data_8PUP
# 
_entry.id   8PUP 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.402 
_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   8PUP         pdb_00008pup 10.2210/pdb8pup/pdb 
WWPDB D_1292131599 ?            ?                   
# 
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 2024-12-04 
2 'Structure model' 1 1 2025-02-12 
# 
_pdbx_audit_revision_details.ordinal             1 
_pdbx_audit_revision_details.revision_ordinal    1 
_pdbx_audit_revision_details.data_content_type   'Structure model' 
_pdbx_audit_revision_details.provider            repository 
_pdbx_audit_revision_details.type                'Initial release' 
_pdbx_audit_revision_details.description         ? 
_pdbx_audit_revision_details.details             ? 
# 
_pdbx_audit_revision_group.ordinal             1 
_pdbx_audit_revision_group.revision_ordinal    2 
_pdbx_audit_revision_group.data_content_type   'Structure model' 
_pdbx_audit_revision_group.group               'Database references' 
# 
_pdbx_audit_revision_category.ordinal             1 
_pdbx_audit_revision_category.revision_ordinal    2 
_pdbx_audit_revision_category.data_content_type   'Structure model' 
_pdbx_audit_revision_category.category            citation 
# 
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_volume' 
2 2 'Structure model' '_citation.year'           
# 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.entry_id                        8PUP 
_pdbx_database_status.recvd_initial_deposition_date   2023-07-17 
_pdbx_database_status.SG_entry                        N 
_pdbx_database_status.deposit_site                    PDBE 
_pdbx_database_status.process_site                    PDBE 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.status_code_nmr_data            ? 
_pdbx_database_status.methods_development_category    ? 
_pdbx_database_status.pdb_format_compatible           Y 
# 
_pdbx_contact_author.id                 3 
_pdbx_contact_author.email              milan.kozisek@uochb.cas.cz 
_pdbx_contact_author.name_first         Milan 
_pdbx_contact_author.name_last          Kozisek 
_pdbx_contact_author.name_mi            ? 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0002-9476-3409 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Kotacka, T.'  1 0009-0005-1681-5348 
'Radilova, K.' 2 0000-0001-8917-2359 
# 
_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                   DE 
_citation.database_id_Medline       ? 
_citation.details                   ? 
_citation.id                        primary 
_citation.journal_abbrev            Chemmedchem 
_citation.journal_id_ASTM           ? 
_citation.journal_id_CSD            ? 
_citation.journal_id_ISSN           1860-7187 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            20 
_citation.language                  ? 
_citation.page_first                e202400577 
_citation.page_last                 e202400577 
_citation.title                     
;3'-Dehydroxypurpurogallin-4-Carboxamides as Influenza A Endonuclease Inhibitors: Synthesis, Structure-Activity Relationship Analysis, and Structural Characterization of Protein Complex.
;
_citation.year                      2025 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      10.1002/cmdc.202400577 
_citation.pdbx_database_id_PubMed   39400442 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Kral, M.'       1  0000-0003-0334-9569 
primary 'Kotacka, T.'    2  0009-0005-1681-5348 
primary 'Reiberger, R.'  3  0000-0001-7878-9310 
primary 'Panyrkova, G.'  4  0009-0000-8559-2284 
primary 'Radilova, K.'   5  0000-0001-8917-2359 
primary 'Osifova, Z.'    6  0000-0002-7165-6838 
primary 'Flieger, M.'    7  ?                   
primary 'Konvalinka, J.' 8  0000-0003-0695-9266 
primary 'Majer, P.'      9  0000-0002-1804-6934 
primary 'Kozisek, M.'    10 0000-0002-9476-3409 
primary 'Machara, A.'    11 0000-0002-1139-2762 
# 
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 'Polymerase acidic protein'                                                                          21640.570 1 
3.1.-.- ? ? ? 
2 non-polymer syn 'MANGANESE (II) ION'                                                                                 54.938    1 
?       ? ? ? 
3 non-polymer syn 'MAGNESIUM ION'                                                                                      24.305    1 
?       ? ? ? 
4 non-polymer syn 1,2-ETHANEDIOL                                                                                       62.068    5 
?       ? ? ? 
5 non-polymer syn '~{N}-[(4-hydroxyphenyl)methyl]-3,4,6-tris(oxidanyl)-5-oxidanylidene-benzo[7]annulene-8-carboxamide' 353.326   1 
?       ? ? ? 
6 water       nat water                                                                                                18.015    
68 ?       ? ? ? 
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        'RNA-directed RNA polymerase subunit P2' 
# 
_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       
;SGSGSGSGSMEDFVRQCFNPMIVELAEKAMKEYGEDPKIETNKFAAICTHLEVCFMYSDGGSKHRFEIIEGRDRIMAWTV
VNSICNTTGVEKPKFLPDLYDYKENRFIEIGVTRREVHIYYLEKANKIKSEKTHIHIFSFTGEEMATKADYTLDEESRAR
IKTRLFTIRQEMASRSLWDSFRQSER
;
_entity_poly.pdbx_seq_one_letter_code_can   
;SGSGSGSGSMEDFVRQCFNPMIVELAEKAMKEYGEDPKIETNKFAAICTHLEVCFMYSDGGSKHRFEIIEGRDRIMAWTV
VNSICNTTGVEKPKFLPDLYDYKENRFIEIGVTRREVHIYYLEKANKIKSEKTHIHIFSFTGEEMATKADYTLDEESRAR
IKTRLFTIRQEMASRSLWDSFRQSER
;
_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 'MANGANESE (II) ION'                                                                                 MN  
3 'MAGNESIUM ION'                                                                                      MG  
4 1,2-ETHANEDIOL                                                                                       EDO 
5 '~{N}-[(4-hydroxyphenyl)methyl]-3,4,6-tris(oxidanyl)-5-oxidanylidene-benzo[7]annulene-8-carboxamide' H2I 
6 water                                                                                                HOH 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   SER n 
1 2   GLY n 
1 3   SER n 
1 4   GLY n 
1 5   SER n 
1 6   GLY n 
1 7   SER n 
1 8   GLY n 
1 9   SER n 
1 10  MET n 
1 11  GLU n 
1 12  ASP n 
1 13  PHE n 
1 14  VAL n 
1 15  ARG n 
1 16  GLN n 
1 17  CYS n 
1 18  PHE n 
1 19  ASN n 
1 20  PRO n 
1 21  MET n 
1 22  ILE n 
1 23  VAL n 
1 24  GLU n 
1 25  LEU n 
1 26  ALA n 
1 27  GLU n 
1 28  LYS n 
1 29  ALA n 
1 30  MET n 
1 31  LYS n 
1 32  GLU n 
1 33  TYR n 
1 34  GLY n 
1 35  GLU n 
1 36  ASP n 
1 37  PRO n 
1 38  LYS n 
1 39  ILE n 
1 40  GLU n 
1 41  THR n 
1 42  ASN n 
1 43  LYS n 
1 44  PHE n 
1 45  ALA n 
1 46  ALA n 
1 47  ILE n 
1 48  CYS n 
1 49  THR n 
1 50  HIS n 
1 51  LEU n 
1 52  GLU n 
1 53  VAL n 
1 54  CYS n 
1 55  PHE n 
1 56  MET n 
1 57  TYR n 
1 58  SER n 
1 59  ASP n 
1 60  GLY n 
1 61  GLY n 
1 62  SER n 
1 63  LYS n 
1 64  HIS n 
1 65  ARG n 
1 66  PHE n 
1 67  GLU n 
1 68  ILE n 
1 69  ILE n 
1 70  GLU n 
1 71  GLY n 
1 72  ARG n 
1 73  ASP n 
1 74  ARG n 
1 75  ILE n 
1 76  MET n 
1 77  ALA n 
1 78  TRP n 
1 79  THR n 
1 80  VAL n 
1 81  VAL n 
1 82  ASN n 
1 83  SER n 
1 84  ILE n 
1 85  CYS n 
1 86  ASN n 
1 87  THR n 
1 88  THR n 
1 89  GLY n 
1 90  VAL n 
1 91  GLU n 
1 92  LYS n 
1 93  PRO n 
1 94  LYS n 
1 95  PHE n 
1 96  LEU n 
1 97  PRO n 
1 98  ASP n 
1 99  LEU n 
1 100 TYR n 
1 101 ASP n 
1 102 TYR n 
1 103 LYS n 
1 104 GLU n 
1 105 ASN n 
1 106 ARG n 
1 107 PHE n 
1 108 ILE n 
1 109 GLU n 
1 110 ILE n 
1 111 GLY n 
1 112 VAL n 
1 113 THR n 
1 114 ARG n 
1 115 ARG n 
1 116 GLU n 
1 117 VAL n 
1 118 HIS n 
1 119 ILE n 
1 120 TYR n 
1 121 TYR n 
1 122 LEU n 
1 123 GLU n 
1 124 LYS n 
1 125 ALA n 
1 126 ASN n 
1 127 LYS n 
1 128 ILE n 
1 129 LYS n 
1 130 SER n 
1 131 GLU n 
1 132 LYS n 
1 133 THR n 
1 134 HIS n 
1 135 ILE n 
1 136 HIS n 
1 137 ILE n 
1 138 PHE n 
1 139 SER n 
1 140 PHE n 
1 141 THR n 
1 142 GLY n 
1 143 GLU n 
1 144 GLU n 
1 145 MET n 
1 146 ALA n 
1 147 THR n 
1 148 LYS n 
1 149 ALA n 
1 150 ASP n 
1 151 TYR n 
1 152 THR n 
1 153 LEU n 
1 154 ASP n 
1 155 GLU n 
1 156 GLU n 
1 157 SER n 
1 158 ARG n 
1 159 ALA n 
1 160 ARG n 
1 161 ILE n 
1 162 LYS n 
1 163 THR n 
1 164 ARG n 
1 165 LEU n 
1 166 PHE n 
1 167 THR n 
1 168 ILE n 
1 169 ARG n 
1 170 GLN n 
1 171 GLU n 
1 172 MET n 
1 173 ALA n 
1 174 SER n 
1 175 ARG n 
1 176 SER n 
1 177 LEU n 
1 178 TRP n 
1 179 ASP n 
1 180 SER n 
1 181 PHE n 
1 182 ARG n 
1 183 GLN n 
1 184 SER n 
1 185 GLU n 
1 186 ARG n 
# 
loop_
_entity_src_gen.entity_id 
_entity_src_gen.pdbx_src_id 
_entity_src_gen.pdbx_alt_source_flag 
_entity_src_gen.pdbx_seq_type 
_entity_src_gen.pdbx_beg_seq_num 
_entity_src_gen.pdbx_end_seq_num 
_entity_src_gen.gene_src_common_name 
_entity_src_gen.gene_src_genus 
_entity_src_gen.pdbx_gene_src_gene 
_entity_src_gen.gene_src_species 
_entity_src_gen.gene_src_strain 
_entity_src_gen.gene_src_tissue 
_entity_src_gen.gene_src_tissue_fraction 
_entity_src_gen.gene_src_details 
_entity_src_gen.pdbx_gene_src_fragment 
_entity_src_gen.pdbx_gene_src_scientific_name 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 
_entity_src_gen.pdbx_gene_src_variant 
_entity_src_gen.pdbx_gene_src_cell_line 
_entity_src_gen.pdbx_gene_src_atcc 
_entity_src_gen.pdbx_gene_src_organ 
_entity_src_gen.pdbx_gene_src_organelle 
_entity_src_gen.pdbx_gene_src_cell 
_entity_src_gen.pdbx_gene_src_cellular_location 
_entity_src_gen.host_org_common_name 
_entity_src_gen.pdbx_host_org_scientific_name 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 
_entity_src_gen.host_org_genus 
_entity_src_gen.pdbx_host_org_gene 
_entity_src_gen.pdbx_host_org_organ 
_entity_src_gen.host_org_species 
_entity_src_gen.pdbx_host_org_tissue 
_entity_src_gen.pdbx_host_org_tissue_fraction 
_entity_src_gen.pdbx_host_org_strain 
_entity_src_gen.pdbx_host_org_variant 
_entity_src_gen.pdbx_host_org_cell_line 
_entity_src_gen.pdbx_host_org_atcc 
_entity_src_gen.pdbx_host_org_culture_collection 
_entity_src_gen.pdbx_host_org_cell 
_entity_src_gen.pdbx_host_org_organelle 
_entity_src_gen.pdbx_host_org_cellular_location 
_entity_src_gen.pdbx_host_org_vector_type 
_entity_src_gen.pdbx_host_org_vector 
_entity_src_gen.host_org_details 
_entity_src_gen.expression_system_id 
_entity_src_gen.plasmid_name 
_entity_src_gen.plasmid_details 
_entity_src_gen.pdbx_description 
1 1 sample 'Biological sequence' 1  59  ? ? PA ? ? ? ? ? ? 'Influenza A virus (A/California/07/2009(H1N1))' 641809 ? ? ? ? ? ? ? ? 
'Escherichia coli BL21(DE3)' 469008 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 
1 2 sample 'Biological sequence' 60 186 ? ? PA ? ? ? ? ? ? 'Influenza A virus (A/California/07/2009(H1N1))' 641809 ? ? ? ? ? ? ? ? 
'Escherichia coli BL21(DE3)' 469008 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 
# 
loop_
_chem_comp.id 
_chem_comp.type 
_chem_comp.mon_nstd_flag 
_chem_comp.name 
_chem_comp.pdbx_synonyms 
_chem_comp.formula 
_chem_comp.formula_weight 
ALA 'L-peptide linking' y ALANINE                                                                                              ? 
'C3 H7 N O2'     89.093  
ARG 'L-peptide linking' y ARGININE                                                                                             ? 
'C6 H15 N4 O2 1' 175.209 
ASN 'L-peptide linking' y ASPARAGINE                                                                                           ? 
'C4 H8 N2 O3'    132.118 
ASP 'L-peptide linking' y 'ASPARTIC ACID'                                                                                      ? 
'C4 H7 N O4'     133.103 
CYS 'L-peptide linking' y CYSTEINE                                                                                             ? 
'C3 H7 N O2 S'   121.158 
EDO non-polymer         . 1,2-ETHANEDIOL                                                                                       
'ETHYLENE GLYCOL' 'C2 H6 O2'       62.068  
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  
H2I non-polymer         . '~{N}-[(4-hydroxyphenyl)methyl]-3,4,6-tris(oxidanyl)-5-oxidanylidene-benzo[7]annulene-8-carboxamide' ? 
'C19 H15 N O6'   353.326 
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 
MG  non-polymer         . 'MAGNESIUM ION'                                                                                      ? 
'Mg 2'           24.305  
MN  non-polymer         . 'MANGANESE (II) ION'                                                                                 ? 
'Mn 2'           54.938  
PHE 'L-peptide linking' y PHENYLALANINE                                                                                        ? 
'C9 H11 N O2'    165.189 
PRO 'L-peptide linking' y PROLINE                                                                                              ? 
'C5 H9 N O2'     115.130 
SER 'L-peptide linking' y SERINE                                                                                               ? 
'C3 H7 N O3'     105.093 
THR 'L-peptide linking' y THREONINE                                                                                            ? 
'C4 H9 N O3'     119.119 
TRP 'L-peptide linking' y TRYPTOPHAN                                                                                           ? 
'C11 H12 N2 O2'  204.225 
TYR 'L-peptide linking' y TYROSINE                                                                                             ? 
'C9 H11 N O3'    181.189 
VAL 'L-peptide linking' y VALINE                                                                                               ? 
'C5 H11 N O2'    117.146 
# 
loop_
_pdbx_poly_seq_scheme.asym_id 
_pdbx_poly_seq_scheme.entity_id 
_pdbx_poly_seq_scheme.seq_id 
_pdbx_poly_seq_scheme.mon_id 
_pdbx_poly_seq_scheme.ndb_seq_num 
_pdbx_poly_seq_scheme.pdb_seq_num 
_pdbx_poly_seq_scheme.auth_seq_num 
_pdbx_poly_seq_scheme.pdb_mon_id 
_pdbx_poly_seq_scheme.auth_mon_id 
_pdbx_poly_seq_scheme.pdb_strand_id 
_pdbx_poly_seq_scheme.pdb_ins_code 
_pdbx_poly_seq_scheme.hetero 
A 1 1   SER 1   -8  ?   ?   ?   A . n 
A 1 2   GLY 2   -7  ?   ?   ?   A . n 
A 1 3   SER 3   -6  ?   ?   ?   A . n 
A 1 4   GLY 4   -5  ?   ?   ?   A . n 
A 1 5   SER 5   -4  -4  SER SER A . n 
A 1 6   GLY 6   -3  -3  GLY GLY A . n 
A 1 7   SER 7   -2  -2  SER SER A . n 
A 1 8   GLY 8   -1  -1  GLY GLY A . n 
A 1 9   SER 9   0   0   SER SER A . n 
A 1 10  MET 10  1   1   MET MET A . n 
A 1 11  GLU 11  2   2   GLU GLU A . n 
A 1 12  ASP 12  3   3   ASP ASP A . n 
A 1 13  PHE 13  4   4   PHE PHE A . n 
A 1 14  VAL 14  5   5   VAL VAL A . n 
A 1 15  ARG 15  6   6   ARG ARG A . n 
A 1 16  GLN 16  7   7   GLN GLN A . n 
A 1 17  CYS 17  8   8   CYS CYS A . n 
A 1 18  PHE 18  9   9   PHE PHE A . n 
A 1 19  ASN 19  10  10  ASN ASN A . n 
A 1 20  PRO 20  11  11  PRO PRO A . n 
A 1 21  MET 21  12  12  MET MET A . n 
A 1 22  ILE 22  13  13  ILE ILE A . n 
A 1 23  VAL 23  14  14  VAL VAL A . n 
A 1 24  GLU 24  15  15  GLU GLU A . n 
A 1 25  LEU 25  16  16  LEU LEU A . n 
A 1 26  ALA 26  17  17  ALA ALA A . n 
A 1 27  GLU 27  18  18  GLU GLU A . n 
A 1 28  LYS 28  19  19  LYS LYS A . n 
A 1 29  ALA 29  20  20  ALA ALA A . n 
A 1 30  MET 30  21  21  MET MET A . n 
A 1 31  LYS 31  22  22  LYS LYS A . n 
A 1 32  GLU 32  23  23  GLU GLU A . n 
A 1 33  TYR 33  24  24  TYR TYR A . n 
A 1 34  GLY 34  25  25  GLY GLY A . n 
A 1 35  GLU 35  26  26  GLU GLU A . n 
A 1 36  ASP 36  27  27  ASP ASP A . n 
A 1 37  PRO 37  28  28  PRO PRO A . n 
A 1 38  LYS 38  29  29  LYS LYS A . n 
A 1 39  ILE 39  30  30  ILE ILE A . n 
A 1 40  GLU 40  31  31  GLU GLU A . n 
A 1 41  THR 41  32  32  THR THR A . n 
A 1 42  ASN 42  33  33  ASN ASN A . n 
A 1 43  LYS 43  34  34  LYS LYS A . n 
A 1 44  PHE 44  35  35  PHE PHE A . n 
A 1 45  ALA 45  36  36  ALA ALA A . n 
A 1 46  ALA 46  37  37  ALA ALA A . n 
A 1 47  ILE 47  38  38  ILE ILE A . n 
A 1 48  CYS 48  39  39  CYS CYS A . n 
A 1 49  THR 49  40  40  THR THR A . n 
A 1 50  HIS 50  41  41  HIS HIS A . n 
A 1 51  LEU 51  42  42  LEU LEU A . n 
A 1 52  GLU 52  43  43  GLU GLU A . n 
A 1 53  VAL 53  44  44  VAL VAL A . n 
A 1 54  CYS 54  45  45  CYS CYS A . n 
A 1 55  PHE 55  46  46  PHE PHE A . n 
A 1 56  MET 56  47  47  MET MET A . n 
A 1 57  TYR 57  48  48  TYR TYR A . n 
A 1 58  SER 58  49  49  SER SER A . n 
A 1 59  ASP 59  50  50  ASP ASP A . n 
A 1 60  GLY 60  51  51  GLY GLY A . n 
A 1 61  GLY 61  52  52  GLY GLY A . n 
A 1 62  SER 62  72  72  SER SER A . n 
A 1 63  LYS 63  73  73  LYS LYS A . n 
A 1 64  HIS 64  74  74  HIS HIS A . n 
A 1 65  ARG 65  75  75  ARG ARG A . n 
A 1 66  PHE 66  76  76  PHE PHE A . n 
A 1 67  GLU 67  77  77  GLU GLU A . n 
A 1 68  ILE 68  78  78  ILE ILE A . n 
A 1 69  ILE 69  79  79  ILE ILE A . n 
A 1 70  GLU 70  80  80  GLU GLU A . n 
A 1 71  GLY 71  81  81  GLY GLY A . n 
A 1 72  ARG 72  82  82  ARG ARG A . n 
A 1 73  ASP 73  83  83  ASP ASP A . n 
A 1 74  ARG 74  84  84  ARG ARG A . n 
A 1 75  ILE 75  85  85  ILE ILE A . n 
A 1 76  MET 76  86  86  MET MET A . n 
A 1 77  ALA 77  87  87  ALA ALA A . n 
A 1 78  TRP 78  88  88  TRP TRP A . n 
A 1 79  THR 79  89  89  THR THR A . n 
A 1 80  VAL 80  90  90  VAL VAL A . n 
A 1 81  VAL 81  91  91  VAL VAL A . n 
A 1 82  ASN 82  92  92  ASN ASN A . n 
A 1 83  SER 83  93  93  SER SER A . n 
A 1 84  ILE 84  94  94  ILE ILE A . n 
A 1 85  CYS 85  95  95  CYS CYS A . n 
A 1 86  ASN 86  96  96  ASN ASN A . n 
A 1 87  THR 87  97  97  THR THR A . n 
A 1 88  THR 88  98  98  THR THR A . n 
A 1 89  GLY 89  99  99  GLY GLY A . n 
A 1 90  VAL 90  100 100 VAL VAL A . n 
A 1 91  GLU 91  101 101 GLU GLU A . n 
A 1 92  LYS 92  102 102 LYS LYS A . n 
A 1 93  PRO 93  103 103 PRO PRO A . n 
A 1 94  LYS 94  104 104 LYS LYS A . n 
A 1 95  PHE 95  105 105 PHE PHE A . n 
A 1 96  LEU 96  106 106 LEU LEU A . n 
A 1 97  PRO 97  107 107 PRO PRO A . n 
A 1 98  ASP 98  108 108 ASP ASP A . n 
A 1 99  LEU 99  109 109 LEU LEU A . n 
A 1 100 TYR 100 110 110 TYR TYR A . n 
A 1 101 ASP 101 111 111 ASP ASP A . n 
A 1 102 TYR 102 112 112 TYR TYR A . n 
A 1 103 LYS 103 113 113 LYS LYS A . n 
A 1 104 GLU 104 114 114 GLU GLU A . n 
A 1 105 ASN 105 115 115 ASN ASN A . n 
A 1 106 ARG 106 116 116 ARG ARG A . n 
A 1 107 PHE 107 117 117 PHE PHE A . n 
A 1 108 ILE 108 118 118 ILE ILE A . n 
A 1 109 GLU 109 119 119 GLU GLU A . n 
A 1 110 ILE 110 120 120 ILE ILE A . n 
A 1 111 GLY 111 121 121 GLY GLY A . n 
A 1 112 VAL 112 122 122 VAL VAL A . n 
A 1 113 THR 113 123 123 THR THR A . n 
A 1 114 ARG 114 124 124 ARG ARG A . n 
A 1 115 ARG 115 125 125 ARG ARG A . n 
A 1 116 GLU 116 126 126 GLU GLU A . n 
A 1 117 VAL 117 127 127 VAL VAL A . n 
A 1 118 HIS 118 128 128 HIS HIS A . n 
A 1 119 ILE 119 129 129 ILE ILE A . n 
A 1 120 TYR 120 130 130 TYR TYR A . n 
A 1 121 TYR 121 131 131 TYR TYR A . n 
A 1 122 LEU 122 132 132 LEU LEU A . n 
A 1 123 GLU 123 133 133 GLU GLU A . n 
A 1 124 LYS 124 134 134 LYS LYS A . n 
A 1 125 ALA 125 135 135 ALA ALA A . n 
A 1 126 ASN 126 136 136 ASN ASN A . n 
A 1 127 LYS 127 137 137 LYS LYS A . n 
A 1 128 ILE 128 138 138 ILE ILE A . n 
A 1 129 LYS 129 139 139 LYS LYS A . n 
A 1 130 SER 130 140 140 SER SER A . n 
A 1 131 GLU 131 141 141 GLU GLU A . n 
A 1 132 LYS 132 142 142 LYS LYS A . n 
A 1 133 THR 133 143 143 THR THR A . n 
A 1 134 HIS 134 144 144 HIS HIS A . n 
A 1 135 ILE 135 145 145 ILE ILE A . n 
A 1 136 HIS 136 146 146 HIS HIS A . n 
A 1 137 ILE 137 147 147 ILE ILE A . n 
A 1 138 PHE 138 148 148 PHE PHE A . n 
A 1 139 SER 139 149 149 SER SER A . n 
A 1 140 PHE 140 150 150 PHE PHE A . n 
A 1 141 THR 141 151 151 THR THR A . n 
A 1 142 GLY 142 152 152 GLY GLY A . n 
A 1 143 GLU 143 153 153 GLU GLU A . n 
A 1 144 GLU 144 154 154 GLU GLU A . n 
A 1 145 MET 145 155 155 MET MET A . n 
A 1 146 ALA 146 156 156 ALA ALA A . n 
A 1 147 THR 147 157 157 THR THR A . n 
A 1 148 LYS 148 158 158 LYS LYS A . n 
A 1 149 ALA 149 159 159 ALA ALA A . n 
A 1 150 ASP 150 160 160 ASP ASP A . n 
A 1 151 TYR 151 161 161 TYR TYR A . n 
A 1 152 THR 152 162 162 THR THR A . n 
A 1 153 LEU 153 163 163 LEU LEU A . n 
A 1 154 ASP 154 164 164 ASP ASP A . n 
A 1 155 GLU 155 165 165 GLU GLU A . n 
A 1 156 GLU 156 166 166 GLU GLU A . n 
A 1 157 SER 157 167 167 SER SER A . n 
A 1 158 ARG 158 168 168 ARG ARG A . n 
A 1 159 ALA 159 169 169 ALA ALA A . n 
A 1 160 ARG 160 170 170 ARG ARG A . n 
A 1 161 ILE 161 171 171 ILE ILE A . n 
A 1 162 LYS 162 172 172 LYS LYS A . n 
A 1 163 THR 163 173 173 THR THR A . n 
A 1 164 ARG 164 174 174 ARG ARG A . n 
A 1 165 LEU 165 175 175 LEU LEU A . n 
A 1 166 PHE 166 176 176 PHE PHE A . n 
A 1 167 THR 167 177 177 THR THR A . n 
A 1 168 ILE 168 178 178 ILE ILE A . n 
A 1 169 ARG 169 179 179 ARG ARG A . n 
A 1 170 GLN 170 180 180 GLN GLN A . n 
A 1 171 GLU 171 181 181 GLU GLU A . n 
A 1 172 MET 172 182 182 MET MET A . n 
A 1 173 ALA 173 183 183 ALA ALA A . n 
A 1 174 SER 174 184 184 SER SER A . n 
A 1 175 ARG 175 185 185 ARG ARG A . n 
A 1 176 SER 176 186 186 SER SER A . n 
A 1 177 LEU 177 187 187 LEU LEU A . n 
A 1 178 TRP 178 188 188 TRP TRP A . n 
A 1 179 ASP 179 189 189 ASP ASP A . n 
A 1 180 SER 180 190 190 SER SER A . n 
A 1 181 PHE 181 191 191 PHE PHE A . n 
A 1 182 ARG 182 192 192 ARG ARG A . n 
A 1 183 GLN 183 193 193 GLN GLN A . n 
A 1 184 SER 184 194 194 SER SER A . n 
A 1 185 GLU 185 195 195 GLU GLU A . n 
A 1 186 ARG 186 196 196 ARG ARG A . n 
# 
_pdbx_entity_instance_feature.ordinal        1 
_pdbx_entity_instance_feature.comp_id        H2I 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   H2I 
_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 MN  1  201 1  MN  MN  A . 
C 3 MG  1  202 2  MG  MG  A . 
D 4 EDO 1  203 1  EDO EDO A . 
E 4 EDO 1  204 2  EDO EDO A . 
F 4 EDO 1  205 3  EDO EDO A . 
G 4 EDO 1  206 4  EDO EDO A . 
H 4 EDO 1  207 5  EDO EDO A . 
I 5 H2I 1  208 1  H2I LIG A . 
J 6 HOH 1  301 62 HOH HOH A . 
J 6 HOH 2  302 63 HOH HOH A . 
J 6 HOH 3  303 23 HOH HOH A . 
J 6 HOH 4  304 15 HOH HOH A . 
J 6 HOH 5  305 71 HOH HOH A . 
J 6 HOH 6  306 35 HOH HOH A . 
J 6 HOH 7  307 14 HOH HOH A . 
J 6 HOH 8  308 61 HOH HOH A . 
J 6 HOH 9  309 2  HOH HOH A . 
J 6 HOH 10 310 38 HOH HOH A . 
J 6 HOH 11 311 30 HOH HOH A . 
J 6 HOH 12 312 16 HOH HOH A . 
J 6 HOH 13 313 49 HOH HOH A . 
J 6 HOH 14 314 46 HOH HOH A . 
J 6 HOH 15 315 53 HOH HOH A . 
J 6 HOH 16 316 13 HOH HOH A . 
J 6 HOH 17 317 3  HOH HOH A . 
J 6 HOH 18 318 22 HOH HOH A . 
J 6 HOH 19 319 1  HOH HOH A . 
J 6 HOH 20 320 52 HOH HOH A . 
J 6 HOH 21 321 45 HOH HOH A . 
J 6 HOH 22 322 67 HOH HOH A . 
J 6 HOH 23 323 40 HOH HOH A . 
J 6 HOH 24 324 19 HOH HOH A . 
J 6 HOH 25 325 43 HOH HOH A . 
J 6 HOH 26 326 51 HOH HOH A . 
J 6 HOH 27 327 8  HOH HOH A . 
J 6 HOH 28 328 17 HOH HOH A . 
J 6 HOH 29 329 10 HOH HOH A . 
J 6 HOH 30 330 66 HOH HOH A . 
J 6 HOH 31 331 25 HOH HOH A . 
J 6 HOH 32 332 20 HOH HOH A . 
J 6 HOH 33 333 12 HOH HOH A . 
J 6 HOH 34 334 11 HOH HOH A . 
J 6 HOH 35 335 21 HOH HOH A . 
J 6 HOH 36 336 59 HOH HOH A . 
J 6 HOH 37 337 9  HOH HOH A . 
J 6 HOH 38 338 26 HOH HOH A . 
J 6 HOH 39 339 24 HOH HOH A . 
J 6 HOH 40 340 5  HOH HOH A . 
J 6 HOH 41 341 44 HOH HOH A . 
J 6 HOH 42 342 27 HOH HOH A . 
J 6 HOH 43 343 4  HOH HOH A . 
J 6 HOH 44 344 70 HOH HOH A . 
J 6 HOH 45 345 7  HOH HOH A . 
J 6 HOH 46 346 58 HOH HOH A . 
J 6 HOH 47 347 6  HOH HOH A . 
J 6 HOH 48 348 48 HOH HOH A . 
J 6 HOH 49 349 47 HOH HOH A . 
J 6 HOH 50 350 56 HOH HOH A . 
J 6 HOH 51 351 65 HOH HOH A . 
J 6 HOH 52 352 32 HOH HOH A . 
J 6 HOH 53 353 42 HOH HOH A . 
J 6 HOH 54 354 69 HOH HOH A . 
J 6 HOH 55 355 50 HOH HOH A . 
J 6 HOH 56 356 29 HOH HOH A . 
J 6 HOH 57 357 54 HOH HOH A . 
J 6 HOH 58 358 37 HOH HOH A . 
J 6 HOH 59 359 39 HOH HOH A . 
J 6 HOH 60 360 33 HOH HOH A . 
J 6 HOH 61 361 28 HOH HOH A . 
J 6 HOH 62 362 57 HOH HOH A . 
J 6 HOH 63 363 36 HOH HOH A . 
J 6 HOH 64 364 41 HOH HOH A . 
J 6 HOH 65 365 31 HOH HOH A . 
J 6 HOH 66 366 18 HOH HOH A . 
J 6 HOH 67 367 68 HOH HOH A . 
J 6 HOH 68 368 34 HOH HOH A . 
# 
loop_
_pdbx_unobs_or_zero_occ_atoms.id 
_pdbx_unobs_or_zero_occ_atoms.PDB_model_num 
_pdbx_unobs_or_zero_occ_atoms.polymer_flag 
_pdbx_unobs_or_zero_occ_atoms.occupancy_flag 
_pdbx_unobs_or_zero_occ_atoms.auth_asym_id 
_pdbx_unobs_or_zero_occ_atoms.auth_comp_id 
_pdbx_unobs_or_zero_occ_atoms.auth_seq_id 
_pdbx_unobs_or_zero_occ_atoms.PDB_ins_code 
_pdbx_unobs_or_zero_occ_atoms.auth_atom_id 
_pdbx_unobs_or_zero_occ_atoms.label_alt_id 
_pdbx_unobs_or_zero_occ_atoms.label_asym_id 
_pdbx_unobs_or_zero_occ_atoms.label_comp_id 
_pdbx_unobs_or_zero_occ_atoms.label_seq_id 
_pdbx_unobs_or_zero_occ_atoms.label_atom_id 
1  1 Y 1 A SER -2  ? OG  ? A SER 7   OG  
2  1 Y 1 A LYS 29  ? CD  ? A LYS 38  CD  
3  1 Y 1 A LYS 29  ? CE  ? A LYS 38  CE  
4  1 Y 1 A LYS 29  ? NZ  ? A LYS 38  NZ  
5  1 Y 1 A LYS 73  ? CG  ? A LYS 63  CG  
6  1 Y 1 A LYS 73  ? CD  ? A LYS 63  CD  
7  1 Y 1 A LYS 73  ? CE  ? A LYS 63  CE  
8  1 Y 1 A LYS 73  ? NZ  ? A LYS 63  NZ  
9  1 Y 1 A GLU 101 ? CG  ? A GLU 91  CG  
10 1 Y 1 A GLU 101 ? CD  ? A GLU 91  CD  
11 1 Y 1 A GLU 101 ? OE1 ? A GLU 91  OE1 
12 1 Y 1 A GLU 101 ? OE2 ? A GLU 91  OE2 
13 1 Y 1 A LYS 104 ? CG  ? A LYS 94  CG  
14 1 Y 1 A LYS 104 ? CD  ? A LYS 94  CD  
15 1 Y 1 A LYS 104 ? CE  ? A LYS 94  CE  
16 1 Y 1 A LYS 104 ? NZ  ? A LYS 94  NZ  
17 1 Y 1 A LYS 137 ? CG  ? A LYS 127 CG  
18 1 Y 1 A LYS 137 ? CD  ? A LYS 127 CD  
19 1 Y 1 A LYS 137 ? CE  ? A LYS 127 CE  
20 1 Y 1 A LYS 137 ? NZ  ? A LYS 127 NZ  
21 1 Y 1 A LYS 139 ? CG  ? A LYS 129 CG  
22 1 Y 1 A LYS 139 ? CD  ? A LYS 129 CD  
23 1 Y 1 A LYS 139 ? CE  ? A LYS 129 CE  
24 1 Y 1 A LYS 139 ? NZ  ? A LYS 129 NZ  
25 1 Y 1 A GLU 141 ? CG  ? A GLU 131 CG  
26 1 Y 1 A GLU 141 ? CD  ? A GLU 131 CD  
27 1 Y 1 A GLU 141 ? OE1 ? A GLU 131 OE1 
28 1 Y 1 A GLU 141 ? OE2 ? A GLU 131 OE2 
29 1 Y 1 A LYS 142 ? CG  ? A LYS 132 CG  
30 1 Y 1 A LYS 142 ? CD  ? A LYS 132 CD  
31 1 Y 1 A LYS 142 ? CE  ? A LYS 132 CE  
32 1 Y 1 A LYS 142 ? NZ  ? A LYS 132 NZ  
33 1 Y 1 A LYS 158 ? CG  ? A LYS 148 CG  
34 1 Y 1 A LYS 158 ? CD  ? A LYS 148 CD  
35 1 Y 1 A LYS 158 ? CE  ? A LYS 148 CE  
36 1 Y 1 A LYS 158 ? NZ  ? A LYS 148 NZ  
37 1 Y 1 A GLN 193 ? CG  ? A GLN 183 CG  
38 1 Y 1 A GLN 193 ? CD  ? A GLN 183 CD  
39 1 Y 1 A GLN 193 ? OE1 ? A GLN 183 OE1 
40 1 Y 1 A GLN 193 ? NE2 ? A GLN 183 NE2 
41 1 Y 1 A ARG 196 ? CG  ? A ARG 186 CG  
42 1 Y 1 A ARG 196 ? CD  ? A ARG 186 CD  
43 1 Y 1 A ARG 196 ? NE  ? A ARG 186 NE  
44 1 Y 1 A ARG 196 ? CZ  ? A ARG 186 CZ  
45 1 Y 1 A ARG 196 ? NH1 ? A ARG 186 NH1 
46 1 Y 1 A ARG 196 ? NH2 ? A ARG 186 NH2 
# 
loop_
_software.citation_id 
_software.classification 
_software.compiler_name 
_software.compiler_version 
_software.contact_author 
_software.contact_author_email 
_software.date 
_software.description 
_software.dependencies 
_software.hardware 
_software.language 
_software.location 
_software.mods 
_software.name 
_software.os 
_software.os_version 
_software.type 
_software.version 
_software.pdbx_ordinal 
? refinement       ? ? ? ? ? ? ? ? ? ? ? REFMAC ? ? ? 5.8.0415 1 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? XSCALE ? ? ? .        2 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? XDS    ? ? ? .        3 
? phasing          ? ? ? ? ? ? ? ? ? ? ? MOLREP ? ? ? .        4 
# 
_cell.angle_alpha                  90.00 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   90.00 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  120.00 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     8PUP 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     73.950 
_cell.length_a_esd                 ? 
_cell.length_b                     73.950 
_cell.length_b_esd                 ? 
_cell.length_c                     126.610 
_cell.length_c_esd                 ? 
_cell.volume                       ? 
_cell.volume_esd                   ? 
_cell.Z_PDB                        12 
_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                         8PUP 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                181 
_symmetry.space_group_name_Hall            ? 
_symmetry.space_group_name_H-M             'P 64 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                   8PUP 
_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             2.31 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          46.73 
_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, HANGING DROP' 
_exptl_crystal_grow.method_ref      ? 
_exptl_crystal_grow.pH              7.5 
_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    'MDP, PEG 1000, PEG 3350, Sodium HEPES, MOPS (acid), Magnesium chloride, Calcium chloride' 
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            291.15 
# 
_diffrn.ambient_environment              ? 
_diffrn.ambient_temp                     100 
_diffrn.ambient_temp_details             ? 
_diffrn.ambient_temp_esd                 ? 
_diffrn.crystal_id                       1 
_diffrn.crystal_support                  ? 
_diffrn.crystal_treatment                ? 
_diffrn.details                          ? 
_diffrn.id                               1 
_diffrn.ambient_pressure                 ? 
_diffrn.ambient_pressure_esd             ? 
_diffrn.ambient_pressure_gt              ? 
_diffrn.ambient_pressure_lt              ? 
_diffrn.ambient_temp_gt                  ? 
_diffrn.ambient_temp_lt                  ? 
_diffrn.pdbx_serial_crystal_experiment   N 
# 
_diffrn_detector.details                      ? 
_diffrn_detector.detector                     PIXEL 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         'DECTRIS PILATUS 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         2023-03-15 
_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   0.9184 
_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                        'BESSY BEAMLINE 14.1' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        0.9184 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   14.1 
_diffrn_source.pdbx_synchrotron_site       BESSY 
# 
_reflns.B_iso_Wilson_estimate                          ? 
_reflns.entry_id                                       8PUP 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.93 
_reflns.d_resolution_low                               50 
_reflns.details                                        ? 
_reflns.limit_h_max                                    ? 
_reflns.limit_h_min                                    ? 
_reflns.limit_k_max                                    ? 
_reflns.limit_k_min                                    ? 
_reflns.limit_l_max                                    ? 
_reflns.limit_l_min                                    ? 
_reflns.number_all                                     ? 
_reflns.number_obs                                     28879 
_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                           99.0 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                17.2 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          19.85 
_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                                0.10099999999999999 
_reflns.pdbx_Rpim_I_all                                ? 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       ? 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   1.0 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              0.098 
_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                        ? 
