data_8PPX
# 
_entry.id   8PPX 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.403 
_audit_conform.dict_location   http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic 
# 
loop_
_database_2.database_id 
_database_2.database_code 
_database_2.pdbx_database_accession 
_database_2.pdbx_DOI 
PDB   8PPX         pdb_00008ppx 10.2210/pdb8ppx/pdb 
WWPDB D_1292131598 ?            ?                   
# 
loop_
_pdbx_audit_revision_history.ordinal 
_pdbx_audit_revision_history.data_content_type 
_pdbx_audit_revision_history.major_revision 
_pdbx_audit_revision_history.minor_revision 
_pdbx_audit_revision_history.revision_date 
_pdbx_audit_revision_history.part_number 
1 'Structure model' 1 0 2025-01-15 ? 
2 'Structure model' 1 1 2025-04-16 ? 
# 
_pdbx_audit_revision_details.ordinal             1 
_pdbx_audit_revision_details.revision_ordinal    1 
_pdbx_audit_revision_details.data_content_type   'Structure model' 
_pdbx_audit_revision_details.provider            repository 
_pdbx_audit_revision_details.type                'Initial release' 
_pdbx_audit_revision_details.description         ? 
_pdbx_audit_revision_details.details             ? 
# 
_pdbx_audit_revision_group.ordinal             1 
_pdbx_audit_revision_group.revision_ordinal    2 
_pdbx_audit_revision_group.data_content_type   'Structure model' 
_pdbx_audit_revision_group.group               'Database references' 
# 
loop_
_pdbx_audit_revision_category.ordinal 
_pdbx_audit_revision_category.revision_ordinal 
_pdbx_audit_revision_category.data_content_type 
_pdbx_audit_revision_category.category 
1 2 'Structure model' citation        
2 2 'Structure model' citation_author 
# 
loop_
_pdbx_audit_revision_item.ordinal 
_pdbx_audit_revision_item.revision_ordinal 
_pdbx_audit_revision_item.data_content_type 
_pdbx_audit_revision_item.item 
1 2 'Structure model' '_citation.country'              
2 2 'Structure model' '_citation.journal_abbrev'       
3 2 'Structure model' '_citation.journal_id_CSD'       
4 2 'Structure model' '_citation.journal_id_ISSN'      
5 2 'Structure model' '_citation.pdbx_database_id_DOI' 
6 2 'Structure model' '_citation.title'                
7 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                        8PPX 
_pdbx_database_status.recvd_initial_deposition_date   2023-07-10 
_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                 2 
_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 
'Radilova, K.' 1 0000-0001-8917-2359 
'Brynda, J.'   2 0000-0003-3675-6769 
# 
_citation.abstract                  ? 
_citation.abstract_id_CAS           ? 
_citation.book_id_ISBN              ? 
_citation.book_publisher            ? 
_citation.book_publisher_city       ? 
_citation.book_title                ? 
_citation.coordinate_linkage        ? 
_citation.country                   UK 
_citation.database_id_Medline       ? 
_citation.details                   ? 
_citation.id                        primary 
_citation.journal_abbrev            'Rsc Med Chem' 
_citation.journal_id_ASTM           ? 
_citation.journal_id_CSD            ? 
_citation.journal_id_ISSN           2632-8682 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            ? 
_citation.language                  ? 
_citation.page_first                ? 
_citation.page_last                 ? 
_citation.title                     
'Beyond Natural Flavonoids: Exploring Bioisosterism in Design and Synthesis of Influenza Endonuclease Inhibitors' 
_citation.year                      2025 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      10.1039/D5MD00071H 
_citation.pdbx_database_id_PubMed   ? 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Reiberger, R.'  1  ? 
primary 'Kral, M.'       2  ? 
primary 'Radilova, K.'   3  ? 
primary 'Kotacka, T.'    4  ? 
primary 'Tsalyy, A.'     5  ? 
primary 'Majer, P.'      6  ? 
primary 'Dracinsky, M.'  7  ? 
primary 'Brynda, J.'     8  ? 
primary 'Konvalinka, J.' 9  ? 
primary 'Kozisek, M.'    10 ? 
primary 'Machara, A.'    11 ? 
# 
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 'CHLORIDE ION'                                                          35.453    1  ?       ? ? ? 
5 non-polymer syn '5-oxidanyl-2-[4,5,7-tris(oxidanyl)naphthalen-2-yl]-1H-pyrimidin-6-one' 286.240   1  ?       ? ? ? 
6 water       nat water                                                                   18.015    25 ?       ? ? ? 
# 
_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 'CHLORIDE ION'                                                          CL  
5 '5-oxidanyl-2-[4,5,7-tris(oxidanyl)naphthalen-2-yl]-1H-pyrimidin-6-one' 85W 
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 
85W non-polymer         . '5-oxidanyl-2-[4,5,7-tris(oxidanyl)naphthalen-2-yl]-1H-pyrimidin-6-one' 
'5-oxidanyl-2-[4,5,7-tris(oxidanyl)naphthalen-2-yl]-1~{H}-pyrimidin-6-one' 'C14 H10 N2 O5'  286.240 
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 
CL  non-polymer         . 'CHLORIDE ION'                                                          ? 'Cl -1'          35.453  
CYS 'L-peptide linking' y CYSTEINE                                                                ? 'C3 H7 N O2 S'   121.158 
GLN 'L-peptide linking' y GLUTAMINE                                                               ? 'C5 H10 N2 O3'   146.144 
GLU 'L-peptide linking' y 'GLUTAMIC ACID'                                                         ? 'C5 H9 N O4'     147.129 
GLY 'peptide linking'   y GLYCINE                                                                 ? 'C2 H5 N O2'     75.067  
HIS 'L-peptide linking' y HISTIDINE                                                               ? 'C6 H10 N3 O2 1' 156.162 
HOH non-polymer         . WATER                                                                   ? 'H2 O'           18.015  
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  53  53  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        85W 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   85W 
_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 CL  1  203 1  CL  CL  A . 
E 5 85W 1  204 1  85W LIG A . 
F 6 HOH 1  301 12 HOH HOH A . 
F 6 HOH 2  302 27 HOH HOH A . 
F 6 HOH 3  303 2  HOH HOH A . 
F 6 HOH 4  304 29 HOH HOH A . 
F 6 HOH 5  305 1  HOH HOH A . 
F 6 HOH 6  306 22 HOH HOH A . 
F 6 HOH 7  307 15 HOH HOH A . 
F 6 HOH 8  308 28 HOH HOH A . 
F 6 HOH 9  309 24 HOH HOH A . 
F 6 HOH 10 310 13 HOH HOH A . 
F 6 HOH 11 311 3  HOH HOH A . 
F 6 HOH 12 312 23 HOH HOH A . 
F 6 HOH 13 313 7  HOH HOH A . 
F 6 HOH 14 314 16 HOH HOH A . 
F 6 HOH 15 315 30 HOH HOH A . 
F 6 HOH 16 316 25 HOH HOH A . 
F 6 HOH 17 317 31 HOH HOH A . 
F 6 HOH 18 318 10 HOH HOH A . 
F 6 HOH 19 319 11 HOH HOH A . 
F 6 HOH 20 320 6  HOH HOH A . 
F 6 HOH 21 321 17 HOH HOH A . 
F 6 HOH 22 322 14 HOH HOH A . 
F 6 HOH 23 323 5  HOH HOH A . 
F 6 HOH 24 324 19 HOH HOH A . 
F 6 HOH 25 325 18 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 ASP 50  ? CG  ? A ASP 59  CG  
2  1 Y 1 A ASP 50  ? OD1 ? A ASP 59  OD1 
3  1 Y 1 A ASP 50  ? OD2 ? A ASP 59  OD2 
4  1 Y 1 A GLU 101 ? CG  ? A GLU 91  CG  
5  1 Y 1 A GLU 101 ? CD  ? A GLU 91  CD  
6  1 Y 1 A GLU 101 ? OE1 ? A GLU 91  OE1 
7  1 Y 1 A GLU 101 ? OE2 ? A GLU 91  OE2 
8  1 Y 1 A LYS 104 ? CE  ? A LYS 94  CE  
9  1 Y 1 A LYS 104 ? NZ  ? A LYS 94  NZ  
10 1 Y 1 A ARG 125 ? CG  ? A ARG 115 CG  
11 1 Y 1 A ARG 125 ? CD  ? A ARG 115 CD  
12 1 Y 1 A ARG 125 ? NE  ? A ARG 115 NE  
13 1 Y 1 A ARG 125 ? CZ  ? A ARG 115 CZ  
14 1 Y 1 A ARG 125 ? NH1 ? A ARG 115 NH1 
15 1 Y 1 A ARG 125 ? NH2 ? A ARG 115 NH2 
16 1 Y 1 A LYS 137 ? CG  ? A LYS 127 CG  
17 1 Y 1 A LYS 137 ? CD  ? A LYS 127 CD  
18 1 Y 1 A LYS 137 ? CE  ? A LYS 127 CE  
19 1 Y 1 A LYS 137 ? NZ  ? A LYS 127 NZ  
20 1 Y 1 A ILE 138 ? CG1 ? A ILE 128 CG1 
21 1 Y 1 A ILE 138 ? CG2 ? A ILE 128 CG2 
22 1 Y 1 A ILE 138 ? CD1 ? A ILE 128 CD1 
23 1 Y 1 A LYS 139 ? CG  ? A LYS 129 CG  
24 1 Y 1 A LYS 139 ? CD  ? A LYS 129 CD  
25 1 Y 1 A LYS 139 ? CE  ? A LYS 129 CE  
26 1 Y 1 A LYS 139 ? NZ  ? A LYS 129 NZ  
27 1 Y 1 A SER 140 ? OG  ? A SER 130 OG  
28 1 Y 1 A GLU 141 ? CG  ? A GLU 131 CG  
29 1 Y 1 A GLU 141 ? CD  ? A GLU 131 CD  
30 1 Y 1 A GLU 141 ? OE1 ? A GLU 131 OE1 
31 1 Y 1 A GLU 141 ? OE2 ? A GLU 131 OE2 
32 1 Y 1 A LYS 142 ? CG  ? A LYS 132 CG  
33 1 Y 1 A LYS 142 ? CD  ? A LYS 132 CD  
34 1 Y 1 A LYS 142 ? CE  ? A LYS 132 CE  
35 1 Y 1 A LYS 142 ? NZ  ? A LYS 132 NZ  
36 1 Y 1 A LYS 158 ? CG  ? A LYS 148 CG  
37 1 Y 1 A LYS 158 ? CD  ? A LYS 148 CD  
38 1 Y 1 A LYS 158 ? CE  ? A LYS 148 CE  
39 1 Y 1 A LYS 158 ? NZ  ? A LYS 148 NZ  
40 1 Y 1 A ARG 170 ? CG  ? A ARG 160 CG  
41 1 Y 1 A ARG 170 ? CD  ? A ARG 160 CD  
42 1 Y 1 A ARG 170 ? NE  ? A ARG 160 NE  
43 1 Y 1 A ARG 170 ? CZ  ? A ARG 160 CZ  
44 1 Y 1 A ARG 170 ? NH1 ? A ARG 160 NH1 
45 1 Y 1 A ARG 170 ? NH2 ? A ARG 160 NH2 
46 1 Y 1 A ARG 192 ? NE  ? A ARG 182 NE  
47 1 Y 1 A ARG 192 ? CZ  ? A ARG 182 CZ  
48 1 Y 1 A ARG 192 ? NH1 ? A ARG 182 NH1 
49 1 Y 1 A ARG 192 ? NH2 ? A ARG 182 NH2 
50 1 Y 1 A GLN 193 ? CG  ? A GLN 183 CG  
51 1 Y 1 A GLN 193 ? CD  ? A GLN 183 CD  
52 1 Y 1 A GLN 193 ? OE1 ? A GLN 183 OE1 
53 1 Y 1 A GLN 193 ? NE2 ? A GLN 183 NE2 
54 1 Y 1 A ARG 196 ? CG  ? A ARG 186 CG  
55 1 Y 1 A ARG 196 ? CD  ? A ARG 186 CD  
56 1 Y 1 A ARG 196 ? NE  ? A ARG 186 NE  
57 1 Y 1 A ARG 196 ? CZ  ? A ARG 186 CZ  
58 1 Y 1 A ARG 196 ? NH1 ? A ARG 186 NH1 
59 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                     8PPX 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     73.960 
_cell.length_a_esd                 ? 
_cell.length_b                     73.960 
_cell.length_b_esd                 ? 
_cell.length_c                     128.180 
_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                         8PPX 
_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                   8PPX 
_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             2.34 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          47.40 
_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   0.918400 
_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        0.918400 
_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                                       8PPX 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              2.46 
_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                                     14236 
_reflns.observed_criterion                             ? 
_reflns.observed_criterion_F_max                       ? 
_reflns.observed_criterion_F_min                       ? 
_reflns.observed_criterion_I_max                       ? 
_reflns.observed_criterion_I_min                       ? 
_reflns.observed_criterion_sigma_F                     ? 
_reflns.observed_criterion_sigma_I                     ? 
_reflns.percent_possible_obs                           99.9 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                20 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          11.93 
_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                                0.278 
_reflns.pdbx_Rpim_I_all                                ? 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       ? 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   0.998 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              0.271 
_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 
2.46 2.61 ? ? ? ? ? ? 2289 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 5.293 ? ? 1 1 0.321 ? ? ? ? 5.164 ? ? ? ? ? ? ? ? ? 
2.61 2.79 ? ? ? ? ? ? 2153 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 2.884 ? ? 2 1 0.55  ? ? ? ? 2.814 ? ? ? ? ? ? ? ? ? 
2.79 3.01 ? ? ? ? ? ? 2015 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 1.566 ? ? 3 1 0.804 ? ? ? ? 1.529 ? ? ? ? ? ? ? ? ? 
3.01 3.3  ? ? ? ? ? ? 1852 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 0.89  ? ? 4 1 0.915 ? ? ? ? 0.868 ? ? ? ? ? ? ? ? ? 
3.30 3.68 ? ? ? ? ? ? 1673 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 0.397 ? ? 5 1 0.985 ? ? ? ? 0.388 ? ? ? ? ? ? ? ? ? 
3.68 4.25 ? ? ? ? ? ? 1477 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 0.189 ? ? 6 1 0.996 ? ? ? ? 0.184 ? ? ? ? ? ? ? ? ? 
4.25 5.19 ? ? ? ? ? ? 1248 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 0.108 ? ? 7 1 0.998 ? ? ? ? 0.105 ? ? ? ? ? ? ? ? ? 
5.19 7.3  ? ? ? ? ? ? 973  ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 0.1   ? ? 8 1 0.999 ? ? ? ? 0.097 ? ? ? ? ? ? ? ? ? 
7.30 10   ? ? ? ? ? ? 556  ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 0.041 ? ? 9 1 1.0   ? ? ? ? 0.039 ? ? ? ? ? ? ? ? ? 
# 
_refine.aniso_B[1][1]                            -1.05 
_refine.aniso_B[1][2]                            -0.52 
_refine.aniso_B[1][3]                            -0.00 
_refine.aniso_B[2][2]                            -1.05 
_refine.aniso_B[2][3]                            0.00 
_refine.aniso_B[3][3]                            3.39 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               58.050 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               0.943 
_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                                 8PPX 
_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                            2.50 
_refine.ls_d_res_low                             45.30 
_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                     7306 
_refine.ls_number_reflns_R_free                  385 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.95 
_refine.ls_percent_reflns_R_free                 5.0 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.22813 
_refine.ls_R_factor_R_free                       0.25785 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.22650 
_refine.ls_R_Fsqd_factor_obs                     ? 
_refine.ls_R_I_factor_obs                        ? 
_refine.ls_redundancy_reflns_all                 ? 
_refine.ls_redundancy_reflns_obs                 ? 
_refine.ls_restrained_S_all                      ? 
_refine.ls_restrained_S_obs                      ? 
_refine.ls_shift_over_esd_max                    ? 
_refine.ls_shift_over_esd_mean                   ? 
_refine.ls_structure_factor_coef                 ? 
_refine.ls_weighting_details                     ? 
_refine.ls_weighting_scheme                      ? 
_refine.ls_wR_factor_all                         ? 
_refine.ls_wR_factor_obs                         ? 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_wR_factor_R_work                      ? 
_refine.occupancy_max                            ? 
_refine.occupancy_min                            ? 
_refine.solvent_model_details                    MASK 
_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                       0.602 
_refine.pdbx_overall_ESU_R_Free                  0.296 
_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                             11.725 
_refine.overall_SU_ML                            0.243 
_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                       2.50 
_refine_hist.d_res_low                        45.30 
_refine_hist.number_atoms_solvent             25 
_refine_hist.number_atoms_total               1486 
_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        1437 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         24 
_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' ? 0.004  0.012  1493 ? r_bond_refined_d             ? ? 
'X-RAY DIFFRACTION' ? 0.004  0.016  1329 ? r_bond_other_d               ? ? 
'X-RAY DIFFRACTION' ? 1.024  1.669  2013 ? r_angle_refined_deg          ? ? 
'X-RAY DIFFRACTION' ? 0.357  1.575  3054 ? r_angle_other_deg            ? ? 
'X-RAY DIFFRACTION' ? 6.346  5.000  181  ? r_dihedral_angle_1_deg       ? ? 
'X-RAY DIFFRACTION' ? 10.544 5.000  10   ? r_dihedral_angle_2_deg       ? ? 
'X-RAY DIFFRACTION' ? 14.210 10.000 248  ? r_dihedral_angle_3_deg       ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_dihedral_angle_4_deg       ? ? 
'X-RAY DIFFRACTION' ? 0.045  0.200  215  ? r_chiral_restr               ? ? 
'X-RAY DIFFRACTION' ? 0.004  0.020  1759 ? r_gen_planes_refined         ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.020  354  ? 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' ? 3.288  6.275  727  ? r_mcbond_it                  ? ? 
'X-RAY DIFFRACTION' ? 3.284  6.275  727  ? r_mcbond_other               ? ? 
'X-RAY DIFFRACTION' ? 5.164  11.292 907  ? r_mcangle_it                 ? ? 
'X-RAY DIFFRACTION' ? 5.161  11.293 908  ? r_mcangle_other              ? ? 
'X-RAY DIFFRACTION' ? 3.473  6.449  766  ? r_scbond_it                  ? ? 
'X-RAY DIFFRACTION' ? 3.471  6.449  766  ? r_scbond_other               ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_scangle_it                 ? ? 
'X-RAY DIFFRACTION' ? 5.602  11.777 1107 ? r_scangle_other              ? ? 
'X-RAY DIFFRACTION' ? 7.759  59.26  1745 ? r_long_range_B_refined       ? ? 
'X-RAY DIFFRACTION' ? 7.762  59.33  1746 ? 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                       2.500 
_refine_ls_shell.d_res_low                        2.565 
_refine_ls_shell.number_reflns_all                ? 
_refine_ls_shell.number_reflns_obs                ? 
_refine_ls_shell.number_reflns_R_free             28 
_refine_ls_shell.number_reflns_R_work             527 
_refine_ls_shell.percent_reflns_obs               100.00 
_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                  0.345 
_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                  0.370 
# 
_struct.entry_id                     8PPX 
_struct.title                        'Influenza A/California/07/2009(H1N1) endonuclease in complex with flavonoid-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        8PPX 
_struct_keywords.text            'RNA-dependent RNA polymerase, endonuclease inhibitor, flavonoids, 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 5 ? 
F 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 8PPX A 10 ? 59  ? C3W5X6 1  ? 50  ? 1  50  
2 2 8PPX 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 8PPX SER A 1  ? UNP C3W5X6 ? ? 'expression tag' -8 1  
1 8PPX GLY A 2  ? UNP C3W5X6 ? ? 'expression tag' -7 2  
1 8PPX SER A 3  ? UNP C3W5X6 ? ? 'expression tag' -6 3  
1 8PPX GLY A 4  ? UNP C3W5X6 ? ? 'expression tag' -5 4  
1 8PPX SER A 5  ? UNP C3W5X6 ? ? 'expression tag' -4 5  
1 8PPX GLY A 6  ? UNP C3W5X6 ? ? 'expression tag' -3 6  
1 8PPX SER A 7  ? UNP C3W5X6 ? ? 'expression tag' -2 7  
1 8PPX GLY A 8  ? UNP C3W5X6 ? ? 'expression tag' -1 8  
1 8PPX SER A 9  ? UNP C3W5X6 ? ? 'expression tag' 0  9  
1 8PPX GLY A 60 ? UNP C3W5X6 ? ? linker           51 10 
1 8PPX GLY A 61 ? UNP C3W5X6 ? ? linker           52 11 
1 8PPX SER A 62 ? UNP C3W5X6 ? ? linker           53 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)' 270  ? 
1 MORE         -20  ? 
1 'SSA (A^2)'  9390 ? 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C,D,E,F 
# 
_pdbx_struct_assembly_auth_evidence.id                     1 
_pdbx_struct_assembly_auth_evidence.assembly_id            1 
_pdbx_struct_assembly_auth_evidence.experimental_support   '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 ? ? ? ? ? ? ? 2.189 ? ? 
metalc2  metalc ? ? A GLU 70  OE1 ? ? ? 1_555 C MG  . MG ? ? A GLU 80  A MG  202 1_555 ? ? ? ? ? ? ? 1.856 ? ? 
metalc3  metalc ? ? A ASP 98  OD2 ? ? ? 1_555 B MN  . MN ? ? A ASP 108 A MN  201 1_555 ? ? ? ? ? ? ? 2.241 ? ? 
metalc4  metalc ? ? A ASP 98  OD1 ? ? ? 1_555 C MG  . MG ? ? A ASP 108 A MG  202 1_555 ? ? ? ? ? ? ? 1.998 ? ? 
metalc5  metalc ? ? A GLU 109 OE2 ? ? ? 1_555 B MN  . MN ? ? A GLU 119 A MN  201 1_555 ? ? ? ? ? ? ? 1.930 ? ? 
metalc6  metalc ? ? A ILE 110 O   ? ? ? 1_555 B MN  . MN ? ? A ILE 120 A MN  201 1_555 ? ? ? ? ? ? ? 2.126 ? ? 
metalc7  metalc ? ? B MN  .   MN  ? ? ? 1_555 E 85W . O1 ? ? A MN  201 A 85W 204 1_555 ? ? ? ? ? ? ? 1.805 ? ? 
metalc8  metalc ? ? B MN  .   MN  ? ? ? 1_555 E 85W . O5 ? ? A MN  201 A 85W 204 1_555 ? ? ? ? ? ? ? 1.799 ? ? 
metalc9  metalc ? ? C MG  .   MG  ? ? ? 1_555 E 85W . O1 ? ? A MG  202 A 85W 204 1_555 ? ? ? ? ? ? ? 1.985 ? ? 
metalc10 metalc ? ? C MG  .   MG  ? ? ? 1_555 F HOH . O  ? ? A MG  202 A HOH 303 1_555 ? ? ? ? ? ? ? 1.967 ? ? 
metalc11 metalc ? ? C MG  .   MG  ? ? ? 1_555 F HOH . O  ? ? A MG  202 A HOH 305 1_555 ? ? ? ? ? ? ? 2.330 ? ? 
metalc12 metalc ? ? C MG  .   MG  ? ? ? 1_555 F HOH . O  ? ? A MG  202 A HOH 311 1_555 ? ? ? ? ? ? ? 2.011 ? ? 
# 
_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 98.6  ? 
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_555 175.8 ? 
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 77.3  ? 
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 89.8  ? 
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 94.8  ? 
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 89.5  ? 
7  NE2 ? A HIS 50  ? A HIS 41  ? 1_555 MN ? B MN . ? A MN 201 ? 1_555 O1  ? E 85W .   ? A 85W 204 ? 1_555 86.6  ? 
8  OD2 ? A ASP 98  ? A ASP 108 ? 1_555 MN ? B MN . ? A MN 201 ? 1_555 O1  ? E 85W .   ? A 85W 204 ? 1_555 83.7  ? 
9  OE2 ? A GLU 109 ? A GLU 119 ? 1_555 MN ? B MN . ? A MN 201 ? 1_555 O1  ? E 85W .   ? A 85W 204 ? 1_555 93.9  ? 
10 O   ? A ILE 110 ? A ILE 120 ? 1_555 MN ? B MN . ? A MN 201 ? 1_555 O1  ? E 85W .   ? A 85W 204 ? 1_555 175.8 ? 
11 NE2 ? A HIS 50  ? A HIS 41  ? 1_555 MN ? B MN . ? A MN 201 ? 1_555 O5  ? E 85W .   ? A 85W 204 ? 1_555 95.0  ? 
12 OD2 ? A ASP 98  ? A ASP 108 ? 1_555 MN ? B MN . ? A MN 201 ? 1_555 O5  ? E 85W .   ? A 85W 204 ? 1_555 165.2 ? 
13 OE2 ? A GLU 109 ? A GLU 119 ? 1_555 MN ? B MN . ? A MN 201 ? 1_555 O5  ? E 85W .   ? A 85W 204 ? 1_555 89.2  ? 
14 O   ? A ILE 110 ? A ILE 120 ? 1_555 MN ? B MN . ? A MN 201 ? 1_555 O5  ? E 85W .   ? A 85W 204 ? 1_555 90.9  ? 
15 O1  ? E 85W .   ? A 85W 204 ? 1_555 MN ? B MN . ? A MN 201 ? 1_555 O5  ? E 85W .   ? A 85W 204 ? 1_555 91.4  ? 
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 86.8  ? 
17 OE1 ? A GLU 70  ? A GLU 80  ? 1_555 MG ? C MG . ? A MG 202 ? 1_555 O1  ? E 85W .   ? A 85W 204 ? 1_555 110.1 ? 
18 OD1 ? A ASP 98  ? A ASP 108 ? 1_555 MG ? C MG . ? A MG 202 ? 1_555 O1  ? E 85W .   ? A 85W 204 ? 1_555 78.4  ? 
19 OE1 ? A GLU 70  ? A GLU 80  ? 1_555 MG ? C MG . ? A MG 202 ? 1_555 O   ? F HOH .   ? A HOH 303 ? 1_555 155.8 ? 
20 OD1 ? A ASP 98  ? A ASP 108 ? 1_555 MG ? C MG . ? A MG 202 ? 1_555 O   ? F HOH .   ? A HOH 303 ? 1_555 85.7  ? 
21 O1  ? E 85W .   ? A 85W 204 ? 1_555 MG ? C MG . ? A MG 202 ? 1_555 O   ? F HOH .   ? A HOH 303 ? 1_555 90.9  ? 
22 OE1 ? A GLU 70  ? A GLU 80  ? 1_555 MG ? C MG . ? A MG 202 ? 1_555 O   ? F HOH .   ? A HOH 305 ? 1_555 81.0  ? 
23 OD1 ? A ASP 98  ? A ASP 108 ? 1_555 MG ? C MG . ? A MG 202 ? 1_555 O   ? F HOH .   ? A HOH 305 ? 1_555 83.7  ? 
24 O1  ? E 85W .   ? A 85W 204 ? 1_555 MG ? C MG . ? A MG 202 ? 1_555 O   ? F HOH .   ? A HOH 305 ? 1_555 158.2 ? 
25 O   ? F HOH .   ? A HOH 303 ? 1_555 MG ? C MG . ? A MG 202 ? 1_555 O   ? F HOH .   ? A HOH 305 ? 1_555 75.4  ? 
26 OE1 ? A GLU 70  ? A GLU 80  ? 1_555 MG ? C MG . ? A MG 202 ? 1_555 O   ? F HOH .   ? A HOH 311 ? 1_555 97.5  ? 
27 OD1 ? A ASP 98  ? A ASP 108 ? 1_555 MG ? C MG . ? A MG 202 ? 1_555 O   ? F HOH .   ? A HOH 311 ? 1_555 161.6 ? 
28 O1  ? E 85W .   ? A 85W 204 ? 1_555 MG ? C MG . ? A MG 202 ? 1_555 O   ? F HOH .   ? A HOH 311 ? 1_555 116.3 ? 
29 O   ? F HOH .   ? A HOH 303 ? 1_555 MG ? C MG . ? A MG 202 ? 1_555 O   ? F HOH .   ? A HOH 311 ? 1_555 83.2  ? 
30 O   ? F HOH .   ? A HOH 305 ? 1_555 MG ? C MG . ? A MG 202 ? 1_555 O   ? F HOH .   ? A HOH 311 ? 1_555 79.3  ? 
# 
_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                   8PPX 
_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_torsion.id 
_pdbx_validate_torsion.PDB_model_num 
_pdbx_validate_torsion.auth_comp_id 
_pdbx_validate_torsion.auth_asym_id 
_pdbx_validate_torsion.auth_seq_id 
_pdbx_validate_torsion.PDB_ins_code 
_pdbx_validate_torsion.label_alt_id 
_pdbx_validate_torsion.phi 
_pdbx_validate_torsion.psi 
1 1 ASP A 50  ? ? -96.77  35.24   
2 1 ARG A 125 ? ? -108.06 -164.72 
3 1 THR A 162 ? ? 68.80   -65.87  
4 1 SER A 186 ? ? 72.94   41.37   
# 
_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            0.132 
_pdbx_validate_planes.type            'SIDE CHAIN' 
# 
_pdbx_distant_solvent_atoms.id                                1 
_pdbx_distant_solvent_atoms.PDB_model_num                     1 
_pdbx_distant_solvent_atoms.auth_atom_id                      O 
_pdbx_distant_solvent_atoms.label_alt_id                      ? 
_pdbx_distant_solvent_atoms.auth_asym_id                      A 
_pdbx_distant_solvent_atoms.auth_comp_id                      HOH 
_pdbx_distant_solvent_atoms.auth_seq_id                       325 
_pdbx_distant_solvent_atoms.PDB_ins_code                      ? 
_pdbx_distant_solvent_atoms.neighbor_macromolecule_distance   5.94 
_pdbx_distant_solvent_atoms.neighbor_ligand_distance          . 
