data_9II5
# 
_entry.id   9II5 
# 
_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   9II5         pdb_00009ii5 10.2210/pdb9ii5/pdb 
WWPDB D_1300048790 ?            ?                   
# 
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 2025-05-07 ? 
2 'Structure model' 1 1 2025-05-28 ? 
# 
_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.journal_volume'          
2 2 'Structure model' '_citation.page_first'              
3 2 'Structure model' '_citation.page_last'               
4 2 'Structure model' '_citation_author.identifier_ORCID' 
# 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.entry_id                        9II5 
_pdbx_database_status.recvd_initial_deposition_date   2024-06-19 
_pdbx_database_status.SG_entry                        N 
_pdbx_database_status.deposit_site                    PDBJ 
_pdbx_database_status.process_site                    PDBC 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.status_code_nmr_data            ? 
_pdbx_database_status.methods_development_category    ? 
_pdbx_database_status.pdb_format_compatible           N 
# 
_pdbx_contact_author.id                 2 
_pdbx_contact_author.email              lingogo278027657@gmail.com 
_pdbx_contact_author.name_first         Liyun 
_pdbx_contact_author.name_last          Zhang 
_pdbx_contact_author.name_mi            ? 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0009-0005-0085-254X 
# 
_audit_author.name               'Zhang, L.Y.' 
_audit_author.pdbx_ordinal       1 
_audit_author.identifier_ORCID   0009-0005-0085-254X 
# 
_citation.abstract                  ? 
_citation.abstract_id_CAS           ? 
_citation.book_id_ISBN              ? 
_citation.book_publisher            ? 
_citation.book_publisher_city       ? 
_citation.book_title                ? 
_citation.coordinate_linkage        ? 
_citation.country                   US 
_citation.database_id_Medline       ? 
_citation.details                   ? 
_citation.id                        primary 
_citation.journal_abbrev            'Acs Chem.Biol.' 
_citation.journal_id_ASTM           ? 
_citation.journal_id_CSD            ? 
_citation.journal_id_ISSN           1554-8937 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            20 
_citation.language                  ? 
_citation.page_first                1020 
_citation.page_last                 1028 
_citation.title                     'Chemically Induced Nuclear Pore Complex Protein Degradation via TRIM21.' 
_citation.year                      2025 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      10.1021/acschembio.4c00833 
_citation.pdbx_database_id_PubMed   40247740 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Li, X.'     1  ? 
primary 'Wang, Q.'   2  ? 
primary 'Guo, A.'    3  ? 
primary 'Qiu, Y.'    4  ? 
primary 'Chen, Q.'   5  ? 
primary 'Li, Y.'     6  ? 
primary 'Zhang, L.'  7  ? 
primary 'Guo, Y.'    8  ? 
primary 'Meng, X.'   9  ? 
primary 'Li, S.'     10 ? 
primary 'Liu, G.'    11 ? 
primary 'Zhang, L.'  12 ? 
primary 'Liu, J.'    13 ? 
primary 'Li, X.'     14 ? 
primary 'Cai, L.'    15 ? 
primary 'Cheng, X.'  16 ? 
primary 'Liu, C.'    17 ? 
primary 'Wang, X.'   18 ? 
primary 'Wood, A.'   19 ? 
primary 'Murray, J.' 20 ? 
primary 'Liu, G.'    21 ? 
primary 'Li, J.'     22 ? 
primary 'Huang, X.'  23 ? 
primary 'Dou, D.'    24 ? 
# 
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 'E3 ubiquitin-protein ligase TRIM21'                                                                     
20193.664 1  2.3.2.27 ? ? ? 
2 non-polymer syn '~{N}-[(1-fluoranylcyclohexyl)methyl]-~{N}-methyl-4-(2-methylsulfanylphenyl)-2-methylsulfonyl-benzamide' 449.602 
1  ?        ? ? ? 
3 water       nat water                                                                                                    18.015 
92 ?        ? ? ? 
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        
;52 kDa Ro protein,52 kDa ribonucleoprotein autoantigen Ro/SS-A,RING finger protein 81,Ro(SS-A),Sjoegren syndrome type A antigen,SS-A,Tripartite motif-containing protein 21
;
# 
_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       
;VHITLDPDTANPWLILSEDRRQVRLGDTQQSIPGNEERFDSYPMVLGAQHFHSGKHYWEVDVTGKEAWDLGVCRDSVRRK
GHFLLSSKSGFWTIWLWNKQKYEAGTYPQTPLHLQVPPCQVGIFLDYEAGMVSFYNITDHGSLIYSFSECAFTGPLRPFF
SPGFNDGGKNTAPLTALC
;
_entity_poly.pdbx_seq_one_letter_code_can   
;VHITLDPDTANPWLILSEDRRQVRLGDTQQSIPGNEERFDSYPMVLGAQHFHSGKHYWEVDVTGKEAWDLGVCRDSVRRK
GHFLLSSKSGFWTIWLWNKQKYEAGTYPQTPLHLQVPPCQVGIFLDYEAGMVSFYNITDHGSLIYSFSECAFTGPLRPFF
SPGFNDGGKNTAPLTALC
;
_entity_poly.pdbx_strand_id                 A 
_entity_poly.pdbx_target_identifier         ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
2 '~{N}-[(1-fluoranylcyclohexyl)methyl]-~{N}-methyl-4-(2-methylsulfanylphenyl)-2-methylsulfonyl-benzamide' A1D9F 
3 water                                                                                                    HOH   
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   VAL n 
1 2   HIS n 
1 3   ILE n 
1 4   THR n 
1 5   LEU n 
1 6   ASP n 
1 7   PRO n 
1 8   ASP n 
1 9   THR n 
1 10  ALA n 
1 11  ASN n 
1 12  PRO n 
1 13  TRP n 
1 14  LEU n 
1 15  ILE n 
1 16  LEU n 
1 17  SER n 
1 18  GLU n 
1 19  ASP n 
1 20  ARG n 
1 21  ARG n 
1 22  GLN n 
1 23  VAL n 
1 24  ARG n 
1 25  LEU n 
1 26  GLY n 
1 27  ASP n 
1 28  THR n 
1 29  GLN n 
1 30  GLN n 
1 31  SER n 
1 32  ILE n 
1 33  PRO n 
1 34  GLY n 
1 35  ASN n 
1 36  GLU n 
1 37  GLU n 
1 38  ARG n 
1 39  PHE n 
1 40  ASP n 
1 41  SER n 
1 42  TYR n 
1 43  PRO n 
1 44  MET n 
1 45  VAL n 
1 46  LEU n 
1 47  GLY n 
1 48  ALA n 
1 49  GLN n 
1 50  HIS n 
1 51  PHE n 
1 52  HIS n 
1 53  SER n 
1 54  GLY n 
1 55  LYS n 
1 56  HIS n 
1 57  TYR n 
1 58  TRP n 
1 59  GLU n 
1 60  VAL n 
1 61  ASP n 
1 62  VAL n 
1 63  THR n 
1 64  GLY n 
1 65  LYS n 
1 66  GLU n 
1 67  ALA n 
1 68  TRP n 
1 69  ASP n 
1 70  LEU n 
1 71  GLY n 
1 72  VAL n 
1 73  CYS n 
1 74  ARG n 
1 75  ASP n 
1 76  SER n 
1 77  VAL n 
1 78  ARG n 
1 79  ARG n 
1 80  LYS n 
1 81  GLY n 
1 82  HIS n 
1 83  PHE n 
1 84  LEU n 
1 85  LEU n 
1 86  SER n 
1 87  SER n 
1 88  LYS n 
1 89  SER n 
1 90  GLY n 
1 91  PHE n 
1 92  TRP n 
1 93  THR n 
1 94  ILE n 
1 95  TRP n 
1 96  LEU n 
1 97  TRP n 
1 98  ASN n 
1 99  LYS n 
1 100 GLN n 
1 101 LYS n 
1 102 TYR n 
1 103 GLU n 
1 104 ALA n 
1 105 GLY n 
1 106 THR n 
1 107 TYR n 
1 108 PRO n 
1 109 GLN n 
1 110 THR n 
1 111 PRO n 
1 112 LEU n 
1 113 HIS n 
1 114 LEU n 
1 115 GLN n 
1 116 VAL n 
1 117 PRO n 
1 118 PRO n 
1 119 CYS n 
1 120 GLN n 
1 121 VAL n 
1 122 GLY n 
1 123 ILE n 
1 124 PHE n 
1 125 LEU n 
1 126 ASP n 
1 127 TYR n 
1 128 GLU n 
1 129 ALA n 
1 130 GLY n 
1 131 MET n 
1 132 VAL n 
1 133 SER n 
1 134 PHE n 
1 135 TYR n 
1 136 ASN n 
1 137 ILE n 
1 138 THR n 
1 139 ASP n 
1 140 HIS n 
1 141 GLY n 
1 142 SER n 
1 143 LEU n 
1 144 ILE n 
1 145 TYR n 
1 146 SER n 
1 147 PHE n 
1 148 SER n 
1 149 GLU n 
1 150 CYS n 
1 151 ALA n 
1 152 PHE n 
1 153 THR n 
1 154 GLY n 
1 155 PRO n 
1 156 LEU n 
1 157 ARG n 
1 158 PRO n 
1 159 PHE n 
1 160 PHE n 
1 161 SER n 
1 162 PRO n 
1 163 GLY n 
1 164 PHE n 
1 165 ASN n 
1 166 ASP n 
1 167 GLY n 
1 168 GLY n 
1 169 LYS n 
1 170 ASN n 
1 171 THR n 
1 172 ALA n 
1 173 PRO n 
1 174 LEU n 
1 175 THR n 
1 176 ALA n 
1 177 LEU n 
1 178 CYS n 
# 
_entity_src_gen.entity_id                          1 
_entity_src_gen.pdbx_src_id                        1 
_entity_src_gen.pdbx_alt_source_flag               sample 
_entity_src_gen.pdbx_seq_type                      'Biological sequence' 
_entity_src_gen.pdbx_beg_seq_num                   1 
_entity_src_gen.pdbx_end_seq_num                   178 
_entity_src_gen.gene_src_common_name               human 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 'TRIM21, RNF81, RO52, SSA1' 
_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      'Homo sapiens' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     9606 
_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               human 
_entity_src_gen.pdbx_host_org_scientific_name      'Homo sapiens' 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     9606 
_entity_src_gen.host_org_genus                     ? 
_entity_src_gen.pdbx_host_org_gene                 ? 
_entity_src_gen.pdbx_host_org_organ                ? 
_entity_src_gen.host_org_species                   ? 
_entity_src_gen.pdbx_host_org_tissue               ? 
_entity_src_gen.pdbx_host_org_tissue_fraction      ? 
_entity_src_gen.pdbx_host_org_strain               ? 
_entity_src_gen.pdbx_host_org_variant              ? 
_entity_src_gen.pdbx_host_org_cell_line            ? 
_entity_src_gen.pdbx_host_org_atcc                 ? 
_entity_src_gen.pdbx_host_org_culture_collection   ? 
_entity_src_gen.pdbx_host_org_cell                 ? 
_entity_src_gen.pdbx_host_org_organelle            ? 
_entity_src_gen.pdbx_host_org_cellular_location    ? 
_entity_src_gen.pdbx_host_org_vector_type          ? 
_entity_src_gen.pdbx_host_org_vector               ? 
_entity_src_gen.host_org_details                   ? 
_entity_src_gen.expression_system_id               ? 
_entity_src_gen.plasmid_name                       ? 
_entity_src_gen.plasmid_details                    ? 
_entity_src_gen.pdbx_description                   ? 
# 
loop_
_chem_comp.id 
_chem_comp.type 
_chem_comp.mon_nstd_flag 
_chem_comp.name 
_chem_comp.pdbx_synonyms 
_chem_comp.formula 
_chem_comp.formula_weight 
A1D9F non-polymer         . 
'~{N}-[(1-fluoranylcyclohexyl)methyl]-~{N}-methyl-4-(2-methylsulfanylphenyl)-2-methylsulfonyl-benzamide' ? 'C23 H28 F N O3 S2' 
449.602 
ALA   'L-peptide linking' y ALANINE ? 'C3 H7 N O2'        89.093  
ARG   'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1'    175.209 
ASN   'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3'       132.118 
ASP   'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4'        133.103 
CYS   'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S'      121.158 
GLN   'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3'      146.144 
GLU   'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4'        147.129 
GLY   'peptide linking'   y GLYCINE ? 'C2 H5 N O2'        75.067  
HIS   'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1'    156.162 
HOH   non-polymer         . WATER ? 'H2 O'              18.015  
ILE   'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2'       131.173 
LEU   'L-peptide linking' y LEUCINE ? 'C6 H13 N O2'       131.173 
LYS   'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1'    147.195 
MET   'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S'     149.211 
PHE   'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2'       165.189 
PRO   'L-peptide linking' y PROLINE ? 'C5 H9 N O2'        115.130 
SER   'L-peptide linking' y SERINE ? 'C3 H7 N O3'        105.093 
THR   'L-peptide linking' y THREONINE ? 'C4 H9 N O3'        119.119 
TRP   'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2'     204.225 
TYR   'L-peptide linking' y TYROSINE ? 'C9 H11 N O3'       181.189 
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   VAL 1   287 287 VAL VAL A . n 
A 1 2   HIS 2   288 288 HIS HIS A . n 
A 1 3   ILE 3   289 289 ILE ILE A . n 
A 1 4   THR 4   290 290 THR THR A . n 
A 1 5   LEU 5   291 291 LEU LEU A . n 
A 1 6   ASP 6   292 292 ASP ASP A . n 
A 1 7   PRO 7   293 293 PRO PRO A . n 
A 1 8   ASP 8   294 294 ASP ASP A . n 
A 1 9   THR 9   295 295 THR THR A . n 
A 1 10  ALA 10  296 296 ALA ALA A . n 
A 1 11  ASN 11  297 297 ASN ASN A . n 
A 1 12  PRO 12  298 298 PRO PRO A . n 
A 1 13  TRP 13  299 299 TRP TRP A . n 
A 1 14  LEU 14  300 300 LEU LEU A . n 
A 1 15  ILE 15  301 301 ILE ILE A . n 
A 1 16  LEU 16  302 302 LEU LEU A . n 
A 1 17  SER 17  303 303 SER SER A . n 
A 1 18  GLU 18  304 304 GLU GLU A . n 
A 1 19  ASP 19  305 305 ASP ASP A . n 
A 1 20  ARG 20  306 306 ARG ARG A . n 
A 1 21  ARG 21  307 307 ARG ARG A . n 
A 1 22  GLN 22  308 308 GLN GLN A . n 
A 1 23  VAL 23  309 309 VAL VAL A . n 
A 1 24  ARG 24  310 310 ARG ARG A . n 
A 1 25  LEU 25  311 311 LEU LEU A . n 
A 1 26  GLY 26  312 312 GLY GLY A . n 
A 1 27  ASP 27  313 313 ASP ASP A . n 
A 1 28  THR 28  314 314 THR THR A . n 
A 1 29  GLN 29  315 315 GLN GLN A . n 
A 1 30  GLN 30  316 316 GLN GLN A . n 
A 1 31  SER 31  317 317 SER SER A . n 
A 1 32  ILE 32  318 318 ILE ILE A . n 
A 1 33  PRO 33  319 319 PRO PRO A . n 
A 1 34  GLY 34  320 320 GLY GLY A . n 
A 1 35  ASN 35  321 321 ASN ASN A . n 
A 1 36  GLU 36  322 322 GLU GLU A . n 
A 1 37  GLU 37  323 323 GLU GLU A . n 
A 1 38  ARG 38  324 324 ARG ARG A . n 
A 1 39  PHE 39  325 325 PHE PHE A . n 
A 1 40  ASP 40  326 326 ASP ASP A . n 
A 1 41  SER 41  327 327 SER SER A . n 
A 1 42  TYR 42  328 328 TYR TYR A . n 
A 1 43  PRO 43  329 329 PRO PRO A . n 
A 1 44  MET 44  330 330 MET MET A . n 
A 1 45  VAL 45  331 331 VAL VAL A . n 
A 1 46  LEU 46  332 332 LEU LEU A . n 
A 1 47  GLY 47  333 333 GLY GLY A . n 
A 1 48  ALA 48  334 334 ALA ALA A . n 
A 1 49  GLN 49  335 335 GLN GLN A . n 
A 1 50  HIS 50  336 336 HIS HIS A . n 
A 1 51  PHE 51  337 337 PHE PHE A . n 
A 1 52  HIS 52  338 338 HIS HIS A . n 
A 1 53  SER 53  339 339 SER SER A . n 
A 1 54  GLY 54  340 340 GLY GLY A . n 
A 1 55  LYS 55  341 341 LYS LYS A . n 
A 1 56  HIS 56  342 342 HIS HIS A . n 
A 1 57  TYR 57  343 343 TYR TYR A . n 
A 1 58  TRP 58  344 344 TRP TRP A . n 
A 1 59  GLU 59  345 345 GLU GLU A . n 
A 1 60  VAL 60  346 346 VAL VAL A . n 
A 1 61  ASP 61  347 347 ASP ASP A . n 
A 1 62  VAL 62  348 348 VAL VAL A . n 
A 1 63  THR 63  349 349 THR THR A . n 
A 1 64  GLY 64  350 350 GLY GLY A . n 
A 1 65  LYS 65  351 351 LYS LYS A . n 
A 1 66  GLU 66  352 352 GLU GLU A . n 
A 1 67  ALA 67  353 353 ALA ALA A . n 
A 1 68  TRP 68  354 354 TRP TRP A . n 
A 1 69  ASP 69  355 355 ASP ASP A . n 
A 1 70  LEU 70  356 356 LEU LEU A . n 
A 1 71  GLY 71  357 357 GLY GLY A . n 
A 1 72  VAL 72  358 358 VAL VAL A . n 
A 1 73  CYS 73  359 359 CYS CYS A . n 
A 1 74  ARG 74  360 360 ARG ARG A . n 
A 1 75  ASP 75  361 361 ASP ASP A . n 
A 1 76  SER 76  362 362 SER SER A . n 
A 1 77  VAL 77  363 363 VAL VAL A . n 
A 1 78  ARG 78  364 364 ARG ARG A . n 
A 1 79  ARG 79  365 365 ARG ARG A . n 
A 1 80  LYS 80  366 366 LYS LYS A . n 
A 1 81  GLY 81  367 367 GLY GLY A . n 
A 1 82  HIS 82  368 368 HIS HIS A . n 
A 1 83  PHE 83  369 369 PHE PHE A . n 
A 1 84  LEU 84  370 370 LEU LEU A . n 
A 1 85  LEU 85  371 371 LEU LEU A . n 
A 1 86  SER 86  372 372 SER SER A . n 
A 1 87  SER 87  373 373 SER SER A . n 
A 1 88  LYS 88  374 374 LYS LYS A . n 
A 1 89  SER 89  375 375 SER SER A . n 
A 1 90  GLY 90  376 376 GLY GLY A . n 
A 1 91  PHE 91  377 377 PHE PHE A . n 
A 1 92  TRP 92  378 378 TRP TRP A . n 
A 1 93  THR 93  379 379 THR THR A . n 
A 1 94  ILE 94  380 380 ILE ILE A . n 
A 1 95  TRP 95  381 381 TRP TRP A . n 
A 1 96  LEU 96  382 382 LEU LEU A . n 
A 1 97  TRP 97  383 383 TRP TRP A . n 
A 1 98  ASN 98  384 384 ASN ASN A . n 
A 1 99  LYS 99  385 385 LYS LYS A . n 
A 1 100 GLN 100 386 386 GLN GLN A . n 
A 1 101 LYS 101 387 387 LYS LYS A . n 
A 1 102 TYR 102 388 388 TYR TYR A . n 
A 1 103 GLU 103 389 389 GLU GLU A . n 
A 1 104 ALA 104 390 390 ALA ALA A . n 
A 1 105 GLY 105 391 391 GLY GLY A . n 
A 1 106 THR 106 392 392 THR THR A . n 
A 1 107 TYR 107 393 393 TYR TYR A . n 
A 1 108 PRO 108 394 394 PRO PRO A . n 
A 1 109 GLN 109 395 395 GLN GLN A . n 
A 1 110 THR 110 396 396 THR THR A . n 
A 1 111 PRO 111 397 397 PRO PRO A . n 
A 1 112 LEU 112 398 398 LEU LEU A . n 
A 1 113 HIS 113 399 399 HIS HIS A . n 
A 1 114 LEU 114 400 400 LEU LEU A . n 
A 1 115 GLN 115 401 401 GLN GLN A . n 
A 1 116 VAL 116 402 402 VAL VAL A . n 
A 1 117 PRO 117 403 403 PRO PRO A . n 
A 1 118 PRO 118 404 404 PRO PRO A . n 
A 1 119 CYS 119 405 405 CYS CYS A . n 
A 1 120 GLN 120 406 406 GLN GLN A . n 
A 1 121 VAL 121 407 407 VAL VAL A . n 
A 1 122 GLY 122 408 408 GLY GLY A . n 
A 1 123 ILE 123 409 409 ILE ILE A . n 
A 1 124 PHE 124 410 410 PHE PHE A . n 
A 1 125 LEU 125 411 411 LEU LEU A . n 
A 1 126 ASP 126 412 412 ASP ASP A . n 
A 1 127 TYR 127 413 413 TYR TYR A . n 
A 1 128 GLU 128 414 414 GLU GLU A . n 
A 1 129 ALA 129 415 415 ALA ALA A . n 
A 1 130 GLY 130 416 416 GLY GLY A . n 
A 1 131 MET 131 417 417 MET MET A . n 
A 1 132 VAL 132 418 418 VAL VAL A . n 
A 1 133 SER 133 419 419 SER SER A . n 
A 1 134 PHE 134 420 420 PHE PHE A . n 
A 1 135 TYR 135 421 421 TYR TYR A . n 
A 1 136 ASN 136 422 422 ASN ASN A . n 
A 1 137 ILE 137 423 423 ILE ILE A . n 
A 1 138 THR 138 424 424 THR THR A . n 
A 1 139 ASP 139 425 425 ASP ASP A . n 
A 1 140 HIS 140 426 426 HIS HIS A . n 
A 1 141 GLY 141 427 427 GLY GLY A . n 
A 1 142 SER 142 428 428 SER SER A . n 
A 1 143 LEU 143 429 429 LEU LEU A . n 
A 1 144 ILE 144 430 430 ILE ILE A . n 
A 1 145 TYR 145 431 431 TYR TYR A . n 
A 1 146 SER 146 432 432 SER SER A . n 
A 1 147 PHE 147 433 433 PHE PHE A . n 
A 1 148 SER 148 434 434 SER SER A . n 
A 1 149 GLU 149 435 435 GLU GLU A . n 
A 1 150 CYS 150 436 436 CYS CYS A . n 
A 1 151 ALA 151 437 437 ALA ALA A . n 
A 1 152 PHE 152 438 438 PHE PHE A . n 
A 1 153 THR 153 439 439 THR THR A . n 
A 1 154 GLY 154 440 440 GLY GLY A . n 
A 1 155 PRO 155 441 441 PRO PRO A . n 
A 1 156 LEU 156 442 442 LEU LEU A . n 
A 1 157 ARG 157 443 443 ARG ARG A . n 
A 1 158 PRO 158 444 444 PRO PRO A . n 
A 1 159 PHE 159 445 445 PHE PHE A . n 
A 1 160 PHE 160 446 446 PHE PHE A . n 
A 1 161 SER 161 447 447 SER SER A . n 
A 1 162 PRO 162 448 448 PRO PRO A . n 
A 1 163 GLY 163 449 449 GLY GLY A . n 
A 1 164 PHE 164 450 450 PHE PHE A . n 
A 1 165 ASN 165 451 451 ASN ASN A . n 
A 1 166 ASP 166 452 452 ASP ASP A . n 
A 1 167 GLY 167 453 453 GLY GLY A . n 
A 1 168 GLY 168 454 454 GLY GLY A . n 
A 1 169 LYS 169 455 455 LYS LYS A . n 
A 1 170 ASN 170 456 456 ASN ASN A . n 
A 1 171 THR 171 457 457 THR THR A . n 
A 1 172 ALA 172 458 458 ALA ALA A . n 
A 1 173 PRO 173 459 459 PRO PRO A . n 
A 1 174 LEU 174 460 460 LEU LEU A . n 
A 1 175 THR 175 461 461 THR THR A . n 
A 1 176 ALA 176 462 462 ALA ALA A . n 
A 1 177 LEU 177 463 463 LEU LEU A . n 
A 1 178 CYS 178 464 464 CYS CYS A . n 
# 
_pdbx_entity_instance_feature.ordinal        1 
_pdbx_entity_instance_feature.comp_id        A1D9F 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   A1D9F 
_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 A1D9F 1  501 1  A1D9F LIG A . 
C 3 HOH   1  601 83 HOH   HOH A . 
C 3 HOH   2  602 58 HOH   HOH A . 
C 3 HOH   3  603 47 HOH   HOH A . 
C 3 HOH   4  604 54 HOH   HOH A . 
C 3 HOH   5  605 36 HOH   HOH A . 
C 3 HOH   6  606 60 HOH   HOH A . 
C 3 HOH   7  607 82 HOH   HOH A . 
C 3 HOH   8  608 7  HOH   HOH A . 
C 3 HOH   9  609 23 HOH   HOH A . 
C 3 HOH   10 610 81 HOH   HOH A . 
C 3 HOH   11 611 17 HOH   HOH A . 
C 3 HOH   12 612 15 HOH   HOH A . 
C 3 HOH   13 613 27 HOH   HOH A . 
C 3 HOH   14 614 32 HOH   HOH A . 
C 3 HOH   15 615 65 HOH   HOH A . 
C 3 HOH   16 616 52 HOH   HOH A . 
C 3 HOH   17 617 72 HOH   HOH A . 
C 3 HOH   18 618 39 HOH   HOH A . 
C 3 HOH   19 619 87 HOH   HOH A . 
C 3 HOH   20 620 40 HOH   HOH A . 
C 3 HOH   21 621 73 HOH   HOH A . 
C 3 HOH   22 622 67 HOH   HOH A . 
C 3 HOH   23 623 88 HOH   HOH A . 
C 3 HOH   24 624 46 HOH   HOH A . 
C 3 HOH   25 625 18 HOH   HOH A . 
C 3 HOH   26 626 50 HOH   HOH A . 
C 3 HOH   27 627 68 HOH   HOH A . 
C 3 HOH   28 628 49 HOH   HOH A . 
C 3 HOH   29 629 78 HOH   HOH A . 
C 3 HOH   30 630 16 HOH   HOH A . 
C 3 HOH   31 631 19 HOH   HOH A . 
C 3 HOH   32 632 24 HOH   HOH A . 
C 3 HOH   33 633 66 HOH   HOH A . 
C 3 HOH   34 634 71 HOH   HOH A . 
C 3 HOH   35 635 25 HOH   HOH A . 
C 3 HOH   36 636 85 HOH   HOH A . 
C 3 HOH   37 637 38 HOH   HOH A . 
C 3 HOH   38 638 26 HOH   HOH A . 
C 3 HOH   39 639 22 HOH   HOH A . 
C 3 HOH   40 640 69 HOH   HOH A . 
C 3 HOH   41 641 20 HOH   HOH A . 
C 3 HOH   42 642 28 HOH   HOH A . 
C 3 HOH   43 643 55 HOH   HOH A . 
C 3 HOH   44 644 59 HOH   HOH A . 
C 3 HOH   45 645 62 HOH   HOH A . 
C 3 HOH   46 646 2  HOH   HOH A . 
C 3 HOH   47 647 74 HOH   HOH A . 
C 3 HOH   48 648 63 HOH   HOH A . 
C 3 HOH   49 649 29 HOH   HOH A . 
C 3 HOH   50 650 33 HOH   HOH A . 
C 3 HOH   51 651 42 HOH   HOH A . 
C 3 HOH   52 652 57 HOH   HOH A . 
C 3 HOH   53 653 31 HOH   HOH A . 
C 3 HOH   54 654 53 HOH   HOH A . 
C 3 HOH   55 655 56 HOH   HOH A . 
C 3 HOH   56 656 34 HOH   HOH A . 
C 3 HOH   57 657 64 HOH   HOH A . 
C 3 HOH   58 658 10 HOH   HOH A . 
C 3 HOH   59 659 12 HOH   HOH A . 
C 3 HOH   60 660 96 HOH   HOH A . 
C 3 HOH   61 661 43 HOH   HOH A . 
C 3 HOH   62 662 95 HOH   HOH A . 
C 3 HOH   63 663 61 HOH   HOH A . 
C 3 HOH   64 664 51 HOH   HOH A . 
C 3 HOH   65 665 37 HOH   HOH A . 
C 3 HOH   66 666 93 HOH   HOH A . 
C 3 HOH   67 667 75 HOH   HOH A . 
C 3 HOH   68 668 6  HOH   HOH A . 
C 3 HOH   69 669 8  HOH   HOH A . 
C 3 HOH   70 670 76 HOH   HOH A . 
C 3 HOH   71 671 11 HOH   HOH A . 
C 3 HOH   72 672 5  HOH   HOH A . 
C 3 HOH   73 673 9  HOH   HOH A . 
C 3 HOH   74 674 3  HOH   HOH A . 
C 3 HOH   75 675 94 HOH   HOH A . 
C 3 HOH   76 676 4  HOH   HOH A . 
C 3 HOH   77 677 13 HOH   HOH A . 
C 3 HOH   78 678 14 HOH   HOH A . 
C 3 HOH   79 679 30 HOH   HOH A . 
C 3 HOH   80 680 45 HOH   HOH A . 
C 3 HOH   81 681 1  HOH   HOH A . 
C 3 HOH   82 682 48 HOH   HOH A . 
C 3 HOH   83 683 84 HOH   HOH A . 
C 3 HOH   84 684 79 HOH   HOH A . 
C 3 HOH   85 685 44 HOH   HOH A . 
C 3 HOH   86 686 86 HOH   HOH A . 
C 3 HOH   87 687 21 HOH   HOH A . 
C 3 HOH   88 688 90 HOH   HOH A . 
C 3 HOH   89 689 70 HOH   HOH A . 
C 3 HOH   90 690 89 HOH   HOH A . 
C 3 HOH   91 691 91 HOH   HOH A . 
C 3 HOH   92 692 92 HOH   HOH A . 
# 
loop_
_software.citation_id 
_software.classification 
_software.compiler_name 
_software.compiler_version 
_software.contact_author 
_software.contact_author_email 
_software.date 
_software.description 
_software.dependencies 
_software.hardware 
_software.language 
_software.location 
_software.mods 
_software.name 
_software.os 
_software.os_version 
_software.type 
_software.version 
_software.pdbx_ordinal 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? xia2   ? ? ? .           1 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? xia2   ? ? ? .           2 
? phasing          ? ? ? ? ? ? ? ? ? ? ? MOLREP ? ? ? .           3 
? refinement       ? ? ? ? ? ? ? ? ? ? ? PHENIX ? ? ? 1.19.2_4158 4 
# 
_cell.angle_alpha                  90.000 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   90.000 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  120.000 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     9II5 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     65.340 
_cell.length_a_esd                 ? 
_cell.length_b                     65.340 
_cell.length_b_esd                 ? 
_cell.length_c                     71.510 
_cell.length_c_esd                 ? 
_cell.volume                       264396.481 
_cell.volume_esd                   ? 
_cell.Z_PDB                        6 
_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                         9II5 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                171 
_symmetry.space_group_name_Hall            'P 62' 
_symmetry.space_group_name_H-M             'P 62' 
_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                   9II5 
_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             2.18 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          43.63 
_exptl_crystal.description                  ? 
_exptl_crystal.F_000                        ? 
_exptl_crystal.id                           1 
_exptl_crystal.preparation                  ? 
_exptl_crystal.size_max                     ? 
_exptl_crystal.size_mid                     ? 
_exptl_crystal.size_min                     ? 
_exptl_crystal.size_rad                     ? 
_exptl_crystal.colour_lustre                ? 
_exptl_crystal.colour_modifier              ? 
_exptl_crystal.colour_primary               ? 
_exptl_crystal.density_meas                 ? 
_exptl_crystal.density_meas_esd             ? 
_exptl_crystal.density_meas_gt              ? 
_exptl_crystal.density_meas_lt              ? 
_exptl_crystal.density_meas_temp            ? 
_exptl_crystal.density_meas_temp_esd        ? 
_exptl_crystal.density_meas_temp_gt         ? 
_exptl_crystal.density_meas_temp_lt         ? 
_exptl_crystal.pdbx_crystal_image_url       ? 
_exptl_crystal.pdbx_crystal_image_format    ? 
_exptl_crystal.pdbx_mosaicity               ? 
_exptl_crystal.pdbx_mosaicity_esd           ? 
_exptl_crystal.pdbx_mosaic_method           ? 
_exptl_crystal.pdbx_mosaic_block_size       ? 
_exptl_crystal.pdbx_mosaic_block_size_esd   ? 
# 
_exptl_crystal_grow.apparatus       ? 
_exptl_crystal_grow.atmosphere      ? 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.details         ? 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, SITTING DROP' 
_exptl_crystal_grow.method_ref      ? 
_exptl_crystal_grow.pH              3.5 
_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    
;1. Cryo buffer: 80 uL TRIM21  (Reservoir Solution: 0.1 M Cirtic, pH 3.5, 3 M NaCl) + 20 uL glycerol
2. Soaked crystals in cryo buffer for 10s
;
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            291 
# 
_diffrn.ambient_environment              ? 
_diffrn.ambient_temp                     291 
_diffrn.ambient_temp_details             ? 
_diffrn.ambient_temp_esd                 ? 
_diffrn.crystal_id                       1 
_diffrn.crystal_support                  ? 
_diffrn.crystal_treatment                ? 
_diffrn.details                          ? 
_diffrn.id                               1 
_diffrn.ambient_pressure                 ? 
_diffrn.ambient_pressure_esd             ? 
_diffrn.ambient_pressure_gt              ? 
_diffrn.ambient_pressure_lt              ? 
_diffrn.ambient_temp_gt                  ? 
_diffrn.ambient_temp_lt                  ? 
_diffrn.pdbx_serial_crystal_experiment   N 
# 
_diffrn_detector.details                      ? 
_diffrn_detector.detector                     PIXEL 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         'DECTRIS PILATUS3 6M' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2023-04-23 
_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   0.979183 
_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                        'SSRF BEAMLINE BL18U1' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        0.979183 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   BL18U1 
_diffrn_source.pdbx_synchrotron_site       SSRF 
# 
_reflns.B_iso_Wilson_estimate                          22.79 
_reflns.entry_id                                       9II5 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.49 
_reflns.d_resolution_low                               26.31 
_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                                     28307 
_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                                9.9 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          20.3 
_reflns.pdbx_res_netI_over_av_sigmaI_2                 ? 
_reflns.pdbx_res_netI_over_sigmaI_2                    ? 
_reflns.pdbx_chi_squared                               ? 
_reflns.pdbx_scaling_rejects                           ? 
_reflns.pdbx_d_res_high_opt                            ? 
_reflns.pdbx_d_res_low_opt                             ? 
_reflns.pdbx_d_res_opt_method                          ? 
_reflns.phase_calculation_details                      ? 
_reflns.pdbx_Rrim_I_all                                ? 
_reflns.pdbx_Rpim_I_all                                ? 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       ? 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   1.000 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              0.048 
_reflns.pdbx_Rmerge_I_all                              ? 
_reflns.pdbx_Rsym_value                                ? 
_reflns.pdbx_CC_split_method                           ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_1                 ? 
_reflns.pdbx_aniso_diffraction_limit_2                 ? 
_reflns.pdbx_aniso_diffraction_limit_3                 ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_1               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_2               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_3               ? 
_reflns.pdbx_orthogonalization_convention              ? 
_reflns.pdbx_percent_possible_ellipsoidal              ? 
_reflns.pdbx_percent_possible_spherical                ? 
_reflns.pdbx_percent_possible_ellipsoidal_anomalous    ? 
_reflns.pdbx_percent_possible_spherical_anomalous      ? 
_reflns.pdbx_redundancy_anomalous                      ? 
_reflns.pdbx_CC_half_anomalous                         ? 
_reflns.pdbx_absDiff_over_sigma_anomalous              ? 
_reflns.pdbx_percent_possible_anomalous                ? 
_reflns.pdbx_observed_signal_threshold                 ? 
_reflns.pdbx_signal_type                               ? 
_reflns.pdbx_signal_details                            ? 
_reflns.pdbx_signal_software_id                        ? 
# 
_reflns_shell.d_res_high                                    1.49 
_reflns_shell.d_res_low                                     1.53 
_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                             2052 
_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                               9.4 
_reflns_shell.pdbx_chi_squared                              ? 
_reflns_shell.pdbx_netI_over_sigmaI_all                     ? 
_reflns_shell.pdbx_netI_over_sigmaI_obs                     ? 
_reflns_shell.pdbx_Rrim_I_all                               ? 
_reflns_shell.pdbx_Rpim_I_all                               ? 
_reflns_shell.pdbx_rejects                                  ? 
_reflns_shell.pdbx_ordinal                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  0.550 
_reflns_shell.pdbx_CC_star                                  ? 
_reflns_shell.pdbx_R_split                                  ? 
_reflns_shell.percent_possible_all                          99.6 
_reflns_shell.Rmerge_I_all                                  ? 
_reflns_shell.Rmerge_I_obs                                  1.277 
_reflns_shell.pdbx_Rsym_value                               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal             ? 
_reflns_shell.pdbx_percent_possible_spherical               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal_anomalous   ? 
_reflns_shell.pdbx_percent_possible_spherical_anomalous     ? 
_reflns_shell.pdbx_redundancy_anomalous                     ? 
_reflns_shell.pdbx_CC_half_anomalous                        ? 
_reflns_shell.pdbx_absDiff_over_sigma_anomalous             ? 
_reflns_shell.pdbx_percent_possible_anomalous               ? 
# 
_refine.aniso_B[1][1]                            ? 
_refine.aniso_B[1][2]                            ? 
_refine.aniso_B[1][3]                            ? 
_refine.aniso_B[2][2]                            ? 
_refine.aniso_B[2][3]                            ? 
_refine.aniso_B[3][3]                            ? 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               27.24 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               ? 
_refine.correlation_coeff_Fo_to_Fc_free          ? 
_refine.details                                  ? 
_refine.diff_density_max                         ? 
_refine.diff_density_max_esd                     ? 
_refine.diff_density_min                         ? 
_refine.diff_density_min_esd                     ? 
_refine.diff_density_rms                         ? 
_refine.diff_density_rms_esd                     ? 
_refine.entry_id                                 9II5 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_abs_structure_details                 ? 
_refine.ls_abs_structure_Flack                   ? 
_refine.ls_abs_structure_Flack_esd               ? 
_refine.ls_abs_structure_Rogers                  ? 
_refine.ls_abs_structure_Rogers_esd              ? 
_refine.ls_d_res_high                            1.49 
_refine.ls_d_res_low                             24.12 
_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                     28282 
_refine.ls_number_reflns_R_free                  1388 
_refine.ls_number_reflns_R_work                  26894 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.90 
_refine.ls_percent_reflns_R_free                 4.91 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.2136 
_refine.ls_R_factor_R_free                       0.2397 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.2123 
_refine.ls_R_Fsqd_factor_obs                     ? 
_refine.ls_R_I_factor_obs                        ? 
_refine.ls_redundancy_reflns_all                 ? 
_refine.ls_redundancy_reflns_obs                 ? 
_refine.ls_restrained_S_all                      ? 
_refine.ls_restrained_S_obs                      ? 
_refine.ls_shift_over_esd_max                    ? 
_refine.ls_shift_over_esd_mean                   ? 
_refine.ls_structure_factor_coef                 ? 
_refine.ls_weighting_details                     ? 
_refine.ls_weighting_scheme                      ? 
_refine.ls_wR_factor_all                         ? 
_refine.ls_wR_factor_obs                         ? 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_wR_factor_R_work                      ? 
_refine.occupancy_max                            ? 
_refine.occupancy_min                            ? 
_refine.solvent_model_details                    'FLAT BULK SOLVENT MODEL' 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_R_complete                          ? 
_refine.ls_R_factor_gt                           ? 
_refine.ls_goodness_of_fit_gt                    ? 
_refine.ls_goodness_of_fit_ref                   ? 
_refine.ls_shift_over_su_max                     ? 
_refine.ls_shift_over_su_max_lt                  ? 
_refine.ls_shift_over_su_mean                    ? 
_refine.ls_shift_over_su_mean_lt                 ? 
_refine.pdbx_ls_sigma_I                          ? 
_refine.pdbx_ls_sigma_F                          1.94 
_refine.pdbx_ls_sigma_Fsqd                       ? 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.pdbx_ls_cross_valid_method               'FREE R-VALUE' 
_refine.pdbx_method_to_determine_struct          'MOLECULAR REPLACEMENT' 
_refine.pdbx_starting_model                      ? 
_refine.pdbx_stereochemistry_target_values       'GeoStd + Monomer Library + CDL v1.2' 
_refine.pdbx_R_Free_selection_details            ? 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_overall_ESU_R                       ? 
_refine.pdbx_overall_ESU_R_Free                  ? 
_refine.pdbx_solvent_vdw_probe_radii             1.1100 
_refine.pdbx_solvent_ion_probe_radii             ? 
_refine.pdbx_solvent_shrinkage_radii             0.9000 
_refine.pdbx_real_space_R                        ? 
_refine.pdbx_density_correlation                 ? 
_refine.pdbx_pd_number_of_powder_patterns        ? 
_refine.pdbx_pd_number_of_points                 ? 
_refine.pdbx_pd_meas_number_of_points            ? 
_refine.pdbx_pd_proc_ls_prof_R_factor            ? 
_refine.pdbx_pd_proc_ls_prof_wR_factor           ? 
_refine.pdbx_pd_Marquardt_correlation_coeff      ? 
_refine.pdbx_pd_Fsqrd_R_factor                   ? 
_refine.pdbx_pd_ls_matrix_band_width             ? 
_refine.pdbx_overall_phase_error                 27.7720 
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI   ? 
_refine.pdbx_overall_SU_R_free_Blow_DPI          ? 
_refine.pdbx_overall_SU_R_Blow_DPI               ? 
_refine.pdbx_TLS_residual_ADP_flag               ? 
_refine.pdbx_diffrn_id                           1 
_refine.overall_SU_B                             ? 
_refine.overall_SU_ML                            0.1816 
_refine.overall_SU_R_Cruickshank_DPI             ? 
_refine.overall_SU_R_free                        ? 
_refine.overall_FOM_free_R_set                   ? 
_refine.overall_FOM_work_R_set                   ? 
_refine.pdbx_average_fsc_overall                 ? 
_refine.pdbx_average_fsc_work                    ? 
_refine.pdbx_average_fsc_free                    ? 
# 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.cycle_id                         LAST 
_refine_hist.details                          ? 
_refine_hist.d_res_high                       1.49 
_refine_hist.d_res_low                        24.12 
_refine_hist.number_atoms_solvent             92 
_refine_hist.number_atoms_total               1549 
_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        1427 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         30 
_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' ? 0.0067 ? 1507 ? f_bond_d           ? ? 
'X-RAY DIFFRACTION' ? 0.9804 ? 2056 ? f_angle_d          ? ? 
'X-RAY DIFFRACTION' ? 0.0932 ? 207  ? f_chiral_restr     ? ? 
'X-RAY DIFFRACTION' ? 0.0080 ? 264  ? f_plane_restr      ? ? 
'X-RAY DIFFRACTION' ? 6.7145 ? 201  ? f_dihedral_angle_d ? ? 