# 
loop_
_reflns_shell.d_res_high 
_reflns_shell.d_res_low 
_reflns_shell.meanI_over_sigI_all 
_reflns_shell.meanI_over_sigI_obs 
_reflns_shell.number_measured_all 
_reflns_shell.number_measured_obs 
_reflns_shell.number_possible 
_reflns_shell.number_unique_all 
_reflns_shell.number_unique_obs 
_reflns_shell.percent_possible_obs 
_reflns_shell.Rmerge_F_all 
_reflns_shell.Rmerge_F_obs 
_reflns_shell.meanI_over_sigI_gt 
_reflns_shell.meanI_over_uI_all 
_reflns_shell.meanI_over_uI_gt 
_reflns_shell.number_measured_gt 
_reflns_shell.number_unique_gt 
_reflns_shell.percent_possible_gt 
_reflns_shell.Rmerge_F_gt 
_reflns_shell.Rmerge_I_gt 
_reflns_shell.pdbx_redundancy 
_reflns_shell.pdbx_chi_squared 
_reflns_shell.pdbx_netI_over_sigmaI_all 
_reflns_shell.pdbx_netI_over_sigmaI_obs 
_reflns_shell.pdbx_Rrim_I_all 
_reflns_shell.pdbx_Rpim_I_all 
_reflns_shell.pdbx_rejects 
_reflns_shell.pdbx_ordinal 
_reflns_shell.pdbx_diffrn_id 
_reflns_shell.pdbx_CC_half 
_reflns_shell.pdbx_CC_star 
_reflns_shell.pdbx_R_split 
_reflns_shell.percent_possible_all 
_reflns_shell.Rmerge_I_all 
_reflns_shell.Rmerge_I_obs 
_reflns_shell.pdbx_Rsym_value 
_reflns_shell.pdbx_percent_possible_ellipsoidal 
_reflns_shell.pdbx_percent_possible_spherical 
_reflns_shell.pdbx_percent_possible_ellipsoidal_anomalous 
_reflns_shell.pdbx_percent_possible_spherical_anomalous 
_reflns_shell.pdbx_redundancy_anomalous 
_reflns_shell.pdbx_CC_half_anomalous 
_reflns_shell.pdbx_absDiff_over_sigma_anomalous 
_reflns_shell.pdbx_percent_possible_anomalous 
1.93 2.05 ? ? ? ? ? ? 4494 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 2.331                ? ? 1 1 0.29600000000000004 ? ? ? ? 2.167 ? ? ? ? ? 
? ? ? ? 
2.05 2.19 ? ? ? ? ? ? 4375 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 1.167                ? ? 2 1 0.74                ? ? ? ? 1.115 ? ? ? ? ? 
? ? ? ? 
2.19 2.36 ? ? ? ? ? ? 4108 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 0.6970000000000001   ? ? 3 1 0.94                ? ? ? ? 
0.6779999999999999   ? ? ? ? ? ? ? ? ? 
2.36 2.59 ? ? ? ? ? ? 3795 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 0.445                ? ? 4 1 0.981               ? ? ? ? 0.434 ? ? ? ? ? 
? ? ? ? 
2.59 2.89 ? ? ? ? ? ? 3416 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 0.245                ? ? 5 1 0.993               ? ? ? ? 0.239 ? ? ? ? ? 
? ? ? ? 
2.89 3.34 ? ? ? ? ? ? 3044 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 0.128                ? ? 6 1 0.998               ? ? ? ? 0.125 ? ? ? ? ? 
? ? ? ? 
3.34 4.08 ? ? ? ? ? ? 2557 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 0.059000000000000004 ? ? 7 1 1.0                 ? ? ? ? 
0.057999999999999996 ? ? ? ? ? ? ? ? ? 
4.08 5.75 ? ? ? ? ? ? 1978 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 0.04                 ? ? 8 1 1.0                 ? ? ? ? 0.039 ? ? ? ? ? 
? ? ? ? 
5.75 50   ? ? ? ? ? ? 1112 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 0.031                ? ? 9 1 1.0                 ? ? ? ? 0.03 ? ? ? ? ? ? 
? ? ? 
# 
_refine.aniso_B[1][1]                            -0.46 
_refine.aniso_B[1][2]                            -0.23 
_refine.aniso_B[1][3]                            -0.00 
_refine.aniso_B[2][2]                            -0.46 
_refine.aniso_B[2][3]                            0.00 
_refine.aniso_B[3][3]                            1.49 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               44.982 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               0.950 
_refine.correlation_coeff_Fo_to_Fc_free          0.936 
_refine.details                                  'HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS' 
_refine.diff_density_max                         ? 
_refine.diff_density_max_esd                     ? 
_refine.diff_density_min                         ? 
_refine.diff_density_min_esd                     ? 
_refine.diff_density_rms                         ? 
_refine.diff_density_rms_esd                     ? 
_refine.entry_id                                 8PUP 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_abs_structure_details                 ? 
_refine.ls_abs_structure_Flack                   ? 
_refine.ls_abs_structure_Flack_esd               ? 
_refine.ls_abs_structure_Rogers                  ? 
_refine.ls_abs_structure_Rogers_esd              ? 
_refine.ls_d_res_high                            2.00 
_refine.ls_d_res_low                             45.02 
_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                     13683 
_refine.ls_number_reflns_R_free                  721 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.45 
_refine.ls_percent_reflns_R_free                 5.0 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.21831 
_refine.ls_R_factor_R_free                       0.26548 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.21587 
_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                    'BABINET MODEL WITH MASK' 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_R_complete                          ? 
_refine.ls_R_factor_gt                           ? 
_refine.ls_goodness_of_fit_gt                    ? 
_refine.ls_goodness_of_fit_ref                   ? 
_refine.ls_shift_over_su_max                     ? 
_refine.ls_shift_over_su_max_lt                  ? 
_refine.ls_shift_over_su_mean                    ? 
_refine.ls_shift_over_su_mean_lt                 ? 
_refine.pdbx_ls_sigma_I                          ? 
_refine.pdbx_ls_sigma_F                          ? 
_refine.pdbx_ls_sigma_Fsqd                       ? 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.pdbx_ls_cross_valid_method               THROUGHOUT 
_refine.pdbx_method_to_determine_struct          'MOLECULAR REPLACEMENT' 
_refine.pdbx_starting_model                      ? 
_refine.pdbx_stereochemistry_target_values       'MAXIMUM LIKELIHOOD' 
_refine.pdbx_R_Free_selection_details            RANDOM 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_overall_ESU_R                       0.202 
_refine.pdbx_overall_ESU_R_Free                  0.183 
_refine.pdbx_solvent_vdw_probe_radii             1.20 
_refine.pdbx_solvent_ion_probe_radii             0.80 
_refine.pdbx_solvent_shrinkage_radii             0.80 
_refine.pdbx_real_space_R                        ? 
_refine.pdbx_density_correlation                 ? 
_refine.pdbx_pd_number_of_powder_patterns        ? 
_refine.pdbx_pd_number_of_points                 ? 
_refine.pdbx_pd_meas_number_of_points            ? 
_refine.pdbx_pd_proc_ls_prof_R_factor            ? 
_refine.pdbx_pd_proc_ls_prof_wR_factor           ? 
_refine.pdbx_pd_Marquardt_correlation_coeff      ? 
_refine.pdbx_pd_Fsqrd_R_factor                   ? 
_refine.pdbx_pd_ls_matrix_band_width             ? 
_refine.pdbx_overall_phase_error                 ? 
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI   ? 
_refine.pdbx_overall_SU_R_free_Blow_DPI          ? 
_refine.pdbx_overall_SU_R_Blow_DPI               ? 
_refine.pdbx_TLS_residual_ADP_flag               ? 
_refine.pdbx_diffrn_id                           1 
_refine.overall_SU_B                             4.850 
_refine.overall_SU_ML                            0.132 
_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                         1 
_refine_hist.details                          ? 
_refine_hist.d_res_high                       2.00 
_refine_hist.d_res_low                        45.02 
_refine_hist.number_atoms_solvent             68 
_refine_hist.number_atoms_total               1566 
_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        1450 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         48 
_refine_hist.pdbx_number_atoms_lipid          ? 
_refine_hist.pdbx_number_atoms_carb           ? 
_refine_hist.pdbx_pseudo_atom_details         ? 
# 
loop_
_refine_ls_restr.pdbx_refine_id 
_refine_ls_restr.criterion 
_refine_ls_restr.dev_ideal 
_refine_ls_restr.dev_ideal_target 
_refine_ls_restr.number 
_refine_ls_restr.rejects 
_refine_ls_restr.type 
_refine_ls_restr.weight 
_refine_ls_restr.pdbx_restraint_function 
'X-RAY DIFFRACTION' ? 0.009  0.012  1527 ? r_bond_refined_d             ? ? 
'X-RAY DIFFRACTION' ? 0.008  0.016  1374 ? r_bond_other_d               ? ? 
'X-RAY DIFFRACTION' ? 1.271  1.682  2047 ? r_angle_refined_deg          ? ? 
'X-RAY DIFFRACTION' ? 0.443  1.575  3146 ? r_angle_other_deg            ? ? 
'X-RAY DIFFRACTION' ? 5.852  5.000  181  ? r_dihedral_angle_1_deg       ? ? 
'X-RAY DIFFRACTION' ? 8.240  5.000  21   ? r_dihedral_angle_2_deg       ? ? 
'X-RAY DIFFRACTION' ? 11.985 10.000 252  ? r_dihedral_angle_3_deg       ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_dihedral_angle_4_deg       ? ? 
'X-RAY DIFFRACTION' ? 0.058  0.200  216  ? r_chiral_restr               ? ? 
'X-RAY DIFFRACTION' ? 0.006  0.020  1825 ? r_gen_planes_refined         ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.020  372  ? r_gen_planes_other           ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_nbd_refined                ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_nbd_other                  ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_nbtor_refined              ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_nbtor_other                ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_xyhbond_nbd_refined        ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_xyhbond_nbd_other          ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_metal_ion_refined          ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_metal_ion_other            ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_symmetry_vdw_refined       ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_symmetry_vdw_other         ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_symmetry_hbond_refined     ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_symmetry_hbond_other       ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_symmetry_metal_ion_refined ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_symmetry_metal_ion_other   ? ? 
'X-RAY DIFFRACTION' ? 3.995  4.848  727  ? r_mcbond_it                  ? ? 
'X-RAY DIFFRACTION' ? 3.988  4.848  727  ? r_mcbond_other               ? ? 
'X-RAY DIFFRACTION' ? 5.397  8.692  907  ? r_mcangle_it                 ? ? 
'X-RAY DIFFRACTION' ? 5.394  8.696  908  ? r_mcangle_other              ? ? 
'X-RAY DIFFRACTION' ? 4.114  5.083  800  ? r_scbond_it                  ? ? 
'X-RAY DIFFRACTION' ? 4.111  5.081  801  ? r_scbond_other               ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_scangle_it                 ? ? 
'X-RAY DIFFRACTION' ? 6.018  9.202  1141 ? r_scangle_other              ? ? 
'X-RAY DIFFRACTION' ? 7.889  44.90  1761 ? r_long_range_B_refined       ? ? 
'X-RAY DIFFRACTION' ? 7.887  44.89  1762 ? r_long_range_B_other         ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_rigid_bond_restr           ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_sphericity_free            ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_sphericity_bonded          ? ? 
# 
_refine_ls_shell.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_ls_shell.d_res_high                       2.000 
_refine_ls_shell.d_res_low                        2.052 
_refine_ls_shell.number_reflns_all                ? 
_refine_ls_shell.number_reflns_obs                ? 
_refine_ls_shell.number_reflns_R_free             49 
_refine_ls_shell.number_reflns_R_work             945 
_refine_ls_shell.percent_reflns_obs               96.04 
_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                  0.308 
_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   20 
_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                  0.310 
# 
_struct.entry_id                     8PUP 
_struct.title                        
'Influenza A/California/07/2009(H1N1) endonuclease in complex with purpurogallin-like compound' 
_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        8PUP 
_struct_keywords.text            'RNA-dependent RNA polymerase, endonuclease inhibitor, purpurogallin, antivirals, VIRAL PROTEIN' 
_struct_keywords.pdbx_keywords   'VIRAL PROTEIN' 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 2 ? 
C N N 3 ? 
D N N 4 ? 
E N N 4 ? 
F N N 4 ? 
G N N 4 ? 
H N N 4 ? 
I N N 5 ? 
J N N 6 ? 
# 
loop_
_struct_ref.id 
_struct_ref.db_name 
_struct_ref.db_code 
_struct_ref.pdbx_db_accession 
_struct_ref.pdbx_db_isoform 
_struct_ref.entity_id 
_struct_ref.pdbx_seq_one_letter_code 
_struct_ref.pdbx_align_begin 
1 UNP C3W5X6_9INFA C3W5X6 ? 1 MEDFVRQCFNPMIVELAEKAMKEYGEDPKIETNKFAAICTHLEVCFMYSD 1  
2 UNP C3W5X6_9INFA C3W5X6 ? 1 
;KHRFEIIEGRDRIMAWTVVNSICNTTGVEKPKFLPDLYDYKENRFIEIGVTRREVHIYYLEKANKIKSEKTHIHIFSFTG
EEMATKADYTLDEESRARIKTRLFTIRQEMASRSLWDSFRQSER
;
73 
# 
loop_
_struct_ref_seq.align_id 
_struct_ref_seq.ref_id 
_struct_ref_seq.pdbx_PDB_id_code 
_struct_ref_seq.pdbx_strand_id 
_struct_ref_seq.seq_align_beg 
_struct_ref_seq.pdbx_seq_align_beg_ins_code 
_struct_ref_seq.seq_align_end 
_struct_ref_seq.pdbx_seq_align_end_ins_code 
_struct_ref_seq.pdbx_db_accession 
_struct_ref_seq.db_align_beg 
_struct_ref_seq.pdbx_db_align_beg_ins_code 
_struct_ref_seq.db_align_end 
_struct_ref_seq.pdbx_db_align_end_ins_code 
_struct_ref_seq.pdbx_auth_seq_align_beg 
_struct_ref_seq.pdbx_auth_seq_align_end 
1 1 8PUP A 10 ? 59  ? C3W5X6 1  ? 50  ? 1  50  
2 2 8PUP A 63 ? 186 ? C3W5X6 73 ? 196 ? 73 196 
# 
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 8PUP SER A 1  ? UNP C3W5X6 ? ? 'expression tag' -8 1  
1 8PUP GLY A 2  ? UNP C3W5X6 ? ? 'expression tag' -7 2  
1 8PUP SER A 3  ? UNP C3W5X6 ? ? 'expression tag' -6 3  
1 8PUP GLY A 4  ? UNP C3W5X6 ? ? 'expression tag' -5 4  
1 8PUP SER A 5  ? UNP C3W5X6 ? ? 'expression tag' -4 5  
1 8PUP GLY A 6  ? UNP C3W5X6 ? ? 'expression tag' -3 6  
1 8PUP SER A 7  ? UNP C3W5X6 ? ? 'expression tag' -2 7  
1 8PUP GLY A 8  ? UNP C3W5X6 ? ? 'expression tag' -1 8  
1 8PUP SER A 9  ? UNP C3W5X6 ? ? 'expression tag' 0  9  
1 8PUP GLY A 60 ? UNP C3W5X6 ? ? linker           51 10 
1 8PUP GLY A 61 ? UNP C3W5X6 ? ? linker           52 11 
1 8PUP SER A 62 ? UNP C3W5X6 ? ? linker           72 12 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_and_software_defined_assembly 
_pdbx_struct_assembly.method_details       PISA 
_pdbx_struct_assembly.oligomeric_details   monomeric 
_pdbx_struct_assembly.oligomeric_count     1 
# 
loop_
_pdbx_struct_assembly_prop.biol_id 
_pdbx_struct_assembly_prop.type 
_pdbx_struct_assembly_prop.value 
_pdbx_struct_assembly_prop.details 
1 'ABSA (A^2)' 1250 ? 
1 MORE         4    ? 
1 'SSA (A^2)'  9160 ? 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C,D,E,F,G,H,I,J 
# 
_pdbx_struct_assembly_auth_evidence.id                     1 
_pdbx_struct_assembly_auth_evidence.assembly_id            1 
_pdbx_struct_assembly_auth_evidence.experimental_support   'gel filtration' 
_pdbx_struct_assembly_auth_evidence.details                ? 
# 
_pdbx_struct_oper_list.id                   1 
_pdbx_struct_oper_list.type                 'identity operation' 
_pdbx_struct_oper_list.name                 1_555 
_pdbx_struct_oper_list.symmetry_operation   x,y,z 
_pdbx_struct_oper_list.matrix[1][1]         1.0000000000 
_pdbx_struct_oper_list.matrix[1][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[1][3]         0.0000000000 
_pdbx_struct_oper_list.vector[1]            0.0000000000 
_pdbx_struct_oper_list.matrix[2][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[2][2]         1.0000000000 
_pdbx_struct_oper_list.matrix[2][3]         0.0000000000 
_pdbx_struct_oper_list.vector[2]            0.0000000000 
_pdbx_struct_oper_list.matrix[3][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][3]         1.0000000000 
_pdbx_struct_oper_list.vector[3]            0.0000000000 
# 
loop_
_struct_conf.conf_type_id 
_struct_conf.id 
_struct_conf.pdbx_PDB_helix_id 
_struct_conf.beg_label_comp_id 
_struct_conf.beg_label_asym_id 
_struct_conf.beg_label_seq_id 
_struct_conf.pdbx_beg_PDB_ins_code 
_struct_conf.end_label_comp_id 
_struct_conf.end_label_asym_id 
_struct_conf.end_label_seq_id 
_struct_conf.pdbx_end_PDB_ins_code 
_struct_conf.beg_auth_comp_id 
_struct_conf.beg_auth_asym_id 
_struct_conf.beg_auth_seq_id 
_struct_conf.end_auth_comp_id 
_struct_conf.end_auth_asym_id 
_struct_conf.end_auth_seq_id 
_struct_conf.pdbx_PDB_helix_class 
_struct_conf.details 
_struct_conf.pdbx_PDB_helix_length 
HELX_P HELX_P1 AA1 SER A 7   ? PHE A 18  ? SER A -2  PHE A 9   1 ? 12 
HELX_P HELX_P2 AA2 ASN A 19  ? GLU A 32  ? ASN A 10  GLU A 23  1 ? 14 
HELX_P HELX_P3 AA3 GLU A 40  ? ASP A 59  ? GLU A 31  ASP A 50  1 ? 20 
HELX_P HELX_P4 AA4 ASP A 73  ? GLY A 89  ? ASP A 83  GLY A 99  1 ? 17 
HELX_P HELX_P5 AA5 GLU A 116 ? ILE A 128 ? GLU A 126 ILE A 138 1 ? 13 
HELX_P HELX_P6 AA6 LYS A 148 ? ASP A 150 ? LYS A 158 ASP A 160 5 ? 3  
HELX_P HELX_P7 AA7 ASP A 154 ? ARG A 175 ? ASP A 164 ARG A 185 1 ? 22 
HELX_P HELX_P8 AA8 LEU A 177 ? SER A 184 ? LEU A 187 SER A 194 1 ? 8  
# 
_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 HIS 50  NE2 ? ? ? 1_555 B MN  . MN ? ? A HIS 41  A MN  201 1_555 ? ? ? ? ? ? ? 2.326 ? ? 
metalc2  metalc ? ? A GLU 70  OE1 ? ? ? 1_555 C MG  . MG ? ? A GLU 80  A MG  202 1_555 ? ? ? ? ? ? ? 2.123 ? ? 
metalc3  metalc ? ? A ASP 98  OD2 ? ? ? 1_555 B MN  . MN ? ? A ASP 108 A MN  201 1_555 ? ? ? ? ? ? ? 2.212 ? ? 
metalc4  metalc ? ? A ASP 98  OD1 ? ? ? 1_555 C MG  . MG ? ? A ASP 108 A MG  202 1_555 ? ? ? ? ? ? ? 1.949 ? ? 
metalc5  metalc ? ? A GLU 109 OE2 ? ? ? 1_555 B MN  . MN ? ? A GLU 119 A MN  201 1_555 ? ? ? ? ? ? ? 2.299 ? ? 
metalc6  metalc ? ? A ILE 110 O   ? ? ? 1_555 B MN  . MN ? ? A ILE 120 A MN  201 1_555 ? ? ? ? ? ? ? 2.273 ? ? 
metalc7  metalc ? ? B MN  .   MN  ? ? ? 1_555 I H2I . O1 ? ? A MN  201 A H2I 208 1_555 ? ? ? ? ? ? ? 1.822 ? ? 
metalc8  metalc ? ? B MN  .   MN  ? ? ? 1_555 I H2I . O6 ? ? A MN  201 A H2I 208 1_555 ? ? ? ? ? ? ? 1.929 ? ? 
metalc9  metalc ? ? C MG  .   MG  ? ? ? 1_555 I H2I . O5 ? ? A MG  202 A H2I 208 1_555 ? ? ? ? ? ? ? 1.954 ? ? 
metalc10 metalc ? ? C MG  .   MG  ? ? ? 1_555 I H2I . O6 ? ? A MG  202 A H2I 208 1_555 ? ? ? ? ? ? ? 2.033 ? ? 
metalc11 metalc ? ? C MG  .   MG  ? ? ? 1_555 J HOH . O  ? ? A MG  202 A HOH 309 1_555 ? ? ? ? ? ? ? 2.150 ? ? 
metalc12 metalc ? ? C MG  .   MG  ? ? ? 1_555 J HOH . O  ? ? A MG  202 A HOH 319 1_555 ? ? ? ? ? ? ? 2.295 ? ? 
# 
_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  NE2 ? A HIS 50  ? A HIS 41  ? 1_555 MN ? B MN . ? A MN 201 ? 1_555 OD2 ? A ASP 98  ? A ASP 108 ? 1_555 100.7 ? 
2  NE2 ? A HIS 50  ? A HIS 41  ? 1_555 MN ? B MN . ? A MN 201 ? 1_555 OE2 ? A GLU 109 ? A GLU 119 ? 1_555 169.5 ? 
3  OD2 ? A ASP 98  ? A ASP 108 ? 1_555 MN ? B MN . ? A MN 201 ? 1_555 OE2 ? A GLU 109 ? A GLU 119 ? 1_555 85.3  ? 
4  NE2 ? A HIS 50  ? A HIS 41  ? 1_555 MN ? B MN . ? A MN 201 ? 1_555 O   ? A ILE 110 ? A ILE 120 ? 1_555 86.7  ? 
5  OD2 ? A ASP 98  ? A ASP 108 ? 1_555 MN ? B MN . ? A MN 201 ? 1_555 O   ? A ILE 110 ? A ILE 120 ? 1_555 90.0  ? 
6  OE2 ? A GLU 109 ? A GLU 119 ? 1_555 MN ? B MN . ? A MN 201 ? 1_555 O   ? A ILE 110 ? A ILE 120 ? 1_555 84.7  ? 
7  NE2 ? A HIS 50  ? A HIS 41  ? 1_555 MN ? B MN . ? A MN 201 ? 1_555 O1  ? I H2I .   ? A H2I 208 ? 1_555 84.8  ? 
8  OD2 ? A ASP 98  ? A ASP 108 ? 1_555 MN ? B MN . ? A MN 201 ? 1_555 O1  ? I H2I .   ? A H2I 208 ? 1_555 170.2 ? 
9  OE2 ? A GLU 109 ? A GLU 119 ? 1_555 MN ? B MN . ? A MN 201 ? 1_555 O1  ? I H2I .   ? A H2I 208 ? 1_555 88.1  ? 
10 O   ? A ILE 110 ? A ILE 120 ? 1_555 MN ? B MN . ? A MN 201 ? 1_555 O1  ? I H2I .   ? A H2I 208 ? 1_555 82.2  ? 
11 NE2 ? A HIS 50  ? A HIS 41  ? 1_555 MN ? B MN . ? A MN 201 ? 1_555 O6  ? I H2I .   ? A H2I 208 ? 1_555 94.0  ? 
12 OD2 ? A ASP 98  ? A ASP 108 ? 1_555 MN ? B MN . ? A MN 201 ? 1_555 O6  ? I H2I .   ? A H2I 208 ? 1_555 102.1 ? 
13 OE2 ? A GLU 109 ? A GLU 119 ? 1_555 MN ? B MN . ? A MN 201 ? 1_555 O6  ? I H2I .   ? A H2I 208 ? 1_555 93.1  ? 
14 O   ? A ILE 110 ? A ILE 120 ? 1_555 MN ? B MN . ? A MN 201 ? 1_555 O6  ? I H2I .   ? A H2I 208 ? 1_555 167.5 ? 
15 O1  ? I H2I .   ? A H2I 208 ? 1_555 MN ? B MN . ? A MN 201 ? 1_555 O6  ? I H2I .   ? A H2I 208 ? 1_555 85.4  ? 
16 OE1 ? A GLU 70  ? A GLU 80  ? 1_555 MG ? C MG . ? A MG 202 ? 1_555 OD1 ? A ASP 98  ? A ASP 108 ? 1_555 94.3  ? 
17 OE1 ? A GLU 70  ? A GLU 80  ? 1_555 MG ? C MG . ? A MG 202 ? 1_555 O5  ? I H2I .   ? A H2I 208 ? 1_555 88.1  ? 
18 OD1 ? A ASP 98  ? A ASP 108 ? 1_555 MG ? C MG . ? A MG 202 ? 1_555 O5  ? I H2I .   ? A H2I 208 ? 1_555 176.8 ? 
19 OE1 ? A GLU 70  ? A GLU 80  ? 1_555 MG ? C MG . ? A MG 202 ? 1_555 O6  ? I H2I .   ? A H2I 208 ? 1_555 105.8 ? 
20 OD1 ? A ASP 98  ? A ASP 108 ? 1_555 MG ? C MG . ? A MG 202 ? 1_555 O6  ? I H2I .   ? A H2I 208 ? 1_555 90.2  ? 
21 O5  ? I H2I .   ? A H2I 208 ? 1_555 MG ? C MG . ? A MG 202 ? 1_555 O6  ? I H2I .   ? A H2I 208 ? 1_555 87.2  ? 
22 OE1 ? A GLU 70  ? A GLU 80  ? 1_555 MG ? C MG . ? A MG 202 ? 1_555 O   ? J HOH .   ? A HOH 309 ? 1_555 169.4 ? 
23 OD1 ? A ASP 98  ? A ASP 108 ? 1_555 MG ? C MG . ? A MG 202 ? 1_555 O   ? J HOH .   ? A HOH 309 ? 1_555 92.2  ? 
24 O5  ? I H2I .   ? A H2I 208 ? 1_555 MG ? C MG . ? A MG 202 ? 1_555 O   ? J HOH .   ? A HOH 309 ? 1_555 85.6  ? 
25 O6  ? I H2I .   ? A H2I 208 ? 1_555 MG ? C MG . ? A MG 202 ? 1_555 O   ? J HOH .   ? A HOH 309 ? 1_555 82.5  ? 
26 OE1 ? A GLU 70  ? A GLU 80  ? 1_555 MG ? C MG . ? A MG 202 ? 1_555 O   ? J HOH .   ? A HOH 319 ? 1_555 88.6  ? 
27 OD1 ? A ASP 98  ? A ASP 108 ? 1_555 MG ? C MG . ? A MG 202 ? 1_555 O   ? J HOH .   ? A HOH 319 ? 1_555 94.5  ? 
28 O5  ? I H2I .   ? A H2I 208 ? 1_555 MG ? C MG . ? A MG 202 ? 1_555 O   ? J HOH .   ? A HOH 319 ? 1_555 87.5  ? 
29 O6  ? I H2I .   ? A H2I 208 ? 1_555 MG ? C MG . ? A MG 202 ? 1_555 O   ? J HOH .   ? A HOH 319 ? 1_555 164.5 ? 
30 O   ? J HOH .   ? A HOH 309 ? 1_555 MG ? C MG . ? A MG 202 ? 1_555 O   ? J HOH .   ? A HOH 319 ? 1_555 82.6  ? 
# 
_struct_sheet.id               AA1 
_struct_sheet.type             ? 
_struct_sheet.number_strands   5 
_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 ? parallel      
AA1 4 5 ? 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 PHE A 66  ? ILE A 68  ? PHE A 76  ILE A 78  
AA1 2 LEU A 99  ? ASP A 101 ? LEU A 109 ASP A 111 
AA1 3 ARG A 106 ? THR A 113 ? ARG A 116 THR A 123 
AA1 4 HIS A 134 ? SER A 139 ? HIS A 144 SER A 149 
AA1 5 GLU A 144 ? ALA A 146 ? GLU A 154 ALA A 156 
# 
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 GLU A 67  ? N GLU A 77  O TYR A 100 ? O TYR A 110 
AA1 2 3 N ASP A 101 ? N ASP A 111 O ARG A 106 ? O ARG A 116 
AA1 3 4 N GLU A 109 ? N GLU A 119 O HIS A 134 ? O HIS A 144 
AA1 4 5 N ILE A 137 ? N ILE A 147 O MET A 145 ? O MET A 155 
# 
_pdbx_entry_details.entry_id                   8PUP 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.has_ligand_of_interest     Y 
_pdbx_entry_details.has_protein_modification   N 
# 
loop_
_pdbx_validate_close_contact.id 
_pdbx_validate_close_contact.PDB_model_num 
_pdbx_validate_close_contact.auth_atom_id_1 
_pdbx_validate_close_contact.auth_asym_id_1 
_pdbx_validate_close_contact.auth_comp_id_1 
_pdbx_validate_close_contact.auth_seq_id_1 
_pdbx_validate_close_contact.PDB_ins_code_1 
_pdbx_validate_close_contact.label_alt_id_1 
_pdbx_validate_close_contact.auth_atom_id_2 
_pdbx_validate_close_contact.auth_asym_id_2 
_pdbx_validate_close_contact.auth_comp_id_2 
_pdbx_validate_close_contact.auth_seq_id_2 
_pdbx_validate_close_contact.PDB_ins_code_2 
_pdbx_validate_close_contact.label_alt_id_2 
_pdbx_validate_close_contact.dist 
1 1 O   A HOH 352 ? ? O A HOH 365 ? ? 2.03 
2 1 O   A HOH 347 ? ? O A HOH 358 ? ? 2.11 
3 1 OG1 A THR 143 ? ? O A HOH 301 ? ? 2.15 
# 
_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     343 
_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     356 
_pdbx_validate_symm_contact.PDB_ins_code_2    ? 
_pdbx_validate_symm_contact.label_alt_id_2    ? 
_pdbx_validate_symm_contact.site_symmetry_2   11_655 
_pdbx_validate_symm_contact.dist              2.11 
# 
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 GLU A 141 ? ? 64.14 -4.79  
2 1 THR A 162 ? ? 69.73 -65.12 
# 
_pdbx_validate_planes.id              1 
_pdbx_validate_planes.PDB_model_num   1 
_pdbx_validate_planes.auth_comp_id    ARG 
_pdbx_validate_planes.auth_asym_id    A 
_pdbx_validate_planes.auth_seq_id     168 
_pdbx_validate_planes.PDB_ins_code    ? 
_pdbx_validate_planes.label_alt_id    ? 