# 
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 
85W N1   N  N N 1   
85W C4   C  Y N 2   
85W C5   C  Y N 3   
85W C6   C  Y N 4   
85W C7   C  Y N 5   
85W C8   C  Y N 6   
85W C10  C  Y N 7   
85W C13  C  Y N 8   
85W O1   O  N N 9   
85W C1   C  N N 10  
85W C2   C  N N 11  
85W C3   C  N N 12  
85W O2   O  N N 13  
85W C9   C  Y N 14  
85W O3   O  N N 15  
85W C11  C  Y N 16  
85W C12  C  Y N 17  
85W O4   O  N N 18  
85W N2   N  N N 19  
85W C14  C  N N 20  
85W O5   O  N N 21  
85W H1   H  N N 22  
85W H2   H  N N 23  
85W H3   H  N N 24  
85W H4   H  N N 25  
85W H5   H  N N 26  
85W H6   H  N N 27  
85W H7   H  N N 28  
85W H8   H  N N 29  
85W H9   H  N N 30  
85W H10  H  N N 31  
ALA N    N  N N 32  
ALA CA   C  N S 33  
ALA C    C  N N 34  
ALA O    O  N N 35  
ALA CB   C  N N 36  
ALA OXT  O  N N 37  
ALA H    H  N N 38  
ALA H2   H  N N 39  
ALA HA   H  N N 40  
ALA HB1  H  N N 41  
ALA HB2  H  N N 42  
ALA HB3  H  N N 43  
ALA HXT  H  N N 44  
ARG N    N  N N 45  
ARG CA   C  N S 46  
ARG C    C  N N 47  
ARG O    O  N N 48  
ARG CB   C  N N 49  
ARG CG   C  N N 50  
ARG CD   C  N N 51  
ARG NE   N  N N 52  
ARG CZ   C  N N 53  
ARG NH1  N  N N 54  
ARG NH2  N  N N 55  
ARG OXT  O  N N 56  
ARG H    H  N N 57  
ARG H2   H  N N 58  
ARG HA   H  N N 59  
ARG HB2  H  N N 60  
ARG HB3  H  N N 61  
ARG HG2  H  N N 62  
ARG HG3  H  N N 63  
ARG HD2  H  N N 64  
ARG HD3  H  N N 65  
ARG HE   H  N N 66  
ARG HH11 H  N N 67  
ARG HH12 H  N N 68  
ARG HH21 H  N N 69  
ARG HH22 H  N N 70  
ARG HXT  H  N N 71  
ASN N    N  N N 72  
ASN CA   C  N S 73  
ASN C    C  N N 74  
ASN O    O  N N 75  
ASN CB   C  N N 76  
ASN CG   C  N N 77  
ASN OD1  O  N N 78  
ASN ND2  N  N N 79  
ASN OXT  O  N N 80  
ASN H    H  N N 81  
ASN H2   H  N N 82  
ASN HA   H  N N 83  
ASN HB2  H  N N 84  
ASN HB3  H  N N 85  
ASN HD21 H  N N 86  
ASN HD22 H  N N 87  
ASN HXT  H  N N 88  
ASP N    N  N N 89  
ASP CA   C  N S 90  
ASP C    C  N N 91  
ASP O    O  N N 92  
ASP CB   C  N N 93  
ASP CG   C  N N 94  
ASP OD1  O  N N 95  
ASP OD2  O  N N 96  
ASP OXT  O  N N 97  
ASP H    H  N N 98  
ASP H2   H  N N 99  
ASP HA   H  N N 100 
ASP HB2  H  N N 101 
ASP HB3  H  N N 102 
ASP HD2  H  N N 103 
ASP HXT  H  N N 104 
CL  CL   CL N N 105 
CYS N    N  N N 106 
CYS CA   C  N R 107 
CYS C    C  N N 108 
CYS O    O  N N 109 
CYS CB   C  N N 110 
CYS SG   S  N N 111 
CYS OXT  O  N N 112 
CYS H    H  N N 113 
CYS H2   H  N N 114 
CYS HA   H  N N 115 
CYS HB2  H  N N 116 
CYS HB3  H  N N 117 
CYS HG   H  N N 118 
CYS HXT  H  N N 119 
GLN N    N  N N 120 
GLN CA   C  N S 121 
GLN C    C  N N 122 
GLN O    O  N N 123 
GLN CB   C  N N 124 
GLN CG   C  N N 125 
GLN CD   C  N N 126 
GLN OE1  O  N N 127 
GLN NE2  N  N N 128 
GLN OXT  O  N N 129 
GLN H    H  N N 130 
GLN H2   H  N N 131 
GLN HA   H  N N 132 
GLN HB2  H  N N 133 
GLN HB3  H  N N 134 
GLN HG2  H  N N 135 
GLN HG3  H  N N 136 
GLN HE21 H  N N 137 
GLN HE22 H  N N 138 
GLN HXT  H  N N 139 
GLU N    N  N N 140 
GLU CA   C  N S 141 
GLU C    C  N N 142 
GLU O    O  N N 143 
GLU CB   C  N N 144 
GLU CG   C  N N 145 
GLU CD   C  N N 146 
GLU OE1  O  N N 147 
GLU OE2  O  N N 148 
GLU OXT  O  N N 149 
GLU H    H  N N 150 
GLU H2   H  N N 151 
GLU HA   H  N N 152 
GLU HB2  H  N N 153 
GLU HB3  H  N N 154 
GLU HG2  H  N N 155 
GLU HG3  H  N N 156 
GLU HE2  H  N N 157 
GLU HXT  H  N N 158 
GLY N    N  N N 159 
GLY CA   C  N N 160 
GLY C    C  N N 161 
GLY O    O  N N 162 
GLY OXT  O  N N 163 
GLY H    H  N N 164 
GLY H2   H  N N 165 
GLY HA2  H  N N 166 
GLY HA3  H  N N 167 
GLY HXT  H  N N 168 
HIS N    N  N N 169 
HIS CA   C  N S 170 
HIS C    C  N N 171 
HIS O    O  N N 172 
HIS CB   C  N N 173 
HIS CG   C  Y N 174 
HIS ND1  N  Y N 175 
HIS CD2  C  Y N 176 
HIS CE1  C  Y N 177 
HIS NE2  N  Y N 178 
HIS OXT  O  N N 179 
HIS H    H  N N 180 
HIS H2   H  N N 181 
HIS HA   H  N N 182 
HIS HB2  H  N N 183 
HIS HB3  H  N N 184 
HIS HD1  H  N N 185 
HIS HD2  H  N N 186 
HIS HE1  H  N N 187 
HIS HE2  H  N N 188 
HIS HXT  H  N N 189 
HOH O    O  N N 190 
HOH H1   H  N N 191 
HOH H2   H  N N 192 
ILE N    N  N N 193 
ILE CA   C  N S 194 
ILE C    C  N N 195 
ILE O    O  N N 196 
ILE CB   C  N S 197 
ILE CG1  C  N N 198 
ILE CG2  C  N N 199 
ILE CD1  C  N N 200 
ILE OXT  O  N N 201 
ILE H    H  N N 202 
ILE H2   H  N N 203 
ILE HA   H  N N 204 
ILE HB   H  N N 205 
ILE HG12 H  N N 206 
ILE HG13 H  N N 207 
ILE HG21 H  N N 208 
ILE HG22 H  N N 209 
ILE HG23 H  N N 210 
ILE HD11 H  N N 211 
ILE HD12 H  N N 212 
ILE HD13 H  N N 213 
ILE HXT  H  N N 214 
LEU N    N  N N 215 
LEU CA   C  N S 216 
LEU C    C  N N 217 
LEU O    O  N N 218 
LEU CB   C  N N 219 
LEU CG   C  N N 220 
LEU CD1  C  N N 221 
LEU CD2  C  N N 222 
LEU OXT  O  N N 223 
LEU H    H  N N 224 
LEU H2   H  N N 225 
LEU HA   H  N N 226 
LEU HB2  H  N N 227 
LEU HB3  H  N N 228 
LEU HG   H  N N 229 
LEU HD11 H  N N 230 
LEU HD12 H  N N 231 
LEU HD13 H  N N 232 
LEU HD21 H  N N 233 
LEU HD22 H  N N 234 
LEU HD23 H  N N 235 
LEU HXT  H  N N 236 
LYS N    N  N N 237 
LYS CA   C  N S 238 
LYS C    C  N N 239 
LYS O    O  N N 240 
LYS CB   C  N N 241 
LYS CG   C  N N 242 
LYS CD   C  N N 243 
LYS CE   C  N N 244 
LYS NZ   N  N N 245 
LYS OXT  O  N N 246 
LYS H    H  N N 247 
LYS H2   H  N N 248 
LYS HA   H  N N 249 
LYS HB2  H  N N 250 
LYS HB3  H  N N 251 
LYS HG2  H  N N 252 
LYS HG3  H  N N 253 
LYS HD2  H  N N 254 
LYS HD3  H  N N 255 
LYS HE2  H  N N 256 
LYS HE3  H  N N 257 
LYS HZ1  H  N N 258 
LYS HZ2  H  N N 259 
LYS HZ3  H  N N 260 
LYS HXT  H  N N 261 
MET N    N  N N 262 
MET CA   C  N S 263 
MET C    C  N N 264 
MET O    O  N N 265 
MET CB   C  N N 266 
MET CG   C  N N 267 
MET SD   S  N N 268 
MET CE   C  N N 269 
MET OXT  O  N N 270 
MET H    H  N N 271 
MET H2   H  N N 272 
MET HA   H  N N 273 
MET HB2  H  N N 274 
MET HB3  H  N N 275 
MET HG2  H  N N 276 
MET HG3  H  N N 277 
MET HE1  H  N N 278 
MET HE2  H  N N 279 
MET HE3  H  N N 280 
MET HXT  H  N N 281 
MG  MG   MG N N 282 
MN  MN   MN N N 283 
PHE N    N  N N 284 
PHE CA   C  N S 285 
PHE C    C  N N 286 
PHE O    O  N N 287 
PHE CB   C  N N 288 
PHE CG   C  Y N 289 
PHE CD1  C  Y N 290 
PHE CD2  C  Y N 291 
PHE CE1  C  Y N 292 
PHE CE2  C  Y N 293 
PHE CZ   C  Y N 294 
PHE OXT  O  N N 295 
PHE H    H  N N 296 
PHE H2   H  N N 297 
PHE HA   H  N N 298 
PHE HB2  H  N N 299 
PHE HB3  H  N N 300 
PHE HD1  H  N N 301 
PHE HD2  H  N N 302 
PHE HE1  H  N N 303 
PHE HE2  H  N N 304 
PHE HZ   H  N N 305 
PHE HXT  H  N N 306 
PRO N    N  N N 307 
PRO CA   C  N S 308 
PRO C    C  N N 309 
PRO O    O  N N 310 
PRO CB   C  N N 311 
PRO CG   C  N N 312 
PRO CD   C  N N 313 
PRO OXT  O  N N 314 
PRO H    H  N N 315 
PRO HA   H  N N 316 
PRO HB2  H  N N 317 
PRO HB3  H  N N 318 
PRO HG2  H  N N 319 
PRO HG3  H  N N 320 
PRO HD2  H  N N 321 
PRO HD3  H  N N 322 
PRO HXT  H  N N 323 
SER N    N  N N 324 
SER CA   C  N S 325 
SER C    C  N N 326 
SER O    O  N N 327 
SER CB   C  N N 328 
SER OG   O  N N 329 
SER OXT  O  N N 330 
SER H    H  N N 331 
SER H2   H  N N 332 
SER HA   H  N N 333 
SER HB2  H  N N 334 
SER HB3  H  N N 335 
SER HG   H  N N 336 
SER HXT  H  N N 337 
THR N    N  N N 338 
THR CA   C  N S 339 
THR C    C  N N 340 
THR O    O  N N 341 
THR CB   C  N R 342 
THR OG1  O  N N 343 
THR CG2  C  N N 344 
THR OXT  O  N N 345 
THR H    H  N N 346 
THR H2   H  N N 347 
THR HA   H  N N 348 
THR HB   H  N N 349 
THR HG1  H  N N 350 
THR HG21 H  N N 351 
THR HG22 H  N N 352 
THR HG23 H  N N 353 
THR HXT  H  N N 354 
TRP N    N  N N 355 
TRP CA   C  N S 356 
TRP C    C  N N 357 
TRP O    O  N N 358 
TRP CB   C  N N 359 
TRP CG   C  Y N 360 
TRP CD1  C  Y N 361 
TRP CD2  C  Y N 362 
TRP NE1  N  Y N 363 
TRP CE2  C  Y N 364 
TRP CE3  C  Y N 365 
TRP CZ2  C  Y N 366 
TRP CZ3  C  Y N 367 
TRP CH2  C  Y N 368 
TRP OXT  O  N N 369 
TRP H    H  N N 370 
TRP H2   H  N N 371 
TRP HA   H  N N 372 
TRP HB2  H  N N 373 
TRP HB3  H  N N 374 
TRP HD1  H  N N 375 
TRP HE1  H  N N 376 
TRP HE3  H  N N 377 
TRP HZ2  H  N N 378 
TRP HZ3  H  N N 379 
TRP HH2  H  N N 380 
TRP HXT  H  N N 381 
TYR N    N  N N 382 
TYR CA   C  N S 383 
TYR C    C  N N 384 
TYR O    O  N N 385 
TYR CB   C  N N 386 
TYR CG   C  Y N 387 
TYR CD1  C  Y N 388 
TYR CD2  C  Y N 389 
TYR CE1  C  Y N 390 
TYR CE2  C  Y N 391 
TYR CZ   C  Y N 392 
TYR OH   O  N N 393 
TYR OXT  O  N N 394 
TYR H    H  N N 395 
TYR H2   H  N N 396 
TYR HA   H  N N 397 
TYR HB2  H  N N 398 
TYR HB3  H  N N 399 
TYR HD1  H  N N 400 
TYR HD2  H  N N 401 
TYR HE1  H  N N 402 
TYR HE2  H  N N 403 
TYR HH   H  N N 404 
TYR HXT  H  N N 405 
VAL N    N  N N 406 
VAL CA   C  N S 407 
VAL C    C  N N 408 
VAL O    O  N N 409 
VAL CB   C  N N 410 
VAL CG1  C  N N 411 
VAL CG2  C  N N 412 
VAL OXT  O  N N 413 
VAL H    H  N N 414 
VAL H2   H  N N 415 
VAL HA   H  N N 416 
VAL HB   H  N N 417 
VAL HG11 H  N N 418 
VAL HG12 H  N N 419 
VAL HG13 H  N N 420 
VAL HG21 H  N N 421 
VAL HG22 H  N N 422 
VAL HG23 H  N N 423 
VAL HXT  H  N N 424 
# 
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 
85W O1  C1   sing N N 1   
85W C1  C2   doub N N 2   
85W C1  C14  sing N N 3   
85W C2  N1   sing N N 4   
85W O5  C14  doub N N 5   
85W C14 N2   sing N N 6   
85W N1  C3   doub N N 7   
85W N2  C3   sing N N 8   
85W C3  C4   sing N N 9   
85W C13 C4   sing Y N 10  
85W C13 C12  doub Y N 11  
85W C4  C5   doub Y N 12  
85W O4  C12  sing N N 13  
85W C12 C11  sing Y N 14  
85W C5  C6   sing Y N 15  
85W C11 C6   doub Y N 16  
85W C11 C10  sing Y N 17  
85W C6  C7   sing Y N 18  
85W O3  C10  sing N N 19  
85W C10 C9   doub Y N 20  
85W C7  C8   doub Y N 21  
85W C9  C8   sing Y N 22  
85W C8  O2   sing N N 23  
85W C5  H1   sing N N 24  
85W C7  H2   sing N N 25  
85W C13 H3   sing N N 26  
85W O1  H4   sing N N 27  
85W C2  H5   sing N N 28  
85W O2  H6   sing N N 29  
85W C9  H7   sing N N 30  
85W O3  H8   sing N N 31  
85W O4  H9   sing N N 32  
85W N2  H10  sing N N 33  
ALA N   CA   sing N N 34  
ALA N   H    sing N N 35  
ALA N   H2   sing N N 36  
ALA CA  C    sing N N 37  
ALA CA  CB   sing N N 38  
ALA CA  HA   sing N N 39  
ALA C   O    doub N N 40  
ALA C   OXT  sing N N 41  
ALA CB  HB1  sing N N 42  
ALA CB  HB2  sing N N 43  
ALA CB  HB3  sing N N 44  
ALA OXT HXT  sing N N 45  
ARG N   CA   sing N N 46  
ARG N   H    sing N N 47  
ARG N   H2   sing N N 48  
ARG CA  C    sing N N 49  
ARG CA  CB   sing N N 50  
ARG CA  HA   sing N N 51  
ARG C   O    doub N N 52  
ARG C   OXT  sing N N 53  
ARG CB  CG   sing N N 54  
ARG CB  HB2  sing N N 55  
ARG CB  HB3  sing N N 56  
ARG CG  CD   sing N N 57  
ARG CG  HG2  sing N N 58  
ARG CG  HG3  sing N N 59  
ARG CD  NE   sing N N 60  
ARG CD  HD2  sing N N 61  
ARG CD  HD3  sing N N 62  
ARG NE  CZ   sing N N 63  
ARG NE  HE   sing N N 64  
ARG CZ  NH1  sing N N 65  
ARG CZ  NH2  doub N N 66  
ARG NH1 HH11 sing N N 67  
ARG NH1 HH12 sing N N 68  
ARG NH2 HH21 sing N N 69  
ARG NH2 HH22 sing N N 70  
ARG OXT HXT  sing N N 71  
ASN N   CA   sing N N 72  
ASN N   H    sing N N 73  
ASN N   H2   sing N N 74  
ASN CA  C    sing N N 75  
ASN CA  CB   sing N N 76  
ASN CA  HA   sing N N 77  
ASN C   O    doub N N 78  
ASN C   OXT  sing N N 79  
ASN CB  CG   sing N N 80  
ASN CB  HB2  sing N N 81  
ASN CB  HB3  sing N N 82  
ASN CG  OD1  doub N N 83  
ASN CG  ND2  sing N N 84  
ASN ND2 HD21 sing N N 85  
ASN ND2 HD22 sing N N 86  
ASN OXT HXT  sing N N 87  
ASP N   CA   sing N N 88  
ASP N   H    sing N N 89  
ASP N   H2   sing N N 90  
ASP CA  C    sing N N 91  
ASP CA  CB   sing N N 92  
ASP CA  HA   sing N N 93  
ASP C   O    doub N N 94  
ASP C   OXT  sing N N 95  
ASP CB  CG   sing N N 96  
ASP CB  HB2  sing N N 97  
ASP CB  HB3  sing N N 98  
ASP CG  OD1  doub N N 99  
ASP CG  OD2  sing N N 100 
ASP OD2 HD2  sing N N 101 
ASP OXT HXT  sing N N 102 
CYS N   CA   sing N N 103 
CYS N   H    sing N N 104 
CYS N   H2   sing N N 105 
CYS CA  C    sing N N 106 
CYS CA  CB   sing N N 107 
CYS CA  HA   sing N N 108 
CYS C   O    doub N N 109 
CYS C   OXT  sing N N 110 
CYS CB  SG   sing N N 111 
CYS CB  HB2  sing N N 112 
CYS CB  HB3  sing N N 113 
CYS SG  HG   sing N N 114 
CYS OXT HXT  sing N N 115 
GLN N   CA   sing N N 116 
GLN N   H    sing N N 117 
GLN N   H2   sing N N 118 
GLN CA  C    sing N N 119 
GLN CA  CB   sing N N 120 
GLN CA  HA   sing N N 121 
GLN C   O    doub N N 122 
GLN C   OXT  sing N N 123 
GLN CB  CG   sing N N 124 
GLN CB  HB2  sing N N 125 
GLN CB  HB3  sing N N 126 
GLN CG  CD   sing N N 127 
GLN CG  HG2  sing N N 128 
GLN CG  HG3  sing N N 129 
GLN CD  OE1  doub N N 130 
GLN CD  NE2  sing N N 131 
GLN NE2 HE21 sing N N 132 
GLN NE2 HE22 sing N N 133 
GLN OXT HXT  sing N N 134 
GLU N   CA   sing N N 135 
GLU N   H    sing N N 136 
GLU N   H2   sing N N 137 
GLU CA  C    sing N N 138 
GLU CA  CB   sing N N 139 
GLU CA  HA   sing N N 140 
GLU C   O    doub N N 141 
GLU C   OXT  sing N N 142 
GLU CB  CG   sing N N 143 
GLU CB  HB2  sing N N 144 
GLU CB  HB3  sing N N 145 
GLU CG  CD   sing N N 146 
GLU CG  HG2  sing N N 147 
GLU CG  HG3  sing N N 148 
GLU CD  OE1  doub N N 149 
GLU CD  OE2  sing N N 150 
GLU OE2 HE2  sing N N 151 
GLU OXT HXT  sing N N 152 
GLY N   CA   sing N N 153 
GLY N   H    sing N N 154 
GLY N   H2   sing N N 155 
GLY CA  C    sing N N 156 
GLY CA  HA2  sing N N 157 
GLY CA  HA3  sing N N 158 
GLY C   O    doub N N 159 
GLY C   OXT  sing N N 160 
GLY OXT HXT  sing N N 161 
HIS N   CA   sing N N 162 
HIS N   H    sing N N 163 
HIS N   H2   sing N N 164 
HIS CA  C    sing N N 165 
HIS CA  CB   sing N N 166 
HIS CA  HA   sing N N 167 
HIS C   O    doub N N 168 
HIS C   OXT  sing N N 169 
HIS CB  CG   sing N N 170 
HIS CB  HB2  sing N N 171 
HIS CB  HB3  sing N N 172 
HIS CG  ND1  sing Y N 173 
HIS CG  CD2  doub Y N 174 
HIS ND1 CE1  doub Y N 175 
HIS ND1 HD1  sing N N 176 
HIS CD2 NE2  sing Y N 177 
HIS CD2 HD2  sing N N 178 
HIS CE1 NE2  sing Y N 179 
HIS CE1 HE1  sing N N 180 
HIS NE2 HE2  sing N N 181 
HIS OXT HXT  sing N N 182 
HOH O   H1   sing N N 183 
HOH O   H2   sing N N 184 
ILE N   CA   sing N N 185 
ILE N   H    sing N N 186 
ILE N   H2   sing N N 187 
ILE CA  C    sing N N 188 
ILE CA  CB   sing N N 189 
ILE CA  HA   sing N N 190 
ILE C   O    doub N N 191 
ILE C   OXT  sing N N 192 
ILE CB  CG1  sing N N 193 
ILE CB  CG2  sing N N 194 
ILE CB  HB   sing N N 195 
ILE CG1 CD1  sing N N 196 
ILE CG1 HG12 sing N N 197 
ILE CG1 HG13 sing N N 198 
ILE CG2 HG21 sing N N 199 
ILE CG2 HG22 sing N N 200 
ILE CG2 HG23 sing N N 201 
ILE CD1 HD11 sing N N 202 
ILE CD1 HD12 sing N N 203 
ILE CD1 HD13 sing N N 204 
ILE OXT HXT  sing N N 205 
LEU N   CA   sing N N 206 
LEU N   H    sing N N 207 
LEU N   H2   sing N N 208 
LEU CA  C    sing N N 209 
LEU CA  CB   sing N N 210 
LEU CA  HA   sing N N 211 
LEU C   O    doub N N 212 
LEU C   OXT  sing N N 213 
LEU CB  CG   sing N N 214 
LEU CB  HB2  sing N N 215 
LEU CB  HB3  sing N N 216 
LEU CG  CD1  sing N N 217 
LEU CG  CD2  sing N N 218 
LEU CG  HG   sing N N 219 
LEU CD1 HD11 sing N N 220 
LEU CD1 HD12 sing N N 221 
LEU CD1 HD13 sing N N 222 
LEU CD2 HD21 sing N N 223 
LEU CD2 HD22 sing N N 224 
LEU CD2 HD23 sing N N 225 
LEU OXT HXT  sing N N 226 
LYS N   CA   sing N N 227 
LYS N   H    sing N N 228 
LYS N   H2   sing N N 229 
LYS CA  C    sing N N 230 
LYS CA  CB   sing N N 231 
LYS CA  HA   sing N N 232 
LYS C   O    doub N N 233 
LYS C   OXT  sing N N 234 
LYS CB  CG   sing N N 235 
LYS CB  HB2  sing N N 236 
LYS CB  HB3  sing N N 237 
LYS CG  CD   sing N N 238 
LYS CG  HG2  sing N N 239 
LYS CG  HG3  sing N N 240 
LYS CD  CE   sing N N 241 
LYS CD  HD2  sing N N 242 
LYS CD  HD3  sing N N 243 
LYS CE  NZ   sing N N 244 
LYS CE  HE2  sing N N 245 
LYS CE  HE3  sing N N 246 
LYS NZ  HZ1  sing N N 247 
LYS NZ  HZ2  sing N N 248 
LYS NZ  HZ3  sing N N 249 
LYS OXT HXT  sing N N 250 
MET N   CA   sing N N 251 
MET N   H    sing N N 252 
MET N   H2   sing N N 253 
MET CA  C    sing N N 254 
MET CA  CB   sing N N 255 
MET CA  HA   sing N N 256 
MET C   O    doub N N 257 
MET C   OXT  sing N N 258 
MET CB  CG   sing N N 259 
MET CB  HB2  sing N N 260 
MET CB  HB3  sing N N 261 
MET CG  SD   sing N N 262 
MET CG  HG2  sing N N 263 
MET CG  HG3  sing N N 264 
MET SD  CE   sing N N 265 
MET CE  HE1  sing N N 266 
MET CE  HE2  sing N N 267 
MET CE  HE3  sing N N 268 
MET OXT HXT  sing N N 269 
PHE N   CA   sing N N 270 
PHE N   H    sing N N 271 
PHE N   H2   sing N N 272 
PHE CA  C    sing N N 273 
PHE CA  CB   sing N N 274 
PHE CA  HA   sing N N 275 
PHE C   O    doub N N 276 
PHE C   OXT  sing N N 277 
PHE CB  CG   sing N N 278 
PHE CB  HB2  sing N N 279 
PHE CB  HB3  sing N N 280 
PHE CG  CD1  doub Y N 281 
PHE CG  CD2  sing Y N 282 
PHE CD1 CE1  sing Y N 283 
PHE CD1 HD1  sing N N 284 
PHE CD2 CE2  doub Y N 285 
PHE CD2 HD2  sing N N 286 
PHE CE1 CZ   doub Y N 287 
PHE CE1 HE1  sing N N 288 
PHE CE2 CZ   sing Y N 289 
PHE CE2 HE2  sing N N 290 
PHE CZ  HZ   sing N N 291 
PHE OXT HXT  sing N N 292 
PRO N   CA   sing N N 293 
PRO N   CD   sing N N 294 
PRO N   H    sing N N 295 
PRO CA  C    sing N N 296 
PRO CA  CB   sing N N 297 
PRO CA  HA   sing N N 298 
PRO C   O    doub N N 299 
PRO C   OXT  sing N N 300 
PRO CB  CG   sing N N 301 
PRO CB  HB2  sing N N 302 
PRO CB  HB3  sing N N 303 
PRO CG  CD   sing N N 304 
PRO CG  HG2  sing N N 305 
PRO CG  HG3  sing N N 306 
PRO CD  HD2  sing N N 307 
PRO CD  HD3  sing N N 308 
PRO OXT HXT  sing N N 309 
SER N   CA   sing N N 310 
SER N   H    sing N N 311 
SER N   H2   sing N N 312 
SER CA  C    sing N N 313 
SER CA  CB   sing N N 314 
SER CA  HA   sing N N 315 
SER C   O    doub N N 316 
SER C   OXT  sing N N 317 
SER CB  OG   sing N N 318 
SER CB  HB2  sing N N 319 
SER CB  HB3  sing N N 320 
SER OG  HG   sing N N 321 
SER OXT HXT  sing N N 322 
THR N   CA   sing N N 323 
THR N   H    sing N N 324 
THR N   H2   sing N N 325 
THR CA  C    sing N N 326 
THR CA  CB   sing N N 327 
THR CA  HA   sing N N 328 
THR C   O    doub N N 329 
THR C   OXT  sing N N 330 
THR CB  OG1  sing N N 331 
THR CB  CG2  sing N N 332 
THR CB  HB   sing N N 333 
THR OG1 HG1  sing N N 334 
THR CG2 HG21 sing N N 335 
THR CG2 HG22 sing N N 336 
THR CG2 HG23 sing N N 337 
THR OXT HXT  sing N N 338 
TRP N   CA   sing N N 339 
TRP N   H    sing N N 340 
TRP N   H2   sing N N 341 
TRP CA  C    sing N N 342 
TRP CA  CB   sing N N 343 
TRP CA  HA   sing N N 344 
TRP C   O    doub N N 345 
TRP C   OXT  sing N N 346 
TRP CB  CG   sing N N 347 
TRP CB  HB2  sing N N 348 
TRP CB  HB3  sing N N 349 
TRP CG  CD1  doub Y N 350 
TRP CG  CD2  sing Y N 351 
TRP CD1 NE1  sing Y N 352 
TRP CD1 HD1  sing N N 353 
TRP CD2 CE2  doub Y N 354 
TRP CD2 CE3  sing Y N 355 
TRP NE1 CE2  sing Y N 356 
TRP NE1 HE1  sing N N 357 
TRP CE2 CZ2  sing Y N 358 
TRP CE3 CZ3  doub Y N 359 
TRP CE3 HE3  sing N N 360 
TRP CZ2 CH2  doub Y N 361 
TRP CZ2 HZ2  sing N N 362 
TRP CZ3 CH2  sing Y N 363 
TRP CZ3 HZ3  sing N N 364 
TRP CH2 HH2  sing N N 365 
TRP OXT HXT  sing N N 366 
TYR N   CA   sing N N 367 
TYR N   H    sing N N 368 
TYR N   H2   sing N N 369 
TYR CA  C    sing N N 370 
TYR CA  CB   sing N N 371 
TYR CA  HA   sing N N 372 
TYR C   O    doub N N 373 
TYR C   OXT  sing N N 374 
TYR CB  CG   sing N N 375 
TYR CB  HB2  sing N N 376 
TYR CB  HB3  sing N N 377 
TYR CG  CD1  doub Y N 378 
TYR CG  CD2  sing Y N 379 
TYR CD1 CE1  sing Y N 380 
TYR CD1 HD1  sing N N 381 
TYR CD2 CE2  doub Y N 382 
TYR CD2 HD2  sing N N 383 
TYR CE1 CZ   doub Y N 384 
TYR CE1 HE1  sing N N 385 
TYR CE2 CZ   sing Y N 386 
TYR CE2 HE2  sing N N 387 
TYR CZ  OH   sing N N 388 
TYR OH  HH   sing N N 389 
TYR OXT HXT  sing N N 390 
VAL N   CA   sing N N 391 
VAL N   H    sing N N 392 
VAL N   H2   sing N N 393 
VAL CA  C    sing N N 394 
VAL CA  CB   sing N N 395 
VAL CA  HA   sing N N 396 
VAL C   O    doub N N 397 
VAL C   OXT  sing N N 398 
VAL CB  CG1  sing N N 399 
VAL CB  CG2  sing N N 400 
VAL CB  HB   sing N N 401 
VAL CG1 HG11 sing N N 402 
VAL CG1 HG12 sing N N 403 
VAL CG1 HG13 sing N N 404 
VAL CG2 HG21 sing N N 405 
VAL CG2 HG22 sing N N 406 
VAL CG2 HG23 sing N N 407 
VAL OXT HXT  sing N N 408 
# 
_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                    8PPX 
_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]   0.013521 
_atom_sites.fract_transf_matrix[1][2]   0.007806 
_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]   0.015613 
_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]   0.007802 
_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  
CL 
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   ? 36.235 16.487 22.008  0.75 68.72  ? -4  SER A N   1 
ATOM   2    C  CA  . SER A 1 5   ? 35.053 17.122 22.649  0.75 70.12  ? -4  SER A CA  1 
ATOM   3    C  C   . SER A 1 5   ? 33.957 16.072 22.850  0.75 71.22  ? -4  SER A C   1 
ATOM   4    O  O   . SER A 1 5   ? 33.256 15.714 21.906  0.75 70.29  ? -4  SER A O   1 
ATOM   5    C  CB  . SER A 1 5   ? 34.578 18.308 21.833  0.75 68.98  ? -4  SER A CB  1 
ATOM   6    O  OG  . SER A 1 5   ? 33.545 19.020 22.499  0.75 64.90  ? -4  SER A OG  1 
ATOM   7    N  N   . GLY A 1 6   ? 33.841 15.568 24.086  0.75 72.98  ? -3  GLY A N   1 
ATOM   8    C  CA  . GLY A 1 6   ? 32.819 14.601 24.463  0.75 77.73  ? -3  GLY A CA  1 
ATOM   9    C  C   . GLY A 1 6   ? 33.400 13.453 25.292  0.75 83.58  ? -3  GLY A C   1 
ATOM   10   O  O   . GLY A 1 6   ? 34.608 13.409 25.516  0.75 84.27  ? -3  GLY A O   1 
ATOM   11   N  N   . SER A 1 7   ? 32.533 12.520 25.724  0.75 83.51  ? -2  SER A N   1 
ATOM   12   C  CA  . SER A 1 7   ? 32.903 11.476 26.675  0.75 81.88  ? -2  SER A CA  1 
ATOM   13   C  C   . SER A 1 7   ? 32.760 10.072 26.086  0.75 78.87  ? -2  SER A C   1 