# 
loop_
_refine_ls_shell.pdbx_refine_id 
_refine_ls_shell.d_res_high 
_refine_ls_shell.d_res_low 
_refine_ls_shell.number_reflns_all 
_refine_ls_shell.number_reflns_obs 
_refine_ls_shell.number_reflns_R_free 
_refine_ls_shell.number_reflns_R_work 
_refine_ls_shell.percent_reflns_obs 
_refine_ls_shell.percent_reflns_R_free 
_refine_ls_shell.R_factor_all 
_refine_ls_shell.R_factor_obs 
_refine_ls_shell.R_factor_R_free_error 
_refine_ls_shell.R_factor_R_work 
_refine_ls_shell.redundancy_reflns_all 
_refine_ls_shell.redundancy_reflns_obs 
_refine_ls_shell.wR_factor_all 
_refine_ls_shell.wR_factor_obs 
_refine_ls_shell.wR_factor_R_free 
_refine_ls_shell.wR_factor_R_work 
_refine_ls_shell.pdbx_R_complete 
_refine_ls_shell.pdbx_total_number_of_bins_used 
_refine_ls_shell.pdbx_phase_error 
_refine_ls_shell.pdbx_fsc_work 
_refine_ls_shell.pdbx_fsc_free 
_refine_ls_shell.R_factor_R_free 
'X-RAY DIFFRACTION' 1.49 1.54  . . 139 2627 99.71  . . . . 0.2768 . . . . . . . . . . . 0.3058 
'X-RAY DIFFRACTION' 1.54 1.61  . . 170 2654 99.72  . . . . 0.2439 . . . . . . . . . . . 0.2603 
'X-RAY DIFFRACTION' 1.61 1.68  . . 128 2700 99.89  . . . . 0.2409 . . . . . . . . . . . 0.2719 
'X-RAY DIFFRACTION' 1.68 1.77  . . 128 2716 99.89  . . . . 0.2340 . . . . . . . . . . . 0.2456 
'X-RAY DIFFRACTION' 1.77 1.88  . . 119 2676 99.93  . . . . 0.2369 . . . . . . . . . . . 0.2621 
'X-RAY DIFFRACTION' 1.88 2.02  . . 149 2687 100.00 . . . . 0.2147 . . . . . . . . . . . 0.2237 
'X-RAY DIFFRACTION' 2.02 2.23  . . 131 2707 100.00 . . . . 0.2266 . . . . . . . . . . . 0.3183 
'X-RAY DIFFRACTION' 2.23 2.55  . . 142 2683 100.00 . . . . 0.2248 . . . . . . . . . . . 0.2881 
'X-RAY DIFFRACTION' 2.55 3.21  . . 144 2698 100.00 . . . . 0.2289 . . . . . . . . . . . 0.2348 
'X-RAY DIFFRACTION' 3.21 24.12 . . 138 2746 99.86  . . . . 0.1830 . . . . . . . . . . . 0.2028 
# 
_struct.entry_id                     9II5 
_struct.title                        'Crystal structure of human TRIM21 PRYSPRY in complex with compound 1' 
_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        9II5 
_struct_keywords.text            'complex, E3 ligase, LIGASE' 
_struct_keywords.pdbx_keywords   LIGASE 
# 
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 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    RO52_HUMAN 
_struct_ref.pdbx_db_accession          P19474 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;VHITLDPDTANPWLILSEDRRQVRLGDTQQSIPGNEERFDSYPMVLGAQHFHSGKHYWEVDVTGKEAWDLGVCRDSVRRK
GHFLLSSKSGFWTIWLWNKQKYEAGTYPQTPLHLQVPPCQVGIFLDYEAGMVSFYNITDHGSLIYSFSECAFTGPLRPFF
SPGFNDGGKNTAPLTLC
;
_struct_ref.pdbx_align_begin           287 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              9II5 
_struct_ref_seq.pdbx_strand_id                A 
_struct_ref_seq.seq_align_beg                 1 
_struct_ref_seq.pdbx_seq_align_beg_ins_code   ? 
_struct_ref_seq.seq_align_end                 178 
_struct_ref_seq.pdbx_seq_align_end_ins_code   ? 
_struct_ref_seq.pdbx_db_accession             P19474 
_struct_ref_seq.db_align_beg                  287 
_struct_ref_seq.pdbx_db_align_beg_ins_code    ? 
_struct_ref_seq.db_align_end                  463 
_struct_ref_seq.pdbx_db_align_end_ins_code    ? 
_struct_ref_seq.pdbx_auth_seq_align_beg       287 
_struct_ref_seq.pdbx_auth_seq_align_end       464 
# 
_struct_ref_seq_dif.align_id                     1 
_struct_ref_seq_dif.pdbx_pdb_id_code             9II5 
_struct_ref_seq_dif.mon_id                       ALA 
_struct_ref_seq_dif.pdbx_pdb_strand_id           A 
_struct_ref_seq_dif.seq_num                      176 
_struct_ref_seq_dif.pdbx_pdb_ins_code            ? 
_struct_ref_seq_dif.pdbx_seq_db_name             UNP 
_struct_ref_seq_dif.pdbx_seq_db_accession_code   P19474 
_struct_ref_seq_dif.db_mon_id                    ? 
_struct_ref_seq_dif.pdbx_seq_db_seq_num          ? 
_struct_ref_seq_dif.details                      insertion 
_struct_ref_seq_dif.pdbx_auth_seq_num            462 
_struct_ref_seq_dif.pdbx_ordinal                 1 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_defined_assembly 
_pdbx_struct_assembly.method_details       ? 
_pdbx_struct_assembly.oligomeric_details   monomeric 
_pdbx_struct_assembly.oligomeric_count     1 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C 
# 
_pdbx_struct_assembly_auth_evidence.id                     1 
_pdbx_struct_assembly_auth_evidence.assembly_id            1 
_pdbx_struct_assembly_auth_evidence.experimental_support   'NMR Distance Restraints' 
_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 
# 
_struct_conf.conf_type_id            HELX_P 
_struct_conf.id                      HELX_P1 
_struct_conf.pdbx_PDB_helix_id       AA1 
_struct_conf.beg_label_comp_id       ASP 
_struct_conf.beg_label_asym_id       A 
_struct_conf.beg_label_seq_id        6 
_struct_conf.pdbx_beg_PDB_ins_code   ? 
_struct_conf.end_label_comp_id       ALA 
_struct_conf.end_label_asym_id       A 
_struct_conf.end_label_seq_id        10 
_struct_conf.pdbx_end_PDB_ins_code   ? 
_struct_conf.beg_auth_comp_id        ASP 
_struct_conf.beg_auth_asym_id        A 
_struct_conf.beg_auth_seq_id         292 
_struct_conf.end_auth_comp_id        ALA 
_struct_conf.end_auth_asym_id        A 
_struct_conf.end_auth_seq_id         296 
_struct_conf.pdbx_PDB_helix_class    5 
_struct_conf.details                 ? 
_struct_conf.pdbx_PDB_helix_length   5 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
_struct_mon_prot_cis.pdbx_id                1 
_struct_mon_prot_cis.label_comp_id          TYR 
_struct_mon_prot_cis.label_seq_id           107 
_struct_mon_prot_cis.label_asym_id          A 
_struct_mon_prot_cis.label_alt_id           . 
_struct_mon_prot_cis.pdbx_PDB_ins_code      ? 
_struct_mon_prot_cis.auth_comp_id           TYR 
_struct_mon_prot_cis.auth_seq_id            393 
_struct_mon_prot_cis.auth_asym_id           A 
_struct_mon_prot_cis.pdbx_label_comp_id_2   PRO 
_struct_mon_prot_cis.pdbx_label_seq_id_2    108 
_struct_mon_prot_cis.pdbx_label_asym_id_2   A 
_struct_mon_prot_cis.pdbx_PDB_ins_code_2    ? 
_struct_mon_prot_cis.pdbx_auth_comp_id_2    PRO 
_struct_mon_prot_cis.pdbx_auth_seq_id_2     394 
_struct_mon_prot_cis.pdbx_auth_asym_id_2    A 
_struct_mon_prot_cis.pdbx_PDB_model_num     1 
_struct_mon_prot_cis.pdbx_omega_angle       -9.72 
# 
loop_
_struct_sheet.id 
_struct_sheet.type 
_struct_sheet.number_strands 
_struct_sheet.details 
AA1 ? 7 ? 
AA2 ? 6 ? 
# 
loop_
_struct_sheet_order.sheet_id 
_struct_sheet_order.range_id_1 
_struct_sheet_order.range_id_2 
_struct_sheet_order.offset 
_struct_sheet_order.sense 
AA1 1 2 ? anti-parallel 
AA1 2 3 ? anti-parallel 
AA1 3 4 ? anti-parallel 
AA1 4 5 ? anti-parallel 
AA1 5 6 ? anti-parallel 
AA1 6 7 ? anti-parallel 
AA2 1 2 ? anti-parallel 
AA2 2 3 ? anti-parallel 
AA2 3 4 ? anti-parallel 
AA2 4 5 ? anti-parallel 
AA2 5 6 ? anti-parallel 
# 
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 LEU A 14  ? LEU A 16  ? LEU A 300 LEU A 302 
AA1 2 GLN A 22  ? LEU A 25  ? GLN A 308 LEU A 311 
AA1 3 LEU A 174 ? ALA A 176 ? LEU A 460 ALA A 462 
AA1 4 LYS A 55  ? ASP A 61  ? LYS A 341 ASP A 347 
AA1 5 GLN A 120 ? ASP A 126 ? GLN A 406 ASP A 412 
AA1 6 MET A 131 ? ASN A 136 ? MET A 417 ASN A 422 
AA1 7 SER A 142 ? PHE A 147 ? SER A 428 PHE A 433 
AA2 1 VAL A 45  ? LEU A 46  ? VAL A 331 LEU A 332 
AA2 2 LEU A 156 ? SER A 161 ? LEU A 442 SER A 447 
AA2 3 TRP A 68  ? ARG A 74  ? TRP A 354 ARG A 360 
AA2 4 PHE A 91  ? LEU A 96  ? PHE A 377 LEU A 382 
AA2 5 TYR A 102 ? ALA A 104 ? TYR A 388 ALA A 390 
AA2 6 THR A 110 ? LEU A 112 ? THR A 396 LEU A 398 
# 
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 ILE A 15  ? N ILE A 301 O ARG A 24  ? O ARG A 310 
AA1 2 3 N VAL A 23  ? N VAL A 309 O LEU A 174 ? O LEU A 460 
AA1 3 4 O THR A 175 ? O THR A 461 N ASP A 61  ? N ASP A 347 
AA1 4 5 N HIS A 56  ? N HIS A 342 O LEU A 125 ? O LEU A 411 
AA1 5 6 N PHE A 124 ? N PHE A 410 O SER A 133 ? O SER A 419 
AA1 6 7 N ASN A 136 ? N ASN A 422 O SER A 142 ? O SER A 428 
AA2 1 2 N VAL A 45  ? N VAL A 331 O PHE A 160 ? O PHE A 446 
AA2 2 3 O PHE A 159 ? O PHE A 445 N GLY A 71  ? N GLY A 357 
AA2 3 4 N VAL A 72  ? N VAL A 358 O TRP A 92  ? O TRP A 378 
AA2 4 5 N TRP A 95  ? N TRP A 381 O GLU A 103 ? O GLU A 389 
AA2 5 6 N TYR A 102 ? N TYR A 388 O LEU A 112 ? O LEU A 398 
# 
_pdbx_entry_details.entry_id                   9II5 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.has_ligand_of_interest     Y 
_pdbx_entry_details.has_protein_modification   N 
# 
loop_
_pdbx_validate_close_contact.id 
_pdbx_validate_close_contact.PDB_model_num 
_pdbx_validate_close_contact.auth_atom_id_1 
_pdbx_validate_close_contact.auth_asym_id_1 
_pdbx_validate_close_contact.auth_comp_id_1 
_pdbx_validate_close_contact.auth_seq_id_1 
_pdbx_validate_close_contact.PDB_ins_code_1 
_pdbx_validate_close_contact.label_alt_id_1 
_pdbx_validate_close_contact.auth_atom_id_2 
_pdbx_validate_close_contact.auth_asym_id_2 
_pdbx_validate_close_contact.auth_comp_id_2 
_pdbx_validate_close_contact.auth_seq_id_2 
_pdbx_validate_close_contact.PDB_ins_code_2 
_pdbx_validate_close_contact.label_alt_id_2 
_pdbx_validate_close_contact.dist 
1 1 O A HOH 608 ? ? O A HOH 684 ? ? 1.91 
2 1 O A GLY 453 ? ? N A LYS 455 ? ? 1.94 
# 
loop_
_pdbx_validate_symm_contact.id 
_pdbx_validate_symm_contact.PDB_model_num 
_pdbx_validate_symm_contact.auth_atom_id_1 
_pdbx_validate_symm_contact.auth_asym_id_1 
_pdbx_validate_symm_contact.auth_comp_id_1 
_pdbx_validate_symm_contact.auth_seq_id_1 
_pdbx_validate_symm_contact.PDB_ins_code_1 
_pdbx_validate_symm_contact.label_alt_id_1 
_pdbx_validate_symm_contact.site_symmetry_1 
_pdbx_validate_symm_contact.auth_atom_id_2 
_pdbx_validate_symm_contact.auth_asym_id_2 
_pdbx_validate_symm_contact.auth_comp_id_2 
_pdbx_validate_symm_contact.auth_seq_id_2 
_pdbx_validate_symm_contact.PDB_ins_code_2 
_pdbx_validate_symm_contact.label_alt_id_2 
_pdbx_validate_symm_contact.site_symmetry_2 
_pdbx_validate_symm_contact.dist 
1 1 O A LYS 341 ? ? 1_555 NZ A LYS 374 ? ? 5_554 1.79 
2 1 O A HOH 621 ? ? 1_555 O  A HOH 653 ? ? 2_544 2.00 
# 
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 GLN A 315 ? ? -49.69  106.16  
2 1 SER A 317 ? ? -105.10 63.18   
3 1 TRP A 383 ? ? -137.62 -70.72  
4 1 ASN A 384 ? ? -86.99  -108.61 
5 1 ASP A 425 ? ? -90.95  40.76   
6 1 ASN A 456 ? ? -150.23 40.83   
# 
loop_
_pdbx_struct_special_symmetry.id 
_pdbx_struct_special_symmetry.PDB_model_num 
_pdbx_struct_special_symmetry.auth_asym_id 
_pdbx_struct_special_symmetry.auth_comp_id 
_pdbx_struct_special_symmetry.auth_seq_id 
_pdbx_struct_special_symmetry.PDB_ins_code 
_pdbx_struct_special_symmetry.label_asym_id 
_pdbx_struct_special_symmetry.label_comp_id 
_pdbx_struct_special_symmetry.label_seq_id 
1 1 A HOH 662 ? C HOH . 
2 1 A HOH 692 ? C HOH . 
# 
loop_
_space_group_symop.id 
_space_group_symop.operation_xyz 
1 x,y,z         
2 x-y,x,z+1/3   
3 y,-x+y,z+2/3  
4 -y,x-y,z+2/3  
5 -x+y,-x,z+1/3 
6 -x,-y,z       
# 
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 
A1D9F N1   N N N 1   
A1D9F C4   C N N 2   
A1D9F C5   C N N 3   
A1D9F C6   C N N 4   
A1D9F C7   C N N 5   
A1D9F C8   C N N 6   
A1D9F C10  C Y N 7   
A1D9F C13  C Y N 8   
A1D9F C15  C Y N 9   
A1D9F C17  C Y N 10  
A1D9F C20  C Y N 11  
A1D9F C21  C Y N 12  
A1D9F C22  C Y N 13  
A1D9F C1   C N N 14  
A1D9F C11  C Y N 15  
A1D9F C12  C Y N 16  
A1D9F C14  C Y N 17  
A1D9F C16  C N N 18  
A1D9F C18  C Y N 19  
A1D9F C19  C Y N 20  
A1D9F C2   C N N 21  
A1D9F C23  C N N 22  
A1D9F C3   C N N 23  
A1D9F C9   C N N 24  
A1D9F F1   F N N 25  
A1D9F O1   O N N 26  
A1D9F O2   O N N 27  
A1D9F O3   O N N 28  
A1D9F S1   S N N 29  
A1D9F S2   S N N 30  
A1D9F H4_2 H N N 31  
A1D9F H4_1 H N N 32  
A1D9F H5_2 H N N 33  
A1D9F H5_1 H N N 34  
A1D9F H6_1 H N N 35  
A1D9F H6_2 H N N 36  
A1D9F H7_2 H N N 37  
A1D9F H7_1 H N N 38  
A1D9F H8_1 H N N 39  
A1D9F H8_2 H N N 40  
A1D9F HC17 H N N 41  
A1D9F HC20 H N N 42  
A1D9F HC21 H N N 43  
A1D9F HC11 H N N 44  
A1D9F HC12 H N N 45  
A1D9F H163 H N N 46  
A1D9F H162 H N N 47  
A1D9F H161 H N N 48  
A1D9F HC18 H N N 49  
A1D9F HC19 H N N 50  
A1D9F H2_2 H N N 51  
A1D9F H2_1 H N N 52  
A1D9F H232 H N N 53  
A1D9F H231 H N N 54  
A1D9F H233 H N N 55  
A1D9F H9_1 H N N 56  
A1D9F H9_2 H N N 57  
A1D9F H9_3 H N N 58  
ALA   N    N N N 59  
ALA   CA   C N S 60  
ALA   C    C N N 61  
ALA   O    O N N 62  
ALA   CB   C N N 63  
ALA   OXT  O N N 64  
ALA   H    H N N 65  
ALA   H2   H N N 66  
ALA   HA   H N N 67  
ALA   HB1  H N N 68  
ALA   HB2  H N N 69  
ALA   HB3  H N N 70  
ALA   HXT  H N N 71  
ARG   N    N N N 72  
ARG   CA   C N S 73  
ARG   C    C N N 74  
ARG   O    O N N 75  
ARG   CB   C N N 76  
ARG   CG   C N N 77  
ARG   CD   C N N 78  
ARG   NE   N N N 79  
ARG   CZ   C N N 80  
ARG   NH1  N N N 81  
ARG   NH2  N N N 82  
ARG   OXT  O N N 83  
ARG   H    H N N 84  
ARG   H2   H N N 85  
ARG   HA   H N N 86  
ARG   HB2  H N N 87  
ARG   HB3  H N N 88  
ARG   HG2  H N N 89  
ARG   HG3  H N N 90  
ARG   HD2  H N N 91  
ARG   HD3  H N N 92  
ARG   HE   H N N 93  
ARG   HH11 H N N 94  
ARG   HH12 H N N 95  
ARG   HH21 H N N 96  
ARG   HH22 H N N 97  
ARG   HXT  H N N 98  
ASN   N    N N N 99  
ASN   CA   C N S 100 
ASN   C    C N N 101 
ASN   O    O N N 102 
ASN   CB   C N N 103 
ASN   CG   C N N 104 
ASN   OD1  O N N 105 
ASN   ND2  N N N 106 
ASN   OXT  O N N 107 
ASN   H    H N N 108 
ASN   H2   H N N 109 
ASN   HA   H N N 110 
ASN   HB2  H N N 111 
ASN   HB3  H N N 112 
ASN   HD21 H N N 113 
ASN   HD22 H N N 114 
ASN   HXT  H N N 115 
ASP   N    N N N 116 
ASP   CA   C N S 117 
ASP   C    C N N 118 
ASP   O    O N N 119 
ASP   CB   C N N 120 
ASP   CG   C N N 121 
ASP   OD1  O N N 122 
ASP   OD2  O N N 123 
ASP   OXT  O N N 124 
ASP   H    H N N 125 
ASP   H2   H N N 126 
ASP   HA   H N N 127 
ASP   HB2  H N N 128 
ASP   HB3  H N N 129 
ASP   HD2  H N N 130 
ASP   HXT  H N N 131 
CYS   N    N N N 132 
CYS   CA   C N R 133 
CYS   C    C N N 134 
CYS   O    O N N 135 
CYS   CB   C N N 136 
CYS   SG   S N N 137 
CYS   OXT  O N N 138 
CYS   H    H N N 139 
CYS   H2   H N N 140 
CYS   HA   H N N 141 
CYS   HB2  H N N 142 
CYS   HB3  H N N 143 
CYS   HG   H N N 144 
CYS   HXT  H N N 145 
GLN   N    N N N 146 
GLN   CA   C N S 147 
GLN   C    C N N 148 
GLN   O    O N N 149 
GLN   CB   C N N 150 
GLN   CG   C N N 151 
GLN   CD   C N N 152 
GLN   OE1  O N N 153 
GLN   NE2  N N N 154 
GLN   OXT  O N N 155 
GLN   H    H N N 156 
GLN   H2   H N N 157 
GLN   HA   H N N 158 
GLN   HB2  H N N 159 
GLN   HB3  H N N 160 
GLN   HG2  H N N 161 
GLN   HG3  H N N 162 
GLN   HE21 H N N 163 
GLN   HE22 H N N 164 
GLN   HXT  H N N 165 
GLU   N    N N N 166 
GLU   CA   C N S 167 
GLU   C    C N N 168 
GLU   O    O N N 169 
GLU   CB   C N N 170 
GLU   CG   C N N 171 
GLU   CD   C N N 172 
GLU   OE1  O N N 173 
GLU   OE2  O N N 174 
GLU   OXT  O N N 175 
GLU   H    H N N 176 
GLU   H2   H N N 177 
GLU   HA   H N N 178 
GLU   HB2  H N N 179 
GLU   HB3  H N N 180 
GLU   HG2  H N N 181 
GLU   HG3  H N N 182 
GLU   HE2  H N N 183 
GLU   HXT  H N N 184 
GLY   N    N N N 185 
GLY   CA   C N N 186 
GLY   C    C N N 187 
GLY   O    O N N 188 
GLY   OXT  O N N 189 
GLY   H    H N N 190 
GLY   H2   H N N 191 
GLY   HA2  H N N 192 
GLY   HA3  H N N 193 
GLY   HXT  H N N 194 
HIS   N    N N N 195 
HIS   CA   C N S 196 
HIS   C    C N N 197 
HIS   O    O N N 198 
HIS   CB   C N N 199 
HIS   CG   C Y N 200 
HIS   ND1  N Y N 201 
HIS   CD2  C Y N 202 
HIS   CE1  C Y N 203 
HIS   NE2  N Y N 204 
HIS   OXT  O N N 205 
HIS   H    H N N 206 
HIS   H2   H N N 207 
HIS   HA   H N N 208 
HIS   HB2  H N N 209 
HIS   HB3  H N N 210 
HIS   HD1  H N N 211 
HIS   HD2  H N N 212 
HIS   HE1  H N N 213 
HIS   HE2  H N N 214 
HIS   HXT  H N N 215 
HOH   O    O N N 216 
HOH   H1   H N N 217 
HOH   H2   H N N 218 
ILE   N    N N N 219 
ILE   CA   C N S 220 
ILE   C    C N N 221 
ILE   O    O N N 222 
ILE   CB   C N S 223 
ILE   CG1  C N N 224 
ILE   CG2  C N N 225 
ILE   CD1  C N N 226 
ILE   OXT  O N N 227 
ILE   H    H N N 228 
ILE   H2   H N N 229 
ILE   HA   H N N 230 
ILE   HB   H N N 231 
ILE   HG12 H N N 232 
ILE   HG13 H N N 233 
ILE   HG21 H N N 234 
ILE   HG22 H N N 235 
ILE   HG23 H N N 236 
ILE   HD11 H N N 237 
ILE   HD12 H N N 238 
ILE   HD13 H N N 239 
ILE   HXT  H N N 240 
LEU   N    N N N 241 
LEU   CA   C N S 242 
LEU   C    C N N 243 
LEU   O    O N N 244 
LEU   CB   C N N 245 
LEU   CG   C N N 246 
LEU   CD1  C N N 247 
LEU   CD2  C N N 248 
LEU   OXT  O N N 249 
LEU   H    H N N 250 
LEU   H2   H N N 251 
LEU   HA   H N N 252 
LEU   HB2  H N N 253 
LEU   HB3  H N N 254 
LEU   HG   H N N 255 
LEU   HD11 H N N 256 
LEU   HD12 H N N 257 
LEU   HD13 H N N 258 
LEU   HD21 H N N 259 
LEU   HD22 H N N 260 
LEU   HD23 H N N 261 
LEU   HXT  H N N 262 
LYS   N    N N N 263 
LYS   CA   C N S 264 
LYS   C    C N N 265 
LYS   O    O N N 266 
LYS   CB   C N N 267 
LYS   CG   C N N 268 
LYS   CD   C N N 269 
LYS   CE   C N N 270 
LYS   NZ   N N N 271 
LYS   OXT  O N N 272 
LYS   H    H N N 273 
LYS   H2   H N N 274 
LYS   HA   H N N 275 
LYS   HB2  H N N 276 
LYS   HB3  H N N 277 
LYS   HG2  H N N 278 
LYS   HG3  H N N 279 
LYS   HD2  H N N 280 
LYS   HD3  H N N 281 
LYS   HE2  H N N 282 
LYS   HE3  H N N 283 
LYS   HZ1  H N N 284 
LYS   HZ2  H N N 285 
LYS   HZ3  H N N 286 
LYS   HXT  H N N 287 
MET   N    N N N 288 
MET   CA   C N S 289 
MET   C    C N N 290 
MET   O    O N N 291 
MET   CB   C N N 292 
MET   CG   C N N 293 
MET   SD   S N N 294 
MET   CE   C N N 295 
MET   OXT  O N N 296 
MET   H    H N N 297 
MET   H2   H N N 298 
MET   HA   H N N 299 
MET   HB2  H N N 300 
MET   HB3  H N N 301 
MET   HG2  H N N 302 
MET   HG3  H N N 303 
MET   HE1  H N N 304 
MET   HE2  H N N 305 
MET   HE3  H N N 306 
MET   HXT  H N N 307 
PHE   N    N N N 308 
PHE   CA   C N S 309 
PHE   C    C N N 310 
PHE   O    O N N 311 
PHE   CB   C N N 312 
PHE   CG   C Y N 313 
PHE   CD1  C Y N 314 
PHE   CD2  C Y N 315 
PHE   CE1  C Y N 316 
PHE   CE2  C Y N 317 
PHE   CZ   C Y N 318 
PHE   OXT  O N N 319 
PHE   H    H N N 320 
PHE   H2   H N N 321 
PHE   HA   H N N 322 
PHE   HB2  H N N 323 
PHE   HB3  H N N 324 
PHE   HD1  H N N 325 
PHE   HD2  H N N 326 
PHE   HE1  H N N 327 
PHE   HE2  H N N 328 
PHE   HZ   H N N 329 
PHE   HXT  H N N 330 
PRO   N    N N N 331 
PRO   CA   C N S 332 
PRO   C    C N N 333 
PRO   O    O N N 334 
PRO   CB   C N N 335 
PRO   CG   C N N 336 
PRO   CD   C N N 337 
PRO   OXT  O N N 338 
PRO   H    H N N 339 
PRO   HA   H N N 340 
PRO   HB2  H N N 341 
PRO   HB3  H N N 342 
PRO   HG2  H N N 343 
PRO   HG3  H N N 344 
PRO   HD2  H N N 345 
PRO   HD3  H N N 346 
PRO   HXT  H N N 347 
SER   N    N N N 348 
SER   CA   C N S 349 
SER   C    C N N 350 
SER   O    O N N 351 
SER   CB   C N N 352 
SER   OG   O N N 353 
SER   OXT  O N N 354 
SER   H    H N N 355 
SER   H2   H N N 356 
SER   HA   H N N 357 
SER   HB2  H N N 358 
SER   HB3  H N N 359 
SER   HG   H N N 360 
SER   HXT  H N N 361 
THR   N    N N N 362 
THR   CA   C N S 363 
THR   C    C N N 364 
THR   O    O N N 365 
THR   CB   C N R 366 
THR   OG1  O N N 367 
THR   CG2  C N N 368 
THR   OXT  O N N 369 
THR   H    H N N 370 
THR   H2   H N N 371 
THR   HA   H N N 372 
THR   HB   H N N 373 
THR   HG1  H N N 374 
THR   HG21 H N N 375 
THR   HG22 H N N 376 
THR   HG23 H N N 377 
THR   HXT  H N N 378 
TRP   N    N N N 379 
TRP   CA   C N S 380 
TRP   C    C N N 381 
TRP   O    O N N 382 
TRP   CB   C N N 383 
TRP   CG   C Y N 384 
TRP   CD1  C Y N 385 
TRP   CD2  C Y N 386 
TRP   NE1  N Y N 387 
TRP   CE2  C Y N 388 
TRP   CE3  C Y N 389 
TRP   CZ2  C Y N 390 
TRP   CZ3  C Y N 391 
TRP   CH2  C Y N 392 
TRP   OXT  O N N 393 
TRP   H    H N N 394 
TRP   H2   H N N 395 
TRP   HA   H N N 396 
TRP   HB2  H N N 397 
TRP   HB3  H N N 398 
TRP   HD1  H N N 399 
TRP   HE1  H N N 400 
TRP   HE3  H N N 401 
TRP   HZ2  H N N 402 
TRP   HZ3  H N N 403 
TRP   HH2  H N N 404 
TRP   HXT  H N N 405 
TYR   N    N N N 406 
TYR   CA   C N S 407 
TYR   C    C N N 408 
TYR   O    O N N 409 
TYR   CB   C N N 410 
TYR   CG   C Y N 411 
TYR   CD1  C Y N 412 
TYR   CD2  C Y N 413 
TYR   CE1  C Y N 414 
TYR   CE2  C Y N 415 
TYR   CZ   C Y N 416 
TYR   OH   O N N 417 
TYR   OXT  O N N 418 
TYR   H    H N N 419 
TYR   H2   H N N 420 
TYR   HA   H N N 421 
TYR   HB2  H N N 422 
TYR   HB3  H N N 423 
TYR   HD1  H N N 424 
TYR   HD2  H N N 425 
TYR   HE1  H N N 426 
TYR   HE2  H N N 427 
TYR   HH   H N N 428 
TYR   HXT  H N N 429 
VAL   N    N N N 430 
VAL   CA   C N S 431 
VAL   C    C N N 432 
VAL   O    O N N 433 
VAL   CB   C N N 434 
VAL   CG1  C N N 435 
VAL   CG2  C N N 436 
VAL   OXT  O N N 437 
VAL   H    H N N 438 
VAL   H2   H N N 439 
VAL   HA   H N N 440 
VAL   HB   H N N 441 
VAL   HG11 H N N 442 
VAL   HG12 H N N 443 
VAL   HG13 H N N 444 
VAL   HG21 H N N 445 
VAL   HG22 H N N 446 
VAL   HG23 H N N 447 
VAL   HXT  H N N 448 
# 
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 
A1D9F O1  C1   doub N N 1   
A1D9F C1  N1   sing N N 2   
A1D9F C1  C10  sing N N 3   
A1D9F N1  C2   sing N N 4   
A1D9F N1  C9   sing N N 5   
A1D9F C2  C3   sing N N 6   
A1D9F C3  F1   sing N N 7   
A1D9F C3  C4   sing N N 8   
A1D9F C3  C8   sing N N 9   
A1D9F C4  C5   sing N N 10  
A1D9F C5  C6   sing N N 11  
A1D9F C6  C7   sing N N 12  
A1D9F C7  C8   sing N N 13  
A1D9F C10 C11  doub Y N 14  
A1D9F C10 C22  sing Y N 15  
A1D9F C11 C12  sing Y N 16  
A1D9F C12 C13  doub Y N 17  
A1D9F C13 C14  sing N N 18  
A1D9F C13 C21  sing Y N 19  
A1D9F C14 C15  doub Y N 20  
A1D9F C14 C20  sing Y N 21  
A1D9F C15 S1   sing N N 22  
A1D9F C15 C17  sing Y N 23  
A1D9F S1  C16  sing N N 24  
A1D9F C17 C18  doub Y N 25  
A1D9F C18 C19  sing Y N 26  
A1D9F C19 C20  doub Y N 27  
A1D9F C21 C22  doub Y N 28  
A1D9F C22 S2   sing N N 29  
A1D9F S2  O2   doub N N 30  
A1D9F S2  C23  sing N N 31  
A1D9F S2  O3   doub N N 32  
A1D9F C4  H4_2 sing N N 33  
A1D9F C4  H4_1 sing N N 34  
A1D9F C5  H5_2 sing N N 35  
A1D9F C5  H5_1 sing N N 36  
A1D9F C6  H6_1 sing N N 37  
A1D9F C6  H6_2 sing N N 38  
A1D9F C7  H7_2 sing N N 39  
A1D9F C7  H7_1 sing N N 40  
A1D9F C8  H8_1 sing N N 41  
A1D9F C8  H8_2 sing N N 42  
A1D9F C17 HC17 sing N N 43  
A1D9F C20 HC20 sing N N 44  
A1D9F C21 HC21 sing N N 45  
A1D9F C11 HC11 sing N N 46  
A1D9F C12 HC12 sing N N 47  
A1D9F C16 H163 sing N N 48  
A1D9F C16 H162 sing N N 49  
A1D9F C16 H161 sing N N 50  
A1D9F C18 HC18 sing N N 51  
A1D9F C19 HC19 sing N N 52  
A1D9F C2  H2_2 sing N N 53  
A1D9F C2  H2_1 sing N N 54  
A1D9F C23 H232 sing N N 55  
A1D9F C23 H231 sing N N 56  
A1D9F C23 H233 sing N N 57  
A1D9F C9  H9_1 sing N N 58  
A1D9F C9  H9_2 sing N N 59  
A1D9F C9  H9_3 sing N N 60  
ALA   N   CA   sing N N 61  
ALA   N   H    sing N N 62  
ALA   N   H2   sing N N 63  
ALA   CA  C    sing N N 64  
ALA   CA  CB   sing N N 65  
ALA   CA  HA   sing N N 66  
ALA   C   O    doub N N 67  
ALA   C   OXT  sing N N 68  
ALA   CB  HB1  sing N N 69  
ALA   CB  HB2  sing N N 70  
ALA   CB  HB3  sing N N 71  
ALA   OXT HXT  sing N N 72  
ARG   N   CA   sing N N 73  
ARG   N   H    sing N N 74  
ARG   N   H2   sing N N 75  
ARG   CA  C    sing N N 76  
ARG   CA  CB   sing N N 77  
ARG   CA  HA   sing N N 78  
ARG   C   O    doub N N 79  
ARG   C   OXT  sing N N 80  
ARG   CB  CG   sing N N 81  
ARG   CB  HB2  sing N N 82  
ARG   CB  HB3  sing N N 83  
ARG   CG  CD   sing N N 84  
ARG   CG  HG2  sing N N 85  
ARG   CG  HG3  sing N N 86  
ARG   CD  NE   sing N N 87  
ARG   CD  HD2  sing N N 88  
ARG   CD  HD3  sing N N 89  
ARG   NE  CZ   sing N N 90  
ARG   NE  HE   sing N N 91  
ARG   CZ  NH1  sing N N 92  
ARG   CZ  NH2  doub N N 93  
ARG   NH1 HH11 sing N N 94  
ARG   NH1 HH12 sing N N 95  
ARG   NH2 HH21 sing N N 96  
ARG   NH2 HH22 sing N N 97  
ARG   OXT HXT  sing N N 98  
ASN   N   CA   sing N N 99  
ASN   N   H    sing N N 100 
ASN   N   H2   sing N N 101 
ASN   CA  C    sing N N 102 
ASN   CA  CB   sing N N 103 
ASN   CA  HA   sing N N 104 
ASN   C   O    doub N N 105 
ASN   C   OXT  sing N N 106 
ASN   CB  CG   sing N N 107 
ASN   CB  HB2  sing N N 108 
ASN   CB  HB3  sing N N 109 
ASN   CG  OD1  doub N N 110 
ASN   CG  ND2  sing N N 111 
ASN   ND2 HD21 sing N N 112 
ASN   ND2 HD22 sing N N 113 
ASN   OXT HXT  sing N N 114 
ASP   N   CA   sing N N 115 
ASP   N   H    sing N N 116 
ASP   N   H2   sing N N 117 
ASP   CA  C    sing N N 118 
ASP   CA  CB   sing N N 119 
ASP   CA  HA   sing N N 120 
ASP   C   O    doub N N 121 
ASP   C   OXT  sing N N 122 
ASP   CB  CG   sing N N 123 
ASP   CB  HB2  sing N N 124 
ASP   CB  HB3  sing N N 125 
ASP   CG  OD1  doub N N 126 
ASP   CG  OD2  sing N N 127 
ASP   OD2 HD2  sing N N 128 
ASP   OXT HXT  sing N N 129 
CYS   N   CA   sing N N 130 
CYS   N   H    sing N N 131 
CYS   N   H2   sing N N 132 
CYS   CA  C    sing N N 133 
CYS   CA  CB   sing N N 134 
CYS   CA  HA   sing N N 135 
CYS   C   O    doub N N 136 
CYS   C   OXT  sing N N 137 
CYS   CB  SG   sing N N 138 
CYS   CB  HB2  sing N N 139 
CYS   CB  HB3  sing N N 140 
CYS   SG  HG   sing N N 141 
CYS   OXT HXT  sing N N 142 
GLN   N   CA   sing N N 143 
GLN   N   H    sing N N 144 
GLN   N   H2   sing N N 145 
GLN   CA  C    sing N N 146 
GLN   CA  CB   sing N N 147 
GLN   CA  HA   sing N N 148 
GLN   C   O    doub N N 149 
GLN   C   OXT  sing N N 150 
GLN   CB  CG   sing N N 151 
GLN   CB  HB2  sing N N 152 
GLN   CB  HB3  sing N N 153 
GLN   CG  CD   sing N N 154 
GLN   CG  HG2  sing N N 155 
GLN   CG  HG3  sing N N 156 
GLN   CD  OE1  doub N N 157 
GLN   CD  NE2  sing N N 158 
GLN   NE2 HE21 sing N N 159 
GLN   NE2 HE22 sing N N 160 
GLN   OXT HXT  sing N N 161 
GLU   N   CA   sing N N 162 
GLU   N   H    sing N N 163 
GLU   N   H2   sing N N 164 
GLU   CA  C    sing N N 165 
GLU   CA  CB   sing N N 166 
GLU   CA  HA   sing N N 167 
GLU   C   O    doub N N 168 
GLU   C   OXT  sing N N 169 
GLU   CB  CG   sing N N 170 
GLU   CB  HB2  sing N N 171 
GLU   CB  HB3  sing N N 172 
GLU   CG  CD   sing N N 173 
GLU   CG  HG2  sing N N 174 
GLU   CG  HG3  sing N N 175 
GLU   CD  OE1  doub N N 176 
GLU   CD  OE2  sing N N 177 
GLU   OE2 HE2  sing N N 178 
GLU   OXT HXT  sing N N 179 
GLY   N   CA   sing N N 180 
GLY   N   H    sing N N 181 
GLY   N   H2   sing N N 182 
GLY   CA  C    sing N N 183 
GLY   CA  HA2  sing N N 184 
GLY   CA  HA3  sing N N 185 
GLY   C   O    doub N N 186 
GLY   C   OXT  sing N N 187 
GLY   OXT HXT  sing N N 188 
HIS   N   CA   sing N N 189 
HIS   N   H    sing N N 190 
HIS   N   H2   sing N N 191 
HIS   CA  C    sing N N 192 
HIS   CA  CB   sing N N 193 
HIS   CA  HA   sing N N 194 
HIS   C   O    doub N N 195 
HIS   C   OXT  sing N N 196 
HIS   CB  CG   sing N N 197 
HIS   CB  HB2  sing N N 198 
HIS   CB  HB3  sing N N 199 
HIS   CG  ND1  sing Y N 200 
HIS   CG  CD2  doub Y N 201 
HIS   ND1 CE1  doub Y N 202 
HIS   ND1 HD1  sing N N 203 
HIS   CD2 NE2  sing Y N 204 
HIS   CD2 HD2  sing N N 205 
HIS   CE1 NE2  sing Y N 206 
HIS   CE1 HE1  sing N N 207 
HIS   NE2 HE2  sing N N 208 
HIS   OXT HXT  sing N N 209 
HOH   O   H1   sing N N 210 
HOH   O   H2   sing N N 211 
ILE   N   CA   sing N N 212 
ILE   N   H    sing N N 213 
ILE   N   H2   sing N N 214 
ILE   CA  C    sing N N 215 
ILE   CA  CB   sing N N 216 
ILE   CA  HA   sing N N 217 
ILE   C   O    doub N N 218 
ILE   C   OXT  sing N N 219 
ILE   CB  CG1  sing N N 220 
ILE   CB  CG2  sing N N 221 
ILE   CB  HB   sing N N 222 
ILE   CG1 CD1  sing N N 223 
ILE   CG1 HG12 sing N N 224 
ILE   CG1 HG13 sing N N 225 
ILE   CG2 HG21 sing N N 226 
ILE   CG2 HG22 sing N N 227 
ILE   CG2 HG23 sing N N 228 
ILE   CD1 HD11 sing N N 229 
ILE   CD1 HD12 sing N N 230 
ILE   CD1 HD13 sing N N 231 
ILE   OXT HXT  sing N N 232 
LEU   N   CA   sing N N 233 
LEU   N   H    sing N N 234 
LEU   N   H2   sing N N 235 
LEU   CA  C    sing N N 236 
LEU   CA  CB   sing N N 237 
LEU   CA  HA   sing N N 238 
LEU   C   O    doub N N 239 
LEU   C   OXT  sing N N 240 
LEU   CB  CG   sing N N 241 
LEU   CB  HB2  sing N N 242 
LEU   CB  HB3  sing N N 243 
LEU   CG  CD1  sing N N 244 
LEU   CG  CD2  sing N N 245 
LEU   CG  HG   sing N N 246 
LEU   CD1 HD11 sing N N 247 
LEU   CD1 HD12 sing N N 248 
LEU   CD1 HD13 sing N N 249 
LEU   CD2 HD21 sing N N 250 
LEU   CD2 HD22 sing N N 251 
LEU   CD2 HD23 sing N N 252 
LEU   OXT HXT  sing N N 253 
LYS   N   CA   sing N N 254 
LYS   N   H    sing N N 255 
LYS   N   H2   sing N N 256 
LYS   CA  C    sing N N 257 
LYS   CA  CB   sing N N 258 
LYS   CA  HA   sing N N 259 
LYS   C   O    doub N N 260 
LYS   C   OXT  sing N N 261 
LYS   CB  CG   sing N N 262 
LYS   CB  HB2  sing N N 263 
LYS   CB  HB3  sing N N 264 
LYS   CG  CD   sing N N 265 
LYS   CG  HG2  sing N N 266 
LYS   CG  HG3  sing N N 267 
LYS   CD  CE   sing N N 268 
LYS   CD  HD2  sing N N 269 
LYS   CD  HD3  sing N N 270 
LYS   CE  NZ   sing N N 271 
LYS   CE  HE2  sing N N 272 
LYS   CE  HE3  sing N N 273 
LYS   NZ  HZ1  sing N N 274 
LYS   NZ  HZ2  sing N N 275 
LYS   NZ  HZ3  sing N N 276 
LYS   OXT HXT  sing N N 277 
MET   N   CA   sing N N 278 
MET   N   H    sing N N 279 
MET   N   H2   sing N N 280 
MET   CA  C    sing N N 281 
MET   CA  CB   sing N N 282 
MET   CA  HA   sing N N 283 
MET   C   O    doub N N 284 
MET   C   OXT  sing N N 285 
MET   CB  CG   sing N N 286 
MET   CB  HB2  sing N N 287 
MET   CB  HB3  sing N N 288 
MET   CG  SD   sing N N 289 
MET   CG  HG2  sing N N 290 
MET   CG  HG3  sing N N 291 
MET   SD  CE   sing N N 292 
MET   CE  HE1  sing N N 293 
MET   CE  HE2  sing N N 294 
MET   CE  HE3  sing N N 295 
MET   OXT HXT  sing N N 296 
PHE   N   CA   sing N N 297 
PHE   N   H    sing N N 298 
PHE   N   H2   sing N N 299 
PHE   CA  C    sing N N 300 
PHE   CA  CB   sing N N 301 
PHE   CA  HA   sing N N 302 
PHE   C   O    doub N N 303 
PHE   C   OXT  sing N N 304 
PHE   CB  CG   sing N N 305 
PHE   CB  HB2  sing N N 306 
PHE   CB  HB3  sing N N 307 
PHE   CG  CD1  doub Y N 308 
PHE   CG  CD2  sing Y N 309 
PHE   CD1 CE1  sing Y N 310 
PHE   CD1 HD1  sing N N 311 
PHE   CD2 CE2  doub Y N 312 
PHE   CD2 HD2  sing N N 313 
PHE   CE1 CZ   doub Y N 314 
PHE   CE1 HE1  sing N N 315 
PHE   CE2 CZ   sing Y N 316 
PHE   CE2 HE2  sing N N 317 
PHE   CZ  HZ   sing N N 318 
PHE   OXT HXT  sing N N 319 
PRO   N   CA   sing N N 320 
PRO   N   CD   sing N N 321 
PRO   N   H    sing N N 322 
PRO   CA  C    sing N N 323 
PRO   CA  CB   sing N N 324 
PRO   CA  HA   sing N N 325 
PRO   C   O    doub N N 326 
PRO   C   OXT  sing N N 327 
PRO   CB  CG   sing N N 328 
PRO   CB  HB2  sing N N 329 
PRO   CB  HB3  sing N N 330 
PRO   CG  CD   sing N N 331 
PRO   CG  HG2  sing N N 332 
PRO   CG  HG3  sing N N 333 
PRO   CD  HD2  sing N N 334 
PRO   CD  HD3  sing N N 335 
PRO   OXT HXT  sing N N 336 
SER   N   CA   sing N N 337 
SER   N   H    sing N N 338 
SER   N   H2   sing N N 339 
SER   CA  C    sing N N 340 
SER   CA  CB   sing N N 341 
SER   CA  HA   sing N N 342 
SER   C   O    doub N N 343 
SER   C   OXT  sing N N 344 
SER   CB  OG   sing N N 345 
SER   CB  HB2  sing N N 346 
SER   CB  HB3  sing N N 347 
SER   OG  HG   sing N N 348 
SER   OXT HXT  sing N N 349 
THR   N   CA   sing N N 350 
THR   N   H    sing N N 351 
THR   N   H2   sing N N 352 
THR   CA  C    sing N N 353 
THR   CA  CB   sing N N 354 
THR   CA  HA   sing N N 355 
THR   C   O    doub N N 356 
THR   C   OXT  sing N N 357 
THR   CB  OG1  sing N N 358 
THR   CB  CG2  sing N N 359 
THR   CB  HB   sing N N 360 
THR   OG1 HG1  sing N N 361 
THR   CG2 HG21 sing N N 362 
THR   CG2 HG22 sing N N 363 
THR   CG2 HG23 sing N N 364 
THR   OXT HXT  sing N N 365 
TRP   N   CA   sing N N 366 
TRP   N   H    sing N N 367 
TRP   N   H2   sing N N 368 
TRP   CA  C    sing N N 369 
TRP   CA  CB   sing N N 370 
TRP   CA  HA   sing N N 371 
TRP   C   O    doub N N 372 
TRP   C   OXT  sing N N 373 
TRP   CB  CG   sing N N 374 
TRP   CB  HB2  sing N N 375 
TRP   CB  HB3  sing N N 376 
TRP   CG  CD1  doub Y N 377 
TRP   CG  CD2  sing Y N 378 
TRP   CD1 NE1  sing Y N 379 
TRP   CD1 HD1  sing N N 380 
TRP   CD2 CE2  doub Y N 381 
TRP   CD2 CE3  sing Y N 382 
TRP   NE1 CE2  sing Y N 383 
TRP   NE1 HE1  sing N N 384 
TRP   CE2 CZ2  sing Y N 385 
TRP   CE3 CZ3  doub Y N 386 
TRP   CE3 HE3  sing N N 387 
TRP   CZ2 CH2  doub Y N 388 
TRP   CZ2 HZ2  sing N N 389 
TRP   CZ3 CH2  sing Y N 390 
TRP   CZ3 HZ3  sing N N 391 
TRP   CH2 HH2  sing N N 392 
TRP   OXT HXT  sing N N 393 
TYR   N   CA   sing N N 394 
TYR   N   H    sing N N 395 
TYR   N   H2   sing N N 396 
TYR   CA  C    sing N N 397 
TYR   CA  CB   sing N N 398 
TYR   CA  HA   sing N N 399 
TYR   C   O    doub N N 400 
TYR   C   OXT  sing N N 401 
TYR   CB  CG   sing N N 402 
TYR   CB  HB2  sing N N 403 
TYR   CB  HB3  sing N N 404 
TYR   CG  CD1  doub Y N 405 
TYR   CG  CD2  sing Y N 406 
TYR   CD1 CE1  sing Y N 407 
TYR   CD1 HD1  sing N N 408 
TYR   CD2 CE2  doub Y N 409 
TYR   CD2 HD2  sing N N 410 
TYR   CE1 CZ   doub Y N 411 
TYR   CE1 HE1  sing N N 412 
TYR   CE2 CZ   sing Y N 413 
TYR   CE2 HE2  sing N N 414 
TYR   CZ  OH   sing N N 415 
TYR   OH  HH   sing N N 416 
TYR   OXT HXT  sing N N 417 
VAL   N   CA   sing N N 418 
VAL   N   H    sing N N 419 
VAL   N   H2   sing N N 420 
VAL   CA  C    sing N N 421 
VAL   CA  CB   sing N N 422 
VAL   CA  HA   sing N N 423 
VAL   C   O    doub N N 424 
VAL   C   OXT  sing N N 425 
VAL   CB  CG1  sing N N 426 
VAL   CB  CG2  sing N N 427 
VAL   CB  HB   sing N N 428 
VAL   CG1 HG11 sing N N 429 
VAL   CG1 HG12 sing N N 430 
VAL   CG1 HG13 sing N N 431 
VAL   CG2 HG21 sing N N 432 
VAL   CG2 HG22 sing N N 433 
VAL   CG2 HG23 sing N N 434 
VAL   OXT HXT  sing N N 435 
# 
_pdbx_audit_support.funding_organization   'Not funded' 
_pdbx_audit_support.country                ? 
