIS AAA O   1 ? 
ATOM   312  C  CB  . HIS A 1 39  ? 29.660 58.054 5.134  1.000 35.840  0 40  HIS AAA CB  1 ? 
ATOM   313  C  CG  . HIS A 1 39  ? 31.130 57.946 5.366  1.000 36.319  0 40  HIS AAA CG  1 ? 
ATOM   314  N  ND1 . HIS A 1 39  ? 31.745 58.476 6.500  1.000 33.327  0 40  HIS AAA ND1 1 ? 
ATOM   315  C  CD2 . HIS A 1 39  ? 32.121 57.498 4.567  1.000 38.126  0 40  HIS AAA CD2 1 ? 
ATOM   316  C  CE1 . HIS A 1 39  ? 33.050 58.324 6.394  1.000 39.661  0 40  HIS AAA CE1 1 ? 
ATOM   317  N  NE2 . HIS A 1 39  ? 33.317 57.745 5.216  1.000 39.557  0 40  HIS AAA NE2 1 ? 
ATOM   318  N  N   . SER A 1 40  ? 29.536 54.534 5.714  1.000 34.513  0 41  SER AAA N   1 ? 
ATOM   319  C  CA  . SER A 1 40  ? 29.572 53.158 5.141  1.000 38.285  0 41  SER AAA CA  1 ? 
ATOM   320  C  C   . SER A 1 40  ? 28.163 52.673 4.778  1.000 38.563  0 41  SER AAA C   1 ? 
ATOM   321  O  O   . SER A 1 40  ? 28.047 51.722 3.962  1.000 37.384  0 41  SER AAA O   1 ? 
ATOM   322  C  CB  . SER A 1 40  ? 30.213 52.154 6.058  1.000 36.384  0 41  SER AAA CB  1 ? 
ATOM   323  O  OG  . SER A 1 40  ? 29.509 52.050 7.279  1.000 38.202  0 41  SER AAA OG  1 ? 
ATOM   324  N  N   . GLN A 1 41  ? 27.150 53.219 5.443  1.000 38.160  0 42  GLN AAA N   1 ? 
ATOM   325  C  CA  . GLN A 1 41  ? 25.715 52.928 5.200  1.000 41.697  0 42  GLN AAA CA  1 ? 
ATOM   326  C  C   . GLN A 1 41  ? 25.474 51.427 5.076  1.000 39.621  0 42  GLN AAA C   1 ? 
ATOM   327  O  O   . GLN A 1 41  ? 25.041 50.958 4.057  1.000 40.590  0 42  GLN AAA O   1 ? 
ATOM   328  C  CB  . GLN A 1 41  ? 25.280 53.697 3.966  1.000 44.031  0 42  GLN AAA CB  1 ? 
ATOM   329  C  CG  . GLN A 1 41  ? 24.712 55.055 4.345  1.000 57.869  0 42  GLN AAA CG  1 ? 
ATOM   330  C  CD  . GLN A 1 41  ? 24.887 56.036 3.227  1.000 63.218  0 42  GLN AAA CD  1 ? 
ATOM   331  O  OE1 . GLN A 1 41  ? 24.691 55.702 2.066  1.000 70.212  0 42  GLN AAA OE1 1 ? 
ATOM   332  N  NE2 . GLN A 1 41  ? 25.259 57.257 3.576  1.000 77.087  0 42  GLN AAA NE2 1 ? 
ATOM   333  N  N   . PRO A 1 42  ? 25.707 50.619 6.116  1.000 40.380  0 43  PRO AAA N   1 ? 
ATOM   334  C  CA  . PRO A 1 42  ? 25.480 49.179 6.010  1.000 42.747  0 43  PRO AAA CA  1 ? 
ATOM   335  C  C   . PRO A 1 42  ? 23.989 48.889 5.746  1.000 45.197  0 43  PRO AAA C   1 ? 
ATOM   336  O  O   . PRO A 1 42  ? 23.136 49.588 6.256  1.000 39.456  0 43  PRO AAA O   1 ? 
ATOM   337  C  CB  . PRO A 1 42  ? 26.004 48.667 7.365  1.000 40.841  0 43  PRO AAA CB  1 ? 
ATOM   338  C  CG  . PRO A 1 42  ? 25.817 49.847 8.307  1.000 40.015  0 43  PRO AAA CG  1 ? 
ATOM   339  C  CD  . PRO A 1 42  ? 26.169 51.032 7.446  1.000 39.679  0 43  PRO AAA CD  1 ? 
ATOM   340  N  N   . GLY A 1 43  ? 23.715 47.900 4.891  1.000 42.879  0 44  GLY AAA N   1 ? 
ATOM   341  C  CA  . GLY A 1 43  ? 22.358 47.419 4.608  1.000 41.554  0 44  GLY AAA CA  1 ? 
ATOM   342  C  C   . GLY A 1 43  ? 22.012 46.186 5.423  1.000 43.577  0 44  GLY AAA C   1 ? 
ATOM   343  O  O   . GLY A 1 43  ? 22.311 46.133 6.639  1.000 47.038  0 44  GLY AAA O   1 ? 
ATOM   344  N  N   . LYS A 1 44  ? 21.387 45.229 4.763  1.000 43.572  0 45  LYS AAA N   1 ? 
ATOM   345  C  CA  . LYS A 1 44  ? 20.808 44.010 5.364  1.000 43.757  0 45  LYS AAA CA  1 ? 
ATOM   346  C  C   . LYS A 1 44  ? 21.911 42.978 5.519  1.000 43.948  0 45  LYS AAA C   1 ? 
ATOM   347  O  O   . LYS A 1 44  ? 21.831 42.111 6.409  1.000 41.024  0 45  LYS AAA O   1 ? 
ATOM   348  C  CB  . LYS A 1 44  ? 19.711 43.507 4.433  1.000 52.238  0 45  LYS AAA CB  1 ? 
ATOM   349  C  CG  . LYS A 1 44  ? 18.812 44.605 3.881  1.000 65.879  0 45  LYS AAA CG  1 ? 
ATOM   350  C  CD  . LYS A 1 44  ? 17.484 44.088 3.387  1.000 77.880  0 45  LYS AAA CD  1 ? 
ATOM   351  C  CE  . LYS A 1 44  ? 16.530 43.788 4.527  1.000 92.469  0 45  LYS AAA CE  1 ? 
ATOM   352  N  NZ  . LYS A 1 44  ? 15.447 42.860 4.113  1.000 106.435 0 45  LYS AAA NZ  1 ? 
ATOM   353  N  N   . THR A 1 45  ? 22.912 43.050 4.650  1.000 39.698  0 46  THR AAA N   1 ? 
ATOM   354  C  CA  . THR A 1 45  ? 24.113 42.190 4.744  1.000 38.869  0 46  THR AAA CA  1 ? 
ATOM   355  C  C   . THR A 1 45  ? 25.388 43.020 4.572  1.000 37.935  0 46  THR AAA C   1 ? 
ATOM   356  O  O   . THR A 1 45  ? 25.347 44.181 4.082  1.000 38.988  0 46  THR AAA O   1 ? 
ATOM   357  C  CB  . THR A 1 45  ? 24.051 41.067 3.711  1.000 44.001  0 46  THR AAA CB  1 ? 
ATOM   358  O  OG1 . THR A 1 45  ? 23.968 41.785 2.488  1.000 44.762  0 46  THR AAA OG1 1 ? 
ATOM   359  C  CG2 . THR A 1 45  ? 22.880 40.124 3.897  1.000 46.236  0 46  THR AAA CG2 1 ? 
ATOM   360  N  N   . ILE A 1 46  ? 26.488 42.460 5.033  1.000 40.587  0 47  ILE AAA N   1 ? 
ATOM   361  C  CA  . ILE A 1 46  ? 27.817 43.082 4.877  1.000 40.148  0 47  ILE AAA CA  1 ? 
ATOM   362  C  C   . ILE A 1 46  ? 28.844 41.960 4.690  1.000 42.352  0 47  ILE AAA C   1 ? 
ATOM   363  O  O   . ILE A 1 46  ? 28.734 40.932 5.368  1.000 42.644  0 47  ILE AAA O   1 ? 
ATOM   364  C  CB  . ILE A 1 46  ? 28.085 44.007 6.080  1.000 41.675  0 47  ILE AAA CB  1 ? 
ATOM   365  C  CG1 . ILE A 1 46  ? 29.366 44.819 5.903  1.000 44.541  0 47  ILE AAA CG1 1 ? 
ATOM   366  C  CG2 . ILE A 1 46  ? 28.084 43.254 7.393  1.000 39.538  0 47  ILE AAA CG2 1 ? 
ATOM   367  C  CD1 . ILE A 1 46  ? 29.601 45.788 7.032  1.000 46.412  0 47  ILE AAA CD1 1 ? 
ATOM   368  N  N   . TRP A 1 47  ? 29.779 42.173 3.764  1.000 39.643  0 48  TRP AAA N   1 ? 
ATOM   369  C  CA  . TRP A 1 47  ? 31.022 41.384 3.620  1.000 42.580  0 48  TRP AAA CA  1 ? 
ATOM   370  C  C   . TRP A 1 47  ? 31.909 41.658 4.840  1.000 40.614  0 48  TRP AAA C   1 ? 
ATOM   371  O  O   . TRP A 1 47  ? 32.340 42.800 5.057  1.000 38.065  0 48  TRP AAA O   1 ? 
ATOM   372  C  CB  . TRP A 1 47  ? 31.697 41.716 2.282  1.000 42.474  0 48  TRP AAA CB  1 ? 
ATOM   373  C  CG  . TRP A 1 47  ? 30.848 41.338 1.111  1.000 46.324  0 48  TRP AAA CG  1 ? 
ATOM   374  C  CD1 . TRP A 1 47  ? 30.124 42.172 0.312  1.000 52.603  0 48  TRP AAA CD1 1 ? 
ATOM   375  C  CD2 . TRP A 1 47  ? 30.570 40.004 0.655  1.000 49.697  0 48  TRP AAA CD2 1 ? 
ATOM   376  N  NE1 . TRP A 1 47  ? 29.445 41.454 -0.634 1.000 55.283  0 48  TRP AAA NE1 1 ? 
ATOM   377  C  CE2 . TRP A 1 47  ? 29.692 40.118 -0.445 1.000 55.597  0 48  TRP AAA CE2 1 ? 
ATOM   378  C  CE3 . TRP A 1 47  ? 31.006 38.734 1.046  1.000 56.122  0 48  TRP AAA CE3 1 ? 
ATOM   379  C  CZ2 . TRP A 1 47  ? 29.219 39.006 -1.146 1.000 48.999  0 48  TRP AAA CZ2 1 ? 
ATOM   380  C  CZ3 . TRP A 1 47  ? 30.553 37.637 0.344  1.000 57.187  0 48  TRP AAA CZ3 1 ? 
ATOM   381  C  CH2 . TRP A 1 47  ? 29.664 37.774 -0.728 1.000 53.569  0 48  TRP AAA CH2 1 ? 
ATOM   382  N  N   . VAL A 1 48  ? 32.122 40.644 5.652  1.000 38.061  0 49  VAL AAA N   1 ? 
ATOM   383  C  CA  . VAL A 1 48  ? 33.099 40.676 6.771  1.000 41.256  0 49  VAL AAA CA  1 ? 
ATOM   384  C  C   . VAL A 1 48  ? 34.188 39.633 6.490  1.000 42.979  0 49  VAL AAA C   1 ? 
ATOM   385  O  O   . VAL A 1 48  ? 33.875 38.391 6.519  1.000 46.888  0 49  VAL AAA O   1 ? 
ATOM   386  C  CB  . VAL A 1 48  ? 32.381 40.407 8.108  1.000 41.931  0 49  VAL AAA CB  1 ? 
ATOM   387  C  CG1 . VAL A 1 48  ? 33.346 40.502 9.290  1.000 38.127  0 49  VAL AAA CG1 1 ? 
ATOM   388  C  CG2 . VAL A 1 48  ? 31.164 41.308 8.294  1.000 39.021  0 49  VAL AAA CG2 1 ? 
ATOM   389  N  N   . GLU A 1 49  ? 35.414 40.082 6.219  1.000 43.440  0 50  GLU AAA N   1 ? 
ATOM   390  C  CA  . GLU A 1 49  ? 36.534 39.175 5.850  1.000 48.955  0 50  GLU AAA CA  1 ? 
ATOM   391  C  C   . GLU A 1 49  ? 36.036 38.278 4.685  1.000 44.511  0 50  GLU AAA C   1 ? 
ATOM   392  O  O   . GLU A 1 49  ? 36.140 37.051 4.781  1.000 46.191  0 50  GLU AAA O   1 ? 
ATOM   393  C  CB  . GLU A 1 49  ? 36.993 38.344 7.070  1.000 45.762  0 50  GLU AAA CB  1 ? 
ATOM   394  C  CG  . GLU A 1 49  ? 37.509 39.112 8.281  1.000 52.110  0 50  GLU AAA CG  1 ? 
ATOM   395  C  CD  . GLU A 1 49  ? 38.821 39.884 8.132  1.000 60.368  0 50  GLU AAA CD  1 ? 
ATOM   396  O  OE1 . GLU A 1 49  ? 39.584 39.559 7.190  1.000 67.962  0 50  GLU AAA OE1 1 ? 
ATOM   397  O  OE2 . GLU A 1 49  ? 39.094 40.834 8.952  1.000 50.977  0 50  GLU AAA OE2 1 ? 
ATOM   398  N  N   . HIS A 1 50  ? 35.405 38.856 3.663  1.000 50.889  0 51  HIS AAA N   1 ? 
ATOM   399  C  CA  . HIS A 1 50  ? 35.019 38.159 2.400  1.000 57.482  0 51  HIS AAA CA  1 ? 
ATOM   400  C  C   . HIS A 1 50  ? 33.886 37.134 2.596  1.000 58.822  0 51  HIS AAA C   1 ? 
ATOM   401  O  O   . HIS A 1 50  ? 33.610 36.438 1.612  1.000 58.652  0 51  HIS AAA O   1 ? 
ATOM   402  C  CB  . HIS A 1 50  ? 36.272 37.518 1.771  1.000 50.854  0 51  HIS AAA CB  1 ? 
ATOM   403  C  CG  . HIS A 1 50  ? 37.370 38.516 1.672  1.000 54.334  0 51  HIS AAA CG  1 ? 
ATOM   404  N  ND1 . HIS A 1 50  ? 38.482 38.499 2.525  1.000 57.788  0 51  HIS AAA ND1 1 ? 
ATOM   405  C  CD2 . HIS A 1 50  ? 37.473 39.625 0.898  1.000 51.782  0 51  HIS AAA CD2 1 ? 
ATOM   406  C  CE1 . HIS A 1 50  ? 39.250 39.536 2.247  1.000 55.497  0 51  HIS AAA CE1 1 ? 
ATOM   407  N  NE2 . HIS A 1 50  ? 38.641 40.252 1.245  1.000 56.359  0 51  HIS AAA NE2 1 ? 
ATOM   408  N  N   . LYS A 1 51  ? 33.265 37.035 3.782  1.000 52.051  0 52  LYS AAA N   1 ? 
ATOM   409  C  CA  . LYS A 1 51  ? 32.050 36.209 4.024  1.000 54.564  0 52  LYS AAA CA  1 ? 
ATOM   410  C  C   . LYS A 1 51  ? 30.839 37.136 4.180  1.000 48.678  0 52  LYS AAA C   1 ? 
ATOM   411  O  O   . LYS A 1 51  ? 30.927 38.108 4.919  1.000 45.450  0 52  LYS AAA O   1 ? 
ATOM   412  C  CB  . LYS A 1 51  ? 32.113 35.346 5.298  1.000 64.120  0 52  LYS AAA CB  1 ? 
ATOM   413  C  CG  . LYS A 1 51  ? 33.467 34.773 5.711  1.000 79.590  0 52  LYS AAA CG  1 ? 
ATOM   414  C  CD  . LYS A 1 51  ? 34.396 34.310 4.590  1.000 90.462  0 52  LYS AAA CD  1 ? 
ATOM   415  C  CE  . LYS A 1 51  ? 33.792 33.299 3.638  1.000 97.876  0 52  LYS AAA CE  1 ? 
ATOM   416  N  NZ  . LYS A 1 51  ? 33.160 32.181 4.371  1.000 103.610 0 52  LYS AAA NZ  1 ? 
ATOM   417  N  N   . LEU A 1 52  ? 29.723 36.779 3.562  1.000 47.276  0 53  LEU AAA N   1 ? 
ATOM   418  C  CA  . LEU A 1 52  ? 28.432 37.490 3.672  1.000 47.220  0 53  LEU AAA CA  1 ? 
ATOM   419  C  C   . LEU A 1 52  ? 27.825 37.254 5.042  1.000 43.881  0 53  LEU AAA C   1 ? 
ATOM   420  O  O   . LEU A 1 52  ? 27.628 36.111 5.412  1.000 47.029  0 53  LEU AAA O   1 ? 
ATOM   421  C  CB  . LEU A 1 52  ? 27.466 37.022 2.598  1.000 46.298  0 53  LEU AAA CB  1 ? 
ATOM   422  C  CG  . LEU A 1 52  ? 26.370 38.040 2.307  1.000 55.061  0 53  LEU AAA CG  1 ? 
ATOM   423  C  CD1 . LEU A 1 52  ? 26.977 39.376 1.855  1.000 52.264  0 53  LEU AAA CD1 1 ? 
ATOM   424  C  CD2 . LEU A 1 52  ? 25.404 37.508 1.262  1.000 53.481  0 53  LEU AAA CD2 1 ? 
ATOM   425  N  N   . VAL A 1 53  ? 27.524 38.333 5.742  1.000 42.376  0 54  VAL AAA N   1 ? 
ATOM   426  C  CA  . VAL A 1 53  ? 27.024 38.321 7.141  1.000 42.080  0 54  VAL AAA CA  1 ? 
ATOM   427  C  C   . VAL A 1 53  ? 25.774 39.196 7.195  1.000 46.758  0 54  VAL AAA C   1 ? 
ATOM   428  O  O   . VAL A 1 53  ? 25.777 40.330 6.629  1.000 42.017  0 54  VAL AAA O   1 ? 
ATOM   429  C  CB  . VAL A 1 53  ? 28.074 38.829 8.137  1.000 42.342  0 54  VAL AAA CB  1 ? 
ATOM   430  C  CG1 . VAL A 1 53  ? 27.491 38.928 9.530  1.000 47.615  0 54  VAL AAA CG1 1 ? 
ATOM   431  C  CG2 . VAL A 1 53  ? 29.322 37.975 8.132  1.000 45.883  0 54  VAL AAA CG2 1 ? 
ATOM   432  N  N   . ARG A 1 54  ? 24.744 38.682 7.852  1.000 44.354  0 55  ARG AAA N   1 ? 
ATOM   433  C  CA  . ARG A 1 54  ? 23.466 39.397 8.020  1.000 48.108  0 55  ARG AAA CA  1 ? 
ATOM   434  C  C   . ARG A 1 54  ? 23.643 40.429 9.117  1.000 40.855  0 55  ARG AAA C   1 ? 
ATOM   435  O  O   . ARG A 1 54  ? 24.236 40.102 10.185 1.000 39.541  0 55  ARG AAA O   1 ? 
ATOM   436  C  CB  . ARG A 1 54  ? 22.323 38.473 8.447  1.000 53.598  0 55  ARG AAA CB  1 ? 
ATOM   437  C  CG  . ARG A 1 54  ? 21.412 38.047 7.312  1.000 69.567  0 55  ARG AAA CG  1 ? 
ATOM   438  C  CD  . ARG A 1 54  ? 21.821 36.729 6.670  1.000 85.918  0 55  ARG AAA CD  1 ? 
ATOM   439  N  NE  . ARG A 1 54  ? 20.664 35.989 6.156  1.000 100.171 0 55  ARG AAA NE  1 ? 
ATOM   440  C  CZ  . ARG A 1 54  ? 19.796 35.295 6.899  1.000 101.952 0 55  ARG AAA CZ  1 ? 
ATOM   441  N  NH1 . ARG A 1 54  ? 19.944 35.231 8.214  1.000 104.352 0 55  ARG AAA NH1 1 ? 
ATOM   442  N  NH2 . ARG A 1 54  ? 18.783 34.666 6.319  1.000 100.962 0 55  ARG AAA NH2 1 ? 
ATOM   443  N  N   . ILE A 1 55  ? 23.080 41.602 8.876  1.000 39.772  0 56  ILE AAA N   1 ? 
ATOM   444  C  CA  . ILE A 1 55  ? 22.906 42.642 9.914  1.000 38.747  0 56  ILE AAA CA  1 ? 
ATOM   445  C  C   . ILE A 1 55  ? 21.498 42.477 10.482 1.000 41.060  0 56  ILE AAA C   1 ? 
ATOM   446  O  O   . ILE A 1 55  ? 20.522 42.788 9.794  1.000 45.147  0 56  ILE AAA O   1 ? 
ATOM   447  C  CB  . ILE A 1 55  ? 23.161 44.022 9.293  1.000 41.145  0 56  ILE AAA CB  1 ? 
ATOM   448  C  CG1 . ILE A 1 55  ? 24.621 44.096 8.827  1.000 42.683  0 56  ILE AAA CG1 1 ? 
ATOM   449  C  CG2 . ILE A 1 55  ? 22.780 45.122 10.289 1.000 43.564  0 56  ILE AAA CG2 1 ? 
ATOM   450  C  CD1 . ILE A 1 55  ? 24.969 45.310 7.997  1.000 44.136  0 56  ILE AAA CD1 1 ? 
ATOM   451  N  N   . VAL A 1 56  ? 21.422 42.044 11.728 1.000 41.753  0 57  VAL AAA N   1 ? 
ATOM   452  C  CA  . VAL A 1 56  ? 20.167 41.958 12.514 1.000 45.597  0 57  VAL AAA CA  1 ? 
ATOM   453  C  C   . VAL A 1 56  ? 19.582 43.360 12.707 1.000 51.123  0 57  VAL AAA C   1 ? 
ATOM   454  O  O   . VAL A 1 56  ? 18.353 43.469 12.793 1.000 55.912  0 57  VAL AAA O   1 ? 
ATOM   455  C  CB  . VAL A 1 56  ? 20.465 41.316 13.876 1.000 47.873  0 57  VAL AAA CB  1 ? 
ATOM   456  C  CG1 . VAL A 1 56  ? 19.186 41.115 14.670 1.000 46.213  0 57  VAL AAA CG1 1 ? 
ATOM   457  C  CG2 . VAL A 1 56  ? 21.237 40.015 13.708 1.000 50.088  0 57  VAL AAA CG2 1 ? 
ATOM   458  N  N   . ASP A 1 57  ? 20.440 44.373 12.887 1.000 51.352  0 58  ASP AAA N   1 ? 
ATOM   459  C  CA  . ASP A 1 57  ? 20.028 45.728 13.323 1.000 46.785  0 58  ASP AAA CA  1 ? 
ATOM   460  C  C   . ASP A 1 57  ? 21.200 46.700 13.161 1.000 42.776  0 58  ASP AAA C   1 ? 
