data_9CP6
# 
_entry.id   9CP6 
# 
_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   9CP6         pdb_00009cp6 10.2210/pdb9cp6/pdb 
WWPDB D_1000286036 ?            ?                   
# 
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 2025-03-12 ? 
2 'Structure model' 1 1 2025-04-09 ? 
# 
_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.pdbx_database_id_DOI'    
3 2 'Structure model' '_citation.pdbx_database_id_PubMed' 
4 2 'Structure model' '_citation.title'                   
5 2 'Structure model' '_citation_author.identifier_ORCID' 
# 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.entry_id                        9CP6 
_pdbx_database_status.recvd_initial_deposition_date   2024-07-17 
_pdbx_database_status.SG_entry                        N 
_pdbx_database_status.deposit_site                    RCSB 
_pdbx_database_status.process_site                    RCSB 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.status_code_nmr_data            ? 
_pdbx_database_status.methods_development_category    ? 
_pdbx_database_status.pdb_format_compatible           Y 
# 
_pdbx_contact_author.id                 2 
_pdbx_contact_author.email              ovts222@uky.edu 
_pdbx_contact_author.name_first         Oleg 
_pdbx_contact_author.name_last          Tsodikov 
_pdbx_contact_author.name_mi            V. 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0001-7094-4216 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Hou, C.'        1 ? 
'Tsodikov, O.V.' 2 ? 
# 
_citation.abstract                  ? 
_citation.abstract_id_CAS           ? 
_citation.book_id_ISBN              ? 
_citation.book_publisher            ? 
_citation.book_publisher_city       ? 
_citation.book_title                ? 
_citation.coordinate_linkage        ? 
_citation.country                   UK 
_citation.database_id_Medline       ? 
_citation.details                   ? 
_citation.id                        primary 
_citation.journal_abbrev            'Nucleic Acids Res.' 
_citation.journal_id_ASTM           NARHAD 
_citation.journal_id_CSD            0389 
_citation.journal_id_ISSN           1362-4962 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            53 
_citation.language                  ? 
_citation.page_first                ? 
_citation.page_last                 ? 
_citation.title                     'Structure and cooperative formation of a FLI1 filament on contiguous GGAA DNA sites.' 
_citation.year                      2025 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      10.1093/nar/gkaf205 
_citation.pdbx_database_id_PubMed   40131773 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Hou, C.'        1 ?                   
primary 'Tsodikov, O.V.' 2 0000-0001-7094-4216 
# 
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 'Friend leukemia integration 1 transcription factor' 13473.199 1  ? ? ? 'human FLI1 (residues 259-371)' 
2 non-polymer syn 'SODIUM ION'                                         22.990    1  ? ? ? ?                               
3 water       nat water                                                18.015    62 ? ? ? ?                               
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        'Proto-oncogene Fli-1,Transcription factor ERGB' 
# 
_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       
;GPHMQPDPYQILGPTSSRLANPGSGQIQLWQFLLELLSDSANASCITWEGTNGEFKMTDPDEVARRWGERKSKPNMNYDK
LSRALRYYYDKNIMTKVHGKRYAYKFDFHGIAQALQP
;
_entity_poly.pdbx_seq_one_letter_code_can   
;GPHMQPDPYQILGPTSSRLANPGSGQIQLWQFLLELLSDSANASCITWEGTNGEFKMTDPDEVARRWGERKSKPNMNYDK
LSRALRYYYDKNIMTKVHGKRYAYKFDFHGIAQALQP
;
_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 'SODIUM ION' NA  
3 water        HOH 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   GLY n 
1 2   PRO n 
1 3   HIS n 
1 4   MET n 
1 5   GLN n 
1 6   PRO n 
1 7   ASP n 
1 8   PRO n 
1 9   TYR n 
1 10  GLN n 
1 11  ILE n 
1 12  LEU n 
1 13  GLY n 
1 14  PRO n 
1 15  THR n 
1 16  SER n 
1 17  SER n 
1 18  ARG n 
1 19  LEU n 
1 20  ALA n 
1 21  ASN n 
1 22  PRO n 
1 23  GLY n 
1 24  SER n 
1 25  GLY n 
1 26  GLN n 
1 27  ILE n 
1 28  GLN n 
1 29  LEU n 
1 30  TRP n 
1 31  GLN n 
1 32  PHE n 
1 33  LEU n 
1 34  LEU n 
1 35  GLU n 
1 36  LEU n 
1 37  LEU n 
1 38  SER n 
1 39  ASP n 
1 40  SER n 
1 41  ALA n 
1 42  ASN n 
1 43  ALA n 
1 44  SER n 
1 45  CYS n 
1 46  ILE n 
1 47  THR n 
1 48  TRP n 
1 49  GLU n 
1 50  GLY n 
1 51  THR n 
1 52  ASN n 
1 53  GLY n 
1 54  GLU n 
1 55  PHE n 
1 56  LYS n 
1 57  MET n 
1 58  THR n 
1 59  ASP n 
1 60  PRO n 
1 61  ASP n 
1 62  GLU n 
1 63  VAL n 
1 64  ALA n 
1 65  ARG n 
1 66  ARG n 
1 67  TRP n 
1 68  GLY n 
1 69  GLU n 
1 70  ARG n 
1 71  LYS n 
1 72  SER n 
1 73  LYS n 
1 74  PRO n 
1 75  ASN n 
1 76  MET n 
1 77  ASN n 
1 78  TYR n 
1 79  ASP n 
1 80  LYS n 
1 81  LEU n 
1 82  SER n 
1 83  ARG n 
1 84  ALA n 
1 85  LEU n 
1 86  ARG n 
1 87  TYR n 
1 88  TYR n 
1 89  TYR n 
1 90  ASP n 
1 91  LYS n 
1 92  ASN n 
1 93  ILE n 
1 94  MET n 
1 95  THR n 
1 96  LYS n 
1 97  VAL n 
1 98  HIS n 
1 99  GLY n 
1 100 LYS n 
1 101 ARG n 
1 102 TYR n 
1 103 ALA n 
1 104 TYR n 
1 105 LYS n 
1 106 PHE n 
1 107 ASP n 
1 108 PHE n 
1 109 HIS n 
1 110 GLY n 
1 111 ILE n 
1 112 ALA n 
1 113 GLN n 
1 114 ALA n 
1 115 LEU n 
1 116 GLN n 
1 117 PRO 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                   117 
_entity_src_gen.gene_src_common_name               human 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 FLI1 
_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               ? 
_entity_src_gen.pdbx_host_org_scientific_name      'Escherichia coli BL21(DE3)' 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     469008 
_entity_src_gen.host_org_genus                     ? 
_entity_src_gen.pdbx_host_org_gene                 ? 
_entity_src_gen.pdbx_host_org_organ                ? 
_entity_src_gen.host_org_species                   ? 
_entity_src_gen.pdbx_host_org_tissue               ? 
_entity_src_gen.pdbx_host_org_tissue_fraction      ? 
_entity_src_gen.pdbx_host_org_strain               ? 
_entity_src_gen.pdbx_host_org_variant              ? 
_entity_src_gen.pdbx_host_org_cell_line            ? 
_entity_src_gen.pdbx_host_org_atcc                 ? 
_entity_src_gen.pdbx_host_org_culture_collection   ? 
_entity_src_gen.pdbx_host_org_cell                 ? 