_pdbx_validate_planes.rmsd            0.114 
_pdbx_validate_planes.type            'SIDE CHAIN' 
# 
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 SER -8 ? A SER 1 
2 1 Y 1 A GLY -7 ? A GLY 2 
3 1 Y 1 A SER -6 ? A SER 3 
4 1 Y 1 A GLY -5 ? A GLY 4 
# 
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.pdbx_ordinal 
ALA N    N  N N 1   
ALA CA   C  N S 2   
ALA C    C  N N 3   
ALA O    O  N N 4   
ALA CB   C  N N 5   
ALA OXT  O  N N 6   
ALA H    H  N N 7   
ALA H2   H  N N 8   
ALA HA   H  N N 9   
ALA HB1  H  N N 10  
ALA HB2  H  N N 11  
ALA HB3  H  N N 12  
ALA HXT  H  N N 13  
ARG N    N  N N 14  
ARG CA   C  N S 15  
ARG C    C  N N 16  
ARG O    O  N N 17  
ARG CB   C  N N 18  
ARG CG   C  N N 19  
ARG CD   C  N N 20  
ARG NE   N  N N 21  
ARG CZ   C  N N 22  
ARG NH1  N  N N 23  
ARG NH2  N  N N 24  
ARG OXT  O  N N 25  
ARG H    H  N N 26  
ARG H2   H  N N 27  
ARG HA   H  N N 28  
ARG HB2  H  N N 29  
ARG HB3  H  N N 30  
ARG HG2  H  N N 31  
ARG HG3  H  N N 32  
ARG HD2  H  N N 33  
ARG HD3  H  N N 34  
ARG HE   H  N N 35  
ARG HH11 H  N N 36  
ARG HH12 H  N N 37  
ARG HH21 H  N N 38  
ARG HH22 H  N N 39  
ARG HXT  H  N N 40  
ASN N    N  N N 41  
ASN CA   C  N S 42  
ASN C    C  N N 43  
ASN O    O  N N 44  
ASN CB   C  N N 45  
ASN CG   C  N N 46  
ASN OD1  O  N N 47  
ASN ND2  N  N N 48  
ASN OXT  O  N N 49  
ASN H    H  N N 50  
ASN H2   H  N N 51  
ASN HA   H  N N 52  
ASN HB2  H  N N 53  
ASN HB3  H  N N 54  
ASN HD21 H  N N 55  
ASN HD22 H  N N 56  
ASN HXT  H  N N 57  
ASP N    N  N N 58  
ASP CA   C  N S 59  
ASP C    C  N N 60  
ASP O    O  N N 61  
ASP CB   C  N N 62  
ASP CG   C  N N 63  
ASP OD1  O  N N 64  
ASP OD2  O  N N 65  
ASP OXT  O  N N 66  
ASP H    H  N N 67  
ASP H2   H  N N 68  
ASP HA   H  N N 69  
ASP HB2  H  N N 70  
ASP HB3  H  N N 71  
ASP HD2  H  N N 72  
ASP HXT  H  N N 73  
CYS N    N  N N 74  
CYS CA   C  N R 75  
CYS C    C  N N 76  
CYS O    O  N N 77  
CYS CB   C  N N 78  
CYS SG   S  N N 79  
CYS OXT  O  N N 80  
CYS H    H  N N 81  
CYS H2   H  N N 82  
CYS HA   H  N N 83  
CYS HB2  H  N N 84  
CYS HB3  H  N N 85  
CYS HG   H  N N 86  
CYS HXT  H  N N 87  
EDO C1   C  N N 88  
EDO O1   O  N N 89  
EDO C2   C  N N 90  
EDO O2   O  N N 91  
EDO H11  H  N N 92  
EDO H12  H  N N 93  
EDO HO1  H  N N 94  
EDO H21  H  N N 95  
EDO H22  H  N N 96  
EDO HO2  H  N N 97  
GLN N    N  N N 98  
GLN CA   C  N S 99  
GLN C    C  N N 100 
GLN O    O  N N 101 
GLN CB   C  N N 102 
GLN CG   C  N N 103 
GLN CD   C  N N 104 
GLN OE1  O  N N 105 
GLN NE2  N  N N 106 
GLN OXT  O  N N 107 
GLN H    H  N N 108 
GLN H2   H  N N 109 
GLN HA   H  N N 110 
GLN HB2  H  N N 111 
GLN HB3  H  N N 112 
GLN HG2  H  N N 113 
GLN HG3  H  N N 114 
GLN HE21 H  N N 115 
GLN HE22 H  N N 116 
GLN HXT  H  N N 117 
GLU N    N  N N 118 
GLU CA   C  N S 119 
GLU C    C  N N 120 
GLU O    O  N N 121 
GLU CB   C  N N 122 
GLU CG   C  N N 123 
GLU CD   C  N N 124 
GLU OE1  O  N N 125 
GLU OE2  O  N N 126 
GLU OXT  O  N N 127 
GLU H    H  N N 128 
GLU H2   H  N N 129 
GLU HA   H  N N 130 
GLU HB2  H  N N 131 
GLU HB3  H  N N 132 
GLU HG2  H  N N 133 
GLU HG3  H  N N 134 
GLU HE2  H  N N 135 
GLU HXT  H  N N 136 
GLY N    N  N N 137 
GLY CA   C  N N 138 
GLY C    C  N N 139 
GLY O    O  N N 140 
GLY OXT  O  N N 141 
GLY H    H  N N 142 
GLY H2   H  N N 143 
GLY HA2  H  N N 144 
GLY HA3  H  N N 145 
GLY HXT  H  N N 146 
H2I N1   N  N N 147 
H2I C4   C  Y N 148 
H2I C5   C  N N 149 
H2I C6   C  N N 150 
H2I C7   C  N N 151 
H2I C8   C  N N 152 
H2I C10  C  Y N 153 
H2I C13  C  Y N 154 
H2I C15  C  N N 155 
H2I C17  C  N N 156 
H2I O1   O  N N 157 
H2I C1   C  Y N 158 
H2I C2   C  Y N 159 
H2I C3   C  Y N 160 
H2I C9   C  Y N 161 
H2I C11  C  Y N 162 
H2I C12  C  Y N 163 
H2I O2   O  N N 164 
H2I C14  C  Y N 165 
H2I O3   O  N N 166 
H2I C16  C  N N 167 
H2I O4   O  N N 168 
H2I O5   O  N N 169 
H2I C18  C  Y N 170 
H2I C19  C  Y N 171 
H2I O6   O  N N 172 
H2I H1   H  N N 173 
H2I H2   H  N N 174 
H2I H3   H  N N 175 
H2I H4   H  N N 176 
H2I H5   H  N N 177 
H2I H6   H  N N 178 
H2I H7   H  N N 179 
H2I H8   H  N N 180 
H2I H9   H  N N 181 
H2I H10  H  N N 182 
H2I H11  H  N N 183 
H2I H12  H  N N 184 
H2I H13  H  N N 185 
H2I H14  H  N N 186 
H2I H15  H  N N 187 
HIS N    N  N N 188 
HIS CA   C  N S 189 
HIS C    C  N N 190 
HIS O    O  N N 191 
HIS CB   C  N N 192 
HIS CG   C  Y N 193 
HIS ND1  N  Y N 194 
HIS CD2  C  Y N 195 
HIS CE1  C  Y N 196 
HIS NE2  N  Y N 197 
HIS OXT  O  N N 198 
HIS H    H  N N 199 
HIS H2   H  N N 200 
HIS HA   H  N N 201 
HIS HB2  H  N N 202 
HIS HB3  H  N N 203 
HIS HD1  H  N N 204 
HIS HD2  H  N N 205 
HIS HE1  H  N N 206 
HIS HE2  H  N N 207 
HIS HXT  H  N N 208 
HOH O    O  N N 209 
HOH H1   H  N N 210 
HOH H2   H  N N 211 
ILE N    N  N N 212 
ILE CA   C  N S 213 
ILE C    C  N N 214 
ILE O    O  N N 215 
ILE CB   C  N S 216 
ILE CG1  C  N N 217 
ILE CG2  C  N N 218 
ILE CD1  C  N N 219 
ILE OXT  O  N N 220 
ILE H    H  N N 221 
ILE H2   H  N N 222 
ILE HA   H  N N 223 
ILE HB   H  N N 224 
ILE HG12 H  N N 225 
ILE HG13 H  N N 226 
ILE HG21 H  N N 227 
ILE HG22 H  N N 228 
ILE HG23 H  N N 229 
ILE HD11 H  N N 230 
ILE HD12 H  N N 231 
ILE HD13 H  N N 232 
ILE HXT  H  N N 233 
LEU N    N  N N 234 
LEU CA   C  N S 235 
LEU C    C  N N 236 
LEU O    O  N N 237 
LEU CB   C  N N 238 
LEU CG   C  N N 239 
LEU CD1  C  N N 240 
LEU CD2  C  N N 241 
LEU OXT  O  N N 242 
LEU H    H  N N 243 
LEU H2   H  N N 244 
LEU HA   H  N N 245 
LEU HB2  H  N N 246 
LEU HB3  H  N N 247 
LEU HG   H  N N 248 
LEU HD11 H  N N 249 
LEU HD12 H  N N 250 
LEU HD13 H  N N 251 
LEU HD21 H  N N 252 
LEU HD22 H  N N 253 
LEU HD23 H  N N 254 
LEU HXT  H  N N 255 
LYS N    N  N N 256 
LYS CA   C  N S 257 
LYS C    C  N N 258 
LYS O    O  N N 259 
LYS CB   C  N N 260 
LYS CG   C  N N 261 
LYS CD   C  N N 262 
LYS CE   C  N N 263 
LYS NZ   N  N N 264 
LYS OXT  O  N N 265 
LYS H    H  N N 266 
LYS H2   H  N N 267 
LYS HA   H  N N 268 
LYS HB2  H  N N 269 
LYS HB3  H  N N 270 
LYS HG2  H  N N 271 
LYS HG3  H  N N 272 
LYS HD2  H  N N 273 
LYS HD3  H  N N 274 
LYS HE2  H  N N 275 
LYS HE3  H  N N 276 
LYS HZ1  H  N N 277 
LYS HZ2  H  N N 278 
LYS HZ3  H  N N 279 
LYS HXT  H  N N 280 
MET N    N  N N 281 
MET CA   C  N S 282 
MET C    C  N N 283 
MET O    O  N N 284 
MET CB   C  N N 285 
MET CG   C  N N 286 
MET SD   S  N N 287 
MET CE   C  N N 288 
MET OXT  O  N N 289 
MET H    H  N N 290 
MET H2   H  N N 291 
MET HA   H  N N 292 
MET HB2  H  N N 293 
MET HB3  H  N N 294 
MET HG2  H  N N 295 
MET HG3  H  N N 296 
MET HE1  H  N N 297 
MET HE2  H  N N 298 
MET HE3  H  N N 299 
MET HXT  H  N N 300 
MG  MG   MG N N 301 
MN  MN   MN N N 302 
PHE N    N  N N 303 
PHE CA   C  N S 304 
PHE C    C  N N 305 
PHE O    O  N N 306 
PHE CB   C  N N 307 
PHE CG   C  Y N 308 
PHE CD1  C  Y N 309 
PHE CD2  C  Y N 310 
PHE CE1  C  Y N 311 
PHE CE2  C  Y N 312 
PHE CZ   C  Y N 313 
PHE OXT  O  N N 314 
PHE H    H  N N 315 
PHE H2   H  N N 316 
PHE HA   H  N N 317 
PHE HB2  H  N N 318 
PHE HB3  H  N N 319 
PHE HD1  H  N N 320 
PHE HD2  H  N N 321 
PHE HE1  H  N N 322 
PHE HE2  H  N N 323 
PHE HZ   H  N N 324 
PHE HXT  H  N N 325 
PRO N    N  N N 326 
PRO CA   C  N S 327 
PRO C    C  N N 328 
PRO O    O  N N 329 
PRO CB   C  N N 330 
PRO CG   C  N N 331 
PRO CD   C  N N 332 
PRO OXT  O  N N 333 
PRO H    H  N N 334 
PRO HA   H  N N 335 
PRO HB2  H  N N 336 
PRO HB3  H  N N 337 
PRO HG2  H  N N 338 
PRO HG3  H  N N 339 
PRO HD2  H  N N 340 
PRO HD3  H  N N 341 
PRO HXT  H  N N 342 
SER N    N  N N 343 
SER CA   C  N S 344 
SER C    C  N N 345 
SER O    O  N N 346 
SER CB   C  N N 347 
SER OG   O  N N 348 
SER OXT  O  N N 349 
SER H    H  N N 350 
SER H2   H  N N 351 
SER HA   H  N N 352 
SER HB2  H  N N 353 
SER HB3  H  N N 354 
SER HG   H  N N 355 
SER HXT  H  N N 356 
THR N    N  N N 357 
THR CA   C  N S 358 
THR C    C  N N 359 
THR O    O  N N 360 
THR CB   C  N R 361 
THR OG1  O  N N 362 
THR CG2  C  N N 363 
THR OXT  O  N N 364 
THR H    H  N N 365 
THR H2   H  N N 366 
THR HA   H  N N 367 
THR HB   H  N N 368 
THR HG1  H  N N 369 
THR HG21 H  N N 370 
THR HG22 H  N N 371 
THR HG23 H  N N 372 
THR HXT  H  N N 373 
TRP N    N  N N 374 
TRP CA   C  N S 375 
TRP C    C  N N 376 
TRP O    O  N N 377 
TRP CB   C  N N 378 
TRP CG   C  Y N 379 
TRP CD1  C  Y N 380 
TRP CD2  C  Y N 381 
TRP NE1  N  Y N 382 
TRP CE2  C  Y N 383 
TRP CE3  C  Y N 384 
TRP CZ2  C  Y N 385 
TRP CZ3  C  Y N 386 
TRP CH2  C  Y N 387 
TRP OXT  O  N N 388 
TRP H    H  N N 389 
TRP H2   H  N N 390 
TRP HA   H  N N 391 
TRP HB2  H  N N 392 
TRP HB3  H  N N 393 
TRP HD1  H  N N 394 
TRP HE1  H  N N 395 
TRP HE3  H  N N 396 
TRP HZ2  H  N N 397 
TRP HZ3  H  N N 398 
TRP HH2  H  N N 399 
TRP HXT  H  N N 400 
TYR N    N  N N 401 
TYR CA   C  N S 402 
TYR C    C  N N 403 
TYR O    O  N N 404 
TYR CB   C  N N 405 
TYR CG   C  Y N 406 
TYR CD1  C  Y N 407 
TYR CD2  C  Y N 408 
TYR CE1  C  Y N 409 
TYR CE2  C  Y N 410 
TYR CZ   C  Y N 411 
TYR OH   O  N N 412 
TYR OXT  O  N N 413 
TYR H    H  N N 414 
TYR H2   H  N N 415 
TYR HA   H  N N 416 
TYR HB2  H  N N 417 
TYR HB3  H  N N 418 
TYR HD1  H  N N 419 
TYR HD2  H  N N 420 
TYR HE1  H  N N 421 
TYR HE2  H  N N 422 
TYR HH   H  N N 423 
TYR HXT  H  N N 424 
VAL N    N  N N 425 
VAL CA   C  N S 426 
VAL C    C  N N 427 
VAL O    O  N N 428 
VAL CB   C  N N 429 
VAL CG1  C  N N 430 
VAL CG2  C  N N 431 
VAL OXT  O  N N 432 
VAL H    H  N N 433 
VAL H2   H  N N 434 
VAL HA   H  N N 435 
VAL HB   H  N N 436 
VAL HG11 H  N N 437 
VAL HG12 H  N N 438 
VAL HG13 H  N N 439 
VAL HG21 H  N N 440 
VAL HG22 H  N N 441 
VAL HG23 H  N N 442 
VAL HXT  H  N N 443 
# 
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal 
ALA N   CA   sing N N 1   
ALA N   H    sing N N 2   
ALA N   H2   sing N N 3   
ALA CA  C    sing N N 4   
ALA CA  CB   sing N N 5   
ALA CA  HA   sing N N 6   
ALA C   O    doub N N 7   
ALA C   OXT  sing N N 8   
ALA CB  HB1  sing N N 9   
ALA CB  HB2  sing N N 10  
ALA CB  HB3  sing N N 11  
ALA OXT HXT  sing N N 12  
ARG N   CA   sing N N 13  
ARG N   H    sing N N 14  
ARG N   H2   sing N N 15  
ARG CA  C    sing N N 16  
ARG CA  CB   sing N N 17  
ARG CA  HA   sing N N 18  
ARG C   O    doub N N 19  
ARG C   OXT  sing N N 20  
ARG CB  CG   sing N N 21  
ARG CB  HB2  sing N N 22  
ARG CB  HB3  sing N N 23  
ARG CG  CD   sing N N 24  
ARG CG  HG2  sing N N 25  
ARG CG  HG3  sing N N 26  
ARG CD  NE   sing N N 27  
ARG CD  HD2  sing N N 28  
ARG CD  HD3  sing N N 29  
ARG NE  CZ   sing N N 30  
ARG NE  HE   sing N N 31  
ARG CZ  NH1  sing N N 32  
ARG CZ  NH2  doub N N 33  
ARG NH1 HH11 sing N N 34  
ARG NH1 HH12 sing N N 35  
ARG NH2 HH21 sing N N 36  
ARG NH2 HH22 sing N N 37  
ARG OXT HXT  sing N N 38  
ASN N   CA   sing N N 39  
ASN N   H    sing N N 40  
ASN N   H2   sing N N 41  
ASN CA  C    sing N N 42  
ASN CA  CB   sing N N 43  
ASN CA  HA   sing N N 44  
ASN C   O    doub N N 45  
ASN C   OXT  sing N N 46  
ASN CB  CG   sing N N 47  
ASN CB  HB2  sing N N 48  
ASN CB  HB3  sing N N 49  
ASN CG  OD1  doub N N 50  
ASN CG  ND2  sing N N 51  
ASN ND2 HD21 sing N N 52  
ASN ND2 HD22 sing N N 53  
ASN OXT HXT  sing N N 54  
ASP N   CA   sing N N 55  
ASP N   H    sing N N 56  
ASP N   H2   sing N N 57  
ASP CA  C    sing N N 58  
ASP CA  CB   sing N N 59  
ASP CA  HA   sing N N 60  
ASP C   O    doub N N 61  
ASP C   OXT  sing N N 62  
ASP CB  CG   sing N N 63  
ASP CB  HB2  sing N N 64  
ASP CB  HB3  sing N N 65  
ASP CG  OD1  doub N N 66  
ASP CG  OD2  sing N N 67  
ASP OD2 HD2  sing N N 68  
ASP OXT HXT  sing N N 69  
CYS N   CA   sing N N 70  
CYS N   H    sing N N 71  
CYS N   H2   sing N N 72  
CYS CA  C    sing N N 73  
CYS CA  CB   sing N N 74  
CYS CA  HA   sing N N 75  
CYS C   O    doub N N 76  
CYS C   OXT  sing N N 77  
CYS CB  SG   sing N N 78  
CYS CB  HB2  sing N N 79  
CYS CB  HB3  sing N N 80  
CYS SG  HG   sing N N 81  
CYS OXT HXT  sing N N 82  
EDO C1  O1   sing N N 83  
EDO C1  C2   sing N N 84  
EDO C1  H11  sing N N 85  
EDO C1  H12  sing N N 86  
EDO O1  HO1  sing N N 87  
EDO C2  O2   sing N N 88  
EDO C2  H21  sing N N 89  
EDO C2  H22  sing N N 90  
EDO O2  HO2  sing N N 91  
GLN N   CA   sing N N 92  
GLN N   H    sing N N 93  
GLN N   H2   sing N N 94  
GLN CA  C    sing N N 95  
GLN CA  CB   sing N N 96  
GLN CA  HA   sing N N 97  
GLN C   O    doub N N 98  
GLN C   OXT  sing N N 99  
GLN CB  CG   sing N N 100 
GLN CB  HB2  sing N N 101 
GLN CB  HB3  sing N N 102 
GLN CG  CD   sing N N 103 
GLN CG  HG2  sing N N 104 
GLN CG  HG3  sing N N 105 
GLN CD  OE1  doub N N 106 
GLN CD  NE2  sing N N 107 
GLN NE2 HE21 sing N N 108 
GLN NE2 HE22 sing N N 109 
GLN OXT HXT  sing N N 110 
GLU N   CA   sing N N 111 
GLU N   H    sing N N 112 
GLU N   H2   sing N N 113 
GLU CA  C    sing N N 114 
GLU CA  CB   sing N N 115 
GLU CA  HA   sing N N 116 
GLU C   O    doub N N 117 
GLU C   OXT  sing N N 118 
GLU CB  CG   sing N N 119 
GLU CB  HB2  sing N N 120 
GLU CB  HB3  sing N N 121 
GLU CG  CD   sing N N 122 
GLU CG  HG2  sing N N 123 
GLU CG  HG3  sing N N 124 
GLU CD  OE1  doub N N 125 
GLU CD  OE2  sing N N 126 
GLU OE2 HE2  sing N N 127 
GLU OXT HXT  sing N N 128 
GLY N   CA   sing N N 129 
GLY N   H    sing N N 130 
GLY N   H2   sing N N 131 
GLY CA  C    sing N N 132 
GLY CA  HA2  sing N N 133 
GLY CA  HA3  sing N N 134 
GLY C   O    doub N N 135 
GLY C   OXT  sing N N 136 
GLY OXT HXT  sing N N 137 
H2I O4  C16  sing N N 138 
H2I O5  C17  doub N N 139 
H2I C16 C17  sing N N 140 
H2I C16 C15  doub N N 141 
H2I C17 C18  sing N N 142 
H2I O6  C19  sing N N 143 
H2I C15 C6   sing N N 144 
H2I C18 C19  doub Y N 145 
H2I C18 C4   sing Y N 146 
H2I C19 C1   sing Y N 147 
H2I C6  C5   doub N N 148 
H2I C6  C7   sing N N 149 
H2I N1  C7   sing N N 150 
H2I N1  C8   sing N N 151 
H2I C4  C5   sing N N 152 
H2I C4  C3   doub Y N 153 
H2I C7  O3   doub N N 154 
H2I C1  O1   sing N N 155 
H2I C1  C2   doub Y N 156 
H2I C8  C9   sing N N 157 
H2I C3  C2   sing Y N 158 
H2I C9  C10  doub Y N 159 
H2I C9  C14  sing Y N 160 
H2I C10 C11  sing Y N 161 
H2I C14 C13  doub Y N 162 
H2I C11 C12  doub Y N 163 
H2I C13 C12  sing Y N 164 
H2I C12 O2   sing N N 165 
H2I N1  H1   sing N N 166 
H2I C5  H2   sing N N 167 
H2I C8  H3   sing N N 168 
H2I C8  H4   sing N N 169 
H2I C10 H5   sing N N 170 
H2I C13 H6   sing N N 171 
H2I C15 H7   sing N N 172 
H2I O1  H8   sing N N 173 
H2I C2  H9   sing N N 174 
H2I C3  H10  sing N N 175 
H2I C11 H11  sing N N 176 
H2I O2  H12  sing N N 177 
H2I C14 H13  sing N N 178 
H2I O4  H14  sing N N 179 
H2I O6  H15  sing N N 180 
HIS N   CA   sing N N 181 
HIS N   H    sing N N 182 
HIS N   H2   sing N N 183 
HIS CA  C    sing N N 184 
HIS CA  CB   sing N N 185 
HIS CA  HA   sing N N 186 
HIS C   O    doub N N 187 
HIS C   OXT  sing N N 188 
HIS CB  CG   sing N N 189 
HIS CB  HB2  sing N N 190 
HIS CB  HB3  sing N N 191 
HIS CG  ND1  sing Y N 192 
HIS CG  CD2  doub Y N 193 
HIS ND1 CE1  doub Y N 194 
HIS ND1 HD1  sing N N 195 
HIS CD2 NE2  sing Y N 196 
HIS CD2 HD2  sing N N 197 
HIS CE1 NE2  sing Y N 198 
HIS CE1 HE1  sing N N 199 
HIS NE2 HE2  sing N N 200 
HIS OXT HXT  sing N N 201 
HOH O   H1   sing N N 202 
HOH O   H2   sing N N 203 
ILE N   CA   sing N N 204 
ILE N   H    sing N N 205 
ILE N   H2   sing N N 206 
ILE CA  C    sing N N 207 
ILE CA  CB   sing N N 208 
ILE CA  HA   sing N N 209 
ILE C   O    doub N N 210 
ILE C   OXT  sing N N 211 
ILE CB  CG1  sing N N 212 
ILE CB  CG2  sing N N 213 
ILE CB  HB   sing N N 214 
ILE CG1 CD1  sing N N 215 
ILE CG1 HG12 sing N N 216 
ILE CG1 HG13 sing N N 217 
ILE CG2 HG21 sing N N 218 
ILE CG2 HG22 sing N N 219 
ILE CG2 HG23 sing N N 220 
ILE CD1 HD11 sing N N 221 
ILE CD1 HD12 sing N N 222 
ILE CD1 HD13 sing N N 223 
ILE OXT HXT  sing N N 224 
LEU N   CA   sing N N 225 
LEU N   H    sing N N 226 
LEU N   H2   sing N N 227 
LEU CA  C    sing N N 228 
LEU CA  CB   sing N N 229 
LEU CA  HA   sing N N 230 
LEU C   O    doub N N 231 
LEU C   OXT  sing N N 232 
LEU CB  CG   sing N N 233 
LEU CB  HB2  sing N N 234 
LEU CB  HB3  sing N N 235 
LEU CG  CD1  sing N N 236 
LEU CG  CD2  sing N N 237 
LEU CG  HG   sing N N 238 
LEU CD1 HD11 sing N N 239 
LEU CD1 HD12 sing N N 240 
LEU CD1 HD13 sing N N 241 
LEU CD2 HD21 sing N N 242 
LEU CD2 HD22 sing N N 243 
LEU CD2 HD23 sing N N 244 
LEU OXT HXT  sing N N 245 
LYS N   CA   sing N N 246 
LYS N   H    sing N N 247 
LYS N   H2   sing N N 248 
LYS CA  C    sing N N 249 
LYS CA  CB   sing N N 250 
LYS CA  HA   sing N N 251 
LYS C   O    doub N N 252 
LYS C   OXT  sing N N 253 
LYS CB  CG   sing N N 254 
LYS CB  HB2  sing N N 255 
LYS CB  HB3  sing N N 256 
LYS CG  CD   sing N N 257 
LYS CG  HG2  sing N N 258 
LYS CG  HG3  sing N N 259 
LYS CD  CE   sing N N 260 
LYS CD  HD2  sing N N 261 
LYS CD  HD3  sing N N 262 
LYS CE  NZ   sing N N 263 
LYS CE  HE2  sing N N 264 
LYS CE  HE3  sing N N 265 
LYS NZ  HZ1  sing N N 266 
LYS NZ  HZ2  sing N N 267 
LYS NZ  HZ3  sing N N 268 
LYS OXT HXT  sing N N 269 
MET N   CA   sing N N 270 
MET N   H    sing N N 271 
MET N   H2   sing N N 272 
MET CA  C    sing N N 273 
MET CA  CB   sing N N 274 
MET CA  HA   sing N N 275 
MET C   O    doub N N 276 
MET C   OXT  sing N N 277 
MET CB  CG   sing N N 278 
MET CB  HB2  sing N N 279 
MET CB  HB3  sing N N 280 
MET CG  SD   sing N N 281 
MET CG  HG2  sing N N 282 
MET CG  HG3  sing N N 283 
MET SD  CE   sing N N 284 
MET CE  HE1  sing N N 285 
MET CE  HE2  sing N N 286 
MET CE  HE3  sing N N 287 
MET OXT HXT  sing N N 288 
PHE N   CA   sing N N 289 
PHE N   H    sing N N 290 
PHE N   H2   sing N N 291 
PHE CA  C    sing N N 292 
PHE CA  CB   sing N N 293 
PHE CA  HA   sing N N 294 
PHE C   O    doub N N 295 
PHE C   OXT  sing N N 296 
PHE CB  CG   sing N N 297 
PHE CB  HB2  sing N N 298 
PHE CB  HB3  sing N N 299 
PHE CG  CD1  doub Y N 300 
PHE CG  CD2  sing Y N 301 
PHE CD1 CE1  sing Y N 302 
PHE CD1 HD1  sing N N 303 
PHE CD2 CE2  doub Y N 304 
PHE CD2 HD2  sing N N 305 
PHE CE1 CZ   doub Y N 306 
PHE CE1 HE1  sing N N 307 
PHE CE2 CZ   sing Y N 308 
PHE CE2 HE2  sing N N 309 
PHE CZ  HZ   sing N N 310 
PHE OXT HXT  sing N N 311 
PRO N   CA   sing N N 312 
PRO N   CD   sing N N 313 
PRO N   H    sing N N 314 
PRO CA  C    sing N N 315 
PRO CA  CB   sing N N 316 
PRO CA  HA   sing N N 317 
PRO C   O    doub N N 318 
PRO C   OXT  sing N N 319 
PRO CB  CG   sing N N 320 
PRO CB  HB2  sing N N 321 
PRO CB  HB3  sing N N 322 
PRO CG  CD   sing N N 323 
PRO CG  HG2  sing N N 324 
PRO CG  HG3  sing N N 325 
PRO CD  HD2  sing N N 326 
PRO CD  HD3  sing N N 327 
PRO OXT HXT  sing N N 328 
SER N   CA   sing N N 329 
SER N   H    sing N N 330 
SER N   H2   sing N N 331 
SER CA  C    sing N N 332 
SER CA  CB   sing N N 333 
SER CA  HA   sing N N 334 
SER C   O    doub N N 335 
SER C   OXT  sing N N 336 
SER CB  OG   sing N N 337 
SER CB  HB2  sing N N 338 
SER CB  HB3  sing N N 339 
SER OG  HG   sing N N 340 
SER OXT HXT  sing N N 341 
THR N   CA   sing N N 342 
THR N   H    sing N N 343 
THR N   H2   sing N N 344 
THR CA  C    sing N N 345 
THR CA  CB   sing N N 346 
THR CA  HA   sing N N 347 
THR C   O    doub N N 348 
THR C   OXT  sing N N 349 
THR CB  OG1  sing N N 350 
THR CB  CG2  sing N N 351 
THR CB  HB   sing N N 352 
THR OG1 HG1  sing N N 353 
THR CG2 HG21 sing N N 354 
THR CG2 HG22 sing N N 355 
THR CG2 HG23 sing N N 356 
THR OXT HXT  sing N N 357 
TRP N   CA   sing N N 358 
TRP N   H    sing N N 359 
TRP N   H2   sing N N 360 
TRP CA  C    sing N N 361 
TRP CA  CB   sing N N 362 
TRP CA  HA   sing N N 363 
TRP C   O    doub N N 364 
TRP C   OXT  sing N N 365 
TRP CB  CG   sing N N 366 
TRP CB  HB2  sing N N 367 
TRP CB  HB3  sing N N 368 
TRP CG  CD1  doub Y N 369 
TRP CG  CD2  sing Y N 370 
TRP CD1 NE1  sing Y N 371 
TRP CD1 HD1  sing N N 372 
TRP CD2 CE2  doub Y N 373 
TRP CD2 CE3  sing Y N 374 
TRP NE1 CE2  sing Y N 375 
TRP NE1 HE1  sing N N 376 
TRP CE2 CZ2  sing Y N 377 
TRP CE3 CZ3  doub Y N 378 
TRP CE3 HE3  sing N N 379 
TRP CZ2 CH2  doub Y N 380 
TRP CZ2 HZ2  sing N N 381 
TRP CZ3 CH2  sing Y N 382 
TRP CZ3 HZ3  sing N N 383 
TRP CH2 HH2  sing N N 384 
TRP OXT HXT  sing N N 385 
TYR N   CA   sing N N 386 
TYR N   H    sing N N 387 
TYR N   H2   sing N N 388 
TYR CA  C    sing N N 389 
TYR CA  CB   sing N N 390 
TYR CA  HA   sing N N 391 
TYR C   O    doub N N 392 
TYR C   OXT  sing N N 393 
TYR CB  CG   sing N N 394 
TYR CB  HB2  sing N N 395 
TYR CB  HB3  sing N N 396 
TYR CG  CD1  doub Y N 397 
TYR CG  CD2  sing Y N 398 
TYR CD1 CE1  sing Y N 399 
TYR CD1 HD1  sing N N 400 
TYR CD2 CE2  doub Y N 401 
TYR CD2 HD2  sing N N 402 
TYR CE1 CZ   doub Y N 403 
TYR CE1 HE1  sing N N 404 
TYR CE2 CZ   sing Y N 405 
TYR CE2 HE2  sing N N 406 
TYR CZ  OH   sing N N 407 
TYR OH  HH   sing N N 408 
TYR OXT HXT  sing N N 409 
VAL N   CA   sing N N 410 
VAL N   H    sing N N 411 
VAL N   H2   sing N N 412 
VAL CA  C    sing N N 413 
VAL CA  CB   sing N N 414 
VAL CA  HA   sing N N 415 
VAL C   O    doub N N 416 
VAL C   OXT  sing N N 417 
VAL CB  CG1  sing N N 418 
VAL CB  CG2  sing N N 419 
VAL CB  HB   sing N N 420 
VAL CG1 HG11 sing N N 421 
VAL CG1 HG12 sing N N 422 
VAL CG1 HG13 sing N N 423 
VAL CG2 HG21 sing N N 424 
VAL CG2 HG22 sing N N 425 
VAL CG2 HG23 sing N N 426 
VAL OXT HXT  sing N N 427 
# 
_pdbx_audit_support.funding_organization   'European Union (EU)' 
_pdbx_audit_support.country                'European Union' 
_pdbx_audit_support.grant_number           LX22NPO5103 
_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   7NUG 
_pdbx_initial_refinement_model.details          ? 
# 
_atom_sites.entry_id                    8PUP 
_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]   0.013523 
_atom_sites.fract_transf_matrix[1][2]   0.007807 
_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]   0.015615 
_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]   0.007898 
_atom_sites.fract_transf_vector[1]      0.00000 
_atom_sites.fract_transf_vector[2]      0.00000 
_atom_sites.fract_transf_vector[3]      0.00000 
_atom_sites.solution_primary            ? 
_atom_sites.solution_secondary          ? 
_atom_sites.solution_hydrogens          ? 
_atom_sites.special_details             ? 
# 
loop_
_atom_type.symbol 
C  
MG 
MN 
N  
O  
S  
# 
loop_
_atom_site.group_PDB 
_atom_site.id 
_atom_site.type_symbol 
_atom_site.label_atom_id 
_atom_site.label_alt_id 
_atom_site.label_comp_id 
_atom_site.label_asym_id 
_atom_site.label_entity_id 
_atom_site.label_seq_id 
_atom_site.pdbx_PDB_ins_code 
_atom_site.Cartn_x 
_atom_site.Cartn_y 
_atom_site.Cartn_z 
_atom_site.occupancy 
_atom_site.B_iso_or_equiv 
_atom_site.pdbx_formal_charge 
_atom_site.auth_seq_id 
_atom_site.auth_comp_id 
_atom_site.auth_asym_id 
_atom_site.auth_atom_id 
_atom_site.pdbx_PDB_model_num 
ATOM   1    N  N   . SER A 1 5   ? 36.187 16.336 21.814  0.75 64.95  ? -4  SER A N   1 
ATOM   2    C  CA  . SER A 1 5   ? 34.913 17.019 22.168  0.75 62.59  ? -4  SER A CA  1 
ATOM   3    C  C   . SER A 1 5   ? 33.853 15.965 22.486  0.75 60.13  ? -4  SER A C   1 
ATOM   4    O  O   . SER A 1 5   ? 33.259 15.392 21.575  0.75 55.47  ? -4  SER A O   1 
ATOM   5    C  CB  . SER A 1 5   ? 34.472 17.963 21.068  0.75 68.83  ? -4  SER A CB  1 
ATOM   6    O  OG  . SER A 1 5   ? 33.241 18.613 21.396  0.75 64.62  ? -4  SER A OG  1 
ATOM   7    N  N   . GLY A 1 6   ? 33.682 15.678 23.785  0.75 51.65  ? -3  GLY A N   1 
ATOM   8    C  CA  . GLY A 1 6   ? 32.598 14.845 24.280  0.75 55.54  ? -3  GLY A CA  1 
ATOM   9    C  C   . GLY A 1 6   ? 33.106 13.679 25.128  0.75 59.39  ? -3  GLY A C   1 
ATOM   10   O  O   . GLY A 1 6   ? 34.301 13.393 25.159  0.75 58.96  ? -3  GLY A O   1 
ATOM   11   N  N   . SER A 1 7   ? 32.170 12.975 25.773  0.50 55.54  ? -2  SER A N   1 
ATOM   12   C  CA  . SER A 1 7   ? 32.510 11.972 26.768  0.50 58.89  ? -2  SER A CA  1 
ATOM   13   C  C   . SER A 1 7   ? 32.528 10.579 26.145  0.50 61.40  ? -2  SER A C   1 
ATOM   14   O  O   . SER A 1 7   ? 31.967 10.349 25.079  0.50 50.89  ? -2  SER A O   1 
ATOM   15   C  CB  . SER A 1 7   ? 31.543 12.026 27.924  0.50 56.66  ? -2  SER A CB  1 
ATOM   16   N  N   . GLY A 1 8   ? 33.155 9.642  26.861  0.75 65.38  ? -1  GLY A N   1 
ATOM   17   C  CA  . GLY A 1 8   ? 33.047 8.230  26.540  0.75 68.99  ? -1  GLY A CA  1 
ATOM   18   C  C   . GLY A 1 8   ? 31.642 7.698  26.809  0.75 66.86  ? -1  GLY A C   1 
ATOM   19   O  O   . GLY A 1 8   ? 31.261 6.667  26.264  0.75 59.20  ? -1  GLY A O   1 
ATOM   20   N  N   . SER A 1 9   ? 30.892 8.400  27.675  1.00 63.97  ? 0   SER A N   1 
ATOM   21   C  CA  . SER A 1 9   ? 29.490 8.092  27.909  1.00 58.15  ? 0   SER A CA  1 
ATOM   22   C  C   . SER A 1 9   ? 28.681 8.375  26.645  1.00 44.99  ? 0   SER A C   1 
ATOM   23   O  O   . SER A 1 9   ? 27.748 7.645  26.367  1.00 43.62  ? 0   SER A O   1 
ATOM   24   C  CB  . SER A 1 9   ? 28.913 8.854  29.080  1.00 59.34  ? 0   SER A CB  1 
ATOM   25   O  OG  . SER A 1 9   ? 29.829 8.885  30.160  1.00 79.11  ? 0   SER A OG  1 
ATOM   26   N  N   . MET A 1 10  ? 29.038 9.430  25.907  1.00 45.86  ? 1   MET A N   1 
ATOM   27   C  CA  . MET A 1 10  ? 28.393 9.722  24.636  1.00 50.20  ? 1   MET A CA  1 
ATOM   28   C  C   . MET A 1 10  ? 28.702 8.635  23.594  1.00 51.19  ? 1   MET A C   1 
ATOM   29   O  O   . MET A 1 10  ? 27.819 8.258  22.831  1.00 52.34  ? 1   MET A O   1 
ATOM   30   C  CB  . MET A 1 10  ? 28.820 11.084 24.091  1.00 44.10  ? 1   MET A CB  1 
ATOM   31   C  CG  . MET A 1 10  ? 28.303 11.336 22.680  1.00 44.97  ? 1   MET A CG  1 
ATOM   32   S  SD  . MET A 1 10  ? 26.481 11.336 22.517  1.00 46.56  ? 1   MET A SD  1 
ATOM   33   C  CE  . MET A 1 10  ? 26.261 13.110 22.483  1.00 45.00  ? 1   MET A CE  1 
ATOM   34   N  N   . GLU A 1 11  ? 29.930 8.091  23.592  1.00 54.49  ? 2   GLU A N   1 
ATOM   35   C  CA  . GLU A 1 11  ? 30.269 6.964  22.729  1.00 52.51  ? 2   GLU A CA  1 
ATOM   36   C  C   . GLU A 1 11  ? 29.340 5.791  23.035  1.00 50.72  ? 2   GLU A C   1 
ATOM   37   O  O   . GLU A 1 11  ? 28.768 5.165  22.140  1.00 46.67  ? 2   GLU A O   1 
ATOM   38   C  CB  . GLU A 1 11  ? 31.737 6.544  22.892  1.00 53.43  ? 2   GLU A CB  1 
ATOM   39   C  CG  . GLU A 1 11  ? 32.185 5.521  21.852  1.00 53.25  ? 2   GLU A CG  1 
ATOM   40   C  CD  . GLU A 1 11  ? 33.480 4.761  22.128  1.00 56.13  ? 2   GLU A CD  1 
ATOM   41   O  OE1 . GLU A 1 11  ? 34.210 5.160  23.035  1.00 51.50  ? 2   GLU A OE1 1 
ATOM   42   O  OE2 . GLU A 1 11  ? 33.744 3.739  21.441  1.00 50.59  ? 2   GLU A OE2 1 
ATOM   43   N  N   . ASP A 1 12  ? 29.188 5.505  24.327  1.00 50.02  ? 3   ASP A N   1 
ATOM   44   C  CA  . ASP A 1 12  ? 28.320 4.439  24.797  1.00 49.09  ? 3   ASP A CA  1 
ATOM   45   C  C   . ASP A 1 12  ? 26.885 4.696  24.349  1.00 44.00  ? 3   ASP A C   1 
ATOM   46   O  O   . ASP A 1 12  ? 26.211 3.775  23.911  1.00 47.10  ? 3   ASP A O   1 
