data_9CSV
# 
_entry.id   9CSV 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.400 
_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   9CSV         pdb_00009csv 10.2210/pdb9csv/pdb 
WWPDB D_1000286228 ?            ?                   
# 
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 2024-12-11 
2 'Structure model' 1 1 2024-12-18 
3 'Structure model' 1 2 2025-01-01 
# 
_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 3 'Structure model' 'Database references' 
# 
loop_
_pdbx_audit_revision_category.ordinal 
_pdbx_audit_revision_category.revision_ordinal 
_pdbx_audit_revision_category.data_content_type 
_pdbx_audit_revision_category.category 
1 2 'Structure model' citation        
2 2 'Structure model' citation_author 
3 3 'Structure model' citation        
4 3 'Structure model' citation_author 
# 
loop_
_pdbx_audit_revision_item.ordinal 
_pdbx_audit_revision_item.revision_ordinal 
_pdbx_audit_revision_item.data_content_type 
_pdbx_audit_revision_item.item 
1 2 'Structure model' '_citation.journal_id_ISSN'         
2 2 'Structure model' '_citation.pdbx_database_id_DOI'    
3 2 'Structure model' '_citation.pdbx_database_id_PubMed' 
4 2 'Structure model' '_citation.title'                   
5 2 'Structure model' '_citation_author.identifier_ORCID' 
6 3 'Structure model' '_citation.journal_volume'          
7 3 'Structure model' '_citation.page_first'              
8 3 'Structure model' '_citation.page_last'               
9 3 'Structure model' '_citation_author.identifier_ORCID' 
# 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.entry_id                        9CSV 
_pdbx_database_status.recvd_initial_deposition_date   2024-07-24 
_pdbx_database_status.SG_entry                        N 
_pdbx_database_status.deposit_site                    RCSB 
_pdbx_database_status.process_site                    RCSB 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.status_code_nmr_data            ? 
_pdbx_database_status.methods_development_category    ? 
_pdbx_database_status.pdb_format_compatible           Y 
# 
loop_
_pdbx_database_related.db_name 
_pdbx_database_related.details 
_pdbx_database_related.db_id 
_pdbx_database_related.content_type 
PDB '9CST contains no mutation at S112, rather than Y112'               9CST unspecified 
PDB '9CSU contains the same protein without hydrogen peroxide addition' 9CSU unspecified 
PDB '9CSW contains mutations at S112A and K121Y'                        9CSW unspecified 
# 
_pdbx_contact_author.id                 3 
_pdbx_contact_author.email              aborovik@uci.edu 
_pdbx_contact_author.name_first         Andrew 
_pdbx_contact_author.name_last          Borovik 
_pdbx_contact_author.name_mi            S 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0001-5049-9952 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Uyeda, K.S.'   1 0000-0002-3159-795X 
'Follmer, A.H.' 2 0000-0002-6244-6804 
'Borovik, A.S.' 3 0000-0001-5049-9952 
# 
_citation.abstract                  ? 
_citation.abstract_id_CAS           ? 
_citation.book_id_ISBN              ? 
_citation.book_publisher            ? 
_citation.book_publisher_city       ? 
_citation.book_title                ? 
_citation.coordinate_linkage        ? 
_citation.country                   UK 
_citation.database_id_Medline       ? 
_citation.details                   ? 
_citation.id                        primary 
_citation.journal_abbrev            'Chem Sci' 
_citation.journal_id_ASTM           ? 
_citation.journal_id_CSD            ? 
_citation.journal_id_ISSN           2041-6520 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            16 
_citation.language                  ? 
_citation.page_first                98 
_citation.page_last                 103 
_citation.title                     'Selective oxidation of active site aromatic residues in engineered Cu proteins.' 
_citation.year                      2024 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      10.1039/d4sc06667g 
_citation.pdbx_database_id_PubMed   39600509 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Uyeda, K.S.'   1 ? 
primary 'Follmer, A.H.' 2 ? 
primary 'Borovik, A.S.' 3 ? 
# 
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 Streptavidin 16587.025 1  ? 'E101Q, S112Y, K121A' ? ? 
2 non-polymer syn 
'N-(2-{bis[(pyridin-2-yl)methyl]amino}ethyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide' 468.615   1 
? ?                     ? ? 
3 non-polymer syn 'COPPER (II) ION' 63.546    1  ? ?                     ? ? 
4 water       nat water 18.015    96 ? ?                     ? ? 
# 
_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       
;MASMTGGQQMGRDEAGITGTWYNQLGSTFIVTAGADGALTGTYESAVGNAESRYVLTGRYDSAPATDGSGTALGWTVAWK
NNYRNAHSATTWSGQYVGGAQARINTQWLLTYGTTEANAWASTLVGHDTFTKVKPSAASIDAAKKAGVNNGNPLDAVQQ
;
_entity_poly.pdbx_seq_one_letter_code_can   
;MASMTGGQQMGRDEAGITGTWYNQLGSTFIVTAGADGALTGTYESAVGNAESRYVLTGRYDSAPATDGSGTALGWTVAWK
NNYRNAHSATTWSGQYVGGAQARINTQWLLTYGTTEANAWASTLVGHDTFTKVKPSAASIDAAKKAGVNNGNPLDAVQQ
;
_entity_poly.pdbx_strand_id                 A 
_entity_poly.pdbx_target_identifier         ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
2 'N-(2-{bis[(pyridin-2-yl)methyl]amino}ethyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide' QG7 
3 'COPPER (II) ION'                                                                                                      CU  
4 water                                                                                                                  HOH 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   MET n 
1 2   ALA n 
1 3   SER n 
1 4   MET n 
1 5   THR n 
1 6   GLY n 
1 7   GLY n 
1 8   GLN n 
1 9   GLN n 
1 10  MET n 
1 11  GLY n 
1 12  ARG n 
1 13  ASP n 
1 14  GLU n 
1 15  ALA n 
1 16  GLY n 
1 17  ILE n 
1 18  THR n 
1 19  GLY n 
1 20  THR n 
1 21  TRP n 
1 22  TYR n 
1 23  ASN n 
1 24  GLN n 
1 25  LEU n 
1 26  GLY n 
1 27  SER n 
1 28  THR n 
1 29  PHE n 
1 30  ILE n 
1 31  VAL n 
1 32  THR n 
1 33  ALA n 
1 34  GLY n 
1 35  ALA n 
1 36  ASP n 
1 37  GLY n 
1 38  ALA n 
1 39  LEU n 
1 40  THR n 
1 41  GLY n 
1 42  THR n 
1 43  TYR n 
1 44  GLU n 
1 45  SER n 
1 46  ALA n 
1 47  VAL n 
1 48  GLY n 
1 49  ASN n 
1 50  ALA n 
1 51  GLU n 
1 52  SER n 
1 53  ARG n 
1 54  TYR n 
1 55  VAL n 
1 56  LEU n 
1 57  THR n 
1 58  GLY n 
1 59  ARG n 
1 60  TYR n 
1 61  ASP n 
1 62  SER n 
1 63  ALA n 
1 64  PRO n 
1 65  ALA n 
1 66  THR n 
1 67  ASP n 
1 68  GLY n 
1 69  SER n 
1 70  GLY n 
1 71  THR n 
1 72  ALA n 
1 73  LEU n 
1 74  GLY n 
1 75  TRP n 
1 76  THR n 
1 77  VAL n 
1 78  ALA n 
1 79  TRP n 
1 80  LYS n 
1 81  ASN n 
1 82  ASN n 
1 83  TYR n 
1 84  ARG n 
1 85  ASN n 
1 86  ALA n 
1 87  HIS n 
1 88  SER n 
1 89  ALA n 
1 90  THR n 
1 91  THR n 
1 92  TRP n 
1 93  SER n 
1 94  GLY n 
1 95  GLN n 
1 96  TYR n 
1 97  VAL n 
1 98  GLY n 
1 99  GLY n 
1 100 ALA n 
1 101 GLN n 
1 102 ALA n 
1 103 ARG n 
1 104 ILE n 
1 105 ASN n 
1 106 THR n 
1 107 GLN n 
1 108 TRP n 
1 109 LEU n 
1 110 LEU n 
1 111 THR n 
1 112 TYR n 
1 113 GLY n 
1 114 THR n 
1 115 THR n 
1 116 GLU n 
1 117 ALA n 
1 118 ASN n 
1 119 ALA n 
1 120 TRP n 
1 121 ALA n 
1 122 SER n 
1 123 THR n 
1 124 LEU n 
1 125 VAL n 
1 126 GLY n 
1 127 HIS n 
1 128 ASP n 
1 129 THR n 
1 130 PHE n 
1 131 THR n 
1 132 LYS n 
1 133 VAL n 
1 134 LYS n 
1 135 PRO n 
1 136 SER n 
1 137 ALA n 
1 138 ALA n 
1 139 SER n 
1 140 ILE n 
1 141 ASP n 
1 142 ALA n 
1 143 ALA n 
1 144 LYS n 
1 145 LYS n 
1 146 ALA n 
1 147 GLY n 
1 148 VAL n 
1 149 ASN n 
1 150 ASN n 
1 151 GLY n 
1 152 ASN n 
1 153 PRO n 
1 154 LEU n 
1 155 ASP n 
1 156 ALA n 
1 157 VAL n 
1 158 GLN n 
1 159 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                   159 
_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      'Streptomyces avidinii' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     1895 
_entity_src_gen.pdbx_gene_src_variant              ? 
_entity_src_gen.pdbx_gene_src_cell_line            ? 
_entity_src_gen.pdbx_gene_src_atcc                 ? 
_entity_src_gen.pdbx_gene_src_organ                ? 
_entity_src_gen.pdbx_gene_src_organelle            ? 
_entity_src_gen.pdbx_gene_src_cell                 ? 
_entity_src_gen.pdbx_gene_src_cellular_location    ? 
_entity_src_gen.host_org_common_name               ? 
_entity_src_gen.pdbx_host_org_scientific_name      'Escherichia coli BL21' 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     511693 
_entity_src_gen.host_org_genus                     ? 
_entity_src_gen.pdbx_host_org_gene                 ? 
_entity_src_gen.pdbx_host_org_organ                ? 
_entity_src_gen.host_org_species                   ? 
_entity_src_gen.pdbx_host_org_tissue               ? 
_entity_src_gen.pdbx_host_org_tissue_fraction      ? 
_entity_src_gen.pdbx_host_org_strain               ? 
_entity_src_gen.pdbx_host_org_variant              ? 
_entity_src_gen.pdbx_host_org_cell_line            ? 
_entity_src_gen.pdbx_host_org_atcc                 ? 
_entity_src_gen.pdbx_host_org_culture_collection   ? 
_entity_src_gen.pdbx_host_org_cell                 ? 
_entity_src_gen.pdbx_host_org_organelle            ? 
_entity_src_gen.pdbx_host_org_cellular_location    ? 
_entity_src_gen.pdbx_host_org_vector_type          ? 
_entity_src_gen.pdbx_host_org_vector               ? 
_entity_src_gen.host_org_details                   ? 
_entity_src_gen.expression_system_id               ? 
_entity_src_gen.plasmid_name                       ? 
_entity_src_gen.plasmid_details                    ? 
_entity_src_gen.pdbx_description                   ? 
# 
loop_
_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 
CU  non-polymer         . 'COPPER (II) ION' ? 'Cu 2'            63.546  
GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3'    146.144 
GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4'      147.129 
GLY 'peptide linking'   y GLYCINE ? 'C2 H5 N O2'      75.067  
HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1'  156.162 
HOH non-polymer         . WATER ? 'H2 O'            18.015  
ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2'     131.173 
LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2'     131.173 
LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1'  147.195 
MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S'   149.211 
PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2'     165.189 
PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2'      115.130 
QG7 non-polymer         . 
'N-(2-{bis[(pyridin-2-yl)methyl]amino}ethyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide' ? 
'C24 H32 N6 O2 S' 468.615 
SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3'      105.093 
THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3'      119.119 
TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2'   204.225 
TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3'     181.189 
VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2'     117.146 
# 
loop_
_pdbx_poly_seq_scheme.asym_id 
_pdbx_poly_seq_scheme.entity_id 
_pdbx_poly_seq_scheme.seq_id 
_pdbx_poly_seq_scheme.mon_id 
_pdbx_poly_seq_scheme.ndb_seq_num 
_pdbx_poly_seq_scheme.pdb_seq_num 
_pdbx_poly_seq_scheme.auth_seq_num 
_pdbx_poly_seq_scheme.pdb_mon_id 
_pdbx_poly_seq_scheme.auth_mon_id 
_pdbx_poly_seq_scheme.pdb_strand_id 
_pdbx_poly_seq_scheme.pdb_ins_code 
_pdbx_poly_seq_scheme.hetero 
A 1 1   MET 1   1   ?   ?   ?   A . n 
A 1 2   ALA 2   2   ?   ?   ?   A . n 
A 1 3   SER 3   3   ?   ?   ?   A . n 
A 1 4   MET 4   4   ?   ?   ?   A . n 
A 1 5   THR 5   5   ?   ?   ?   A . n 
A 1 6   GLY 6   6   ?   ?   ?   A . n 
A 1 7   GLY 7   7   ?   ?   ?   A . n 
A 1 8   GLN 8   8   ?   ?   ?   A . n 
A 1 9   GLN 9   9   ?   ?   ?   A . n 
A 1 10  MET 10  10  ?   ?   ?   A . n 
A 1 11  GLY 11  11  ?   ?   ?   A . n 
A 1 12  ARG 12  12  12  ARG ARG A . n 
A 1 13  ASP 13  13  13  ASP ASP A . n 
A 1 14  GLU 14  14  14  GLU GLU A . n 
A 1 15  ALA 15  15  15  ALA ALA A . n 
A 1 16  GLY 16  16  16  GLY GLY A . n 
A 1 17  ILE 17  17  17  ILE ILE A . n 
A 1 18  THR 18  18  18  THR THR A . n 
A 1 19  GLY 19  19  19  GLY GLY A . n 
A 1 20  THR 20  20  20  THR THR A . n 
A 1 21  TRP 21  21  21  TRP TRP A . n 
A 1 22  TYR 22  22  22  TYR TYR A . n 
A 1 23  ASN 23  23  23  ASN ASN A . n 
A 1 24  GLN 24  24  24  GLN GLN A . n 
A 1 25  LEU 25  25  25  LEU LEU A . n 
A 1 26  GLY 26  26  26  GLY GLY A . n 
A 1 27  SER 27  27  27  SER SER A . n 
A 1 28  THR 28  28  28  THR THR A . n 
A 1 29  PHE 29  29  29  PHE PHE A . n 
A 1 30  ILE 30  30  30  ILE ILE A . n 
A 1 31  VAL 31  31  31  VAL VAL A . n 
A 1 32  THR 32  32  32  THR THR A . n 
A 1 33  ALA 33  33  33  ALA ALA A . n 
A 1 34  GLY 34  34  34  GLY GLY A . n 
A 1 35  ALA 35  35  35  ALA ALA A . n 
A 1 36  ASP 36  36  36  ASP ASP A . n 
A 1 37  GLY 37  37  37  GLY GLY A . n 
A 1 38  ALA 38  38  38  ALA ALA A . n 
A 1 39  LEU 39  39  39  LEU LEU A . n 
A 1 40  THR 40  40  40  THR THR A . n 
A 1 41  GLY 41  41  41  GLY GLY A . n 
A 1 42  THR 42  42  42  THR THR A . n 
A 1 43  TYR 43  43  43  TYR TYR A . n 
A 1 44  GLU 44  44  44  GLU GLU A . n 
A 1 45  SER 45  45  45  SER SER A . n 
A 1 46  ALA 46  46  46  ALA ALA A . n 
A 1 47  VAL 47  47  47  VAL VAL A . n 
A 1 48  GLY 48  48  48  GLY GLY A . n 
A 1 49  ASN 49  49  49  ASN ASN A . n 
A 1 50  ALA 50  50  50  ALA ALA A . n 
A 1 51  GLU 51  51  51  GLU GLU A . n 
A 1 52  SER 52  52  52  SER SER A . n 
A 1 53  ARG 53  53  53  ARG ARG A . n 
A 1 54  TYR 54  54  54  TYR TYR A . n 
A 1 55  VAL 55  55  55  VAL VAL A . n 
A 1 56  LEU 56  56  56  LEU LEU A . n 
A 1 57  THR 57  57  57  THR THR A . n 
A 1 58  GLY 58  58  58  GLY GLY A . n 
A 1 59  ARG 59  59  59  ARG ARG A . n 
A 1 60  TYR 60  60  60  TYR TYR A . n 
A 1 61  ASP 61  61  61  ASP ASP A . n 
A 1 62  SER 62  62  62  SER SER A . n 
A 1 63  ALA 63  63  63  ALA ALA A . n 
A 1 64  PRO 64  64  64  PRO PRO A . n 
A 1 65  ALA 65  65  65  ALA ALA A . n 
A 1 66  THR 66  66  66  THR THR A . n 
A 1 67  ASP 67  67  67  ASP ASP A . n 
A 1 68  GLY 68  68  68  GLY GLY A . n 
A 1 69  SER 69  69  69  SER SER A . n 
A 1 70  GLY 70  70  70  GLY GLY A . n 
A 1 71  THR 71  71  71  THR THR A . n 
A 1 72  ALA 72  72  72  ALA ALA A . n 
A 1 73  LEU 73  73  73  LEU LEU A . n 
A 1 74  GLY 74  74  74  GLY GLY A . n 
A 1 75  TRP 75  75  75  TRP TRP A . n 
A 1 76  THR 76  76  76  THR THR A . n 
A 1 77  VAL 77  77  77  VAL VAL A . n 
A 1 78  ALA 78  78  78  ALA ALA A . n 
A 1 79  TRP 79  79  79  TRP TRP A . n 
A 1 80  LYS 80  80  80  LYS LYS A . n 
A 1 81  ASN 81  81  81  ASN ASN A . n 
A 1 82  ASN 82  82  82  ASN ASN A . n 
A 1 83  TYR 83  83  83  TYR TYR A . n 
A 1 84  ARG 84  84  84  ARG ARG A . n 
A 1 85  ASN 85  85  85  ASN ASN A . n 
A 1 86  ALA 86  86  86  ALA ALA A . n 
A 1 87  HIS 87  87  87  HIS HIS A . n 
A 1 88  SER 88  88  88  SER SER A . n 
A 1 89  ALA 89  89  89  ALA ALA A . n 
A 1 90  THR 90  90  90  THR THR A . n 
A 1 91  THR 91  91  91  THR THR A . n 
A 1 92  TRP 92  92  92  TRP TRP A . n 
A 1 93  SER 93  93  93  SER SER A . n 
A 1 94  GLY 94  94  94  GLY GLY A . n 
A 1 95  GLN 95  95  95  GLN GLN A . n 
A 1 96  TYR 96  96  96  TYR TYR A . n 
A 1 97  VAL 97  97  97  VAL VAL A . n 
A 1 98  GLY 98  98  98  GLY GLY A . n 
A 1 99  GLY 99  99  99  GLY GLY A . n 
A 1 100 ALA 100 100 100 ALA ALA A . n 
A 1 101 GLN 101 101 101 GLN GLN A . n 
A 1 102 ALA 102 102 102 ALA ALA A . n 
A 1 103 ARG 103 103 103 ARG ARG A . n 
A 1 104 ILE 104 104 104 ILE ILE A . n 
A 1 105 ASN 105 105 105 ASN ASN A . n 
A 1 106 THR 106 106 106 THR THR A . n 
A 1 107 GLN 107 107 107 GLN GLN A . n 
A 1 108 TRP 108 108 108 TRP TRP A . n 
A 1 109 LEU 109 109 109 LEU LEU A . n 
A 1 110 LEU 110 110 110 LEU LEU A . n 
A 1 111 THR 111 111 111 THR THR A . n 
A 1 112 TYR 112 112 112 TYR TYR A . n 
A 1 113 GLY 113 113 113 GLY GLY A . n 
A 1 114 THR 114 114 114 THR THR A . n 
A 1 115 THR 115 115 115 THR THR A . n 
A 1 116 GLU 116 116 116 GLU GLU A . n 
A 1 117 ALA 117 117 117 ALA ALA A . n 
A 1 118 ASN 118 118 118 ASN ASN A . n 
A 1 119 ALA 119 119 119 ALA ALA A . n 
A 1 120 TRP 120 120 120 TRP TRP A . n 
A 1 121 ALA 121 121 121 ALA ALA A . n 
A 1 122 SER 122 122 122 SER SER A . n 
A 1 123 THR 123 123 123 THR THR A . n 
A 1 124 LEU 124 124 124 LEU LEU A . n 
A 1 125 VAL 125 125 125 VAL VAL A . n 
A 1 126 GLY 126 126 126 GLY GLY A . n 
A 1 127 HIS 127 127 127 HIS HIS A . n 
A 1 128 ASP 128 128 128 ASP ASP A . n 
A 1 129 THR 129 129 129 THR THR A . n 
A 1 130 PHE 130 130 130 PHE PHE A . n 
A 1 131 THR 131 131 131 THR THR A . n 
A 1 132 LYS 132 132 132 LYS LYS A . n 
A 1 133 VAL 133 133 133 VAL VAL A . n 
A 1 134 LYS 134 134 134 LYS LYS A . n 
A 1 135 PRO 135 135 ?   ?   ?   A . n 
A 1 136 SER 136 136 ?   ?   ?   A . n 
A 1 137 ALA 137 137 ?   ?   ?   A . n 
A 1 138 ALA 138 138 ?   ?   ?   A . n 
A 1 139 SER 139 139 ?   ?   ?   A . n 
A 1 140 ILE 140 140 ?   ?   ?   A . n 
A 1 141 ASP 141 141 ?   ?   ?   A . n 
A 1 142 ALA 142 142 ?   ?   ?   A . n 
A 1 143 ALA 143 143 ?   ?   ?   A . n 
A 1 144 LYS 144 144 ?   ?   ?   A . n 
A 1 145 LYS 145 145 ?   ?   ?   A . n 
A 1 146 ALA 146 146 ?   ?   ?   A . n 
A 1 147 GLY 147 147 ?   ?   ?   A . n 
A 1 148 VAL 148 148 ?   ?   ?   A . n 
A 1 149 ASN 149 149 ?   ?   ?   A . n 
A 1 150 ASN 150 150 ?   ?   ?   A . n 
A 1 151 GLY 151 151 ?   ?   ?   A . n 
A 1 152 ASN 152 152 ?   ?   ?   A . n 
A 1 153 PRO 153 153 ?   ?   ?   A . n 
A 1 154 LEU 154 154 ?   ?   ?   A . n 
A 1 155 ASP 155 155 ?   ?   ?   A . n 
A 1 156 ALA 156 156 ?   ?   ?   A . n 
A 1 157 VAL 157 157 ?   ?   ?   A . n 
A 1 158 GLN 158 158 ?   ?   ?   A . n 
A 1 159 GLN 159 159 ?   ?   ?   A . n 
# 
_pdbx_entity_instance_feature.ordinal        1 
_pdbx_entity_instance_feature.comp_id        QG7 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   QG7 
_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 QG7 1  201 201 QG7 UYE A . 
C 3 CU  1  202 1   CU  CU  A . 
D 4 HOH 1  301 17  HOH HOH A . 
D 4 HOH 2  302 96  HOH HOH A . 
D 4 HOH 3  303 73  HOH HOH A . 
D 4 HOH 4  304 10  HOH HOH A . 
D 4 HOH 5  305 58  HOH HOH A . 
D 4 HOH 6  306 54  HOH HOH A . 
D 4 HOH 7  307 3   HOH HOH A . 
D 4 HOH 8  308 53  HOH HOH A . 
D 4 HOH 9  309 23  HOH HOH A . 
D 4 HOH 10 310 14  HOH HOH A . 
D 4 HOH 11 311 7   HOH HOH A . 
D 4 HOH 12 312 5   HOH HOH A . 
D 4 HOH 13 313 12  HOH HOH A . 
D 4 HOH 14 314 66  HOH HOH A . 
D 4 HOH 15 315 45  HOH HOH A . 
D 4 HOH 16 316 98  HOH HOH A . 
D 4 HOH 17 317 52  HOH HOH A . 
D 4 HOH 18 318 50  HOH HOH A . 
D 4 HOH 19 319 92  HOH HOH A . 
D 4 HOH 20 320 4   HOH HOH A . 
D 4 HOH 21 321 22  HOH HOH A . 
D 4 HOH 22 322 13  HOH HOH A . 
D 4 HOH 23 323 24  HOH HOH A . 
D 4 HOH 24 324 27  HOH HOH A . 
D 4 HOH 25 325 25  HOH HOH A . 
D 4 HOH 26 326 77  HOH HOH A . 
D 4 HOH 27 327 26  HOH HOH A . 
D 4 HOH 28 328 29  HOH HOH A . 
D 4 HOH 29 329 65  HOH HOH A . 
D 4 HOH 30 330 75  HOH HOH A . 
D 4 HOH 31 331 40  HOH HOH A . 
D 4 HOH 32 332 60  HOH HOH A . 
D 4 HOH 33 333 90  HOH HOH A . 
D 4 HOH 34 334 20  HOH HOH A . 
D 4 HOH 35 335 62  HOH HOH A . 
D 4 HOH 36 336 21  HOH HOH A . 
D 4 HOH 37 337 80  HOH HOH A . 
D 4 HOH 38 338 15  HOH HOH A . 
D 4 HOH 39 339 31  HOH HOH A . 
D 4 HOH 40 340 6   HOH HOH A . 
D 4 HOH 41 341 30  HOH HOH A . 
D 4 HOH 42 342 18  HOH HOH A . 
D 4 HOH 43 343 38  HOH HOH A . 
D 4 HOH 44 344 76  HOH HOH A . 
D 4 HOH 45 345 56  HOH HOH A . 
D 4 HOH 46 346 49  HOH HOH A . 
D 4 HOH 47 347 8   HOH HOH A . 
D 4 HOH 48 348 43  HOH HOH A . 
D 4 HOH 49 349 1   HOH HOH A . 
D 4 HOH 50 350 34  HOH HOH A . 
D 4 HOH 51 351 28  HOH HOH A . 
D 4 HOH 52 352 78  HOH HOH A . 
D 4 HOH 53 353 41  HOH HOH A . 
D 4 HOH 54 354 9   HOH HOH A . 
D 4 HOH 55 355 61  HOH HOH A . 
D 4 HOH 56 356 11  HOH HOH A . 
D 4 HOH 57 357 16  HOH HOH A . 
D 4 HOH 58 358 44  HOH HOH A . 
D 4 HOH 59 359 19  HOH HOH A . 
D 4 HOH 60 360 33  HOH HOH A . 
D 4 HOH 61 361 47  HOH HOH A . 
D 4 HOH 62 362 36  HOH HOH A . 
D 4 HOH 63 363 42  HOH HOH A . 
D 4 HOH 64 364 2   HOH HOH A . 
D 4 HOH 65 365 32  HOH HOH A . 
D 4 HOH 66 366 57  HOH HOH A . 
D 4 HOH 67 367 93  HOH HOH A . 
D 4 HOH 68 368 51  HOH HOH A . 
D 4 HOH 69 369 81  HOH HOH A . 
D 4 HOH 70 370 39  HOH HOH A . 
D 4 HOH 71 371 71  HOH HOH A . 
D 4 HOH 72 372 99  HOH HOH A . 
D 4 HOH 73 373 37  HOH HOH A . 
D 4 HOH 74 374 67  HOH HOH A . 
D 4 HOH 75 375 48  HOH HOH A . 
D 4 HOH 76 376 85  HOH HOH A . 
D 4 HOH 77 377 87  HOH HOH A . 
D 4 HOH 78 378 82  HOH HOH A . 
D 4 HOH 79 379 88  HOH HOH A . 
D 4 HOH 80 380 91  HOH HOH A . 
D 4 HOH 81 381 95  HOH HOH A . 
D 4 HOH 82 382 55  HOH HOH A . 
D 4 HOH 83 383 79  HOH HOH A . 
D 4 HOH 84 384 74  HOH HOH A . 
D 4 HOH 85 385 83  HOH HOH A . 
D 4 HOH 86 386 46  HOH HOH A . 
D 4 HOH 87 387 86  HOH HOH A . 
D 4 HOH 88 388 63  HOH HOH A . 
D 4 HOH 89 389 70  HOH HOH A . 
D 4 HOH 90 390 89  HOH HOH A . 
D 4 HOH 91 391 97  HOH HOH A . 
D 4 HOH 92 392 59  HOH HOH A . 
D 4 HOH 93 393 35  HOH HOH A . 
D 4 HOH 94 394 64  HOH HOH A . 
D 4 HOH 95 395 69  HOH HOH A . 
D 4 HOH 96 396 68  HOH HOH A . 
# 
loop_
_software.citation_id 
_software.classification 
_software.compiler_name 
_software.compiler_version 
_software.contact_author 
_software.contact_author_email 
_software.date 
_software.description 
_software.dependencies 
_software.hardware 
_software.language 
_software.location 
_software.mods 
_software.name 
_software.os 
_software.os_version 
_software.type 
_software.version 
_software.pdbx_ordinal 
? refinement       ? ? ? ? ? ? ? ? ? ? ? PHENIX  ? ? ? 1.20.1_4487 1 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? MOSFLM  ? ? ? 7.4.0       2 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? Aimless ? ? ? .           3 
? phasing          ? ? ? ? ? ? ? ? ? ? ? PHASER  ? ? ? .           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                     9CSV 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     57.550 
_cell.length_a_esd                 ? 
_cell.length_b                     57.550 
_cell.length_b_esd                 ? 
_cell.length_c                     177.730 
_cell.length_c_esd                 ? 
_cell.volume                       588642.204 
_cell.volume_esd                   ? 
_cell.Z_PDB                        16 
_cell.reciprocal_angle_alpha       ? 
_cell.reciprocal_angle_beta        ? 
_cell.reciprocal_angle_gamma       ? 
_cell.reciprocal_angle_alpha_esd   ? 
_cell.reciprocal_angle_beta_esd    ? 
_cell.reciprocal_angle_gamma_esd   ? 
_cell.reciprocal_length_a          ? 
_cell.reciprocal_length_b          ? 
_cell.reciprocal_length_c          ? 
_cell.reciprocal_length_a_esd      ? 
_cell.reciprocal_length_b_esd      ? 
_cell.reciprocal_length_c_esd      ? 
_cell.pdbx_unique_axis             ? 
_cell.pdbx_esd_method              ? 
# 
_symmetry.entry_id                         9CSV 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                98 
_symmetry.space_group_name_Hall            'I 4bw 2bw' 
_symmetry.space_group_name_H-M             'I 41 2 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                   9CSV 
_exptl.crystals_number            1 
_exptl.details                    ? 
_exptl.method                     'X-RAY DIFFRACTION' 
_exptl.method_details             ? 
# 
_exptl_crystal.colour                       ? 
_exptl_crystal.density_diffrn               ? 
_exptl_crystal.density_Matthews             2.22 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          44.54 
_exptl_crystal.description                  ? 
_exptl_crystal.F_000                        ? 
_exptl_crystal.id                           1 
_exptl_crystal.preparation                  ? 
_exptl_crystal.size_max                     ? 
_exptl_crystal.size_mid                     ? 
_exptl_crystal.size_min                     ? 
_exptl_crystal.size_rad                     ? 
_exptl_crystal.colour_lustre                ? 
_exptl_crystal.colour_modifier              ? 
_exptl_crystal.colour_primary               ? 
_exptl_crystal.density_meas                 ? 
_exptl_crystal.density_meas_esd             ? 
_exptl_crystal.density_meas_gt              ? 
_exptl_crystal.density_meas_lt              ? 
_exptl_crystal.density_meas_temp            ? 
_exptl_crystal.density_meas_temp_esd        ? 
_exptl_crystal.density_meas_temp_gt         ? 
_exptl_crystal.density_meas_temp_lt         ? 
_exptl_crystal.pdbx_crystal_image_url       ? 
_exptl_crystal.pdbx_crystal_image_format    ? 
_exptl_crystal.pdbx_mosaicity               ? 
_exptl_crystal.pdbx_mosaicity_esd           ? 
_exptl_crystal.pdbx_mosaic_method           ? 
_exptl_crystal.pdbx_mosaic_block_size       ? 
_exptl_crystal.pdbx_mosaic_block_size_esd   ? 
# 
_exptl_crystal_grow.apparatus       ? 
_exptl_crystal_grow.atmosphere      ? 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.details         ? 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, SITTING DROP' 
_exptl_crystal_grow.method_ref      ? 
_exptl_crystal_grow.pH              6 
_exptl_crystal_grow.pressure        ? 
_exptl_crystal_grow.pressure_esd    ? 
_exptl_crystal_grow.seeding         ? 
_exptl_crystal_grow.seeding_ref     ? 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.temp_esd        ? 
_exptl_crystal_grow.time            ? 
_exptl_crystal_grow.pdbx_details    'ammonium sulfate, sodium acetate' 
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            293 
# 
_diffrn.ambient_environment              ? 
_diffrn.ambient_temp                     100 
_diffrn.ambient_temp_details             ? 
_diffrn.ambient_temp_esd                 ? 
_diffrn.crystal_id                       1 
_diffrn.crystal_support                  ? 
_diffrn.crystal_treatment                ? 
_diffrn.details                          ? 
_diffrn.id                               1 
_diffrn.ambient_pressure                 ? 
_diffrn.ambient_pressure_esd             ? 
_diffrn.ambient_pressure_gt              ? 
_diffrn.ambient_pressure_lt              ? 
_diffrn.ambient_temp_gt                  ? 
_diffrn.ambient_temp_lt                  ? 
_diffrn.pdbx_serial_crystal_experiment   N 
# 
_diffrn_detector.details                      ? 
_diffrn_detector.detector                     PIXEL 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         'DECTRIS PILATUS3 6M' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2023-10-27 
_diffrn_detector.pdbx_frequency               ? 
_diffrn_detector.id                           ? 
_diffrn_detector.number_of_axes               ? 
# 
_diffrn_radiation.collimation                      ? 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.filter_edge                      ? 
_diffrn_radiation.inhomogeneity                    ? 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.polarisn_norm                    ? 
_diffrn_radiation.polarisn_ratio                   ? 
_diffrn_radiation.probe                            ? 
_diffrn_radiation.type                             ? 