_entity_src_gen.pdbx_host_org_organelle            ? 
_entity_src_gen.pdbx_host_org_cellular_location    ? 
_entity_src_gen.pdbx_host_org_vector_type          ? 
_entity_src_gen.pdbx_host_org_vector               ? 
_entity_src_gen.host_org_details                   ? 
_entity_src_gen.expression_system_id               ? 
_entity_src_gen.plasmid_name                       ? 
_entity_src_gen.plasmid_details                    ? 
_entity_src_gen.pdbx_description                   ? 
# 
loop_
_chem_comp.id 
_chem_comp.type 
_chem_comp.mon_nstd_flag 
_chem_comp.name 
_chem_comp.pdbx_synonyms 
_chem_comp.formula 
_chem_comp.formula_weight 
ALA 'L-peptide linking' y ALANINE         ? 'C3 H7 N O2'     89.093  
ARG 'L-peptide linking' y ARGININE        ? 'C6 H15 N4 O2 1' 175.209 
ASN 'L-peptide linking' y ASPARAGINE      ? 'C4 H8 N2 O3'    132.118 
ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4'     133.103 
CYS 'L-peptide linking' y CYSTEINE        ? 'C3 H7 N O2 S'   121.158 
GLN 'L-peptide linking' y GLUTAMINE       ? 'C5 H10 N2 O3'   146.144 
GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4'     147.129 
GLY 'peptide linking'   y GLYCINE         ? 'C2 H5 N O2'     75.067  
HIS 'L-peptide linking' y HISTIDINE       ? 'C6 H10 N3 O2 1' 156.162 
HOH non-polymer         . WATER           ? 'H2 O'           18.015  
ILE 'L-peptide linking' y ISOLEUCINE      ? 'C6 H13 N O2'    131.173 
LEU 'L-peptide linking' y LEUCINE         ? 'C6 H13 N O2'    131.173 
LYS 'L-peptide linking' y LYSINE          ? 'C6 H15 N2 O2 1' 147.195 
MET 'L-peptide linking' y METHIONINE      ? 'C5 H11 N O2 S'  149.211 
NA  non-polymer         . 'SODIUM ION'    ? 'Na 1'           22.990  
PHE 'L-peptide linking' y PHENYLALANINE   ? 'C9 H11 N O2'    165.189 
PRO 'L-peptide linking' y PROLINE         ? 'C5 H9 N O2'     115.130 
SER 'L-peptide linking' y SERINE          ? 'C3 H7 N O3'     105.093 
THR 'L-peptide linking' y THREONINE       ? 'C4 H9 N O3'     119.119 
TRP 'L-peptide linking' y TRYPTOPHAN      ? 'C11 H12 N2 O2'  204.225 
TYR 'L-peptide linking' y TYROSINE        ? 'C9 H11 N O3'    181.189 
VAL 'L-peptide linking' y VALINE          ? 'C5 H11 N O2'    117.146 
# 
loop_
_pdbx_poly_seq_scheme.asym_id 
_pdbx_poly_seq_scheme.entity_id 
_pdbx_poly_seq_scheme.seq_id 
_pdbx_poly_seq_scheme.mon_id 
_pdbx_poly_seq_scheme.ndb_seq_num 
_pdbx_poly_seq_scheme.pdb_seq_num 
_pdbx_poly_seq_scheme.auth_seq_num 
_pdbx_poly_seq_scheme.pdb_mon_id 
_pdbx_poly_seq_scheme.auth_mon_id 
_pdbx_poly_seq_scheme.pdb_strand_id 
_pdbx_poly_seq_scheme.pdb_ins_code 
_pdbx_poly_seq_scheme.hetero 
A 1 1   GLY 1   255 ?   ?   ?   A . n 
A 1 2   PRO 2   256 ?   ?   ?   A . n 
A 1 3   HIS 3   257 ?   ?   ?   A . n 
A 1 4   MET 4   258 ?   ?   ?   A . n 
A 1 5   GLN 5   259 ?   ?   ?   A . n 
A 1 6   PRO 6   260 ?   ?   ?   A . n 
A 1 7   ASP 7   261 ?   ?   ?   A . n 
A 1 8   PRO 8   262 ?   ?   ?   A . n 
A 1 9   TYR 9   263 ?   ?   ?   A . n 
A 1 10  GLN 10  264 ?   ?   ?   A . n 
A 1 11  ILE 11  265 ?   ?   ?   A . n 
A 1 12  LEU 12  266 ?   ?   ?   A . n 
A 1 13  GLY 13  267 ?   ?   ?   A . n 
A 1 14  PRO 14  268 ?   ?   ?   A . n 
A 1 15  THR 15  269 ?   ?   ?   A . n 
A 1 16  SER 16  270 ?   ?   ?   A . n 
A 1 17  SER 17  271 ?   ?   ?   A . n 
A 1 18  ARG 18  272 272 ARG ARG A . n 
A 1 19  LEU 19  273 273 LEU LEU A . n 
A 1 20  ALA 20  274 274 ALA ALA A . n 
A 1 21  ASN 21  275 275 ASN ASN A . n 
A 1 22  PRO 22  276 276 PRO PRO A . n 
A 1 23  GLY 23  277 277 GLY GLY A . n 
A 1 24  SER 24  278 278 SER SER A . n 
A 1 25  GLY 25  279 279 GLY GLY A . n 
A 1 26  GLN 26  280 280 GLN GLN A . n 
A 1 27  ILE 27  281 281 ILE ILE A . n 
A 1 28  GLN 28  282 282 GLN GLN A . n 
A 1 29  LEU 29  283 283 LEU LEU A . n 
A 1 30  TRP 30  284 284 TRP TRP A . n 
A 1 31  GLN 31  285 285 GLN GLN A . n 
A 1 32  PHE 32  286 286 PHE PHE A . n 
A 1 33  LEU 33  287 287 LEU LEU A . n 
A 1 34  LEU 34  288 288 LEU LEU A . n 
A 1 35  GLU 35  289 289 GLU GLU A . n 
A 1 36  LEU 36  290 290 LEU LEU A . n 
A 1 37  LEU 37  291 291 LEU LEU A . n 
A 1 38  SER 38  292 292 SER SER A . n 
A 1 39  ASP 39  293 293 ASP ASP A . n 
A 1 40  SER 40  294 294 SER SER A . n 
A 1 41  ALA 41  295 295 ALA ALA A . n 
A 1 42  ASN 42  296 296 ASN ASN A . n 
A 1 43  ALA 43  297 297 ALA ALA A . n 
A 1 44  SER 44  298 298 SER SER A . n 
A 1 45  CYS 45  299 299 CYS CYS A . n 
A 1 46  ILE 46  300 300 ILE ILE A . n 
A 1 47  THR 47  301 301 THR THR A . n 
A 1 48  TRP 48  302 302 TRP TRP A . n 