ATOM   14   O  O   . SER A 1 7   ? 32.102 9.866  25.070  0.75 75.82  ? -2  SER A O   1 
ATOM   15   C  CB  . SER A 1 7   ? 32.075 11.590 27.931  1.00 84.11  ? -2  SER A CB  1 
ATOM   16   O  OG  . SER A 1 7   ? 30.704 11.321 27.662  1.00 83.26  ? -2  SER A OG  1 
ATOM   17   N  N   . GLY A 1 8   ? 33.363 9.097  26.776  0.75 76.40  ? -1  GLY A N   1 
ATOM   18   C  CA  . GLY A 1 8   ? 33.138 7.689  26.496  0.75 75.11  ? -1  GLY A CA  1 
ATOM   19   C  C   . GLY A 1 8   ? 31.739 7.242  26.918  0.75 71.75  ? -1  GLY A C   1 
ATOM   20   O  O   . GLY A 1 8   ? 31.276 6.188  26.496  0.75 70.61  ? -1  GLY A O   1 
ATOM   21   N  N   . SER A 1 9   ? 31.081 8.043  27.766  1.00 71.33  ? 0   SER A N   1 
ATOM   22   C  CA  . SER A 1 9   ? 29.672 7.853  28.080  1.00 69.70  ? 0   SER A CA  1 
ATOM   23   C  C   . SER A 1 9   ? 28.809 8.236  26.883  1.00 67.65  ? 0   SER A C   1 
ATOM   24   O  O   . SER A 1 9   ? 27.750 7.646  26.673  1.00 68.08  ? 0   SER A O   1 
ATOM   25   C  CB  . SER A 1 9   ? 29.262 8.629  29.298  1.00 71.08  ? 0   SER A CB  1 
ATOM   26   O  OG  . SER A 1 9   ? 29.704 7.976  30.478  1.00 77.09  ? 0   SER A OG  1 
ATOM   27   N  N   . MET A 1 10  ? 29.270 9.232  26.114  1.00 63.42  ? 1   MET A N   1 
ATOM   28   C  CA  . MET A 1 10  ? 28.624 9.586  24.860  1.00 60.19  ? 1   MET A CA  1 
ATOM   29   C  C   . MET A 1 10  ? 28.873 8.488  23.829  1.00 61.92  ? 1   MET A C   1 
ATOM   30   O  O   . MET A 1 10  ? 27.985 8.166  23.042  1.00 57.38  ? 1   MET A O   1 
ATOM   31   C  CB  . MET A 1 10  ? 29.142 10.918 24.315  1.00 56.32  ? 1   MET A CB  1 
ATOM   32   C  CG  . MET A 1 10  ? 28.718 11.185 22.889  1.00 54.57  ? 1   MET A CG  1 
ATOM   33   S  SD  . MET A 1 10  ? 26.930 11.160 22.696  0.93 54.07  ? 1   MET A SD  1 
ATOM   34   C  CE  . MET A 1 10  ? 26.568 12.889 22.994  1.00 53.96  ? 1   MET A CE  1 
ATOM   35   N  N   . GLU A 1 11  ? 30.090 7.931  23.840  1.00 64.72  ? 2   GLU A N   1 
ATOM   36   C  CA  . GLU A 1 11  ? 30.442 6.834  22.955  1.00 65.69  ? 2   GLU A CA  1 
ATOM   37   C  C   . GLU A 1 11  ? 29.502 5.665  23.225  1.00 63.86  ? 2   GLU A C   1 
ATOM   38   O  O   . GLU A 1 11  ? 28.854 5.156  22.313  1.00 65.12  ? 2   GLU A O   1 
ATOM   39   C  CB  . GLU A 1 11  ? 31.895 6.406  23.164  1.00 68.60  ? 2   GLU A CB  1 
ATOM   40   C  CG  . GLU A 1 11  ? 32.470 5.667  21.971  1.00 67.44  ? 2   GLU A CG  1 
ATOM   41   C  CD  . GLU A 1 11  ? 33.606 4.714  22.292  1.00 67.55  ? 2   GLU A CD  1 
ATOM   42   O  OE1 . GLU A 1 11  ? 34.383 5.010  23.223  1.00 76.29  ? 2   GLU A OE1 1 
ATOM   43   O  OE2 . GLU A 1 11  ? 33.726 3.693  21.591  1.00 64.05  ? 2   GLU A OE2 1 
ATOM   44   N  N   . ASP A 1 12  ? 29.430 5.270  24.499  1.00 64.87  ? 3   ASP A N   1 
ATOM   45   C  CA  . ASP A 1 12  ? 28.571 4.187  24.947  1.00 65.28  ? 3   ASP A CA  1 
ATOM   46   C  C   . ASP A 1 12  ? 27.128 4.444  24.522  1.00 61.43  ? 3   ASP A C   1 
ATOM   47   O  O   . ASP A 1 12  ? 26.439 3.514  24.105  1.00 67.16  ? 3   ASP A O   1 
ATOM   48   C  CB  . ASP A 1 12  ? 28.682 3.995  26.460  1.00 70.33  ? 3   ASP A CB  1 
ATOM   49   C  CG  . ASP A 1 12  ? 30.083 3.610  26.906  1.00 79.64  ? 3   ASP A CG  1 
ATOM   50   O  OD1 . ASP A 1 12  ? 30.964 3.497  26.026  1.00 87.55  ? 3   ASP A OD1 1 
ATOM   51   O  OD2 . ASP A 1 12  ? 30.288 3.436  28.125  1.00 83.57  ? 3   ASP A OD2 1 
ATOM   52   N  N   . PHE A 1 13  ? 26.681 5.702  24.620  1.00 59.24  ? 4   PHE A N   1 
ATOM   53   C  CA  . PHE A 1 13  ? 25.317 6.053  24.250  1.00 59.02  ? 4   PHE A CA  1 
ATOM   54   C  C   . PHE A 1 13  ? 25.057 5.776  22.774  1.00 59.46  ? 4   PHE A C   1 
ATOM   55   O  O   . PHE A 1 13  ? 23.994 5.270  22.420  1.00 61.27  ? 4   PHE A O   1 
ATOM   56   C  CB  . PHE A 1 13  ? 25.006 7.534  24.470  1.00 60.28  ? 4   PHE A CB  1 
ATOM   57   C  CG  . PHE A 1 13  ? 23.688 7.951  23.864  1.00 62.32  ? 4   PHE A CG  1 
ATOM   58   C  CD1 . PHE A 1 13  ? 22.498 7.398  24.315  1.00 66.86  ? 4   PHE A CD1 1 
ATOM   59   C  CD2 . PHE A 1 13  ? 23.634 8.855  22.813  1.00 58.42  ? 4   PHE A CD2 1 
ATOM   60   C  CE1 . PHE A 1 13  ? 21.284 7.767  23.754  1.00 63.44  ? 4   PHE A CE1 1 
ATOM   61   C  CE2 . PHE A 1 13  ? 22.420 9.220  22.251  1.00 56.61  ? 4   PHE A CE2 1 
ATOM   62   C  CZ  . PHE A 1 13  ? 21.248 8.676  22.722  1.00 58.85  ? 4   PHE A CZ  1 
ATOM   63   N  N   . VAL A 1 14  ? 26.020 6.166  21.930  1.00 62.27  ? 5   VAL A N   1 
ATOM   64   C  CA  . VAL A 1 14  ? 25.919 6.006  20.487  1.00 60.66  ? 5   VAL A CA  1 
ATOM   65   C  C   . VAL A 1 14  ? 25.742 4.527  20.146  1.00 59.14  ? 5   VAL A C   1 
ATOM   66   O  O   . VAL A 1 14  ? 24.897 4.179  19.325  1.00 57.32  ? 5   VAL A O   1 
ATOM   67   C  CB  . VAL A 1 14  ? 27.145 6.617  19.779  1.00 60.52  ? 5   VAL A CB  1 
ATOM   68   C  CG1 . VAL A 1 14  ? 27.299 6.131  18.343  1.00 60.81  ? 5   VAL A CG1 1 
ATOM   69   C  CG2 . VAL A 1 14  ? 27.108 8.136  19.830  1.00 60.10  ? 5   VAL A CG2 1 
ATOM   70   N  N   . ARG A 1 15  ? 26.534 3.663  20.788  1.00 58.14  ? 6   ARG A N   1 
ATOM   71   C  CA  . ARG A 1 15  ? 26.508 2.243  20.479  1.00 61.12  ? 6   ARG A CA  1 
ATOM   72   C  C   . ARG A 1 15  ? 25.207 1.610  20.976  1.00 58.30  ? 6   ARG A C   1 
ATOM   73   O  O   . ARG A 1 15  ? 24.760 0.622  20.404  1.00 59.45  ? 6   ARG A O   1 
ATOM   74   C  CB  . ARG A 1 15  ? 27.751 1.556  21.055  1.00 64.50  ? 6   ARG A CB  1 
ATOM   75   C  CG  . ARG A 1 15  ? 29.058 2.060  20.458  1.00 63.72  ? 6   ARG A CG  1 
ATOM   76   C  CD  . ARG A 1 15  ? 30.283 1.340  20.989  1.00 64.75  ? 6   ARG A CD  1 
ATOM   77   N  NE  . ARG A 1 15  ? 31.517 1.952  20.510  1.00 63.02  ? 6   ARG A NE  1 
ATOM   78   C  CZ  . ARG A 1 15  ? 31.963 1.906  19.256  1.00 62.37  ? 6   ARG A CZ  1 
ATOM   79   N  NH1 . ARG A 1 15  ? 31.358 1.158  18.346  1.00 61.07  ? 6   ARG A NH1 1 
ATOM   80   N  NH2 . ARG A 1 15  ? 33.041 2.595  18.919  1.00 60.14  ? 6   ARG A NH2 1 
ATOM   81   N  N   . GLN A 1 16  ? 24.587 2.177  22.016  1.00 61.37  ? 7   GLN A N   1 
ATOM   82   C  CA  . GLN A 1 16  ? 23.322 1.658  22.520  1.00 65.10  ? 7   GLN A CA  1 
ATOM   83   C  C   . GLN A 1 16  ? 22.137 2.157  21.692  1.00 62.43  ? 7   GLN A C   1 
ATOM   84   O  O   . GLN A 1 16  ? 21.139 1.454  21.565  1.00 63.87  ? 7   GLN A O   1 
ATOM   85   C  CB  . GLN A 1 16  ? 23.091 2.090  23.966  1.00 72.24  ? 7   GLN A CB  1 
ATOM   86   C  CG  . GLN A 1 16  ? 24.076 1.491  24.954  1.00 81.55  ? 7   GLN A CG  1 
ATOM   87   C  CD  . GLN A 1 16  ? 23.940 2.120  26.319  1.00 89.55  ? 7   GLN A CD  1 
ATOM   88   O  OE1 . GLN A 1 16  ? 23.085 2.976  26.545  1.00 90.65  ? 7   GLN A OE1 1 
ATOM   89   N  NE2 . GLN A 1 16  ? 24.791 1.699  27.241  1.00 93.46  ? 7   GLN A NE2 1 
ATOM   90   N  N   . CYS A 1 17  ? 22.243 3.376  21.151  1.00 57.76  ? 8   CYS A N   1 
ATOM   91   C  CA  . CYS A 1 17  ? 21.093 4.093  20.616  1.00 57.76  ? 8   CYS A CA  1 
ATOM   92   C  C   . CYS A 1 17  ? 20.898 3.803  19.127  1.00 57.65  ? 8   CYS A C   1 
ATOM   93   O  O   . CYS A 1 17  ? 19.765 3.734  18.657  1.00 57.87  ? 8   CYS A O   1 
ATOM   94   C  CB  . CYS A 1 17  ? 21.243 5.593  20.868  1.00 59.38  ? 8   CYS A CB  1 
ATOM   95   S  SG  . CYS A 1 17  ? 20.048 6.650  20.002  0.66 55.41  ? 8   CYS A SG  1 
ATOM   96   N  N   . PHE A 1 18  ? 21.995 3.637  18.381  1.00 58.68  ? 9   PHE A N   1 
ATOM   97   C  CA  . PHE A 1 18  ? 21.910 3.566  16.930  1.00 56.16  ? 9   PHE A CA  1 
ATOM   98   C  C   . PHE A 1 18  ? 22.110 2.134  16.443  1.00 56.21  ? 9   PHE A C   1 
ATOM   99   O  O   . PHE A 1 18  ? 22.799 1.341  17.078  1.00 59.63  ? 9   PHE A O   1 
ATOM   100  C  CB  . PHE A 1 18  ? 22.918 4.531  16.302  1.00 53.31  ? 9   PHE A CB  1 
ATOM   101  C  CG  . PHE A 1 18  ? 22.594 5.985  16.537  1.00 49.11  ? 9   PHE A CG  1 
ATOM   102  C  CD1 . PHE A 1 18  ? 21.513 6.581  15.907  1.00 47.99  ? 9   PHE A CD1 1 
ATOM   103  C  CD2 . PHE A 1 18  ? 23.351 6.751  17.409  1.00 47.72  ? 9   PHE A CD2 1 
ATOM   104  C  CE1 . PHE A 1 18  ? 21.208 7.915  16.131  1.00 45.90  ? 9   PHE A CE1 1 
ATOM   105  C  CE2 . PHE A 1 18  ? 23.051 8.087  17.624  1.00 47.47  ? 9   PHE A CE2 1 
ATOM   106  C  CZ  . PHE A 1 18  ? 21.974 8.663  16.994  1.00 47.93  ? 9   PHE A CZ  1 
ATOM   107  N  N   . ASN A 1 19  ? 21.496 1.836  15.293  1.00 55.95  ? 10  ASN A N   1 
ATOM   108  C  CA  . ASN A 1 19  ? 21.568 0.530  14.659  1.00 57.07  ? 10  ASN A CA  1 
ATOM   109  C  C   . ASN A 1 19  ? 23.022 0.258  14.272  1.00 53.93  ? 10  ASN A C   1 
ATOM   110  O  O   . ASN A 1 19  ? 23.699 1.138  13.759  1.00 54.64  ? 10  ASN A O   1 
ATOM   111  C  CB  . ASN A 1 19  ? 20.582 0.454  13.487  1.00 59.17  ? 10  ASN A CB  1 
ATOM   112  C  CG  . ASN A 1 19  ? 21.123 -0.290 12.287  1.00 68.97  ? 10  ASN A CG  1 
ATOM   113  O  OD1 . ASN A 1 19  ? 21.506 0.329  11.299  1.00 78.91  ? 10  ASN A OD1 1 
ATOM   114  N  ND2 . ASN A 1 19  ? 21.179 -1.610 12.366  1.00 78.33  ? 10  ASN A ND2 1 
ATOM   115  N  N   . PRO A 1 20  ? 23.573 -0.939 14.567  1.00 48.49  ? 11  PRO A N   1 
ATOM   116  C  CA  . PRO A 1 20  ? 24.953 -1.282 14.201  1.00 49.81  ? 11  PRO A CA  1 
ATOM   117  C  C   . PRO A 1 20  ? 25.471 -0.895 12.815  1.00 47.59  ? 11  PRO A C   1 
ATOM   118  O  O   . PRO A 1 20  ? 26.649 -0.587 12.669  1.00 51.11  ? 11  PRO A O   1 
ATOM   119  C  CB  . PRO A 1 20  ? 24.924 -2.810 14.319  1.00 48.37  ? 11  PRO A CB  1 
ATOM   120  C  CG  . PRO A 1 20  ? 24.005 -3.047 15.495  1.00 48.02  ? 11  PRO A CG  1 
ATOM   121  C  CD  . PRO A 1 20  ? 22.924 -1.995 15.353  1.00 46.97  ? 11  PRO A CD  1 
ATOM   122  N  N   . MET A 1 21  ? 24.598 -0.901 11.805  1.00 48.77  ? 12  MET A N   1 
ATOM   123  C  CA  . MET A 1 21  ? 24.982 -0.549 10.441  1.00 49.96  ? 12  MET A CA  1 
ATOM   124  C  C   . MET A 1 21  ? 25.294 0.946  10.350  1.00 47.01  ? 12  MET A C   1 
ATOM   125  O  O   . MET A 1 21  ? 26.280 1.347  9.734   1.00 48.11  ? 12  MET A O   1 
ATOM   126  C  CB  . MET A 1 21  ? 23.874 -0.907 9.438   1.00 51.94  ? 12  MET A CB  1 
ATOM   127  C  CG  . MET A 1 21  ? 23.976 -0.154 8.122   1.00 56.80  ? 12  MET A CG  1 
ATOM   128  S  SD  . MET A 1 21  ? 22.821 -0.718 6.851   0.41 61.94  ? 12  MET A SD  1 
ATOM   129  C  CE  . MET A 1 21  ? 21.512 0.484  7.079   1.00 70.97  ? 12  MET A CE  1 
ATOM   130  N  N   . ILE A 1 22  ? 24.415 1.758  10.940  1.00 44.48  ? 13  ILE A N   1 
ATOM   131  C  CA  . ILE A 1 22  ? 24.627 3.186  11.095  1.00 43.75  ? 13  ILE A CA  1 
ATOM   132  C  C   . ILE A 1 22  ? 25.922 3.467  11.866  1.00 43.60  ? 13  ILE A C   1 
ATOM   133  O  O   . ILE A 1 22  ? 26.677 4.361  11.499  1.00 48.33  ? 13  ILE A O   1 
ATOM   134  C  CB  . ILE A 1 22  ? 23.379 3.803  11.759  1.00 44.27  ? 13  ILE A CB  1 
ATOM   135  C  CG1 . ILE A 1 22  ? 22.226 3.864  10.757  1.00 47.14  ? 13  ILE A CG1 1 
ATOM   136  C  CG2 . ILE A 1 22  ? 23.678 5.162  12.366  1.00 46.18  ? 13  ILE A CG2 1 
ATOM   137  C  CD1 . ILE A 1 22  ? 20.916 4.351  11.335  1.00 49.20  ? 13  ILE A CD1 1 
ATOM   138  N  N   . VAL A 1 23  ? 26.193 2.712  12.933  1.00 45.14  ? 14  VAL A N   1 
ATOM   139  C  CA  . VAL A 1 23  ? 27.361 2.965  13.769  1.00 45.34  ? 14  VAL A CA  1 
ATOM   140  C  C   . VAL A 1 23  ? 28.633 2.794  12.943  1.00 47.63  ? 14  VAL A C   1 
ATOM   141  O  O   . VAL A 1 23  ? 29.511 3.648  12.975  1.00 50.84  ? 14  VAL A O   1 
ATOM   142  C  CB  . VAL A 1 23  ? 27.350 2.064  15.017  1.00 43.77  ? 14  VAL A CB  1 
ATOM   143  C  CG1 . VAL A 1 23  ? 28.657 2.115  15.786  1.00 43.64  ? 14  VAL A CG1 1 
ATOM   144  C  CG2 . VAL A 1 23  ? 26.189 2.421  15.930  1.00 43.32  ? 14  VAL A CG2 1 
ATOM   145  N  N   . GLU A 1 24  ? 28.696 1.696  12.184  1.00 54.82  ? 15  GLU A N   1 
ATOM   146  C  CA  . GLU A 1 24  ? 29.842 1.335  11.358  1.00 53.82  ? 15  GLU A CA  1 
ATOM   147  C  C   . GLU A 1 24  ? 30.035 2.324  10.207  1.00 50.47  ? 15  GLU A C   1 
ATOM   148  O  O   . GLU A 1 24  ? 31.167 2.630  9.845   1.00 51.22  ? 15  GLU A O   1 
ATOM   149  C  CB  . GLU A 1 24  ? 29.626 -0.080 10.808  1.00 59.16  ? 15  GLU A CB  1 
ATOM   150  C  CG  . GLU A 1 24  ? 30.826 -0.680 10.097  1.00 59.89  ? 15  GLU A CG  1 
ATOM   151  C  CD  . GLU A 1 24  ? 31.975 -1.044 11.017  1.00 61.90  ? 15  GLU A CD  1 
ATOM   152  O  OE1 . GLU A 1 24  ? 31.738 -1.797 11.987  1.00 60.53  ? 15  GLU A OE1 1 
ATOM   153  O  OE2 . GLU A 1 24  ? 33.102 -0.579 10.756  1.00 68.88  ? 15  GLU A OE2 1 
ATOM   154  N  N   . LEU A 1 25  ? 28.941 2.804  9.604   1.00 48.15  ? 16  LEU A N   1 
ATOM   155  C  CA  . LEU A 1 25  ? 29.058 3.756  8.508   1.00 45.77  ? 16  LEU A CA  1 
ATOM   156  C  C   . LEU A 1 25  ? 29.646 5.084  8.988   1.00 47.72  ? 16  LEU A C   1 
ATOM   157  O  O   . LEU A 1 25  ? 30.352 5.743  8.233   1.00 48.10  ? 16  LEU A O   1 
ATOM   158  C  CB  . LEU A 1 25  ? 27.691 3.959  7.853   1.00 45.72  ? 16  LEU A CB  1 
ATOM   159  C  CG  . LEU A 1 25  ? 27.384 3.036  6.675   1.00 48.97  ? 16  LEU A CG  1 
ATOM   160  C  CD1 . LEU A 1 25  ? 25.975 3.277  6.161   1.00 51.38  ? 16  LEU A CD1 1 
ATOM   161  C  CD2 . LEU A 1 25  ? 28.376 3.233  5.543   1.00 48.81  ? 16  LEU A CD2 1 
ATOM   162  N  N   . ALA A 1 26  ? 29.349 5.476  10.235  1.00 50.73  ? 17  ALA A N   1 
ATOM   163  C  CA  . ALA A 1 26  ? 29.844 6.720  10.812  1.00 49.15  ? 17  ALA A CA  1 
ATOM   164  C  C   . ALA A 1 26  ? 31.311 6.591  11.218  1.00 50.21  ? 17  ALA A C   1 
ATOM   165  O  O   . ALA A 1 26  ? 32.076 7.537  11.055  1.00 53.39  ? 17  ALA A O   1 
ATOM   166  C  CB  . ALA A 1 26  ? 28.999 7.107  12.001  1.00 49.71  ? 17  ALA A CB  1 
ATOM   167  N  N   . GLU A 1 27  ? 31.682 5.436  11.789  1.00 51.91  ? 18  GLU A N   1 
ATOM   168  C  CA  . GLU A 1 27  ? 33.065 5.148  12.146  1.00 52.72  ? 18  GLU A CA  1 
ATOM   169  C  C   . GLU A 1 27  ? 33.947 5.235  10.902  1.00 50.92  ? 18  GLU A C   1 
ATOM   170  O  O   . GLU A 1 27  ? 35.092 5.657  10.988  1.00 53.52  ? 18  GLU A O   1 
ATOM   171  C  CB  . GLU A 1 27  ? 33.209 3.762  12.785  1.00 56.47  ? 18  GLU A CB  1 
ATOM   172  C  CG  . GLU A 1 27  ? 33.018 3.742  14.294  1.00 58.67  ? 18  GLU A CG  1 
ATOM   173  C  CD  . GLU A 1 27  ? 33.035 2.365  14.943  1.00 61.48  ? 18  GLU A CD  1 
ATOM   174  O  OE1 . GLU A 1 27  ? 32.370 1.452  14.418  1.00 65.53  ? 18  GLU A OE1 1 
ATOM   175  O  OE2 . GLU A 1 27  ? 33.678 2.216  15.996  1.00 63.36  ? 18  GLU A OE2 1 
ATOM   176  N  N   . LYS A 1 28  ? 33.405 4.832  9.750   1.00 48.37  ? 19  LYS A N   1 
ATOM   177  C  CA  . LYS A 1 28  ? 34.148 4.816  8.504   1.00 47.11  ? 19  LYS A CA  1 
ATOM   178  C  C   . LYS A 1 28  ? 34.270 6.237  7.956   1.00 48.58  ? 19  LYS A C   1 
ATOM   179  O  O   . LYS A 1 28  ? 35.299 6.607  7.398   1.00 54.40  ? 19  LYS A O   1 
ATOM   180  C  CB  . LYS A 1 28  ? 33.443 3.882  7.518   1.00 50.95  ? 19  LYS A CB  1 
ATOM   181  C  CG  . LYS A 1 28  ? 34.233 3.526  6.266   1.00 55.93  ? 19  LYS A CG  1 
ATOM   182  C  CD  . LYS A 1 28  ? 33.427 2.764  5.225   1.00 56.48  ? 19  LYS A CD  1 
ATOM   183  C  CE  . LYS A 1 28  ? 34.175 2.548  3.924   0.50 55.94  ? 19  LYS A CE  1 
ATOM   184  N  NZ  . LYS A 1 28  ? 35.444 1.807  4.126   0.50 54.30  ? 19  LYS A NZ  1 
ATOM   185  N  N   . ALA A 1 29  ? 33.207 7.032  8.102   1.00 46.75  ? 20  ALA A N   1 
ATOM   186  C  CA  . ALA A 1 29  ? 33.194 8.389  7.592   1.00 44.71  ? 20  ALA A CA  1 
ATOM   187  C  C   . ALA A 1 29  ? 34.231 9.221  8.328   1.00 47.89  ? 20  ALA A C   1 
ATOM   188  O  O   . ALA A 1 29  ? 34.909 10.039 7.720   1.00 58.59  ? 20  ALA A O   1 
ATOM   189  C  CB  . ALA A 1 29  ? 31.823 8.986  7.756   1.00 47.54  ? 20  ALA A CB  1 
ATOM   190  N  N   . MET A 1 30  ? 34.325 8.996  9.642   1.00 49.54  ? 21  MET A N   1 
ATOM   191  C  CA  . MET A 1 30  ? 35.172 9.782  10.524  1.00 50.18  ? 21  MET A CA  1 
ATOM   192  C  C   . MET A 1 30  ? 36.639 9.435  10.281  1.00 52.53  ? 21  MET A C   1 
ATOM   193  O  O   . MET A 1 30  ? 37.494 10.316 10.232  1.00 55.81  ? 21  MET A O   1 
ATOM   194  C  CB  . MET A 1 30  ? 34.826 9.501  11.993  1.00 49.78  ? 21  MET A CB  1 
ATOM   195  C  CG  . MET A 1 30  ? 33.585 10.229 12.476  1.00 49.96  ? 21  MET A CG  1 
ATOM   196  S  SD  . MET A 1 30  ? 33.292 10.029 14.252  1.00 51.08  ? 21  MET A SD  1 
ATOM   197  C  CE  . MET A 1 30  ? 34.416 11.256 14.915  1.00 52.48  ? 21  MET A CE  1 
ATOM   198  N  N   . LYS A 1 31  ? 36.915 8.134  10.150  1.00 52.58  ? 22  LYS A N   1 
ATOM   199  C  CA  . LYS A 1 31  ? 38.271 7.642  9.994   1.00 50.72  ? 22  LYS A CA  1 
ATOM   200  C  C   . LYS A 1 31  ? 38.824 8.100  8.648   1.00 50.47  ? 22  LYS A C   1 
ATOM   201  O  O   . LYS A 1 31  ? 40.021 8.355  8.540   1.00 50.06  ? 22  LYS A O   1 
ATOM   202  C  CB  . LYS A 1 31  ? 38.294 6.126  10.200  1.00 51.19  ? 22  LYS A CB  1 
ATOM   203  C  CG  . LYS A 1 31  ? 38.113 5.719  11.656  1.00 53.23  ? 22  LYS A CG  1 
ATOM   204  C  CD  . LYS A 1 31  ? 37.767 4.272  11.856  1.00 55.50  ? 22  LYS A CD  1 
ATOM   205  C  CE  . LYS A 1 31  ? 38.994 3.391  11.860  1.00 58.93  ? 22  LYS A CE  1 
ATOM   206  N  NZ  . LYS A 1 31  ? 38.620 1.958  11.856  1.00 60.68  ? 22  LYS A NZ  1 
ATOM   207  N  N   . GLU A 1 32  ? 37.940 8.283  7.660   1.00 49.47  ? 23  GLU A N   1 
ATOM   208  C  CA  . GLU A 1 32  ? 38.336 8.808  6.360   1.00 51.98  ? 23  GLU A CA  1 
ATOM   209  C  C   . GLU A 1 32  ? 38.840 10.253 6.445   1.00 50.92  ? 23  GLU A C   1 
ATOM   210  O  O   . GLU A 1 32  ? 39.451 10.733 5.490   1.00 52.66  ? 23  GLU A O   1 
ATOM   211  C  CB  . GLU A 1 32  ? 37.179 8.673  5.371   1.00 54.07  ? 23  GLU A CB  1 
ATOM   212  C  CG  . GLU A 1 32  ? 37.012 7.251  4.872   1.00 57.96  ? 23  GLU A CG  1 
ATOM   213  C  CD  . GLU A 1 32  ? 35.805 6.999  3.984   1.00 62.68  ? 23  GLU A CD  1 
ATOM   214  O  OE1 . GLU A 1 32  ? 34.944 7.912  3.877   1.00 59.93  ? 23  GLU A OE1 1 
ATOM   215  O  OE2 . GLU A 1 32  ? 35.736 5.889  3.386   1.00 59.63  ? 23  GLU A OE2 1 
ATOM   216  N  N   . TYR A 1 33  ? 38.616 10.941 7.573   1.00 50.48  ? 24  TYR A N   1 
ATOM   217  C  CA  . TYR A 1 33  ? 39.158 12.277 7.771   1.00 53.51  ? 24  TYR A CA  1 
ATOM   218  C  C   . TYR A 1 33  ? 40.132 12.296 8.943   1.00 52.27  ? 24  TYR A C   1 
ATOM   219  O  O   . TYR A 1 33  ? 40.465 13.361 9.456   1.00 51.80  ? 24  TYR A O   1 
ATOM   220  C  CB  . TYR A 1 33  ? 38.030 13.288 7.982   1.00 60.11  ? 24  TYR A CB  1 
ATOM   221  C  CG  . TYR A 1 33  ? 37.309 13.690 6.703   1.00 67.63  ? 24  TYR A CG  1 
ATOM   222  C  CD1 . TYR A 1 33  ? 36.341 12.870 6.134   1.00 69.96  ? 24  TYR A CD1 1 
ATOM   223  C  CD2 . TYR A 1 33  ? 37.613 14.884 6.058   1.00 72.33  ? 24  TYR A CD2 1 
ATOM   224  C  CE1 . TYR A 1 33  ? 35.684 13.233 4.970   1.00 71.90  ? 24  TYR A CE1 1 
ATOM   225  C  CE2 . TYR A 1 33  ? 36.963 15.259 4.894   1.00 78.37  ? 24  TYR A CE2 1 
ATOM   226  C  CZ  . TYR A 1 33  ? 35.996 14.430 4.350   1.00 78.83  ? 24  TYR A CZ  1 
ATOM   227  O  OH  . TYR A 1 33  ? 35.354 14.789 3.201   1.00 83.78  ? 24  TYR A OH  1 
ATOM   228  N  N   . GLY A 1 34  ? 40.601 11.116 9.354   1.00 57.16  ? 25  GLY A N   1 
ATOM   229  C  CA  . GLY A 1 34  ? 41.603 11.010 10.403  1.00 57.38  ? 25  GLY A CA  1 
ATOM   230  C  C   . GLY A 1 34  ? 41.055 11.346 11.787  1.00 56.73  ? 25  GLY A C   1 
ATOM   231  O  O   . GLY A 1 34  ? 41.813 11.666 12.695  1.00 57.61  ? 25  GLY A O   1 
ATOM   232  N  N   . GLU A 1 35  ? 39.735 11.242 11.944  1.00 56.28  ? 26  GLU A N   1 
ATOM   233  C  CA  . GLU A 1 35  ? 39.091 11.510 13.213  1.00 60.47  ? 26  GLU A CA  1 
ATOM   234  C  C   . GLU A 1 35  ? 38.839 10.172 13.899  1.00 57.37  ? 26  GLU A C   1 
ATOM   235  O  O   . GLU A 1 35  ? 38.566 9.181  13.227  1.00 58.48  ? 26  GLU A O   1 
ATOM   236  C  CB  . GLU A 1 35  ? 37.813 12.318 12.976  1.00 66.35  ? 26  GLU A CB  1 
ATOM   237  C  CG  . GLU A 1 35  ? 38.067 13.780 12.642  1.00 66.83  ? 26  GLU A CG  1 
ATOM   238  C  CD  . GLU A 1 35  ? 36.891 14.525 12.028  1.00 74.72  ? 26  GLU A CD  1 
ATOM   239  O  OE1 . GLU A 1 35  ? 35.977 13.867 11.482  1.00 77.40  ? 26  GLU A OE1 1 
ATOM   240  O  OE2 . GLU A 1 35  ? 36.880 15.769 12.111  1.00 76.98  ? 26  GLU A OE2 1 
ATOM   241  N  N   . ASP A 1 36  ? 38.956 10.159 15.233  1.00 56.23  ? 27  ASP A N   1 
ATOM   242  C  CA  . ASP A 1 36  ? 38.800 8.943  16.020  1.00 58.53  ? 27  ASP A CA  1 
ATOM   243  C  C   . ASP A 1 36  ? 37.436 8.986  16.710  1.00 57.39  ? 27  ASP A C   1 
ATOM   244  O  O   . ASP A 1 36  ? 37.133 9.918  17.455  1.00 57.98  ? 27  ASP A O   1 
ATOM   245  C  CB  . ASP A 1 36  ? 39.964 8.778  17.002  1.00 60.45  ? 27  ASP A CB  1 
ATOM   246  C  CG  . ASP A 1 36  ? 39.997 7.471  17.777  1.00 64.85  ? 27  ASP A CG  1 
ATOM   247  O  OD1 . ASP A 1 36  ? 39.165 6.582  17.506  1.00 67.72  ? 27  ASP A OD1 1 
ATOM   248  O  OD2 . ASP A 1 36  ? 40.864 7.356  18.656  1.00 69.54  ? 27  ASP A OD2 1 
ATOM   249  N  N   . PRO A 1 37  ? 36.544 8.008  16.438  1.00 57.32  ? 28  PRO A N   1 
ATOM   250  C  CA  . PRO A 1 37  ? 35.195 8.007  17.014  1.00 60.68  ? 28  PRO A CA  1 
ATOM   251  C  C   . PRO A 1 37  ? 35.108 7.990  18.538  1.00 60.02  ? 28  PRO A C   1 
ATOM   252  O  O   . PRO A 1 37  ? 34.172 8.543  19.109  1.00 57.18  ? 28  PRO A O   1 
ATOM   253  C  CB  . PRO A 1 37  ? 34.597 6.701  16.471  1.00 57.42  ? 28  PRO A CB  1 
ATOM   254  C  CG  . PRO A 1 37  ? 35.328 6.495  15.169  1.00 56.34  ? 28  PRO A CG  1 
ATOM   255  C  CD  . PRO A 1 37  ? 36.745 6.911  15.478  1.00 55.44  ? 28  PRO A CD  1 
ATOM   256  N  N   . LYS A 1 38  ? 36.080 7.343  19.184  1.00 64.32  ? 29  LYS A N   1 
ATOM   257  C  CA  . LYS A 1 38  ? 36.069 7.218  20.631  1.00 67.08  ? 29  LYS A CA  1 
ATOM   258  C  C   . LYS A 1 38  ? 36.682 8.464  21.267  1.00 65.34  ? 29  LYS A C   1 
ATOM   259  O  O   . LYS A 1 38  ? 36.796 8.527  22.488  1.00 64.81  ? 29  LYS A O   1 