ATOM   47   C  CB  . ASP A 1 12  ? 28.438 4.286  26.317  1.00 59.30  ? 3   ASP A CB  1 
ATOM   48   C  CG  . ASP A 1 12  ? 29.830 3.847  26.747  1.00 65.77  ? 3   ASP A CG  1 
ATOM   49   O  OD1 . ASP A 1 12  ? 30.335 2.866  26.163  1.00 68.17  ? 3   ASP A OD1 1 
ATOM   50   O  OD2 . ASP A 1 12  ? 30.403 4.488  27.657  1.00 76.54  ? 3   ASP A OD2 1 
ATOM   51   N  N   . PHE A 1 13  ? 26.430 5.951  24.434  1.00 40.51  ? 4   PHE A N   1 
ATOM   52   C  CA  . PHE A 1 13  ? 25.093 6.306  23.988  1.00 44.75  ? 4   PHE A CA  1 
ATOM   53   C  C   . PHE A 1 13  ? 24.931 5.967  22.501  1.00 40.58  ? 4   PHE A C   1 
ATOM   54   O  O   . PHE A 1 13  ? 23.955 5.316  22.119  1.00 42.27  ? 4   PHE A O   1 
ATOM   55   C  CB  . PHE A 1 13  ? 24.792 7.785  24.265  1.00 39.40  ? 4   PHE A CB  1 
ATOM   56   C  CG  . PHE A 1 13  ? 23.538 8.286  23.583  1.00 43.95  ? 4   PHE A CG  1 
ATOM   57   C  CD1 . PHE A 1 13  ? 22.280 7.907  24.028  1.00 46.98  ? 4   PHE A CD1 1 
ATOM   58   C  CD2 . PHE A 1 13  ? 23.609 9.111  22.470  1.00 41.69  ? 4   PHE A CD2 1 
ATOM   59   C  CE1 . PHE A 1 13  ? 21.135 8.326  23.366  1.00 45.24  ? 4   PHE A CE1 1 
ATOM   60   C  CE2 . PHE A 1 13  ? 22.464 9.525  21.812  1.00 40.29  ? 4   PHE A CE2 1 
ATOM   61   C  CZ  . PHE A 1 13  ? 21.227 9.144  22.265  1.00 43.88  ? 4   PHE A CZ  1 
ATOM   62   N  N   . VAL A 1 14  ? 25.884 6.421  21.675  1.00 46.03  ? 5   VAL A N   1 
ATOM   63   C  CA  . VAL A 1 14  ? 25.822 6.231  20.227  1.00 42.52  ? 5   VAL A CA  1 
ATOM   64   C  C   . VAL A 1 14  ? 25.675 4.747  19.909  1.00 36.97  ? 5   VAL A C   1 
ATOM   65   O  O   . VAL A 1 14  ? 24.840 4.363  19.101  1.00 42.69  ? 5   VAL A O   1 
ATOM   66   C  CB  . VAL A 1 14  ? 27.049 6.841  19.513  1.00 39.45  ? 5   VAL A CB  1 
ATOM   67   C  CG1 . VAL A 1 14  ? 27.135 6.442  18.037  1.00 39.16  ? 5   VAL A CG1 1 
ATOM   68   C  CG2 . VAL A 1 14  ? 27.081 8.353  19.634  1.00 33.84  ? 5   VAL A CG2 1 
ATOM   69   N  N   . ARG A 1 15  ? 26.478 3.910  20.560  1.00 39.87  ? 6   ARG A N   1 
ATOM   70   C  CA  . ARG A 1 15  ? 26.507 2.491  20.248  1.00 45.18  ? 6   ARG A CA  1 
ATOM   71   C  C   . ARG A 1 15  ? 25.222 1.811  20.726  1.00 41.32  ? 6   ARG A C   1 
ATOM   72   O  O   . ARG A 1 15  ? 24.842 0.778  20.186  1.00 38.78  ? 6   ARG A O   1 
ATOM   73   C  CB  . ARG A 1 15  ? 27.773 1.839  20.825  1.00 47.26  ? 6   ARG A CB  1 
ATOM   74   C  CG  . ARG A 1 15  ? 29.080 2.393  20.269  1.00 44.00  ? 6   ARG A CG  1 
ATOM   75   C  CD  . ARG A 1 15  ? 30.311 1.657  20.781  1.00 43.28  ? 6   ARG A CD  1 
ATOM   76   N  NE  . ARG A 1 15  ? 31.559 2.211  20.280  1.00 43.20  ? 6   ARG A NE  1 
ATOM   77   C  CZ  . ARG A 1 15  ? 31.999 2.098  19.019  1.00 44.61  ? 6   ARG A CZ  1 
ATOM   78   N  NH1 . ARG A 1 15  ? 31.367 1.342  18.133  1.00 40.91  ? 6   ARG A NH1 1 
ATOM   79   N  NH2 . ARG A 1 15  ? 33.102 2.726  18.660  1.00 41.74  ? 6   ARG A NH2 1 
ATOM   80   N  N   . GLN A 1 16  ? 24.531 2.415  21.694  1.00 43.50  ? 7   GLN A N   1 
ATOM   81   C  CA  . GLN A 1 16  ? 23.278 1.887  22.220  1.00 45.38  ? 7   GLN A CA  1 
ATOM   82   C  C   . GLN A 1 16  ? 22.090 2.433  21.430  1.00 42.21  ? 7   GLN A C   1 
ATOM   83   O  O   . GLN A 1 16  ? 21.101 1.725  21.253  1.00 49.64  ? 7   GLN A O   1 
ATOM   84   C  CB  . GLN A 1 16  ? 23.133 2.260  23.707  1.00 56.26  ? 7   GLN A CB  1 
ATOM   85   C  CG  . GLN A 1 16  ? 24.174 1.613  24.613  1.00 64.20  ? 7   GLN A CG  1 
ATOM   86   C  CD  . GLN A 1 16  ? 24.320 2.214  26.000  1.00 71.10  ? 7   GLN A CD  1 
ATOM   87   O  OE1 . GLN A 1 16  ? 23.533 3.041  26.454  1.00 62.46  ? 7   GLN A OE1 1 
ATOM   88   N  NE2 . GLN A 1 16  ? 25.362 1.792  26.702  1.00 71.38  ? 7   GLN A NE2 1 
ATOM   89   N  N   . CYS A 1 17  ? 22.179 3.689  20.962  1.00 41.44  ? 8   CYS A N   1 
ATOM   90   C  CA  . CYS A 1 17  ? 21.034 4.375  20.362  1.00 43.26  ? 8   CYS A CA  1 
ATOM   91   C  C   . CYS A 1 17  ? 20.855 3.988  18.887  1.00 41.68  ? 8   CYS A C   1 
ATOM   92   O  O   . CYS A 1 17  ? 19.738 3.867  18.424  1.00 37.14  ? 8   CYS A O   1 
ATOM   93   C  CB  . CYS A 1 17  ? 21.168 5.893  20.508  1.00 44.97  ? 8   CYS A CB  1 
ATOM   94   S  SG  . CYS A 1 17  ? 19.848 6.888  19.740  0.78 44.28  ? 8   CYS A SG  1 
ATOM   95   N  N   . PHE A 1 18  ? 21.949 3.807  18.130  1.00 45.01  ? 9   PHE A N   1 
ATOM   96   C  CA  . PHE A 1 18  ? 21.854 3.690  16.677  1.00 38.38  ? 9   PHE A CA  1 
ATOM   97   C  C   . PHE A 1 18  ? 22.186 2.274  16.236  1.00 38.71  ? 9   PHE A C   1 
ATOM   98   O  O   . PHE A 1 18  ? 23.061 1.636  16.828  1.00 35.34  ? 9   PHE A O   1 
ATOM   99   C  CB  . PHE A 1 18  ? 22.811 4.683  16.018  1.00 38.77  ? 9   PHE A CB  1 
ATOM   100  C  CG  . PHE A 1 18  ? 22.471 6.126  16.275  1.00 35.37  ? 9   PHE A CG  1 
ATOM   101  C  CD1 . PHE A 1 18  ? 21.410 6.731  15.624  1.00 36.76  ? 9   PHE A CD1 1 
ATOM   102  C  CD2 . PHE A 1 18  ? 23.208 6.881  17.168  1.00 38.95  ? 9   PHE A CD2 1 
ATOM   103  C  CE1 . PHE A 1 18  ? 21.093 8.063  15.863  1.00 35.83  ? 9   PHE A CE1 1 
ATOM   104  C  CE2 . PHE A 1 18  ? 22.887 8.209  17.411  1.00 38.82  ? 9   PHE A CE2 1 
ATOM   105  C  CZ  . PHE A 1 18  ? 21.842 8.797  16.755  1.00 35.14  ? 9   PHE A CZ  1 
ATOM   106  N  N   . ASN A 1 19  ? 21.532 1.810  15.164  1.00 37.04  ? 10  ASN A N   1 
ATOM   107  C  CA  . ASN A 1 19  ? 21.741 0.439  14.724  1.00 39.24  ? 10  ASN A CA  1 
ATOM   108  C  C   . ASN A 1 19  ? 23.167 0.269  14.197  1.00 36.48  ? 10  ASN A C   1 
ATOM   109  O  O   . ASN A 1 19  ? 23.786 1.211  13.704  1.00 33.93  ? 10  ASN A O   1 
ATOM   110  C  CB  . ASN A 1 19  ? 20.691 -0.047 13.728  1.00 43.91  ? 10  ASN A CB  1 
ATOM   111  C  CG  . ASN A 1 19  ? 20.843 0.475  12.320  1.00 51.33  ? 10  ASN A CG  1 
ATOM   112  O  OD1 . ASN A 1 19  ? 21.914 0.367  11.709  1.00 51.67  ? 10  ASN A OD1 1 
ATOM   113  N  ND2 . ASN A 1 19  ? 19.751 1.004  11.785  1.00 51.66  ? 10  ASN A ND2 1 
ATOM   114  N  N   . PRO A 1 20  ? 23.720 -0.949 14.303  1.00 34.16  ? 11  PRO A N   1 
ATOM   115  C  CA  . PRO A 1 20  ? 25.114 -1.192 13.944  1.00 35.99  ? 11  PRO A CA  1 
ATOM   116  C  C   . PRO A 1 20  ? 25.533 -0.773 12.537  1.00 33.21  ? 11  PRO A C   1 
ATOM   117  O  O   . PRO A 1 20  ? 26.687 -0.423 12.343  1.00 33.47  ? 11  PRO A O   1 
ATOM   118  C  CB  . PRO A 1 20  ? 25.247 -2.718 14.093  1.00 38.58  ? 11  PRO A CB  1 
ATOM   119  C  CG  . PRO A 1 20  ? 24.205 -3.066 15.169  1.00 37.09  ? 11  PRO A CG  1 
ATOM   120  C  CD  . PRO A 1 20  ? 23.045 -2.153 14.828  1.00 34.83  ? 11  PRO A CD  1 
ATOM   121  N  N   . MET A 1 21  ? 24.610 -0.804 11.569  1.00 31.55  ? 12  MET A N   1 
ATOM   122  C  CA  . MET A 1 21  ? 24.942 -0.415 10.199  1.00 35.41  ? 12  MET A CA  1 
ATOM   123  C  C   . MET A 1 21  ? 25.267 1.079  10.125  1.00 33.38  ? 12  MET A C   1 
ATOM   124  O  O   . MET A 1 21  ? 26.252 1.475  9.508   1.00 32.91  ? 12  MET A O   1 
ATOM   125  C  CB  . MET A 1 21  ? 23.804 -0.756 9.231   1.00 39.22  ? 12  MET A CB  1 
ATOM   126  C  CG  . MET A 1 21  ? 23.938 -0.058 7.883   1.00 52.19  ? 12  MET A CG  1 
ATOM   127  S  SD  . MET A 1 21  ? 22.657 -0.439 6.679   0.51 55.64  ? 12  MET A SD  1 
ATOM   128  C  CE  . MET A 1 21  ? 21.370 0.632  7.312   1.00 65.36  ? 12  MET A CE  1 
ATOM   129  N  N   . ILE A 1 22  ? 24.458 1.908  10.797  1.00 31.23  ? 13  ILE A N   1 
ATOM   130  C  CA  . ILE A 1 22  ? 24.708 3.326  10.880  1.00 29.88  ? 13  ILE A CA  1 
ATOM   131  C  C   . ILE A 1 22  ? 26.016 3.600  11.634  1.00 29.84  ? 13  ILE A C   1 
ATOM   132  O  O   . ILE A 1 22  ? 26.805 4.445  11.230  1.00 29.56  ? 13  ILE A O   1 
ATOM   133  C  CB  . ILE A 1 22  ? 23.484 4.007  11.536  1.00 30.59  ? 13  ILE A CB  1 
ATOM   134  C  CG1 . ILE A 1 22  ? 22.290 3.978  10.585  1.00 34.85  ? 13  ILE A CG1 1 
ATOM   135  C  CG2 . ILE A 1 22  ? 23.812 5.409  12.001  1.00 32.63  ? 13  ILE A CG2 1 
ATOM   136  C  CD1 . ILE A 1 22  ? 21.012 4.509  11.168  1.00 41.70  ? 13  ILE A CD1 1 
ATOM   137  N  N   . VAL A 1 23  ? 26.211 2.950  12.781  1.00 30.68  ? 14  VAL A N   1 
ATOM   138  C  CA  . VAL A 1 23  ? 27.413 3.138  13.563  1.00 29.88  ? 14  VAL A CA  1 
ATOM   139  C  C   . VAL A 1 23  ? 28.667 2.776  12.750  1.00 30.24  ? 14  VAL A C   1 
ATOM   140  O  O   . VAL A 1 23  ? 29.650 3.497  12.774  1.00 29.09  ? 14  VAL A O   1 
ATOM   141  C  CB  . VAL A 1 23  ? 27.344 2.333  14.861  1.00 33.24  ? 14  VAL A CB  1 
ATOM   142  C  CG1 . VAL A 1 23  ? 28.682 2.376  15.584  1.00 31.03  ? 14  VAL A CG1 1 
ATOM   143  C  CG2 . VAL A 1 23  ? 26.198 2.834  15.739  1.00 34.59  ? 14  VAL A CG2 1 
ATOM   144  N  N   . GLU A 1 24  ? 28.638 1.688  11.992  1.00 30.33  ? 15  GLU A N   1 
ATOM   145  C  CA  . GLU A 1 24  ? 29.799 1.301  11.194  1.00 32.34  ? 15  GLU A CA  1 
ATOM   146  C  C   . GLU A 1 24  ? 30.111 2.360  10.120  1.00 29.37  ? 15  GLU A C   1 
ATOM   147  O  O   . GLU A 1 24  ? 31.271 2.724  9.932   1.00 32.64  ? 15  GLU A O   1 
ATOM   148  C  CB  . GLU A 1 24  ? 29.592 -0.078 10.567  1.00 33.45  ? 15  GLU A CB  1 
ATOM   149  C  CG  . GLU A 1 24  ? 30.791 -0.504 9.697   1.00 34.70  ? 15  GLU A CG  1 
ATOM   150  C  CD  . GLU A 1 24  ? 32.067 -0.756 10.483  1.00 36.87  ? 15  GLU A CD  1 
ATOM   151  O  OE1 . GLU A 1 24  ? 31.977 -1.143 11.668  1.00 38.68  ? 15  GLU A OE1 1 
ATOM   152  O  OE2 . GLU A 1 24  ? 33.150 -0.603 9.893   1.00 43.63  ? 15  GLU A OE2 1 
ATOM   153  N  N   . LEU A 1 25  ? 29.083 2.837  9.412   1.00 30.94  ? 16  LEU A N   1 
ATOM   154  C  CA  . LEU A 1 25  ? 29.223 3.891  8.415   1.00 32.32  ? 16  LEU A CA  1 
ATOM   155  C  C   . LEU A 1 25  ? 29.797 5.172  9.011   1.00 32.95  ? 16  LEU A C   1 
ATOM   156  O  O   . LEU A 1 25  ? 30.664 5.796  8.404   1.00 30.18  ? 16  LEU A O   1 
ATOM   157  C  CB  . LEU A 1 25  ? 27.849 4.161  7.797   1.00 33.07  ? 16  LEU A CB  1 
ATOM   158  C  CG  . LEU A 1 25  ? 27.335 3.081  6.846   1.00 34.77  ? 16  LEU A CG  1 
ATOM   159  C  CD1 . LEU A 1 25  ? 25.934 3.425  6.448   1.00 34.53  ? 16  LEU A CD1 1 
ATOM   160  C  CD2 . LEU A 1 25  ? 28.230 2.935  5.606   1.00 37.38  ? 16  LEU A CD2 1 
ATOM   161  N  N   . ALA A 1 26  ? 29.306 5.565  10.198  1.00 29.39  ? 17  ALA A N   1 
ATOM   162  C  CA  . ALA A 1 26  ? 29.793 6.759  10.869  1.00 31.72  ? 17  ALA A CA  1 
ATOM   163  C  C   . ALA A 1 26  ? 31.274 6.601  11.219  1.00 30.04  ? 17  ALA A C   1 
ATOM   164  O  O   . ALA A 1 26  ? 32.054 7.525  11.026  1.00 32.13  ? 17  ALA A O   1 
ATOM   165  C  CB  . ALA A 1 26  ? 28.975 7.068  12.114  1.00 31.48  ? 17  ALA A CB  1 
ATOM   166  N  N   . GLU A 1 27  ? 31.658 5.445  11.758  1.00 31.66  ? 18  GLU A N   1 
ATOM   167  C  CA  . GLU A 1 27  ? 33.047 5.240  12.156  1.00 31.74  ? 18  GLU A CA  1 
ATOM   168  C  C   . GLU A 1 27  ? 33.940 5.321  10.921  1.00 34.03  ? 18  GLU A C   1 
ATOM   169  O  O   . GLU A 1 27  ? 34.975 5.973  10.972  1.00 31.18  ? 18  GLU A O   1 
ATOM   170  C  CB  . GLU A 1 27  ? 33.242 3.910  12.868  1.00 36.49  ? 18  GLU A CB  1 
ATOM   171  C  CG  . GLU A 1 27  ? 32.678 3.920  14.274  1.00 42.94  ? 18  GLU A CG  1 
ATOM   172  C  CD  . GLU A 1 27  ? 33.137 2.760  15.140  1.00 42.49  ? 18  GLU A CD  1 
ATOM   173  O  OE1 . GLU A 1 27  ? 32.518 1.708  15.084  1.00 43.90  ? 18  GLU A OE1 1 
ATOM   174  O  OE2 . GLU A 1 27  ? 34.131 2.933  15.850  1.00 46.35  ? 18  GLU A OE2 1 
ATOM   175  N  N   . LYS A 1 28  ? 33.481 4.756  9.792   1.00 31.81  ? 19  LYS A N   1 
ATOM   176  C  CA  . LYS A 1 28  ? 34.257 4.817  8.558   1.00 31.13  ? 19  LYS A CA  1 
ATOM   177  C  C   . LYS A 1 28  ? 34.437 6.262  8.075   1.00 29.65  ? 19  LYS A C   1 
ATOM   178  O  O   . LYS A 1 28  ? 35.525 6.679  7.679   1.00 30.95  ? 19  LYS A O   1 
ATOM   179  C  CB  . LYS A 1 28  ? 33.580 3.937  7.507   1.00 35.27  ? 19  LYS A CB  1 
ATOM   180  C  CG  . LYS A 1 28  ? 34.328 3.792  6.184   1.00 41.48  ? 19  LYS A CG  1 
ATOM   181  C  CD  . LYS A 1 28  ? 33.583 2.926  5.153   1.00 39.59  ? 19  LYS A CD  1 
ATOM   182  C  CE  . LYS A 1 28  ? 34.419 2.529  3.955   0.50 38.03  ? 19  LYS A CE  1 
ATOM   183  N  NZ  . LYS A 1 28  ? 35.445 1.526  4.315   0.50 39.83  ? 19  LYS A NZ  1 
ATOM   184  N  N   . ALA A 1 29  ? 33.356 7.038  8.046   1.00 30.97  ? 20  ALA A N   1 
ATOM   185  C  CA  . ALA A 1 29  ? 33.424 8.420  7.590   1.00 31.95  ? 20  ALA A CA  1 
ATOM   186  C  C   . ALA A 1 29  ? 34.442 9.211  8.409   1.00 32.17  ? 20  ALA A C   1 
ATOM   187  O  O   . ALA A 1 29  ? 35.256 9.955  7.855   1.00 34.20  ? 20  ALA A O   1 
ATOM   188  C  CB  . ALA A 1 29  ? 32.059 9.043  7.662   1.00 31.33  ? 20  ALA A CB  1 
ATOM   189  N  N   . MET A 1 30  ? 34.432 9.013  9.728   1.00 28.74  ? 21  MET A N   1 
ATOM   190  C  CA  . MET A 1 30  ? 35.306 9.773  10.607  1.00 34.00  ? 21  MET A CA  1 
ATOM   191  C  C   . MET A 1 30  ? 36.773 9.384  10.375  1.00 33.82  ? 21  MET A C   1 
ATOM   192  O  O   . MET A 1 30  ? 37.664 10.233 10.310  1.00 31.68  ? 21  MET A O   1 
ATOM   193  C  CB  . MET A 1 30  ? 34.925 9.514  12.070  1.00 33.94  ? 21  MET A CB  1 
ATOM   194  C  CG  . MET A 1 30  ? 33.592 10.160 12.449  1.00 37.18  ? 21  MET A CG  1 
ATOM   195  S  SD  . MET A 1 30  ? 33.194 10.066 14.195  0.96 36.45  ? 21  MET A SD  1 
ATOM   196  C  CE  . MET A 1 30  ? 34.315 11.337 14.795  1.00 36.77  ? 21  MET A CE  1 
ATOM   197  N  N   . LYS A 1 31  ? 37.032 8.078  10.272  1.00 32.42  ? 22  LYS A N   1 
ATOM   198  C  CA  . LYS A 1 31  ? 38.394 7.588  10.093  1.00 35.78  ? 22  LYS A CA  1 
ATOM   199  C  C   . LYS A 1 31  ? 38.951 8.021  8.738   1.00 32.00  ? 22  LYS A C   1 
ATOM   200  O  O   . LYS A 1 31  ? 40.156 8.262  8.594   1.00 32.03  ? 22  LYS A O   1 
ATOM   201  C  CB  . LYS A 1 31  ? 38.430 6.074  10.316  1.00 39.22  ? 22  LYS A CB  1 
ATOM   202  C  CG  . LYS A 1 31  ? 38.203 5.649  11.762  1.00 38.14  ? 22  LYS A CG  1 
ATOM   203  C  CD  . LYS A 1 31  ? 37.960 4.189  11.937  1.00 41.29  ? 22  LYS A CD  1 
ATOM   204  C  CE  . LYS A 1 31  ? 39.222 3.368  11.754  1.00 45.65  ? 22  LYS A CE  1 
ATOM   205  N  NZ  . LYS A 1 31  ? 38.893 1.924  11.704  1.00 49.34  ? 22  LYS A NZ  1 
ATOM   206  N  N   . GLU A 1 32  ? 38.063 8.180  7.757   1.00 32.54  ? 23  GLU A N   1 
ATOM   207  C  CA  . GLU A 1 32  ? 38.459 8.679  6.454   1.00 33.83  ? 23  GLU A CA  1 
ATOM   208  C  C   . GLU A 1 32  ? 39.016 10.103 6.532   1.00 36.66  ? 23  GLU A C   1 
ATOM   209  O  O   . GLU A 1 32  ? 39.741 10.507 5.618   1.00 33.24  ? 23  GLU A O   1 
ATOM   210  C  CB  . GLU A 1 32  ? 37.305 8.545  5.464   1.00 31.37  ? 23  GLU A CB  1 
ATOM   211  C  CG  . GLU A 1 32  ? 37.109 7.141  4.931   1.00 32.25  ? 23  GLU A CG  1 
ATOM   212  C  CD  . GLU A 1 32  ? 35.964 7.047  3.919   1.00 35.50  ? 23  GLU A CD  1 
ATOM   213  O  OE1 . GLU A 1 32  ? 35.215 8.037  3.751   1.00 39.23  ? 23  GLU A OE1 1 
ATOM   214  O  OE2 . GLU A 1 32  ? 35.853 6.016  3.269   1.00 33.24  ? 23  GLU A OE2 1 
ATOM   215  N  N   . TYR A 1 33  ? 38.706 10.873 7.597   1.00 37.01  ? 24  TYR A N   1 
ATOM   216  C  CA  . TYR A 1 33  ? 39.300 12.198 7.722   1.00 40.41  ? 24  TYR A CA  1 
ATOM   217  C  C   . TYR A 1 33  ? 40.227 12.250 8.925   1.00 39.54  ? 24  TYR A C   1 
ATOM   218  O  O   . TYR A 1 33  ? 40.609 13.328 9.345   1.00 41.54  ? 24  TYR A O   1 
ATOM   219  C  CB  . TYR A 1 33  ? 38.233 13.297 7.685   1.00 47.44  ? 24  TYR A CB  1 
ATOM   220  C  CG  . TYR A 1 33  ? 37.769 13.508 6.253   1.00 51.83  ? 24  TYR A CG  1 
ATOM   221  C  CD1 . TYR A 1 33  ? 36.926 12.593 5.643   1.00 58.03  ? 24  TYR A CD1 1 
ATOM   222  C  CD2 . TYR A 1 33  ? 38.243 14.567 5.488   1.00 56.26  ? 24  TYR A CD2 1 
ATOM   223  C  CE1 . TYR A 1 33  ? 36.527 12.745 4.326   1.00 64.19  ? 24  TYR A CE1 1 
ATOM   224  C  CE2 . TYR A 1 33  ? 37.861 14.730 4.166   1.00 59.57  ? 24  TYR A CE2 1 
ATOM   225  C  CZ  . TYR A 1 33  ? 36.998 13.813 3.584   1.00 66.12  ? 24  TYR A CZ  1 
ATOM   226  O  OH  . TYR A 1 33  ? 36.561 13.916 2.294   1.00 66.11  ? 24  TYR A OH  1 
ATOM   227  N  N   . GLY A 1 34  ? 40.678 11.078 9.375   1.00 35.87  ? 25  GLY A N   1 
ATOM   228  C  CA  . GLY A 1 34  ? 41.669 10.960 10.422  1.00 37.75  ? 25  GLY A CA  1 
ATOM   229  C  C   . GLY A 1 34  ? 41.138 11.334 11.809  1.00 37.98  ? 25  GLY A C   1 
ATOM   230  O  O   . GLY A 1 34  ? 41.931 11.704 12.654  1.00 39.86  ? 25  GLY A O   1 
ATOM   231  N  N   . GLU A 1 35  ? 39.826 11.212 12.044  1.00 39.11  ? 26  GLU A N   1 
ATOM   232  C  CA  . GLU A 1 35  ? 39.257 11.443 13.366  1.00 41.15  ? 26  GLU A CA  1 
ATOM   233  C  C   . GLU A 1 35  ? 38.867 10.123 14.012  1.00 44.07  ? 26  GLU A C   1 
ATOM   234  O  O   . GLU A 1 35  ? 38.494 9.173  13.332  1.00 45.20  ? 26  GLU A O   1 
ATOM   235  C  CB  . GLU A 1 35  ? 38.048 12.371 13.267  1.00 42.73  ? 26  GLU A CB  1 
ATOM   236  C  CG  . GLU A 1 35  ? 38.391 13.753 12.726  1.00 45.03  ? 26  GLU A CG  1 
ATOM   237  C  CD  . GLU A 1 35  ? 37.261 14.764 12.801  1.00 52.57  ? 26  GLU A CD  1 
ATOM   238  O  OE1 . GLU A 1 35  ? 36.156 14.376 13.191  1.00 63.21  ? 26  GLU A OE1 1 
ATOM   239  O  OE2 . GLU A 1 35  ? 37.495 15.941 12.502  1.00 54.71  ? 26  GLU A OE2 1 
ATOM   240  N  N   . ASP A 1 36  ? 38.938 10.084 15.343  1.00 46.35  ? 27  ASP A N   1 
ATOM   241  C  CA  . ASP A 1 36  ? 38.665 8.885  16.125  1.00 44.35  ? 27  ASP A CA  1 
ATOM   242  C  C   . ASP A 1 36  ? 37.291 9.062  16.751  1.00 43.41  ? 27  ASP A C   1 
ATOM   243  O  O   . ASP A 1 36  ? 37.072 10.016 17.508  1.00 44.14  ? 27  ASP A O   1 
ATOM   244  C  CB  . ASP A 1 36  ? 39.745 8.676  17.201  1.00 49.37  ? 27  ASP A CB  1 
ATOM   245  C  CG  . ASP A 1 36  ? 39.681 7.388  18.015  1.00 52.39  ? 27  ASP A CG  1 
ATOM   246  O  OD1 . ASP A 1 36  ? 38.708 6.620  17.877  1.00 53.07  ? 27  ASP A OD1 1 
ATOM   247  O  OD2 . ASP A 1 36  ? 40.620 7.159  18.807  1.00 56.82  ? 27  ASP A OD2 1 
ATOM   248  N  N   . PRO A 1 37  ? 36.328 8.159  16.467  1.00 44.20  ? 28  PRO A N   1 
ATOM   249  C  CA  . PRO A 1 37  ? 34.993 8.249  17.067  1.00 43.85  ? 28  PRO A CA  1 
ATOM   250  C  C   . PRO A 1 37  ? 34.990 8.211  18.600  1.00 45.29  ? 28  PRO A C   1 
ATOM   251  O  O   . PRO A 1 37  ? 34.076 8.739  19.224  1.00 43.23  ? 28  PRO A O   1 
ATOM   252  C  CB  . PRO A 1 37  ? 34.249 7.022  16.515  1.00 43.55  ? 28  PRO A CB  1 
ATOM   253  C  CG  . PRO A 1 37  ? 35.052 6.565  15.308  1.00 42.53  ? 28  PRO A CG  1 
ATOM   254  C  CD  . PRO A 1 37  ? 36.476 7.001  15.570  1.00 43.07  ? 28  PRO A CD  1 
ATOM   255  N  N   . LYS A 1 38  ? 36.024 7.611  19.204  1.00 43.34  ? 29  LYS A N   1 
ATOM   256  C  CA  . LYS A 1 38  ? 36.130 7.515  20.655  1.00 44.48  ? 29  LYS A CA  1 
ATOM   257  C  C   . LYS A 1 38  ? 36.585 8.847  21.247  1.00 49.08  ? 29  LYS A C   1 
ATOM   258  O  O   . LYS A 1 38  ? 36.573 9.004  22.464  1.00 52.59  ? 29  LYS A O   1 
ATOM   259  C  CB  . LYS A 1 38  ? 37.075 6.378  21.054  1.00 44.07  ? 29  LYS A CB  1 
ATOM   260  C  CG  . LYS A 1 38  ? 36.786 5.050  20.368  1.00 46.90  ? 29  LYS A CG  1 
ATOM   261  N  N   . ILE A 1 39  ? 36.966 9.811  20.393  1.00 48.51  ? 30  ILE A N   1 
ATOM   262  C  CA  . ILE A 1 39  ? 37.479 11.092 20.844  1.00 46.36  ? 30  ILE A CA  1 
ATOM   263  C  C   . ILE A 1 39  ? 36.487 12.184 20.484  1.00 47.32  ? 30  ILE A C   1 
ATOM   264  O  O   . ILE A 1 39  ? 36.051 12.935 21.348  1.00 51.20  ? 30  ILE A O   1 
ATOM   265  C  CB  . ILE A 1 39  ? 38.880 11.368 20.257  1.00 53.30  ? 30  ILE A CB  1 
ATOM   266  C  CG1 . ILE A 1 39  ? 39.908 10.361 20.789  1.00 56.04  ? 30  ILE A CG1 1 
ATOM   267  C  CG2 . ILE A 1 39  ? 39.314 12.812 20.512  1.00 53.13  ? 30  ILE A CG2 1 
ATOM   268  C  CD1 . ILE A 1 39  ? 41.303 10.528 20.212  1.00 61.44  ? 30  ILE A CD1 1 
ATOM   269  N  N   . GLU A 1 40  ? 36.161 12.286 19.193  1.00 44.55  ? 31  GLU A N   1 
ATOM   270  C  CA  . GLU A 1 40  ? 35.158 13.226 18.739  1.00 45.53  ? 31  GLU A CA  1 
ATOM   271  C  C   . GLU A 1 40  ? 33.796 12.547 18.866  1.00 43.59  ? 31  GLU A C   1 
ATOM   272  O  O   . GLU A 1 40  ? 33.172 12.200 17.861  1.00 39.54  ? 31  GLU A O   1 
ATOM   273  C  CB  . GLU A 1 40  ? 35.434 13.675 17.303  1.00 48.79  ? 31  GLU A CB  1 
ATOM   274  C  CG  . GLU A 1 40  ? 36.729 14.437 17.112  1.00 56.22  ? 31  GLU A CG  1 
ATOM   275  C  CD  . GLU A 1 40  ? 36.728 15.836 17.693  1.00 61.82  ? 31  GLU A CD  1 
ATOM   276  O  OE1 . GLU A 1 40  ? 35.673 16.528 17.608  1.00 60.90  ? 31  GLU A OE1 1 
ATOM   277  O  OE2 . GLU A 1 40  ? 37.788 16.234 18.218  1.00 62.76  ? 31  GLU A OE2 1 
ATOM   278  N  N   . THR A 1 41  ? 33.356 12.336 20.113  1.00 44.59  ? 32  THR A N   1 
ATOM   279  C  CA  . THR A 1 41  ? 32.157 11.553 20.379  1.00 46.80  ? 32  THR A CA  1 
ATOM   280  C  C   . THR A 1 41  ? 30.907 12.313 19.942  1.00 46.08  ? 32  THR A C   1 
ATOM   281  O  O   . THR A 1 41  ? 29.933 11.694 19.526  1.00 42.51  ? 32  THR A O   1 
ATOM   282  C  CB  . THR A 1 41  ? 32.076 11.125 21.849  1.00 49.60  ? 32  THR A CB  1 
ATOM   283  O  OG1 . THR A 1 41  ? 32.075 12.355 22.569  1.00 47.60  ? 32  THR A OG1 1 
ATOM   284  C  CG2 . THR A 1 41  ? 33.224 10.228 22.262  1.00 50.67  ? 32  THR A CG2 1 
ATOM   285  N  N   . ASN A 1 42  ? 30.947 13.647 20.000  1.00 44.43  ? 33  ASN A N   1 
ATOM   286  C  CA  . ASN A 1 42  ? 29.809 14.458 19.605  1.00 43.24  ? 33  ASN A CA  1 
ATOM   287  C  C   . ASN A 1 42  ? 29.618 14.383 18.083  1.00 45.11  ? 33  ASN A C   1 
ATOM   288  O  O   . ASN A 1 42  ? 28.503 14.218 17.596  1.00 41.17  ? 33  ASN A O   1 
ATOM   289  C  CB  . ASN A 1 42  ? 29.928 15.907 20.092  1.00 40.99  ? 33  ASN A CB  1 
ATOM   290  C  CG  . ASN A 1 42  ? 29.695 16.086 21.590  1.00 49.74  ? 33  ASN A CG  1 
ATOM   291  O  OD1 . ASN A 1 42  ? 28.824 15.453 22.181  1.00 40.57  ? 33  ASN A OD1 1 
ATOM   292  N  ND2 . ASN A 1 42  ? 30.467 16.958 22.221  1.00 49.50  ? 33  ASN A ND2 1 
ATOM   293  N  N   . LYS A 1 43  ? 30.705 14.520 17.332  1.00 38.56  ? 34  LYS A N   1 
ATOM   294  C  CA  . LYS A 1 43  ? 30.659 14.412 15.890  1.00 43.82  ? 34  LYS A CA  1 
ATOM   295  C  C   . LYS A 1 43  ? 30.197 13.009 15.488  1.00 35.74  ? 34  LYS A C   1 
ATOM   296  O  O   . LYS A 1 43  ? 29.416 12.878 14.564  1.00 39.55  ? 34  LYS A O   1 
ATOM   297  C  CB  . LYS A 1 43  ? 32.027 14.781 15.317  1.00 52.40  ? 34  LYS A CB  1 
ATOM   298  C  CG  . LYS A 1 43  ? 32.013 15.221 13.862  1.00 57.66  ? 34  LYS A CG  1 
ATOM   299  C  CD  . LYS A 1 43  ? 33.348 15.770 13.374  1.00 63.60  ? 34  LYS A CD  1 
ATOM   300  C  CE  . LYS A 1 43  ? 33.810 17.001 14.132  1.00 64.93  ? 34  LYS A CE  1 
ATOM   301  N  NZ  . LYS A 1 43  ? 35.154 17.463 13.707  1.00 64.53  ? 34  LYS A NZ  1 
ATOM   302  N  N   . PHE A 1 44  ? 30.627 11.987 16.224  1.00 37.22  ? 35  PHE A N   1 
ATOM   303  C  CA  . PHE A 1 44  ? 30.169 10.615 16.069  1.00 37.09  ? 35  PHE A CA  1 
ATOM   304  C  C   . PHE A 1 44  ? 28.638 10.534 16.129  1.00 39.71  ? 35  PHE A C   1 
ATOM   305  O  O   . PHE A 1 44  ? 27.985 9.947  15.249  1.00 33.33  ? 35  PHE A O   1 
ATOM   306  C  CB  . PHE A 1 44  ? 30.837 9.755  17.143  1.00 37.00  ? 35  PHE A CB  1 
ATOM   307  C  CG  . PHE A 1 44  ? 30.692 8.259  17.039  1.00 38.38  ? 35  PHE A CG  1 
ATOM   308  C  CD1 . PHE A 1 44  ? 30.396 7.635  15.840  1.00 35.63  ? 35  PHE A CD1 1 
ATOM   309  C  CD2 . PHE A 1 44  ? 30.889 7.466  18.152  1.00 40.17  ? 35  PHE A CD2 1 
ATOM   310  C  CE1 . PHE A 1 44  ? 30.287 6.262  15.756  1.00 36.97  ? 35  PHE A CE1 1 
ATOM   311  C  CE2 . PHE A 1 44  ? 30.770 6.088  18.081  1.00 39.34  ? 35  PHE A CE2 1 
ATOM   312  C  CZ  . PHE A 1 44  ? 30.456 5.484  16.883  1.00 40.34  ? 35  PHE A CZ  1 
ATOM   313  N  N   . ALA A 1 45  ? 28.047 11.128 17.170  1.00 35.20  ? 36  ALA A N   1 
ATOM   314  C  CA  . ALA A 1 45  ? 26.597 11.136 17.316  1.00 33.03  ? 36  ALA A CA  1 
ATOM   315  C  C   . ALA A 1 45  ? 25.932 11.901 16.168  1.00 30.80  ? 36  ALA A C   1 
ATOM   316  O  O   . ALA A 1 45  ? 24.923 11.453 15.618  1.00 36.96  ? 36  ALA A O   1 
ATOM   317  C  CB  . ALA A 1 45  ? 26.237 11.743 18.653  1.00 38.15  ? 36  ALA A CB  1 
ATOM   318  N  N   . ALA A 1 46  ? 26.474 13.071 15.826  1.00 32.02  ? 37  ALA A N   1 
ATOM   319  C  CA  . ALA A 1 46  ? 25.878 13.906 14.796  1.00 36.03  ? 37  ALA A CA  1 
ATOM   320  C  C   . ALA A 1 46  ? 25.842 13.184 13.442  1.00 33.74  ? 37  ALA A C   1 
ATOM   321  O  O   . ALA A 1 46  ? 24.900 13.335 12.656  1.00 32.03  ? 37  ALA A O   1 
ATOM   322  C  CB  . ALA A 1 46  ? 26.642 15.200 14.680  1.00 36.17  ? 37  ALA A CB  1 
ATOM   323  N  N   . ILE A 1 47  ? 26.915 12.461 13.130  1.00 31.50  ? 38  ILE A N   1 
ATOM   324  C  CA  . ILE A 1 47  ? 26.991 11.753 11.854  1.00 33.56  ? 38  ILE A CA  1 
ATOM   325  C  C   . ILE A 1 47  ? 25.939 10.641 11.846  1.00 27.41  ? 38  ILE A C   1 
ATOM   326  O  O   . ILE A 1 47  ? 25.235 10.476 10.873  1.00 31.07  ? 38  ILE A O   1 
ATOM   327  C  CB  . ILE A 1 47  ? 28.425 11.236 11.604  1.00 33.16  ? 38  ILE A CB  1 
ATOM   328  C  CG1 . ILE A 1 47  ? 29.379 12.409 11.347  1.00 35.36  ? 38  ILE A CG1 1 
ATOM   329  C  CG2 . ILE A 1 47  ? 28.488 10.209 10.461  1.00 33.71  ? 38  ILE A CG2 1 
ATOM   330  C  CD1 . ILE A 1 47  ? 30.838 12.004 11.386  1.00 39.54  ? 38  ILE A CD1 1 
ATOM   331  N  N   . CYS A 1 48  ? 25.838 9.884  12.937  1.00 29.83  ? 39  CYS A N   1 
ATOM   332  C  CA  . CYS A 1 48  ? 24.862 8.812  13.076  1.00 31.88  ? 39  CYS A CA  1 
ATOM   333  C  C   . CYS A 1 48  ? 23.441 9.364  12.900  1.00 31.41  ? 39  CYS A C   1 
ATOM   334  O  O   . CYS A 1 48  ? 22.623 8.759  12.213  1.00 28.33  ? 39  CYS A O   1 
ATOM   335  C  CB  . CYS A 1 48  ? 24.999 8.130  14.436  1.00 35.32  ? 39  CYS A CB  1 
ATOM   336  S  SG  . CYS A 1 48  ? 26.421 7.008  14.603  1.00 35.36  ? 39  CYS A SG  1 
ATOM   337  N  N   . THR A 1 49  ? 23.176 10.553 13.472  1.00 33.57  ? 40  THR A N   1 
ATOM   338  C  CA  . THR A 1 49  ? 21.847 11.147 13.436  1.00 32.29  ? 40  THR A CA  1 
ATOM   339  C  C   . THR A 1 49  ? 21.478 11.532 12.009  1.00 32.46  ? 40  THR A C   1 
ATOM   340  O  O   . THR A 1 49  ? 20.384 11.218 11.568  1.00 31.66  ? 40  THR A O   1 
ATOM   341  C  CB  . THR A 1 49  ? 21.713 12.342 14.392  1.00 35.51  ? 40  THR A CB  1 
ATOM   342  O  OG1 . THR A 1 49  ? 22.018 11.913 15.716  1.00 32.37  ? 40  THR A OG1 1 
ATOM   343  C  CG2 . THR A 1 49  ? 20.309 12.910 14.423  1.00 38.60  ? 40  THR A CG2 1 
ATOM   344  N  N   . HIS A 1 50  ? 22.414 12.155 11.280  1.00 31.98  ? 41  HIS A N   1 
ATOM   345  C  CA  . HIS A 1 50  ? 22.180 12.522 9.902   1.00 30.67  ? 41  HIS A CA  1 
ATOM   346  C  C   . HIS A 1 50  ? 21.919 11.283 9.049   1.00 30.57  ? 41  HIS A C   1 
ATOM   347  O  O   . HIS A 1 50  ? 20.965 11.263 8.274   1.00 31.95  ? 41  HIS A O   1 
ATOM   348  C  CB  . HIS A 1 50  ? 23.314 13.405 9.389   1.00 31.43  ? 41  HIS A CB  1 
ATOM   349  C  CG  . HIS A 1 50  ? 23.267 13.634 7.933   1.00 32.41  ? 41  HIS A CG  1 
ATOM   350  N  ND1 . HIS A 1 50  ? 23.951 12.868 7.009   1.00 30.89  ? 41  HIS A ND1 1 