A 1 49  GLU 49  303 303 GLU GLU A . n 
A 1 50  GLY 50  304 304 GLY GLY A . n 
A 1 51  THR 51  305 305 THR THR A . n 
A 1 52  ASN 52  306 306 ASN ASN A . n 
A 1 53  GLY 53  307 307 GLY GLY A . n 
A 1 54  GLU 54  308 308 GLU GLU A . n 
A 1 55  PHE 55  309 309 PHE PHE A . n 
A 1 56  LYS 56  310 310 LYS LYS A . n 
A 1 57  MET 57  311 311 MET MET A . n 
A 1 58  THR 58  312 312 THR THR A . n 
A 1 59  ASP 59  313 313 ASP ASP A . n 
A 1 60  PRO 60  314 314 PRO PRO A . n 
A 1 61  ASP 61  315 315 ASP ASP A . n 
A 1 62  GLU 62  316 316 GLU GLU A . n 
A 1 63  VAL 63  317 317 VAL VAL A . n 
A 1 64  ALA 64  318 318 ALA ALA A . n 
A 1 65  ARG 65  319 319 ARG ARG A . n 
A 1 66  ARG 66  320 320 ARG ARG A . n 
A 1 67  TRP 67  321 321 TRP TRP A . n 
A 1 68  GLY 68  322 322 GLY GLY A . n 
A 1 69  GLU 69  323 323 GLU GLU A . n 
A 1 70  ARG 70  324 324 ARG ARG A . n 
A 1 71  LYS 71  325 325 LYS LYS A . n 
A 1 72  SER 72  326 326 SER SER A . n 
A 1 73  LYS 73  327 327 LYS LYS A . n 
A 1 74  PRO 74  328 328 PRO PRO A . n 
A 1 75  ASN 75  329 329 ASN ASN A . n 
A 1 76  MET 76  330 330 MET MET A . n 
A 1 77  ASN 77  331 331 ASN ASN A . n 
A 1 78  TYR 78  332 332 TYR TYR A . n 
A 1 79  ASP 79  333 333 ASP ASP A . n 
A 1 80  LYS 80  334 334 LYS LYS A . n 
A 1 81  LEU 81  335 335 LEU LEU A . n 
A 1 82  SER 82  336 336 SER SER A . n 
A 1 83  ARG 83  337 337 ARG ARG A . n 
A 1 84  ALA 84  338 338 ALA ALA A . n 
A 1 85  LEU 85  339 339 LEU LEU A . n 
A 1 86  ARG 86  340 340 ARG ARG A . n 
A 1 87  TYR 87  341 341 TYR TYR A . n 
A 1 88  TYR 88  342 342 TYR TYR A . n 
A 1 89  TYR 89  343 343 TYR TYR A . n 
A 1 90  ASP 90  344 344 ASP ASP A . n 
A 1 91  LYS 91  345 345 LYS LYS A . n 
A 1 92  ASN 92  346 346 ASN ASN A . n 
A 1 93  ILE 93  347 347 ILE ILE A . n 
A 1 94  MET 94  348 348 MET MET A . n 
A 1 95  THR 95  349 349 THR THR A . n 
A 1 96  LYS 96  350 350 LYS LYS A . n 
A 1 97  VAL 97  351 351 VAL VAL A . n 
A 1 98  HIS 98  352 352 HIS HIS A . n 
A 1 99  GLY 99  353 353 GLY GLY A . n 
A 1 100 LYS 100 354 354 LYS LYS A . n 
A 1 101 ARG 101 355 355 ARG ARG A . n 
A 1 102 TYR 102 356 356 TYR TYR A . n 
A 1 103 ALA 103 357 357 ALA ALA A . n 
A 1 104 TYR 104 358 358 TYR TYR A . n 
A 1 105 LYS 105 359 359 LYS LYS A . n 
A 1 106 PHE 106 360 360 PHE PHE A . n 
A 1 107 ASP 107 361 361 ASP ASP A . n 
A 1 108 PHE 108 362 362 PHE PHE A . n 
A 1 109 HIS 109 363 363 HIS HIS A . n 
A 1 110 GLY 110 364 364 GLY GLY A . n 
A 1 111 ILE 111 365 365 ILE ILE A . n 
A 1 112 ALA 112 366 366 ALA ALA A . n 
A 1 113 GLN 113 367 367 GLN GLN A . n 
A 1 114 ALA 114 368 368 ALA ALA A . n 
A 1 115 LEU 115 369 369 LEU LEU A . n 
A 1 116 GLN 116 370 370 GLN GLN A . n 
A 1 117 PRO 117 371 ?   ?   ?   A . n 
# 
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 NA  1  401 1  NA  NA  A . 
C 3 HOH 1  501 11 HOH HOH A . 
C 3 HOH 2  502 70 HOH HOH A . 
C 3 HOH 3  503 43 HOH HOH A . 
C 3 HOH 4  504 66 HOH HOH A . 
C 3 HOH 5  505 78 HOH HOH A . 
C 3 HOH 6  506 15 HOH HOH A . 
C 3 HOH 7  507 3  HOH HOH A . 
C 3 HOH 8  508 29 HOH HOH A . 
C 3 HOH 9  509 76 HOH HOH A . 
C 3 HOH 10 510 22 HOH HOH A . 
C 3 HOH 11 511 69 HOH HOH A . 
C 3 HOH 12 512 34 HOH HOH A . 
C 3 HOH 13 513 48 HOH HOH A . 
C 3 HOH 14 514 21 HOH HOH A . 
C 3 HOH 15 515 1  HOH HOH A . 
C 3 HOH 16 516 9  HOH HOH A . 
C 3 HOH 17 517 24 HOH HOH A . 
C 3 HOH 18 518 17 HOH HOH A . 
C 3 HOH 19 519 75 HOH HOH A . 
C 3 HOH 20 520 52 HOH HOH A . 
C 3 HOH 21 521 80 HOH HOH A . 
C 3 HOH 22 522 20 HOH HOH A . 
C 3 HOH 23 523 2  HOH HOH A . 
C 3 HOH 24 524 4  HOH HOH A . 
C 3 HOH 25 525 74 HOH HOH A . 
C 3 HOH 26 526 54 HOH HOH A . 
C 3 HOH 27 527 68 HOH HOH A . 
C 3 HOH 28 528 14 HOH HOH A . 
C 3 HOH 29 529 39 HOH HOH A . 
C 3 HOH 30 530 30 HOH HOH A . 
C 3 HOH 31 531 49 HOH HOH A . 
C 3 HOH 32 532 72 HOH HOH A . 
C 3 HOH 33 533 7  HOH HOH A . 
C 3 HOH 34 534 42 HOH HOH A . 
C 3 HOH 35 535 67 HOH HOH A . 
C 3 HOH 36 536 71 HOH HOH A . 
C 3 HOH 37 537 40 HOH HOH A . 
C 3 HOH 38 538 58 HOH HOH A . 
C 3 HOH 39 539 8  HOH HOH A . 
C 3 HOH 40 540 77 HOH HOH A . 
C 3 HOH 41 541 79 HOH HOH A . 
C 3 HOH 42 542 6  HOH HOH A . 
C 3 HOH 43 543 46 HOH HOH A . 
C 3 HOH 44 544 18 HOH HOH A . 
C 3 HOH 45 545 31 HOH HOH A . 
C 3 HOH 46 546 13 HOH HOH A . 
C 3 HOH 47 547 38 HOH HOH A . 
C 3 HOH 48 548 27 HOH HOH A . 
C 3 HOH 49 549 64 HOH HOH A . 
C 3 HOH 50 550 26 HOH HOH A . 
C 3 HOH 51 551 10 HOH HOH A . 
C 3 HOH 52 552 63 HOH HOH A . 
C 3 HOH 53 553 12 HOH HOH A . 
C 3 HOH 54 554 65 HOH HOH A . 
C 3 HOH 55 555 35 HOH HOH A . 