ATOM   260  C  CB  . LYS A 1 38  ? 36.773 5.930  21.065  1.00 70.16  ? 29  LYS A CB  1 
ATOM   261  C  CG  . LYS A 1 38  ? 38.219 5.783  20.618  1.00 79.35  ? 29  LYS A CG  1 
ATOM   262  C  CD  . LYS A 1 38  ? 38.793 4.412  20.896  1.00 84.28  ? 29  LYS A CD  1 
ATOM   263  C  CE  . LYS A 1 38  ? 37.914 3.301  20.361  1.00 87.24  ? 29  LYS A CE  1 
ATOM   264  N  NZ  . LYS A 1 38  ? 38.699 2.087  20.045  1.00 91.26  ? 29  LYS A NZ  1 
ATOM   265  N  N   . ILE A 1 39  ? 37.035 9.463  20.444  1.00 65.44  ? 30  ILE A N   1 
ATOM   266  C  CA  . ILE A 1 39  ? 37.554 10.729 20.944  1.00 67.42  ? 30  ILE A CA  1 
ATOM   267  C  C   . ILE A 1 39  ? 36.590 11.861 20.592  1.00 63.45  ? 30  ILE A C   1 
ATOM   268  O  O   . ILE A 1 39  ? 36.061 12.508 21.492  1.00 62.52  ? 30  ILE A O   1 
ATOM   269  C  CB  . ILE A 1 39  ? 38.979 10.989 20.414  1.00 72.47  ? 30  ILE A CB  1 
ATOM   270  C  CG1 . ILE A 1 39  ? 39.961 9.928  20.920  1.00 74.41  ? 30  ILE A CG1 1 
ATOM   271  C  CG2 . ILE A 1 39  ? 39.439 12.400 20.759  1.00 71.75  ? 30  ILE A CG2 1 
ATOM   272  C  CD1 . ILE A 1 39  ? 41.416 10.244 20.646  1.00 77.63  ? 30  ILE A CD1 1 
ATOM   273  N  N   . GLU A 1 40  ? 36.390 12.122 19.294  1.00 64.00  ? 31  GLU A N   1 
ATOM   274  C  CA  . GLU A 1 40  ? 35.410 13.109 18.858  1.00 68.90  ? 31  GLU A CA  1 
ATOM   275  C  C   . GLU A 1 40  ? 34.021 12.469 18.892  1.00 65.13  ? 31  GLU A C   1 
ATOM   276  O  O   . GLU A 1 40  ? 33.396 12.264 17.855  1.00 64.41  ? 31  GLU A O   1 
ATOM   277  C  CB  . GLU A 1 40  ? 35.766 13.640 17.466  1.00 73.86  ? 31  GLU A CB  1 
ATOM   278  C  CG  . GLU A 1 40  ? 36.934 14.612 17.464  1.00 79.88  ? 31  GLU A CG  1 
ATOM   279  C  CD  . GLU A 1 40  ? 36.572 16.039 17.852  1.00 90.82  ? 31  GLU A CD  1 
ATOM   280  O  OE1 . GLU A 1 40  ? 35.544 16.549 17.348  1.00 94.53  ? 31  GLU A OE1 1 
ATOM   281  O  OE2 . GLU A 1 40  ? 37.326 16.652 18.641  1.00 93.78  ? 31  GLU A OE2 1 
ATOM   282  N  N   . THR A 1 41  ? 33.538 12.177 20.102  1.00 64.22  ? 32  THR A N   1 
ATOM   283  C  CA  . THR A 1 41  ? 32.343 11.369 20.286  1.00 63.97  ? 32  THR A CA  1 
ATOM   284  C  C   . THR A 1 41  ? 31.075 12.178 19.999  1.00 60.78  ? 32  THR A C   1 
ATOM   285  O  O   . THR A 1 41  ? 30.032 11.585 19.739  1.00 54.85  ? 32  THR A O   1 
ATOM   286  C  CB  . THR A 1 41  ? 32.367 10.749 21.687  1.00 64.04  ? 32  THR A CB  1 
ATOM   287  O  OG1 . THR A 1 41  ? 31.331 9.774  21.807  1.00 72.51  ? 32  THR A OG1 1 
ATOM   288  C  CG2 . THR A 1 41  ? 32.219 11.801 22.757  1.00 63.18  ? 32  THR A CG2 1 
ATOM   289  N  N   . ASN A 1 42  ? 31.156 13.516 20.024  1.00 60.29  ? 33  ASN A N   1 
ATOM   290  C  CA  . ASN A 1 42  ? 30.001 14.345 19.689  1.00 59.99  ? 33  ASN A CA  1 
ATOM   291  C  C   . ASN A 1 42  ? 29.748 14.318 18.178  1.00 57.87  ? 33  ASN A C   1 
ATOM   292  O  O   . ASN A 1 42  ? 28.601 14.291 17.741  1.00 54.95  ? 33  ASN A O   1 
ATOM   293  C  CB  . ASN A 1 42  ? 30.135 15.774 20.228  1.00 64.00  ? 33  ASN A CB  1 
ATOM   294  C  CG  . ASN A 1 42  ? 29.779 15.904 21.699  1.00 67.64  ? 33  ASN A CG  1 
ATOM   295  O  OD1 . ASN A 1 42  ? 29.063 15.077 22.261  1.00 61.40  ? 33  ASN A OD1 1 
ATOM   296  N  ND2 . ASN A 1 42  ? 30.254 16.961 22.336  1.00 71.49  ? 33  ASN A ND2 1 
ATOM   297  N  N   . LYS A 1 43  ? 30.819 14.322 17.380  1.00 60.58  ? 34  LYS A N   1 
ATOM   298  C  CA  . LYS A 1 43  ? 30.707 14.163 15.936  1.00 62.34  ? 34  LYS A CA  1 
ATOM   299  C  C   . LYS A 1 43  ? 30.161 12.779 15.588  1.00 57.15  ? 34  LYS A C   1 
ATOM   300  O  O   . LYS A 1 43  ? 29.399 12.645 14.635  1.00 56.66  ? 34  LYS A O   1 
ATOM   301  C  CB  . LYS A 1 43  ? 32.070 14.366 15.266  1.00 70.62  ? 34  LYS A CB  1 
ATOM   302  C  CG  . LYS A 1 43  ? 32.359 15.772 14.766  1.00 80.17  ? 34  LYS A CG  1 
ATOM   303  C  CD  . LYS A 1 43  ? 33.706 15.888 14.084  1.00 87.56  ? 34  LYS A CD  1 
ATOM   304  C  CE  . LYS A 1 43  ? 34.110 17.319 13.793  1.00 95.02  ? 34  LYS A CE  1 
ATOM   305  N  NZ  . LYS A 1 43  ? 34.878 17.427 12.530  1.00 96.36  ? 34  LYS A NZ  1 
ATOM   306  N  N   . PHE A 1 44  ? 30.582 11.758 16.347  1.00 56.11  ? 35  PHE A N   1 
ATOM   307  C  CA  . PHE A 1 44  ? 30.136 10.385 16.141  1.00 53.84  ? 35  PHE A CA  1 
ATOM   308  C  C   . PHE A 1 44  ? 28.608 10.337 16.199  1.00 52.68  ? 35  PHE A C   1 
ATOM   309  O  O   . PHE A 1 44  ? 27.962 9.755  15.327  1.00 55.27  ? 35  PHE A O   1 
ATOM   310  C  CB  . PHE A 1 44  ? 30.778 9.466  17.188  1.00 49.71  ? 35  PHE A CB  1 
ATOM   311  C  CG  . PHE A 1 44  ? 30.692 7.981  16.938  1.00 47.09  ? 35  PHE A CG  1 
ATOM   312  C  CD1 . PHE A 1 44  ? 30.417 7.471  15.680  1.00 48.02  ? 35  PHE A CD1 1 
ATOM   313  C  CD2 . PHE A 1 44  ? 30.898 7.087  17.977  1.00 49.37  ? 35  PHE A CD2 1 
ATOM   314  C  CE1 . PHE A 1 44  ? 30.363 6.104  15.466  1.00 51.45  ? 35  PHE A CE1 1 
ATOM   315  C  CE2 . PHE A 1 44  ? 30.837 5.718  17.765  1.00 51.91  ? 35  PHE A CE2 1 
ATOM   316  C  CZ  . PHE A 1 44  ? 30.571 5.229  16.508  1.00 52.81  ? 35  PHE A CZ  1 
ATOM   317  N  N   . ALA A 1 45  ? 28.040 10.974 17.226  1.00 50.05  ? 36  ALA A N   1 
ATOM   318  C  CA  . ALA A 1 45  ? 26.598 11.027 17.385  1.00 52.21  ? 36  ALA A CA  1 
ATOM   319  C  C   . ALA A 1 45  ? 25.981 11.884 16.284  1.00 50.18  ? 36  ALA A C   1 
ATOM   320  O  O   . ALA A 1 45  ? 24.941 11.524 15.733  1.00 52.06  ? 36  ALA A O   1 
ATOM   321  C  CB  . ALA A 1 45  ? 26.245 11.566 18.744  1.00 54.92  ? 36  ALA A CB  1 
ATOM   322  N  N   . ALA A 1 46  ? 26.620 13.016 15.976  1.00 46.94  ? 37  ALA A N   1 
ATOM   323  C  CA  . ALA A 1 46  ? 26.102 13.911 14.952  1.00 47.28  ? 37  ALA A CA  1 
ATOM   324  C  C   . ALA A 1 46  ? 26.000 13.184 13.613  1.00 46.49  ? 37  ALA A C   1 
ATOM   325  O  O   . ALA A 1 46  ? 24.998 13.299 12.917  1.00 45.43  ? 37  ALA A O   1 
ATOM   326  C  CB  . ALA A 1 46  ? 26.981 15.125 14.826  1.00 48.08  ? 37  ALA A CB  1 
ATOM   327  N  N   . ILE A 1 47  ? 27.052 12.445 13.253  1.00 48.10  ? 38  ILE A N   1 
ATOM   328  C  CA  . ILE A 1 47  ? 27.108 11.767 11.968  1.00 47.97  ? 38  ILE A CA  1 
ATOM   329  C  C   . ILE A 1 47  ? 26.071 10.647 11.949  1.00 45.06  ? 38  ILE A C   1 
ATOM   330  O  O   . ILE A 1 47  ? 25.398 10.444 10.945  1.00 47.13  ? 38  ILE A O   1 
ATOM   331  C  CB  . ILE A 1 47  ? 28.538 11.264 11.693  1.00 49.30  ? 38  ILE A CB  1 
ATOM   332  C  CG1 . ILE A 1 47  ? 29.500 12.435 11.470  1.00 49.46  ? 38  ILE A CG1 1 
ATOM   333  C  CG2 . ILE A 1 47  ? 28.562 10.288 10.527  1.00 49.71  ? 38  ILE A CG2 1 
ATOM   334  C  CD1 . ILE A 1 47  ? 30.962 12.059 11.599  1.00 50.19  ? 38  ILE A CD1 1 
ATOM   335  N  N   . CYS A 1 48  ? 25.945 9.942  13.077  1.00 44.60  ? 39  CYS A N   1 
ATOM   336  C  CA  . CYS A 1 48  ? 24.969 8.876  13.236  1.00 43.72  ? 39  CYS A CA  1 
ATOM   337  C  C   . CYS A 1 48  ? 23.536 9.378  13.042  1.00 43.63  ? 39  CYS A C   1 
ATOM   338  O  O   . CYS A 1 48  ? 22.725 8.714  12.395  1.00 41.86  ? 39  CYS A O   1 
ATOM   339  C  CB  . CYS A 1 48  ? 25.109 8.241  14.611  1.00 42.93  ? 39  CYS A CB  1 
ATOM   340  S  SG  . CYS A 1 48  ? 26.425 7.003  14.690  0.81 42.78  ? 39  CYS A SG  1 
ATOM   341  N  N   . THR A 1 49  ? 23.224 10.540 13.627  1.00 42.75  ? 40  THR A N   1 
ATOM   342  C  CA  . THR A 1 49  ? 21.887 11.108 13.539  1.00 42.71  ? 40  THR A CA  1 
ATOM   343  C  C   . THR A 1 49  ? 21.568 11.453 12.085  1.00 42.74  ? 40  THR A C   1 
ATOM   344  O  O   . THR A 1 49  ? 20.520 11.054 11.584  1.00 48.55  ? 40  THR A O   1 
ATOM   345  C  CB  . THR A 1 49  ? 21.721 12.292 14.503  1.00 43.77  ? 40  THR A CB  1 
ATOM   346  O  OG1 . THR A 1 49  ? 22.012 11.845 15.824  1.00 42.55  ? 40  THR A OG1 1 
ATOM   347  C  CG2 . THR A 1 49  ? 20.321 12.863 14.531  1.00 45.33  ? 40  THR A CG2 1 
ATOM   348  N  N   . HIS A 1 50  ? 22.478 12.155 11.397  1.00 42.13  ? 41  HIS A N   1 
ATOM   349  C  CA  . HIS A 1 50  ? 22.242 12.577 10.022  1.00 42.60  ? 41  HIS A CA  1 
ATOM   350  C  C   . HIS A 1 50  ? 21.952 11.366 9.130   1.00 45.45  ? 41  HIS A C   1 
ATOM   351  O  O   . HIS A 1 50  ? 21.121 11.435 8.226   1.00 46.33  ? 41  HIS A O   1 
ATOM   352  C  CB  . HIS A 1 50  ? 23.425 13.400 9.491   1.00 44.18  ? 41  HIS A CB  1 
ATOM   353  C  CG  . HIS A 1 50  ? 23.343 13.688 8.028   1.00 44.14  ? 41  HIS A CG  1 
ATOM   354  N  ND1 . HIS A 1 50  ? 23.846 12.825 7.081   1.00 45.85  ? 41  HIS A ND1 1 
ATOM   355  C  CD2 . HIS A 1 50  ? 22.763 14.684 7.348   1.00 44.11  ? 41  HIS A CD2 1 
ATOM   356  C  CE1 . HIS A 1 50  ? 23.593 13.306 5.873   1.00 47.63  ? 41  HIS A CE1 1 
ATOM   357  N  NE2 . HIS A 1 50  ? 22.940 14.439 6.012   1.00 45.28  ? 41  HIS A NE2 1 
ATOM   358  N  N   . LEU A 1 51  ? 22.660 10.257 9.376   1.00 50.91  ? 42  LEU A N   1 
ATOM   359  C  CA  . LEU A 1 51  ? 22.479 9.020  8.622   1.00 47.64  ? 42  LEU A CA  1 
ATOM   360  C  C   . LEU A 1 51  ? 21.084 8.455  8.857   1.00 45.35  ? 42  LEU A C   1 
ATOM   361  O  O   . LEU A 1 51  ? 20.391 8.091  7.907   1.00 41.87  ? 42  LEU A O   1 
ATOM   362  C  CB  . LEU A 1 51  ? 23.537 8.006  9.066   1.00 48.61  ? 42  LEU A CB  1 
ATOM   363  C  CG  . LEU A 1 51  ? 24.833 8.024  8.267   1.00 48.07  ? 42  LEU A CG  1 
ATOM   364  C  CD1 . LEU A 1 51  ? 25.960 7.405  9.067   1.00 48.10  ? 42  LEU A CD1 1 
ATOM   365  C  CD2 . LEU A 1 51  ? 24.641 7.276  6.962   1.00 52.77  ? 42  LEU A CD2 1 
ATOM   366  N  N   . GLU A 1 52  ? 20.687 8.381  10.135  1.00 44.84  ? 43  GLU A N   1 
ATOM   367  C  CA  . GLU A 1 52  ? 19.419 7.772  10.497  1.00 44.53  ? 43  GLU A CA  1 
ATOM   368  C  C   . GLU A 1 52  ? 18.268 8.543  9.866   1.00 41.63  ? 43  GLU A C   1 
ATOM   369  O  O   . GLU A 1 52  ? 17.319 7.940  9.384   1.00 43.99  ? 43  GLU A O   1 
ATOM   370  C  CB  . GLU A 1 52  ? 19.236 7.740  12.010  1.00 46.40  ? 43  GLU A CB  1 
ATOM   371  C  CG  . GLU A 1 52  ? 18.028 6.942  12.440  1.00 48.21  ? 43  GLU A CG  1 
ATOM   372  C  CD  . GLU A 1 52  ? 18.074 6.590  13.912  1.00 52.97  ? 43  GLU A CD  1 
ATOM   373  O  OE1 . GLU A 1 52  ? 17.909 7.504  14.726  1.00 59.66  ? 43  GLU A OE1 1 
ATOM   374  O  OE2 . GLU A 1 52  ? 18.325 5.414  14.238  1.00 65.28  ? 43  GLU A OE2 1 
ATOM   375  N  N   . VAL A 1 53  ? 18.354 9.875  9.890   1.00 41.37  ? 44  VAL A N   1 
ATOM   376  C  CA  . VAL A 1 53  ? 17.306 10.707 9.320   1.00 43.31  ? 44  VAL A CA  1 
ATOM   377  C  C   . VAL A 1 53  ? 17.182 10.396 7.831   1.00 44.97  ? 44  VAL A C   1 
ATOM   378  O  O   . VAL A 1 53  ? 16.084 10.141 7.341   1.00 46.91  ? 44  VAL A O   1 
ATOM   379  C  CB  . VAL A 1 53  ? 17.573 12.202 9.579   1.00 43.90  ? 44  VAL A CB  1 
ATOM   380  C  CG1 . VAL A 1 53  ? 16.712 13.107 8.710   1.00 45.35  ? 44  VAL A CG1 1 
ATOM   381  C  CG2 . VAL A 1 53  ? 17.386 12.544 11.049  1.00 42.69  ? 44  VAL A CG2 1 
ATOM   382  N  N   . CYS A 1 54  ? 18.327 10.398 7.138   1.00 45.23  ? 45  CYS A N   1 
ATOM   383  C  CA  . CYS A 1 54  ? 18.399 10.099 5.717   1.00 42.98  ? 45  CYS A CA  1 
ATOM   384  C  C   . CYS A 1 54  ? 17.695 8.774  5.410   1.00 43.55  ? 45  CYS A C   1 
ATOM   385  O  O   . CYS A 1 54  ? 16.955 8.673  4.432   1.00 42.40  ? 45  CYS A O   1 
ATOM   386  C  CB  . CYS A 1 54  ? 19.854 10.072 5.253   1.00 41.80  ? 45  CYS A CB  1 
ATOM   387  S  SG  . CYS A 1 54  ? 20.649 11.701 5.157   0.80 34.69  ? 45  CYS A SG  1 
ATOM   388  N  N   . PHE A 1 55  ? 17.909 7.760  6.257   1.00 45.57  ? 46  PHE A N   1 
ATOM   389  C  CA  . PHE A 1 55  ? 17.322 6.445  6.030   1.00 47.26  ? 46  PHE A CA  1 
ATOM   390  C  C   . PHE A 1 55  ? 15.830 6.484  6.355   1.00 49.09  ? 46  PHE A C   1 
ATOM   391  O  O   . PHE A 1 55  ? 15.039 5.824  5.685   1.00 56.89  ? 46  PHE A O   1 
ATOM   392  C  CB  . PHE A 1 55  ? 18.056 5.353  6.819   1.00 46.35  ? 46  PHE A CB  1 
ATOM   393  C  CG  . PHE A 1 55  ? 19.504 5.113  6.445   1.00 52.60  ? 46  PHE A CG  1 
ATOM   394  C  CD1 . PHE A 1 55  ? 20.073 5.665  5.300   1.00 55.89  ? 46  PHE A CD1 1 
ATOM   395  C  CD2 . PHE A 1 55  ? 20.318 4.340  7.261   1.00 55.92  ? 46  PHE A CD2 1 
ATOM   396  C  CE1 . PHE A 1 55  ? 21.406 5.444  4.983   1.00 55.18  ? 46  PHE A CE1 1 
ATOM   397  C  CE2 . PHE A 1 55  ? 21.651 4.121  6.944   1.00 57.39  ? 46  PHE A CE2 1 
ATOM   398  C  CZ  . PHE A 1 55  ? 22.193 4.671  5.804   1.00 57.01  ? 46  PHE A CZ  1 
ATOM   399  N  N   . MET A 1 56  ? 15.447 7.260  7.376   1.00 49.78  ? 47  MET A N   1 
ATOM   400  C  CA  . MET A 1 56  ? 14.044 7.384  7.747   1.00 48.81  ? 47  MET A CA  1 
ATOM   401  C  C   . MET A 1 56  ? 13.296 8.113  6.631   1.00 47.75  ? 47  MET A C   1 
ATOM   402  O  O   . MET A 1 56  ? 12.242 7.663  6.187   1.00 49.97  ? 47  MET A O   1 
ATOM   403  C  CB  . MET A 1 56  ? 13.874 8.133  9.075   1.00 47.62  ? 47  MET A CB  1 
ATOM   404  C  CG  . MET A 1 56  ? 14.142 7.272  10.304  1.00 46.70  ? 47  MET A CG  1 
ATOM   405  S  SD  . MET A 1 56  ? 13.937 8.171  11.871  0.70 44.25  ? 47  MET A SD  1 
ATOM   406  C  CE  . MET A 1 56  ? 12.163 8.055  12.090  1.00 47.61  ? 47  MET A CE  1 
ATOM   407  N  N   . TYR A 1 57  ? 13.874 9.218  6.153   1.00 47.90  ? 48  TYR A N   1 
ATOM   408  C  CA  . TYR A 1 57  ? 13.288 9.999  5.070   1.00 51.77  ? 48  TYR A CA  1 
ATOM   409  C  C   . TYR A 1 57  ? 13.035 9.126  3.837   1.00 55.03  ? 48  TYR A C   1 
ATOM   410  O  O   . TYR A 1 57  ? 12.039 9.308  3.148   1.00 59.50  ? 48  TYR A O   1 
ATOM   411  C  CB  . TYR A 1 57  ? 14.233 11.168 4.778   1.00 50.75  ? 48  TYR A CB  1 
ATOM   412  C  CG  . TYR A 1 57  ? 13.661 12.412 4.111   1.00 50.31  ? 48  TYR A CG  1 
ATOM   413  C  CD1 . TYR A 1 57  ? 13.136 12.383 2.823   1.00 52.80  ? 48  TYR A CD1 1 
ATOM   414  C  CD2 . TYR A 1 57  ? 13.721 13.641 4.753   1.00 50.57  ? 48  TYR A CD2 1 
ATOM   415  C  CE1 . TYR A 1 57  ? 12.661 13.532 2.210   1.00 50.32  ? 48  TYR A CE1 1 
ATOM   416  C  CE2 . TYR A 1 57  ? 13.248 14.796 4.152   1.00 52.35  ? 48  TYR A CE2 1 
ATOM   417  C  CZ  . TYR A 1 57  ? 12.716 14.742 2.878   1.00 50.90  ? 48  TYR A CZ  1 
ATOM   418  O  OH  . TYR A 1 57  ? 12.251 15.892 2.306   1.00 58.51  ? 48  TYR A OH  1 
ATOM   419  N  N   . SER A 1 58  ? 13.928 8.174  3.547   1.00 62.21  ? 49  SER A N   1 
ATOM   420  C  CA  . SER A 1 58  ? 13.803 7.387  2.330   1.00 65.55  ? 49  SER A CA  1 
ATOM   421  C  C   . SER A 1 58  ? 12.653 6.383  2.425   1.00 64.10  ? 49  SER A C   1 
ATOM   422  O  O   . SER A 1 58  ? 12.058 6.060  1.405   1.00 63.45  ? 49  SER A O   1 
ATOM   423  C  CB  . SER A 1 58  ? 15.100 6.705  1.984   1.00 67.00  ? 49  SER A CB  1 
ATOM   424  O  OG  . SER A 1 58  ? 15.631 6.030  3.115   1.00 70.95  ? 49  SER A OG  1 
ATOM   425  N  N   . ASP A 1 59  ? 12.345 5.888  3.635   1.00 66.38  ? 50  ASP A N   1 
ATOM   426  C  CA  . ASP A 1 59  ? 11.309 4.880  3.817   1.00 66.86  ? 50  ASP A CA  1 
ATOM   427  C  C   . ASP A 1 59  ? 10.001 5.553  4.222   1.00 67.82  ? 50  ASP A C   1 
ATOM   428  O  O   . ASP A 1 59  ? 9.222  4.971  4.967   1.00 69.81  ? 50  ASP A O   1 
ATOM   429  C  CB  . ASP A 1 59  ? 11.718 3.827  4.853   1.00 68.40  ? 50  ASP A CB  1 
ATOM   430  N  N   . GLY A 1 60  ? 9.743  6.751  3.683   1.00 75.45  ? 51  GLY A N   1 
ATOM   431  C  CA  . GLY A 1 60  ? 8.680  7.619  4.166   1.00 78.13  ? 51  GLY A CA  1 
ATOM   432  C  C   . GLY A 1 60  ? 7.590  7.868  3.126   1.00 82.79  ? 51  GLY A C   1 
ATOM   433  O  O   . GLY A 1 60  ? 6.455  8.163  3.492   1.00 86.47  ? 51  GLY A O   1 
ATOM   434  N  N   . GLY A 1 61  ? 7.952  7.780  1.839   1.00 87.23  ? 52  GLY A N   1 
ATOM   435  C  CA  . GLY A 1 61  ? 6.990  7.849  0.750   1.00 85.01  ? 52  GLY A CA  1 
ATOM   436  C  C   . GLY A 1 61  ? 6.575  6.453  0.296   1.00 85.07  ? 52  GLY A C   1 
ATOM   437  O  O   . GLY A 1 61  ? 6.499  5.535  1.111   1.00 80.87  ? 52  GLY A O   1 
ATOM   438  N  N   . SER A 1 62  ? 6.322  6.306  -1.010  1.00 86.17  ? 53  SER A N   1 
ATOM   439  C  CA  . SER A 1 62  ? 6.051  5.005  -1.600  1.00 84.29  ? 53  SER A CA  1 
ATOM   440  C  C   . SER A 1 62  ? 7.335  4.181  -1.640  1.00 85.94  ? 53  SER A C   1 
ATOM   441  O  O   . SER A 1 62  ? 8.409  4.684  -1.311  1.00 86.15  ? 53  SER A O   1 
ATOM   442  C  CB  . SER A 1 62  ? 5.464  5.149  -2.975  1.00 84.15  ? 53  SER A CB  1 
ATOM   443  O  OG  . SER A 1 62  ? 6.480  5.411  -3.929  1.00 89.33  ? 53  SER A OG  1 
ATOM   444  N  N   . LYS A 1 63  ? 7.209  2.909  -2.040  1.00 83.93  ? 73  LYS A N   1 
ATOM   445  C  CA  . LYS A 1 63  ? 8.366  2.069  -2.292  1.00 81.06  ? 73  LYS A CA  1 
ATOM   446  C  C   . LYS A 1 63  ? 9.205  2.694  -3.397  1.00 82.17  ? 73  LYS A C   1 
ATOM   447  O  O   . LYS A 1 63  ? 8.692  2.989  -4.474  1.00 86.25  ? 73  LYS A O   1 
ATOM   448  C  CB  . LYS A 1 63  ? 7.957  0.659  -2.721  1.00 85.85  ? 73  LYS A CB  1 
ATOM   449  C  CG  . LYS A 1 63  ? 7.594  -0.267 -1.573  1.00 91.59  ? 73  LYS A CG  1 
ATOM   450  C  CD  . LYS A 1 63  ? 7.058  -1.605 -1.998  1.00 94.20  ? 73  LYS A CD  1 
ATOM   451  C  CE  . LYS A 1 63  ? 8.036  -2.419 -2.812  1.00 96.69  ? 73  LYS A CE  1 
ATOM   452  N  NZ  . LYS A 1 63  ? 7.426  -3.711 -3.196  1.00 101.21 ? 73  LYS A NZ  1 
ATOM   453  N  N   . HIS A 1 64  ? 10.490 2.908  -3.102  1.00 81.04  ? 74  HIS A N   1 
ATOM   454  C  CA  . HIS A 1 64  ? 11.463 3.274  -4.114  1.00 80.25  ? 74  HIS A CA  1 
ATOM   455  C  C   . HIS A 1 64  ? 11.071 4.601  -4.768  1.00 72.83  ? 74  HIS A C   1 
ATOM   456  O  O   . HIS A 1 64  ? 11.298 4.795  -5.963  1.00 71.43  ? 74  HIS A O   1 
ATOM   457  C  CB  . HIS A 1 64  ? 11.601 2.116  -5.112  1.00 87.36  ? 74  HIS A CB  1 
ATOM   458  C  CG  . HIS A 1 64  ? 12.976 1.930  -5.656  1.00 90.36  ? 74  HIS A CG  1 
ATOM   459  N  ND1 . HIS A 1 64  ? 14.014 1.446  -4.889  1.00 87.29  ? 74  HIS A ND1 1 
ATOM   460  C  CD2 . HIS A 1 64  ? 13.477 2.135  -6.881  1.00 94.12  ? 74  HIS A CD2 1 
ATOM   461  C  CE1 . HIS A 1 64  ? 15.107 1.378  -5.634  1.00 90.95  ? 74  HIS A CE1 1 
ATOM   462  N  NE2 . HIS A 1 64  ? 14.802 1.792  -6.848  1.00 97.10  ? 74  HIS A NE2 1 
ATOM   463  N  N   . ARG A 1 65  ? 10.482 5.516  -3.984  1.00 66.29  ? 75  ARG A N   1 
ATOM   464  C  CA  . ARG A 1 65  ? 10.326 6.896  -4.417  1.00 64.16  ? 75  ARG A CA  1 
ATOM   465  C  C   . ARG A 1 65  ? 11.676 7.600  -4.343  1.00 64.00  ? 75  ARG A C   1 
ATOM   466  O  O   . ARG A 1 65  ? 11.945 8.518  -5.118  1.00 66.97  ? 75  ARG A O   1 
ATOM   467  C  CB  . ARG A 1 65  ? 9.332  7.670  -3.547  1.00 66.34  ? 75  ARG A CB  1 
ATOM   468  C  CG  . ARG A 1 65  ? 9.375  9.176  -3.776  1.00 68.58  ? 75  ARG A CG  1 
ATOM   469  C  CD  . ARG A 1 65  ? 8.133  9.914  -3.328  1.00 71.63  ? 75  ARG A CD  1 
ATOM   470  N  NE  . ARG A 1 65  ? 8.265  11.352 -3.540  1.00 76.87  ? 75  ARG A NE  1 
ATOM   471  C  CZ  . ARG A 1 65  ? 7.674  12.289 -2.801  1.00 79.85  ? 75  ARG A CZ  1 
ATOM   472  N  NH1 . ARG A 1 65  ? 6.704  11.957 -1.966  1.00 81.45  ? 75  ARG A NH1 1 
ATOM   473  N  NH2 . ARG A 1 65  ? 8.022  13.562 -2.933  1.00 75.40  ? 75  ARG A NH2 1 
ATOM   474  N  N   . PHE A 1 66  ? 12.506 7.177  -3.382  1.00 59.37  ? 76  PHE A N   1 
ATOM   475  C  CA  . PHE A 1 66  ? 13.807 7.784  -3.181  1.00 59.06  ? 76  PHE A CA  1 
ATOM   476  C  C   . PHE A 1 66  ? 14.919 6.793  -3.466  1.00 59.13  ? 76  PHE A C   1 
ATOM   477  O  O   . PHE A 1 66  ? 14.821 5.613  -3.137  1.00 59.36  ? 76  PHE A O   1 
ATOM   478  C  CB  . PHE A 1 66  ? 13.986 8.277  -1.747  1.00 58.01  ? 76  PHE A CB  1 
ATOM   479  C  CG  . PHE A 1 66  ? 12.893 9.213  -1.325  1.00 57.73  ? 76  PHE A CG  1 
ATOM   480  C  CD1 . PHE A 1 66  ? 12.784 10.466 -1.903  1.00 58.69  ? 76  PHE A CD1 1 
ATOM   481  C  CD2 . PHE A 1 66  ? 11.933 8.812  -0.414  1.00 58.65  ? 76  PHE A CD2 1 
ATOM   482  C  CE1 . PHE A 1 66  ? 11.757 11.320 -1.538  1.00 60.84  ? 76  PHE A CE1 1 
ATOM   483  C  CE2 . PHE A 1 66  ? 10.902 9.664  -0.058  1.00 60.41  ? 76  PHE A CE2 1 
ATOM   484  C  CZ  . PHE A 1 66  ? 10.818 10.918 -0.618  1.00 59.71  ? 76  PHE A CZ  1 
ATOM   485  N  N   . GLU A 1 67  ? 15.979 7.343  -4.058  1.00 58.59  ? 77  GLU A N   1 
ATOM   486  C  CA  . GLU A 1 67  ? 17.283 6.717  -4.121  1.00 55.81  ? 77  GLU A CA  1 
ATOM   487  C  C   . GLU A 1 67  ? 18.149 7.329  -3.019  1.00 52.69  ? 77  GLU A C   1 
ATOM   488  O  O   . GLU A 1 67  ? 18.209 8.552  -2.892  1.00 51.05  ? 77  GLU A O   1 
ATOM   489  C  CB  . GLU A 1 67  ? 17.858 6.949  -5.520  1.00 55.95  ? 77  GLU A CB  1 
ATOM   490  C  CG  . GLU A 1 67  ? 18.783 5.853  -5.979  1.00 57.01  ? 77  GLU A CG  1 
ATOM   491  C  CD  . GLU A 1 67  ? 18.122 4.489  -5.945  1.00 59.57  ? 77  GLU A CD  1 
ATOM   492  O  OE1 . GLU A 1 67  ? 17.281 4.224  -6.837  1.00 50.90  ? 77  GLU A OE1 1 
ATOM   493  O  OE2 . GLU A 1 67  ? 18.417 3.719  -4.993  1.00 60.10  ? 77  GLU A OE2 1 
ATOM   494  N  N   . ILE A 1 68  ? 18.771 6.461  -2.212  1.00 49.63  ? 78  ILE A N   1 
ATOM   495  C  CA  . ILE A 1 68  ? 19.695 6.852  -1.161  1.00 48.66  ? 78  ILE A CA  1 
ATOM   496  C  C   . ILE A 1 68  ? 21.079 7.042  -1.771  1.00 52.56  ? 78  ILE A C   1 
ATOM   497  O  O   . ILE A 1 68  ? 21.548 6.194  -2.523  1.00 52.41  ? 78  ILE A O   1 
ATOM   498  C  CB  . ILE A 1 68  ? 19.751 5.801  -0.032  1.00 47.74  ? 78  ILE A CB  1 
ATOM   499  C  CG1 . ILE A 1 68  ? 18.355 5.417  0.469   1.00 51.18  ? 78  ILE A CG1 1 
ATOM   500  C  CG2 . ILE A 1 68  ? 20.646 6.293  1.093   1.00 49.19  ? 78  ILE A CG2 1 
ATOM   501  C  CD1 . ILE A 1 68  ? 18.332 4.665  1.789   1.00 50.72  ? 78  ILE A CD1 1 
ATOM   502  N  N   . ILE A 1 69  ? 21.746 8.137  -1.394  1.00 53.03  ? 79  ILE A N   1 
ATOM   503  C  CA  . ILE A 1 69  ? 23.078 8.439  -1.888  1.00 48.65  ? 79  ILE A CA  1 
ATOM   504  C  C   . ILE A 1 69  ? 24.059 8.464  -0.713  1.00 46.28  ? 79  ILE A C   1 