_diffrn_radiation.xray_symbol                      ? 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   M 
_diffrn_radiation.pdbx_wavelength_list             ? 
_diffrn_radiation.pdbx_wavelength                  ? 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_analyzer                    ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.9999 
_diffrn_radiation_wavelength.wt           1.0 
# 
_diffrn_source.current                     ? 
_diffrn_source.details                     ? 
_diffrn_source.diffrn_id                   1 
_diffrn_source.power                       ? 
_diffrn_source.size                        ? 
_diffrn_source.source                      SYNCHROTRON 
_diffrn_source.target                      ? 
_diffrn_source.type                        'ALS BEAMLINE 5.0.2' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        0.9999 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   5.0.2 
_diffrn_source.pdbx_synchrotron_site       ALS 
# 
_reflns.B_iso_Wilson_estimate                          22.06 
_reflns.entry_id                                       9CSV 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.6 
_reflns.d_resolution_low                               27.38 
_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                                     20125 
_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                           99.12 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                6.7 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          9.00 
_reflns.pdbx_res_netI_over_av_sigmaI_2                 ? 
_reflns.pdbx_res_netI_over_sigmaI_2                    ? 
_reflns.pdbx_chi_squared                               ? 
_reflns.pdbx_scaling_rejects                           ? 
_reflns.pdbx_d_res_high_opt                            ? 
_reflns.pdbx_d_res_low_opt                             ? 
_reflns.pdbx_d_res_opt_method                          ? 
_reflns.phase_calculation_details                      ? 
_reflns.pdbx_Rrim_I_all                                0.1037 
_reflns.pdbx_Rpim_I_all                                0.03725 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       ? 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   0.997 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              0.09639 
_reflns.pdbx_Rmerge_I_all                              ? 
_reflns.pdbx_Rsym_value                                ? 
_reflns.pdbx_CC_split_method                           ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_1                 ? 
_reflns.pdbx_aniso_diffraction_limit_2                 ? 
_reflns.pdbx_aniso_diffraction_limit_3                 ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_1               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_2               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_3               ? 
_reflns.pdbx_orthogonalization_convention              ? 
_reflns.pdbx_percent_possible_ellipsoidal              ? 
_reflns.pdbx_percent_possible_spherical                ? 
_reflns.pdbx_percent_possible_ellipsoidal_anomalous    ? 
_reflns.pdbx_percent_possible_spherical_anomalous      ? 
_reflns.pdbx_redundancy_anomalous                      ? 
_reflns.pdbx_CC_half_anomalous                         ? 
_reflns.pdbx_absDiff_over_sigma_anomalous              ? 
_reflns.pdbx_percent_possible_anomalous                ? 
_reflns.pdbx_observed_signal_threshold                 ? 
_reflns.pdbx_signal_type                               ? 
_reflns.pdbx_signal_details                            ? 
_reflns.pdbx_signal_software_id                        ? 
# 
_reflns_shell.d_res_high                                    1.6 
_reflns_shell.d_res_low                                     1.657 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           1.42 
_reflns_shell.number_measured_all                           ? 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             1984 
_reflns_shell.percent_possible_obs                          ? 
_reflns_shell.Rmerge_F_all                                  ? 
_reflns_shell.Rmerge_F_obs                                  ? 
_reflns_shell.meanI_over_sigI_gt                            ? 
_reflns_shell.meanI_over_uI_all                             ? 
_reflns_shell.meanI_over_uI_gt                              ? 
_reflns_shell.number_measured_gt                            ? 
_reflns_shell.number_unique_gt                              ? 
_reflns_shell.percent_possible_gt                           ? 
_reflns_shell.Rmerge_F_gt                                   ? 
_reflns_shell.Rmerge_I_gt                                   ? 
_reflns_shell.pdbx_redundancy                               ? 
_reflns_shell.pdbx_chi_squared                              ? 
_reflns_shell.pdbx_netI_over_sigmaI_all                     ? 
_reflns_shell.pdbx_netI_over_sigmaI_obs                     ? 
_reflns_shell.pdbx_Rrim_I_all                               1.246 
_reflns_shell.pdbx_Rpim_I_all                               0.4666 
_reflns_shell.pdbx_rejects                                  ? 
_reflns_shell.pdbx_ordinal                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  0.561 
_reflns_shell.pdbx_CC_star                                  ? 
_reflns_shell.pdbx_R_split                                  ? 
_reflns_shell.percent_possible_all                          ? 
_reflns_shell.Rmerge_I_all                                  ? 
_reflns_shell.Rmerge_I_obs                                  1.151 
_reflns_shell.pdbx_Rsym_value                               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal             ? 
_reflns_shell.pdbx_percent_possible_spherical               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal_anomalous   ? 
_reflns_shell.pdbx_percent_possible_spherical_anomalous     ? 
_reflns_shell.pdbx_redundancy_anomalous                     ? 
_reflns_shell.pdbx_CC_half_anomalous                        ? 
_reflns_shell.pdbx_absDiff_over_sigma_anomalous             ? 
_reflns_shell.pdbx_percent_possible_anomalous               ? 
# 
_refine.aniso_B[1][1]                            ? 
_refine.aniso_B[1][2]                            ? 
_refine.aniso_B[1][3]                            ? 
_refine.aniso_B[2][2]                            ? 
_refine.aniso_B[2][3]                            ? 
_refine.aniso_B[3][3]                            ? 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               30.25 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               ? 
_refine.correlation_coeff_Fo_to_Fc_free          ? 
_refine.details                                  ? 
_refine.diff_density_max                         ? 
_refine.diff_density_max_esd                     ? 
_refine.diff_density_min                         ? 
_refine.diff_density_min_esd                     ? 
_refine.diff_density_rms                         ? 
_refine.diff_density_rms_esd                     ? 
_refine.entry_id                                 9CSV 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_abs_structure_details                 ? 
_refine.ls_abs_structure_Flack                   ? 
_refine.ls_abs_structure_Flack_esd               ? 
_refine.ls_abs_structure_Rogers                  ? 
_refine.ls_abs_structure_Rogers_esd              ? 
_refine.ls_d_res_high                            1.60 
_refine.ls_d_res_low                             27.38 
_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                     20108 
_refine.ls_number_reflns_R_free                  972 
_refine.ls_number_reflns_R_work                  19136 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.16 
_refine.ls_percent_reflns_R_free                 4.83 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.2074 
_refine.ls_R_factor_R_free                       0.2340 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.2061 
_refine.ls_R_Fsqd_factor_obs                     ? 
_refine.ls_R_I_factor_obs                        ? 
_refine.ls_redundancy_reflns_all                 ? 
_refine.ls_redundancy_reflns_obs                 ? 
_refine.ls_restrained_S_all                      ? 
_refine.ls_restrained_S_obs                      ? 
_refine.ls_shift_over_esd_max                    ? 
_refine.ls_shift_over_esd_mean                   ? 
_refine.ls_structure_factor_coef                 ? 
_refine.ls_weighting_details                     ? 
_refine.ls_weighting_scheme                      ? 
_refine.ls_wR_factor_all                         ? 
_refine.ls_wR_factor_obs                         ? 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_wR_factor_R_work                      ? 
_refine.occupancy_max                            ? 
_refine.occupancy_min                            ? 
_refine.solvent_model_details                    'FLAT BULK SOLVENT MODEL' 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_R_complete                          ? 
_refine.ls_R_factor_gt                           ? 
_refine.ls_goodness_of_fit_gt                    ? 
_refine.ls_goodness_of_fit_ref                   ? 
_refine.ls_shift_over_su_max                     ? 
_refine.ls_shift_over_su_max_lt                  ? 
_refine.ls_shift_over_su_mean                    ? 
_refine.ls_shift_over_su_mean_lt                 ? 
_refine.pdbx_ls_sigma_I                          ? 
_refine.pdbx_ls_sigma_F                          1.34 
_refine.pdbx_ls_sigma_Fsqd                       ? 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.pdbx_ls_cross_valid_method               'FREE R-VALUE' 
_refine.pdbx_method_to_determine_struct          'MOLECULAR REPLACEMENT' 
_refine.pdbx_starting_model                      ? 
_refine.pdbx_stereochemistry_target_values       'GeoStd + Monomer Library + CDL v1.2' 
_refine.pdbx_R_Free_selection_details            ? 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_overall_ESU_R                       ? 
_refine.pdbx_overall_ESU_R_Free                  ? 
_refine.pdbx_solvent_vdw_probe_radii             1.1000 
_refine.pdbx_solvent_ion_probe_radii             ? 
_refine.pdbx_solvent_shrinkage_radii             0.9000 
_refine.pdbx_real_space_R                        ? 
_refine.pdbx_density_correlation                 ? 
_refine.pdbx_pd_number_of_powder_patterns        ? 
_refine.pdbx_pd_number_of_points                 ? 
_refine.pdbx_pd_meas_number_of_points            ? 
_refine.pdbx_pd_proc_ls_prof_R_factor            ? 
_refine.pdbx_pd_proc_ls_prof_wR_factor           ? 
_refine.pdbx_pd_Marquardt_correlation_coeff      ? 
_refine.pdbx_pd_Fsqrd_R_factor                   ? 
_refine.pdbx_pd_ls_matrix_band_width             ? 
_refine.pdbx_overall_phase_error                 26.6103 
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI   ? 
_refine.pdbx_overall_SU_R_free_Blow_DPI          ? 
_refine.pdbx_overall_SU_R_Blow_DPI               ? 
_refine.pdbx_TLS_residual_ADP_flag               ? 
_refine.pdbx_diffrn_id                           1 
_refine.overall_SU_B                             ? 
_refine.overall_SU_ML                            0.2017 
_refine.overall_SU_R_Cruickshank_DPI             ? 
_refine.overall_SU_R_free                        ? 
_refine.overall_FOM_free_R_set                   ? 
_refine.overall_FOM_work_R_set                   ? 
_refine.pdbx_average_fsc_overall                 ? 
_refine.pdbx_average_fsc_work                    ? 
_refine.pdbx_average_fsc_free                    ? 
# 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.cycle_id                         LAST 
_refine_hist.details                          ? 
_refine_hist.d_res_high                       1.60 
_refine_hist.d_res_low                        27.38 
_refine_hist.number_atoms_solvent             96 
_refine_hist.number_atoms_total               1056 
_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        926 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         34 
_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' ? 0.0074  ? 1036 ? f_bond_d           ? ? 
'X-RAY DIFFRACTION' ? 0.9470  ? 1428 ? f_angle_d          ? ? 
'X-RAY DIFFRACTION' ? 0.0541  ? 159  ? f_chiral_restr     ? ? 
'X-RAY DIFFRACTION' ? 0.0057  ? 180  ? f_plane_restr      ? ? 
'X-RAY DIFFRACTION' ? 15.0713 ? 348  ? f_dihedral_angle_d ? ? 
# 
loop_
_refine_ls_shell.pdbx_refine_id 
_refine_ls_shell.d_res_high 
_refine_ls_shell.d_res_low 
_refine_ls_shell.number_reflns_all 
_refine_ls_shell.number_reflns_obs 
_refine_ls_shell.number_reflns_R_free 
_refine_ls_shell.number_reflns_R_work 
_refine_ls_shell.percent_reflns_obs 
_refine_ls_shell.percent_reflns_R_free 
_refine_ls_shell.R_factor_all 
_refine_ls_shell.R_factor_obs 
_refine_ls_shell.R_factor_R_free_error 
_refine_ls_shell.R_factor_R_work 
_refine_ls_shell.redundancy_reflns_all 
_refine_ls_shell.redundancy_reflns_obs 
_refine_ls_shell.wR_factor_all 
_refine_ls_shell.wR_factor_obs 
_refine_ls_shell.wR_factor_R_free 
_refine_ls_shell.wR_factor_R_work 
_refine_ls_shell.pdbx_R_complete 
_refine_ls_shell.pdbx_total_number_of_bins_used 
_refine_ls_shell.pdbx_phase_error 
_refine_ls_shell.pdbx_fsc_work 
_refine_ls_shell.pdbx_fsc_free 
_refine_ls_shell.R_factor_R_free 
'X-RAY DIFFRACTION' 1.60 1.68  . . 163 2676 99.93 . . . . 0.3413 . . . . . . . . . . . 0.3599 
'X-RAY DIFFRACTION' 1.68 1.79  . . 131 2695 99.75 . . . . 0.2817 . . . . . . . . . . . 0.2804 
'X-RAY DIFFRACTION' 1.79 1.93  . . 122 2723 99.72 . . . . 0.2514 . . . . . . . . . . . 0.2392 
'X-RAY DIFFRACTION' 1.93 2.12  . . 153 2702 99.83 . . . . 0.2243 . . . . . . . . . . . 0.2291 
'X-RAY DIFFRACTION' 2.12 2.43  . . 142 2721 99.20 . . . . 0.2141 . . . . . . . . . . . 0.2633 
'X-RAY DIFFRACTION' 2.43 3.06  . . 117 2781 99.11 . . . . 0.2016 . . . . . . . . . . . 0.2097 
'X-RAY DIFFRACTION' 3.06 27.38 . . 144 2838 96.79 . . . . 0.1749 . . . . . . . . . . . 0.2149 
# 
_struct.entry_id                     9CSV 
_struct.title                        
'Streptavidin-E101Q-S112Y-K121A bound to Cu(II)-biotin-ethyl-dipicolylamine cofactor, oxidized by hydrogen peroxide' 
_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        9CSV 
_struct_keywords.text            'biotin-streptavidin complex, artificial metalloprotein, METAL BINDING PROTEIN' 
_struct_keywords.pdbx_keywords   'METAL BINDING PROTEIN' 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 2 ? 
C N N 3 ? 
D N N 4 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    SAV_STRAV 
_struct_ref.pdbx_db_accession          P22629 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;EAGITGTWYNQLGSTFIVTAGADGALTGTYESAVGNAESRYVLTGRYDSAPATDGSGTALGWTVAWKNNYRNAHSATTWS
GQYVGGAEARINTQWLLTSGTTEANAWKSTLVGHDTFTKVKPSAASIDAAKKAGVNNGNPLDAVQQ
;
_struct_ref.pdbx_align_begin           38 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              9CSV 
_struct_ref_seq.pdbx_strand_id                A 
_struct_ref_seq.seq_align_beg                 14 
_struct_ref_seq.pdbx_seq_align_beg_ins_code   ? 
_struct_ref_seq.seq_align_end                 159 
_struct_ref_seq.pdbx_seq_align_end_ins_code   ? 
_struct_ref_seq.pdbx_db_accession             P22629 
_struct_ref_seq.db_align_beg                  38 
_struct_ref_seq.pdbx_db_align_beg_ins_code    ? 
_struct_ref_seq.db_align_end                  183 
_struct_ref_seq.pdbx_db_align_end_ins_code    ? 
_struct_ref_seq.pdbx_auth_seq_align_beg       14 
_struct_ref_seq.pdbx_auth_seq_align_end       159 
# 
loop_
_struct_ref_seq_dif.align_id 
_struct_ref_seq_dif.pdbx_pdb_id_code 
_struct_ref_seq_dif.mon_id 
_struct_ref_seq_dif.pdbx_pdb_strand_id 
_struct_ref_seq_dif.seq_num 
_struct_ref_seq_dif.pdbx_pdb_ins_code 
_struct_ref_seq_dif.pdbx_seq_db_name 
_struct_ref_seq_dif.pdbx_seq_db_accession_code 
_struct_ref_seq_dif.db_mon_id 
_struct_ref_seq_dif.pdbx_seq_db_seq_num 
_struct_ref_seq_dif.details 
_struct_ref_seq_dif.pdbx_auth_seq_num 
_struct_ref_seq_dif.pdbx_ordinal 
1 9CSV MET A 1   ? UNP P22629 ?   ?   'expression tag' 1   1  
1 9CSV ALA A 2   ? UNP P22629 ?   ?   'expression tag' 2   2  
1 9CSV SER A 3   ? UNP P22629 ?   ?   'expression tag' 3   3  
1 9CSV MET A 4   ? UNP P22629 ?   ?   'expression tag' 4   4  
1 9CSV THR A 5   ? UNP P22629 ?   ?   'expression tag' 5   5  
1 9CSV GLY A 6   ? UNP P22629 ?   ?   'expression tag' 6   6  
1 9CSV GLY A 7   ? UNP P22629 ?   ?   'expression tag' 7   7  
1 9CSV GLN A 8   ? UNP P22629 ?   ?   'expression tag' 8   8  
1 9CSV GLN A 9   ? UNP P22629 ?   ?   'expression tag' 9   9  
1 9CSV MET A 10  ? UNP P22629 ?   ?   'expression tag' 10  10 
1 9CSV GLY A 11  ? UNP P22629 ?   ?   'expression tag' 11  11 
1 9CSV ARG A 12  ? UNP P22629 ?   ?   'expression tag' 12  12 
1 9CSV ASP A 13  ? UNP P22629 ?   ?   'expression tag' 13  13 
1 9CSV GLN A 101 ? UNP P22629 GLU 125 conflict         101 14 
1 9CSV TYR A 112 ? UNP P22629 SER 136 conflict         112 15 
1 9CSV ALA A 121 ? UNP P22629 LYS 145 conflict         121 16 
# 
_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   tetrameric 
_pdbx_struct_assembly.oligomeric_count     4 
# 
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)' 10040 ? 
1 MORE         -96   ? 
1 'SSA (A^2)'  18660 ? 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1,2,3,4 
_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   'gel filtration' 
_pdbx_struct_assembly_auth_evidence.details                ? 
# 
loop_
_pdbx_struct_oper_list.id 
_pdbx_struct_oper_list.type 
_pdbx_struct_oper_list.name 
_pdbx_struct_oper_list.symmetry_operation 
_pdbx_struct_oper_list.matrix[1][1] 
_pdbx_struct_oper_list.matrix[1][2] 
_pdbx_struct_oper_list.matrix[1][3] 
_pdbx_struct_oper_list.vector[1] 
_pdbx_struct_oper_list.matrix[2][1] 
_pdbx_struct_oper_list.matrix[2][2] 
_pdbx_struct_oper_list.matrix[2][3] 
_pdbx_struct_oper_list.vector[2] 
_pdbx_struct_oper_list.matrix[3][1] 
_pdbx_struct_oper_list.matrix[3][2] 
_pdbx_struct_oper_list.matrix[3][3] 
_pdbx_struct_oper_list.vector[3] 
1 'identity operation'         1_555  x,y,z        1.0000000000  0.0000000000  0.0000000000 0.0000000000  0.0000000000  
1.0000000000  0.0000000000 0.0000000000  0.0000000000 0.0000000000 1.0000000000  0.0000000000 
2 'crystal symmetry operation' 8_665  -y+1,-x+1,-z 0.0000000000  -1.0000000000 0.0000000000 57.5500000000 -1.0000000000 
0.0000000000  0.0000000000 57.5500000000 0.0000000000 0.0000000000 -1.0000000000 0.0000000000 
3 'crystal symmetry operation' 10_665 -x+1,-y+1,z  -1.0000000000 0.0000000000  0.0000000000 57.5500000000 0.0000000000  
-1.0000000000 0.0000000000 57.5500000000 0.0000000000 0.0000000000 1.0000000000  0.0000000000 
4 'crystal symmetry operation' 15_555 y,x,-z       0.0000000000  1.0000000000  0.0000000000 0.0000000000  1.0000000000  
0.0000000000  0.0000000000 0.0000000000  0.0000000000 0.0000000000 -1.0000000000 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 ASP A 13  ? THR A 18  ? ASP A 13  THR A 18  1 ? 6 
HELX_P HELX_P2 AA2 THR A 115 ? ALA A 121 ? THR A 115 ALA A 121 5 ? 7 
# 
_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 
metalc1 metalc ? ? A ASN 49 OD1 B ? ? 1_555 C CU  . CU ? ? A ASN 49  A CU  202 1_555 ? ? ? ? ? ? ? 2.434 ? ? 
metalc2 metalc ? ? B QG7 .  N3  ? ? ? 1_555 C CU  . CU ? ? A QG7 201 A CU  202 1_555 ? ? ? ? ? ? ? 2.127 ? ? 
metalc3 metalc ? ? B QG7 .  N4  ? ? ? 1_555 C CU  . CU ? ? A QG7 201 A CU  202 1_555 ? ? ? ? ? ? ? 1.945 ? ? 
metalc4 metalc ? ? B QG7 .  N5  ? ? ? 1_555 C CU  . CU ? ? A QG7 201 A CU  202 1_555 ? ? ? ? ? ? ? 2.026 ? ? 
metalc5 metalc ? ? C CU  .  CU  ? ? ? 1_555 D HOH . O  ? ? A CU  202 A HOH 372 1_555 ? ? ? ? ? ? ? 2.459 ? ? 
# 
_struct_conn_type.id          metalc 
_struct_conn_type.criteria    ? 
_struct_conn_type.reference   ? 
# 
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  OD1 B A ASN 49 ? A ASN 49  ? 1_555 CU ? C CU . ? A CU 202 ? 1_555 N3 ? B QG7 . ? A QG7 201 ? 1_555 107.9 ? 
2  OD1 B A ASN 49 ? A ASN 49  ? 1_555 CU ? C CU . ? A CU 202 ? 1_555 N4 ? B QG7 . ? A QG7 201 ? 1_555 92.9  ? 
3  N3  ? B QG7 .  ? A QG7 201 ? 1_555 CU ? C CU . ? A CU 202 ? 1_555 N4 ? B QG7 . ? A QG7 201 ? 1_555 84.3  ? 
4  OD1 B A ASN 49 ? A ASN 49  ? 1_555 CU ? C CU . ? A CU 202 ? 1_555 N5 ? B QG7 . ? A QG7 201 ? 1_555 90.5  ? 
5  N3  ? B QG7 .  ? A QG7 201 ? 1_555 CU ? C CU . ? A CU 202 ? 1_555 N5 ? B QG7 . ? A QG7 201 ? 1_555 78.8  ? 
6  N4  ? B QG7 .  ? A QG7 201 ? 1_555 CU ? C CU . ? A CU 202 ? 1_555 N5 ? B QG7 . ? A QG7 201 ? 1_555 162.9 ? 
7  OD1 B A ASN 49 ? A ASN 49  ? 1_555 CU ? C CU . ? A CU 202 ? 1_555 O  ? D HOH . ? A HOH 372 ? 1_555 84.0  ? 
8  N3  ? B QG7 .  ? A QG7 201 ? 1_555 CU ? C CU . ? A CU 202 ? 1_555 O  ? D HOH . ? A HOH 372 ? 1_555 168.1 ? 
9  N4  ? B QG7 .  ? A QG7 201 ? 1_555 CU ? C CU . ? A CU 202 ? 1_555 O  ? D HOH . ? A HOH 372 ? 1_555 95.8  ? 
10 N5  ? B QG7 .  ? A QG7 201 ? 1_555 CU ? C CU . ? A CU 202 ? 1_555 O  ? D HOH . ? A HOH 372 ? 1_555 101.2 ? 
# 
_struct_sheet.id               AA1 
_struct_sheet.type             ? 
_struct_sheet.number_strands   9 
_struct_sheet.details          ? 
# 
loop_
_struct_sheet_order.sheet_id 
_struct_sheet_order.range_id_1 
_struct_sheet_order.range_id_2 
_struct_sheet_order.offset 
_struct_sheet_order.sense 
AA1 1 2 ? anti-parallel 
AA1 2 3 ? anti-parallel 
AA1 3 4 ? anti-parallel 
AA1 4 5 ? anti-parallel 
AA1 5 6 ? anti-parallel 
AA1 6 7 ? anti-parallel 
AA1 7 8 ? anti-parallel 
AA1 8 9 ? 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 GLY A 19  ? TYR A 22  ? GLY A 19  TYR A 22  
AA1 2 THR A 28  ? ALA A 33  ? THR A 28  ALA A 33  
AA1 3 ALA A 38  ? GLU A 44  ? ALA A 38  GLU A 44  
AA1 4 TYR A 54  ? TYR A 60  ? TYR A 54  TYR A 60  
AA1 5 THR A 71  ? LYS A 80  ? THR A 71  LYS A 80  
AA1 6 ASN A 85  ? VAL A 97  ? ASN A 85  VAL A 97  
AA1 7 ARG A 103 ? TYR A 112 ? ARG A 103 TYR A 112 
AA1 8 THR A 123 ? THR A 131 ? THR A 123 THR A 131 
AA1 9 GLY A 19  ? TYR A 22  ? GLY A 19  TYR A 22  
# 
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 TRP A 21  ? N TRP A 21  O PHE A 29  ? O PHE A 29  
AA1 2 3 N THR A 28  ? N THR A 28  O GLU A 44  ? O GLU A 44  
AA1 3 4 N TYR A 43  ? N TYR A 43  O TYR A 54  ? O TYR A 54  
AA1 4 5 N THR A 57  ? N THR A 57  O THR A 76  ? O THR A 76  
AA1 5 6 N TRP A 79  ? N TRP A 79  O SER A 88  ? O SER A 88  
AA1 6 7 N VAL A 97  ? N VAL A 97  O ARG A 103 ? O ARG A 103 
AA1 7 8 N ILE A 104 ? N ILE A 104 O PHE A 130 ? O PHE A 130 
AA1 8 9 O THR A 131 ? O THR A 131 N TYR A 22  ? N TYR A 22  
# 
_pdbx_entry_details.entry_id                   9CSV 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.has_ligand_of_interest     Y 
_pdbx_entry_details.has_protein_modification   N 
# 
_pdbx_validate_close_contact.id               1 
_pdbx_validate_close_contact.PDB_model_num    1 
_pdbx_validate_close_contact.auth_atom_id_1   O 
_pdbx_validate_close_contact.auth_asym_id_1   A 
_pdbx_validate_close_contact.auth_comp_id_1   HOH 
_pdbx_validate_close_contact.auth_seq_id_1    352 
_pdbx_validate_close_contact.PDB_ins_code_1   ? 
_pdbx_validate_close_contact.label_alt_id_1   ? 
_pdbx_validate_close_contact.auth_atom_id_2   O 
_pdbx_validate_close_contact.auth_asym_id_2   A 
_pdbx_validate_close_contact.auth_comp_id_2   HOH 
_pdbx_validate_close_contact.auth_seq_id_2    381 
_pdbx_validate_close_contact.PDB_ins_code_2   ? 
_pdbx_validate_close_contact.label_alt_id_2   ? 
_pdbx_validate_close_contact.dist             2.06 
# 
_pdbx_validate_symm_contact.id                1 
_pdbx_validate_symm_contact.PDB_model_num     1 
_pdbx_validate_symm_contact.auth_atom_id_1    O 
_pdbx_validate_symm_contact.auth_asym_id_1    A 
_pdbx_validate_symm_contact.auth_comp_id_1    HOH 
_pdbx_validate_symm_contact.auth_seq_id_1     383 
_pdbx_validate_symm_contact.PDB_ins_code_1    ? 
_pdbx_validate_symm_contact.label_alt_id_1    ? 
_pdbx_validate_symm_contact.site_symmetry_1   1_555 
_pdbx_validate_symm_contact.auth_atom_id_2    O 
_pdbx_validate_symm_contact.auth_asym_id_2    A 
_pdbx_validate_symm_contact.auth_comp_id_2    HOH 
_pdbx_validate_symm_contact.auth_seq_id_2     384 
_pdbx_validate_symm_contact.PDB_ins_code_2    ? 
_pdbx_validate_symm_contact.label_alt_id_2    ? 
_pdbx_validate_symm_contact.site_symmetry_2   10_565 
_pdbx_validate_symm_contact.dist              2.09 
# 
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 SER A 52 ? ? 62.07  -153.29 
2 1 TRP A 79 ? ? -90.85 51.86   
# 
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 A HOH 318 ? D HOH . 
2 1 A HOH 322 ? D HOH . 
3 1 A HOH 379 ? D HOH . 
# 
loop_
_space_group_symop.id 
_space_group_symop.operation_xyz 
1  x,y,z                
2  -y+1/2,x,z+3/4       
3  y+1/2,-x,z+3/4       
4  x+1/2,-y,-z+3/4      
5  -x+1/2,y,-z+3/4      
6  -x,-y,z              
7  y,x,-z               
8  -y,-x,-z             
9  x+1/2,y+1/2,z+1/2    
10 -y+1,x+1/2,z+5/4     
11 y+1,-x+1/2,z+5/4     
12 x+1,-y+1/2,-z+5/4    
13 -x+1,y+1/2,-z+5/4    
14 -x+1/2,-y+1/2,z+1/2  
15 y+1/2,x+1/2,-z+1/2   
16 -y+1/2,-x+1/2,-z+1/2 
# 
loop_
_pdbx_distant_solvent_atoms.id 
_pdbx_distant_solvent_atoms.PDB_model_num 
_pdbx_distant_solvent_atoms.auth_atom_id 
_pdbx_distant_solvent_atoms.label_alt_id 
_pdbx_distant_solvent_atoms.auth_asym_id 
_pdbx_distant_solvent_atoms.auth_comp_id 
_pdbx_distant_solvent_atoms.auth_seq_id 
_pdbx_distant_solvent_atoms.PDB_ins_code 
_pdbx_distant_solvent_atoms.neighbor_macromolecule_distance 
_pdbx_distant_solvent_atoms.neighbor_ligand_distance 
1 1 O ? A HOH 395 ? 7.71 . 
2 1 O ? A HOH 396 ? 8.90 . 