ATOM   461  O  O   . ASP A 1 57  ? 22.352 46.274 13.314 1.000 44.036  0 58  ASP AAA O   1 ? 
ATOM   462  C  CB  . ASP A 1 57  ? 19.582 45.698 14.786 1.000 56.995  0 58  ASP AAA CB  1 ? 
ATOM   463  C  CG  . ASP A 1 57  ? 18.638 46.826 15.175 1.000 71.636  0 58  ASP AAA CG  1 ? 
ATOM   464  O  OD1 . ASP A 1 57  ? 18.376 47.711 14.334 1.000 70.028  0 58  ASP AAA OD1 1 ? 
ATOM   465  O  OD2 . ASP A 1 57  ? 18.156 46.803 16.319 1.000 91.308  0 58  ASP AAA OD2 1 ? 
ATOM   466  N  N   . ALA A 1 58  ? 20.882 47.956 12.883 1.000 39.488  0 59  ALA AAA N   1 ? 
ATOM   467  C  CA  . ALA A 1 58  ? 21.824 49.062 12.635 1.000 42.444  0 59  ALA AAA CA  1 ? 
ATOM   468  C  C   . ALA A 1 58  ? 21.180 50.344 13.154 1.000 42.218  0 59  ALA AAA C   1 ? 
ATOM   469  O  O   . ALA A 1 58  ? 19.994 50.524 12.904 1.000 46.669  0 59  ALA AAA O   1 ? 
ATOM   470  C  CB  . ALA A 1 58  ? 22.124 49.177 11.162 1.000 41.724  0 59  ALA AAA CB  1 ? 
ATOM   471  N  N   . VAL A 1 59  ? 21.927 51.187 13.852 1.000 36.081  0 60  VAL AAA N   1 ? 
ATOM   472  C  CA  . VAL A 1 59  ? 21.436 52.509 14.339 1.000 38.567  0 60  VAL AAA CA  1 ? 
ATOM   473  C  C   . VAL A 1 59  ? 22.522 53.535 14.058 1.000 34.529  0 60  VAL AAA C   1 ? 
ATOM   474  O  O   . VAL A 1 59  ? 23.662 53.239 14.478 1.000 34.813  0 60  VAL AAA O   1 ? 
ATOM   475  C  CB  . VAL A 1 59  ? 21.177 52.523 15.849 1.000 36.853  0 60  VAL AAA CB  1 ? 
ATOM   476  C  CG1 . VAL A 1 59  ? 20.157 53.605 16.180 1.000 41.702  0 60  VAL AAA CG1 1 ? 
ATOM   477  C  CG2 . VAL A 1 59  ? 20.801 51.174 16.372 1.000 46.925  0 60  VAL AAA CG2 1 ? 
ATOM   478  N  N   . GLU A 1 60  ? 22.164 54.663 13.447 1.000 36.504  0 61  GLU AAA N   1 ? 
ATOM   479  C  CA  . GLU A 1 60  ? 23.044 55.851 13.248 1.000 39.246  0 61  GLU AAA CA  1 ? 
ATOM   480  C  C   . GLU A 1 60  ? 23.029 56.670 14.538 1.000 36.032  0 61  GLU AAA C   1 ? 
ATOM   481  O  O   . GLU A 1 60  ? 21.954 57.099 14.961 1.000 39.443  0 61  GLU AAA O   1 ? 
ATOM   482  C  CB  . GLU A 1 60  ? 22.614 56.659 12.030 1.000 39.251  0 61  GLU AAA CB  1 ? 
ATOM   483  C  CG  . GLU A 1 60  ? 22.487 55.805 10.778 1.000 49.464  0 61  GLU AAA CG  1 ? 
ATOM   484  C  CD  . GLU A 1 60  ? 22.322 56.548 9.456  1.000 48.788  0 61  GLU AAA CD  1 ? 
ATOM   485  O  OE1 . GLU A 1 60  ? 21.745 57.637 9.472  1.000 58.347  0 61  GLU AAA OE1 1 ? 
ATOM   486  O  OE2 . GLU A 1 60  ? 22.792 56.029 8.413  1.000 57.189  0 61  GLU AAA OE2 1 ? 
ATOM   487  N  N   . LEU A 1 61  ? 24.151 56.749 15.230 1.000 34.512  0 62  LEU AAA N   1 ? 
ATOM   488  C  CA  . LEU A 1 61  ? 24.202 57.399 16.561 1.000 35.180  0 62  LEU AAA CA  1 ? 
ATOM   489  C  C   . LEU A 1 61  ? 24.080 58.922 16.429 1.000 36.164  0 62  LEU AAA C   1 ? 
ATOM   490  O  O   . LEU A 1 61  ? 24.569 59.486 15.453 1.000 36.941  0 62  LEU AAA O   1 ? 
ATOM   491  C  CB  . LEU A 1 61  ? 25.479 56.981 17.273 1.000 33.007  0 62  LEU AAA CB  1 ? 
ATOM   492  C  CG  . LEU A 1 61  ? 25.641 55.485 17.519 1.000 34.034  0 62  LEU AAA CG  1 ? 
ATOM   493  C  CD1 . LEU A 1 61  ? 26.762 55.269 18.506 1.000 34.701  0 62  LEU AAA CD1 1 ? 
ATOM   494  C  CD2 . LEU A 1 61  ? 24.351 54.872 18.018 1.000 36.022  0 62  LEU AAA CD2 1 ? 
ATOM   495  N  N   . VAL A 1 62  ? 23.418 59.553 17.395 1.000 36.756  0 63  VAL AAA N   1 ? 
ATOM   496  C  CA  . VAL A 1 62  ? 23.203 61.031 17.449 1.000 37.181  0 63  VAL AAA CA  1 ? 
ATOM   497  C  C   . VAL A 1 62  ? 23.561 61.519 18.852 1.000 34.153  0 63  VAL AAA C   1 ? 
ATOM   498  O  O   . VAL A 1 62  ? 23.543 60.733 19.780 1.000 32.413  0 63  VAL AAA O   1 ? 
ATOM   499  C  CB  . VAL A 1 62  ? 21.756 61.402 17.088 1.000 36.459  0 63  VAL AAA CB  1 ? 
ATOM   500  C  CG1 . VAL A 1 62  ? 21.480 61.051 15.647 1.000 35.262  0 63  VAL AAA CG1 1 ? 
ATOM   501  C  CG2 . VAL A 1 62  ? 20.726 60.739 18.009 1.000 35.744  0 63  VAL AAA CG2 1 ? 
ATOM   502  N  N   . ASP A 1 63  ? 23.878 62.789 18.993 1.000 31.595  0 64  ASP AAA N   1 ? 
ATOM   503  C  CA  . ASP A 1 63  ? 23.998 63.409 20.328 1.000 37.038  0 64  ASP AAA CA  1 ? 
ATOM   504  C  C   . ASP A 1 63  ? 22.577 63.717 20.869 1.000 36.251  0 64  ASP AAA C   1 ? 
ATOM   505  O  O   . ASP A 1 63  ? 21.595 63.408 20.177 1.000 38.060  0 64  ASP AAA O   1 ? 
ATOM   506  C  CB  . ASP A 1 63  ? 24.980 64.574 20.232 1.000 36.095  0 64  ASP AAA CB  1 ? 
ATOM   507  C  CG  . ASP A 1 63  ? 24.389 65.901 19.813 1.000 35.284  0 64  ASP AAA CG  1 ? 
ATOM   508  O  OD1 . ASP A 1 63  ? 23.167 65.977 19.501 1.000 42.010  0 64  ASP AAA OD1 1 ? 
ATOM   509  O  OD2 . ASP A 1 63  ? 25.145 66.868 19.868 1.000 42.413  0 64  ASP AAA OD2 1 ? 
ATOM   510  N  N   . GLU A 1 64  ? 22.482 64.178 22.116 1.000 41.396  0 65  GLU AAA N   1 ? 
ATOM   511  C  CA  . GLU A 1 64  ? 21.239 64.487 22.891 1.000 44.203  0 65  GLU AAA CA  1 ? 
ATOM   512  C  C   . GLU A 1 64  ? 20.232 65.251 22.017 1.000 39.442  0 65  GLU AAA C   1 ? 
ATOM   513  O  O   . GLU A 1 64  ? 19.039 64.944 22.079 1.000 35.659  0 65  GLU AAA O   1 ? 
ATOM   514  C  CB  . GLU A 1 64  ? 21.599 65.316 24.131 1.000 49.105  0 65  GLU AAA CB  1 ? 
ATOM   515  C  CG  . GLU A 1 64  ? 22.704 66.394 23.893 1.000 62.394  0 65  GLU AAA CG  1 ? 
ATOM   516  C  CD  . GLU A 1 64  ? 24.141 65.943 24.176 1.000 63.096  0 65  GLU AAA CD  1 ? 
ATOM   517  O  OE1 . GLU A 1 64  ? 25.113 66.732 23.909 1.000 74.880  0 65  GLU AAA OE1 1 ? 
ATOM   518  O  OE2 . GLU A 1 64  ? 24.294 64.794 24.725 1.000 77.585  0 65  GLU AAA OE2 1 ? 
ATOM   519  N  N   . GLN A 1 65  ? 20.710 66.219 21.238 1.000 36.462  0 66  GLN AAA N   1 ? 
ATOM   520  C  CA  . GLN A 1 65  ? 19.861 67.039 20.350 1.000 40.651  0 66  GLN AAA CA  1 ? 
ATOM   521  C  C   . GLN A 1 65  ? 19.684 66.414 18.974 1.000 42.365  0 66  GLN AAA C   1 ? 
ATOM   522  O  O   . GLN A 1 65  ? 19.132 67.116 18.157 1.000 39.345  0 66  GLN AAA O   1 ? 
ATOM   523  C  CB  . GLN A 1 65  ? 20.449 68.433 20.183 1.000 40.037  0 66  GLN AAA CB  1 ? 
ATOM   524  C  CG  . GLN A 1 65  ? 20.512 69.138 21.516 1.000 44.761  0 66  GLN AAA CG  1 ? 
ATOM   525  C  CD  . GLN A 1 65  ? 20.560 70.636 21.368 1.000 45.047  0 66  GLN AAA CD  1 ? 
ATOM   526  O  OE1 . GLN A 1 65  ? 19.908 71.232 20.515 1.000 53.133  0 66  GLN AAA OE1 1 ? 
ATOM   527  N  NE2 . GLN A 1 65  ? 21.332 71.249 22.234 1.000 42.965  0 66  GLN AAA NE2 1 ? 
ATOM   528  N  N   . GLY A 1 66  ? 20.079 65.152 18.734 1.000 40.686  0 67  GLY AAA N   1 ? 
ATOM   529  C  CA  . GLY A 1 66  ? 19.853 64.521 17.425 1.000 39.344  0 67  GLY AAA CA  1 ? 
ATOM   530  C  C   . GLY A 1 66  ? 20.896 64.935 16.399 1.000 40.493  0 67  GLY AAA C   1 ? 
ATOM   531  O  O   . GLY A 1 66  ? 20.731 64.622 15.238 1.000 36.854  0 67  GLY AAA O   1 ? 
ATOM   532  N  N   . VAL A 1 67  ? 22.010 65.511 16.805 1.000 36.939  0 68  VAL AAA N   1 ? 
ATOM   533  C  CA  . VAL A 1 67  ? 23.066 65.823 15.808 1.000 39.437  0 68  VAL AAA CA  1 ? 
ATOM   534  C  C   . VAL A 1 67  ? 23.898 64.567 15.497 1.000 35.967  0 68  VAL AAA C   1 ? 
ATOM   535  O  O   . VAL A 1 67  ? 24.323 63.832 16.403 1.000 37.460  0 68  VAL AAA O   1 ? 
ATOM   536  C  CB  . VAL A 1 67  ? 23.924 67.008 16.264 1.000 41.241  0 68  VAL AAA CB  1 ? 
ATOM   537  C  CG1 . VAL A 1 67  ? 24.978 67.364 15.228 1.000 39.893  0 68  VAL AAA CG1 1 ? 
ATOM   538  C  CG2 . VAL A 1 67  ? 23.009 68.188 16.560 1.000 45.191  0 68  VAL AAA CG2 1 ? 
ATOM   539  N  N   . ASN A 1 68  ? 24.211 64.393 14.222 1.000 36.378  0 69  ASN AAA N   1 ? 
ATOM   540  C  CA  . ASN A 1 68  ? 25.078 63.307 13.724 1.000 33.179  0 69  ASN AAA CA  1 ? 
ATOM   541  C  C   . ASN A 1 68  ? 26.372 63.205 14.549 1.000 35.217  0 69  ASN AAA C   1 ? 
ATOM   542  O  O   . ASN A 1 68  ? 27.009 64.239 14.801 1.000 35.975  0 69  ASN AAA O   1 ? 
ATOM   543  C  CB  . ASN A 1 68  ? 25.344 63.568 12.252 1.000 33.379  0 69  ASN AAA CB  1 ? 
ATOM   544  C  CG  . ASN A 1 68  ? 26.234 62.534 11.613 1.000 35.269  0 69  ASN AAA CG  1 ? 
ATOM   545  O  OD1 . ASN A 1 68  ? 26.001 61.342 11.773 1.000 34.158  0 69  ASN AAA OD1 1 ? 
ATOM   546  N  ND2 . ASN A 1 68  ? 27.276 62.986 10.928 1.000 35.133  0 69  ASN AAA ND2 1 ? 
ATOM   547  N  N   . LEU A 1 69  ? 26.759 61.975 14.902 1.000 34.705  0 70  LEU AAA N   1 ? 
ATOM   548  C  CA  . LEU A 1 69  ? 28.099 61.626 15.432 1.000 31.611  0 70  LEU AAA CA  1 ? 
ATOM   549  C  C   . LEU A 1 69  ? 28.952 60.883 14.400 1.000 31.762  0 70  LEU AAA C   1 ? 
ATOM   550  O  O   . LEU A 1 69  ? 30.117 60.573 14.716 1.000 33.772  0 70  LEU AAA O   1 ? 
ATOM   551  C  CB  . LEU A 1 69  ? 27.885 60.748 16.654 1.000 34.198  0 70  LEU AAA CB  1 ? 
ATOM   552  C  CG  . LEU A 1 69  ? 27.124 61.435 17.785 1.000 33.887  0 70  LEU AAA CG  1 ? 
ATOM   553  C  CD1 . LEU A 1 69  ? 26.913 60.464 18.924 1.000 36.662  0 70  LEU AAA CD1 1 ? 
ATOM   554  C  CD2 . LEU A 1 69  ? 27.899 62.649 18.273 1.000 32.438  0 70  LEU AAA CD2 1 ? 
ATOM   555  N  N   . GLU A 1 70  ? 28.400 60.590 13.216 1.000 32.436  0 71  GLU AAA N   1 ? 
ATOM   556  C  CA  . GLU A 1 70  ? 29.097 59.900 12.091 1.000 34.103  0 71  GLU AAA CA  1 ? 
ATOM   557  C  C   . GLU A 1 70  ? 29.488 58.468 12.488 1.000 31.865  0 71  GLU AAA C   1 ? 
ATOM   558  O  O   . GLU A 1 70  ? 30.508 57.956 11.991 1.000 34.789  0 71  GLU AAA O   1 ? 
ATOM   559  C  CB  . GLU A 1 70  ? 30.301 60.745 11.618 1.000 32.073  0 71  GLU AAA CB  1 ? 
ATOM   560  C  CG  . GLU A 1 70  ? 30.752 60.433 10.184 1.000 36.324  0 71  GLU AAA CG  1 ? 
ATOM   561  C  CD  . GLU A 1 70  ? 29.676 60.375 9.098  1.000 39.186  0 71  GLU AAA CD  1 ? 
ATOM   562  O  OE1 . GLU A 1 70  ? 28.616 60.992 9.268  1.000 41.175  0 71  GLU AAA OE1 1 ? 
ATOM   563  O  OE2 . GLU A 1 70  ? 29.894 59.691 8.088  1.000 43.892  0 71  GLU AAA OE2 1 ? 
ATOM   564  N  N   . LEU A 1 71  ? 28.709 57.822 13.339 1.000 29.840  0 72  LEU AAA N   1 ? 
ATOM   565  C  CA  . LEU A 1 71  ? 28.900 56.406 13.718 1.000 30.996  0 72  LEU AAA CA  1 ? 
ATOM   566  C  C   . LEU A 1 71  ? 27.603 55.645 13.497 1.000 33.664  0 72  LEU AAA C   1 ? 
ATOM   567  O  O   . LEU A 1 71  ? 26.563 56.192 13.903 1.000 33.563  0 72  LEU AAA O   1 ? 
ATOM   568  C  CB  . LEU A 1 71  ? 29.249 56.307 15.204 1.000 32.532  0 72  LEU AAA CB  1 ? 
ATOM   569  C  CG  . LEU A 1 71  ? 30.585 56.890 15.625 1.000 37.542  0 72  LEU AAA CG  1 ? 
ATOM   570  C  CD1 . LEU A 1 71  ? 30.635 57.007 17.144 1.000 39.330  0 72  LEU AAA CD1 1 ? 
ATOM   571  C  CD2 . LEU A 1 71  ? 31.748 56.071 15.077 1.000 37.220  0 72  LEU AAA CD2 1 ? 
ATOM   572  N  N   . THR A 1 72  ? 27.696 54.374 13.108 1.000 33.246  0 73  THR AAA N   1 ? 
ATOM   573  C  CA  . THR A 1 72  ? 26.555 53.437 13.046 1.000 31.744  0 73  THR AAA CA  1 ? 
ATOM   574  C  C   . THR A 1 72  ? 26.913 52.198 13.850 1.000 34.185  0 73  THR AAA C   1 ? 
ATOM   575  O  O   . THR A 1 72  ? 28.020 51.647 13.618 1.000 34.443  0 73  THR AAA O   1 ? 
ATOM   576  C  CB  . THR A 1 72  ? 26.247 53.080 11.596 1.000 34.416  0 73  THR AAA CB  1 ? 
ATOM   577  O  OG1 . THR A 1 72  ? 25.849 54.278 10.946 1.000 36.476  0 73  THR AAA OG1 1 ? 
ATOM   578  C  CG2 . THR A 1 72  ? 25.146 52.048 11.478 1.000 39.612  0 73  THR AAA CG2 1 ? 
ATOM   579  N  N   . LEU A 1 73  ? 26.041 51.808 14.779 1.000 38.251  0 74  LEU AAA N   1 ? 
ATOM   580  C  CA  . LEU A 1 73  ? 26.166 50.560 15.570 1.000 38.272  0 74  LEU AAA CA  1 ? 
ATOM   581  C  C   . LEU A 1 73  ? 25.469 49.470 14.795 1.000 36.673  0 74  LEU AAA C   1 ? 
ATOM   582  O  O   . LEU A 1 73  ? 24.294 49.666 14.541 1.000 34.158  0 74  LEU AAA O   1 ? 
ATOM   583  C  CB  . LEU A 1 73  ? 25.447 50.669 16.905 1.000 40.182  0 74  LEU AAA CB  1 ? 
ATOM   584  C  CG  . LEU A 1 73  ? 26.189 51.342 18.032 1.000 49.938  0 74  LEU AAA CG  1 ? 
ATOM   585  C  CD1 . LEU A 1 73  ? 25.363 51.250 19.298 1.000 54.193  0 74  LEU AAA CD1 1 ? 
ATOM   586  C  CD2 . LEU A 1 73  ? 27.537 50.696 18.253 1.000 59.960  0 74  LEU AAA CD2 1 ? 
ATOM   587  N  N   . VAL A 1 74  ? 26.125 48.343 14.562 1.000 37.018  0 75  VAL AAA N   1 ? 
ATOM   588  C  CA  . VAL A 1 74  ? 25.473 47.173 13.916 1.000 38.241  0 75  VAL AAA CA  1 ? 
ATOM   589  C  C   . VAL A 1 74  ? 25.494 45.977 14.871 1.000 41.941  0 75  VAL AAA C   1 ? 
ATOM   590  O  O   . VAL A 1 74  ? 26.500 45.733 15.603 1.000 38.842  0 75  VAL AAA O   1 ? 
ATOM   591  C  CB  . VAL A 1 74  ? 26.125 46.835 12.571 1.000 41.239  0 75  VAL AAA CB  1 ? 
ATOM   592  C  CG1 . VAL A 1 74  ? 25.851 47.923 11.538 1.000 43.675  0 75  VAL AAA CG1 1 ? 
ATOM   593  C  CG2 . VAL A 1 74  ? 27.616 46.569 12.735 1.000 44.173  0 75  VAL AAA CG2 1 ? 
ATOM   594  N  N   . THR A 1 75  ? 24.381 45.253 14.854 1.000 43.820  0 76  THR AAA N   1 ? 
ATOM   595  C  CA  . THR A 1 75  ? 24.277 43.905 15.432 1.000 45.907  0 76  THR AAA CA  1 ? 
ATOM   596  C  C   . THR A 1 75  ? 24.397 42.917 14.277 1.000 44.868  0 76  THR AAA C   1 ? 
ATOM   597  O  O   . THR A 1 75  ? 23.613 43.014 13.294 1.000 43.533  0 76  THR AAA O   1 ? 
ATOM   598  C  CB  . THR A 1 75  ? 22.991 43.738 16.245 1.000 48.807  0 76  THR AAA CB  1 ? 
ATOM   599  O  OG1 . THR A 1 75  ? 22.901 44.889 17.078 1.000 44.739  0 76  THR AAA OG1 1 ? 
ATOM   600  C  CG2 . THR A 1 75  ? 23.006 42.480 17.084 1.000 46.369  0 76  THR AAA CG2 1 ? 
ATOM   601  N  N   . LEU A 1 76  ? 25.398 42.054 14.389 1.000 39.841  0 77  LEU AAA N   1 ? 
ATOM   602  C  CA  . LEU A 1 76  ? 25.822 41.112 13.337 1.000 43.619  0 77  LEU AAA CA  1 ? 
ATOM   603  C  C   . LEU A 1 76  ? 25.299 39.726 13.703 1.000 47.089  0 77  LEU AAA C   1 ? 
ATOM   604  O  O   . LEU A 1 76  ? 25.319 39.398 14.894 1.000 44.583  0 77  LEU AAA O   1 ? 
ATOM   605  C  CB  . LEU A 1 76  ? 27.349 41.117 13.294 1.000 49.346  0 77  LEU AAA CB  1 ? 
ATOM   606  C  CG  . LEU A 1 76  ? 27.971 42.408 12.758 1.000 48.267  0 77  LEU AAA CG  1 ? 
ATOM   607  C  CD1 . LEU A 1 76  ? 29.466 42.248 12.646 1.000 55.157  0 77  LEU AAA CD1 1 ? 
ATOM   608  C  CD2 . LEU A 1 76  ? 27.378 42.772 11.412 1.000 48.731  0 77  LEU AAA CD2 1 ? 
ATOM   609  N  N   . ASP A 1 77  ? 24.858 38.965 12.712 1.000 45.696  0 78  ASP AAA N   1 ? 
ATOM   610  C  CA  . ASP A 1 77  ? 24.501 37.531 12.863 1.000 53.668  0 78  ASP AAA CA  1 ? 