C 3 HOH 56 556 33 HOH HOH A . 
C 3 HOH 57 557 19 HOH HOH A . 
C 3 HOH 58 558 51 HOH HOH A . 
C 3 HOH 59 559 16 HOH HOH A . 
C 3 HOH 60 560 5  HOH HOH A . 
C 3 HOH 61 561 62 HOH HOH A . 
C 3 HOH 62 562 28 HOH HOH A . 
# 
loop_
_pdbx_unobs_or_zero_occ_atoms.id 
_pdbx_unobs_or_zero_occ_atoms.PDB_model_num 
_pdbx_unobs_or_zero_occ_atoms.polymer_flag 
_pdbx_unobs_or_zero_occ_atoms.occupancy_flag 
_pdbx_unobs_or_zero_occ_atoms.auth_asym_id 
_pdbx_unobs_or_zero_occ_atoms.auth_comp_id 
_pdbx_unobs_or_zero_occ_atoms.auth_seq_id 
_pdbx_unobs_or_zero_occ_atoms.PDB_ins_code 
_pdbx_unobs_or_zero_occ_atoms.auth_atom_id 
_pdbx_unobs_or_zero_occ_atoms.label_alt_id 
_pdbx_unobs_or_zero_occ_atoms.label_asym_id 
_pdbx_unobs_or_zero_occ_atoms.label_comp_id 
_pdbx_unobs_or_zero_occ_atoms.label_seq_id 
_pdbx_unobs_or_zero_occ_atoms.label_atom_id 
1  1 Y 1 A ARG 272 ? CB  ? A ARG 18 CB  
2  1 Y 1 A ARG 272 ? CG  ? A ARG 18 CG  
3  1 Y 1 A ARG 272 ? CD  ? A ARG 18 CD  
4  1 Y 1 A ARG 272 ? NE  ? A ARG 18 NE  
5  1 Y 1 A ARG 272 ? CZ  ? A ARG 18 CZ  
6  1 Y 1 A ARG 272 ? NH1 ? A ARG 18 NH1 
7  1 Y 1 A ARG 272 ? NH2 ? A ARG 18 NH2 
8  1 Y 1 A GLU 303 ? CD  ? A GLU 49 CD  
9  1 Y 1 A GLU 303 ? OE1 ? A GLU 49 OE1 
10 1 Y 1 A GLU 303 ? OE2 ? A GLU 49 OE2 
11 1 Y 1 A ASN 306 ? CG  ? A ASN 52 CG  
12 1 Y 1 A ASN 306 ? OD1 ? A ASN 52 OD1 
13 1 Y 1 A ASN 306 ? ND2 ? A ASN 52 ND2 
# 
loop_
_software.citation_id 
_software.classification 
_software.compiler_name 
_software.compiler_version 
_software.contact_author 
_software.contact_author_email 
_software.date 
_software.description 
_software.dependencies 
_software.hardware 
_software.language 
_software.location 
_software.mods 
_software.name 
_software.os 
_software.os_version 
_software.type 
_software.version 
_software.pdbx_ordinal 
? refinement       ? ? ? ? ? ? ? ? ? ? ? REFMAC   ? ? ? 5.8.0267 1 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? HKL-2000 ? ? ? .        2 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? HKL-2000 ? ? ? .        3 
? phasing          ? ? ? ? ? ? ? ? ? ? ? PHASER   ? ? ? .        4 
# 
_cell.angle_alpha                  90.00 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   90.00 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  120.00 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     9CP6 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     44.584 
_cell.length_a_esd                 ? 
_cell.length_b                     44.584 
_cell.length_b_esd                 ? 
_cell.length_c                     175.704 
_cell.length_c_esd                 ? 
_cell.volume                       ? 
_cell.volume_esd                   ? 
_cell.Z_PDB                        12 
_cell.reciprocal_angle_alpha       ? 
_cell.reciprocal_angle_beta        ? 
_cell.reciprocal_angle_gamma       ? 
_cell.reciprocal_angle_alpha_esd   ? 
_cell.reciprocal_angle_beta_esd    ? 
_cell.reciprocal_angle_gamma_esd   ? 
_cell.reciprocal_length_a          ? 
_cell.reciprocal_length_b          ? 
_cell.reciprocal_length_c          ? 
_cell.reciprocal_length_a_esd      ? 
_cell.reciprocal_length_b_esd      ? 
_cell.reciprocal_length_c_esd      ? 
_cell.pdbx_unique_axis             ? 
_cell.pdbx_esd_method              ? 
# 
_symmetry.entry_id                         9CP6 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                179 
_symmetry.space_group_name_Hall            ? 
_symmetry.space_group_name_H-M             'P 65 2 2' 
_symmetry.pdbx_full_space_group_name_H-M   ? 
# 
_exptl.absorpt_coefficient_mu     ? 
_exptl.absorpt_correction_T_max   ? 
_exptl.absorpt_correction_T_min   ? 
_exptl.absorpt_correction_type    ? 
_exptl.absorpt_process_details    ? 
_exptl.entry_id                   9CP6 
_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             1.87 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          34.25 
_exptl_crystal.description                  ? 
_exptl_crystal.F_000                        ? 
_exptl_crystal.id                           1 
_exptl_crystal.preparation                  ? 
_exptl_crystal.size_max                     ? 
_exptl_crystal.size_mid                     ? 
_exptl_crystal.size_min                     ? 
_exptl_crystal.size_rad                     ? 
_exptl_crystal.colour_lustre                ? 
_exptl_crystal.colour_modifier              ? 
_exptl_crystal.colour_primary               ? 
_exptl_crystal.density_meas                 ? 
_exptl_crystal.density_meas_esd             ? 
_exptl_crystal.density_meas_gt              ? 
_exptl_crystal.density_meas_lt              ? 
_exptl_crystal.density_meas_temp            ? 
_exptl_crystal.density_meas_temp_esd        ? 
_exptl_crystal.density_meas_temp_gt         ? 
_exptl_crystal.density_meas_temp_lt         ? 
_exptl_crystal.pdbx_crystal_image_url       ? 
_exptl_crystal.pdbx_crystal_image_format    ? 
_exptl_crystal.pdbx_mosaicity               ? 
_exptl_crystal.pdbx_mosaicity_esd           ? 
_exptl_crystal.pdbx_mosaic_method           ? 
_exptl_crystal.pdbx_mosaic_block_size       ? 
_exptl_crystal.pdbx_mosaic_block_size_esd   ? 
# 
_exptl_crystal_grow.apparatus       ? 
_exptl_crystal_grow.atmosphere      ? 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.details         ? 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, HANGING DROP' 
_exptl_crystal_grow.method_ref      ? 
_exptl_crystal_grow.pH              6.5 
_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    '0.1 M Hepes, pH 6.5, 1 M Na citrate' 
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            294 
# 
_diffrn.ambient_environment              ? 
_diffrn.ambient_temp                     100 
_diffrn.ambient_temp_details             ? 
_diffrn.ambient_temp_esd                 ? 
_diffrn.crystal_id                       1 
_diffrn.crystal_support                  ? 
_diffrn.crystal_treatment                ? 
_diffrn.details                          ? 
_diffrn.id                               1 
_diffrn.ambient_pressure                 ? 
_diffrn.ambient_pressure_esd             ? 
_diffrn.ambient_pressure_gt              ? 
_diffrn.ambient_pressure_lt              ? 