# 
loop_
_pdbx_unobs_or_zero_occ_residues.id 
_pdbx_unobs_or_zero_occ_residues.PDB_model_num 
_pdbx_unobs_or_zero_occ_residues.polymer_flag 
_pdbx_unobs_or_zero_occ_residues.occupancy_flag 
_pdbx_unobs_or_zero_occ_residues.auth_asym_id 
_pdbx_unobs_or_zero_occ_residues.auth_comp_id 
_pdbx_unobs_or_zero_occ_residues.auth_seq_id 
_pdbx_unobs_or_zero_occ_residues.PDB_ins_code 
_pdbx_unobs_or_zero_occ_residues.label_asym_id 
_pdbx_unobs_or_zero_occ_residues.label_comp_id 
_pdbx_unobs_or_zero_occ_residues.label_seq_id 
1  1 Y 1 A MET 1   ? A MET 1   
2  1 Y 1 A ALA 2   ? A ALA 2   
3  1 Y 1 A SER 3   ? A SER 3   
4  1 Y 1 A MET 4   ? A MET 4   
5  1 Y 1 A THR 5   ? A THR 5   
6  1 Y 1 A GLY 6   ? A GLY 6   
7  1 Y 1 A GLY 7   ? A GLY 7   
8  1 Y 1 A GLN 8   ? A GLN 8   
9  1 Y 1 A GLN 9   ? A GLN 9   
10 1 Y 1 A MET 10  ? A MET 10  
11 1 Y 1 A GLY 11  ? A GLY 11  
12 1 Y 1 A PRO 135 ? A PRO 135 
13 1 Y 1 A SER 136 ? A SER 136 
14 1 Y 1 A ALA 137 ? A ALA 137 
15 1 Y 1 A ALA 138 ? A ALA 138 
16 1 Y 1 A SER 139 ? A SER 139 
17 1 Y 1 A ILE 140 ? A ILE 140 
18 1 Y 1 A ASP 141 ? A ASP 141 
19 1 Y 1 A ALA 142 ? A ALA 142 
20 1 Y 1 A ALA 143 ? A ALA 143 
21 1 Y 1 A LYS 144 ? A LYS 144 
22 1 Y 1 A LYS 145 ? A LYS 145 
23 1 Y 1 A ALA 146 ? A ALA 146 
24 1 Y 1 A GLY 147 ? A GLY 147 
25 1 Y 1 A VAL 148 ? A VAL 148 
26 1 Y 1 A ASN 149 ? A ASN 149 
27 1 Y 1 A ASN 150 ? A ASN 150 
28 1 Y 1 A GLY 151 ? A GLY 151 
29 1 Y 1 A ASN 152 ? A ASN 152 
30 1 Y 1 A PRO 153 ? A PRO 153 
31 1 Y 1 A LEU 154 ? A LEU 154 
32 1 Y 1 A ASP 155 ? A ASP 155 
33 1 Y 1 A ALA 156 ? A ALA 156 
34 1 Y 1 A VAL 157 ? A VAL 157 
35 1 Y 1 A GLN 158 ? A GLN 158 
36 1 Y 1 A GLN 159 ? A GLN 159 
# 
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  
CU  CU   CU N N 74  
GLN N    N  N N 75  
GLN CA   C  N S 76  
GLN C    C  N N 77  
GLN O    O  N N 78  
GLN CB   C  N N 79  
GLN CG   C  N N 80  
GLN CD   C  N N 81  
GLN OE1  O  N N 82  
GLN NE2  N  N N 83  
GLN OXT  O  N N 84  
GLN H    H  N N 85  
GLN H2   H  N N 86  
GLN HA   H  N N 87  
GLN HB2  H  N N 88  
GLN HB3  H  N N 89  
GLN HG2  H  N N 90  
GLN HG3  H  N N 91  
GLN HE21 H  N N 92  
GLN HE22 H  N N 93  
GLN HXT  H  N N 94  
GLU N    N  N N 95  
GLU CA   C  N S 96  
GLU C    C  N N 97  
GLU O    O  N N 98  
GLU CB   C  N N 99  
GLU CG   C  N N 100 
GLU CD   C  N N 101 
GLU OE1  O  N N 102 
GLU OE2  O  N N 103 
GLU OXT  O  N N 104 
GLU H    H  N N 105 
GLU H2   H  N N 106 
GLU HA   H  N N 107 
GLU HB2  H  N N 108 
GLU HB3  H  N N 109 
GLU HG2  H  N N 110 
GLU HG3  H  N N 111 
GLU HE2  H  N N 112 
GLU HXT  H  N N 113 
GLY N    N  N N 114 
GLY CA   C  N N 115 
GLY C    C  N N 116 
GLY O    O  N N 117 
GLY OXT  O  N N 118 
GLY H    H  N N 119 
GLY H2   H  N N 120 
GLY HA2  H  N N 121 
GLY HA3  H  N N 122 
GLY HXT  H  N N 123 
HIS N    N  N N 124 
HIS CA   C  N S 125 
HIS C    C  N N 126 
HIS O    O  N N 127 
HIS CB   C  N N 128 
HIS CG   C  Y N 129 
HIS ND1  N  Y N 130 
HIS CD2  C  Y N 131 
HIS CE1  C  Y N 132 
HIS NE2  N  Y N 133 
HIS OXT  O  N N 134 
HIS H    H  N N 135 
HIS H2   H  N N 136 
HIS HA   H  N N 137 
HIS HB2  H  N N 138 
HIS HB3  H  N N 139 
HIS HD1  H  N N 140 
HIS HD2  H  N N 141 
HIS HE1  H  N N 142 
HIS HE2  H  N N 143 
HIS HXT  H  N N 144 
HOH O    O  N N 145 
HOH H1   H  N N 146 
HOH H2   H  N N 147 
ILE N    N  N N 148 
ILE CA   C  N S 149 
ILE C    C  N N 150 
ILE O    O  N N 151 
ILE CB   C  N S 152 
ILE CG1  C  N N 153 
ILE CG2  C  N N 154 
ILE CD1  C  N N 155 
ILE OXT  O  N N 156 
ILE H    H  N N 157 
ILE H2   H  N N 158 
ILE HA   H  N N 159 
ILE HB   H  N N 160 
ILE HG12 H  N N 161 
ILE HG13 H  N N 162 
ILE HG21 H  N N 163 
ILE HG22 H  N N 164 
ILE HG23 H  N N 165 
ILE HD11 H  N N 166 
ILE HD12 H  N N 167 
ILE HD13 H  N N 168 
ILE HXT  H  N N 169 
LEU N    N  N N 170 
LEU CA   C  N S 171 
LEU C    C  N N 172 
LEU O    O  N N 173 
LEU CB   C  N N 174 
LEU CG   C  N N 175 
LEU CD1  C  N N 176 
LEU CD2  C  N N 177 
LEU OXT  O  N N 178 
LEU H    H  N N 179 
LEU H2   H  N N 180 
LEU HA   H  N N 181 
LEU HB2  H  N N 182 
LEU HB3  H  N N 183 
LEU HG   H  N N 184 
LEU HD11 H  N N 185 
LEU HD12 H  N N 186 
LEU HD13 H  N N 187 
LEU HD21 H  N N 188 
LEU HD22 H  N N 189 
LEU HD23 H  N N 190 
LEU HXT  H  N N 191 
LYS N    N  N N 192 
LYS CA   C  N S 193 
LYS C    C  N N 194 
LYS O    O  N N 195 
LYS CB   C  N N 196 
LYS CG   C  N N 197 
LYS CD   C  N N 198 
LYS CE   C  N N 199 
LYS NZ   N  N N 200 
LYS OXT  O  N N 201 
LYS H    H  N N 202 
LYS H2   H  N N 203 
LYS HA   H  N N 204 
LYS HB2  H  N N 205 
LYS HB3  H  N N 206 
LYS HG2  H  N N 207 
LYS HG3  H  N N 208 
LYS HD2  H  N N 209 
LYS HD3  H  N N 210 
LYS HE2  H  N N 211 
LYS HE3  H  N N 212 
LYS HZ1  H  N N 213 
LYS HZ2  H  N N 214 
LYS HZ3  H  N N 215 
LYS HXT  H  N N 216 
MET N    N  N N 217 
MET CA   C  N S 218 
MET C    C  N N 219 
MET O    O  N N 220 
MET CB   C  N N 221 
MET CG   C  N N 222 
MET SD   S  N N 223 
MET CE   C  N N 224 
MET OXT  O  N N 225 
MET H    H  N N 226 
MET H2   H  N N 227 
MET HA   H  N N 228 
MET HB2  H  N N 229 
MET HB3  H  N N 230 
MET HG2  H  N N 231 
MET HG3  H  N N 232 
MET HE1  H  N N 233 
MET HE2  H  N N 234 
MET HE3  H  N N 235 
MET HXT  H  N N 236 
PHE N    N  N N 237 
PHE CA   C  N S 238 
PHE C    C  N N 239 
PHE O    O  N N 240 
PHE CB   C  N N 241 
PHE CG   C  Y N 242 
PHE CD1  C  Y N 243 
PHE CD2  C  Y N 244 
PHE CE1  C  Y N 245 
PHE CE2  C  Y N 246 
PHE CZ   C  Y N 247 
PHE OXT  O  N N 248 
PHE H    H  N N 249 
PHE H2   H  N N 250 
PHE HA   H  N N 251 
PHE HB2  H  N N 252 
PHE HB3  H  N N 253 
PHE HD1  H  N N 254 
PHE HD2  H  N N 255 
PHE HE1  H  N N 256 
PHE HE2  H  N N 257 
PHE HZ   H  N N 258 
PHE HXT  H  N N 259 
PRO N    N  N N 260 
PRO CA   C  N S 261 
PRO C    C  N N 262 
PRO O    O  N N 263 
PRO CB   C  N N 264 
PRO CG   C  N N 265 
PRO CD   C  N N 266 
PRO OXT  O  N N 267 
PRO H    H  N N 268 
PRO HA   H  N N 269 
PRO HB2  H  N N 270 
PRO HB3  H  N N 271 
PRO HG2  H  N N 272 
PRO HG3  H  N N 273 
PRO HD2  H  N N 274 
PRO HD3  H  N N 275 
PRO HXT  H  N N 276 
QG7 C10  C  N S 277 
QG7 C15  C  Y N 278 
QG7 C17  C  N N 279 
QG7 C11  C  N N 280 
QG7 C12  C  Y N 281 
QG7 C14  C  Y N 282 
QG7 O2   O  N N 283 
QG7 C9   C  N N 284 
QG7 N1   N  N N 285 
QG7 N2   N  N N 286 
QG7 C8   C  N R 287 
QG7 C7   C  N N 288 
QG7 S1   S  N N 289 
QG7 C6   C  N S 290 
QG7 C5   C  N N 291 
QG7 C4   C  N N 292 
QG7 C3   C  N N 293 
QG7 C2   C  N N 294 
QG7 C1   C  N N 295 
QG7 C24  C  N N 296 
QG7 O1   O  N N 297 
QG7 N6   N  N N 298 
QG7 C23  C  N N 299 
QG7 N3   N  N N 300 
QG7 N4   N  Y N 301 
QG7 C16  C  Y N 302 
QG7 C13  C  Y N 303 
QG7 N5   N  Y N 304 
QG7 C18  C  Y N 305 
QG7 C22  C  Y N 306 
QG7 C21  C  Y N 307 
QG7 C20  C  Y N 308 
QG7 C19  C  Y N 309 
QG7 H1   H  N N 310 
QG7 H2   H  N N 311 
QG7 H3   H  N N 312 
QG7 H4   H  N N 313 
QG7 H5   H  N N 314 
QG7 H6   H  N N 315 
QG7 H7   H  N N 316 
QG7 H8   H  N N 317 
QG7 H9   H  N N 318 
QG7 H10  H  N N 319 
QG7 H11  H  N N 320 
QG7 H12  H  N N 321 
QG7 H13  H  N N 322 
QG7 H14  H  N N 323 
QG7 H15  H  N N 324 
QG7 H16  H  N N 325 
QG7 H17  H  N N 326 
QG7 H18  H  N N 327 
QG7 H19  H  N N 328 
QG7 H20  H  N N 329 
QG7 H21  H  N N 330 
QG7 H22  H  N N 331 
QG7 H23  H  N N 332 
QG7 H24  H  N N 333 
QG7 H25  H  N N 334 
QG7 H26  H  N N 335 
QG7 H28  H  N N 336 
QG7 H29  H  N N 337 
QG7 H30  H  N N 338 
QG7 H31  H  N N 339 
QG7 H32  H  N N 340 
QG7 H33  H  N N 341 
SER N    N  N N 342 
SER CA   C  N S 343 
SER C    C  N N 344 
SER O    O  N N 345 
SER CB   C  N N 346 
SER OG   O  N N 347 
SER OXT  O  N N 348 
SER H    H  N N 349 
SER H2   H  N N 350 
SER HA   H  N N 351 
SER HB2  H  N N 352 
SER HB3  H  N N 353 
SER HG   H  N N 354 
SER HXT  H  N N 355 
THR N    N  N N 356 
THR CA   C  N S 357 
THR C    C  N N 358 
THR O    O  N N 359 
THR CB   C  N R 360 
THR OG1  O  N N 361 
THR CG2  C  N N 362 
THR OXT  O  N N 363 
THR H    H  N N 364 
THR H2   H  N N 365 
THR HA   H  N N 366 
THR HB   H  N N 367 
THR HG1  H  N N 368 
THR HG21 H  N N 369 
THR HG22 H  N N 370 
THR HG23 H  N N 371 
THR HXT  H  N N 372 
TRP N    N  N N 373 
TRP CA   C  N S 374 
TRP C    C  N N 375 
TRP O    O  N N 376 
TRP CB   C  N N 377 
TRP CG   C  Y N 378 
TRP CD1  C  Y N 379 
TRP CD2  C  Y N 380 
TRP NE1  N  Y N 381 
TRP CE2  C  Y N 382 
TRP CE3  C  Y N 383 
TRP CZ2  C  Y N 384 
TRP CZ3  C  Y N 385 
TRP CH2  C  Y N 386 
TRP OXT  O  N N 387 
TRP H    H  N N 388 
TRP H2   H  N N 389 
TRP HA   H  N N 390 
TRP HB2  H  N N 391 
TRP HB3  H  N N 392 
TRP HD1  H  N N 393 
TRP HE1  H  N N 394 
TRP HE3  H  N N 395 
TRP HZ2  H  N N 396 
TRP HZ3  H  N N 397 
TRP HH2  H  N N 398 
TRP HXT  H  N N 399 
TYR N    N  N N 400 
TYR CA   C  N S 401 
TYR C    C  N N 402 
TYR O    O  N N 403 
TYR CB   C  N N 404 
TYR CG   C  Y N 405 
TYR CD1  C  Y N 406 
TYR CD2  C  Y N 407 
TYR CE1  C  Y N 408 
TYR CE2  C  Y N 409 
TYR CZ   C  Y N 410 
TYR OH   O  N N 411 
TYR OXT  O  N N 412 
TYR H    H  N N 413 
TYR H2   H  N N 414 
TYR HA   H  N N 415 
TYR HB2  H  N N 416 
TYR HB3  H  N N 417 
TYR HD1  H  N N 418 
TYR HD2  H  N N 419 
TYR HE1  H  N N 420 
TYR HE2  H  N N 421 
TYR HH   H  N N 422 
TYR HXT  H  N N 423 
VAL N    N  N N 424 
VAL CA   C  N S 425 
VAL C    C  N N 426 
VAL O    O  N N 427 
VAL CB   C  N N 428 
VAL CG1  C  N N 429 
VAL CG2  C  N N 430 
VAL OXT  O  N N 431 
VAL H    H  N N 432 
VAL H2   H  N N 433 
VAL HA   H  N N 434 
VAL HB   H  N N 435 
VAL HG11 H  N N 436 
VAL HG12 H  N N 437 
VAL HG13 H  N N 438 
VAL HG21 H  N N 439 
VAL HG22 H  N N 440 
VAL HG23 H  N N 441 
VAL HXT  H  N N 442 
# 
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  
GLN N   CA   sing N N 70  
GLN N   H    sing N N 71  
GLN N   H2   sing N N 72  
GLN CA  C    sing N N 73  
GLN CA  CB   sing N N 74  
GLN CA  HA   sing N N 75  
GLN C   O    doub N N 76  
GLN C   OXT  sing N N 77  
GLN CB  CG   sing N N 78  
GLN CB  HB2  sing N N 79  
GLN CB  HB3  sing N N 80  
GLN CG  CD   sing N N 81  
GLN CG  HG2  sing N N 82  
GLN CG  HG3  sing N N 83  
GLN CD  OE1  doub N N 84  
GLN CD  NE2  sing N N 85  
GLN NE2 HE21 sing N N 86  
GLN NE2 HE22 sing N N 87  
GLN OXT HXT  sing N N 88  
GLU N   CA   sing N N 89  
GLU N   H    sing N N 90  
GLU N   H2   sing N N 91  
GLU CA  C    sing N N 92  
GLU CA  CB   sing N N 93  
GLU CA  HA   sing N N 94  
GLU C   O    doub N N 95  
GLU C   OXT  sing N N 96  
GLU CB  CG   sing N N 97  
GLU CB  HB2  sing N N 98  
GLU CB  HB3  sing N N 99  
GLU CG  CD   sing N N 100 
GLU CG  HG2  sing N N 101 
GLU CG  HG3  sing N N 102 
GLU CD  OE1  doub N N 103 
GLU CD  OE2  sing N N 104 
GLU OE2 HE2  sing N N 105 
GLU OXT HXT  sing N N 106 
GLY N   CA   sing N N 107 
GLY N   H    sing N N 108 
GLY N   H2   sing N N 109 
GLY CA  C    sing N N 110 
GLY CA  HA2  sing N N 111 
GLY CA  HA3  sing N N 112 
GLY C   O    doub N N 113 
GLY C   OXT  sing N N 114 
GLY OXT HXT  sing N N 115 
HIS N   CA   sing N N 116 
HIS N   H    sing N N 117 
HIS N   H2   sing N N 118 
HIS CA  C    sing N N 119 
HIS CA  CB   sing N N 120 
HIS CA  HA   sing N N 121 
HIS C   O    doub N N 122 
HIS C   OXT  sing N N 123 
HIS CB  CG   sing N N 124 
HIS CB  HB2  sing N N 125 
HIS CB  HB3  sing N N 126 
HIS CG  ND1  sing Y N 127 
HIS CG  CD2  doub Y N 128 
HIS ND1 CE1  doub Y N 129 
HIS ND1 HD1  sing N N 130 
HIS CD2 NE2  sing Y N 131 
HIS CD2 HD2  sing N N 132 
HIS CE1 NE2  sing Y N 133 
HIS CE1 HE1  sing N N 134 
HIS NE2 HE2  sing N N 135 
HIS OXT HXT  sing N N 136 
HOH O   H1   sing N N 137 
HOH O   H2   sing N N 138 
ILE N   CA   sing N N 139 
ILE N   H    sing N N 140 
ILE N   H2   sing N N 141 
ILE CA  C    sing N N 142 
ILE CA  CB   sing N N 143 
ILE CA  HA   sing N N 144 
ILE C   O    doub N N 145 
ILE C   OXT  sing N N 146 
ILE CB  CG1  sing N N 147 
ILE CB  CG2  sing N N 148 
ILE CB  HB   sing N N 149 
ILE CG1 CD1  sing N N 150 
ILE CG1 HG12 sing N N 151 
ILE CG1 HG13 sing N N 152 
ILE CG2 HG21 sing N N 153 
ILE CG2 HG22 sing N N 154 
ILE CG2 HG23 sing N N 155 
ILE CD1 HD11 sing N N 156 
ILE CD1 HD12 sing N N 157 
ILE CD1 HD13 sing N N 158 
ILE OXT HXT  sing N N 159 
LEU N   CA   sing N N 160 
LEU N   H    sing N N 161 
LEU N   H2   sing N N 162 
LEU CA  C    sing N N 163 
LEU CA  CB   sing N N 164 
LEU CA  HA   sing N N 165 
LEU C   O    doub N N 166 
LEU C   OXT  sing N N 167 
LEU CB  CG   sing N N 168 
LEU CB  HB2  sing N N 169 
LEU CB  HB3  sing N N 170 
LEU CG  CD1  sing N N 171 
LEU CG  CD2  sing N N 172 
LEU CG  HG   sing N N 173 
LEU CD1 HD11 sing N N 174 
LEU CD1 HD12 sing N N 175 
LEU CD1 HD13 sing N N 176 
LEU CD2 HD21 sing N N 177 
LEU CD2 HD22 sing N N 178 
LEU CD2 HD23 sing N N 179 
LEU OXT HXT  sing N N 180 
LYS N   CA   sing N N 181 
LYS N   H    sing N N 182 
LYS N   H2   sing N N 183 
LYS CA  C    sing N N 184 
LYS CA  CB   sing N N 185 
LYS CA  HA   sing N N 186 
LYS C   O    doub N N 187 
LYS C   OXT  sing N N 188 
LYS CB  CG   sing N N 189 
LYS CB  HB2  sing N N 190 
LYS CB  HB3  sing N N 191 
LYS CG  CD   sing N N 192 
LYS CG  HG2  sing N N 193 
LYS CG  HG3  sing N N 194 
LYS CD  CE   sing N N 195 
LYS CD  HD2  sing N N 196 
LYS CD  HD3  sing N N 197 
LYS CE  NZ   sing N N 198 
LYS CE  HE2  sing N N 199 
LYS CE  HE3  sing N N 200 
LYS NZ  HZ1  sing N N 201 
LYS NZ  HZ2  sing N N 202 
LYS NZ  HZ3  sing N N 203 
LYS OXT HXT  sing N N 204 
MET N   CA   sing N N 205 
MET N   H    sing N N 206 
MET N   H2   sing N N 207 
MET CA  C    sing N N 208 
MET CA  CB   sing N N 209 
MET CA  HA   sing N N 210 
MET C   O    doub N N 211 
MET C   OXT  sing N N 212 
MET CB  CG   sing N N 213 
MET CB  HB2  sing N N 214 
MET CB  HB3  sing N N 215 
MET CG  SD   sing N N 216 
MET CG  HG2  sing N N 217 
MET CG  HG3  sing N N 218 
MET SD  CE   sing N N 219 
MET CE  HE1  sing N N 220 
MET CE  HE2  sing N N 221 
MET CE  HE3  sing N N 222 
MET OXT HXT  sing N N 223 
PHE N   CA   sing N N 224 
PHE N   H    sing N N 225 
PHE N   H2   sing N N 226 
PHE CA  C    sing N N 227 
PHE CA  CB   sing N N 228 
PHE CA  HA   sing N N 229 
PHE C   O    doub N N 230 
PHE C   OXT  sing N N 231 
PHE CB  CG   sing N N 232 
PHE CB  HB2  sing N N 233 
PHE CB  HB3  sing N N 234 
PHE CG  CD1  doub Y N 235 
PHE CG  CD2  sing Y N 236 
PHE CD1 CE1  sing Y N 237 
PHE CD1 HD1  sing N N 238 
PHE CD2 CE2  doub Y N 239 
PHE CD2 HD2  sing N N 240 
PHE CE1 CZ   doub Y N 241 
PHE CE1 HE1  sing N N 242 
PHE CE2 CZ   sing Y N 243 
PHE CE2 HE2  sing N N 244 
PHE CZ  HZ   sing N N 245 
PHE OXT HXT  sing N N 246 
PRO N   CA   sing N N 247 
PRO N   CD   sing N N 248 
PRO N   H    sing N N 249 
PRO CA  C    sing N N 250 
PRO CA  CB   sing N N 251 
PRO CA  HA   sing N N 252 
PRO C   O    doub N N 253 
PRO C   OXT  sing N N 254 
PRO CB  CG   sing N N 255 
PRO CB  HB2  sing N N 256 
PRO CB  HB3  sing N N 257 
PRO CG  CD   sing N N 258 
PRO CG  HG2  sing N N 259 
PRO CG  HG3  sing N N 260 
PRO CD  HD2  sing N N 261 
PRO CD  HD3  sing N N 262 
PRO OXT HXT  sing N N 263 
QG7 C22 C21  doub Y N 264 
QG7 C22 N5   sing Y N 265 
QG7 C21 C20  sing Y N 266 
QG7 N5  C18  doub Y N 267 
QG7 C20 C19  doub Y N 268 
QG7 C18 C19  sing Y N 269 
QG7 C18 C17  sing N N 270 
QG7 C11 N3   sing N N 271 
QG7 C11 C12  sing N N 272 
QG7 N3  C17  sing N N 273 
QG7 N3  C23  sing N N 274 
QG7 O1  C1   doub N N 275 
QG7 C24 C23  sing N N 276 
QG7 C24 N6   sing N N 277 
QG7 C1  N6   sing N N 278 
QG7 C1  C2   sing N N 279 
QG7 N4  C12  doub Y N 280 
QG7 N4  C16  sing Y N 281 
QG7 C12 C13  sing Y N 282 
QG7 C2  C3   sing N N 283 
QG7 C16 C15  doub Y N 284 
QG7 C13 C14  doub Y N 285 
QG7 C3  C4   sing N N 286 
QG7 C15 C14  sing Y N 287 
QG7 C4  C5   sing N N 288 
QG7 C5  C6   sing N N 289 
QG7 C6  C10  sing N N 290 
QG7 C6  S1   sing N N 291 
QG7 N2  C10  sing N N 292 
QG7 N2  C9   sing N N 293 
QG7 C10 C8   sing N N 294 
QG7 S1  C7   sing N N 295 
QG7 C9  O2   doub N N 296 
QG7 C9  N1   sing N N 297 
QG7 C8  C7   sing N N 298 
QG7 C8  N1   sing N N 299 
QG7 C10 H1   sing N N 300 
QG7 C15 H2   sing N N 301 
QG7 C17 H3   sing N N 302 
QG7 C17 H4   sing N N 303 
QG7 C11 H5   sing N N 304 
QG7 C11 H6   sing N N 305 
QG7 C14 H7   sing N N 306 
QG7 N1  H8   sing N N 307 
QG7 N2  H9   sing N N 308 
QG7 C8  H10  sing N N 309 
QG7 C7  H11  sing N N 310 
QG7 C7  H12  sing N N 311 
QG7 C6  H13  sing N N 312 
QG7 C5  H14  sing N N 313 
QG7 C5  H15  sing N N 314 
QG7 C4  H16  sing N N 315 
QG7 C4  H17  sing N N 316 
QG7 C3  H18  sing N N 317 
QG7 C3  H19  sing N N 318 
QG7 C2  H20  sing N N 319 
QG7 C2  H21  sing N N 320 
QG7 C24 H22  sing N N 321 
QG7 C24 H23  sing N N 322 
QG7 N6  H24  sing N N 323 
QG7 C23 H25  sing N N 324 
QG7 C23 H26  sing N N 325 
QG7 C16 H28  sing N N 326 
QG7 C13 H29  sing N N 327 
QG7 C22 H30  sing N N 328 
QG7 C21 H31  sing N N 329 
QG7 C20 H32  sing N N 330 
QG7 C19 H33  sing N N 331 
SER N   CA   sing N N 332 
SER N   H    sing N N 333 
SER N   H2   sing N N 334 
SER CA  C    sing N N 335 
SER CA  CB   sing N N 336 
SER CA  HA   sing N N 337 
SER C   O    doub N N 338 
SER C   OXT  sing N N 339 
SER CB  OG   sing N N 340 
SER CB  HB2  sing N N 341 
SER CB  HB3  sing N N 342 
SER OG  HG   sing N N 343 
SER OXT HXT  sing N N 344 
THR N   CA   sing N N 345 
THR N   H    sing N N 346 
THR N   H2   sing N N 347 
THR CA  C    sing N N 348 
THR CA  CB   sing N N 349 
THR CA  HA   sing N N 350 
THR C   O    doub N N 351 
THR C   OXT  sing N N 352 
THR CB  OG1  sing N N 353 
THR CB  CG2  sing N N 354 
THR CB  HB   sing N N 355 
THR OG1 HG1  sing N N 356 
THR CG2 HG21 sing N N 357 
THR CG2 HG22 sing N N 358 
THR CG2 HG23 sing N N 359 
THR OXT HXT  sing N N 360 
TRP N   CA   sing N N 361 
TRP N   H    sing N N 362 
TRP N   H2   sing N N 363 
TRP CA  C    sing N N 364 
TRP CA  CB   sing N N 365 
TRP CA  HA   sing N N 366 
TRP C   O    doub N N 367 
TRP C   OXT  sing N N 368 
TRP CB  CG   sing N N 369 
TRP CB  HB2  sing N N 370 
TRP CB  HB3  sing N N 371 
TRP CG  CD1  doub Y N 372 
TRP CG  CD2  sing Y N 373 
TRP CD1 NE1  sing Y N 374 
TRP CD1 HD1  sing N N 375 
TRP CD2 CE2  doub Y N 376 
TRP CD2 CE3  sing Y N 377 
TRP NE1 CE2  sing Y N 378 
TRP NE1 HE1  sing N N 379 
TRP CE2 CZ2  sing Y N 380 
TRP CE3 CZ3  doub Y N 381 
TRP CE3 HE3  sing N N 382 
TRP CZ2 CH2  doub Y N 383 
TRP CZ2 HZ2  sing N N 384 
TRP CZ3 CH2  sing Y N 385 
TRP CZ3 HZ3  sing N N 386 
TRP CH2 HH2  sing N N 387 
TRP OXT HXT  sing N N 388 
TYR N   CA   sing N N 389 
TYR N   H    sing N N 390 
TYR N   H2   sing N N 391 
TYR CA  C    sing N N 392 
TYR CA  CB   sing N N 393 
TYR CA  HA   sing N N 394 
TYR C   O    doub N N 395 
TYR C   OXT  sing N N 396 
TYR CB  CG   sing N N 397 
TYR CB  HB2  sing N N 398 
TYR CB  HB3  sing N N 399 
TYR CG  CD1  doub Y N 400 
TYR CG  CD2  sing Y N 401 
TYR CD1 CE1  sing Y N 402 
TYR CD1 HD1  sing N N 403 
TYR CD2 CE2  doub Y N 404 
TYR CD2 HD2  sing N N 405 
TYR CE1 CZ   doub Y N 406 
TYR CE1 HE1  sing N N 407 
TYR CE2 CZ   sing Y N 408 
TYR CE2 HE2  sing N N 409 
TYR CZ  OH   sing N N 410 
TYR OH  HH   sing N N 411 
TYR OXT HXT  sing N N 412 
VAL N   CA   sing N N 413 
VAL N   H    sing N N 414 
VAL N   H2   sing N N 415 
VAL CA  C    sing N N 416 
VAL CA  CB   sing N N 417 
VAL CA  HA   sing N N 418 
VAL C   O    doub N N 419 
VAL C   OXT  sing N N 420 
VAL CB  CG1  sing N N 421 
VAL CB  CG2  sing N N 422 
VAL CB  HB   sing N N 423 
VAL CG1 HG11 sing N N 424 
VAL CG1 HG12 sing N N 425 
VAL CG1 HG13 sing N N 426 
VAL CG2 HG21 sing N N 427 
VAL CG2 HG22 sing N N 428 
VAL CG2 HG23 sing N N 429 
VAL OXT HXT  sing N N 430 
# 
_pdbx_audit_support.funding_organization   
'National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)' 
_pdbx_audit_support.country                'United States' 
_pdbx_audit_support.grant_number           GM120349 
_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   2QCB 
_pdbx_initial_refinement_model.details          ? 
# 
_space_group.name_H-M_alt     'I 41 2 2' 
_space_group.name_Hall        'I 4bw 2bw' 
_space_group.IT_number        98 
_space_group.crystal_system   tetragonal 
_space_group.id               1 
# 
_atom_sites.entry_id                    9CSV 
_atom_sites.Cartn_transf_matrix[1][1]   ? 
_atom_sites.Cartn_transf_matrix[1][2]   ? 
_atom_sites.Cartn_transf_matrix[1][3]   ? 
_atom_sites.Cartn_transf_matrix[2][1]   ? 
_atom_sites.Cartn_transf_matrix[2][2]   ? 
_atom_sites.Cartn_transf_matrix[2][3]   ? 
_atom_sites.Cartn_transf_matrix[3][1]   ? 
_atom_sites.Cartn_transf_matrix[3][2]   ? 
_atom_sites.Cartn_transf_matrix[3][3]   ? 
_atom_sites.Cartn_transf_vector[1]      ? 
_atom_sites.Cartn_transf_vector[2]      ? 
_atom_sites.Cartn_transf_vector[3]      ? 
_atom_sites.Cartn_transform_axes        ? 
_atom_sites.fract_transf_matrix[1][1]   0.017376 
_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]   0.017376 
_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]   0.005627 
_atom_sites.fract_transf_vector[1]      0.00000 
_atom_sites.fract_transf_vector[2]      0.00000 
_atom_sites.fract_transf_vector[3]      0.00000 
_atom_sites.solution_primary            ? 
_atom_sites.solution_secondary          ? 
_atom_sites.solution_hydrogens          ? 
_atom_sites.special_details             ? 