ATOM   351  C  CD2 . HIS A 1 50  ? 22.551 14.526 7.243   1.00 31.04  ? 41  HIS A CD2 1 
ATOM   352  C  CE1 . HIS A 1 50  ? 23.679 13.352 5.796   1.00 34.33  ? 41  HIS A CE1 1 
ATOM   353  N  NE2 . HIS A 1 50  ? 22.842 14.382 5.924   1.00 31.86  ? 41  HIS A NE2 1 
ATOM   354  N  N   . LEU A 1 51  ? 22.730 10.228 9.217   1.00 31.11  ? 42  LEU A N   1 
ATOM   355  C  CA  . LEU A 1 51  ? 22.532 9.004  8.442   1.00 32.47  ? 42  LEU A CA  1 
ATOM   356  C  C   . LEU A 1 51  ? 21.145 8.432  8.739   1.00 31.78  ? 42  LEU A C   1 
ATOM   357  O  O   . LEU A 1 51  ? 20.405 8.073  7.835   1.00 29.37  ? 42  LEU A O   1 
ATOM   358  C  CB  . LEU A 1 51  ? 23.610 7.975  8.802   1.00 31.13  ? 42  LEU A CB  1 
ATOM   359  C  CG  . LEU A 1 51  ? 24.994 8.220  8.203   1.00 34.10  ? 42  LEU A CG  1 
ATOM   360  C  CD1 . LEU A 1 51  ? 26.046 7.364  8.896   1.00 34.68  ? 42  LEU A CD1 1 
ATOM   361  C  CD2 . LEU A 1 51  ? 24.977 7.913  6.709   1.00 37.11  ? 42  LEU A CD2 1 
ATOM   362  N  N   . GLU A 1 52  ? 20.774 8.383  10.022  1.00 31.67  ? 43  GLU A N   1 
ATOM   363  C  CA  . GLU A 1 52  ? 19.499 7.798  10.388  1.00 32.66  ? 43  GLU A CA  1 
ATOM   364  C  C   . GLU A 1 52  ? 18.356 8.586  9.754   1.00 30.88  ? 43  GLU A C   1 
ATOM   365  O  O   . GLU A 1 52  ? 17.424 7.997  9.205   1.00 31.27  ? 43  GLU A O   1 
ATOM   366  C  CB  . GLU A 1 52  ? 19.364 7.714  11.902  1.00 35.90  ? 43  GLU A CB  1 
ATOM   367  C  CG  . GLU A 1 52  ? 18.203 6.858  12.343  1.00 40.30  ? 43  GLU A CG  1 
ATOM   368  C  CD  . GLU A 1 52  ? 18.097 6.827  13.850  1.00 42.54  ? 43  GLU A CD  1 
ATOM   369  O  OE1 . GLU A 1 52  ? 17.798 7.884  14.437  1.00 47.95  ? 43  GLU A OE1 1 
ATOM   370  O  OE2 . GLU A 1 52  ? 18.335 5.762  14.426  1.00 53.22  ? 43  GLU A OE2 1 
ATOM   371  N  N   . VAL A 1 53  ? 18.438 9.917  9.818   1.00 31.59  ? 44  VAL A N   1 
ATOM   372  C  CA  . VAL A 1 53  ? 17.401 10.760 9.238   1.00 34.51  ? 44  VAL A CA  1 
ATOM   373  C  C   . VAL A 1 53  ? 17.285 10.509 7.734   1.00 32.47  ? 44  VAL A C   1 
ATOM   374  O  O   . VAL A 1 53  ? 16.177 10.384 7.221   1.00 31.61  ? 44  VAL A O   1 
ATOM   375  C  CB  . VAL A 1 53  ? 17.599 12.256 9.560   1.00 32.15  ? 44  VAL A CB  1 
ATOM   376  C  CG1 . VAL A 1 53  ? 16.657 13.146 8.745   1.00 33.55  ? 44  VAL A CG1 1 
ATOM   377  C  CG2 . VAL A 1 53  ? 17.405 12.518 11.034  1.00 36.45  ? 44  VAL A CG2 1 
ATOM   378  N  N   . CYS A 1 54  ? 18.424 10.409 7.024   1.00 33.26  ? 45  CYS A N   1 
ATOM   379  C  CA  . CYS A 1 54  ? 18.400 10.188 5.585   1.00 30.97  ? 45  CYS A CA  1 
ATOM   380  C  C   . CYS A 1 54  ? 17.674 8.886  5.227   1.00 31.12  ? 45  CYS A C   1 
ATOM   381  O  O   . CYS A 1 54  ? 16.860 8.849  4.302   1.00 30.77  ? 45  CYS A O   1 
ATOM   382  C  CB  . CYS A 1 54  ? 19.805 10.147 4.997   1.00 31.38  ? 45  CYS A CB  1 
ATOM   383  S  SG  . CYS A 1 54  ? 20.594 11.765 4.879   1.00 32.91  ? 45  CYS A SG  1 
ATOM   384  N  N   . PHE A 1 55  ? 17.978 7.819  5.963   1.00 30.43  ? 46  PHE A N   1 
ATOM   385  C  CA  . PHE A 1 55  ? 17.354 6.516  5.767   1.00 34.44  ? 46  PHE A CA  1 
ATOM   386  C  C   . PHE A 1 55  ? 15.857 6.577  6.114   1.00 40.74  ? 46  PHE A C   1 
ATOM   387  O  O   . PHE A 1 55  ? 15.012 6.095  5.352   1.00 37.80  ? 46  PHE A O   1 
ATOM   388  C  CB  . PHE A 1 55  ? 18.116 5.463  6.573   1.00 33.04  ? 46  PHE A CB  1 
ATOM   389  C  CG  . PHE A 1 55  ? 19.589 5.301  6.229   1.00 34.86  ? 46  PHE A CG  1 
ATOM   390  C  CD1 . PHE A 1 55  ? 20.150 5.863  5.086   1.00 39.19  ? 46  PHE A CD1 1 
ATOM   391  C  CD2 . PHE A 1 55  ? 20.421 4.557  7.048   1.00 38.70  ? 46  PHE A CD2 1 
ATOM   392  C  CE1 . PHE A 1 55  ? 21.488 5.658  4.766   1.00 37.88  ? 46  PHE A CE1 1 
ATOM   393  C  CE2 . PHE A 1 55  ? 21.758 4.359  6.737   1.00 41.83  ? 46  PHE A CE2 1 
ATOM   394  C  CZ  . PHE A 1 55  ? 22.286 4.902  5.587   1.00 39.43  ? 46  PHE A CZ  1 
ATOM   395  N  N   . MET A 1 56  ? 15.504 7.218  7.232   1.00 37.61  ? 47  MET A N   1 
ATOM   396  C  CA  . MET A 1 56  ? 14.094 7.325  7.595   1.00 41.40  ? 47  MET A CA  1 
ATOM   397  C  C   . MET A 1 56  ? 13.330 8.075  6.508   1.00 39.01  ? 47  MET A C   1 
ATOM   398  O  O   . MET A 1 56  ? 12.219 7.701  6.164   1.00 42.60  ? 47  MET A O   1 
ATOM   399  C  CB  . MET A 1 56  ? 13.878 8.053  8.926   1.00 38.53  ? 47  MET A CB  1 
ATOM   400  C  CG  . MET A 1 56  ? 14.219 7.222  10.142  1.00 41.57  ? 47  MET A CG  1 
ATOM   401  S  SD  . MET A 1 56  ? 13.962 8.193  11.681  0.85 43.64  ? 47  MET A SD  1 
ATOM   402  C  CE  . MET A 1 56  ? 12.212 7.873  11.919  1.00 45.56  ? 47  MET A CE  1 
ATOM   403  N  N   . TYR A 1 57  ? 13.925 9.149  5.991   1.00 40.57  ? 48  TYR A N   1 
ATOM   404  C  CA  . TYR A 1 57  ? 13.328 9.946  4.936   1.00 39.33  ? 48  TYR A CA  1 
ATOM   405  C  C   . TYR A 1 57  ? 13.067 9.086  3.696   1.00 44.82  ? 48  TYR A C   1 
ATOM   406  O  O   . TYR A 1 57  ? 12.037 9.233  3.043   1.00 46.42  ? 48  TYR A O   1 
ATOM   407  C  CB  . TYR A 1 57  ? 14.259 11.125 4.654   1.00 38.51  ? 48  TYR A CB  1 
ATOM   408  C  CG  . TYR A 1 57  ? 13.647 12.346 3.971   1.00 38.57  ? 48  TYR A CG  1 
ATOM   409  C  CD1 . TYR A 1 57  ? 13.221 12.300 2.649   1.00 41.65  ? 48  TYR A CD1 1 
ATOM   410  C  CD2 . TYR A 1 57  ? 13.558 13.563 4.637   1.00 42.26  ? 48  TYR A CD2 1 
ATOM   411  C  CE1 . TYR A 1 57  ? 12.719 13.414 2.014   1.00 41.50  ? 48  TYR A CE1 1 
ATOM   412  C  CE2 . TYR A 1 57  ? 13.081 14.701 4.006   1.00 40.08  ? 48  TYR A CE2 1 
ATOM   413  C  CZ  . TYR A 1 57  ? 12.642 14.618 2.696   1.00 43.06  ? 48  TYR A CZ  1 
ATOM   414  O  OH  . TYR A 1 57  ? 12.148 15.719 2.067   1.00 44.26  ? 48  TYR A OH  1 
ATOM   415  N  N   . SER A 1 58  ? 14.004 8.199  3.356   1.00 41.99  ? 49  SER A N   1 
ATOM   416  C  CA  . SER A 1 58  ? 13.870 7.394  2.156   1.00 42.60  ? 49  SER A CA  1 
ATOM   417  C  C   . SER A 1 58  ? 12.732 6.383  2.298   1.00 44.77  ? 49  SER A C   1 
ATOM   418  O  O   . SER A 1 58  ? 12.187 5.963  1.293   1.00 47.14  ? 49  SER A O   1 
ATOM   419  C  CB  . SER A 1 58  ? 15.177 6.719  1.800   1.00 40.86  ? 49  SER A CB  1 
ATOM   420  O  OG  . SER A 1 58  ? 15.512 5.712  2.744   1.00 41.72  ? 49  SER A OG  1 
ATOM   421  N  N   . ASP A 1 59  ? 12.401 5.962  3.530   1.00 49.00  ? 50  ASP A N   1 
ATOM   422  C  CA  . ASP A 1 59  ? 11.296 5.037  3.769   1.00 48.23  ? 50  ASP A CA  1 
ATOM   423  C  C   . ASP A 1 59  ? 9.972  5.788  3.936   1.00 56.91  ? 50  ASP A C   1 
ATOM   424  O  O   . ASP A 1 59  ? 8.961  5.191  4.295   1.00 52.42  ? 50  ASP A O   1 
ATOM   425  C  CB  . ASP A 1 59  ? 11.544 4.183  5.013   1.00 48.59  ? 50  ASP A CB  1 
ATOM   426  C  CG  . ASP A 1 59  ? 12.342 2.913  4.758   0.50 51.77  ? 50  ASP A CG  1 
ATOM   427  O  OD1 . ASP A 1 59  ? 11.988 2.182  3.811   0.50 53.38  ? 50  ASP A OD1 1 
ATOM   428  O  OD2 . ASP A 1 59  ? 13.275 2.641  5.534   0.50 48.59  ? 50  ASP A OD2 1 
ATOM   429  N  N   . GLY A 1 60  ? 9.967  7.091  3.646   1.00 57.47  ? 51  GLY A N   1 
ATOM   430  C  CA  . GLY A 1 60  ? 8.870  7.959  4.037   1.00 62.51  ? 51  GLY A CA  1 
ATOM   431  C  C   . GLY A 1 60  ? 7.703  7.923  3.055   1.00 67.70  ? 51  GLY A C   1 
ATOM   432  O  O   . GLY A 1 60  ? 6.561  8.126  3.457   1.00 67.71  ? 51  GLY A O   1 
ATOM   433  N  N   . GLY A 1 61  ? 7.991  7.675  1.772   1.00 67.60  ? 52  GLY A N   1 
ATOM   434  C  CA  . GLY A 1 61  ? 6.971  7.781  0.742   1.00 66.83  ? 52  GLY A CA  1 
ATOM   435  C  C   . GLY A 1 61  ? 6.553  6.419  0.195   1.00 65.77  ? 52  GLY A C   1 
ATOM   436  O  O   . GLY A 1 61  ? 6.412  5.458  0.946   1.00 62.24  ? 52  GLY A O   1 
ATOM   437  N  N   . SER A 1 62  ? 6.356  6.355  -1.126  1.00 73.76  ? 72  SER A N   1 
ATOM   438  C  CA  . SER A 1 62  ? 5.925  5.134  -1.794  1.00 75.11  ? 72  SER A CA  1 
ATOM   439  C  C   . SER A 1 62  ? 7.105  4.176  -1.964  1.00 71.81  ? 72  SER A C   1 
ATOM   440  O  O   . SER A 1 62  ? 8.231  4.524  -1.616  1.00 64.63  ? 72  SER A O   1 
ATOM   441  C  CB  . SER A 1 62  ? 5.289  5.458  -3.114  1.00 75.14  ? 72  SER A CB  1 
ATOM   442  O  OG  . SER A 1 62  ? 6.229  6.052  -3.985  1.00 88.12  ? 72  SER A OG  1 
ATOM   443  N  N   . LYS A 1 63  ? 6.829  2.969  -2.488  1.00 66.99  ? 73  LYS A N   1 
ATOM   444  C  CA  . LYS A 1 63  ? 7.856  1.973  -2.759  1.00 64.53  ? 73  LYS A CA  1 
ATOM   445  C  C   . LYS A 1 63  ? 8.835  2.523  -3.793  1.00 63.37  ? 73  LYS A C   1 
ATOM   446  O  O   . LYS A 1 63  ? 8.428  2.840  -4.901  1.00 62.82  ? 73  LYS A O   1 
ATOM   447  C  CB  . LYS A 1 63  ? 7.242  0.670  -3.284  0.50 62.67  ? 73  LYS A CB  1 
ATOM   448  N  N   . HIS A 1 64  ? 10.108 2.661  -3.397  1.00 68.95  ? 74  HIS A N   1 
ATOM   449  C  CA  . HIS A 1 64  ? 11.180 3.152  -4.256  1.00 68.09  ? 74  HIS A CA  1 
ATOM   450  C  C   . HIS A 1 64  ? 10.846 4.544  -4.793  1.00 59.10  ? 74  HIS A C   1 
ATOM   451  O  O   . HIS A 1 64  ? 11.261 4.919  -5.889  1.00 61.78  ? 74  HIS A O   1 
ATOM   452  C  CB  . HIS A 1 64  ? 11.511 2.133  -5.358  1.00 81.87  ? 74  HIS A CB  1 
ATOM   453  C  CG  . HIS A 1 64  ? 12.974 2.029  -5.661  1.00 84.46  ? 74  HIS A CG  1 
ATOM   454  N  ND1 . HIS A 1 64  ? 13.532 0.959  -6.325  1.00 88.73  ? 74  HIS A ND1 1 
ATOM   455  C  CD2 . HIS A 1 64  ? 13.993 2.849  -5.358  1.00 85.45  ? 74  HIS A CD2 1 
ATOM   456  C  CE1 . HIS A 1 64  ? 14.842 1.143  -6.426  1.00 91.28  ? 74  HIS A CE1 1 
ATOM   457  N  NE2 . HIS A 1 64  ? 15.142 2.286  -5.848  1.00 90.82  ? 74  HIS A NE2 1 
ATOM   458  N  N   . ARG A 1 65  ? 10.116 5.349  -4.012  1.00 52.91  ? 75  ARG A N   1 
ATOM   459  C  CA  . ARG A 1 65  ? 10.056 6.753  -4.360  1.00 46.35  ? 75  ARG A CA  1 
ATOM   460  C  C   . ARG A 1 65  ? 11.459 7.371  -4.326  1.00 48.95  ? 75  ARG A C   1 
ATOM   461  O  O   . ARG A 1 65  ? 11.741 8.287  -5.077  1.00 42.84  ? 75  ARG A O   1 
ATOM   462  C  CB  . ARG A 1 65  ? 9.165  7.564  -3.424  1.00 48.75  ? 75  ARG A CB  1 
ATOM   463  C  CG  . ARG A 1 65  ? 9.156  9.039  -3.782  1.00 52.36  ? 75  ARG A CG  1 
ATOM   464  C  CD  . ARG A 1 65  ? 8.208  9.852  -2.945  1.00 50.68  ? 75  ARG A CD  1 
ATOM   465  N  NE  . ARG A 1 65  ? 8.259  11.240 -3.376  1.00 54.23  ? 75  ARG A NE  1 
ATOM   466  C  CZ  . ARG A 1 65  ? 7.477  12.199 -2.897  1.00 51.72  ? 75  ARG A CZ  1 
ATOM   467  N  NH1 . ARG A 1 65  ? 6.424  11.880 -2.159  1.00 52.09  ? 75  ARG A NH1 1 
ATOM   468  N  NH2 . ARG A 1 65  ? 7.733  13.459 -3.209  1.00 48.74  ? 75  ARG A NH2 1 
ATOM   469  N  N   . PHE A 1 66  ? 12.340 6.971  -3.404  1.00 44.30  ? 76  PHE A N   1 
ATOM   470  C  CA  . PHE A 1 66  ? 13.610 7.673  -3.315  1.00 44.34  ? 76  PHE A CA  1 
ATOM   471  C  C   . PHE A 1 66  ? 14.769 6.724  -3.598  1.00 41.87  ? 76  PHE A C   1 
ATOM   472  O  O   . PHE A 1 66  ? 14.725 5.563  -3.209  1.00 43.25  ? 76  PHE A O   1 
ATOM   473  C  CB  . PHE A 1 66  ? 13.781 8.299  -1.931  1.00 41.79  ? 76  PHE A CB  1 
ATOM   474  C  CG  . PHE A 1 66  ? 12.735 9.295  -1.516  1.00 42.36  ? 76  PHE A CG  1 
ATOM   475  C  CD1 . PHE A 1 66  ? 12.748 10.584 -2.007  1.00 45.72  ? 76  PHE A CD1 1 
ATOM   476  C  CD2 . PHE A 1 66  ? 11.747 8.946  -0.610  1.00 46.14  ? 76  PHE A CD2 1 
ATOM   477  C  CE1 . PHE A 1 66  ? 11.800 11.503 -1.607  1.00 43.93  ? 76  PHE A CE1 1 
ATOM   478  C  CE2 . PHE A 1 66  ? 10.817 9.881  -0.187  1.00 46.81  ? 76  PHE A CE2 1 
ATOM   479  C  CZ  . PHE A 1 66  ? 10.821 11.144 -0.720  1.00 44.69  ? 76  PHE A CZ  1 
ATOM   480  N  N   . GLU A 1 67  ? 15.823 7.254  -4.232  1.00 45.02  ? 77  GLU A N   1 
ATOM   481  C  CA  . GLU A 1 67  ? 17.120 6.596  -4.264  1.00 40.69  ? 77  GLU A CA  1 
ATOM   482  C  C   . GLU A 1 67  ? 17.991 7.217  -3.172  1.00 40.96  ? 77  GLU A C   1 
ATOM   483  O  O   . GLU A 1 67  ? 18.080 8.440  -3.068  1.00 36.90  ? 77  GLU A O   1 
ATOM   484  C  CB  . GLU A 1 67  ? 17.767 6.790  -5.635  1.00 39.62  ? 77  GLU A CB  1 
ATOM   485  C  CG  . GLU A 1 67  ? 18.686 5.651  -6.013  1.00 44.58  ? 77  GLU A CG  1 
ATOM   486  C  CD  . GLU A 1 67  ? 17.936 4.385  -6.399  1.00 48.20  ? 77  GLU A CD  1 
ATOM   487  O  OE1 . GLU A 1 67  ? 17.167 4.411  -7.387  1.00 50.18  ? 77  GLU A OE1 1 
ATOM   488  O  OE2 . GLU A 1 67  ? 18.132 3.385  -5.734  1.00 46.13  ? 77  GLU A OE2 1 
ATOM   489  N  N   . ILE A 1 68  ? 18.646 6.365  -2.376  1.00 37.89  ? 78  ILE A N   1 
ATOM   490  C  CA  . ILE A 1 68  ? 19.566 6.818  -1.352  1.00 34.61  ? 78  ILE A CA  1 
ATOM   491  C  C   . ILE A 1 68  ? 20.942 7.016  -1.984  1.00 35.68  ? 78  ILE A C   1 
ATOM   492  O  O   . ILE A 1 68  ? 21.441 6.120  -2.668  1.00 37.36  ? 78  ILE A O   1 
ATOM   493  C  CB  . ILE A 1 68  ? 19.607 5.819  -0.182  1.00 36.92  ? 78  ILE A CB  1 
ATOM   494  C  CG1 . ILE A 1 68  ? 18.194 5.435  0.270   1.00 40.86  ? 78  ILE A CG1 1 
ATOM   495  C  CG2 . ILE A 1 68  ? 20.424 6.404  0.962   1.00 38.89  ? 78  ILE A CG2 1 
ATOM   496  C  CD1 . ILE A 1 68  ? 18.120 4.410  1.361   1.00 39.40  ? 78  ILE A CD1 1 
ATOM   497  N  N   . ILE A 1 69  ? 21.550 8.173  -1.716  1.00 30.80  ? 79  ILE A N   1 
ATOM   498  C  CA  . ILE A 1 69  ? 22.911 8.460  -2.123  1.00 33.69  ? 79  ILE A CA  1 
ATOM   499  C  C   . ILE A 1 69  ? 23.844 8.488  -0.908  1.00 35.05  ? 79  ILE A C   1 
ATOM   500  O  O   . ILE A 1 69  ? 24.950 7.929  -0.959  1.00 32.42  ? 79  ILE A O   1 
ATOM   501  C  CB  . ILE A 1 69  ? 22.966 9.761  -2.938  1.00 34.58  ? 79  ILE A CB  1 
ATOM   502  C  CG1 . ILE A 1 69  ? 21.965 9.726  -4.100  1.00 35.72  ? 79  ILE A CG1 1 
ATOM   503  C  CG2 . ILE A 1 69  ? 24.389 10.007 -3.417  1.00 35.40  ? 79  ILE A CG2 1 
ATOM   504  C  CD1 . ILE A 1 69  ? 21.744 11.048 -4.748  1.00 37.01  ? 79  ILE A CD1 1 
ATOM   505  N  N   . GLU A 1 70  ? 23.392 9.122  0.182   1.00 31.66  ? 80  GLU A N   1 
ATOM   506  C  CA  . GLU A 1 70  ? 24.188 9.217  1.392   1.00 33.64  ? 80  GLU A CA  1 
ATOM   507  C  C   . GLU A 1 70  ? 24.439 7.802  1.907   1.00 29.67  ? 80  GLU A C   1 
ATOM   508  O  O   . GLU A 1 70  ? 23.572 6.956  1.794   1.00 32.54  ? 80  GLU A O   1 
ATOM   509  C  CB  . GLU A 1 70  ? 23.440 10.048 2.441   1.00 34.22  ? 80  GLU A CB  1 
ATOM   510  C  CG  . GLU A 1 70  ? 24.202 10.237 3.745   1.00 36.19  ? 80  GLU A CG  1 
ATOM   511  C  CD  . GLU A 1 70  ? 25.550 10.924 3.572   1.00 36.13  ? 80  GLU A CD  1 
ATOM   512  O  OE1 . GLU A 1 70  ? 25.593 12.178 3.602   1.00 31.43  ? 80  GLU A OE1 1 
ATOM   513  O  OE2 . GLU A 1 70  ? 26.555 10.202 3.322   1.00 34.10  ? 80  GLU A OE2 1 
ATOM   514  N  N   . GLY A 1 71  ? 25.588 7.572  2.530   1.00 30.42  ? 81  GLY A N   1 
ATOM   515  C  CA  . GLY A 1 71  ? 25.879 6.295  3.166   1.00 29.08  ? 81  GLY A CA  1 
ATOM   516  C  C   . GLY A 1 71  ? 26.576 5.304  2.210   1.00 31.68  ? 81  GLY A C   1 
ATOM   517  O  O   . GLY A 1 71  ? 27.122 4.307  2.646   1.00 35.72  ? 81  GLY A O   1 
ATOM   518  N  N   . ARG A 1 72  ? 26.530 5.569  0.908   1.00 30.09  ? 82  ARG A N   1 
ATOM   519  C  CA  . ARG A 1 72  ? 27.256 4.812  -0.094  1.00 30.43  ? 82  ARG A CA  1 
ATOM   520  C  C   . ARG A 1 72  ? 28.701 5.288  -0.204  1.00 32.31  ? 82  ARG A C   1 
ATOM   521  O  O   . ARG A 1 72  ? 28.992 6.486  -0.030  1.00 28.42  ? 82  ARG A O   1 
ATOM   522  C  CB  . ARG A 1 72  ? 26.566 4.969  -1.445  1.00 29.18  ? 82  ARG A CB  1 
ATOM   523  C  CG  . ARG A 1 72  ? 25.159 4.395  -1.482  1.00 31.51  ? 82  ARG A CG  1 
ATOM   524  C  CD  . ARG A 1 72  ? 24.669 4.387  -2.912  1.00 33.54  ? 82  ARG A CD  1 
ATOM   525  N  NE  . ARG A 1 72  ? 23.264 4.045  -3.001  1.00 36.84  ? 82  ARG A NE  1 
ATOM   526  C  CZ  . ARG A 1 72  ? 22.762 2.822  -2.915  1.00 40.66  ? 82  ARG A CZ  1 
ATOM   527  N  NH1 . ARG A 1 72  ? 23.542 1.754  -2.800  1.00 41.14  ? 82  ARG A NH1 1 
ATOM   528  N  NH2 . ARG A 1 72  ? 21.454 2.677  -2.929  1.00 37.91  ? 82  ARG A NH2 1 
ATOM   529  N  N   . ASP A 1 73  ? 29.601 4.347  -0.532  1.00 28.28  ? 83  ASP A N   1 
ATOM   530  C  CA  . ASP A 1 73  ? 30.969 4.701  -0.885  1.00 30.38  ? 83  ASP A CA  1 
ATOM   531  C  C   . ASP A 1 73  ? 30.949 5.648  -2.091  1.00 29.08  ? 83  ASP A C   1 
ATOM   532  O  O   . ASP A 1 73  ? 29.945 5.772  -2.771  1.00 29.73  ? 83  ASP A O   1 
ATOM   533  C  CB  . ASP A 1 73  ? 31.863 3.472  -1.139  1.00 37.14  ? 83  ASP A CB  1 
ATOM   534  C  CG  . ASP A 1 73  ? 31.575 2.739  -2.447  1.00 40.91  ? 83  ASP A CG  1 
ATOM   535  O  OD1 . ASP A 1 73  ? 31.775 3.322  -3.546  1.00 39.20  ? 83  ASP A OD1 1 
ATOM   536  O  OD2 . ASP A 1 73  ? 31.100 1.616  -2.357  1.00 48.36  ? 83  ASP A OD2 1 
ATOM   537  N  N   . ARG A 1 74  ? 32.025 6.412  -2.278  1.00 28.82  ? 84  ARG A N   1 
ATOM   538  C  CA  . ARG A 1 74  ? 32.011 7.536  -3.214  1.00 30.39  ? 84  ARG A CA  1 
ATOM   539  C  C   . ARG A 1 74  ? 31.787 7.066  -4.657  1.00 30.44  ? 84  ARG A C   1 
ATOM   540  O  O   . ARG A 1 74  ? 31.079 7.723  -5.424  1.00 29.82  ? 84  ARG A O   1 
ATOM   541  C  CB  . ARG A 1 74  ? 33.317 8.322  -3.106  1.00 29.18  ? 84  ARG A CB  1 
ATOM   542  C  CG  . ARG A 1 74  ? 33.505 9.030  -1.767  1.00 30.47  ? 84  ARG A CG  1 
ATOM   543  C  CD  . ARG A 1 74  ? 34.918 9.571  -1.640  1.00 32.13  ? 84  ARG A CD  1 
ATOM   544  N  NE  . ARG A 1 74  ? 35.162 10.284 -0.397  1.00 32.76  ? 84  ARG A NE  1 
ATOM   545  C  CZ  . ARG A 1 74  ? 35.286 9.717  0.796   1.00 35.26  ? 84  ARG A CZ  1 
ATOM   546  N  NH1 . ARG A 1 74  ? 35.374 10.475 1.878   1.00 36.29  ? 84  ARG A NH1 1 
ATOM   547  N  NH2 . ARG A 1 74  ? 35.302 8.399  0.908   1.00 36.55  ? 84  ARG A NH2 1 
ATOM   548  N  N   . ILE A 1 75  ? 32.388 5.935  -5.039  1.00 29.53  ? 85  ILE A N   1 
ATOM   549  C  CA  . ILE A 1 75  ? 32.237 5.445  -6.400  1.00 32.64  ? 85  ILE A CA  1 
ATOM   550  C  C   . ILE A 1 75  ? 30.766 5.117  -6.690  1.00 30.96  ? 85  ILE A C   1 
ATOM   551  O  O   . ILE A 1 75  ? 30.226 5.542  -7.713  1.00 28.41  ? 85  ILE A O   1 
ATOM   552  C  CB  . ILE A 1 75  ? 33.179 4.264  -6.688  1.00 30.25  ? 85  ILE A CB  1 
ATOM   553  C  CG1 . ILE A 1 75  ? 34.634 4.738  -6.731  1.00 34.06  ? 85  ILE A CG1 1 
ATOM   554  C  CG2 . ILE A 1 75  ? 32.772 3.594  -7.993  1.00 30.62  ? 85  ILE A CG2 1 
ATOM   555  C  CD1 . ILE A 1 75  ? 35.627 3.621  -7.034  1.00 37.85  ? 85  ILE A CD1 1 
ATOM   556  N  N   . MET A 1 76  ? 30.133 4.371  -5.779  1.00 27.94  ? 86  MET A N   1 
ATOM   557  C  CA  . MET A 1 76  ? 28.753 3.955  -5.943  1.00 27.90  ? 86  MET A CA  1 
ATOM   558  C  C   . MET A 1 76  ? 27.823 5.170  -5.877  1.00 28.69  ? 86  MET A C   1 
ATOM   559  O  O   . MET A 1 76  ? 26.883 5.226  -6.643  1.00 27.79  ? 86  MET A O   1 
ATOM   560  C  CB  . MET A 1 76  ? 28.358 2.940  -4.871  1.00 28.33  ? 86  MET A CB  1 
ATOM   561  C  CG  . MET A 1 76  ? 28.985 1.574  -5.052  1.00 35.31  ? 86  MET A CG  1 
ATOM   562  S  SD  . MET A 1 76  ? 28.618 0.783  -6.636  0.75 37.88  ? 86  MET A SD  1 
ATOM   563  C  CE  . MET A 1 76  ? 26.906 1.237  -6.896  1.00 35.21  ? 86  MET A CE  1 
ATOM   564  N  N   . ALA A 1 77  ? 28.092 6.128  -4.976  1.00 26.64  ? 87  ALA A N   1 
ATOM   565  C  CA  . ALA A 1 77  ? 27.282 7.334  -4.860  1.00 29.04  ? 87  ALA A CA  1 
ATOM   566  C  C   . ALA A 1 77  ? 27.249 8.098  -6.186  1.00 31.50  ? 87  ALA A C   1 
ATOM   567  O  O   . ALA A 1 77  ? 26.182 8.500  -6.631  1.00 30.99  ? 87  ALA A O   1 
ATOM   568  C  CB  . ALA A 1 77  ? 27.799 8.218  -3.760  1.00 30.75  ? 87  ALA A CB  1 
ATOM   569  N  N   . TRP A 1 78  ? 28.417 8.330  -6.793  1.00 28.37  ? 88  TRP A N   1 
ATOM   570  C  CA  . TRP A 1 78  ? 28.490 9.048  -8.059  1.00 30.51  ? 88  TRP A CA  1 
ATOM   571  C  C   . TRP A 1 78  ? 27.951 8.203  -9.216  1.00 32.10  ? 88  TRP A C   1 
ATOM   572  O  O   . TRP A 1 78  ? 27.428 8.738  -10.188 1.00 35.88  ? 88  TRP A O   1 
ATOM   573  C  CB  . TRP A 1 78  ? 29.922 9.518  -8.336  1.00 30.11  ? 88  TRP A CB  1 
ATOM   574  C  CG  . TRP A 1 78  ? 30.267 10.792 -7.617  1.00 30.71  ? 88  TRP A CG  1 
ATOM   575  C  CD1 . TRP A 1 78  ? 31.157 10.936 -6.602  1.00 34.56  ? 88  TRP A CD1 1 
ATOM   576  C  CD2 . TRP A 1 78  ? 29.721 12.107 -7.860  1.00 31.66  ? 88  TRP A CD2 1 
ATOM   577  N  NE1 . TRP A 1 78  ? 31.183 12.234 -6.173  1.00 36.28  ? 88  TRP A NE1 1 
ATOM   578  C  CE2 . TRP A 1 78  ? 30.319 12.982 -6.926  1.00 35.36  ? 88  TRP A CE2 1 
ATOM   579  C  CE3 . TRP A 1 78  ? 28.785 12.628 -8.755  1.00 37.58  ? 88  TRP A CE3 1 
ATOM   580  C  CZ2 . TRP A 1 78  ? 30.024 14.349 -6.876  1.00 40.06  ? 88  TRP A CZ2 1 
ATOM   581  C  CZ3 . TRP A 1 78  ? 28.488 13.977 -8.709  1.00 37.29  ? 88  TRP A CZ3 1 
ATOM   582  C  CH2 . TRP A 1 78  ? 29.097 14.827 -7.783  1.00 36.79  ? 88  TRP A CH2 1 
ATOM   583  N  N   . THR A 1 79  ? 28.042 6.883  -9.101  1.00 33.74  ? 89  THR A N   1 
ATOM   584  C  CA  . THR A 1 79  ? 27.462 6.006  -10.100 1.00 35.98  ? 89  THR A CA  1 
ATOM   585  C  C   . THR A 1 79  ? 25.952 6.240  -10.117 1.00 37.85  ? 89  THR A C   1 
ATOM   586  O  O   . THR A 1 79  ? 25.353 6.365  -11.189 1.00 35.55  ? 89  THR A O   1 
ATOM   587  C  CB  . THR A 1 79  ? 27.844 4.542  -9.874  1.00 35.95  ? 89  THR A CB  1 
ATOM   588  O  OG1 . THR A 1 79  ? 29.260 4.407  -10.005 1.00 33.92  ? 89  THR A OG1 1 
ATOM   589  C  CG2 . THR A 1 79  ? 27.158 3.593  -10.836 1.00 33.86  ? 89  THR A CG2 1 
ATOM   590  N  N   . VAL A 1 80  ? 25.357 6.283  -8.922  1.00 34.16  ? 90  VAL A N   1 
ATOM   591  C  CA  . VAL A 1 80  ? 23.929 6.516  -8.785  1.00 35.71  ? 90  VAL A CA  1 
ATOM   592  C  C   . VAL A 1 80  ? 23.576 7.882  -9.348  1.00 32.44  ? 90  VAL A C   1 
ATOM   593  O  O   . VAL A 1 80  ? 22.636 8.001  -10.138 1.00 34.06  ? 90  VAL A O   1 
ATOM   594  C  CB  . VAL A 1 80  ? 23.440 6.350  -7.335  1.00 36.59  ? 90  VAL A CB  1 
ATOM   595  C  CG1 . VAL A 1 80  ? 22.014 6.862  -7.145  1.00 42.03  ? 90  VAL A CG1 1 
ATOM   596  C  CG2 . VAL A 1 80  ? 23.580 4.909  -6.872  1.00 38.38  ? 90  VAL A CG2 1 
ATOM   597  N  N   . VAL A 1 81  ? 24.359 8.895  -8.982  1.00 32.55  ? 91  VAL A N   1 
ATOM   598  C  CA  . VAL A 1 81  ? 24.056 10.260 -9.376  1.00 34.72  ? 91  VAL A CA  1 
ATOM   599  C  C   . VAL A 1 81  ? 24.160 10.415 -10.900 1.00 44.94  ? 91  VAL A C   1 
ATOM   600  O  O   . VAL A 1 81  ? 23.253 10.998 -11.519 1.00 39.44  ? 91  VAL A O   1 
ATOM   601  C  CB  . VAL A 1 81  ? 24.929 11.275 -8.624  1.00 35.36  ? 91  VAL A CB  1 
ATOM   602  C  CG1 . VAL A 1 81  ? 24.912 12.658 -9.266  1.00 40.00  ? 91  VAL A CG1 1 
ATOM   603  C  CG2 . VAL A 1 81  ? 24.503 11.369 -7.170  1.00 32.93  ? 91  VAL A CG2 1 
ATOM   604  N  N   . ASN A 1 82  ? 25.265 9.922  -11.488 1.00 37.71  ? 92  ASN A N   1 
ATOM   605  C  CA  . ASN A 1 82  ? 25.499 10.070 -12.924 1.00 43.24  ? 92  ASN A CA  1 
ATOM   606  C  C   . ASN A 1 82  ? 24.431 9.314  -13.713 1.00 41.61  ? 92  ASN A C   1 
ATOM   607  O  O   . ASN A 1 82  ? 23.959 9.805  -14.725 1.00 43.62  ? 92  ASN A O   1 
ATOM   608  C  CB  . ASN A 1 82  ? 26.902 9.607  -13.349 1.00 42.50  ? 92  ASN A CB  1 
ATOM   609  C  CG  . ASN A 1 82  ? 27.987 10.572 -12.924 1.00 44.35  ? 92  ASN A CG  1 
ATOM   610  O  OD1 . ASN A 1 82  ? 27.710 11.758 -12.747 1.00 49.14  ? 92  ASN A OD1 1 
ATOM   611  N  ND2 . ASN A 1 82  ? 29.205 10.075 -12.725 1.00 40.70  ? 92  ASN A ND2 1 
ATOM   612  N  N   . SER A 1 83  ? 24.007 8.156  -13.205 1.00 41.05  ? 93  SER A N   1 
ATOM   613  C  CA  . SER A 1 83  ? 22.992 7.348  -13.857 1.00 41.84  ? 93  SER A CA  1 
ATOM   614  C  C   . SER A 1 83  ? 21.650 8.091  -13.893 1.00 49.23  ? 93  SER A C   1 
ATOM   615  O  O   . SER A 1 83  ? 20.945 8.071  -14.903 1.00 45.03  ? 93  SER A O   1 
ATOM   616  C  CB  . SER A 1 83  ? 22.873 6.035  -13.161 1.00 44.40  ? 93  SER A CB  1 
ATOM   617  O  OG  . SER A 1 83  ? 21.750 5.306  -13.629 1.00 44.63  ? 93  SER A OG  1 
ATOM   618  N  N   . ILE A 1 84  ? 21.274 8.709  -12.769 1.00 44.41  ? 94  ILE A N   1 
ATOM   619  C  CA  . ILE A 1 84  ? 20.020 9.443  -12.675 1.00 44.56  ? 94  ILE A CA  1 
ATOM   620  C  C   . ILE A 1 84  ? 20.079 10.668 -13.585 1.00 46.94  ? 94  ILE A C   1 
ATOM   621  O  O   . ILE A 1 84  ? 19.101 10.937 -14.271 1.00 48.67  ? 94  ILE A O   1 
ATOM   622  C  CB  . ILE A 1 84  ? 19.693 9.834  -11.218 1.00 44.50  ? 94  ILE A CB  1 
ATOM   623  C  CG1 . ILE A 1 84  ? 19.342 8.602  -10.382 1.00 48.06  ? 94  ILE A CG1 1 
ATOM   624  C  CG2 . ILE A 1 84  ? 18.574 10.869 -11.158 1.00 53.81  ? 94  ILE A CG2 1 
ATOM   625  C  CD1 . ILE A 1 84  ? 19.250 8.878  -8.896  1.00 49.72  ? 94  ILE A CD1 1 
ATOM   626  N  N   . CYS A 1 85  ? 21.199 11.407 -13.546 1.00 44.94  ? 95  CYS A N   1 
ATOM   627  C  CA  . CYS A 1 85  ? 21.396 12.603 -14.360 1.00 50.21  ? 95  CYS A CA  1 
ATOM   628  C  C   . CYS A 1 85  ? 21.307 12.252 -15.847 1.00 57.78  ? 95  CYS A C   1 
ATOM   629  O  O   . CYS A 1 85  ? 20.722 13.004 -16.636 1.00 57.17  ? 95  CYS A O   1 
ATOM   630  C  CB  . CYS A 1 85  ? 22.730 13.289 -14.072 1.00 45.53  ? 95  CYS A CB  1 
ATOM   631  S  SG  . CYS A 1 85  ? 22.809 14.152 -12.475 0.97 47.98  ? 95  CYS A SG  1 
ATOM   632  N  N   . ASN A 1 86  ? 21.876 11.097 -16.218 1.00 62.50  ? 96  ASN A N   1 
ATOM   633  C  CA  . ASN A 1 86  ? 21.880 10.649 -17.601 1.00 67.87  ? 96  ASN A CA  1 
ATOM   634  C  C   . ASN A 1 86  ? 20.455 10.258 -17.995 1.00 64.23  ? 96  ASN A C   1 
ATOM   635  O  O   . ASN A 1 86  ? 20.021 10.579 -19.093 1.00 63.79  ? 96  ASN A O   1 
ATOM   636  C  CB  . ASN A 1 86  ? 22.904 9.528  -17.828 1.00 71.25  ? 96  ASN A CB  1 
ATOM   637  C  CG  . ASN A 1 86  ? 23.225 9.271  -19.291 1.00 79.32  ? 96  ASN A CG  1 
ATOM   638  O  OD1 . ASN A 1 86  ? 23.679 10.163 -20.010 1.00 68.68  ? 96  ASN A OD1 1 
ATOM   639  N  ND2 . ASN A 1 86  ? 23.013 8.045  -19.744 1.00 80.90  ? 96  ASN A ND2 1 
ATOM   640  N  N   . THR A 1 87  ? 19.727 9.602  -17.078 1.00 59.97  ? 97  THR A N   1 
ATOM   641  C  CA  . THR A 1 87  ? 18.424 9.029  -17.374 1.00 60.04  ? 97  THR A CA  1 
ATOM   642  C  C   . THR A 1 87  ? 17.314 10.079 -17.365 1.00 62.84  ? 97  THR A C   1 
ATOM   643  O  O   . THR A 1 87  ? 16.421 9.990  -18.196 1.00 59.16  ? 97  THR A O   1 
ATOM   644  C  CB  . THR A 1 87  ? 18.086 7.884  -16.411 1.00 62.68  ? 97  THR A CB  1 
ATOM   645  O  OG1 . THR A 1 87  ? 18.892 6.779  -16.817 1.00 60.45  ? 97  THR A OG1 1 
ATOM   646  C  CG2 . THR A 1 87  ? 16.634 7.454  -16.447 1.00 66.22  ? 97  THR A CG2 1 
ATOM   647  N  N   . THR A 1 88  ? 17.330 11.012 -16.400 1.00 66.04  ? 98  THR A N   1 
ATOM   648  C  CA  . THR A 1 88  ? 16.250 11.979 -16.237 1.00 69.09  ? 98  THR A CA  1 
ATOM   649  C  C   . THR A 1 88  ? 16.611 13.318 -16.872 1.00 69.17  ? 98  THR A C   1 
ATOM   650  O  O   . THR A 1 88  ? 15.738 14.158 -17.059 1.00 74.99  ? 98  THR A O   1 
ATOM   651  C  CB  . THR A 1 88  ? 15.908 12.255 -14.766 1.00 65.49  ? 98  THR A CB  1 
ATOM   652  O  OG1 . THR A 1 88  ? 17.028 12.939 -14.200 1.00 58.57  ? 98  THR A OG1 1 
ATOM   653  C  CG2 . THR A 1 88  ? 15.559 11.008 -13.986 1.00 62.27  ? 98  THR A CG2 1 
ATOM   654  N  N   . GLY A 1 89  ? 17.902 13.535 -17.138 1.00 66.23  ? 99  GLY A N   1 