_diffrn.ambient_temp_gt                  ? 
_diffrn.ambient_temp_lt                  ? 
_diffrn.pdbx_serial_crystal_experiment   N 
# 
_diffrn_detector.details                      ? 
_diffrn_detector.detector                     PIXEL 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         'DECTRIS EIGER2 XE 9M' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2024-06-12 
_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   0.97940 
_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                        'NSLS-II BEAMLINE 19-ID' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        0.97940 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   19-ID 
_diffrn_source.pdbx_synchrotron_site       NSLS-II 
# 
_reflns.B_iso_Wilson_estimate                          ? 
_reflns.entry_id                                       9CP6 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.66 
_reflns.d_resolution_low                               50.00 
_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                                     13210 
_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                           100 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                11.6 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          48 
_reflns.pdbx_res_netI_over_av_sigmaI_2                 ? 
_reflns.pdbx_res_netI_over_sigmaI_2                    ? 
_reflns.pdbx_chi_squared                               ? 
_reflns.pdbx_scaling_rejects                           ? 
_reflns.pdbx_d_res_high_opt                            ? 
_reflns.pdbx_d_res_low_opt                             ? 
_reflns.pdbx_d_res_opt_method                          ? 
_reflns.phase_calculation_details                      ? 
_reflns.pdbx_Rrim_I_all                                ? 
_reflns.pdbx_Rpim_I_all                                ? 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       ? 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   0.998 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              0.073 
_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                                    1.66 
_reflns_shell.d_res_low                                     1.69 
_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                             632 
_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                               10.9 
_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                                  0.939 
_reflns_shell.pdbx_CC_star                                  ? 
_reflns_shell.pdbx_R_split                                  ? 
_reflns_shell.percent_possible_all                          ? 
_reflns_shell.Rmerge_I_all                                  ? 
_reflns_shell.Rmerge_I_obs                                  ? 
_reflns_shell.pdbx_Rsym_value                               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal             ? 
_reflns_shell.pdbx_percent_possible_spherical               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal_anomalous   ? 
_reflns_shell.pdbx_percent_possible_spherical_anomalous     ? 
_reflns_shell.pdbx_redundancy_anomalous                     ? 
_reflns_shell.pdbx_CC_half_anomalous                        ? 
_reflns_shell.pdbx_absDiff_over_sigma_anomalous             ? 
_reflns_shell.pdbx_percent_possible_anomalous               ? 
# 
_refine.aniso_B[1][1]                            0.12 
_refine.aniso_B[1][2]                            0.06 
_refine.aniso_B[1][3]                            -0.00 
_refine.aniso_B[2][2]                            0.12 
_refine.aniso_B[2][3]                            -0.00 
_refine.aniso_B[3][3]                            -0.40 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               22.441 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               0.950 
_refine.correlation_coeff_Fo_to_Fc_free          0.936 
_refine.details                                  'HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS' 
_refine.diff_density_max                         ? 
_refine.diff_density_max_esd                     ? 
_refine.diff_density_min                         ? 
_refine.diff_density_min_esd                     ? 
_refine.diff_density_rms                         ? 
_refine.diff_density_rms_esd                     ? 
_refine.entry_id                                 9CP6 
_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                            1.66 
_refine.ls_d_res_low                             35.00 
_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                     12396 
_refine.ls_number_reflns_R_free                  691 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.81 
_refine.ls_percent_reflns_R_free                 5.3 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.20410 
_refine.ls_R_factor_R_free                       0.23542 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.20240 
_refine.ls_R_Fsqd_factor_obs                     ? 
_refine.ls_R_I_factor_obs                        ? 
_refine.ls_redundancy_reflns_all                 ? 
_refine.ls_redundancy_reflns_obs                 ? 
_refine.ls_restrained_S_all                      ? 
_refine.ls_restrained_S_obs                      ? 
_refine.ls_shift_over_esd_max                    ? 
_refine.ls_shift_over_esd_mean                   ? 
_refine.ls_structure_factor_coef                 ? 
_refine.ls_weighting_details                     ? 
_refine.ls_weighting_scheme                      ? 
_refine.ls_wR_factor_all                         ? 
_refine.ls_wR_factor_obs                         ? 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_wR_factor_R_work                      ? 
_refine.occupancy_max                            ? 
_refine.occupancy_min                            ? 
_refine.solvent_model_details                    MASK 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_R_complete                          ? 
_refine.ls_R_factor_gt                           ? 
_refine.ls_goodness_of_fit_gt                    ? 
_refine.ls_goodness_of_fit_ref                   ? 
_refine.ls_shift_over_su_max                     ? 
_refine.ls_shift_over_su_max_lt                  ? 
_refine.ls_shift_over_su_mean                    ? 
_refine.ls_shift_over_su_mean_lt                 ? 
_refine.pdbx_ls_sigma_I                          ? 
_refine.pdbx_ls_sigma_F                          ? 
_refine.pdbx_ls_sigma_Fsqd                       ? 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.pdbx_ls_cross_valid_method               THROUGHOUT 
_refine.pdbx_method_to_determine_struct          'MOLECULAR REPLACEMENT' 
_refine.pdbx_starting_model                      ? 
_refine.pdbx_stereochemistry_target_values       'MAXIMUM LIKELIHOOD' 
_refine.pdbx_R_Free_selection_details            RANDOM 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_overall_ESU_R                       0.106 
_refine.pdbx_overall_ESU_R_Free                  0.105 
_refine.pdbx_solvent_vdw_probe_radii             1.20 
_refine.pdbx_solvent_ion_probe_radii             0.80 
_refine.pdbx_solvent_shrinkage_radii             0.80 
_refine.pdbx_real_space_R                        ? 
_refine.pdbx_density_correlation                 ? 
_refine.pdbx_pd_number_of_powder_patterns        ? 
_refine.pdbx_pd_number_of_points                 ? 
_refine.pdbx_pd_meas_number_of_points            ? 
_refine.pdbx_pd_proc_ls_prof_R_factor            ? 
_refine.pdbx_pd_proc_ls_prof_wR_factor           ? 
_refine.pdbx_pd_Marquardt_correlation_coeff      ? 
_refine.pdbx_pd_Fsqrd_R_factor                   ? 
_refine.pdbx_pd_ls_matrix_band_width             ? 
_refine.pdbx_overall_phase_error                 ? 
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI   ? 
_refine.pdbx_overall_SU_R_free_Blow_DPI          ? 
_refine.pdbx_overall_SU_R_Blow_DPI               ? 
_refine.pdbx_TLS_residual_ADP_flag               ? 
_refine.pdbx_diffrn_id                           1 
_refine.overall_SU_B                             1.878 
_refine.overall_SU_ML                            0.064 
_refine.overall_SU_R_Cruickshank_DPI             ? 
_refine.overall_SU_R_free                        ? 
_refine.overall_FOM_free_R_set                   ? 
_refine.overall_FOM_work_R_set                   ? 
_refine.pdbx_average_fsc_overall                 ? 
_refine.pdbx_average_fsc_work                    ? 
_refine.pdbx_average_fsc_free                    ? 
# 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.cycle_id                         1 
_refine_hist.details                          ? 
_refine_hist.d_res_high                       1.66 
_refine_hist.d_res_low                        35.00 
_refine_hist.number_atoms_solvent             62 
_refine_hist.number_atoms_total               864 
_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        801 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         1 
_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' ? 0.006  0.013  821  ? r_bond_refined_d             ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.018  760  ? r_bond_other_d               ? ? 