ATOM   611  C  C   . ASP A 1 77  ? 25.769 36.676 12.756 1.000 50.389  0 78  ASP AAA C   1 ? 
ATOM   612  O  O   . ASP A 1 77  ? 25.885 35.932 11.781 1.000 55.525  0 78  ASP AAA O   1 ? 
ATOM   613  C  CB  . ASP A 1 77  ? 23.450 37.154 11.820 1.000 59.442  0 78  ASP AAA CB  1 ? 
ATOM   614  C  CG  . ASP A 1 77  ? 22.909 35.744 11.993 1.000 66.298  0 78  ASP AAA CG  1 ? 
ATOM   615  O  OD1 . ASP A 1 77  ? 22.771 35.298 13.176 1.000 54.199  0 78  ASP AAA OD1 1 ? 
ATOM   616  O  OD2 . ASP A 1 77  ? 22.659 35.100 10.945 1.000 62.725  0 78  ASP AAA OD2 1 ? 
ATOM   617  N  N   . THR A 1 78  ? 26.697 36.824 13.704 1.000 50.265  0 79  THR AAA N   1 ? 
ATOM   618  C  CA  . THR A 1 78  ? 28.002 36.105 13.782 1.000 53.881  0 79  THR AAA CA  1 ? 
ATOM   619  C  C   . THR A 1 78  ? 27.850 34.906 14.734 1.000 52.892  0 79  THR AAA C   1 ? 
ATOM   620  O  O   . THR A 1 78  ? 26.952 34.942 15.580 1.000 52.531  0 79  THR AAA O   1 ? 
ATOM   621  C  CB  . THR A 1 78  ? 29.107 37.044 14.292 1.000 53.947  0 79  THR AAA CB  1 ? 
ATOM   622  O  OG1 . THR A 1 78  ? 28.585 37.844 15.357 1.000 59.460  0 79  THR AAA OG1 1 ? 
ATOM   623  C  CG2 . THR A 1 78  ? 29.637 37.978 13.232 1.000 57.212  0 79  THR AAA CG2 1 ? 
ATOM   624  N  N   . ASN A 1 79  ? 28.717 33.899 14.664 1.000 59.640  0 80  ASN AAA N   1 ? 
ATOM   625  C  CA  . ASN A 1 79  ? 28.618 32.716 15.565 1.000 65.314  0 80  ASN AAA CA  1 ? 
ATOM   626  C  C   . ASN A 1 79  ? 29.225 33.030 16.924 1.000 65.718  0 80  ASN AAA C   1 ? 
ATOM   627  O  O   . ASN A 1 79  ? 28.588 32.684 17.926 1.000 67.844  0 80  ASN AAA O   1 ? 
ATOM   628  C  CB  . ASN A 1 79  ? 29.319 31.474 15.029 1.000 76.728  0 80  ASN AAA CB  1 ? 
ATOM   629  C  CG  . ASN A 1 79  ? 28.839 31.130 13.642 1.000 85.350  0 80  ASN AAA CG  1 ? 
ATOM   630  O  OD1 . ASN A 1 79  ? 29.642 31.090 12.709 1.000 80.683  0 80  ASN AAA OD1 1 ? 
ATOM   631  N  ND2 . ASN A 1 79  ? 27.531 30.957 13.499 1.000 83.422  0 80  ASN AAA ND2 1 ? 
ATOM   632  N  N   . GLU A 1 80  ? 30.397 33.670 16.944 1.000 66.866  0 81  GLU AAA N   1 ? 
ATOM   633  C  CA  . GLU A 1 80  ? 31.173 33.941 18.187 1.000 64.439  0 81  GLU AAA CA  1 ? 
ATOM   634  C  C   . GLU A 1 80  ? 31.035 35.429 18.523 1.000 59.399  0 81  GLU AAA C   1 ? 
ATOM   635  O  O   . GLU A 1 80  ? 30.641 36.215 17.641 1.000 54.040  0 81  GLU AAA O   1 ? 
ATOM   636  C  CB  . GLU A 1 80  ? 32.621 33.457 18.052 1.000 79.230  0 81  GLU AAA CB  1 ? 
ATOM   637  C  CG  . GLU A 1 80  ? 33.380 34.053 16.872 1.000 95.478  0 81  GLU AAA CG  1 ? 
ATOM   638  C  CD  . GLU A 1 80  ? 32.913 33.640 15.479 1.000 104.380 0 81  GLU AAA CD  1 ? 
ATOM   639  O  OE1 . GLU A 1 80  ? 33.205 32.484 15.084 1.000 112.110 0 81  GLU AAA OE1 1 ? 
ATOM   640  O  OE2 . GLU A 1 80  ? 32.239 34.470 14.794 1.000 83.781  0 81  GLU AAA OE2 1 ? 
ATOM   641  N  N   . LYS A 1 81  ? 31.259 35.764 19.789 1.000 52.089  0 82  LYS AAA N   1 ? 
ATOM   642  C  CA  . LYS A 1 81  ? 31.212 37.138 20.325 1.000 57.076  0 82  LYS AAA CA  1 ? 
ATOM   643  C  C   . LYS A 1 81  ? 32.603 37.762 20.228 1.000 52.713  0 82  LYS AAA C   1 ? 
ATOM   644  O  O   . LYS A 1 81  ? 33.585 37.025 20.292 1.000 51.843  0 82  LYS AAA O   1 ? 
ATOM   645  C  CB  . LYS A 1 81  ? 30.728 37.101 21.771 1.000 56.093  0 82  LYS AAA CB  1 ? 
ATOM   646  C  CG  . LYS A 1 81  ? 29.302 36.587 21.927 1.000 60.619  0 82  LYS AAA CG  1 ? 
ATOM   647  C  CD  . LYS A 1 81  ? 28.916 36.255 23.338 1.000 63.148  0 82  LYS AAA CD  1 ? 
ATOM   648  C  CE  . LYS A 1 81  ? 29.824 36.906 24.357 1.000 74.172  0 82  LYS AAA CE  1 ? 
ATOM   649  N  NZ  . LYS A 1 81  ? 29.340 36.684 25.738 1.000 88.782  0 82  LYS AAA NZ  1 ? 
ATOM   650  N  N   . PHE A 1 82  ? 32.662 39.074 20.034 1.000 47.140  0 83  PHE AAA N   1 ? 
ATOM   651  C  CA  . PHE A 1 82  ? 33.907 39.883 20.086 1.000 46.546  0 83  PHE AAA CA  1 ? 
ATOM   652  C  C   . PHE A 1 82  ? 34.362 39.933 21.547 1.000 44.090  0 83  PHE AAA C   1 ? 
ATOM   653  O  O   . PHE A 1 82  ? 33.488 40.032 22.381 1.000 44.447  0 83  PHE AAA O   1 ? 
ATOM   654  C  CB  . PHE A 1 82  ? 33.628 41.313 19.604 1.000 45.012  0 83  PHE AAA CB  1 ? 
ATOM   655  C  CG  . PHE A 1 82  ? 33.171 41.403 18.175 1.000 41.165  0 83  PHE AAA CG  1 ? 
ATOM   656  C  CD1 . PHE A 1 82  ? 34.007 41.020 17.147 1.000 40.010  0 83  PHE AAA CD1 1 ? 
ATOM   657  C  CD2 . PHE A 1 82  ? 31.901 41.861 17.863 1.000 39.816  0 83  PHE AAA CD2 1 ? 
ATOM   658  C  CE1 . PHE A 1 82  ? 33.586 41.091 15.828 1.000 38.256  0 83  PHE AAA CE1 1 ? 
ATOM   659  C  CE2 . PHE A 1 82  ? 31.485 41.937 16.542 1.000 38.992  0 83  PHE AAA CE2 1 ? 
ATOM   660  C  CZ  . PHE A 1 82  ? 32.325 41.542 15.530 1.000 38.018  0 83  PHE AAA CZ  1 ? 
ATOM   661  N  N   . ARG A 1 83  ? 35.661 39.889 21.828 1.000 42.980  0 84  ARG AAA N   1 ? 
ATOM   662  C  CA  . ARG A 1 83  ? 36.224 40.266 23.147 1.000 44.726  0 84  ARG AAA CA  1 ? 
ATOM   663  C  C   . ARG A 1 83  ? 35.625 41.631 23.514 1.000 48.093  0 84  ARG AAA C   1 ? 
ATOM   664  O  O   . ARG A 1 83  ? 35.531 42.527 22.661 1.000 49.945  0 84  ARG AAA O   1 ? 
ATOM   665  C  CB  . ARG A 1 83  ? 37.764 40.254 23.130 1.000 42.590  0 84  ARG AAA CB  1 ? 
ATOM   666  C  CG  . ARG A 1 83  ? 38.446 41.306 24.012 1.000 52.146  0 84  ARG AAA CG  1 ? 
ATOM   667  C  CD  . ARG A 1 83  ? 39.956 41.135 24.148 1.000 56.819  0 84  ARG AAA CD  1 ? 
ATOM   668  N  NE  . ARG A 1 83  ? 40.842 42.308 24.261 1.000 65.699  0 84  ARG AAA NE  1 ? 
ATOM   669  C  CZ  . ARG A 1 83  ? 41.447 42.966 23.244 1.000 76.441  0 84  ARG AAA CZ  1 ? 
ATOM   670  N  NH1 . ARG A 1 83  ? 42.241 43.993 23.500 1.000 96.407  0 84  ARG AAA NH1 1 ? 
ATOM   671  N  NH2 . ARG A 1 83  ? 41.239 42.661 21.973 1.000 70.110  0 84  ARG AAA NH2 1 ? 
ATOM   672  N  N   . ASP A 1 84  ? 35.177 41.771 24.746 1.000 45.718  0 85  ASP AAA N   1 ? 
ATOM   673  C  CA  . ASP A 1 84  ? 34.549 43.020 25.207 1.000 47.640  0 85  ASP AAA CA  1 ? 
ATOM   674  C  C   . ASP A 1 84  ? 35.688 43.997 25.483 1.000 51.577  0 85  ASP AAA C   1 ? 
ATOM   675  O  O   . ASP A 1 84  ? 36.496 43.717 26.378 1.000 49.122  0 85  ASP AAA O   1 ? 
ATOM   676  C  CB  . ASP A 1 84  ? 33.649 42.781 26.420 1.000 48.087  0 85  ASP AAA CB  1 ? 
ATOM   677  C  CG  . ASP A 1 84  ? 32.974 44.043 26.939 1.000 55.470  0 85  ASP AAA CG  1 ? 
ATOM   678  O  OD1 . ASP A 1 84  ? 33.400 45.183 26.579 1.000 56.933  0 85  ASP AAA OD1 1 ? 
ATOM   679  O  OD2 . ASP A 1 84  ? 32.027 43.882 27.687 1.000 58.706  0 85  ASP AAA OD2 1 ? 
ATOM   680  N  N   . ILE A 1 85  ? 35.731 45.102 24.748 1.000 41.402  0 86  ILE AAA N   1 ? 
ATOM   681  C  CA  . ILE A 1 85  ? 36.797 46.119 24.909 1.000 42.431  0 86  ILE AAA CA  1 ? 
ATOM   682  C  C   . ILE A 1 85  ? 36.199 47.398 25.491 1.000 42.755  0 86  ILE AAA C   1 ? 
ATOM   683  O  O   . ILE A 1 85  ? 36.881 48.434 25.504 1.000 37.451  0 86  ILE AAA O   1 ? 
ATOM   684  C  CB  . ILE A 1 85  ? 37.485 46.338 23.552 1.000 49.244  0 86  ILE AAA CB  1 ? 
ATOM   685  C  CG1 . ILE A 1 85  ? 36.486 46.728 22.459 1.000 46.841  0 86  ILE AAA CG1 1 ? 
ATOM   686  C  CG2 . ILE A 1 85  ? 38.302 45.100 23.193 1.000 45.382  0 86  ILE AAA CG2 1 ? 
ATOM   687  C  CD1 . ILE A 1 85  ? 37.146 47.263 21.233 1.000 55.933  0 86  ILE AAA CD1 1 ? 
ATOM   688  N  N   . THR A 1 86  ? 34.959 47.349 25.977 1.000 43.588  0 87  THR AAA N   1 ? 
ATOM   689  C  CA  . THR A 1 86  ? 34.281 48.578 26.455 1.000 43.717  0 87  THR AAA CA  1 ? 
ATOM   690  C  C   . THR A 1 86  ? 35.097 49.194 27.601 1.000 36.722  0 87  THR AAA C   1 ? 
ATOM   691  O  O   . THR A 1 86  ? 35.102 50.408 27.685 1.000 41.189  0 87  THR AAA O   1 ? 
ATOM   692  C  CB  . THR A 1 86  ? 32.810 48.332 26.809 1.000 43.605  0 87  THR AAA CB  1 ? 
ATOM   693  O  OG1 . THR A 1 86  ? 32.751 47.252 27.728 1.000 42.347  0 87  THR AAA OG1 1 ? 
ATOM   694  C  CG2 . THR A 1 86  ? 31.965 47.987 25.606 1.000 45.921  0 87  THR AAA CG2 1 ? 
ATOM   695  N  N   . ARG A 1 87  ? 35.780 48.409 28.434 1.000 40.778  0 88  ARG AAA N   1 ? 
ATOM   696  C  CA  . ARG A 1 87  ? 36.584 48.985 29.542 1.000 45.682  0 88  ARG AAA CA  1 ? 
ATOM   697  C  C   . ARG A 1 87  ? 37.765 49.779 28.959 1.000 49.477  0 88  ARG AAA C   1 ? 
ATOM   698  O  O   . ARG A 1 87  ? 38.281 50.617 29.697 1.000 48.657  0 88  ARG AAA O   1 ? 
ATOM   699  C  CB  . ARG A 1 87  ? 37.042 47.929 30.540 1.000 46.702  0 88  ARG AAA CB  1 ? 
ATOM   700  C  CG  . ARG A 1 87  ? 38.354 47.260 30.172 1.000 58.485  0 88  ARG AAA CG  1 ? 
ATOM   701  C  CD  . ARG A 1 87  ? 38.690 46.077 31.077 1.000 61.898  0 88  ARG AAA CD  1 ? 
ATOM   702  N  NE  . ARG A 1 87  ? 38.420 44.873 30.307 1.000 66.548  0 88  ARG AAA NE  1 ? 
ATOM   703  C  CZ  . ARG A 1 87  ? 39.330 44.060 29.796 1.000 58.607  0 88  ARG AAA CZ  1 ? 
ATOM   704  N  NH1 . ARG A 1 87  ? 40.611 44.259 30.018 1.000 67.172  0 88  ARG AAA NH1 1 ? 
ATOM   705  N  NH2 . ARG A 1 87  ? 38.952 43.015 29.085 1.000 63.527  0 88  ARG AAA NH2 1 ? 
ATOM   706  N  N   . PHE A 1 88  ? 38.136 49.615 27.680 1.000 42.948  0 89  PHE AAA N   1 ? 
ATOM   707  C  CA  . PHE A 1 88  ? 39.219 50.439 27.066 1.000 44.168  0 89  PHE AAA CA  1 ? 
ATOM   708  C  C   . PHE A 1 88  ? 38.686 51.733 26.462 1.000 45.333  0 89  PHE AAA C   1 ? 
ATOM   709  O  O   . PHE A 1 88  ? 39.478 52.613 26.075 1.000 41.477  0 89  PHE AAA O   1 ? 
ATOM   710  C  CB  . PHE A 1 88  ? 39.962 49.643 26.007 1.000 44.414  0 89  PHE AAA CB  1 ? 
ATOM   711  C  CG  . PHE A 1 88  ? 40.563 48.394 26.575 1.000 47.297  0 89  PHE AAA CG  1 ? 
ATOM   712  C  CD1 . PHE A 1 88  ? 41.507 48.472 27.589 1.000 47.135  0 89  PHE AAA CD1 1 ? 
ATOM   713  C  CD2 . PHE A 1 88  ? 40.161 47.146 26.135 1.000 50.816  0 89  PHE AAA CD2 1 ? 
ATOM   714  C  CE1 . PHE A 1 88  ? 42.071 47.321 28.119 1.000 47.101  0 89  PHE AAA CE1 1 ? 
ATOM   715  C  CE2 . PHE A 1 88  ? 40.722 46.000 26.678 1.000 50.597  0 89  PHE AAA CE2 1 ? 
ATOM   716  C  CZ  . PHE A 1 88  ? 41.666 46.090 27.674 1.000 44.404  0 89  PHE AAA CZ  1 ? 
ATOM   717  N  N   . ILE A 1 89  ? 37.369 51.875 26.394 1.000 42.013  0 90  ILE AAA N   1 ? 
ATOM   718  C  CA  . ILE A 1 89  ? 36.758 53.107 25.847 1.000 41.885  0 90  ILE AAA CA  1 ? 
ATOM   719  C  C   . ILE A 1 89  ? 36.569 54.094 26.988 1.000 41.311  0 90  ILE AAA C   1 ? 
ATOM   720  O  O   . ILE A 1 89  ? 35.992 53.753 28.004 1.000 46.450  0 90  ILE AAA O   1 ? 
ATOM   721  C  CB  . ILE A 1 89  ? 35.476 52.749 25.094 1.000 37.819  0 90  ILE AAA CB  1 ? 
ATOM   722  C  CG1 . ILE A 1 89  ? 35.818 51.683 24.061 1.000 42.224  0 90  ILE AAA CG1 1 ? 
ATOM   723  C  CG2 . ILE A 1 89  ? 34.875 53.995 24.472 1.000 38.806  0 90  ILE AAA CG2 1 ? 
ATOM   724  C  CD1 . ILE A 1 89  ? 34.662 51.192 23.237 1.000 46.210  0 90  ILE AAA CD1 1 ? 
ATOM   725  N  N   . PRO A 1 90  ? 37.034 55.355 26.863 1.000 41.113  0 91  PRO AAA N   1 ? 
ATOM   726  C  CA  . PRO A 1 90  ? 36.907 56.301 27.956 1.000 41.886  0 91  PRO AAA CA  1 ? 
ATOM   727  C  C   . PRO A 1 90  ? 35.426 56.647 28.161 1.000 45.146  0 91  PRO AAA C   1 ? 
ATOM   728  O  O   . PRO A 1 90  ? 34.687 56.592 27.206 1.000 39.320  0 91  PRO AAA O   1 ? 
ATOM   729  C  CB  . PRO A 1 90  ? 37.711 57.516 27.499 1.000 42.293  0 91  PRO AAA CB  1 ? 
ATOM   730  C  CG  . PRO A 1 90  ? 37.683 57.430 25.993 1.000 41.247  0 91  PRO AAA CG  1 ? 
ATOM   731  C  CD  . PRO A 1 90  ? 37.617 55.961 25.666 1.000 39.216  0 91  PRO AAA CD  1 ? 
ATOM   732  N  N   . GLU A 1 91  ? 35.054 57.004 29.391 1.000 43.592  0 92  GLU AAA N   1 ? 
ATOM   733  C  CA  . GLU A 1 91  ? 33.700 57.520 29.710 1.000 48.809  0 92  GLU AAA CA  1 ? 
ATOM   734  C  C   . GLU A 1 91  ? 33.518 58.919 29.141 1.000 48.499  0 92  GLU AAA C   1 ? 
ATOM   735  O  O   . GLU A 1 91  ? 32.413 59.221 28.706 1.000 47.058  0 92  GLU AAA O   1 ? 
ATOM   736  C  CB  . GLU A 1 91  ? 33.489 57.606 31.206 1.000 48.921  0 92  GLU AAA CB  1 ? 
ATOM   737  C  CG  . GLU A 1 91  ? 33.288 56.261 31.846 1.000 57.514  0 92  GLU AAA CG  1 ? 
ATOM   738  C  CD  . GLU A 1 91  ? 32.753 56.414 33.264 1.000 68.225  0 92  GLU AAA CD  1 ? 
ATOM   739  O  OE1 . GLU A 1 91  ? 33.583 56.441 34.184 1.000 64.786  0 92  GLU AAA OE1 1 ? 
ATOM   740  O  OE2 . GLU A 1 91  ? 31.509 56.569 33.440 1.000 69.671  0 92  GLU AAA OE2 1 ? 
ATOM   741  N  N   . THR A 1 92  ? 34.535 59.772 29.210 1.000 50.323  0 93  THR AAA N   1 ? 
ATOM   742  C  CA  . THR A 1 92  ? 34.444 61.147 28.664 1.000 51.296  0 93  THR AAA CA  1 ? 
ATOM   743  C  C   . THR A 1 92  ? 35.538 61.325 27.608 1.000 48.051  0 93  THR AAA C   1 ? 
ATOM   744  O  O   . THR A 1 92  ? 36.598 60.681 27.695 1.000 48.439  0 93  THR AAA O   1 ? 
ATOM   745  C  CB  . THR A 1 92  ? 34.467 62.216 29.763 1.000 56.380  0 93  THR AAA CB  1 ? 
ATOM   746  O  OG1 . THR A 1 92  ? 35.834 62.299 30.135 1.000 59.370  0 93  THR AAA OG1 1 ? 
ATOM   747  C  CG2 . THR A 1 92  ? 33.608 61.889 30.964 1.000 55.910  0 93  THR AAA CG2 1 ? 
ATOM   748  N  N   . ILE A 1 93  ? 35.265 62.182 26.633 1.000 41.639  0 94  ILE AAA N   1 ? 
ATOM   749  C  CA  . ILE A 1 93  ? 36.177 62.409 25.492 1.000 42.465  0 94  ILE AAA CA  1 ? 
ATOM   750  C  C   . ILE A 1 93  ? 37.313 63.268 26.017 1.000 42.431  0 94  ILE AAA C   1 ? 
ATOM   751  O  O   . ILE A 1 93  ? 37.031 64.339 26.528 1.000 45.592  0 94  ILE AAA O   1 ? 
ATOM   752  C  CB  . ILE A 1 93  ? 35.419 63.030 24.314 1.000 42.938  0 94  ILE AAA CB  1 ? 
ATOM   753  C  CG1 . ILE A 1 93  ? 34.337 62.063 23.833 1.000 46.356  0 94  ILE AAA CG1 1 ? 
ATOM   754  C  CG2 . ILE A 1 93  ? 36.387 63.426 23.202 1.000 43.385  0 94  ILE AAA CG2 1 ? 
ATOM   755  C  CD1 . ILE A 1 93  ? 33.310 62.712 22.943 1.000 51.077  0 94  ILE AAA CD1 1 ? 
ATOM   756  N  N   . SER A 1 94  ? 38.545 62.795 25.895 1.000 45.884  0 95  SER AAA N   1 ? 
ATOM   757  C  CA  . SER A 1 94  ? 39.755 63.539 26.334 1.000 50.069  0 95  SER AAA CA  1 ? 
ATOM   758  C  C   . SER A 1 94  ? 40.767 63.509 25.212 1.000 44.533  0 95  SER AAA C   1 ? 
ATOM   759  O  O   . SER A 1 94  ? 40.792 62.561 24.443 1.000 44.203  0 95  SER AAA O   1 ? 
ATOM   760  C  CB  . SER A 1 94  ? 40.366 62.947 27.591 1.000 45.732  0 95  SER AAA CB  1 ? 