ATOM   655  C  CA  . GLY A 1 89  ? 18.363 14.761 -17.759 1.00 60.94  ? 99  GLY A CA  1 
ATOM   656  C  C   . GLY A 1 89  ? 18.592 15.905 -16.770 1.00 71.74  ? 99  GLY A C   1 
ATOM   657  O  O   . GLY A 1 89  ? 18.959 16.996 -17.205 1.00 72.40  ? 99  GLY A O   1 
ATOM   658  N  N   . VAL A 1 90  ? 18.419 15.666 -15.455 1.00 67.12  ? 100 VAL A N   1 
ATOM   659  C  CA  . VAL A 1 90  ? 18.599 16.712 -14.452 1.00 62.55  ? 100 VAL A CA  1 
ATOM   660  C  C   . VAL A 1 90  ? 20.086 17.047 -14.355 1.00 65.76  ? 100 VAL A C   1 
ATOM   661  O  O   . VAL A 1 90  ? 20.930 16.204 -14.646 1.00 70.00  ? 100 VAL A O   1 
ATOM   662  C  CB  . VAL A 1 90  ? 18.021 16.331 -13.072 1.00 71.59  ? 100 VAL A CB  1 
ATOM   663  C  CG1 . VAL A 1 90  ? 16.529 16.030 -13.135 1.00 73.32  ? 100 VAL A CG1 1 
ATOM   664  C  CG2 . VAL A 1 90  ? 18.772 15.171 -12.433 1.00 73.26  ? 100 VAL A CG2 1 
ATOM   665  N  N   . GLU A 1 91  ? 20.397 18.274 -13.923 1.00 62.16  ? 101 GLU A N   1 
ATOM   666  C  CA  . GLU A 1 91  ? 21.763 18.770 -13.936 1.00 67.67  ? 101 GLU A CA  1 
ATOM   667  C  C   . GLU A 1 91  ? 22.617 17.986 -12.935 1.00 74.32  ? 101 GLU A C   1 
ATOM   668  O  O   . GLU A 1 91  ? 22.149 17.634 -11.849 1.00 70.55  ? 101 GLU A O   1 
ATOM   669  C  CB  . GLU A 1 91  ? 21.785 20.269 -13.620 1.00 73.64  ? 101 GLU A CB  1 
ATOM   670  N  N   . LYS A 1 92  ? 23.877 17.721 -13.316 1.00 65.66  ? 102 LYS A N   1 
ATOM   671  C  CA  . LYS A 1 92  ? 24.833 17.073 -12.430 1.00 63.26  ? 102 LYS A CA  1 
ATOM   672  C  C   . LYS A 1 92  ? 25.239 18.023 -11.305 1.00 59.46  ? 102 LYS A C   1 
ATOM   673  O  O   . LYS A 1 92  ? 25.745 19.114 -11.548 1.00 65.27  ? 102 LYS A O   1 
ATOM   674  C  CB  . LYS A 1 92  ? 26.074 16.627 -13.202 1.00 63.63  ? 102 LYS A CB  1 
ATOM   675  C  CG  . LYS A 1 92  ? 27.117 15.910 -12.358 1.00 67.48  ? 102 LYS A CG  1 
ATOM   676  C  CD  . LYS A 1 92  ? 28.286 15.373 -13.159 1.00 75.54  ? 102 LYS A CD  1 
ATOM   677  C  CE  . LYS A 1 92  ? 29.346 14.741 -12.279 1.00 76.05  ? 102 LYS A CE  1 
ATOM   678  N  NZ  . LYS A 1 92  ? 30.512 14.269 -13.060 1.00 75.68  ? 102 LYS A NZ  1 
ATOM   679  N  N   . PRO A 1 93  ? 25.028 17.651 -10.028 1.00 57.02  ? 103 PRO A N   1 
ATOM   680  C  CA  . PRO A 1 93  ? 25.412 18.516 -8.915  1.00 54.35  ? 103 PRO A CA  1 
ATOM   681  C  C   . PRO A 1 93  ? 26.921 18.511 -8.711  1.00 52.44  ? 103 PRO A C   1 
ATOM   682  O  O   . PRO A 1 93  ? 27.611 17.602 -9.171  1.00 52.11  ? 103 PRO A O   1 
ATOM   683  C  CB  . PRO A 1 93  ? 24.649 17.919 -7.733  1.00 56.53  ? 103 PRO A CB  1 
ATOM   684  C  CG  . PRO A 1 93  ? 24.528 16.459 -8.077  1.00 56.42  ? 103 PRO A CG  1 
ATOM   685  C  CD  . PRO A 1 93  ? 24.377 16.413 -9.584  1.00 61.00  ? 103 PRO A CD  1 
ATOM   686  N  N   . LYS A 1 94  ? 27.410 19.562 -8.053  1.00 51.00  ? 104 LYS A N   1 
ATOM   687  C  CA  . LYS A 1 94  ? 28.829 19.749 -7.815  1.00 52.43  ? 104 LYS A CA  1 
ATOM   688  C  C   . LYS A 1 94  ? 29.257 18.869 -6.646  1.00 53.11  ? 104 LYS A C   1 
ATOM   689  O  O   . LYS A 1 94  ? 30.427 18.501 -6.563  1.00 49.59  ? 104 LYS A O   1 
ATOM   690  C  CB  . LYS A 1 94  ? 29.152 21.219 -7.520  1.00 55.26  ? 104 LYS A CB  1 
ATOM   691  N  N   . PHE A 1 95  ? 28.314 18.597 -5.727  1.00 52.55  ? 105 PHE A N   1 
ATOM   692  C  CA  . PHE A 1 95  ? 28.568 17.801 -4.531  1.00 50.70  ? 105 PHE A CA  1 
ATOM   693  C  C   . PHE A 1 95  ? 27.505 16.709 -4.419  1.00 44.31  ? 105 PHE A C   1 
ATOM   694  O  O   . PHE A 1 95  ? 26.370 16.900 -4.848  1.00 43.89  ? 105 PHE A O   1 
ATOM   695  C  CB  . PHE A 1 95  ? 28.541 18.676 -3.272  1.00 54.91  ? 105 PHE A CB  1 
ATOM   696  C  CG  . PHE A 1 95  ? 29.544 19.806 -3.238  1.00 66.38  ? 105 PHE A CG  1 
ATOM   697  C  CD1 . PHE A 1 95  ? 30.898 19.553 -3.060  1.00 65.16  ? 105 PHE A CD1 1 
ATOM   698  C  CD2 . PHE A 1 95  ? 29.132 21.128 -3.392  1.00 67.56  ? 105 PHE A CD2 1 
ATOM   699  C  CE1 . PHE A 1 95  ? 31.815 20.597 -3.035  1.00 74.04  ? 105 PHE A CE1 1 
ATOM   700  C  CE2 . PHE A 1 95  ? 30.051 22.167 -3.360  1.00 64.13  ? 105 PHE A CE2 1 
ATOM   701  C  CZ  . PHE A 1 95  ? 31.390 21.900 -3.182  0.50 67.60  ? 105 PHE A CZ  1 
ATOM   702  N  N   . LEU A 1 96  ? 27.868 15.571 -3.820  1.00 38.22  ? 106 LEU A N   1 
ATOM   703  C  CA  . LEU A 1 96  ? 26.914 14.501 -3.598  1.00 36.61  ? 106 LEU A CA  1 
ATOM   704  C  C   . LEU A 1 96  ? 25.751 15.018 -2.754  1.00 33.40  ? 106 LEU A C   1 
ATOM   705  O  O   . LEU A 1 96  ? 25.944 15.519 -1.651  1.00 33.51  ? 106 LEU A O   1 
ATOM   706  C  CB  . LEU A 1 96  ? 27.600 13.325 -2.900  1.00 35.61  ? 106 LEU A CB  1 
ATOM   707  C  CG  . LEU A 1 96  ? 28.605 12.535 -3.728  1.00 36.65  ? 106 LEU A CG  1 
ATOM   708  C  CD1 . LEU A 1 96  ? 29.273 11.495 -2.845  1.00 36.05  ? 106 LEU A CD1 1 
ATOM   709  C  CD2 . LEU A 1 96  ? 27.927 11.849 -4.927  1.00 35.26  ? 106 LEU A CD2 1 
ATOM   710  N  N   . PRO A 1 97  ? 24.497 14.882 -3.226  1.00 33.64  ? 107 PRO A N   1 
ATOM   711  C  CA  . PRO A 1 97  ? 23.321 15.119 -2.385  1.00 35.16  ? 107 PRO A CA  1 
ATOM   712  C  C   . PRO A 1 97  ? 23.040 13.878 -1.534  1.00 32.95  ? 107 PRO A C   1 
ATOM   713  O  O   . PRO A 1 97  ? 23.832 12.949 -1.524  1.00 32.70  ? 107 PRO A O   1 
ATOM   714  C  CB  . PRO A 1 97  ? 22.183 15.361 -3.384  1.00 38.35  ? 107 PRO A CB  1 
ATOM   715  C  CG  . PRO A 1 97  ? 22.841 15.319 -4.753  1.00 42.61  ? 107 PRO A CG  1 
ATOM   716  C  CD  . PRO A 1 97  ? 24.128 14.544 -4.598  1.00 36.83  ? 107 PRO A CD  1 
ATOM   717  N  N   . ASP A 1 98  ? 21.889 13.836 -0.871  1.00 31.89  ? 108 ASP A N   1 
ATOM   718  C  CA  . ASP A 1 98  ? 21.576 12.754 0.042   1.00 34.32  ? 108 ASP A CA  1 
ATOM   719  C  C   . ASP A 1 98  ? 20.593 11.759 -0.559  1.00 32.10  ? 108 ASP A C   1 
ATOM   720  O  O   . ASP A 1 98  ? 20.703 10.565 -0.284  1.00 29.89  ? 108 ASP A O   1 
ATOM   721  C  CB  . ASP A 1 98  ? 21.025 13.294 1.354   1.00 36.09  ? 108 ASP A CB  1 
ATOM   722  C  CG  . ASP A 1 98  ? 22.068 14.016 2.183   1.00 35.45  ? 108 ASP A CG  1 
ATOM   723  O  OD1 . ASP A 1 98  ? 23.178 13.457 2.392   1.00 29.48  ? 108 ASP A OD1 1 
ATOM   724  O  OD2 . ASP A 1 98  ? 21.725 15.082 2.687   1.00 33.28  ? 108 ASP A OD2 1 
ATOM   725  N  N   . LEU A 1 99  ? 19.599 12.252 -1.301  1.00 31.99  ? 109 LEU A N   1 
ATOM   726  C  CA  . LEU A 1 99  ? 18.574 11.404 -1.901  1.00 36.42  ? 109 LEU A CA  1 
ATOM   727  C  C   . LEU A 1 99  ? 18.296 11.917 -3.304  1.00 34.36  ? 109 LEU A C   1 
ATOM   728  O  O   . LEU A 1 99  ? 18.713 13.024 -3.650  1.00 35.76  ? 109 LEU A O   1 
ATOM   729  C  CB  . LEU A 1 99  ? 17.268 11.446 -1.097  1.00 35.62  ? 109 LEU A CB  1 
ATOM   730  C  CG  . LEU A 1 99  ? 17.302 10.921 0.336   1.00 38.26  ? 109 LEU A CG  1 
ATOM   731  C  CD1 . LEU A 1 99  ? 15.960 11.163 1.020   1.00 42.99  ? 109 LEU A CD1 1 
ATOM   732  C  CD2 . LEU A 1 99  ? 17.638 9.457  0.411   1.00 39.65  ? 109 LEU A CD2 1 
ATOM   733  N  N   . TYR A 1 100 ? 17.610 11.090 -4.088  1.00 34.19  ? 110 TYR A N   1 
ATOM   734  C  CA  . TYR A 1 100 ? 16.938 11.559 -5.286  1.00 38.81  ? 110 TYR A CA  1 
ATOM   735  C  C   . TYR A 1 100 ? 15.463 11.206 -5.193  1.00 37.78  ? 110 TYR A C   1 
ATOM   736  O  O   . TYR A 1 100 ? 15.122 10.076 -4.879  1.00 39.26  ? 110 TYR A O   1 
ATOM   737  C  CB  . TYR A 1 100 ? 17.468 10.921 -6.569  1.00 43.67  ? 110 TYR A CB  1 
ATOM   738  C  CG  . TYR A 1 100 ? 16.798 11.450 -7.829  1.00 45.51  ? 110 TYR A CG  1 
ATOM   739  C  CD1 . TYR A 1 100 ? 17.085 12.716 -8.313  1.00 47.56  ? 110 TYR A CD1 1 
ATOM   740  C  CD2 . TYR A 1 100 ? 15.871 10.682 -8.523  1.00 49.50  ? 110 TYR A CD2 1 
ATOM   741  C  CE1 . TYR A 1 100 ? 16.475 13.201 -9.455  1.00 50.99  ? 110 TYR A CE1 1 
ATOM   742  C  CE2 . TYR A 1 100 ? 15.262 11.151 -9.674  1.00 51.99  ? 110 TYR A CE2 1 
ATOM   743  C  CZ  . TYR A 1 100 ? 15.577 12.409 -10.147 1.00 48.09  ? 110 TYR A CZ  1 
ATOM   744  O  OH  . TYR A 1 100 ? 15.001 12.904 -11.272 1.00 58.98  ? 110 TYR A OH  1 
ATOM   745  N  N   . ASP A 1 101 ? 14.603 12.181 -5.497  1.00 44.73  ? 111 ASP A N   1 
ATOM   746  C  CA  . ASP A 1 101 ? 13.161 11.986 -5.462  1.00 43.21  ? 111 ASP A CA  1 
ATOM   747  C  C   . ASP A 1 101 ? 12.661 11.724 -6.884  1.00 42.57  ? 111 ASP A C   1 
ATOM   748  O  O   . ASP A 1 101 ? 12.748 12.617 -7.720  1.00 44.63  ? 111 ASP A O   1 
ATOM   749  C  CB  . ASP A 1 101 ? 12.519 13.230 -4.854  1.00 46.70  ? 111 ASP A CB  1 
ATOM   750  C  CG  . ASP A 1 101 ? 11.008 13.194 -4.714  1.00 49.62  ? 111 ASP A CG  1 
ATOM   751  O  OD1 . ASP A 1 101 ? 10.388 12.183 -5.112  1.00 51.94  ? 111 ASP A OD1 1 
ATOM   752  O  OD2 . ASP A 1 101 ? 10.487 14.156 -4.142  1.00 51.68  ? 111 ASP A OD2 1 
ATOM   753  N  N   . TYR A 1 102 ? 12.162 10.502 -7.133  1.00 50.76  ? 112 TYR A N   1 
ATOM   754  C  CA  . TYR A 1 102 ? 11.698 10.067 -8.447  1.00 57.25  ? 112 TYR A CA  1 
ATOM   755  C  C   . TYR A 1 102 ? 10.378 10.754 -8.802  1.00 61.17  ? 112 TYR A C   1 
ATOM   756  O  O   . TYR A 1 102 ? 10.168 11.135 -9.957  1.00 63.69  ? 112 TYR A O   1 
ATOM   757  C  CB  . TYR A 1 102 ? 11.534 8.540  -8.505  1.00 53.41  ? 112 TYR A CB  1 
ATOM   758  C  CG  . TYR A 1 102 ? 12.866 7.820  -8.674  1.00 53.57  ? 112 TYR A CG  1 
ATOM   759  C  CD1 . TYR A 1 102 ? 13.620 7.979  -9.836  1.00 52.28  ? 112 TYR A CD1 1 
ATOM   760  C  CD2 . TYR A 1 102 ? 13.404 7.050  -7.652  1.00 51.03  ? 112 TYR A CD2 1 
ATOM   761  C  CE1 . TYR A 1 102 ? 14.854 7.368  -9.990  1.00 52.49  ? 112 TYR A CE1 1 
ATOM   762  C  CE2 . TYR A 1 102 ? 14.648 6.452  -7.786  1.00 55.08  ? 112 TYR A CE2 1 
ATOM   763  C  CZ  . TYR A 1 102 ? 15.372 6.607  -8.958  1.00 54.52  ? 112 TYR A CZ  1 
ATOM   764  O  OH  . TYR A 1 102 ? 16.589 6.002  -9.088  1.00 54.85  ? 112 TYR A OH  1 
ATOM   765  N  N   . LYS A 1 103 ? 9.487  10.877 -7.807  1.00 60.79  ? 113 LYS A N   1 
ATOM   766  C  CA  . LYS A 1 103 ? 8.217  11.569 -7.980  1.00 59.82  ? 113 LYS A CA  1 
ATOM   767  C  C   . LYS A 1 103 ? 8.465  12.984 -8.493  1.00 56.73  ? 113 LYS A C   1 
ATOM   768  O  O   . LYS A 1 103 ? 7.971  13.342 -9.562  1.00 58.57  ? 113 LYS A O   1 
ATOM   769  C  CB  . LYS A 1 103 ? 7.407  11.615 -6.678  1.00 58.47  ? 113 LYS A CB  1 
ATOM   770  C  CG  . LYS A 1 103 ? 5.929  11.962 -6.851  1.00 58.45  ? 113 LYS A CG  1 
ATOM   771  C  CD  . LYS A 1 103 ? 5.240  12.368 -5.569  0.50 52.69  ? 113 LYS A CD  1 
ATOM   772  C  CE  . LYS A 1 103 ? 3.829  12.870 -5.796  0.50 54.44  ? 113 LYS A CE  1 
ATOM   773  N  NZ  . LYS A 1 103 ? 3.241  13.415 -4.550  0.50 53.91  ? 113 LYS A NZ  1 
ATOM   774  N  N   . GLU A 1 104 ? 9.271  13.763 -7.758  1.00 52.75  ? 114 GLU A N   1 
ATOM   775  C  CA  . GLU A 1 104 ? 9.442  15.183 -8.046  1.00 51.10  ? 114 GLU A CA  1 
ATOM   776  C  C   . GLU A 1 104 ? 10.646 15.461 -8.945  1.00 54.12  ? 114 GLU A C   1 
ATOM   777  O  O   . GLU A 1 104 ? 10.893 16.622 -9.277  1.00 57.77  ? 114 GLU A O   1 
ATOM   778  C  CB  . GLU A 1 104 ? 9.577  15.986 -6.747  1.00 52.92  ? 114 GLU A CB  1 
ATOM   779  C  CG  . GLU A 1 104 ? 8.339  15.911 -5.850  1.00 56.99  ? 114 GLU A CG  1 
ATOM   780  C  CD  . GLU A 1 104 ? 7.106  16.680 -6.323  1.00 60.64  ? 114 GLU A CD  1 
ATOM   781  O  OE1 . GLU A 1 104 ? 5.999  16.380 -5.835  1.00 57.17  ? 114 GLU A OE1 1 
ATOM   782  O  OE2 . GLU A 1 104 ? 7.250  17.574 -7.174  1.00 60.21  ? 114 GLU A OE2 1 
ATOM   783  N  N   . ASN A 1 105 ? 11.403 14.420 -9.312  1.00 53.71  ? 115 ASN A N   1 
ATOM   784  C  CA  . ASN A 1 105 ? 12.554 14.545 -10.202 1.00 58.47  ? 115 ASN A CA  1 
ATOM   785  C  C   . ASN A 1 105 ? 13.507 15.657 -9.745  1.00 55.02  ? 115 ASN A C   1 
ATOM   786  O  O   . ASN A 1 105 ? 13.908 16.533 -10.520 1.00 51.51  ? 115 ASN A O   1 
ATOM   787  C  CB  . ASN A 1 105 ? 12.112 14.685 -11.664 1.00 70.79  ? 115 ASN A CB  1 
ATOM   788  C  CG  . ASN A 1 105 ? 11.556 13.388 -12.216 1.00 74.48  ? 115 ASN A CG  1 
ATOM   789  O  OD1 . ASN A 1 105 ? 10.344 13.249 -12.379 1.00 69.84  ? 115 ASN A OD1 1 
ATOM   790  N  ND2 . ASN A 1 105 ? 12.428 12.412 -12.435 1.00 73.49  ? 115 ASN A ND2 1 
ATOM   791  N  N   . ARG A 1 106 ? 13.942 15.550 -8.486  1.00 49.40  ? 116 ARG A N   1 
ATOM   792  C  CA  . ARG A 1 106 ? 14.949 16.437 -7.939  1.00 43.85  ? 116 ARG A CA  1 
ATOM   793  C  C   . ARG A 1 106 ? 15.783 15.681 -6.909  1.00 39.77  ? 116 ARG A C   1 
ATOM   794  O  O   . ARG A 1 106 ? 15.302 14.748 -6.256  1.00 38.79  ? 116 ARG A O   1 
ATOM   795  C  CB  . ARG A 1 106 ? 14.278 17.650 -7.282  1.00 44.08  ? 116 ARG A CB  1 
ATOM   796  C  CG  . ARG A 1 106 ? 13.250 17.280 -6.215  1.00 47.07  ? 116 ARG A CG  1 
ATOM   797  C  CD  . ARG A 1 106 ? 12.301 18.431 -5.859  1.00 47.22  ? 116 ARG A CD  1 
ATOM   798  N  NE  . ARG A 1 106 ? 11.378 18.092 -4.780  1.00 45.28  ? 116 ARG A NE  1 
ATOM   799  C  CZ  . ARG A 1 106 ? 10.415 18.892 -4.313  1.00 51.55  ? 116 ARG A CZ  1 
ATOM   800  N  NH1 . ARG A 1 106 ? 10.094 20.005 -4.956  1.00 53.04  ? 116 ARG A NH1 1 
ATOM   801  N  NH2 . ARG A 1 106 ? 9.749  18.558 -3.220  1.00 47.40  ? 116 ARG A NH2 1 
ATOM   802  N  N   . PHE A 1 107 ? 17.033 16.111 -6.781  1.00 41.49  ? 117 PHE A N   1 
ATOM   803  C  CA  . PHE A 1 107 ? 17.902 15.705 -5.688  1.00 42.74  ? 117 PHE A CA  1 
ATOM   804  C  C   . PHE A 1 107 ? 17.476 16.427 -4.417  1.00 46.45  ? 117 PHE A C   1 
ATOM   805  O  O   . PHE A 1 107 ? 16.891 17.512 -4.483  1.00 46.31  ? 117 PHE A O   1 
ATOM   806  C  CB  . PHE A 1 107 ? 19.364 16.010 -6.024  1.00 39.20  ? 117 PHE A CB  1 
ATOM   807  C  CG  . PHE A 1 107 ? 19.923 15.115 -7.101  1.00 40.82  ? 117 PHE A CG  1 
ATOM   808  C  CD1 . PHE A 1 107 ? 20.179 13.775 -6.848  1.00 39.03  ? 117 PHE A CD1 1 
ATOM   809  C  CD2 . PHE A 1 107 ? 20.130 15.594 -8.394  1.00 40.82  ? 117 PHE A CD2 1 
ATOM   810  C  CE1 . PHE A 1 107 ? 20.655 12.940 -7.849  1.00 38.70  ? 117 PHE A CE1 1 
ATOM   811  C  CE2 . PHE A 1 107 ? 20.614 14.753 -9.387  1.00 44.07  ? 117 PHE A CE2 1 
ATOM   812  C  CZ  . PHE A 1 107 ? 20.871 13.425 -9.117  1.00 38.33  ? 117 PHE A CZ  1 
ATOM   813  N  N   . ILE A 1 108 ? 17.760 15.797 -3.273  1.00 40.23  ? 118 ILE A N   1 
ATOM   814  C  CA  . ILE A 1 108 ? 17.462 16.362 -1.974  1.00 41.66  ? 118 ILE A CA  1 
ATOM   815  C  C   . ILE A 1 108 ? 18.748 16.381 -1.163  1.00 43.57  ? 118 ILE A C   1 
ATOM   816  O  O   . ILE A 1 108 ? 19.476 15.378 -1.108  1.00 41.00  ? 118 ILE A O   1 
ATOM   817  C  CB  . ILE A 1 108 ? 16.367 15.556 -1.240  1.00 45.35  ? 118 ILE A CB  1 
ATOM   818  C  CG1 . ILE A 1 108 ? 15.067 15.459 -2.040  1.00 48.58  ? 118 ILE A CG1 1 
ATOM   819  C  CG2 . ILE A 1 108 ? 16.119 16.112 0.156   1.00 48.87  ? 118 ILE A CG2 1 
ATOM   820  C  CD1 . ILE A 1 108 ? 14.043 14.526 -1.431  1.00 49.67  ? 118 ILE A CD1 1 
ATOM   821  N  N   . GLU A 1 109 ? 18.976 17.525 -0.511  1.00 37.43  ? 119 GLU A N   1 
ATOM   822  C  CA  . GLU A 1 109 ? 19.962 17.675 0.536   1.00 36.00  ? 119 GLU A CA  1 
ATOM   823  C  C   . GLU A 1 109 ? 19.258 17.733 1.889   1.00 41.14  ? 119 GLU A C   1 
ATOM   824  O  O   . GLU A 1 109 ? 18.357 18.558 2.093   1.00 38.16  ? 119 GLU A O   1 
ATOM   825  C  CB  . GLU A 1 109 ? 20.805 18.919 0.281   1.00 38.70  ? 119 GLU A CB  1 
ATOM   826  C  CG  . GLU A 1 109 ? 21.859 19.201 1.343   1.00 39.79  ? 119 GLU A CG  1 
ATOM   827  C  CD  . GLU A 1 109 ? 22.791 18.043 1.659   1.00 41.81  ? 119 GLU A CD  1 
ATOM   828  O  OE1 . GLU A 1 109 ? 23.236 17.383 0.698   1.00 36.15  ? 119 GLU A OE1 1 
ATOM   829  O  OE2 . GLU A 1 109 ? 23.072 17.820 2.869   1.00 43.75  ? 119 GLU A OE2 1 
ATOM   830  N  N   . ILE A 1 110 ? 19.665 16.825 2.798   1.00 34.93  ? 120 ILE A N   1 
ATOM   831  C  CA  . ILE A 1 110 ? 19.090 16.753 4.121   1.00 35.75  ? 120 ILE A CA  1 
ATOM   832  C  C   . ILE A 1 110 ? 20.055 17.336 5.134   1.00 37.86  ? 120 ILE A C   1 
ATOM   833  O  O   . ILE A 1 110 ? 21.212 16.981 5.175   1.00 37.67  ? 120 ILE A O   1 
ATOM   834  C  CB  . ILE A 1 110 ? 18.683 15.310 4.469   1.00 41.39  ? 120 ILE A CB  1 
ATOM   835  C  CG1 . ILE A 1 110 ? 17.581 14.813 3.535   1.00 42.20  ? 120 ILE A CG1 1 
ATOM   836  C  CG2 . ILE A 1 110 ? 18.260 15.201 5.930   1.00 40.30  ? 120 ILE A CG2 1 
ATOM   837  C  CD1 . ILE A 1 110 ? 17.185 13.378 3.794   1.00 44.41  ? 120 ILE A CD1 1 
ATOM   838  N  N   . GLY A 1 111 ? 19.554 18.232 5.988   1.00 39.04  ? 121 GLY A N   1 
ATOM   839  C  CA  . GLY A 1 111 ? 20.353 18.807 7.053   1.00 36.07  ? 121 GLY A CA  1 
ATOM   840  C  C   . GLY A 1 111 ? 19.737 18.477 8.408   1.00 36.56  ? 121 GLY A C   1 
ATOM   841  O  O   . GLY A 1 111 ? 18.514 18.471 8.554   1.00 37.59  ? 121 GLY A O   1 
ATOM   842  N  N   . VAL A 1 112 ? 20.583 18.141 9.373   1.00 36.59  ? 122 VAL A N   1 
ATOM   843  C  CA  . VAL A 1 112 ? 20.153 18.012 10.756  1.00 38.67  ? 122 VAL A CA  1 
ATOM   844  C  C   . VAL A 1 112 ? 21.066 18.896 11.598  1.00 45.21  ? 122 VAL A C   1 
ATOM   845  O  O   . VAL A 1 112 ? 22.287 18.747 11.522  1.00 39.45  ? 122 VAL A O   1 
ATOM   846  C  CB  . VAL A 1 112 ? 20.239 16.552 11.214  1.00 36.98  ? 122 VAL A CB  1 
ATOM   847  C  CG1 . VAL A 1 112 ? 19.885 16.394 12.679  1.00 39.10  ? 122 VAL A CG1 1 
ATOM   848  C  CG2 . VAL A 1 112 ? 19.380 15.664 10.328  1.00 38.34  ? 122 VAL A CG2 1 
ATOM   849  N  N   . THR A 1 113 ? 20.461 19.778 12.411  1.00 42.05  ? 123 THR A N   1 
ATOM   850  C  CA  . THR A 1 113 ? 21.202 20.795 13.139  1.00 47.17  ? 123 THR A CA  1 
ATOM   851  C  C   . THR A 1 113 ? 20.720 20.865 14.590  1.00 48.06  ? 123 THR A C   1 
ATOM   852  O  O   . THR A 1 113 ? 19.545 20.626 14.875  1.00 46.80  ? 123 THR A O   1 
ATOM   853  C  CB  . THR A 1 113 ? 21.073 22.148 12.419  1.00 49.49  ? 123 THR A CB  1 
ATOM   854  O  OG1 . THR A 1 113 ? 21.790 23.150 13.131  1.00 50.39  ? 123 THR A OG1 1 
ATOM   855  C  CG2 . THR A 1 113 ? 19.643 22.610 12.265  1.00 49.28  ? 123 THR A CG2 1 
ATOM   856  N  N   . ARG A 1 114 ? 21.661 21.168 15.487  1.00 43.89  ? 124 ARG A N   1 
ATOM   857  C  CA  . ARG A 1 114 ? 21.393 21.493 16.876  1.00 50.14  ? 124 ARG A CA  1 
ATOM   858  C  C   . ARG A 1 114 ? 21.268 23.006 17.055  1.00 58.09  ? 124 ARG A C   1 
ATOM   859  O  O   . ARG A 1 114 ? 21.049 23.468 18.171  1.00 58.54  ? 124 ARG A O   1 
ATOM   860  C  CB  . ARG A 1 114 ? 22.558 21.013 17.741  1.00 55.53  ? 124 ARG A CB  1 
ATOM   861  C  CG  . ARG A 1 114 ? 22.767 19.502 17.733  1.00 56.30  ? 124 ARG A CG  1 
ATOM   862  C  CD  . ARG A 1 114 ? 24.228 19.127 17.845  1.00 53.91  ? 124 ARG A CD  1 
ATOM   863  N  NE  . ARG A 1 114 ? 24.826 19.055 16.528  1.00 60.69  ? 124 ARG A NE  1 
ATOM   864  C  CZ  . ARG A 1 114 ? 26.073 18.692 16.278  1.00 53.97  ? 124 ARG A CZ  1 
ATOM   865  N  NH1 . ARG A 1 114 ? 26.929 18.488 17.262  1.00 51.53  ? 124 ARG A NH1 1 
ATOM   866  N  NH2 . ARG A 1 114 ? 26.463 18.585 15.024  1.00 59.64  ? 124 ARG A NH2 1 
ATOM   867  N  N   . ARG A 1 115 ? 21.498 23.759 15.969  1.00 54.46  ? 125 ARG A N   1 
ATOM   868  C  CA  . ARG A 1 115 ? 21.404 25.211 15.957  1.00 61.08  ? 125 ARG A CA  1 
ATOM   869  C  C   . ARG A 1 115 ? 20.042 25.598 15.388  1.00 58.99  ? 125 ARG A C   1 
ATOM   870  O  O   . ARG A 1 115 ? 19.160 24.757 15.275  1.00 67.30  ? 125 ARG A O   1 
ATOM   871  C  CB  . ARG A 1 115 ? 22.567 25.801 15.150  1.00 61.68  ? 125 ARG A CB  1 
ATOM   872  C  CG  . ARG A 1 115 ? 23.941 25.544 15.761  1.00 68.45  ? 125 ARG A CG  1 
ATOM   873  C  CD  . ARG A 1 115 ? 25.077 26.189 14.976  1.00 76.64  ? 125 ARG A CD  1 
ATOM   874  N  NE  . ARG A 1 115 ? 25.305 25.551 13.678  1.00 80.94  ? 125 ARG A NE  1 
ATOM   875  C  CZ  . ARG A 1 115 ? 25.518 26.177 12.520  1.00 80.15  ? 125 ARG A CZ  1 
ATOM   876  N  NH1 . ARG A 1 115 ? 25.700 27.486 12.476  1.00 76.83  ? 125 ARG A NH1 1 
ATOM   877  N  NH2 . ARG A 1 115 ? 25.582 25.475 11.400  1.00 75.14  ? 125 ARG A NH2 1 
ATOM   878  N  N   . GLU A 1 116 ? 19.879 26.872 15.022  1.00 61.54  ? 126 GLU A N   1 
ATOM   879  C  CA  . GLU A 1 116 ? 18.636 27.362 14.448  1.00 58.72  ? 126 GLU A CA  1 
ATOM   880  C  C   . GLU A 1 116 ? 18.571 26.926 12.985  1.00 56.28  ? 126 GLU A C   1 
ATOM   881  O  O   . GLU A 1 116 ? 19.599 26.891 12.305  1.00 58.15  ? 126 GLU A O   1 
ATOM   882  C  CB  . GLU A 1 116 ? 18.580 28.884 14.635  1.00 63.28  ? 126 GLU A CB  1 
ATOM   883  C  CG  . GLU A 1 116 ? 17.178 29.472 14.658  1.00 61.40  ? 126 GLU A CG  1 
ATOM   884  C  CD  . GLU A 1 116 ? 16.541 29.665 13.292  1.00 63.83  ? 126 GLU A CD  1 
ATOM   885  O  OE1 . GLU A 1 116 ? 17.251 30.144 12.383  1.00 71.43  ? 126 GLU A OE1 1 
ATOM   886  O  OE2 . GLU A 1 116 ? 15.338 29.345 13.136  1.00 68.56  ? 126 GLU A OE2 1 
ATOM   887  N  N   . VAL A 1 117 ? 17.353 26.632 12.503  1.00 53.06  ? 127 VAL A N   1 
ATOM   888  C  CA  . VAL A 1 117 ? 17.159 25.982 11.213  1.00 54.31  ? 127 VAL A CA  1 
ATOM   889  C  C   . VAL A 1 117 ? 17.457 26.941 10.061  1.00 57.79  ? 127 VAL A C   1 
ATOM   890  O  O   . VAL A 1 117 ? 18.029 26.520 9.056   1.00 50.45  ? 127 VAL A O   1 
ATOM   891  C  CB  . VAL A 1 117 ? 15.762 25.349 11.068  1.00 52.27  ? 127 VAL A CB  1 
ATOM   892  C  CG1 . VAL A 1 117 ? 15.618 24.143 11.976  1.00 52.56  ? 127 VAL A CG1 1 
ATOM   893  C  CG2 . VAL A 1 117 ? 14.620 26.336 11.282  1.00 54.49  ? 127 VAL A CG2 1 
ATOM   894  N  N   . HIS A 1 118 ? 17.079 28.223 10.200  1.00 57.49  ? 128 HIS A N   1 
ATOM   895  C  CA  . HIS A 1 118 ? 17.250 29.188 9.123   1.00 54.21  ? 128 HIS A CA  1 
ATOM   896  C  C   . HIS A 1 118 ? 18.739 29.400 8.848   1.00 43.18  ? 128 HIS A C   1 
ATOM   897  O  O   . HIS A 1 118 ? 19.143 29.640 7.719   1.00 48.25  ? 128 HIS A O   1 
ATOM   898  C  CB  . HIS A 1 118 ? 16.547 30.520 9.429   1.00 61.29  ? 128 HIS A CB  1 
ATOM   899  C  CG  . HIS A 1 118 ? 15.056 30.446 9.580   1.00 66.06  ? 128 HIS A CG  1 
ATOM   900  N  ND1 . HIS A 1 118 ? 14.411 29.845 10.640  1.00 68.82  ? 128 HIS A ND1 1 
ATOM   901  C  CD2 . HIS A 1 118 ? 14.082 30.966 8.808   1.00 72.15  ? 128 HIS A CD2 1 
ATOM   902  C  CE1 . HIS A 1 118 ? 13.095 29.976 10.490  1.00 69.08  ? 128 HIS A CE1 1 
ATOM   903  N  NE2 . HIS A 1 118 ? 12.874 30.656 9.385   1.00 67.78  ? 128 HIS A NE2 1 
ATOM   904  N  N   . ILE A 1 119 ? 19.556 29.330 9.892   1.00 45.44  ? 129 ILE A N   1 
ATOM   905  C  CA  . ILE A 1 119 ? 20.996 29.512 9.744   1.00 52.38  ? 129 ILE A CA  1 
ATOM   906  C  C   . ILE A 1 119 ? 21.574 28.378 8.890   1.00 50.78  ? 129 ILE A C   1 
ATOM   907  O  O   . ILE A 1 119 ? 22.358 28.606 7.959   1.00 47.96  ? 129 ILE A O   1 
ATOM   908  C  CB  . ILE A 1 119 ? 21.677 29.577 11.126  1.00 58.95  ? 129 ILE A CB  1 
ATOM   909  C  CG1 . ILE A 1 119 ? 20.993 30.579 12.066  1.00 62.17  ? 129 ILE A CG1 1 
ATOM   910  C  CG2 . ILE A 1 119 ? 23.161 29.870 10.960  1.00 63.60  ? 129 ILE A CG2 1 
ATOM   911  C  CD1 . ILE A 1 119 ? 21.541 30.596 13.483  1.00 62.14  ? 129 ILE A CD1 1 
ATOM   912  N  N   . TYR A 1 120 ? 21.176 27.143 9.212   1.00 52.48  ? 130 TYR A N   1 
ATOM   913  C  CA  . TYR A 1 120 ? 21.728 25.976 8.540   1.00 57.69  ? 130 TYR A CA  1 
ATOM   914  C  C   . TYR A 1 120 ? 21.195 25.917 7.112   1.00 50.57  ? 130 TYR A C   1 
ATOM   915  O  O   . TYR A 1 120 ? 21.949 25.639 6.187   1.00 54.87  ? 130 TYR A O   1 
ATOM   916  C  CB  . TYR A 1 120 ? 21.447 24.722 9.381   1.00 60.63  ? 130 TYR A CB  1 
ATOM   917  C  CG  . TYR A 1 120 ? 22.292 23.502 9.032   1.00 56.62  ? 130 TYR A CG  1 
ATOM   918  C  CD1 . TYR A 1 120 ? 23.674 23.582 8.891   1.00 63.65  ? 130 TYR A CD1 1 
ATOM   919  C  CD2 . TYR A 1 120 ? 21.705 22.257 8.859   1.00 56.21  ? 130 TYR A CD2 1 
ATOM   920  C  CE1 . TYR A 1 120 ? 24.436 22.467 8.559   1.00 68.00  ? 130 TYR A CE1 1 
ATOM   921  C  CE2 . TYR A 1 120 ? 22.454 21.135 8.549   1.00 54.24  ? 130 TYR A CE2 1 
ATOM   922  C  CZ  . TYR A 1 120 ? 23.823 21.233 8.404   1.00 60.61  ? 130 TYR A CZ  1 
ATOM   923  O  OH  . TYR A 1 120 ? 24.520 20.102 8.085   1.00 57.94  ? 130 TYR A OH  1 
ATOM   924  N  N   . TYR A 1 121 ? 19.906 26.224 6.920   1.00 52.43  ? 131 TYR A N   1 
ATOM   925  C  CA  . TYR A 1 121 ? 19.320 26.218 5.587   1.00 49.28  ? 131 TYR A CA  1 
ATOM   926  C  C   . TYR A 1 121 ? 20.099 27.154 4.668   1.00 56.84  ? 131 TYR A C   1 
ATOM   927  O  O   . TYR A 1 121 ? 20.264 26.884 3.475   1.00 53.35  ? 131 TYR A O   1 
ATOM   928  C  CB  . TYR A 1 121 ? 17.845 26.629 5.594   1.00 48.32  ? 131 TYR A CB  1 
ATOM   929  C  CG  . TYR A 1 121 ? 17.255 26.684 4.192   1.00 51.13  ? 131 TYR A CG  1 
ATOM   930  C  CD1 . TYR A 1 121 ? 17.539 27.740 3.332   1.00 56.70  ? 131 TYR A CD1 1 
ATOM   931  C  CD2 . TYR A 1 121 ? 16.488 25.643 3.691   1.00 52.34  ? 131 TYR A CD2 1 
ATOM   932  C  CE1 . TYR A 1 121 ? 17.049 27.777 2.037   1.00 50.76  ? 131 TYR A CE1 1 
ATOM   933  C  CE2 . TYR A 1 121 ? 15.999 25.665 2.395   1.00 49.19  ? 131 TYR A CE2 1 
ATOM   934  C  CZ  . TYR A 1 121 ? 16.270 26.740 1.567   1.00 53.26  ? 131 TYR A CZ  1 
ATOM   935  O  OH  . TYR A 1 121 ? 15.781 26.788 0.283   1.00 56.10  ? 131 TYR A OH  1 
ATOM   936  N  N   . LEU A 1 122 ? 20.535 28.285 5.225   1.00 58.49  ? 132 LEU A N   1 
ATOM   937  C  CA  . LEU A 1 122 ? 21.235 29.281 4.438   1.00 62.35  ? 132 LEU A CA  1 
ATOM   938  C  C   . LEU A 1 122 ? 22.662 28.829 4.133   1.00 57.67  ? 132 LEU A C   1 
ATOM   939  O  O   . LEU A 1 122 ? 23.161 29.042 3.033   1.00 52.65  ? 132 LEU A O   1 
ATOM   940  C  CB  . LEU A 1 122 ? 21.218 30.594 5.212   1.00 61.76  ? 132 LEU A CB  1 
ATOM   941  C  CG  . LEU A 1 122 ? 21.462 31.816 4.348   1.00 67.73  ? 132 LEU A CG  1 
ATOM   942  C  CD1 . LEU A 1 122 ? 20.282 32.110 3.437   1.00 65.16  ? 132 LEU A CD1 1 
ATOM   943  C  CD2 . LEU A 1 122 ? 21.720 32.987 5.234   1.00 73.21  ? 132 LEU A CD2 1 
ATOM   944  N  N   . GLU A 1 123 ? 23.308 28.169 5.092   1.00 58.81  ? 133 GLU A N   1 
ATOM   945  C  CA  . GLU A 1 123 ? 24.638 27.622 4.853   1.00 56.50  ? 133 GLU A CA  1 
ATOM   946  C  C   . GLU A 1 123 ? 24.600 26.587 3.733   1.00 53.26  ? 133 GLU A C   1 
ATOM   947  O  O   . GLU A 1 123 ? 25.489 26.573 2.888   1.00 66.55  ? 133 GLU A O   1 
ATOM   948  C  CB  . GLU A 1 123 ? 25.209 27.016 6.128   1.00 60.73  ? 133 GLU A CB  1 
ATOM   949  C  CG  . GLU A 1 123 ? 25.514 28.054 7.176   1.00 64.64  ? 133 GLU A CG  1 
ATOM   950  C  CD  . GLU A 1 123 ? 26.220 27.503 8.403   1.00 71.46  ? 133 GLU A CD  1 
ATOM   951  O  OE1 . GLU A 1 123 ? 27.212 28.109 8.814   1.00 71.15  ? 133 GLU A OE1 1 
ATOM   952  O  OE2 . GLU A 1 123 ? 25.780 26.459 8.936   1.00 76.92  ? 133 GLU A OE2 1 
ATOM   953  N  N   . LYS A 1 124 ? 23.541 25.769 3.696   1.00 55.03  ? 134 LYS A N   1 
ATOM   954  C  CA  . LYS A 1 124 ? 23.390 24.733 2.683   1.00 56.25  ? 134 LYS A CA  1 
ATOM   955  C  C   . LYS A 1 124 ? 23.212 25.343 1.301   1.00 56.45  ? 134 LYS A C   1 
ATOM   956  O  O   . LYS A 1 124 ? 23.792 24.852 0.333   1.00 56.04  ? 134 LYS A O   1 
ATOM   957  C  CB  . LYS A 1 124 ? 22.175 23.841 2.962   1.00 57.73  ? 134 LYS A CB  1 
ATOM   958  C  CG  . LYS A 1 124 ? 22.353 22.804 4.061   1.00 57.47  ? 134 LYS A CG  1 