ATOM   505  O  O   . ILE A 1 69  ? 25.188 8.001  -0.842  1.00 48.23  ? 79  ILE A O   1 
ATOM   506  C  CB  . ILE A 1 69  ? 23.038 9.753  -2.695  1.00 47.89  ? 79  ILE A CB  1 
ATOM   507  C  CG1 . ILE A 1 69  ? 22.038 9.655  -3.853  1.00 50.42  ? 79  ILE A CG1 1 
ATOM   508  C  CG2 . ILE A 1 69  ? 24.425 10.146 -3.177  1.00 46.42  ? 79  ILE A CG2 1 
ATOM   509  C  CD1 . ILE A 1 69  ? 21.786 10.956 -4.577  1.00 50.79  ? 79  ILE A CD1 1 
ATOM   510  N  N   . GLU A 1 70  ? 23.621 8.995  0.435   1.00 46.55  ? 80  GLU A N   1 
ATOM   511  C  CA  . GLU A 1 70  ? 24.435 9.029  1.643   1.00 45.11  ? 80  GLU A CA  1 
ATOM   512  C  C   . GLU A 1 70  ? 24.635 7.598  2.138   1.00 43.30  ? 80  GLU A C   1 
ATOM   513  O  O   . GLU A 1 70  ? 23.771 6.755  1.928   1.00 48.35  ? 80  GLU A O   1 
ATOM   514  C  CB  . GLU A 1 70  ? 23.730 9.897  2.690   1.00 45.53  ? 80  GLU A CB  1 
ATOM   515  C  CG  . GLU A 1 70  ? 24.513 10.098 3.979   1.00 45.83  ? 80  GLU A CG  1 
ATOM   516  C  CD  . GLU A 1 70  ? 25.736 10.981 3.836   1.00 43.51  ? 80  GLU A CD  1 
ATOM   517  O  OE1 . GLU A 1 70  ? 25.569 12.191 3.579   1.00 40.70  ? 80  GLU A OE1 1 
ATOM   518  O  OE2 . GLU A 1 70  ? 26.851 10.450 3.958   1.00 44.79  ? 80  GLU A OE2 1 
ATOM   519  N  N   . GLY A 1 71  ? 25.771 7.330  2.794   1.00 43.71  ? 81  GLY A N   1 
ATOM   520  C  CA  . GLY A 1 71  ? 26.071 6.013  3.343   1.00 43.38  ? 81  GLY A CA  1 
ATOM   521  C  C   . GLY A 1 71  ? 26.851 5.120  2.376   1.00 46.36  ? 81  GLY A C   1 
ATOM   522  O  O   . GLY A 1 71  ? 27.485 4.155  2.795   1.00 53.19  ? 81  GLY A O   1 
ATOM   523  N  N   . ARG A 1 72  ? 26.806 5.460  1.085   1.00 46.65  ? 82  ARG A N   1 
ATOM   524  C  CA  . ARG A 1 72  ? 27.521 4.747  0.041   1.00 46.19  ? 82  ARG A CA  1 
ATOM   525  C  C   . ARG A 1 72  ? 28.949 5.264  -0.109  1.00 47.23  ? 82  ARG A C   1 
ATOM   526  O  O   . ARG A 1 72  ? 29.202 6.450  0.091   1.00 52.46  ? 82  ARG A O   1 
ATOM   527  C  CB  . ARG A 1 72  ? 26.773 4.933  -1.281  1.00 46.41  ? 82  ARG A CB  1 
ATOM   528  C  CG  . ARG A 1 72  ? 25.344 4.410  -1.256  1.00 45.50  ? 82  ARG A CG  1 
ATOM   529  C  CD  . ARG A 1 72  ? 24.724 4.482  -2.629  1.00 47.83  ? 82  ARG A CD  1 
ATOM   530  N  NE  . ARG A 1 72  ? 23.343 4.020  -2.654  1.00 52.88  ? 82  ARG A NE  1 
ATOM   531  C  CZ  . ARG A 1 72  ? 22.948 2.755  -2.766  1.00 51.53  ? 82  ARG A CZ  1 
ATOM   532  N  NH1 . ARG A 1 72  ? 23.821 1.760  -2.765  1.00 54.50  ? 82  ARG A NH1 1 
ATOM   533  N  NH2 . ARG A 1 72  ? 21.659 2.495  -2.866  1.00 50.90  ? 82  ARG A NH2 1 
ATOM   534  N  N   . ASP A 1 73  ? 29.869 4.376  -0.514  1.00 49.94  ? 83  ASP A N   1 
ATOM   535  C  CA  . ASP A 1 73  ? 31.212 4.788  -0.894  1.00 50.91  ? 83  ASP A CA  1 
ATOM   536  C  C   . ASP A 1 73  ? 31.103 5.744  -2.081  1.00 47.35  ? 83  ASP A C   1 
ATOM   537  O  O   . ASP A 1 73  ? 30.094 5.787  -2.780  1.00 47.70  ? 83  ASP A O   1 
ATOM   538  C  CB  . ASP A 1 73  ? 32.145 3.600  -1.165  1.00 54.82  ? 83  ASP A CB  1 
ATOM   539  C  CG  . ASP A 1 73  ? 31.828 2.787  -2.411  1.00 62.36  ? 83  ASP A CG  1 
ATOM   540  O  OD1 . ASP A 1 73  ? 31.500 3.391  -3.457  1.00 61.61  ? 83  ASP A OD1 1 
ATOM   541  O  OD2 . ASP A 1 73  ? 31.961 1.550  -2.341  1.00 71.13  ? 83  ASP A OD2 1 
ATOM   542  N  N   . ARG A 1 74  ? 32.167 6.511  -2.299  1.00 44.82  ? 84  ARG A N   1 
ATOM   543  C  CA  . ARG A 1 74  ? 32.126 7.640  -3.210  1.00 45.38  ? 84  ARG A CA  1 
ATOM   544  C  C   . ARG A 1 74  ? 31.855 7.175  -4.642  1.00 47.56  ? 84  ARG A C   1 
ATOM   545  O  O   . ARG A 1 74  ? 31.147 7.861  -5.388  1.00 46.01  ? 84  ARG A O   1 
ATOM   546  C  CB  . ARG A 1 74  ? 33.425 8.436  -3.064  1.00 46.06  ? 84  ARG A CB  1 
ATOM   547  C  CG  . ARG A 1 74  ? 33.613 9.032  -1.677  1.00 45.18  ? 84  ARG A CG  1 
ATOM   548  C  CD  . ARG A 1 74  ? 34.919 9.780  -1.497  1.00 48.90  ? 84  ARG A CD  1 
ATOM   549  N  NE  . ARG A 1 74  ? 34.996 10.410 -0.180  1.00 53.02  ? 84  ARG A NE  1 
ATOM   550  C  CZ  . ARG A 1 74  ? 35.150 9.771  0.985   1.00 57.13  ? 84  ARG A CZ  1 
ATOM   551  N  NH1 . ARG A 1 74  ? 35.099 10.452 2.121   1.00 58.14  ? 84  ARG A NH1 1 
ATOM   552  N  NH2 . ARG A 1 74  ? 35.344 8.460  1.025   1.00 55.20  ? 84  ARG A NH2 1 
ATOM   553  N  N   . ILE A 1 75  ? 32.394 6.002  -5.011  1.00 50.03  ? 85  ILE A N   1 
ATOM   554  C  CA  . ILE A 1 75  ? 32.283 5.481  -6.368  1.00 50.67  ? 85  ILE A CA  1 
ATOM   555  C  C   . ILE A 1 75  ? 30.839 5.080  -6.668  1.00 49.30  ? 85  ILE A C   1 
ATOM   556  O  O   . ILE A 1 75  ? 30.326 5.387  -7.742  1.00 48.25  ? 85  ILE A O   1 
ATOM   557  C  CB  . ILE A 1 75  ? 33.250 4.301  -6.604  1.00 53.19  ? 85  ILE A CB  1 
ATOM   558  C  CG1 . ILE A 1 75  ? 34.713 4.725  -6.454  1.00 55.21  ? 85  ILE A CG1 1 
ATOM   559  C  CG2 . ILE A 1 75  ? 32.991 3.653  -7.960  1.00 53.46  ? 85  ILE A CG2 1 
ATOM   560  C  CD1 . ILE A 1 75  ? 35.713 3.624  -6.745  1.00 55.55  ? 85  ILE A CD1 1 
ATOM   561  N  N   . MET A 1 76  ? 30.202 4.351  -5.742  1.00 51.17  ? 86  MET A N   1 
ATOM   562  C  CA  . MET A 1 76  ? 28.821 3.932  -5.936  1.00 49.59  ? 86  MET A CA  1 
ATOM   563  C  C   . MET A 1 76  ? 27.924 5.159  -5.845  1.00 50.59  ? 86  MET A C   1 
ATOM   564  O  O   . MET A 1 76  ? 26.941 5.269  -6.580  1.00 53.84  ? 86  MET A O   1 
ATOM   565  C  CB  . MET A 1 76  ? 28.377 2.907  -4.888  1.00 50.88  ? 86  MET A CB  1 
ATOM   566  C  CG  . MET A 1 76  ? 29.008 1.530  -5.072  1.00 54.62  ? 86  MET A CG  1 
ATOM   567  S  SD  . MET A 1 76  ? 28.924 0.891  -6.777  0.49 51.66  ? 86  MET A SD  1 
ATOM   568  C  CE  . MET A 1 76  ? 27.189 1.143  -7.137  1.00 50.91  ? 86  MET A CE  1 
ATOM   569  N  N   . ALA A 1 77  ? 28.291 6.083  -4.947  1.00 46.84  ? 87  ALA A N   1 
ATOM   570  C  CA  . ALA A 1 77  ? 27.533 7.305  -4.761  1.00 43.53  ? 87  ALA A CA  1 
ATOM   571  C  C   . ALA A 1 77  ? 27.494 8.081  -6.069  1.00 43.63  ? 87  ALA A C   1 
ATOM   572  O  O   . ALA A 1 77  ? 26.417 8.474  -6.495  1.00 48.81  ? 87  ALA A O   1 
ATOM   573  C  CB  . ALA A 1 77  ? 28.125 8.129  -3.651  1.00 47.05  ? 87  ALA A CB  1 
ATOM   574  N  N   . TRP A 1 78  ? 28.658 8.266  -6.711  1.00 45.55  ? 88  TRP A N   1 
ATOM   575  C  CA  . TRP A 1 78  ? 28.722 8.975  -7.984  1.00 43.19  ? 88  TRP A CA  1 
ATOM   576  C  C   . TRP A 1 78  ? 28.199 8.109  -9.128  1.00 43.99  ? 88  TRP A C   1 
ATOM   577  O  O   . TRP A 1 78  ? 27.796 8.633  -10.161 1.00 48.97  ? 88  TRP A O   1 
ATOM   578  C  CB  . TRP A 1 78  ? 30.143 9.476  -8.285  1.00 42.39  ? 88  TRP A CB  1 
ATOM   579  C  CG  . TRP A 1 78  ? 30.511 10.739 -7.553  1.00 40.78  ? 88  TRP A CG  1 
ATOM   580  C  CD1 . TRP A 1 78  ? 31.422 10.862 -6.546  1.00 43.57  ? 88  TRP A CD1 1 
ATOM   581  C  CD2 . TRP A 1 78  ? 29.964 12.057 -7.763  1.00 42.44  ? 88  TRP A CD2 1 
ATOM   582  N  NE1 . TRP A 1 78  ? 31.474 12.156 -6.105  1.00 43.53  ? 88  TRP A NE1 1 
ATOM   583  C  CE2 . TRP A 1 78  ? 30.597 12.914 -6.836  1.00 45.06  ? 88  TRP A CE2 1 
ATOM   584  C  CE3 . TRP A 1 78  ? 29.009 12.595 -8.633  1.00 45.38  ? 88  TRP A CE3 1 
ATOM   585  C  CZ2 . TRP A 1 78  ? 30.306 14.276 -6.765  1.00 44.88  ? 88  TRP A CZ2 1 
ATOM   586  C  CZ3 . TRP A 1 78  ? 28.720 13.940 -8.558  1.00 44.94  ? 88  TRP A CZ3 1 
ATOM   587  C  CH2 . TRP A 1 78  ? 29.358 14.765 -7.634  1.00 45.20  ? 88  TRP A CH2 1 
ATOM   588  N  N   . THR A 1 79  ? 28.188 6.787  -8.968  1.00 45.78  ? 89  THR A N   1 
ATOM   589  C  CA  . THR A 1 79  ? 27.567 5.952  -9.982  1.00 51.12  ? 89  THR A CA  1 
ATOM   590  C  C   . THR A 1 79  ? 26.073 6.274  -10.047 1.00 53.93  ? 89  THR A C   1 
ATOM   591  O  O   . THR A 1 79  ? 25.542 6.562  -11.119 1.00 61.55  ? 89  THR A O   1 
ATOM   592  C  CB  . THR A 1 79  ? 27.858 4.468  -9.737  1.00 52.85  ? 89  THR A CB  1 
ATOM   593  O  OG1 . THR A 1 79  ? 29.260 4.272  -9.925  1.00 51.88  ? 89  THR A OG1 1 
ATOM   594  C  CG2 . THR A 1 79  ? 27.090 3.560  -10.668 1.00 52.89  ? 89  THR A CG2 1 
ATOM   595  N  N   . VAL A 1 80  ? 25.413 6.238  -8.884  1.00 53.44  ? 90  VAL A N   1 
ATOM   596  C  CA  . VAL A 1 80  ? 23.987 6.505  -8.775  1.00 50.27  ? 90  VAL A CA  1 
ATOM   597  C  C   . VAL A 1 80  ? 23.688 7.891  -9.338  1.00 50.08  ? 90  VAL A C   1 
ATOM   598  O  O   . VAL A 1 80  ? 22.781 8.071  -10.146 1.00 50.47  ? 90  VAL A O   1 
ATOM   599  C  CB  . VAL A 1 80  ? 23.523 6.384  -7.312  1.00 50.30  ? 90  VAL A CB  1 
ATOM   600  C  CG1 . VAL A 1 80  ? 22.178 7.058  -7.077  1.00 53.83  ? 90  VAL A CG1 1 
ATOM   601  C  CG2 . VAL A 1 80  ? 23.500 4.936  -6.841  1.00 46.91  ? 90  VAL A CG2 1 
ATOM   602  N  N   . VAL A 1 81  ? 24.470 8.870  -8.897  1.00 53.03  ? 91  VAL A N   1 
ATOM   603  C  CA  . VAL A 1 81  ? 24.239 10.254 -9.266  1.00 58.12  ? 91  VAL A CA  1 
ATOM   604  C  C   . VAL A 1 81  ? 24.377 10.401 -10.780 1.00 63.89  ? 91  VAL A C   1 
ATOM   605  O  O   . VAL A 1 81  ? 23.466 10.921 -11.420 1.00 77.17  ? 91  VAL A O   1 
ATOM   606  C  CB  . VAL A 1 81  ? 25.169 11.198 -8.479  1.00 54.84  ? 91  VAL A CB  1 
ATOM   607  C  CG1 . VAL A 1 81  ? 25.236 12.594 -9.074  1.00 56.43  ? 91  VAL A CG1 1 
ATOM   608  C  CG2 . VAL A 1 81  ? 24.746 11.269 -7.025  1.00 53.90  ? 91  VAL A CG2 1 
ATOM   609  N  N   . ASN A 1 82  ? 25.496 9.928  -11.350 1.00 67.80  ? 92  ASN A N   1 
ATOM   610  C  CA  . ASN A 1 82  ? 25.764 10.102 -12.773 1.00 65.64  ? 92  ASN A CA  1 
ATOM   611  C  C   . ASN A 1 82  ? 24.670 9.419  -13.597 1.00 61.53  ? 92  ASN A C   1 
ATOM   612  O  O   . ASN A 1 82  ? 24.251 9.943  -14.627 1.00 61.13  ? 92  ASN A O   1 
ATOM   613  C  CB  . ASN A 1 82  ? 27.161 9.611  -13.183 1.00 65.86  ? 92  ASN A CB  1 
ATOM   614  C  CG  . ASN A 1 82  ? 28.278 10.589 -12.873 1.00 63.83  ? 92  ASN A CG  1 
ATOM   615  O  OD1 . ASN A 1 82  ? 28.131 11.792 -13.083 1.00 66.30  ? 92  ASN A OD1 1 
ATOM   616  N  ND2 . ASN A 1 82  ? 29.402 10.087 -12.385 1.00 63.86  ? 92  ASN A ND2 1 
ATOM   617  N  N   . SER A 1 83  ? 24.191 8.259  -13.135 1.00 64.05  ? 93  SER A N   1 
ATOM   618  C  CA  . SER A 1 83  ? 23.162 7.521  -13.852 1.00 67.70  ? 93  SER A CA  1 
ATOM   619  C  C   . SER A 1 83  ? 21.821 8.255  -13.842 1.00 71.39  ? 93  SER A C   1 
ATOM   620  O  O   . SER A 1 83  ? 21.103 8.252  -14.843 1.00 70.82  ? 93  SER A O   1 
ATOM   621  C  CB  . SER A 1 83  ? 22.997 6.139  -13.298 1.00 66.15  ? 93  SER A CB  1 
ATOM   622  O  OG  . SER A 1 83  ? 21.762 5.588  -13.739 1.00 68.98  ? 93  SER A OG  1 
ATOM   623  N  N   . ILE A 1 84  ? 21.457 8.831  -12.691 1.00 70.32  ? 94  ILE A N   1 
ATOM   624  C  CA  . ILE A 1 84  ? 20.193 9.536  -12.575 1.00 70.23  ? 94  ILE A CA  1 
ATOM   625  C  C   . ILE A 1 84  ? 20.219 10.742 -13.507 1.00 69.22  ? 94  ILE A C   1 
ATOM   626  O  O   . ILE A 1 84  ? 19.216 11.039 -14.152 1.00 69.99  ? 94  ILE A O   1 
ATOM   627  C  CB  . ILE A 1 84  ? 19.896 9.942  -11.117 1.00 69.79  ? 94  ILE A CB  1 
ATOM   628  C  CG1 . ILE A 1 84  ? 19.570 8.715  -10.262 1.00 71.89  ? 94  ILE A CG1 1 
ATOM   629  C  CG2 . ILE A 1 84  ? 18.782 10.980 -11.066 1.00 69.75  ? 94  ILE A CG2 1 
ATOM   630  C  CD1 . ILE A 1 84  ? 19.359 9.010  -8.797  1.00 74.18  ? 94  ILE A CD1 1 
ATOM   631  N  N   . CYS A 1 85  ? 21.373 11.420 -13.559 1.00 68.43  ? 95  CYS A N   1 
ATOM   632  C  CA  . CYS A 1 85  ? 21.537 12.616 -14.370 1.00 71.78  ? 95  CYS A CA  1 
ATOM   633  C  C   . CYS A 1 85  ? 21.447 12.275 -15.857 1.00 80.17  ? 95  CYS A C   1 
ATOM   634  O  O   . CYS A 1 85  ? 21.051 13.125 -16.652 1.00 81.32  ? 95  CYS A O   1 
ATOM   635  C  CB  . CYS A 1 85  ? 22.861 13.317 -14.082 1.00 66.31  ? 95  CYS A CB  1 
ATOM   636  S  SG  . CYS A 1 85  ? 22.843 14.321 -12.575 0.83 61.54  ? 95  CYS A SG  1 
ATOM   637  N  N   . ASN A 1 86  ? 21.820 11.040 -16.225 1.00 87.77  ? 96  ASN A N   1 
ATOM   638  C  CA  . ASN A 1 86  ? 21.737 10.602 -17.610 1.00 92.98  ? 96  ASN A CA  1 
ATOM   639  C  C   . ASN A 1 86  ? 20.278 10.313 -17.962 1.00 83.52  ? 96  ASN A C   1 
ATOM   640  O  O   . ASN A 1 86  ? 19.782 10.781 -18.985 1.00 85.43  ? 96  ASN A O   1 
ATOM   641  C  CB  . ASN A 1 86  ? 22.634 9.393  -17.899 1.00 100.98 ? 96  ASN A CB  1 
ATOM   642  C  CG  . ASN A 1 86  ? 22.875 9.189  -19.383 1.00 109.96 ? 96  ASN A CG  1 
ATOM   643  O  OD1 . ASN A 1 86  ? 23.631 9.936  -20.002 1.00 109.45 ? 96  ASN A OD1 1 
ATOM   644  N  ND2 . ASN A 1 86  ? 22.240 8.186  -19.968 1.00 115.95 ? 96  ASN A ND2 1 
ATOM   645  N  N   . THR A 1 87  ? 19.595 9.558  -17.092 1.00 76.98  ? 97  THR A N   1 
ATOM   646  C  CA  . THR A 1 87  ? 18.222 9.138  -17.331 1.00 73.47  ? 97  THR A CA  1 
ATOM   647  C  C   . THR A 1 87  ? 17.253 10.329 -17.297 1.00 74.74  ? 97  THR A C   1 
ATOM   648  O  O   . THR A 1 87  ? 16.179 10.226 -17.886 1.00 76.87  ? 97  THR A O   1 
ATOM   649  C  CB  . THR A 1 87  ? 17.840 8.005  -16.365 1.00 66.38  ? 97  THR A CB  1 
ATOM   650  O  OG1 . THR A 1 87  ? 18.638 6.874  -16.715 1.00 59.68  ? 97  THR A OG1 1 
ATOM   651  C  CG2 . THR A 1 87  ? 16.382 7.604  -16.416 1.00 64.59  ? 97  THR A CG2 1 
ATOM   652  N  N   . THR A 1 88  ? 17.615 11.452 -16.646 1.00 73.51  ? 98  THR A N   1 
ATOM   653  C  CA  . THR A 1 88  ? 16.674 12.550 -16.427 1.00 71.15  ? 98  THR A CA  1 
ATOM   654  C  C   . THR A 1 88  ? 17.197 13.897 -16.938 1.00 75.12  ? 98  THR A C   1 
ATOM   655  O  O   . THR A 1 88  ? 16.405 14.814 -17.146 1.00 74.69  ? 98  THR A O   1 
ATOM   656  C  CB  . THR A 1 88  ? 16.261 12.673 -14.948 1.00 70.72  ? 98  THR A CB  1 
ATOM   657  O  OG1 . THR A 1 88  ? 17.360 13.134 -14.156 1.00 67.00  ? 98  THR A OG1 1 
ATOM   658  C  CG2 . THR A 1 88  ? 15.725 11.378 -14.375 1.00 67.93  ? 98  THR A CG2 1 
ATOM   659  N  N   . GLY A 1 89  ? 18.516 14.047 -17.106 1.00 80.04  ? 99  GLY A N   1 
ATOM   660  C  CA  . GLY A 1 89  ? 19.082 15.266 -17.669 1.00 83.38  ? 99  GLY A CA  1 
ATOM   661  C  C   . GLY A 1 89  ? 19.025 16.465 -16.719 1.00 89.82  ? 99  GLY A C   1 
ATOM   662  O  O   . GLY A 1 89  ? 19.113 17.607 -17.172 1.00 92.99  ? 99  GLY A O   1 
ATOM   663  N  N   . VAL A 1 90  ? 18.900 16.203 -15.408 1.00 91.43  ? 100 VAL A N   1 
ATOM   664  C  CA  . VAL A 1 90  ? 18.898 17.254 -14.397 1.00 91.98  ? 100 VAL A CA  1 
ATOM   665  C  C   . VAL A 1 90  ? 20.343 17.684 -14.144 1.00 86.41  ? 100 VAL A C   1 
ATOM   666  O  O   . VAL A 1 90  ? 21.237 16.842 -14.119 1.00 87.63  ? 100 VAL A O   1 
ATOM   667  C  CB  . VAL A 1 90  ? 18.199 16.793 -13.100 1.00 97.70  ? 100 VAL A CB  1 
ATOM   668  C  CG1 . VAL A 1 90  ? 16.726 16.476 -13.329 1.00 100.54 ? 100 VAL A CG1 1 
ATOM   669  C  CG2 . VAL A 1 90  ? 18.898 15.606 -12.447 1.00 95.10  ? 100 VAL A CG2 1 
ATOM   670  N  N   . GLU A 1 91  ? 20.568 18.993 -13.965 1.00 86.19  ? 101 GLU A N   1 
ATOM   671  C  CA  . GLU A 1 91  ? 21.907 19.524 -13.745 1.00 90.75  ? 101 GLU A CA  1 
ATOM   672  C  C   . GLU A 1 91  ? 22.633 18.663 -12.709 1.00 93.08  ? 101 GLU A C   1 
ATOM   673  O  O   . GLU A 1 91  ? 22.104 18.417 -11.624 1.00 93.94  ? 101 GLU A O   1 
ATOM   674  C  CB  . GLU A 1 91  ? 21.836 20.990 -13.303 1.00 95.47  ? 101 GLU A CB  1 
ATOM   675  N  N   . LYS A 1 92  ? 23.839 18.193 -13.066 1.00 89.44  ? 102 LYS A N   1 
ATOM   676  C  CA  . LYS A 1 92  ? 24.640 17.336 -12.201 1.00 78.78  ? 102 LYS A CA  1 
ATOM   677  C  C   . LYS A 1 92  ? 25.295 18.175 -11.109 1.00 71.19  ? 102 LYS A C   1 
ATOM   678  O  O   . LYS A 1 92  ? 26.036 19.109 -11.409 1.00 71.78  ? 102 LYS A O   1 
ATOM   679  C  CB  . LYS A 1 92  ? 25.735 16.606 -12.984 1.00 77.89  ? 102 LYS A CB  1 
ATOM   680  C  CG  . LYS A 1 92  ? 26.639 15.717 -12.137 1.00 80.73  ? 102 LYS A CG  1 
ATOM   681  C  CD  . LYS A 1 92  ? 27.892 15.230 -12.841 1.00 82.09  ? 102 LYS A CD  1 
ATOM   682  C  CE  . LYS A 1 92  ? 28.936 14.700 -11.876 1.00 81.74  ? 102 LYS A CE  1 
ATOM   683  N  NZ  . LYS A 1 92  ? 30.282 14.614 -12.492 1.00 80.30  ? 102 LYS A NZ  1 
ATOM   684  N  N   . PRO A 1 93  ? 25.076 17.840 -9.816  1.00 65.86  ? 103 PRO A N   1 
ATOM   685  C  CA  . PRO A 1 93  ? 25.563 18.666 -8.715  1.00 65.25  ? 103 PRO A CA  1 
ATOM   686  C  C   . PRO A 1 93  ? 27.068 18.528 -8.530  1.00 61.75  ? 103 PRO A C   1 
ATOM   687  O  O   . PRO A 1 93  ? 27.660 17.549 -8.971  1.00 62.66  ? 103 PRO A O   1 
ATOM   688  C  CB  . PRO A 1 93  ? 24.789 18.133 -7.501  1.00 65.28  ? 103 PRO A CB  1 
ATOM   689  C  CG  . PRO A 1 93  ? 24.550 16.681 -7.836  1.00 66.54  ? 103 PRO A CG  1 
ATOM   690  C  CD  . PRO A 1 93  ? 24.354 16.650 -9.340  1.00 66.84  ? 103 PRO A CD  1 
ATOM   691  N  N   . LYS A 1 94  ? 27.656 19.524 -7.864  1.00 63.03  ? 104 LYS A N   1 
ATOM   692  C  CA  . LYS A 1 94  ? 29.093 19.614 -7.676  1.00 64.37  ? 104 LYS A CA  1 
ATOM   693  C  C   . LYS A 1 94  ? 29.497 18.850 -6.412  1.00 69.63  ? 104 LYS A C   1 
ATOM   694  O  O   . LYS A 1 94  ? 30.627 18.377 -6.318  1.00 71.34  ? 104 LYS A O   1 
ATOM   695  C  CB  . LYS A 1 94  ? 29.505 21.091 -7.649  1.00 69.84  ? 104 LYS A CB  1 
ATOM   696  C  CG  . LYS A 1 94  ? 28.872 21.979 -8.720  1.00 74.06  ? 104 LYS A CG  1 
ATOM   697  C  CD  . LYS A 1 94  ? 29.355 21.697 -10.134 1.00 75.84  ? 104 LYS A CD  1 
ATOM   698  N  N   . PHE A 1 95  ? 28.570 18.728 -5.446  1.00 74.92  ? 105 PHE A N   1 
ATOM   699  C  CA  . PHE A 1 95  ? 28.777 17.932 -4.242  1.00 71.31  ? 105 PHE A CA  1 
ATOM   700  C  C   . PHE A 1 95  ? 27.759 16.793 -4.204  1.00 63.20  ? 105 PHE A C   1 
ATOM   701  O  O   . PHE A 1 95  ? 26.681 16.904 -4.779  1.00 66.62  ? 105 PHE A O   1 
ATOM   702  C  CB  . PHE A 1 95  ? 28.680 18.813 -2.991  1.00 74.46  ? 105 PHE A CB  1 
ATOM   703  C  CG  . PHE A 1 95  ? 29.798 19.818 -2.856  1.00 80.78  ? 105 PHE A CG  1 
ATOM   704  C  CD1 . PHE A 1 95  ? 31.053 19.432 -2.406  1.00 84.09  ? 105 PHE A CD1 1 
ATOM   705  C  CD2 . PHE A 1 95  ? 29.608 21.144 -3.224  1.00 81.69  ? 105 PHE A CD2 1 
ATOM   706  C  CE1 . PHE A 1 95  ? 32.085 20.354 -2.300  1.00 85.69  ? 105 PHE A CE1 1 
ATOM   707  C  CE2 . PHE A 1 95  ? 30.642 22.063 -3.119  1.00 82.92  ? 105 PHE A CE2 1 
ATOM   708  C  CZ  . PHE A 1 95  ? 31.877 21.667 -2.656  0.50 84.35  ? 105 PHE A CZ  1 
ATOM   709  N  N   . LEU A 1 96  ? 28.120 15.693 -3.534  1.00 56.14  ? 106 LEU A N   1 
ATOM   710  C  CA  . LEU A 1 96  ? 27.225 14.559 -3.347  1.00 48.95  ? 106 LEU A CA  1 
ATOM   711  C  C   . LEU A 1 96  ? 26.044 14.950 -2.453  1.00 46.22  ? 106 LEU A C   1 
ATOM   712  O  O   . LEU A 1 96  ? 26.243 15.364 -1.309  1.00 43.96  ? 106 LEU A O   1 
ATOM   713  C  CB  . LEU A 1 96  ? 27.998 13.398 -2.705  1.00 44.71  ? 106 LEU A CB  1 
ATOM   714  C  CG  . LEU A 1 96  ? 28.898 12.566 -3.617  1.00 47.12  ? 106 LEU A CG  1 
ATOM   715  C  CD1 . LEU A 1 96  ? 29.496 11.402 -2.844  1.00 46.55  ? 106 LEU A CD1 1 
ATOM   716  C  CD2 . LEU A 1 96  ? 28.151 12.040 -4.839  1.00 47.97  ? 106 LEU A CD2 1 
ATOM   717  N  N   . PRO A 1 97  ? 24.779 14.800 -2.913  1.00 43.49  ? 107 PRO A N   1 
ATOM   718  C  CA  . PRO A 1 97  ? 23.617 14.957 -2.043  1.00 42.74  ? 107 PRO A CA  1 
ATOM   719  C  C   . PRO A 1 97  ? 23.303 13.695 -1.249  1.00 42.48  ? 107 PRO A C   1 
ATOM   720  O  O   . PRO A 1 97  ? 24.094 12.758 -1.229  1.00 44.93  ? 107 PRO A O   1 
ATOM   721  C  CB  . PRO A 1 97  ? 22.492 15.288 -3.035  1.00 45.50  ? 107 PRO A CB  1 
ATOM   722  C  CG  . PRO A 1 97  ? 23.204 15.551 -4.342  1.00 44.88  ? 107 PRO A CG  1 
ATOM   723  C  CD  . PRO A 1 97  ? 24.359 14.579 -4.301  1.00 44.63  ? 107 PRO A CD  1 
ATOM   724  N  N   . ASP A 1 98  ? 22.143 13.698 -0.586  1.00 42.23  ? 108 ASP A N   1 
ATOM   725  C  CA  . ASP A 1 98  ? 21.761 12.636 0.326   1.00 41.19  ? 108 ASP A CA  1 
ATOM   726  C  C   . ASP A 1 98  ? 20.704 11.721 -0.296  1.00 41.55  ? 108 ASP A C   1 
ATOM   727  O  O   . ASP A 1 98  ? 20.719 10.521 -0.044  1.00 46.35  ? 108 ASP A O   1 
ATOM   728  C  CB  . ASP A 1 98  ? 21.300 13.238 1.654   1.00 41.47  ? 108 ASP A CB  1 
ATOM   729  C  CG  . ASP A 1 98  ? 22.398 14.003 2.368   1.00 40.47  ? 108 ASP A CG  1 
ATOM   730  O  OD1 . ASP A 1 98  ? 23.512 13.443 2.474   1.00 36.39  ? 108 ASP A OD1 1 
ATOM   731  O  OD2 . ASP A 1 98  ? 22.128 15.144 2.831   1.00 39.79  ? 108 ASP A OD2 1 
ATOM   732  N  N   . LEU A 1 99  ? 19.786 12.258 -1.107  1.00 43.07  ? 109 LEU A N   1 
ATOM   733  C  CA  . LEU A 1 99  ? 18.780 11.423 -1.754  1.00 45.14  ? 109 LEU A CA  1 
ATOM   734  C  C   . LEU A 1 99  ? 18.480 11.941 -3.151  1.00 45.36  ? 109 LEU A C   1 
ATOM   735  O  O   . LEU A 1 99  ? 18.849 13.060 -3.489  1.00 47.01  ? 109 LEU A O   1 
ATOM   736  C  CB  . LEU A 1 99  ? 17.469 11.462 -0.963  1.00 44.49  ? 109 LEU A CB  1 
ATOM   737  C  CG  . LEU A 1 99  ? 17.503 10.939 0.465   1.00 45.44  ? 109 LEU A CG  1 
ATOM   738  C  CD1 . LEU A 1 99  ? 16.270 11.406 1.220   1.00 47.19  ? 109 LEU A CD1 1 
ATOM   739  C  CD2 . LEU A 1 99  ? 17.582 9.425  0.469   1.00 46.83  ? 109 LEU A CD2 1 
ATOM   740  N  N   . TYR A 1 100 ? 17.722 11.138 -3.905  1.00 47.27  ? 110 TYR A N   1 
ATOM   741  C  CA  . TYR A 1 100 ? 17.044 11.608 -5.102  1.00 51.59  ? 110 TYR A CA  1 
ATOM   742  C  C   . TYR A 1 100 ? 15.560 11.252 -5.005  1.00 51.07  ? 110 TYR A C   1 
ATOM   743  O  O   . TYR A 1 100 ? 15.209 10.120 -4.691  1.00 54.82  ? 110 TYR A O   1 
ATOM   744  C  CB  . TYR A 1 100 ? 17.684 11.002 -6.356  1.00 54.27  ? 110 TYR A CB  1 
ATOM   745  C  CG  . TYR A 1 100 ? 17.068 11.546 -7.637  1.00 58.73  ? 110 TYR A CG  1 
ATOM   746  C  CD1 . TYR A 1 100 ? 17.318 12.848 -8.041  1.00 62.86  ? 110 TYR A CD1 1 
ATOM   747  C  CD2 . TYR A 1 100 ? 16.191 10.785 -8.404  1.00 60.69  ? 110 TYR A CD2 1 
ATOM   748  C  CE1 . TYR A 1 100 ? 16.744 13.370 -9.188  1.00 65.35  ? 110 TYR A CE1 1 
ATOM   749  C  CE2 . TYR A 1 100 ? 15.606 11.299 -9.550  1.00 61.96  ? 110 TYR A CE2 1 
ATOM   750  C  CZ  . TYR A 1 100 ? 15.886 12.596 -9.945  1.00 64.17  ? 110 TYR A CZ  1 