'X-RAY DIFFRACTION' ? 1.368  1.646  1105 ? r_angle_refined_deg          ? ? 
'X-RAY DIFFRACTION' ? 1.376  1.594  1743 ? r_angle_other_deg            ? ? 
'X-RAY DIFFRACTION' ? 5.934  5.000  98   ? r_dihedral_angle_1_deg       ? ? 
'X-RAY DIFFRACTION' ? 34.152 21.702 47   ? r_dihedral_angle_2_deg       ? ? 
'X-RAY DIFFRACTION' ? 11.678 15.000 143  ? r_dihedral_angle_3_deg       ? ? 
'X-RAY DIFFRACTION' ? 12.289 15.000 6    ? r_dihedral_angle_4_deg       ? ? 
'X-RAY DIFFRACTION' ? 0.071  0.200  99   ? r_chiral_restr               ? ? 
'X-RAY DIFFRACTION' ? 0.006  0.020  937  ? r_gen_planes_refined         ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.020  211  ? r_gen_planes_other           ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_nbd_refined                ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_nbd_other                  ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_nbtor_refined              ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_nbtor_other                ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_xyhbond_nbd_refined        ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_xyhbond_nbd_other          ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_metal_ion_refined          ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_metal_ion_other            ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_symmetry_vdw_refined       ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_symmetry_vdw_other         ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_symmetry_hbond_refined     ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_symmetry_hbond_other       ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_symmetry_metal_ion_refined ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_symmetry_metal_ion_other   ? ? 
'X-RAY DIFFRACTION' ? 1.615  2.095  395  ? r_mcbond_it                  ? ? 
'X-RAY DIFFRACTION' ? 1.615  2.089  394  ? r_mcbond_other               ? ? 
'X-RAY DIFFRACTION' ? 2.648  3.131  492  ? r_mcangle_it                 ? ? 
'X-RAY DIFFRACTION' ? 2.645  3.138  493  ? r_mcangle_other              ? ? 
'X-RAY DIFFRACTION' ? 2.366  2.487  425  ? r_scbond_it                  ? ? 
'X-RAY DIFFRACTION' ? 2.364  2.493  426  ? r_scbond_other               ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_scangle_it                 ? ? 
'X-RAY DIFFRACTION' ? 3.895  3.596  613  ? r_scangle_other              ? ? 
'X-RAY DIFFRACTION' ? 6.457  25.169 983  ? r_long_range_B_refined       ? ? 
'X-RAY DIFFRACTION' ? 6.369  24.796 969  ? r_long_range_B_other         ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_rigid_bond_restr           ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_sphericity_free            ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_sphericity_bonded          ? ? 
# 
_refine_ls_shell.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_ls_shell.d_res_high                       1.660 
_refine_ls_shell.d_res_low                        1.703 
_refine_ls_shell.number_reflns_all                ? 
_refine_ls_shell.number_reflns_obs                ? 
_refine_ls_shell.number_reflns_R_free             55 
_refine_ls_shell.number_reflns_R_work             871 
_refine_ls_shell.percent_reflns_obs               100.00 
_refine_ls_shell.percent_reflns_R_free            ? 
_refine_ls_shell.R_factor_all                     ? 
_refine_ls_shell.R_factor_obs                     ? 
_refine_ls_shell.R_factor_R_free_error            ? 
_refine_ls_shell.R_factor_R_work                  0.240 
_refine_ls_shell.redundancy_reflns_all            ? 
_refine_ls_shell.redundancy_reflns_obs            ? 
_refine_ls_shell.wR_factor_all                    ? 
_refine_ls_shell.wR_factor_obs                    ? 
_refine_ls_shell.wR_factor_R_free                 ? 
_refine_ls_shell.wR_factor_R_work                 ? 
_refine_ls_shell.pdbx_R_complete                  ? 
_refine_ls_shell.pdbx_total_number_of_bins_used   20 
_refine_ls_shell.pdbx_phase_error                 ? 
_refine_ls_shell.pdbx_fsc_work                    ? 
_refine_ls_shell.pdbx_fsc_free                    ? 
_refine_ls_shell.R_factor_R_free                  0.228 
# 
_struct.entry_id                     9CP6 
_struct.title                        'Crystal structure of the DNA binding domain of FLI1 (residues 259-371)' 
_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        9CP6 
_struct_keywords.text            'transcription factor, Ewing sarcoma, ETS family, DNA BINDING PROTEIN' 
_struct_keywords.pdbx_keywords   'DNA BINDING PROTEIN' 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 2 ? 
C N N 3 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    FLI1_HUMAN 
_struct_ref.pdbx_db_accession          Q01543 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;QPDPYQILGPTSSRLANPGSGQIQLWQFLLELLSDSANASCITWEGTNGEFKMTDPDEVARRWGERKSKPNMNYDKLSRA
LRYYYDKNIMTKVHGKRYAYKFDFHGIAQALQP
;
_struct_ref.pdbx_align_begin           259 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              9CP6 
_struct_ref_seq.pdbx_strand_id                A 
_struct_ref_seq.seq_align_beg                 5 
_struct_ref_seq.pdbx_seq_align_beg_ins_code   ? 
_struct_ref_seq.seq_align_end                 117 
_struct_ref_seq.pdbx_seq_align_end_ins_code   ? 
_struct_ref_seq.pdbx_db_accession             Q01543 
_struct_ref_seq.db_align_beg                  259 
_struct_ref_seq.pdbx_db_align_beg_ins_code    ? 
_struct_ref_seq.db_align_end                  371 
_struct_ref_seq.pdbx_db_align_end_ins_code    ? 
_struct_ref_seq.pdbx_auth_seq_align_beg       259 
_struct_ref_seq.pdbx_auth_seq_align_end       371 
# 
loop_
_struct_ref_seq_dif.align_id 
_struct_ref_seq_dif.pdbx_pdb_id_code 
_struct_ref_seq_dif.mon_id 
_struct_ref_seq_dif.pdbx_pdb_strand_id 
_struct_ref_seq_dif.seq_num 
_struct_ref_seq_dif.pdbx_pdb_ins_code 
_struct_ref_seq_dif.pdbx_seq_db_name 
_struct_ref_seq_dif.pdbx_seq_db_accession_code 
_struct_ref_seq_dif.db_mon_id 
_struct_ref_seq_dif.pdbx_seq_db_seq_num 
_struct_ref_seq_dif.details 
_struct_ref_seq_dif.pdbx_auth_seq_num 
_struct_ref_seq_dif.pdbx_ordinal 
1 9CP6 GLY A 1 ? UNP Q01543 ? ? 'expression tag' 255 1 
1 9CP6 PRO A 2 ? UNP Q01543 ? ? 'expression tag' 256 2 
1 9CP6 HIS A 3 ? UNP Q01543 ? ? 'expression tag' 257 3 
1 9CP6 MET A 4 ? UNP Q01543 ? ? 'expression tag' 258 4 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_and_software_defined_assembly 
_pdbx_struct_assembly.method_details       PISA 
_pdbx_struct_assembly.oligomeric_details   dimeric 
_pdbx_struct_assembly.oligomeric_count     2 
# 
loop_
_pdbx_struct_assembly_prop.biol_id 
_pdbx_struct_assembly_prop.type 
_pdbx_struct_assembly_prop.value 
_pdbx_struct_assembly_prop.details 
1 'ABSA (A^2)' 1950  ? 