ATOM   959  C  CD  . LYS A 1 124 ? 23.291 21.677 3.710   1.00 50.31  ? 134 LYS A CD  1 
ATOM   960  C  CE  . LYS A 1 124 ? 23.354 20.636 4.811   1.00 47.13  ? 134 LYS A CE  1 
ATOM   961  N  NZ  . LYS A 1 124 ? 24.461 19.682 4.580   1.00 43.97  ? 134 LYS A NZ  1 
ATOM   962  N  N   . ALA A 1 125 ? 22.375 26.382 1.226   1.00 59.44  ? 135 ALA A N   1 
ATOM   963  C  CA  . ALA A 1 125 ? 22.117 27.093 -0.017  1.00 67.78  ? 135 ALA A CA  1 
ATOM   964  C  C   . ALA A 1 125 ? 23.390 27.742 -0.566  1.00 68.56  ? 135 ALA A C   1 
ATOM   965  O  O   . ALA A 1 125 ? 23.507 27.916 -1.774  1.00 71.27  ? 135 ALA A O   1 
ATOM   966  C  CB  . ALA A 1 125 ? 21.031 28.122 0.196   1.00 63.96  ? 135 ALA A CB  1 
ATOM   967  N  N   . ASN A 1 126 ? 24.323 28.119 0.317   1.00 73.40  ? 136 ASN A N   1 
ATOM   968  C  CA  . ASN A 1 126 ? 25.566 28.759 -0.097  1.00 82.29  ? 136 ASN A CA  1 
ATOM   969  C  C   . ASN A 1 126 ? 26.546 27.729 -0.657  1.00 84.15  ? 136 ASN A C   1 
ATOM   970  O  O   . ASN A 1 126 ? 27.253 28.025 -1.617  1.00 84.17  ? 136 ASN A O   1 
ATOM   971  C  CB  . ASN A 1 126 ? 26.207 29.556 1.041   1.00 85.01  ? 136 ASN A CB  1 
ATOM   972  C  CG  . ASN A 1 126 ? 25.685 30.976 1.116   1.00 96.46  ? 136 ASN A CG  1 
ATOM   973  O  OD1 . ASN A 1 126 ? 26.036 31.808 0.281   1.00 102.39 ? 136 ASN A OD1 1 
ATOM   974  N  ND2 . ASN A 1 126 ? 24.857 31.266 2.108   1.00 100.24 ? 136 ASN A ND2 1 
ATOM   975  N  N   . LYS A 1 127 ? 26.593 26.535 -0.050  1.00 81.38  ? 137 LYS A N   1 
ATOM   976  C  CA  . LYS A 1 127 ? 27.454 25.459 -0.526  1.00 83.01  ? 137 LYS A CA  1 
ATOM   977  C  C   . LYS A 1 127 ? 26.904 24.883 -1.827  1.00 83.96  ? 137 LYS A C   1 
ATOM   978  O  O   . LYS A 1 127 ? 27.643 24.697 -2.790  1.00 88.28  ? 137 LYS A O   1 
ATOM   979  C  CB  . LYS A 1 127 ? 27.570 24.347 0.519   1.00 80.05  ? 137 LYS A CB  1 
ATOM   980  N  N   . ILE A 1 128 ? 25.603 24.581 -1.831  1.00 95.20  ? 138 ILE A N   1 
ATOM   981  C  CA  . ILE A 1 128 ? 24.927 24.090 -3.022  1.00 103.88 ? 138 ILE A CA  1 
ATOM   982  C  C   . ILE A 1 128 ? 25.014 25.154 -4.117  1.00 110.31 ? 138 ILE A C   1 
ATOM   983  O  O   . ILE A 1 128 ? 24.951 26.351 -3.845  1.00 102.96 ? 138 ILE A O   1 
ATOM   984  C  CB  . ILE A 1 128 ? 23.472 23.680 -2.695  1.00 99.50  ? 138 ILE A CB  1 
ATOM   985  C  CG1 . ILE A 1 128 ? 23.444 22.347 -1.940  1.00 92.29  ? 138 ILE A CG1 1 
ATOM   986  C  CG2 . ILE A 1 128 ? 22.596 23.648 -3.944  1.00 98.55  ? 138 ILE A CG2 1 
ATOM   987  C  CD1 . ILE A 1 128 ? 22.058 21.799 -1.680  1.00 82.36  ? 138 ILE A CD1 1 
ATOM   988  N  N   . LYS A 1 129 ? 25.188 24.702 -5.361  1.00 115.28 ? 139 LYS A N   1 
ATOM   989  C  CA  . LYS A 1 129 ? 25.181 25.602 -6.501  1.00 116.59 ? 139 LYS A CA  1 
ATOM   990  C  C   . LYS A 1 129 ? 24.147 25.151 -7.532  1.00 115.99 ? 139 LYS A C   1 
ATOM   991  O  O   . LYS A 1 129 ? 23.873 25.881 -8.482  1.00 121.87 ? 139 LYS A O   1 
ATOM   992  C  CB  . LYS A 1 129 ? 26.587 25.673 -7.107  1.00 114.27 ? 139 LYS A CB  1 
ATOM   993  N  N   . SER A 1 130 ? 23.552 23.969 -7.327  1.00 111.00 ? 140 SER A N   1 
ATOM   994  C  CA  . SER A 1 130 ? 22.700 23.353 -8.331  1.00 105.97 ? 140 SER A CA  1 
ATOM   995  C  C   . SER A 1 130 ? 21.475 24.215 -8.605  1.00 102.90 ? 140 SER A C   1 
ATOM   996  O  O   . SER A 1 130 ? 20.938 24.163 -9.706  1.00 116.66 ? 140 SER A O   1 
ATOM   997  C  CB  . SER A 1 130 ? 22.293 21.961 -7.934  1.00 106.91 ? 140 SER A CB  1 
ATOM   998  O  OG  . SER A 1 130 ? 23.418 21.097 -7.916  1.00 102.90 ? 140 SER A OG  1 
ATOM   999  N  N   . GLU A 1 131 ? 21.011 24.956 -7.590  1.00 94.08  ? 141 GLU A N   1 
ATOM   1000 C  CA  . GLU A 1 131 ? 19.871 25.846 -7.745  1.00 96.38  ? 141 GLU A CA  1 
ATOM   1001 C  C   . GLU A 1 131 ? 18.597 25.057 -8.066  1.00 90.00  ? 141 GLU A C   1 
ATOM   1002 O  O   . GLU A 1 131 ? 17.523 25.644 -8.170  1.00 88.18  ? 141 GLU A O   1 
ATOM   1003 C  CB  . GLU A 1 131 ? 20.161 26.879 -8.838  1.00 99.05  ? 141 GLU A CB  1 
ATOM   1004 N  N   . LYS A 1 132 ? 18.723 23.735 -8.252  1.00 83.48  ? 142 LYS A N   1 
ATOM   1005 C  CA  . LYS A 1 132 ? 17.579 22.861 -8.458  1.00 74.53  ? 142 LYS A CA  1 
ATOM   1006 C  C   . LYS A 1 132 ? 17.563 21.758 -7.401  1.00 63.48  ? 142 LYS A C   1 
ATOM   1007 O  O   . LYS A 1 132 ? 16.547 21.083 -7.250  1.00 68.11  ? 142 LYS A O   1 
ATOM   1008 C  CB  . LYS A 1 132 ? 17.616 22.250 -9.863  1.00 77.90  ? 142 LYS A CB  1 
ATOM   1009 N  N   . THR A 1 133 ? 18.678 21.571 -6.678  1.00 58.01  ? 143 THR A N   1 
ATOM   1010 C  CA  . THR A 1 133 ? 18.673 20.662 -5.544  1.00 55.26  ? 143 THR A CA  1 
ATOM   1011 C  C   . THR A 1 133 ? 17.847 21.282 -4.431  1.00 53.98  ? 143 THR A C   1 
ATOM   1012 O  O   . THR A 1 133 ? 17.997 22.441 -4.068  1.00 53.08  ? 143 THR A O   1 
ATOM   1013 C  CB  . THR A 1 133 ? 20.059 20.298 -5.007  1.00 52.17  ? 143 THR A CB  1 
ATOM   1014 O  OG1 . THR A 1 133 ? 20.703 19.620 -6.080  1.00 58.10  ? 143 THR A OG1 1 
ATOM   1015 C  CG2 . THR A 1 133 ? 20.022 19.404 -3.781  1.00 50.90  ? 143 THR A CG2 1 
ATOM   1016 N  N   . HIS A 1 134 ? 17.015 20.429 -3.864  1.00 49.91  ? 144 HIS A N   1 
ATOM   1017 C  CA  . HIS A 1 134 ? 16.033 20.827 -2.893  1.00 48.99  ? 144 HIS A CA  1 
ATOM   1018 C  C   . HIS A 1 134 ? 16.642 20.611 -1.511  1.00 50.98  ? 144 HIS A C   1 
ATOM   1019 O  O   . HIS A 1 134 ? 17.340 19.615 -1.311  1.00 46.44  ? 144 HIS A O   1 
ATOM   1020 C  CB  . HIS A 1 134 ? 14.823 19.966 -3.220  1.00 52.75  ? 144 HIS A CB  1 
ATOM   1021 C  CG  . HIS A 1 134 ? 13.553 20.510 -2.717  1.00 53.58  ? 144 HIS A CG  1 
ATOM   1022 N  ND1 . HIS A 1 134 ? 12.799 21.341 -3.519  1.00 54.16  ? 144 HIS A ND1 1 
ATOM   1023 C  CD2 . HIS A 1 134 ? 12.905 20.395 -1.562  1.00 51.87  ? 144 HIS A CD2 1 
ATOM   1024 C  CE1 . HIS A 1 134 ? 11.713 21.708 -2.851  1.00 53.11  ? 144 HIS A CE1 1 
ATOM   1025 N  NE2 . HIS A 1 134 ? 11.747 21.138 -1.668  1.00 52.66  ? 144 HIS A NE2 1 
ATOM   1026 N  N   . ILE A 1 135 ? 16.420 21.542 -0.573  1.00 42.75  ? 145 ILE A N   1 
ATOM   1027 C  CA  . ILE A 1 135 ? 17.009 21.442 0.756   1.00 41.01  ? 145 ILE A CA  1 
ATOM   1028 C  C   . ILE A 1 135 ? 15.892 21.195 1.776   1.00 48.14  ? 145 ILE A C   1 
ATOM   1029 O  O   . ILE A 1 135 ? 14.824 21.820 1.711   1.00 42.28  ? 145 ILE A O   1 
ATOM   1030 C  CB  . ILE A 1 135 ? 17.834 22.706 1.062   1.00 41.35  ? 145 ILE A CB  1 
ATOM   1031 C  CG1 . ILE A 1 135 ? 18.923 22.930 0.013   1.00 49.53  ? 145 ILE A CG1 1 
ATOM   1032 C  CG2 . ILE A 1 135 ? 18.418 22.665 2.460   1.00 43.11  ? 145 ILE A CG2 1 
ATOM   1033 C  CD1 . ILE A 1 135 ? 19.522 24.327 0.026   1.00 51.90  ? 145 ILE A CD1 1 
ATOM   1034 N  N   . HIS A 1 136 ? 16.118 20.247 2.699   1.00 38.02  ? 146 HIS A N   1 
ATOM   1035 C  CA  . HIS A 1 136 ? 15.212 20.016 3.809   1.00 38.89  ? 146 HIS A CA  1 
ATOM   1036 C  C   . HIS A 1 136 ? 16.029 19.909 5.085   1.00 42.91  ? 146 HIS A C   1 
ATOM   1037 O  O   . HIS A 1 136 ? 16.928 19.067 5.151   1.00 49.08  ? 146 HIS A O   1 
ATOM   1038 C  CB  . HIS A 1 136 ? 14.396 18.747 3.551   1.00 41.57  ? 146 HIS A CB  1 
ATOM   1039 C  CG  . HIS A 1 136 ? 13.178 18.620 4.381   1.00 39.17  ? 146 HIS A CG  1 
ATOM   1040 N  ND1 . HIS A 1 136 ? 12.032 18.019 3.897   1.00 40.02  ? 146 HIS A ND1 1 
ATOM   1041 C  CD2 . HIS A 1 136 ? 12.922 18.964 5.663   1.00 39.81  ? 146 HIS A CD2 1 
ATOM   1042 C  CE1 . HIS A 1 136 ? 11.126 17.989 4.869   1.00 39.84  ? 146 HIS A CE1 1 
ATOM   1043 N  NE2 . HIS A 1 136 ? 11.641 18.561 5.950   1.00 36.64  ? 146 HIS A NE2 1 
ATOM   1044 N  N   . ILE A 1 137 ? 15.713 20.750 6.081   1.00 39.22  ? 147 ILE A N   1 
ATOM   1045 C  CA  . ILE A 1 137 ? 16.445 20.819 7.339   1.00 40.00  ? 147 ILE A CA  1 
ATOM   1046 C  C   . ILE A 1 137 ? 15.531 20.378 8.479   1.00 45.50  ? 147 ILE A C   1 
ATOM   1047 O  O   . ILE A 1 137 ? 14.364 20.792 8.535   1.00 45.40  ? 147 ILE A O   1 
ATOM   1048 C  CB  . ILE A 1 137 ? 16.948 22.255 7.606   1.00 38.80  ? 147 ILE A CB  1 
ATOM   1049 C  CG1 . ILE A 1 137 ? 17.702 22.863 6.424   1.00 42.60  ? 147 ILE A CG1 1 
ATOM   1050 C  CG2 . ILE A 1 137 ? 17.764 22.333 8.893   1.00 45.53  ? 147 ILE A CG2 1 
ATOM   1051 C  CD1 . ILE A 1 137 ? 19.008 22.171 6.086   1.00 42.79  ? 147 ILE A CD1 1 
ATOM   1052 N  N   . PHE A 1 138 ? 16.086 19.602 9.423   1.00 41.58  ? 148 PHE A N   1 
ATOM   1053 C  CA  . PHE A 1 138 ? 15.417 19.256 10.669  1.00 40.54  ? 148 PHE A CA  1 
ATOM   1054 C  C   . PHE A 1 138 ? 16.289 19.730 11.824  1.00 44.39  ? 148 PHE A C   1 
ATOM   1055 O  O   . PHE A 1 138 ? 17.491 19.836 11.650  1.00 42.85  ? 148 PHE A O   1 
ATOM   1056 C  CB  . PHE A 1 138 ? 15.161 17.749 10.799  1.00 39.71  ? 148 PHE A CB  1 
ATOM   1057 C  CG  . PHE A 1 138 ? 14.328 17.137 9.706   1.00 44.59  ? 148 PHE A CG  1 
ATOM   1058 C  CD1 . PHE A 1 138 ? 14.905 16.719 8.514   1.00 40.23  ? 148 PHE A CD1 1 
ATOM   1059 C  CD2 . PHE A 1 138 ? 12.955 17.004 9.853   1.00 42.56  ? 148 PHE A CD2 1 
ATOM   1060 C  CE1 . PHE A 1 138 ? 14.130 16.165 7.509   1.00 43.79  ? 148 PHE A CE1 1 
ATOM   1061 C  CE2 . PHE A 1 138 ? 12.184 16.453 8.844   1.00 43.69  ? 148 PHE A CE2 1 
ATOM   1062 C  CZ  . PHE A 1 138 ? 12.770 16.032 7.672   1.00 42.01  ? 148 PHE A CZ  1 
ATOM   1063 N  N   . SER A 1 139 ? 15.674 20.016 12.981  1.00 45.12  ? 149 SER A N   1 
ATOM   1064 C  CA  . SER A 1 139 ? 16.373 20.249 14.239  1.00 43.21  ? 149 SER A CA  1 
ATOM   1065 C  C   . SER A 1 139 ? 15.974 19.193 15.272  1.00 42.63  ? 149 SER A C   1 
ATOM   1066 O  O   . SER A 1 139 ? 15.107 18.360 15.031  1.00 46.28  ? 149 SER A O   1 
ATOM   1067 C  CB  . SER A 1 139 ? 16.073 21.615 14.787  1.00 50.31  ? 149 SER A CB  1 
ATOM   1068 O  OG  . SER A 1 139 ? 14.766 21.630 15.365  1.00 53.29  ? 149 SER A OG  1 
ATOM   1069 N  N   . PHE A 1 140 ? 16.621 19.216 16.440  1.00 46.63  ? 150 PHE A N   1 
ATOM   1070 C  CA  . PHE A 1 140 ? 16.245 18.320 17.532  1.00 50.18  ? 150 PHE A CA  1 
ATOM   1071 C  C   . PHE A 1 140 ? 15.063 18.872 18.351  1.00 57.18  ? 150 PHE A C   1 
ATOM   1072 O  O   . PHE A 1 140 ? 14.520 18.174 19.215  1.00 55.01  ? 150 PHE A O   1 
ATOM   1073 C  CB  . PHE A 1 140 ? 17.467 18.053 18.413  1.00 50.24  ? 150 PHE A CB  1 
ATOM   1074 C  CG  . PHE A 1 140 ? 18.573 17.252 17.762  1.00 46.73  ? 150 PHE A CG  1 
ATOM   1075 C  CD1 . PHE A 1 140 ? 19.476 17.860 16.902  1.00 48.40  ? 150 PHE A CD1 1 
ATOM   1076 C  CD2 . PHE A 1 140 ? 18.729 15.896 18.028  1.00 46.19  ? 150 PHE A CD2 1 
ATOM   1077 C  CE1 . PHE A 1 140 ? 20.497 17.134 16.312  1.00 42.79  ? 150 PHE A CE1 1 
ATOM   1078 C  CE2 . PHE A 1 140 ? 19.756 15.170 17.439  1.00 43.75  ? 150 PHE A CE2 1 
ATOM   1079 C  CZ  . PHE A 1 140 ? 20.646 15.793 16.593  1.00 40.15  ? 150 PHE A CZ  1 
ATOM   1080 N  N   . THR A 1 141 ? 14.659 20.122 18.078  1.00 54.32  ? 151 THR A N   1 
ATOM   1081 C  CA  . THR A 1 141 ? 13.686 20.827 18.899  1.00 59.97  ? 151 THR A CA  1 
ATOM   1082 C  C   . THR A 1 141 ? 12.295 20.704 18.288  1.00 66.05  ? 151 THR A C   1 
ATOM   1083 O  O   . THR A 1 141 ? 11.297 20.873 18.989  1.00 86.48  ? 151 THR A O   1 
ATOM   1084 C  CB  . THR A 1 141 ? 14.068 22.303 19.100  1.00 60.08  ? 151 THR A CB  1 
ATOM   1085 O  OG1 . THR A 1 141 ? 14.163 22.986 17.846  1.00 65.27  ? 151 THR A OG1 1 
ATOM   1086 C  CG2 . THR A 1 141 ? 15.370 22.458 19.854  1.00 62.84  ? 151 THR A CG2 1 
ATOM   1087 N  N   . GLY A 1 142 ? 12.237 20.421 16.981  1.00 62.12  ? 152 GLY A N   1 
ATOM   1088 C  CA  . GLY A 1 142 ? 10.977 20.199 16.289  1.00 54.23  ? 152 GLY A CA  1 
ATOM   1089 C  C   . GLY A 1 142 ? 10.795 21.124 15.094  1.00 56.25  ? 152 GLY A C   1 
ATOM   1090 O  O   . GLY A 1 142 ? 9.865  20.939 14.315  1.00 59.47  ? 152 GLY A O   1 
ATOM   1091 N  N   . GLU A 1 143 ? 11.668 22.136 14.991  1.00 61.58  ? 153 GLU A N   1 
ATOM   1092 C  CA  . GLU A 1 143 ? 11.687 23.042 13.860  1.00 62.24  ? 153 GLU A CA  1 
ATOM   1093 C  C   . GLU A 1 143 ? 11.946 22.240 12.590  1.00 60.44  ? 153 GLU A C   1 
ATOM   1094 O  O   . GLU A 1 143 ? 12.545 21.169 12.611  1.00 58.81  ? 153 GLU A O   1 
ATOM   1095 C  CB  . GLU A 1 143 ? 12.793 24.095 13.993  1.00 72.39  ? 153 GLU A CB  1 
ATOM   1096 C  CG  . GLU A 1 143 ? 12.699 24.986 15.220  1.00 78.63  ? 153 GLU A CG  1 
ATOM   1097 C  CD  . GLU A 1 143 ? 13.757 26.078 15.246  1.00 87.03  ? 153 GLU A CD  1 
ATOM   1098 O  OE1 . GLU A 1 143 ? 14.939 25.781 14.932  1.00 79.22  ? 153 GLU A OE1 1 
ATOM   1099 O  OE2 . GLU A 1 143 ? 13.403 27.228 15.580  1.00 95.67  ? 153 GLU A OE2 1 
ATOM   1100 N  N   . GLU A 1 144 ? 11.540 22.809 11.466  1.00 60.91  ? 154 GLU A N   1 
ATOM   1101 C  CA  . GLU A 1 144 ? 11.676 22.122 10.202  1.00 53.57  ? 154 GLU A CA  1 
ATOM   1102 C  C   . GLU A 1 144 ? 11.515 23.143 9.101   1.00 54.56  ? 154 GLU A C   1 
ATOM   1103 O  O   . GLU A 1 144 ? 10.686 24.041 9.202   1.00 57.52  ? 154 GLU A O   1 
ATOM   1104 C  CB  . GLU A 1 144 ? 10.603 21.053 10.082  1.00 56.83  ? 154 GLU A CB  1 
ATOM   1105 C  CG  . GLU A 1 144 ? 10.727 20.212 8.845   1.00 55.85  ? 154 GLU A CG  1 
ATOM   1106 C  CD  . GLU A 1 144 ? 9.476  19.396 8.601   1.00 60.01  ? 154 GLU A CD  1 
ATOM   1107 O  OE1 . GLU A 1 144 ? 8.557  19.458 9.443   1.00 59.93  ? 154 GLU A OE1 1 
ATOM   1108 O  OE2 . GLU A 1 144 ? 9.418  18.732 7.574   1.00 56.71  ? 154 GLU A OE2 1 
ATOM   1109 N  N   . MET A 1 145 ? 12.313 22.984 8.056   1.00 50.71  ? 155 MET A N   1 
ATOM   1110 C  CA  . MET A 1 145 ? 12.330 23.976 7.010   1.00 52.94  ? 155 MET A CA  1 
ATOM   1111 C  C   . MET A 1 145 ? 12.760 23.348 5.690   1.00 53.41  ? 155 MET A C   1 
ATOM   1112 O  O   . MET A 1 145 ? 13.664 22.515 5.664   1.00 54.98  ? 155 MET A O   1 
ATOM   1113 C  CB  . MET A 1 145 ? 13.309 25.062 7.422   1.00 53.85  ? 155 MET A CB  1 
ATOM   1114 C  CG  . MET A 1 145 ? 13.341 26.150 6.451   1.00 59.33  ? 155 MET A CG  1 
ATOM   1115 S  SD  . MET A 1 145 ? 14.385 27.438 7.051   0.69 56.30  ? 155 MET A SD  1 
ATOM   1116 C  CE  . MET A 1 145 ? 14.347 28.404 5.562   1.00 61.06  ? 155 MET A CE  1 
ATOM   1117 N  N   . ALA A 1 146 ? 12.111 23.764 4.599   1.00 47.37  ? 156 ALA A N   1 
ATOM   1118 C  CA  . ALA A 1 146 ? 12.383 23.218 3.278   1.00 48.75  ? 156 ALA A CA  1 
ATOM   1119 C  C   . ALA A 1 146 ? 12.287 24.313 2.222   1.00 57.41  ? 156 ALA A C   1 
ATOM   1120 O  O   . ALA A 1 146 ? 11.715 25.387 2.456   1.00 55.85  ? 156 ALA A O   1 
ATOM   1121 C  CB  . ALA A 1 146 ? 11.434 22.088 2.968   1.00 52.66  ? 156 ALA A CB  1 
ATOM   1122 N  N   . THR A 1 147 ? 12.861 24.017 1.051   1.00 54.59  ? 157 THR A N   1 
ATOM   1123 C  CA  . THR A 1 147 ? 12.874 24.957 -0.056  1.00 58.88  ? 157 THR A CA  1 
ATOM   1124 C  C   . THR A 1 147 ? 11.434 25.196 -0.506  1.00 61.51  ? 157 THR A C   1 
ATOM   1125 O  O   . THR A 1 147 ? 10.672 24.246 -0.652  1.00 55.00  ? 157 THR A O   1 
ATOM   1126 C  CB  . THR A 1 147 ? 13.767 24.438 -1.193  1.00 63.01  ? 157 THR A CB  1 
ATOM   1127 O  OG1 . THR A 1 147 ? 15.054 24.145 -0.637  1.00 54.21  ? 157 THR A OG1 1 
ATOM   1128 C  CG2 . THR A 1 147 ? 13.894 25.424 -2.340  1.00 56.87  ? 157 THR A CG2 1 
ATOM   1129 N  N   . LYS A 1 148 ? 11.063 26.479 -0.665  1.00 67.75  ? 158 LYS A N   1 
ATOM   1130 C  CA  . LYS A 1 148 ? 9.770  26.894 -1.200  1.00 66.67  ? 158 LYS A CA  1 
ATOM   1131 C  C   . LYS A 1 148 ? 8.628  26.344 -0.348  1.00 59.55  ? 158 LYS A C   1 
ATOM   1132 O  O   . LYS A 1 148 ? 7.503  26.230 -0.837  1.00 71.98  ? 158 LYS A O   1 
ATOM   1133 C  CB  . LYS A 1 148 ? 9.602  26.450 -2.660  1.00 64.25  ? 158 LYS A CB  1 
ATOM   1134 N  N   . ALA A 1 149 ? 8.933  26.006 0.915   1.00 55.50  ? 159 ALA A N   1 
ATOM   1135 C  CA  . ALA A 1 149 ? 7.991  25.431 1.869   1.00 56.96  ? 159 ALA A CA  1 
ATOM   1136 C  C   . ALA A 1 149 ? 7.411  24.109 1.361   1.00 58.33  ? 159 ALA A C   1 
ATOM   1137 O  O   . ALA A 1 149 ? 6.328  23.700 1.784   1.00 54.76  ? 159 ALA A O   1 
ATOM   1138 C  CB  . ALA A 1 149 ? 6.900  26.434 2.199   1.00 67.05  ? 159 ALA A CB  1 
ATOM   1139 N  N   . ASP A 1 150 ? 8.148  23.432 0.465   1.00 58.55  ? 160 ASP A N   1 
ATOM   1140 C  CA  . ASP A 1 150 ? 7.734  22.144 -0.069  1.00 56.89  ? 160 ASP A CA  1 
ATOM   1141 C  C   . ASP A 1 150 ? 8.463  21.069 0.731   1.00 57.94  ? 160 ASP A C   1 
ATOM   1142 O  O   . ASP A 1 150 ? 9.680  20.925 0.593   1.00 54.68  ? 160 ASP A O   1 
ATOM   1143 C  CB  . ASP A 1 150 ? 8.025  22.062 -1.572  1.00 54.72  ? 160 ASP A CB  1 
ATOM   1144 C  CG  . ASP A 1 150 ? 7.602  20.750 -2.201  1.00 53.81  ? 160 ASP A CG  1 
ATOM   1145 O  OD1 . ASP A 1 150 ? 7.168  19.860 -1.455  1.00 56.46  ? 160 ASP A OD1 1 
ATOM   1146 O  OD2 . ASP A 1 150 ? 7.703  20.634 -3.435  1.00 58.92  ? 160 ASP A OD2 1 
ATOM   1147 N  N   . TYR A 1 151 ? 7.705  20.334 1.560   1.00 55.13  ? 161 TYR A N   1 
ATOM   1148 C  CA  . TYR A 1 151 ? 8.261  19.455 2.578   1.00 56.31  ? 161 TYR A CA  1 
ATOM   1149 C  C   . TYR A 1 151 ? 8.310  18.003 2.105   1.00 50.33  ? 161 TYR A C   1 
ATOM   1150 O  O   . TYR A 1 151 ? 8.627  17.093 2.882   1.00 47.41  ? 161 TYR A O   1 
ATOM   1151 C  CB  . TYR A 1 151 ? 7.404  19.616 3.837   1.00 58.16  ? 161 TYR A CB  1 
ATOM   1152 C  CG  . TYR A 1 151 ? 7.561  20.972 4.512   1.00 59.10  ? 161 TYR A CG  1 
ATOM   1153 C  CD1 . TYR A 1 151 ? 8.684  21.268 5.271   1.00 64.94  ? 161 TYR A CD1 1 
ATOM   1154 C  CD2 . TYR A 1 151 ? 6.582  21.951 4.393   1.00 71.08  ? 161 TYR A CD2 1 
ATOM   1155 C  CE1 . TYR A 1 151 ? 8.833  22.492 5.900   1.00 65.17  ? 161 TYR A CE1 1 
ATOM   1156 C  CE2 . TYR A 1 151 ? 6.718  23.187 5.007   1.00 71.03  ? 161 TYR A CE2 1 
ATOM   1157 C  CZ  . TYR A 1 151 ? 7.846  23.457 5.765   1.00 76.89  ? 161 TYR A CZ  1 
ATOM   1158 O  OH  . TYR A 1 151 ? 7.995  24.671 6.377   1.00 69.95  ? 161 TYR A OH  1 
ATOM   1159 N  N   . THR A 1 152 ? 7.924  17.798 0.841   1.00 51.08  ? 162 THR A N   1 
ATOM   1160 C  CA  . THR A 1 152 ? 8.131  16.556 0.114   1.00 48.99  ? 162 THR A CA  1 
ATOM   1161 C  C   . THR A 1 152 ? 7.245  15.446 0.675   1.00 48.22  ? 162 THR A C   1 
ATOM   1162 O  O   . THR A 1 152 ? 6.427  14.904 -0.058  1.00 46.26  ? 162 THR A O   1 
ATOM   1163 C  CB  . THR A 1 152 ? 9.614  16.145 0.077   1.00 45.97  ? 162 THR A CB  1 
ATOM   1164 O  OG1 . THR A 1 152 ? 10.406 17.190 -0.491  1.00 43.49  ? 162 THR A OG1 1 
ATOM   1165 C  CG2 . THR A 1 152 ? 9.823  14.903 -0.752  1.00 48.85  ? 162 THR A CG2 1 
ATOM   1166 N  N   . LEU A 1 153 ? 7.475  15.038 1.925   1.00 48.26  ? 163 LEU A N   1 
ATOM   1167 C  CA  . LEU A 1 153 ? 6.741  13.927 2.509   1.00 51.90  ? 163 LEU A CA  1 
ATOM   1168 C  C   . LEU A 1 153 ? 5.429  14.433 3.111   1.00 56.46  ? 163 LEU A C   1 
ATOM   1169 O  O   . LEU A 1 153 ? 5.261  15.626 3.330   1.00 48.43  ? 163 LEU A O   1 
ATOM   1170 C  CB  . LEU A 1 153 ? 7.605  13.280 3.589   1.00 50.71  ? 163 LEU A CB  1 
ATOM   1171 C  CG  . LEU A 1 153 ? 8.929  12.689 3.112   1.00 51.62  ? 163 LEU A CG  1 
ATOM   1172 C  CD1 . LEU A 1 153 ? 9.819  12.351 4.290   1.00 51.50  ? 163 LEU A CD1 1 
ATOM   1173 C  CD2 . LEU A 1 153 ? 8.691  11.455 2.271   1.00 55.35  ? 163 LEU A CD2 1 
ATOM   1174 N  N   . ASP A 1 154 ? 4.532  13.500 3.431   1.00 59.40  ? 164 ASP A N   1 
ATOM   1175 C  CA  . ASP A 1 154 ? 3.309  13.833 4.140   1.00 62.55  ? 164 ASP A CA  1 
ATOM   1176 C  C   . ASP A 1 154 ? 3.691  14.165 5.582   1.00 63.73  ? 164 ASP A C   1 
ATOM   1177 O  O   . ASP A 1 154 ? 4.864  14.040 5.955   1.00 52.30  ? 164 ASP A O   1 
ATOM   1178 C  CB  . ASP A 1 154 ? 2.262  12.726 3.981   1.00 58.58  ? 164 ASP A CB  1 
ATOM   1179 C  CG  . ASP A 1 154 ? 2.653  11.382 4.562   1.00 66.02  ? 164 ASP A CG  1 
ATOM   1180 O  OD1 . ASP A 1 154 ? 3.049  11.337 5.733   1.00 65.69  ? 164 ASP A OD1 1 
ATOM   1181 O  OD2 . ASP A 1 154 ? 2.519  10.381 3.842   1.00 79.81  ? 164 ASP A OD2 1 
ATOM   1182 N  N   . GLU A 1 155 ? 2.697  14.617 6.361   1.00 56.46  ? 165 GLU A N   1 
ATOM   1183 C  CA  . GLU A 1 155 ? 2.913  15.134 7.702   1.00 53.77  ? 165 GLU A CA  1 
ATOM   1184 C  C   . GLU A 1 155 ? 3.301  13.992 8.638   1.00 56.55  ? 165 GLU A C   1 
ATOM   1185 O  O   . GLU A 1 155 ? 4.098  14.179 9.559   1.00 53.37  ? 165 GLU A O   1 
ATOM   1186 C  CB  . GLU A 1 155 ? 1.652  15.847 8.220   1.00 53.65  ? 165 GLU A CB  1 
ATOM   1187 C  CG  . GLU A 1 155 ? 1.302  17.116 7.465   0.50 53.12  ? 165 GLU A CG  1 
ATOM   1188 C  CD  . GLU A 1 155 ? 0.074  17.828 8.008   0.50 56.06  ? 165 GLU A CD  1 
ATOM   1189 O  OE1 . GLU A 1 155 ? 0.095  18.202 9.191   0.50 56.83  ? 165 GLU A OE1 1 
ATOM   1190 O  OE2 . GLU A 1 155 ? -0.906 17.989 7.255   0.50 56.37  ? 165 GLU A OE2 1 
ATOM   1191 N  N   . GLU A 1 156 ? 2.720  12.807 8.393   1.00 55.54  ? 166 GLU A N   1 
ATOM   1192 C  CA  . GLU A 1 156 ? 2.894  11.655 9.266   1.00 59.01  ? 166 GLU A CA  1 
ATOM   1193 C  C   . GLU A 1 156 ? 4.341  11.155 9.208   1.00 58.53  ? 166 GLU A C   1 
ATOM   1194 O  O   . GLU A 1 156 ? 4.876  10.702 10.218  1.00 53.79  ? 166 GLU A O   1 
ATOM   1195 C  CB  . GLU A 1 156 ? 1.908  10.550 8.880   1.00 66.36  ? 166 GLU A CB  1 
ATOM   1196 C  CG  . GLU A 1 156 ? 0.441  10.910 9.127   0.50 64.60  ? 166 GLU A CG  1 
ATOM   1197 C  CD  . GLU A 1 156 ? -0.213 11.878 8.150   0.50 61.76  ? 166 GLU A CD  1 
ATOM   1198 O  OE1 . GLU A 1 156 ? 0.264  11.986 7.008   0.50 62.12  ? 166 GLU A OE1 1 
ATOM   1199 O  OE2 . GLU A 1 156 ? -1.195 12.543 8.541   0.50 62.87  ? 166 GLU A OE2 1 
ATOM   1200 N  N   . SER A 1 157 ? 4.954  11.214 8.016   1.00 53.42  ? 167 SER A N   1 
ATOM   1201 C  CA  . SER A 1 157 ? 6.323  10.749 7.831   1.00 59.50  ? 167 SER A CA  1 
ATOM   1202 C  C   . SER A 1 157 ? 7.277  11.745 8.490   1.00 53.82  ? 167 SER A C   1 
ATOM   1203 O  O   . SER A 1 157 ? 8.210  11.354 9.183   1.00 51.82  ? 167 SER A O   1 
ATOM   1204 C  CB  . SER A 1 157 ? 6.658  10.549 6.365   1.00 57.30  ? 167 SER A CB  1 
ATOM   1205 O  OG  . SER A 1 157 ? 5.826  9.560  5.777   1.00 59.29  ? 167 SER A OG  1 
ATOM   1206 N  N   . ARG A 1 158 ? 7.004  13.038 8.303   1.00 46.38  ? 168 ARG A N   1 
ATOM   1207 C  CA  . ARG A 1 158 ? 7.846  14.072 8.868   1.00 52.48  ? 168 ARG A CA  1 
ATOM   1208 C  C   . ARG A 1 158 ? 7.746  14.111 10.389  1.00 52.15  ? 168 ARG A C   1 
ATOM   1209 O  O   . ARG A 1 158 ? 8.779  14.197 11.048  1.00 48.29  ? 168 ARG A O   1 
ATOM   1210 C  CB  . ARG A 1 158 ? 7.506  15.420 8.246   1.00 54.12  ? 168 ARG A CB  1 
ATOM   1211 C  CG  . ARG A 1 158 ? 7.854  15.471 6.772   1.00 57.07  ? 168 ARG A CG  1 
ATOM   1212 C  CD  . ARG A 1 158 ? 7.749  16.862 6.209   1.00 61.99  ? 168 ARG A CD  1 
ATOM   1213 N  NE  . ARG A 1 158 ? 6.400  17.386 6.167   1.00 65.35  ? 168 ARG A NE  1 
ATOM   1214 C  CZ  . ARG A 1 158 ? 5.901  18.288 7.006   1.00 73.82  ? 168 ARG A CZ  1 
ATOM   1215 N  NH1 . ARG A 1 158 ? 4.890  19.044 6.619   1.00 73.05  ? 168 ARG A NH1 1 
ATOM   1216 N  NH2 . ARG A 1 158 ? 6.465  18.511 8.181   1.00 73.26  ? 168 ARG A NH2 1 
ATOM   1217 N  N   . ALA A 1 159 ? 6.525  14.026 10.941  1.00 48.39  ? 169 ALA A N   1 
ATOM   1218 C  CA  . ALA A 1 159 ? 6.309  14.118 12.381  1.00 49.60  ? 169 ALA A CA  1 
ATOM   1219 C  C   . ALA A 1 159 ? 7.188  13.092 13.096  1.00 50.67  ? 169 ALA A C   1 
ATOM   1220 O  O   . ALA A 1 159 ? 7.638  13.185 14.229  1.00 57.07  ? 169 ALA A O   1 
ATOM   1221 C  CB  . ALA A 1 159 ? 4.839  13.870 12.667  1.00 55.48  ? 169 ALA A CB  1 
ATOM   1222 N  N   . ARG A 1 160 ? 7.394  12.030 12.379  1.00 49.72  ? 170 ARG A N   1 
ATOM   1223 C  CA  . ARG A 1 160 ? 7.987  10.838 12.911  1.00 52.19  ? 170 ARG A CA  1 
ATOM   1224 C  C   . ARG A 1 160 ? 9.515  10.912 12.882  1.00 41.78  ? 170 ARG A C   1 
ATOM   1225 O  O   . ARG A 1 160 ? 10.181 10.398 13.768  1.00 40.40  ? 170 ARG A O   1 
ATOM   1226 C  CB  . ARG A 1 160 ? 7.375  9.804  11.993  1.00 52.67  ? 170 ARG A CB  1 
ATOM   1227 C  CG  . ARG A 1 160 ? 7.872  8.397  12.214  1.00 60.38  ? 170 ARG A CG  1 
ATOM   1228 C  CD  . ARG A 1 160 ? 7.176  7.579  11.156  1.00 65.89  ? 170 ARG A CD  1 
ATOM   1229 N  NE  . ARG A 1 160 ? 5.747  7.476  11.406  0.50 64.39  ? 170 ARG A NE  1 
ATOM   1230 C  CZ  . ARG A 1 160 ? 4.850  7.079  10.509  0.50 66.28  ? 170 ARG A CZ  1 
ATOM   1231 N  NH1 . ARG A 1 160 ? 5.193  6.914  9.244   0.50 61.13  ? 170 ARG A NH1 1 
ATOM   1232 N  NH2 . ARG A 1 160 ? 3.595  6.877  10.877  0.50 65.40  ? 170 ARG A NH2 1 
ATOM   1233 N  N   . ILE A 1 161 ? 10.072 11.585 11.887  1.00 40.67  ? 171 ILE A N   1 
ATOM   1234 C  CA  . ILE A 1 161 ? 11.473 11.970 11.951  1.00 41.27  ? 171 ILE A CA  1 
ATOM   1235 C  C   . ILE A 1 161 ? 11.676 12.922 13.127  1.00 41.30  ? 171 ILE A C   1 
ATOM   1236 O  O   . ILE A 1 161 ? 12.630 12.798 13.900  1.00 39.66  ? 171 ILE A O   1 
ATOM   1237 C  CB  . ILE A 1 161 ? 11.900 12.599 10.614  1.00 39.16  ? 171 ILE A CB  1 
ATOM   1238 C  CG1 . ILE A 1 161 ? 11.941 11.517 9.522   1.00 41.95  ? 171 ILE A CG1 1 
ATOM   1239 C  CG2 . ILE A 1 161 ? 13.231 13.324 10.777  1.00 38.29  ? 171 ILE A CG2 1 
ATOM   1240 C  CD1 . ILE A 1 161 ? 12.119 12.047 8.116   1.00 43.23  ? 171 ILE A CD1 1 
ATOM   1241 N  N   . LYS A 1 162 ? 10.776 13.899 13.220  1.00 42.91  ? 172 LYS A N   1 
ATOM   1242 C  CA  . LYS A 1 162 ? 10.894 14.975 14.191  1.00 46.81  ? 172 LYS A CA  1 
ATOM   1243 C  C   . LYS A 1 162 ? 10.795 14.392 15.596  1.00 42.17  ? 172 LYS A C   1 
ATOM   1244 O  O   . LYS A 1 162 ? 11.530 14.813 16.487  1.00 43.82  ? 172 LYS A O   1 
ATOM   1245 C  CB  . LYS A 1 162 ? 9.855  16.064 13.891  1.00 47.43  ? 172 LYS A CB  1 
ATOM   1246 C  CG  . LYS A 1 162 ? 10.088 16.822 12.590  1.00 46.33  ? 172 LYS A CG  1 
ATOM   1247 C  CD  . LYS A 1 162 ? 9.128  17.976 12.318  1.00 50.25  ? 172 LYS A CD  1 
ATOM   1248 C  CE  . LYS A 1 162 ? 7.721  17.508 11.980  1.00 57.55  ? 172 LYS A CE  1 
ATOM   1249 N  NZ  . LYS A 1 162 ? 6.808  18.614 11.582  1.00 54.54  ? 172 LYS A NZ  1 
ATOM   1250 N  N   . THR A 1 163 ? 9.959  13.362 15.751  1.00 41.26  ? 173 THR A N   1 
ATOM   1251 C  CA  . THR A 1 163 ? 9.768  12.687 17.021  1.00 45.88  ? 173 THR A CA  1 
ATOM   1252 C  C   . THR A 1 163 ? 11.012 11.875 17.391  1.00 43.25  ? 173 THR A C   1 
ATOM   1253 O  O   . THR A 1 163 ? 11.424 11.834 18.553  1.00 39.64  ? 173 THR A O   1 
ATOM   1254 C  CB  . THR A 1 163 ? 8.476  11.856 16.970  1.00 54.42  ? 173 THR A CB  1 
ATOM   1255 O  OG1 . THR A 1 163 ? 7.370  12.755 16.837  1.00 51.43  ? 173 THR A OG1 1 
ATOM   1256 C  CG2 . THR A 1 163 ? 8.259  10.994 18.192  1.00 55.05  ? 173 THR A CG2 1 
ATOM   1257 N  N   . ARG A 1 164 ? 11.610 11.200 16.402  1.00 42.64  ? 174 ARG A N   1 
ATOM   1258 C  CA  . ARG A 1 164 ? 12.821 10.439 16.647  1.00 39.62  ? 174 ARG A CA  1 
ATOM   1259 C  C   . ARG A 1 164 ? 13.931 11.374 17.156  1.00 33.83  ? 174 ARG A C   1 
ATOM   1260 O  O   . ARG A 1 164 ? 14.620 11.060 18.118  1.00 38.44  ? 174 ARG A O   1 
ATOM   1261 C  CB  . ARG A 1 164 ? 13.220 9.699  15.367  1.00 43.47  ? 174 ARG A CB  1 
ATOM   1262 C  CG  . ARG A 1 164 ? 14.564 8.993  15.454  1.00 42.56  ? 174 ARG A CG  1 