_pdbx_audit_support.grant_number           ? 
_pdbx_audit_support.ordinal                1 
# 
_pdbx_initial_refinement_model.id               1 
_pdbx_initial_refinement_model.entity_id_list   ? 
_pdbx_initial_refinement_model.type             'experimental model' 
_pdbx_initial_refinement_model.source_name      PDB 
_pdbx_initial_refinement_model.accession_code   2IWG 
_pdbx_initial_refinement_model.details          ? 
# 
_space_group.name_H-M_alt     'P 62' 
_space_group.name_Hall        'P 62' 
_space_group.IT_number        171 
_space_group.crystal_system   hexagonal 
_space_group.id               1 
# 
_atom_sites.entry_id                    9II5 
_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]   0.015305 
_atom_sites.fract_transf_matrix[1][2]   0.008836 
_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]   0.017672 
_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]   0.013984 
_atom_sites.fract_transf_vector[1]      0.00000 
_atom_sites.fract_transf_vector[2]      0.00000 
_atom_sites.fract_transf_vector[3]      0.00000 
_atom_sites.solution_primary            ? 
_atom_sites.solution_secondary          ? 
_atom_sites.solution_hydrogens          ? 
_atom_sites.special_details             ? 
# 
loop_
_atom_type.symbol 
_atom_type.scat_dispersion_real 
_atom_type.scat_dispersion_imag 
_atom_type.scat_Cromer_Mann_a1 
_atom_type.scat_Cromer_Mann_a2 
_atom_type.scat_Cromer_Mann_a3 
_atom_type.scat_Cromer_Mann_a4 
_atom_type.scat_Cromer_Mann_b1 
_atom_type.scat_Cromer_Mann_b2 
_atom_type.scat_Cromer_Mann_b3 
_atom_type.scat_Cromer_Mann_b4 
_atom_type.scat_Cromer_Mann_c 
_atom_type.scat_source 
_atom_type.scat_dispersion_source 
C ? ? 3.54356 2.42580 ? ? 25.62398 1.50364  ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
F ? ? 4.90428 4.07044 ? ? 12.99538 1.63651  ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
H ? ? 0.51345 0.48472 ? ? 24.73122 6.32584  ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
N ? ? 4.01032 2.96436 ? ? 19.97189 1.75589  ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
O ? ? 4.49882 3.47563 ? ? 15.80542 1.70748  ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
S ? ? 9.55732 6.39887 ? ? 1.23737  29.19336 ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
# 
loop_
_atom_site.group_PDB 
_atom_site.id 
_atom_site.type_symbol 
_atom_site.label_atom_id 
_atom_site.label_alt_id 
_atom_site.label_comp_id 
_atom_site.label_asym_id 
_atom_site.label_entity_id 
_atom_site.label_seq_id 
_atom_site.pdbx_PDB_ins_code 
_atom_site.Cartn_x 
_atom_site.Cartn_y 
_atom_site.Cartn_z 
_atom_site.occupancy 
_atom_site.B_iso_or_equiv 
_atom_site.pdbx_formal_charge 
_atom_site.auth_seq_id 
_atom_site.auth_comp_id 
_atom_site.auth_asym_id 
_atom_site.auth_atom_id 
_atom_site.pdbx_PDB_model_num 
ATOM   1    N N    . VAL   A 1 1   ? 21.91644 -13.75936 -15.73095 1.000 41.23179 ? 287 VAL   A N    1 
ATOM   2    C CA   . VAL   A 1 1   ? 20.61283 -14.38065 -15.51705 1.000 40.66570 ? 287 VAL   A CA   1 
ATOM   3    C C    . VAL   A 1 1   ? 20.66912 -15.45670 -14.43408 1.000 36.07508 ? 287 VAL   A C    1 
ATOM   4    O O    . VAL   A 1 1   ? 19.68526 -15.68289 -13.73673 1.000 37.80877 ? 287 VAL   A O    1 
ATOM   5    C CB   . VAL   A 1 1   ? 20.01080 -14.94103 -16.83570 1.000 42.16406 ? 287 VAL   A CB   1 
ATOM   6    C CG1  . VAL   A 1 1   ? 18.52949 -14.61499 -16.93496 1.000 42.74814 ? 287 VAL   A CG1  1 
ATOM   7    C CG2  . VAL   A 1 1   ? 20.75696 -14.39486 -18.03948 1.000 43.14891 ? 287 VAL   A CG2  1 
ATOM   8    N N    . HIS   A 1 2   ? 21.81984 -16.11707 -14.29315 1.000 33.32586 ? 288 HIS   A N    1 
ATOM   9    C CA   . HIS   A 1 2   ? 21.96730 -17.26441 -13.39623 1.000 28.98961 ? 288 HIS   A CA   1 
ATOM   10   C C    . HIS   A 1 2   ? 22.64923 -16.78035 -12.12169 1.000 29.22449 ? 288 HIS   A C    1 
ATOM   11   O O    . HIS   A 1 2   ? 23.87252 -16.62977 -12.07902 1.000 29.68364 ? 288 HIS   A O    1 
ATOM   12   C CB   . HIS   A 1 2   ? 22.76059 -18.36997 -14.08874 1.000 30.63077 ? 288 HIS   A CB   1 
ATOM   13   C CG   . HIS   A 1 2   ? 23.08395 -19.54341 -13.21263 1.000 29.86142 ? 288 HIS   A CG   1 
ATOM   14   N ND1  . HIS   A 1 2   ? 22.20598 -20.58818 -13.00824 1.000 30.93719 ? 288 HIS   A ND1  1 
ATOM   15   C CD2  . HIS   A 1 2   ? 24.21139 -19.86248 -12.53143 1.000 29.81955 ? 288 HIS   A CD2  1 
ATOM   16   C CE1  . HIS   A 1 2   ? 22.76719 -21.48363 -12.21397 1.000 28.32085 ? 288 HIS   A CE1  1 
ATOM   17   N NE2  . HIS   A 1 2   ? 23.98524 -21.06855 -11.91239 1.000 28.65615 ? 288 HIS   A NE2  1 
ATOM   18   N N    . ILE   A 1 3   ? 21.84780 -16.53801 -11.07971 1.000 26.37255 ? 289 ILE   A N    1 
ATOM   19   C CA   . ILE   A 1 3   ? 22.38400 -16.00377 -9.83241  1.000 24.77617 ? 289 ILE   A CA   1 
ATOM   20   C C    . ILE   A 1 3   ? 23.32481 -17.00821 -9.18672  1.000 25.30678 ? 289 ILE   A C    1 
ATOM   21   O O    . ILE   A 1 3   ? 23.04845 -18.21232 -9.13281  1.000 24.11099 ? 289 ILE   A O    1 
ATOM   22   C CB   . ILE   A 1 3   ? 21.23796 -15.63404 -8.87591  1.000 25.20254 ? 289 ILE   A CB   1 
ATOM   23   C CG1  . ILE   A 1 3   ? 20.28880 -14.62779 -9.52669  1.000 24.60342 ? 289 ILE   A CG1  1 
ATOM   24   C CG2  . ILE   A 1 3   ? 21.79495 -15.08619 -7.56806  1.000 22.51216 ? 289 ILE   A CG2  1 
ATOM   25   C CD1  . ILE   A 1 3   ? 20.96329 -13.37110 -10.03915 1.000 25.67614 ? 289 ILE   A CD1  1 
ATOM   26   N N    . THR   A 1 4   ? 24.44750 -16.51526 -8.67885  1.000 23.87344 ? 290 THR   A N    1 
ATOM   27   C CA   . THR   A 1 4   ? 25.33905 -17.33820 -7.88162  1.000 24.04230 ? 290 THR   A CA   1 
ATOM   28   C C    . THR   A 1 4   ? 25.68713 -16.57835 -6.61508  1.000 23.11136 ? 290 THR   A C    1 
ATOM   29   O O    . THR   A 1 4   ? 25.79493 -15.34871 -6.62734  1.000 25.81225 ? 290 THR   A O    1 
ATOM   30   C CB   . THR   A 1 4   ? 26.61836 -17.73835 -8.64281  1.000 25.42692 ? 290 THR   A CB   1 
ATOM   31   O OG1  . THR   A 1 4   ? 27.27646 -16.56766 -9.13801  1.000 27.34673 ? 290 THR   A OG1  1 
ATOM   32   C CG2  . THR   A 1 4   ? 26.27815 -18.65996 -9.80856  1.000 26.59268 ? 290 THR   A CG2  1 
ATOM   33   N N    . LEU   A 1 5   ? 25.83204 -17.31419 -5.52403  1.000 20.81089 ? 291 LEU   A N    1 
ATOM   34   C CA   . LEU   A 1 5   ? 26.17027 -16.70767 -4.24693  1.000 21.38160 ? 291 LEU   A CA   1 
ATOM   35   C C    . LEU   A 1 5   ? 27.65363 -16.35557 -4.24886  1.000 23.94930 ? 291 LEU   A C    1 
ATOM   36   O O    . LEU   A 1 5   ? 28.47336 -17.06614 -4.83841  1.000 26.38659 ? 291 LEU   A O    1 
ATOM   37   C CB   . LEU   A 1 5   ? 25.81693 -17.67851 -3.12184  1.000 21.38038 ? 291 LEU   A CB   1 
ATOM   38   C CG   . LEU   A 1 5   ? 24.31756 -18.00431 -3.15707  1.000 21.12076 ? 291 LEU   A CG   1 
ATOM   39   C CD1  . LEU   A 1 5   ? 23.96976 -19.13250 -2.20204  1.000 23.70560 ? 291 LEU   A CD1  1 
ATOM   40   C CD2  . LEU   A 1 5   ? 23.49692 -16.74157 -2.85852  1.000 22.76030 ? 291 LEU   A CD2  1 
ATOM   41   N N    . ASP   A 1 6   ? 27.98883 -15.22758 -3.62372  1.000 22.48134 ? 292 ASP   A N    1 
ATOM   42   C CA   . ASP   A 1 6   ? 29.33322 -14.67381 -3.67188  1.000 24.70911 ? 292 ASP   A CA   1 
ATOM   43   C C    . ASP   A 1 6   ? 30.06289 -15.05443 -2.39340  1.000 24.93990 ? 292 ASP   A C    1 
ATOM   44   O O    . ASP   A 1 6   ? 29.77048 -14.47907 -1.32889  1.000 24.40409 ? 292 ASP   A O    1 
ATOM   45   C CB   . ASP   A 1 6   ? 29.24915 -13.15526 -3.80162  1.000 23.71499 ? 292 ASP   A CB   1 
ATOM   46   C CG   . ASP   A 1 6   ? 30.59741 -12.51603 -4.03811  1.000 26.32275 ? 292 ASP   A CG   1 
ATOM   47   O OD1  . ASP   A 1 6   ? 31.61364 -13.14767 -3.68250  1.000 28.19676 ? 292 ASP   A OD1  1 
ATOM   48   O OD2  . ASP   A 1 6   ? 30.63064 -11.39094 -4.59283  1.000 30.59967 ? 292 ASP   A OD2  1 
ATOM   49   N N    . PRO   A 1 7   ? 31.00785 -16.00157 -2.43955  1.000 26.44595 ? 293 PRO   A N    1 
ATOM   50   C CA   . PRO   A 1 7   ? 31.66596 -16.45264 -1.19971  1.000 26.20223 ? 293 PRO   A CA   1 
ATOM   51   C C    . PRO   A 1 7   ? 32.39933 -15.34740 -0.46962  1.000 24.82013 ? 293 PRO   A C    1 
ATOM   52   O O    . PRO   A 1 7   ? 32.52516 -15.41329 0.76062   1.000 25.69699 ? 293 PRO   A O    1 
ATOM   53   C CB   . PRO   A 1 7   ? 32.63384 -17.55405 -1.66457  1.000 26.30781 ? 293 PRO   A CB   1 
ATOM   54   C CG   . PRO   A 1 7   ? 32.56294 -17.58854 -3.13721  1.000 29.21117 ? 293 PRO   A CG   1 
ATOM   55   C CD   . PRO   A 1 7   ? 31.45671 -16.73091 -3.63658  1.000 28.32423 ? 293 PRO   A CD   1 
ATOM   56   N N    . ASP   A 1 8   ? 32.87823 -14.33242 -1.19239  1.000 25.84438 ? 294 ASP   A N    1 
ATOM   57   C CA   . ASP   A 1 8   ? 33.59413 -13.23759 -0.55292  1.000 26.80587 ? 294 ASP   A CA   1 
ATOM   58   C C    . ASP   A 1 8   ? 32.68396 -12.44113 0.36730   1.000 27.34880 ? 294 ASP   A C    1 
ATOM   59   O O    . ASP   A 1 8   ? 33.17375 -11.78815 1.29304   1.000 26.05091 ? 294 ASP   A O    1 
ATOM   60   C CB   . ASP   A 1 8   ? 34.20058 -12.31156 -1.60905  1.000 29.04885 ? 294 ASP   A CB   1 
ATOM   61   C CG   . ASP   A 1 8   ? 35.31980 -12.97768 -2.40036  1.000 31.26969 ? 294 ASP   A CG   1 
ATOM   62   O OD1  . ASP   A 1 8   ? 35.91873 -13.94796 -1.88641  1.000 33.84387 ? 294 ASP   A OD1  1 
ATOM   63   O OD2  . ASP   A 1 8   ? 35.60251 -12.52180 -3.52989  1.000 38.21501 ? 294 ASP   A OD2  1 
ATOM   64   N N    . THR   A 1 9   ? 31.37313 -12.48458 0.14132   1.000 23.43714 ? 295 THR   A N    1 
ATOM   65   C CA   . THR   A 1 9   ? 30.43779 -11.74649 0.98268   1.000 21.71433 ? 295 THR   A CA   1 
ATOM   66   C C    . THR   A 1 9   ? 29.89619 -12.57013 2.14428   1.000 21.13297 ? 295 THR   A C    1 
ATOM   67   O O    . THR   A 1 9   ? 29.28265 -11.99464 3.04362   1.000 20.63038 ? 295 THR   A O    1 
ATOM   68   C CB   . THR   A 1 9   ? 29.24850 -11.21807 0.15689   1.000 22.14197 ? 295 THR   A CB   1 
ATOM   69   O OG1  . THR   A 1 9   ? 28.42536 -12.31027 -0.28501  1.000 20.48687 ? 295 THR   A OG1  1 
ATOM   70   C CG2  . THR   A 1 9   ? 29.71660 -10.43869 -1.05361  1.000 21.77929 ? 295 THR   A CG2  1 
ATOM   71   N N    . ALA   A 1 10  ? 30.09270 -13.89113 2.13946   1.000 21.30741 ? 296 ALA   A N    1 
ATOM   72   C CA   . ALA   A 1 10  ? 29.35534 -14.78243 3.02666   1.000 20.05831 ? 296 ALA   A CA   1 
ATOM   73   C C    . ALA   A 1 10  ? 29.93258 -14.79355 4.44016   1.000 21.16956 ? 296 ALA   A C    1 
ATOM   74   O O    . ALA   A 1 10  ? 31.12331 -15.06466 4.63649   1.000 25.26970 ? 296 ALA   A O    1 
ATOM   75   C CB   . ALA   A 1 10  ? 29.35488 -16.20423 2.46377   1.000 22.63041 ? 296 ALA   A CB   1 
ATOM   76   N N    . ASN   A 1 11  ? 29.06981 -14.54957 5.41874   1.000 23.18444 ? 297 ASN   A N    1 
ATOM   77   C CA   . ASN   A 1 11  ? 29.43440 -14.68342 6.82445   1.000 23.11305 ? 297 ASN   A CA   1 
ATOM   78   C C    . ASN   A 1 11  ? 30.04593 -16.06410 7.08636   1.000 28.26709 ? 297 ASN   A C    1 
ATOM   79   O O    . ASN   A 1 11  ? 29.60827 -17.06162 6.49700   1.000 25.95292 ? 297 ASN   A O    1 
ATOM   80   C CB   . ASN   A 1 11  ? 28.17120 -14.47714 7.67090   1.000 22.60332 ? 297 ASN   A CB   1 
ATOM   81   C CG   . ASN   A 1 11  ? 28.40573 -14.64831 9.15254   1.000 25.37372 ? 297 ASN   A CG   1 
ATOM   82   O OD1  . ASN   A 1 11  ? 28.12045 -15.70812 9.70899   1.000 28.08378 ? 297 ASN   A OD1  1 
ATOM   83   N ND2  . ASN   A 1 11  ? 28.86713 -13.59033 9.81285   1.000 25.40071 ? 297 ASN   A ND2  1 
ATOM   84   N N    . PRO   A 1 12  ? 31.04987 -16.16568 7.96380   1.000 28.89449 ? 298 PRO   A N    1 
ATOM   85   C CA   . PRO   A 1 12  ? 31.71151 -17.46827 8.18925   1.000 33.38730 ? 298 PRO   A CA   1 
ATOM   86   C C    . PRO   A 1 12  ? 30.82485 -18.56127 8.79086   1.000 35.55841 ? 298 PRO   A C    1 
ATOM   87   O O    . PRO   A 1 12  ? 31.23758 -19.72888 8.77865   1.000 40.56978 ? 298 PRO   A O    1 
ATOM   88   C CB   . PRO   A 1 12  ? 32.88278 -17.11715 9.11908   1.000 37.88875 ? 298 PRO   A CB   1 
ATOM   89   C CG   . PRO   A 1 12  ? 33.12053 -15.65771 8.88325   1.000 32.70404 ? 298 PRO   A CG   1 
ATOM   90   C CD   . PRO   A 1 12  ? 31.75431 -15.06927 8.64783   1.000 28.53275 ? 298 PRO   A CD   1 
ATOM   91   N N    . TRP   A 1 13  ? 29.65193 -18.23463 9.33198   1.000 32.82369 ? 299 TRP   A N    1 
ATOM   92   C CA   . TRP   A 1 13  ? 28.70001 -19.25240 9.76984   1.000 34.61220 ? 299 TRP   A CA   1 
ATOM   93   C C    . TRP   A 1 13  ? 27.93515 -19.90335 8.62695   1.000 31.61099 ? 299 TRP   A C    1 
ATOM   94   O O    . TRP   A 1 13  ? 27.12628 -20.80487 8.88091   1.000 32.96770 ? 299 TRP   A O    1 
ATOM   95   C CB   . TRP   A 1 13  ? 27.72068 -18.69072 10.80395  1.000 38.57947 ? 299 TRP   A CB   1 
ATOM   96   C CG   . TRP   A 1 13  ? 28.33617 -18.44488 12.13689  1.000 43.29126 ? 299 TRP   A CG   1 
ATOM   97   C CD1  . TRP   A 1 13  ? 28.87181 -17.27920 12.59963  1.000 43.36405 ? 299 TRP   A CD1  1 
ATOM   98   C CD2  . TRP   A 1 13  ? 28.43066 -19.38716 13.21063  1.000 46.63476 ? 299 TRP   A CD2  1 
ATOM   99   N NE1  . TRP   A 1 13  ? 29.32599 -17.44877 13.88864  1.000 45.31685 ? 299 TRP   A NE1  1 
ATOM   100  C CE2  . TRP   A 1 13  ? 29.06242 -18.73423 14.28610  1.000 47.03994 ? 299 TRP   A CE2  1 
ATOM   101  C CE3  . TRP   A 1 13  ? 28.05386 -20.72607 13.36012  1.000 48.84649 ? 299 TRP   A CE3  1 
ATOM   102  C CZ2  . TRP   A 1 13  ? 29.32559 -19.37450 15.49618  1.000 48.03882 ? 299 TRP   A CZ2  1 
ATOM   103  C CZ3  . TRP   A 1 13  ? 28.31641 -21.36083 14.56290  1.000 50.24355 ? 299 TRP   A CZ3  1 
ATOM   104  C CH2  . TRP   A 1 13  ? 28.94580 -20.68389 15.61435  1.000 49.41476 ? 299 TRP   A CH2  1 
ATOM   105  N N    . LEU   A 1 14  ? 28.16377 -19.48169 7.39082   1.000 27.45733 ? 300 LEU   A N    1 
ATOM   106  C CA   . LEU   A 1 14  ? 27.43845 -20.00613 6.24371   1.000 26.30309 ? 300 LEU   A CA   1 
ATOM   107  C C    . LEU   A 1 14  ? 28.28733 -21.03111 5.50485   1.000 27.20126 ? 300 LEU   A C    1 
ATOM   108  O O    . LEU   A 1 14  ? 29.50955 -20.88315 5.39724   1.000 29.62887 ? 300 LEU   A O    1 
ATOM   109  C CB   . LEU   A 1 14  ? 27.07450 -18.86652 5.28885   1.000 23.96630 ? 300 LEU   A CB   1 
ATOM   110  C CG   . LEU   A 1 14  ? 26.16087 -17.81336 5.91422   1.000 23.19032 ? 300 LEU   A CG   1 
ATOM   111  C CD1  . LEU   A 1 14  ? 25.78343 -16.75381 4.89047   1.000 20.18972 ? 300 LEU   A CD1  1 
ATOM   112  C CD2  . LEU   A 1 14  ? 24.91440 -18.45928 6.48531   1.000 22.58131 ? 300 LEU   A CD2  1 
ATOM   113  N N    . ILE   A 1 15  ? 27.62194 -22.06593 4.99280   1.000 25.30002 ? 301 ILE   A N    1 
ATOM   114  C CA   . ILE   A 1 15  ? 28.20981 -23.06013 4.09983   1.000 25.24961 ? 301 ILE   A CA   1 
ATOM   115  C C    . ILE   A 1 15  ? 27.56811 -22.86687 2.73482   1.000 24.21426 ? 301 ILE   A C    1 
ATOM   116  O O    . ILE   A 1 15  ? 26.34421 -22.97594 2.60649   1.000 24.64892 ? 301 ILE   A O    1 
ATOM   117  C CB   . ILE   A 1 15  ? 27.93596 -24.48207 4.60992   1.000 26.79966 ? 301 ILE   A CB   1 
ATOM   118  C CG1  . ILE   A 1 15  ? 28.40632 -24.63584 6.05257   1.000 28.93510 ? 301 ILE   A CG1  1 
ATOM   119  C CG2  . ILE   A 1 15  ? 28.56516 -25.51818 3.68824   1.000 26.95003 ? 301 ILE   A CG2  1 
ATOM   120  C CD1  . ILE   A 1 15  ? 28.27904 -26.04261 6.58469   1.000 28.31793 ? 301 ILE   A CD1  1 
ATOM   121  N N    . LEU   A 1 16  ? 28.38195 -22.56408 1.72500   1.000 22.98123 ? 302 LEU   A N    1 
ATOM   122  C CA   . LEU   A 1 16  ? 27.92157 -22.44284 0.34798   1.000 23.79389 ? 302 LEU   A CA   1 
ATOM   123  C C    . LEU   A 1 16  ? 28.24476 -23.71096 -0.43141  1.000 25.82746 ? 302 LEU   A C    1 
ATOM   124  O O    . LEU   A 1 16  ? 29.31714 -24.29673 -0.27057  1.000 26.58531 ? 302 LEU   A O    1 
ATOM   125  C CB   . LEU   A 1 16  ? 28.58053 -21.25101 -0.34355  1.000 25.44879 ? 302 LEU   A CB   1 
ATOM   126  C CG   . LEU   A 1 16  ? 27.94939 -19.89097 -0.06846  1.000 25.01410 ? 302 LEU   A CG   1 
ATOM   127  C CD1  . LEU   A 1 16  ? 28.05794 -19.54144 1.41668   1.000 27.56146 ? 302 LEU   A CD1  1 
ATOM   128  C CD2  . LEU   A 1 16  ? 28.61132 -18.82954 -0.93597  1.000 26.03078 ? 302 LEU   A CD2  1 
ATOM   129  N N    . SER   A 1 17  ? 27.32442 -24.12136 -1.29637  1.000 23.46769 ? 303 SER   A N    1 
ATOM   130  C CA   . SER   A 1 17  ? 27.59876 -25.27651 -2.13431  1.000 25.00882 ? 303 SER   A CA   1 
ATOM   131  C C    . SER   A 1 17  ? 28.64673 -24.92948 -3.19119  1.000 25.66113 ? 303 SER   A C    1 
ATOM   132  O O    . SER   A 1 17  ? 28.90059 -23.76315 -3.49312  1.000 25.72720 ? 303 SER   A O    1 
ATOM   133  C CB   . SER   A 1 17  ? 26.31423 -25.76027 -2.79597  1.000 23.60745 ? 303 SER   A CB   1 
ATOM   134  O OG   . SER   A 1 17  ? 25.76270 -24.74049 -3.60257  1.000 21.22835 ? 303 SER   A OG   1 
ATOM   135  N N    . GLU   A 1 18  ? 29.27272 -25.96951 -3.74936  1.000 25.25985 ? 304 GLU   A N    1 
ATOM   136  C CA   . GLU   A 1 18  ? 30.32235 -25.73623 -4.73669  1.000 27.69406 ? 304 GLU   A CA   1 
ATOM   137  C C    . GLU   A 1 18  ? 29.78523 -24.96596 -5.93697  1.000 25.96507 ? 304 GLU   A C    1 
ATOM   138  O O    . GLU   A 1 18  ? 30.45092 -24.05298 -6.44624  1.000 27.20317 ? 304 GLU   A O    1 
ATOM   139  C CB   . GLU   A 1 18  ? 30.96672 -27.05961 -5.15886  1.000 31.75537 ? 304 GLU   A CB   1 
ATOM   140  C CG   . GLU   A 1 18  ? 32.10464 -26.90742 -6.16942  1.000 34.38524 ? 304 GLU   A CG   1 
ATOM   141  C CD   . GLU   A 1 18  ? 32.17679 -28.06034 -7.16969  1.000 41.33893 ? 304 GLU   A CD   1 
ATOM   142  O OE1  . GLU   A 1 18  ? 31.97278 -27.81535 -8.38198  1.000 44.01809 ? 304 GLU   A OE1  1 
ATOM   143  O OE2  . GLU   A 1 18  ? 32.44872 -29.21206 -6.75333  1.000 42.98543 ? 304 GLU   A OE2  1 
ATOM   144  N N    . ASP   A 1 19  ? 28.56501 -25.28835 -6.38341  1.000 24.64092 ? 305 ASP   A N    1 
ATOM   145  C CA   . ASP   A 1 19  ? 28.00896 -24.57880 -7.52873  1.000 23.38822 ? 305 ASP   A CA   1 
ATOM   146  C C    . ASP   A 1 19  ? 27.44144 -23.22131 -7.14880  1.000 21.35688 ? 305 ASP   A C    1 
ATOM   147  O O    . ASP   A 1 19  ? 26.88893 -22.54083 -8.01649  1.000 22.69605 ? 305 ASP   A O    1 
ATOM   148  C CB   . ASP   A 1 19  ? 26.96554 -25.41068 -8.31114  1.000 22.73221 ? 305 ASP   A CB   1 
ATOM   149  C CG   . ASP   A 1 19  ? 25.69717 -25.73098 -7.50869  1.000 23.21309 ? 305 ASP   A CG   1 
ATOM   150  O OD1  . ASP   A 1 19  ? 25.51049 -25.17913 -6.40399  1.000 21.55881 ? 305 ASP   A OD1  1 
ATOM   151  O OD2  . ASP   A 1 19  ? 24.84218 -26.49868 -8.03103  1.000 23.47648 ? 305 ASP   A OD2  1 
ATOM   152  N N    . ARG   A 1 20  ? 27.55458 -22.84003 -5.87292  1.000 21.74120 ? 306 ARG   A N    1 
ATOM   153  C CA   . ARG   A 1 20  ? 27.17877 -21.50954 -5.39102  1.000 22.60549 ? 306 ARG   A CA   1 
ATOM   154  C C    . ARG   A 1 20  ? 25.69034 -21.21703 -5.57867  1.000 22.39487 ? 306 ARG   A C    1 
ATOM   155  O O    . ARG   A 1 20  ? 25.28177 -20.06431 -5.75837  1.000 22.18681 ? 306 ARG   A O    1 
ATOM   156  C CB   . ARG   A 1 20  ? 28.07535 -20.42815 -5.99534  1.000 25.26750 ? 306 ARG   A CB   1 
ATOM   157  C CG   . ARG   A 1 20  ? 29.51566 -20.59558 -5.54767  1.000 27.33853 ? 306 ARG   A CG   1 
ATOM   158  C CD   . ARG   A 1 20  ? 30.42151 -19.55868 -6.15228  1.000 31.31062 ? 306 ARG   A CD   1 
ATOM   159  N NE   . ARG   A 1 20  ? 31.81530 -19.81145 -5.80611  1.000 32.92893 ? 306 ARG   A NE   1 
ATOM   160  C CZ   . ARG   A 1 20  ? 32.83732 -19.10796 -6.27447  1.000 36.25093 ? 306 ARG   A CZ   1 
ATOM   161  N NH1  . ARG   A 1 20  ? 32.65488 -18.09440 -7.10330  1.000 36.82002 ? 306 ARG   A NH1  1 
ATOM   162  N NH2  . ARG   A 1 20  ? 34.07274 -19.43493 -5.90578  1.000 37.49366 ? 306 ARG   A NH2  1 
ATOM   163  N N    . ARG   A 1 21  ? 24.87101 -22.26959 -5.54036  1.000 20.22675 ? 307 ARG   A N    1 
ATOM   164  C CA   . ARG   A 1 21  ? 23.42399 -22.13820 -5.64490  1.000 20.52721 ? 307 ARG   A CA   1 
ATOM   165  C C    . ARG   A 1 21  ? 22.69417 -22.47129 -4.35643  1.000 19.43883 ? 307 ARG   A C    1 
ATOM   166  O O    . ARG   A 1 21  ? 21.46432 -22.34977 -4.32094  1.000 20.61028 ? 307 ARG   A O    1 
ATOM   167  C CB   . ARG   A 1 21  ? 22.88040 -23.01856 -6.77503  1.000 21.35070 ? 307 ARG   A CB   1 
ATOM   168  C CG   . ARG   A 1 21  ? 23.45984 -22.64065 -8.10889  1.000 24.26701 ? 307 ARG   A CG   1 
ATOM   169  C CD   . ARG   A 1 21  ? 22.73200 -21.44143 -8.69757  1.000 22.46743 ? 307 ARG   A CD   1 
ATOM   170  N NE   . ARG   A 1 21  ? 21.41758 -21.78470 -9.23959  1.000 22.58651 ? 307 ARG   A NE   1 
ATOM   171  C CZ   . ARG   A 1 21  ? 20.58667 -20.91565 -9.79740  1.000 21.69551 ? 307 ARG   A CZ   1 
ATOM   172  N NH1  . ARG   A 1 21  ? 20.91019 -19.63971 -9.93785  1.000 23.37895 ? 307 ARG   A NH1  1 
ATOM   173  N NH2  . ARG   A 1 21  ? 19.39795 -21.33791 -10.23383 1.000 23.80586 ? 307 ARG   A NH2  1 
ATOM   174  N N    . GLN   A 1 22  ? 23.39939 -22.90969 -3.31519  1.000 19.40421 ? 308 GLN   A N    1 
ATOM   175  C CA   . GLN   A 1 22  ? 22.78214 -23.26066 -2.04482  1.000 18.55310 ? 308 GLN   A CA   1 
ATOM   176  C C    . GLN   A 1 22  ? 23.60512 -22.64695 -0.92421  1.000 21.11121 ? 308 GLN   A C    1 
ATOM   177  O O    . GLN   A 1 22  ? 24.83773 -22.60608 -0.99467  1.000 21.94567 ? 308 GLN   A O    1 
ATOM   178  C CB   . GLN   A 1 22  ? 22.77843 -24.77166 -1.88342  1.000 22.06446 ? 308 GLN   A CB   1 
ATOM   179  C CG   . GLN   A 1 22  ? 21.65663 -25.40999 -2.65689  1.000 23.13800 ? 308 GLN   A CG   1 
ATOM   180  C CD   . GLN   A 1 22  ? 21.55366 -26.88869 -2.39911  1.000 24.68667 ? 308 GLN   A CD   1 
ATOM   181  O OE1  . GLN   A 1 22  ? 20.52302 -27.38531 -1.93240  1.000 27.78091 ? 308 GLN   A OE1  1 
ATOM   182  N NE2  . GLN   A 1 22  ? 22.64943 -27.59841 -2.63326  1.000 25.80403 ? 308 GLN   A NE2  1 
ATOM   183  N N    . VAL   A 1 23  ? 22.92222 -22.16735 0.10959   1.000 20.43445 ? 309 VAL   A N    1 
ATOM   184  C CA   . VAL   A 1 23  ? 23.58357 -21.67800 1.31478   1.000 20.57228 ? 309 VAL   A CA   1 
ATOM   185  C C    . VAL   A 1 23  ? 22.79725 -22.16560 2.52238   1.000 20.45864 ? 309 VAL   A C    1 
ATOM   186  O O    . VAL   A 1 23  ? 21.56457 -22.24183 2.48251   1.000 20.70859 ? 309 VAL   A O    1 
ATOM   187  C CB   . VAL   A 1 23  ? 23.75182 -20.14150 1.29755   1.000 20.02171 ? 309 VAL   A CB   1 
ATOM   188  C CG1  . VAL   A 1 23  ? 22.39114 -19.43069 1.25001   1.000 20.75326 ? 309 VAL   A CG1  1 
ATOM   189  C CG2  . VAL   A 1 23  ? 24.55007 -19.67773 2.51602   1.000 21.78406 ? 309 VAL   A CG2  1 
ATOM   190  N N    . ARG   A 1 24  ? 23.51529 -22.51699 3.59446   1.000 20.45088 ? 310 ARG   A N    1 
ATOM   191  C CA   . ARG   A 1 24  ? 22.89204 -22.99763 4.81984   1.000 21.56283 ? 310 ARG   A CA   1 
ATOM   192  C C    . ARG   A 1 24  ? 23.74587 -22.57231 6.00476   1.000 21.74131 ? 310 ARG   A C    1 
ATOM   193  O O    . ARG   A 1 24  ? 24.90245 -22.16879 5.84478   1.000 21.53392 ? 310 ARG   A O    1 
ATOM   194  C CB   . ARG   A 1 24  ? 22.69708 -24.52742 4.81451   1.000 23.00837 ? 310 ARG   A CB   1 
ATOM   195  C CG   . ARG   A 1 24  ? 23.97667 -25.34803 5.03483   1.000 25.01919 ? 310 ARG   A CG   1 
ATOM   196  C CD   . ARG   A 1 24  ? 23.64533 -26.79331 5.44683   1.000 27.70050 ? 310 ARG   A CD   1 
ATOM   197  N NE   . ARG   A 1 24  ? 24.83749 -27.60327 5.69462   1.000 28.89830 ? 310 ARG   A NE   1 
ATOM   198  C CZ   . ARG   A 1 24  ? 25.69054 -27.96644 4.74458   1.000 27.68741 ? 310 ARG   A CZ   1 
ATOM   199  N NH1  . ARG   A 1 24  ? 25.55769 -27.53932 3.49977   1.000 26.37601 ? 310 ARG   A NH1  1 
ATOM   200  N NH2  . ARG   A 1 24  ? 26.71059 -28.76566 5.05228   1.000 31.25891 ? 310 ARG   A NH2  1 
ATOM   201  N N    . LEU   A 1 25  ? 23.14545 -22.64637 7.19464   1.000 23.51982 ? 311 LEU   A N    1 
ATOM   202  C CA   . LEU   A 1 25  ? 23.86282 -22.40122 8.43808   1.000 25.06634 ? 311 LEU   A CA   1 
ATOM   203  C C    . LEU   A 1 25  ? 24.73338 -23.60244 8.77697   1.000 27.96804 ? 311 LEU   A C    1 
ATOM   204  O O    . LEU   A 1 25  ? 24.26360 -24.74779 8.76732   1.000 29.12115 ? 311 LEU   A O    1 
ATOM   205  C CB   . LEU   A 1 25  ? 22.87690 -22.14468 9.57799   1.000 26.03163 ? 311 LEU   A CB   1 
ATOM   206  C CG   . LEU   A 1 25  ? 22.01222 -20.88866 9.46616   1.000 25.72342 ? 311 LEU   A CG   1 
ATOM   207  C CD1  . LEU   A 1 25  ? 20.82603 -20.97876 10.41029  1.000 25.06056 ? 311 LEU   A CD1  1 
ATOM   208  C CD2  . LEU   A 1 25  ? 22.83193 -19.63575 9.75084   1.000 26.82439 ? 311 LEU   A CD2  1 
ATOM   209  N N    . GLY   A 1 26  ? 26.00787 -23.33534 9.06821   1.000 30.33231 ? 312 GLY   A N    1 
ATOM   210  C CA   . GLY   A 1 26  ? 26.91093 -24.35602 9.55073   1.000 35.72656 ? 312 GLY   A CA   1 
ATOM   211  C C    . GLY   A 1 26  ? 26.91146 -24.43113 11.06638  1.000 43.92421 ? 312 GLY   A C    1 
ATOM   212  O O    . GLY   A 1 26  ? 26.26340 -23.65114 11.76502  1.000 42.09046 ? 312 GLY   A O    1 
ATOM   213  N N    . ASP   A 1 27  ? 27.66570 -25.40068 11.57974  1.000 47.80505 ? 313 ASP   A N    1 
ATOM   214  C CA   . ASP   A 1 27  ? 27.71500 -25.62167 13.01694  1.000 51.38951 ? 313 ASP   A CA   1 
ATOM   215  C C    . ASP   A 1 27  ? 28.86625 -24.89661 13.69600  1.000 53.18967 ? 313 ASP   A C    1 
ATOM   216  O O    . ASP   A 1 27  ? 28.84635 -24.74898 14.92342  1.000 54.59423 ? 313 ASP   A O    1 
ATOM   217  C CB   . ASP   A 1 27  ? 27.78630 -27.12039 13.32208  1.000 53.07089 ? 313 ASP   A CB   1 
ATOM   218  C CG   . ASP   A 1 27  ? 26.43400 -27.70214 13.68033  1.000 55.09903 ? 313 ASP   A CG   1 
ATOM   219  O OD1  . ASP   A 1 27  ? 25.88234 -27.31238 14.73165  1.000 55.36786 ? 313 ASP   A OD1  1 
ATOM   220  O OD2  . ASP   A 1 27  ? 25.92031 -28.54205 12.90861  1.000 57.45733 ? 313 ASP   A OD2  1 
ATOM   221  N N    . THR   A 1 28  ? 29.85857 -24.43734 12.93492  1.000 53.85929 ? 314 THR   A N    1 
ATOM   222  C CA   . THR   A 1 28  ? 31.02984 -23.78056 13.49903  1.000 55.92351 ? 314 THR   A CA   1 
ATOM   223  C C    . THR   A 1 28  ? 31.45345 -22.63704 12.59192  1.000 56.06663 ? 314 THR   A C    1 
ATOM   224  O O    . THR   A 1 28  ? 31.58710 -22.82246 11.37804  1.000 57.35796 ? 314 THR   A O    1 
ATOM   225  C CB   . THR   A 1 28  ? 32.19681 -24.76714 13.63249  1.000 57.74662 ? 314 THR   A CB   1 
ATOM   226  O OG1  . THR   A 1 28  ? 32.80084 -24.97070 12.34727  1.000 58.81160 ? 314 THR   A OG1  1 
ATOM   227  C CG2  . THR   A 1 28  ? 31.71350 -26.10096 14.18261  1.000 58.00051 ? 314 THR   A CG2  1 
ATOM   228  N N    . GLN   A 1 29  ? 31.66781 -21.46034 13.18246  1.000 54.43738 ? 315 GLN   A N    1 
ATOM   229  C CA   . GLN   A 1 29  ? 32.25991 -20.35043 12.44657  1.000 52.72013 ? 315 GLN   A CA   1 
ATOM   230  C C    . GLN   A 1 29  ? 33.51848 -20.83050 11.73084  1.000 57.94502 ? 315 GLN   A C    1 
ATOM   231  O O    . GLN   A 1 29  ? 34.55146 -21.07062 12.36626  1.000 60.34160 ? 315 GLN   A O    1 
ATOM   232  C CB   . GLN   A 1 29  ? 32.58228 -19.18107 13.38423  1.000 49.37648 ? 315 GLN   A CB   1 
ATOM   233  C CG   . GLN   A 1 29  ? 32.70383 -17.83031 12.67890  1.000 47.19841 ? 315 GLN   A CG   1 
ATOM   234  C CD   . GLN   A 1 29  ? 32.80794 -16.65844 13.64567  1.000 43.39364 ? 315 GLN   A CD   1 
ATOM   235  O OE1  . GLN   A 1 29  ? 32.00260 -15.72334 13.60026  1.000 43.18239 ? 315 GLN   A OE1  1 
ATOM   236  N NE2  . GLN   A 1 29  ? 33.80806 -16.70231 14.52431  1.000 42.30750 ? 315 GLN   A NE2  1 
ATOM   237  N N    . GLN   A 1 30  ? 33.43277 -20.98833 10.41258  1.000 58.28017 ? 316 GLN   A N    1 
ATOM   238  C CA   . GLN   A 1 30  ? 34.55132 -21.48481 9.62784   1.000 62.42518 ? 316 GLN   A CA   1 
ATOM   239  C C    . GLN   A 1 30  ? 35.71093 -20.49190 9.65922   1.000 64.42714 ? 316 GLN   A C    1 
ATOM   240  O O    . GLN   A 1 30  ? 35.55700 -19.32058 10.01618  1.000 61.05687 ? 316 GLN   A O    1 