ATOM   751  O  OH  . TYR A 1 100 ? 15.335 13.145 -11.070 1.00 75.16  ? 110 TYR A OH  1 
ATOM   752  N  N   . ASP A 1 101 ? 14.687 12.221 -5.291  1.00 55.65  ? 111 ASP A N   1 
ATOM   753  C  CA  . ASP A 1 101 ? 13.249 12.004 -5.251  1.00 58.14  ? 111 ASP A CA  1 
ATOM   754  C  C   . ASP A 1 101 ? 12.741 11.769 -6.674  1.00 57.46  ? 111 ASP A C   1 
ATOM   755  O  O   . ASP A 1 101 ? 12.612 12.712 -7.450  1.00 52.04  ? 111 ASP A O   1 
ATOM   756  C  CB  . ASP A 1 101 ? 12.551 13.194 -4.589  1.00 61.59  ? 111 ASP A CB  1 
ATOM   757  C  CG  . ASP A 1 101 ? 11.037 13.099 -4.546  1.00 66.79  ? 111 ASP A CG  1 
ATOM   758  O  OD1 . ASP A 1 101 ? 10.498 12.030 -4.908  1.00 70.54  ? 111 ASP A OD1 1 
ATOM   759  O  OD2 . ASP A 1 101 ? 10.405 14.100 -4.153  1.00 74.11  ? 111 ASP A OD2 1 
ATOM   760  N  N   . TYR A 1 102 ? 12.433 10.508 -6.999  1.00 57.93  ? 112 TYR A N   1 
ATOM   761  C  CA  . TYR A 1 102 ? 11.996 10.144 -8.338  1.00 62.15  ? 112 TYR A CA  1 
ATOM   762  C  C   . TYR A 1 102 ? 10.704 10.858 -8.720  1.00 68.41  ? 112 TYR A C   1 
ATOM   763  O  O   . TYR A 1 102 ? 10.460 11.087 -9.902  1.00 77.01  ? 112 TYR A O   1 
ATOM   764  C  CB  . TYR A 1 102 ? 11.790 8.633  -8.462  1.00 59.63  ? 112 TYR A CB  1 
ATOM   765  C  CG  . TYR A 1 102 ? 13.105 7.878  -8.557  1.00 54.46  ? 112 TYR A CG  1 
ATOM   766  C  CD1 . TYR A 1 102 ? 13.983 8.103  -9.611  1.00 55.81  ? 112 TYR A CD1 1 
ATOM   767  C  CD2 . TYR A 1 102 ? 13.483 6.973  -7.578  1.00 52.42  ? 112 TYR A CD2 1 
ATOM   768  C  CE1 . TYR A 1 102 ? 15.195 7.435  -9.696  1.00 55.38  ? 112 TYR A CE1 1 
ATOM   769  C  CE2 . TYR A 1 102 ? 14.687 6.294  -7.654  1.00 55.33  ? 112 TYR A CE2 1 
ATOM   770  C  CZ  . TYR A 1 102 ? 15.547 6.525  -8.714  1.00 55.72  ? 112 TYR A CZ  1 
ATOM   771  O  OH  . TYR A 1 102 ? 16.738 5.854  -8.771  1.00 56.91  ? 112 TYR A OH  1 
ATOM   772  N  N   . LYS A 1 103 ? 9.874  11.198 -7.729  1.00 72.29  ? 113 LYS A N   1 
ATOM   773  C  CA  . LYS A 1 103 ? 8.548  11.716 -8.016  1.00 72.58  ? 113 LYS A CA  1 
ATOM   774  C  C   . LYS A 1 103 ? 8.628  13.190 -8.419  1.00 72.68  ? 113 LYS A C   1 
ATOM   775  O  O   . LYS A 1 103 ? 7.943  13.591 -9.354  1.00 75.99  ? 113 LYS A O   1 
ATOM   776  C  CB  . LYS A 1 103 ? 7.610  11.474 -6.831  1.00 72.49  ? 113 LYS A CB  1 
ATOM   777  C  CG  . LYS A 1 103 ? 6.142  11.756 -7.121  1.00 74.21  ? 113 LYS A CG  1 
ATOM   778  C  CD  . LYS A 1 103 ? 5.179  11.229 -6.080  0.50 70.19  ? 113 LYS A CD  1 
ATOM   779  C  CE  . LYS A 1 103 ? 3.750  11.626 -6.379  0.50 68.39  ? 113 LYS A CE  1 
ATOM   780  N  NZ  . LYS A 1 103 ? 2.778  10.759 -5.674  0.50 67.35  ? 113 LYS A NZ  1 
ATOM   781  N  N   . GLU A 1 104 ? 9.452  13.994 -7.732  1.00 72.08  ? 114 GLU A N   1 
ATOM   782  C  CA  . GLU A 1 104 ? 9.544  15.419 -8.031  1.00 73.44  ? 114 GLU A CA  1 
ATOM   783  C  C   . GLU A 1 104 ? 10.821 15.702 -8.829  1.00 75.12  ? 114 GLU A C   1 
ATOM   784  O  O   . GLU A 1 104 ? 11.089 16.853 -9.172  1.00 72.98  ? 114 GLU A O   1 
ATOM   785  C  CB  . GLU A 1 104 ? 9.460  16.253 -6.747  1.00 76.73  ? 114 GLU A CB  1 
ATOM   786  C  CG  . GLU A 1 104 ? 8.150  16.095 -5.973  1.00 80.75  ? 114 GLU A CG  1 
ATOM   787  C  CD  . GLU A 1 104 ? 6.970  16.937 -6.440  1.00 83.63  ? 114 GLU A CD  1 
ATOM   788  O  OE1 . GLU A 1 104 ? 5.985  16.351 -6.937  1.00 89.38  ? 114 GLU A OE1 1 
ATOM   789  O  OE2 . GLU A 1 104 ? 7.018  18.175 -6.276  1.00 79.06  ? 114 GLU A OE2 1 
ATOM   790  N  N   . ASN A 1 105 ? 11.590 14.638 -9.118  1.00 77.07  ? 115 ASN A N   1 
ATOM   791  C  CA  . ASN A 1 105 ? 12.752 14.661 -10.000 1.00 74.62  ? 115 ASN A CA  1 
ATOM   792  C  C   . ASN A 1 105 ? 13.727 15.761 -9.591  1.00 71.32  ? 115 ASN A C   1 
ATOM   793  O  O   . ASN A 1 105 ? 14.029 16.674 -10.361 1.00 66.58  ? 115 ASN A O   1 
ATOM   794  C  CB  . ASN A 1 105 ? 12.346 14.721 -11.474 1.00 78.61  ? 115 ASN A CB  1 
ATOM   795  C  CG  . ASN A 1 105 ? 11.846 13.386 -11.983 1.00 82.21  ? 115 ASN A CG  1 
ATOM   796  O  OD1 . ASN A 1 105 ? 10.671 13.241 -12.316 1.00 86.20  ? 115 ASN A OD1 1 
ATOM   797  N  ND2 . ASN A 1 105 ? 12.727 12.398 -12.030 1.00 80.37  ? 115 ASN A ND2 1 
ATOM   798  N  N   . ARG A 1 106 ? 14.252 15.607 -8.374  1.00 66.38  ? 116 ARG A N   1 
ATOM   799  C  CA  . ARG A 1 106 ? 15.240 16.519 -7.829  1.00 64.81  ? 116 ARG A CA  1 
ATOM   800  C  C   . ARG A 1 106 ? 16.036 15.786 -6.753  1.00 63.75  ? 116 ARG A C   1 
ATOM   801  O  O   . ARG A 1 106 ? 15.538 14.836 -6.146  1.00 67.57  ? 116 ARG A O   1 
ATOM   802  C  CB  . ARG A 1 106 ? 14.534 17.763 -7.281  1.00 66.27  ? 116 ARG A CB  1 
ATOM   803  C  CG  . ARG A 1 106 ? 13.496 17.463 -6.209  1.00 67.28  ? 116 ARG A CG  1 
ATOM   804  C  CD  . ARG A 1 106 ? 12.555 18.625 -5.941  1.00 69.09  ? 116 ARG A CD  1 
ATOM   805  N  NE  . ARG A 1 106 ? 11.560 18.282 -4.932  1.00 67.40  ? 116 ARG A NE  1 
ATOM   806  C  CZ  . ARG A 1 106 ? 10.513 19.031 -4.600  1.00 67.07  ? 116 ARG A CZ  1 
ATOM   807  N  NH1 . ARG A 1 106 ? 10.190 20.092 -5.321  1.00 64.47  ? 116 ARG A NH1 1 
ATOM   808  N  NH2 . ARG A 1 106 ? 9.770  18.687 -3.561  1.00 66.55  ? 116 ARG A NH2 1 
ATOM   809  N  N   . PHE A 1 107 ? 17.281 16.225 -6.543  1.00 60.81  ? 117 PHE A N   1 
ATOM   810  C  CA  . PHE A 1 107 ? 18.096 15.745 -5.438  1.00 57.95  ? 117 PHE A CA  1 
ATOM   811  C  C   . PHE A 1 107 ? 17.673 16.429 -4.144  1.00 55.45  ? 117 PHE A C   1 
ATOM   812  O  O   . PHE A 1 107 ? 17.017 17.468 -4.164  1.00 59.38  ? 117 PHE A O   1 
ATOM   813  C  CB  . PHE A 1 107 ? 19.574 16.002 -5.719  1.00 59.75  ? 117 PHE A CB  1 
ATOM   814  C  CG  . PHE A 1 107 ? 20.134 15.085 -6.770  1.00 62.47  ? 117 PHE A CG  1 
ATOM   815  C  CD1 . PHE A 1 107 ? 20.629 13.837 -6.426  1.00 62.02  ? 117 PHE A CD1 1 
ATOM   816  C  CD2 . PHE A 1 107 ? 20.094 15.438 -8.110  1.00 64.41  ? 117 PHE A CD2 1 
ATOM   817  C  CE1 . PHE A 1 107 ? 21.121 12.981 -7.400  1.00 62.90  ? 117 PHE A CE1 1 
ATOM   818  C  CE2 . PHE A 1 107 ? 20.580 14.578 -9.083  1.00 63.43  ? 117 PHE A CE2 1 
ATOM   819  C  CZ  . PHE A 1 107 ? 21.093 13.352 -8.726  1.00 59.93  ? 117 PHE A CZ  1 
ATOM   820  N  N   . ILE A 1 108 ? 18.060 15.822 -3.020  1.00 53.21  ? 118 ILE A N   1 
ATOM   821  C  CA  . ILE A 1 108 ? 17.751 16.371 -1.711  1.00 53.49  ? 118 ILE A CA  1 
ATOM   822  C  C   . ILE A 1 108 ? 19.020 16.336 -0.865  1.00 50.67  ? 118 ILE A C   1 
ATOM   823  O  O   . ILE A 1 108 ? 19.647 15.285 -0.718  1.00 49.16  ? 118 ILE A O   1 
ATOM   824  C  CB  . ILE A 1 108 ? 16.594 15.612 -1.025  1.00 56.07  ? 118 ILE A CB  1 
ATOM   825  C  CG1 . ILE A 1 108 ? 15.365 15.462 -1.924  1.00 58.16  ? 118 ILE A CG1 1 
ATOM   826  C  CG2 . ILE A 1 108 ? 16.215 16.273 0.293   1.00 55.98  ? 118 ILE A CG2 1 
ATOM   827  C  CD1 . ILE A 1 108 ? 14.274 14.599 -1.324  1.00 57.62  ? 118 ILE A CD1 1 
ATOM   828  N  N   . GLU A 1 109 ? 19.391 17.504 -0.335  1.00 47.92  ? 119 GLU A N   1 
ATOM   829  C  CA  . GLU A 1 109 ? 20.342 17.589 0.758   1.00 49.23  ? 119 GLU A CA  1 
ATOM   830  C  C   . GLU A 1 109 ? 19.544 17.669 2.051   1.00 50.56  ? 119 GLU A C   1 
ATOM   831  O  O   . GLU A 1 109 ? 18.555 18.392 2.138   1.00 49.56  ? 119 GLU A O   1 
ATOM   832  C  CB  . GLU A 1 109 ? 21.266 18.799 0.599   1.00 52.34  ? 119 GLU A CB  1 
ATOM   833  C  CG  . GLU A 1 109 ? 22.285 18.975 1.717   1.00 50.92  ? 119 GLU A CG  1 
ATOM   834  C  CD  . GLU A 1 109 ? 23.130 17.756 2.034   1.00 52.39  ? 119 GLU A CD  1 
ATOM   835  O  OE1 . GLU A 1 109 ? 23.630 17.122 1.082   1.00 58.45  ? 119 GLU A OE1 1 
ATOM   836  O  OE2 . GLU A 1 109 ? 23.294 17.453 3.231   1.00 46.90  ? 119 GLU A OE2 1 
ATOM   837  N  N   . ILE A 1 110 ? 19.979 16.902 3.047   1.00 51.96  ? 120 ILE A N   1 
ATOM   838  C  CA  . ILE A 1 110 ? 19.302 16.869 4.326   1.00 49.41  ? 120 ILE A CA  1 
ATOM   839  C  C   . ILE A 1 110 ? 20.272 17.393 5.368   1.00 48.40  ? 120 ILE A C   1 
ATOM   840  O  O   . ILE A 1 110 ? 21.437 17.006 5.360   1.00 51.23  ? 120 ILE A O   1 
ATOM   841  C  CB  . ILE A 1 110 ? 18.821 15.439 4.620   1.00 53.39  ? 120 ILE A CB  1 
ATOM   842  C  CG1 . ILE A 1 110 ? 17.608 15.093 3.753   1.00 54.21  ? 120 ILE A CG1 1 
ATOM   843  C  CG2 . ILE A 1 110 ? 18.539 15.247 6.101   1.00 52.07  ? 120 ILE A CG2 1 
ATOM   844  C  CD1 . ILE A 1 110 ? 17.353 13.618 3.625   1.00 54.66  ? 120 ILE A CD1 1 
ATOM   845  N  N   . GLY A 1 111 ? 19.771 18.299 6.217   1.00 49.46  ? 121 GLY A N   1 
ATOM   846  C  CA  . GLY A 1 111 ? 20.541 18.895 7.296   1.00 46.22  ? 121 GLY A CA  1 
ATOM   847  C  C   . GLY A 1 111 ? 19.921 18.538 8.643   1.00 46.57  ? 121 GLY A C   1 
ATOM   848  O  O   . GLY A 1 111 ? 18.703 18.396 8.735   1.00 44.63  ? 121 GLY A O   1 
ATOM   849  N  N   . VAL A 1 112 ? 20.765 18.343 9.664   1.00 46.52  ? 122 VAL A N   1 
ATOM   850  C  CA  . VAL A 1 112 ? 20.296 18.176 11.032  1.00 46.73  ? 122 VAL A CA  1 
ATOM   851  C  C   . VAL A 1 112 ? 21.123 19.077 11.940  1.00 49.45  ? 122 VAL A C   1 
ATOM   852  O  O   . VAL A 1 112 ? 22.351 19.020 11.902  1.00 51.01  ? 122 VAL A O   1 
ATOM   853  C  CB  . VAL A 1 112 ? 20.360 16.711 11.501  1.00 45.65  ? 122 VAL A CB  1 
ATOM   854  C  CG1 . VAL A 1 112 ? 20.023 16.586 12.979  1.00 46.67  ? 122 VAL A CG1 1 
ATOM   855  C  CG2 . VAL A 1 112 ? 19.453 15.816 10.676  1.00 45.19  ? 122 VAL A CG2 1 
ATOM   856  N  N   . THR A 1 113 ? 20.428 19.882 12.761  1.00 55.38  ? 123 THR A N   1 
ATOM   857  C  CA  . THR A 1 113 ? 21.045 21.007 13.449  1.00 56.72  ? 123 THR A CA  1 
ATOM   858  C  C   . THR A 1 113 ? 20.678 20.988 14.928  1.00 56.45  ? 123 THR A C   1 
ATOM   859  O  O   . THR A 1 113 ? 19.581 20.575 15.296  1.00 58.53  ? 123 THR A O   1 
ATOM   860  C  CB  . THR A 1 113 ? 20.675 22.335 12.769  1.00 57.31  ? 123 THR A CB  1 
ATOM   861  O  OG1 . THR A 1 113 ? 21.512 23.357 13.316  1.00 56.73  ? 123 THR A OG1 1 
ATOM   862  C  CG2 . THR A 1 113 ? 19.220 22.717 12.921  1.00 58.96  ? 123 THR A CG2 1 
ATOM   863  N  N   . ARG A 1 114 ? 21.627 21.440 15.757  1.00 56.23  ? 124 ARG A N   1 
ATOM   864  C  CA  . ARG A 1 114 ? 21.401 21.650 17.176  1.00 61.23  ? 124 ARG A CA  1 
ATOM   865  C  C   . ARG A 1 114 ? 21.332 23.141 17.488  1.00 62.10  ? 124 ARG A C   1 
ATOM   866  O  O   . ARG A 1 114 ? 21.240 23.518 18.651  1.00 67.63  ? 124 ARG A O   1 
ATOM   867  C  CB  . ARG A 1 114 ? 22.535 21.000 17.965  1.00 62.28  ? 124 ARG A CB  1 
ATOM   868  C  CG  . ARG A 1 114 ? 22.648 19.503 17.726  1.00 63.55  ? 124 ARG A CG  1 
ATOM   869  C  CD  . ARG A 1 114 ? 24.071 19.002 17.850  1.00 62.65  ? 124 ARG A CD  1 
ATOM   870  N  NE  . ARG A 1 114 ? 24.813 19.030 16.598  1.00 60.99  ? 124 ARG A NE  1 
ATOM   871  C  CZ  . ARG A 1 114 ? 26.113 18.791 16.508  1.00 59.51  ? 124 ARG A CZ  1 
ATOM   872  N  NH1 . ARG A 1 114 ? 26.798 18.448 17.589  1.00 57.70  ? 124 ARG A NH1 1 
ATOM   873  N  NH2 . ARG A 1 114 ? 26.726 18.905 15.343  1.00 59.72  ? 124 ARG A NH2 1 
ATOM   874  N  N   . ARG A 1 115 ? 21.415 23.971 16.441  1.00 67.72  ? 125 ARG A N   1 
ATOM   875  C  CA  . ARG A 1 115 ? 21.226 25.407 16.547  1.00 66.61  ? 125 ARG A CA  1 
ATOM   876  C  C   . ARG A 1 115 ? 19.883 25.731 15.900  1.00 66.91  ? 125 ARG A C   1 
ATOM   877  O  O   . ARG A 1 115 ? 19.075 24.835 15.684  1.00 64.19  ? 125 ARG A O   1 
ATOM   878  C  CB  . ARG A 1 115 ? 22.405 26.135 15.893  1.00 67.63  ? 125 ARG A CB  1 
ATOM   879  N  N   . GLU A 1 116 ? 19.637 27.008 15.600  1.00 72.35  ? 126 GLU A N   1 
ATOM   880  C  CA  . GLU A 1 116 ? 18.396 27.400 14.952  1.00 74.55  ? 126 GLU A CA  1 
ATOM   881  C  C   . GLU A 1 116 ? 18.472 26.943 13.493  1.00 69.13  ? 126 GLU A C   1 
ATOM   882  O  O   . GLU A 1 116 ? 19.563 26.852 12.933  1.00 69.10  ? 126 GLU A O   1 
ATOM   883  C  CB  . GLU A 1 116 ? 18.178 28.905 15.147  1.00 78.92  ? 126 GLU A CB  1 
ATOM   884  C  CG  . GLU A 1 116 ? 16.717 29.331 15.161  1.00 81.54  ? 126 GLU A CG  1 
ATOM   885  C  CD  . GLU A 1 116 ? 16.101 29.653 13.808  1.00 84.09  ? 126 GLU A CD  1 
ATOM   886  O  OE1 . GLU A 1 116 ? 16.860 29.787 12.831  1.00 81.24  ? 126 GLU A OE1 1 
ATOM   887  O  OE2 . GLU A 1 116 ? 14.859 29.772 13.734  1.00 86.99  ? 126 GLU A OE2 1 
ATOM   888  N  N   . VAL A 1 117 ? 17.314 26.644 12.890  1.00 65.58  ? 127 VAL A N   1 
ATOM   889  C  CA  . VAL A 1 117 ? 17.255 25.961 11.601  1.00 69.84  ? 127 VAL A CA  1 
ATOM   890  C  C   . VAL A 1 117 ? 17.534 26.915 10.441  1.00 71.86  ? 127 VAL A C   1 
ATOM   891  O  O   . VAL A 1 117 ? 18.062 26.486 9.415   1.00 74.46  ? 127 VAL A O   1 
ATOM   892  C  CB  . VAL A 1 117 ? 15.907 25.247 11.370  1.00 69.87  ? 127 VAL A CB  1 
ATOM   893  C  CG1 . VAL A 1 117 ? 15.725 24.065 12.306  1.00 68.09  ? 127 VAL A CG1 1 
ATOM   894  C  CG2 . VAL A 1 117 ? 14.720 26.198 11.454  1.00 71.24  ? 127 VAL A CG2 1 
ATOM   895  N  N   . HIS A 1 118 ? 17.133 28.186 10.575  1.00 73.19  ? 128 HIS A N   1 
ATOM   896  C  CA  . HIS A 1 118 ? 17.334 29.156 9.510   1.00 70.84  ? 128 HIS A CA  1 
ATOM   897  C  C   . HIS A 1 118 ? 18.828 29.301 9.245   1.00 67.93  ? 128 HIS A C   1 
ATOM   898  O  O   . HIS A 1 118 ? 19.239 29.486 8.104   1.00 74.12  ? 128 HIS A O   1 
ATOM   899  C  CB  . HIS A 1 118 ? 16.674 30.504 9.826   1.00 71.84  ? 128 HIS A CB  1 
ATOM   900  C  CG  . HIS A 1 118 ? 15.185 30.435 9.909   1.00 79.02  ? 128 HIS A CG  1 
ATOM   901  N  ND1 . HIS A 1 118 ? 14.509 29.859 10.964  1.00 82.70  ? 128 HIS A ND1 1 
ATOM   902  C  CD2 . HIS A 1 118 ? 14.239 30.875 9.063   1.00 86.85  ? 128 HIS A CD2 1 
ATOM   903  C  CE1 . HIS A 1 118 ? 13.201 29.946 10.750  1.00 84.22  ? 128 HIS A CE1 1 
ATOM   904  N  NE2 . HIS A 1 118 ? 13.013 30.559 9.600   1.00 85.25  ? 128 HIS A NE2 1 
ATOM   905  N  N   . ILE A 1 119 ? 19.634 29.173 10.301  1.00 63.61  ? 129 ILE A N   1 
ATOM   906  C  CA  . ILE A 1 119 ? 21.067 29.386 10.190  1.00 63.30  ? 129 ILE A CA  1 
ATOM   907  C  C   . ILE A 1 119 ? 21.689 28.261 9.365   1.00 63.10  ? 129 ILE A C   1 
ATOM   908  O  O   . ILE A 1 119 ? 22.522 28.518 8.499   1.00 65.21  ? 129 ILE A O   1 
ATOM   909  C  CB  . ILE A 1 119 ? 21.710 29.509 11.585  1.00 65.70  ? 129 ILE A CB  1 
ATOM   910  C  CG1 . ILE A 1 119 ? 20.849 30.358 12.529  1.00 68.07  ? 129 ILE A CG1 1 
ATOM   911  C  CG2 . ILE A 1 119 ? 23.133 30.038 11.460  1.00 65.61  ? 129 ILE A CG2 1 
ATOM   912  C  CD1 . ILE A 1 119 ? 21.488 30.678 13.866  1.00 68.66  ? 129 ILE A CD1 1 
ATOM   913  N  N   . TYR A 1 120 ? 21.274 27.015 9.634   1.00 65.20  ? 130 TYR A N   1 
ATOM   914  C  CA  . TYR A 1 120 ? 21.844 25.849 8.972   1.00 68.58  ? 130 TYR A CA  1 
ATOM   915  C  C   . TYR A 1 120 ? 21.358 25.801 7.524   1.00 65.50  ? 130 TYR A C   1 
ATOM   916  O  O   . TYR A 1 120 ? 22.057 25.288 6.654   1.00 71.19  ? 130 TYR A O   1 
ATOM   917  C  CB  . TYR A 1 120 ? 21.496 24.565 9.739   1.00 71.13  ? 130 TYR A CB  1 
ATOM   918  C  CG  . TYR A 1 120 ? 22.474 23.405 9.585   1.00 70.82  ? 130 TYR A CG  1 
ATOM   919  C  CD1 . TYR A 1 120 ? 23.756 23.459 10.120  1.00 74.03  ? 130 TYR A CD1 1 
ATOM   920  C  CD2 . TYR A 1 120 ? 22.106 22.240 8.922   1.00 75.87  ? 130 TYR A CD2 1 
ATOM   921  C  CE1 . TYR A 1 120 ? 24.644 22.400 9.985   1.00 80.81  ? 130 TYR A CE1 1 
ATOM   922  C  CE2 . TYR A 1 120 ? 22.981 21.173 8.784   1.00 77.89  ? 130 TYR A CE2 1 
ATOM   923  C  CZ  . TYR A 1 120 ? 24.255 21.250 9.317   1.00 78.99  ? 130 TYR A CZ  1 
ATOM   924  O  OH  . TYR A 1 120 ? 25.112 20.195 9.168   1.00 74.09  ? 130 TYR A OH  1 
ATOM   925  N  N   . TYR A 1 121 ? 20.164 26.352 7.275   1.00 64.71  ? 131 TYR A N   1 
ATOM   926  C  CA  . TYR A 1 121 ? 19.593 26.363 5.940   1.00 63.59  ? 131 TYR A CA  1 
ATOM   927  C  C   . TYR A 1 121 ? 20.472 27.168 4.982   1.00 66.32  ? 131 TYR A C   1 
ATOM   928  O  O   . TYR A 1 121 ? 20.592 26.802 3.817   1.00 73.51  ? 131 TYR A O   1 
ATOM   929  C  CB  . TYR A 1 121 ? 18.160 26.900 5.933   1.00 62.30  ? 131 TYR A CB  1 
ATOM   930  C  CG  . TYR A 1 121 ? 17.548 26.864 4.540   1.00 63.30  ? 131 TYR A CG  1 
ATOM   931  C  CD1 . TYR A 1 121 ? 17.861 27.833 3.592   1.00 64.60  ? 131 TYR A CD1 1 
ATOM   932  C  CD2 . TYR A 1 121 ? 16.706 25.830 4.149   1.00 61.37  ? 131 TYR A CD2 1 
ATOM   933  C  CE1 . TYR A 1 121 ? 17.333 27.795 2.311   1.00 65.00  ? 131 TYR A CE1 1 
ATOM   934  C  CE2 . TYR A 1 121 ? 16.170 25.782 2.870   1.00 66.61  ? 131 TYR A CE2 1 
ATOM   935  C  CZ  . TYR A 1 121 ? 16.485 26.765 1.945   1.00 65.89  ? 131 TYR A CZ  1 
ATOM   936  O  OH  . TYR A 1 121 ? 15.970 26.727 0.677   1.00 61.38  ? 131 TYR A OH  1 
ATOM   937  N  N   . LEU A 1 122 ? 21.082 28.263 5.450   1.00 65.95  ? 132 LEU A N   1 
ATOM   938  C  CA  . LEU A 1 122 ? 21.899 29.082 4.568   1.00 69.68  ? 132 LEU A CA  1 
ATOM   939  C  C   . LEU A 1 122 ? 23.252 28.430 4.307   1.00 76.52  ? 132 LEU A C   1 
ATOM   940  O  O   . LEU A 1 122 ? 23.661 28.328 3.151   1.00 83.93  ? 132 LEU A O   1 
ATOM   941  C  CB  . LEU A 1 122 ? 22.071 30.482 5.154   1.00 76.06  ? 132 LEU A CB  1 
ATOM   942  C  CG  . LEU A 1 122 ? 20.980 31.465 4.744   1.00 77.14  ? 132 LEU A CG  1 
ATOM   943  C  CD1 . LEU A 1 122 ? 19.718 31.201 5.531   1.00 78.45  ? 132 LEU A CD1 1 
ATOM   944  C  CD2 . LEU A 1 122 ? 21.432 32.896 4.922   1.00 79.01  ? 132 LEU A CD2 1 
ATOM   945  N  N   . GLU A 1 123 ? 23.942 27.999 5.371   1.00 76.70  ? 133 GLU A N   1 
ATOM   946  C  CA  . GLU A 1 123 ? 25.268 27.413 5.222   1.00 76.07  ? 133 GLU A CA  1 
ATOM   947  C  C   . GLU A 1 123 ? 25.226 26.305 4.177   1.00 70.57  ? 133 GLU A C   1 
ATOM   948  O  O   . GLU A 1 123 ? 26.176 26.144 3.417   1.00 73.68  ? 133 GLU A O   1 
ATOM   949  C  CB  . GLU A 1 123 ? 25.788 26.819 6.530   1.00 82.09  ? 133 GLU A CB  1 
ATOM   950  C  CG  . GLU A 1 123 ? 25.994 27.836 7.636   1.00 85.31  ? 133 GLU A CG  1 
ATOM   951  C  CD  . GLU A 1 123 ? 26.014 27.227 9.027   1.00 92.34  ? 133 GLU A CD  1 
ATOM   952  O  OE1 . GLU A 1 123 ? 25.912 27.996 10.003  1.00 100.97 ? 133 GLU A OE1 1 
ATOM   953  O  OE2 . GLU A 1 123 ? 26.129 25.984 9.133   1.00 93.40  ? 133 GLU A OE2 1 
ATOM   954  N  N   . LYS A 1 124 ? 24.127 25.542 4.166   1.00 66.74  ? 134 LYS A N   1 
ATOM   955  C  CA  . LYS A 1 124 ? 23.948 24.478 3.193   1.00 70.43  ? 134 LYS A CA  1 
ATOM   956  C  C   . LYS A 1 124 ? 23.799 25.096 1.806   1.00 71.28  ? 134 LYS A C   1 
ATOM   957  O  O   . LYS A 1 124 ? 24.565 24.780 0.898   1.00 76.11  ? 134 LYS A O   1 
ATOM   958  C  CB  . LYS A 1 124 ? 22.752 23.592 3.564   1.00 68.58  ? 134 LYS A CB  1 
ATOM   959  C  CG  . LYS A 1 124 ? 23.051 22.468 4.548   1.00 68.05  ? 134 LYS A CG  1 
ATOM   960  C  CD  . LYS A 1 124 ? 23.916 21.373 3.958   1.00 68.48  ? 134 LYS A CD  1 
ATOM   961  C  CE  . LYS A 1 124 ? 24.099 20.182 4.872   1.00 68.46  ? 134 LYS A CE  1 
ATOM   962  N  NZ  . LYS A 1 124 ? 24.989 20.499 6.012   1.00 70.44  ? 134 LYS A NZ  1 
ATOM   963  N  N   . ALA A 1 125 ? 22.828 26.006 1.670   1.00 71.62  ? 135 ALA A N   1 
ATOM   964  C  CA  . ALA A 1 125 ? 22.572 26.703 0.418   1.00 74.97  ? 135 ALA A CA  1 
ATOM   965  C  C   . ALA A 1 125 ? 23.848 27.329 -0.150  1.00 80.64  ? 135 ALA A C   1 
ATOM   966  O  O   . ALA A 1 125 ? 23.976 27.447 -1.368  1.00 83.20  ? 135 ALA A O   1 
ATOM   967  C  CB  . ALA A 1 125 ? 21.505 27.746 0.634   1.00 70.24  ? 135 ALA A CB  1 
ATOM   968  N  N   . ASN A 1 126 ? 24.779 27.730 0.731   1.00 82.18  ? 136 ASN A N   1 
ATOM   969  C  CA  . ASN A 1 126 ? 26.022 28.370 0.322   1.00 84.26  ? 136 ASN A CA  1 
ATOM   970  C  C   . ASN A 1 126 ? 27.091 27.330 -0.012  1.00 87.89  ? 136 ASN A C   1 
ATOM   971  O  O   . ASN A 1 126 ? 27.819 27.505 -0.985  1.00 89.51  ? 136 ASN A O   1 
ATOM   972  C  CB  . ASN A 1 126 ? 26.545 29.331 1.392   1.00 85.57  ? 136 ASN A CB  1 
ATOM   973  C  CG  . ASN A 1 126 ? 25.533 30.389 1.782   1.00 88.67  ? 136 ASN A CG  1 
ATOM   974  O  OD1 . ASN A 1 126 ? 24.483 30.514 1.155   1.00 90.81  ? 136 ASN A OD1 1 
ATOM   975  N  ND2 . ASN A 1 126 ? 25.833 31.148 2.825   1.00 85.00  ? 136 ASN A ND2 1 
ATOM   976  N  N   . LYS A 1 127 ? 27.205 26.267 0.799   1.00 93.29  ? 137 LYS A N   1 
ATOM   977  C  CA  . LYS A 1 127 ? 28.219 25.244 0.577   1.00 97.75  ? 137 LYS A CA  1 
ATOM   978  C  C   . LYS A 1 127 ? 27.812 24.394 -0.621  1.00 102.56 ? 137 LYS A C   1 
ATOM   979  O  O   . LYS A 1 127 ? 28.500 24.388 -1.642  1.00 104.91 ? 137 LYS A O   1 
ATOM   980  C  CB  . LYS A 1 127 ? 28.424 24.370 1.819   1.00 95.94  ? 137 LYS A CB  1 
ATOM   981  N  N   . ILE A 1 128 ? 26.675 23.700 -0.493  1.00 103.48 ? 138 ILE A N   1 
ATOM   982  C  CA  . ILE A 1 128 ? 26.122 22.953 -1.609  1.00 100.56 ? 138 ILE A CA  1 
ATOM   983  C  C   . ILE A 1 128 ? 26.091 23.878 -2.823  1.00 98.58  ? 138 ILE A C   1 
ATOM   984  O  O   . ILE A 1 128 ? 26.150 23.403 -3.960  1.00 99.70  ? 138 ILE A O   1 
ATOM   985  C  CB  . ILE A 1 128 ? 24.724 22.394 -1.271  1.00 94.41  ? 138 ILE A CB  1 
ATOM   986  N  N   . LYS A 1 129 ? 26.020 25.195 -2.577  1.00 93.14  ? 139 LYS A N   1 
ATOM   987  C  CA  . LYS A 1 129 ? 25.837 26.135 -3.667  1.00 98.47  ? 139 LYS A CA  1 
ATOM   988  C  C   . LYS A 1 129 ? 24.758 25.538 -4.566  1.00 104.59 ? 139 LYS A C   1 
ATOM   989  O  O   . LYS A 1 129 ? 24.920 25.476 -5.784  1.00 106.15 ? 139 LYS A O   1 
ATOM   990  C  CB  . LYS A 1 129 ? 27.156 26.368 -4.413  1.00 99.20  ? 139 LYS A CB  1 
ATOM   991  N  N   . SER A 1 130 ? 23.681 25.055 -3.932  1.00 111.33 ? 140 SER A N   1 
ATOM   992  C  CA  . SER A 1 130 ? 22.655 24.281 -4.618  1.00 115.09 ? 140 SER A CA  1 
ATOM   993  C  C   . SER A 1 130 ? 22.130 25.035 -5.841  1.00 109.46 ? 140 SER A C   1 
ATOM   994  O  O   . SER A 1 130 ? 21.691 26.178 -5.724  1.00 104.34 ? 140 SER A O   1 
ATOM   995  C  CB  . SER A 1 130 ? 21.533 23.935 -3.670  1.00 117.78 ? 140 SER A CB  1 