ATOM   761  O  OG  . SER A 1 94  ? 39.381 62.780 28.588 1.000 53.163  0 95  SER AAA OG  1 ? 
ATOM   762  N  N   . PRO A 1 95  ? 41.670 64.502 25.153 1.000 46.263  0 96  PRO AAA N   1 ? 
ATOM   763  C  CA  . PRO A 1 95  ? 42.783 64.459 24.212 1.000 44.884  0 96  PRO AAA CA  1 ? 
ATOM   764  C  C   . PRO A 1 95  ? 43.749 63.329 24.583 1.000 39.409  0 96  PRO AAA C   1 ? 
ATOM   765  O  O   . PRO A 1 95  ? 43.690 62.884 25.641 1.000 41.448  0 96  PRO AAA O   1 ? 
ATOM   766  C  CB  . PRO A 1 95  ? 43.410 65.849 24.351 1.000 53.002  0 96  PRO AAA CB  1 ? 
ATOM   767  C  CG  . PRO A 1 95  ? 43.017 66.307 25.749 1.000 51.892  0 96  PRO AAA CG  1 ? 
ATOM   768  C  CD  . PRO A 1 95  ? 41.647 65.716 25.972 1.000 47.549  0 96  PRO AAA CD  1 ? 
ATOM   769  N  N   . ALA A 1 96  ? 44.578 62.864 23.663 1.000 42.394  0 97  ALA AAA N   1 ? 
ATOM   770  C  CA  . ALA A 1 96  ? 45.613 61.851 23.958 1.000 41.061  0 97  ALA AAA CA  1 ? 
ATOM   771  C  C   . ALA A 1 96  ? 46.874 62.146 23.141 1.000 40.256  0 97  ALA AAA C   1 ? 
ATOM   772  O  O   . ALA A 1 96  ? 46.797 62.833 22.106 1.000 43.312  0 97  ALA AAA O   1 ? 
ATOM   773  C  CB  . ALA A 1 96  ? 45.049 60.494 23.672 1.000 42.215  0 97  ALA AAA CB  1 ? 
ATOM   774  N  N   . SER A 1 97  ? 47.999 61.678 23.653 1.000 42.992  0 98  SER AAA N   1 ? 
ATOM   775  C  CA  . SER A 1 97  ? 49.344 61.709 23.038 1.000 45.993  0 98  SER AAA CA  1 ? 
ATOM   776  C  C   . SER A 1 97  ? 49.602 60.363 22.383 1.000 44.139  0 98  SER AAA C   1 ? 
ATOM   777  O  O   . SER A 1 97  ? 49.022 59.358 22.872 1.000 41.717  0 98  SER AAA O   1 ? 
ATOM   778  C  CB  . SER A 1 97  ? 50.381 61.962 24.089 1.000 50.261  0 98  SER AAA CB  1 ? 
ATOM   779  O  OG  . SER A 1 97  ? 50.028 63.103 24.837 1.000 62.726  0 98  SER AAA OG  1 ? 
ATOM   780  N  N   . ASP A 1 98  ? 50.454 60.352 21.356 1.000 42.085  0 99  ASP AAA N   1 ? 
ATOM   781  C  CA  . ASP A 1 98  ? 51.139 59.123 20.868 1.000 52.563  0 99  ASP AAA CA  1 ? 
ATOM   782  C  C   . ASP A 1 98  ? 50.114 58.102 20.361 1.000 44.676  0 99  ASP AAA C   1 ? 
ATOM   783  O  O   . ASP A 1 98  ? 50.215 56.930 20.727 1.000 44.445  0 99  ASP AAA O   1 ? 
ATOM   784  C  CB  . ASP A 1 98  ? 51.986 58.515 21.991 1.000 58.827  0 99  ASP AAA CB  1 ? 
ATOM   785  C  CG  . ASP A 1 98  ? 53.143 59.429 22.379 1.000 72.400  0 99  ASP AAA CG  1 ? 
ATOM   786  O  OD1 . ASP A 1 98  ? 53.836 59.879 21.446 1.000 69.138  0 99  ASP AAA OD1 1 ? 
ATOM   787  O  OD2 . ASP A 1 98  ? 53.315 59.728 23.602 1.000 76.326  0 99  ASP AAA OD2 1 ? 
ATOM   788  N  N   . ALA A 1 99  ? 49.126 58.552 19.600 1.000 37.006  0 100 ALA AAA N   1 ? 
ATOM   789  C  CA  . ALA A 1 99  ? 48.040 57.680 19.137 1.000 34.242  0 100 ALA AAA CA  1 ? 
ATOM   790  C  C   . ALA A 1 99  ? 48.481 56.961 17.867 1.000 36.750  0 100 ALA AAA C   1 ? 
ATOM   791  O  O   . ALA A 1 99  ? 49.304 57.505 17.138 1.000 34.410  0 100 ALA AAA O   1 ? 
ATOM   792  C  CB  . ALA A 1 99  ? 46.808 58.479 18.901 1.000 35.426  0 100 ALA AAA CB  1 ? 
ATOM   793  N  N   . THR A 1 100 ? 47.916 55.779 17.651 1.000 35.432  0 101 THR AAA N   1 ? 
ATOM   794  C  CA  . THR A 1 100 ? 48.050 54.947 16.449 1.000 38.131  0 101 THR AAA CA  1 ? 
ATOM   795  C  C   . THR A 1 100 ? 46.652 54.735 15.871 1.000 37.262  0 101 THR AAA C   1 ? 
ATOM   796  O  O   . THR A 1 100 ? 45.711 54.500 16.613 1.000 40.268  0 101 THR AAA O   1 ? 
ATOM   797  C  CB  . THR A 1 100 ? 48.739 53.618 16.801 1.000 41.168  0 101 THR AAA CB  1 ? 
ATOM   798  O  OG1 . THR A 1 100 ? 50.043 54.021 17.184 1.000 46.290  0 101 THR AAA OG1 1 ? 
ATOM   799  C  CG2 . THR A 1 100 ? 48.859 52.636 15.662 1.000 41.182  0 101 THR AAA CG2 1 ? 
ATOM   800  N  N   . LEU A 1 101 ? 46.566 54.798 14.565 1.000 30.877  0 102 LEU AAA N   1 ? 
ATOM   801  C  CA  . LEU A 1 101 ? 45.398 54.459 13.763 1.000 33.820  0 102 LEU AAA CA  1 ? 
ATOM   802  C  C   . LEU A 1 101 ? 45.632 53.032 13.276 1.000 33.978  0 102 LEU AAA C   1 ? 
ATOM   803  O  O   . LEU A 1 101 ? 46.701 52.753 12.678 1.000 38.918  0 102 LEU AAA O   1 ? 
ATOM   804  C  CB  . LEU A 1 101 ? 45.401 55.506 12.672 1.000 36.610  0 102 LEU AAA CB  1 ? 
ATOM   805  C  CG  . LEU A 1 101 ? 44.212 55.601 11.760 1.000 42.736  0 102 LEU AAA CG  1 ? 
ATOM   806  C  CD1 . LEU A 1 101 ? 42.927 55.701 12.562 1.000 43.515  0 102 LEU AAA CD1 1 ? 
ATOM   807  C  CD2 . LEU A 1 101 ? 44.450 56.814 10.869 1.000 42.434  0 102 LEU AAA CD2 1 ? 
ATOM   808  N  N   . VAL A 1 102 ? 44.742 52.125 13.662 1.000 35.431  0 103 VAL AAA N   1 ? 
ATOM   809  C  CA  . VAL A 1 102 ? 44.796 50.694 13.267 1.000 30.707  0 103 VAL AAA CA  1 ? 
ATOM   810  C  C   . VAL A 1 102 ? 43.764 50.482 12.180 1.000 33.819  0 103 VAL AAA C   1 ? 
ATOM   811  O  O   . VAL A 1 102 ? 42.543 50.604 12.448 1.000 31.656  0 103 VAL AAA O   1 ? 
ATOM   812  C  CB  . VAL A 1 102 ? 44.530 49.796 14.475 1.000 32.741  0 103 VAL AAA CB  1 ? 
ATOM   813  C  CG1 . VAL A 1 102 ? 44.737 48.337 14.122 1.000 33.678  0 103 VAL AAA CG1 1 ? 
ATOM   814  C  CG2 . VAL A 1 102 ? 45.387 50.231 15.660 1.000 32.895  0 103 VAL AAA CG2 1 ? 
ATOM   815  N  N   . ILE A 1 103 ? 44.239 50.127 11.005 1.000 32.454  0 104 ILE AAA N   1 ? 
ATOM   816  C  CA  . ILE A 1 103 ? 43.422 50.047 9.775  1.000 32.537  0 104 ILE AAA CA  1 ? 
ATOM   817  C  C   . ILE A 1 103 ? 43.540 48.636 9.230  1.000 35.978  0 104 ILE AAA C   1 ? 
ATOM   818  O  O   . ILE A 1 103 ? 44.625 48.093 9.376  1.000 34.553  0 104 ILE AAA O   1 ? 
ATOM   819  C  CB  . ILE A 1 103 ? 43.952 51.065 8.765  1.000 35.103  0 104 ILE AAA CB  1 ? 
ATOM   820  C  CG1 . ILE A 1 103 ? 43.762 52.493 9.258  1.000 39.683  0 104 ILE AAA CG1 1 ? 
ATOM   821  C  CG2 . ILE A 1 103 ? 43.367 50.863 7.386  1.000 37.655  0 104 ILE AAA CG2 1 ? 
ATOM   822  C  CD1 . ILE A 1 103 ? 44.878 53.372 8.782  1.000 40.801  0 104 ILE AAA CD1 1 ? 
ATOM   823  N  N   . ASN A 1 104 ? 42.466 48.113 8.614  1.000 37.932  0 105 ASN AAA N   1 ? 
ATOM   824  C  CA  . ASN A 1 104 ? 42.514 46.857 7.822  1.000 40.731  0 105 ASN AAA CA  1 ? 
ATOM   825  C  C   . ASN A 1 104 ? 41.385 46.795 6.782  1.000 42.875  0 105 ASN AAA C   1 ? 
ATOM   826  O  O   . ASN A 1 104 ? 40.286 46.373 7.157  1.000 43.225  0 105 ASN AAA O   1 ? 
ATOM   827  C  CB  . ASN A 1 104 ? 42.465 45.684 8.783  1.000 41.798  0 105 ASN AAA CB  1 ? 
ATOM   828  C  CG  . ASN A 1 104 ? 42.699 44.358 8.100  1.000 44.960  0 105 ASN AAA CG  1 ? 
ATOM   829  O  OD1 . ASN A 1 104 ? 43.135 44.269 6.942  1.000 44.145  0 105 ASN AAA OD1 1 ? 
ATOM   830  N  ND2 . ASN A 1 104 ? 42.372 43.317 8.827  1.000 45.705  0 105 ASN AAA ND2 1 ? 
ATOM   831  N  N   . THR A 1 105 ? 41.657 47.228 5.542  1.000 44.762  0 106 THR AAA N   1 ? 
ATOM   832  C  CA  . THR A 1 105 ? 40.791 47.091 4.339  1.000 47.120  0 106 THR AAA CA  1 ? 
ATOM   833  C  C   . THR A 1 105 ? 41.568 46.458 3.188  1.000 63.443  0 106 THR AAA C   1 ? 
ATOM   834  O  O   . THR A 1 105 ? 42.803 46.364 3.286  1.000 59.431  0 106 THR AAA O   1 ? 
ATOM   835  C  CB  . THR A 1 105 ? 40.228 48.438 3.887  1.000 47.406  0 106 THR AAA CB  1 ? 
ATOM   836  O  OG1 . THR A 1 105 ? 41.165 49.371 3.331  1.000 51.630  0 106 THR AAA OG1 1 ? 
ATOM   837  C  CG2 . THR A 1 105 ? 39.579 49.132 5.058  1.000 47.028  0 106 THR AAA CG2 1 ? 
ATOM   838  N  N   . GLU A 1 106 ? 40.869 46.077 2.118  1.000 69.824  0 107 GLU AAA N   1 ? 
ATOM   839  C  CA  . GLU A 1 106 ? 41.491 45.590 0.856  1.000 74.523  0 107 GLU AAA CA  1 ? 
ATOM   840  C  C   . GLU A 1 106 ? 42.427 46.672 0.312  1.000 61.675  0 107 GLU AAA C   1 ? 
ATOM   841  O  O   . GLU A 1 106 ? 43.571 46.384 0.015  1.000 70.147  0 107 GLU AAA O   1 ? 
ATOM   842  C  CB  . GLU A 1 106 ? 40.404 45.206 -0.152 1.000 87.583  0 107 GLU AAA CB  1 ? 
ATOM   843  C  CG  . GLU A 1 106 ? 39.613 43.979 0.288  1.000 80.726  0 107 GLU AAA CG  1 ? 
ATOM   844  C  CD  . GLU A 1 106 ? 39.291 42.974 -0.808 1.000 90.219  0 107 GLU AAA CD  1 ? 
ATOM   845  O  OE1 . GLU A 1 106 ? 39.251 43.368 -1.994 1.000 83.794  0 107 GLU AAA OE1 1 ? 
ATOM   846  O  OE2 . GLU A 1 106 ? 39.079 41.794 -0.473 1.000 85.911  0 107 GLU AAA OE2 1 ? 
ATOM   847  N  N   . HIS A 1 107 ? 41.969 47.905 0.263  1.000 59.857  0 108 HIS AAA N   1 ? 
ATOM   848  C  CA  . HIS A 1 107 ? 42.793 49.063 -0.171 1.000 71.188  0 108 HIS AAA CA  1 ? 
ATOM   849  C  C   . HIS A 1 107 ? 43.982 49.298 0.780  1.000 63.689  0 108 HIS AAA C   1 ? 
ATOM   850  O  O   . HIS A 1 107 ? 44.984 49.796 0.302  1.000 68.125  0 108 HIS AAA O   1 ? 
ATOM   851  C  CB  . HIS A 1 107 ? 41.874 50.284 -0.390 1.000 78.807  0 108 HIS AAA CB  1 ? 
ATOM   852  C  CG  . HIS A 1 107 ? 40.998 50.127 -1.591 1.000 84.868  0 108 HIS AAA CG  1 ? 
ATOM   853  N  ND1 . HIS A 1 107 ? 40.798 48.871 -2.209 1.000 87.080  0 108 HIS AAA ND1 1 ? 
ATOM   854  C  CD2 . HIS A 1 107 ? 40.269 51.027 -2.281 1.000 71.191  0 108 HIS AAA CD2 1 ? 
ATOM   855  C  CE1 . HIS A 1 107 ? 40.005 49.024 -3.240 1.000 82.740  0 108 HIS AAA CE1 1 ? 
ATOM   856  N  NE2 . HIS A 1 107 ? 39.671 50.343 -3.304 1.000 86.104  0 108 HIS AAA NE2 1 ? 
ATOM   857  N  N   . MET A 1 108 ? 43.871 48.980 2.076  1.000 62.027  0 109 MET AAA N   1 ? 
ATOM   858  C  CA  . MET A 1 108 ? 44.876 49.315 3.123  1.000 48.859  0 109 MET AAA CA  1 ? 
ATOM   859  C  C   . MET A 1 108 ? 44.962 48.156 4.116  1.000 44.883  0 109 MET AAA C   1 ? 
ATOM   860  O  O   . MET A 1 108 ? 44.502 48.226 5.256  1.000 43.727  0 109 MET AAA O   1 ? 
ATOM   861  C  CB  . MET A 1 108 ? 44.543 50.618 3.844  1.000 48.830  0 109 MET AAA CB  1 ? 
ATOM   862  C  CG  . MET A 1 108 ? 44.627 51.852 2.950  1.000 51.405  0 109 MET AAA CG  1 ? 
ATOM   863  S  SD  . MET A 1 108 ? 46.112 52.843 3.234  1.000 58.561  0 109 MET AAA SD  1 ? 
ATOM   864  C  CE  . MET A 1 108 ? 46.254 53.708 1.673  1.000 64.840  0 109 MET AAA CE  1 ? 
ATOM   865  N  N   . PRO A 1 109 ? 45.610 47.039 3.722  1.000 44.738  0 110 PRO AAA N   1 ? 
ATOM   866  C  CA  . PRO A 1 109 ? 45.668 45.849 4.577  1.000 41.845  0 110 PRO AAA CA  1 ? 
ATOM   867  C  C   . PRO A 1 109 ? 46.463 46.090 5.869  1.000 40.987  0 110 PRO AAA C   1 ? 
ATOM   868  O  O   . PRO A 1 109 ? 47.379 46.879 5.803  1.000 43.165  0 110 PRO AAA O   1 ? 
ATOM   869  C  CB  . PRO A 1 109 ? 46.438 44.855 3.699  1.000 47.289  0 110 PRO AAA CB  1 ? 
ATOM   870  C  CG  . PRO A 1 109 ? 47.325 45.754 2.835  1.000 46.221  0 110 PRO AAA CG  1 ? 
ATOM   871  C  CD  . PRO A 1 109 ? 46.412 46.914 2.487  1.000 45.479  0 110 PRO AAA CD  1 ? 
ATOM   872  N  N   . SER A 1 110 ? 46.091 45.409 6.957  1.000 38.116  0 111 SER AAA N   1 ? 
ATOM   873  C  CA  . SER A 1 110 ? 46.653 45.495 8.331  1.000 45.066  0 111 SER AAA CA  1 ? 
ATOM   874  C  C   . SER A 1 110 ? 47.807 46.481 8.421  1.000 47.363  0 111 SER AAA C   1 ? 
ATOM   875  O  O   . SER A 1 110 ? 48.953 46.103 8.040  1.000 46.814  0 111 SER AAA O   1 ? 
ATOM   876  C  CB  . SER A 1 110 ? 47.094 44.156 8.787  1.000 44.881  0 111 SER AAA CB  1 ? 
ATOM   877  O  OG  . SER A 1 110 ? 45.952 43.345 8.908  1.000 59.549  0 111 SER AAA OG  1 ? 
ATOM   878  N  N   . MET A 1 111 ? 47.526 47.706 8.865  1.000 41.659  0 112 MET AAA N   1 ? 
ATOM   879  C  CA  . MET A 1 111 ? 48.603 48.702 9.046  1.000 42.514  0 112 MET AAA CA  1 ? 
ATOM   880  C  C   . MET A 1 111 ? 48.386 49.503 10.328 1.000 39.089  0 112 MET AAA C   1 ? 
ATOM   881  O  O   . MET A 1 111 ? 47.247 49.643 10.806 1.000 37.022  0 112 MET AAA O   1 ? 
ATOM   882  C  CB  . MET A 1 111 ? 48.742 49.613 7.815  1.000 44.508  0 112 MET AAA CB  1 ? 
ATOM   883  C  CG  . MET A 1 111 ? 47.678 50.637 7.674  1.000 45.740  0 112 MET AAA CG  1 ? 
ATOM   884  S  SD  . MET A 1 111 ? 47.726 51.431 6.043  1.000 51.059  0 112 MET AAA SD  1 ? 
ATOM   885  C  CE  . MET A 1 111 ? 49.260 52.354 6.036  1.000 48.995  0 112 MET AAA CE  1 ? 
ATOM   886  N  N   . PHE A 1 112 ? 49.492 49.923 10.911 1.000 34.062  0 113 PHE AAA N   1 ? 
ATOM   887  C  CA  . PHE A 1 112 ? 49.545 50.721 12.145 1.000 34.173  0 113 PHE AAA CA  1 ? 
ATOM   888  C  C   . PHE A 1 112 ? 50.151 52.057 11.751 1.000 33.965  0 113 PHE AAA C   1 ? 
ATOM   889  O  O   . PHE A 1 112 ? 51.292 52.068 11.295 1.000 37.170  0 113 PHE AAA O   1 ? 
ATOM   890  C  CB  . PHE A 1 112 ? 50.354 49.997 13.211 1.000 31.500  0 113 PHE AAA CB  1 ? 
ATOM   891  C  CG  . PHE A 1 112 ? 49.959 48.560 13.421 1.000 35.151  0 113 PHE AAA CG  1 ? 
ATOM   892  C  CD1 . PHE A 1 112 ? 48.962 48.219 14.330 1.000 33.609  0 113 PHE AAA CD1 1 ? 
ATOM   893  C  CD2 . PHE A 1 112 ? 50.573 47.539 12.704 1.000 41.067  0 113 PHE AAA CD2 1 ? 
ATOM   894  C  CE1 . PHE A 1 112 ? 48.630 46.892 14.554 1.000 34.354  0 113 PHE AAA CE1 1 ? 
ATOM   895  C  CE2 . PHE A 1 112 ? 50.219 46.206 12.911 1.000 41.900  0 113 PHE AAA CE2 1 ? 
ATOM   896  C  CZ  . PHE A 1 112 ? 49.226 45.890 13.817 1.000 36.725  0 113 PHE AAA CZ  1 ? 
ATOM   897  N  N   . VAL A 1 113 ? 49.385 53.124 11.884 1.000 35.772  0 114 VAL AAA N   1 ? 
ATOM   898  C  CA  . VAL A 1 113 ? 49.831 54.481 11.488 1.000 35.126  0 114 VAL AAA CA  1 ? 
ATOM   899  C  C   . VAL A 1 113 ? 49.917 55.333 12.734 1.000 37.162  0 114 VAL AAA C   1 ? 
ATOM   900  O  O   . VAL A 1 113 ? 48.884 55.753 13.229 1.000 38.516  0 114 VAL AAA O   1 ? 
ATOM   901  C  CB  . VAL A 1 113 ? 48.909 55.119 10.448 1.000 35.950  0 114 VAL AAA CB  1 ? 
ATOM   902  C  CG1 . VAL A 1 113 ? 49.520 56.415 9.964  1.000 41.560  0 114 VAL AAA CG1 1 ? 
ATOM   903  C  CG2 . VAL A 1 113 ? 48.644 54.192 9.277  1.000 36.838  0 114 VAL AAA CG2 1 ? 
ATOM   904  N  N   . PRO A 1 114 ? 51.142 55.691 13.179 1.000 37.366  0 115 PRO AAA N   1 ? 
ATOM   905  C  CA  . PRO A 1 114 ? 51.343 56.697 14.225 1.000 40.132  0 115 PRO AAA CA  1 ? 
ATOM   906  C  C   . PRO A 1 114 ? 50.805 58.070 13.792 1.000 37.863  0 115 PRO AAA C   1 ? 
ATOM   907  O  O   . PRO A 1 114 ? 51.203 58.557 12.789 1.000 36.993  0 115 PRO AAA O   1 ? 
ATOM   908  C  CB  . PRO A 1 114 ? 52.876 56.796 14.354 1.000 39.390  0 115 PRO AAA CB  1 ? 
ATOM   909  C  CG  . PRO A 1 114 ? 53.368 55.521 13.748 1.000 42.600  0 115 PRO AAA CG  1 ? 
ATOM   910  C  CD  . PRO A 1 114 ? 52.420 55.245 12.601 1.000 39.446  0 115 PRO AAA CD  1 ? 
ATOM   911  N  N   . VAL A 1 115 ? 49.864 58.655 14.510 1.000 39.301  0 116 VAL AAA N   1 ? 