# 
loop_
_atom_type.symbol 
_atom_type.scat_dispersion_real 
_atom_type.scat_dispersion_imag 
_atom_type.scat_Cromer_Mann_a1 
_atom_type.scat_Cromer_Mann_a2 
_atom_type.scat_Cromer_Mann_a3 
_atom_type.scat_Cromer_Mann_a4 
_atom_type.scat_Cromer_Mann_b1 
_atom_type.scat_Cromer_Mann_b2 
_atom_type.scat_Cromer_Mann_b3 
_atom_type.scat_Cromer_Mann_b4 
_atom_type.scat_Cromer_Mann_c 
_atom_type.scat_source 
_atom_type.scat_dispersion_source 
C  ? ? 3.54356  2.42580 ? ? 25.62398 1.50364  ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
CU ? ? 23.42449 5.47274 ? ? 2.18335  24.96234 ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
H  ? ? 0.51345  0.48472 ? ? 24.73122 6.32584  ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
N  ? ? 4.01032  2.96436 ? ? 19.97189 1.75589  ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
O  ? ? 4.49882  3.47563 ? ? 15.80542 1.70748  ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
S  ? ? 9.55732  6.39887 ? ? 1.23737  29.19336 ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
# 
loop_
_atom_site.group_PDB 
_atom_site.id 
_atom_site.type_symbol 
_atom_site.label_atom_id 
_atom_site.label_alt_id 
_atom_site.label_comp_id 
_atom_site.label_asym_id 
_atom_site.label_entity_id 
_atom_site.label_seq_id 
_atom_site.pdbx_PDB_ins_code 
_atom_site.Cartn_x 
_atom_site.Cartn_y 
_atom_site.Cartn_z 
_atom_site.occupancy 
_atom_site.B_iso_or_equiv 
_atom_site.pdbx_formal_charge 
_atom_site.auth_seq_id 
_atom_site.auth_comp_id 
_atom_site.auth_asym_id 
_atom_site.auth_atom_id 
_atom_site.pdbx_PDB_model_num 
ATOM   1    N  N   . ARG A 1 12  ? 3.14000  21.92400 15.91900  1.000 72.80916 ? 12  ARG A N   1 
ATOM   2    C  CA  . ARG A 1 12  ? 4.43300  22.24000 15.31200  1.000 64.66843 ? 12  ARG A CA  1 
ATOM   3    C  C   . ARG A 1 12  ? 4.26600  23.21600 14.14900  1.000 60.99759 ? 12  ARG A C   1 
ATOM   4    O  O   . ARG A 1 12  ? 3.25300  23.92100 14.04400  1.000 63.59378 ? 12  ARG A O   1 
ATOM   5    C  CB  . ARG A 1 12  ? 5.11700  20.96800 14.81900  1.000 57.58581 ? 12  ARG A CB  1 
ATOM   6    C  CG  . ARG A 1 12  ? 4.43300  20.37200 13.60200  1.000 53.90622 ? 12  ARG A CG  1 
ATOM   7    C  CD  . ARG A 1 12  ? 4.87900  18.95100 13.37200  1.000 52.96212 ? 12  ARG A CD  1 
ATOM   8    N  NE  . ARG A 1 12  ? 3.82200  18.02500 13.76500  1.000 58.44000 ? 12  ARG A NE  1 
ATOM   9    C  CZ  . ARG A 1 12  ? 4.00800  16.73800 14.01800  1.000 62.99134 ? 12  ARG A CZ  1 
ATOM   10   N  NH1 . ARG A 1 12  ? 5.20500  16.17900 13.91900  1.000 61.80712 ? 12  ARG A NH1 1 
ATOM   11   N  NH2 . ARG A 1 12  ? 2.96500  15.99300 14.37900  1.000 72.96211 ? 12  ARG A NH2 1 
ATOM   12   N  N   . ASP A 1 13  ? 5.26100  23.24100 13.26500  1.000 53.94405 ? 13  ASP A N   1 
ATOM   13   C  CA  . ASP A 1 13  ? 5.22800  24.08200 12.07700  1.000 47.86630 ? 13  ASP A CA  1 
ATOM   14   C  C   . ASP A 1 13  ? 4.71900  23.33700 10.85300  1.000 42.06624 ? 13  ASP A C   1 
ATOM   15   O  O   . ASP A 1 13  ? 4.74700  23.88700 9.75100   1.000 41.33375 ? 13  ASP A O   1 
ATOM   16   C  CB  . ASP A 1 13  ? 6.61800  24.65700 11.80900  1.000 48.58096 ? 13  ASP A CB  1 
ATOM   17   C  CG  . ASP A 1 13  ? 7.16900  25.37600 13.01100  1.000 44.79773 ? 13  ASP A CG  1 
ATOM   18   O  OD1 . ASP A 1 13  ? 6.50300  26.32500 13.49200  1.000 42.88131 ? 13  ASP A OD1 1 
ATOM   19   O  OD2 . ASP A 1 13  ? 8.24500  24.97100 13.49300  1.000 38.67906 ? 13  ASP A OD2 1 
ATOM   20   N  N   . GLU A 1 14  ? 4.24200  22.10400 11.02700  1.000 42.61666 ? 14  GLU A N   1 
ATOM   21   C  CA  . GLU A 1 14  ? 3.68000  21.35900 9.90800   1.000 42.75057 ? 14  GLU A CA  1 
ATOM   22   C  C   . GLU A 1 14  ? 2.65600  22.19300 9.13800   1.000 41.76035 ? 14  GLU A C   1 
ATOM   23   O  O   . GLU A 1 14  ? 2.75000  22.34200 7.91300   1.000 40.12149 ? 14  GLU A O   1 
ATOM   24   C  CB  . GLU A 1 14  ? 3.04900  20.06200 10.42200  1.000 41.11206 ? 14  GLU A CB  1 
ATOM   25   C  CG  . GLU A 1 14  ? 2.48500  19.19000 9.32600   1.000 40.11199 ? 14  GLU A CG  1 
ATOM   26   C  CD  . GLU A 1 14  ? 1.99000  17.86400 9.85600   1.000 43.83213 ? 14  GLU A CD  1 
ATOM   27   O  OE1 . GLU A 1 14  ? 2.01900  17.66500 11.09200  1.000 42.36871 ? 14  GLU A OE1 1 
ATOM   28   O  OE2 . GLU A 1 14  ? 1.60000  17.01400 9.02300   1.000 50.43853 ? 14  GLU A OE2 1 
ATOM   29   N  N   . ALA A 1 15  ? 1.66800  22.74600 9.84200   1.000 43.33402 ? 15  ALA A N   1 
ATOM   30   C  CA  . ALA A 1 15  ? 0.65100  23.54700 9.17100   1.000 41.12681 ? 15  ALA A CA  1 
ATOM   31   C  C   . ALA A 1 15  ? 1.25900  24.79200 8.53600   1.000 39.87639 ? 15  ALA A C   1 
ATOM   32   O  O   . ALA A 1 15  ? 0.90000  25.17000 7.41100   1.000 39.78235 ? 15  ALA A O   1 
ATOM   33   C  CB  . ALA A 1 15  ? -0.44200 23.93400 10.16500  1.000 46.15867 ? 15  ALA A CB  1 
ATOM   34   N  N   . GLY A 1 16  ? 2.19800  25.43300 9.23400   1.000 33.76253 ? 16  GLY A N   1 
ATOM   35   C  CA  . GLY A 1 16  ? 2.76300  26.67400 8.72900   1.000 32.90302 ? 16  GLY A CA  1 
ATOM   36   C  C   . GLY A 1 16  ? 3.63900  26.48700 7.50700   1.000 32.67421 ? 16  GLY A C   1 
ATOM   37   O  O   . GLY A 1 16  ? 3.73100  27.38100 6.66500   1.000 27.76105 ? 16  GLY A O   1 
ATOM   38   N  N   . ILE A 1 17  ? 4.30300  25.33500 7.39200   1.000 30.27809 ? 17  ILE A N   1 
ATOM   39   C  CA  . ILE A 1 17  ? 5.17800  25.12100 6.24600   1.000 27.81563 ? 17  ILE A CA  1 
ATOM   40   C  C   . ILE A 1 17  ? 4.39000  24.63300 5.04200   1.000 28.37807 ? 17  ILE A C   1 
ATOM   41   O  O   . ILE A 1 17  ? 4.62800  25.06800 3.91500   1.000 26.51466 ? 17  ILE A O   1 
ATOM   42   C  CB  . ILE A 1 17  ? 6.31300  24.13900 6.61400   1.000 27.70715 ? 17  ILE A CB  1 
ATOM   43   C  CG1 . ILE A 1 17  ? 7.33200  24.82200 7.54500   1.000 27.87397 ? 17  ILE A CG1 1 
ATOM   44   C  CG2 . ILE A 1 17  ? 6.97000  23.59900 5.35600   1.000 24.12621 ? 17  ILE A CG2 1 
ATOM   45   C  CD1 . ILE A 1 17  ? 8.24800  23.80800 8.24200   1.000 29.93978 ? 17  ILE A CD1 1 
ATOM   46   N  N   . THR A 1 18  ? 3.44600  23.71500 5.25500   1.000 28.01836 ? 18  THR A N   1 
ATOM   47   C  CA  . THR A 1 18  ? 2.74100  23.09800 4.13700   1.000 32.63028 ? 18  THR A CA  1 
ATOM   48   C  C   . THR A 1 18  ? 2.02500  24.17100 3.33000   1.000 26.07458 ? 18  THR A C   1 
ATOM   49   O  O   . THR A 1 18  ? 1.43300  25.09600 3.89300   1.000 31.32996 ? 18  THR A O   1 
ATOM   50   C  CB  . THR A 1 18  ? 1.72200  22.07800 4.65300   1.000 25.26861 ? 18  THR A CB  1 
ATOM   51   O  OG1 . THR A 1 18  ? 2.40500  21.04300 5.35800   1.000 30.30017 ? 18  THR A OG1 1 
ATOM   52   C  CG2 . THR A 1 18  ? 0.92700  21.46800 3.50300   1.000 30.03860 ? 18  THR A CG2 1 
ATOM   53   N  N   . GLY A 1 19  ? 2.08200  24.04700 2.00700   1.000 24.49116 ? 19  GLY A N   1 
ATOM   54   C  CA  . GLY A 1 19  ? 1.45200  25.02600 1.15000   1.000 31.50380 ? 19  GLY A CA  1 
ATOM   55   C  C   . GLY A 1 19  ? 2.36100  25.45900 0.02100   1.000 33.67309 ? 19  GLY A C   1 
ATOM   56   O  O   . GLY A 1 19  ? 3.39800  24.83900 -0.26400  1.000 28.72841 ? 19  GLY A O   1 
ATOM   57   N  N   . THR A 1 20  ? 1.95000  26.53900 -0.63300  1.000 25.05629 ? 20  THR A N   1 
ATOM   58   C  CA  . THR A 1 20  ? 2.62200  27.09800 -1.80500  1.000 27.32238 ? 20  THR A CA  1 
ATOM   59   C  C   . THR A 1 20  ? 3.42400  28.33100 -1.39700  1.000 29.52711 ? 20  THR A C   1 
ATOM   60   O  O   . THR A 1 20  ? 2.92200  29.20400 -0.68200  1.000 27.10723 ? 20  THR A O   1 
ATOM   61   C  CB  . THR A 1 20  ? 1.59800  27.47000 -2.89200  1.000 33.37948 ? 20  THR A CB  1 
ATOM   62   O  OG1 . THR A 1 20  ? 0.96200  26.28500 -3.38100  1.000 34.25910 ? 20  THR A OG1 1 
ATOM   63   C  CG2 . THR A 1 20  ? 2.24900  28.17700 -4.06900  1.000 27.47045 ? 20  THR A CG2 1 
ATOM   64   N  N   . TRP A 1 21  ? 4.68200  28.38800 -1.84500  1.000 24.56151 ? 21  TRP A N   1 
ATOM   65   C  CA  . TRP A 1 21  ? 5.58200  29.47700 -1.52900  1.000 24.28998 ? 21  TRP A CA  1 
ATOM   66   C  C   . TRP A 1 21  ? 6.15600  30.01800 -2.82600  1.000 23.28749 ? 21  TRP A C   1 
ATOM   67   O  O   . TRP A 1 21  ? 6.23200  29.30300 -3.82900  1.000 20.93004 ? 21  TRP A O   1 
ATOM   68   C  CB  . TRP A 1 21  ? 6.72300  29.01200 -0.62300  1.000 25.46310 ? 21  TRP A CB  1 
ATOM   69   C  CG  . TRP A 1 21  ? 6.29400  28.51300 0.72200   1.000 23.53492 ? 21  TRP A CG  1 
ATOM   70   C  CD1 . TRP A 1 21  ? 5.83600  27.26800 1.03700   1.000 20.89580 ? 21  TRP A CD1 1 
ATOM   71   C  CD2 . TRP A 1 21  ? 6.31500  29.26400 1.93500   1.000 21.49117 ? 21  TRP A CD2 1 
ATOM   72   N  NE1 . TRP A 1 21  ? 5.58200  27.19300 2.39100   1.000 23.26141 ? 21  TRP A NE1 1 
ATOM   73   C  CE2 . TRP A 1 21  ? 5.85200  28.41700 2.95600   1.000 21.06720 ? 21  TRP A CE2 1 
ATOM   74   C  CE3 . TRP A 1 21  ? 6.68800  30.57300 2.25400   1.000 24.57499 ? 21  TRP A CE3 1 
ATOM   75   C  CZ2 . TRP A 1 21  ? 5.76100  28.83400 4.28200   1.000 22.63850 ? 21  TRP A CZ2 1 
ATOM   76   C  CZ3 . TRP A 1 21  ? 6.60000  30.99000 3.57600   1.000 23.45891 ? 21  TRP A CZ3 1 
ATOM   77   C  CH2 . TRP A 1 21  ? 6.12900  30.11600 4.57200   1.000 25.39686 ? 21  TRP A CH2 1 
ATOM   78   N  N   . TYR A 1 22  ? 6.57800  31.27900 -2.77500  1.000 23.39686 ? 22  TYR A N   1 
ATOM   79   C  CA  . TYR A 1 22  ? 7.12800  32.00700 -3.90900  1.000 19.15555 ? 22  TYR A CA  1 
ATOM   80   C  C   . TYR A 1 22  ? 8.44200  32.69000 -3.52700  1.000 19.48286 ? 22  TYR A C   1 
ATOM   81   O  O   . TYR A 1 22  ? 8.53300  33.32000 -2.46800  1.000 22.71482 ? 22  TYR A O   1 
ATOM   82   C  CB  . TYR A 1 22  ? 6.12000  33.06900 -4.38800  1.000 22.96914 ? 22  TYR A CB  1 
ATOM   83   C  CG  . TYR A 1 22  ? 4.72200  32.52500 -4.61200  1.000 21.63775 ? 22  TYR A CG  1 
ATOM   84   C  CD1 . TYR A 1 22  ? 4.37700  31.94100 -5.81800  1.000 28.60332 ? 22  TYR A CD1 1 
ATOM   85   C  CD2 . TYR A 1 22  ? 3.75200  32.61900 -3.62200  1.000 30.64841 ? 22  TYR A CD2 1 
ATOM   86   C  CE1 . TYR A 1 22  ? 3.08100  31.44300 -6.03400  1.000 26.79700 ? 22  TYR A CE1 1 
ATOM   87   C  CE2 . TYR A 1 22  ? 2.47300  32.11900 -3.82300  1.000 27.55046 ? 22  TYR A CE2 1 
ATOM   88   C  CZ  . TYR A 1 22  ? 2.14800  31.54700 -5.03000  1.000 35.12709 ? 22  TYR A CZ  1 
ATOM   89   O  OH  . TYR A 1 22  ? 0.87000  31.07600 -5.24600  1.000 27.42601 ? 22  TYR A OH  1 
ATOM   90   N  N   . ASN A 1 23  ? 9.45600  32.61900 -4.39900  1.000 23.54669 ? 23  ASN A N   1 
ATOM   91   C  CA  . ASN A 1 23  ? 10.66800 33.35600 -4.05400  1.000 22.22771 ? 23  ASN A CA  1 
ATOM   92   C  C   . ASN A 1 23  ? 10.79800 34.63500 -4.89500  1.000 25.28541 ? 23  ASN A C   1 
ATOM   93   O  O   . ASN A 1 23  ? 9.89100  35.01800 -5.64600  1.000 24.17339 ? 23  ASN A O   1 
ATOM   94   C  CB  . ASN A 1 23  ? 11.89900 32.43000 -4.13800  1.000 19.39770 ? 23  ASN A CB  1 
ATOM   95   C  CG  . ASN A 1 23  ? 12.33500 32.10300 -5.57200  1.000 23.59993 ? 23  ASN A CG  1 
ATOM   96   O  OD1 . ASN A 1 23  ? 11.85500 32.67600 -6.55800  1.000 21.89733 ? 23  ASN A OD1 1 
ATOM   97   N  ND2 . ASN A 1 23  ? 13.31200 31.19200 -5.67700  1.000 19.17562 ? 23  ASN A ND2 1 
ATOM   98   N  N   . GLN A 1 24  ? 11.93300 35.32100 -4.75200  1.000 22.88319 ? 24  GLN A N   1 
ATOM   99   C  CA  . GLN A 1 24  ? 12.11600 36.64600 -5.33900  1.000 22.57474 ? 24  GLN A CA  1 
ATOM   100  C  C   . GLN A 1 24  ? 12.32900 36.61100 -6.84400  1.000 28.78576 ? 24  GLN A C   1 
ATOM   101  O  O   . GLN A 1 24  ? 12.28700 37.66900 -7.48900  1.000 28.62592 ? 24  GLN A O   1 
ATOM   102  C  CB  . GLN A 1 24  ? 13.28900 37.34000 -4.64700  1.000 22.58213 ? 24  GLN A CB  1 
ATOM   103  C  CG  . GLN A 1 24  ? 14.65500 36.84000 -5.09600  1.000 23.53479 ? 24  GLN A CG  1 
ATOM   104  C  CD  . GLN A 1 24  ? 14.97100 35.43700 -4.57600  1.000 19.36169 ? 24  GLN A CD  1 
ATOM   105  O  OE1 . GLN A 1 24  ? 14.30700 34.93500 -3.66900  1.000 23.17142 ? 24  GLN A OE1 1 
ATOM   106  N  NE2 . GLN A 1 24  ? 16.00400 34.81000 -5.14700  1.000 25.83794 ? 24  GLN A NE2 1 
ATOM   107  N  N   . LEU A 1 25  ? 12.55600 35.44100 -7.41600  1.000 22.82848 ? 25  LEU A N   1 
ATOM   108  C  CA  . LEU A 1 25  ? 12.73200 35.28200 -8.85100  1.000 21.69939 ? 25  LEU A CA  1 
ATOM   109  C  C   . LEU A 1 25  ? 11.41400 34.97800 -9.55600  1.000 27.35501 ? 25  LEU A C   1 
ATOM   110  O  O   . LEU A 1 25  ? 11.37800 34.95500 -10.78900 1.000 31.47493 ? 25  LEU A O   1 
ATOM   111  C  CB  . LEU A 1 25  ? 13.72600 34.15200 -9.14500  1.000 24.05415 ? 25  LEU A CB  1 
ATOM   112  C  CG  . LEU A 1 25  ? 15.17700 34.31700 -8.68500  1.000 27.55884 ? 25  LEU A CG  1 
ATOM   113  C  CD1 . LEU A 1 25  ? 15.92600 32.98700 -8.69500  1.000 25.86724 ? 25  LEU A CD1 1 
ATOM   114  C  CD2 . LEU A 1 25  ? 15.88000 35.32000 -9.56700  1.000 26.93746 ? 25  LEU A CD2 1 
ATOM   115  N  N   . GLY A 1 26  ? 10.35500 34.73300 -8.80500  1.000 24.31189 ? 26  GLY A N   1 
ATOM   116  C  CA  . GLY A 1 26  ? 9.09500  34.27400 -9.36800  1.000 27.73212 ? 26  GLY A CA  1 
ATOM   117  C  C   . GLY A 1 26  ? 8.90000  32.77100 -9.35900  1.000 24.17215 ? 26  GLY A C   1 
ATOM   118  O  O   . GLY A 1 26  ? 7.88000  32.28200 -9.87900  1.000 29.21011 ? 26  GLY A O   1 
ATOM   119  N  N   . SER A 1 27  ? 9.82400  32.00600 -8.77300  1.000 23.06504 ? 27  SER A N   1 
ATOM   120  C  CA  . SER A 1 27  ? 9.67200  30.55200 -8.72700  1.000 24.74754 ? 27  SER A CA  1 
ATOM   121  C  C   . SER A 1 27  ? 8.59900  30.11600 -7.72500  1.000 23.06478 ? 27  SER A C   1 
ATOM   122  O  O   . SER A 1 27  ? 8.31000  30.80300 -6.75200  1.000 23.61887 ? 27  SER A O   1 
ATOM   123  C  CB  . SER A 1 27  ? 11.00900 29.89200 -8.36100  1.000 23.41375 ? 27  SER A CB  1 
ATOM   124  O  OG  . SER A 1 27  ? 12.00000 30.24800 -9.29100  1.000 21.70534 ? 27  SER A OG  1 
ATOM   125  N  N   . THR A 1 28  ? 8.04600  28.91800 -7.94700  1.000 25.54887 ? 28  THR A N   1 
ATOM   126  C  CA  . THR A 1 28  ? 6.95000  28.36300 -7.14500  1.000 25.85201 ? 28  THR A CA  1 
ATOM   127  C  C   . THR A 1 28  ? 7.35200  27.05900 -6.47000  1.000 23.87070 ? 28  THR A C   1 
ATOM   128  O  O   . THR A 1 28  ? 7.70900  26.07800 -7.14100  1.000 26.72805 ? 28  THR A O   1 
ATOM   129  C  CB  . THR A 1 28  ? 5.70500  28.10700 -7.99800  1.000 28.55947 ? 28  THR A CB  1 
ATOM   130  O  OG1 . THR A 1 28  ? 5.34300  29.29900 -8.67500  1.000 31.32595 ? 28  THR A OG1 1 
ATOM   131  C  CG2 . THR A 1 28  ? 4.53900  27.61600 -7.12000  1.000 28.74037 ? 28  THR A CG2 1 
ATOM   132  N  N   . PHE A 1 29  ? 7.19700  27.02200 -5.15000  1.000 23.07802 ? 29  PHE A N   1 
ATOM   133  C  CA  . PHE A 1 29  ? 7.65200  25.93800 -4.28800  1.000 26.85411 ? 29  PHE A CA  1 
ATOM   134  C  C   . PHE A 1 29  ? 6.40400  25.43200 -3.56700  1.000 27.06482 ? 29  PHE A C   1 
ATOM   135  O  O   . PHE A 1 29  ? 5.84200  26.13200 -2.71700  1.000 28.89907 ? 29  PHE A O   1 
ATOM   136  C  CB  . PHE A 1 29  ? 8.74200  26.47100 -3.34000  1.000 25.19662 ? 29  PHE A CB  1 
ATOM   137  C  CG  . PHE A 1 29  ? 9.10100  25.58100 -2.18700  1.000 25.20737 ? 29  PHE A CG  1 
ATOM   138  C  CD1 . PHE A 1 29  ? 9.34300  24.22100 -2.34600  1.000 23.58896 ? 29  PHE A CD1 1 
ATOM   139  C  CD2 . PHE A 1 29  ? 9.29300  26.15100 -0.92600  1.000 23.60530 ? 29  PHE A CD2 1 
ATOM   140  C  CE1 . PHE A 1 29  ? 9.71800  23.43200 -1.26000  1.000 22.90759 ? 29  PHE A CE1 1 
ATOM   141  C  CE2 . PHE A 1 29  ? 9.65700  25.38700 0.15100   1.000 22.16647 ? 29  PHE A CE2 1 
ATOM   142  C  CZ  . PHE A 1 29  ? 9.87100  24.00300 -0.00900  1.000 19.63566 ? 29  PHE A CZ  1 
ATOM   143  N  N   . ILE A 1 30  ? 5.94400  24.25600 -3.96200  1.000 26.03661 ? 30  ILE A N   1 
ATOM   144  C  CA  . ILE A 1 30  ? 4.74000  23.64600 -3.41100  1.000 29.39271 ? 30  ILE A CA  1 
ATOM   145  C  C   . ILE A 1 30  ? 5.17900  22.46800 -2.56300  1.000 25.45570 ? 30  ILE A C   1 
ATOM   146  O  O   . ILE A 1 30  ? 5.86900  21.56800 -3.05600  1.000 27.48735 ? 30  ILE A O   1 
ATOM   147  C  CB  . ILE A 1 30  ? 3.76900  23.21900 -4.52700  1.000 35.33569 ? 30  ILE A CB  1 
ATOM   148  C  CG1 . ILE A 1 30  ? 3.10600  24.45200 -5.14300  1.000 33.26406 ? 30  ILE A CG1 1 
ATOM   149  C  CG2 . ILE A 1 30  ? 2.70500  22.29400 -3.97500  1.000 35.57953 ? 30  ILE A CG2 1 
ATOM   150  C  CD1 . ILE A 1 30  ? 2.78900  24.31600 -6.63000  1.000 36.46881 ? 30  ILE A CD1 1 
ATOM   151  N  N   . VAL A 1 31  ? 4.85300  22.49700 -1.27300  1.000 25.48496 ? 31  VAL A N   1 
ATOM   152  C  CA  . VAL A 1 31  ? 5.41500  21.50500 -0.36200  1.000 27.66567 ? 31  VAL A CA  1 
ATOM   153  C  C   . VAL A 1 31  ? 4.37600  21.00000 0.62400   1.000 28.34305 ? 31  VAL A C   1 
ATOM   154  O  O   . VAL A 1 31  ? 3.43700  21.70900 0.98700   1.000 31.09831 ? 31  VAL A O   1 
ATOM   155  C  CB  . VAL A 1 31  ? 6.64000  22.07800 0.39200   1.000 23.81130 ? 31  VAL A CB  1 
ATOM   156  C  CG1 . VAL A 1 31  ? 6.24000  23.16300 1.35300   1.000 22.91253 ? 31  VAL A CG1 1 
ATOM   157  C  CG2 . VAL A 1 31  ? 7.42900  20.96300 1.09500   1.000 27.13740 ? 31  VAL A CG2 1 
ATOM   158  N  N   . THR A 1 32  ? 4.56700  19.76100 1.07900   1.000 31.17013 ? 32  THR A N   1 
ATOM   159  C  CA  . THR A 1 32  ? 3.79400  19.21200 2.18400   1.000 29.85990 ? 32  THR A CA  1 
ATOM   160  C  C   . THR A 1 32  ? 4.74900  18.76800 3.27300   1.000 27.95348 ? 32  THR A C   1 
ATOM   161  O  O   . THR A 1 32  ? 5.63500  17.94600 3.01800   1.000 27.74561 ? 32  THR A O   1 
ATOM   162  C  CB  . THR A 1 32  ? 2.93800  18.02100 1.74300   1.000 29.87153 ? 32  THR A CB  1 
ATOM   163  O  OG1 . THR A 1 32  ? 2.02800  18.42800 0.72000   1.000 33.17475 ? 32  THR A OG1 1 
ATOM   164  C  CG2 . THR A 1 32  ? 2.17100  17.45800 2.94800   1.000 35.56301 ? 32  THR A CG2 1 
ATOM   165  N  N   . ALA A 1 33  ? 4.56200  19.30500 4.47500   1.000 25.30214 ? 33  ALA A N   1 
ATOM   166  C  CA  . ALA A 1 33  ? 5.32700  18.88400 5.64100   1.000 28.28265 ? 33  ALA A CA  1 
ATOM   167  C  C   . ALA A 1 33  ? 4.61400  17.72200 6.31700   1.000 32.97522 ? 33  ALA A C   1 
ATOM   168  O  O   . ALA A 1 33  ? 3.43300  17.83200 6.67100   1.000 32.46402 ? 33  ALA A O   1 
ATOM   169  C  CB  . ALA A 1 33  ? 5.50400  20.03700 6.62400   1.000 28.01948 ? 33  ALA A CB  1 
ATOM   170  N  N   . GLY A 1 34  ? 5.33600  16.62400 6.50400   1.000 30.14721 ? 34  GLY A N   1 
ATOM   171  C  CA  . GLY A 1 34  ? 4.78500  15.46200 7.16300   1.000 34.41034 ? 34  GLY A CA  1 
ATOM   172  C  C   . GLY A 1 34  ? 5.00900  15.50100 8.66000   1.000 40.98216 ? 34  GLY A C   1 
ATOM   173  O  O   . GLY A 1 34  ? 5.88300  16.19700 9.16100   1.000 35.21191 ? 34  GLY A O   1 
ATOM   174  N  N   . ALA A 1 35  ? 4.18700  14.74000 9.39100   1.000 37.13269 ? 35  ALA A N   1 
ATOM   175  C  CA  . ALA A 1 35  ? 4.34000  14.69400 10.83800  1.000 35.79800 ? 35  ALA A CA  1 
ATOM   176  C  C   . ALA A 1 35  ? 5.70800  14.16200 11.24000  1.000 35.13776 ? 35  ALA A C   1 
ATOM   177  O  O   . ALA A 1 35  ? 6.20600  14.49300 12.32000  1.000 42.22417 ? 35  ALA A O   1 
ATOM   178  C  CB  . ALA A 1 35  ? 3.23200  13.83000 11.45600  1.000 36.55035 ? 35  ALA A CB  1 
ATOM   179  N  N   . ASP A 1 36  ? 6.31700  13.33700 10.38900  1.000 37.35886 ? 36  ASP A N   1 
ATOM   180  C  CA  . ASP A 1 36  ? 7.57900  12.65500 10.65000  1.000 40.32594 ? 36  ASP A CA  1 
ATOM   181  C  C   . ASP A 1 36  ? 8.80000  13.50400 10.31100  1.000 34.53600 ? 36  ASP A C   1 
ATOM   182  O  O   . ASP A 1 36  ? 9.93000  13.05600 10.53200  1.000 36.46862 ? 36  ASP A O   1 
ATOM   183  C  CB  . ASP A 1 36  ? 7.61600  11.35200 9.84100   1.000 44.55589 ? 36  ASP A CB  1 
ATOM   184  C  CG  . ASP A 1 36  ? 7.35400  11.59800 8.35600   1.000 43.35741 ? 36  ASP A CG  1 
ATOM   185  O  OD1 . ASP A 1 36  ? 6.95900  12.74500 8.02400   1.000 39.59336 ? 36  ASP A OD1 1 
ATOM   186  O  OD2 . ASP A 1 36  ? 7.52700  10.66300 7.53700   1.000 45.47800 ? 36  ASP A OD2 1 
ATOM   187  N  N   . GLY A 1 37  ? 8.60100  14.70600 9.79500   1.000 30.81334 ? 37  GLY A N   1 
ATOM   188  C  CA  . GLY A 1 37  ? 9.69600  15.54400 9.36000   1.000 30.89611 ? 37  GLY A CA  1 
ATOM   189  C  C   . GLY A 1 37  ? 9.96100  15.50500 7.87800   1.000 29.61026 ? 37  GLY A C   1 
ATOM   190  O  O   . GLY A 1 37  ? 10.98000 16.06500 7.43300   1.000 27.49332 ? 37  GLY A O   1 
ATOM   191  N  N   . ALA A 1 38  ? 9.09000  14.87300 7.09600   1.000 25.38393 ? 38  ALA A N   1 
ATOM   192  C  CA  . ALA A 1 38  ? 9.29600  14.76400 5.66200   1.000 28.71689 ? 38  ALA A CA  1 
ATOM   193  C  C   . ALA A 1 38  ? 8.82000  16.02200 4.95000   1.000 30.13879 ? 38  ALA A C   1 
ATOM   194  O  O   . ALA A 1 38  ? 7.82400  16.63800 5.34400   1.000 28.51847 ? 38  ALA A O   1 
ATOM   195  C  CB  . ALA A 1 38  ? 8.58000  13.53500 5.10300   1.000 33.83653 ? 38  ALA A CB  1 
ATOM   196  N  N   . LEU A 1 39  ? 9.54900  16.41900 3.90600   1.000 25.17212 ? 39  LEU A N   1 
ATOM   197  C  CA  . LEU A 1 39  ? 9.07100  17.41500 2.95300   1.000 21.03285 ? 39  LEU A CA  1 
ATOM   198  C  C   . LEU A 1 39  ? 8.93400  16.74500 1.60100   1.000 23.48303 ? 39  LEU A C   1 
ATOM   199  O  O   . LEU A 1 39  ? 9.85500  16.05500 1.16000   1.000 27.24279 ? 39  LEU A O   1 
ATOM   200  C  CB  . LEU A 1 39  ? 10.03700 18.61400 2.84100   1.000 23.51430 ? 39  LEU A CB  1 
ATOM   201  C  CG  . LEU A 1 39  ? 10.26900 19.44500 4.09500   1.000 23.22305 ? 39  LEU A CG  1 
ATOM   202  C  CD1 . LEU A 1 39  ? 11.30700 20.56700 3.80500   1.000 20.13077 ? 39  LEU A CD1 1 
ATOM   203  C  CD2 . LEU A 1 39  ? 8.97600  20.06600 4.57500   1.000 26.01906 ? 39  LEU A CD2 1 
ATOM   204  N  N   . THR A 1 40  ? 7.77400  16.91400 0.96100   1.000 24.02323 ? 40  THR A N   1 
ATOM   205  C  CA  . THR A 1 40  ? 7.54500  16.40400 -0.38100  1.000 24.70787 ? 40  THR A CA  1 
ATOM   206  C  C   . THR A 1 40  ? 6.77300  17.44600 -1.16400  1.000 25.68227 ? 40  THR A C   1 
ATOM   207  O  O   . THR A 1 40  ? 5.89300  18.11600 -0.61500  1.000 28.97768 ? 40  THR A O   1 
ATOM   208  C  CB  . THR A 1 40  ? 6.72100  15.10700 -0.37500  1.000 24.28047 ? 40  THR A CB  1 
ATOM   209  O  OG1 A THR A 1 40  ? 5.45200  15.39600 0.20100   0.514 22.20402 ? 40  THR A OG1 1 
ATOM   210  O  OG1 B THR A 1 40  ? 7.11300  14.29500 0.74000   0.486 25.34794 ? 40  THR A OG1 1 
ATOM   211  C  CG2 A THR A 1 40  ? 7.40500  14.01900 0.43600   0.514 24.61411 ? 40  THR A CG2 1 
ATOM   212  C  CG2 B THR A 1 40  ? 6.93400  14.33600 -1.64700  0.486 21.27491 ? 40  THR A CG2 1 
ATOM   213  N  N   . GLY A 1 41  ? 7.06400  17.54300 -2.46000  1.000 26.37781 ? 41  GLY A N   1 