ATOM   241  C CB   . GLN   A 1 30  ? 34.10860 -21.71848 8.18433   1.000 64.79702 ? 316 GLN   A CB   1 
ATOM   242  C CG   . GLN   A 1 30  ? 33.08994 -22.84061 8.04097   1.000 69.46213 ? 316 GLN   A CG   1 
ATOM   243  C CD   . GLN   A 1 30  ? 32.57969 -22.99879 6.61944   1.000 76.25543 ? 316 GLN   A CD   1 
ATOM   244  O OE1  . GLN   A 1 30  ? 32.59597 -22.05148 5.83257   1.000 82.66543 ? 316 GLN   A OE1  1 
ATOM   245  N NE2  . GLN   A 1 30  ? 32.10958 -24.19776 6.28797   1.000 77.18543 ? 316 GLN   A NE2  1 
ATOM   246  N N    . SER   A 1 31  ? 36.88605 -20.97577 9.27317   1.000 66.15707 ? 317 SER   A N    1 
ATOM   247  C CA   . SER   A 1 31  ? 38.10281 -20.16331 9.29047   1.000 66.84863 ? 317 SER   A CA   1 
ATOM   248  C C    . SER   A 1 31  ? 38.49213 -19.74177 7.87506   1.000 65.19863 ? 317 SER   A C    1 
ATOM   249  O O    . SER   A 1 31  ? 39.55274 -20.09382 7.35254   1.000 66.50141 ? 317 SER   A O    1 
ATOM   250  C CB   . SER   A 1 31  ? 39.23362 -20.91845 9.98055   1.000 70.25980 ? 317 SER   A CB   1 
ATOM   251  O OG   . SER   A 1 31  ? 39.31034 -20.57656 11.35247  1.000 71.60591 ? 317 SER   A OG   1 
ATOM   252  N N    . ILE   A 1 32  ? 37.60782 -18.96337 7.26018   1.000 61.99743 ? 318 ILE   A N    1 
ATOM   253  C CA   . ILE   A 1 32  ? 37.81591 -18.47246 5.90057   1.000 59.58847 ? 318 ILE   A CA   1 
ATOM   254  C C    . ILE   A 1 32  ? 38.61451 -17.17508 5.94875   1.000 56.66438 ? 318 ILE   A C    1 
ATOM   255  O O    . ILE   A 1 32  ? 38.63979 -16.50004 6.98859   1.000 56.31085 ? 318 ILE   A O    1 
ATOM   256  C CB   . ILE   A 1 32  ? 36.47940 -18.29361 5.16322   1.000 56.90013 ? 318 ILE   A CB   1 
ATOM   257  C CG1  . ILE   A 1 32  ? 35.65921 -17.17581 5.80699   1.000 50.94077 ? 318 ILE   A CG1  1 
ATOM   258  C CG2  . ILE   A 1 32  ? 35.69211 -19.59538 5.16423   1.000 61.23476 ? 318 ILE   A CG2  1 
ATOM   259  C CD1  . ILE   A 1 32  ? 34.25869 -17.05935 5.25041   1.000 43.42987 ? 318 ILE   A CD1  1 
ATOM   260  N N    . PRO   A 1 33  ? 39.27476 -16.78882 4.86106   1.000 54.85890 ? 319 PRO   A N    1 
ATOM   261  C CA   . PRO   A 1 33  ? 40.06973 -15.55833 4.87824   1.000 52.82018 ? 319 PRO   A CA   1 
ATOM   262  C C    . PRO   A 1 33  ? 39.18380 -14.33203 5.00873   1.000 49.64146 ? 319 PRO   A C    1 
ATOM   263  O O    . PRO   A 1 33  ? 37.98674 -14.35606 4.71727   1.000 47.79847 ? 319 PRO   A O    1 
ATOM   264  C CB   . PRO   A 1 33  ? 40.77330 -15.57576 3.51722   1.000 52.97757 ? 319 PRO   A CB   1 
ATOM   265  C CG   . PRO   A 1 33  ? 39.87231 -16.39493 2.65162   1.000 53.25172 ? 319 PRO   A CG   1 
ATOM   266  C CD   . PRO   A 1 33  ? 39.33390 -17.46537 3.55485   1.000 54.82216 ? 319 PRO   A CD   1 
ATOM   267  N N    . GLY   A 1 34  ? 39.80114 -13.24076 5.45763   1.000 48.26638 ? 320 GLY   A N    1 
ATOM   268  C CA   . GLY   A 1 34  ? 39.09316 -11.98985 5.60058   1.000 44.54981 ? 320 GLY   A CA   1 
ATOM   269  C C    . GLY   A 1 34  ? 39.10886 -11.16204 4.32992   1.000 44.21214 ? 320 GLY   A C    1 
ATOM   270  O O    . GLY   A 1 34  ? 39.96410 -11.33345 3.46380   1.000 45.57130 ? 320 GLY   A O    1 
ATOM   271  N N    . ASN   A 1 35  ? 38.13632 -10.25954 4.22765   1.000 42.61477 ? 321 ASN   A N    1 
ATOM   272  C CA   . ASN   A 1 35  ? 38.04610 -9.33179  3.10680   1.000 41.55873 ? 321 ASN   A CA   1 
ATOM   273  C C    . ASN   A 1 35  ? 36.89365 -8.36802  3.36440   1.000 37.94500 ? 321 ASN   A C    1 
ATOM   274  O O    . ASN   A 1 35  ? 35.93034 -8.71200  4.06083   1.000 36.60688 ? 321 ASN   A O    1 
ATOM   275  C CB   . ASN   A 1 35  ? 37.86622 -10.07853 1.77959   1.000 42.19962 ? 321 ASN   A CB   1 
ATOM   276  C CG   . ASN   A 1 35  ? 36.42623 -10.16463 1.35239   1.000 35.54581 ? 321 ASN   A CG   1 
ATOM   277  O OD1  . ASN   A 1 35  ? 35.91773 -9.28082  0.66644   1.000 39.14193 ? 321 ASN   A OD1  1 
ATOM   278  N ND2  . ASN   A 1 35  ? 35.75116 -11.23179 1.76367   1.000 37.82998 ? 321 ASN   A ND2  1 
ATOM   279  N N    . GLU   A 1 36  ? 37.00085 -7.16103  2.79059   1.000 37.84182 ? 322 GLU   A N    1 
ATOM   280  C CA   . GLU   A 1 36  ? 36.13134 -6.06498  3.20992   1.000 37.44075 ? 322 GLU   A CA   1 
ATOM   281  C C    . GLU   A 1 36  ? 34.66524 -6.33950  2.90569   1.000 34.69448 ? 322 GLU   A C    1 
ATOM   282  O O    . GLU   A 1 36  ? 33.79096 -5.72381  3.52805   1.000 34.83338 ? 322 GLU   A O    1 
ATOM   283  C CB   . GLU   A 1 36  ? 36.51305 -4.72898  2.55217   1.000 40.09670 ? 322 GLU   A CB   1 
ATOM   284  C CG   . GLU   A 1 36  ? 36.15105 -4.56258  1.06204   1.000 41.59242 ? 322 GLU   A CG   1 
ATOM   285  C CD   . GLU   A 1 36  ? 37.10302 -5.24214  0.09578   1.000 43.84415 ? 322 GLU   A CD   1 
ATOM   286  O OE1  . GLU   A 1 36  ? 38.03098 -5.94763  0.55491   1.000 46.13336 ? 322 GLU   A OE1  1 
ATOM   287  O OE2  . GLU   A 1 36  ? 36.91075 -5.06662  -1.13423  1.000 44.60062 ? 322 GLU   A OE2  1 
ATOM   288  N N    . GLU   A 1 37  ? 34.37493 -7.24383  1.96880   1.000 32.99104 ? 323 GLU   A N    1 
ATOM   289  C CA   . GLU   A 1 37  ? 33.01413 -7.45060  1.48897   1.000 30.35977 ? 323 GLU   A CA   1 
ATOM   290  C C    . GLU   A 1 37  ? 32.16832 -8.32235  2.40581   1.000 27.00165 ? 323 GLU   A C    1 
ATOM   291  O O    . GLU   A 1 37  ? 30.94799 -8.36411  2.22746   1.000 24.51993 ? 323 GLU   A O    1 
ATOM   292  C CB   . GLU   A 1 37  ? 33.04029 -8.09780  0.10194   1.000 31.09347 ? 323 GLU   A CB   1 
ATOM   293  C CG   . GLU   A 1 37  ? 33.89661 -7.37586  -0.91394  1.000 32.40415 ? 323 GLU   A CG   1 
ATOM   294  C CD   . GLU   A 1 37  ? 33.97011 -8.11775  -2.23730  1.000 35.54861 ? 323 GLU   A CD   1 
ATOM   295  O OE1  . GLU   A 1 37  ? 33.67570 -9.33170  -2.25682  1.000 36.18768 ? 323 GLU   A OE1  1 
ATOM   296  O OE2  . GLU   A 1 37  ? 34.32939 -7.48866  -3.25502  1.000 37.89731 ? 323 GLU   A OE2  1 
ATOM   297  N N    . ARG   A 1 38  ? 32.76761 -9.00954  3.37403   1.000 25.32545 ? 324 ARG   A N    1 
ATOM   298  C CA   . ARG   A 1 38  ? 32.06647 -10.04969 4.11903   1.000 23.92373 ? 324 ARG   A CA   1 
ATOM   299  C C    . ARG   A 1 38  ? 31.19022 -9.49453  5.24499   1.000 24.28691 ? 324 ARG   A C    1 
ATOM   300  O O    . ARG   A 1 38  ? 31.63236 -8.65471  6.03487   1.000 22.63005 ? 324 ARG   A O    1 
ATOM   301  C CB   . ARG   A 1 38  ? 33.07920 -11.03844 4.69084   1.000 25.58791 ? 324 ARG   A CB   1 
ATOM   302  C CG   . ARG   A 1 38  ? 32.45832 -12.35212 5.10248   1.000 25.77320 ? 324 ARG   A CG   1 
ATOM   303  C CD   . ARG   A 1 38  ? 33.51587 -13.29524 5.61496   1.000 29.16775 ? 324 ARG   A CD   1 
ATOM   304  N NE   . ARG   A 1 38  ? 34.66693 -13.30235 4.72010   1.000 32.33868 ? 324 ARG   A NE   1 
ATOM   305  C CZ   . ARG   A 1 38  ? 34.73032 -14.00268 3.59618   1.000 32.47271 ? 324 ARG   A CZ   1 
ATOM   306  N NH1  . ARG   A 1 38  ? 33.71577 -14.75017 3.19059   1.000 31.68667 ? 324 ARG   A NH1  1 
ATOM   307  N NH2  . ARG   A 1 38  ? 35.83568 -13.94732 2.85780   1.000 35.98713 ? 324 ARG   A NH2  1 
ATOM   308  N N    . PHE   A 1 39  ? 29.95373 -9.99343  5.34453   1.000 21.12976 ? 325 PHE   A N    1 
ATOM   309  C CA   . PHE   A 1 39  ? 29.09013 -9.67613  6.48445   1.000 20.78984 ? 325 PHE   A CA   1 
ATOM   310  C C    . PHE   A 1 39  ? 29.61532 -10.39257 7.72673   1.000 23.04610 ? 325 PHE   A C    1 
ATOM   311  O O    . PHE   A 1 39  ? 29.57949 -11.62490 7.79921   1.000 22.22373 ? 325 PHE   A O    1 
ATOM   312  C CB   . PHE   A 1 39  ? 27.63854 -10.07761 6.20262   1.000 20.93216 ? 325 PHE   A CB   1 
ATOM   313  C CG   . PHE   A 1 39  ? 26.95350 -9.23727  5.15369   1.000 19.83578 ? 325 PHE   A CG   1 
ATOM   314  C CD1  . PHE   A 1 39  ? 26.43363 -7.99687  5.48348   1.000 19.78251 ? 325 PHE   A CD1  1 
ATOM   315  C CD2  . PHE   A 1 39  ? 26.74045 -9.72636  3.87418   1.000 21.20687 ? 325 PHE   A CD2  1 
ATOM   316  C CE1  . PHE   A 1 39  ? 25.78629 -7.22122  4.53419   1.000 20.70943 ? 325 PHE   A CE1  1 
ATOM   317  C CE2  . PHE   A 1 39  ? 26.07809 -8.95890  2.92450   1.000 20.01294 ? 325 PHE   A CE2  1 
ATOM   318  C CZ   . PHE   A 1 39  ? 25.59962 -7.71181  3.25780   1.000 20.82404 ? 325 PHE   A CZ   1 
ATOM   319  N N    . ASP   A 1 40  ? 30.09288 -9.62857  8.71417   1.000 21.68906 ? 326 ASP   A N    1 
ATOM   320  C CA   . ASP   A 1 40  ? 30.79703 -10.21041 9.85374   1.000 21.57101 ? 326 ASP   A CA   1 
ATOM   321  C C    . ASP   A 1 40  ? 29.91469 -10.43754 11.07852  1.000 23.66695 ? 326 ASP   A C    1 
ATOM   322  O O    . ASP   A 1 40  ? 30.34990 -11.11790 12.01945  1.000 24.46048 ? 326 ASP   A O    1 
ATOM   323  C CB   . ASP   A 1 40  ? 31.99904 -9.32393  10.22903  1.000 24.08161 ? 326 ASP   A CB   1 
ATOM   324  C CG   . ASP   A 1 40  ? 31.63574 -8.16359  11.16602  1.000 26.78552 ? 326 ASP   A CG   1 
ATOM   325  O OD1  . ASP   A 1 40  ? 30.48260 -7.70618  11.22129  1.000 26.48053 ? 326 ASP   A OD1  1 
ATOM   326  O OD2  . ASP   A 1 40  ? 32.55748 -7.65051  11.82137  1.000 27.27699 ? 326 ASP   A OD2  1 
ATOM   327  N N    . SER   A 1 41  ? 28.69491 -9.90604  11.10566  1.000 22.43953 ? 327 SER   A N    1 
ATOM   328  C CA   . SER   A 1 41  ? 27.86881 -9.99911  12.30289  1.000 23.59126 ? 327 SER   A CA   1 
ATOM   329  C C    . SER   A 1 41  ? 26.52386 -10.67166 12.09795  1.000 22.82705 ? 327 SER   A C    1 
ATOM   330  O O    . SER   A 1 41  ? 25.77101 -10.80970 13.06604  1.000 23.30880 ? 327 SER   A O    1 
ATOM   331  C CB   . SER   A 1 41  ? 27.65946 -8.62139  12.94139  1.000 23.78406 ? 327 SER   A CB   1 
ATOM   332  O OG   . SER   A 1 41  ? 28.88646 -8.12103  13.43652  1.000 24.84347 ? 327 SER   A OG   1 
ATOM   333  N N    . TYR   A 1 42  ? 26.18938 -11.07751 10.87735  1.000 22.50001 ? 328 TYR   A N    1 
ATOM   334  C CA   . TYR   A 1 42  ? 24.91149 -11.70775 10.59843  1.000 22.16634 ? 328 TYR   A CA   1 
ATOM   335  C C    . TYR   A 1 42  ? 25.15060 -12.78188 9.55501   1.000 20.22312 ? 328 TYR   A C    1 
ATOM   336  O O    . TYR   A 1 42  ? 26.07592 -12.65929 8.74938   1.000 20.62909 ? 328 TYR   A O    1 
ATOM   337  C CB   . TYR   A 1 42  ? 23.92331 -10.70793 9.98652   1.000 22.28732 ? 328 TYR   A CB   1 
ATOM   338  C CG   . TYR   A 1 42  ? 23.57342 -9.53200  10.85414  1.000 20.67139 ? 328 TYR   A CG   1 
ATOM   339  C CD1  . TYR   A 1 42  ? 22.70281 -9.67234  11.92528  1.000 23.28144 ? 328 TYR   A CD1  1 
ATOM   340  C CD2  . TYR   A 1 42  ? 24.07564 -8.26826  10.56854  1.000 21.18432 ? 328 TYR   A CD2  1 
ATOM   341  C CE1  . TYR   A 1 42  ? 22.35762 -8.58290  12.70628  1.000 22.52044 ? 328 TYR   A CE1  1 
ATOM   342  C CE2  . TYR   A 1 42  ? 23.73332 -7.17680  11.34125  1.000 21.32320 ? 328 TYR   A CE2  1 
ATOM   343  C CZ   . TYR   A 1 42  ? 22.87766 -7.34387  12.40541  1.000 22.13825 ? 328 TYR   A CZ   1 
ATOM   344  O OH   . TYR   A 1 42  ? 22.54775 -6.26187  13.18029  1.000 22.34757 ? 328 TYR   A OH   1 
ATOM   345  N N    . PRO   A 1 43  ? 24.32366 -13.84134 9.54008   1.000 21.44704 ? 329 PRO   A N    1 
ATOM   346  C CA   . PRO   A 1 43  ? 24.43212 -14.88308 8.48430   1.000 20.41206 ? 329 PRO   A CA   1 
ATOM   347  C C    . PRO   A 1 43  ? 23.78838 -14.43639 7.17373   1.000 19.35801 ? 329 PRO   A C    1 
ATOM   348  O O    . PRO   A 1 43  ? 22.66681 -14.83018 6.80373   1.000 20.01618 ? 329 PRO   A O    1 
ATOM   349  C CB   . PRO   A 1 43  ? 23.71018 -16.08053 9.11108   1.000 22.15235 ? 329 PRO   A CB   1 
ATOM   350  C CG   . PRO   A 1 43  ? 23.39195 -15.69137 10.53970  1.000 27.15093 ? 329 PRO   A CG   1 
ATOM   351  C CD   . PRO   A 1 43  ? 23.30783 -14.19892 10.54097  1.000 23.35058 ? 329 PRO   A CD   1 
ATOM   352  N N    . MET   A 1 44  ? 24.54863 -13.60811 6.45336   1.000 18.82073 ? 330 MET   A N    1 
ATOM   353  C CA   . MET   A 1 44  ? 24.08898 -12.91878 5.25181   1.000 17.67203 ? 330 MET   A CA   1 
ATOM   354  C C    . MET   A 1 44  ? 25.07289 -13.18749 4.11852   1.000 17.75018 ? 330 MET   A C    1 
ATOM   355  O O    . MET   A 1 44  ? 26.27677 -13.37410 4.34713   1.000 18.79527 ? 330 MET   A O    1 
ATOM   356  C CB   . MET   A 1 44  ? 24.05344 -11.43891 5.57870   1.000 19.76370 ? 330 MET   A CB   1 
ATOM   357  C CG   . MET   A 1 44  ? 22.83221 -11.01115 6.36177   1.000 18.50155 ? 330 MET   A CG   1 
ATOM   358  S SD   . MET   A 1 44  ? 23.03217 -9.26818  6.81027   1.000 18.67760 ? 330 MET   A SD   1 
ATOM   359  C CE   . MET   A 1 44  ? 21.63766 -9.04668  7.91127   1.000 20.82258 ? 330 MET   A CE   1 
ATOM   360  N N    . VAL   A 1 45  ? 24.55460 -13.20748 2.88665   1.000 17.27444 ? 331 VAL   A N    1 
ATOM   361  C CA   . VAL   A 1 45  ? 25.38374 -13.39885 1.70360   1.000 17.41710 ? 331 VAL   A CA   1 
ATOM   362  C C    . VAL   A 1 45  ? 24.69357 -12.69073 0.54425   1.000 15.88824 ? 331 VAL   A C    1 
ATOM   363  O O    . VAL   A 1 45  ? 23.46155 -12.56087 0.52403   1.000 17.20671 ? 331 VAL   A O    1 
ATOM   364  C CB   . VAL   A 1 45  ? 25.60303 -14.90854 1.42718   1.000 16.56712 ? 331 VAL   A CB   1 
ATOM   365  C CG1  . VAL   A 1 45  ? 24.26866 -15.62109 1.16409   1.000 18.84762 ? 331 VAL   A CG1  1 
ATOM   366  C CG2  . VAL   A 1 45  ? 26.57151 -15.09508 0.26771   1.000 19.37097 ? 331 VAL   A CG2  1 
ATOM   367  N N    . LEU   A 1 46  ? 25.49136 -12.20141 -0.40493  1.000 17.72996 ? 332 LEU   A N    1 
ATOM   368  C CA   . LEU   A 1 46  ? 24.97809 -11.55045 -1.60545  1.000 17.89688 ? 332 LEU   A CA   1 
ATOM   369  C C    . LEU   A 1 46  ? 25.13813 -12.46337 -2.80947  1.000 18.26868 ? 332 LEU   A C    1 
ATOM   370  O O    . LEU   A 1 46  ? 26.01832 -13.32491 -2.85094  1.000 20.73686 ? 332 LEU   A O    1 
ATOM   371  C CB   . LEU   A 1 46  ? 25.72865 -10.25195 -1.93452  1.000 19.09916 ? 332 LEU   A CB   1 
ATOM   372  C CG   . LEU   A 1 46  ? 25.73821 -9.17936  -0.85240  1.000 17.92075 ? 332 LEU   A CG   1 
ATOM   373  C CD1  . LEU   A 1 46  ? 26.39006 -7.89548  -1.36477  1.000 19.74244 ? 332 LEU   A CD1  1 
ATOM   374  C CD2  . LEU   A 1 46  ? 24.33652 -8.92345  -0.34746  1.000 18.57927 ? 332 LEU   A CD2  1 
ATOM   375  N N    . GLY   A 1 47  ? 24.28452 -12.25619 -3.80446  1.000 19.24077 ? 333 GLY   A N    1 
ATOM   376  C CA   . GLY   A 1 47  ? 24.57807 -12.78440 -5.11875  1.000 20.22258 ? 333 GLY   A CA   1 
ATOM   377  C C    . GLY   A 1 47  ? 25.72619 -12.02693 -5.75668  1.000 22.28250 ? 333 GLY   A C    1 
ATOM   378  O O    . GLY   A 1 47  ? 25.94208 -10.84429 -5.49246  1.000 23.16607 ? 333 GLY   A O    1 
ATOM   379  N N    . ALA   A 1 48  ? 26.48695 -12.73317 -6.59593  1.000 22.67445 ? 334 ALA   A N    1 
ATOM   380  C CA   . ALA   A 1 48  ? 27.65652 -12.12573 -7.22520  1.000 23.27209 ? 334 ALA   A CA   1 
ATOM   381  C C    . ALA   A 1 48  ? 27.26730 -11.04457 -8.21945  1.000 25.46158 ? 334 ALA   A C    1 
ATOM   382  O O    . ALA   A 1 48  ? 28.05046 -10.11827 -8.46226  1.000 27.40549 ? 334 ALA   A O    1 
ATOM   383  C CB   . ALA   A 1 48  ? 28.49159 -13.19466 -7.92978  1.000 24.11638 ? 334 ALA   A CB   1 
ATOM   384  N N    . GLN   A 1 49  ? 26.07355 -11.14311 -8.79608  1.000 25.37064 ? 335 GLN   A N    1 
ATOM   385  C CA   . GLN   A 1 49  ? 25.64800 -10.22673 -9.84300  1.000 25.40757 ? 335 GLN   A CA   1 
ATOM   386  C C    . GLN   A 1 49  ? 25.36092 -8.82735  -9.29755  1.000 26.54869 ? 335 GLN   A C    1 
ATOM   387  O O    . GLN   A 1 49  ? 24.90451 -8.65872  -8.16232  1.000 25.30458 ? 335 GLN   A O    1 
ATOM   388  C CB   . GLN   A 1 49  ? 24.41735 -10.79300 -10.55606 1.000 28.22661 ? 335 GLN   A CB   1 
ATOM   389  C CG   . GLN   A 1 49  ? 24.66209 -12.11468 -11.31300 1.000 30.01971 ? 335 GLN   A CG   1 
ATOM   390  C CD   . GLN   A 1 49  ? 25.08334 -13.29101 -10.43184 1.000 29.66373 ? 335 GLN   A CD   1 
ATOM   391  O OE1  . GLN   A 1 49  ? 24.51849 -13.53069 -9.36303  1.000 28.42612 ? 335 GLN   A OE1  1 
ATOM   392  N NE2  . GLN   A 1 49  ? 26.06679 -14.04726 -10.90199 1.000 31.18143 ? 335 GLN   A NE2  1 
ATOM   393  N N    . HIS   A 1 50  ? 25.66053 -7.81613  -10.12170 1.000 27.44941 ? 336 HIS   A N    1 
ATOM   394  C CA   . HIS   A 1 50  ? 25.35514 -6.41071  -9.85356  1.000 27.29298 ? 336 HIS   A CA   1 
ATOM   395  C C    . HIS   A 1 50  ? 24.41346 -5.92286  -10.94257 1.000 28.58671 ? 336 HIS   A C    1 
ATOM   396  O O    . HIS   A 1 50  ? 24.73072 -6.04182  -12.13083 1.000 32.41934 ? 336 HIS   A O    1 
ATOM   397  C CB   . HIS   A 1 50  ? 26.60470 -5.51542  -9.93576  1.000 28.99124 ? 336 HIS   A CB   1 
ATOM   398  C CG   . HIS   A 1 50  ? 27.72800 -5.92069  -9.03302  1.000 28.96681 ? 336 HIS   A CG   1 
ATOM   399  N ND1  . HIS   A 1 50  ? 28.23383 -7.20179  -8.99504  1.000 30.88503 ? 336 HIS   A ND1  1 
ATOM   400  C CD2  . HIS   A 1 50  ? 28.45826 -5.20153  -8.14606  1.000 29.59586 ? 336 HIS   A CD2  1 
ATOM   401  C CE1  . HIS   A 1 50  ? 29.21882 -7.25874  -8.11608  1.000 29.81173 ? 336 HIS   A CE1  1 
ATOM   402  N NE2  . HIS   A 1 50  ? 29.37450 -6.05783  -7.58627  1.000 29.41887 ? 336 HIS   A NE2  1 
ATOM   403  N N    . PHE   A 1 51  ? 23.27814 -5.35703  -10.55431 1.000 28.31091 ? 337 PHE   A N    1 
ATOM   404  C CA   . PHE   A 1 51  ? 22.29139 -4.87594  -11.51527 1.000 29.48260 ? 337 PHE   A CA   1 
ATOM   405  C C    . PHE   A 1 51  ? 22.30966 -3.35672  -11.57183 1.000 30.93467 ? 337 PHE   A C    1 
ATOM   406  O O    . PHE   A 1 51  ? 22.21004 -2.69245  -10.53709 1.000 29.40992 ? 337 PHE   A O    1 
ATOM   407  C CB   . PHE   A 1 51  ? 20.88321 -5.36238  -11.16676 1.000 29.88190 ? 337 PHE   A CB   1 
ATOM   408  C CG   . PHE   A 1 51  ? 20.76913 -6.85225  -11.06368 1.000 28.76656 ? 337 PHE   A CG   1 
ATOM   409  C CD1  . PHE   A 1 51  ? 21.13248 -7.66221  -12.12792 1.000 29.62051 ? 337 PHE   A CD1  1 
ATOM   410  C CD2  . PHE   A 1 51  ? 20.29968 -7.44383  -9.90037  1.000 28.70222 ? 337 PHE   A CD2  1 
ATOM   411  C CE1  . PHE   A 1 51  ? 21.02765 -9.03885  -12.03718 1.000 30.46031 ? 337 PHE   A CE1  1 
ATOM   412  C CE2  . PHE   A 1 51  ? 20.19721 -8.82182  -9.80032  1.000 28.03017 ? 337 PHE   A CE2  1 
ATOM   413  C CZ   . PHE   A 1 51  ? 20.56386 -9.61761  -10.86803 1.000 28.51586 ? 337 PHE   A CZ   1 
ATOM   414  N N    . HIS   A 1 52  ? 22.42300 -2.81680  -12.78629 1.000 32.48449 ? 338 HIS   A N    1 
ATOM   415  C CA   . HIS   A 1 52  ? 22.36241 -1.38389  -13.03230 1.000 34.02813 ? 338 HIS   A CA   1 
ATOM   416  C C    . HIS   A 1 52  ? 21.11121 -0.97582  -13.79110 1.000 34.07466 ? 338 HIS   A C    1 
ATOM   417  O O    . HIS   A 1 52  ? 20.80123 0.22150   -13.85395 1.000 35.31549 ? 338 HIS   A O    1 
ATOM   418  C CB   . HIS   A 1 52  ? 23.60116 -0.93493  -13.82482 1.000 36.48517 ? 338 HIS   A CB   1 
ATOM   419  C CG   . HIS   A 1 52  ? 24.87427 -1.57606  -13.36315 1.000 36.88859 ? 338 HIS   A CG   1 
ATOM   420  N ND1  . HIS   A 1 52  ? 25.39104 -2.71641  -13.94250 1.000 39.49057 ? 338 HIS   A ND1  1 
ATOM   421  C CD2  . HIS   A 1 52  ? 25.72826 -1.24179  -12.36581 1.000 37.27441 ? 338 HIS   A CD2  1 
ATOM   422  C CE1  . HIS   A 1 52  ? 26.51070 -3.05332  -13.32496 1.000 37.46816 ? 338 HIS   A CE1  1 
ATOM   423  N NE2  . HIS   A 1 52  ? 26.73737 -2.17496  -12.36386 1.000 36.40818 ? 338 HIS   A NE2  1 
ATOM   424  N N    . SER   A 1 53  ? 20.38702 -1.93322  -14.35753 1.000 33.71262 ? 339 SER   A N    1 
ATOM   425  C CA   . SER   A 1 53  ? 19.17549 -1.66053  -15.12145 1.000 34.39349 ? 339 SER   A CA   1 
ATOM   426  C C    . SER   A 1 53  ? 18.50242 -2.99552  -15.40750 1.000 34.67475 ? 339 SER   A C    1 
ATOM   427  O O    . SER   A 1 53  ? 18.99886 -4.06032  -15.02442 1.000 34.07032 ? 339 SER   A O    1 
ATOM   428  C CB   . SER   A 1 53  ? 19.49521 -0.95808  -16.43882 1.000 36.29637 ? 339 SER   A CB   1 
ATOM   429  O OG   . SER   A 1 53  ? 20.23870 -1.81724  -17.28359 1.000 37.18323 ? 339 SER   A OG   1 
ATOM   430  N N    . GLY   A 1 54  ? 17.37183 -2.92689  -16.10159 1.000 33.67480 ? 340 GLY   A N    1 
ATOM   431  C CA   . GLY   A 1 54  ? 16.67967 -4.10771  -16.56182 1.000 31.19524 ? 340 GLY   A CA   1 
ATOM   432  C C    . GLY   A 1 54  ? 15.77439 -4.71947  -15.51003 1.000 30.40390 ? 340 GLY   A C    1 
ATOM   433  O O    . GLY   A 1 54  ? 15.75534 -4.33516  -14.33752 1.000 31.06717 ? 340 GLY   A O    1 
ATOM   434  N N    . LYS   A 1 55  ? 14.96816 -5.66543  -15.97905 1.000 30.45753 ? 341 LYS   A N    1 
ATOM   435  C CA   . LYS   A 1 55  ? 14.16838 -6.53626  -15.13294 1.000 29.05627 ? 341 LYS   A CA   1 
ATOM   436  C C    . LYS   A 1 55  ? 15.00239 -7.77872  -14.85435 1.000 28.87283 ? 341 LYS   A C    1 
ATOM   437  O O    . LYS   A 1 55  ? 15.76742 -8.22723  -15.71670 1.000 30.69323 ? 341 LYS   A O    1 
ATOM   438  C CB   . LYS   A 1 55  ? 12.89248 -6.95027  -15.87066 1.000 29.69791 ? 341 LYS   A CB   1 
ATOM   439  C CG   . LYS   A 1 55  ? 11.88992 -5.83590  -16.02501 1.000 30.94838 ? 341 LYS   A CG   1 
ATOM   440  C CD   . LYS   A 1 55  ? 10.82638 -6.22190  -17.03007 1.000 30.40353 ? 341 LYS   A CD   1 
ATOM   441  C CE   . LYS   A 1 55  ? 10.09479 -4.97905  -17.54400 1.000 35.79299 ? 341 LYS   A CE   1 
ATOM   442  N NZ   . LYS   A 1 55  ? 8.60492  -4.94691  -17.20938 1.000 36.84887 ? 341 LYS   A NZ   1 
ATOM   443  N N    . HIS   A 1 56  ? 14.89938 -8.30995  -13.63622 1.000 25.62283 ? 342 HIS   A N    1 
ATOM   444  C CA   . HIS   A 1 56  ? 15.65701 -9.49237  -13.27486 1.000 26.76772 ? 342 HIS   A CA   1 
ATOM   445  C C    . HIS   A 1 56  ? 14.83386 -10.27892 -12.28795 1.000 23.95856 ? 342 HIS   A C    1 
ATOM   446  O O    . HIS   A 1 56  ? 14.06016 -9.69927  -11.53062 1.000 25.89475 ? 342 HIS   A O    1 
ATOM   447  C CB   . HIS   A 1 56  ? 17.00865 -9.13211  -12.67157 1.000 26.91506 ? 342 HIS   A CB   1 
ATOM   448  C CG   . HIS   A 1 56  ? 17.81727 -8.23703  -13.53943 1.000 26.85218 ? 342 HIS   A CG   1 
ATOM   449  N ND1  . HIS   A 1 56  ? 18.69015 -8.74015  -14.47536 1.000 29.55301 ? 342 HIS   A ND1  1 
ATOM   450  C CD2  . HIS   A 1 56  ? 17.89915 -6.88934  -13.61794 1.000 29.20795 ? 342 HIS   A CD2  1 
ATOM   451  C CE1  . HIS   A 1 56  ? 19.25861 -7.73602  -15.11535 1.000 29.96009 ? 342 HIS   A CE1  1 
ATOM   452  N NE2  . HIS   A 1 56  ? 18.80297 -6.60359  -14.60884 1.000 31.16725 ? 342 HIS   A NE2  1 
ATOM   453  N N    . TYR   A 1 57  ? 14.99777 -11.59501 -12.31912 1.000 23.31256 ? 343 TYR   A N    1 
ATOM   454  C CA   . TYR   A 1 57  ? 14.16510 -12.50645 -11.55236 1.000 23.08389 ? 343 TYR   A CA   1 
ATOM   455  C C    . TYR   A 1 57  ? 14.97661 -13.70387 -11.09436 1.000 21.10267 ? 343 TYR   A C    1 
ATOM   456  O O    . TYR   A 1 57  ? 15.79496 -14.23350 -11.84822 1.000 20.21678 ? 343 TYR   A O    1 
ATOM   457  C CB   . TYR   A 1 57  ? 13.01372 -13.06053 -12.41216 1.000 26.77614 ? 343 TYR   A CB   1 
ATOM   458  C CG   . TYR   A 1 57  ? 12.22310 -14.11059 -11.67838 1.000 26.62263 ? 343 TYR   A CG   1 
ATOM   459  C CD1  . TYR   A 1 57  ? 11.30206 -13.75131 -10.71334 1.000 26.88658 ? 343 TYR   A CD1  1 
ATOM   460  C CD2  . TYR   A 1 57  ? 12.44374 -15.46850 -11.91196 1.000 27.33197 ? 343 TYR   A CD2  1 
ATOM   461  C CE1  . TYR   A 1 57  ? 10.59733 -14.70031 -10.01670 1.000 26.16888 ? 343 TYR   A CE1  1 
ATOM   462  C CE2  . TYR   A 1 57  ? 11.74006 -16.43985 -11.21335 1.000 25.22642 ? 343 TYR   A CE2  1 
ATOM   463  C CZ   . TYR   A 1 57  ? 10.81143 -16.04014 -10.26833 1.000 26.80354 ? 343 TYR   A CZ   1 
ATOM   464  O OH   . TYR   A 1 57  ? 10.08301 -16.96459 -9.54987  1.000 29.25667 ? 343 TYR   A OH   1 
ATOM   465  N N    . TRP   A 1 58  ? 14.71803 -14.15029 -9.86825  1.000 20.51509 ? 344 TRP   A N    1 
ATOM   466  C CA   . TRP   A 1 58  ? 15.25661 -15.41286 -9.37959  1.000 21.87744 ? 344 TRP   A CA   1 
ATOM   467  C C    . TRP   A 1 58  ? 14.27785 -15.98542 -8.36724  1.000 21.37691 ? 344 TRP   A C    1 
ATOM   468  O O    . TRP   A 1 58  ? 13.31215 -15.33234 -7.95884  1.000 20.95093 ? 344 TRP   A O    1 
ATOM   469  C CB   . TRP   A 1 58  ? 16.67928 -15.27535 -8.80997  1.000 20.48986 ? 344 TRP   A CB   1 
ATOM   470  C CG   . TRP   A 1 58  ? 16.79841 -14.24336 -7.70836  1.000 21.01619 ? 344 TRP   A CG   1 
ATOM   471  C CD1  . TRP   A 1 58  ? 16.77614 -14.46563 -6.35568  1.000 19.56876 ? 344 TRP   A CD1  1 
ATOM   472  C CD2  . TRP   A 1 58  ? 16.96616 -12.83012 -7.87990  1.000 18.28759 ? 344 TRP   A CD2  1 
ATOM   473  N NE1  . TRP   A 1 58  ? 16.91869 -13.27372 -5.67716  1.000 18.76268 ? 344 TRP   A NE1  1 
ATOM   474  C CE2  . TRP   A 1 58  ? 17.04954 -12.25680 -6.59070  1.000 17.87726 ? 344 TRP   A CE2  1 
ATOM   475  C CE3  . TRP   A 1 58  ? 17.08191 -11.99524 -8.99694  1.000 20.35505 ? 344 TRP   A CE3  1 
ATOM   476  C CZ2  . TRP   A 1 58  ? 17.20735 -10.88703 -6.39035  1.000 19.67479 ? 344 TRP   A CZ2  1 
ATOM   477  C CZ3  . TRP   A 1 58  ? 17.23147 -10.62923 -8.79564  1.000 21.09007 ? 344 TRP   A CZ3  1 
ATOM   478  C CH2  . TRP   A 1 58  ? 17.30212 -10.08962 -7.50228  1.000 19.63152 ? 344 TRP   A CH2  1 
ATOM   479  N N    . GLU   A 1 59  ? 14.54125 -17.22063 -7.96501  1.000 20.42363 ? 345 GLU   A N    1 
ATOM   480  C CA   . GLU   A 1 59  ? 13.59626 -18.02086 -7.20814  1.000 19.20006 ? 345 GLU   A CA   1 
ATOM   481  C C    . GLU   A 1 59  ? 14.35972 -18.84819 -6.19513  1.000 20.24284 ? 345 GLU   A C    1 
ATOM   482  O O    . GLU   A 1 59  ? 15.38852 -19.44550 -6.53173  1.000 19.37953 ? 345 GLU   A O    1 
ATOM   483  C CB   . GLU   A 1 59  ? 12.99227 -18.99514 -8.18893  1.000 22.64274 ? 345 GLU   A CB   1 
ATOM   484  C CG   . GLU   A 1 59  ? 11.80284 -19.73608 -7.75655  1.000 23.78983 ? 345 GLU   A CG   1 
ATOM   485  C CD   . GLU   A 1 59  ? 11.19822 -20.38259 -8.96169  1.000 25.56422 ? 345 GLU   A CD   1 
ATOM   486  O OE1  . GLU   A 1 59  ? 10.53588 -19.67128 -9.74863  1.000 28.23627 ? 345 GLU   A OE1  1 
ATOM   487  O OE2  . GLU   A 1 59  ? 11.52009 -21.56792 -9.19130  1.000 28.14682 ? 345 GLU   A OE2  1 
ATOM   488  N N    . VAL   A 1 60  ? 13.82879 -18.92812 -4.97402  1.000 18.41036 ? 346 VAL   A N    1 
ATOM   489  C CA   . VAL   A 1 60  ? 14.53609 -19.55464 -3.86312  1.000 16.38734 ? 346 VAL   A CA   1 
ATOM   490  C C    . VAL   A 1 60  ? 13.62576 -20.55068 -3.16190  1.000 16.51613 ? 346 VAL   A C    1 
ATOM   491  O O    . VAL   A 1 60  ? 12.51423 -20.20536 -2.75656  1.000 18.88392 ? 346 VAL   A O    1 
ATOM   492  C CB   . VAL   A 1 60  ? 15.06210 -18.50783 -2.86231  1.000 17.99629 ? 346 VAL   A CB   1 
ATOM   493  C CG1  . VAL   A 1 60  ? 15.89683 -19.18077 -1.77906  1.000 19.03865 ? 346 VAL   A CG1  1 
ATOM   494  C CG2  . VAL   A 1 60  ? 15.87764 -17.45413 -3.59395  1.000 19.12631 ? 346 VAL   A CG2  1 
ATOM   495  N N    . ASP   A 1 61  ? 14.12458 -21.76810 -2.96370  1.000 18.00163 ? 347 ASP   A N    1 
ATOM   496  C CA   . ASP   A 1 61  ? 13.41124 -22.75064 -2.16328  1.000 17.55240 ? 347 ASP   A CA   1 
ATOM   497  C C    . ASP   A 1 61  ? 13.73831 -22.52086 -0.69150  1.000 17.91388 ? 347 ASP   A C    1 
ATOM   498  O O    . ASP   A 1 61  ? 14.91130 -22.39410 -0.31884  1.000 18.77394 ? 347 ASP   A O    1 
ATOM   499  C CB   . ASP   A 1 61  ? 13.81801 -24.16325 -2.58603  1.000 18.43476 ? 347 ASP   A CB   1 
ATOM   500  C CG   . ASP   A 1 61  ? 12.94492 -25.22108 -1.94254  1.000 22.26652 ? 347 ASP   A CG   1 
ATOM   501  O OD1  . ASP   A 1 61  ? 13.11052 -25.47519 -0.73255  1.000 27.42080 ? 347 ASP   A OD1  1 
ATOM   502  O OD2  . ASP   A 1 61  ? 12.08423 -25.78337 -2.64300  1.000 28.53802 ? 347 ASP   A OD2  1 
ATOM   503  N N    . VAL   A 1 62  ? 12.69328 -22.47069 0.13856   1.000 17.22187 ? 348 VAL   A N    1 
ATOM   504  C CA   . VAL   A 1 62  ? 12.78677 -22.24118 1.57770   1.000 18.14438 ? 348 VAL   A CA   1 
ATOM   505  C C    . VAL   A 1 62  ? 12.15582 -23.38797 2.37427   1.000 19.39611 ? 348 VAL   A C    1 
ATOM   506  O O    . VAL   A 1 62  ? 11.87624 -23.23545 3.56644   1.000 19.96793 ? 348 VAL   A O    1 
ATOM   507  C CB   . VAL   A 1 62  ? 12.18593 -20.87508 1.97177   1.000 17.07079 ? 348 VAL   A CB   1 
ATOM   508  C CG1  . VAL   A 1 62  ? 12.95660 -19.73502 1.28837   1.000 18.03467 ? 348 VAL   A CG1  1 