ATOM   996  N  N   . GLU A 1 131 ? 22.176 24.388 -7.012  1.00 102.02 ? 141 GLU A N   1 
ATOM   997  C  CA  . GLU A 1 131 ? 21.562 24.950 -8.203  1.00 98.97  ? 141 GLU A CA  1 
ATOM   998  C  C   . GLU A 1 131 ? 20.081 24.585 -8.176  1.00 93.23  ? 141 GLU A C   1 
ATOM   999  O  O   . GLU A 1 131 ? 19.229 25.445 -7.948  1.00 90.93  ? 141 GLU A O   1 
ATOM   1000 C  CB  . GLU A 1 131 ? 22.256 24.431 -9.466  1.00 101.47 ? 141 GLU A CB  1 
ATOM   1001 N  N   . LYS A 1 132 ? 19.800 23.290 -8.366  1.00 84.46  ? 142 LYS A N   1 
ATOM   1002 C  CA  . LYS A 1 132 ? 18.438 22.783 -8.382  1.00 78.01  ? 142 LYS A CA  1 
ATOM   1003 C  C   . LYS A 1 132 ? 18.211 21.845 -7.200  1.00 70.72  ? 142 LYS A C   1 
ATOM   1004 O  O   . LYS A 1 132 ? 17.132 21.273 -7.086  1.00 74.51  ? 142 LYS A O   1 
ATOM   1005 C  CB  . LYS A 1 132 ? 18.172 22.042 -9.696  1.00 75.41  ? 142 LYS A CB  1 
ATOM   1006 N  N   . THR A 1 133 ? 19.220 21.690 -6.330  1.00 68.15  ? 143 THR A N   1 
ATOM   1007 C  CA  . THR A 1 133 ? 19.146 20.733 -5.233  1.00 66.50  ? 143 THR A CA  1 
ATOM   1008 C  C   . THR A 1 133 ? 18.187 21.250 -4.163  1.00 63.29  ? 143 THR A C   1 
ATOM   1009 O  O   . THR A 1 133 ? 18.265 22.410 -3.775  1.00 60.65  ? 143 THR A O   1 
ATOM   1010 C  CB  . THR A 1 133 ? 20.526 20.450 -4.621  1.00 67.32  ? 143 THR A CB  1 
ATOM   1011 O  OG1 . THR A 1 133 ? 21.438 20.139 -5.676  1.00 71.89  ? 143 THR A OG1 1 
ATOM   1012 C  CG2 . THR A 1 133 ? 20.498 19.320 -3.615  1.00 64.71  ? 143 THR A CG2 1 
ATOM   1013 N  N   . HIS A 1 134 ? 17.291 20.370 -3.702  1.00 62.89  ? 144 HIS A N   1 
ATOM   1014 C  CA  . HIS A 1 134 ? 16.343 20.692 -2.648  1.00 62.94  ? 144 HIS A CA  1 
ATOM   1015 C  C   . HIS A 1 134 ? 17.041 20.529 -1.302  1.00 62.78  ? 144 HIS A C   1 
ATOM   1016 O  O   . HIS A 1 134 ? 17.748 19.550 -1.090  1.00 68.35  ? 144 HIS A O   1 
ATOM   1017 C  CB  . HIS A 1 134 ? 15.129 19.760 -2.723  1.00 64.87  ? 144 HIS A CB  1 
ATOM   1018 C  CG  . HIS A 1 134 ? 13.830 20.353 -2.274  1.00 72.26  ? 144 HIS A CG  1 
ATOM   1019 N  ND1 . HIS A 1 134 ? 13.188 21.373 -2.945  1.00 74.47  ? 144 HIS A ND1 1 
ATOM   1020 C  CD2 . HIS A 1 134 ? 13.025 20.021 -1.251  1.00 74.38  ? 144 HIS A CD2 1 
ATOM   1021 C  CE1 . HIS A 1 134 ? 12.049 21.660 -2.323  1.00 72.33  ? 144 HIS A CE1 1 
ATOM   1022 N  NE2 . HIS A 1 134 ? 11.929 20.850 -1.290  1.00 74.48  ? 144 HIS A NE2 1 
ATOM   1023 N  N   . ILE A 1 135 ? 16.832 21.492 -0.402  1.00 61.25  ? 145 ILE A N   1 
ATOM   1024 C  CA  . ILE A 1 135 ? 17.393 21.449 0.937   1.00 59.40  ? 145 ILE A CA  1 
ATOM   1025 C  C   . ILE A 1 135 ? 16.246 21.287 1.933   1.00 60.13  ? 145 ILE A C   1 
ATOM   1026 O  O   . ILE A 1 135 ? 15.150 21.789 1.705   1.00 64.93  ? 145 ILE A O   1 
ATOM   1027 C  CB  . ILE A 1 135 ? 18.228 22.718 1.199   1.00 62.75  ? 145 ILE A CB  1 
ATOM   1028 C  CG1 . ILE A 1 135 ? 19.377 22.852 0.195   1.00 63.60  ? 145 ILE A CG1 1 
ATOM   1029 C  CG2 . ILE A 1 135 ? 18.730 22.755 2.634   1.00 63.28  ? 145 ILE A CG2 1 
ATOM   1030 C  CD1 . ILE A 1 135 ? 20.057 24.205 0.206   1.00 64.51  ? 145 ILE A CD1 1 
ATOM   1031 N  N   . HIS A 1 136 ? 16.503 20.570 3.032   1.00 58.17  ? 146 HIS A N   1 
ATOM   1032 C  CA  . HIS A 1 136 ? 15.491 20.264 4.030   1.00 52.23  ? 146 HIS A CA  1 
ATOM   1033 C  C   . HIS A 1 136 ? 16.186 20.082 5.377   1.00 53.27  ? 146 HIS A C   1 
ATOM   1034 O  O   . HIS A 1 136 ? 16.961 19.143 5.545   1.00 55.93  ? 146 HIS A O   1 
ATOM   1035 C  CB  . HIS A 1 136 ? 14.714 19.005 3.627   1.00 51.07  ? 146 HIS A CB  1 
ATOM   1036 C  CG  . HIS A 1 136 ? 13.441 18.772 4.380   1.00 54.86  ? 146 HIS A CG  1 
ATOM   1037 N  ND1 . HIS A 1 136 ? 12.313 18.249 3.783   1.00 58.07  ? 146 HIS A ND1 1 
ATOM   1038 C  CD2 . HIS A 1 136 ? 13.119 18.957 5.673   1.00 54.97  ? 146 HIS A CD2 1 
ATOM   1039 C  CE1 . HIS A 1 136 ? 11.349 18.136 4.688   1.00 56.90  ? 146 HIS A CE1 1 
ATOM   1040 N  NE2 . HIS A 1 136 ? 11.817 18.562 5.842   1.00 54.13  ? 146 HIS A NE2 1 
ATOM   1041 N  N   . ILE A 1 137 ? 15.925 20.996 6.324   1.00 53.48  ? 147 ILE A N   1 
ATOM   1042 C  CA  . ILE A 1 137 ? 16.599 20.983 7.618   1.00 54.15  ? 147 ILE A CA  1 
ATOM   1043 C  C   . ILE A 1 137 ? 15.653 20.401 8.667   1.00 53.55  ? 147 ILE A C   1 
ATOM   1044 O  O   . ILE A 1 137 ? 14.437 20.484 8.507   1.00 53.78  ? 147 ILE A O   1 
ATOM   1045 C  CB  . ILE A 1 137 ? 17.077 22.396 8.016   1.00 55.06  ? 147 ILE A CB  1 
ATOM   1046 C  CG1 . ILE A 1 137 ? 17.876 23.070 6.895   1.00 58.10  ? 147 ILE A CG1 1 
ATOM   1047 C  CG2 . ILE A 1 137 ? 17.862 22.367 9.323   1.00 54.25  ? 147 ILE A CG2 1 
ATOM   1048 C  CD1 . ILE A 1 137 ? 19.104 22.304 6.457   1.00 59.92  ? 147 ILE A CD1 1 
ATOM   1049 N  N   . PHE A 1 138 ? 16.241 19.799 9.716   1.00 50.33  ? 148 PHE A N   1 
ATOM   1050 C  CA  . PHE A 1 138 ? 15.532 19.358 10.909  1.00 48.04  ? 148 PHE A CA  1 
ATOM   1051 C  C   . PHE A 1 138 ? 16.294 19.807 12.155  1.00 47.40  ? 148 PHE A C   1 
ATOM   1052 O  O   . PHE A 1 138 ? 17.505 19.977 12.117  1.00 49.46  ? 148 PHE A O   1 
ATOM   1053 C  CB  . PHE A 1 138 ? 15.366 17.835 10.922  1.00 50.83  ? 148 PHE A CB  1 
ATOM   1054 C  CG  . PHE A 1 138 ? 14.390 17.280 9.914   1.00 54.56  ? 148 PHE A CG  1 
ATOM   1055 C  CD1 . PHE A 1 138 ? 13.039 17.186 10.207  1.00 57.60  ? 148 PHE A CD1 1 
ATOM   1056 C  CD2 . PHE A 1 138 ? 14.819 16.864 8.663   1.00 55.93  ? 148 PHE A CD2 1 
ATOM   1057 C  CE1 . PHE A 1 138 ? 12.146 16.672 9.277   1.00 56.70  ? 148 PHE A CE1 1 
ATOM   1058 C  CE2 . PHE A 1 138 ? 13.923 16.362 7.730   1.00 55.36  ? 148 PHE A CE2 1 
ATOM   1059 C  CZ  . PHE A 1 138 ? 12.588 16.265 8.040   1.00 55.53  ? 148 PHE A CZ  1 
ATOM   1060 N  N   . SER A 1 139 ? 15.563 20.002 13.258  1.00 53.62  ? 149 SER A N   1 
ATOM   1061 C  CA  . SER A 1 139 ? 16.149 20.273 14.560  1.00 54.33  ? 149 SER A CA  1 
ATOM   1062 C  C   . SER A 1 139 ? 15.755 19.175 15.544  1.00 55.30  ? 149 SER A C   1 
ATOM   1063 O  O   . SER A 1 139 ? 14.948 18.304 15.236  1.00 55.79  ? 149 SER A O   1 
ATOM   1064 C  CB  . SER A 1 139 ? 15.707 21.606 15.074  1.00 53.98  ? 149 SER A CB  1 
ATOM   1065 O  OG  . SER A 1 139 ? 14.410 21.506 15.637  1.00 54.34  ? 149 SER A OG  1 
ATOM   1066 N  N   . PHE A 1 140 ? 16.312 19.254 16.753  1.00 58.96  ? 150 PHE A N   1 
ATOM   1067 C  CA  . PHE A 1 140 ? 15.955 18.334 17.817  1.00 59.86  ? 150 PHE A CA  1 
ATOM   1068 C  C   . PHE A 1 140 ? 14.818 18.912 18.662  1.00 65.98  ? 150 PHE A C   1 
ATOM   1069 O  O   . PHE A 1 140 ? 14.466 18.339 19.691  1.00 66.03  ? 150 PHE A O   1 
ATOM   1070 C  CB  . PHE A 1 140 ? 17.168 18.045 18.702  1.00 54.21  ? 150 PHE A CB  1 
ATOM   1071 C  CG  . PHE A 1 140 ? 18.322 17.353 18.025  1.00 49.94  ? 150 PHE A CG  1 
ATOM   1072 C  CD1 . PHE A 1 140 ? 19.157 18.038 17.158  1.00 52.49  ? 150 PHE A CD1 1 
ATOM   1073 C  CD2 . PHE A 1 140 ? 18.593 16.019 18.282  1.00 50.34  ? 150 PHE A CD2 1 
ATOM   1074 C  CE1 . PHE A 1 140 ? 20.229 17.401 16.551  1.00 48.57  ? 150 PHE A CE1 1 
ATOM   1075 C  CE2 . PHE A 1 140 ? 19.662 15.381 17.673  1.00 48.49  ? 150 PHE A CE2 1 
ATOM   1076 C  CZ  . PHE A 1 140 ? 20.478 16.075 16.809  1.00 47.85  ? 150 PHE A CZ  1 
ATOM   1077 N  N   . THR A 1 141 ? 14.260 20.052 18.235  1.00 67.74  ? 151 THR A N   1 
ATOM   1078 C  CA  . THR A 1 141 ? 13.224 20.727 18.999  1.00 72.31  ? 151 THR A CA  1 
ATOM   1079 C  C   . THR A 1 141 ? 11.898 20.695 18.246  1.00 75.39  ? 151 THR A C   1 
ATOM   1080 O  O   . THR A 1 141 ? 10.898 21.191 18.761  1.00 88.43  ? 151 THR A O   1 
ATOM   1081 C  CB  . THR A 1 141 ? 13.635 22.168 19.328  1.00 74.01  ? 151 THR A CB  1 
ATOM   1082 O  OG1 . THR A 1 141 ? 13.794 22.883 18.101  1.00 69.58  ? 151 THR A OG1 1 
ATOM   1083 C  CG2 . THR A 1 141 ? 14.908 22.236 20.147  1.00 74.38  ? 151 THR A CG2 1 
ATOM   1084 N  N   . GLY A 1 142 ? 11.900 20.111 17.038  1.00 74.79  ? 152 GLY A N   1 
ATOM   1085 C  CA  . GLY A 1 142 ? 10.697 19.986 16.225  1.00 74.25  ? 152 GLY A CA  1 
ATOM   1086 C  C   . GLY A 1 142 ? 10.655 20.960 15.046  1.00 72.33  ? 152 GLY A C   1 
ATOM   1087 O  O   . GLY A 1 142 ? 9.721  20.920 14.248  1.00 73.81  ? 152 GLY A O   1 
ATOM   1088 N  N   . GLU A 1 143 ? 11.665 21.831 14.933  1.00 77.28  ? 153 GLU A N   1 
ATOM   1089 C  CA  . GLU A 1 143 ? 11.746 22.786 13.836  1.00 80.47  ? 153 GLU A CA  1 
ATOM   1090 C  C   . GLU A 1 143 ? 12.091 22.044 12.543  1.00 71.93  ? 153 GLU A C   1 
ATOM   1091 O  O   . GLU A 1 143 ? 12.934 21.150 12.544  1.00 62.92  ? 153 GLU A O   1 
ATOM   1092 C  CB  . GLU A 1 143 ? 12.820 23.851 14.103  1.00 90.94  ? 153 GLU A CB  1 
ATOM   1093 C  CG  . GLU A 1 143 ? 12.668 24.626 15.408  1.00 96.41  ? 153 GLU A CG  1 
ATOM   1094 C  CD  . GLU A 1 143 ? 13.934 25.333 15.873  1.00 105.11 ? 153 GLU A CD  1 
ATOM   1095 O  OE1 . GLU A 1 143 ? 14.473 24.942 16.930  1.00 110.20 ? 153 GLU A OE1 1 
ATOM   1096 O  OE2 . GLU A 1 143 ? 14.383 26.275 15.182  1.00 106.03 ? 153 GLU A OE2 1 
ATOM   1097 N  N   . GLU A 1 144 ? 11.439 22.417 11.436  1.00 67.64  ? 154 GLU A N   1 
ATOM   1098 C  CA  . GLU A 1 144 ? 11.876 21.975 10.121  1.00 68.12  ? 154 GLU A CA  1 
ATOM   1099 C  C   . GLU A 1 144 ? 11.691 23.110 9.117   1.00 66.69  ? 154 GLU A C   1 
ATOM   1100 O  O   . GLU A 1 144 ? 10.918 24.033 9.348   1.00 73.41  ? 154 GLU A O   1 
ATOM   1101 C  CB  . GLU A 1 144 ? 11.151 20.699 9.683   1.00 70.43  ? 154 GLU A CB  1 
ATOM   1102 C  CG  . GLU A 1 144 ? 9.646  20.834 9.534   1.00 74.51  ? 154 GLU A CG  1 
ATOM   1103 C  CD  . GLU A 1 144 ? 8.982  19.669 8.817   1.00 74.27  ? 154 GLU A CD  1 
ATOM   1104 O  OE1 . GLU A 1 144 ? 7.741  19.678 8.683   1.00 79.31  ? 154 GLU A OE1 1 
ATOM   1105 O  OE2 . GLU A 1 144 ? 9.705  18.757 8.392   1.00 68.71  ? 154 GLU A OE2 1 
ATOM   1106 N  N   . MET A 1 145 ? 12.408 23.024 7.996   1.00 67.90  ? 155 MET A N   1 
ATOM   1107 C  CA  . MET A 1 145 ? 12.424 24.092 7.014   1.00 67.20  ? 155 MET A CA  1 
ATOM   1108 C  C   . MET A 1 145 ? 12.988 23.567 5.694   1.00 66.57  ? 155 MET A C   1 
ATOM   1109 O  O   . MET A 1 145 ? 14.049 22.949 5.677   1.00 69.10  ? 155 MET A O   1 
ATOM   1110 C  CB  . MET A 1 145 ? 13.281 25.257 7.518   1.00 68.68  ? 155 MET A CB  1 
ATOM   1111 C  CG  . MET A 1 145 ? 13.768 26.148 6.405   1.00 70.60  ? 155 MET A CG  1 
ATOM   1112 S  SD  . MET A 1 145 ? 14.239 27.784 6.958   0.73 66.24  ? 155 MET A SD  1 
ATOM   1113 C  CE  . MET A 1 145 ? 13.538 28.738 5.613   1.00 73.60  ? 155 MET A CE  1 
ATOM   1114 N  N   . ALA A 1 146 ? 12.288 23.854 4.590   1.00 65.28  ? 156 ALA A N   1 
ATOM   1115 C  CA  . ALA A 1 146 ? 12.595 23.249 3.305   1.00 65.16  ? 156 ALA A CA  1 
ATOM   1116 C  C   . ALA A 1 146 ? 12.581 24.302 2.198   1.00 66.10  ? 156 ALA A C   1 
ATOM   1117 O  O   . ALA A 1 146 ? 12.158 25.433 2.418   1.00 73.92  ? 156 ALA A O   1 
ATOM   1118 C  CB  . ALA A 1 146 ? 11.614 22.139 3.034   1.00 64.69  ? 156 ALA A CB  1 
ATOM   1119 N  N   . THR A 1 147 ? 13.056 23.911 1.011   1.00 64.19  ? 157 THR A N   1 
ATOM   1120 C  CA  . THR A 1 147 ? 13.203 24.827 -0.108  1.00 72.34  ? 157 THR A CA  1 
ATOM   1121 C  C   . THR A 1 147 ? 11.829 25.163 -0.683  1.00 73.72  ? 157 THR A C   1 
ATOM   1122 O  O   . THR A 1 147 ? 10.988 24.281 -0.848  1.00 69.12  ? 157 THR A O   1 
ATOM   1123 C  CB  . THR A 1 147 ? 14.152 24.259 -1.173  1.00 75.23  ? 157 THR A CB  1 
ATOM   1124 O  OG1 . THR A 1 147 ? 15.488 24.398 -0.687  1.00 78.04  ? 157 THR A OG1 1 
ATOM   1125 C  CG2 . THR A 1 147 ? 14.038 24.958 -2.511  1.00 73.39  ? 157 THR A CG2 1 
ATOM   1126 N  N   . LYS A 1 148 ? 11.636 26.458 -0.988  1.00 77.87  ? 158 LYS A N   1 
ATOM   1127 C  CA  . LYS A 1 148 ? 10.358 27.013 -1.412  1.00 77.62  ? 158 LYS A CA  1 
ATOM   1128 C  C   . LYS A 1 148 ? 9.240  26.475 -0.517  1.00 77.31  ? 158 LYS A C   1 
ATOM   1129 O  O   . LYS A 1 148 ? 8.109  26.307 -0.971  1.00 73.90  ? 158 LYS A O   1 
ATOM   1130 C  CB  . LYS A 1 148 ? 10.111 26.708 -2.894  1.00 79.25  ? 158 LYS A CB  1 
ATOM   1131 N  N   . ALA A 1 149 ? 9.589  26.218 0.756   1.00 77.82  ? 159 ALA A N   1 
ATOM   1132 C  CA  . ALA A 1 149 ? 8.700  25.681 1.780   1.00 75.98  ? 159 ALA A CA  1 
ATOM   1133 C  C   . ALA A 1 149 ? 7.988  24.409 1.320   1.00 71.62  ? 159 ALA A C   1 
ATOM   1134 O  O   . ALA A 1 149 ? 6.839  24.180 1.702   1.00 65.21  ? 159 ALA A O   1 
ATOM   1135 C  CB  . ALA A 1 149 ? 7.710  26.737 2.204   1.00 78.33  ? 159 ALA A CB  1 
ATOM   1136 N  N   . ASP A 1 150 ? 8.690  23.574 0.541   1.00 70.72  ? 160 ASP A N   1 
ATOM   1137 C  CA  . ASP A 1 150 ? 8.146  22.315 0.055   1.00 71.47  ? 160 ASP A CA  1 
ATOM   1138 C  C   . ASP A 1 150 ? 8.761  21.175 0.867   1.00 70.14  ? 160 ASP A C   1 
ATOM   1139 O  O   . ASP A 1 150 ? 9.964  20.938 0.793   1.00 60.82  ? 160 ASP A O   1 
ATOM   1140 C  CB  . ASP A 1 150 ? 8.375  22.177 -1.452  1.00 68.53  ? 160 ASP A CB  1 
ATOM   1141 C  CG  . ASP A 1 150 ? 7.814  20.906 -2.060  1.00 65.80  ? 160 ASP A CG  1 
ATOM   1142 O  OD1 . ASP A 1 150 ? 7.382  20.016 -1.296  1.00 59.22  ? 160 ASP A OD1 1 
ATOM   1143 O  OD2 . ASP A 1 150 ? 7.820  20.816 -3.299  1.00 69.37  ? 160 ASP A OD2 1 
ATOM   1144 N  N   . TYR A 1 151 ? 7.901  20.462 1.609   1.00 75.12  ? 161 TYR A N   1 
ATOM   1145 C  CA  . TYR A 1 151 ? 8.319  19.552 2.667   1.00 73.76  ? 161 TYR A CA  1 
ATOM   1146 C  C   . TYR A 1 151 ? 8.298  18.099 2.193   1.00 69.25  ? 161 TYR A C   1 
ATOM   1147 O  O   . TYR A 1 151 ? 8.569  17.194 2.979   1.00 65.59  ? 161 TYR A O   1 
ATOM   1148 C  CB  . TYR A 1 151 ? 7.415  19.795 3.882   1.00 76.46  ? 161 TYR A CB  1 
ATOM   1149 C  CG  . TYR A 1 151 ? 7.731  21.111 4.580   1.00 77.04  ? 161 TYR A CG  1 
ATOM   1150 C  CD1 . TYR A 1 151 ? 8.915  21.269 5.291   1.00 76.99  ? 161 TYR A CD1 1 
ATOM   1151 C  CD2 . TYR A 1 151 ? 6.883  22.207 4.485   1.00 79.56  ? 161 TYR A CD2 1 
ATOM   1152 C  CE1 . TYR A 1 151 ? 9.235  22.466 5.910   1.00 78.37  ? 161 TYR A CE1 1 
ATOM   1153 C  CE2 . TYR A 1 151 ? 7.194  23.414 5.094   1.00 80.03  ? 161 TYR A CE2 1 
ATOM   1154 C  CZ  . TYR A 1 151 ? 8.373  23.544 5.810   1.00 80.72  ? 161 TYR A CZ  1 
ATOM   1155 O  OH  . TYR A 1 151 ? 8.710  24.719 6.418   1.00 76.76  ? 161 TYR A OH  1 
ATOM   1156 N  N   . THR A 1 152 ? 7.956  17.880 0.917   1.00 65.78  ? 162 THR A N   1 
ATOM   1157 C  CA  . THR A 1 152 ? 8.196  16.610 0.248   1.00 64.33  ? 162 THR A CA  1 
ATOM   1158 C  C   . THR A 1 152 ? 7.301  15.512 0.825   1.00 65.63  ? 162 THR A C   1 
ATOM   1159 O  O   . THR A 1 152 ? 6.454  14.982 0.110   1.00 62.28  ? 162 THR A O   1 
ATOM   1160 C  CB  . THR A 1 152 ? 9.693  16.268 0.280   1.00 63.21  ? 162 THR A CB  1 
ATOM   1161 O  OG1 . THR A 1 152 ? 10.361 17.231 -0.538  1.00 62.71  ? 162 THR A OG1 1 
ATOM   1162 C  CG2 . THR A 1 152 ? 10.014 14.875 -0.214  1.00 64.41  ? 162 THR A CG2 1 
ATOM   1163 N  N   . LEU A 1 153 ? 7.505  15.144 2.097   1.00 66.80  ? 163 LEU A N   1 
ATOM   1164 C  CA  . LEU A 1 153 ? 6.764  14.041 2.695   1.00 69.82  ? 163 LEU A CA  1 
ATOM   1165 C  C   . LEU A 1 153 ? 5.450  14.543 3.290   1.00 70.84  ? 163 LEU A C   1 
ATOM   1166 O  O   . LEU A 1 153 ? 5.197  15.743 3.337   1.00 68.53  ? 163 LEU A O   1 
ATOM   1167 C  CB  . LEU A 1 153 ? 7.612  13.374 3.783   1.00 70.08  ? 163 LEU A CB  1 
ATOM   1168 C  CG  . LEU A 1 153 ? 8.926  12.737 3.333   1.00 68.76  ? 163 LEU A CG  1 
ATOM   1169 C  CD1 . LEU A 1 153 ? 9.718  12.251 4.535   1.00 67.03  ? 163 LEU A CD1 1 
ATOM   1170 C  CD2 . LEU A 1 153 ? 8.684  11.583 2.373   1.00 70.38  ? 163 LEU A CD2 1 
ATOM   1171 N  N   . ASP A 1 154 ? 4.619  13.592 3.728   1.00 74.50  ? 164 ASP A N   1 
ATOM   1172 C  CA  . ASP A 1 154 ? 3.422  13.888 4.499   1.00 79.38  ? 164 ASP A CA  1 
ATOM   1173 C  C   . ASP A 1 154 ? 3.829  14.080 5.957   1.00 79.08  ? 164 ASP A C   1 
ATOM   1174 O  O   . ASP A 1 154 ? 4.941  13.721 6.340   1.00 74.02  ? 164 ASP A O   1 
ATOM   1175 C  CB  . ASP A 1 154 ? 2.376  12.780 4.353   1.00 79.79  ? 164 ASP A CB  1 
ATOM   1176 C  CG  . ASP A 1 154 ? 2.916  11.404 4.697   1.00 83.82  ? 164 ASP A CG  1 
ATOM   1177 O  OD1 . ASP A 1 154 ? 3.565  10.798 3.822   1.00 91.90  ? 164 ASP A OD1 1 
ATOM   1178 O  OD2 . ASP A 1 154 ? 2.731  10.974 5.853   1.00 83.28  ? 164 ASP A OD2 1 
ATOM   1179 N  N   . GLU A 1 155 ? 2.910  14.629 6.763   1.00 78.83  ? 165 GLU A N   1 
ATOM   1180 C  CA  . GLU A 1 155 ? 3.219  15.054 8.120   1.00 78.95  ? 165 GLU A CA  1 
ATOM   1181 C  C   . GLU A 1 155 ? 3.408  13.858 9.051   1.00 75.86  ? 165 GLU A C   1 
ATOM   1182 O  O   . GLU A 1 155 ? 4.221  13.931 9.967   1.00 74.94  ? 165 GLU A O   1 
ATOM   1183 C  CB  . GLU A 1 155 ? 2.127  15.976 8.660   1.00 82.19  ? 165 GLU A CB  1 
ATOM   1184 C  CG  . GLU A 1 155 ? 2.146  17.353 8.033   1.00 85.61  ? 165 GLU A CG  1 
ATOM   1185 C  CD  . GLU A 1 155 ? 1.071  18.294 8.550   1.00 92.73  ? 165 GLU A CD  1 
ATOM   1186 O  OE1 . GLU A 1 155 ? -0.126 18.029 8.298   1.00 87.82  ? 165 GLU A OE1 1 
ATOM   1187 O  OE2 . GLU A 1 155 ? 1.438  19.285 9.212   1.00 98.49  ? 165 GLU A OE2 1 
ATOM   1188 N  N   . GLU A 1 156 ? 2.655  12.771 8.831   1.00 71.67  ? 166 GLU A N   1 
ATOM   1189 C  CA  . GLU A 1 156 ? 2.746  11.599 9.691   1.00 72.70  ? 166 GLU A CA  1 
ATOM   1190 C  C   . GLU A 1 156 ? 4.176  11.062 9.661   1.00 74.95  ? 166 GLU A C   1 
ATOM   1191 O  O   . GLU A 1 156 ? 4.673  10.542 10.663  1.00 80.15  ? 166 GLU A O   1 
ATOM   1192 C  CB  . GLU A 1 156 ? 1.747  10.529 9.247   1.00 72.42  ? 166 GLU A CB  1 
ATOM   1193 C  CG  . GLU A 1 156 ? 1.594  9.386  10.236  0.50 71.15  ? 166 GLU A CG  1 
ATOM   1194 C  CD  . GLU A 1 156 ? 0.580  8.330  9.824   0.50 70.74  ? 166 GLU A CD  1 
ATOM   1195 O  OE1 . GLU A 1 156 ? 0.763  7.717  8.750   0.50 65.24  ? 166 GLU A OE1 1 
ATOM   1196 O  OE2 . GLU A 1 156 ? -0.391 8.121  10.578  0.50 71.71  ? 166 GLU A OE2 1 
ATOM   1197 N  N   . SER A 1 157 ? 4.813  11.212 8.492   1.00 71.73  ? 167 SER A N   1 
ATOM   1198 C  CA  . SER A 1 157 ? 6.181  10.783 8.252   1.00 70.34  ? 167 SER A CA  1 
ATOM   1199 C  C   . SER A 1 157 ? 7.189  11.802 8.794   1.00 67.73  ? 167 SER A C   1 
ATOM   1200 O  O   . SER A 1 157 ? 8.114  11.426 9.512   1.00 60.82  ? 167 SER A O   1 
ATOM   1201 C  CB  . SER A 1 157 ? 6.391  10.521 6.781   1.00 71.70  ? 167 SER A CB  1 
ATOM   1202 O  OG  . SER A 1 157 ? 5.680  9.361  6.374   1.00 74.93  ? 167 SER A OG  1 
ATOM   1203 N  N   . ARG A 1 158 ? 7.022  13.085 8.444   1.00 62.63  ? 168 ARG A N   1 
ATOM   1204 C  CA  . ARG A 1 158 ? 7.855  14.146 8.997   1.00 64.61  ? 168 ARG A CA  1 
ATOM   1205 C  C   . ARG A 1 158 ? 7.810  14.137 10.527  1.00 65.56  ? 168 ARG A C   1 
ATOM   1206 O  O   . ARG A 1 158 ? 8.810  14.415 11.182  1.00 68.76  ? 168 ARG A O   1 
ATOM   1207 C  CB  . ARG A 1 158 ? 7.409  15.525 8.502   1.00 68.14  ? 168 ARG A CB  1 
ATOM   1208 C  CG  . ARG A 1 158 ? 7.627  15.762 7.016   1.00 71.12  ? 168 ARG A CG  1 
ATOM   1209 C  CD  . ARG A 1 158 ? 7.456  17.207 6.580   1.00 73.20  ? 168 ARG A CD  1 
ATOM   1210 N  NE  . ARG A 1 158 ? 6.262  17.904 7.047   1.00 77.56  ? 168 ARG A NE  1 
ATOM   1211 C  CZ  . ARG A 1 158 ? 5.148  18.070 6.336   1.00 89.61  ? 168 ARG A CZ  1 
ATOM   1212 N  NH1 . ARG A 1 158 ? 4.765  17.159 5.456   1.00 91.87  ? 168 ARG A NH1 1 
ATOM   1213 N  NH2 . ARG A 1 158 ? 4.363  19.106 6.586   1.00 93.67  ? 168 ARG A NH2 1 
ATOM   1214 N  N   . ALA A 1 159 ? 6.639  13.840 11.096  1.00 64.82  ? 169 ALA A N   1 
ATOM   1215 C  CA  . ALA A 1 159 ? 6.473  13.806 12.539  1.00 60.44  ? 169 ALA A CA  1 
ATOM   1216 C  C   . ALA A 1 159 ? 7.140  12.564 13.124  1.00 53.49  ? 169 ALA A C   1 
ATOM   1217 O  O   . ALA A 1 159 ? 7.643  12.611 14.240  1.00 50.64  ? 169 ALA A O   1 
ATOM   1218 C  CB  . ALA A 1 159 ? 5.007  13.855 12.892  1.00 60.13  ? 169 ALA A CB  1 
ATOM   1219 N  N   . ARG A 1 160 ? 7.126  11.450 12.384  1.00 51.35  ? 170 ARG A N   1 
ATOM   1220 C  CA  . ARG A 1 160 ? 7.806  10.250 12.845  1.00 55.54  ? 170 ARG A CA  1 
ATOM   1221 C  C   . ARG A 1 160 ? 9.294  10.565 13.024  1.00 56.06  ? 170 ARG A C   1 
ATOM   1222 O  O   . ARG A 1 160 ? 9.948  9.985  13.888  1.00 59.68  ? 170 ARG A O   1 
ATOM   1223 C  CB  . ARG A 1 160 ? 7.568  9.081  11.882  1.00 55.31  ? 170 ARG A CB  1 
ATOM   1224 N  N   . ILE A 1 161 ? 9.801  11.521 12.230  1.00 53.96  ? 171 ILE A N   1 
ATOM   1225 C  CA  . ILE A 1 161 ? 11.212 11.884 12.210  1.00 54.11  ? 171 ILE A CA  1 
ATOM   1226 C  C   . ILE A 1 161 ? 11.528 12.874 13.328  1.00 56.94  ? 171 ILE A C   1 
ATOM   1227 O  O   . ILE A 1 161 ? 12.512 12.693 14.040  1.00 60.14  ? 171 ILE A O   1 
ATOM   1228 C  CB  . ILE A 1 161 ? 11.629 12.444 10.833  1.00 52.56  ? 171 ILE A CB  1 
ATOM   1229 C  CG1 . ILE A 1 161 ? 11.579 11.359 9.754   1.00 53.43  ? 171 ILE A CG1 1 
ATOM   1230 C  CG2 . ILE A 1 161 ? 13.007 13.093 10.907  1.00 49.78  ? 171 ILE A CG2 1 
ATOM   1231 C  CD1 . ILE A 1 161 ? 12.093 11.787 8.396   1.00 51.42  ? 171 ILE A CD1 1 
ATOM   1232 N  N   . LYS A 1 162 ? 10.728 13.940 13.446  1.00 55.88  ? 172 LYS A N   1 
ATOM   1233 C  CA  . LYS A 1 162 ? 10.925 14.949 14.477  1.00 54.95  ? 172 LYS A CA  1 
ATOM   1234 C  C   . LYS A 1 162 ? 10.829 14.332 15.873  1.00 53.85  ? 172 LYS A C   1 
ATOM   1235 O  O   . LYS A 1 162 ? 11.589 14.703 16.767  1.00 57.62  ? 172 LYS A O   1 
ATOM   1236 C  CB  . LYS A 1 162 ? 9.911  16.081 14.291  1.00 57.10  ? 172 LYS A CB  1 
ATOM   1237 C  CG  . LYS A 1 162 ? 10.188 16.963 13.082  1.00 59.94  ? 172 LYS A CG  1 
ATOM   1238 C  CD  . LYS A 1 162 ? 9.172  18.057 12.848  1.00 63.41  ? 172 LYS A CD  1 
ATOM   1239 C  CE  . LYS A 1 162 ? 7.902  17.570 12.185  1.00 65.33  ? 172 LYS A CE  1 
ATOM   1240 N  NZ  . LYS A 1 162 ? 7.272  18.660 11.403  1.00 67.74  ? 172 LYS A NZ  1 
ATOM   1241 N  N   . THR A 1 163 ? 9.895  13.388 16.044  1.00 50.64  ? 173 THR A N   1 