1 MORE         -39   ? 
1 'SSA (A^2)'  10240 ? 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1,2 
_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   'gel filtration' 
_pdbx_struct_assembly_auth_evidence.details                ? 
# 
loop_
_pdbx_struct_oper_list.id 
_pdbx_struct_oper_list.type 
_pdbx_struct_oper_list.name 
_pdbx_struct_oper_list.symmetry_operation 
_pdbx_struct_oper_list.matrix[1][1] 
_pdbx_struct_oper_list.matrix[1][2] 
_pdbx_struct_oper_list.matrix[1][3] 
_pdbx_struct_oper_list.vector[1] 
_pdbx_struct_oper_list.matrix[2][1] 
_pdbx_struct_oper_list.matrix[2][2] 
_pdbx_struct_oper_list.matrix[2][3] 
_pdbx_struct_oper_list.vector[2] 
_pdbx_struct_oper_list.matrix[3][1] 
_pdbx_struct_oper_list.matrix[3][2] 
_pdbx_struct_oper_list.matrix[3][3] 
_pdbx_struct_oper_list.vector[3] 
1 'identity operation'         1_555  x,y,z        1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000  
0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000  0.0000000000   
2 'crystal symmetry operation' 12_554 x,x-y,-z-1/6 0.5000000000 0.8660254038 0.0000000000 0.0000000000 0.8660254038 -0.5000000000 
0.0000000000 0.0000000000 0.0000000000 0.0000000000 -1.0000000000 -29.2840000000 
# 
loop_
_struct_conf.conf_type_id 
_struct_conf.id 
_struct_conf.pdbx_PDB_helix_id 
_struct_conf.beg_label_comp_id 
_struct_conf.beg_label_asym_id 
_struct_conf.beg_label_seq_id 
_struct_conf.pdbx_beg_PDB_ins_code 
_struct_conf.end_label_comp_id 
_struct_conf.end_label_asym_id 
_struct_conf.end_label_seq_id 
_struct_conf.pdbx_end_PDB_ins_code 
_struct_conf.beg_auth_comp_id 
_struct_conf.beg_auth_asym_id 
_struct_conf.beg_auth_seq_id 
_struct_conf.end_auth_comp_id 
_struct_conf.end_auth_asym_id 
_struct_conf.end_auth_seq_id 
_struct_conf.pdbx_PDB_helix_class 
_struct_conf.details 
_struct_conf.pdbx_PDB_helix_length 
HELX_P HELX_P1 AA1 GLN A 28  ? SER A 38  ? GLN A 282 SER A 292 1 ? 11 
HELX_P HELX_P2 AA2 ASP A 39  ? ALA A 43  ? ASP A 293 ALA A 297 5 ? 5  
HELX_P HELX_P3 AA3 ASP A 59  ? SER A 72  ? ASP A 313 SER A 326 1 ? 14 
HELX_P HELX_P4 AA4 ASN A 77  ? TYR A 88  ? ASN A 331 TYR A 342 1 ? 12 
HELX_P HELX_P5 AA5 ASP A 107 ? LEU A 115 ? ASP A 361 LEU A 369 1 ? 9  
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
loop_
_struct_conn.id 
_struct_conn.conn_type_id 
_struct_conn.pdbx_leaving_atom_flag 
_struct_conn.pdbx_PDB_id 
_struct_conn.ptnr1_label_asym_id 
_struct_conn.ptnr1_label_comp_id 
_struct_conn.ptnr1_label_seq_id 
_struct_conn.ptnr1_label_atom_id 
_struct_conn.pdbx_ptnr1_label_alt_id 
_struct_conn.pdbx_ptnr1_PDB_ins_code 
_struct_conn.pdbx_ptnr1_standard_comp_id 
_struct_conn.ptnr1_symmetry 
_struct_conn.ptnr2_label_asym_id 
_struct_conn.ptnr2_label_comp_id 
_struct_conn.ptnr2_label_seq_id 
_struct_conn.ptnr2_label_atom_id 
_struct_conn.pdbx_ptnr2_label_alt_id 
_struct_conn.pdbx_ptnr2_PDB_ins_code 
_struct_conn.ptnr1_auth_asym_id 
_struct_conn.ptnr1_auth_comp_id 
_struct_conn.ptnr1_auth_seq_id 
_struct_conn.ptnr2_auth_asym_id 
_struct_conn.ptnr2_auth_comp_id 
_struct_conn.ptnr2_auth_seq_id 
_struct_conn.ptnr2_symmetry 
_struct_conn.pdbx_ptnr3_label_atom_id 
_struct_conn.pdbx_ptnr3_label_seq_id 
_struct_conn.pdbx_ptnr3_label_comp_id 
_struct_conn.pdbx_ptnr3_label_asym_id 
_struct_conn.pdbx_ptnr3_label_alt_id 
_struct_conn.pdbx_ptnr3_PDB_ins_code 
_struct_conn.details 
_struct_conn.pdbx_dist_value 
_struct_conn.pdbx_value_order 
_struct_conn.pdbx_role 
metalc1 metalc ? ? A GLU 35 OE1 ? ? ? 1_555 B NA  . NA ? ? A GLU 289 A NA  401 1_555 ? ? ? ? ? ? ? 2.412 ? ? 
metalc2 metalc ? ? B NA  .  NA  ? ? ? 1_555 C HOH . O  ? ? A NA  401 A HOH 532 1_555 ? ? ? ? ? ? ? 2.313 ? ? 
# 
_struct_conn_type.id          metalc 
_struct_conn_type.criteria    ? 
_struct_conn_type.reference   ? 
# 
_pdbx_struct_conn_angle.id                    1 
_pdbx_struct_conn_angle.ptnr1_label_atom_id   OE1 
_pdbx_struct_conn_angle.ptnr1_label_alt_id    ? 
_pdbx_struct_conn_angle.ptnr1_label_asym_id   A 
_pdbx_struct_conn_angle.ptnr1_label_comp_id   GLU 
_pdbx_struct_conn_angle.ptnr1_label_seq_id    35 
_pdbx_struct_conn_angle.ptnr1_auth_atom_id    ? 
_pdbx_struct_conn_angle.ptnr1_auth_asym_id    A 
_pdbx_struct_conn_angle.ptnr1_auth_comp_id    GLU 
_pdbx_struct_conn_angle.ptnr1_auth_seq_id     289 
_pdbx_struct_conn_angle.ptnr1_PDB_ins_code    ? 
_pdbx_struct_conn_angle.ptnr1_symmetry        1_555 
_pdbx_struct_conn_angle.ptnr2_label_atom_id   NA 
_pdbx_struct_conn_angle.ptnr2_label_alt_id    ? 
_pdbx_struct_conn_angle.ptnr2_label_asym_id   B 
_pdbx_struct_conn_angle.ptnr2_label_comp_id   NA 
_pdbx_struct_conn_angle.ptnr2_label_seq_id    . 
_pdbx_struct_conn_angle.ptnr2_auth_atom_id    ? 
_pdbx_struct_conn_angle.ptnr2_auth_asym_id    A 
_pdbx_struct_conn_angle.ptnr2_auth_comp_id    NA 
_pdbx_struct_conn_angle.ptnr2_auth_seq_id     401 
_pdbx_struct_conn_angle.ptnr2_PDB_ins_code    ? 