ATOM   509  C CG2  . VAL   A 1 62  ? 10.68878 -20.80132 1.59488   1.000 18.75843 ? 348 VAL   A CG2  1 
ATOM   510  N N    . THR   A 1 63  ? 11.92541 -24.53784 1.73280   1.000 19.06385 ? 349 THR   A N    1 
ATOM   511  C CA   . THR   A 1 63  ? 11.17226 -25.61747 2.36658   1.000 19.95567 ? 349 THR   A CA   1 
ATOM   512  C C    . THR   A 1 63  ? 11.83218 -26.06469 3.66484   1.000 20.36231 ? 349 THR   A C    1 
ATOM   513  O O    . THR   A 1 63  ? 13.04821 -26.26084 3.72573   1.000 21.51624 ? 349 THR   A O    1 
ATOM   514  C CB   . THR   A 1 63  ? 11.04870 -26.79112 1.38912   1.000 19.72409 ? 349 THR   A CB   1 
ATOM   515  O OG1  . THR   A 1 63  ? 10.43955 -26.33166 0.17928   1.000 21.73682 ? 349 THR   A OG1  1 
ATOM   516  C CG2  . THR   A 1 63  ? 10.21043 -27.92340 1.96993   1.000 23.08148 ? 349 THR   A CG2  1 
ATOM   517  N N    . GLY   A 1 64  ? 11.01821 -26.22316 4.70610   1.000 21.91486 ? 350 GLY   A N    1 
ATOM   518  C CA   . GLY   A 1 64  ? 11.50498 -26.74507 5.96369   1.000 22.15538 ? 350 GLY   A CA   1 
ATOM   519  C C    . GLY   A 1 64  ? 12.25198 -25.76475 6.83451   1.000 22.64941 ? 350 GLY   A C    1 
ATOM   520  O O    . GLY   A 1 64  ? 12.81853 -26.17531 7.85484   1.000 26.79777 ? 350 GLY   A O    1 
ATOM   521  N N    . LYS   A 1 65  ? 12.29049 -24.49082 6.46703   1.000 21.68736 ? 351 LYS   A N    1 
ATOM   522  C CA   . LYS   A 1 65  ? 12.99943 -23.48027 7.24016   1.000 22.31953 ? 351 LYS   A CA   1 
ATOM   523  C C    . LYS   A 1 65  ? 12.04912 -22.69829 8.13067   1.000 22.06246 ? 351 LYS   A C    1 
ATOM   524  O O    . LYS   A 1 65  ? 10.95305 -22.31641 7.70907   1.000 22.35774 ? 351 LYS   A O    1 
ATOM   525  C CB   . LYS   A 1 65  ? 13.74375 -22.51206 6.32243   1.000 21.58835 ? 351 LYS   A CB   1 
ATOM   526  C CG   . LYS   A 1 65  ? 14.78959 -23.21088 5.49203   1.000 21.69709 ? 351 LYS   A CG   1 
ATOM   527  C CD   . LYS   A 1 65  ? 15.63996 -22.21727 4.72972   1.000 21.95522 ? 351 LYS   A CD   1 
ATOM   528  C CE   . LYS   A 1 65  ? 16.41003 -21.27045 5.64144   1.000 19.93425 ? 351 LYS   A CE   1 
ATOM   529  N NZ   . LYS   A 1 65  ? 17.23445 -21.96799 6.66518   1.000 21.76237 ? 351 LYS   A NZ   1 
ATOM   530  N N    . GLU   A 1 66  ? 12.49285 -22.45206 9.36191   1.000 22.83388 ? 352 GLU   A N    1 
ATOM   531  C CA   . GLU   A 1 66  ? 11.72768 -21.67039 10.31815  1.000 24.14563 ? 352 GLU   A CA   1 
ATOM   532  C C    . GLU   A 1 66  ? 12.00932 -20.17570 10.21645  1.000 23.19256 ? 352 GLU   A C    1 
ATOM   533  O O    . GLU   A 1 66  ? 11.26705 -19.38865 10.80252  1.000 23.60565 ? 352 GLU   A O    1 
ATOM   534  C CB   . GLU   A 1 66  ? 12.03533 -22.13477 11.74559  1.000 26.13687 ? 352 GLU   A CB   1 
ATOM   535  C CG   . GLU   A 1 66  ? 13.45686 -21.82260 12.18471  1.000 28.01561 ? 352 GLU   A CG   1 
ATOM   536  C CD   . GLU   A 1 66  ? 13.73765 -22.18353 13.63599  1.000 35.20077 ? 352 GLU   A CD   1 
ATOM   537  O OE1  . GLU   A 1 66  ? 12.83494 -22.72050 14.31166  1.000 36.89468 ? 352 GLU   A OE1  1 
ATOM   538  O OE2  . GLU   A 1 66  ? 14.85974 -21.88695 14.10736  1.000 37.40306 ? 352 GLU   A OE2  1 
ATOM   539  N N    . ALA   A 1 67  ? 13.05468 -19.76860 9.49655   1.000 21.15256 ? 353 ALA   A N    1 
ATOM   540  C CA   . ALA   A 1 67  ? 13.42193 -18.36134 9.39963   1.000 21.34284 ? 353 ALA   A CA   1 
ATOM   541  C C    . ALA   A 1 67  ? 14.31056 -18.15186 8.18049   1.000 20.24952 ? 353 ALA   A C    1 
ATOM   542  O O    . ALA   A 1 67  ? 15.10734 -19.02634 7.82550   1.000 20.23847 ? 353 ALA   A O    1 
ATOM   543  C CB   . ALA   A 1 67  ? 14.14916 -17.87911 10.66431  1.000 22.09141 ? 353 ALA   A CB   1 
ATOM   544  N N    . TRP   A 1 68  ? 14.15669 -16.99551 7.53913   1.000 18.49764 ? 354 TRP   A N    1 
ATOM   545  C CA   . TRP   A 1 68  ? 14.97216 -16.59659 6.39589   1.000 17.48981 ? 354 TRP   A CA   1 
ATOM   546  C C    . TRP   A 1 68  ? 14.63723 -15.15503 6.05625   1.000 16.22990 ? 354 TRP   A C    1 
ATOM   547  O O    . TRP   A 1 68  ? 13.60410 -14.62391 6.47315   1.000 17.58446 ? 354 TRP   A O    1 
ATOM   548  C CB   . TRP   A 1 68  ? 14.74116 -17.48200 5.15048   1.000 17.80276 ? 354 TRP   A CB   1 
ATOM   549  C CG   . TRP   A 1 68  ? 13.30155 -17.72736 4.77482   1.000 18.02493 ? 354 TRP   A CG   1 
ATOM   550  C CD1  . TRP   A 1 68  ? 12.58456 -18.84892 5.03270   1.000 19.01546 ? 354 TRP   A CD1  1 
ATOM   551  C CD2  . TRP   A 1 68  ? 12.41302 -16.83640 4.07416   1.000 16.67400 ? 354 TRP   A CD2  1 
ATOM   552  N NE1  . TRP   A 1 68  ? 11.30928 -18.72906 4.53960   1.000 19.03687 ? 354 TRP   A NE1  1 
ATOM   553  C CE2  . TRP   A 1 68  ? 11.17473 -17.49999 3.94986   1.000 18.81674 ? 354 TRP   A CE2  1 
ATOM   554  C CE3  . TRP   A 1 68  ? 12.54579 -15.54609 3.54047   1.000 17.42048 ? 354 TRP   A CE3  1 
ATOM   555  C CZ2  . TRP   A 1 68  ? 10.07364 -16.92494 3.31242   1.000 18.63684 ? 354 TRP   A CZ2  1 
ATOM   556  C CZ3  . TRP   A 1 68  ? 11.44363 -14.96738 2.91519   1.000 17.37466 ? 354 TRP   A CZ3  1 
ATOM   557  C CH2  . TRP   A 1 68  ? 10.22212 -15.65567 2.81365   1.000 16.51941 ? 354 TRP   A CH2  1 
ATOM   558  N N    . ASP   A 1 69  ? 15.53362 -14.52790 5.31019   1.000 16.89489 ? 355 ASP   A N    1 
ATOM   559  C CA   . ASP   A 1 69  ? 15.29153 -13.21005 4.73710   1.000 16.94549 ? 355 ASP   A CA   1 
ATOM   560  C C    . ASP   A 1 69  ? 15.74073 -13.20153 3.27956   1.000 16.51804 ? 355 ASP   A C    1 
ATOM   561  O O    . ASP   A 1 69  ? 16.80846 -13.74088 2.94893   1.000 17.79964 ? 355 ASP   A O    1 
ATOM   562  C CB   . ASP   A 1 69  ? 16.02113 -12.12260 5.54870   1.000 16.75935 ? 355 ASP   A CB   1 
ATOM   563  C CG   . ASP   A 1 69  ? 15.78296 -10.73196 4.98545   1.000 17.67038 ? 355 ASP   A CG   1 
ATOM   564  O OD1  . ASP   A 1 69  ? 16.32357 -10.42988 3.89804   1.000 18.98606 ? 355 ASP   A OD1  1 
ATOM   565  O OD2  . ASP   A 1 69  ? 15.01319 -9.96054  5.61987   1.000 18.86642 ? 355 ASP   A OD2  1 
ATOM   566  N N    . LEU   A 1 70  ? 14.90801 -12.64518 2.39917   1.000 16.69968 ? 356 LEU   A N    1 
ATOM   567  C CA   . LEU   A 1 70  ? 15.23258 -12.55838 0.97555   1.000 15.69561 ? 356 LEU   A CA   1 
ATOM   568  C C    . LEU   A 1 70  ? 14.92935 -11.17705 0.42134   1.000 17.14776 ? 356 LEU   A C    1 
ATOM   569  O O    . LEU   A 1 70  ? 13.91772 -10.57314 0.76729   1.000 16.79927 ? 356 LEU   A O    1 
ATOM   570  C CB   . LEU   A 1 70  ? 14.42890 -13.58416 0.14854   1.000 17.24275 ? 356 LEU   A CB   1 
ATOM   571  C CG   . LEU   A 1 70  ? 14.64596 -15.05423 0.50972   1.000 16.09794 ? 356 LEU   A CG   1 
ATOM   572  C CD1  . LEU   A 1 70  ? 13.60607 -15.93150 -0.18363  1.000 17.62651 ? 356 LEU   A CD1  1 
ATOM   573  C CD2  . LEU   A 1 70  ? 16.02794 -15.47745 0.07531   1.000 18.05369 ? 356 LEU   A CD2  1 
ATOM   574  N N    . GLY   A 1 71  ? 15.79800 -10.69311 -0.45396  1.000 16.45694 ? 357 GLY   A N    1 
ATOM   575  C CA   . GLY   A 1 71  ? 15.44379 -9.51787  -1.22623  1.000 17.44589 ? 357 GLY   A CA   1 
ATOM   576  C C    . GLY   A 1 71  ? 16.57486 -8.97360  -2.06365  1.000 16.76249 ? 357 GLY   A C    1 
ATOM   577  O O    . GLY   A 1 71  ? 17.32591 -9.73490  -2.67522  1.000 16.47222 ? 357 GLY   A O    1 
ATOM   578  N N    . VAL   A 1 72  ? 16.70123 -7.64990  -2.08884  1.000 17.48687 ? 358 VAL   A N    1 
ATOM   579  C CA   . VAL   A 1 72  ? 17.68860 -6.94728  -2.89602  1.000 17.70834 ? 358 VAL   A CA   1 
ATOM   580  C C    . VAL   A 1 72  ? 18.26465 -5.85687  -2.01271  1.000 18.50596 ? 358 VAL   A C    1 
ATOM   581  O O    . VAL   A 1 72  ? 17.57833 -5.35704  -1.12088  1.000 17.94680 ? 358 VAL   A O    1 
ATOM   582  C CB   . VAL   A 1 72  ? 16.99034 -6.32561  -4.11991  1.000 21.72036 ? 358 VAL   A CB   1 
ATOM   583  C CG1  . VAL   A 1 72  ? 17.90462 -5.36488  -4.85669  1.000 23.10304 ? 358 VAL   A CG1  1 
ATOM   584  C CG2  . VAL   A 1 72  ? 16.48966 -7.42080  -5.04441  1.000 20.84173 ? 358 VAL   A CG2  1 
ATOM   585  N N    . CYS   A 1 73  ? 19.52192 -5.48646  -2.25714  1.000 19.82693 ? 359 CYS   A N    1 
ATOM   586  C CA   . CYS   A 1 73  ? 20.14594 -4.43083  -1.46650  1.000 19.73975 ? 359 CYS   A CA   1 
ATOM   587  C C    . CYS   A 1 73  ? 21.08568 -3.61096  -2.33796  1.000 20.72802 ? 359 CYS   A C    1 
ATOM   588  O O    . CYS   A 1 73  ? 21.53000 -4.04982  -3.40122  1.000 22.42884 ? 359 CYS   A O    1 
ATOM   589  C CB   . CYS   A 1 73  ? 20.89265 -4.99224  -0.24317  1.000 20.98942 ? 359 CYS   A CB   1 
ATOM   590  S SG   . CYS   A 1 73  ? 22.39422 -5.92829  -0.60434  1.000 20.01569 ? 359 CYS   A SG   1 
ATOM   591  N N    . ARG   A 1 74  ? 21.39169 -2.40514  -1.87108  1.000 20.47442 ? 360 ARG   A N    1 
ATOM   592  C CA   . ARG   A 1 74  ? 22.40441 -1.60577  -2.54698  1.000 22.24465 ? 360 ARG   A CA   1 
ATOM   593  C C    . ARG   A 1 74  ? 23.77347 -2.26588  -2.43341  1.000 22.68504 ? 360 ARG   A C    1 
ATOM   594  O O    . ARG   A 1 74  ? 24.12695 -2.84940  -1.40254  1.000 21.78376 ? 360 ARG   A O    1 
ATOM   595  C CB   . ARG   A 1 74  ? 22.47952 -0.20361  -1.94180  1.000 22.23520 ? 360 ARG   A CB   1 
ATOM   596  C CG   . ARG   A 1 74  ? 21.18137 0.58944   -2.00139  1.000 24.91464 ? 360 ARG   A CG   1 
ATOM   597  C CD   . ARG   A 1 74  ? 21.39504 2.05914   -1.60960  1.000 27.40349 ? 360 ARG   A CD   1 
ATOM   598  N NE   . ARG   A 1 74  ? 20.14558 2.80880   -1.69376  1.000 28.53832 ? 360 ARG   A NE   1 
ATOM   599  C CZ   . ARG   A 1 74  ? 19.50344 3.33879   -0.66003  1.000 28.93144 ? 360 ARG   A CZ   1 
ATOM   600  N NH1  . ARG   A 1 74  ? 19.99598 3.28159   0.56800   1.000 30.95238 ? 360 ARG   A NH1  1 
ATOM   601  N NH2  . ARG   A 1 74  ? 18.33919 3.95023   -0.86485  1.000 32.36294 ? 360 ARG   A NH2  1 
ATOM   602  N N    . ASP   A 1 75  ? 24.56230 -2.15451  -3.50067  1.000 23.67575 ? 361 ASP   A N    1 
ATOM   603  C CA   . ASP   A 1 75  ? 25.94397 -2.61681  -3.43441  1.000 23.72273 ? 361 ASP   A CA   1 
ATOM   604  C C    . ASP   A 1 75  ? 26.70757 -1.94751  -2.29957  1.000 23.77417 ? 361 ASP   A C    1 
ATOM   605  O O    . ASP   A 1 75  ? 27.62641 -2.54553  -1.72930  1.000 25.46878 ? 361 ASP   A O    1 
ATOM   606  C CB   . ASP   A 1 75  ? 26.64704 -2.31633  -4.75394  1.000 24.85849 ? 361 ASP   A CB   1 
ATOM   607  C CG   . ASP   A 1 75  ? 28.07831 -2.81648  -4.77940  1.000 28.07049 ? 361 ASP   A CG   1 
ATOM   608  O OD1  . ASP   A 1 75  ? 28.29289 -4.04993  -4.76933  1.000 27.28923 ? 361 ASP   A OD1  1 
ATOM   609  O OD2  . ASP   A 1 75  ? 28.99416 -1.96142  -4.79327  1.000 31.01201 ? 361 ASP   A OD2  1 
ATOM   610  N N    . SER   A 1 76  ? 26.34947 -0.71570  -1.96650  1.000 24.22687 ? 362 SER   A N    1 
ATOM   611  C CA   . SER   A 1 76  ? 27.08183 0.07423   -0.98792  1.000 24.51684 ? 362 SER   A CA   1 
ATOM   612  C C    . SER   A 1 76  ? 26.71849 -0.24250  0.45898   1.000 25.04797 ? 362 SER   A C    1 
ATOM   613  O O    . SER   A 1 76  ? 27.27079 0.40020   1.36074   1.000 27.13582 ? 362 SER   A O    1 
ATOM   614  C CB   . SER   A 1 76  ? 26.85133 1.56503   -1.26161  1.000 26.80008 ? 362 SER   A CB   1 
ATOM   615  O OG   . SER   A 1 76  ? 25.48595 1.90421   -1.07876  1.000 26.74312 ? 362 SER   A OG   1 
ATOM   616  N N    . VAL   A 1 77  ? 25.82466 -1.20215  0.72375   1.000 23.01897 ? 363 VAL   A N    1 
ATOM   617  C CA   . VAL   A 1 77  ? 25.40320 -1.41248  2.10512   1.000 23.26625 ? 363 VAL   A CA   1 
ATOM   618  C C    . VAL   A 1 77  ? 26.62081 -1.77972  2.94870   1.000 22.01981 ? 363 VAL   A C    1 
ATOM   619  O O    . VAL   A 1 77  ? 27.55482 -2.44984  2.48261   1.000 22.53271 ? 363 VAL   A O    1 
ATOM   620  C CB   . VAL   A 1 77  ? 24.28990 -2.46637  2.26606   1.000 21.81274 ? 363 VAL   A CB   1 
ATOM   621  C CG1  . VAL   A 1 77  ? 23.01925 -2.05463  1.52223   1.000 22.86770 ? 363 VAL   A CG1  1 
ATOM   622  C CG2  . VAL   A 1 77  ? 24.76025 -3.83765  1.83044   1.000 22.06353 ? 363 VAL   A CG2  1 
ATOM   623  N N    . ARG   A 1 78  ? 26.61131 -1.33246  4.20491   1.000 24.86669 ? 364 ARG   A N    1 
ATOM   624  C CA   . ARG   A 1 78  ? 27.67987 -1.70442  5.12161   1.000 23.44026 ? 364 ARG   A CA   1 
ATOM   625  C C    . ARG   A 1 78  ? 27.68618 -3.20873  5.33548   1.000 23.21636 ? 364 ARG   A C    1 
ATOM   626  O O    . ARG   A 1 78  ? 26.63981 -3.86466  5.32492   1.000 22.47109 ? 364 ARG   A O    1 
ATOM   627  C CB   . ARG   A 1 78  ? 27.50759 -1.01047  6.47196   1.000 27.29798 ? 364 ARG   A CB   1 
ATOM   628  C CG   . ARG   A 1 78  ? 28.82929 -0.50340  7.05413   1.000 34.90561 ? 364 ARG   A CG   1 
ATOM   629  C CD   . ARG   A 1 78  ? 28.83750 -0.46684  8.57379   1.000 33.61319 ? 364 ARG   A CD   1 
ATOM   630  N NE   . ARG   A 1 78  ? 27.58610 0.06412   9.09886   1.000 35.84135 ? 364 ARG   A NE   1 
ATOM   631  C CZ   . ARG   A 1 78  ? 26.96692 -0.39675  10.17811  1.000 34.35881 ? 364 ARG   A CZ   1 
ATOM   632  N NH1  . ARG   A 1 78  ? 27.54251 -1.27394  10.98566  1.000 35.37890 ? 364 ARG   A NH1  1 
ATOM   633  N NH2  . ARG   A 1 78  ? 25.75056 0.05763   10.47168  1.000 37.28506 ? 364 ARG   A NH2  1 
ATOM   634  N N    . ARG   A 1 79  ? 28.88902 -3.74591  5.52419   1.000 21.27040 ? 365 ARG   A N    1 
ATOM   635  C CA   . ARG   A 1 79  ? 29.11458 -5.16860  5.72333   1.000 19.99030 ? 365 ARG   A CA   1 
ATOM   636  C C    . ARG   A 1 79  ? 29.51721 -5.51967  7.14509   1.000 21.49368 ? 365 ARG   A C    1 
ATOM   637  O O    . ARG   A 1 79  ? 29.16032 -6.59732  7.63090   1.000 20.25077 ? 365 ARG   A O    1 
ATOM   638  C CB   . ARG   A 1 79  ? 30.20688 -5.66416  4.76503   1.000 22.09150 ? 365 ARG   A CB   1 
ATOM   639  C CG   . ARG   A 1 79  ? 30.00039 -5.29280  3.28516   1.000 21.23918 ? 365 ARG   A CG   1 
ATOM   640  C CD   . ARG   A 1 79  ? 28.60532 -5.65607  2.75093   1.000 23.45808 ? 365 ARG   A CD   1 
ATOM   641  N NE   . ARG   A 1 79  ? 28.39063 -5.11961  1.40758   1.000 22.02656 ? 365 ARG   A NE   1 
ATOM   642  C CZ   . ARG   A 1 79  ? 28.86266 -5.66594  0.29356   1.000 20.71009 ? 365 ARG   A CZ   1 
ATOM   643  N NH1  . ARG   A 1 79  ? 29.53366 -6.80619  0.31250   1.000 22.14163 ? 365 ARG   A NH1  1 
ATOM   644  N NH2  . ARG   A 1 79  ? 28.67527 -5.04352  -0.86674  1.000 22.68000 ? 365 ARG   A NH2  1 
ATOM   645  N N    . LYS   A 1 80  ? 30.22169 -4.63567  7.84034   1.000 20.59980 ? 366 LYS   A N    1 
ATOM   646  C CA   . LYS   A 1 80  ? 30.72303 -4.95074  9.17009   1.000 21.75757 ? 366 LYS   A CA   1 
ATOM   647  C C    . LYS   A 1 80  ? 29.78600 -4.37598  10.22022  1.000 21.25119 ? 366 LYS   A C    1 
ATOM   648  O O    . LYS   A 1 80  ? 29.22530 -3.29342  10.03611  1.000 23.65414 ? 366 LYS   A O    1 
ATOM   649  C CB   . LYS   A 1 80  ? 32.12954 -4.37816  9.36270   1.000 21.51981 ? 366 LYS   A CB   1 
ATOM   650  C CG   . LYS   A 1 80  ? 33.11437 -4.76963  8.26225   1.000 24.32738 ? 366 LYS   A CG   1 
ATOM   651  C CD   . LYS   A 1 80  ? 33.16748 -6.27472  8.08519   1.000 24.44745 ? 366 LYS   A CD   1 
ATOM   652  C CE   . LYS   A 1 80  ? 34.40026 -6.68388  7.29571   1.000 28.67700 ? 366 LYS   A CE   1 
ATOM   653  N NZ   . LYS   A 1 80  ? 34.14037 -7.83602  6.39212   1.000 29.95287 ? 366 LYS   A NZ   1 
ATOM   654  N N    . GLY   A 1 81  ? 29.61064 -5.11092  11.31302  1.000 19.00199 ? 367 GLY   A N    1 
ATOM   655  C CA   . GLY   A 1 81  ? 28.87467 -4.59554  12.44625  1.000 21.48445 ? 367 GLY   A CA   1 
ATOM   656  C C    . GLY   A 1 81  ? 27.38534 -4.84629  12.32521  1.000 20.99042 ? 367 GLY   A C    1 
ATOM   657  O O    . GLY   A 1 81  ? 26.91342 -5.66918  11.53009  1.000 22.24577 ? 367 GLY   A O    1 
ATOM   658  N N    . HIS   A 1 82  ? 26.63553 -4.10840  13.13632  1.000 20.92475 ? 368 HIS   A N    1 
ATOM   659  C CA   . HIS   A 1 82  ? 25.19302 -4.27428  13.25808  1.000 21.86776 ? 368 HIS   A CA   1 
ATOM   660  C C    . HIS   A 1 82  ? 24.46664 -3.11901  12.58693  1.000 22.43527 ? 368 HIS   A C    1 
ATOM   661  O O    . HIS   A 1 82  ? 24.94416 -1.97887  12.56300  1.000 22.94142 ? 368 HIS   A O    1 
ATOM   662  C CB   . HIS   A 1 82  ? 24.75648 -4.33055  14.72255  1.000 24.46818 ? 368 HIS   A CB   1 
ATOM   663  C CG   . HIS   A 1 82  ? 25.51490 -5.32527  15.53402  1.000 24.29473 ? 368 HIS   A CG   1 
ATOM   664  N ND1  . HIS   A 1 82  ? 25.22856 -6.67341  15.51662  1.000 25.23378 ? 368 HIS   A ND1  1 
ATOM   665  C CD2  . HIS   A 1 82  ? 26.57647 -5.17213  16.35823  1.000 24.33231 ? 368 HIS   A CD2  1 
ATOM   666  C CE1  . HIS   A 1 82  ? 26.06689 -7.30661  16.31740  1.000 24.55203 ? 368 HIS   A CE1  1 
ATOM   667  N NE2  . HIS   A 1 82  ? 26.89329 -6.41821  16.84058  1.000 27.03778 ? 368 HIS   A NE2  1 
ATOM   668  N N    . PHE   A 1 83  ? 23.28248 -3.42740  12.07254  1.000 21.95817 ? 369 PHE   A N    1 
ATOM   669  C CA   . PHE   A 1 83  ? 22.47466 -2.47469  11.32374  1.000 21.78715 ? 369 PHE   A CA   1 
ATOM   670  C C    . PHE   A 1 83  ? 21.07659 -3.05795  11.19451  1.000 20.73915 ? 369 PHE   A C    1 
ATOM   671  O O    . PHE   A 1 83  ? 20.86892 -4.25196  11.41469  1.000 22.64161 ? 369 PHE   A O    1 
ATOM   672  C CB   . PHE   A 1 83  ? 23.09695 -2.19062  9.94613   1.000 19.77786 ? 369 PHE   A CB   1 
ATOM   673  C CG   . PHE   A 1 83  ? 23.48495 -3.43336  9.18265   1.000 21.46560 ? 369 PHE   A CG   1 
ATOM   674  C CD1  . PHE   A 1 83  ? 22.54997 -4.13451  8.42718   1.000 21.09515 ? 369 PHE   A CD1  1 
ATOM   675  C CD2  . PHE   A 1 83  ? 24.79225 -3.89857  9.22741   1.000 21.04525 ? 369 PHE   A CD2  1 
ATOM   676  C CE1  . PHE   A 1 83  ? 22.91634 -5.28858  7.73600   1.000 22.04371 ? 369 PHE   A CE1  1 
ATOM   677  C CE2  . PHE   A 1 83  ? 25.16471 -5.05500  8.53111   1.000 21.22910 ? 369 PHE   A CE2  1 
ATOM   678  C CZ   . PHE   A 1 83  ? 24.22441 -5.74193  7.78395   1.000 20.89972 ? 369 PHE   A CZ   1 
ATOM   679  N N    . LEU   A 1 84  ? 20.11955 -2.20170  10.84771  1.000 22.13740 ? 370 LEU   A N    1 
ATOM   680  C CA   . LEU   A 1 84  ? 18.75414 -2.63077  10.58492  1.000 23.21897 ? 370 LEU   A CA   1 
ATOM   681  C C    . LEU   A 1 84  ? 18.53768 -2.69847  9.07731   1.000 22.67955 ? 370 LEU   A C    1 
ATOM   682  O O    . LEU   A 1 84  ? 19.18467 -1.97617  8.31751   1.000 22.16100 ? 370 LEU   A O    1 
ATOM   683  C CB   . LEU   A 1 84  ? 17.74503 -1.67587  11.23154  1.000 24.68919 ? 370 LEU   A CB   1 
ATOM   684  C CG   . LEU   A 1 84  ? 17.82979 -1.62795  12.76279  1.000 25.70496 ? 370 LEU   A CG   1 
ATOM   685  C CD1  . LEU   A 1 84  ? 16.57771 -1.01826  13.37306  1.000 27.63600 ? 370 LEU   A CD1  1 
ATOM   686  C CD2  . LEU   A 1 84  ? 18.07267 -3.01872  13.32766  1.000 26.82998 ? 370 LEU   A CD2  1 
ATOM   687  N N    . LEU   A 1 85  ? 17.65541 -3.60782  8.64996   1.000 22.86268 ? 371 LEU   A N    1 
ATOM   688  C CA   . LEU   A 1 85  ? 17.39204 -3.84798  7.22252   1.000 21.91252 ? 371 LEU   A CA   1 
ATOM   689  C C    . LEU   A 1 85  ? 16.26330 -2.93786  6.73280   1.000 22.86026 ? 371 LEU   A C    1 
ATOM   690  O O    . LEU   A 1 85  ? 15.16454 -3.38045  6.40168   1.000 24.90520 ? 371 LEU   A O    1 
ATOM   691  C CB   . LEU   A 1 85  ? 17.01916 -5.30822  6.99397   1.000 20.98618 ? 371 LEU   A CB   1 
ATOM   692  C CG   . LEU   A 1 85  ? 18.04785 -6.40023  7.30266   1.000 21.85647 ? 371 LEU   A CG   1 
ATOM   693  C CD1  . LEU   A 1 85  ? 17.52061 -7.76420  6.85641   1.000 22.19495 ? 371 LEU   A CD1  1 
ATOM   694  C CD2  . LEU   A 1 85  ? 19.37887 -6.09230  6.63823   1.000 21.90204 ? 371 LEU   A CD2  1 
ATOM   695  N N    . SER   A 1 86  ? 16.55617 -1.64640  6.66712   1.000 24.01860 ? 372 SER   A N    1 
ATOM   696  C CA   . SER   A 1 86  ? 15.55580 -0.67645  6.25344   1.000 24.51505 ? 372 SER   A CA   1 
ATOM   697  C C    . SER   A 1 86  ? 15.83727 -0.22018  4.83195   1.000 23.70201 ? 372 SER   A C    1 
ATOM   698  O O    . SER   A 1 86  ? 16.96290 -0.31507  4.33447   1.000 22.82483 ? 372 SER   A O    1 
ATOM   699  C CB   . SER   A 1 86  ? 15.51433 0.53262   7.19696   1.000 26.96807 ? 372 SER   A CB   1 
ATOM   700  O OG   . SER   A 1 86  ? 16.72584 1.26226   7.13723   1.000 28.35912 ? 372 SER   A OG   1 
ATOM   701  N N    . SER   A 1 87  ? 14.78220 0.25366   4.16644   1.000 25.17874 ? 373 SER   A N    1 
ATOM   702  C CA   . SER   A 1 87  ? 14.98459 0.82184   2.84392   1.000 25.16127 ? 373 SER   A CA   1 
ATOM   703  C C    . SER   A 1 87  ? 15.92378 1.99915   2.90893   1.000 26.84191 ? 373 SER   A C    1 
ATOM   704  O O    . SER   A 1 87  ? 16.71880 2.21783   1.99014   1.000 27.82795 ? 373 SER   A O    1 
ATOM   705  C CB   . SER   A 1 87  ? 13.65785 1.22030   2.20666   1.000 27.06460 ? 373 SER   A CB   1 
ATOM   706  O OG   . SER   A 1 87  ? 12.79847 0.09983   2.15741   1.000 29.72674 ? 373 SER   A OG   1 
ATOM   707  N N    . LYS   A 1 88  ? 15.88675 2.75233   3.99597   1.000 29.89551 ? 374 LYS   A N    1 
ATOM   708  C CA   . LYS   A 1 88  ? 16.85601 3.82671   4.06233   1.000 31.37377 ? 374 LYS   A CA   1 
ATOM   709  C C    . LYS   A 1 88  ? 18.28942 3.31192   4.08719   1.000 30.58341 ? 374 LYS   A C    1 
ATOM   710  O O    . LYS   A 1 88  ? 19.17153 3.89463   3.44238   1.000 33.77196 ? 374 LYS   A O    1 
ATOM   711  C CB   . LYS   A 1 88  ? 16.62092 4.78206   5.21116   1.000 33.76430 ? 374 LYS   A CB   1 
ATOM   712  C CG   . LYS   A 1 88  ? 16.79380 6.12594   4.64229   1.000 37.52023 ? 374 LYS   A CG   1 
ATOM   713  C CD   . LYS   A 1 88  ? 17.07506 7.13502   5.69903   1.000 38.38496 ? 374 LYS   A CD   1 
ATOM   714  C CE   . LYS   A 1 88  ? 16.16020 8.23780   5.64952   1.000 37.97872 ? 374 LYS   A CE   1 
ATOM   715  N NZ   . LYS   A 1 88  ? 16.22026 8.98801   6.92837   1.000 39.07834 ? 374 LYS   A NZ   1 
ATOM   716  N N    . SER   A 1 89  ? 18.55176 2.23953   4.83718   1.000 27.66766 ? 375 SER   A N    1 
ATOM   717  C CA   . SER   A 1 89  ? 19.88818 1.65466   4.86167   1.000 27.42257 ? 375 SER   A CA   1 
ATOM   718  C C    . SER   A 1 89  ? 20.21863 0.84983   3.60954   1.000 26.44546 ? 375 SER   A C    1 
ATOM   719  O O    . SER   A 1 89  ? 21.30641 0.26942   3.54856   1.000 26.79693 ? 375 SER   A O    1 
ATOM   720  C CB   . SER   A 1 89  ? 20.11325 0.83377   6.13889   1.000 29.08874 ? 375 SER   A CB   1 
ATOM   721  O OG   . SER   A 1 89  ? 19.10506 -0.14148  6.33263   1.000 29.59503 ? 375 SER   A OG   1 
ATOM   722  N N    . GLY   A 1 90  ? 19.32905 0.81919   2.62077   1.000 26.90072 ? 376 GLY   A N    1 
ATOM   723  C CA   . GLY   A 1 90  ? 19.59261 0.17734   1.35113   1.000 24.28261 ? 376 GLY   A CA   1 
ATOM   724  C C    . GLY   A 1 90  ? 19.08604 -1.24104  1.18634   1.000 21.49648 ? 376 GLY   A C    1 
ATOM   725  O O    . GLY   A 1 90  ? 19.65522 -1.98431  0.37860   1.000 21.83350 ? 376 GLY   A O    1 
ATOM   726  N N    . PHE   A 1 91  ? 18.05159 -1.64238  1.92144   1.000 20.50285 ? 377 PHE   A N    1 
ATOM   727  C CA   . PHE   A 1 91  ? 17.53660 -3.00375  1.85647   1.000 20.41724 ? 377 PHE   A CA   1 
ATOM   728  C C    . PHE   A 1 91  ? 16.05991 -3.00361  1.48730   1.000 20.36424 ? 377 PHE   A C    1 
ATOM   729  O O    . PHE   A 1 91  ? 15.26496 -2.23383  2.03473   1.000 20.60743 ? 377 PHE   A O    1 
ATOM   730  C CB   . PHE   A 1 91  ? 17.72073 -3.73764  3.19970   1.000 19.21267 ? 377 PHE   A CB   1 
ATOM   731  C CG   . PHE   A 1 91  ? 19.15272 -3.94798  3.59132   1.000 19.53306 ? 377 PHE   A CG   1 
ATOM   732  C CD1  . PHE   A 1 91  ? 19.83401 -5.07954  3.17487   1.000 19.52534 ? 377 PHE   A CD1  1 
ATOM   733  C CD2  . PHE   A 1 91  ? 19.81460 -3.02352  4.39521   1.000 21.25177 ? 377 PHE   A CD2  1 
ATOM   734  C CE1  . PHE   A 1 91  ? 21.15073 -5.29292  3.53881   1.000 18.24991 ? 377 PHE   A CE1  1 
ATOM   735  C CE2  . PHE   A 1 91  ? 21.13586 -3.23432  4.76198   1.000 20.16024 ? 377 PHE   A CE2  1 
ATOM   736  C CZ   . PHE   A 1 91  ? 21.80197 -4.37200  4.33171   1.000 20.26694 ? 377 PHE   A CZ   1 
ATOM   737  N N    . TRP   A 1 92  ? 15.69106 -3.90393  0.57637   1.000 18.33423 ? 378 TRP   A N    1 
ATOM   738  C CA   . TRP   A 1 92  ? 14.29480 -4.15329  0.21853   1.000 20.21962 ? 378 TRP   A CA   1 
ATOM   739  C C    . TRP   A 1 92  ? 14.07528 -5.65351  0.37307   1.000 17.49579 ? 378 TRP   A C    1 
ATOM   740  O O    . TRP   A 1 92  ? 14.45712 -6.43469  -0.50730  1.000 18.11387 ? 378 TRP   A O    1 
ATOM   741  C CB   . TRP   A 1 92  ? 14.00022 -3.67564  -1.20171  1.000 19.69157 ? 378 TRP   A CB   1 
ATOM   742  C CG   . TRP   A 1 92  ? 14.22270 -2.19605  -1.34808  1.000 20.62778 ? 378 TRP   A CG   1 
ATOM   743  C CD1  . TRP   A 1 92  ? 13.31719 -1.21206  -1.10017  1.000 22.32700 ? 378 TRP   A CD1  1 
ATOM   744  C CD2  . TRP   A 1 92  ? 15.44776 -1.54065  -1.71135  1.000 21.63242 ? 378 TRP   A CD2  1 
ATOM   745  N NE1  . TRP   A 1 92  ? 13.89261 0.02601   -1.31971  1.000 23.50718 ? 378 TRP   A NE1  1 
ATOM   746  C CE2  . TRP   A 1 92  ? 15.19603 -0.15025  -1.69953  1.000 21.86858 ? 378 TRP   A CE2  1 
ATOM   747  C CE3  . TRP   A 1 92  ? 16.71945 -1.99382  -2.07951  1.000 21.67843 ? 378 TRP   A CE3  1 
ATOM   748  C CZ2  . TRP   A 1 92  ? 16.18036 0.79048   -2.01890  1.000 24.15322 ? 378 TRP   A CZ2  1 
ATOM   749  C CZ3  . TRP   A 1 92  ? 17.69725 -1.05971  -2.40102  1.000 22.46866 ? 378 TRP   A CZ3  1 
ATOM   750  C CH2  . TRP   A 1 92  ? 17.41937 0.31899   -2.37000  1.000 23.82700 ? 378 TRP   A CH2  1 
ATOM   751  N N    . THR   A 1 93  ? 13.50493 -6.06328  1.50584   1.000 17.90386 ? 379 THR   A N    1 
ATOM   752  C CA   . THR   A 1 93  ? 13.45876 -7.48301  1.84370   1.000 17.37968 ? 379 THR   A CA   1 
ATOM   753  C C    . THR   A 1 93  ? 12.14223 -7.84195  2.51012   1.000 17.22381 ? 379 THR   A C    1 
ATOM   754  O O    . THR   A 1 93  ? 11.43075 -6.98800  3.05200   1.000 17.52948 ? 379 THR   A O    1 
ATOM   755  C CB   . THR   A 1 93  ? 14.62563 -7.97768  2.73892   1.000 17.59795 ? 379 THR   A CB   1 
ATOM   756  O OG1  . THR   A 1 93  ? 14.30389 -7.79339  4.12806   1.000 18.80474 ? 379 THR   A OG1  1 
ATOM   757  C CG2  . THR   A 1 93  ? 15.94722 -7.29221  2.42156   1.000 18.55621 ? 379 THR   A CG2  1 
ATOM   758  N N    . ILE   A 1 94  ? 11.82923 -9.13556  2.44934   1.000 15.83251 ? 380 ILE   A N    1 
ATOM   759  C CA   . ILE   A 1 94  ? 10.80832 -9.77671  3.26751   1.000 17.45320 ? 380 ILE   A CA   1 
ATOM   760  C C    . ILE   A 1 94  ? 11.47586 -10.89673 4.06058   1.000 17.54882 ? 380 ILE   A C    1 
ATOM   761  O O    . ILE   A 1 94  ? 12.57055 -11.35451 3.72359   1.000 17.91885 ? 380 ILE   A O    1 
ATOM   762  C CB   . ILE   A 1 94  ? 9.58692  -10.27635 2.45254   1.000 17.79150 ? 380 ILE   A CB   1 
ATOM   763  C CG1  . ILE   A 1 94  ? 9.94950  -11.47197 1.56584   1.000 18.32753 ? 380 ILE   A CG1  1 
ATOM   764  C CG2  . ILE   A 1 94  ? 8.95639  -9.14549  1.62644   1.000 18.64741 ? 380 ILE   A CG2  1 
ATOM   765  C CD1  . ILE   A 1 94  ? 8.71476  -12.20035 1.01510   1.000 20.16672 ? 380 ILE   A CD1  1 
ATOM   766  N N    . TRP   A 1 95  ? 10.82617 -11.31943 5.14609   1.000 17.93298 ? 381 TRP   A N    1 
ATOM   767  C CA   . TRP   A 1 95  ? 11.39882 -12.37658 5.97251   1.000 18.06562 ? 381 TRP   A CA   1 
ATOM   768  C C    . TRP   A 1 95  ? 10.31855 -13.20411 6.65658   1.000 19.07676 ? 381 TRP   A C    1 
ATOM   769  O O    . TRP   A 1 95  ? 9.15500  -12.80148 6.75690   1.000 18.51815 ? 381 TRP   A O    1 
ATOM   770  C CB   . TRP   A 1 95  ? 12.41284 -11.83220 6.99801   1.000 19.87529 ? 381 TRP   A CB   1 
ATOM   771  C CG   . TRP   A 1 95  ? 11.86409 -10.90965 8.07950   1.000 19.14062 ? 381 TRP   A CG   1 
ATOM   772  C CD1  . TRP   A 1 95  ? 11.32085 -11.28132 9.28165   1.000 19.55342 ? 381 TRP   A CD1  1 
ATOM   773  C CD2  . TRP   A 1 95  ? 11.84547 -9.47456  8.05530   1.000 18.59321 ? 381 TRP   A CD2  1 
ATOM   774  N NE1  . TRP   A 1 95  ? 10.96112 -10.15855 10.00716  1.000 20.05440 ? 381 TRP   A NE1  1 
ATOM   775  C CE2  . TRP   A 1 95  ? 11.27530 -9.03994  9.27894   1.000 19.68811 ? 381 TRP   A CE2  1 