ATOM   1263 C  CD  . ARG A 1 164 ? 14.623 7.936  16.544  1.00 43.27  ? 174 ARG A CD  1 
ATOM   1264 N  NE  . ARG A 1 164 ? 15.904 7.247  16.459  1.00 47.78  ? 174 ARG A NE  1 
ATOM   1265 C  CZ  . ARG A 1 164 ? 16.478 6.513  17.404  1.00 46.78  ? 174 ARG A CZ  1 
ATOM   1266 N  NH1 . ARG A 1 164 ? 15.887 6.294  18.569  1.00 49.11  ? 174 ARG A NH1 1 
ATOM   1267 N  NH2 . ARG A 1 164 ? 17.673 5.997  17.171  1.00 41.69  ? 174 ARG A NH2 1 
ATOM   1268 N  N   . LEU A 1 165 ? 14.104 12.529 16.514  1.00 36.38  ? 175 LEU A N   1 
ATOM   1269 C  CA  . LEU A 1 165 ? 15.126 13.494 16.894  1.00 36.43  ? 175 LEU A CA  1 
ATOM   1270 C  C   . LEU A 1 165 ? 14.855 14.018 18.309  1.00 40.80  ? 175 LEU A C   1 
ATOM   1271 O  O   . LEU A 1 165 ? 15.777 14.205 19.123  1.00 35.04  ? 175 LEU A O   1 
ATOM   1272 C  CB  . LEU A 1 165 ? 15.111 14.617 15.850  1.00 37.19  ? 175 LEU A CB  1 
ATOM   1273 C  CG  . LEU A 1 165 ? 15.745 14.297 14.500  1.00 38.47  ? 175 LEU A CG  1 
ATOM   1274 C  CD1 . LEU A 1 165 ? 15.355 15.314 13.440  1.00 34.55  ? 175 LEU A CD1 1 
ATOM   1275 C  CD2 . LEU A 1 165 ? 17.258 14.230 14.624  1.00 40.17  ? 175 LEU A CD2 1 
ATOM   1276 N  N   . PHE A 1 166 ? 13.561 14.230 18.614  1.00 40.46  ? 176 PHE A N   1 
ATOM   1277 C  CA  . PHE A 1 166 ? 13.175 14.663 19.945  1.00 42.39  ? 176 PHE A CA  1 
ATOM   1278 C  C   . PHE A 1 166 ? 13.632 13.629 20.966  1.00 36.93  ? 176 PHE A C   1 
ATOM   1279 O  O   . PHE A 1 166 ? 14.293 13.963 21.945  1.00 44.32  ? 176 PHE A O   1 
ATOM   1280 C  CB  . PHE A 1 166 ? 11.665 14.917 20.005  1.00 50.16  ? 176 PHE A CB  1 
ATOM   1281 C  CG  . PHE A 1 166 ? 11.165 15.383 21.353  1.00 52.45  ? 176 PHE A CG  1 
ATOM   1282 C  CD1 . PHE A 1 166 ? 11.497 16.637 21.832  1.00 50.87  ? 176 PHE A CD1 1 
ATOM   1283 C  CD2 . PHE A 1 166 ? 10.360 14.570 22.132  1.00 56.56  ? 176 PHE A CD2 1 
ATOM   1284 C  CE1 . PHE A 1 166 ? 11.020 17.074 23.059  1.00 53.34  ? 176 PHE A CE1 1 
ATOM   1285 C  CE2 . PHE A 1 166 ? 9.887  15.005 23.359  1.00 61.10  ? 176 PHE A CE2 1 
ATOM   1286 C  CZ  . PHE A 1 166 ? 10.225 16.254 23.823  1.00 56.87  ? 176 PHE A CZ  1 
ATOM   1287 N  N   . THR A 1 167 ? 13.293 12.367 20.707  1.00 41.13  ? 177 THR A N   1 
ATOM   1288 C  CA  . THR A 1 167 ? 13.632 11.258 21.580  1.00 46.99  ? 177 THR A CA  1 
ATOM   1289 C  C   . THR A 1 167 ? 15.137 11.208 21.838  1.00 47.57  ? 177 THR A C   1 
ATOM   1290 O  O   . THR A 1 167 ? 15.549 10.953 22.964  1.00 43.69  ? 177 THR A O   1 
ATOM   1291 C  CB  . THR A 1 167 ? 13.163 9.929  20.971  1.00 50.64  ? 177 THR A CB  1 
ATOM   1292 O  OG1 . THR A 1 167 ? 11.760 10.013 20.706  1.00 59.40  ? 177 THR A OG1 1 
ATOM   1293 C  CG2 . THR A 1 167 ? 13.433 8.737  21.859  1.00 53.98  ? 177 THR A CG2 1 
ATOM   1294 N  N   . ILE A 1 168 ? 15.949 11.412 20.788  1.00 46.13  ? 178 ILE A N   1 
ATOM   1295 C  CA  . ILE A 1 168 ? 17.404 11.370 20.922  1.00 42.94  ? 178 ILE A CA  1 
ATOM   1296 C  C   . ILE A 1 168 ? 17.871 12.472 21.875  1.00 41.11  ? 178 ILE A C   1 
ATOM   1297 O  O   . ILE A 1 168 ? 18.696 12.206 22.750  1.00 40.36  ? 178 ILE A O   1 
ATOM   1298 C  CB  . ILE A 1 168 ? 18.112 11.456 19.549  1.00 37.64  ? 178 ILE A CB  1 
ATOM   1299 C  CG1 . ILE A 1 168 ? 17.882 10.190 18.720  1.00 38.80  ? 178 ILE A CG1 1 
ATOM   1300 C  CG2 . ILE A 1 168 ? 19.602 11.757 19.703  1.00 39.68  ? 178 ILE A CG2 1 
ATOM   1301 C  CD1 . ILE A 1 168 ? 18.236 10.356 17.245  1.00 39.12  ? 178 ILE A CD1 1 
ATOM   1302 N  N   . ARG A 1 169 ? 17.384 13.702 21.657  1.00 43.85  ? 179 ARG A N   1 
ATOM   1303 C  CA  . ARG A 1 169 ? 17.675 14.840 22.523  1.00 47.33  ? 179 ARG A CA  1 
ATOM   1304 C  C   . ARG A 1 169 ? 17.368 14.505 23.991  1.00 43.76  ? 179 ARG A C   1 
ATOM   1305 O  O   . ARG A 1 169 ? 18.198 14.705 24.886  1.00 44.76  ? 179 ARG A O   1 
ATOM   1306 C  CB  . ARG A 1 169 ? 16.846 16.044 22.066  1.00 50.93  ? 179 ARG A CB  1 
ATOM   1307 C  CG  . ARG A 1 169 ? 17.196 17.361 22.750  1.00 56.37  ? 179 ARG A CG  1 
ATOM   1308 C  CD  . ARG A 1 169 ? 16.082 18.392 22.672  1.00 64.11  ? 179 ARG A CD  1 
ATOM   1309 N  NE  . ARG A 1 169 ? 16.226 19.523 23.595  1.00 68.63  ? 179 ARG A NE  1 
ATOM   1310 C  CZ  . ARG A 1 169 ? 16.224 19.442 24.927  1.00 74.51  ? 179 ARG A CZ  1 
ATOM   1311 N  NH1 . ARG A 1 169 ? 16.004 18.289 25.537  1.00 78.28  ? 179 ARG A NH1 1 
ATOM   1312 N  NH2 . ARG A 1 169 ? 16.414 20.532 25.656  1.00 76.14  ? 179 ARG A NH2 1 
ATOM   1313 N  N   . GLN A 1 170 ? 16.176 13.967 24.233  1.00 44.20  ? 180 GLN A N   1 
ATOM   1314 C  CA  . GLN A 1 170 ? 15.715 13.682 25.590  1.00 50.09  ? 180 GLN A CA  1 
ATOM   1315 C  C   . GLN A 1 170 ? 16.610 12.642 26.266  1.00 52.12  ? 180 GLN A C   1 
ATOM   1316 O  O   . GLN A 1 170 ? 16.945 12.786 27.439  1.00 50.67  ? 180 GLN A O   1 
ATOM   1317 C  CB  . GLN A 1 170 ? 14.255 13.202 25.571  1.00 50.81  ? 180 GLN A CB  1 
ATOM   1318 C  CG  . GLN A 1 170 ? 13.252 14.287 25.196  1.00 51.03  ? 180 GLN A CG  1 
ATOM   1319 C  CD  . GLN A 1 170 ? 13.146 15.351 26.265  1.00 52.37  ? 180 GLN A CD  1 
ATOM   1320 O  OE1 . GLN A 1 170 ? 14.005 16.212 26.411  1.00 57.75  ? 180 GLN A OE1 1 
ATOM   1321 N  NE2 . GLN A 1 170 ? 12.082 15.294 27.043  1.00 58.01  ? 180 GLN A NE2 1 
ATOM   1322 N  N   . GLU A 1 171 ? 16.999 11.592 25.528  1.00 51.55  ? 181 GLU A N   1 
ATOM   1323 C  CA  . GLU A 1 171 ? 17.786 10.516 26.110  1.00 51.24  ? 181 GLU A CA  1 
ATOM   1324 C  C   . GLU A 1 171 ? 19.192 11.035 26.401  1.00 51.13  ? 181 GLU A C   1 
ATOM   1325 O  O   . GLU A 1 171 ? 19.795 10.681 27.420  1.00 46.94  ? 181 GLU A O   1 
ATOM   1326 C  CB  . GLU A 1 171 ? 17.738 9.285  25.198  1.00 55.71  ? 181 GLU A CB  1 
ATOM   1327 C  CG  . GLU A 1 171 ? 18.496 8.080  25.745  1.00 58.42  ? 181 GLU A CG  1 
ATOM   1328 C  CD  . GLU A 1 171 ? 18.035 7.552  27.092  0.50 55.92  ? 181 GLU A CD  1 
ATOM   1329 O  OE1 . GLU A 1 171 ? 16.827 7.306  27.253  0.50 51.40  ? 181 GLU A OE1 1 
ATOM   1330 O  OE2 . GLU A 1 171 ? 18.894 7.369  27.964  0.50 48.94  ? 181 GLU A OE2 1 
ATOM   1331 N  N   . MET A 1 172 ? 19.680 11.931 25.530  1.00 48.35  ? 182 MET A N   1 
ATOM   1332 C  CA  . MET A 1 172 ? 20.957 12.580 25.755  1.00 47.48  ? 182 MET A CA  1 
ATOM   1333 C  C   . MET A 1 172 ? 20.845 13.434 27.021  1.00 51.89  ? 182 MET A C   1 
ATOM   1334 O  O   . MET A 1 172 ? 21.769 13.478 27.826  1.00 47.67  ? 182 MET A O   1 
ATOM   1335 C  CB  . MET A 1 172 ? 21.347 13.486 24.582  1.00 46.85  ? 182 MET A CB  1 
ATOM   1336 C  CG  . MET A 1 172 ? 21.952 12.748 23.363  1.00 46.52  ? 182 MET A CG  1 
ATOM   1337 S  SD  . MET A 1 172 ? 22.367 13.932 22.064  0.97 44.57  ? 182 MET A SD  1 
ATOM   1338 C  CE  . MET A 1 172 ? 22.949 12.820 20.772  1.00 41.78  ? 182 MET A CE  1 
ATOM   1339 N  N   . ALA A 1 173 ? 19.741 14.184 27.137  1.00 57.01  ? 183 ALA A N   1 
ATOM   1340 C  CA  . ALA A 1 173 ? 19.555 15.102 28.254  1.00 61.54  ? 183 ALA A CA  1 
ATOM   1341 C  C   . ALA A 1 173 ? 19.553 14.318 29.562  1.00 58.78  ? 183 ALA A C   1 
ATOM   1342 O  O   . ALA A 1 173 ? 20.237 14.693 30.507  1.00 67.74  ? 183 ALA A O   1 
ATOM   1343 C  CB  . ALA A 1 173 ? 18.284 15.903 28.082  1.00 60.19  ? 183 ALA A CB  1 
ATOM   1344 N  N   . SER A 1 174 ? 18.830 13.195 29.592  1.00 57.38  ? 184 SER A N   1 
ATOM   1345 C  CA  . SER A 1 174 ? 18.781 12.362 30.781  1.00 62.16  ? 184 SER A CA  1 
ATOM   1346 C  C   . SER A 1 174 ? 20.163 11.820 31.163  1.00 66.23  ? 184 SER A C   1 
ATOM   1347 O  O   . SER A 1 174 ? 20.334 11.362 32.294  1.00 56.00  ? 184 SER A O   1 
ATOM   1348 C  CB  . SER A 1 174 ? 17.796 11.240 30.612  1.00 64.07  ? 184 SER A CB  1 
ATOM   1349 O  OG  . SER A 1 174 ? 18.221 10.346 29.600  1.00 76.61  ? 184 SER A OG  1 
ATOM   1350 N  N   . ARG A 1 175 ? 21.128 11.846 30.226  1.00 57.08  ? 185 ARG A N   1 
ATOM   1351 C  CA  . ARG A 1 175 ? 22.460 11.321 30.471  1.00 58.86  ? 185 ARG A CA  1 
ATOM   1352 C  C   . ARG A 1 175 ? 23.436 12.464 30.711  1.00 54.06  ? 185 ARG A C   1 
ATOM   1353 O  O   . ARG A 1 175 ? 24.602 12.204 30.980  1.00 61.13  ? 185 ARG A O   1 
ATOM   1354 C  CB  . ARG A 1 175 ? 22.922 10.448 29.297  1.00 64.90  ? 185 ARG A CB  1 
ATOM   1355 C  CG  . ARG A 1 175 ? 22.174 9.127  29.179  1.00 63.11  ? 185 ARG A CG  1 
ATOM   1356 C  CD  . ARG A 1 175 ? 22.472 8.367  27.904  1.00 61.26  ? 185 ARG A CD  1 
ATOM   1357 N  NE  . ARG A 1 175 ? 21.756 7.092  27.827  1.00 59.33  ? 185 ARG A NE  1 
ATOM   1358 C  CZ  . ARG A 1 175 ? 22.308 5.922  27.511  0.50 53.31  ? 185 ARG A CZ  1 
ATOM   1359 N  NH1 . ARG A 1 175 ? 23.618 5.799  27.376  0.50 51.16  ? 185 ARG A NH1 1 
ATOM   1360 N  NH2 . ARG A 1 175 ? 21.539 4.863  27.336  0.50 49.39  ? 185 ARG A NH2 1 
ATOM   1361 N  N   . SER A 1 176 ? 22.947 13.710 30.626  1.00 52.19  ? 186 SER A N   1 
ATOM   1362 C  CA  . SER A 1 176 ? 23.760 14.914 30.752  1.00 57.60  ? 186 SER A CA  1 
ATOM   1363 C  C   . SER A 1 176 ? 24.781 14.978 29.619  1.00 57.17  ? 186 SER A C   1 
ATOM   1364 O  O   . SER A 1 176 ? 25.935 15.346 29.847  1.00 54.85  ? 186 SER A O   1 
ATOM   1365 C  CB  . SER A 1 176 ? 24.438 15.028 32.109  1.00 65.63  ? 186 SER A CB  1 
ATOM   1366 O  OG  . SER A 1 176 ? 23.481 15.118 33.158  1.00 68.96  ? 186 SER A OG  1 
ATOM   1367 N  N   . LEU A 1 177 ? 24.329 14.655 28.396  1.00 57.02  ? 187 LEU A N   1 
ATOM   1368 C  CA  . LEU A 1 177 ? 25.161 14.768 27.202  1.00 48.40  ? 187 LEU A CA  1 
ATOM   1369 C  C   . LEU A 1 177 ? 24.702 15.918 26.310  1.00 45.86  ? 187 LEU A C   1 
ATOM   1370 O  O   . LEU A 1 177 ? 25.478 16.389 25.484  1.00 47.13  ? 187 LEU A O   1 
ATOM   1371 C  CB  . LEU A 1 177 ? 25.110 13.436 26.453  1.00 47.95  ? 187 LEU A CB  1 
ATOM   1372 C  CG  . LEU A 1 177 ? 25.521 12.206 27.260  1.00 49.69  ? 187 LEU A CG  1 
ATOM   1373 C  CD1 . LEU A 1 177 ? 25.190 10.937 26.487  1.00 52.92  ? 187 LEU A CD1 1 
ATOM   1374 C  CD2 . LEU A 1 177 ? 27.001 12.241 27.631  1.00 49.37  ? 187 LEU A CD2 1 
ATOM   1375 N  N   . TRP A 1 178 ? 23.462 16.404 26.507  1.00 47.24  ? 188 TRP A N   1 
ATOM   1376 C  CA  . TRP A 1 178 ? 22.813 17.293 25.556  1.00 43.76  ? 188 TRP A CA  1 
ATOM   1377 C  C   . TRP A 1 178 ? 23.546 18.620 25.402  1.00 54.73  ? 188 TRP A C   1 
ATOM   1378 O  O   . TRP A 1 178 ? 23.689 19.131 24.284  1.00 52.09  ? 188 TRP A O   1 
ATOM   1379 C  CB  . TRP A 1 178 ? 21.349 17.535 25.948  1.00 50.41  ? 188 TRP A CB  1 
ATOM   1380 C  CG  . TRP A 1 178 ? 20.708 18.608 25.105  1.00 51.62  ? 188 TRP A CG  1 
ATOM   1381 C  CD1 . TRP A 1 178 ? 20.240 19.814 25.531  1.00 54.54  ? 188 TRP A CD1 1 
ATOM   1382 C  CD2 . TRP A 1 178 ? 20.526 18.591 23.670  1.00 55.64  ? 188 TRP A CD2 1 
ATOM   1383 N  NE1 . TRP A 1 178 ? 19.786 20.550 24.468  1.00 55.58  ? 188 TRP A NE1 1 
ATOM   1384 C  CE2 . TRP A 1 178 ? 19.940 19.824 23.316  1.00 56.38  ? 188 TRP A CE2 1 
ATOM   1385 C  CE3 . TRP A 1 178 ? 20.793 17.657 22.658  1.00 50.73  ? 188 TRP A CE3 1 
ATOM   1386 C  CZ2 . TRP A 1 178 ? 19.610 20.139 21.999  1.00 53.73  ? 188 TRP A CZ2 1 
ATOM   1387 C  CZ3 . TRP A 1 178 ? 20.458 17.967 21.361  1.00 47.46  ? 188 TRP A CZ3 1 
ATOM   1388 C  CH2 . TRP A 1 178 ? 19.889 19.196 21.035  1.00 53.65  ? 188 TRP A CH2 1 
ATOM   1389 N  N   . ASP A 1 179 ? 23.976 19.208 26.529  1.00 59.93  ? 189 ASP A N   1 
ATOM   1390 C  CA  . ASP A 1 179 ? 24.545 20.546 26.491  1.00 58.73  ? 189 ASP A CA  1 
ATOM   1391 C  C   . ASP A 1 179 ? 25.810 20.536 25.644  1.00 53.29  ? 189 ASP A C   1 
ATOM   1392 O  O   . ASP A 1 179 ? 25.968 21.397 24.774  1.00 47.36  ? 189 ASP A O   1 
ATOM   1393 C  CB  . ASP A 1 179 ? 24.797 21.101 27.896  1.00 62.37  ? 189 ASP A CB  1 
ATOM   1394 C  CG  . ASP A 1 179 ? 23.511 21.472 28.616  1.00 71.03  ? 189 ASP A CG  1 
ATOM   1395 O  OD1 . ASP A 1 179 ? 22.690 22.204 28.009  1.00 66.66  ? 189 ASP A OD1 1 
ATOM   1396 O  OD2 . ASP A 1 179 ? 23.337 21.025 29.771  1.00 74.56  ? 189 ASP A OD2 1 
ATOM   1397 N  N   . SER A 1 180 ? 26.709 19.589 25.962  1.00 54.00  ? 190 SER A N   1 
ATOM   1398 C  CA  . SER A 1 180 ? 27.954 19.390 25.225  1.00 59.52  ? 190 SER A CA  1 
ATOM   1399 C  C   . SER A 1 180 ? 27.649 19.162 23.739  1.00 54.17  ? 190 SER A C   1 
ATOM   1400 O  O   . SER A 1 180 ? 28.194 19.834 22.869  1.00 57.09  ? 190 SER A O   1 
ATOM   1401 C  CB  . SER A 1 180 ? 28.745 18.242 25.842  1.00 61.23  ? 190 SER A CB  1 
ATOM   1402 O  OG  . SER A 1 180 ? 29.957 17.985 25.145  1.00 56.14  ? 190 SER A OG  1 
ATOM   1403 N  N   . PHE A 1 181 ? 26.717 18.245 23.452  1.00 57.59  ? 191 PHE A N   1 
ATOM   1404 C  CA  . PHE A 1 181 ? 26.327 17.952 22.077  1.00 51.38  ? 191 PHE A CA  1 
ATOM   1405 C  C   . PHE A 1 181 ? 25.788 19.187 21.367  1.00 48.50  ? 191 PHE A C   1 
ATOM   1406 O  O   . PHE A 1 181 ? 26.144 19.443 20.217  1.00 48.74  ? 191 PHE A O   1 
ATOM   1407 C  CB  . PHE A 1 181 ? 25.294 16.830 22.026  1.00 48.12  ? 191 PHE A CB  1 
ATOM   1408 C  CG  . PHE A 1 181 ? 24.886 16.423 20.627  1.00 45.82  ? 191 PHE A CG  1 
ATOM   1409 C  CD1 . PHE A 1 181 ? 25.805 15.914 19.722  1.00 45.30  ? 191 PHE A CD1 1 
ATOM   1410 C  CD2 . PHE A 1 181 ? 23.567 16.552 20.216  1.00 42.80  ? 191 PHE A CD2 1 
ATOM   1411 C  CE1 . PHE A 1 181 ? 25.414 15.529 18.441  1.00 44.06  ? 191 PHE A CE1 1 
ATOM   1412 C  CE2 . PHE A 1 181 ? 23.172 16.150 18.948  1.00 42.62  ? 191 PHE A CE2 1 
ATOM   1413 C  CZ  . PHE A 1 181 ? 24.095 15.639 18.063  1.00 43.95  ? 191 PHE A CZ  1 
ATOM   1414 N  N   . ARG A 1 182 ? 24.945 19.961 22.063  1.00 53.01  ? 192 ARG A N   1 
ATOM   1415 C  CA  . ARG A 1 182 ? 24.316 21.143 21.491  1.00 53.37  ? 192 ARG A CA  1 
ATOM   1416 C  C   . ARG A 1 182 ? 25.355 22.176 21.057  1.00 57.12  ? 192 ARG A C   1 
ATOM   1417 O  O   . ARG A 1 182 ? 25.200 22.806 20.010  1.00 62.71  ? 192 ARG A O   1 
ATOM   1418 C  CB  . ARG A 1 182 ? 23.355 21.772 22.509  1.00 63.81  ? 192 ARG A CB  1 
ATOM   1419 C  CG  . ARG A 1 182 ? 22.496 22.901 21.958  1.00 65.09  ? 192 ARG A CG  1 
ATOM   1420 C  CD  . ARG A 1 182 ? 21.573 23.475 23.019  1.00 72.43  ? 192 ARG A CD  1 
ATOM   1421 N  NE  . ARG A 1 182 ? 22.320 24.029 24.146  1.00 78.15  ? 192 ARG A NE  1 
ATOM   1422 C  CZ  . ARG A 1 182 ? 22.001 23.896 25.433  0.50 77.25  ? 192 ARG A CZ  1 
ATOM   1423 N  NH1 . ARG A 1 182 ? 20.827 23.410 25.798  0.50 73.71  ? 192 ARG A NH1 1 
ATOM   1424 N  NH2 . ARG A 1 182 ? 22.848 24.302 26.363  0.50 80.18  ? 192 ARG A NH2 1 
ATOM   1425 N  N   . GLN A 1 183 ? 26.385 22.381 21.886  1.00 61.16  ? 193 GLN A N   1 
ATOM   1426 C  CA  . GLN A 1 183 ? 27.330 23.472 21.698  1.00 59.69  ? 193 GLN A CA  1 
ATOM   1427 C  C   . GLN A 1 183 ? 28.426 23.068 20.717  1.00 60.71  ? 193 GLN A C   1 
ATOM   1428 O  O   . GLN A 1 183 ? 29.138 23.923 20.197  1.00 59.32  ? 193 GLN A O   1 
ATOM   1429 C  CB  . GLN A 1 183 ? 27.958 23.848 23.041  0.50 56.98  ? 193 GLN A CB  1 
ATOM   1430 N  N   . SER A 1 184 ? 28.542 21.759 20.453  1.00 65.09  ? 194 SER A N   1 
ATOM   1431 C  CA  . SER A 1 184 ? 29.692 21.218 19.742  1.00 67.20  ? 194 SER A CA  1 
ATOM   1432 C  C   . SER A 1 184 ? 29.589 21.408 18.228  1.00 66.80  ? 194 SER A C   1 
ATOM   1433 O  O   . SER A 1 184 ? 30.543 21.081 17.525  1.00 65.87  ? 194 SER A O   1 
ATOM   1434 C  CB  . SER A 1 184 ? 29.907 19.754 20.077  1.00 72.54  ? 194 SER A CB  1 
ATOM   1435 O  OG  . SER A 1 184 ? 28.778 18.973 19.702  1.00 78.41  ? 194 SER A OG  1 
ATOM   1436 N  N   . GLU A 1 185 ? 28.463 21.930 17.711  1.00 62.33  ? 195 GLU A N   1 
ATOM   1437 C  CA  . GLU A 1 185 ? 28.283 22.014 16.269  1.00 63.96  ? 195 GLU A CA  1 
ATOM   1438 C  C   . GLU A 1 185 ? 29.170 23.124 15.699  1.00 71.10  ? 195 GLU A C   1 
ATOM   1439 O  O   . GLU A 1 185 ? 29.345 24.166 16.324  1.00 79.12  ? 195 GLU A O   1 
ATOM   1440 C  CB  . GLU A 1 185 ? 26.809 22.214 15.920  1.00 60.95  ? 195 GLU A CB  1 
ATOM   1441 C  CG  . GLU A 1 185 ? 26.499 22.040 14.438  1.00 60.05  ? 195 GLU A CG  1 
ATOM   1442 C  CD  . GLU A 1 185 ? 25.016 21.898 14.139  1.00 60.78  ? 195 GLU A CD  1 
ATOM   1443 O  OE1 . GLU A 1 185 ? 24.354 21.163 14.895  1.00 58.68  ? 195 GLU A OE1 1 
ATOM   1444 O  OE2 . GLU A 1 185 ? 24.515 22.545 13.188  1.00 54.67  ? 195 GLU A OE2 1 
ATOM   1445 N  N   . ARG A 1 186 ? 29.727 22.886 14.504  0.70 70.57  ? 196 ARG A N   1 
ATOM   1446 C  CA  . ARG A 1 186 ? 30.610 23.844 13.853  0.70 78.39  ? 196 ARG A CA  1 
ATOM   1447 C  C   . ARG A 1 186 ? 29.889 24.492 12.663  0.70 77.14  ? 196 ARG A C   1 
ATOM   1448 O  O   . ARG A 1 186 ? 30.293 25.614 12.293  0.70 70.68  ? 196 ARG A O   1 
ATOM   1449 C  CB  . ARG A 1 186 ? 31.900 23.158 13.391  0.70 76.46  ? 196 ARG A CB  1 
ATOM   1450 O  OXT . ARG A 1 186 ? 28.958 23.852 12.142  0.70 77.15  ? 196 ARG A OXT 1 
HETATM 1451 MN MN  . MN  B 2 .   ? 23.023 15.975 4.239   1.00 40.98  ? 201 MN  A MN  1 
HETATM 1452 MG MG  . MG  C 3 .   ? 25.087 13.850 2.396   1.00 33.24  ? 202 MG  A MG  1 
HETATM 1453 C  C1  . EDO D 4 .   ? 19.119 4.960  23.959  1.00 63.83  ? 203 EDO A C1  1 
HETATM 1454 O  O1  . EDO D 4 .   ? 20.325 4.222  23.905  1.00 61.84  ? 203 EDO A O1  1 
HETATM 1455 C  C2  . EDO D 4 .   ? 18.046 4.357  23.141  1.00 64.59  ? 203 EDO A C2  1 
HETATM 1456 O  O2  . EDO D 4 .   ? 16.783 4.987  23.301  1.00 70.89  ? 203 EDO A O2  1 
HETATM 1457 C  C1  . EDO E 4 .   ? 21.316 -0.920 18.933  1.00 62.73  ? 204 EDO A C1  1 
HETATM 1458 O  O1  . EDO E 4 .   ? 21.130 -2.003 18.024  1.00 67.81  ? 204 EDO A O1  1 
HETATM 1459 C  C2  . EDO E 4 .   ? 20.438 0.234  18.631  1.00 52.57  ? 204 EDO A C2  1 
HETATM 1460 O  O2  . EDO E 4 .   ? 19.807 0.092  17.383  1.00 57.62  ? 204 EDO A O2  1 
HETATM 1461 C  C1  . EDO F 4 .   ? 31.307 8.086  3.725   1.00 69.19  ? 205 EDO A C1  1 
HETATM 1462 O  O1  . EDO F 4 .   ? 31.065 9.428  3.351   1.00 64.30  ? 205 EDO A O1  1 
HETATM 1463 C  C2  . EDO F 4 .   ? 30.396 7.137  3.028   1.00 68.36  ? 205 EDO A C2  1 
HETATM 1464 O  O2  . EDO F 4 .   ? 31.073 6.101  2.343   1.00 64.85  ? 205 EDO A O2  1 
HETATM 1465 C  C1  . EDO G 4 .   ? 28.676 12.782 6.915   1.00 67.54  ? 206 EDO A C1  1 
HETATM 1466 O  O1  . EDO G 4 .   ? 29.942 12.159 6.958   1.00 68.31  ? 206 EDO A O1  1 
HETATM 1467 C  C2  . EDO G 4 .   ? 27.804 12.086 5.955   1.00 71.20  ? 206 EDO A C2  1 
HETATM 1468 O  O2  . EDO G 4 .   ? 27.836 10.682 6.152   1.00 74.55  ? 206 EDO A O2  1 
HETATM 1469 C  C1  . EDO H 4 .   ? 23.427 2.941  2.936   1.00 66.03  ? 207 EDO A C1  1 
HETATM 1470 O  O1  . EDO H 4 .   ? 24.290 1.915  3.398   1.00 64.81  ? 207 EDO A O1  1 
HETATM 1471 C  C2  . EDO H 4 .   ? 22.979 2.704  1.561   1.00 56.82  ? 207 EDO A C2  1 
HETATM 1472 O  O2  . EDO H 4 .   ? 22.585 1.373  1.413   1.00 55.66  ? 207 EDO A O2  1 
HETATM 1473 N  N1  . H2I I 5 .   ? 32.748 14.850 5.154   1.00 52.04  ? 208 H2I A N1  1 
HETATM 1474 C  C4  . H2I I 5 .   ? 28.017 16.411 5.246   1.00 49.75  ? 208 H2I A C4  1 
HETATM 1475 C  C5  . H2I I 5 .   ? 29.490 16.349 5.374   1.00 48.63  ? 208 H2I A C5  1 
HETATM 1476 C  C6  . H2I I 5 .   ? 30.461 15.642 4.768   1.00 50.10  ? 208 H2I A C6  1 
HETATM 1477 C  C7  . H2I I 5 .   ? 31.810 15.760 5.391   1.00 56.86  ? 208 H2I A C7  1 
HETATM 1478 C  C8  . H2I I 5 .   ? 34.086 14.971 5.726   1.00 56.66  ? 208 H2I A C8  1 
HETATM 1479 C  C10 . H2I I 5 .   ? 33.627 13.413 7.670   1.00 46.53  ? 208 H2I A C10 1 
HETATM 1480 C  C13 . H2I I 5 .   ? 35.161 14.948 9.376   1.00 47.90  ? 208 H2I A C13 1 
HETATM 1481 C  C15 . H2I I 5 .   ? 30.300 14.803 3.645   1.00 46.48  ? 208 H2I A C15 1 
HETATM 1482 C  C17 . H2I I 5 .   ? 27.740 14.839 3.219   1.00 39.03  ? 208 H2I A C17 1 
HETATM 1483 O  O1  . H2I I 5 .   ? 23.908 16.959 5.492   1.00 43.64  ? 208 H2I A O1  1 
HETATM 1484 C  C1  . H2I I 5 .   ? 25.264 16.796 5.422   1.00 40.74  ? 208 H2I A C1  1 
HETATM 1485 C  C2  . H2I I 5 .   ? 26.095 17.438 6.316   1.00 47.50  ? 208 H2I A C2  1 
HETATM 1486 C  C3  . H2I I 5 .   ? 27.458 17.266 6.224   1.00 50.92  ? 208 H2I A C3  1 
HETATM 1487 C  C9  . H2I I 5 .   ? 34.218 14.570 7.180   1.00 49.08  ? 208 H2I A C9  1 
HETATM 1488 C  C11 . H2I I 5 .   ? 33.816 13.002 8.983   1.00 41.03  ? 208 H2I A C11 1 
HETATM 1489 C  C12 . H2I I 5 .   ? 34.589 13.772 9.838   1.00 43.71  ? 208 H2I A C12 1 
HETATM 1490 O  O2  . H2I I 5 .   ? 34.806 13.388 11.137  1.00 42.26  ? 208 H2I A O2  1 
HETATM 1491 C  C14 . H2I I 5 .   ? 34.995 15.322 8.053   1.00 50.84  ? 208 H2I A C14 1 
HETATM 1492 O  O3  . H2I I 5 .   ? 32.070 16.729 6.108   1.00 59.14  ? 208 H2I A O3  1 
HETATM 1493 C  C16 . H2I I 5 .   ? 29.126 14.454 2.987   1.00 44.95  ? 208 H2I A C16 1 
HETATM 1494 O  O4  . H2I I 5 .   ? 29.191 13.580 1.897   1.00 40.00  ? 208 H2I A O4  1 
HETATM 1495 O  O5  . H2I I 5 .   ? 26.976 14.349 2.407   1.00 38.13  ? 208 H2I A O5  1 
HETATM 1496 C  C18 . H2I I 5 .   ? 27.192 15.748 4.308   1.00 45.68  ? 208 H2I A C18 1 
HETATM 1497 C  C19 . H2I I 5 .   ? 25.784 15.944 4.435   1.00 35.93  ? 208 H2I A C19 1 
HETATM 1498 O  O6  . H2I I 5 .   ? 24.776 15.390 3.687   1.00 39.53  ? 208 H2I A O6  1 
HETATM 1499 O  O   . HOH J 6 .   ? 22.825 19.602 -5.739  1.00 62.06  ? 301 HOH A O   1 
HETATM 1500 O  O   . HOH J 6 .   ? 9.708  25.761 5.339   1.00 50.38  ? 302 HOH A O   1 
HETATM 1501 O  O   . HOH J 6 .   ? 19.269 3.565  14.135  1.00 42.76  ? 303 HOH A O   1 
HETATM 1502 O  O   . HOH J 6 .   ? 37.672 4.637  2.406   1.00 46.16  ? 304 HOH A O   1 
HETATM 1503 O  O   . HOH J 6 .   ? 11.383 18.740 1.165   1.00 42.33  ? 305 HOH A O   1 
HETATM 1504 O  O   . HOH J 6 .   ? 11.658 16.068 -3.048  1.00 57.29  ? 306 HOH A O   1 
HETATM 1505 O  O   . HOH J 6 .   ? 28.194 2.061  2.058   1.00 39.78  ? 307 HOH A O   1 
HETATM 1506 O  O   . HOH J 6 .   ? 24.165 18.491 -1.412  1.00 49.78  ? 308 HOH A O   1 
HETATM 1507 O  O   . HOH J 6 .   ? 24.854 15.403 0.928   1.00 34.74  ? 309 HOH A O   1 
HETATM 1508 O  O   . HOH J 6 .   ? 33.952 5.144  1.757   1.00 44.90  ? 310 HOH A O   1 
HETATM 1509 O  O   . HOH J 6 .   ? 23.402 17.781 8.357   1.00 37.53  ? 311 HOH A O   1 
HETATM 1510 O  O   . HOH J 6 .   ? 25.015 0.078  17.692  1.00 35.24  ? 312 HOH A O   1 
HETATM 1511 O  O   . HOH J 6 .   ? 31.850 14.884 -10.880 1.00 55.00  ? 313 HOH A O   1 
HETATM 1512 O  O   . HOH J 6 .   ? 40.738 7.753  13.618  1.00 55.82  ? 314 HOH A O   1 
HETATM 1513 O  O   . HOH J 6 .   ? 26.579 5.998  -13.545 1.00 38.02  ? 315 HOH A O   1 
HETATM 1514 O  O   . HOH J 6 .   ? 42.158 6.853  9.714   1.00 38.99  ? 316 HOH A O   1 
HETATM 1515 O  O   . HOH J 6 .   ? 27.469 8.706  -0.221  1.00 33.79  ? 317 HOH A O   1 
HETATM 1516 O  O   . HOH J 6 .   ? 23.478 15.616 12.402  1.00 39.01  ? 318 HOH A O   1 
HETATM 1517 O  O   . HOH J 6 .   ? 25.538 12.576 0.541   1.00 32.05  ? 319 HOH A O   1 
HETATM 1518 O  O   . HOH J 6 .   ? 32.411 12.254 4.473   1.00 49.75  ? 320 HOH A O   1 
HETATM 1519 O  O   . HOH J 6 .   ? 30.569 3.558  -12.220 1.00 51.13  ? 321 HOH A O   1 
HETATM 1520 O  O   . HOH J 6 .   ? 9.665  8.389  15.541  1.00 47.25  ? 322 HOH A O   1 
HETATM 1521 O  O   . HOH J 6 .   ? 31.663 19.433 6.072   1.00 54.78  ? 323 HOH A O   1 
HETATM 1522 O  O   . HOH J 6 .   ? 24.427 18.575 -3.878  1.00 48.09  ? 324 HOH A O   1 
HETATM 1523 O  O   . HOH J 6 .   ? 30.913 -0.361 14.074  1.00 46.56  ? 325 HOH A O   1 
HETATM 1524 O  O   . HOH J 6 .   ? 34.335 10.383 4.897   1.00 45.06  ? 326 HOH A O   1 
HETATM 1525 O  O   . HOH J 6 .   ? 17.376 3.449  19.805  1.00 51.63  ? 327 HOH A O   1 
HETATM 1526 O  O   . HOH J 6 .   ? 25.973 11.461 8.290   1.00 39.25  ? 328 HOH A O   1 
HETATM 1527 O  O   . HOH J 6 .   ? 27.716 11.201 1.006   1.00 36.54  ? 329 HOH A O   1 
HETATM 1528 O  O   . HOH J 6 .   ? 33.283 -0.048 7.174   1.00 42.39  ? 330 HOH A O   1 
HETATM 1529 O  O   . HOH J 6 .   ? 33.101 3.150  26.527  1.00 74.84  ? 331 HOH A O   1 
HETATM 1530 O  O   . HOH J 6 .   ? 4.007  9.776  12.719  1.00 53.98  ? 332 HOH A O   1 
HETATM 1531 O  O   . HOH J 6 .   ? 15.915 2.394  6.469   1.00 62.60  ? 333 HOH A O   1 
HETATM 1532 O  O   . HOH J 6 .   ? 28.507 -1.201 14.344  1.00 36.95  ? 334 HOH A O   1 
HETATM 1533 O  O   . HOH J 6 .   ? 2.412  19.731 8.652   1.00 73.88  ? 335 HOH A O   1 
HETATM 1534 O  O   . HOH J 6 .   ? 12.801 18.417 13.235  1.00 61.96  ? 336 HOH A O   1 
HETATM 1535 O  O   . HOH J 6 .   ? 29.465 -0.767 18.271  1.00 43.21  ? 337 HOH A O   1 
HETATM 1536 O  O   . HOH J 6 .   ? 33.058 15.816 18.763  1.00 44.89  ? 338 HOH A O   1 
HETATM 1537 O  O   . HOH J 6 .   ? 29.166 18.255 14.149  1.00 56.09  ? 339 HOH A O   1 
HETATM 1538 O  O   . HOH J 6 .   ? 26.341 1.208  -2.470  1.00 28.55  ? 340 HOH A O   1 
HETATM 1539 O  O   . HOH J 6 .   ? 40.086 12.370 16.655  1.00 44.15  ? 341 HOH A O   1 
HETATM 1540 O  O   . HOH J 6 .   ? 12.563 17.639 16.275  1.00 50.80  ? 342 HOH A O   1 
HETATM 1541 O  O   . HOH J 6 .   ? 40.618 12.599 3.800   1.00 44.74  ? 343 HOH A O   1 
HETATM 1542 O  O   . HOH J 6 .   ? 10.034 6.814  7.914   1.00 53.93  ? 344 HOH A O   1 
HETATM 1543 O  O   . HOH J 6 .   ? 34.512 6.043  -0.758  1.00 30.82  ? 345 HOH A O   1 
HETATM 1544 O  O   . HOH J 6 .   ? 23.539 17.927 14.077  1.00 42.58  ? 346 HOH A O   1 
HETATM 1545 O  O   . HOH J 6 .   ? 30.624 15.635 -2.713  1.00 42.04  ? 347 HOH A O   1 
HETATM 1546 O  O   . HOH J 6 .   ? 30.554 17.211 -9.643  1.00 52.62  ? 348 HOH A O   1 
HETATM 1547 O  O   . HOH J 6 .   ? 26.228 20.735 -5.205  1.00 63.77  ? 349 HOH A O   1 
HETATM 1548 O  O   . HOH J 6 .   ? 32.764 16.760 -5.612  1.00 57.09  ? 350 HOH A O   1 
HETATM 1549 O  O   . HOH J 6 .   ? 4.983  9.243  -1.340  1.00 58.39  ? 351 HOH A O   1 
HETATM 1550 O  O   . HOH J 6 .   ? 24.414 16.758 10.373  1.00 50.75  ? 352 HOH A O   1 
HETATM 1551 O  O   . HOH J 6 .   ? 0.391  15.739 4.487   1.00 57.35  ? 353 HOH A O   1 
HETATM 1552 O  O   . HOH J 6 .   ? 0.967  6.193  9.213   1.00 56.38  ? 354 HOH A O   1 
HETATM 1553 O  O   . HOH J 6 .   ? 29.959 17.863 16.263  1.00 55.27  ? 355 HOH A O   1 
HETATM 1554 O  O   . HOH J 6 .   ? 32.667 14.579 -4.113  1.00 60.96  ? 356 HOH A O   1 
HETATM 1555 O  O   . HOH J 6 .   ? 11.534 28.799 3.013   1.00 58.53  ? 357 HOH A O   1 
HETATM 1556 O  O   . HOH J 6 .   ? 30.848 15.344 -0.635  1.00 54.59  ? 358 HOH A O   1 
HETATM 1557 O  O   . HOH J 6 .   ? 26.701 14.708 8.520   1.00 57.39  ? 359 HOH A O   1 
HETATM 1558 O  O   . HOH J 6 .   ? 30.660 16.211 9.441   1.00 56.78  ? 360 HOH A O   1 
HETATM 1559 O  O   . HOH J 6 .   ? 27.431 18.200 1.692   1.00 70.76  ? 361 HOH A O   1 
HETATM 1560 O  O   . HOH J 6 .   ? 42.615 3.854  17.626  1.00 70.11  ? 362 HOH A O   1 
HETATM 1561 O  O   . HOH J 6 .   ? 16.880 16.942 31.926  1.00 56.63  ? 363 HOH A O   1 
HETATM 1562 O  O   . HOH J 6 .   ? 38.259 17.598 8.599   1.00 61.46  ? 364 HOH A O   1 
HETATM 1563 O  O   . HOH J 6 .   ? 26.374 16.380 9.984   1.00 46.89  ? 365 HOH A O   1 
HETATM 1564 O  O   . HOH J 6 .   ? 27.370 -1.312 16.754  1.00 40.38  ? 366 HOH A O   1 
HETATM 1565 O  O   . HOH J 6 .   ? 7.046  8.043  16.059  1.00 48.12  ? 367 HOH A O   1 
HETATM 1566 O  O   . HOH J 6 .   ? 16.416 2.827  9.210   1.00 68.00  ? 368 HOH A O   1 
# 