ATOM   214  C  CA  . GLY A 1 41  ? 6.31600  18.48400 -3.27800  1.000 24.11284 ? 41  GLY A CA  1 
ATOM   215  C  C   . GLY A 1 41  ? 6.88400  18.63800 -4.67100  1.000 22.44113 ? 41  GLY A C   1 
ATOM   216  O  O   . GLY A 1 41  ? 7.48600  17.70600 -5.22400  1.000 23.69061 ? 41  GLY A O   1 
ATOM   217  N  N   . THR A 1 42  ? 6.67600  19.82400 -5.23600  1.000 23.80326 ? 42  THR A N   1 
ATOM   218  C  CA  . THR A 1 42  ? 7.13000  20.15100 -6.58200  1.000 22.44660 ? 42  THR A CA  1 
ATOM   219  C  C   . THR A 1 42  ? 7.77300  21.53000 -6.57400  1.000 21.40524 ? 42  THR A C   1 
ATOM   220  O  O   . THR A 1 42  ? 7.41100  22.38800 -5.77200  1.000 24.27207 ? 42  THR A O   1 
ATOM   221  C  CB  . THR A 1 42  ? 5.97700  20.14800 -7.59800  1.000 29.98164 ? 42  THR A CB  1 
ATOM   222  O  OG1 . THR A 1 42  ? 4.99500  21.10600 -7.20300  1.000 31.57238 ? 42  THR A OG1 1 
ATOM   223  C  CG2 . THR A 1 42  ? 5.34600  18.75900 -7.65500  1.000 31.73970 ? 42  THR A CG2 1 
ATOM   224  N  N   . TYR A 1 43  ? 8.70200  21.74200 -7.50300  1.000 25.15200 ? 43  TYR A N   1 
ATOM   225  C  CA  . TYR A 1 43  ? 9.35800  23.03600 -7.65800  1.000 20.44098 ? 43  TYR A CA  1 
ATOM   226  C  C   . TYR A 1 43  ? 9.26000  23.47700 -9.10700  1.000 22.28769 ? 43  TYR A C   1 
ATOM   227  O  O   . TYR A 1 43  ? 9.50700  22.68700 -10.02600 1.000 26.78800 ? 43  TYR A O   1 
ATOM   228  C  CB  . TYR A 1 43  ? 10.84000 22.98000 -7.25000  1.000 21.81185 ? 43  TYR A CB  1 
ATOM   229  C  CG  . TYR A 1 43  ? 11.40600 24.33700 -6.91500  1.000 19.45039 ? 43  TYR A CG  1 
ATOM   230  C  CD1 . TYR A 1 43  ? 11.92700 25.16300 -7.91200  1.000 17.72186 ? 43  TYR A CD1 1 
ATOM   231  C  CD2 . TYR A 1 43  ? 11.43200 24.77900 -5.59700  1.000 18.60381 ? 43  TYR A CD2 1 
ATOM   232  C  CE1 . TYR A 1 43  ? 12.46500 26.40800 -7.60200  1.000 18.25569 ? 43  TYR A CE1 1 
ATOM   233  C  CE2 . TYR A 1 43  ? 11.97000 26.03300 -5.28100  1.000 21.91146 ? 43  TYR A CE2 1 
ATOM   234  C  CZ  . TYR A 1 43  ? 12.47100 26.81800 -6.29000  1.000 17.85691 ? 43  TYR A CZ  1 
ATOM   235  O  OH  . TYR A 1 43  ? 12.99100 28.03400 -5.98800  1.000 19.91280 ? 43  TYR A OH  1 
ATOM   236  N  N   . GLU A 1 44  ? 8.95600  24.74800 -9.31500  1.000 23.13093 ? 44  GLU A N   1 
ATOM   237  C  CA  . GLU A 1 44  ? 8.96400  25.31700 -10.65400 1.000 23.82780 ? 44  GLU A CA  1 
ATOM   238  C  C   . GLU A 1 44  ? 9.81500  26.57900 -10.64100 1.000 21.74863 ? 44  GLU A C   1 
ATOM   239  O  O   . GLU A 1 44  ? 9.49100  27.53700 -9.93500  1.000 26.09619 ? 44  GLU A O   1 
ATOM   240  C  CB  . GLU A 1 44  ? 7.53200  25.60600 -11.12200 1.000 27.15525 ? 44  GLU A CB  1 
ATOM   241  C  CG  . GLU A 1 44  ? 7.41900  26.35900 -12.41100 1.000 29.85452 ? 44  GLU A CG  1 
ATOM   242  C  CD  . GLU A 1 44  ? 5.96600  26.51600 -12.86900 1.000 42.21298 ? 44  GLU A CD  1 
ATOM   243  O  OE1 . GLU A 1 44  ? 5.04400  26.37900 -12.03000 1.000 37.64922 ? 44  GLU A OE1 1 
ATOM   244  O  OE2 . GLU A 1 44  ? 5.76600  26.80100 -14.06500 1.000 42.11397 ? 44  GLU A OE2 1 
ATOM   245  N  N   . SER A 1 45  ? 10.90900 26.57100 -11.40400 1.000 26.09752 ? 45  SER A N   1 
ATOM   246  C  CA  . SER A 1 45  ? 11.84300 27.69200 -11.43300 1.000 23.70338 ? 45  SER A CA  1 
ATOM   247  C  C   . SER A 1 45  ? 11.50100 28.68000 -12.53400 1.000 26.10302 ? 45  SER A C   1 
ATOM   248  O  O   . SER A 1 45  ? 11.29400 28.29300 -13.68900 1.000 29.25069 ? 45  SER A O   1 
ATOM   249  C  CB  . SER A 1 45  ? 13.27100 27.21700 -11.65100 1.000 22.72105 ? 45  SER A CB  1 
ATOM   250  O  OG  . SER A 1 45  ? 14.11700 28.34700 -11.69400 1.000 23.55502 ? 45  SER A OG  1 
ATOM   251  N  N   . ALA A 1 46  ? 11.46600 29.95100 -12.17600 1.000 21.80094 ? 46  ALA A N   1 
ATOM   252  C  CA  . ALA A 1 46  ? 11.23200 30.98800 -13.16200 1.000 26.36313 ? 46  ALA A CA  1 
ATOM   253  C  C   . ALA A 1 46  ? 12.46700 31.28300 -14.00400 1.000 29.37708 ? 46  ALA A C   1 
ATOM   254  O  O   . ALA A 1 46  ? 12.36100 31.99600 -15.00500 1.000 31.96259 ? 46  ALA A O   1 
ATOM   255  C  CB  . ALA A 1 46  ? 10.73900 32.26000 -12.47400 1.000 29.86313 ? 46  ALA A CB  1 
ATOM   256  N  N   . VAL A 1 47  ? 13.63700 30.76900 -13.62800 1.000 25.73792 ? 47  VAL A N   1 
ATOM   257  C  CA  . VAL A 1 47  ? 14.87600 31.05800 -14.34200 1.000 24.07050 ? 47  VAL A CA  1 
ATOM   258  C  C   . VAL A 1 47  ? 15.62400 29.75500 -14.58700 1.000 26.89261 ? 47  VAL A C   1 
ATOM   259  O  O   . VAL A 1 47  ? 15.31800 28.71300 -14.00100 1.000 27.02499 ? 47  VAL A O   1 
ATOM   260  C  CB  . VAL A 1 47  ? 15.78700 32.05600 -13.58300 1.000 26.73773 ? 47  VAL A CB  1 
ATOM   261  C  CG1 . VAL A 1 47  ? 15.05100 33.36400 -13.29500 1.000 29.56605 ? 47  VAL A CG1 1 
ATOM   262  C  CG2 . VAL A 1 47  ? 16.30200 31.40900 -12.30000 1.000 27.03821 ? 47  VAL A CG2 1 
ATOM   263  N  N   . GLY A 1 48  ? 16.62900 29.83400 -15.46600 1.000 28.02151 ? 48  GLY A N   1 
ATOM   264  C  CA  . GLY A 1 48  ? 17.51000 28.71200 -15.72500 1.000 29.47635 ? 48  GLY A CA  1 
ATOM   265  C  C   . GLY A 1 48  ? 16.99700 27.73100 -16.76100 1.000 32.26109 ? 48  GLY A C   1 
ATOM   266  O  O   . GLY A 1 48  ? 15.98700 27.94400 -17.44400 1.000 33.52148 ? 48  GLY A O   1 
ATOM   267  N  N   A ASN A 1 49  ? 17.73600 26.62600 -16.87500 0.525 29.68185 ? 49  ASN A N   1 
ATOM   268  N  N   B ASN A 1 49  ? 17.73400 26.62700 -16.89200 0.475 29.70305 ? 49  ASN A N   1 
ATOM   269  C  CA  A ASN A 1 49  ? 17.38500 25.52500 -17.77200 0.525 33.33279 ? 49  ASN A CA  1 
ATOM   270  C  CA  B ASN A 1 49  ? 17.36000 25.56300 -17.82500 0.475 33.33354 ? 49  ASN A CA  1 
ATOM   271  C  C   A ASN A 1 49  ? 16.31000 24.67300 -17.09800 0.525 33.52566 ? 49  ASN A C   1 
ATOM   272  C  C   B ASN A 1 49  ? 16.31700 24.69300 -17.13100 0.475 33.53322 ? 49  ASN A C   1 
ATOM   273  O  O   A ASN A 1 49  ? 16.55200 23.57000 -16.60700 0.525 30.75793 ? 49  ASN A O   1 
ATOM   274  O  O   B ASN A 1 49  ? 16.59000 23.59200 -16.65200 0.475 30.74702 ? 49  ASN A O   1 
ATOM   275  C  CB  A ASN A 1 49  ? 18.62400 24.70500 -18.11400 0.525 35.82252 ? 49  ASN A CB  1 
ATOM   276  C  CB  B ASN A 1 49  ? 18.57700 24.75300 -18.26000 0.475 35.78521 ? 49  ASN A CB  1 
ATOM   277  C  CG  A ASN A 1 49  ? 18.34200 23.61200 -19.12100 0.525 39.57230 ? 49  ASN A CG  1 
ATOM   278  C  CG  B ASN A 1 49  ? 19.76800 25.62500 -18.61600 0.475 35.97470 ? 49  ASN A CG  1 
ATOM   279  O  OD1 A ASN A 1 49  ? 17.19200 23.35000 -19.45600 0.525 37.16935 ? 49  ASN A OD1 1 
ATOM   280  O  OD1 B ASN A 1 49  ? 20.87800 25.39900 -18.13600 0.475 41.54622 ? 49  ASN A OD1 1 
ATOM   281  N  ND2 A ASN A 1 49  ? 19.39200 22.94900 -19.59100 0.525 39.98485 ? 49  ASN A ND2 1 
ATOM   282  N  ND2 B ASN A 1 49  ? 19.54400 26.62400 -19.46100 0.475 38.22907 ? 49  ASN A ND2 1 
ATOM   283  N  N   . ALA A 1 50  ? 15.09300 25.21700 -17.07700 1.000 33.24874 ? 50  ALA A N   1 
ATOM   284  C  CA  . ALA A 1 50  ? 14.01600 24.60900 -16.31400 1.000 33.16459 ? 50  ALA A CA  1 
ATOM   285  C  C   . ALA A 1 50  ? 12.69400 24.88300 -17.00600 1.000 31.09017 ? 50  ALA A C   1 
ATOM   286  O  O   . ALA A 1 50  ? 12.49800 25.93600 -17.61800 1.000 35.68303 ? 50  ALA A O   1 
ATOM   287  C  CB  . ALA A 1 50  ? 13.95500 25.14500 -14.87700 1.000 28.75432 ? 50  ALA A CB  1 
ATOM   288  N  N   . GLU A 1 51  ? 11.77900 23.93500 -16.87700 1.000 35.70007 ? 51  GLU A N   1 
ATOM   289  C  CA  . GLU A 1 51  ? 10.47600 24.07000 -17.51400 1.000 36.37953 ? 51  GLU A CA  1 
ATOM   290  C  C   . GLU A 1 51  ? 9.47900  23.22500 -16.74300 1.000 31.75074 ? 51  GLU A C   1 
ATOM   291  O  O   . GLU A 1 51  ? 9.75700  22.06200 -16.44400 1.000 33.73668 ? 51  GLU A O   1 
ATOM   292  C  CB  . GLU A 1 51  ? 10.56900 23.63900 -18.97800 1.000 40.39879 ? 51  GLU A CB  1 
ATOM   293  C  CG  . GLU A 1 51  ? 9.30200  23.14700 -19.60500 1.000 49.08994 ? 51  GLU A CG  1 
ATOM   294  C  CD  . GLU A 1 51  ? 9.46500  22.99600 -21.10700 1.000 51.68472 ? 51  GLU A CD  1 
ATOM   295  O  OE1 . GLU A 1 51  ? 10.60600 22.74000 -21.55800 1.000 55.37578 ? 51  GLU A OE1 1 
ATOM   296  O  OE2 . GLU A 1 51  ? 8.46400  23.17300 -21.83200 1.000 58.51867 ? 51  GLU A OE2 1 
ATOM   297  N  N   . SER A 1 52  ? 8.34300  23.82100 -16.41100 1.000 32.38414 ? 52  SER A N   1 
ATOM   298  C  CA  . SER A 1 52  ? 7.23100  23.17300 -15.69900 1.000 29.27560 ? 52  SER A CA  1 
ATOM   299  C  C   . SER A 1 52  ? 7.72500  22.72800 -14.31800 1.000 31.12801 ? 52  SER A C   1 
ATOM   300  O  O   . SER A 1 52  ? 8.65900  23.32200 -13.76400 1.000 31.77375 ? 52  SER A O   1 
ATOM   301  C  CB  . SER A 1 52  ? 6.64700  22.07200 -16.56400 1.000 43.95140 ? 52  SER A CB  1 
ATOM   302  O  OG  . SER A 1 52  ? 5.59000  21.41500 -15.89200 1.000 45.43528 ? 52  SER A OG  1 
ATOM   303  N  N   . ARG A 1 53  ? 7.11300  21.69300 -13.74400 1.000 31.62830 ? 53  ARG A N   1 
ATOM   304  C  CA  . ARG A 1 53  ? 7.34400  21.30700 -12.36200 1.000 30.58973 ? 53  ARG A CA  1 
ATOM   305  C  C   . ARG A 1 53  ? 8.35200  20.16900 -12.26600 1.000 31.75857 ? 53  ARG A C   1 
ATOM   306  O  O   . ARG A 1 53  ? 8.45800  19.32700 -13.16600 1.000 28.30645 ? 53  ARG A O   1 
ATOM   307  C  CB  . ARG A 1 53  ? 6.03200  20.88800 -11.67800 1.000 34.62108 ? 53  ARG A CB  1 
ATOM   308  C  CG  . ARG A 1 53  ? 5.04500  22.03600 -11.44300 1.000 30.21563 ? 53  ARG A CG  1 
ATOM   309  C  CD  . ARG A 1 53  ? 3.61400  21.54500 -11.20400 1.000 38.94371 ? 53  ARG A CD  1 
ATOM   310  N  NE  . ARG A 1 53  ? 3.25400  20.48600 -12.13700 1.000 56.24668 ? 53  ARG A NE  1 
ATOM   311  C  CZ  . ARG A 1 53  ? 2.70500  20.68600 -13.32700 1.000 61.19011 ? 53  ARG A CZ  1 
ATOM   312  N  NH1 . ARG A 1 53  ? 2.44400  21.90600 -13.76900 1.000 64.99087 ? 53  ARG A NH1 1 
ATOM   313  N  NH2 . ARG A 1 53  ? 2.41900  19.63700 -14.09600 1.000 68.75519 ? 53  ARG A NH2 1 
ATOM   314  N  N   . TYR A 1 54  ? 9.09900  20.15500 -11.15200 1.000 29.09683 ? 54  TYR A N   1 
ATOM   315  C  CA  . TYR A 1 54  ? 10.09800 19.13700 -10.85500 1.000 22.15941 ? 54  TYR A CA  1 
ATOM   316  C  C   . TYR A 1 54  ? 9.84800  18.57100 -9.46700  1.000 21.29697 ? 54  TYR A C   1 
ATOM   317  O  O   . TYR A 1 54  ? 9.41900  19.29000 -8.55600  1.000 25.26797 ? 54  TYR A O   1 
ATOM   318  C  CB  . TYR A 1 54  ? 11.54900 19.70500 -10.91100 1.000 21.04188 ? 54  TYR A CB  1 
ATOM   319  C  CG  . TYR A 1 54  ? 11.97300 20.19700 -12.27700 1.000 20.86668 ? 54  TYR A CG  1 
ATOM   320  C  CD1 . TYR A 1 54  ? 11.52900 21.42100 -12.75700 1.000 21.14109 ? 54  TYR A CD1 1 
ATOM   321  C  CD2 . TYR A 1 54  ? 12.81300 19.42900 -13.08700 1.000 23.14538 ? 54  TYR A CD2 1 
ATOM   322  C  CE1 . TYR A 1 54  ? 11.92500 21.87600 -13.99400 1.000 22.18818 ? 54  TYR A CE1 1 
ATOM   323  C  CE2 . TYR A 1 54  ? 13.21700 19.87900 -14.32100 1.000 21.70782 ? 54  TYR A CE2 1 
ATOM   324  C  CZ  . TYR A 1 54  ? 12.74300 21.09600 -14.78200 1.000 28.72419 ? 54  TYR A CZ  1 
ATOM   325  O  OH  . TYR A 1 54  ? 13.11300 21.56800 -16.01800 1.000 30.92598 ? 54  TYR A OH  1 
ATOM   326  N  N   . VAL A 1 55  ? 10.11500 17.27900 -9.31100  1.000 22.79008 ? 55  VAL A N   1 
ATOM   327  C  CA  . VAL A 1 55  ? 9.98400  16.63600 -8.01000  1.000 25.20087 ? 55  VAL A CA  1 
ATOM   328  C  C   . VAL A 1 55  ? 10.97200 17.23600 -7.02100  1.000 24.70294 ? 55  VAL A C   1 
ATOM   329  O  O   . VAL A 1 55  ? 12.12800 17.51300 -7.36400  1.000 26.58772 ? 55  VAL A O   1 
ATOM   330  C  CB  . VAL A 1 55  ? 10.21000 15.12200 -8.14500  1.000 30.83420 ? 55  VAL A CB  1 
ATOM   331  C  CG1 . VAL A 1 55  ? 10.12800 14.43600 -6.78100  1.000 32.54270 ? 55  VAL A CG1 1 
ATOM   332  C  CG2 . VAL A 1 55  ? 9.17600  14.52700 -9.08700  1.000 31.62524 ? 55  VAL A CG2 1 
ATOM   333  N  N   . LEU A 1 56  ? 10.53000 17.40300 -5.77300  1.000 25.66114 ? 56  LEU A N   1 
ATOM   334  C  CA  . LEU A 1 56  ? 11.41200 17.74700 -4.66100  1.000 28.08613 ? 56  LEU A CA  1 
ATOM   335  C  C   . LEU A 1 56  ? 11.12100 16.88000 -3.45100  1.000 31.47109 ? 56  LEU A C   1 
ATOM   336  O  O   . LEU A 1 56  ? 9.99900  16.39500 -3.25900  1.000 26.11712 ? 56  LEU A O   1 
ATOM   337  C  CB  . LEU A 1 56  ? 11.27900 19.20800 -4.23800  1.000 26.09308 ? 56  LEU A CB  1 
ATOM   338  C  CG  . LEU A 1 56  ? 10.00900 19.60400 -3.47000  1.000 23.43729 ? 56  LEU A CG  1 
ATOM   339  C  CD1 . LEU A 1 56  ? 10.17600 19.42900 -1.95200  1.000 25.88323 ? 56  LEU A CD1 1 
ATOM   340  C  CD2 . LEU A 1 56  ? 9.67300  21.03000 -3.77300  1.000 30.48558 ? 56  LEU A CD2 1 
ATOM   341  N  N   . THR A 1 57  ? 12.16000 16.68200 -2.63900  1.000 23.09314 ? 57  THR A N   1 
ATOM   342  C  CA  A THR A 1 57  ? 12.03900 16.00600 -1.35900  0.673 23.59602 ? 57  THR A CA  1 
ATOM   343  C  CA  B THR A 1 57  ? 12.05600 15.98600 -1.36600  0.327 23.63785 ? 57  THR A CA  1 
ATOM   344  C  C   . THR A 1 57  ? 13.02700 16.64000 -0.39600  1.000 24.96659 ? 57  THR A C   1 
ATOM   345  O  O   . THR A 1 57  ? 14.07100 17.15900 -0.81100  1.000 22.16329 ? 57  THR A O   1 
ATOM   346  C  CB  A THR A 1 57  ? 12.27400 14.49200 -1.46800  0.673 25.21715 ? 57  THR A CB  1 
ATOM   347  C  CB  B THR A 1 57  ? 12.35400 14.48200 -1.49500  0.327 25.21849 ? 57  THR A CB  1 
ATOM   348  O  OG1 A THR A 1 57  ? 12.10900 13.89100 -0.17600  0.673 25.47956 ? 57  THR A OG1 1 
ATOM   349  O  OG1 B THR A 1 57  ? 13.70800 14.27800 -1.93300  0.327 24.28270 ? 57  THR A OG1 1 
ATOM   350  C  CG2 A THR A 1 57  ? 13.68500 14.18400 -1.99600  0.673 24.20194 ? 57  THR A CG2 1 
ATOM   351  C  CG2 B THR A 1 57  ? 11.41200 13.83700 -2.48800  0.327 27.86621 ? 57  THR A CG2 1 
ATOM   352  N  N   . GLY A 1 58  ? 12.67700 16.60700 0.88300   1.000 24.62757 ? 58  GLY A N   1 
ATOM   353  C  CA  . GLY A 1 58  ? 13.53100 17.18900 1.90100   1.000 21.04215 ? 58  GLY A CA  1 
ATOM   354  C  C   . GLY A 1 58  ? 13.08900 16.80700 3.29000   1.000 26.23083 ? 58  GLY A C   1 
ATOM   355  O  O   . GLY A 1 58  ? 12.30000 15.87100 3.47200   1.000 23.70464 ? 58  GLY A O   1 
ATOM   356  N  N   . ARG A 1 59  ? 13.60100 17.55300 4.27000   1.000 20.75048 ? 59  ARG A N   1 
ATOM   357  C  CA  . ARG A 1 59  ? 13.41400 17.25700 5.68400   1.000 22.73761 ? 59  ARG A CA  1 
ATOM   358  C  C   . ARG A 1 59  ? 13.32700 18.55800 6.48100   1.000 25.61885 ? 59  ARG A C   1 
ATOM   359  O  O   . ARG A 1 59  ? 13.91200 19.58300 6.10200   1.000 25.08250 ? 59  ARG A O   1 
ATOM   360  C  CB  . ARG A 1 59  ? 14.55500 16.39700 6.24500   1.000 22.35111 ? 59  ARG A CB  1 
ATOM   361  C  CG  . ARG A 1 59  ? 14.79000 15.06900 5.54700   1.000 22.70484 ? 59  ARG A CG  1 
ATOM   362  C  CD  . ARG A 1 59  ? 13.73600 14.01000 5.89700   1.000 23.80738 ? 59  ARG A CD  1 
ATOM   363  N  NE  . ARG A 1 59  ? 13.69200 13.71800 7.32600   1.000 28.41092 ? 59  ARG A NE  1 
ATOM   364  C  CZ  . ARG A 1 59  ? 12.69600 13.05500 7.90300   1.000 31.49794 ? 59  ARG A CZ  1 
ATOM   365  N  NH1 . ARG A 1 59  ? 11.70000 12.56300 7.18700   1.000 27.28032 ? 59  ARG A NH1 1 
ATOM   366  N  NH2 . ARG A 1 59  ? 12.70000 12.88800 9.22800   1.000 29.34409 ? 59  ARG A NH2 1 
ATOM   367  N  N   . TYR A 1 60  ? 12.61300 18.51000 7.60900   1.000 23.12776 ? 60  TYR A N   1 
ATOM   368  C  CA  . TYR A 1 60  ? 12.54200 19.66700 8.49100   1.000 22.05360 ? 60  TYR A CA  1 
ATOM   369  C  C   . TYR A 1 60  ? 12.52500 19.20900 9.94700   1.000 29.00490 ? 60  TYR A C   1 
ATOM   370  O  O   . TYR A 1 60  ? 12.15700 18.07800 10.25600  1.000 25.87031 ? 60  TYR A O   1 
ATOM   371  C  CB  . TYR A 1 60  ? 11.33000 20.56000 8.16100   1.000 22.12188 ? 60  TYR A CB  1 
ATOM   372  C  CG  . TYR A 1 60  ? 10.00200 20.01800 8.66900   1.000 27.15203 ? 60  TYR A CG  1 
ATOM   373  C  CD1 . TYR A 1 60  ? 9.38900  18.93600 8.04200   1.000 23.54403 ? 60  TYR A CD1 1 
ATOM   374  C  CD2 . TYR A 1 60  ? 9.39000  20.57500 9.77700   1.000 24.94819 ? 60  TYR A CD2 1 
ATOM   375  C  CE1 . TYR A 1 60  ? 8.16100  18.41300 8.52500   1.000 26.90374 ? 60  TYR A CE1 1 
ATOM   376  C  CE2 . TYR A 1 60  ? 8.17900  20.07900 10.25800  1.000 33.34194 ? 60  TYR A CE2 1 
ATOM   377  C  CZ  . TYR A 1 60  ? 7.57500  19.00300 9.63100   1.000 33.00154 ? 60  TYR A CZ  1 
ATOM   378  O  OH  . TYR A 1 60  ? 6.36500  18.51700 10.12000  1.000 33.95112 ? 60  TYR A OH  1 
ATOM   379  N  N   . ASP A 1 61  ? 12.93400 20.11700 10.83900  1.000 28.55024 ? 61  ASP A N   1 
ATOM   380  C  CA  . ASP A 1 61  ? 12.87500 19.89800 12.28500  1.000 30.27050 ? 61  ASP A CA  1 
ATOM   381  C  C   . ASP A 1 61  ? 11.41700 19.92100 12.73500  1.000 31.20156 ? 61  ASP A C   1 
ATOM   382  O  O   . ASP A 1 61  ? 10.78200 20.98300 12.71500  1.000 31.39288 ? 61  ASP A O   1 
ATOM   383  C  CB  . ASP A 1 61  ? 13.67900 20.97900 13.00800  1.000 26.78163 ? 61  ASP A CB  1 
ATOM   384  C  CG  . ASP A 1 61  ? 13.72700 20.76700 14.50600  1.000 30.86175 ? 61  ASP A CG  1 
ATOM   385  O  OD1 . ASP A 1 61  ? 13.12400 19.76800 14.97400  1.000 36.16238 ? 61  ASP A OD1 1 
ATOM   386  O  OD2 . ASP A 1 61  ? 14.35300 21.58700 15.21600  1.000 28.51238 ? 61  ASP A OD2 1 
ATOM   387  N  N   . SER A 1 62  ? 10.88600 18.76300 13.13600  1.000 32.90605 ? 62  SER A N   1 
ATOM   388  C  CA  . SER A 1 62  ? 9.47000  18.65900 13.49200  1.000 33.62765 ? 62  SER A CA  1 
ATOM   389  C  C   . SER A 1 62  ? 9.19100  19.02900 14.94700  1.000 37.66278 ? 62  SER A C   1 
ATOM   390  O  O   . SER A 1 62  ? 8.02000  19.18100 15.32300  1.000 37.56872 ? 62  SER A O   1 
ATOM   391  C  CB  . SER A 1 62  ? 8.94600  17.24100 13.19700  1.000 29.07889 ? 62  SER A CB  1 
ATOM   392  O  OG  . SER A 1 62  ? 9.70800  16.23900 13.85100  1.000 34.29854 ? 62  SER A OG  1 
ATOM   393  N  N   . ALA A 1 63  ? 10.22600 19.18000 15.76500  1.000 36.17232 ? 63  ALA A N   1 
ATOM   394  C  CA  . ALA A 1 63  ? 10.09900 19.63900 17.14600  1.000 38.06594 ? 63  ALA A CA  1 
ATOM   395  C  C   . ALA A 1 63  ? 11.10800 20.75500 17.36900  1.000 36.84572 ? 63  ALA A C   1 
ATOM   396  O  O   . ALA A 1 63  ? 12.10500 20.59000 18.08900  1.000 35.23314 ? 63  ALA A O   1 
ATOM   397  C  CB  . ALA A 1 63  ? 10.31700 18.49300 18.13600  1.000 39.14005 ? 63  ALA A CB  1 
ATOM   398  N  N   . PRO A 1 64  ? 10.88200 21.91300 16.75900  1.000 37.11524 ? 64  PRO A N   1 
ATOM   399  C  CA  . PRO A 1 64  ? 11.83500 23.01700 16.90100  1.000 37.92270 ? 64  PRO A CA  1 
ATOM   400  C  C   . PRO A 1 64  ? 11.80500 23.58500 18.31000  1.000 42.21633 ? 64  PRO A C   1 
ATOM   401  O  O   . PRO A 1 64  ? 10.94200 23.26300 19.13300  1.000 43.98793 ? 64  PRO A O   1 
ATOM   402  C  CB  . PRO A 1 64  ? 11.35100 24.04400 15.87300  1.000 33.00044 ? 64  PRO A CB  1 
ATOM   403  C  CG  . PRO A 1 64  ? 9.91000  23.74000 15.69600  1.000 34.07105 ? 64  PRO A CG  1 
ATOM   404  C  CD  . PRO A 1 64  ? 9.74800  22.26300 15.88300  1.000 33.72248 ? 64  PRO A CD  1 
ATOM   405  N  N   . ALA A 1 65  ? 12.78100 24.44200 18.58200  1.000 39.45515 ? 65  ALA A N   1 
ATOM   406  C  CA  . ALA A 1 65  ? 12.80300 25.17500 19.83100  1.000 38.65696 ? 65  ALA A CA  1 
ATOM   407  C  C   . ALA A 1 65  ? 11.59100 26.10200 19.91400  1.000 42.02786 ? 65  ALA A C   1 
ATOM   408  O  O   . ALA A 1 65  ? 10.97900 26.46800 18.90400  1.000 44.84790 ? 65  ALA A O   1 
ATOM   409  C  CB  . ALA A 1 65  ? 14.09600 25.97400 19.95300  1.000 36.51029 ? 65  ALA A CB  1 
ATOM   410  N  N   . THR A 1 66  ? 11.24400 26.47800 21.14400  1.000 43.45179 ? 66  THR A N   1 
ATOM   411  C  CA  . THR A 1 66  ? 10.12000 27.36900 21.41100  1.000 50.36284 ? 66  THR A CA  1 
ATOM   412  C  C   . THR A 1 66  ? 10.59400 28.68900 22.00600  1.000 53.29920 ? 66  THR A C   1 
ATOM   413  O  O   . THR A 1 66  ? 9.89300  29.30200 22.81500  1.000 59.56803 ? 66  THR A O   1 
ATOM   414  C  CB  . THR A 1 66  ? 9.10500  26.70300 22.34000  1.000 49.46065 ? 66  THR A CB  1 
ATOM   415  O  OG1 . THR A 1 66  ? 9.70400  26.49000 23.62200  1.000 51.19805 ? 66  THR A OG1 1 
ATOM   416  C  CG2 . THR A 1 66  ? 8.65800  25.36800 21.77500  1.000 44.58501 ? 66  THR A CG2 1 
ATOM   417  N  N   . ASP A 1 67  ? 11.79200 29.12600 21.61800  1.000 53.04845 ? 67  ASP A N   1 
ATOM   418  C  CA  . ASP A 1 67  ? 12.40900 30.33700 22.13600  1.000 44.83823 ? 67  ASP A CA  1 
ATOM   419  C  C   . ASP A 1 67  ? 12.37400 31.48200 21.13300  1.000 44.81010 ? 67  ASP A C   1 
ATOM   420  O  O   . ASP A 1 67  ? 13.07300 32.48500 21.32400  1.000 48.85893 ? 67  ASP A O   1 
ATOM   421  C  CB  . ASP A 1 67  ? 13.84900 30.04500 22.54700  1.000 52.10450 ? 67  ASP A CB  1 
ATOM   422  C  CG  . ASP A 1 67  ? 14.70100 29.60600 21.37900  1.000 48.66797 ? 67  ASP A CG  1 
ATOM   423  O  OD1 . ASP A 1 67  ? 14.14500 29.46800 20.26900  1.000 43.33626 ? 67  ASP A OD1 1 
ATOM   424  O  OD2 . ASP A 1 67  ? 15.92200 29.41400 21.56700  1.000 50.90390 ? 67  ASP A OD2 1 
ATOM   425  N  N   . GLY A 1 68  ? 11.58600 31.35400 20.06600  1.000 41.31021 ? 68  GLY A N   1 
ATOM   426  C  CA  . GLY A 1 68  ? 11.58700 32.31200 18.98600  1.000 42.11028 ? 68  GLY A CA  1 
ATOM   427  C  C   . GLY A 1 68  ? 12.56700 32.02100 17.86600  1.000 40.50726 ? 68  GLY A C   1 
ATOM   428  O  O   . GLY A 1 68  ? 12.68000 32.83900 16.94300  1.000 41.17008 ? 68  GLY A O   1 
ATOM   429  N  N   . SER A 1 69  ? 13.28900 30.89900 17.92100  1.000 41.20407 ? 69  SER A N   1 
ATOM   430  C  CA  . SER A 1 69  ? 14.16500 30.51200 16.82300  1.000 31.67201 ? 69  SER A CA  1 
ATOM   431  C  C   . SER A 1 69  ? 13.35700 29.96500 15.66100  1.000 35.46404 ? 69  SER A C   1 
ATOM   432  O  O   . SER A 1 69  ? 12.24600 29.45100 15.83400  1.000 38.21730 ? 69  SER A O   1 
ATOM   433  C  CB  . SER A 1 69  ? 15.19400 29.48100 17.27800  1.000 30.16197 ? 69  SER A CB  1 
ATOM   434  O  OG  . SER A 1 69  ? 15.97400 29.99300 18.34200  1.000 41.84252 ? 69  SER A OG  1 
ATOM   435  N  N   . GLY A 1 70  ? 13.91500 30.09200 14.46200  1.000 27.04936 ? 70  GLY A N   1 
ATOM   436  C  CA  . GLY A 1 70  ? 13.28200 29.54100 13.28600  1.000 28.37662 ? 70  GLY A CA  1 
ATOM   437  C  C   . GLY A 1 70  ? 13.39200 28.02200 13.26000  1.000 21.15451 ? 70  GLY A C   1 
ATOM   438  O  O   . GLY A 1 70  ? 14.05500 27.39000 14.08500  1.000 30.42942 ? 70  GLY A O   1 
ATOM   439  N  N   . THR A 1 71  ? 12.74800 27.43600 12.26100  1.000 23.94577 ? 71  THR A N   1 
ATOM   440  C  CA  . THR A 1 71  ? 12.68500 25.97900 12.10700  1.000 26.72688 ? 71  THR A CA  1 
ATOM   441  C  C   . THR A 1 71  ? 13.59200 25.53500 10.95100  1.000 24.75280 ? 71  THR A C   1 
ATOM   442  O  O   . THR A 1 71  ? 13.29700 25.82100 9.78400   1.000 23.88349 ? 71  THR A O   1 
ATOM   443  C  CB  . THR A 1 71  ? 11.24000 25.54700 11.86000  1.000 32.57799 ? 71  THR A CB  1 