ATOM   1242 C  CA  . THR A 1 163 ? 9.653  12.745 17.326  1.00 51.54  ? 173 THR A CA  1 
ATOM   1243 C  C   . THR A 1 163 ? 10.849 11.874 17.703  1.00 52.63  ? 173 THR A C   1 
ATOM   1244 O  O   . THR A 1 163 ? 11.163 11.722 18.884  1.00 50.95  ? 173 THR A O   1 
ATOM   1245 C  CB  . THR A 1 163 ? 8.337  11.950 17.300  1.00 52.32  ? 173 THR A CB  1 
ATOM   1246 O  OG1 . THR A 1 163 ? 7.257  12.883 17.248  1.00 52.16  ? 173 THR A OG1 1 
ATOM   1247 C  CG2 . THR A 1 163 ? 8.146  11.050 18.501  1.00 50.86  ? 173 THR A CG2 1 
ATOM   1248 N  N   . ARG A 1 164 ? 11.503 11.287 16.695  1.00 55.15  ? 174 ARG A N   1 
ATOM   1249 C  CA  . ARG A 1 164 ? 12.684 10.471 16.928  1.00 52.64  ? 174 ARG A CA  1 
ATOM   1250 C  C   . ARG A 1 164 ? 13.838 11.360 17.393  1.00 50.11  ? 174 ARG A C   1 
ATOM   1251 O  O   . ARG A 1 164 ? 14.566 11.016 18.316  1.00 49.08  ? 174 ARG A O   1 
ATOM   1252 C  CB  . ARG A 1 164 ? 13.047 9.700  15.657  1.00 52.09  ? 174 ARG A CB  1 
ATOM   1253 C  CG  . ARG A 1 164 ? 14.375 8.959  15.730  1.00 53.68  ? 174 ARG A CG  1 
ATOM   1254 C  CD  . ARG A 1 164 ? 14.487 7.972  16.882  1.00 54.11  ? 174 ARG A CD  1 
ATOM   1255 N  NE  . ARG A 1 164 ? 15.766 7.277  16.822  1.00 53.87  ? 174 ARG A NE  1 
ATOM   1256 C  CZ  . ARG A 1 164 ? 16.291 6.515  17.779  1.00 59.71  ? 174 ARG A CZ  1 
ATOM   1257 N  NH1 . ARG A 1 164 ? 15.624 6.251  18.891  1.00 60.60  ? 174 ARG A NH1 1 
ATOM   1258 N  NH2 . ARG A 1 164 ? 17.506 6.018  17.617  1.00 62.16  ? 174 ARG A NH2 1 
ATOM   1259 N  N   . LEU A 1 165 ? 14.006 12.508 16.736  1.00 50.07  ? 175 LEU A N   1 
ATOM   1260 C  CA  . LEU A 1 165 ? 15.046 13.461 17.084  1.00 49.55  ? 175 LEU A CA  1 
ATOM   1261 C  C   . LEU A 1 165 ? 14.831 13.997 18.499  1.00 52.71  ? 175 LEU A C   1 
ATOM   1262 O  O   . LEU A 1 165 ? 15.775 14.095 19.282  1.00 47.50  ? 175 LEU A O   1 
ATOM   1263 C  CB  . LEU A 1 165 ? 15.020 14.589 16.049  1.00 50.13  ? 175 LEU A CB  1 
ATOM   1264 C  CG  . LEU A 1 165 ? 15.604 14.235 14.682  1.00 49.16  ? 175 LEU A CG  1 
ATOM   1265 C  CD1 . LEU A 1 165 ? 15.544 15.422 13.732  1.00 48.29  ? 175 LEU A CD1 1 
ATOM   1266 C  CD2 . LEU A 1 165 ? 17.037 13.755 14.824  1.00 50.21  ? 175 LEU A CD2 1 
ATOM   1267 N  N   . PHE A 1 166 ? 13.584 14.358 18.813  1.00 55.80  ? 176 PHE A N   1 
ATOM   1268 C  CA  . PHE A 1 166 ? 13.207 14.730 20.167  1.00 57.27  ? 176 PHE A CA  1 
ATOM   1269 C  C   . PHE A 1 166 ? 13.639 13.632 21.144  1.00 51.01  ? 176 PHE A C   1 
ATOM   1270 O  O   . PHE A 1 166 ? 14.365 13.898 22.096  1.00 50.88  ? 176 PHE A O   1 
ATOM   1271 C  CB  . PHE A 1 166 ? 11.703 15.006 20.203  1.00 64.34  ? 176 PHE A CB  1 
ATOM   1272 C  CG  . PHE A 1 166 ? 11.175 15.487 21.527  1.00 70.76  ? 176 PHE A CG  1 
ATOM   1273 C  CD1 . PHE A 1 166 ? 11.432 16.776 21.966  1.00 73.18  ? 176 PHE A CD1 1 
ATOM   1274 C  CD2 . PHE A 1 166 ? 10.421 14.648 22.335  1.00 75.76  ? 176 PHE A CD2 1 
ATOM   1275 C  CE1 . PHE A 1 166 ? 10.938 17.220 23.182  1.00 74.56  ? 176 PHE A CE1 1 
ATOM   1276 C  CE2 . PHE A 1 166 ? 9.933  15.093 23.555  1.00 77.96  ? 176 PHE A CE2 1 
ATOM   1277 C  CZ  . PHE A 1 166 ? 10.190 16.378 23.974  1.00 76.38  ? 176 PHE A CZ  1 
ATOM   1278 N  N   . THR A 1 167 ? 13.217 12.393 20.870  1.00 50.36  ? 177 THR A N   1 
ATOM   1279 C  CA  . THR A 1 167 ? 13.503 11.235 21.709  1.00 54.06  ? 177 THR A CA  1 
ATOM   1280 C  C   . THR A 1 167 ? 14.988 11.177 22.079  1.00 56.00  ? 177 THR A C   1 
ATOM   1281 O  O   . THR A 1 167 ? 15.322 10.914 23.234  1.00 56.62  ? 177 THR A O   1 
ATOM   1282 C  CB  . THR A 1 167 ? 13.014 9.959  21.010  1.00 59.22  ? 177 THR A CB  1 
ATOM   1283 O  OG1 . THR A 1 167 ? 11.640 10.151 20.678  1.00 62.87  ? 177 THR A OG1 1 
ATOM   1284 C  CG2 . THR A 1 167 ? 13.157 8.706  21.844  1.00 65.11  ? 177 THR A CG2 1 
ATOM   1285 N  N   . ILE A 1 168 ? 15.867 11.457 21.102  1.00 57.52  ? 178 ILE A N   1 
ATOM   1286 C  CA  . ILE A 1 168 ? 17.317 11.385 21.268  1.00 53.10  ? 178 ILE A CA  1 
ATOM   1287 C  C   . ILE A 1 168 ? 17.820 12.502 22.190  1.00 55.66  ? 178 ILE A C   1 
ATOM   1288 O  O   . ILE A 1 168 ? 18.654 12.246 23.060  1.00 55.57  ? 178 ILE A O   1 
ATOM   1289 C  CB  . ILE A 1 168 ? 18.024 11.424 19.894  1.00 52.57  ? 178 ILE A CB  1 
ATOM   1290 C  CG1 . ILE A 1 168 ? 17.628 10.239 19.010  1.00 49.10  ? 178 ILE A CG1 1 
ATOM   1291 C  CG2 . ILE A 1 168 ? 19.539 11.498 20.051  1.00 53.50  ? 178 ILE A CG2 1 
ATOM   1292 C  CD1 . ILE A 1 168 ? 18.148 10.327 17.587  1.00 46.53  ? 178 ILE A CD1 1 
ATOM   1293 N  N   . ARG A 1 169 ? 17.345 13.742 21.979  1.00 55.18  ? 179 ARG A N   1 
ATOM   1294 C  CA  . ARG A 1 169 ? 17.680 14.863 22.850  1.00 59.43  ? 179 ARG A CA  1 
ATOM   1295 C  C   . ARG A 1 169 ? 17.449 14.474 24.313  1.00 61.14  ? 179 ARG A C   1 
ATOM   1296 O  O   . ARG A 1 169 ? 18.323 14.669 25.156  1.00 64.81  ? 179 ARG A O   1 
ATOM   1297 C  CB  . ARG A 1 169 ? 16.858 16.099 22.462  1.00 64.63  ? 179 ARG A CB  1 
ATOM   1298 C  CG  . ARG A 1 169 ? 17.204 17.372 23.229  1.00 69.33  ? 179 ARG A CG  1 
ATOM   1299 C  CD  . ARG A 1 169 ? 16.066 18.388 23.236  1.00 74.39  ? 179 ARG A CD  1 
ATOM   1300 N  NE  . ARG A 1 169 ? 16.232 19.425 24.253  1.00 74.72  ? 179 ARG A NE  1 
ATOM   1301 C  CZ  . ARG A 1 169 ? 16.234 19.213 25.570  1.00 75.62  ? 179 ARG A CZ  1 
ATOM   1302 N  NH1 . ARG A 1 169 ? 15.880 18.039 26.069  1.00 71.63  ? 179 ARG A NH1 1 
ATOM   1303 N  NH2 . ARG A 1 169 ? 16.572 20.192 26.394  1.00 75.71  ? 179 ARG A NH2 1 
ATOM   1304 N  N   . GLN A 1 170 ? 16.279 13.896 24.602  1.00 61.57  ? 180 GLN A N   1 
ATOM   1305 C  CA  . GLN A 1 170 ? 15.876 13.581 25.965  1.00 64.27  ? 180 GLN A CA  1 
ATOM   1306 C  C   . GLN A 1 170 ? 16.795 12.523 26.574  1.00 63.51  ? 180 GLN A C   1 
ATOM   1307 O  O   . GLN A 1 170 ? 17.331 12.722 27.661  1.00 62.51  ? 180 GLN A O   1 
ATOM   1308 C  CB  . GLN A 1 170 ? 14.422 13.108 25.974  1.00 67.19  ? 180 GLN A CB  1 
ATOM   1309 C  CG  . GLN A 1 170 ? 13.432 14.176 25.529  1.00 69.57  ? 180 GLN A CG  1 
ATOM   1310 C  CD  . GLN A 1 170 ? 13.017 15.060 26.675  1.00 73.56  ? 180 GLN A CD  1 
ATOM   1311 O  OE1 . GLN A 1 170 ? 13.791 15.874 27.174  1.00 72.53  ? 180 GLN A OE1 1 
ATOM   1312 N  NE2 . GLN A 1 170 ? 11.779 14.886 27.107  1.00 81.44  ? 180 GLN A NE2 1 
ATOM   1313 N  N   . GLU A 1 171 ? 16.979 11.398 25.874  1.00 63.65  ? 181 GLU A N   1 
ATOM   1314 C  CA  . GLU A 1 171 ? 17.816 10.322 26.382  1.00 61.66  ? 181 GLU A CA  1 
ATOM   1315 C  C   . GLU A 1 171 ? 19.225 10.859 26.648  1.00 61.68  ? 181 GLU A C   1 
ATOM   1316 O  O   . GLU A 1 171 ? 19.862 10.495 27.637  1.00 60.90  ? 181 GLU A O   1 
ATOM   1317 C  CB  . GLU A 1 171 ? 17.804 9.136  25.418  1.00 59.19  ? 181 GLU A CB  1 
ATOM   1318 C  CG  . GLU A 1 171 ? 18.593 7.927  25.911  1.00 63.36  ? 181 GLU A CG  1 
ATOM   1319 C  CD  . GLU A 1 171 ? 18.092 7.222  27.163  0.50 60.02  ? 181 GLU A CD  1 
ATOM   1320 O  OE1 . GLU A 1 171 ? 16.978 7.537  27.624  0.50 57.21  ? 181 GLU A OE1 1 
ATOM   1321 O  OE2 . GLU A 1 171 ? 18.827 6.351  27.672  0.50 58.08  ? 181 GLU A OE2 1 
ATOM   1322 N  N   . MET A 1 172 ? 19.698 11.745 25.766  1.00 58.18  ? 182 MET A N   1 
ATOM   1323 C  CA  . MET A 1 172 ? 20.974 12.408 25.969  1.00 57.29  ? 182 MET A CA  1 
ATOM   1324 C  C   . MET A 1 172 ? 20.916 13.224 27.258  1.00 60.15  ? 182 MET A C   1 
ATOM   1325 O  O   . MET A 1 172 ? 21.857 13.201 28.048  1.00 57.86  ? 182 MET A O   1 
ATOM   1326 C  CB  . MET A 1 172 ? 21.310 13.341 24.799  1.00 58.24  ? 182 MET A CB  1 
ATOM   1327 C  CG  . MET A 1 172 ? 22.159 12.708 23.704  1.00 52.34  ? 182 MET A CG  1 
ATOM   1328 S  SD  . MET A 1 172 ? 22.478 13.891 22.361  0.64 45.98  ? 182 MET A SD  1 
ATOM   1329 C  CE  . MET A 1 172 ? 22.976 12.781 21.050  1.00 43.67  ? 182 MET A CE  1 
ATOM   1330 N  N   . ALA A 1 173 ? 19.802 13.943 27.456  1.00 66.04  ? 183 ALA A N   1 
ATOM   1331 C  CA  . ALA A 1 173 ? 19.648 14.846 28.589  1.00 70.22  ? 183 ALA A CA  1 
ATOM   1332 C  C   . ALA A 1 173 ? 19.725 14.076 29.907  1.00 66.98  ? 183 ALA A C   1 
ATOM   1333 O  O   . ALA A 1 173 ? 20.541 14.405 30.762  1.00 71.83  ? 183 ALA A O   1 
ATOM   1334 C  CB  . ALA A 1 173 ? 18.359 15.624 28.472  1.00 70.93  ? 183 ALA A CB  1 
ATOM   1335 N  N   . SER A 1 174 ? 18.901 13.034 30.051  1.00 63.48  ? 184 SER A N   1 
ATOM   1336 C  CA  . SER A 1 174 ? 18.941 12.170 31.219  1.00 65.64  ? 184 SER A CA  1 
ATOM   1337 C  C   . SER A 1 174 ? 20.366 11.708 31.525  1.00 68.65  ? 184 SER A C   1 
ATOM   1338 O  O   . SER A 1 174 ? 20.731 11.588 32.693  1.00 73.95  ? 184 SER A O   1 
ATOM   1339 C  CB  . SER A 1 174 ? 18.021 10.995 31.036  1.00 66.54  ? 184 SER A CB  1 
ATOM   1340 O  OG  . SER A 1 174 ? 18.183 10.434 29.743  1.00 63.60  ? 184 SER A OG  1 
ATOM   1341 N  N   . ARG A 1 175 ? 21.162 11.441 30.479  1.00 69.19  ? 185 ARG A N   1 
ATOM   1342 C  CA  . ARG A 1 175 ? 22.529 10.965 30.646  1.00 67.25  ? 185 ARG A CA  1 
ATOM   1343 C  C   . ARG A 1 175 ? 23.510 12.135 30.722  1.00 66.42  ? 185 ARG A C   1 
ATOM   1344 O  O   . ARG A 1 175 ? 24.702 11.917 30.925  1.00 64.71  ? 185 ARG A O   1 
ATOM   1345 C  CB  . ARG A 1 175 ? 22.908 10.013 29.508  1.00 66.75  ? 185 ARG A CB  1 
ATOM   1346 C  CG  . ARG A 1 175 ? 22.070 8.744  29.452  1.00 66.94  ? 185 ARG A CG  1 
ATOM   1347 C  CD  . ARG A 1 175 ? 22.445 7.889  28.258  1.00 64.57  ? 185 ARG A CD  1 
ATOM   1348 N  NE  . ARG A 1 175 ? 21.554 6.746  28.099  1.00 64.01  ? 185 ARG A NE  1 
ATOM   1349 C  CZ  . ARG A 1 175 ? 21.945 5.480  27.973  0.50 61.92  ? 185 ARG A CZ  1 
ATOM   1350 N  NH1 . ARG A 1 175 ? 23.220 5.151  28.093  0.50 59.20  ? 185 ARG A NH1 1 
ATOM   1351 N  NH2 . ARG A 1 175 ? 21.049 4.534  27.741  0.50 58.21  ? 185 ARG A NH2 1 
ATOM   1352 N  N   . SER A 1 176 ? 23.003 13.363 30.545  1.00 68.03  ? 186 SER A N   1 
ATOM   1353 C  CA  . SER A 1 176 ? 23.750 14.594 30.774  1.00 74.91  ? 186 SER A CA  1 
ATOM   1354 C  C   . SER A 1 176 ? 24.787 14.822 29.676  1.00 75.53  ? 186 SER A C   1 
ATOM   1355 O  O   . SER A 1 176 ? 25.898 15.270 29.954  1.00 72.46  ? 186 SER A O   1 
ATOM   1356 C  CB  . SER A 1 176 ? 24.398 14.611 32.143  1.00 81.07  ? 186 SER A CB  1 
ATOM   1357 O  OG  . SER A 1 176 ? 23.446 14.351 33.162  1.00 84.56  ? 186 SER A OG  1 
ATOM   1358 N  N   . LEU A 1 177 ? 24.395 14.551 28.424  1.00 77.05  ? 187 LEU A N   1 
ATOM   1359 C  CA  . LEU A 1 177 ? 25.295 14.640 27.284  1.00 71.65  ? 187 LEU A CA  1 
ATOM   1360 C  C   . LEU A 1 177 ? 24.889 15.780 26.347  1.00 69.96  ? 187 LEU A C   1 
ATOM   1361 O  O   . LEU A 1 177 ? 25.634 16.093 25.418  1.00 69.31  ? 187 LEU A O   1 
ATOM   1362 C  CB  . LEU A 1 177 ? 25.265 13.296 26.548  1.00 68.38  ? 187 LEU A CB  1 
ATOM   1363 C  CG  . LEU A 1 177 ? 25.646 12.075 27.382  1.00 66.75  ? 187 LEU A CG  1 
ATOM   1364 C  CD1 . LEU A 1 177 ? 25.301 10.788 26.653  1.00 66.69  ? 187 LEU A CD1 1 
ATOM   1365 C  CD2 . LEU A 1 177 ? 27.125 12.099 27.728  1.00 68.06  ? 187 LEU A CD2 1 
ATOM   1366 N  N   . TRP A 1 178 ? 23.733 16.415 26.608  1.00 69.59  ? 188 TRP A N   1 
ATOM   1367 C  CA  . TRP A 1 178 ? 23.053 17.214 25.599  1.00 68.67  ? 188 TRP A CA  1 
ATOM   1368 C  C   . TRP A 1 178 ? 23.737 18.560 25.360  1.00 70.62  ? 188 TRP A C   1 
ATOM   1369 O  O   . TRP A 1 178 ? 23.706 19.064 24.242  1.00 74.50  ? 188 TRP A O   1 
ATOM   1370 C  CB  . TRP A 1 178 ? 21.571 17.427 25.941  1.00 71.84  ? 188 TRP A CB  1 
ATOM   1371 C  CG  . TRP A 1 178 ? 20.959 18.480 25.055  1.00 78.07  ? 188 TRP A CG  1 
ATOM   1372 C  CD1 . TRP A 1 178 ? 20.598 19.750 25.402  1.00 77.78  ? 188 TRP A CD1 1 
ATOM   1373 C  CD2 . TRP A 1 178 ? 20.724 18.373 23.634  1.00 77.33  ? 188 TRP A CD2 1 
ATOM   1374 N  NE1 . TRP A 1 178 ? 20.139 20.433 24.307  1.00 76.96  ? 188 TRP A NE1 1 
ATOM   1375 C  CE2 . TRP A 1 178 ? 20.206 19.616 23.209  1.00 76.48  ? 188 TRP A CE2 1 
ATOM   1376 C  CE3 . TRP A 1 178 ? 20.891 17.353 22.692  1.00 72.75  ? 188 TRP A CE3 1 
ATOM   1377 C  CZ2 . TRP A 1 178 ? 19.855 19.858 21.883  1.00 77.19  ? 188 TRP A CZ2 1 
ATOM   1378 C  CZ3 . TRP A 1 178 ? 20.543 17.596 21.381  1.00 72.17  ? 188 TRP A CZ3 1 
ATOM   1379 C  CH2 . TRP A 1 178 ? 20.046 18.836 20.982  1.00 73.40  ? 188 TRP A CH2 1 
ATOM   1380 N  N   . ASP A 1 179 ? 24.330 19.161 26.397  1.00 76.49  ? 189 ASP A N   1 
ATOM   1381 C  CA  . ASP A 1 179 ? 24.814 20.530 26.284  1.00 79.12  ? 189 ASP A CA  1 
ATOM   1382 C  C   . ASP A 1 179 ? 26.157 20.544 25.564  1.00 72.89  ? 189 ASP A C   1 
ATOM   1383 O  O   . ASP A 1 179 ? 26.356 21.320 24.630  1.00 72.01  ? 189 ASP A O   1 
ATOM   1384 C  CB  . ASP A 1 179 ? 24.880 21.222 27.647  1.00 84.93  ? 189 ASP A CB  1 
ATOM   1385 C  CG  . ASP A 1 179 ? 23.564 21.869 28.048  1.00 85.64  ? 189 ASP A CG  1 
ATOM   1386 O  OD1 . ASP A 1 179 ? 23.053 22.694 27.259  1.00 90.66  ? 189 ASP A OD1 1 
ATOM   1387 O  OD2 . ASP A 1 179 ? 23.062 21.544 29.139  1.00 82.27  ? 189 ASP A OD2 1 
ATOM   1388 N  N   . SER A 1 180 ? 27.071 19.691 26.034  1.00 69.56  ? 190 SER A N   1 
ATOM   1389 C  CA  . SER A 1 180 ? 28.291 19.380 25.312  1.00 65.24  ? 190 SER A CA  1 
ATOM   1390 C  C   . SER A 1 180 ? 27.973 19.308 23.820  1.00 69.00  ? 190 SER A C   1 
ATOM   1391 O  O   . SER A 1 180 ? 28.564 20.028 23.016  1.00 79.09  ? 190 SER A O   1 
ATOM   1392 C  CB  . SER A 1 180 ? 28.872 18.088 25.832  1.00 62.01  ? 190 SER A CB  1 
ATOM   1393 O  OG  . SER A 1 180 ? 30.223 17.918 25.430  1.00 62.10  ? 190 SER A OG  1 
ATOM   1394 N  N   . PHE A 1 181 ? 26.968 18.482 23.497  1.00 66.27  ? 191 PHE A N   1 
ATOM   1395 C  CA  . PHE A 1 181 ? 26.572 18.155 22.135  1.00 64.93  ? 191 PHE A CA  1 
ATOM   1396 C  C   . PHE A 1 181 ? 26.035 19.384 21.413  1.00 65.19  ? 191 PHE A C   1 
ATOM   1397 O  O   . PHE A 1 181 ? 26.475 19.682 20.305  1.00 70.01  ? 191 PHE A O   1 
ATOM   1398 C  CB  . PHE A 1 181 ? 25.517 17.046 22.161  1.00 64.28  ? 191 PHE A CB  1 
ATOM   1399 C  CG  . PHE A 1 181 ? 25.108 16.501 20.814  1.00 65.01  ? 191 PHE A CG  1 
ATOM   1400 C  CD1 . PHE A 1 181 ? 26.035 15.890 19.980  1.00 63.12  ? 191 PHE A CD1 1 
ATOM   1401 C  CD2 . PHE A 1 181 ? 23.788 16.576 20.386  1.00 62.54  ? 191 PHE A CD2 1 
ATOM   1402 C  CE1 . PHE A 1 181 ? 25.656 15.384 18.743  1.00 61.29  ? 191 PHE A CE1 1 
ATOM   1403 C  CE2 . PHE A 1 181 ? 23.410 16.068 19.150  1.00 60.59  ? 191 PHE A CE2 1 
ATOM   1404 C  CZ  . PHE A 1 181 ? 24.345 15.473 18.328  1.00 59.94  ? 191 PHE A CZ  1 
ATOM   1405 N  N   . ARG A 1 182 ? 25.071 20.068 22.045  1.00 66.70  ? 192 ARG A N   1 
ATOM   1406 C  CA  . ARG A 1 182 ? 24.528 21.321 21.537  1.00 68.27  ? 192 ARG A CA  1 
ATOM   1407 C  C   . ARG A 1 182 ? 25.668 22.318 21.340  1.00 72.97  ? 192 ARG A C   1 
ATOM   1408 O  O   . ARG A 1 182 ? 25.668 23.062 20.360  1.00 80.60  ? 192 ARG A O   1 
ATOM   1409 C  CB  . ARG A 1 182 ? 23.468 21.883 22.495  1.00 69.07  ? 192 ARG A CB  1 
ATOM   1410 C  CG  . ARG A 1 182 ? 22.536 22.926 21.886  1.00 69.13  ? 192 ARG A CG  1 
ATOM   1411 C  CD  . ARG A 1 182 ? 22.032 23.939 22.900  1.00 65.35  ? 192 ARG A CD  1 
ATOM   1412 N  N   . GLN A 1 183 ? 26.636 22.313 22.271  1.00 71.45  ? 193 GLN A N   1 
ATOM   1413 C  CA  . GLN A 1 183 ? 27.723 23.278 22.265  1.00 71.81  ? 193 GLN A CA  1 
ATOM   1414 C  C   . GLN A 1 183 ? 28.620 23.030 21.053  1.00 75.41  ? 193 GLN A C   1 
ATOM   1415 O  O   . GLN A 1 183 ? 28.989 23.969 20.346  1.00 70.77  ? 193 GLN A O   1 
ATOM   1416 C  CB  . GLN A 1 183 ? 28.523 23.209 23.570  0.50 68.10  ? 193 GLN A CB  1 
ATOM   1417 N  N   . SER A 1 184 ? 28.920 21.751 20.796  1.00 75.47  ? 194 SER A N   1 
ATOM   1418 C  CA  . SER A 1 184 ? 30.015 21.367 19.920  1.00 75.35  ? 194 SER A CA  1 
ATOM   1419 C  C   . SER A 1 184 ? 29.682 21.531 18.435  1.00 73.62  ? 194 SER A C   1 
ATOM   1420 O  O   . SER A 1 184 ? 30.518 21.187 17.604  1.00 72.47  ? 194 SER A O   1 
ATOM   1421 C  CB  . SER A 1 184 ? 30.432 19.951 20.205  1.00 78.30  ? 194 SER A CB  1 
ATOM   1422 O  OG  . SER A 1 184 ? 29.374 19.049 19.912  1.00 78.22  ? 194 SER A OG  1 
ATOM   1423 N  N   . GLU A 1 185 ? 28.494 22.052 18.085  1.00 70.74  ? 195 GLU A N   1 
ATOM   1424 C  CA  . GLU A 1 185 ? 28.124 22.160 16.680  1.00 73.45  ? 195 GLU A CA  1 
ATOM   1425 C  C   . GLU A 1 185 ? 28.973 23.224 15.984  1.00 74.23  ? 195 GLU A C   1 
ATOM   1426 O  O   . GLU A 1 185 ? 28.845 24.413 16.267  1.00 71.75  ? 195 GLU A O   1 
ATOM   1427 C  CB  . GLU A 1 185 ? 26.641 22.481 16.474  1.00 71.61  ? 195 GLU A CB  1 
ATOM   1428 C  CG  . GLU A 1 185 ? 26.282 22.671 15.002  1.00 71.93  ? 195 GLU A CG  1 
ATOM   1429 C  CD  . GLU A 1 185 ? 24.824 22.453 14.630  1.00 72.49  ? 195 GLU A CD  1 
ATOM   1430 O  OE1 . GLU A 1 185 ? 24.256 21.439 15.070  1.00 73.93  ? 195 GLU A OE1 1 
ATOM   1431 O  OE2 . GLU A 1 185 ? 24.269 23.277 13.874  1.00 68.05  ? 195 GLU A OE2 1 
ATOM   1432 N  N   . ARG A 1 186 ? 29.833 22.767 15.066  0.70 73.78  ? 196 ARG A N   1 
ATOM   1433 C  CA  . ARG A 1 186 ? 30.448 23.632 14.074  0.70 77.93  ? 196 ARG A CA  1 
ATOM   1434 C  C   . ARG A 1 186 ? 29.466 23.780 12.905  0.70 78.89  ? 196 ARG A C   1 
ATOM   1435 O  O   . ARG A 1 186 ? 28.515 24.573 13.061  0.70 83.01  ? 196 ARG A O   1 
ATOM   1436 C  CB  . ARG A 1 186 ? 31.797 23.058 13.624  0.70 80.05  ? 196 ARG A CB  1 
ATOM   1437 O  OXT . ARG A 1 186 ? 29.670 23.081 11.889  0.70 73.57  ? 196 ARG A OXT 1 
HETATM 1438 MN MN  . MN  B 2 .   ? 23.180 16.074 4.577   1.00 51.53  ? 201 MN  A MN  1 
HETATM 1439 MG MG  . MG  C 3 .   ? 25.453 13.840 2.736   1.00 32.88  ? 202 MG  A MG  1 
HETATM 1440 CL CL  . CL  D 4 .   ? 23.214 2.199  2.407   1.00 67.55  ? 203 CL  A CL  1 
HETATM 1441 N  N1  . 85W E 5 .   ? 27.479 14.716 6.237   1.00 63.97  ? 204 85W A N1  1 
HETATM 1442 C  C4  . 85W E 5 .   ? 28.137 15.952 8.191   1.00 69.93  ? 204 85W A C4  1 
HETATM 1443 C  C5  . 85W E 5 .   ? 27.713 16.607 9.343   1.00 77.49  ? 204 85W A C5  1 
HETATM 1444 C  C6  . 85W E 5 .   ? 28.590 16.860 10.417  1.00 81.05  ? 204 85W A C6  1 
HETATM 1445 C  C7  . 85W E 5 .   ? 28.166 17.527 11.594  1.00 85.46  ? 204 85W A C7  1 
HETATM 1446 C  C8  . 85W E 5 .   ? 29.046 17.757 12.615  1.00 88.71  ? 204 85W A C8  1 
HETATM 1447 C  C10 . 85W E 5 .   ? 30.828 16.682 11.391  1.00 85.02  ? 204 85W A C10 1 
HETATM 1448 C  C13 . 85W E 5 .   ? 29.468 15.537 8.097   1.00 74.89  ? 204 85W A C13 1 
HETATM 1449 O  O1  . 85W E 5 .   ? 24.608 15.167 3.947   1.00 48.53  ? 204 85W A O1  1 
HETATM 1450 C  C1  . 85W E 5 .   ? 25.554 15.295 4.934   1.00 53.99  ? 204 85W A C1  1 
HETATM 1451 C  C2  . 85W E 5 .   ? 26.656 14.497 5.199   1.00 59.79  ? 204 85W A C2  1 
HETATM 1452 C  C3  . 85W E 5 .   ? 27.193 15.721 7.064   1.00 66.34  ? 204 85W A C3  1 
HETATM 1453 O  O2  . 85W E 5 .   ? 28.608 18.413 13.744  1.00 79.28  ? 204 85W A O2  1 
HETATM 1454 C  C9  . 85W E 5 .   ? 30.383 17.336 12.520  1.00 87.36  ? 204 85W A C9  1 
HETATM 1455 O  O3  . 85W E 5 .   ? 32.133 16.259 11.290  1.00 82.11  ? 204 85W A O3  1 
HETATM 1456 C  C11 . 85W E 5 .   ? 29.943 16.432 10.305  1.00 81.50  ? 204 85W A C11 1 
HETATM 1457 C  C12 . 85W E 5 .   ? 30.352 15.761 9.118   1.00 80.47  ? 204 85W A C12 1 
HETATM 1458 O  O4  . 85W E 5 .   ? 31.660 15.335 9.019   1.00 78.38  ? 204 85W A O4  1 
HETATM 1459 N  N2  . 85W E 5 .   ? 26.104 16.543 6.864   1.00 62.85  ? 204 85W A N2  1 
HETATM 1460 C  C14 . 85W E 5 .   ? 25.240 16.357 5.815   1.00 58.91  ? 204 85W A C14 1 
HETATM 1461 O  O5  . 85W E 5 .   ? 24.229 17.069 5.647   1.00 55.86  ? 204 85W A O5  1 
HETATM 1462 O  O   . HOH F 6 .   ? 33.352 15.497 19.526  1.00 64.44  ? 301 HOH A O   1 
HETATM 1463 O  O   . HOH F 6 .   ? 11.655 18.639 1.101   1.00 49.53  ? 302 HOH A O   1 
HETATM 1464 O  O   . HOH F 6 .   ? 25.256 15.064 1.209   1.00 36.87  ? 303 HOH A O   1 
HETATM 1465 O  O   . HOH F 6 .   ? 25.961 11.660 8.178   1.00 39.95  ? 304 HOH A O   1 
HETATM 1466 O  O   . HOH F 6 .   ? 25.721 12.487 0.858   1.00 34.28  ? 305 HOH A O   1 
HETATM 1467 O  O   . HOH F 6 .   ? 26.455 1.294  -2.343  1.00 48.32  ? 306 HOH A O   1 
HETATM 1468 O  O   . HOH F 6 .   ? 28.923 11.916 3.005   1.00 47.14  ? 307 HOH A O   1 
HETATM 1469 O  O   . HOH F 6 .   ? 11.861 16.563 -2.856  1.00 65.22  ? 308 HOH A O   1 
HETATM 1470 O  O   . HOH F 6 .   ? 33.713 3.251  26.149  1.00 52.55  ? 309 HOH A O   1 
HETATM 1471 O  O   . HOH F 6 .   ? 23.293 17.917 8.428   1.00 43.75  ? 310 HOH A O   1 
HETATM 1472 O  O   . HOH F 6 .   ? 27.416 14.087 2.375   1.00 41.32  ? 311 HOH A O   1 
HETATM 1473 O  O   . HOH F 6 .   ? 33.566 4.879  28.201  1.00 59.12  ? 312 HOH A O   1 
HETATM 1474 O  O   . HOH F 6 .   ? 20.514 -0.326 18.492  1.00 43.80  ? 313 HOH A O   1 
HETATM 1475 O  O   . HOH F 6 .   ? 33.412 13.413 -3.928  1.00 43.12  ? 314 HOH A O   1 
HETATM 1476 O  O   . HOH F 6 .   ? 32.748 13.025 7.097   1.00 52.87  ? 315 HOH A O   1 
HETATM 1477 O  O   . HOH F 6 .   ? 36.547 10.244 25.845  1.00 55.06  ? 316 HOH A O   1 
HETATM 1478 O  O   . HOH F 6 .   ? 35.132 16.124 8.338   1.00 54.97  ? 317 HOH A O   1 
HETATM 1479 O  O   . HOH F 6 .   ? 31.293 7.693  3.136   1.00 51.81  ? 318 HOH A O   1 
HETATM 1480 O  O   . HOH F 6 .   ? 35.542 1.520  -0.931  1.00 53.76  ? 319 HOH A O   1 
HETATM 1481 O  O   . HOH F 6 .   ? 17.301 6.554  22.348  1.00 57.53  ? 320 HOH A O   1 
HETATM 1482 O  O   . HOH F 6 .   ? 30.571 16.542 4.828   1.00 54.96  ? 321 HOH A O   1 
HETATM 1483 O  O   . HOH F 6 .   ? 27.323 18.611 1.579   1.00 47.79  ? 322 HOH A O   1 
HETATM 1484 O  O   . HOH F 6 .   ? 19.296 4.864  23.688  1.00 61.16  ? 323 HOH A O   1 
HETATM 1485 O  O   . HOH F 6 .   ? 32.803 22.824 -6.121  1.00 64.17  ? 324 HOH A O   1 
HETATM 1486 O  O   . HOH F 6 .   ? 33.959 19.859 0.429   1.00 67.84  ? 325 HOH A O   1 
# 