ATOM   776  C CE3  . TRP   A 1 95  ? 12.25725 -8.51196  7.12394   1.000 19.60611 ? 381 TRP   A CE3  1 
ATOM   777  C CZ2  . TRP   A 1 95  ? 11.10720 -7.68041  9.58444   1.000 21.61996 ? 381 TRP   A CZ2  1 
ATOM   778  C CZ3  . TRP   A 1 95  ? 12.08533 -7.15518  7.43434   1.000 19.52974 ? 381 TRP   A CZ3  1 
ATOM   779  C CH2  . TRP   A 1 95  ? 11.52285 -6.76186  8.65202   1.000 20.69743 ? 381 TRP   A CH2  1 
ATOM   780  N N    . LEU   A 1 96  ? 10.74489 -14.38015 7.12518   1.000 17.82397 ? 382 LEU   A N    1 
ATOM   781  C CA   . LEU   A 1 96  ? 9.98864  -15.26641 8.00281   1.000 17.29402 ? 382 LEU   A CA   1 
ATOM   782  C C    . LEU   A 1 96  ? 10.77729 -15.38758 9.30035   1.000 20.87842 ? 382 LEU   A C    1 
ATOM   783  O O    . LEU   A 1 96  ? 11.99447 -15.59663 9.26611   1.000 20.27990 ? 382 LEU   A O    1 
ATOM   784  C CB   . LEU   A 1 96  ? 9.85278  -16.65135 7.34526   1.000 18.81594 ? 382 LEU   A CB   1 
ATOM   785  C CG   . LEU   A 1 96  ? 9.33715  -17.74926 8.28097   1.000 19.41925 ? 382 LEU   A CG   1 
ATOM   786  C CD1  . LEU   A 1 96  ? 7.90628  -17.46551 8.69349   1.000 23.65648 ? 382 LEU   A CD1  1 
ATOM   787  C CD2  . LEU   A 1 96  ? 9.44330  -19.12367 7.60493   1.000 20.29506 ? 382 LEU   A CD2  1 
ATOM   788  N N    . TRP   A 1 97  ? 10.11457 -15.24825 10.45493  1.000 22.05095 ? 383 TRP   A N    1 
ATOM   789  C CA   . TRP   A 1 97  ? 10.93232 -15.48943 11.64339  1.000 25.19667 ? 383 TRP   A CA   1 
ATOM   790  C C    . TRP   A 1 97  ? 10.33182 -16.29538 12.78151  1.000 31.49180 ? 383 TRP   A C    1 
ATOM   791  O O    . TRP   A 1 97  ? 10.76674 -17.42010 13.04643  1.000 35.37482 ? 383 TRP   A O    1 
ATOM   792  C CB   . TRP   A 1 97  ? 11.68613 -14.24289 12.14335  1.000 27.39968 ? 383 TRP   A CB   1 
ATOM   793  C CG   . TRP   A 1 97  ? 10.89489 -13.02071 12.48214  1.000 28.31757 ? 383 TRP   A CG   1 
ATOM   794  C CD1  . TRP   A 1 97  ? 9.54086  -12.84315 12.39955  1.000 29.06648 ? 383 TRP   A CD1  1 
ATOM   795  C CD2  . TRP   A 1 97  ? 11.44013 -11.77107 12.92213  1.000 28.44000 ? 383 TRP   A CD2  1 
ATOM   796  N NE1  . TRP   A 1 97  ? 9.20941  -11.55532 12.78786  1.000 29.93993 ? 383 TRP   A NE1  1 
ATOM   797  C CE2  . TRP   A 1 97  ? 10.36018 -10.88091 13.10976  1.000 28.96924 ? 383 TRP   A CE2  1 
ATOM   798  C CE3  . TRP   A 1 97  ? 12.74087 -11.32240 13.18283  1.000 28.19584 ? 383 TRP   A CE3  1 
ATOM   799  C CZ2  . TRP   A 1 97  ? 10.54489 -9.56540  13.53936  1.000 29.67107 ? 383 TRP   A CZ2  1 
ATOM   800  C CZ3  . TRP   A 1 97  ? 12.92186 -10.02410 13.61335  1.000 27.26166 ? 383 TRP   A CZ3  1 
ATOM   801  C CH2  . TRP   A 1 97  ? 11.83353 -9.15973  13.78679  1.000 27.40023 ? 383 TRP   A CH2  1 
ATOM   802  N N    . ASN   A 1 98  ? 9.37742  -15.73198 13.49372  1.000 33.26490 ? 384 ASN   A N    1 
ATOM   803  C CA   . ASN   A 1 98  ? 9.16907  -16.24262 14.83772  1.000 34.55123 ? 384 ASN   A CA   1 
ATOM   804  C C    . ASN   A 1 98  ? 8.20940  -17.42820 14.80708  1.000 35.54452 ? 384 ASN   A C    1 
ATOM   805  O O    . ASN   A 1 98  ? 8.57905  -18.50619 14.32703  1.000 36.19342 ? 384 ASN   A O    1 
ATOM   806  C CB   . ASN   A 1 98  ? 8.74504  -15.09222 15.75145  1.000 35.28817 ? 384 ASN   A CB   1 
ATOM   807  C CG   . ASN   A 1 98  ? 9.87900  -14.08070 15.96993  1.000 35.32642 ? 384 ASN   A CG   1 
ATOM   808  O OD1  . ASN   A 1 98  ? 11.05135 -14.45169 16.10829  1.000 36.95677 ? 384 ASN   A OD1  1 
ATOM   809  N ND2  . ASN   A 1 98  ? 9.53173  -12.79767 15.97062  1.000 34.29162 ? 384 ASN   A ND2  1 
ATOM   810  N N    . LYS   A 1 99  ? 6.98175  -17.24686 15.29998  1.000 36.87723 ? 385 LYS   A N    1 
ATOM   811  C CA   . LYS   A 1 99  ? 5.94465  -18.27827 15.20746  1.000 37.39783 ? 385 LYS   A CA   1 
ATOM   812  C C    . LYS   A 1 99  ? 5.26468  -18.20169 13.83829  1.000 35.61027 ? 385 LYS   A C    1 
ATOM   813  O O    . LYS   A 1 99  ? 4.08671  -17.86102 13.70590  1.000 37.49521 ? 385 LYS   A O    1 
ATOM   814  C CB   . LYS   A 1 99  ? 4.91252  -18.11017 16.31651  1.000 38.50948 ? 385 LYS   A CB   1 
ATOM   815  C CG   . LYS   A 1 99  ? 5.25534  -18.73178 17.66398  1.000 43.36580 ? 385 LYS   A CG   1 
ATOM   816  C CD   . LYS   A 1 99  ? 3.96704  -19.10558 18.40326  1.000 44.89353 ? 385 LYS   A CD   1 
ATOM   817  C CE   . LYS   A 1 99  ? 4.21858  -19.47536 19.85755  1.000 46.06233 ? 385 LYS   A CE   1 
ATOM   818  N NZ   . LYS   A 1 99  ? 5.05980  -18.45900 20.54861  1.000 48.07250 ? 385 LYS   A NZ   1 
ATOM   819  N N    . GLN   A 1 100 ? 6.03031  -18.53057 12.79476  1.000 35.32010 ? 386 GLN   A N    1 
ATOM   820  C CA   . GLN   A 1 100 ? 5.48929  -18.52773 11.43628  1.000 35.00180 ? 386 GLN   A CA   1 
ATOM   821  C C    . GLN   A 1 100 ? 4.99156  -17.13490 11.04063  1.000 32.35593 ? 386 GLN   A C    1 
ATOM   822  O O    . GLN   A 1 100 ? 3.90781  -16.97563 10.46966  1.000 33.75219 ? 386 GLN   A O    1 
ATOM   823  C CB   . GLN   A 1 100 ? 4.36275  -19.55398 11.30071  1.000 37.41475 ? 386 GLN   A CB   1 
ATOM   824  C CG   . GLN   A 1 100 ? 4.71479  -20.81687 10.55351  1.000 42.50940 ? 386 GLN   A CG   1 
ATOM   825  C CD   . GLN   A 1 100 ? 3.47040  -21.59835 10.15342  1.000 45.29491 ? 386 GLN   A CD   1 
ATOM   826  O OE1  . GLN   A 1 100 ? 3.35305  -22.06874 9.01774   1.000 46.93624 ? 386 GLN   A OE1  1 
ATOM   827  N NE2  . GLN   A 1 100 ? 2.52134  -21.71682 11.08147  1.000 46.25838 ? 386 GLN   A NE2  1 
ATOM   828  N N    . LYS   A 1 101 ? 5.79366  -16.11702 11.34230  1.000 28.49553 ? 387 LYS   A N    1 
ATOM   829  C CA   . LYS   A 1 101 ? 5.41922  -14.72611 11.11286  1.000 27.13951 ? 387 LYS   A CA   1 
ATOM   830  C C    . LYS   A 1 101 ? 6.19567  -14.18120 9.91855   1.000 23.22200 ? 387 LYS   A C    1 
ATOM   831  O O    . LYS   A 1 101 ? 7.42367  -14.07163 9.97259   1.000 23.31171 ? 387 LYS   A O    1 
ATOM   832  C CB   . LYS   A 1 101 ? 5.73211  -13.88894 12.35237  1.000 29.65519 ? 387 LYS   A CB   1 
ATOM   833  C CG   . LYS   A 1 101 ? 4.91917  -14.28101 13.58068  1.000 33.97038 ? 387 LYS   A CG   1 
ATOM   834  C CD   . LYS   A 1 101 ? 3.47511  -13.83081 13.46141  1.000 36.19481 ? 387 LYS   A CD   1 
ATOM   835  C CE   . LYS   A 1 101 ? 2.58907  -15.00015 13.03565  1.000 37.60965 ? 387 LYS   A CE   1 
ATOM   836  N NZ   . LYS   A 1 101 ? 1.44435  -14.57975 12.17770  1.000 38.79263 ? 387 LYS   A NZ   1 
ATOM   837  N N    . TYR   A 1 102 ? 5.47851  -13.81325 8.86030   1.000 20.66779 ? 388 TYR   A N    1 
ATOM   838  C CA   . TYR   A 1 102 ? 6.07327  -13.20616 7.67750   1.000 21.13256 ? 388 TYR   A CA   1 
ATOM   839  C C    . TYR   A 1 102 ? 5.92189  -11.69989 7.75470   1.000 21.79407 ? 388 TYR   A C    1 
ATOM   840  O O    . TYR   A 1 102 ? 4.86764  -11.20175 8.15661   1.000 22.33615 ? 388 TYR   A O    1 
ATOM   841  C CB   . TYR   A 1 102 ? 5.39452  -13.69932 6.39616   1.000 21.49700 ? 388 TYR   A CB   1 
ATOM   842  C CG   . TYR   A 1 102 ? 5.55005  -15.17980 6.16928   1.000 21.40691 ? 388 TYR   A CG   1 
ATOM   843  C CD1  . TYR   A 1 102 ? 6.63982  -15.67382 5.45796   1.000 20.45768 ? 388 TYR   A CD1  1 
ATOM   844  C CD2  . TYR   A 1 102 ? 4.60934  -16.08106 6.64159   1.000 22.13528 ? 388 TYR   A CD2  1 
ATOM   845  C CE1  . TYR   A 1 102 ? 6.80177  -17.02981 5.25655   1.000 19.94702 ? 388 TYR   A CE1  1 
ATOM   846  C CE2  . TYR   A 1 102 ? 4.75629  -17.43945 6.43437   1.000 23.49403 ? 388 TYR   A CE2  1 
ATOM   847  C CZ   . TYR   A 1 102 ? 5.85050  -17.90651 5.73864   1.000 20.60071 ? 388 TYR   A CZ   1 
ATOM   848  O OH   . TYR   A 1 102 ? 6.00854  -19.26481 5.52195   1.000 22.10504 ? 388 TYR   A OH   1 
ATOM   849  N N    . GLU   A 1 103 ? 6.96932  -10.97893 7.34571   1.000 20.13693 ? 389 GLU   A N    1 
ATOM   850  C CA   . GLU   A 1 103 ? 6.98356  -9.52157  7.41668   1.000 20.68957 ? 389 GLU   A CA   1 
ATOM   851  C C    . GLU   A 1 103 ? 7.67737  -8.93666  6.19614   1.000 18.76218 ? 389 GLU   A C    1 
ATOM   852  O O    . GLU   A 1 103 ? 8.60150  -9.53806  5.64563   1.000 18.70247 ? 389 GLU   A O    1 
ATOM   853  C CB   . GLU   A 1 103 ? 7.77061  -9.04448  8.63993   1.000 21.43729 ? 389 GLU   A CB   1 
ATOM   854  C CG   . GLU   A 1 103 ? 7.35673  -9.74067  9.90677   1.000 23.52151 ? 389 GLU   A CG   1 
ATOM   855  C CD   . GLU   A 1 103 ? 6.26187  -9.00384  10.62611  1.000 25.97497 ? 389 GLU   A CD   1 
ATOM   856  O OE1  . GLU   A 1 103 ? 5.74139  -9.55955  11.61756  1.000 41.29399 ? 389 GLU   A OE1  1 
ATOM   857  O OE2  . GLU   A 1 103 ? 5.90706  -7.88393  10.19502  1.000 30.52098 ? 389 GLU   A OE2  1 
ATOM   858  N N    . ALA   A 1 104 ? 7.24338  -7.73846  5.79767   1.000 18.86039 ? 390 ALA   A N    1 
ATOM   859  C CA   . ALA   A 1 104 ? 7.95992  -6.91350  4.83463   1.000 19.28206 ? 390 ALA   A CA   1 
ATOM   860  C C    . ALA   A 1 104 ? 8.73872  -5.83583  5.57913   1.000 21.22858 ? 390 ALA   A C    1 
ATOM   861  O O    . ALA   A 1 104 ? 8.23828  -5.26032  6.55164   1.000 21.16623 ? 390 ALA   A O    1 
ATOM   862  C CB   . ALA   A 1 104 ? 6.98693  -6.24586  3.85405   1.000 20.09115 ? 390 ALA   A CB   1 
ATOM   863  N N    . GLY   A 1 105 ? 9.95108  -5.54369  5.09844   1.000 20.18815 ? 391 GLY   A N    1 
ATOM   864  C CA   . GLY   A 1 105 ? 10.84437 -4.58652  5.74599   1.000 21.07368 ? 391 GLY   A CA   1 
ATOM   865  C C    . GLY   A 1 105 ? 10.53915 -3.11348  5.52051   1.000 20.87923 ? 391 GLY   A C    1 
ATOM   866  O O    . GLY   A 1 105 ? 11.39318 -2.35648  5.04486   1.000 22.89173 ? 391 GLY   A O    1 
ATOM   867  N N    . THR   A 1 106 ? 9.32783  -2.69894  5.87440   1.000 22.40595 ? 392 THR   A N    1 
ATOM   868  C CA   . THR   A 1 106 ? 8.95212  -1.29388  5.95676   1.000 22.93970 ? 392 THR   A CA   1 
ATOM   869  C C    . THR   A 1 106 ? 9.15480  -0.80370  7.39105   1.000 21.99702 ? 392 THR   A C    1 
ATOM   870  O O    . THR   A 1 106 ? 9.32819  -1.59377  8.32068   1.000 22.22572 ? 392 THR   A O    1 
ATOM   871  C CB   . THR   A 1 106 ? 7.48179  -1.14051  5.55969   1.000 22.43701 ? 392 THR   A CB   1 
ATOM   872  O OG1  . THR   A 1 106 ? 6.68209  -1.99434  6.38502   1.000 23.67576 ? 392 THR   A OG1  1 
ATOM   873  C CG2  . THR   A 1 106 ? 7.26760  -1.50356  4.08659   1.000 23.01727 ? 392 THR   A CG2  1 
ATOM   874  N N    . TYR   A 1 107 ? 9.13723  0.51962   7.57319   1.000 24.15487 ? 393 TYR   A N    1 
ATOM   875  C CA   . TYR   A 1 107 ? 9.05907  1.07769   8.92315   1.000 25.92761 ? 393 TYR   A CA   1 
ATOM   876  C C    . TYR   A 1 107 ? 7.70511  1.74188   9.13180   1.000 26.48855 ? 393 TYR   A C    1 
ATOM   877  O O    . TYR   A 1 107 ? 7.36803  2.67376   8.38725   1.000 27.66988 ? 393 TYR   A O    1 
ATOM   878  C CB   . TYR   A 1 107 ? 10.16249 2.09414   9.20202   1.000 26.35338 ? 393 TYR   A CB   1 
ATOM   879  C CG   . TYR   A 1 107 ? 9.95075  2.72499   10.55982  1.000 27.15417 ? 393 TYR   A CG   1 
ATOM   880  C CD1  . TYR   A 1 107 ? 10.14696 1.99166   11.72883  1.000 26.35044 ? 393 TYR   A CD1  1 
ATOM   881  C CD2  . TYR   A 1 107 ? 9.44376  4.01408   10.67193  1.000 30.34905 ? 393 TYR   A CD2  1 
ATOM   882  C CE1  . TYR   A 1 107 ? 9.91833  2.55330   12.97606  1.000 26.10992 ? 393 TYR   A CE1  1 
ATOM   883  C CE2  . TYR   A 1 107 ? 9.20355  4.58121   11.90967  1.000 28.97869 ? 393 TYR   A CE2  1 
ATOM   884  C CZ   . TYR   A 1 107 ? 9.44488  3.85204   13.05590  1.000 28.31692 ? 393 TYR   A CZ   1 
ATOM   885  O OH   . TYR   A 1 107 ? 9.19936  4.42749   14.28726  1.000 29.60018 ? 393 TYR   A OH   1 
ATOM   886  N N    . PRO   A 1 108 ? 6.89026  1.31128   10.10878  1.000 26.66722 ? 394 PRO   A N    1 
ATOM   887  C CA   . PRO   A 1 108 ? 7.09356  0.09781   10.90105  1.000 27.29613 ? 394 PRO   A CA   1 
ATOM   888  C C    . PRO   A 1 108 ? 6.92453  -1.10943  9.99840   1.000 25.42121 ? 394 PRO   A C    1 
ATOM   889  O O    . PRO   A 1 108 ? 6.38759  -0.97906  8.89774   1.000 26.09896 ? 394 PRO   A O    1 
ATOM   890  C CB   . PRO   A 1 108 ? 5.94699  0.14005   11.91988  1.000 29.73165 ? 394 PRO   A CB   1 
ATOM   891  C CG   . PRO   A 1 108 ? 4.94724  1.08775   11.33577  1.000 31.26420 ? 394 PRO   A CG   1 
ATOM   892  C CD   . PRO   A 1 108 ? 5.74146  2.09463   10.59073  1.000 29.12426 ? 394 PRO   A CD   1 
ATOM   893  N N    . GLN   A 1 109 ? 7.36807  -2.27296  10.45705  1.000 26.40820 ? 395 GLN   A N    1 
ATOM   894  C CA   . GLN   A 1 109 ? 7.29597  -3.45214  9.60676   1.000 24.55025 ? 395 GLN   A CA   1 
ATOM   895  C C    . GLN   A 1 109 ? 5.84141  -3.78919  9.28062   1.000 25.64051 ? 395 GLN   A C    1 
ATOM   896  O O    . GLN   A 1 109 ? 4.91390  -3.44421  10.02067  1.000 27.18400 ? 395 GLN   A O    1 
ATOM   897  C CB   . GLN   A 1 109 ? 8.04654  -4.61983  10.25473  1.000 27.40382 ? 395 GLN   A CB   1 
ATOM   898  C CG   . GLN   A 1 109 ? 7.72716  -4.87530  11.70947  1.000 28.80287 ? 395 GLN   A CG   1 
ATOM   899  C CD   . GLN   A 1 109 ? 8.71357  -5.84224  12.35952  1.000 28.86925 ? 395 GLN   A CD   1 
ATOM   900  O OE1  . GLN   A 1 109 ? 8.51281  -7.05673  12.36992  1.000 28.92958 ? 395 GLN   A OE1  1 
ATOM   901  N NE2  . GLN   A 1 109 ? 9.79982  -5.29593  12.89289  1.000 29.51595 ? 395 GLN   A NE2  1 
ATOM   902  N N    . THR   A 1 110 ? 5.64726  -4.41761  8.12305   1.000 23.67508 ? 396 THR   A N    1 
ATOM   903  C CA   . THR   A 1 110 ? 4.32438  -4.75048  7.61242   1.000 25.27168 ? 396 THR   A CA   1 
ATOM   904  C C    . THR   A 1 110 ? 4.11554  -6.24450  7.74876   1.000 25.22232 ? 396 THR   A C    1 
ATOM   905  O O    . THR   A 1 110 ? 4.76996  -7.02064  7.03333   1.000 22.86115 ? 396 THR   A O    1 
ATOM   906  C CB   . THR   A 1 110 ? 4.21390  -4.34812  6.14305   1.000 24.49168 ? 396 THR   A CB   1 
ATOM   907  O OG1  . THR   A 1 110 ? 4.27720  -2.92104  6.03011   1.000 25.88707 ? 396 THR   A OG1  1 
ATOM   908  C CG2  . THR   A 1 110 ? 2.89919  -4.86083  5.54673   1.000 24.91157 ? 396 THR   A CG2  1 
ATOM   909  N N    . PRO   A 1 111 ? 3.23491  -6.69699  8.63730   1.000 25.25866 ? 397 PRO   A N    1 
ATOM   910  C CA   . PRO   A 1 111 ? 2.90420  -8.12470  8.68035   1.000 25.06195 ? 397 PRO   A CA   1 
ATOM   911  C C    . PRO   A 1 111 ? 2.27812  -8.58277  7.37118   1.000 24.71220 ? 397 PRO   A C    1 
ATOM   912  O O    . PRO   A 1 111 ? 1.46901  -7.88101  6.75638   1.000 25.72916 ? 397 PRO   A O    1 
ATOM   913  C CB   . PRO   A 1 111 ? 1.91791  -8.22505  9.85207   1.000 25.96244 ? 397 PRO   A CB   1 
ATOM   914  C CG   . PRO   A 1 111 ? 2.19124  -6.98406  10.67325  1.000 28.27488 ? 397 PRO   A CG   1 
ATOM   915  C CD   . PRO   A 1 111 ? 2.50185  -5.93475  9.66162   1.000 26.56286 ? 397 PRO   A CD   1 
ATOM   916  N N    . LEU   A 1 112 ? 2.68476  -9.77035  6.94005   1.000 24.48368 ? 398 LEU   A N    1 
ATOM   917  C CA   . LEU   A 1 112 ? 2.21186  -10.38425 5.71199   1.000 25.30425 ? 398 LEU   A CA   1 
ATOM   918  C C    . LEU   A 1 112 ? 1.39886  -11.60317 6.10808   1.000 26.76364 ? 398 LEU   A C    1 
ATOM   919  O O    . LEU   A 1 112 ? 1.85843  -12.42582 6.90689   1.000 29.30565 ? 398 LEU   A O    1 
ATOM   920  C CB   . LEU   A 1 112 ? 3.41189  -10.82456 4.87007   1.000 23.84761 ? 398 LEU   A CB   1 
ATOM   921  C CG   . LEU   A 1 112 ? 4.32679  -9.68828  4.40535   1.000 21.98071 ? 398 LEU   A CG   1 
ATOM   922  C CD1  . LEU   A 1 112 ? 5.55925  -10.26122 3.70070   1.000 22.08776 ? 398 LEU   A CD1  1 
ATOM   923  C CD2  . LEU   A 1 112 ? 3.57949  -8.69793  3.50466   1.000 23.46482 ? 398 LEU   A CD2  1 
ATOM   924  N N    . HIS   A 1 113 ? 0.20279  -11.72214 5.55816   1.000 27.62968 ? 399 HIS   A N    1 
ATOM   925  C CA   . HIS   A 1 113 ? -0.72632 -12.76741 5.96816   1.000 28.80067 ? 399 HIS   A CA   1 
ATOM   926  C C    . HIS   A 1 113 ? -0.80833 -13.76585 4.82151   1.000 30.77529 ? 399 HIS   A C    1 
ATOM   927  O O    . HIS   A 1 113 ? -1.49727 -13.53232 3.82400   1.000 30.56658 ? 399 HIS   A O    1 
ATOM   928  C CB   . HIS   A 1 113 ? -2.05585 -12.12602 6.32836   1.000 31.08992 ? 399 HIS   A CB   1 
ATOM   929  C CG   . HIS   A 1 113 ? -1.91309 -11.07301 7.38003   1.000 30.34264 ? 399 HIS   A CG   1 
ATOM   930  N ND1  . HIS   A 1 113 ? -1.30146 -11.31617 8.59095   1.000 32.19750 ? 399 HIS   A ND1  1 
ATOM   931  C CD2  . HIS   A 1 113 ? -2.24043 -9.75869  7.38043   1.000 32.25197 ? 399 HIS   A CD2  1 
ATOM   932  C CE1  . HIS   A 1 113 ? -1.28437 -10.20458 9.30421   1.000 30.65418 ? 399 HIS   A CE1  1 
ATOM   933  N NE2  . HIS   A 1 113 ? -1.84618 -9.24478  8.59165   1.000 31.47249 ? 399 HIS   A NE2  1 
ATOM   934  N N    . LEU   A 1 114 ? -0.06207 -14.85814 4.95248   1.000 30.33285 ? 400 LEU   A N    1 
ATOM   935  C CA   . LEU   A 1 114 ? 0.10323  -15.83385 3.88175   1.000 30.71657 ? 400 LEU   A CA   1 
ATOM   936  C C    . LEU   A 1 114 ? -0.67159 -17.08863 4.26741   1.000 33.36586 ? 400 LEU   A C    1 
ATOM   937  O O    . LEU   A 1 114 ? -0.20197 -17.90371 5.06860   1.000 33.30519 ? 400 LEU   A O    1 
ATOM   938  C CB   . LEU   A 1 114 ? 1.58234  -16.11769 3.63684   1.000 27.38349 ? 400 LEU   A CB   1 
ATOM   939  C CG   . LEU   A 1 114 ? 2.47113  -14.89814 3.39096   1.000 27.02262 ? 400 LEU   A CG   1 
ATOM   940  C CD1  . LEU   A 1 114 ? 3.83790  -15.35199 2.90683   1.000 24.44382 ? 400 LEU   A CD1  1 
ATOM   941  C CD2  . LEU   A 1 114 ? 1.83080  -13.94473 2.38935   1.000 27.97039 ? 400 LEU   A CD2  1 
ATOM   942  N N    . GLN   A 1 115 ? -1.87090 -17.22534 3.69822   1.000 34.11097 ? 401 GLN   A N    1 
ATOM   943  C CA   . GLN   A 1 115 ? -2.68984 -18.40482 3.94915   1.000 36.65177 ? 401 GLN   A CA   1 
ATOM   944  C C    . GLN   A 1 115 ? -1.96106 -19.67954 3.55219   1.000 33.15525 ? 401 GLN   A C    1 
ATOM   945  O O    . GLN   A 1 115 ? -2.14100 -20.72384 4.18851   1.000 31.92212 ? 401 GLN   A O    1 
ATOM   946  C CB   . GLN   A 1 115 ? -3.99806 -18.29178 3.16685   1.000 39.92147 ? 401 GLN   A CB   1 
ATOM   947  C CG   . GLN   A 1 115 ? -4.98962 -17.29236 3.74496   1.000 44.80379 ? 401 GLN   A CG   1 
ATOM   948  C CD   . GLN   A 1 115 ? -5.96157 -16.77315 2.69978   1.000 51.44432 ? 401 GLN   A CD   1 
ATOM   949  O OE1  . GLN   A 1 115 ? -5.55922 -16.37424 1.60191   1.000 52.89341 ? 401 GLN   A OE1  1 
ATOM   950  N NE2  . GLN   A 1 115 ? -7.24977 -16.77032 3.03719   1.000 53.53816 ? 401 GLN   A NE2  1 
ATOM   951  N N    . VAL   A 1 116 ? -1.14172 -19.61354 2.50819   1.000 30.64113 ? 402 VAL   A N    1 
ATOM   952  C CA   . VAL   A 1 116 ? -0.35829 -20.74929 2.03205   1.000 27.91410 ? 402 VAL   A CA   1 
ATOM   953  C C    . VAL   A 1 116 ? 1.11305  -20.43933 2.28831   1.000 25.60862 ? 402 VAL   A C    1 
ATOM   954  O O    . VAL   A 1 116 ? 1.69250  -19.61286 1.57424   1.000 25.19941 ? 402 VAL   A O    1 
ATOM   955  C CB   . VAL   A 1 116 ? -0.62662 -20.99187 0.53775   1.000 27.71066 ? 402 VAL   A CB   1 
ATOM   956  C CG1  . VAL   A 1 116 ? 0.34103  -22.00773 -0.02354  1.000 27.37631 ? 402 VAL   A CG1  1 
ATOM   957  C CG2  . VAL   A 1 116 ? -2.07242 -21.42955 0.31542   1.000 29.31152 ? 402 VAL   A CG2  1 
ATOM   958  N N    . PRO   A 1 117 ? 1.74889  -21.03754 3.29286   1.000 25.30971 ? 403 PRO   A N    1 
ATOM   959  C CA   . PRO   A 1 117 ? 3.16784  -20.74430 3.55471   1.000 25.04238 ? 403 PRO   A CA   1 
ATOM   960  C C    . PRO   A 1 117 ? 4.01527  -21.12267 2.35223   1.000 23.34995 ? 403 PRO   A C    1 
ATOM   961  O O    . PRO   A 1 117 ? 3.93169  -22.25640 1.86097   1.000 24.22106 ? 403 PRO   A O    1 
ATOM   962  C CB   . PRO   A 1 117 ? 3.49057  -21.64918 4.75222   1.000 27.44542 ? 403 PRO   A CB   1 
ATOM   963  C CG   . PRO   A 1 117 ? 2.16664  -21.80917 5.44469   1.000 29.11152 ? 403 PRO   A CG   1 
ATOM   964  C CD   . PRO   A 1 117 ? 1.19727  -21.96524 4.29550   1.000 26.52452 ? 403 PRO   A CD   1 
ATOM   965  N N    . PRO   A 1 118 ? 4.84098  -20.21250 1.84480   1.000 21.06434 ? 404 PRO   A N    1 
ATOM   966  C CA   . PRO   A 1 118 ? 5.56675  -20.52078 0.60232   1.000 21.31548 ? 404 PRO   A CA   1 
ATOM   967  C C    . PRO   A 1 118 ? 6.66375  -21.54984 0.82753   1.000 20.54607 ? 404 PRO   A C    1 
ATOM   968  O O    . PRO   A 1 118 ? 7.41917  -21.49219 1.80188   1.000 20.87453 ? 404 PRO   A O    1 
ATOM   969  C CB   . PRO   A 1 118 ? 6.15712  -19.17328 0.16259   1.000 21.79244 ? 404 PRO   A CB   1 
ATOM   970  C CG   . PRO   A 1 118 ? 5.99372  -18.24467 1.31078   1.000 21.43785 ? 404 PRO   A CG   1 
ATOM   971  C CD   . PRO   A 1 118 ? 4.97836  -18.80503 2.26295   1.000 21.58914 ? 404 PRO   A CD   1 
ATOM   972  N N    . CYS   A 1 119 ? 6.74078  -22.51315 -0.08609  1.000 19.44997 ? 405 CYS   A N    1 
ATOM   973  C CA   . CYS   A 1 119 ? 7.92081  -23.36543 -0.15983  1.000 20.00417 ? 405 CYS   A CA   1 
ATOM   974  C C    . CYS   A 1 119 ? 8.98067  -22.78593 -1.07578  1.000 18.84676 ? 405 CYS   A C    1 
ATOM   975  O O    . CYS   A 1 119 ? 10.16268 -23.09384 -0.91434  1.000 19.01695 ? 405 CYS   A O    1 
ATOM   976  C CB   . CYS   A 1 119 ? 7.54837  -24.76541 -0.64795  1.000 20.98847 ? 405 CYS   A CB   1 
ATOM   977  S SG   . CYS   A 1 119 ? 6.51961  -25.66374 0.52855   1.000 27.70215 ? 405 CYS   A SG   1 
ATOM   978  N N    . GLN   A 1 120 ? 8.57736  -21.96962 -2.04708  1.000 18.21035 ? 406 GLN   A N    1 
ATOM   979  C CA   . GLN   A 1 120 ? 9.51905  -21.23845 -2.88855  1.000 18.42367 ? 406 GLN   A CA   1 
ATOM   980  C C    . GLN   A 1 120 ? 9.00756  -19.81551 -3.03663  1.000 17.94237 ? 406 GLN   A C    1 
ATOM   981  O O    . GLN   A 1 120 ? 7.79543  -19.57702 -3.04569  1.000 18.62553 ? 406 GLN   A O    1 
ATOM   982  C CB   . GLN   A 1 120 ? 9.70250  -21.84169 -4.29602  1.000 20.78292 ? 406 GLN   A CB   1 
ATOM   983  C CG   . GLN   A 1 120 ? 10.28064 -23.24094 -4.31386  1.000 21.11335 ? 406 GLN   A CG   1 
ATOM   984  C CD   . GLN   A 1 120 ? 9.19289  -24.28002 -4.34248  1.000 23.79030 ? 406 GLN   A CD   1 
ATOM   985  O OE1  . GLN   A 1 120 ? 8.11438  -24.03412 -4.88250  1.000 25.55091 ? 406 GLN   A OE1  1 
ATOM   986  N NE2  . GLN   A 1 120 ? 9.45410  -25.43884 -3.74934  1.000 25.78386 ? 406 GLN   A NE2  1 
ATOM   987  N N    . VAL   A 1 121 ? 9.94917  -18.87712 -3.12500  1.000 17.32594 ? 407 VAL   A N    1 
ATOM   988  C CA   . VAL   A 1 121 ? 9.65915  -17.44965 -3.23411  1.000 17.55650 ? 407 VAL   A CA   1 
ATOM   989  C C    . VAL   A 1 121 ? 10.31005 -16.93994 -4.50844  1.000 18.73980 ? 407 VAL   A C    1 
ATOM   990  O O    . VAL   A 1 121 ? 11.50401 -17.16823 -4.72616  1.000 18.99806 ? 407 VAL   A O    1 
ATOM   991  C CB   . VAL   A 1 121 ? 10.21411 -16.68512 -2.02103  1.000 17.83321 ? 407 VAL   A CB   1 
ATOM   992  C CG1  . VAL   A 1 121 ? 9.99973  -15.17892 -2.20599  1.000 18.60856 ? 407 VAL   A CG1  1 
ATOM   993  C CG2  . VAL   A 1 121 ? 9.53438  -17.17028 -0.75206  1.000 19.01060 ? 407 VAL   A CG2  1 
ATOM   994  N N    . GLY   A 1 122 ? 9.54051  -16.23558 -5.33591  1.000 17.40837 ? 408 GLY   A N    1 
ATOM   995  C CA   . GLY   A 1 122 ? 10.11289 -15.52832 -6.48532  1.000 18.27607 ? 408 GLY   A CA   1 
ATOM   996  C C    . GLY   A 1 122 ? 10.42065 -14.07330 -6.15347  1.000 19.85029 ? 408 GLY   A C    1 
ATOM   997  O O    . GLY   A 1 122 ? 9.62139  -13.38898 -5.51814  1.000 20.42390 ? 408 GLY   A O    1 
ATOM   998  N N    . ILE   A 1 123 ? 11.60393 -13.61932 -6.57007  1.000 21.36767 ? 409 ILE   A N    1 
ATOM   999  C CA   . ILE   A 1 123 ? 12.04402 -12.23358 -6.37450  1.000 21.08147 ? 409 ILE   A CA   1 
ATOM   1000 C C    . ILE   A 1 123 ? 12.22334 -11.60842 -7.74764  1.000 22.79670 ? 409 ILE   A C    1 
ATOM   1001 O O    . ILE   A 1 123 ? 13.03840 -12.09025 -8.54652  1.000 23.24088 ? 409 ILE   A O    1 
ATOM   1002 C CB   . ILE   A 1 123 ? 13.34090 -12.13006 -5.54947  1.000 22.10701 ? 409 ILE   A CB   1 
ATOM   1003 C CG1  . ILE   A 1 123 ? 13.19048 -12.82159 -4.18687  1.000 21.64551 ? 409 ILE   A CG1  1 
ATOM   1004 C CG2  . ILE   A 1 123 ? 13.72774 -10.66780 -5.33602  1.000 22.88483 ? 409 ILE   A CG2  1 
ATOM   1005 C CD1  . ILE   A 1 123 ? 13.67803 -14.25258 -4.18859  1.000 21.83221 ? 409 ILE   A CD1  1 
ATOM   1006 N N    . PHE   A 1 124 ? 11.46443 -10.54068 -8.01528  1.000 22.16491 ? 410 PHE   A N    1 
ATOM   1007 C CA   . PHE   A 1 124 ? 11.44074 -9.85248  -9.30514  1.000 22.87272 ? 410 PHE   A CA   1 
ATOM   1008 C C    . PHE   A 1 124 ? 11.84899 -8.39852  -9.11189  1.000 23.56912 ? 410 PHE   A C    1 
ATOM   1009 O O    . PHE   A 1 124 ? 11.18131 -7.65405  -8.38882  1.000 25.49708 ? 410 PHE   A O    1 
ATOM   1010 C CB   . PHE   A 1 124 ? 10.04988 -9.93158  -9.94099  1.000 23.74083 ? 410 PHE   A CB   1 
ATOM   1011 C CG   . PHE   A 1 124 ? 10.06534 -9.84958  -11.44324 1.000 25.88056 ? 410 PHE   A CG   1 
ATOM   1012 C CD1  . PHE   A 1 124 ? 9.67496  -10.92855 -12.21829 1.000 27.87332 ? 410 PHE   A CD1  1 
ATOM   1013 C CD2  . PHE   A 1 124 ? 10.43338 -8.67054  -12.07764 1.000 27.80445 ? 410 PHE   A CD2  1 
ATOM   1014 C CE1  . PHE   A 1 124 ? 9.68956  -10.85107 -13.60324 1.000 26.72393 ? 410 PHE   A CE1  1 
ATOM   1015 C CE2  . PHE   A 1 124 ? 10.43924 -8.57946  -13.45539 1.000 28.90256 ? 410 PHE   A CE2  1 
ATOM   1016 C CZ   . PHE   A 1 124 ? 10.06777 -9.67535  -14.22137 1.000 29.45250 ? 410 PHE   A CZ   1 
ATOM   1017 N N    . LEU   A 1 125 ? 12.93540 -8.00278  -9.76811  1.000 24.83660 ? 411 LEU   A N    1 
ATOM   1018 C CA   . LEU   A 1 125 ? 13.46115 -6.64628  -9.72314  1.000 24.30315 ? 411 LEU   A CA   1 
ATOM   1019 C C    . LEU   A 1 125 ? 13.20466 -5.98114  -11.06582 1.000 25.29504 ? 411 LEU   A C    1 
ATOM   1020 O O    . LEU   A 1 125 ? 13.48797 -6.57212  -12.11008 1.000 26.17960 ? 411 LEU   A O    1 
ATOM   1021 C CB   . LEU   A 1 125 ? 14.96987 -6.70179  -9.49391  1.000 25.06273 ? 411 LEU   A CB   1 
ATOM   1022 C CG   . LEU   A 1 125 ? 15.74315 -5.39276  -9.66720  1.000 24.94544 ? 411 LEU   A CG   1 
ATOM   1023 C CD1  . LEU   A 1 125 ? 15.24604 -4.36267  -8.65287  1.000 24.88076 ? 411 LEU   A CD1  1 
ATOM   1024 C CD2  . LEU   A 1 125 ? 17.24497 -5.62202  -9.53873  1.000 26.80317 ? 411 LEU   A CD2  1 
ATOM   1025 N N    . ASP   A 1 126 ? 12.67518 -4.75755  -11.03904 1.000 26.25676 ? 412 ASP   A N    1 
ATOM   1026 C CA   . ASP   A 1 126 ? 12.60300 -3.90720  -12.22758 1.000 25.71070 ? 412 ASP   A CA   1 
ATOM   1027 C C    . ASP   A 1 126 ? 13.32999 -2.60588  -11.88704 1.000 23.65571 ? 412 ASP   A C    1 
ATOM   1028 O O    . ASP   A 1 126 ? 12.78049 -1.74266  -11.19627 1.000 26.70507 ? 412 ASP   A O    1 
ATOM   1029 C CB   . ASP   A 1 126 ? 11.15300 -3.65809  -12.64850 1.000 28.31429 ? 412 ASP   A CB   1 
ATOM   1030 C CG   . ASP   A 1 126 ? 11.04441 -2.93927  -13.98764 1.000 31.06240 ? 412 ASP   A CG   1 
ATOM   1031 O OD1  . ASP   A 1 126 ? 11.99585 -2.22280  -14.36525 1.000 31.03891 ? 412 ASP   A OD1  1 
ATOM   1032 O OD2  . ASP   A 1 126 ? 9.99642  -3.07902  -14.66074 1.000 32.05339 ? 412 ASP   A OD2  1 
ATOM   1033 N N    . TYR   A 1 127 ? 14.56744 -2.48369  -12.36503 1.000 26.94166 ? 413 TYR   A N    1 
ATOM   1034 C CA   . TYR   A 1 127 ? 15.40125 -1.34442  -11.98736 1.000 27.14535 ? 413 TYR   A CA   1 
ATOM   1035 C C    . TYR   A 1 127 ? 14.76451 -0.02093  -12.39672 1.000 27.72171 ? 413 TYR   A C    1 
ATOM   1036 O O    . TYR   A 1 127 ? 14.56256 0.86971   -11.55993 1.000 27.84306 ? 413 TYR   A O    1 
ATOM   1037 C CB   . TYR   A 1 127 ? 16.80846 -1.49407  -12.57290 1.000 28.36393 ? 413 TYR   A CB   1 
ATOM   1038 C CG   . TYR   A 1 127 ? 17.81288 -0.56199  -11.92905 1.000 30.40483 ? 413 TYR   A CG   1 
ATOM   1039 C CD1  . TYR   A 1 127 ? 17.78898 0.79831   -12.20093 1.000 31.45771 ? 413 TYR   A CD1  1 
ATOM   1040 C CD2  . TYR   A 1 127 ? 18.75657 -1.03376  -11.02550 1.000 29.15143 ? 413 TYR   A CD2  1 
ATOM   1041 C CE1  . TYR   A 1 127 ? 18.68949 1.66518   -11.61089 1.000 31.07055 ? 413 TYR   A CE1  1 
ATOM   1042 C CE2  . TYR   A 1 127 ? 19.66575 -0.17123  -10.42520 1.000 30.99426 ? 413 TYR   A CE2  1 