ATOM   444  O  OG1 . THR A 1 71  ? 10.44200 25.90100 13.00100  1.000 32.20441 ? 71  THR A OG1 1 
ATOM   445  C  CG2 . THR A 1 71  ? 11.13400 24.05300 11.58000  1.000 28.52251 ? 71  THR A CG2 1 
ATOM   446  N  N   . ALA A 1 72  ? 14.68200 24.82100 11.27200  1.000 23.67583 ? 72  ALA A N   1 
ATOM   447  C  CA  . ALA A 1 72  ? 15.62000 24.39600 10.23600  1.000 20.71531 ? 72  ALA A CA  1 
ATOM   448  C  C   . ALA A 1 72  ? 14.98900 23.40300 9.26700   1.000 23.87204 ? 72  ALA A C   1 
ATOM   449  O  O   . ALA A 1 72  ? 14.20300 22.52500 9.66400   1.000 24.22054 ? 72  ALA A O   1 
ATOM   450  C  CB  . ALA A 1 72  ? 16.87900 23.78600 10.88700  1.000 20.93067 ? 72  ALA A CB  1 
ATOM   451  N  N   . LEU A 1 73  ? 15.33200 23.53100 7.97900   1.000 20.99326 ? 73  LEU A N   1 
ATOM   452  C  CA  A LEU A 1 73  ? 14.86600 22.57200 6.98200   0.499 21.69251 ? 73  LEU A CA  1 
ATOM   453  C  CA  B LEU A 1 73  ? 14.84000 22.60400 6.96400   0.501 21.69698 ? 73  LEU A CA  1 
ATOM   454  C  C   . LEU A 1 73  ? 15.75800 22.63700 5.74700   1.000 24.37249 ? 73  LEU A C   1 
ATOM   455  O  O   . LEU A 1 73  ? 16.67400 23.47200 5.65200   1.000 24.77749 ? 73  LEU A O   1 
ATOM   456  C  CB  A LEU A 1 73  ? 13.39200 22.80700 6.62100   0.499 21.83346 ? 73  LEU A CB  1 
ATOM   457  C  CB  B LEU A 1 73  ? 13.39600 22.93000 6.56900   0.501 21.80892 ? 73  LEU A CB  1 
ATOM   458  C  CG  A LEU A 1 73  ? 13.08000 23.90500 5.60700   0.499 18.25199 ? 73  LEU A CG  1 
ATOM   459  C  CG  B LEU A 1 73  ? 13.15900 24.40700 6.26200   0.501 19.81965 ? 73  LEU A CG  1 
ATOM   460  C  CD1 A LEU A 1 73  ? 11.57900 24.08400 5.47600   0.499 20.34537 ? 73  LEU A CD1 1 
ATOM   461  C  CD1 B LEU A 1 73  ? 13.57300 24.74200 4.83600   0.501 19.92743 ? 73  LEU A CD1 1 
ATOM   462  C  CD2 A LEU A 1 73  ? 13.73700 25.20400 6.03100   0.499 23.60025 ? 73  LEU A CD2 1 
ATOM   463  C  CD2 B LEU A 1 73  ? 11.69600 24.76800 6.50200   0.501 21.29037 ? 73  LEU A CD2 1 
ATOM   464  N  N   . GLY A 1 74  ? 15.49900 21.70700 4.81400   1.000 22.03497 ? 74  GLY A N   1 
ATOM   465  C  CA  . GLY A 1 74  ? 16.20200 21.64400 3.54900   1.000 21.07688 ? 74  GLY A CA  1 
ATOM   466  C  C   . GLY A 1 74  ? 15.47900 20.76700 2.55800   1.000 19.58371 ? 74  GLY A C   1 
ATOM   467  O  O   . GLY A 1 74  ? 14.69000 19.88000 2.93700   1.000 21.11981 ? 74  GLY A O   1 
ATOM   468  N  N   . TRP A 1 75  ? 15.74600 21.00900 1.27300   1.000 17.27361 ? 75  TRP A N   1 
ATOM   469  C  CA  . TRP A 1 75  ? 15.17900 20.15700 0.21800   1.000 20.92607 ? 75  TRP A CA  1 
ATOM   470  C  C   . TRP A 1 75  ? 16.05700 20.19500 -1.03100  1.000 20.81274 ? 75  TRP A C   1 
ATOM   471  O  O   . TRP A 1 75  ? 16.95000 21.03400 -1.16900  1.000 20.66760 ? 75  TRP A O   1 
ATOM   472  C  CB  . TRP A 1 75  ? 13.70900 20.54700 -0.12500  1.000 16.26480 ? 75  TRP A CB  1 
ATOM   473  C  CG  . TRP A 1 75  ? 13.57500 21.87500 -0.82300  1.000 17.16532 ? 75  TRP A CG  1 
ATOM   474  C  CD1 . TRP A 1 75  ? 13.55000 22.10400 -2.16700  1.000 20.30168 ? 75  TRP A CD1 1 
ATOM   475  C  CD2 . TRP A 1 75  ? 13.41800 23.12300 -0.20300  1.000 17.07427 ? 75  TRP A CD2 1 
ATOM   476  N  NE1 . TRP A 1 75  ? 13.39300 23.42300 -2.42100  1.000 18.81247 ? 75  TRP A NE1 1 
ATOM   477  C  CE2 . TRP A 1 75  ? 13.30100 24.09100 -1.23000  1.000 15.60943 ? 75  TRP A CE2 1 
ATOM   478  C  CE3 . TRP A 1 75  ? 13.35200 23.53800 1.12800   1.000 18.60851 ? 75  TRP A CE3 1 
ATOM   479  C  CZ2 . TRP A 1 75  ? 13.14200 25.45900 -0.97100  1.000 17.51686 ? 75  TRP A CZ2 1 
ATOM   480  C  CZ3 . TRP A 1 75  ? 13.19300 24.89300 1.38800   1.000 21.60827 ? 75  TRP A CZ3 1 
ATOM   481  C  CH2 . TRP A 1 75  ? 13.09200 25.84200 0.34100   1.000 20.25959 ? 75  TRP A CH2 1 
ATOM   482  N  N   . THR A 1 76  ? 15.81700 19.23400 -1.92500  1.000 17.63905 ? 76  THR A N   1 
ATOM   483  C  CA  . THR A 1 76  ? 16.57100 19.03300 -3.15100  1.000 17.25382 ? 76  THR A CA  1 
ATOM   484  C  C   . THR A 1 76  ? 15.64700 18.92500 -4.35300  1.000 21.65078 ? 76  THR A C   1 
ATOM   485  O  O   . THR A 1 76  ? 14.59300 18.27700 -4.28600  1.000 22.09594 ? 76  THR A O   1 
ATOM   486  C  CB  . THR A 1 76  ? 17.43000 17.74800 -3.09300  1.000 17.45452 ? 76  THR A CB  1 
ATOM   487  O  OG1 . THR A 1 76  ? 18.26100 17.74400 -1.91300  1.000 19.41674 ? 76  THR A OG1 1 
ATOM   488  C  CG2 . THR A 1 76  ? 18.27300 17.60500 -4.34600  1.000 19.58933 ? 76  THR A CG2 1 
ATOM   489  N  N   . VAL A 1 77  ? 16.09000 19.49200 -5.47100  1.000 20.18288 ? 77  VAL A N   1 
ATOM   490  C  CA  . VAL A 1 77  ? 15.48600 19.27700 -6.78300  1.000 20.60440 ? 77  VAL A CA  1 
ATOM   491  C  C   . VAL A 1 77  ? 16.58500 18.82600 -7.74000  1.000 23.25417 ? 77  VAL A C   1 
ATOM   492  O  O   . VAL A 1 77  ? 17.59500 19.52500 -7.89700  1.000 21.88261 ? 77  VAL A O   1 
ATOM   493  C  CB  . VAL A 1 77  ? 14.80400 20.54700 -7.31400  1.000 22.14001 ? 77  VAL A CB  1 
ATOM   494  C  CG1 . VAL A 1 77  ? 14.50300 20.41700 -8.82600  1.000 24.05981 ? 77  VAL A CG1 1 
ATOM   495  C  CG2 . VAL A 1 77  ? 13.58000 20.88500 -6.49700  1.000 20.80896 ? 77  VAL A CG2 1 
ATOM   496  N  N   . ALA A 1 78  ? 16.38600 17.67000 -8.39300  1.000 21.84195 ? 78  ALA A N   1 
ATOM   497  C  CA  . ALA A 1 78  ? 17.17800 17.31800 -9.56800  1.000 21.48200 ? 78  ALA A CA  1 
ATOM   498  C  C   . ALA A 1 78  ? 16.44700 17.81100 -10.80700 1.000 24.52996 ? 78  ALA A C   1 
ATOM   499  O  O   . ALA A 1 78  ? 15.24200 17.58100 -10.94900 1.000 24.68249 ? 78  ALA A O   1 
ATOM   500  C  CB  . ALA A 1 78  ? 17.41600 15.80100 -9.65100  1.000 21.96505 ? 78  ALA A CB  1 
ATOM   501  N  N   . TRP A 1 79  ? 17.17900 18.44700 -11.71400 1.000 20.79553 ? 79  TRP A N   1 
ATOM   502  C  CA  . TRP A 1 79  ? 16.57300 19.25600 -12.76700 1.000 26.13706 ? 79  TRP A CA  1 
ATOM   503  C  C   . TRP A 1 79  ? 16.30400 18.42900 -14.02500 1.000 30.38127 ? 79  TRP A C   1 
ATOM   504  O  O   . TRP A 1 79  ? 16.68600 18.76500 -15.15500 1.000 27.55131 ? 79  TRP A O   1 
ATOM   505  C  CB  . TRP A 1 79  ? 17.44600 20.46800 -13.05700 1.000 22.74510 ? 79  TRP A CB  1 
ATOM   506  C  CG  . TRP A 1 79  ? 17.47800 21.42900 -11.87800 1.000 21.88306 ? 79  TRP A CG  1 
ATOM   507  C  CD1 . TRP A 1 79  ? 18.51900 21.63900 -11.01900 1.000 23.07253 ? 79  TRP A CD1 1 
ATOM   508  C  CD2 . TRP A 1 79  ? 16.39400 22.25500 -11.40900 1.000 24.79642 ? 79  TRP A CD2 1 
ATOM   509  N  NE1 . TRP A 1 79  ? 18.16900 22.57700 -10.06800 1.000 23.51908 ? 79  TRP A NE1 1 
ATOM   510  C  CE2 . TRP A 1 79  ? 16.87200 22.97100 -10.28700 1.000 24.02566 ? 79  TRP A CE2 1 
ATOM   511  C  CE3 . TRP A 1 79  ? 15.07800 22.47500 -11.83900 1.000 21.11836 ? 79  TRP A CE3 1 
ATOM   512  C  CZ2 . TRP A 1 79  ? 16.08300 23.89300 -9.58700  1.000 20.38974 ? 79  TRP A CZ2 1 
ATOM   513  C  CZ3 . TRP A 1 79  ? 14.29500 23.40400 -11.14400 1.000 24.61940 ? 79  TRP A CZ3 1 
ATOM   514  C  CH2 . TRP A 1 79  ? 14.79400 24.08900 -10.02300 1.000 21.58666 ? 79  TRP A CH2 1 
ATOM   515  N  N   . LYS A 1 80  ? 15.62500 17.31600 -13.79100 1.000 26.24308 ? 80  LYS A N   1 
ATOM   516  C  CA  . LYS A 1 80  ? 15.14300 16.44200 -14.85000 1.000 29.90368 ? 80  LYS A CA  1 
ATOM   517  C  C   . LYS A 1 80  ? 13.65900 16.18200 -14.63400 1.000 23.17716 ? 80  LYS A C   1 
ATOM   518  O  O   . LYS A 1 80  ? 13.22600 15.83800 -13.52800 1.000 26.48134 ? 80  LYS A O   1 
ATOM   519  C  CB  . LYS A 1 80  ? 15.93200 15.13100 -14.89000 1.000 28.56259 ? 80  LYS A CB  1 
ATOM   520  C  CG  . LYS A 1 80  ? 15.32800 14.06400 -15.79500 1.000 31.04012 ? 80  LYS A CG  1 
ATOM   521  C  CD  . LYS A 1 80  ? 15.89000 12.69500 -15.43600 1.000 33.27560 ? 80  LYS A CD  1 
ATOM   522  C  CE  . LYS A 1 80  ? 15.30400 11.64500 -16.35700 1.000 45.81056 ? 80  LYS A CE  1 
ATOM   523  N  NZ  . LYS A 1 80  ? 14.01700 11.15400 -15.79800 1.000 44.78492 ? 80  LYS A NZ  1 
ATOM   524  N  N   . ASN A 1 81  ? 12.88000 16.38200 -15.68700 1.000 30.40851 ? 81  ASN A N   1 
ATOM   525  C  CA  . ASN A 1 81  ? 11.48400 15.98900 -15.68900 1.000 32.95256 ? 81  ASN A CA  1 
ATOM   526  C  C   . ASN A 1 81  ? 11.19100 15.42400 -17.07400 1.000 35.91420 ? 81  ASN A C   1 
ATOM   527  O  O   . ASN A 1 81  ? 12.10700 15.13000 -17.84800 1.000 34.57461 ? 81  ASN A O   1 
ATOM   528  C  CB  . ASN A 1 81  ? 10.58400 17.16700 -15.28500 1.000 32.95022 ? 81  ASN A CB  1 
ATOM   529  C  CG  . ASN A 1 81  ? 10.63200 18.31200 -16.26900 1.000 28.99489 ? 81  ASN A CG  1 
ATOM   530  O  OD1 . ASN A 1 81  ? 11.15500 18.18500 -17.38100 1.000 34.70143 ? 81  ASN A OD1 1 
ATOM   531  N  ND2 . ASN A 1 81  ? 10.11700 19.45400 -15.85000 1.000 30.18073 ? 81  ASN A ND2 1 
ATOM   532  N  N   . ASN A 1 82  ? 9.90800  15.27300 -17.40300 1.000 36.82247 ? 82  ASN A N   1 
ATOM   533  C  CA  . ASN A 1 82  ? 9.57200  14.70200 -18.70000 1.000 45.52822 ? 82  ASN A CA  1 
ATOM   534  C  C   . ASN A 1 82  ? 9.95500  15.61000 -19.86200 1.000 48.79332 ? 82  ASN A C   1 
ATOM   535  O  O   . ASN A 1 82  ? 10.10600 15.11600 -20.98400 1.000 50.53227 ? 82  ASN A O   1 
ATOM   536  C  CB  . ASN A 1 82  ? 8.07800  14.38700 -18.76000 1.000 47.34093 ? 82  ASN A CB  1 
ATOM   537  C  CG  . ASN A 1 82  ? 7.71600  13.18100 -17.92700 1.000 49.76275 ? 82  ASN A CG  1 
ATOM   538  O  OD1 . ASN A 1 82  ? 8.51700  12.25700 -17.77200 1.000 54.69719 ? 82  ASN A OD1 1 
ATOM   539  N  ND2 . ASN A 1 82  ? 6.50400  13.18100 -17.37800 1.000 53.50284 ? 82  ASN A ND2 1 
ATOM   540  N  N   . TYR A 1 83  ? 10.12200 16.91400 -19.62200 1.000 39.59499 ? 83  TYR A N   1 
ATOM   541  C  CA  . TYR A 1 83  ? 10.33500 17.89100 -20.68100 1.000 36.07122 ? 83  TYR A CA  1 
ATOM   542  C  C   . TYR A 1 83  ? 11.79200 18.25600 -20.90000 1.000 44.61182 ? 83  TYR A C   1 
ATOM   543  O  O   . TYR A 1 83  ? 12.18400 18.54600 -22.03700 1.000 41.79774 ? 83  TYR A O   1 
ATOM   544  C  CB  . TYR A 1 83  ? 9.59100  19.19300 -20.36300 1.000 42.86581 ? 83  TYR A CB  1 
ATOM   545  C  CG  . TYR A 1 83  ? 8.09700  19.06000 -20.27300 1.000 39.12807 ? 83  TYR A CG  1 
ATOM   546  C  CD1 . TYR A 1 83  ? 7.33100  18.79100 -21.39900 1.000 48.48633 ? 83  TYR A CD1 1 
ATOM   547  C  CD2 . TYR A 1 83  ? 7.45000  19.19600 -19.05300 1.000 50.00896 ? 83  TYR A CD2 1 
ATOM   548  C  CE1 . TYR A 1 83  ? 5.95900  18.67500 -21.31200 1.000 52.61252 ? 83  TYR A CE1 1 
ATOM   549  C  CE2 . TYR A 1 83  ? 6.07900  19.08000 -18.95300 1.000 59.21828 ? 83  TYR A CE2 1 
ATOM   550  C  CZ  . TYR A 1 83  ? 5.33500  18.81900 -20.08200 1.000 63.00223 ? 83  TYR A CZ  1 
ATOM   551  O  OH  . TYR A 1 83  ? 3.96700  18.70300 -19.97700 1.000 66.30792 ? 83  TYR A OH  1 
ATOM   552  N  N   A ARG A 1 84  ? 12.60400 18.26000 -19.84400 0.539 37.96753 ? 84  ARG A N   1 
ATOM   553  N  N   B ARG A 1 84  ? 12.59800 18.27000 -19.84300 0.461 37.96693 ? 84  ARG A N   1 
ATOM   554  C  CA  A ARG A 1 84  ? 13.92500 18.86200 -19.90200 0.539 37.38956 ? 84  ARG A CA  1 
ATOM   555  C  CA  B ARG A 1 84  ? 13.93100 18.83900 -19.91900 0.461 37.37069 ? 84  ARG A CA  1 
ATOM   556  C  C   A ARG A 1 84  ? 14.84200 18.15100 -18.92200 0.539 30.70488 ? 84  ARG A C   1 
ATOM   557  C  C   B ARG A 1 84  ? 14.83800 18.11400 -18.94400 0.461 30.76206 ? 84  ARG A C   1 
ATOM   558  O  O   A ARG A 1 84  ? 14.39500 17.63700 -17.89400 0.539 32.64889 ? 84  ARG A O   1 
ATOM   559  O  O   B ARG A 1 84  ? 14.38300 17.55900 -17.94100 0.461 32.62641 ? 84  ARG A O   1 
ATOM   560  C  CB  A ARG A 1 84  ? 13.86300 20.35700 -19.56200 0.539 37.01631 ? 84  ARG A CB  1 
ATOM   561  C  CB  B ARG A 1 84  ? 13.92000 20.33600 -19.59300 0.461 37.02674 ? 84  ARG A CB  1 
ATOM   562  C  CG  A ARG A 1 84  ? 14.81500 21.23900 -20.34700 0.539 38.68772 ? 84  ARG A CG  1 
ATOM   563  C  CG  B ARG A 1 84  ? 14.00400 21.24600 -20.80000 0.461 40.30927 ? 84  ARG A CG  1 
ATOM   564  C  CD  A ARG A 1 84  ? 14.54800 22.70400 -20.03700 0.539 40.21324 ? 84  ARG A CD  1 
ATOM   565  C  CD  B ARG A 1 84  ? 15.32500 22.00100 -20.83200 0.461 38.05674 ? 84  ARG A CD  1 
ATOM   566  N  NE  A ARG A 1 84  ? 15.56400 23.58400 -20.61000 0.539 39.92440 ? 84  ARG A NE  1 
ATOM   567  N  NE  B ARG A 1 84  ? 15.24400 23.37600 -20.33900 0.461 40.14974 ? 84  ARG A NE  1 
ATOM   568  C  CZ  A ARG A 1 84  ? 15.40300 24.88500 -20.81800 0.539 38.73674 ? 84  ARG A CZ  1 
ATOM   569  C  CZ  B ARG A 1 84  ? 14.16100 24.14900 -20.35700 0.461 39.09753 ? 84  ARG A CZ  1 
ATOM   570  N  NH1 A ARG A 1 84  ? 14.27300 25.50000 -20.50900 0.539 43.24542 ? 84  ARG A NH1 1 
ATOM   571  N  NH1 B ARG A 1 84  ? 13.01700 23.73900 -20.88200 0.461 39.94732 ? 84  ARG A NH1 1 
ATOM   572  N  NH2 A ARG A 1 84  ? 16.40300 25.58500 -21.34700 0.539 40.55343 ? 84  ARG A NH2 1 
ATOM   573  N  NH2 B ARG A 1 84  ? 14.23100 25.37200 -19.84000 0.461 40.73866 ? 84  ARG A NH2 1 
ATOM   574  N  N   . ASN A 1 85  ? 16.12800 18.11500 -19.25600 1.000 32.58561 ? 85  ASN A N   1 
ATOM   575  C  CA  . ASN A 1 85  ? 17.13900 17.61200 -18.33800 1.000 29.10658 ? 85  ASN A CA  1 
ATOM   576  C  C   . ASN A 1 85  ? 18.30800 18.58100 -18.38100 1.000 37.24153 ? 85  ASN A C   1 
ATOM   577  O  O   . ASN A 1 85  ? 18.89000 18.82000 -19.44800 1.000 31.91881 ? 85  ASN A O   1 
ATOM   578  C  CB  . ASN A 1 85  ? 17.59200 16.19600 -18.68900 1.000 35.84505 ? 85  ASN A CB  1 
ATOM   579  C  CG  . ASN A 1 85  ? 18.46300 15.58900 -17.60600 1.000 33.76427 ? 85  ASN A CG  1 
ATOM   580  O  OD1 . ASN A 1 85  ? 18.96300 16.30600 -16.74100 1.000 33.21755 ? 85  ASN A OD1 1 
ATOM   581  N  ND2 . ASN A 1 85  ? 18.63900 14.26800 -17.63600 1.000 32.30905 ? 85  ASN A ND2 1 
ATOM   582  N  N   . ALA A 1 86  ? 18.62900 19.16200 -17.22800 1.000 27.07974 ? 86  ALA A N   1 
ATOM   583  C  CA  . ALA A 1 86  ? 19.71200 20.12600 -17.12600 1.000 29.87907 ? 86  ALA A CA  1 
ATOM   584  C  C   . ALA A 1 86  ? 20.92700 19.55100 -16.41100 1.000 29.29471 ? 86  ALA A C   1 
ATOM   585  O  O   . ALA A 1 86  ? 21.82800 20.31100 -16.03800 1.000 28.26424 ? 86  ALA A O   1 
ATOM   586  C  CB  . ALA A 1 86  ? 19.22700 21.38600 -16.40800 1.000 26.34967 ? 86  ALA A CB  1 
ATOM   587  N  N   . HIS A 1 87  ? 20.96300 18.23600 -16.20000 1.000 28.85733 ? 87  HIS A N   1 
ATOM   588  C  CA  . HIS A 1 87  ? 22.12500 17.55000 -15.62700 1.000 27.41077 ? 87  HIS A CA  1 
ATOM   589  C  C   . HIS A 1 87  ? 22.67400 18.30600 -14.41200 1.000 24.73385 ? 87  HIS A C   1 
ATOM   590  O  O   . HIS A 1 87  ? 23.87300 18.59300 -14.30800 1.000 25.74079 ? 87  HIS A O   1 
ATOM   591  C  CB  . HIS A 1 87  ? 23.21300 17.35300 -16.68500 1.000 30.45682 ? 87  HIS A CB  1 
ATOM   592  C  CG  . HIS A 1 87  ? 22.75900 16.56200 -17.87600 1.000 33.78596 ? 87  HIS A CG  1 
ATOM   593  N  ND1 . HIS A 1 87  ? 22.03100 15.39400 -17.76200 1.000 36.33866 ? 87  HIS A ND1 1 
ATOM   594  C  CD2 . HIS A 1 87  ? 22.94500 16.76200 -19.20400 1.000 33.67524 ? 87  HIS A CD2 1 
ATOM   595  C  CE1 . HIS A 1 87  ? 21.78000 14.91500 -18.96800 1.000 34.12760 ? 87  HIS A CE1 1 
ATOM   596  N  NE2 . HIS A 1 87  ? 22.32900 15.72200 -19.86000 1.000 36.87939 ? 87  HIS A NE2 1 
ATOM   597  N  N   . SER A 1 88  ? 21.78800 18.58400 -13.46200 1.000 28.58361 ? 88  SER A N   1 
ATOM   598  C  CA  . SER A 1 88  ? 22.15300 19.39200 -12.30700 1.000 24.21270 ? 88  SER A CA  1 
ATOM   599  C  C   . SER A 1 88  ? 21.15100 19.15000 -11.19000 1.000 23.64990 ? 88  SER A C   1 
ATOM   600  O  O   . SER A 1 88  ? 20.06300 18.58500 -11.39400 1.000 24.29163 ? 88  SER A O   1 
ATOM   601  C  CB  . SER A 1 88  ? 22.21400 20.87300 -12.67700 1.000 24.13094 ? 88  SER A CB  1 
ATOM   602  O  OG  . SER A 1 88  ? 21.02600 21.30300 -13.33300 1.000 23.17077 ? 88  SER A OG  1 
ATOM   603  N  N   . ALA A 1 89  ? 21.52100 19.60900 -9.99800  1.000 19.89783 ? 89  ALA A N   1 
ATOM   604  C  CA  . ALA A 1 89  ? 20.64500 19.50600 -8.83600  1.000 21.82177 ? 89  ALA A CA  1 
ATOM   605  C  C   . ALA A 1 89  ? 20.89300 20.71600 -7.94100  1.000 18.93481 ? 89  ALA A C   1 
ATOM   606  O  O   . ALA A 1 89  ? 22.03600 21.15200 -7.80900  1.000 20.60443 ? 89  ALA A O   1 
ATOM   607  C  CB  . ALA A 1 89  ? 20.92200 18.21500 -8.06400  1.000 20.73758 ? 89  ALA A CB  1 
ATOM   608  N  N   . THR A 1 90  ? 19.83300 21.21600 -7.30300  1.000 18.62163 ? 90  THR A N   1 
ATOM   609  C  CA  . THR A 1 90  ? 19.94900 22.30700 -6.33700  1.000 14.89965 ? 90  THR A CA  1 
ATOM   610  C  C   . THR A 1 90  ? 19.47300 21.82400 -4.98400  1.000 19.39071 ? 90  THR A C   1 
ATOM   611  O  O   . THR A 1 90  ? 18.44900 21.13100 -4.89800  1.000 20.89866 ? 90  THR A O   1 
ATOM   612  C  CB  . THR A 1 90  ? 19.10900 23.51500 -6.76600  1.000 17.43656 ? 90  THR A CB  1 
ATOM   613  O  OG1 . THR A 1 90  ? 19.56800 23.97200 -8.04300  1.000 20.08038 ? 90  THR A OG1 1 
ATOM   614  C  CG2 . THR A 1 90  ? 19.23800 24.68400 -5.72700  1.000 17.72013 ? 90  THR A CG2 1 
ATOM   615  N  N   . THR A 1 91  ? 20.19700 22.17900 -3.92400  1.000 14.51447 ? 91  THR A N   1 
ATOM   616  C  CA  . THR A 1 91  ? 19.71500 21.97700 -2.56400  1.000 17.04721 ? 91  THR A CA  1 
ATOM   617  C  C   . THR A 1 91  ? 19.53000 23.32800 -1.89700  1.000 19.44503 ? 91  THR A C   1 
ATOM   618  O  O   . THR A 1 91  ? 20.39300 24.21700 -2.02600  1.000 18.00425 ? 91  THR A O   1 
ATOM   619  C  CB  . THR A 1 91  ? 20.65900 21.12300 -1.72000  1.000 15.85064 ? 91  THR A CB  1 
ATOM   620  O  OG1 . THR A 1 91  ? 21.92400 21.77400 -1.59800  1.000 16.21263 ? 91  THR A OG1 1 
ATOM   621  C  CG2 . THR A 1 91  ? 20.84300 19.72200 -2.37700  1.000 15.93163 ? 91  THR A CG2 1 
ATOM   622  N  N   . TRP A 1 92  ? 18.38600 23.49800 -1.23300  1.000 16.56869 ? 92  TRP A N   1 
ATOM   623  C  CA  . TRP A 1 92  ? 18.14900 24.67900 -0.41700  1.000 17.96744 ? 92  TRP A CA  1 
ATOM   624  C  C   . TRP A 1 92  ? 18.23500 24.29900 1.04700   1.000 18.02248 ? 92  TRP A C   1 
ATOM   625  O  O   . TRP A 1 92  ? 17.61100 23.32200 1.47900   1.000 17.98172 ? 92  TRP A O   1 
ATOM   626  C  CB  . TRP A 1 92  ? 16.74800 25.25900 -0.67900  1.000 14.81691 ? 92  TRP A CB  1 
ATOM   627  C  CG  . TRP A 1 92  ? 16.52900 25.88900 -2.00800  1.000 15.83237 ? 92  TRP A CG  1 
ATOM   628  C  CD1 . TRP A 1 92  ? 16.47700 27.23700 -2.28700  1.000 18.21682 ? 92  TRP A CD1 1 
ATOM   629  C  CD2 . TRP A 1 92  ? 16.25100 25.21500 -3.23600  1.000 17.55969 ? 92  TRP A CD2 1 
ATOM   630  N  NE1 . TRP A 1 92  ? 16.18400 27.42700 -3.62000  1.000 17.18675 ? 92  TRP A NE1 1 
ATOM   631  C  CE2 . TRP A 1 92  ? 16.04300 26.20000 -4.21900  1.000 17.51313 ? 92  TRP A CE2 1 
ATOM   632  C  CE3 . TRP A 1 92  ? 16.15100 23.86200 -3.60100  1.000 20.84763 ? 92  TRP A CE3 1 
ATOM   633  C  CZ2 . TRP A 1 92  ? 15.73800 25.88100 -5.54800  1.000 19.13025 ? 92  TRP A CZ2 1 
ATOM   634  C  CZ3 . TRP A 1 92  ? 15.84800 23.55400 -4.91600  1.000 22.59471 ? 92  TRP A CZ3 1 
ATOM   635  C  CH2 . TRP A 1 92  ? 15.64800 24.54600 -5.87500  1.000 19.87965 ? 92  TRP A CH2 1 
ATOM   636  N  N   . SER A 1 93  ? 18.92700 25.13200 1.81700   1.000 16.73143 ? 93  SER A N   1 
ATOM   637  C  CA  . SER A 1 93  ? 19.09900 24.95600 3.25100   1.000 19.31396 ? 93  SER A CA  1 
ATOM   638  C  C   . SER A 1 93  ? 18.70500 26.26400 3.93600   1.000 18.55311 ? 93  SER A C   1 
ATOM   639  O  O   . SER A 1 93  ? 19.14600 27.34200 3.52900   1.000 17.29672 ? 93  SER A O   1 
ATOM   640  C  CB  . SER A 1 93  ? 20.56200 24.58200 3.55500   1.000 15.15208 ? 93  SER A CB  1 
ATOM   641  O  OG  . SER A 1 93  ? 20.78100 24.42100 4.94800   1.000 18.69937 ? 93  SER A OG  1 
ATOM   642  N  N   . GLY A 1 94  ? 17.83600 26.19400 4.93600   1.000 19.58639 ? 94  GLY A N   1 
ATOM   643  C  CA  . GLY A 1 94  ? 17.38600 27.43200 5.53800   1.000 19.05442 ? 94  GLY A CA  1 
ATOM   644  C  C   . GLY A 1 94  ? 16.49700 27.21800 6.74300   1.000 19.47070 ? 94  GLY A C   1 
ATOM   645  O  O   . GLY A 1 94  ? 16.51800 26.16800 7.38100   1.000 22.87777 ? 94  GLY A O   1 
ATOM   646  N  N   . GLN A 1 95  ? 15.73900 28.26600 7.08800   1.000 20.72052 ? 95  GLN A N   1 
ATOM   647  C  CA  . GLN A 1 95  ? 14.83800 28.13000 8.21200   1.000 21.29657 ? 95  GLN A CA  1 
ATOM   648  C  C   . GLN A 1 95  ? 13.51600 28.79800 7.89200   1.000 22.04996 ? 95  GLN A C   1 
ATOM   649  O  O   . GLN A 1 95  ? 13.45500 29.77300 7.14300   1.000 20.37970 ? 95  GLN A O   1 
ATOM   650  C  CB  . GLN A 1 95  ? 15.43600 28.69100 9.50800   1.000 26.95420 ? 95  GLN A CB  1 
ATOM   651  C  CG  . GLN A 1 95  ? 15.88600 30.11800 9.49200   1.000 26.15778 ? 95  GLN A CG  1 
ATOM   652  C  CD  . GLN A 1 95  ? 16.64700 30.47500 10.77900  1.000 29.68418 ? 95  GLN A CD  1 
ATOM   653  O  OE1 . GLN A 1 95  ? 16.24100 30.08600 11.87900  1.000 28.95124 ? 95  GLN A OE1 1 
ATOM   654  N  NE2 . GLN A 1 95  ? 17.74600 31.21900 10.64400  1.000 26.91650 ? 95  GLN A NE2 1 
ATOM   655  N  N   . TYR A 1 96  ? 12.45700 28.21400 8.43600   1.000 23.04796 ? 96  TYR A N   1 
ATOM   656  C  CA  . TYR A 1 96  ? 11.11400 28.77000 8.33800   1.000 24.58571 ? 96  TYR A CA  1 
ATOM   657  C  C   . TYR A 1 96  ? 10.87800 29.68300 9.52800   1.000 19.79471 ? 96  TYR A C   1 
ATOM   658  O  O   . TYR A 1 96  ? 11.24000 29.34700 10.66500  1.000 23.67015 ? 96  TYR A O   1 
ATOM   659  C  CB  . TYR A 1 96  ? 10.09600 27.62800 8.29100   1.000 21.92580 ? 96  TYR A CB  1 
ATOM   660  C  CG  . TYR A 1 96  ? 8.70200  27.99400 8.71200   1.000 25.90568 ? 96  TYR A CG  1 
ATOM   661  C  CD1 . TYR A 1 96  ? 8.34700  27.96400 10.05000  1.000 27.35416 ? 96  TYR A CD1 1 
ATOM   662  C  CD2 . TYR A 1 96  ? 7.76500  28.40100 7.78000   1.000 25.55381 ? 96  TYR A CD2 1 
ATOM   663  C  CE1 . TYR A 1 96  ? 7.05000  28.31300 10.45600  1.000 32.06061 ? 96  TYR A CE1 1 
ATOM   664  C  CE2 . TYR A 1 96  ? 6.47000  28.75800 8.17700   1.000 29.55076 ? 96  TYR A CE2 1 
ATOM   665  C  CZ  . TYR A 1 96  ? 6.13600  28.70000 9.51200   1.000 27.75037 ? 96  TYR A CZ  1 
ATOM   666  O  OH  . TYR A 1 96  ? 4.85500  29.04500 9.91400   1.000 35.16809 ? 96  TYR A OH  1 
ATOM   667  N  N   . VAL A 1 97  ? 10.30600 30.85700 9.25900   1.000 21.48050 ? 97  VAL A N   1 
ATOM   668  C  CA  . VAL A 1 97  ? 10.01200 31.86100 10.27000  1.000 25.17959 ? 97  VAL A CA  1 
ATOM   669  C  C   . VAL A 1 97  ? 8.52100  32.17900 10.15500  1.000 26.30268 ? 97  VAL A C   1 
ATOM   670  O  O   . VAL A 1 97  ? 8.07700  32.75400 9.15200   1.000 27.77925 ? 97  VAL A O   1 
ATOM   671  C  CB  . VAL A 1 97  ? 10.86500 33.12300 10.08300  1.000 31.10560 ? 97  VAL A CB  1 
ATOM   672  C  CG1 . VAL A 1 97  ? 10.43200 34.21200 11.05900  1.000 36.80681 ? 97  VAL A CG1 1 
ATOM   673  C  CG2 . VAL A 1 97  ? 12.36200 32.80700 10.26900  1.000 32.17485 ? 97  VAL A CG2 1 