ATOM   912  C  CA  . VAL A 1 115 ? 49.263 59.944 14.066 1.000 33.685  0 116 VAL AAA CA  1 ? 
ATOM   913  C  C   . VAL A 1 115 ? 49.614 61.035 15.067 1.000 35.446  0 116 VAL AAA C   1 ? 
ATOM   914  O  O   . VAL A 1 115 ? 49.308 62.169 14.765 1.000 36.359  0 116 VAL AAA O   1 ? 
ATOM   915  C  CB  . VAL A 1 115 ? 47.740 59.836 13.850 1.000 33.898  0 116 VAL AAA CB  1 ? 
ATOM   916  C  CG1 . VAL A 1 115 ? 47.410 58.858 12.739 1.000 36.936  0 116 VAL AAA CG1 1 ? 
ATOM   917  C  CG2 . VAL A 1 115 ? 46.995 59.495 15.119 1.000 30.904  0 116 VAL AAA CG2 1 ? 
ATOM   918  N  N   . GLY A 1 116 ? 50.250 60.712 16.198 1.000 42.068  0 117 GLY AAA N   1 ? 
ATOM   919  C  CA  . GLY A 1 116 ? 50.632 61.711 17.210 1.000 36.809  0 117 GLY AAA CA  1 ? 
ATOM   920  C  C   . GLY A 1 116 ? 49.460 62.056 18.112 1.000 39.730  0 117 GLY AAA C   1 ? 
ATOM   921  O  O   . GLY A 1 116 ? 48.725 61.178 18.502 1.000 45.576  0 117 GLY AAA O   1 ? 
ATOM   922  N  N   . ASP A 1 117 ? 49.313 63.320 18.455 1.000 42.664  0 118 ASP AAA N   1 ? 
ATOM   923  C  CA  . ASP A 1 117 ? 48.297 63.829 19.405 1.000 43.378  0 118 ASP AAA CA  1 ? 
ATOM   924  C  C   . ASP A 1 117 ? 46.925 63.787 18.744 1.000 39.091  0 118 ASP AAA C   1 ? 
ATOM   925  O  O   . ASP A 1 117 ? 46.817 64.107 17.550 1.000 35.906  0 118 ASP AAA O   1 ? 
ATOM   926  C  CB  . ASP A 1 117 ? 48.505 65.311 19.743 1.000 48.149  0 118 ASP AAA CB  1 ? 
ATOM   927  C  CG  . ASP A 1 117 ? 49.742 65.627 20.569 1.000 53.973  0 118 ASP AAA CG  1 ? 
ATOM   928  O  OD1 . ASP A 1 117 ? 50.359 64.652 21.121 1.000 44.881  0 118 ASP AAA OD1 1 ? 
ATOM   929  O  OD2 . ASP A 1 117 ? 50.043 66.871 20.701 1.000 53.048  0 118 ASP AAA OD2 1 ? 
ATOM   930  N  N   . VAL A 1 118 ? 45.915 63.463 19.525 1.000 35.654  0 119 VAL AAA N   1 ? 
ATOM   931  C  CA  . VAL A 1 118 ? 44.496 63.450 19.075 1.000 38.029  0 119 VAL AAA CA  1 ? 
ATOM   932  C  C   . VAL A 1 118 ? 43.760 64.408 19.993 1.000 35.670  0 119 VAL AAA C   1 ? 
ATOM   933  O  O   . VAL A 1 118 ? 43.843 64.202 21.212 1.000 36.882  0 119 VAL AAA O   1 ? 
ATOM   934  C  CB  . VAL A 1 118 ? 43.921 62.029 19.155 1.000 34.359  0 119 VAL AAA CB  1 ? 
ATOM   935  C  CG1 . VAL A 1 118 ? 42.490 61.979 18.638 1.000 36.316  0 119 VAL AAA CG1 1 ? 
ATOM   936  C  CG2 . VAL A 1 118 ? 44.827 61.074 18.408 1.000 37.222  0 119 VAL AAA CG2 1 ? 
ATOM   937  N  N   . VAL A 1 119 ? 43.158 65.443 19.438 1.000 33.893  0 120 VAL AAA N   1 ? 
ATOM   938  C  CA  . VAL A 1 119 ? 42.518 66.481 20.278 1.000 34.772  0 120 VAL AAA CA  1 ? 
ATOM   939  C  C   . VAL A 1 119 ? 41.092 66.711 19.803 1.000 34.948  0 120 VAL AAA C   1 ? 
ATOM   940  O  O   . VAL A 1 119 ? 40.809 66.494 18.626 1.000 38.020  0 120 VAL AAA O   1 ? 
ATOM   941  C  CB  . VAL A 1 119 ? 43.354 67.767 20.250 1.000 32.986  0 120 VAL AAA CB  1 ? 
ATOM   942  C  CG1 . VAL A 1 119 ? 44.767 67.543 20.787 1.000 37.280  0 120 VAL AAA CG1 1 ? 
ATOM   943  C  CG2 . VAL A 1 119 ? 43.399 68.383 18.865 1.000 36.721  0 120 VAL AAA CG2 1 ? 
ATOM   944  N  N   . GLN A 1 120 ? 40.250 67.195 20.701 1.000 39.773  0 121 GLN AAA N   1 ? 
ATOM   945  C  CA  . GLN A 1 120 ? 38.828 67.486 20.420 1.000 38.423  0 121 GLN AAA CA  1 ? 
ATOM   946  C  C   . GLN A 1 120 ? 38.774 68.620 19.429 1.000 35.800  0 121 GLN AAA C   1 ? 
ATOM   947  O  O   . GLN A 1 120 ? 39.510 69.587 19.566 1.000 36.740  0 121 GLN AAA O   1 ? 
ATOM   948  C  CB  . GLN A 1 120 ? 38.079 67.884 21.673 1.000 42.571  0 121 GLN AAA CB  1 ? 
ATOM   949  C  CG  . GLN A 1 120 ? 38.233 66.839 22.744 1.000 48.464  0 121 GLN AAA CG  1 ? 
ATOM   950  C  CD  . GLN A 1 120 ? 37.381 67.184 23.927 1.000 53.708  0 121 GLN AAA CD  1 ? 
ATOM   951  O  OE1 . GLN A 1 120 ? 36.150 67.247 23.846 1.000 69.445  0 121 GLN AAA OE1 1 ? 
ATOM   952  N  NE2 . GLN A 1 120 ? 38.050 67.361 25.044 1.000 60.511  0 121 GLN AAA NE2 1 ? 
ATOM   953  N  N   . TYR A 1 121 ? 37.971 68.419 18.414 1.000 34.385  0 122 TYR AAA N   1 ? 
ATOM   954  C  CA  . TYR A 1 121 ? 37.762 69.384 17.325 1.000 35.524  0 122 TYR AAA CA  1 ? 
ATOM   955  C  C   . TYR A 1 121 ? 36.350 69.919 17.539 1.000 37.952  0 122 TYR AAA C   1 ? 
ATOM   956  O  O   . TYR A 1 121 ? 36.214 71.120 17.484 1.000 35.489  0 122 TYR AAA O   1 ? 
ATOM   957  C  CB  . TYR A 1 121 ? 38.034 68.739 15.953 1.000 39.250  0 122 TYR AAA CB  1 ? 
ATOM   958  C  CG  . TYR A 1 121 ? 38.180 69.761 14.865 1.000 37.143  0 122 TYR AAA CG  1 ? 
ATOM   959  C  CD1 . TYR A 1 121 ? 37.067 70.189 14.174 1.000 36.954  0 122 TYR AAA CD1 1 ? 
ATOM   960  C  CD2 . TYR A 1 121 ? 39.399 70.368 14.600 1.000 37.589  0 122 TYR AAA CD2 1 ? 
ATOM   961  C  CE1 . TYR A 1 121 ? 37.157 71.192 13.225 1.000 37.828  0 122 TYR AAA CE1 1 ? 
ATOM   962  C  CE2 . TYR A 1 121 ? 39.513 71.356 13.634 1.000 38.070  0 122 TYR AAA CE2 1 ? 
ATOM   963  C  CZ  . TYR A 1 121 ? 38.378 71.789 12.982 1.000 35.099  0 122 TYR AAA CZ  1 ? 
ATOM   964  O  OH  . TYR A 1 121 ? 38.415 72.765 12.060 1.000 38.030  0 122 TYR AAA OH  1 ? 
ATOM   965  N  N   . GLY A 1 122 ? 35.354 69.053 17.761 1.000 46.138  0 123 GLY AAA N   1 ? 
ATOM   966  C  CA  . GLY A 1 122 ? 33.933 69.446 17.945 1.000 44.914  0 123 GLY AAA CA  1 ? 
ATOM   967  C  C   . GLY A 1 122 ? 33.140 69.442 16.643 1.000 41.634  0 123 GLY AAA C   1 ? 
ATOM   968  O  O   . GLY A 1 122 ? 32.960 68.342 16.007 1.000 39.283  0 123 GLY AAA O   1 ? 
ATOM   969  N  N   . PHE A 1 123 ? 32.665 70.613 16.245 1.000 41.141  0 124 PHE AAA N   1 ? 
ATOM   970  C  CA  . PHE A 1 123 ? 31.697 70.769 15.133 1.000 43.418  0 124 PHE AAA CA  1 ? 
ATOM   971  C  C   . PHE A 1 123 ? 32.426 70.607 13.800 1.000 47.364  0 124 PHE AAA C   1 ? 
ATOM   972  O  O   . PHE A 1 123 ? 33.469 71.232 13.584 1.000 49.354  0 124 PHE AAA O   1 ? 
ATOM   973  C  CB  . PHE A 1 123 ? 30.980 72.116 15.139 1.000 42.710  0 124 PHE AAA CB  1 ? 
ATOM   974  C  CG  . PHE A 1 123 ? 30.103 72.283 13.922 1.000 47.243  0 124 PHE AAA CG  1 ? 
ATOM   975  C  CD1 . PHE A 1 123 ? 30.635 72.733 12.716 1.000 44.770  0 124 PHE AAA CD1 1 ? 
ATOM   976  C  CD2 . PHE A 1 123 ? 28.770 71.885 13.957 1.000 45.078  0 124 PHE AAA CD2 1 ? 
ATOM   977  C  CE1 . PHE A 1 123 ? 29.827 72.858 11.593 1.000 47.167  0 124 PHE AAA CE1 1 ? 
ATOM   978  C  CE2 . PHE A 1 123 ? 27.972 72.003 12.832 1.000 50.160  0 124 PHE AAA CE2 1 ? 
ATOM   979  C  CZ  . PHE A 1 123 ? 28.498 72.494 11.653 1.000 50.120  0 124 PHE AAA CZ  1 ? 
ATOM   980  N  N   . LEU A 1 124 ? 31.850 69.799 12.920 1.000 50.053  0 125 LEU AAA N   1 ? 
ATOM   981  C  CA  . LEU A 1 124 ? 32.349 69.571 11.543 1.000 49.750  0 125 LEU AAA CA  1 ? 
ATOM   982  C  C   . LEU A 1 124 ? 31.106 69.528 10.661 1.000 47.515  0 125 LEU AAA C   1 ? 
ATOM   983  O  O   . LEU A 1 124 ? 30.100 68.968 11.106 1.000 42.787  0 125 LEU AAA O   1 ? 
ATOM   984  C  CB  . LEU A 1 124 ? 33.071 68.226 11.545 1.000 51.093  0 125 LEU AAA CB  1 ? 
ATOM   985  C  CG  . LEU A 1 124 ? 34.513 68.170 11.055 1.000 54.522  0 125 LEU AAA CG  1 ? 
ATOM   986  C  CD1 . LEU A 1 124 ? 35.358 69.267 11.599 1.000 52.048  0 125 LEU AAA CD1 1 ? 
ATOM   987  C  CD2 . LEU A 1 124 ? 35.125 66.846 11.429 1.000 55.320  0 125 LEU AAA CD2 1 ? 
ATOM   988  N  N   . ASN A 1 125 ? 31.170 70.123 9.489  1.000 40.948  0 126 ASN AAA N   1 ? 
ATOM   989  C  CA  . ASN A 1 125 ? 30.180 69.897 8.423  1.000 48.159  0 126 ASN AAA CA  1 ? 
ATOM   990  C  C   . ASN A 1 125 ? 30.676 68.709 7.585  1.000 47.161  0 126 ASN AAA C   1 ? 
ATOM   991  O  O   . ASN A 1 125 ? 31.718 68.801 6.958  1.000 50.352  0 126 ASN AAA O   1 ? 
ATOM   992  C  CB  . ASN A 1 125 ? 29.950 71.194 7.652  1.000 54.253  0 126 ASN AAA CB  1 ? 
ATOM   993  C  CG  . ASN A 1 125 ? 28.696 71.099 6.821  1.000 66.634  0 126 ASN AAA CG  1 ? 
ATOM   994  O  OD1 . ASN A 1 125 ? 27.812 70.299 7.121  1.000 82.942  0 126 ASN AAA OD1 1 ? 
ATOM   995  N  ND2 . ASN A 1 125 ? 28.615 71.890 5.765  1.000 76.457  0 126 ASN AAA ND2 1 ? 
ATOM   996  N  N   . LEU A 1 126 ? 29.961 67.602 7.579  1.000 42.226  0 127 LEU AAA N   1 ? 
ATOM   997  C  CA  . LEU A 1 126 ? 30.422 66.362 6.910  1.000 42.280  0 127 LEU AAA CA  1 ? 
ATOM   998  C  C   . LEU A 1 126 ? 29.523 66.056 5.719  1.000 42.320  0 127 LEU AAA C   1 ? 
ATOM   999  O  O   . LEU A 1 126 ? 28.388 65.583 5.962  1.000 47.093  0 127 LEU AAA O   1 ? 
ATOM   1000 C  CB  . LEU A 1 126 ? 30.337 65.270 7.973  1.000 39.442  0 127 LEU AAA CB  1 ? 
ATOM   1001 C  CG  . LEU A 1 126 ? 31.631 64.780 8.593  1.000 42.696  0 127 LEU AAA CG  1 ? 
ATOM   1002 C  CD1 . LEU A 1 126 ? 32.716 65.813 8.671  1.000 45.017  0 127 LEU AAA CD1 1 ? 
ATOM   1003 C  CD2 . LEU A 1 126 ? 31.392 64.175 9.946  1.000 44.967  0 127 LEU AAA CD2 1 ? 
ATOM   1004 N  N   . SER A 1 127 ? 29.961 66.324 4.481  1.000 45.501  0 128 SER AAA N   1 ? 
ATOM   1005 C  CA  . SER A 1 127 ? 29.075 66.249 3.279  1.000 49.041  0 128 SER AAA CA  1 ? 
ATOM   1006 C  C   . SER A 1 127 ? 27.759 66.966 3.599  1.000 46.070  0 128 SER AAA C   1 ? 
ATOM   1007 O  O   . SER A 1 127 ? 26.692 66.385 3.329  1.000 43.077  0 128 SER AAA O   1 ? 
ATOM   1008 C  CB  . SER A 1 127 ? 28.724 64.823 2.843  1.000 49.865  0 128 SER AAA CB  1 ? 
ATOM   1009 O  OG  . SER A 1 127 ? 29.858 64.113 2.418  1.000 54.346  0 128 SER AAA OG  1 ? 
ATOM   1010 N  N   . GLY A 1 128 ? 27.830 68.126 4.241  1.000 44.917  0 129 GLY AAA N   1 ? 
ATOM   1011 C  CA  . GLY A 1 128 ? 26.645 68.961 4.507  1.000 49.257  0 129 GLY AAA CA  1 ? 
ATOM   1012 C  C   . GLY A 1 128 ? 25.836 68.529 5.724  1.000 45.572  0 129 GLY AAA C   1 ? 
ATOM   1013 O  O   . GLY A 1 128 ? 24.820 69.138 5.952  1.000 47.760  0 129 GLY AAA O   1 ? 
ATOM   1014 N  N   . LYS A 1 129 ? 26.276 67.555 6.509  1.000 50.643  0 130 LYS AAA N   1 ? 
ATOM   1015 C  CA  . LYS A 1 129 ? 25.599 67.174 7.779  1.000 53.397  0 130 LYS AAA CA  1 ? 
ATOM   1016 C  C   . LYS A 1 129 ? 26.372 67.764 8.961  1.000 42.906  0 130 LYS AAA C   1 ? 
ATOM   1017 O  O   . LYS A 1 129 ? 27.551 67.513 9.184  1.000 39.675  0 130 LYS AAA O   1 ? 
ATOM   1018 C  CB  . LYS A 1 129 ? 25.408 65.655 7.833  1.000 59.585  0 130 LYS AAA CB  1 ? 
ATOM   1019 C  CG  . LYS A 1 129 ? 24.500 65.132 6.722  1.000 80.357  0 130 LYS AAA CG  1 ? 
ATOM   1020 C  CD  . LYS A 1 129 ? 24.730 63.682 6.327  1.000 89.145  0 130 LYS AAA CD  1 ? 
ATOM   1021 C  CE  . LYS A 1 129 ? 24.623 62.735 7.502  1.000 87.789  0 130 LYS AAA CE  1 ? 
ATOM   1022 N  NZ  . LYS A 1 129 ? 23.385 62.980 8.273  1.000 90.254  0 130 LYS AAA NZ  1 ? 
ATOM   1023 N  N   . PRO A 1 130 ? 25.708 68.577 9.790  1.000 40.637  0 131 PRO AAA N   1 ? 
ATOM   1024 C  CA  . PRO A 1 130 ? 26.324 69.007 11.033 1.000 39.597  0 131 PRO AAA CA  1 ? 
ATOM   1025 C  C   . PRO A 1 130 ? 26.677 67.748 11.835 1.000 38.657  0 131 PRO AAA C   1 ? 
ATOM   1026 O  O   . PRO A 1 130 ? 25.839 66.837 11.886 1.000 35.058  0 131 PRO AAA O   1 ? 
ATOM   1027 C  CB  . PRO A 1 130 ? 25.226 69.843 11.687 1.000 44.669  0 131 PRO AAA CB  1 ? 
ATOM   1028 C  CG  . PRO A 1 130 ? 24.326 70.235 10.529 1.000 44.874  0 131 PRO AAA CG  1 ? 
ATOM   1029 C  CD  . PRO A 1 130 ? 24.323 69.039 9.622  1.000 40.851  0 131 PRO AAA CD  1 ? 
ATOM   1030 N  N   . THR A 1 131 ? 27.888 67.705 12.393 1.000 34.496  0 132 THR AAA N   1 ? 
ATOM   1031 C  CA  . THR A 1 131 ? 28.450 66.548 13.108 1.000 34.629  0 132 THR AAA CA  1 ? 
ATOM   1032 C  C   . THR A 1 131 ? 29.134 67.061 14.366 1.000 36.500  0 132 THR AAA C   1 ? 
ATOM   1033 O  O   . THR A 1 131 ? 29.772 68.123 14.270 1.000 34.582  0 132 THR AAA O   1 ? 
ATOM   1034 C  CB  . THR A 1 131 ? 29.395 65.759 12.203 1.000 34.608  0 132 THR AAA CB  1 ? 
ATOM   1035 O  OG1 . THR A 1 131 ? 28.664 65.367 11.040 1.000 34.333  0 132 THR AAA OG1 1 ? 
ATOM   1036 C  CG2 . THR A 1 131 ? 29.918 64.518 12.881 1.000 34.880  0 132 THR AAA CG2 1 ? 
ATOM   1037 N  N   . HIS A 1 132 ? 28.955 66.371 15.496 1.000 35.366  0 133 HIS AAA N   1 ? 
ATOM   1038 C  CA  . HIS A 1 132 ? 29.506 66.783 16.809 1.000 35.042  0 133 HIS AAA CA  1 ? 
ATOM   1039 C  C   . HIS A 1 132 ? 30.508 65.745 17.294 1.000 34.100  0 133 HIS AAA C   1 ? 
ATOM   1040 O  O   . HIS A 1 132 ? 30.484 64.592 16.791 1.000 32.322  0 133 HIS AAA O   1 ? 
ATOM   1041 C  CB  . HIS A 1 132 ? 28.399 66.957 17.850 1.000 36.107  0 133 HIS AAA CB  1 ? 
ATOM   1042 C  CG  . HIS A 1 132 ? 27.646 68.235 17.742 1.000 40.546  0 133 HIS AAA CG  1 ? 
ATOM   1043 N  ND1 . HIS A 1 132 ? 28.085 69.296 16.958 1.000 47.474  0 133 HIS AAA ND1 1 ? 
ATOM   1044 C  CD2 . HIS A 1 132 ? 26.505 68.647 18.326 1.000 40.386  0 133 HIS AAA CD2 1 ? 
ATOM   1045 C  CE1 . HIS A 1 132 ? 27.224 70.293 17.042 1.000 46.196  0 133 HIS AAA CE1 1 ? 
ATOM   1046 N  NE2 . HIS A 1 132 ? 26.244 69.918 17.869 1.000 47.404  0 133 HIS AAA NE2 1 ? 
ATOM   1047 N  N   . ARG A 1 133 ? 31.336 66.152 18.257 1.000 35.753  0 134 ARG AAA N   1 ? 
ATOM   1048 C  CA  . ARG A 1 133 ? 32.241 65.249 19.025 1.000 39.338  0 134 ARG AAA CA  1 ? 
ATOM   1049 C  C   . ARG A 1 133 ? 33.346 64.663 18.145 1.000 35.083  0 134 ARG AAA C   1 ? 
ATOM   1050 O  O   . ARG A 1 133 ? 33.857 63.609 18.508 1.000 37.564  0 134 ARG AAA O   1 ? 
ATOM   1051 C  CB  . ARG A 1 133 ? 31.446 64.103 19.654 1.000 35.570  0 134 ARG AAA CB  1 ? 
ATOM   1052 C  CG  . ARG A 1 133 ? 30.339 64.597 20.567 1.000 36.989  0 134 ARG AAA CG  1 ? 
ATOM   1053 C  CD  . ARG A 1 133 ? 29.737 63.463 21.351 1.000 36.326  0 134 ARG AAA CD  1 ? 
ATOM   1054 N  NE  . ARG A 1 133 ? 28.564 63.956 22.044 1.000 36.325  0 134 ARG AAA NE  1 ? 
ATOM   1055 C  CZ  . ARG A 1 133 ? 27.622 63.183 22.556 1.000 37.578  0 134 ARG AAA CZ  1 ? 
ATOM   1056 N  NH1 . ARG A 1 133 ? 27.732 61.874 22.463 1.000 36.845  0 134 ARG AAA NH1 1 ? 
ATOM   1057 N  NH2 . ARG A 1 133 ? 26.580 63.713 23.173 1.000 35.241  0 134 ARG AAA NH2 1 ? 
ATOM   1058 N  N   . THR A 1 134 ? 33.757 65.353 17.086 1.000 37.148  0 135 THR AAA N   1 ? 
ATOM   1059 C  CA  . THR A 1 134 ? 34.887 64.919 16.222 1.000 33.696  0 135 THR AAA CA  1 ? 
ATOM   1060 C  C   . THR A 1 134 ? 36.182 65.292 16.907 1.000 34.120  0 135 THR AAA C   1 ? 