ATOM   1043 C CZ   . TYR   A 1 127 ? 19.62240 1.17813   -10.72374 1.000 31.55370 ? 413 TYR   A CZ   1 
ATOM   1044 O OH   . TYR   A 1 127 ? 20.51367 2.05260   -10.14104 1.000 31.29451 ? 413 TYR   A OH   1 
ATOM   1045 N N    . GLU   A 1 128 ? 14.42486 0.12010   -13.68139 1.000 30.90162 ? 414 GLU   A N    1 
ATOM   1046 C CA   . GLU   A 1 128 ? 13.93866 1.40410   -14.17443 1.000 31.65380 ? 414 GLU   A CA   1 
ATOM   1047 C C    . GLU   A 1 128 ? 12.61325 1.79709   -13.53367 1.000 30.32207 ? 414 GLU   A C    1 
ATOM   1048 O O    . GLU   A 1 128 ? 12.34738 2.98898   -13.34109 1.000 33.45474 ? 414 GLU   A O    1 
ATOM   1049 C CB   . GLU   A 1 128 ? 13.81548 1.37111   -15.69645 1.000 33.00379 ? 414 GLU   A CB   1 
ATOM   1050 C CG   . GLU   A 1 128 ? 15.12819 1.63766   -16.41957 1.000 35.47991 ? 414 GLU   A CG   1 
ATOM   1051 C CD   . GLU   A 1 128 ? 15.96306 0.38407   -16.59950 1.000 38.94399 ? 414 GLU   A CD   1 
ATOM   1052 O OE1  . GLU   A 1 128 ? 15.55586 -0.68173  -16.08979 1.000 40.15925 ? 414 GLU   A OE1  1 
ATOM   1053 O OE2  . GLU   A 1 128 ? 17.02692 0.46136   -17.25218 1.000 42.58067 ? 414 GLU   A OE2  1 
ATOM   1054 N N    . ALA   A 1 129 ? 11.76917 0.82243   -13.19714 1.000 29.44885 ? 415 ALA   A N    1 
ATOM   1055 C CA   . ALA   A 1 129 ? 10.49423 1.12081   -12.56209 1.000 29.72157 ? 415 ALA   A CA   1 
ATOM   1056 C C    . ALA   A 1 129 ? 10.60836 1.37728   -11.06558 1.000 28.15937 ? 415 ALA   A C    1 
ATOM   1057 O O    . ALA   A 1 129 ? 9.64243  1.86083   -10.46687 1.000 31.52248 ? 415 ALA   A O    1 
ATOM   1058 C CB   . ALA   A 1 129 ? 9.49340  -0.00907  -12.81446 1.000 30.17801 ? 415 ALA   A CB   1 
ATOM   1059 N N    . GLY   A 1 130 ? 11.74377 1.06301   -10.44803 1.000 29.57816 ? 416 GLY   A N    1 
ATOM   1060 C CA   . GLY   A 1 130 ? 11.88242 1.22198   -9.00914  1.000 28.44212 ? 416 GLY   A CA   1 
ATOM   1061 C C    . GLY   A 1 130 ? 11.03643 0.24980   -8.21381  1.000 26.36068 ? 416 GLY   A C    1 
ATOM   1062 O O    . GLY   A 1 130 ? 10.38230 0.65031   -7.24235  1.000 27.05457 ? 416 GLY   A O    1 
ATOM   1063 N N    . MET   A 1 131 ? 11.04195 -1.02719  -8.59769  1.000 26.89488 ? 417 MET   A N    1 
ATOM   1064 C CA   . MET   A 1 131 ? 10.10081 -2.00429  -8.07679  1.000 26.08020 ? 417 MET   A CA   1 
ATOM   1065 C C    . MET   A 1 131 ? 10.84836 -3.28224  -7.71513  1.000 23.27711 ? 417 MET   A C    1 
ATOM   1066 O O    . MET   A 1 131 ? 11.74743 -3.71337  -8.44750  1.000 24.87859 ? 417 MET   A O    1 
ATOM   1067 C CB   . MET   A 1 131 ? 9.09011  -2.30509  -9.18097  1.000 28.06830 ? 417 MET   A CB   1 
ATOM   1068 C CG   . MET   A 1 131 ? 7.96192  -1.29853  -9.22464  1.000 31.18794 ? 417 MET   A CG   1 
ATOM   1069 S SD   . MET   A 1 131 ? 6.57105  -1.85625  -10.20921 1.000 37.71701 ? 417 MET   A SD   1 
ATOM   1070 C CE   . MET   A 1 131 ? 5.79706  -2.99763  -9.07619  1.000 30.43482 ? 417 MET   A CE   1 
ATOM   1071 N N    . VAL   A 1 132 ? 10.49485 -3.85079  -6.55925  1.000 24.24987 ? 418 VAL   A N    1 
ATOM   1072 C CA   . VAL   A 1 132 ? 10.90704 -5.19128  -6.13936  1.000 22.57478 ? 418 VAL   A CA   1 
ATOM   1073 C C    . VAL   A 1 132 ? 9.65303  -5.89935  -5.66340  1.000 21.45696 ? 418 VAL   A C    1 
ATOM   1074 O O    . VAL   A 1 132 ? 8.99611  -5.41917  -4.73435  1.000 22.65344 ? 418 VAL   A O    1 
ATOM   1075 C CB   . VAL   A 1 132 ? 11.93710 -5.15687  -4.99403  1.000 22.19261 ? 418 VAL   A CB   1 
ATOM   1076 C CG1  . VAL   A 1 132 ? 12.47943 -6.57010  -4.70257  1.000 22.61458 ? 418 VAL   A CG1  1 
ATOM   1077 C CG2  . VAL   A 1 132 ? 13.07188 -4.20212  -5.31282  1.000 24.86362 ? 418 VAL   A CG2  1 
ATOM   1078 N N    . SER   A 1 133 ? 9.32125  -7.03736  -6.28956  1.000 21.83500 ? 419 SER   A N    1 
ATOM   1079 C CA   . SER   A 1 133 ? 8.12932  -7.79845  -5.94951  1.000 20.85116 ? 419 SER   A CA   1 
ATOM   1080 C C    . SER   A 1 133 ? 8.50998  -9.21889  -5.55271  1.000 17.82006 ? 419 SER   A C    1 
ATOM   1081 O O    . SER   A 1 133 ? 9.51374  -9.77643  -6.02669  1.000 20.10562 ? 419 SER   A O    1 
ATOM   1082 C CB   . SER   A 1 133 ? 7.13522  -7.86129  -7.12362  1.000 22.38344 ? 419 SER   A CB   1 
ATOM   1083 O OG   . SER   A 1 133 ? 6.83399  -6.56859  -7.63454  1.000 23.81419 ? 419 SER   A OG   1 
ATOM   1084 N N    . PHE   A 1 134 ? 7.69065  -9.78280  -4.67668  1.000 19.66263 ? 420 PHE   A N    1 
ATOM   1085 C CA   . PHE   A 1 134 ? 7.89118  -11.10670 -4.11177  1.000 18.51752 ? 420 PHE   A CA   1 
ATOM   1086 C C    . PHE   A 1 134 ? 6.65647  -11.92965 -4.41297  1.000 19.73642 ? 420 PHE   A C    1 
ATOM   1087 O O    . PHE   A 1 134 ? 5.53592  -11.47253 -4.16457  1.000 20.04267 ? 420 PHE   A O    1 
ATOM   1088 C CB   . PHE   A 1 134 ? 8.11615  -10.99733 -2.59797  1.000 19.31381 ? 420 PHE   A CB   1 
ATOM   1089 C CG   . PHE   A 1 134 ? 9.35295  -10.23786 -2.24284  1.000 19.04041 ? 420 PHE   A CG   1 
ATOM   1090 C CD1  . PHE   A 1 134 ? 9.34540  -8.84820  -2.20219  1.000 19.40659 ? 420 PHE   A CD1  1 
ATOM   1091 C CD2  . PHE   A 1 134 ? 10.53537 -10.91103 -1.98509  1.000 17.72711 ? 420 PHE   A CD2  1 
ATOM   1092 C CE1  . PHE   A 1 134 ? 10.50792 -8.14117  -1.89298  1.000 20.20712 ? 420 PHE   A CE1  1 
ATOM   1093 C CE2  . PHE   A 1 134 ? 11.70046 -10.22522 -1.68200  1.000 17.47870 ? 420 PHE   A CE2  1 
ATOM   1094 C CZ   . PHE   A 1 134 ? 11.68847 -8.82812  -1.63428  1.000 18.61891 ? 420 PHE   A CZ   1 
ATOM   1095 N N    . TYR   A 1 135 ? 6.86538  -13.13346 -4.96016  1.000 17.34574 ? 421 TYR   A N    1 
ATOM   1096 C CA   . TYR   A 1 135 ? 5.77667  -14.02217 -5.35981  1.000 19.18191 ? 421 TYR   A CA   1 
ATOM   1097 C C    . TYR   A 1 135 ? 5.77602  -15.32578 -4.57887  1.000 17.73700 ? 421 TYR   A C    1 
ATOM   1098 O O    . TYR   A 1 135 ? 6.83187  -15.90883 -4.31096  1.000 18.36035 ? 421 TYR   A O    1 
ATOM   1099 C CB   . TYR   A 1 135 ? 5.84594  -14.31174 -6.85624  1.000 19.22123 ? 421 TYR   A CB   1 
ATOM   1100 C CG   . TYR   A 1 135 ? 5.63979  -13.05297 -7.64862  1.000 18.42368 ? 421 TYR   A CG   1 
ATOM   1101 C CD1  . TYR   A 1 135 ? 4.36173  -12.61484 -7.95083  1.000 20.57960 ? 421 TYR   A CD1  1 
ATOM   1102 C CD2  . TYR   A 1 135 ? 6.72356  -12.27632 -8.05062  1.000 19.40985 ? 421 TYR   A CD2  1 
ATOM   1103 C CE1  . TYR   A 1 135 ? 4.15217  -11.44098 -8.66020  1.000 19.18378 ? 421 TYR   A CE1  1 
ATOM   1104 C CE2  . TYR   A 1 135 ? 6.52472  -11.10065 -8.76486  1.000 21.09443 ? 421 TYR   A CE2  1 
ATOM   1105 C CZ   . TYR   A 1 135 ? 5.23235  -10.69364 -9.06189  1.000 21.45533 ? 421 TYR   A CZ   1 
ATOM   1106 O OH   . TYR   A 1 135 ? 5.02004  -9.53240  -9.76271  1.000 24.02977 ? 421 TYR   A OH   1 
ATOM   1107 N N    . ASN   A 1 136 ? 4.57313  -15.78508 -4.23396  1.000 18.06385 ? 422 ASN   A N    1 
ATOM   1108 C CA   . ASN   A 1 136 ? 4.38513  -17.04668 -3.51611  1.000 18.74975 ? 422 ASN   A CA   1 
ATOM   1109 C C    . ASN   A 1 136 ? 4.22586  -18.15068 -4.55624  1.000 19.60933 ? 422 ASN   A C    1 
ATOM   1110 O O    . ASN   A 1 136 ? 3.12721  -18.37958 -5.06348  1.000 21.10077 ? 422 ASN   A O    1 
ATOM   1111 C CB   . ASN   A 1 136 ? 3.17192  -16.94592 -2.59551  1.000 19.29100 ? 422 ASN   A CB   1 
ATOM   1112 C CG   . ASN   A 1 136 ? 2.98948  -18.16923 -1.73854  1.000 20.21403 ? 422 ASN   A CG   1 
ATOM   1113 O OD1  . ASN   A 1 136 ? 3.53362  -19.23865 -2.03534  1.000 19.73093 ? 422 ASN   A OD1  1 
ATOM   1114 N ND2  . ASN   A 1 136 ? 2.24645  -18.02230 -0.64311  1.000 22.08923 ? 422 ASN   A ND2  1 
ATOM   1115 N N    . ILE   A 1 137 ? 5.33569  -18.83840 -4.86250  1.000 19.42492 ? 423 ILE   A N    1 
ATOM   1116 C CA   . ILE   A 1 137 ? 5.35233  -19.86027 -5.91556  1.000 21.02573 ? 423 ILE   A CA   1 
ATOM   1117 C C    . ILE   A 1 137 ? 4.35517  -20.96668 -5.60081  1.000 21.87595 ? 423 ILE   A C    1 
ATOM   1118 O O    . ILE   A 1 137 ? 3.69802  -21.51236 -6.50222  1.000 23.17112 ? 423 ILE   A O    1 
ATOM   1119 C CB   . ILE   A 1 137 ? 6.77619  -20.43354 -6.05309  1.000 20.04322 ? 423 ILE   A CB   1 
ATOM   1120 C CG1  . ILE   A 1 137 ? 7.79271  -19.36199 -6.47138  1.000 25.24922 ? 423 ILE   A CG1  1 
ATOM   1121 C CG2  . ILE   A 1 137 ? 6.79222  -21.63115 -7.00022  1.000 24.22949 ? 423 ILE   A CG2  1 
ATOM   1122 C CD1  . ILE   A 1 137 ? 7.36735  -18.50948 -7.62387  1.000 25.82768 ? 423 ILE   A CD1  1 
ATOM   1123 N N    . THR   A 1 138 ? 4.25317  -21.33206 -4.31874  1.000 21.61804 ? 424 THR   A N    1 
ATOM   1124 C CA   . THR   A 1 138 ? 3.38654  -22.42111 -3.87185  1.000 21.22985 ? 424 THR   A CA   1 
ATOM   1125 C C    . THR   A 1 138 ? 1.91249  -22.08176 -4.03888  1.000 22.24621 ? 424 THR   A C    1 
ATOM   1126 O O    . THR   A 1 138 ? 1.09848  -22.96670 -4.33668  1.000 25.90197 ? 424 THR   A O    1 
ATOM   1127 C CB   . THR   A 1 138 ? 3.70392  -22.71626 -2.41332  1.000 21.82310 ? 424 THR   A CB   1 
ATOM   1128 O OG1  . THR   A 1 138 ? 5.11708  -22.87513 -2.29344  1.000 20.70899 ? 424 THR   A OG1  1 
ATOM   1129 C CG2  . THR   A 1 138 ? 2.97735  -23.97145 -1.91607  1.000 22.58540 ? 424 THR   A CG2  1 
ATOM   1130 N N    . ASP   A 1 139 ? 1.54715  -20.81519 -3.83730  1.000 22.02753 ? 425 ASP   A N    1 
ATOM   1131 C CA   . ASP   A 1 139 ? 0.18593  -20.31740 -4.03577  1.000 22.60149 ? 425 ASP   A CA   1 
ATOM   1132 C C    . ASP   A 1 139 ? -0.02934 -19.80031 -5.45013  1.000 21.87134 ? 425 ASP   A C    1 
ATOM   1133 O O    . ASP   A 1 139 ? -0.65489 -18.75575 -5.65550  1.000 23.93690 ? 425 ASP   A O    1 
ATOM   1134 C CB   . ASP   A 1 139 ? -0.11818 -19.23371 -3.00456  1.000 24.56713 ? 425 ASP   A CB   1 
ATOM   1135 C CG   . ASP   A 1 139 ? -1.59043 -18.86530 -2.95905  1.000 27.29255 ? 425 ASP   A CG   1 
ATOM   1136 O OD1  . ASP   A 1 139 ? -2.43895 -19.76250 -3.14928  1.000 28.95519 ? 425 ASP   A OD1  1 
ATOM   1137 O OD2  . ASP   A 1 139 ? -1.89616 -17.67162 -2.75049  1.000 29.51856 ? 425 ASP   A OD2  1 
ATOM   1138 N N    . HIS   A 1 140 ? 0.50715  -20.50308 -6.44661  1.000 23.11465 ? 426 HIS   A N    1 
ATOM   1139 C CA   . HIS   A 1 140 ? 0.25703  -20.20162 -7.85850  1.000 23.58248 ? 426 HIS   A CA   1 
ATOM   1140 C C    . HIS   A 1 140 ? 0.73625  -18.81022 -8.26918  1.000 23.14621 ? 426 HIS   A C    1 
ATOM   1141 O O    . HIS   A 1 140 ? 0.15143  -18.18140 -9.15199  1.000 22.17310 ? 426 HIS   A O    1 
ATOM   1142 C CB   . HIS   A 1 140 ? -1.21614 -20.41179 -8.23826  1.000 25.25573 ? 426 HIS   A CB   1 
ATOM   1143 C CG   . HIS   A 1 140 ? -1.79020 -21.71014 -7.75788  1.000 26.33969 ? 426 HIS   A CG   1 
ATOM   1144 N ND1  . HIS   A 1 140 ? -1.04975 -22.87092 -7.68968  1.000 29.01576 ? 426 HIS   A ND1  1 
ATOM   1145 C CD2  . HIS   A 1 140 ? -3.03432 -22.03227 -7.33341  1.000 28.27482 ? 426 HIS   A CD2  1 
ATOM   1146 C CE1  . HIS   A 1 140 ? -1.81180 -23.85162 -7.23632  1.000 28.98198 ? 426 HIS   A CE1  1 
ATOM   1147 N NE2  . HIS   A 1 140 ? -3.02097 -23.36903 -7.01480  1.000 27.44397 ? 426 HIS   A NE2  1 
ATOM   1148 N N    . GLY   A 1 141 ? 1.80631  -18.31609 -7.64908  1.000 21.55456 ? 427 GLY   A N    1 
ATOM   1149 C CA   . GLY   A 1 141 ? 2.40157  -17.06315 -8.07811  1.000 21.59121 ? 427 GLY   A CA   1 
ATOM   1150 C C    . GLY   A 1 141 ? 1.72384  -15.82365 -7.55127  1.000 22.14220 ? 427 GLY   A C    1 
ATOM   1151 O O    . GLY   A 1 141 ? 1.88471  -14.74870 -8.14200  1.000 23.62318 ? 427 GLY   A O    1 
ATOM   1152 N N    . SER   A 1 142 ? 0.95971  -15.94313 -6.46838  1.000 21.90146 ? 428 SER   A N    1 
ATOM   1153 C CA   . SER   A 1 142 ? 0.27847  -14.79341 -5.89094  1.000 23.22109 ? 428 SER   A CA   1 
ATOM   1154 C C    . SER   A 1 142 ? 1.30168  -13.79901 -5.34490  1.000 21.56781 ? 428 SER   A C    1 
ATOM   1155 O O    . SER   A 1 142 ? 2.36976  -14.17984 -4.85875  1.000 23.55173 ? 428 SER   A O    1 
ATOM   1156 C CB   . SER   A 1 142 ? -0.69371 -15.24932 -4.79743  1.000 24.35897 ? 428 SER   A CB   1 
ATOM   1157 O OG   . SER   A 1 142 ? -0.03505 -15.87945 -3.70958  1.000 25.69840 ? 428 SER   A OG   1 
ATOM   1158 N N    . LEU   A 1 143 ? 0.97863  -12.50865 -5.45476  1.000 23.14598 ? 429 LEU   A N    1 
ATOM   1159 C CA   . LEU   A 1 143 ? 1.87786  -11.45621 -4.98516  1.000 22.18931 ? 429 LEU   A CA   1 
ATOM   1160 C C    . LEU   A 1 143 ? 1.88077  -11.41486 -3.46207  1.000 22.41062 ? 429 LEU   A C    1 
ATOM   1161 O O    . LEU   A 1 143 ? 0.83237  -11.21304 -2.83610  1.000 23.33928 ? 429 LEU   A O    1 
ATOM   1162 C CB   . LEU   A 1 143 ? 1.42631  -10.10393 -5.53748  1.000 21.80352 ? 429 LEU   A CB   1 
ATOM   1163 C CG   . LEU   A 1 143 ? 2.30101  -8.89961  -5.16411  1.000 22.76979 ? 429 LEU   A CG   1 
ATOM   1164 C CD1  . LEU   A 1 143 ? 3.68101  -9.02240  -5.76022  1.000 23.31446 ? 429 LEU   A CD1  1 
ATOM   1165 C CD2  . LEU   A 1 143 ? 1.63127  -7.61035  -5.64791  1.000 23.92541 ? 429 LEU   A CD2  1 
ATOM   1166 N N    . ILE   A 1 144 ? 3.06486  -11.60471 -2.87233  1.000 21.13939 ? 430 ILE   A N    1 
ATOM   1167 C CA   . ILE   A 1 144 ? 3.25037  -11.44983 -1.43229  1.000 21.19723 ? 430 ILE   A CA   1 
ATOM   1168 C C    . ILE   A 1 144 ? 3.35771  -9.97393  -1.06633  1.000 20.05794 ? 430 ILE   A C    1 
ATOM   1169 O O    . ILE   A 1 144 ? 2.65417  -9.48810  -0.16797  1.000 23.50184 ? 430 ILE   A O    1 
ATOM   1170 C CB   . ILE   A 1 144 ? 4.49866  -12.23704 -0.98690  1.000 20.18678 ? 430 ILE   A CB   1 
ATOM   1171 C CG1  . ILE   A 1 144 ? 4.29985  -13.73833 -1.23547  1.000 20.37538 ? 430 ILE   A CG1  1 
ATOM   1172 C CG2  . ILE   A 1 144 ? 4.84632  -11.92588 0.48898   1.000 21.43989 ? 430 ILE   A CG2  1 
ATOM   1173 C CD1  . ILE   A 1 144 ? 5.60272  -14.55506 -1.07655  1.000 20.43805 ? 430 ILE   A CD1  1 
ATOM   1174 N N    . TYR   A 1 145 ? 4.23735  -9.24816  -1.75230  1.000 21.04508 ? 431 TYR   A N    1 
ATOM   1175 C CA   . TYR   A 1 145 ? 4.50131  -7.84833  -1.44719  1.000 20.80535 ? 431 TYR   A CA   1 
ATOM   1176 C C    . TYR   A 1 145 ? 5.29053  -7.22237  -2.58815  1.000 20.27234 ? 431 TYR   A C    1 
ATOM   1177 O O    . TYR   A 1 145 ? 6.10258  -7.89255  -3.23725  1.000 20.19025 ? 431 TYR   A O    1 
ATOM   1178 C CB   . TYR   A 1 145 ? 5.29440  -7.72914  -0.13680  1.000 19.87703 ? 431 TYR   A CB   1 
ATOM   1179 C CG   . TYR   A 1 145 ? 5.36534  -6.31081  0.35275   1.000 22.05309 ? 431 TYR   A CG   1 
ATOM   1180 C CD1  . TYR   A 1 145 ? 4.31208  -5.76323  1.06985   1.000 22.33897 ? 431 TYR   A CD1  1 
ATOM   1181 C CD2  . TYR   A 1 145 ? 6.47012  -5.51354  0.07850   1.000 21.50097 ? 431 TYR   A CD2  1 
ATOM   1182 C CE1  . TYR   A 1 145 ? 4.35071  -4.45467  1.51053   1.000 23.34531 ? 431 TYR   A CE1  1 
ATOM   1183 C CE2  . TYR   A 1 145 ? 6.51647  -4.18637  0.51169   1.000 22.70542 ? 431 TYR   A CE2  1 
ATOM   1184 C CZ   . TYR   A 1 145 ? 5.44685  -3.67548  1.22509   1.000 22.75351 ? 431 TYR   A CZ   1 
ATOM   1185 O OH   . TYR   A 1 145 ? 5.46040  -2.37194  1.66469   1.000 27.48884 ? 431 TYR   A OH   1 
ATOM   1186 N N    . SER   A 1 146 ? 5.07805  -5.91915  -2.80404  1.000 20.57629 ? 432 SER   A N    1 
ATOM   1187 C CA   . SER   A 1 146 ? 5.86202  -5.14524  -3.75652  1.000 22.33569 ? 432 SER   A CA   1 
ATOM   1188 C C    . SER   A 1 146 ? 6.30906  -3.84899  -3.10514  1.000 23.10016 ? 432 SER   A C    1 
ATOM   1189 O O    . SER   A 1 146 ? 5.49012  -3.14399  -2.50096  1.000 25.28520 ? 432 SER   A O    1 
ATOM   1190 C CB   . SER   A 1 146 ? 5.04934  -4.81989  -5.01756  1.000 25.06524 ? 432 SER   A CB   1 
ATOM   1191 O OG   . SER   A 1 146 ? 5.89893  -4.39418  -6.06760  1.000 29.06170 ? 432 SER   A OG   1 
ATOM   1192 N N    . PHE   A 1 147 ? 7.60893  -3.56236  -3.20683  1.000 24.26941 ? 433 PHE   A N    1 
ATOM   1193 C CA   . PHE   A 1 147 ? 8.15790  -2.24336  -2.90817  1.000 24.26857 ? 433 PHE   A CA   1 
ATOM   1194 C C    . PHE   A 1 147 ? 8.15619  -1.43938  -4.19809  1.000 25.11146 ? 433 PHE   A C    1 
ATOM   1195 O O    . PHE   A 1 147 ? 8.68010  -1.89673  -5.21567  1.000 25.12264 ? 433 PHE   A O    1 
ATOM   1196 C CB   . PHE   A 1 147 ? 9.61070  -2.35257  -2.43434  1.000 23.11570 ? 433 PHE   A CB   1 
ATOM   1197 C CG   . PHE   A 1 147 ? 9.78598  -3.01580  -1.09531  1.000 20.95626 ? 433 PHE   A CG   1 
ATOM   1198 C CD1  . PHE   A 1 147 ? 10.01624 -4.38200  -1.00550  1.000 21.40081 ? 433 PHE   A CD1  1 
ATOM   1199 C CD2  . PHE   A 1 147 ? 9.81358  -2.26207  0.06743   1.000 21.03079 ? 433 PHE   A CD2  1 
ATOM   1200 C CE1  . PHE   A 1 147 ? 10.20386 -4.99225  0.22609   1.000 21.82510 ? 433 PHE   A CE1  1 
ATOM   1201 C CE2  . PHE   A 1 147 ? 10.00426 -2.85881  1.30701   1.000 22.44483 ? 433 PHE   A CE2  1 
ATOM   1202 C CZ   . PHE   A 1 147 ? 10.20672 -4.23116  1.39154   1.000 20.54005 ? 433 PHE   A CZ   1 
ATOM   1203 N N    . SER   A 1 148 ? 7.59502  -0.23449  -4.15114  1.000 28.66241 ? 434 SER   A N    1 
ATOM   1204 C CA   . SER   A 1 148 ? 7.52537  0.62244   -5.32304  1.000 31.63748 ? 434 SER   A CA   1 
ATOM   1205 C C    . SER   A 1 148 ? 8.16479  1.96972   -5.01947  1.000 32.40329 ? 434 SER   A C    1 
ATOM   1206 O O    . SER   A 1 148 ? 8.40361  2.31704   -3.85937  1.000 32.20646 ? 434 SER   A O    1 
ATOM   1207 C CB   . SER   A 1 148 ? 6.07683  0.81069   -5.78883  1.000 32.89893 ? 434 SER   A CB   1 
ATOM   1208 O OG   . SER   A 1 148 ? 5.26767  1.30018   -4.73594  1.000 36.44452 ? 434 SER   A OG   1 
ATOM   1209 N N    . GLU   A 1 149 ? 8.44885  2.71811   -6.08935  1.000 33.41329 ? 435 GLU   A N    1 
ATOM   1210 C CA   . GLU   A 1 149 ? 9.11852  4.02082   -5.99800  1.000 35.33577 ? 435 GLU   A CA   1 
ATOM   1211 C C    . GLU   A 1 149 ? 10.42380 3.93121   -5.21080  1.000 35.27927 ? 435 GLU   A C    1 
ATOM   1212 O O    . GLU   A 1 149 ? 10.72067 4.76798   -4.35313  1.000 35.05332 ? 435 GLU   A O    1 
ATOM   1213 C CB   . GLU   A 1 149 ? 8.19512  5.10611   -5.44314  1.000 39.74741 ? 435 GLU   A CB   1 
ATOM   1214 C CG   . GLU   A 1 149 ? 6.90740  5.27437   -6.22771  1.000 42.00199 ? 435 GLU   A CG   1 
ATOM   1215 C CD   . GLU   A 1 149 ? 5.68232  5.19495   -5.34008  1.000 46.77536 ? 435 GLU   A CD   1 
ATOM   1216 O OE1  . GLU   A 1 149 ? 4.55137  5.22423   -5.87539  1.000 51.00596 ? 435 GLU   A OE1  1 
ATOM   1217 O OE2  . GLU   A 1 149 ? 5.85189  5.10567   -4.10368  1.000 48.30478 ? 435 GLU   A OE2  1 
ATOM   1218 N N    . CYS   A 1 150 ? 11.21840 2.90286   -5.51687  1.000 32.88155 ? 436 CYS   A N    1 
ATOM   1219 C CA   . CYS   A 1 150 ? 12.47852 2.69516   -4.81414  1.000 32.31570 ? 436 CYS   A CA   1 
ATOM   1220 C C    . CYS   A 1 150 ? 13.55625 3.68015   -5.25066  1.000 33.78513 ? 436 CYS   A C    1 
ATOM   1221 O O    . CYS   A 1 150 ? 14.52533 3.88701   -4.51089  1.000 33.42861 ? 436 CYS   A O    1 
ATOM   1222 C CB   . CYS   A 1 150 ? 12.95257 1.25533   -5.00965  1.000 30.52516 ? 436 CYS   A CB   1 
ATOM   1223 S SG   . CYS   A 1 150 ? 11.86064 0.00484   -4.27138  1.000 29.22025 ? 436 CYS   A SG   1 
ATOM   1224 N N    . ALA   A 1 151 ? 13.41611 4.27916   -6.43297  1.000 33.47225 ? 437 ALA   A N    1 
ATOM   1225 C CA   . ALA   A 1 151 ? 14.30356 5.35067   -6.89153  1.000 35.22216 ? 437 ALA   A CA   1 
ATOM   1226 C C    . ALA   A 1 151 ? 15.77407 4.94491   -6.82087  1.000 34.59948 ? 437 ALA   A C    1 
ATOM   1227 O O    . ALA   A 1 151 ? 16.62351 5.66866   -6.29732  1.000 35.37720 ? 437 ALA   A O    1 
ATOM   1228 C CB   . ALA   A 1 151 ? 14.04374 6.65468   -6.13585  1.000 37.06077 ? 437 ALA   A CB   1 
ATOM   1229 N N    . PHE   A 1 152 ? 16.07502 3.77146   -7.36683  1.000 33.74407 ? 438 PHE   A N    1 
ATOM   1230 C CA   . PHE   A 1 152 ? 17.45110 3.30141   -7.37967  1.000 33.06193 ? 438 PHE   A CA   1 
ATOM   1231 C C    . PHE   A 1 152 ? 18.33279 4.28628   -8.13516  1.000 35.15633 ? 438 PHE   A C    1 
ATOM   1232 O O    . PHE   A 1 152 ? 17.91778 4.88258   -9.13445  1.000 37.62656 ? 438 PHE   A O    1 
ATOM   1233 C CB   . PHE   A 1 152 ? 17.54424 1.93275   -8.05646  1.000 31.71376 ? 438 PHE   A CB   1 
ATOM   1234 C CG   . PHE   A 1 152 ? 16.60599 0.89846   -7.49334  1.000 29.11523 ? 438 PHE   A CG   1 
ATOM   1235 C CD1  . PHE   A 1 152 ? 16.62888 0.57326   -6.14670  1.000 27.96783 ? 438 PHE   A CD1  1 
ATOM   1236 C CD2  . PHE   A 1 152 ? 15.73560 0.21004   -8.32851  1.000 28.84706 ? 438 PHE   A CD2  1 
ATOM   1237 C CE1  . PHE   A 1 152 ? 15.77216 -0.39217  -5.63639  1.000 26.92874 ? 438 PHE   A CE1  1 
ATOM   1238 C CE2  . PHE   A 1 152 ? 14.88176 -0.75716  -7.82525  1.000 28.03741 ? 438 PHE   A CE2  1 
ATOM   1239 C CZ   . PHE   A 1 152 ? 14.90138 -1.06125  -6.47834  1.000 26.97316 ? 438 PHE   A CZ   1 
ATOM   1240 N N    . THR   A 1 153 ? 19.55800 4.45399   -7.64430  1.000 34.70122 ? 439 THR   A N    1 
ATOM   1241 C CA   . THR   A 1 153 ? 20.57998 5.22529   -8.33893  1.000 35.41077 ? 439 THR   A CA   1 
ATOM   1242 C C    . THR   A 1 153 ? 21.89618 4.48584   -8.52194  1.000 34.64858 ? 439 THR   A C    1 
ATOM   1243 O O    . THR   A 1 153 ? 22.62797 4.80131   -9.46926  1.000 37.15172 ? 439 THR   A O    1 
ATOM   1244 C CB   . THR   A 1 153 ? 20.83093 6.56692   -7.62931  1.000 36.65517 ? 439 THR   A CB   1 
ATOM   1245 O OG1  . THR   A 1 153 ? 21.36150 6.32835   -6.31737  1.000 39.38778 ? 439 THR   A OG1  1 
ATOM   1246 C CG2  . THR   A 1 153 ? 19.54128 7.37250   -7.53110  1.000 36.12765 ? 439 THR   A CG2  1 
ATOM   1247 N N    . GLY   A 1 154 ? 22.21241 3.50750   -7.67843  1.000 31.72188 ? 440 GLY   A N    1 
ATOM   1248 C CA   . GLY   A 1 154 ? 23.43192 2.74960   -7.81127  1.000 30.98413 ? 440 GLY   A CA   1 
ATOM   1249 C C    . GLY   A 1 154 ? 23.17581 1.29145   -8.14042  1.000 28.43469 ? 440 GLY   A C    1 
ATOM   1250 O O    . GLY   A 1 154 ? 22.04093 0.87807   -8.40572  1.000 29.48799 ? 440 GLY   A O    1 
ATOM   1251 N N    . PRO   A 1 155 ? 24.23388 0.48359   -8.13134  1.000 29.90973 ? 441 PRO   A N    1 
ATOM   1252 C CA   . PRO   A 1 155 ? 24.07816 -0.94133  -8.44686  1.000 28.03182 ? 441 PRO   A CA   1 
ATOM   1253 C C    . PRO   A 1 155 ? 23.40761 -1.69483  -7.30713  1.000 25.79370 ? 441 PRO   A C    1 
ATOM   1254 O O    . PRO   A 1 155 ? 23.56976 -1.36997  -6.12886  1.000 24.90822 ? 441 PRO   A O    1 
ATOM   1255 C CB   . PRO   A 1 155 ? 25.51795 -1.42797  -8.66696  1.000 29.67644 ? 441 PRO   A CB   1 
ATOM   1256 C CG   . PRO   A 1 155 ? 26.41524 -0.21566  -8.48247  1.000 31.36598 ? 441 PRO   A CG   1 
ATOM   1257 C CD   . PRO   A 1 155 ? 25.61993 0.83752   -7.79282  1.000 29.83326 ? 441 PRO   A CD   1 
ATOM   1258 N N    . LEU   A 1 156 ? 22.63287 -2.70980  -7.67899  1.000 24.93921 ? 442 LEU   A N    1 
ATOM   1259 C CA   . LEU   A 1 156 ? 21.88515 -3.51954  -6.72907  1.000 23.40585 ? 442 LEU   A CA   1 
ATOM   1260 C C    . LEU   A 1 156 ? 22.40375 -4.95119  -6.77069  1.000 22.94826 ? 442 LEU   A C    1 
ATOM   1261 O O    . LEU   A 1 156 ? 23.01971 -5.38722  -7.75221  1.000 23.97831 ? 442 LEU   A O    1 
ATOM   1262 C CB   . LEU   A 1 156 ? 20.38759 -3.50984  -7.06013  1.000 23.87936 ? 442 LEU   A CB   1 
ATOM   1263 C CG   . LEU   A 1 156 ? 19.69560 -2.13901  -7.08626  1.000 25.35852 ? 442 LEU   A CG   1 
ATOM   1264 C CD1  . LEU   A 1 156 ? 18.22290 -2.29981  -7.40591  1.000 25.82794 ? 442 LEU   A CD1  1 
ATOM   1265 C CD2  . LEU   A 1 156 ? 19.87934 -1.40434  -5.76743  1.000 27.20054 ? 442 LEU   A CD2  1 
ATOM   1266 N N    . ARG   A 1 157 ? 22.13680 -5.68333  -5.68368  1.000 20.62631 ? 443 ARG   A N    1 
ATOM   1267 C CA   . ARG   A 1 157 ? 22.63284 -7.03723  -5.47523  1.000 20.88891 ? 443 ARG   A CA   1 
ATOM   1268 C C    . ARG   A 1 157 ? 21.51433 -7.90407  -4.91767  1.000 18.64397 ? 443 ARG   A C    1 
ATOM   1269 O O    . ARG   A 1 157 ? 20.72737 -7.44003  -4.07691  1.000 18.59883 ? 443 ARG   A O    1 
ATOM   1270 C CB   . ARG   A 1 157 ? 23.78694 -7.04776  -4.45946  1.000 21.16088 ? 443 ARG   A CB   1 
ATOM   1271 C CG   . ARG   A 1 157 ? 24.85769 -5.99652  -4.72539  1.000 22.37049 ? 443 ARG   A CG   1 
ATOM   1272 C CD   . ARG   A 1 157 ? 25.68664 -6.40067  -5.93745  1.000 22.30056 ? 443 ARG   A CD   1 
ATOM   1273 N NE   . ARG   A 1 157 ? 26.39637 -7.66053  -5.73431  1.000 23.65233 ? 443 ARG   A NE   1 
ATOM   1274 C CZ   . ARG   A 1 157 ? 27.51554 -7.79152  -5.03568  1.000 23.96783 ? 443 ARG   A CZ   1 
ATOM   1275 N NH1  . ARG   A 1 157 ? 28.13091 -6.74112  -4.50954  1.000 24.77831 ? 443 ARG   A NH1  1 
ATOM   1276 N NH2  . ARG   A 1 157 ? 28.04331 -9.00310  -4.87739  1.000 23.84180 ? 443 ARG   A NH2  1 
ATOM   1277 N N    . PRO   A 1 158 ? 21.43587 -9.16690  -5.33398  1.000 18.12082 ? 444 PRO   A N    1 
ATOM   1278 C CA   . PRO   A 1 158 ? 20.57428 -10.12135 -4.62225  1.000 17.45156 ? 444 PRO   A CA   1 
ATOM   1279 C C    . PRO   A 1 158 ? 21.05809 -10.30726 -3.18565  1.000 17.34105 ? 444 PRO   A C    1 
ATOM   1280 O O    . PRO   A 1 158 ? 22.26020 -10.36942 -2.92080  1.000 17.70698 ? 444 PRO   A O    1 
ATOM   1281 C CB   . PRO   A 1 158 ? 20.71893 -11.40977 -5.44867  1.000 18.70377 ? 444 PRO   A CB   1 
ATOM   1282 C CG   . PRO   A 1 158 ? 21.26050 -10.93565 -6.80528  1.000 20.44693 ? 444 PRO   A CG   1 
ATOM   1283 C CD   . PRO   A 1 158 ? 22.16972 -9.80035  -6.43857  1.000 20.06534 ? 444 PRO   A CD   1 
ATOM   1284 N N    . PHE   A 1 159 ? 20.11025 -10.37939 -2.24920  1.000 16.48382 ? 445 PHE   A N    1 
ATOM   1285 C CA   . PHE   A 1 159 ? 20.44118 -10.45985 -0.82405  1.000 16.39826 ? 445 PHE   A CA   1 
ATOM   1286 C C    . PHE   A 1 159 ? 19.75541 -11.67257 -0.20382  1.000 16.59713 ? 445 PHE   A C    1 
ATOM   1287 O O    . PHE   A 1 159 ? 18.57093 -11.92776 -0.46484  1.000 16.85697 ? 445 PHE   A O    1 
ATOM   1288 C CB   . PHE   A 1 159 ? 19.95981 -9.16997  -0.11143  1.000 17.53492 ? 445 PHE   A CB   1 
ATOM   1289 C CG   . PHE   A 1 159 ? 20.19021 -9.17573  1.38146   1.000 16.42908 ? 445 PHE   A CG   1 
ATOM   1290 C CD1  . PHE   A 1 159 ? 21.42795 -8.79490  1.90721   1.000 18.09683 ? 445 PHE   A CD1  1 
ATOM   1291 C CD2  . PHE   A 1 159 ? 19.18860 -9.59996  2.25007   1.000 15.76709 ? 445 PHE   A CD2  1 
ATOM   1292 C CE1  . PHE   A 1 159 ? 21.65808 -8.81541  3.29711   1.000 17.46121 ? 445 PHE   A CE1  1 
ATOM   1293 C CE2  . PHE   A 1 159 ? 19.40882 -9.63024  3.63453   1.000 17.10274 ? 445 PHE   A CE2  1 
ATOM   1294 C CZ   . PHE   A 1 159 ? 20.64324 -9.22521  4.15783   1.000 16.16543 ? 445 PHE   A CZ   1 
ATOM   1295 N N    . PHE   A 1 160 ? 20.49643 -12.42432 0.61998   1.000 16.20172 ? 446 PHE   A N    1 
ATOM   1296 C CA   . PHE   A 1 160 ? 19.97823 -13.65642 1.21130   1.000 15.00255 ? 446 PHE   A CA   1 
ATOM   1297 C C    . PHE   A 1 160 ? 20.44008 -13.81203 2.65285   1.000 17.17303 ? 446 PHE   A C    1 
ATOM   1298 O O    . PHE   A 1 160 ? 21.58863 -13.51388 2.97559   1.000 16.20531 ? 446 PHE   A O    1 
ATOM   1299 C CB   . PHE   A 1 160 ? 20.50786 -14.91107 0.48188   1.000 17.89673 ? 446 PHE   A CB   1 
ATOM   1300 C CG   . PHE   A 1 160 ? 20.36647 -14.86713 -1.01749  1.000 16.91682 ? 446 PHE   A CG   1 
ATOM   1301 C CD1  . PHE   A 1 160 ? 21.32234 -14.25326 -1.81453  1.000 17.57496 ? 446 PHE   A CD1  1 
ATOM   1302 C CD2  . PHE   A 1 160 ? 19.27998 -15.46677 -1.62786  1.000 17.14185 ? 446 PHE   A CD2  1 
ATOM   1303 C CE1  . PHE   A 1 160 ? 21.18448 -14.22600 -3.21381  1.000 17.52768 ? 446 PHE   A CE1  1 
ATOM   1304 C CE2  . PHE   A 1 160 ? 19.12077 -15.43221 -3.01165  1.000 17.21234 ? 446 PHE   A CE2  1 
ATOM   1305 C CZ   . PHE   A 1 160 ? 20.07026 -14.81175 -3.80603  1.000 17.36332 ? 446 PHE   A CZ   1 
ATOM   1306 N N    . SER   A 1 161 ? 19.56119 -14.36720 3.49570   1.000 15.60259 ? 447 SER   A N    1 
ATOM   1307 C CA   . SER   A 1 161 ? 19.97574 -14.92636 4.80713   1.000 17.01002 ? 447 SER   A CA   1 
ATOM   1308 C C    . SER   A 1 161 ? 19.20657 -16.21673 5.06170   1.000 17.60991 ? 447 SER   A C    1 
ATOM   1309 O O    . SER   A 1 161 ? 17.96718 -16.21166 5.00327   1.000 16.40471 ? 447 SER   A O    1 
ATOM   1310 C CB   . SER   A 1 161 ? 19.75992 -13.99194 5.99453   1.000 18.01143 ? 447 SER   A CB   1 