ATOM   674  N  N   . GLY A 1 98  ? 7.75100  31.79700 11.16800  1.000 34.16708 ? 98  GLY A N   1 
ATOM   675  C  CA  . GLY A 1 98  ? 6.30800  31.95100 11.12300  1.000 37.70631 ? 98  GLY A CA  1 
ATOM   676  C  C   . GLY A 1 98  ? 5.84000  33.36100 11.44500  1.000 35.83877 ? 98  GLY A C   1 
ATOM   677  O  O   . GLY A 1 98  ? 6.62100  34.27700 11.69600  1.000 34.22014 ? 98  GLY A O   1 
ATOM   678  N  N   . GLY A 1 99  ? 4.52300  33.52700 11.42400  1.000 46.36766 ? 99  GLY A N   1 
ATOM   679  C  CA  . GLY A 1 99  ? 3.90400  34.79300 11.76700  1.000 44.58898 ? 99  GLY A CA  1 
ATOM   680  C  C   . GLY A 1 99  ? 3.23900  35.44700 10.56800  1.000 41.67825 ? 99  GLY A C   1 
ATOM   681  O  O   . GLY A 1 99  ? 3.08900  34.85800 9.49400   1.000 44.65760 ? 99  GLY A O   1 
ATOM   682  N  N   . ALA A 1 100 ? 2.83700  36.70300 10.77400  1.000 43.30439 ? 100 ALA A N   1 
ATOM   683  C  CA  . ALA A 1 100 ? 2.06300  37.41100 9.76000   1.000 46.10299 ? 100 ALA A CA  1 
ATOM   684  C  C   . ALA A 1 100 ? 2.82800  37.49100 8.44700   1.000 53.68079 ? 100 ALA A C   1 
ATOM   685  O  O   . ALA A 1 100 ? 2.26000  37.27300 7.37100   1.000 58.08274 ? 100 ALA A O   1 
ATOM   686  C  CB  . ALA A 1 100 ? 1.70400  38.80900 10.26200  1.000 53.48514 ? 100 ALA A CB  1 
ATOM   687  N  N   . GLN A 1 101 ? 4.11100  37.83300 8.51900   1.000 46.08325 ? 101 GLN A N   1 
ATOM   688  C  CA  . GLN A 1 101 ? 5.00100  37.83200 7.36000   1.000 51.15011 ? 101 GLN A CA  1 
ATOM   689  C  C   . GLN A 1 101 ? 5.84200  36.55200 7.33900   1.000 32.97143 ? 101 GLN A C   1 
ATOM   690  O  O   . GLN A 1 101 ? 7.06500  36.59700 7.43700   1.000 39.31783 ? 101 GLN A O   1 
ATOM   691  C  CB  . GLN A 1 101 ? 5.90700  39.05900 7.39000   1.000 49.16277 ? 101 GLN A CB  1 
ATOM   692  C  CG  . GLN A 1 101 ? 5.22600  40.40400 7.61700   1.000 67.37300 ? 101 GLN A CG  1 
ATOM   693  C  CD  . GLN A 1 101 ? 3.98100  40.58200 6.78100   1.000 70.02949 ? 101 GLN A CD  1 
ATOM   694  O  OE1 . GLN A 1 101 ? 3.01900  39.81900 6.90000   1.000 75.43100 ? 101 GLN A OE1 1 
ATOM   695  N  NE2 . GLN A 1 101 ? 3.99800  41.58600 5.91100   1.000 74.47738 ? 101 GLN A NE2 1 
ATOM   696  N  N   . ALA A 1 102 ? 5.18400  35.40000 7.22800   1.000 34.93325 ? 102 ALA A N   1 
ATOM   697  C  CA  . ALA A 1 102 ? 5.91800  34.13200 7.27800   1.000 33.16805 ? 102 ALA A CA  1 
ATOM   698  C  C   . ALA A 1 102 ? 6.91300  34.04400 6.12700   1.000 33.46536 ? 102 ALA A C   1 
ATOM   699  O  O   . ALA A 1 102 ? 6.64300  34.49800 5.01400   1.000 25.63817 ? 102 ALA A O   1 
ATOM   700  C  CB  . ALA A 1 102 ? 4.96400  32.94700 7.22300   1.000 33.29678 ? 102 ALA A CB  1 
ATOM   701  N  N   . ARG A 1 103 ? 8.06700  33.42500 6.39400   1.000 27.20118 ? 103 ARG A N   1 
ATOM   702  C  CA  . ARG A 1 103 ? 9.16500  33.39000 5.43600   1.000 25.19012 ? 103 ARG A CA  1 
ATOM   703  C  C   . ARG A 1 103 ? 9.89100  32.06200 5.54100   1.000 20.57902 ? 103 ARG A C   1 
ATOM   704  O  O   . ARG A 1 103 ? 9.94000  31.45400 6.61500   1.000 23.64682 ? 103 ARG A O   1 
ATOM   705  C  CB  . ARG A 1 103 ? 10.17800 34.49600 5.68400   1.000 31.22689 ? 103 ARG A CB  1 
ATOM   706  C  CG  . ARG A 1 103 ? 9.81200  35.83600 5.08700   1.000 41.14041 ? 103 ARG A CG  1 
ATOM   707  C  CD  . ARG A 1 103 ? 10.75400 36.86500 5.64000   1.000 49.78982 ? 103 ARG A CD  1 
ATOM   708  N  NE  . ARG A 1 103 ? 10.35300 37.26700 6.98500   1.000 59.55287 ? 103 ARG A NE  1 
ATOM   709  C  CZ  . ARG A 1 103 ? 11.11100 37.14000 8.06600   1.000 61.21900 ? 103 ARG A CZ  1 
ATOM   710  N  NH1 . ARG A 1 103 ? 12.31000 36.58100 8.01000   1.000 42.29791 ? 103 ARG A NH1 1 
ATOM   711  N  NH2 . ARG A 1 103 ? 10.65100 37.58500 9.23600   1.000 50.93986 ? 103 ARG A NH2 1 
ATOM   712  N  N   . ILE A 1 104 ? 10.43700 31.60500 4.41200   1.000 22.26261 ? 104 ILE A N   1 
ATOM   713  C  CA  . ILE A 1 104 ? 11.49900 30.60200 4.41700   1.000 21.90896 ? 104 ILE A CA  1 
ATOM   714  C  C   . ILE A 1 104 ? 12.72300 31.27600 3.80200   1.000 18.34577 ? 104 ILE A C   1 
ATOM   715  O  O   . ILE A 1 104 ? 12.72500 31.62500 2.61200   1.000 19.63398 ? 104 ILE A O   1 
ATOM   716  C  CB  . ILE A 1 104 ? 11.10600 29.31300 3.68000   1.000 21.45386 ? 104 ILE A CB  1 
ATOM   717  C  CG1 . ILE A 1 104 ? 9.85100  28.70900 4.31900   1.000 22.13224 ? 104 ILE A CG1 1 
ATOM   718  C  CG2 . ILE A 1 104 ? 12.21200 28.26100 3.73300   1.000 23.68398 ? 104 ILE A CG2 1 
ATOM   719  C  CD1 . ILE A 1 104 ? 9.27500  27.48300 3.56500   1.000 24.16741 ? 104 ILE A CD1 1 
ATOM   720  N  N   . ASN A 1 105 ? 13.75000 31.47800 4.62600   1.000 21.32333 ? 105 ASN A N   1 
ATOM   721  C  CA  . ASN A 1 105 ? 15.00100 32.12600 4.22200   1.000 17.54191 ? 105 ASN A CA  1 
ATOM   722  C  C   . ASN A 1 105 ? 16.01200 31.01900 3.92600   1.000 17.66922 ? 105 ASN A C   1 
ATOM   723  O  O   . ASN A 1 105 ? 16.25800 30.17400 4.78700   1.000 20.89217 ? 105 ASN A O   1 
ATOM   724  C  CB  . ASN A 1 105 ? 15.51800 33.02900 5.33100   1.000 20.77115 ? 105 ASN A CB  1 
ATOM   725  C  CG  . ASN A 1 105 ? 14.52500 34.11900 5.69000   1.000 32.17559 ? 105 ASN A CG  1 
ATOM   726  O  OD1 . ASN A 1 105 ? 14.21400 34.35000 6.86300   1.000 33.22115 ? 105 ASN A OD1 1 
ATOM   727  N  ND2 . ASN A 1 105 ? 14.01300 34.77400 4.67200   1.000 22.13310 ? 105 ASN A ND2 1 
ATOM   728  N  N   . THR A 1 106 ? 16.58100 31.01800 2.73000   1.000 17.87161 ? 106 THR A N   1 
ATOM   729  C  CA  . THR A 1 106 ? 17.46900 29.91800 2.33900   1.000 16.65552 ? 106 THR A CA  1 
ATOM   730  C  C   . THR A 1 106 ? 18.74500 30.43100 1.69000   1.000 18.54826 ? 106 THR A C   1 
ATOM   731  O  O   . THR A 1 106 ? 18.81700 31.51500 1.11400   1.000 16.38574 ? 106 THR A O   1 
ATOM   732  C  CB  . THR A 1 106 ? 16.80800 28.94300 1.35400   1.000 15.68382 ? 106 THR A CB  1 
ATOM   733  O  OG1 . THR A 1 106 ? 16.65600 29.55500 0.06900   1.000 18.26851 ? 106 THR A OG1 1 
ATOM   734  C  CG2 . THR A 1 106 ? 15.43800 28.42800 1.86800   1.000 17.73649 ? 106 THR A CG2 1 
ATOM   735  N  N   . GLN A 1 107 ? 19.75600 29.57500 1.75300   1.000 16.49831 ? 107 GLN A N   1 
ATOM   736  C  CA  . GLN A 1 107 ? 20.87300 29.58900 0.82500   1.000 16.67777 ? 107 GLN A CA  1 
ATOM   737  C  C   . GLN A 1 107 ? 20.84900 28.29100 0.03300   1.000 15.06633 ? 107 GLN A C   1 
ATOM   738  O  O   . GLN A 1 107 ? 20.29800 27.27200 0.49600   1.000 18.31089 ? 107 GLN A O   1 
ATOM   739  C  CB  . GLN A 1 107 ? 22.19900 29.75500 1.57500   1.000 15.86442 ? 107 GLN A CB  1 
ATOM   740  C  CG  . GLN A 1 107 ? 21.97800 30.75500 2.72000   1.000 29.96380 ? 107 GLN A CG  1 
ATOM   741  C  CD  . GLN A 1 107 ? 23.19900 31.51300 3.15400   1.000 23.10309 ? 107 GLN A CD  1 
ATOM   742  O  OE1 . GLN A 1 107 ? 23.98900 32.02000 2.33300   1.000 26.99327 ? 107 GLN A OE1 1 
ATOM   743  N  NE2 . GLN A 1 107 ? 23.38500 31.58300 4.47300   1.000 30.84947 ? 107 GLN A NE2 1 
ATOM   744  N  N   . TRP A 1 108 ? 21.39800 28.31500 -1.18200  1.000 13.77065 ? 108 TRP A N   1 
ATOM   745  C  CA  . TRP A 1 108 ? 21.30900 27.10800 -2.00200  1.000 12.14892 ? 108 TRP A CA  1 
ATOM   746  C  C   . TRP A 1 108 ? 22.62200 26.84800 -2.72600  1.000 16.20380 ? 108 TRP A C   1 
ATOM   747  O  O   . TRP A 1 108 ? 23.44900 27.74800 -2.91100  1.000 16.40673 ? 108 TRP A O   1 
ATOM   748  C  CB  . TRP A 1 108 ? 20.16500 27.17700 -3.02400  1.000 14.09657 ? 108 TRP A CB  1 
ATOM   749  C  CG  . TRP A 1 108 ? 20.10100 28.43400 -3.89400  1.000 16.84927 ? 108 TRP A CG  1 
ATOM   750  C  CD1 . TRP A 1 108 ? 19.24300 29.47800 -3.75200  1.000 18.30957 ? 108 TRP A CD1 1 
ATOM   751  C  CD2 . TRP A 1 108 ? 20.87500 28.71300 -5.06600  1.000 16.83720 ? 108 TRP A CD2 1 
ATOM   752  N  NE1 . TRP A 1 108 ? 19.45200 30.41400 -4.74400  1.000 17.18560 ? 108 TRP A NE1 1 
ATOM   753  C  CE2 . TRP A 1 108 ? 20.44100 29.96400 -5.57000  1.000 17.74272 ? 108 TRP A CE2 1 
ATOM   754  C  CE3 . TRP A 1 108 ? 21.90000 28.03600 -5.73600  1.000 16.11295 ? 108 TRP A CE3 1 
ATOM   755  C  CZ2 . TRP A 1 108 ? 21.00000 30.55400 -6.70700  1.000 16.97140 ? 108 TRP A CZ2 1 
ATOM   756  C  CZ3 . TRP A 1 108 ? 22.45900 28.62500 -6.85500  1.000 15.39182 ? 108 TRP A CZ3 1 
ATOM   757  C  CH2 . TRP A 1 108 ? 22.02200 29.87000 -7.32400  1.000 17.34833 ? 108 TRP A CH2 1 
ATOM   758  N  N   . LEU A 1 109 ? 22.77600 25.58400 -3.13900  1.000 15.57822 ? 109 LEU A N   1 
ATOM   759  C  CA  . LEU A 1 109 ? 23.93100 25.08100 -3.87200  1.000 14.22953 ? 109 LEU A CA  1 
ATOM   760  C  C   . LEU A 1 109 ? 23.42200 24.37900 -5.11100  1.000 19.70072 ? 109 LEU A C   1 
ATOM   761  O  O   . LEU A 1 109 ? 22.64800 23.42700 -4.99200  1.000 20.40755 ? 109 LEU A O   1 
ATOM   762  C  CB  . LEU A 1 109 ? 24.73500 24.09000 -3.03600  1.000 16.85054 ? 109 LEU A CB  1 
ATOM   763  C  CG  . LEU A 1 109 ? 25.50900 24.62800 -1.81500  1.000 18.14734 ? 109 LEU A CG  1 
ATOM   764  C  CD1 . LEU A 1 109 ? 26.11200 23.49500 -0.94600  1.000 19.25606 ? 109 LEU A CD1 1 
ATOM   765  C  CD2 . LEU A 1 109 ? 26.58700 25.65000 -2.18900  1.000 19.16359 ? 109 LEU A CD2 1 
ATOM   766  N  N   . LEU A 1 110 ? 23.85800 24.81300 -6.28000  1.000 16.79308 ? 110 LEU A N   1 
ATOM   767  C  CA  A LEU A 1 110 ? 23.48800 24.16200 -7.53600  0.721 15.46791 ? 110 LEU A CA  1 
ATOM   768  C  CA  B LEU A 1 110 ? 23.49600 24.18600 -7.54700  0.279 15.62185 ? 110 LEU A CA  1 
ATOM   769  C  C   . LEU A 1 110 ? 24.73700 23.50700 -8.11300  1.000 15.39907 ? 110 LEU A C   1 
ATOM   770  O  O   . LEU A 1 110 ? 25.69600 24.18600 -8.48600  1.000 18.19714 ? 110 LEU A O   1 
ATOM   771  C  CB  A LEU A 1 110 ? 22.86300 25.15800 -8.51300  0.721 19.09677 ? 110 LEU A CB  1 
ATOM   772  C  CB  B LEU A 1 110 ? 22.94700 25.23300 -8.51400  0.279 19.08089 ? 110 LEU A CB  1 
ATOM   773  C  CG  A LEU A 1 110 ? 22.24700 24.65400 -9.82300  0.721 21.20059 ? 110 LEU A CG  1 
ATOM   774  C  CG  B LEU A 1 110 ? 22.80200 24.87800 -9.99200  0.279 19.98377 ? 110 LEU A CG  1 
ATOM   775  C  CD1 A LEU A 1 110 ? 21.42800 25.78000 -10.48100 0.721 21.00904 ? 110 LEU A CD1 1 
ATOM   776  C  CD1 B LEU A 1 110 ? 22.07700 23.55200 -10.16700 0.279 19.81918 ? 110 LEU A CD1 1 
ATOM   777  C  CD2 A LEU A 1 110 ? 23.30300 24.11200 -10.80300 0.721 17.92145 ? 110 LEU A CD2 1 
ATOM   778  C  CD2 B LEU A 1 110 ? 22.08500 26.01000 -10.73200 0.279 17.98221 ? 110 LEU A CD2 1 
ATOM   779  N  N   . THR A 1 111 ? 24.73400 22.18300 -8.16900  1.000 19.65093 ? 111 THR A N   1 
ATOM   780  C  CA  . THR A 1 111 ? 25.84900 21.44700 -8.75400  1.000 20.78442 ? 111 THR A CA  1 
ATOM   781  C  C   . THR A 1 111 ? 25.40400 20.91000 -10.10900 1.000 23.99314 ? 111 THR A C   1 
ATOM   782  O  O   . THR A 1 111 ? 24.29700 20.37500 -10.23800 1.000 21.32663 ? 111 THR A O   1 
ATOM   783  C  CB  . THR A 1 111 ? 26.32600 20.28700 -7.85900  1.000 21.34751 ? 111 THR A CB  1 
ATOM   784  O  OG1 . THR A 1 111 ? 26.69900 20.75000 -6.55300  1.000 20.35113 ? 111 THR A OG1 1 
ATOM   785  C  CG2 . THR A 1 111 ? 27.56000 19.57800 -8.47400  1.000 22.02258 ? 111 THR A CG2 1 
ATOM   786  N  N   . TYR A 1 112 ? 26.25700 21.05400 -11.12600 1.000 21.55502 ? 112 TYR A N   1 
ATOM   787  C  CA  . TYR A 1 112 ? 25.95500 20.41800 -12.39600 1.000 25.50452 ? 112 TYR A CA  1 
ATOM   788  C  C   . TYR A 1 112 ? 27.05400 19.42400 -12.74400 1.000 23.39117 ? 112 TYR A C   1 
ATOM   789  O  O   . TYR A 1 112 ? 28.19000 19.53900 -12.29700 1.000 25.31771 ? 112 TYR A O   1 
ATOM   790  C  CB  . TYR A 1 112 ? 25.72800 21.42800 -13.54800 1.000 27.53269 ? 112 TYR A CB  1 
ATOM   791  C  CG  . TYR A 1 112 ? 26.89600 22.31300 -13.90500 1.000 32.88946 ? 112 TYR A CG  1 
ATOM   792  C  CD1 . TYR A 1 112 ? 27.17900 23.45500 -13.17300 1.000 33.74106 ? 112 TYR A CD1 1 
ATOM   793  C  CD2 . TYR A 1 112 ? 27.70200 22.01100 -14.99500 1.000 40.69013 ? 112 TYR A CD2 1 
ATOM   794  C  CE1 . TYR A 1 112 ? 28.25600 24.28200 -13.51400 1.000 34.05788 ? 112 TYR A CE1 1 
ATOM   795  C  CE2 . TYR A 1 112 ? 28.77000 22.82000 -15.34500 1.000 38.69043 ? 112 TYR A CE2 1 
ATOM   796  C  CZ  . TYR A 1 112 ? 29.04700 23.95100 -14.60500 1.000 38.13587 ? 112 TYR A CZ  1 
ATOM   797  O  OH  . TYR A 1 112 ? 30.12000 24.73500 -14.98900 1.000 46.30588 ? 112 TYR A OH  1 
ATOM   798  N  N   . GLY A 1 113 ? 26.67500 18.38800 -13.48200 1.000 25.19416 ? 113 GLY A N   1 
ATOM   799  C  CA  . GLY A 1 113 ? 27.64200 17.35900 -13.83700 1.000 27.39216 ? 113 GLY A CA  1 
ATOM   800  C  C   . GLY A 1 113 ? 28.76500 17.89600 -14.68600 1.000 26.64461 ? 113 GLY A C   1 
ATOM   801  O  O   . GLY A 1 113 ? 28.52000 18.63900 -15.63900 1.000 29.51620 ? 113 GLY A O   1 
ATOM   802  N  N   . THR A 1 114 ? 30.01800 17.56300 -14.34600 1.000 27.17150 ? 114 THR A N   1 
ATOM   803  C  CA  . THR A 1 114 ? 31.17200 18.05500 -15.09200 1.000 26.28036 ? 114 THR A CA  1 
ATOM   804  C  C   . THR A 1 114 ? 32.21200 16.95000 -15.20400 1.000 25.44153 ? 114 THR A C   1 
ATOM   805  O  O   . THR A 1 114 ? 32.19000 15.96200 -14.46500 1.000 29.01299 ? 114 THR A O   1 
ATOM   806  C  CB  . THR A 1 114 ? 31.88300 19.24700 -14.43200 1.000 27.01532 ? 114 THR A CB  1 
ATOM   807  O  OG1 . THR A 1 114 ? 32.49000 18.79900 -13.21200 1.000 29.95350 ? 114 THR A OG1 1 
ATOM   808  C  CG2 . THR A 1 114 ? 30.90900 20.41500 -14.16700 1.000 26.94889 ? 114 THR A CG2 1 
ATOM   809  N  N   . THR A 1 115 ? 33.14000 17.15200 -16.12400 1.000 29.24988 ? 115 THR A N   1 
ATOM   810  C  CA  . THR A 1 115 ? 34.32600 16.31600 -16.14200 1.000 32.94639 ? 115 THR A CA  1 
ATOM   811  C  C   . THR A 1 115 ? 35.19300 16.64900 -14.93300 1.000 30.83753 ? 115 THR A C   1 
ATOM   812  O  O   . THR A 1 115 ? 35.04400 17.69900 -14.30600 1.000 29.89084 ? 115 THR A O   1 
ATOM   813  C  CB  . THR A 1 115 ? 35.11300 16.53600 -17.43300 1.000 31.91868 ? 115 THR A CB  1 
ATOM   814  O  OG1 . THR A 1 115 ? 35.60600 17.87900 -17.46200 1.000 34.08885 ? 115 THR A OG1 1 
ATOM   815  C  CG2 . THR A 1 115 ? 34.21700 16.29900 -18.63700 1.000 37.04287 ? 115 THR A CG2 1 
ATOM   816  N  N   . GLU A 1 116 ? 36.09900 15.73200 -14.58600 1.000 34.38424 ? 116 GLU A N   1 
ATOM   817  C  CA  . GLU A 1 116 ? 36.93200 15.99100 -13.41700 1.000 33.76853 ? 116 GLU A CA  1 
ATOM   818  C  C   . GLU A 1 116 ? 37.77900 17.23700 -13.62000 1.000 30.24240 ? 116 GLU A C   1 
ATOM   819  O  O   . GLU A 1 116 ? 38.02500 17.98900 -12.66800 1.000 31.72452 ? 116 GLU A O   1 
ATOM   820  C  CB  . GLU A 1 116 ? 37.79400 14.76500 -13.09900 1.000 37.64525 ? 116 GLU A CB  1 
ATOM   821  C  CG  . GLU A 1 116 ? 36.96100 13.55400 -12.63800 1.000 39.80154 ? 116 GLU A CG  1 
ATOM   822  C  CD  . GLU A 1 116 ? 37.77200 12.54800 -11.84400 0.010 46.85312 ? 116 GLU A CD  1 
ATOM   823  O  OE1 . GLU A 1 116 ? 38.35200 12.93400 -10.80900 1.000 56.67902 ? 116 GLU A OE1 1 
ATOM   824  O  OE2 . GLU A 1 116 ? 37.80600 11.36300 -12.24200 1.000 44.61483 ? 116 GLU A OE2 1 
ATOM   825  N  N   . ALA A 1 117 ? 38.18200 17.50900 -14.86200 1.000 30.15537 ? 117 ALA A N   1 
ATOM   826  C  CA  . ALA A 1 117 ? 39.00200 18.68200 -15.12800 1.000 36.16456 ? 117 ALA A CA  1 
ATOM   827  C  C   . ALA A 1 117 ? 38.25000 19.97500 -14.85100 1.000 34.04255 ? 117 ALA A C   1 
ATOM   828  O  O   . ALA A 1 117 ? 38.86900 20.98300 -14.49900 1.000 32.83527 ? 117 ALA A O   1 
ATOM   829  C  CB  . ALA A 1 117 ? 39.50500 18.65500 -16.57100 1.000 42.89984 ? 117 ALA A CB  1 
ATOM   830  N  N   . ASN A 1 118 ? 36.92400 19.96800 -14.98500 1.000 31.58351 ? 118 ASN A N   1 
ATOM   831  C  CA  . ASN A 1 118 ? 36.13200 21.16800 -14.76800 1.000 32.13706 ? 118 ASN A CA  1 
ATOM   832  C  C   . ASN A 1 118 ? 35.40300 21.16100 -13.43000 1.000 27.81036 ? 118 ASN A C   1 
ATOM   833  O  O   . ASN A 1 118 ? 34.62400 22.07200 -13.15600 1.000 25.63586 ? 118 ASN A O   1 
ATOM   834  C  CB  . ASN A 1 118 ? 35.13700 21.35400 -15.91600 1.000 31.87443 ? 118 ASN A CB  1 
ATOM   835  C  CG  . ASN A 1 118 ? 35.82800 21.51100 -17.25400 1.000 40.30737 ? 118 ASN A CG  1 
ATOM   836  O  OD1 . ASN A 1 118 ? 36.86800 22.17100 -17.35500 1.000 40.92091 ? 118 ASN A OD1 1 
ATOM   837  N  ND2 . ASN A 1 118 ? 35.27100 20.89000 -18.28400 1.000 44.02886 ? 118 ASN A ND2 1 
ATOM   838  N  N   . ALA A 1 119 ? 35.66500 20.17400 -12.58000 1.000 26.29905 ? 119 ALA A N   1 
ATOM   839  C  CA  . ALA A 1 119 ? 34.89600 20.02400 -11.35000 1.000 27.29846 ? 119 ALA A CA  1 
ATOM   840  C  C   . ALA A 1 119 ? 35.07600 21.20400 -10.40000 1.000 24.73467 ? 119 ALA A C   1 
ATOM   841  O  O   . ALA A 1 119 ? 34.17800 21.48700 -9.59900  1.000 23.67873 ? 119 ALA A O   1 
ATOM   842  C  CB  . ALA A 1 119 ? 35.29700 18.72200 -10.65400 1.000 26.02064 ? 119 ALA A CB  1 
ATOM   843  N  N   . TRP A 1 120 ? 36.22400 21.89800 -10.45000 1.000 22.78720 ? 120 TRP A N   1 
ATOM   844  C  CA  . TRP A 1 120 ? 36.39300 23.07000 -9.59500  1.000 21.28579 ? 120 TRP A CA  1 
ATOM   845  C  C   . TRP A 1 120 ? 35.30600 24.11900 -9.84900  1.000 24.76244 ? 120 TRP A C   1 
ATOM   846  O  O   . TRP A 1 120 ? 35.04000 24.95800 -8.97200  1.000 22.30811 ? 120 TRP A O   1 
ATOM   847  C  CB  . TRP A 1 120 ? 37.78400 23.70700 -9.80500  1.000 22.76796 ? 120 TRP A CB  1 
ATOM   848  C  CG  . TRP A 1 120 ? 37.94500 24.30600 -11.16800 1.000 24.38185 ? 120 TRP A CG  1 
ATOM   849  C  CD1 . TRP A 1 120 ? 38.41100 23.67300 -12.28600 1.000 27.96859 ? 120 TRP A CD1 1 
ATOM   850  C  CD2 . TRP A 1 120 ? 37.58200 25.62400 -11.57700 1.000 22.60054 ? 120 TRP A CD2 1 
ATOM   851  N  NE1 . TRP A 1 120 ? 38.37500 24.51600 -13.35400 1.000 26.33982 ? 120 TRP A NE1 1 
ATOM   852  C  CE2 . TRP A 1 120 ? 37.88000 25.72900 -12.94900 1.000 26.56071 ? 120 TRP A CE2 1 
ATOM   853  C  CE3 . TRP A 1 120 ? 37.05400 26.74600 -10.90800 1.000 22.41148 ? 120 TRP A CE3 1 
ATOM   854  C  CZ2 . TRP A 1 120 ? 37.66100 26.90700 -13.67900 1.000 27.99474 ? 120 TRP A CZ2 1 
ATOM   855  C  CZ3 . TRP A 1 120 ? 36.87200 27.92500 -11.62800 1.000 22.20167 ? 120 TRP A CZ3 1 
ATOM   856  C  CH2 . TRP A 1 120 ? 37.15200 27.98500 -13.00400 1.000 24.74694 ? 120 TRP A CH2 1 
ATOM   857  N  N   . ALA A 1 121 ? 34.66800 24.08800 -11.02600 1.000 21.47224 ? 121 ALA A N   1 
ATOM   858  C  CA  . ALA A 1 121 ? 33.68100 25.08900 -11.41300 1.000 23.78016 ? 121 ALA A CA  1 
ATOM   859  C  C   . ALA A 1 121 ? 32.25900 24.53300 -11.42400 1.000 23.40149 ? 121 ALA A C   1 
ATOM   860  O  O   . ALA A 1 121 ? 31.38500 25.09500 -12.09400 1.000 29.01208 ? 121 ALA A O   1 
ATOM   861  C  CB  . ALA A 1 121 ? 34.01600 25.65800 -12.78900 1.000 27.24469 ? 121 ALA A CB  1 
ATOM   862  N  N   . SER A 1 122 ? 32.00400 23.46200 -10.68900 1.000 20.96286 ? 122 SER A N   1 
ATOM   863  C  CA  . SER A 1 122 ? 30.74300 22.73600 -10.84000 1.000 19.25087 ? 122 SER A CA  1 
ATOM   864  C  C   . SER A 1 122 ? 29.61600 23.25400 -9.96000  1.000 20.58157 ? 122 SER A C   1 
ATOM   865  O  O   . SER A 1 122 ? 28.49000 22.76200 -10.08800 1.000 20.59712 ? 122 SER A O   1 
ATOM   866  C  CB  . SER A 1 122 ? 30.94300 21.24900 -10.52000 1.000 23.76745 ? 122 SER A CB  1 
ATOM   867  O  OG  . SER A 1 122 ? 31.31300 21.09400 -9.16800  1.000 23.60661 ? 122 SER A OG  1 
ATOM   868  N  N   . THR A 1 123 ? 29.87000 24.18600 -9.04100  1.000 19.27743 ? 123 THR A N   1 
ATOM   869  C  CA  . THR A 1 123 ? 28.87200 24.48600 -8.01800  1.000 17.29158 ? 123 THR A CA  1 
ATOM   870  C  C   . THR A 1 123 ? 28.63000 25.98500 -7.91800  1.000 17.61490 ? 123 THR A C   1 
ATOM   871  O  O   . THR A 1 123 ? 29.55800 26.75300 -7.62300  1.000 19.53024 ? 123 THR A O   1 
ATOM   872  C  CB  . THR A 1 123 ? 29.27800 23.93400 -6.64400  1.000 18.73869 ? 123 THR A CB  1 
ATOM   873  O  OG1 . THR A 1 123 ? 29.62200 22.55600 -6.77400  1.000 22.97728 ? 123 THR A OG1 1 
ATOM   874  C  CG2 . THR A 1 123 ? 28.10300 24.03500 -5.65100  1.000 19.03997 ? 123 THR A CG2 1 
ATOM   875  N  N   . LEU A 1 124 ? 27.37800 26.38300 -8.12600  1.000 17.47678 ? 124 LEU A N   1 
ATOM   876  C  CA  A LEU A 1 124 ? 26.93100 27.75100 -7.89100  0.680 18.37984 ? 124 LEU A CA  1 
ATOM   877  C  CA  B LEU A 1 124 ? 26.93800 27.75100 -7.89000  0.320 18.40099 ? 124 LEU A CA  1 
ATOM   878  C  C   . LEU A 1 124 ? 26.31000 27.87000 -6.50500  1.000 17.13194 ? 124 LEU A C   1 
ATOM   879  O  O   . LEU A 1 124 ? 25.75400 26.90600 -5.96600  1.000 17.41153 ? 124 LEU A O   1 
ATOM   880  C  CB  A LEU A 1 124 ? 25.89000 28.18700 -8.93100  0.680 21.16439 ? 124 LEU A CB  1 
ATOM   881  C  CB  B LEU A 1 124 ? 25.92700 28.19700 -8.95300  0.320 21.12451 ? 124 LEU A CB  1 
ATOM   882  C  CG  A LEU A 1 124 ? 26.30500 28.22300 -10.39500 0.680 22.14098 ? 124 LEU A CG  1 
ATOM   883  C  CG  B LEU A 1 124 ? 26.48800 28.65400 -10.30000 0.320 22.37218 ? 124 LEU A CG  1 
ATOM   884  C  CD1 A LEU A 1 124 ? 25.04100 28.37400 -11.25400 0.680 21.49335 ? 124 LEU A CD1 1 
ATOM   885  C  CD1 B LEU A 1 124 ? 27.08400 27.49600 -11.07400 0.320 21.35388 ? 124 LEU A CD1 1 
ATOM   886  C  CD2 A LEU A 1 124 ? 27.27400 29.37500 -10.62800 0.680 24.10054 ? 124 LEU A CD2 1 
ATOM   887  C  CD2 B LEU A 1 124 ? 25.40200 29.33300 -11.12200 0.320 23.57089 ? 124 LEU A CD2 1 
ATOM   888  N  N   . VAL A 1 125 ? 26.40500 29.07400 -5.92100  1.000 17.77341 ? 125 VAL A N   1 
ATOM   889  C  CA  . VAL A 1 125 ? 25.81600 29.33200 -4.61400  1.000 15.22663 ? 125 VAL A CA  1 
ATOM   890  C  C   . VAL A 1 125 ? 24.93800 30.57600 -4.70900  1.000 15.82370 ? 125 VAL A C   1 
ATOM   891  O  O   . VAL A 1 125 ? 25.26600 31.52700 -5.42800  1.000 17.50288 ? 125 VAL A O   1 
ATOM   892  C  CB  . VAL A 1 125 ? 26.88900 29.49500 -3.52000  1.000 15.35150 ? 125 VAL A CB  1 
ATOM   893  C  CG1 . VAL A 1 125 ? 27.85200 30.66100 -3.82600  1.000 15.60762 ? 125 VAL A CG1 1 
ATOM   894  C  CG2 . VAL A 1 125 ? 26.23300 29.62700 -2.12100  1.000 15.59040 ? 125 VAL A CG2 1 
ATOM   895  N  N   . GLY A 1 126 ? 23.80800 30.53900 -4.02700  1.000 13.31220 ? 126 GLY A N   1 
ATOM   896  C  CA  . GLY A 1 126 ? 22.96200 31.71500 -3.97700  1.000 12.57179 ? 126 GLY A CA  1 
ATOM   897  C  C   . GLY A 1 126 ? 22.04900 31.70500 -2.77300  1.000 15.50227 ? 126 GLY A C   1 
ATOM   898  O  O   . GLY A 1 126 ? 22.23200 30.93600 -1.83100  1.000 15.92642 ? 126 GLY A O   1 
ATOM   899  N  N   . HIS A 1 127 ? 21.06400 32.60900 -2.79600  1.000 18.31549 ? 127 HIS A N   1 
ATOM   900  C  CA  . HIS A 1 127 ? 20.13900 32.72600 -1.67200  1.000 16.62733 ? 127 HIS A CA  1 
ATOM   901  C  C   . HIS A 1 127 ? 18.76200 33.09300 -2.19700  1.000 18.85947 ? 127 HIS A C   1 
ATOM   902  O  O   . HIS A 1 127 ? 18.65800 33.95800 -3.06700  1.000 19.29967 ? 127 HIS A O   1 