ATOM   1061 O  O   . THR A 1 134 ? 36.188 66.234 17.694 1.000 38.076  0 135 THR AAA O   1 ? 
ATOM   1062 C  CB  . THR A 1 134 ? 34.817 65.526 14.824 1.000 35.717  0 135 THR AAA CB  1 ? 
ATOM   1063 O  OG1 . THR A 1 134 ? 35.055 66.933 14.965 1.000 34.952  0 135 THR AAA OG1 1 ? 
ATOM   1064 C  CG2 . THR A 1 134 ? 33.464 65.226 14.205 1.000 41.496  0 135 THR AAA CG2 1 ? 
ATOM   1065 N  N   . MET A 1 135 ? 37.237 64.554 16.582 1.000 37.747  0 136 MET AAA N   1 ? 
ATOM   1066 C  CA  . MET A 1 135 ? 38.614 64.814 17.042 1.000 34.868  0 136 MET AAA CA  1 ? 
ATOM   1067 C  C   . MET A 1 135 ? 39.521 64.883 15.830 1.000 34.104  0 136 MET AAA C   1 ? 
ATOM   1068 O  O   . MET A 1 135 ? 39.107 64.491 14.755 1.000 36.332  0 136 MET AAA O   1 ? 
ATOM   1069 C  CB  . MET A 1 135 ? 39.110 63.728 17.997 1.000 37.307  0 136 MET AAA CB  1 ? 
ATOM   1070 C  CG  . MET A 1 135 ? 38.153 63.462 19.164 1.000 39.943  0 136 MET AAA CG  1 ? 
ATOM   1071 S  SD  . MET A 1 135 ? 38.807 62.198 20.274 1.000 48.878  0 136 MET AAA SD  1 ? 
ATOM   1072 C  CE  . MET A 1 135 ? 39.839 63.237 21.310 1.000 43.797  0 136 MET AAA CE  1 ? 
ATOM   1073 N  N   . MET A 1 136 ? 40.719 65.392 16.050 1.000 35.685  0 137 MET AAA N   1 ? 
ATOM   1074 C  CA  . MET A 1 136 ? 41.650 65.718 14.972 1.000 36.540  0 137 MET AAA CA  1 ? 
ATOM   1075 C  C   . MET A 1 136 ? 43.057 65.275 15.379 1.000 34.128  0 137 MET AAA C   1 ? 
ATOM   1076 O  O   . MET A 1 136 ? 43.390 65.323 16.575 1.000 28.900  0 137 MET AAA O   1 ? 
ATOM   1077 C  CB  . MET A 1 136 ? 41.609 67.217 14.695 1.000 38.195  0 137 MET AAA CB  1 ? 
ATOM   1078 C  CG  . MET A 1 136 ? 42.443 67.597 13.500 1.000 45.876  0 137 MET AAA CG  1 ? 
ATOM   1079 S  SD  . MET A 1 136 ? 43.992 68.337 14.016 1.000 56.892  0 137 MET AAA SD  1 ? 
ATOM   1080 C  CE  . MET A 1 136 ? 43.319 69.978 14.155 1.000 44.278  0 137 MET AAA CE  1 ? 
ATOM   1081 N  N   . TYR A 1 137 ? 43.809 64.815 14.387 1.000 31.070  0 138 TYR AAA N   1 ? 
ATOM   1082 C  CA  . TYR A 1 137 ? 45.245 64.489 14.491 1.000 33.698  0 138 TYR AAA CA  1 ? 
ATOM   1083 C  C   . TYR A 1 137 ? 45.930 65.113 13.283 1.000 32.370  0 138 TYR AAA C   1 ? 
ATOM   1084 O  O   . TYR A 1 137 ? 45.297 65.260 12.189 1.000 30.346  0 138 TYR AAA O   1 ? 
ATOM   1085 C  CB  . TYR A 1 137 ? 45.511 62.970 14.589 1.000 33.556  0 138 TYR AAA CB  1 ? 
ATOM   1086 C  CG  . TYR A 1 137 ? 44.415 62.109 14.051 1.000 32.607  0 138 TYR AAA CG  1 ? 
ATOM   1087 C  CD1 . TYR A 1 137 ? 43.324 61.782 14.848 1.000 37.363  0 138 TYR AAA CD1 1 ? 
ATOM   1088 C  CD2 . TYR A 1 137 ? 44.440 61.638 12.746 1.000 35.016  0 138 TYR AAA CD2 1 ? 
ATOM   1089 C  CE1 . TYR A 1 137 ? 42.280 61.013 14.365 1.000 36.587  0 138 TYR AAA CE1 1 ? 
ATOM   1090 C  CE2 . TYR A 1 137 ? 43.420 60.829 12.259 1.000 33.054  0 138 TYR AAA CE2 1 ? 
ATOM   1091 C  CZ  . TYR A 1 137 ? 42.332 60.527 13.071 1.000 36.161  0 138 TYR AAA CZ  1 ? 
ATOM   1092 O  OH  . TYR A 1 137 ? 41.292 59.771 12.610 1.000 34.183  0 138 TYR AAA OH  1 ? 
ATOM   1093 N  N   . ASN A 1 138 ? 47.198 65.461 13.485 1.000 31.686  0 139 ASN AAA N   1 ? 
ATOM   1094 C  CA  . ASN A 1 138 ? 47.968 66.207 12.484 1.000 33.302  0 139 ASN AAA CA  1 ? 
ATOM   1095 C  C   . ASN A 1 138 ? 48.651 65.182 11.572 1.000 31.121  0 139 ASN AAA C   1 ? 
ATOM   1096 O  O   . ASN A 1 138 ? 49.836 65.200 11.526 1.000 36.150  0 139 ASN AAA O   1 ? 
ATOM   1097 C  CB  . ASN A 1 138 ? 48.961 67.159 13.166 1.000 34.672  0 139 ASN AAA CB  1 ? 
ATOM   1098 C  CG  . ASN A 1 138 ? 49.577 68.123 12.187 1.000 33.239  0 139 ASN AAA CG  1 ? 
ATOM   1099 O  OD1 . ASN A 1 138 ? 50.623 68.689 12.434 1.000 39.555  0 139 ASN AAA OD1 1 ? 
ATOM   1100 N  ND2 . ASN A 1 138 ? 48.883 68.377 11.101 1.000 37.124  0 139 ASN AAA ND2 1 ? 
ATOM   1101 N  N   . PHE A 1 139 ? 47.897 64.355 10.869 1.000 35.475  0 140 PHE AAA N   1 ? 
ATOM   1102 C  CA  . PHE A 1 139 ? 48.396 63.316 9.942  1.000 32.182  0 140 PHE AAA CA  1 ? 
ATOM   1103 C  C   . PHE A 1 139 ? 47.554 63.342 8.679  1.000 31.850  0 140 PHE AAA C   1 ? 
ATOM   1104 O  O   . PHE A 1 139 ? 46.320 63.316 8.745  1.000 32.119  0 140 PHE AAA O   1 ? 
ATOM   1105 C  CB  . PHE A 1 139 ? 48.393 61.932 10.594 1.000 36.908  0 140 PHE AAA CB  1 ? 
ATOM   1106 C  CG  . PHE A 1 139 ? 49.064 60.905 9.739  1.000 34.567  0 140 PHE AAA CG  1 ? 
ATOM   1107 C  CD1 . PHE A 1 139 ? 48.356 60.255 8.732  1.000 35.024  0 140 PHE AAA CD1 1 ? 
ATOM   1108 C  CD2 . PHE A 1 139 ? 50.433 60.685 9.858  1.000 34.892  0 140 PHE AAA CD2 1 ? 
ATOM   1109 C  CE1 . PHE A 1 139 ? 48.995 59.339 7.907  1.000 34.364  0 140 PHE AAA CE1 1 ? 
ATOM   1110 C  CE2 . PHE A 1 139 ? 51.068 59.777 9.032  1.000 33.754  0 140 PHE AAA CE2 1 ? 
ATOM   1111 C  CZ  . PHE A 1 139 ? 50.353 59.126 8.046  1.000 37.229  0 140 PHE AAA CZ  1 ? 
ATOM   1112 N  N   . PRO A 1 140 ? 48.206 63.384 7.495  1.000 34.260  0 141 PRO AAA N   1 ? 
ATOM   1113 C  CA  . PRO A 1 140 ? 47.481 63.416 6.213  1.000 32.706  0 141 PRO AAA CA  1 ? 
ATOM   1114 C  C   . PRO A 1 140 ? 46.827 62.060 5.857  1.000 37.073  0 141 PRO AAA C   1 ? 
ATOM   1115 O  O   . PRO A 1 140 ? 47.326 61.336 5.047  1.000 36.118  0 141 PRO AAA O   1 ? 
ATOM   1116 C  CB  . PRO A 1 140 ? 48.576 63.836 5.221  1.000 29.846  0 141 PRO AAA CB  1 ? 
ATOM   1117 C  CG  . PRO A 1 140 ? 49.848 63.234 5.822  1.000 28.723  0 141 PRO AAA CG  1 ? 
ATOM   1118 C  CD  . PRO A 1 140 ? 49.687 63.358 7.332  1.000 31.295  0 141 PRO AAA CD  1 ? 
ATOM   1119 N  N   . THR A 1 141 ? 45.692 61.739 6.477  1.000 35.110  0 142 THR AAA N   1 ? 
ATOM   1120 C  CA  . THR A 1 141 ? 44.996 60.447 6.262  1.000 32.972  0 142 THR AAA CA  1 ? 
ATOM   1121 C  C   . THR A 1 141 ? 44.501 60.431 4.826  1.000 33.806  0 142 THR AAA C   1 ? 
ATOM   1122 O  O   . THR A 1 141 ? 44.352 61.509 4.239  1.000 31.514  0 142 THR AAA O   1 ? 
ATOM   1123 C  CB  . THR A 1 141 ? 43.844 60.257 7.239  1.000 34.746  0 142 THR AAA CB  1 ? 
ATOM   1124 O  OG1 . THR A 1 141 ? 43.038 61.421 7.147  1.000 35.264  0 142 THR AAA OG1 1 ? 
ATOM   1125 C  CG2 . THR A 1 141 ? 44.323 60.076 8.662  1.000 37.125  0 142 THR AAA CG2 1 ? 
ATOM   1126 N  N   . LYS A 1 142 ? 44.255 59.255 4.290  1.000 33.536  0 143 LYS AAA N   1 ? 
ATOM   1127 C  CA  . LYS A 1 142 ? 43.899 59.111 2.870  1.000 37.277  0 143 LYS AAA CA  1 ? 
ATOM   1128 C  C   . LYS A 1 142 ? 42.843 58.031 2.644  1.000 37.152  0 143 LYS AAA C   1 ? 
ATOM   1129 O  O   . LYS A 1 142 ? 42.444 57.356 3.593  1.000 34.095  0 143 LYS AAA O   1 ? 
ATOM   1130 C  CB  . LYS A 1 142 ? 45.153 58.824 2.053  1.000 43.946  0 143 LYS AAA CB  1 ? 
ATOM   1131 C  CG  . LYS A 1 142 ? 46.104 57.781 2.573  1.000 51.979  0 143 LYS AAA CG  1 ? 
ATOM   1132 C  CD  . LYS A 1 142 ? 47.330 57.677 1.646  1.000 59.753  0 143 LYS AAA CD  1 ? 
ATOM   1133 C  CE  . LYS A 1 142 ? 47.216 56.564 0.607  1.000 61.777  0 143 LYS AAA CE  1 ? 
ATOM   1134 N  NZ  . LYS A 1 142 ? 47.566 57.009 -0.770 1.000 56.972  0 143 LYS AAA NZ  1 ? 
ATOM   1135 N  N   . ALA A 1 143 ? 42.450 57.905 1.380  1.000 35.763  0 144 ALA AAA N   1 ? 
ATOM   1136 C  CA  . ALA A 1 143 ? 41.520 56.914 0.829  1.000 38.673  0 144 ALA AAA CA  1 ? 
ATOM   1137 C  C   . ALA A 1 143 ? 41.779 55.587 1.510  1.000 38.514  0 144 ALA AAA C   1 ? 
ATOM   1138 O  O   . ALA A 1 143 ? 42.947 55.188 1.574  1.000 37.008  0 144 ALA AAA O   1 ? 
ATOM   1139 C  CB  . ALA A 1 143 ? 41.706 56.803 -0.660 1.000 38.978  0 144 ALA AAA CB  1 ? 
ATOM   1140 N  N   . GLY A 1 144 ? 40.729 54.961 2.038  1.000 38.427  0 145 GLY AAA N   1 ? 
ATOM   1141 C  CA  . GLY A 1 144 ? 40.794 53.556 2.483  1.000 39.872  0 145 GLY AAA CA  1 ? 
ATOM   1142 C  C   . GLY A 1 144 ? 41.155 53.417 3.946  1.000 38.128  0 145 GLY AAA C   1 ? 
ATOM   1143 O  O   . GLY A 1 144 ? 41.238 52.276 4.362  1.000 37.306  0 145 GLY AAA O   1 ? 
ATOM   1144 N  N   . GLN A 1 145 ? 41.312 54.525 4.692  1.000 34.750  0 146 GLN AAA N   1 ? 
ATOM   1145 C  CA  . GLN A 1 145 ? 41.579 54.528 6.163  1.000 34.105  0 146 GLN AAA CA  1 ? 
ATOM   1146 C  C   . GLN A 1 145 ? 40.285 54.713 6.993  1.000 33.040  0 146 GLN AAA C   1 ? 
ATOM   1147 O  O   . GLN A 1 145 ? 40.366 54.649 8.237  1.000 34.996  0 146 GLN AAA O   1 ? 
ATOM   1148 C  CB  . GLN A 1 145 ? 42.661 55.562 6.448  1.000 35.227  0 146 GLN AAA CB  1 ? 
ATOM   1149 C  CG  . GLN A 1 145 ? 43.929 55.215 5.687  1.000 35.699  0 146 GLN AAA CG  1 ? 
ATOM   1150 C  CD  . GLN A 1 145 ? 45.106 56.092 6.009  1.000 36.432  0 146 GLN AAA CD  1 ? 
ATOM   1151 O  OE1 . GLN A 1 145 ? 44.972 57.247 6.379  1.000 33.026  0 146 GLN AAA OE1 1 ? 
ATOM   1152 N  NE2 . GLN A 1 145 ? 46.294 55.545 5.863  1.000 38.706  0 146 GLN AAA NE2 1 ? 
ATOM   1153 N  N   . CYS A 1 146 ? 39.105 54.892 6.387  1.000 33.546  0 147 CYS AAA N   1 ? 
ATOM   1154 C  CA  . CYS A 1 146 ? 37.844 55.080 7.162  1.000 35.653  0 147 CYS AAA CA  1 ? 
ATOM   1155 C  C   . CYS A 1 146 ? 37.454 53.841 7.954  1.000 34.501  0 147 CYS AAA C   1 ? 
ATOM   1156 O  O   . CYS A 1 146 ? 37.536 52.722 7.418  1.000 32.853  0 147 CYS AAA O   1 ? 
ATOM   1157 C  CB  . CYS A 1 146 ? 36.660 55.535 6.328  1.000 37.504  0 147 CYS AAA CB  1 ? 
ATOM   1158 S  SG  . CYS A 1 146 ? 36.860 57.283 5.902  1.000 46.537  0 147 CYS AAA SG  1 ? 
ATOM   1159 N  N   . GLY A 1 147 ? 36.999 54.068 9.186  1.000 33.087  0 148 GLY AAA N   1 ? 
ATOM   1160 C  CA  . GLY A 1 147 ? 36.727 52.987 10.141 1.000 35.455  0 148 GLY AAA CA  1 ? 
ATOM   1161 C  C   . GLY A 1 147 ? 37.955 52.657 10.955 1.000 34.586  0 148 GLY AAA C   1 ? 
ATOM   1162 O  O   . GLY A 1 147 ? 37.809 51.994 12.000 1.000 35.018  0 148 GLY AAA O   1 ? 
ATOM   1163 N  N   . GLY A 1 148 ? 39.121 53.120 10.506 1.000 36.215  0 149 GLY AAA N   1 ? 
ATOM   1164 C  CA  . GLY A 1 148 ? 40.389 52.933 11.226 1.000 34.764  0 149 GLY AAA CA  1 ? 
ATOM   1165 C  C   . GLY A 1 148 ? 40.249 53.312 12.693 1.000 34.607  0 149 GLY AAA C   1 ? 
ATOM   1166 O  O   . GLY A 1 148 ? 39.633 54.355 12.993 1.000 31.584  0 149 GLY AAA O   1 ? 
ATOM   1167 N  N   . VAL A 1 149 ? 40.838 52.526 13.581 1.000 32.543  0 150 VAL AAA N   1 ? 
ATOM   1168 C  CA  . VAL A 1 149 ? 40.596 52.683 15.034 1.000 35.092  0 150 VAL AAA CA  1 ? 
ATOM   1169 C  C   . VAL A 1 149 ? 41.739 53.481 15.652 1.000 34.609  0 150 VAL AAA C   1 ? 
ATOM   1170 O  O   . VAL A 1 149 ? 42.875 53.077 15.491 1.000 31.420  0 150 VAL AAA O   1 ? 
ATOM   1171 C  CB  . VAL A 1 149 ? 40.399 51.321 15.710 1.000 33.651  0 150 VAL AAA CB  1 ? 
ATOM   1172 C  CG1 . VAL A 1 149 ? 40.095 51.509 17.187 1.000 34.295  0 150 VAL AAA CG1 1 ? 
ATOM   1173 C  CG2 . VAL A 1 149 ? 39.317 50.517 15.005 1.000 35.782  0 150 VAL AAA CG2 1 ? 
ATOM   1174 N  N   . VAL A 1 150 ? 41.405 54.587 16.309 1.000 34.310  0 151 VAL AAA N   1 ? 
ATOM   1175 C  CA  . VAL A 1 150 ? 42.355 55.461 17.031 1.000 35.681  0 151 VAL AAA CA  1 ? 
ATOM   1176 C  C   . VAL A 1 150 ? 42.530 54.898 18.441 1.000 37.467  0 151 VAL AAA C   1 ? 
ATOM   1177 O  O   . VAL A 1 150 ? 41.531 54.806 19.155 1.000 33.708  0 151 VAL AAA O   1 ? 
ATOM   1178 C  CB  . VAL A 1 150 ? 41.855 56.918 17.065 1.000 38.016  0 151 VAL AAA CB  1 ? 
ATOM   1179 C  CG1 . VAL A 1 150 ? 42.930 57.832 17.607 1.000 37.240  0 151 VAL AAA CG1 1 ? 
ATOM   1180 C  CG2 . VAL A 1 150 ? 41.403 57.395 15.693 1.000 40.004  0 151 VAL AAA CG2 1 ? 
ATOM   1181 N  N   . THR A 1 151 ? 43.762 54.544 18.803 1.000 34.921  0 152 THR AAA N   1 ? 
ATOM   1182 C  CA  . THR A 1 151 ? 44.157 53.920 20.086 1.000 40.966  0 152 THR AAA CA  1 ? 
ATOM   1183 C  C   . THR A 1 151 ? 45.338 54.721 20.607 1.000 39.208  0 152 THR AAA C   1 ? 
ATOM   1184 O  O   . THR A 1 151 ? 46.143 55.163 19.780 1.000 39.147  0 152 THR AAA O   1 ? 
ATOM   1185 C  CB  . THR A 1 151 ? 44.552 52.442 19.936 1.000 41.095  0 152 THR AAA CB  1 ? 
ATOM   1186 O  OG1 . THR A 1 151 ? 45.647 52.280 19.046 1.000 42.358  0 152 THR AAA OG1 1 ? 
ATOM   1187 C  CG2 . THR A 1 151 ? 43.497 51.623 19.250 1.000 48.424  0 152 THR AAA CG2 1 ? 
ATOM   1188 N  N   . ALA A 1 152 ? 45.455 54.845 21.919 1.000 42.899  0 153 ALA AAA N   1 ? 
ATOM   1189 C  CA  . ALA A 1 152 ? 46.558 55.570 22.586 1.000 49.546  0 153 ALA AAA CA  1 ? 
ATOM   1190 C  C   . ALA A 1 152 ? 46.605 55.063 24.017 1.000 60.963  0 153 ALA AAA C   1 ? 
ATOM   1191 O  O   . ALA A 1 152 ? 45.537 55.191 24.682 1.000 55.153  0 153 ALA AAA O   1 ? 
ATOM   1192 C  CB  . ALA A 1 152 ? 46.290 57.063 22.531 1.000 50.578  0 153 ALA AAA CB  1 ? 
ATOM   1193 N  N   . VAL A 1 153 ? 47.724 54.462 24.447 1.000 62.516  0 154 VAL AAA N   1 ? 
ATOM   1194 C  CA  . VAL A 1 153 ? 48.010 54.271 25.900 1.000 63.788  0 154 VAL AAA CA  1 ? 
ATOM   1195 C  C   . VAL A 1 153 ? 46.947 53.323 26.464 1.000 48.880  0 154 VAL AAA C   1 ? 
ATOM   1196 O  O   . VAL A 1 153 ? 46.294 53.714 27.416 1.000 55.895  0 154 VAL AAA O   1 ? 
ATOM   1197 C  CB  . VAL A 1 153 ? 47.982 55.626 26.657 1.000 66.974  0 154 VAL AAA CB  1 ? 
ATOM   1198 C  CG1 . VAL A 1 153 ? 48.561 55.506 28.066 1.000 71.041  0 154 VAL AAA CG1 1 ? 
ATOM   1199 C  CG2 . VAL A 1 153 ? 48.684 56.750 25.894 1.000 74.105  0 154 VAL AAA CG2 1 ? 
ATOM   1200 N  N   . GLY A 1 154 ? 46.733 52.176 25.834 1.000 49.078  0 155 GLY AAA N   1 ? 
ATOM   1201 C  CA  . GLY A 1 154 ? 45.689 51.190 26.177 1.000 44.550  0 155 GLY AAA CA  1 ? 
ATOM   1202 C  C   . GLY A 1 154 ? 44.253 51.734 26.117 1.000 44.031  0 155 GLY AAA C   1 ? 
ATOM   1203 O  O   . GLY A 1 154 ? 43.406 51.226 26.841 1.000 54.099  0 155 GLY AAA O   1 ? 
ATOM   1204 N  N   . LYS A 1 155 ? 43.936 52.712 25.273 1.000 48.998  0 156 LYS AAA N   1 ? 
ATOM   1205 C  CA  . LYS A 1 155 ? 42.549 53.241 25.171 1.000 47.919  0 156 LYS AAA CA  1 ? 
ATOM   1206 C  C   . LYS A 1 155 ? 42.117 53.278 23.707 1.000 45.788  0 156 LYS AAA C   1 ? 
ATOM   1207 O  O   . LYS A 1 155 ? 42.961 53.454 22.833 1.000 41.920  0 156 LYS AAA O   1 ? 
ATOM   1208 C  CB  . LYS A 1 155 ? 42.478 54.572 25.919 1.000 57.285  0 156 LYS AAA CB  1 ? 
ATOM   1209 C  CG  . LYS A 1 155 ? 42.796 54.422 27.407 1.000 78.024  0 156 LYS AAA CG  1 ? 