ATOM   1311 O OG   . SER   A 1 161 ? 19.95777 -14.73893 7.19677   1.000 17.89158 ? 447 SER   A OG   1 
ATOM   1312 N N    . PRO   A 1 162 ? 19.88296 -17.32150 5.38203   1.000 18.51334 ? 448 PRO   A N    1 
ATOM   1313 C CA   . PRO   A 1 162 ? 19.17518 -18.54199 5.77466   1.000 19.54566 ? 448 PRO   A CA   1 
ATOM   1314 C C    . PRO   A 1 162 ? 18.74497 -18.57051 7.23315   1.000 19.59946 ? 448 PRO   A C    1 
ATOM   1315 O O    . PRO   A 1 162 ? 18.33669 -19.62845 7.71853   1.000 20.34525 ? 448 PRO   A O    1 
ATOM   1316 C CB   . PRO   A 1 162 ? 20.22087 -19.63073 5.50305   1.000 19.97614 ? 448 PRO   A CB   1 
ATOM   1317 C CG   . PRO   A 1 162 ? 21.52299 -18.94427 5.81901   1.000 20.12611 ? 448 PRO   A CG   1 
ATOM   1318 C CD   . PRO   A 1 162 ? 21.33373 -17.54920 5.22469   1.000 19.28972 ? 448 PRO   A CD   1 
ATOM   1319 N N    . GLY   A 1 163 ? 18.81472 -17.45033 7.92568   1.000 19.34263 ? 449 GLY   A N    1 
ATOM   1320 C CA   . GLY   A 1 163 ? 18.30182 -17.34788 9.27209   1.000 21.46714 ? 449 GLY   A CA   1 
ATOM   1321 C C    . GLY   A 1 163 ? 19.43913 -17.25753 10.26034  1.000 22.59947 ? 449 GLY   A C    1 
ATOM   1322 O O    . GLY   A 1 163 ? 20.59516 -17.01804 9.90215   1.000 25.09081 ? 449 GLY   A O    1 
ATOM   1323 N N    . PHE   A 1 164 ? 19.08459 -17.45128 11.52627  1.000 24.16509 ? 450 PHE   A N    1 
ATOM   1324 C CA   . PHE   A 1 164 ? 20.02154 -17.34683 12.62547  1.000 29.91469 ? 450 PHE   A CA   1 
ATOM   1325 C C    . PHE   A 1 164 ? 20.25073 -18.73376 13.19886  1.000 32.33474 ? 450 PHE   A C    1 
ATOM   1326 O O    . PHE   A 1 164 ? 19.32035 -19.53980 13.29167  1.000 29.48882 ? 450 PHE   A O    1 
ATOM   1327 C CB   . PHE   A 1 164 ? 19.43789 -16.44473 13.70435  1.000 27.69044 ? 450 PHE   A CB   1 
ATOM   1328 C CG   . PHE   A 1 164 ? 19.49577 -14.99682 13.35011  1.000 27.86626 ? 450 PHE   A CG   1 
ATOM   1329 C CD1  . PHE   A 1 164 ? 20.69640 -14.29919 13.37584  1.000 27.98679 ? 450 PHE   A CD1  1 
ATOM   1330 C CD2  . PHE   A 1 164 ? 18.34290 -14.33558 12.96597  1.000 26.05559 ? 450 PHE   A CD2  1 
ATOM   1331 C CE1  . PHE   A 1 164 ? 20.74021 -12.95550 13.03243  1.000 28.08175 ? 450 PHE   A CE1  1 
ATOM   1332 C CE2  . PHE   A 1 164 ? 18.37299 -13.00068 12.62730  1.000 26.60189 ? 450 PHE   A CE2  1 
ATOM   1333 C CZ   . PHE   A 1 164 ? 19.57400 -12.30445 12.66199  1.000 28.40396 ? 450 PHE   A CZ   1 
ATOM   1334 N N    . ASN   A 1 165 ? 21.49758 -19.00886 13.56335  1.000 35.69732 ? 451 ASN   A N    1 
ATOM   1335 C CA   . ASN   A 1 165 ? 21.81503 -20.23185 14.28024  1.000 39.23639 ? 451 ASN   A CA   1 
ATOM   1336 C C    . ASN   A 1 165 ? 20.89266 -20.37269 15.48179  1.000 42.19217 ? 451 ASN   A C    1 
ATOM   1337 O O    . ASN   A 1 165 ? 20.73162 -19.44150 16.27636  1.000 42.10037 ? 451 ASN   A O    1 
ATOM   1338 C CB   . ASN   A 1 165 ? 23.27484 -20.16975 14.72029  1.000 43.91804 ? 451 ASN   A CB   1 
ATOM   1339 C CG   . ASN   A 1 165 ? 23.96309 -18.90228 14.23651  1.000 45.06753 ? 451 ASN   A CG   1 
ATOM   1340 O OD1  . ASN   A 1 165 ? 23.66517 -17.79846 14.70367  1.000 46.04638 ? 451 ASN   A OD1  1 
ATOM   1341 N ND2  . ASN   A 1 165 ? 24.87378 -19.05299 13.27787  1.000 47.01543 ? 451 ASN   A ND2  1 
ATOM   1342 N N    . ASP   A 1 166 ? 20.26487 -21.54128 15.59064  1.000 42.75546 ? 452 ASP   A N    1 
ATOM   1343 C CA   . ASP   A 1 166 ? 19.23321 -21.77246 16.59285  1.000 44.30879 ? 452 ASP   A CA   1 
ATOM   1344 C C    . ASP   A 1 166 ? 19.39123 -23.14667 17.23174  1.000 46.22495 ? 452 ASP   A C    1 
ATOM   1345 O O    . ASP   A 1 166 ? 18.40785 -23.71048 17.72792  1.000 49.21560 ? 452 ASP   A O    1 
ATOM   1346 C CB   . ASP   A 1 166 ? 17.85327 -21.64578 15.92865  1.000 42.86965 ? 452 ASP   A CB   1 
ATOM   1347 C CG   . ASP   A 1 166 ? 16.70539 -21.77298 16.91215  1.000 46.59816 ? 452 ASP   A CG   1 
ATOM   1348 O OD1  . ASP   A 1 166 ? 16.77250 -21.16741 18.00404  1.000 49.68284 ? 452 ASP   A OD1  1 
ATOM   1349 O OD2  . ASP   A 1 166 ? 15.72921 -22.48106 16.58280  1.000 45.33213 ? 452 ASP   A OD2  1 
ATOM   1350 N N    . GLY   A 1 167 ? 20.60128 -23.69677 17.24276  1.000 46.04783 ? 453 GLY   A N    1 
ATOM   1351 C CA   . GLY   A 1 167 ? 20.73401 -25.12606 17.41728  1.000 47.15658 ? 453 GLY   A CA   1 
ATOM   1352 C C    . GLY   A 1 167 ? 20.03606 -25.78265 16.24477  1.000 45.58229 ? 453 GLY   A C    1 
ATOM   1353 O O    . GLY   A 1 167 ? 18.86878 -25.47975 15.97905  1.000 46.44525 ? 453 GLY   A O    1 
ATOM   1354 N N    . GLY   A 1 168 ? 20.73663 -26.66064 15.52735  1.000 43.96578 ? 454 GLY   A N    1 
ATOM   1355 C CA   . GLY   A 1 168 ? 20.28986 -27.25350 14.27324  1.000 40.96192 ? 454 GLY   A CA   1 
ATOM   1356 C C    . GLY   A 1 168 ? 18.81868 -27.23617 13.88446  1.000 39.42028 ? 454 GLY   A C    1 
ATOM   1357 O O    . GLY   A 1 168 ? 18.39398 -28.05273 13.06086  1.000 38.95454 ? 454 GLY   A O    1 
ATOM   1358 N N    . LYS   A 1 169 ? 18.03277 -26.31020 14.43348  1.000 39.28646 ? 455 LYS   A N    1 
ATOM   1359 C CA   . LYS   A 1 169 ? 16.60930 -26.22045 14.13444  1.000 38.27674 ? 455 LYS   A CA   1 
ATOM   1360 C C    . LYS   A 1 169 ? 16.32496 -25.46237 12.84334  1.000 34.94285 ? 455 LYS   A C    1 
ATOM   1361 O O    . LYS   A 1 169 ? 15.15284 -25.27335 12.49582  1.000 36.12313 ? 455 LYS   A O    1 
ATOM   1362 C CB   . LYS   A 1 169 ? 15.86483 -25.55347 15.29705  1.000 41.55918 ? 455 LYS   A CB   1 
ATOM   1363 C CG   . LYS   A 1 169 ? 14.35887 -25.78834 15.28088  1.000 42.82784 ? 455 LYS   A CG   1 
ATOM   1364 C CD   . LYS   A 1 169 ? 13.79471 -25.97092 16.68677  1.000 44.06729 ? 455 LYS   A CD   1 
ATOM   1365 C CE   . LYS   A 1 169 ? 13.95299 -24.69916 17.51347  1.000 47.37629 ? 455 LYS   A CE   1 
ATOM   1366 N NZ   . LYS   A 1 169 ? 12.99891 -23.62376 17.07565  1.000 49.09494 ? 455 LYS   A NZ   1 
ATOM   1367 N N    . ASN   A 1 170 ? 17.35588 -25.02535 12.12495  1.000 30.18192 ? 456 ASN   A N    1 
ATOM   1368 C CA   . ASN   A 1 170 ? 17.14212 -24.26002 10.90155  1.000 28.07200 ? 456 ASN   A CA   1 
ATOM   1369 C C    . ASN   A 1 170 ? 18.28370 -24.49691 9.92259   1.000 27.40694 ? 456 ASN   A C    1 
ATOM   1370 O O    . ASN   A 1 170 ? 18.74978 -23.56559 9.25824   1.000 25.46616 ? 456 ASN   A O    1 
ATOM   1371 C CB   . ASN   A 1 170 ? 16.97361 -22.76621 11.19931  1.000 27.50456 ? 456 ASN   A CB   1 
ATOM   1372 C CG   . ASN   A 1 170 ? 16.35304 -21.99215 10.03727  1.000 25.71963 ? 456 ASN   A CG   1 
ATOM   1373 O OD1  . ASN   A 1 170 ? 15.78866 -22.57232 9.10804   1.000 27.01485 ? 456 ASN   A OD1  1 
ATOM   1374 N ND2  . ASN   A 1 170 ? 16.44075 -20.66838 10.10544  1.000 26.20691 ? 456 ASN   A ND2  1 
ATOM   1375 N N    . THR   A 1 171 ? 18.74313 -25.74999 9.81480   1.000 25.63573 ? 457 THR   A N    1 
ATOM   1376 C CA   . THR   A 1 171 ? 19.85464 -26.08435 8.92774   1.000 25.69181 ? 457 THR   A CA   1 
ATOM   1377 C C    . THR   A 1 171 ? 19.43709 -26.34484 7.48625   1.000 23.35693 ? 457 THR   A C    1 
ATOM   1378 O O    . THR   A 1 171 ? 20.31374 -26.55391 6.64665   1.000 23.47620 ? 457 THR   A O    1 
ATOM   1379 C CB   . THR   A 1 171 ? 20.59748 -27.31692 9.43754   1.000 26.94362 ? 457 THR   A CB   1 
ATOM   1380 O OG1  . THR   A 1 171 ? 19.63860 -28.34171 9.71726   1.000 29.25328 ? 457 THR   A OG1  1 
ATOM   1381 C CG2  . THR   A 1 171 ? 21.41112 -26.98667 10.68229  1.000 29.32651 ? 457 THR   A CG2  1 
ATOM   1382 N N    . ALA   A 1 172 ? 18.14492 -26.34539 7.17006   1.000 23.60979 ? 458 ALA   A N    1 
ATOM   1383 C CA   . ALA   A 1 172 ? 17.74602 -26.53502 5.78570   1.000 22.19992 ? 458 ALA   A CA   1 
ATOM   1384 C C    . ALA   A 1 172 ? 18.30758 -25.39523 4.93657   1.000 21.54037 ? 458 ALA   A C    1 
ATOM   1385 O O    . ALA   A 1 172 ? 18.39076 -24.25576 5.40826   1.000 20.66793 ? 458 ALA   A O    1 
ATOM   1386 C CB   . ALA   A 1 172 ? 16.22227 -26.56098 5.67876   1.000 23.13928 ? 458 ALA   A CB   1 
ATOM   1387 N N    . PRO   A 1 173 ? 18.72536 -25.66453 3.70441   1.000 20.97810 ? 459 PRO   A N    1 
ATOM   1388 C CA   . PRO   A 1 173 ? 19.35616 -24.62175 2.89266   1.000 20.70768 ? 459 PRO   A CA   1 
ATOM   1389 C C    . PRO   A 1 173 ? 18.31979 -23.69720 2.26725   1.000 19.84357 ? 459 PRO   A C    1 
ATOM   1390 O O    . PRO   A 1 173 ? 17.12798 -24.01585 2.16074   1.000 19.53451 ? 459 PRO   A O    1 
ATOM   1391 C CB   . PRO   A 1 173 ? 20.06974 -25.43518 1.80353   1.000 22.24697 ? 459 PRO   A CB   1 
ATOM   1392 C CG   . PRO   A 1 173 ? 19.14506 -26.60409 1.60929   1.000 23.30275 ? 459 PRO   A CG   1 
ATOM   1393 C CD   . PRO   A 1 173 ? 18.67456 -26.95996 2.99549   1.000 21.50465 ? 459 PRO   A CD   1 
ATOM   1394 N N    . LEU   A 1 174 ? 18.79583 -22.51108 1.88756   1.000 19.41934 ? 460 LEU   A N    1 
ATOM   1395 C CA   . LEU   A 1 174 ? 18.17396 -21.77543 0.79280   1.000 17.48695 ? 460 LEU   A CA   1 
ATOM   1396 C C    . LEU   A 1 174 ? 18.75873 -22.31390 -0.50009  1.000 18.65332 ? 460 LEU   A C    1 
ATOM   1397 O O    . LEU   A 1 174 ? 19.97814 -22.43884 -0.61355  1.000 19.14955 ? 460 LEU   A O    1 
ATOM   1398 C CB   . LEU   A 1 174 ? 18.53401 -20.29451 0.88150   1.000 18.10049 ? 460 LEU   A CB   1 
ATOM   1399 C CG   . LEU   A 1 174 ? 18.03950 -19.50735 2.08539   1.000 17.91237 ? 460 LEU   A CG   1 
ATOM   1400 C CD1  . LEU   A 1 174 ? 18.56490 -18.07980 1.99151   1.000 17.78776 ? 460 LEU   A CD1  1 
ATOM   1401 C CD2  . LEU   A 1 174 ? 16.51809 -19.53364 2.14153   1.000 19.83948 ? 460 LEU   A CD2  1 
ATOM   1402 N N    . THR   A 1 175 ? 17.90853 -22.57854 -1.49545  1.000 18.20582 ? 461 THR   A N    1 
ATOM   1403 C CA   . THR   A 1 175 ? 18.37585 -23.12871 -2.77185  1.000 19.93682 ? 461 THR   A CA   1 
ATOM   1404 C C    . THR   A 1 175 ? 17.84896 -22.27895 -3.90926  1.000 18.16633 ? 461 THR   A C    1 
ATOM   1405 O O    . THR   A 1 175 ? 16.62965 -22.14037 -4.05868  1.000 19.34401 ? 461 THR   A O    1 
ATOM   1406 C CB   . THR   A 1 175 ? 17.89963 -24.56441 -2.98813  1.000 21.82477 ? 461 THR   A CB   1 
ATOM   1407 O OG1  . THR   A 1 175 ? 18.32827 -25.37896 -1.90309  1.000 21.84373 ? 461 THR   A OG1  1 
ATOM   1408 C CG2  . THR   A 1 175 ? 18.47723 -25.11967 -4.29668  1.000 22.84752 ? 461 THR   A CG2  1 
ATOM   1409 N N    . ALA   A 1 176 ? 18.75599 -21.73974 -4.72533  1.000 18.22776 ? 462 ALA   A N    1 
ATOM   1410 C CA   . ALA   A 1 176 ? 18.35549 -21.02962 -5.93102  1.000 20.07533 ? 462 ALA   A CA   1 
ATOM   1411 C C    . ALA   A 1 176 ? 17.83963 -22.04366 -6.94226  1.000 22.18485 ? 462 ALA   A C    1 
ATOM   1412 O O    . ALA   A 1 176 ? 18.47411 -23.07814 -7.16628  1.000 24.83106 ? 462 ALA   A O    1 
ATOM   1413 C CB   . ALA   A 1 176 ? 19.54385 -20.24709 -6.50136  1.000 19.83132 ? 462 ALA   A CB   1 
ATOM   1414 N N    . LEU   A 1 177 ? 16.66911 -21.76184 -7.51689  1.000 21.37975 ? 463 LEU   A N    1 
ATOM   1415 C CA   . LEU   A 1 177 ? 15.93907 -22.69847 -8.36043  1.000 23.74869 ? 463 LEU   A CA   1 
ATOM   1416 C C    . LEU   A 1 177 ? 16.23968 -22.37123 -9.81075  1.000 24.57402 ? 463 LEU   A C    1 
ATOM   1417 O O    . LEU   A 1 177 ? 16.13529 -21.21433 -10.22437 1.000 26.37893 ? 463 LEU   A O    1 
ATOM   1418 C CB   . LEU   A 1 177 ? 14.43306 -22.57725 -8.11236  1.000 22.34313 ? 463 LEU   A CB   1 
ATOM   1419 C CG   . LEU   A 1 177 ? 13.92251 -22.72939 -6.66876  1.000 15.91172 ? 463 LEU   A CG   1 
ATOM   1420 C CD1  . LEU   A 1 177 ? 12.40714 -22.85394 -6.67043  1.000 26.12071 ? 463 LEU   A CD1  1 
ATOM   1421 C CD2  . LEU   A 1 177 ? 14.56903 -23.90474 -6.06417  1.000 20.58075 ? 463 LEU   A CD2  1 
ATOM   1422 N N    . CYS   A 1 178 ? 16.62419 -23.38510 -10.57421 1.000 22.94905 ? 464 CYS   A N    1 
ATOM   1423 C CA   . CYS   A 1 178 ? 16.99934 -23.17144 -11.95586 1.000 30.56553 ? 464 CYS   A CA   1 
ATOM   1424 C C    . CYS   A 1 178 ? 15.87011 -22.51779 -12.73211 1.000 35.78249 ? 464 CYS   A C    1 
ATOM   1425 O O    . CYS   A 1 178 ? 15.99708 -22.26362 -13.93080 1.000 41.61312 ? 464 CYS   A O    1 
ATOM   1426 C CB   . CYS   A 1 178 ? 17.39637 -24.50552 -12.55714 1.000 32.15299 ? 464 CYS   A CB   1 
ATOM   1427 S SG   . CYS   A 1 178 ? 16.56684 -25.81831 -11.68024 1.000 42.90759 ? 464 CYS   A SG   1 
HETATM 1428 N N1   . A1D9F B 2 .   ? 14.64110 -5.62161  11.76300  1.000 21.39539 ? 501 A1D9F A N1   1 
HETATM 1429 C C4   . A1D9F B 2 .   ? 13.33371 -2.00913  11.49457  1.000 24.14767 ? 501 A1D9F A C4   1 
HETATM 1430 C C5   . A1D9F B 2 .   ? 12.33462 -1.28679  10.61803  1.000 25.07743 ? 501 A1D9F A C5   1 
HETATM 1431 C C6   . A1D9F B 2 .   ? 12.69785 -1.41727  9.16780   1.000 25.61134 ? 501 A1D9F A C6   1 
HETATM 1432 C C7   . A1D9F B 2 .   ? 12.70936 -2.89154  8.76737   1.000 23.98916 ? 501 A1D9F A C7   1 
HETATM 1433 C C8   . A1D9F B 2 .   ? 13.71419 -3.64248  9.63074   1.000 23.26464 ? 501 A1D9F A C8   1 
HETATM 1434 C C10  . A1D9F B 2 .   ? 15.88620 -7.45897  10.70914  1.000 21.69295 ? 501 A1D9F A C10  1 
HETATM 1435 C C13  . A1D9F B 2 .   ? 15.98613 -10.14991 9.92293   1.000 19.43194 ? 501 A1D9F A C13  1 
HETATM 1436 C C15  . A1D9F B 2 .   ? 17.20851 -12.26773 9.06689   1.000 20.02602 ? 501 A1D9F A C15  1 
HETATM 1437 C C17  . A1D9F B 2 .   ? 17.19531 -13.62071 8.78016   1.000 19.66365 ? 501 A1D9F A C17  1 
HETATM 1438 C C20  . A1D9F B 2 .   ? 14.95679 -12.34850 9.75732   1.000 20.33047 ? 501 A1D9F A C20  1 
HETATM 1439 C C21  . A1D9F B 2 .   ? 16.94274 -9.58773  10.78197  1.000 20.44396 ? 501 A1D9F A C21  1 
HETATM 1440 C C22  . A1D9F B 2 .   ? 16.91826 -8.27229  11.17839  1.000 20.92870 ? 501 A1D9F A C22  1 
HETATM 1441 C C1   . A1D9F B 2 .   ? 15.70933 -6.01152  11.03566  1.000 20.41884 ? 501 A1D9F A C1   1 
HETATM 1442 C C11  . A1D9F B 2 .   ? 14.92044 -8.01590  9.85775   1.000 19.75226 ? 501 A1D9F A C11  1 
HETATM 1443 C C12  . A1D9F B 2 .   ? 14.96188 -9.33845  9.47513   1.000 20.58572 ? 501 A1D9F A C12  1 
HETATM 1444 C C14  . A1D9F B 2 .   ? 16.07606 -11.58920 9.55462   1.000 19.93193 ? 501 A1D9F A C14  1 
HETATM 1445 C C16  . A1D9F B 2 .   ? 19.97864 -12.37698 9.49158   1.000 22.19673 ? 501 A1D9F A C16  1 
HETATM 1446 C C18  . A1D9F B 2 .   ? 16.04689 -14.34713 8.98818   1.000 20.45753 ? 501 A1D9F A C18  1 
HETATM 1447 C C19  . A1D9F B 2 .   ? 14.93312 -13.69342 9.47346   1.000 20.46373 ? 501 A1D9F A C19  1 
HETATM 1448 C C2   . A1D9F B 2 .   ? 14.45794 -4.18167  12.01865  1.000 21.19809 ? 501 A1D9F A C2   1 
HETATM 1449 C C23  . A1D9F B 2 .   ? 19.40808 -7.12912  11.12704  1.000 20.03780 ? 501 A1D9F A C23  1 
HETATM 1450 C C3   . A1D9F B 2 .   ? 13.42194 -3.48595  11.12556  1.000 22.72150 ? 501 A1D9F A C3   1 
HETATM 1451 C C9   . A1D9F B 2 .   ? 13.65749 -6.53221  12.31254  1.000 22.90197 ? 501 A1D9F A C9   1 
HETATM 1452 F F1   . A1D9F B 2 .   ? 12.17190 -4.10665  11.40322  1.000 25.81213 ? 501 A1D9F A F1   1 
HETATM 1453 O O1   . A1D9F B 2 .   ? 16.51050 -5.20044  10.60677  1.000 21.00886 ? 501 A1D9F A O1   1 
HETATM 1454 O O2   . A1D9F B 2 .   ? 17.68400 -6.64792  13.01291  1.000 21.42345 ? 501 A1D9F A O2   1 
HETATM 1455 O O3   . A1D9F B 2 .   ? 18.74639 -8.89442  12.85309  1.000 23.02518 ? 501 A1D9F A O3   1 
HETATM 1456 S S1   . A1D9F B 2 .   ? 18.68759 -11.39204 8.73716   1.000 25.13172 ? 501 A1D9F A S1   1 
HETATM 1457 S S2   . A1D9F B 2 .   ? 18.20959 -7.70168  12.24996  1.000 22.13059 ? 501 A1D9F A S2   1 
HETATM 1458 H H4_2 . A1D9F B 2 .   ? 14.31488 -1.54780  11.38238  1.000 28.89688 ? 501 A1D9F A H4_2 1 
HETATM 1459 H H4_1 . A1D9F B 2 .   ? 13.03620 -1.91314  12.53878  1.000 28.89688 ? 501 A1D9F A H4_1 1 
HETATM 1460 H H5_2 . A1D9F B 2 .   ? 12.30804 -0.23201  10.89161  1.000 30.01258 ? 501 A1D9F A H5_2 1 
HETATM 1461 H H5_1 . A1D9F B 2 .   ? 11.34072 -1.70330  10.78171  1.000 30.01258 ? 501 A1D9F A H5_1 1 
HETATM 1462 H H6_1 . A1D9F B 2 .   ? 13.68361 -0.98435  8.99763   1.000 30.65328 ? 501 A1D9F A H6_1 1 
HETATM 1463 H H6_2 . A1D9F B 2 .   ? 11.97142 -0.87866  8.55928   1.000 30.65328 ? 501 A1D9F A H6_2 1 
HETATM 1464 H H7_2 . A1D9F B 2 .   ? 12.98676 -2.98410  7.71733   1.000 28.70667 ? 501 A1D9F A H7_2 1 
HETATM 1465 H H7_1 . A1D9F B 2 .   ? 11.71566 -3.31716  8.90701   1.000 28.70667 ? 501 A1D9F A H7_1 1 
HETATM 1466 H H8_1 . A1D9F B 2 .   ? 13.69536 -4.69941  9.36910   1.000 27.83723 ? 501 A1D9F A H8_1 1 
HETATM 1467 H H8_2 . A1D9F B 2 .   ? 14.71706 -3.27423  9.41961   1.000 27.83723 ? 501 A1D9F A H8_2 1 
HETATM 1468 H HC17 . A1D9F B 2 .   ? 18.08182 -14.10282 8.39535   1.000 23.51605 ? 501 A1D9F A HC17 1 
HETATM 1469 H HC20 . A1D9F B 2 .   ? 14.05993 -11.89300 10.15044  1.000 24.31623 ? 501 A1D9F A HC20 1 
HETATM 1470 H HC21 . A1D9F B 2 .   ? 17.74625 -10.20123 11.16194  1.000 24.45242 ? 501 A1D9F A HC21 1 
HETATM 1471 H HC11 . A1D9F B 2 .   ? 14.11712 -7.39682  9.48650   1.000 23.62239 ? 501 A1D9F A HC11 1 
HETATM 1472 H HC12 . A1D9F B 2 .   ? 14.19997 -9.74668  8.82764   1.000 24.62254 ? 501 A1D9F A HC12 1 
HETATM 1473 H H163 . A1D9F B 2 .   ? 20.68824 -11.72170 9.99672   1.000 26.55574 ? 501 A1D9F A H163 1 
HETATM 1474 H H162 . A1D9F B 2 .   ? 20.49730 -12.94848 8.72185   1.000 26.55574 ? 501 A1D9F A H162 1 
HETATM 1475 H H161 . A1D9F B 2 .   ? 19.53781 -13.06149 10.21629  1.000 26.55574 ? 501 A1D9F A H161 1 
HETATM 1476 H HC18 . A1D9F B 2 .   ? 16.02587 -15.40543 8.77382   1.000 24.46870 ? 501 A1D9F A HC18 1 
HETATM 1477 H HC19 . A1D9F B 2 .   ? 14.01803 -14.24324 9.63687   1.000 24.47614 ? 501 A1D9F A HC19 1 
HETATM 1478 H H2_2 . A1D9F B 2 .   ? 15.41642 -3.66958  11.93397  1.000 25.35737 ? 501 A1D9F A H2_2 1 
HETATM 1479 H H2_1 . A1D9F B 2 .   ? 14.20137 -4.02520  13.06641  1.000 25.35737 ? 501 A1D9F A H2_1 1 
HETATM 1480 H H232 . A1D9F B 2 .   ? 19.62521 -6.08041  11.32994  1.000 23.96503 ? 501 A1D9F A H232 1 
HETATM 1481 H H231 . A1D9F B 2 .   ? 19.03140 -7.23133  10.10932  1.000 23.96503 ? 501 A1D9F A H231 1 
HETATM 1482 H H233 . A1D9F B 2 .   ? 20.31979 -7.71629  11.23715  1.000 23.96503 ? 501 A1D9F A H233 1 
HETATM 1483 H H9_1 . A1D9F B 2 .   ? 14.16241 -7.39716  12.74268  1.000 27.40204 ? 501 A1D9F A H9_1 1 
HETATM 1484 H H9_2 . A1D9F B 2 .   ? 12.98428 -6.86175  11.52116  1.000 27.40204 ? 501 A1D9F A H9_2 1 
HETATM 1485 H H9_3 . A1D9F B 2 .   ? 13.08429 -6.02416  13.08807  1.000 27.40204 ? 501 A1D9F A H9_3 1 
HETATM 1486 O O    . HOH   C 3 .   ? 15.08739 -20.17440 -14.25641 1.000 41.19460 ? 601 HOH   A O    1 
HETATM 1487 O O    . HOH   C 3 .   ? 17.15878 -19.26105 12.33376  1.000 28.65103 ? 602 HOH   A O    1 
HETATM 1488 O O    . HOH   C 3 .   ? 13.407   -25.028   10.835    1.000 33.95543 ? 603 HOH   A O    1 
HETATM 1489 O O    . HOH   C 3 .   ? 32.94460 -10.05934 -4.45219  1.000 35.14324 ? 604 HOH   A O    1 
HETATM 1490 O O    . HOH   C 3 .   ? 5.90653  -24.69907 -4.07485  1.000 25.22657 ? 605 HOH   A O    1 
HETATM 1491 O O    . HOH   C 3 .   ? 24.241   -28.656   -1.000    1.000 29.47790 ? 606 HOH   A O    1 
HETATM 1492 O O    . HOH   C 3 .   ? 1.246    -25.457   -5.003    1.000 35.63573 ? 607 HOH   A O    1 
HETATM 1493 O O    . HOH   C 3 .   ? 32.70529 -6.23573  14.01687  1.000 28.05082 ? 608 HOH   A O    1 
HETATM 1494 O O    . HOH   C 3 .   ? 14.09123 -5.29799  4.90898   1.000 20.29776 ? 609 HOH   A O    1 
HETATM 1495 O O    . HOH   C 3 .   ? 16.11975 -25.50132 -0.47376  1.000 30.32694 ? 610 HOH   A O    1 
HETATM 1496 O O    . HOH   C 3 .   ? 8.04410  -20.10083 4.04140   1.000 20.49286 ? 611 HOH   A O    1 
HETATM 1497 O O    . HOH   C 3 .   ? 13.20822 -3.43238  3.21219   1.000 20.98913 ? 612 HOH   A O    1 
HETATM 1498 O O    . HOH   C 3 .   ? 2.45568  -14.13766 8.84957   1.000 29.27559 ? 613 HOH   A O    1 
HETATM 1499 O O    . HOH   C 3 .   ? 9.58931  1.36850   -1.66760  1.000 32.39127 ? 614 HOH   A O    1 
HETATM 1500 O O    . HOH   C 3 .   ? 0.88582  -10.84370 1.29819   1.000 30.71254 ? 615 HOH   A O    1 
HETATM 1501 O O    . HOH   C 3 .   ? 2.76852  -24.64722 2.18176   1.000 31.93263 ? 616 HOH   A O    1 
HETATM 1502 O O    . HOH   C 3 .   ? 30.46193 -26.59127 0.50570   1.000 37.39400 ? 617 HOH   A O    1 
HETATM 1503 O O    . HOH   C 3 .   ? 24.49438 -28.45305 -4.39807  1.000 29.38461 ? 618 HOH   A O    1 
HETATM 1504 O O    . HOH   C 3 .   ? 16.57728 -16.68195 -12.67601 1.000 34.36068 ? 619 HOH   A O    1 
HETATM 1505 O O    . HOH   C 3 .   ? 26.03155 -22.32564 -10.67594 1.000 30.44249 ? 620 HOH   A O    1 
HETATM 1506 O O    . HOH   C 3 .   ? 30.915   -25.922   -9.999    1.000 36.30773 ? 621 HOH   A O    1 
HETATM 1507 O O    . HOH   C 3 .   ? -0.22556 -5.88420  7.44391   1.000 33.90892 ? 622 HOH   A O    1 
HETATM 1508 O O    . HOH   C 3 .   ? 30.57436 -10.01375 -7.41930  1.000 36.38047 ? 623 HOH   A O    1 
HETATM 1509 O O    . HOH   C 3 .   ? 12.28172 0.18947   5.54305   1.000 28.02261 ? 624 HOH   A O    1 
HETATM 1510 O O    . HOH   C 3 .   ? 16.60077 -18.62709 -9.40614  1.000 25.03816 ? 625 HOH   A O    1 
HETATM 1511 O O    . HOH   C 3 .   ? 4.23883  -6.33745  -8.53040  1.000 28.87201 ? 626 HOH   A O    1 
HETATM 1512 O O    . HOH   C 3 .   ? 20.19616 -6.48468  14.60720  1.000 27.22038 ? 627 HOH   A O    1 
HETATM 1513 O O    . HOH   C 3 .   ? 10.10967 0.64316   2.47489   1.000 28.50140 ? 628 HOH   A O    1 
HETATM 1514 O O    . HOH   C 3 .   ? 13.26377 -16.99961 14.19688  1.000 31.86899 ? 629 HOH   A O    1 
HETATM 1515 O O    . HOH   C 3 .   ? 20.32063 -23.00495 7.02548   1.000 23.87546 ? 630 HOH   A O    1 
HETATM 1516 O O    . HOH   C 3 .   ? 27.57697 -7.71769  9.63779   1.000 21.19912 ? 631 HOH   A O    1 
HETATM 1517 O O    . HOH   C 3 .   ? 10.23401 -21.49871 5.09686   1.000 20.91724 ? 632 HOH   A O    1 
HETATM 1518 O O    . HOH   C 3 .   ? 4.22421  -3.52824  12.76629  1.000 36.24507 ? 633 HOH   A O    1 
HETATM 1519 O O    . HOH   C 3 .   ? 6.89076  -0.13414  0.64477   1.000 32.48784 ? 634 HOH   A O    1 
HETATM 1520 O O    . HOH   C 3 .   ? 15.38901 -26.29486 2.10519   1.000 25.69356 ? 635 HOH   A O    1 
HETATM 1521 O O    . HOH   C 3 .   ? 4.28616  0.46525   7.62082   1.000 32.93401 ? 636 HOH   A O    1 
HETATM 1522 O O    . HOH   C 3 .   ? 29.93329 -16.31533 -7.18503  1.000 31.43361 ? 637 HOH   A O    1 
HETATM 1523 O O    . HOH   C 3 .   ? 20.42469 0.45712   9.81788   1.000 27.77145 ? 638 HOH   A O    1 
HETATM 1524 O O    . HOH   C 3 .   ? 17.12173 -12.59425 -2.89168  1.000 17.44331 ? 639 HOH   A O    1 
HETATM 1525 O O    . HOH   C 3 .   ? 3.26511  -1.65896  3.39220   1.000 33.23106 ? 640 HOH   A O    1 
HETATM 1526 O O    . HOH   C 3 .   ? 0.49391  -15.32602 -0.92019  1.000 24.91700 ? 641 HOH   A O    1 
HETATM 1527 O O    . HOH   C 3 .   ? 0.81210  -15.95532 7.48377   1.000 32.02886 ? 642 HOH   A O    1 
HETATM 1528 O O    . HOH   C 3 .   ? 23.62671 -0.18480  5.22034   1.000 31.43944 ? 643 HOH   A O    1 
HETATM 1529 O O    . HOH   C 3 .   ? 5.78732  -20.95247 7.90632   1.000 34.59244 ? 644 HOH   A O    1 
HETATM 1530 O O    . HOH   C 3 .   ? 2.90887  2.82611   -5.76762  1.000 50.14271 ? 645 HOH   A O    1 
HETATM 1531 O O    . HOH   C 3 .   ? 2.352    -8.487    -10.289   1.000 18.71795 ? 646 HOH   A O    1 
HETATM 1532 O O    . HOH   C 3 .   ? -4.68897 -18.85205 -1.53741  1.000 44.01868 ? 647 HOH   A O    1 
HETATM 1533 O O    . HOH   C 3 .   ? 1.81022  -1.81958  7.14989   1.000 35.30380 ? 648 HOH   A O    1 
HETATM 1534 O O    . HOH   C 3 .   ? 24.59387 -25.03275 1.46699   1.000 29.51808 ? 649 HOH   A O    1 
HETATM 1535 O O    . HOH   C 3 .   ? 31.04591 -18.62913 4.30701   1.000 32.73872 ? 650 HOH   A O    1 
HETATM 1536 O O    . HOH   C 3 .   ? 25.98224 -27.25577 0.60147   1.000 29.53789 ? 651 HOH   A O    1 
HETATM 1537 O O    . HOH   C 3 .   ? 15.60887 -26.41582 8.77179   1.000 28.42734 ? 652 HOH   A O    1 
HETATM 1538 O O    . HOH   C 3 .   ? 29.17991 -13.71238 12.86762  1.000 31.69351 ? 653 HOH   A O    1 
HETATM 1539 O O    . HOH   C 3 .   ? -0.25547 -12.50877 -0.38955  1.000 31.65801 ? 654 HOH   A O    1 
HETATM 1540 O O    . HOH   C 3 .   ? -0.70795 -9.82775  3.44595   1.000 29.92440 ? 655 HOH   A O    1 
HETATM 1541 O O    . HOH   C 3 .   ? -1.11228 -17.04969 0.82188   1.000 33.24890 ? 656 HOH   A O    1 
HETATM 1542 O O    . HOH   C 3 .   ? 1.93874  -23.48469 -7.90944  1.000 31.96809 ? 657 HOH   A O    1 
HETATM 1543 O O    . HOH   C 3 .   ? 31.32114 -22.54347 2.32083   1.000 28.48733 ? 658 HOH   A O    1 
HETATM 1544 O O    . HOH   C 3 .   ? 27.32788 -27.94166 -5.72648  1.000 22.09873 ? 659 HOH   A O    1 
HETATM 1545 O O    . HOH   C 3 .   ? 27.40587 -8.72730  -12.39498 1.000 36.09458 ? 660 HOH   A O    1 
HETATM 1546 O O    . HOH   C 3 .   ? 23.90697 2.20782   1.46399   1.000 35.48017 ? 661 HOH   A O    1 
HETATM 1547 O O    . HOH   C 3 .   ? 16.33499 -28.29301 10.86157  0.500 31.03983 ? 662 HOH   A O    1 
HETATM 1548 O O    . HOH   C 3 .   ? 27.36788 -28.22108 10.25699  1.000 45.59371 ? 663 HOH   A O    1 
HETATM 1549 O O    . HOH   C 3 .   ? 2.30660  -4.86386  -2.03515  1.000 31.04378 ? 664 HOH   A O    1 
HETATM 1550 O O    . HOH   C 3 .   ? 29.01412 -28.68779 -2.34872  1.000 29.35978 ? 665 HOH   A O    1 
HETATM 1551 O O    . HOH   C 3 .   ? 8.30469  -20.20493 11.57125  1.000 30.75834 ? 666 HOH   A O    1 
HETATM 1552 O O    . HOH   C 3 .   ? 28.511   -29.212   2.584     1.000 29.68227 ? 667 HOH   A O    1 
HETATM 1553 O O    . HOH   C 3 .   ? 9.92841  2.22085   5.10602   1.000 26.80941 ? 668 HOH   A O    1 
HETATM 1554 O O    . HOH   C 3 .   ? 31.54818 -2.23772  6.06323   1.000 23.01101 ? 669 HOH   A O    1 
HETATM 1555 O O    . HOH   C 3 .   ? 20.13098 -24.08628 13.17263  1.000 28.92933 ? 670 HOH   A O    1 
HETATM 1556 O O    . HOH   C 3 .   ? -1.46351 -11.81346 -7.26997  1.000 27.25810 ? 671 HOH   A O    1 
HETATM 1557 O O    . HOH   C 3 .   ? 18.80842 -17.70698 -11.22938 1.000 17.15435 ? 672 HOH   A O    1 
HETATM 1558 O O    . HOH   C 3 .   ? 22.27856 -4.84816  -15.18287 1.000 32.88688 ? 673 HOH   A O    1 
HETATM 1559 O O    . HOH   C 3 .   ? 20.17030 2.80940   -5.02437  1.000 23.66927 ? 674 HOH   A O    1 
HETATM 1560 O O    . HOH   C 3 .   ? 5.68160  -14.93342 17.00620  1.000 38.58626 ? 675 HOH   A O    1 
HETATM 1561 O O    . HOH   C 3 .   ? 30.68773 -7.26869  -2.72972  1.000 17.98883 ? 676 HOH   A O    1 
HETATM 1562 O O    . HOH   C 3 .   ? 12.74835 2.96821   -1.01985  1.000 29.43727 ? 677 HOH   A O    1 
HETATM 1563 O O    . HOH   C 3 .   ? 15.04141 -6.22736  -19.13032 1.000 35.53993 ? 678 HOH   A O    1 
HETATM 1564 O O    . HOH   C 3 .   ? 35.82928 -16.09898 0.48374   1.000 32.24281 ? 679 HOH   A O    1 
HETATM 1565 O O    . HOH   C 3 .   ? 35.563   -16.918   -7.748    1.000 48.31670 ? 680 HOH   A O    1 
HETATM 1566 O O    . HOH   C 3 .   ? 18.42038 -25.71917 -9.26465  1.000 26.59954 ? 681 HOH   A O    1 
HETATM 1567 O O    . HOH   C 3 .   ? 36.39608 -11.32649 6.73372   1.000 35.25411 ? 682 HOH   A O    1 
HETATM 1568 O O    . HOH   C 3 .   ? 27.827   -13.633   -13.633   1.000 55.59256 ? 683 HOH   A O    1 
HETATM 1569 O O    . HOH   C 3 .   ? 32.194   -4.522    13.347    1.000 30.35326 ? 684 HOH   A O    1 
HETATM 1570 O O    . HOH   C 3 .   ? 12.95864 3.08131   5.74892   1.000 29.45576 ? 685 HOH   A O    1 
HETATM 1571 O O    . HOH   C 3 .   ? 14.57177 -18.82281 -12.15462 1.000 36.57168 ? 686 HOH   A O    1 
HETATM 1572 O O    . HOH   C 3 .   ? 17.39664 -12.27024 -14.92271 1.000 34.82385 ? 687 HOH   A O    1 
HETATM 1573 O O    . HOH   C 3 .   ? 31.301   -1.847    12.646    1.000 27.62285 ? 688 HOH   A O    1 
HETATM 1574 O O    . HOH   C 3 .   ? 7.65407  -22.02502 9.70500   1.000 35.13795 ? 689 HOH   A O    1 
HETATM 1575 O O    . HOH   C 3 .   ? 19.96976 -26.59763 -7.90462  1.000 35.25520 ? 690 HOH   A O    1 
HETATM 1576 O O    . HOH   C 3 .   ? 28.75461 -30.29991 -5.20677  1.000 32.41732 ? 691 HOH   A O    1 
HETATM 1577 O O    . HOH   C 3 .   ? 16.33502 -28.29304 -9.24418  0.500 31.19360 ? 692 HOH   A O    1 
# 