ATOM   903  C  CB  . HIS A 1 127 ? 20.62700 33.79400 -0.69100  1.000 20.03826 ? 127 HIS A CB  1 
ATOM   904  C  CG  . HIS A 1 127 ? 21.07100 35.04600 -1.36700  1.000 18.87350 ? 127 HIS A CG  1 
ATOM   905  N  ND1 . HIS A 1 127 ? 20.25200 36.15100 -1.51200  1.000 22.75567 ? 127 HIS A ND1 1 
ATOM   906  C  CD2 . HIS A 1 127 ? 22.24800 35.36700 -1.96500  1.000 19.12968 ? 127 HIS A CD2 1 
ATOM   907  C  CE1 . HIS A 1 127 ? 20.92000 37.10500 -2.14500  1.000 24.04994 ? 127 HIS A CE1 1 
ATOM   908  N  NE2 . HIS A 1 127 ? 22.12800 36.65900 -2.43300  1.000 25.05141 ? 127 HIS A NE2 1 
ATOM   909  N  N   . ASP A 1 128 ? 17.73800 32.40900 -1.68000  1.000 17.02966 ? 128 ASP A N   1 
ATOM   910  C  CA  . ASP A 1 128 ? 16.33400 32.63100 -2.04200  1.000 19.00249 ? 128 ASP A CA  1 
ATOM   911  C  C   . ASP A 1 128 ? 15.53500 32.89300 -0.78700  1.000 14.17675 ? 128 ASP A C   1 
ATOM   912  O  O   . ASP A 1 128 ? 15.66500 32.17200 0.20600   1.000 20.12171 ? 128 ASP A O   1 
ATOM   913  C  CB  . ASP A 1 128 ? 15.71000 31.42700 -2.73800  1.000 17.92695 ? 128 ASP A CB  1 
ATOM   914  C  CG  . ASP A 1 128 ? 16.19800 31.21500 -4.15100  1.000 19.36224 ? 128 ASP A CG  1 
ATOM   915  O  OD1 . ASP A 1 128 ? 16.87900 32.07300 -4.74500  1.000 20.52369 ? 128 ASP A OD1 1 
ATOM   916  O  OD2 . ASP A 1 128 ? 15.88200 30.13300 -4.66800  1.000 21.63144 ? 128 ASP A OD2 1 
ATOM   917  N  N   . THR A 1 129 ? 14.62000 33.87300 -0.85500  1.000 19.37349 ? 129 THR A N   1 
ATOM   918  C  CA  . THR A 1 129 ? 13.68200 34.12400 0.22000   1.000 19.24595 ? 129 THR A CA  1 
ATOM   919  C  C   . THR A 1 129 ? 12.29200 33.80900 -0.29200  1.000 17.93278 ? 129 THR A C   1 
ATOM   920  O  O   . THR A 1 129 ? 11.88400 34.35300 -1.32500  1.000 21.15525 ? 129 THR A O   1 
ATOM   921  C  CB  . THR A 1 129 ? 13.73800 35.57000 0.69700   1.000 26.54296 ? 129 THR A CB  1 
ATOM   922  O  OG1 . THR A 1 129 ? 15.06700 35.89000 1.12600   1.000 31.79299 ? 129 THR A OG1 1 
ATOM   923  C  CG2 . THR A 1 129 ? 12.73400 35.76300 1.85000   1.000 23.08265 ? 129 THR A CG2 1 
ATOM   924  N  N   . PHE A 1 130 ? 11.60300 32.91100 0.40700   1.000 19.06995 ? 130 PHE A N   1 
ATOM   925  C  CA  . PHE A 1 130 ? 10.27200 32.45700 0.02200   1.000 23.61968 ? 130 PHE A CA  1 
ATOM   926  C  C   . PHE A 1 130 ? 9.21700  33.09700 0.90900   1.000 23.76106 ? 130 PHE A C   1 
ATOM   927  O  O   . PHE A 1 130 ? 9.37700  33.17700 2.13100   1.000 23.71495 ? 130 PHE A O   1 
ATOM   928  C  CB  . PHE A 1 130 ? 10.16500 30.94600 0.12800   1.000 21.58362 ? 130 PHE A CB  1 
ATOM   929  C  CG  . PHE A 1 130 ? 11.07400 30.21300 -0.82600  1.000 23.14099 ? 130 PHE A CG  1 
ATOM   930  C  CD1 . PHE A 1 130 ? 12.38700 29.91700 -0.47500  1.000 22.13300 ? 130 PHE A CD1 1 
ATOM   931  C  CD2 . PHE A 1 130 ? 10.61600 29.84000 -2.08400  1.000 21.76121 ? 130 PHE A CD2 1 
ATOM   932  C  CE1 . PHE A 1 130 ? 13.23300 29.24600 -1.36600  1.000 21.98872 ? 130 PHE A CE1 1 
ATOM   933  C  CE2 . PHE A 1 130 ? 11.43200 29.16600 -2.98700  1.000 21.92928 ? 130 PHE A CE2 1 
ATOM   934  C  CZ  . PHE A 1 130 ? 12.75700 28.86500 -2.62400  1.000 21.68130 ? 130 PHE A CZ  1 
ATOM   935  N  N   . THR A 1 131 ? 8.12500  33.52800 0.28500   1.000 24.75892 ? 131 THR A N   1 
ATOM   936  C  CA  A THR A 1 131 ? 7.01100  34.12500 1.01100   0.703 23.62649 ? 131 THR A CA  1 
ATOM   937  C  CA  B THR A 1 131 ? 7.01100  34.16300 0.97200   0.297 23.76083 ? 131 THR A CA  1 
ATOM   938  C  C   . THR A 1 131 ? 5.72500  33.46800 0.54600   1.000 25.22396 ? 131 THR A C   1 
ATOM   939  O  O   . THR A 1 131 ? 5.68100  32.78900 -0.48500  1.000 24.62818 ? 131 THR A O   1 
ATOM   940  C  CB  A THR A 1 131 ? 6.91000  35.64800 0.80700   0.703 26.32919 ? 131 THR A CB  1 
ATOM   941  C  CB  B THR A 1 131 ? 6.94500  35.66900 0.65300   0.297 26.48792 ? 131 THR A CB  1 
ATOM   942  O  OG1 A THR A 1 131 ? 6.73300  35.93200 -0.58300  0.703 26.73635 ? 131 THR A OG1 1 
ATOM   943  O  OG1 B THR A 1 131 ? 8.15900  36.30600 1.08600   0.297 28.44878 ? 131 THR A OG1 1 
ATOM   944  C  CG2 A THR A 1 131 ? 8.19000  36.34600 1.31300   0.703 28.30537 ? 131 THR A CG2 1 
ATOM   945  C  CG2 B THR A 1 131 ? 5.76900  36.32200 1.34500   0.297 26.34060 ? 131 THR A CG2 1 
ATOM   946  N  N   . LYS A 1 132 ? 4.67700  33.65900 1.34300   1.000 28.62709 ? 132 LYS A N   1 
ATOM   947  C  CA  . LYS A 1 132 ? 3.38100  33.07800 1.01600   1.000 30.13267 ? 132 LYS A CA  1 
ATOM   948  C  C   . LYS A 1 132 ? 2.61900  33.88100 -0.04100  1.000 32.07704 ? 132 LYS A C   1 
ATOM   949  O  O   . LYS A 1 132 ? 1.67400  33.35700 -0.63100  1.000 29.77679 ? 132 LYS A O   1 
ATOM   950  C  CB  . LYS A 1 132 ? 2.53000  32.95300 2.28400   1.000 32.56122 ? 132 LYS A CB  1 
ATOM   951  C  CG  . LYS A 1 132 ? 2.89200  31.76700 3.16100   1.000 26.23000 ? 132 LYS A CG  1 
ATOM   952  C  CD  . LYS A 1 132 ? 2.90700  30.48800 2.35800   1.000 33.34365 ? 132 LYS A CD  1 
ATOM   953  C  CE  . LYS A 1 132 ? 2.08000  29.39500 2.99300   1.000 39.29912 ? 132 LYS A CE  1 
ATOM   954  N  NZ  . LYS A 1 132 ? 1.41500  28.57400 1.94500   1.000 37.49957 ? 132 LYS A NZ  1 
ATOM   955  N  N   . VAL A 1 133 ? 3.01800  35.11700 -0.31600  1.000 34.86290 ? 133 VAL A N   1 
ATOM   956  C  CA  . VAL A 1 133 ? 2.38500  35.93200 -1.34400  1.000 40.02252 ? 133 VAL A CA  1 
ATOM   957  C  C   . VAL A 1 133 ? 3.40000  36.19600 -2.44600  1.000 36.82304 ? 133 VAL A C   1 
ATOM   958  O  O   . VAL A 1 133 ? 4.59200  36.38100 -2.17300  1.000 42.90697 ? 133 VAL A O   1 
ATOM   959  C  CB  . VAL A 1 133 ? 1.83500  37.24500 -0.75800  1.000 44.29458 ? 133 VAL A CB  1 
ATOM   960  C  CG1 . VAL A 1 133 ? 1.14900  36.96600 0.56900   1.000 39.75813 ? 133 VAL A CG1 1 
ATOM   961  C  CG2 . VAL A 1 133 ? 2.94600  38.25900 -0.58200  1.000 47.30447 ? 133 VAL A CG2 1 
ATOM   962  N  N   . LYS A 1 134 ? 2.93000  36.18600 -3.69100  1.000 41.12794 ? 134 LYS A N   1 
ATOM   963  C  CA  . LYS A 1 134 ? 3.78700  36.39900 -4.85900  1.000 46.86099 ? 134 LYS A CA  1 
ATOM   964  C  C   . LYS A 1 134 ? 4.66800  37.64200 -4.73300  1.000 51.20532 ? 134 LYS A C   1 
ATOM   965  O  O   . LYS A 1 134 ? 5.74900  37.71300 -5.33600  1.000 53.78775 ? 134 LYS A O   1 
ATOM   966  C  CB  . LYS A 1 134 ? 2.93700  36.50500 -6.12800  1.000 51.67604 ? 134 LYS A CB  1 
ATOM   967  C  CG  . LYS A 1 134 ? 2.47200  35.16300 -6.69100  1.000 48.71550 ? 134 LYS A CG  1 
ATOM   968  C  CD  . LYS A 1 134 ? 0.97400  35.12700 -6.90300  1.000 51.10174 ? 134 LYS A CD  1 
ATOM   969  C  CE  . LYS A 1 134 ? 0.53600  33.78300 -7.48600  1.000 48.80893 ? 134 LYS A CE  1 
ATOM   970  N  NZ  . LYS A 1 134 ? 1.17700  33.47400 -8.80000  1.000 50.81285 ? 134 LYS A NZ  1 
HETATM 971  C  C10 . QG7 B 2 .   ? 17.23400 29.23300 -9.53300  1.000 22.58039 ? 201 QG7 A C10 1 
HETATM 972  C  C15 . QG7 B 2 .   ? 23.56800 28.91300 -16.21800 1.000 49.28274 ? 201 QG7 A C15 1 
HETATM 973  C  C17 . QG7 B 2 .   ? 24.58200 22.87100 -16.98500 1.000 36.06291 ? 201 QG7 A C17 1 
HETATM 974  C  C11 . QG7 B 2 .   ? 24.89200 24.91200 -15.88100 1.000 29.96967 ? 201 QG7 A C11 1 
HETATM 975  C  C12 . QG7 B 2 .   ? 24.44500 26.35700 -15.97900 1.000 39.07953 ? 201 QG7 A C12 1 
HETATM 976  C  C14 . QG7 B 2 .   ? 24.56600 28.59100 -15.26700 1.000 42.16119 ? 201 QG7 A C14 1 
HETATM 977  O  O2  . QG7 B 2 .   ? 14.10500 29.35200 -7.91700  1.000 23.74266 ? 201 QG7 A O2  1 
HETATM 978  C  C9  . QG7 B 2 .   ? 15.33300 29.35300 -8.24000  1.000 22.72445 ? 201 QG7 A C9  1 
HETATM 979  N  N1  . QG7 B 2 .   ? 16.34000 29.47400 -7.38000  1.000 19.99349 ? 201 QG7 A N1  1 
HETATM 980  N  N2  . QG7 B 2 .   ? 15.79400 29.20200 -9.48600  1.000 21.65225 ? 201 QG7 A N2  1 
HETATM 981  C  C8  . QG7 B 2 .   ? 17.64900 29.44000 -8.03800  1.000 18.59210 ? 201 QG7 A C8  1 
HETATM 982  C  C7  . QG7 B 2 .   ? 18.45800 28.23600 -7.57900  1.000 19.00012 ? 201 QG7 A C7  1 
HETATM 983  S  S1  . QG7 B 2 .   ? 17.82800 26.80400 -8.47900  1.000 20.11865 ? 201 QG7 A S1  1 
HETATM 984  C  C6  . QG7 B 2 .   ? 17.87500 27.87400 -9.94100  1.000 20.65329 ? 201 QG7 A C6  1 
HETATM 985  C  C5  . QG7 B 2 .   ? 17.26900 27.26300 -11.26800 1.000 22.47260 ? 201 QG7 A C5  1 
HETATM 986  C  C4  . QG7 B 2 .   ? 18.19200 26.18300 -11.90500 1.000 17.57950 ? 201 QG7 A C4  1 
HETATM 987  C  C3  . QG7 B 2 .   ? 17.55400 25.38500 -13.02300 1.000 23.39307 ? 201 QG7 A C3  1 
HETATM 988  C  C2  . QG7 B 2 .   ? 18.45100 24.30000 -13.59100 1.000 23.66765 ? 201 QG7 A C2  1 
HETATM 989  C  C1  . QG7 B 2 .   ? 19.66000 24.91600 -14.25200 1.000 22.97264 ? 201 QG7 A C1  1 
HETATM 990  C  C24 . QG7 B 2 .   ? 22.09900 24.73600 -14.85600 1.000 32.55291 ? 201 QG7 A C24 1 
HETATM 991  O  O1  . QG7 B 2 .   ? 19.61800 25.99800 -14.84200 1.000 25.86730 ? 201 QG7 A O1  1 
HETATM 992  N  N6  . QG7 B 2 .   ? 20.89900 24.20700 -14.21800 1.000 29.78391 ? 201 QG7 A N6  1 
HETATM 993  C  C23 . QG7 B 2 .   ? 22.88900 23.55200 -15.50400 1.000 33.15944 ? 201 QG7 A C23 1 
HETATM 994  N  N3  . QG7 B 2 .   ? 23.86900 24.03600 -16.45600 1.000 30.05823 ? 201 QG7 A N3  1 
HETATM 995  N  N4  . QG7 B 2 .   ? 23.49900 26.71300 -16.87900 1.000 36.70839 ? 201 QG7 A N4  1 
HETATM 996  C  C16 . QG7 B 2 .   ? 23.01300 27.91900 -17.05600 1.000 47.33265 ? 201 QG7 A C16 1 
HETATM 997  C  C13 . QG7 B 2 .   ? 25.03700 27.28400 -15.10500 1.000 37.12617 ? 201 QG7 A C13 1 
HETATM 998  N  N5  . QG7 B 2 .   ? 23.19800 23.37000 -18.91700 1.000 37.28619 ? 201 QG7 A N5  1 
HETATM 999  C  C18 . QG7 B 2 .   ? 23.75500 22.40700 -18.18200 1.000 39.76039 ? 201 QG7 A C18 1 
HETATM 1000 C  C22 . QG7 B 2 .   ? 22.45200 23.00800 -19.96400 1.000 47.69440 ? 201 QG7 A C22 1 
HETATM 1001 C  C21 . QG7 B 2 .   ? 22.24100 21.64800 -20.28900 1.000 44.63003 ? 201 QG7 A C21 1 
HETATM 1002 C  C20 . QG7 B 2 .   ? 22.80000 20.61600 -19.53300 1.000 43.04780 ? 201 QG7 A C20 1 
HETATM 1003 C  C19 . QG7 B 2 .   ? 23.58300 21.03300 -18.43500 1.000 43.35372 ? 201 QG7 A C19 1 
HETATM 1004 H  H1  . QG7 B 2 .   ? 17.55400 29.98700 -10.25100 1.000 27.09110 ? 201 QG7 A H1  1 
HETATM 1005 H  H2  . QG7 B 2 .   ? 23.22200 29.94300 -16.30600 1.000 59.13392 ? 201 QG7 A H2  1 
HETATM 1006 H  H3  . QG7 B 2 .   ? 25.58400 23.15600 -17.30700 1.000 43.27012 ? 201 QG7 A H3  1 
HETATM 1007 H  H4  . QG7 B 2 .   ? 24.63000 22.08400 -16.23200 1.000 43.27012 ? 201 QG7 A H4  1 
HETATM 1008 H  H5  . QG7 B 2 .   ? 25.82100 24.78800 -16.43800 1.000 35.95824 ? 201 QG7 A H5  1 
HETATM 1009 H  H6  . QG7 B 2 .   ? 25.03200 24.65400 -14.83000 1.000 35.95824 ? 201 QG7 A H6  1 
HETATM 1010 H  H7  . QG7 B 2 .   ? 24.97900 29.38400 -14.64400 1.000 50.58806 ? 201 QG7 A H7  1 
HETATM 1011 H  H8  . QG7 B 2 .   ? 16.21600 29.57900 -6.38300  1.000 23.98682 ? 201 QG7 A H8  1 
HETATM 1012 H  H9  . QG7 B 2 .   ? 15.20300 29.08200 -10.29600 1.000 25.97733 ? 201 QG7 A H9  1 
HETATM 1013 H  H10 . QG7 B 2 .   ? 18.26100 30.32000 -7.83800  1.000 22.30516 ? 201 QG7 A H10 1 
HETATM 1014 H  H11 . QG7 B 2 .   ? 19.51500 28.38600 -7.79900  1.000 22.79478 ? 201 QG7 A H11 1 
HETATM 1015 H  H12 . QG7 B 2 .   ? 18.34000 28.09000 -6.50500  1.000 22.79478 ? 201 QG7 A H12 1 
HETATM 1016 H  H13 . QG7 B 2 .   ? 18.91700 28.00600 -10.23300 1.000 24.77859 ? 201 QG7 A H13 1 
HETATM 1017 H  H14 . QG7 B 2 .   ? 16.32400 26.78400 -11.01100 1.000 26.96176 ? 201 QG7 A H14 1 
HETATM 1018 H  H15 . QG7 B 2 .   ? 17.16100 28.07500 -11.98800 1.000 26.96176 ? 201 QG7 A H15 1 
HETATM 1019 H  H16 . QG7 B 2 .   ? 18.45300 25.47800 -11.11600 1.000 21.09004 ? 201 QG7 A H16 1 
HETATM 1020 H  H17 . QG7 B 2 .   ? 19.04900 26.70400 -12.33200 1.000 21.09004 ? 201 QG7 A H17 1 
HETATM 1021 H  H18 . QG7 B 2 .   ? 17.31400 26.07600 -13.83100 1.000 28.06632 ? 201 QG7 A H18 1 
HETATM 1022 H  H19 . QG7 B 2 .   ? 16.66200 24.90300 -12.62100 1.000 28.06632 ? 201 QG7 A H19 1 
HETATM 1023 H  H20 . QG7 B 2 .   ? 18.77200 23.63500 -12.78900 1.000 28.39581 ? 201 QG7 A H20 1 
HETATM 1024 H  H21 . QG7 B 2 .   ? 17.89500 23.71400 -14.32300 1.000 28.39581 ? 201 QG7 A H21 1 
HETATM 1025 H  H22 . QG7 B 2 .   ? 22.72300 25.22900 -14.11000 1.000 39.05812 ? 201 QG7 A H22 1 
HETATM 1026 H  H23 . QG7 B 2 .   ? 21.81700 25.45400 -15.62600 1.000 39.05812 ? 201 QG7 A H23 1 
HETATM 1027 H  H24 . QG7 B 2 .   ? 20.94500 23.31800 -13.74100 1.000 35.73533 ? 201 QG7 A H24 1 
HETATM 1028 H  H25 . QG7 B 2 .   ? 23.40700 23.00500 -14.71700 1.000 39.78597 ? 201 QG7 A H25 1 
HETATM 1029 H  H26 . QG7 B 2 .   ? 22.18500 22.90500 -16.02500 1.000 39.78597 ? 201 QG7 A H26 1 
HETATM 1030 H  H28 . QG7 B 2 .   ? 22.24100 28.13700 -17.79400 1.000 56.79382 ? 201 QG7 A H28 1 
HETATM 1031 H  H29 . QG7 B 2 .   ? 25.79400 27.01100 -14.37000 1.000 44.54604 ? 201 QG7 A H29 1 
HETATM 1032 H  H30 . QG7 B 2 .   ? 21.99400 23.77900 -20.58200 1.000 57.22792 ? 201 QG7 A H30 1 
HETATM 1033 H  H31 . QG7 B 2 .   ? 21.62500 21.39900 -21.15300 1.000 53.55067 ? 201 QG7 A H31 1 
HETATM 1034 H  H32 . QG7 B 2 .   ? 22.64300 19.56400 -19.77300 1.000 51.65200 ? 201 QG7 A H32 1 
HETATM 1035 H  H33 . QG7 B 2 .   ? 24.05200 20.29300 -17.78600 1.000 52.01910 ? 201 QG7 A H33 1 
HETATM 1036 CU CU  . CU  C 3 .   ? 23.30600 25.23100 -18.12300 0.762 35.97683 ? 202 CU  A CU  1 
HETATM 1037 O  O   . HOH D 4 .   ? 6.57400  29.89000 -10.61700 1.000 31.86825 ? 301 HOH A O   1 
HETATM 1038 O  O   . HOH D 4 .   ? 2.62700  25.58300 12.39800  1.000 51.23521 ? 302 HOH A O   1 
HETATM 1039 O  O   . HOH D 4 .   ? 33.33700 15.42100 -12.32800 1.000 42.39866 ? 303 HOH A O   1 
HETATM 1040 O  O   . HOH D 4 .   ? 10.60400 24.90800 -13.81700 1.000 27.42834 ? 304 HOH A O   1 
HETATM 1041 O  O   . HOH D 4 .   ? 2.60600  20.50700 -7.71300  1.000 41.36554 ? 305 HOH A O   1 
HETATM 1042 O  O   . HOH D 4 .   ? 0.36800  24.01200 -2.42100  1.000 40.01394 ? 306 HOH A O   1 
HETATM 1043 O  O   . HOH D 4 .   ? 15.56600 20.94700 -16.43400 1.000 27.72572 ? 307 HOH A O   1 
HETATM 1044 O  O   . HOH D 4 .   ? 4.44900  27.55600 12.54300  1.000 48.18558 ? 308 HOH A O   1 
HETATM 1045 O  O   . HOH D 4 .   ? 0.817    30.906   -0.580    1.000 31.60699 ? 309 HOH A O   1 
HETATM 1046 O  O   . HOH D 4 .   ? 12.35700 16.16700 12.02700  1.000 28.50573 ? 310 HOH A O   1 
HETATM 1047 O  O   . HOH D 4 .   ? 29.288   20.777   -4.873    1.000 24.61302 ? 311 HOH A O   1 
HETATM 1048 O  O   . HOH D 4 .   ? 13.90500 16.14700 -8.73400  1.000 23.04695 ? 312 HOH A O   1 
HETATM 1049 O  O   . HOH D 4 .   ? 32.01700 18.93400 -7.84700  1.000 38.36324 ? 313 HOH A O   1 
HETATM 1050 O  O   . HOH D 4 .   ? 4.54600  35.46100 3.74400   1.000 30.76690 ? 314 HOH A O   1 
HETATM 1051 O  O   . HOH D 4 .   ? 8.58400  22.08900 19.23400  1.000 46.16228 ? 315 HOH A O   1 
HETATM 1052 O  O   . HOH D 4 .   ? 28.68400 25.46500 -12.89400 0.464 35.39920 ? 316 HOH A O   1 
HETATM 1053 O  O   . HOH D 4 .   ? 22.26400 14.91200 -22.38400 1.000 46.78998 ? 317 HOH A O   1 
HETATM 1054 O  O   . HOH D 4 .   ? 24.31100 33.23900 0.00000   0.50  42.79257 ? 318 HOH A O   1 
HETATM 1055 O  O   . HOH D 4 .   ? 12.34700 28.47500 -16.13500 1.000 45.02560 ? 319 HOH A O   1 
HETATM 1056 O  O   . HOH D 4 .   ? 14.87600 23.90400 13.96800  1.000 27.54646 ? 320 HOH A O   1 
HETATM 1057 O  O   . HOH D 4 .   ? 4.20700  25.04400 -9.85500  1.000 28.96807 ? 321 HOH A O   1 
HETATM 1058 O  O   . HOH D 4 .   ? 16.56800 16.56800 0.00000   0.50  19.95475 ? 322 HOH A O   1 
HETATM 1059 O  O   . HOH D 4 .   ? 0.89000  19.31000 6.76000   1.000 44.62419 ? 323 HOH A O   1 
HETATM 1060 O  O   . HOH D 4 .   ? 0.33200  30.35500 -7.79300  1.000 46.25451 ? 324 HOH A O   1 
HETATM 1061 O  O   . HOH D 4 .   ? 11.62900 11.96200 4.54800   1.000 41.41772 ? 325 HOH A O   1 
HETATM 1062 O  O   . HOH D 4 .   ? 10.26000 28.19700 14.48700  1.000 40.58605 ? 326 HOH A O   1 
HETATM 1063 O  O   . HOH D 4 .   ? 10.31200 36.47600 -1.96400  1.000 38.28157 ? 327 HOH A O   1 
HETATM 1064 O  O   . HOH D 4 .   ? 5.69800  15.23700 3.31300   1.000 34.23845 ? 328 HOH A O   1 
HETATM 1065 O  O   . HOH D 4 .   ? 17.88300 34.01600 1.70800   1.000 30.41905 ? 329 HOH A O   1 
HETATM 1066 O  O   . HOH D 4 .   ? 8.36000  22.23500 13.09000  1.000 36.53542 ? 330 HOH A O   1 
HETATM 1067 O  O   . HOH D 4 .   ? 26.10900 19.42300 -16.71500 1.000 37.99705 ? 331 HOH A O   1 
HETATM 1068 O  O   . HOH D 4 .   ? 36.52600 13.23800 -15.68000 1.000 41.44312 ? 332 HOH A O   1 
HETATM 1069 O  O   . HOH D 4 .   ? 34.293   24.022   -6.488    1.000 37.69881 ? 333 HOH A O   1 
HETATM 1070 O  O   . HOH D 4 .   ? 6.31400  15.33300 -6.05500  1.000 34.39509 ? 334 HOH A O   1 
HETATM 1071 O  O   . HOH D 4 .   ? 9.723    13.829   -23.434   1.000 45.24485 ? 335 HOH A O   1 
HETATM 1072 O  O   . HOH D 4 .   ? 2.71100  29.79800 -9.47100  1.000 44.96116 ? 336 HOH A O   1 
HETATM 1073 O  O   . HOH D 4 .   ? 1.10000  22.30200 12.55100  1.000 46.54118 ? 337 HOH A O   1 
HETATM 1074 O  O   . HOH D 4 .   ? 32.33000 25.48100 -8.44400  1.000 27.08331 ? 338 HOH A O   1 
HETATM 1075 O  O   . HOH D 4 .   ? 10.84300 29.22900 18.34100  1.000 41.87040 ? 339 HOH A O   1 
HETATM 1076 O  O   . HOH D 4 .   ? 38.67200 20.37700 -11.26600 1.000 29.66859 ? 340 HOH A O   1 
HETATM 1077 O  O   . HOH D 4 .   ? 18.79800 31.23900 5.52700   1.000 30.33408 ? 341 HOH A O   1 
HETATM 1078 O  O   . HOH D 4 .   ? 17.68900 36.01700 -0.26800  1.000 32.00948 ? 342 HOH A O   1 
HETATM 1079 O  O   . HOH D 4 .   ? 6.44400  18.53300 -15.03300 1.000 45.45723 ? 343 HOH A O   1 
HETATM 1080 O  O   . HOH D 4 .   ? 15.69800 33.69300 9.22200   1.000 37.54965 ? 344 HOH A O   1 
HETATM 1081 O  O   . HOH D 4 .   ? 2.25800  34.92800 5.72500   1.000 36.81546 ? 345 HOH A O   1 
HETATM 1082 O  O   . HOH D 4 .   ? 18.77300 33.31000 -6.50700  1.000 23.51096 ? 346 HOH A O   1 
HETATM 1083 O  O   . HOH D 4 .   ? 21.14100 34.21500 -5.17400  1.000 24.58561 ? 347 HOH A O   1 
HETATM 1084 O  O   . HOH D 4 .   ? 14.14900 28.30700 -21.11500 1.000 48.11105 ? 348 HOH A O   1 
HETATM 1085 O  O   . HOH D 4 .   ? 10.96300 15.70900 -11.57900 1.000 32.17607 ? 349 HOH A O   1 
HETATM 1086 O  O   . HOH D 4 .   ? 39.21300 23.69700 -16.01900 1.000 44.52184 ? 350 HOH A O   1 
HETATM 1087 O  O   . HOH D 4 .   ? 32.64800 19.60500 -17.95200 1.000 35.88766 ? 351 HOH A O   1 
HETATM 1088 O  O   . HOH D 4 .   ? 1.82700  13.42400 8.23100   1.000 49.03406 ? 352 HOH A O   1 
HETATM 1089 O  O   . HOH D 4 .   ? 10.69100 13.33300 2.33900   1.000 33.15654 ? 353 HOH A O   1 
HETATM 1090 O  O   . HOH D 4 .   ? 14.66200 25.59300 16.37100  1.000 36.08477 ? 354 HOH A O   1 
HETATM 1091 O  O   . HOH D 4 .   ? 13.99300 30.06300 -18.09700 1.000 42.50412 ? 355 HOH A O   1 
HETATM 1092 O  O   . HOH D 4 .   ? 17.99000 35.86400 -7.11500  1.000 31.61121 ? 356 HOH A O   1 
HETATM 1093 O  O   . HOH D 4 .   ? 14.41900 14.41600 11.15800  1.000 32.75156 ? 357 HOH A O   1 
HETATM 1094 O  O   . HOH D 4 .   ? 16.80600 32.30000 -17.17200 1.000 41.48249 ? 358 HOH A O   1 
HETATM 1095 O  O   . HOH D 4 .   ? 5.88200  23.83200 -8.19600  1.000 30.53044 ? 359 HOH A O   1 
HETATM 1096 O  O   . HOH D 4 .   ? 10.34000 9.81600  8.32600   1.000 48.66530 ? 360 HOH A O   1 
HETATM 1097 O  O   . HOH D 4 .   ? 24.26100 37.44800 -4.45900  1.000 38.42069 ? 361 HOH A O   1 
HETATM 1098 O  O   . HOH D 4 .   ? 13.74900 37.75800 5.23200   1.000 44.01945 ? 362 HOH A O   1 
HETATM 1099 O  O   . HOH D 4 .   ? 16.75600 12.83300 -19.60200 1.000 45.22465 ? 363 HOH A O   1 
HETATM 1100 O  O   . HOH D 4 .   ? 19.37100 16.67500 -13.71200 1.000 29.47519 ? 364 HOH A O   1 
HETATM 1101 O  O   . HOH D 4 .   ? 38.75200 15.40000 -17.05600 1.000 43.08984 ? 365 HOH A O   1 
HETATM 1102 O  O   . HOH D 4 .   ? 16.98200 36.47800 -2.31100  1.000 40.04291 ? 366 HOH A O   1 
HETATM 1103 O  O   . HOH D 4 .   ? 13.10600 25.39200 23.40300  1.000 53.67118 ? 367 HOH A O   1 
HETATM 1104 O  O   . HOH D 4 .   ? 10.98000 10.09100 10.70800  1.000 45.79630 ? 368 HOH A O   1 
HETATM 1105 O  O   . HOH D 4 .   ? 9.17900  29.85800 13.26000  1.000 48.28146 ? 369 HOH A O   1 
HETATM 1106 O  O   . HOH D 4 .   ? 8.45100  16.16000 -12.55200 1.000 40.78491 ? 370 HOH A O   1 
HETATM 1107 O  O   . HOH D 4 .   ? 12.070   20.730   21.352    1.000 52.97750 ? 371 HOH A O   1 
HETATM 1108 O  O   . HOH D 4 .   ? 23.15500 26.62200 -20.14500 1.000 47.22690 ? 372 HOH A O   1 
HETATM 1109 O  O   . HOH D 4 .   ? 26.562   16.824   -17.637   1.000 34.09676 ? 373 HOH A O   1 
HETATM 1110 O  O   . HOH D 4 .   ? 19.89700 36.72500 -4.91200  1.000 42.30681 ? 374 HOH A O   1 
HETATM 1111 O  O   . HOH D 4 .   ? 12.70200 11.32000 12.25300  1.000 41.25205 ? 375 HOH A O   1 
HETATM 1112 O  O   . HOH D 4 .   ? 14.20100 32.71300 -17.81400 1.000 53.02897 ? 376 HOH A O   1 
HETATM 1113 O  O   . HOH D 4 .   ? 7.47500  37.94200 4.07500   1.000 45.89302 ? 377 HOH A O   1 
HETATM 1114 O  O   . HOH D 4 .   ? 10.340   12.732   -14.822   1.000 46.75143 ? 378 HOH A O   1 
HETATM 1115 O  O   . HOH D 4 .   ? 14.38750 15.74200 -22.21625 0.50  43.14526 ? 379 HOH A O   1 
HETATM 1116 O  O   . HOH D 4 .   ? 17.23100 38.71400 1.80200   1.000 43.07692 ? 380 HOH A O   1 
HETATM 1117 O  O   . HOH D 4 .   ? 3.00200  11.94600 7.39700   1.000 44.48588 ? 381 HOH A O   1 
HETATM 1118 O  O   . HOH D 4 .   ? 38.83000 19.73300 -9.11100  1.000 42.30190 ? 382 HOH A O   1 
HETATM 1119 O  O   . HOH D 4 .   ? 2.07700  27.95000 -10.57600 1.000 52.34073 ? 383 HOH A O   1 
HETATM 1120 O  O   . HOH D 4 .   ? -1.730   31.335   -9.455    1.000 43.31675 ? 384 HOH A O   1 
HETATM 1121 O  O   . HOH D 4 .   ? 10.26600 32.02100 13.93500  1.000 49.48210 ? 385 HOH A O   1 
HETATM 1122 O  O   . HOH D 4 .   ? 6.48800  16.94800 -10.98700 1.000 42.67889 ? 386 HOH A O   1 
HETATM 1123 O  O   . HOH D 4 .   ? 10.38300 38.55900 3.40600   1.000 50.99766 ? 387 HOH A O   1 
HETATM 1124 O  O   . HOH D 4 .   ? 3.54600  14.27100 3.98900   1.000 49.65028 ? 388 HOH A O   1 
HETATM 1125 O  O   . HOH D 4 .   ? 1.37800  14.63700 5.79900   1.000 50.63657 ? 389 HOH A O   1 
HETATM 1126 O  O   . HOH D 4 .   ? 15.26200 14.47300 -20.82400 1.000 47.24400 ? 390 HOH A O   1 
HETATM 1127 O  O   . HOH D 4 .   ? 9.26100  38.78900 -10.13100 1.000 46.01204 ? 391 HOH A O   1 
HETATM 1128 O  O   . HOH D 4 .   ? 11.11600 7.79000  6.94200   1.000 36.57506 ? 392 HOH A O   1 
HETATM 1129 O  O   . HOH D 4 .   ? 5.43100  15.47100 -8.96400  1.000 46.65215 ? 393 HOH A O   1 
HETATM 1130 O  O   . HOH D 4 .   ? 10.586   16.142   20.896    1.000 49.86796 ? 394 HOH A O   1 
HETATM 1131 O  O   . HOH D 4 .   ? 16.05300 9.31000  -22.99700 1.000 46.33372 ? 395 HOH A O   1 
HETATM 1132 O  O   . HOH D 4 .   ? 16.35000 6.68800  -23.14000 1.000 46.52118 ? 396 HOH A O   1 
# 