ATOM   1210 C  CD  . LYS A 1 155 ? 41.590 54.440 28.358 1.000 91.666  0 156 LYS AAA CD  1 ? 
ATOM   1211 C  CE  . LYS A 1 155 ? 41.407 55.782 29.047 1.000 98.571  0 156 LYS AAA CE  1 ? 
ATOM   1212 N  NZ  . LYS A 1 155 ? 41.711 56.907 28.126 1.000 97.170  0 156 LYS AAA NZ  1 ? 
ATOM   1213 N  N   . VAL A 1 156 ? 40.840 52.995 23.464 1.000 44.135  0 157 VAL AAA N   1 ? 
ATOM   1214 C  CA  . VAL A 1 156 ? 40.193 53.028 22.124 1.000 40.948  0 157 VAL AAA CA  1 ? 
ATOM   1215 C  C   . VAL A 1 156 ? 39.343 54.288 22.098 1.000 38.869  0 157 VAL AAA C   1 ? 
ATOM   1216 O  O   . VAL A 1 156 ? 38.363 54.348 22.888 1.000 38.980  0 157 VAL AAA O   1 ? 
ATOM   1217 C  CB  . VAL A 1 156 ? 39.339 51.772 21.909 1.000 40.129  0 157 VAL AAA CB  1 ? 
ATOM   1218 C  CG1 . VAL A 1 156 ? 38.689 51.756 20.551 1.000 42.825  0 157 VAL AAA CG1 1 ? 
ATOM   1219 C  CG2 . VAL A 1 156 ? 40.159 50.515 22.104 1.000 41.975  0 157 VAL AAA CG2 1 ? 
ATOM   1220 N  N   . ILE A 1 157 ? 39.713 55.279 21.301 1.000 38.282  0 158 ILE AAA N   1 ? 
ATOM   1221 C  CA  . ILE A 1 157 ? 39.148 56.646 21.514 1.000 39.237  0 158 ILE AAA CA  1 ? 
ATOM   1222 C  C   . ILE A 1 157 ? 38.423 57.177 20.287 1.000 36.365  0 158 ILE AAA C   1 ? 
ATOM   1223 O  O   . ILE A 1 157 ? 37.680 58.151 20.472 1.000 35.441  0 158 ILE AAA O   1 ? 
ATOM   1224 C  CB  . ILE A 1 157 ? 40.232 57.612 21.976 1.000 46.096  0 158 ILE AAA CB  1 ? 
ATOM   1225 C  CG1 . ILE A 1 157 ? 41.174 58.023 20.848 1.000 50.467  0 158 ILE AAA CG1 1 ? 
ATOM   1226 C  CG2 . ILE A 1 157 ? 40.973 57.010 23.159 1.000 52.337  0 158 ILE AAA CG2 1 ? 
ATOM   1227 C  CD1 . ILE A 1 157 ? 42.485 58.599 21.360 1.000 60.026  0 158 ILE AAA CD1 1 ? 
ATOM   1228 N  N   . GLY A 1 158 ? 38.600 56.594 19.101 1.000 33.353  0 159 GLY AAA N   1 ? 
ATOM   1229 C  CA  . GLY A 1 158 ? 37.923 57.141 17.919 1.000 32.187  0 159 GLY AAA CA  1 ? 
ATOM   1230 C  C   . GLY A 1 158 ? 37.897 56.212 16.737 1.000 33.214  0 159 GLY AAA C   1 ? 
ATOM   1231 O  O   . GLY A 1 158 ? 38.593 55.164 16.755 1.000 35.123  0 159 GLY AAA O   1 ? 
ATOM   1232 N  N   . ILE A 1 159 ? 37.081 56.607 15.752 1.000 35.463  0 160 ILE AAA N   1 ? 
ATOM   1233 C  CA  . ILE A 1 159 ? 36.899 55.928 14.445 1.000 32.589  0 160 ILE AAA CA  1 ? 
ATOM   1234 C  C   . ILE A 1 159 ? 37.147 56.965 13.364 1.000 34.060  0 160 ILE AAA C   1 ? 
ATOM   1235 O  O   . ILE A 1 159 ? 36.410 57.997 13.346 1.000 34.976  0 160 ILE AAA O   1 ? 
ATOM   1236 C  CB  . ILE A 1 159 ? 35.472 55.362 14.308 1.000 35.834  0 160 ILE AAA CB  1 ? 
ATOM   1237 C  CG1 . ILE A 1 159 ? 35.134 54.346 15.401 1.000 37.547  0 160 ILE AAA CG1 1 ? 
ATOM   1238 C  CG2 . ILE A 1 159 ? 35.257 54.800 12.901 1.000 35.778  0 160 ILE AAA CG2 1 ? 
ATOM   1239 C  CD1 . ILE A 1 159 ? 36.009 53.123 15.421 1.000 35.537  0 160 ILE AAA CD1 1 ? 
ATOM   1240 N  N   . HIS A 1 160 ? 38.085 56.685 12.472 1.000 32.504  0 161 HIS AAA N   1 ? 
ATOM   1241 C  CA  . HIS A 1 160 ? 38.523 57.630 11.417 1.000 34.128  0 161 HIS AAA CA  1 ? 
ATOM   1242 C  C   . HIS A 1 160 ? 37.379 57.850 10.435 1.000 34.107  0 161 HIS AAA C   1 ? 
ATOM   1243 O  O   . HIS A 1 160 ? 36.822 56.838 9.949  1.000 29.060  0 161 HIS AAA O   1 ? 
ATOM   1244 C  CB  . HIS A 1 160 ? 39.731 57.094 10.667 1.000 32.733  0 161 HIS AAA CB  1 ? 
ATOM   1245 C  CG  . HIS A 1 160 ? 40.171 58.071 9.641  1.000 32.172  0 161 HIS AAA CG  1 ? 
ATOM   1246 N  ND1 . HIS A 1 160 ? 40.813 59.240 10.016 1.000 28.567  0 161 HIS AAA ND1 1 ? 
ATOM   1247 C  CD2 . HIS A 1 160 ? 40.080 58.072 8.288  1.000 29.534  0 161 HIS AAA CD2 1 ? 
ATOM   1248 C  CE1 . HIS A 1 160 ? 41.043 59.964 8.927  1.000 30.611  0 161 HIS AAA CE1 1 ? 
ATOM   1249 N  NE2 . HIS A 1 160 ? 40.609 59.278 7.852  1.000 29.303  0 161 HIS AAA NE2 1 ? 
ATOM   1250 N  N   . ILE A 1 161 ? 37.072 59.109 10.102 1.000 30.546  0 162 ILE AAA N   1 ? 
ATOM   1251 C  CA  . ILE A 1 161 ? 35.950 59.400 9.165  1.000 31.781  0 162 ILE AAA CA  1 ? 
ATOM   1252 C  C   . ILE A 1 161 ? 36.332 60.336 8.023  1.000 31.611  0 162 ILE AAA C   1 ? 
ATOM   1253 O  O   . ILE A 1 161 ? 35.543 60.374 7.040  1.000 32.967  0 162 ILE AAA O   1 ? 
ATOM   1254 C  CB  . ILE A 1 161 ? 34.721 59.947 9.900  1.000 35.289  0 162 ILE AAA CB  1 ? 
ATOM   1255 C  CG1 . ILE A 1 161 ? 35.044 61.301 10.531 1.000 36.746  0 162 ILE AAA CG1 1 ? 
ATOM   1256 C  CG2 . ILE A 1 161 ? 34.172 58.901 10.865 1.000 32.195  0 162 ILE AAA CG2 1 ? 
ATOM   1257 C  CD1 . ILE A 1 161 ? 34.158 61.648 11.679 1.000 48.931  0 162 ILE AAA CD1 1 ? 
ATOM   1258 N  N   . GLY A 1 162 ? 37.414 61.100 8.125  1.000 34.038  0 163 GLY AAA N   1 ? 
ATOM   1259 C  CA  . GLY A 1 162 ? 37.717 62.071 7.061  1.000 33.724  0 163 GLY AAA CA  1 ? 
ATOM   1260 C  C   . GLY A 1 162 ? 39.049 62.767 7.220  1.000 33.000  0 163 GLY AAA C   1 ? 
ATOM   1261 O  O   . GLY A 1 162 ? 39.736 62.574 8.218  1.000 31.718  0 163 GLY AAA O   1 ? 
ATOM   1262 N  N   . GLY A 1 163 ? 39.398 63.539 6.205  1.000 32.111  0 164 GLY AAA N   1 ? 
ATOM   1263 C  CA  . GLY A 1 163 ? 40.671 64.262 6.141  1.000 32.273  0 164 GLY AAA CA  1 ? 
ATOM   1264 C  C   . GLY A 1 163 ? 40.564 65.444 5.220  1.000 33.162  0 164 GLY AAA C   1 ? 
ATOM   1265 O  O   . GLY A 1 163 ? 39.628 65.503 4.377  1.000 39.612  0 164 GLY AAA O   1 ? 
ATOM   1266 N  N   . ASN A 1 164 ? 41.510 66.356 5.321  1.000 36.759  0 165 ASN AAA N   1 ? 
ATOM   1267 C  CA  . ASN A 1 164 ? 41.539 67.547 4.439  1.000 33.548  0 165 ASN AAA CA  1 ? 
ATOM   1268 C  C   . ASN A 1 164 ? 42.841 67.565 3.653  1.000 36.846  0 165 ASN AAA C   1 ? 
ATOM   1269 O  O   . ASN A 1 164 ? 43.059 68.558 2.992  1.000 35.392  0 165 ASN AAA O   1 ? 
ATOM   1270 C  CB  . ASN A 1 164 ? 41.311 68.836 5.219  1.000 33.570  0 165 ASN AAA CB  1 ? 
ATOM   1271 C  CG  . ASN A 1 164 ? 42.318 69.052 6.327  1.000 35.454  0 165 ASN AAA CG  1 ? 
ATOM   1272 O  OD1 . ASN A 1 164 ? 42.103 69.826 7.260  1.000 40.040  0 165 ASN AAA OD1 1 ? 
ATOM   1273 N  ND2 . ASN A 1 164 ? 43.435 68.385 6.235  1.000 30.444  0 165 ASN AAA ND2 1 ? 
ATOM   1274 N  N   . GLY A 1 165 ? 43.609 66.476 3.678  1.000 37.360  0 166 GLY AAA N   1 ? 
ATOM   1275 C  CA  . GLY A 1 165 ? 44.902 66.355 2.987  1.000 36.160  0 166 GLY AAA CA  1 ? 
ATOM   1276 C  C   . GLY A 1 165 ? 46.064 66.697 3.898  1.000 40.171  0 166 GLY AAA C   1 ? 
ATOM   1277 O  O   . GLY A 1 165 ? 47.229 66.508 3.486  1.000 38.161  0 166 GLY AAA O   1 ? 
ATOM   1278 N  N   . ARG A 1 166 ? 45.791 67.228 5.083  1.000 37.128  0 167 ARG AAA N   1 ? 
ATOM   1279 C  CA  . ARG A 1 166 ? 46.848 67.682 6.019  1.000 37.318  0 167 ARG AAA CA  1 ? 
ATOM   1280 C  C   . ARG A 1 166 ? 46.602 67.016 7.371  1.000 33.954  0 167 ARG AAA C   1 ? 
ATOM   1281 O  O   . ARG A 1 166 ? 47.534 66.544 7.968  1.000 34.364  0 167 ARG AAA O   1 ? 
ATOM   1282 C  CB  . ARG A 1 166 ? 46.872 69.213 6.158  1.000 43.208  0 167 ARG AAA CB  1 ? 
ATOM   1283 C  CG  . ARG A 1 166 ? 47.367 69.988 4.938  1.000 46.298  0 167 ARG AAA CG  1 ? 
ATOM   1284 C  CD  . ARG A 1 166 ? 46.966 71.470 4.994  1.000 48.796  0 167 ARG AAA CD  1 ? 
ATOM   1285 N  NE  . ARG A 1 166 ? 45.670 71.595 4.341  1.000 53.824  0 167 ARG AAA NE  1 ? 
ATOM   1286 C  CZ  . ARG A 1 166 ? 44.549 72.067 4.839  1.000 50.522  0 167 ARG AAA CZ  1 ? 
ATOM   1287 N  NH1 . ARG A 1 166 ? 44.484 72.585 6.053  1.000 52.199  0 167 ARG AAA NH1 1 ? 
ATOM   1288 N  NH2 . ARG A 1 166 ? 43.471 72.014 4.078  1.000 60.225  0 167 ARG AAA NH2 1 ? 
ATOM   1289 N  N   . GLN A 1 167 ? 45.366 67.092 7.850  1.000 33.343  0 168 GLN AAA N   1 ? 
ATOM   1290 C  CA  . GLN A 1 167 ? 44.911 66.532 9.124  1.000 35.257  0 168 GLN AAA CA  1 ? 
ATOM   1291 C  C   . GLN A 1 167 ? 43.876 65.452 8.845  1.000 33.104  0 168 GLN AAA C   1 ? 
ATOM   1292 O  O   . GLN A 1 167 ? 43.300 65.387 7.714  1.000 33.988  0 168 GLN AAA O   1 ? 
ATOM   1293 C  CB  . GLN A 1 167 ? 44.334 67.650 9.979  1.000 35.460  0 168 GLN AAA CB  1 ? 
ATOM   1294 C  CG  . GLN A 1 167 ? 45.399 68.646 10.420 1.000 39.882  0 168 GLN AAA CG  1 ? 
ATOM   1295 C  CD  . GLN A 1 167 ? 45.279 69.948 9.684  1.000 39.002  0 168 GLN AAA CD  1 ? 
ATOM   1296 O  OE1 . GLN A 1 167 ? 46.265 70.659 9.419  1.000 46.482  0 168 GLN AAA OE1 1 ? 
ATOM   1297 N  NE2 . GLN A 1 167 ? 44.061 70.214 9.281  1.000 28.238  0 168 GLN AAA NE2 1 ? 
ATOM   1298 N  N   . GLY A 1 168 ? 43.655 64.658 9.874  1.000 31.185  0 169 GLY AAA N   1 ? 
ATOM   1299 C  CA  . GLY A 1 168 ? 42.667 63.571 9.887  1.000 33.192  0 169 GLY AAA CA  1 ? 
ATOM   1300 C  C   . GLY A 1 168 ? 41.714 63.755 11.040 1.000 33.723  0 169 GLY AAA C   1 ? 
ATOM   1301 O  O   . GLY A 1 168 ? 42.099 64.397 12.036 1.000 34.603  0 169 GLY AAA O   1 ? 
ATOM   1302 N  N   . PHE A 1 169 ? 40.483 63.298 10.847 1.000 34.673  0 170 PHE AAA N   1 ? 
ATOM   1303 C  CA  . PHE A 1 169 ? 39.371 63.500 11.795 1.000 33.953  0 170 PHE AAA CA  1 ? 
ATOM   1304 C  C   . PHE A 1 169 ? 38.725 62.159 12.098 1.000 33.407  0 170 PHE AAA C   1 ? 
ATOM   1305 O  O   . PHE A 1 169 ? 38.518 61.358 11.172 1.000 33.399  0 170 PHE AAA O   1 ? 
ATOM   1306 C  CB  . PHE A 1 169 ? 38.401 64.528 11.226 1.000 35.531  0 170 PHE AAA CB  1 ? 
ATOM   1307 C  CG  . PHE A 1 169 ? 39.046 65.866 10.967 1.000 34.274  0 170 PHE AAA CG  1 ? 
ATOM   1308 C  CD1 . PHE A 1 169 ? 39.738 66.106 9.795  1.000 37.814  0 170 PHE AAA CD1 1 ? 
ATOM   1309 C  CD2 . PHE A 1 169 ? 38.980 66.884 11.898 1.000 35.941  0 170 PHE AAA CD2 1 ? 
ATOM   1310 C  CE1 . PHE A 1 169 ? 40.353 67.332 9.564  1.000 39.011  0 170 PHE AAA CE1 1 ? 
ATOM   1311 C  CE2 . PHE A 1 169 ? 39.572 68.115 11.661 1.000 34.707  0 170 PHE AAA CE2 1 ? 
ATOM   1312 C  CZ  . PHE A 1 169 ? 40.262 68.341 10.495 1.000 37.244  0 170 PHE AAA CZ  1 ? 
ATOM   1313 N  N   . CYS A 1 170 ? 38.442 61.933 13.371 1.000 31.647  0 171 CYS AAA N   1 ? 
ATOM   1314 C  CA  . CYS A 1 170 ? 37.706 60.747 13.832 1.000 33.214  0 171 CYS AAA CA  1 ? 
ATOM   1315 C  C   . CYS A 1 170 ? 36.445 61.170 14.582 1.000 32.071  0 171 CYS AAA C   1 ? 
ATOM   1316 O  O   . CYS A 1 170 ? 36.360 62.321 15.028 1.000 34.270  0 171 CYS AAA O   1 ? 
ATOM   1317 C  CB  . CYS A 1 170 ? 38.595 59.865 14.693 1.000 38.894  0 171 CYS AAA CB  1 ? 
ATOM   1318 S  SG  . CYS A 1 170 ? 38.995 60.559 16.312 1.000 40.283  0 171 CYS AAA SG  1 ? 
ATOM   1319 N  N   . ALA A 1 171 ? 35.473 60.275 14.639 1.000 31.533  0 172 ALA AAA N   1 ? 
ATOM   1320 C  CA  . ALA A 1 171 ? 34.328 60.325 15.565 1.000 32.277  0 172 ALA AAA CA  1 ? 
ATOM   1321 C  C   . ALA A 1 171 ? 34.821 59.729 16.873 1.000 34.169  0 172 ALA AAA C   1 ? 
ATOM   1322 O  O   . ALA A 1 171 ? 35.267 58.543 16.874 1.000 38.205  0 172 ALA AAA O   1 ? 
ATOM   1323 C  CB  . ALA A 1 171 ? 33.138 59.566 15.040 1.000 33.234  0 172 ALA AAA CB  1 ? 
ATOM   1324 N  N   . ALA A 1 172 ? 34.717 60.506 17.946 1.000 34.151  0 173 ALA AAA N   1 ? 
ATOM   1325 C  CA  . ALA A 1 172 ? 35.048 60.063 19.314 1.000 36.139  0 173 ALA AAA CA  1 ? 
ATOM   1326 C  C   . ALA A 1 172 ? 34.189 58.874 19.727 1.000 34.925  0 173 ALA AAA C   1 ? 
ATOM   1327 O  O   . ALA A 1 172 ? 32.998 58.780 19.321 1.000 33.676  0 173 ALA AAA O   1 ? 
ATOM   1328 C  CB  . ALA A 1 172 ? 34.892 61.213 20.250 1.000 38.901  0 173 ALA AAA CB  1 ? 
ATOM   1329 N  N   . LEU A 1 173 ? 34.786 57.958 20.476 1.000 36.193  0 174 LEU AAA N   1 ? 
ATOM   1330 C  CA  . LEU A 1 173 ? 34.029 56.878 21.166 1.000 35.501  0 174 LEU AAA CA  1 ? 
ATOM   1331 C  C   . LEU A 1 173 ? 33.989 57.190 22.664 1.000 41.578  0 174 LEU AAA C   1 ? 
ATOM   1332 O  O   . LEU A 1 173 ? 35.012 57.696 23.229 1.000 38.003  0 174 LEU AAA O   1 ? 
ATOM   1333 C  CB  . LEU A 1 173 ? 34.670 55.511 20.924 1.000 36.616  0 174 LEU AAA CB  1 ? 
ATOM   1334 C  CG  . LEU A 1 173 ? 34.686 55.038 19.471 1.000 38.817  0 174 LEU AAA CG  1 ? 
ATOM   1335 C  CD1 . LEU A 1 173 ? 35.560 53.800 19.338 1.000 39.745  0 174 LEU AAA CD1 1 ? 
ATOM   1336 C  CD2 . LEU A 1 173 ? 33.265 54.762 18.984 1.000 38.677  0 174 LEU AAA CD2 1 ? 
ATOM   1337 N  N   . LYS A 1 174 ? 32.805 56.983 23.234 1.000 42.642  0 175 LYS AAA N   1 ? 
ATOM   1338 C  CA  . LYS A 1 174 ? 32.512 57.011 24.685 1.000 44.342  0 175 LYS AAA CA  1 ? 
ATOM   1339 C  C   . LYS A 1 174 ? 31.918 55.662 25.090 1.000 36.666  0 175 LYS AAA C   1 ? 
ATOM   1340 O  O   . LYS A 1 174 ? 31.225 55.003 24.269 1.000 38.111  0 175 LYS AAA O   1 ? 
ATOM   1341 C  CB  . LYS A 1 174 ? 31.542 58.131 25.027 1.000 44.604  0 175 LYS AAA CB  1 ? 
ATOM   1342 C  CG  . LYS A 1 174 ? 31.923 59.471 24.443 1.000 53.761  0 175 LYS AAA CG  1 ? 
ATOM   1343 C  CD  . LYS A 1 174 ? 31.482 60.614 25.308 1.000 60.998  0 175 LYS AAA CD  1 ? 
ATOM   1344 C  CE  . LYS A 1 174 ? 30.018 60.552 25.678 1.000 62.704  0 175 LYS AAA CE  1 ? 
ATOM   1345 N  NZ  . LYS A 1 174 ? 29.468 61.916 25.784 1.000 70.355  0 175 LYS AAA NZ  1 ? 
ATOM   1346 N  N   . ARG A 1 175 ? 32.199 55.263 26.319 1.000 37.563  0 176 ARG AAA N   1 ? 
ATOM   1347 C  CA  . ARG A 1 175 ? 31.804 53.929 26.815 1.000 40.869  0 176 ARG AAA CA  1 ? 
ATOM   1348 C  C   . ARG A 1 175 ? 30.279 53.889 26.822 1.000 38.488  0 176 ARG AAA C   1 ? 
ATOM   1349 O  O   . ARG A 1 175 ? 29.733 52.874 26.388 1.000 38.470  0 176 ARG AAA O   1 ? 
ATOM   1350 C  CB  . ARG A 1 175 ? 32.385 53.642 28.194 1.000 39.955  0 176 ARG AAA CB  1 ? 
ATOM   1351 C  CG  . ARG A 1 175 ? 32.283 52.171 28.573 1.000 41.150  0 176 ARG AAA CG  1 ? 
ATOM   1352 C  CD  . ARG A 1 175 ? 32.922 51.949 29.913 1.000 43.583  0 176 ARG AAA CD  1 ? 
ATOM   1353 N  NE  . ARG A 1 175 ? 34.322 52.355 29.888 1.000 51.267  0 176 ARG AAA NE  1 ? 
ATOM   1354 C  CZ  . ARG A 1 175 ? 34.995 52.878 30.914 1.000 51.812  0 176 ARG AAA CZ  1 ? 
ATOM   1355 N  NH1 . ARG A 1 175 ? 34.411 53.049 32.083 1.000 54.784  0 176 ARG AAA NH1 1 ? 
ATOM   1356 N  NH2 . ARG A 1 175 ? 36.255 53.245 30.767 1.000 49.763  0 176 ARG AAA NH2 1 ? 
ATOM   1357 N  N   . GLY A 1 176 ? 29.641 55.014 27.148 1.000 38.418  0 177 GLY AAA N   1 ? 
ATOM   1358 C  CA  . GLY A 1 176 ? 28.176 55.091 27.224 1.000 41.404  0 177 GLY AAA CA  1 ? 
ATOM   1359 C  C   . GLY A 1 176 ? 27.523 54.728 25.900 1.000 45.126  0 177 GLY AAA C   1 ? 
ATOM   1360 O  O   . GLY A 1 176 ? 26.332 54.379 25.909 1.000 52.300  0 177 GLY AAA O   1 ? 
ATOM   1361 N  N   . TYR A 1 177 ? 28.239 54.814 24.776 1.000 41.799  0 178 TYR AAA N   1 ? 
ATOM   1362 C  CA  . TYR A 1 177 ? 27.644 54.468 23.461 1.000 40.263  0 178 TYR AAA CA  1 ? 
ATOM   1363 C  C   . TYR A 1 177 ? 27.303 52.980 23.401 1.000 45.062  0 178 TYR AAA C   1 ? 
ATOM   1364 O  O   . TYR A 1 177 ? 26.523 52.616 22.529 1.000 50.742  0 178 TYR AAA O   1 ? 
ATOM   1365 C  CB  . TYR A 1 177 ? 28.561 54.793 22.288 1.000 36.565  0 178 TYR AAA CB  1 ? 
ATOM   1366 C  CG  . TYR A 1 177 ? 28.840 56.256 22.041 1.000 39.628  0 178 TYR AAA CG  1 ? 
ATOM   1367 C  CD1 . TYR A 1 177 ? 28.184 57.284 22.704 1.000 37.412  0 178 TYR AAA CD1 1 ? 
ATOM   1368 C  CD2 . TYR A 1 177 ? 29.772 56.606 21.081 1.000 38.799  0 178 TYR AAA CD2 1 ? 
ATOM   1369 C  CE1 . TYR A 1 177 ? 28.519 58.611 22.472 1.000 42.428  0 178 TYR AAA CE1 1 ? 
ATOM   1370 C  CE2 . TYR A 1 177 ? 30.103 57.920 20.828 1.000 36.672  0 178 TYR AAA CE2 1 ? 
ATOM   1371 C  CZ  . TYR A 1 177 ? 29.468 58.931 21.514 1.000 41.001  0 178 TYR AAA CZ  1 ? 
ATOM   1372 O  OH  . TYR A 1 177 ? 29.813 60.209 21.194 1.000 38.477  0 178 TYR AAA OH  1 ? 
ATOM   1373 N  N   . PHE A 1 178 ? 27.889 52.148 24.259 1.000 41.558  0 179 PHE AAA N   1 ? 
ATOM   1374 C  CA  . PHE A 1 178 ? 27.735 50.675 24.193 1.000 44.616  0 179 PHE AAA CA  1 ? 
ATOM   1375 C  C   . PHE A 1 178 ? 27.011 50.178 25.454 1.000 52.680  0 179 PHE AAA C   1 ? 
ATOM   1376 O  O   . PHE A 1 178 ? 27.226 49.034 25.828 1.000 53.795  0 179 PHE AAA O   1 ? 
ATOM   1377 C  CB  . PHE A 1 178 ? 29.122 50.056 24.011 1.000 44.944  0 179 PHE AAA CB  1 ? 
ATOM   1378 C  CG  . PHE A 1 178 ? 29.862 50.665 22.853 1.000 42.078  0 179 PHE AAA CG  1 ? 
ATOM   1379 C  CD1 . PHE A 1 178 ? 29.550 50.307 21.548 1.000 45.102  0 179 PHE AAA CD1 1 ? 
ATOM   1380 C  CD2 . PHE A 1 178 ? 30.785 51.679 23.053 1.000 43.606  0 179 PHE AAA CD2 1 ? 
ATOM   1381 C  CE1 . PHE A 1 178 ? 30.178 50.925 20.467 1.000 46.706  0 179 PHE AAA CE1 1 ? 
ATOM   1382 C  CE2 . PHE A 1 178 ? 31.427 52.281 21.975 1.000 43.951  0 179 PHE AAA CE2 1 ? 
ATOM   1383 C  CZ  . PHE A 1 178 ? 31.115 51.913 20.682 1.000 45.019  0 179 PHE AAA CZ  1 ? 
ATOM   1384 N  N   . CYS A 1 179 ? 26.151 51.009 26.049 1.000 57.424  0 180 CYS AAA N   1 ? 
ATOM   1385 C  CA  . CYS A 1 179 ? 25.616 50.877 27.435 1.000 61.328  0 180 CYS AAA CA  1 ? 
ATOM   1386 C  C   . CYS A 1 179 ? 24.433 51.855 27.608 1.000 68.909  0 180 CYS AAA C   1 ? 
ATOM   1387 O  O   . CYS A 1 179 ? 24.607 53.111 27.390 1.000 69.141  0 180 CYS AAA O   1 ? 
ATOM   1388 C  CB  . CYS A 1 179 ? 26.749 51.111 28.426 1.000 54.094  0 180 CYS AAA CB  1 ? 
ATOM   1389 S  SG  . CYS A 1 179 ? 26.260 51.643 30.083 1.000 80.825  0 180 CYS AAA SG  1 ? 
ATOM   1390 N  N   . SER A 1 180 ? 23.253 51.311 27.951 1.000 63.549  0 181 SER AAA N   1 ? 
ATOM   1391 C  CA  . SER A 1 180 ? 21.970 52.063 28.071 1.000 64.292  0 181 SER AAA CA  1 ? 
ATOM   1392 C  C   . SER A 1 180 ? 21.919 52.918 29.352 1.000 56.582  0 181 SER AAA C   1 ? 
ATOM   1393 O  O   . SER A 1 180 ? 21.061 53.802 29.433 1.000 54.728  0 181 SER AAA O   1 ? 
ATOM   1394 C  CB  . SER A 1 180 ? 20.799 51.114 27.984 1.000 62.922  0 181 SER AAA CB  1 ? 
ATOM   1395 O  OG  . SER A 1 180 ? 20.911 50.087 28.950 1.000 65.615  0 181 SER AAA OG  1 ? 
ATOM   1396 N  N   . GLU A 1 181 ? 22.814 52.663 30.304 1.000 62.022  0 182 GLU AAA N   1 ? 
ATOM   1397 C  CA  . GLU A 1 181 ? 22.886 53.318 31.638 1.000 75.118  0 182 GLU AAA CA  1 ? 
ATOM   1398 C  C   . GLU A 1 181 ? 23.490 54.721 31.499 1.000 74.838  0 182 GLU AAA C   1 ? 
ATOM   1399 O  O   . GLU A 1 181 ? 23.145 55.590 32.292 1.000 64.230  0 182 GLU AAA O   1 ? 
ATOM   1400 C  CB  . GLU A 1 181 ? 23.740 52.469 32.586 1.000 93.118  0 182 GLU AAA CB  1 ? 
ATOM   1401 C  CG  . GLU A 1 181 ? 23.181 52.396 34.000 1.000 110.272 0 182 GLU AAA CG  1 ? 
ATOM   1402 C  CD  . GLU A 1 181 ? 21.944 51.518 34.142 1.000 114.421 0 182 GLU AAA CD  1 ? 
ATOM   1403 O  OE1 . GLU A 1 181 ? 21.869 50.492 33.403 1.000 99.645  0 182 GLU AAA OE1 1 ? 
ATOM   1404 O  OE2 . GLU A 1 181 ? 21.052 51.867 34.982 1.000 90.790  0 182 GLU AAA OE2 1 ? 
ATOM   1405 N  N   . GLN A 1 182 ? 24.412 54.906 30.556 1.000 77.209  0 183 GLN AAA N   1 ? 
ATOM   1406 C  CA  . GLN A 1 182 ? 24.998 56.221 30.208 1.000 78.302  0 183 GLN AAA CA  1 ? 
ATOM   1407 C  C   . GLN A 1 182 ? 24.777 56.436 28.707 1.000 70.926  0 183 GLN AAA C   1 ? 
ATOM   1408 O  O   . GLN A 1 182 ? 25.307 57.461 28.332 1.000 69.936  0 183 GLN AAA O   1 ? 
ATOM   1409 C  CB  . GLN A 1 182 ? 26.485 56.278 30.592 1.000 78.529  0 183 GLN AAA CB  1 ? 
ATOM   1410 C  CG  . GLN A 1 182 ? 26.789 55.922 32.047 1.000 76.906  0 183 GLN AAA CG  1 ? 
ATOM   1411 C  CD  . GLN A 1 182 ? 26.680 57.050 33.065 1.000 80.417  0 183 GLN AAA CD  1 ? 
ATOM   1412 O  OE1 . GLN A 1 182 ? 26.647 58.269 32.756 1.000 60.695  0 183 GLN AAA OE1 1 ? 
ATOM   1413 N  NE2 . GLN A 1 182 ? 26.643 56.632 34.329 1.000 61.475  0 183 GLN AAA NE2 1 ? 
HETATM 1414 C  C1  . I70 B 2 .   ? 37.524 56.294 3.375  1.000 39.878  0 201 I70 AAA C1  1 ? 
HETATM 1415 C  C11 . I70 B 2 .   ? 36.277 64.827 2.626  1.000 38.226  0 201 I70 AAA C11 1 ? 
HETATM 1416 C  C12 . I70 B 2 .   ? 36.112 63.581 3.494  1.000 36.423  0 201 I70 AAA C12 1 ? 
HETATM 1417 C  C13 . I70 B 2 .   ? 33.745 63.413 2.653  1.000 38.128  0 201 I70 AAA C13 1 ? 
HETATM 1418 C  C14 . I70 B 2 .   ? 34.777 61.642 4.023  1.000 39.124  0 201 I70 AAA C14 1 ? 
HETATM 1419 C  C15 . I70 B 2 .   ? 35.686 60.635 3.326  1.000 39.609  0 201 I70 AAA C15 1 ? 
HETATM 1420 C  C16 . I70 B 2 .   ? 32.688 62.362 2.992  1.000 36.632  0 201 I70 AAA C16 1 ? 
HETATM 1421 C  C17 . I70 B 2 .   ? 37.291 58.820 3.697  1.000 36.022  0 201 I70 AAA C17 1 ? 
HETATM 1422 C  C18 . I70 B 2 .   ? 32.255 62.150 4.424  1.000 40.941  0 201 I70 AAA C18 1 ? 
HETATM 1423 C  C19 . I70 B 2 .   ? 38.644 59.183 4.306  1.000 36.305  0 201 I70 AAA C19 1 ? 
HETATM 1424 C  C20 . I70 B 2 .   ? 39.263 60.442 3.696  1.000 36.796  0 201 I70 AAA C20 1 ? 
HETATM 1425 C  C21 . I70 B 2 .   ? 39.513 60.355 2.195  1.000 36.419  0 201 I70 AAA C21 1 ? 
HETATM 1426 C  C22 . I70 B 2 .   ? 40.814 61.115 1.946  1.000 33.495  0 201 I70 AAA C22 1 ? 
HETATM 1427 C  C23 . I70 B 2 .   ? 32.628 63.160 5.484  1.000 36.183  0 201 I70 AAA C23 1 ? 
HETATM 1428 C  C24 . I70 B 2 .   ? 40.630 60.749 4.261  1.000 34.044  0 201 I70 AAA C24 1 ? 
HETATM 1429 C  C25 . I70 B 2 .   ? 30.873 61.571 4.660  1.000 41.733  0 201 I70 AAA C25 1 ? 
HETATM 1430 C  C26 . I70 B 2 .   ? 36.342 63.777 0.283  1.000 36.807  0 201 I70 AAA C26 1 ? 
HETATM 1431 C  C27 . I70 B 2 .   ? 36.554 66.015 7.640  1.000 42.384  0 201 I70 AAA C27 1 ? 
HETATM 1432 C  C28 . I70 B 2 .   ? 37.846 68.145 7.318  1.000 42.333  0 201 I70 AAA C28 1 ? 
HETATM 1433 C  C29 . I70 B 2 .   ? 35.380 68.136 6.963  1.000 41.201  0 201 I70 AAA C29 1 ? 
HETATM 1434 C  C30 . I70 B 2 .   ? 37.081 64.652 1.307  1.000 37.286  0 201 I70 AAA C30 1 ? 
HETATM 1435 C  C31 . I70 B 2 .   ? 37.272 66.029 0.666  1.000 39.850  0 201 I70 AAA C31 1 ? 
HETATM 1436 C  C32 . I70 B 2 .   ? 38.445 64.023 1.587  1.000 36.541  0 201 I70 AAA C32 1 ? 
HETATM 1437 C  C34 . I70 B 2 .   ? 33.329 61.273 3.829  1.000 35.850  0 201 I70 AAA C34 1 ? 
HETATM 1438 C  C7  . I70 B 2 .   ? 36.664 67.314 6.845  1.000 43.343  0 201 I70 AAA C7  1 ? 
HETATM 1439 C  C8  . I70 B 2 .   ? 36.735 57.415 4.034  1.000 41.200  0 201 I70 AAA C8  1 ? 
HETATM 1440 C  C9  . I70 B 2 .   ? 36.222 66.214 4.624  1.000 42.842  0 201 I70 AAA C9  1 ? 
HETATM 1441 N  N10 . I70 B 2 .   ? 36.831 65.849 3.481  1.000 38.277  0 201 I70 AAA N10 1 ? 
HETATM 1442 N  N13 . I70 B 2 .   ? 34.930 62.957 3.403  1.000 35.957  0 201 I70 AAA N13 1 ? 
HETATM 1443 N  N16 . I70 B 2 .   ? 36.308 59.801 4.157  1.000 35.461  0 201 I70 AAA N16 1 ? 
HETATM 1444 N  N2  . I70 B 2 .   ? 36.758 55.318 2.633  1.000 47.745  0 201 I70 AAA N2  1 ? 
HETATM 1445 N  N23 . I70 B 2 .   ? 41.389 61.226 3.280  1.000 34.357  0 201 I70 AAA N23 1 ? 
HETATM 1446 N  N8  . I70 B 2 .   ? 36.971 66.975 5.442  1.000 42.740  0 201 I70 AAA N8  1 ? 
HETATM 1447 O  O26 . I70 B 2 .   ? 40.978 60.613 5.460  1.000 34.518  0 201 I70 AAA O26 1 ? 
HETATM 1448 O  O29 . I70 B 2 .   ? 35.057 65.898 4.869  1.000 40.477  0 201 I70 AAA O29 1 ? 
HETATM 1449 O  O33 . I70 B 2 .   ? 37.022 63.161 4.229  1.000 36.221  0 201 I70 AAA O33 1 ? 
HETATM 1450 O  O38 . I70 B 2 .   ? 35.896 60.688 2.109  1.000 36.773  0 201 I70 AAA O38 1 ? 
HETATM 1451 O  O5  . I70 B 2 .   ? 38.736 56.189 3.444  1.000 47.596  0 201 I70 AAA O5  1 ? 
HETATM 1452 O  O9  . I70 B 2 .   ? 35.370 57.336 3.570  1.000 38.802  0 201 I70 AAA O9  1 ? 
HETATM 1453 NA NA  . NA  C 3 .   ? 39.868 51.672 6.978  1.000 70.579  0 202 NA  AAA NA  1 ? 
HETATM 1454 O  O   . HOH D 4 .   ? 38.158 61.004 29.585 1.000 50.755  0 301 HOH AAA O   1 ? 
HETATM 1455 O  O   . HOH D 4 .   ? 33.556 36.835 8.307  1.000 47.992  0 302 HOH AAA O   1 ? 
HETATM 1456 O  O   . HOH D 4 .   ? 26.198 46.520 3.738  1.000 43.193  0 303 HOH AAA O   1 ? 
HETATM 1457 O  O   . HOH D 4 .   ? 23.344 66.387 12.182 1.000 32.420  0 304 HOH AAA O   1 ? 
HETATM 1458 O  O   . HOH D 4 .   ? 49.013 41.921 21.193 1.000 44.006  0 305 HOH AAA O   1 ? 
HETATM 1459 O  O   . HOH D 4 .   ? 31.216 60.653 18.988 1.000 37.915  0 306 HOH AAA O   1 ? 
HETATM 1460 O  O   . HOH D 4 .   ? 32.770 66.930 4.126  1.000 41.883  0 307 HOH AAA O   1 ? 
HETATM 1461 O  O   . HOH D 4 .   ? 37.125 59.242 23.017 1.000 35.159  0 308 HOH AAA O   1 ? 
HETATM 1462 O  O   . HOH D 4 .   ? 19.209 45.070 9.807  1.000 59.588  0 309 HOH AAA O   1 ? 
HETATM 1463 O  O   . HOH D 4 .   ? 48.680 64.607 15.754 1.000 29.252  0 310 HOH AAA O   1 ? 
HETATM 1464 O  O   . HOH D 4 .   ? 52.481 52.774 9.042  1.000 47.543  0 311 HOH AAA O   1 ? 
HETATM 1465 O  O   . HOH D 4 .   ? 30.157 69.393 4.043  1.000 46.360  0 312 HOH AAA O   1 ? 
HETATM 1466 O  O   . HOH D 4 .   ? 41.656 42.345 11.240 1.000 50.194  0 313 HOH AAA O   1 ? 
HETATM 1467 O  O   . HOH D 4 .   ? 19.006 53.602 31.116 1.000 42.688  0 314 HOH AAA O   1 ? 
HETATM 1468 O  O   . HOH D 4 .   ? 37.606 46.038 3.126  1.000 47.691  0 315 HOH AAA O   1 ? 
HETATM 1469 O  O   . HOH D 4 .   ? 24.848 54.325 8.425  1.000 36.393  0 316 HOH AAA O   1 ? 
HETATM 1470 O  O   . HOH D 4 .   ? 38.975 60.387 24.745 1.000 36.114  0 317 HOH AAA O   1 ? 
HETATM 1471 O  O   . HOH D 4 .   ? 17.204 65.092 20.097 1.000 45.774  0 318 HOH AAA O   1 ? 
HETATM 1472 O  O   . HOH D 4 .   ? 30.317 57.528 28.434 1.000 45.882  0 319 HOH AAA O   1 ? 
HETATM 1473 O  O   . HOH D 4 .   ? 33.183 71.769 8.704  1.000 51.787  0 320 HOH AAA O   1 ? 
HETATM 1474 O  O   . HOH D 4 .   ? 51.932 68.100 14.741 1.000 48.074  0 321 HOH AAA O   1 ? 
HETATM 1475 O  O   . HOH D 4 .   ? 34.247 61.168 -0.000 0.500 40.870  0 322 HOH AAA O   1 ? 
HETATM 1476 O  O   . HOH D 4 .   ? 51.781 58.561 17.535 1.000 48.666  0 323 HOH AAA O   1 ? 
HETATM 1477 O  O   . HOH D 4 .   ? 49.116 70.497 9.395  1.000 35.705  0 324 HOH AAA O   1 ? 
HETATM 1478 O  O   . HOH D 4 .   ? 31.482 62.022 16.599 1.000 37.376  0 325 HOH AAA O   1 ? 
HETATM 1479 O  O   . HOH D 4 .   ? 53.921 41.454 23.480 1.000 46.579  0 326 HOH AAA O   1 ? 
HETATM 1480 O  O   . HOH D 4 .   ? 25.785 47.928 1.447  1.000 47.235  0 327 HOH AAA O   1 ? 
HETATM 1481 O  O   . HOH D 4 .   ? 35.101 51.436 12.436 1.000 39.860  0 328 HOH AAA O   1 ? 
HETATM 1482 O  O   . HOH D 4 .   ? 35.732 45.602 28.579 1.000 46.718  0 329 HOH AAA O   1 ? 
HETATM 1483 O  O   . HOH D 4 .   ? 43.888 64.085 5.267  1.000 33.677  0 330 HOH AAA O   1 ? 
HETATM 1484 O  O   . HOH D 4 .   ? 37.239 56.662 31.137 1.000 58.212  0 331 HOH AAA O   1 ? 
HETATM 1485 O  O   . HOH D 4 .   ? 50.136 55.359 23.066 1.000 51.816  0 332 HOH AAA O   1 ? 
HETATM 1486 O  O   . HOH D 4 .   ? 33.553 56.757 1.474  1.000 44.867  0 333 HOH AAA O   1 ? 
HETATM 1487 O  O   . HOH D 4 .   ? 35.185 41.685 3.611  1.000 42.555  0 334 HOH AAA O   1 ? 
HETATM 1488 O  O   . HOH D 4 .   ? 22.318 61.168 22.318 0.500 45.984  0 335 HOH AAA O   1 ? 
HETATM 1489 O  O   . HOH D 4 .   ? 46.168 62.793 2.442  1.000 42.084  0 336 HOH AAA O   1 ? 
HETATM 1490 O  O   . HOH D 4 .   ? 25.227 41.715 20.364 1.000 45.962  0 337 HOH AAA O   1 ? 
HETATM 1491 O  O   . HOH D 4 .   ? 48.936 56.614 5.371  1.000 39.356  0 338 HOH AAA O   1 ? 
HETATM 1492 O  O   . HOH D 4 .   ? 19.407 54.896 12.568 1.000 44.331  0 339 HOH AAA O   1 ? 
HETATM 1493 O  O   . HOH D 4 .   ? 36.576 51.625 -0.912 1.000 57.840  0 340 HOH AAA O   1 ? 
HETATM 1494 O  O   . HOH D 4 .   ? 24.770 35.867 8.904  1.000 51.671  0 341 HOH AAA O   1 ? 
HETATM 1495 O  O   . HOH D 4 .   ? 49.058 58.975 4.351  1.000 52.297  0 342 HOH AAA O   1 ? 
HETATM 1496 O  O   . HOH D 4 .   ? 23.395 48.304 28.099 1.000 66.064  0 343 HOH AAA O   1 ? 
HETATM 1497 O  O   . HOH D 4 .   ? 35.272 39.098 26.204 1.000 52.700  0 344 HOH AAA O   1 ? 
HETATM 1498 O  O   . HOH D 4 .   ? 38.378 68.746 3.394  1.000 45.256  0 345 HOH AAA O   1 ? 
HETATM 1499 O  O   . HOH D 4 .   ? 37.896 52.985 0.976  1.000 45.563  0 346 HOH AAA O   1 ? 
HETATM 1500 O  O   . HOH D 4 .   ? 30.082 34.171 1.816  1.000 53.290  0 347 HOH AAA O   1 ? 
HETATM 1501 O  O   . HOH D 4 .   ? 23.727 49.503 24.658 1.000 57.107  0 348 HOH AAA O   1 ? 
HETATM 1502 O  O   . HOH D 4 .   ? 21.713 63.166 12.572 1.000 51.384  0 349 HOH AAA O   1 ? 
HETATM 1503 O  O   . HOH D 4 .   ? 50.591 66.138 16.535 1.000 49.196  0 350 HOH AAA O   1 ? 
HETATM 1504 O  O   . HOH D 4 .   ? 52.586 50.739 7.410  1.000 40.455  0 351 HOH AAA O   1 ? 
HETATM 1505 O  O   . HOH D 4 .   ? 21.948 68.658 13.132 1.000 58.966  0 352 HOH AAA O   1 ? 
# 