_pdbx_struct_conn_angle.ptnr2_symmetry        1_555 
_pdbx_struct_conn_angle.ptnr3_label_atom_id   O 
_pdbx_struct_conn_angle.ptnr3_label_alt_id    ? 
_pdbx_struct_conn_angle.ptnr3_label_asym_id   C 
_pdbx_struct_conn_angle.ptnr3_label_comp_id   HOH 
_pdbx_struct_conn_angle.ptnr3_label_seq_id    . 
_pdbx_struct_conn_angle.ptnr3_auth_atom_id    ? 
_pdbx_struct_conn_angle.ptnr3_auth_asym_id    A 
_pdbx_struct_conn_angle.ptnr3_auth_comp_id    HOH 
_pdbx_struct_conn_angle.ptnr3_auth_seq_id     532 
_pdbx_struct_conn_angle.ptnr3_PDB_ins_code    ? 
_pdbx_struct_conn_angle.ptnr3_symmetry        1_555 
_pdbx_struct_conn_angle.value                 166.4 
_pdbx_struct_conn_angle.value_esd             ? 
# 
_struct_sheet.id               AA1 
_struct_sheet.type             ? 
_struct_sheet.number_strands   4 
_struct_sheet.details          ? 
# 
loop_
_struct_sheet_order.sheet_id 
_struct_sheet_order.range_id_1 
_struct_sheet_order.range_id_2 
_struct_sheet_order.offset 
_struct_sheet_order.sense 
AA1 1 2 ? anti-parallel 
AA1 2 3 ? anti-parallel 
AA1 3 4 ? anti-parallel 
# 
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 THR A 47  ? TRP A 48  ? THR A 301 TRP A 302 
AA1 2 GLU A 54  ? LYS A 56  ? GLU A 308 LYS A 310 
AA1 3 ALA A 103 ? PHE A 106 ? ALA A 357 PHE A 360 
AA1 4 MET A 94  ? LYS A 96  ? MET A 348 LYS A 350 
# 
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 THR A 47  ? N THR A 301 O LYS A 56  ? O LYS A 310 
AA1 2 3 N PHE A 55  ? N PHE A 309 O TYR A 104 ? O TYR A 358 
AA1 3 4 O LYS A 105 ? O LYS A 359 N THR A 95  ? N THR A 349 
# 
_pdbx_entry_details.entry_id                   9CP6 
_pdbx_entry_details.has_ligand_of_interest     N 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.has_protein_modification   N 
# 
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 541 ? C HOH . 
2 1 A HOH 549 ? C HOH . 
# 
loop_
_pdbx_unobs_or_zero_occ_residues.id 
_pdbx_unobs_or_zero_occ_residues.PDB_model_num 
_pdbx_unobs_or_zero_occ_residues.polymer_flag 
_pdbx_unobs_or_zero_occ_residues.occupancy_flag 
_pdbx_unobs_or_zero_occ_residues.auth_asym_id 
_pdbx_unobs_or_zero_occ_residues.auth_comp_id 
_pdbx_unobs_or_zero_occ_residues.auth_seq_id 
_pdbx_unobs_or_zero_occ_residues.PDB_ins_code 
_pdbx_unobs_or_zero_occ_residues.label_asym_id 
_pdbx_unobs_or_zero_occ_residues.label_comp_id 
_pdbx_unobs_or_zero_occ_residues.label_seq_id 
1  1 Y 1 A GLY 255 ? A GLY 1   
2  1 Y 1 A PRO 256 ? A PRO 2   
3  1 Y 1 A HIS 257 ? A HIS 3   
4  1 Y 1 A MET 258 ? A MET 4   
5  1 Y 1 A GLN 259 ? A GLN 5   
6  1 Y 1 A PRO 260 ? A PRO 6   
7  1 Y 1 A ASP 261 ? A ASP 7   
8  1 Y 1 A PRO 262 ? A PRO 8   
9  1 Y 1 A TYR 263 ? A TYR 9   
10 1 Y 1 A GLN 264 ? A GLN 10  
11 1 Y 1 A ILE 265 ? A ILE 11  
12 1 Y 1 A LEU 266 ? A LEU 12  
13 1 Y 1 A GLY 267 ? A GLY 13  
14 1 Y 1 A PRO 268 ? A PRO 14  
15 1 Y 1 A THR 269 ? A THR 15  
16 1 Y 1 A SER 270 ? A SER 16  
17 1 Y 1 A SER 271 ? A SER 17  
18 1 Y 1 A PRO 371 ? A PRO 117 
# 
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.pdbx_ordinal 
ALA N    N  N N 1   
ALA CA   C  N S 2   
ALA C    C  N N 3   
ALA O    O  N N 4   
ALA CB   C  N N 5   
ALA OXT  O  N N 6   
ALA H    H  N N 7   
ALA H2   H  N N 8   
ALA HA   H  N N 9   
ALA HB1  H  N N 10  
ALA HB2  H  N N 11  
ALA HB3  H  N N 12  
ALA HXT  H  N N 13  
ARG N    N  N N 14  
ARG CA   C  N S 15  
ARG C    C  N N 16  
ARG O    O  N N 17  
ARG CB   C  N N 18  
ARG CG   C  N N 19  
ARG CD   C  N N 20  
ARG NE   N  N N 21  
ARG CZ   C  N N 22  
ARG NH1  N  N N 23  
ARG NH2  N  N N 24  
ARG OXT  O  N N 25  
ARG H    H  N N 26  
ARG H2   H  N N 27  
ARG HA   H  N N 28  
ARG HB2  H  N N 29  
ARG HB3  H  N N 30  
ARG HG2  H  N N 31  
ARG HG3  H  N N 32  
ARG HD2  H  N N 33  
ARG HD3  H  N N 34  
ARG HE   H  N N 35  
ARG HH11 H  N N 36  
ARG HH12 H  N N 37  
ARG HH21 H  N N 38  
ARG HH22 H  N N 39  
ARG HXT  H  N N 40  
ASN N    N  N N 41  
ASN CA   C  N S 42  
ASN C    C  N N 43  
ASN O    O  N N 44  
ASN CB   C  N N 45  
ASN CG   C  N N 46  
ASN OD1  O  N N 47  
ASN ND2  N  N N 48  
ASN OXT  O  N N 49  
ASN H    H  N N 50  
ASN H2   H  N N 51  
ASN HA   H  N N 52  
ASN HB2  H  N N 53  
ASN HB3  H  N N 54  
ASN HD21 H  N N 55  
ASN HD22 H  N N 56  
ASN HXT  H  N N 57  
ASP N    N  N N 58  
ASP CA   C  N S 59  
ASP C    C  N N 60  
ASP O    O  N N 61  
ASP CB   C  N N 62  
ASP CG   C  N N 63  
ASP OD1  O  N N 64  
ASP OD2  O  N N 65  
ASP OXT  O  N N 66  
ASP H    H  N N 67  
ASP H2   H  N N 68  
ASP HA   H  N N 69  
ASP HB2  H  N N 70  
ASP HB3  H  N N 71  
ASP HD2  H  N N 72  
ASP HXT  H  N N 73  
CYS N    N  N N 74  
CYS CA   C  N R 75  
CYS C    C  N N 76  
CYS O    O  N N 77  
CYS CB   C  N N 78  
CYS SG   S  N N 79  
CYS OXT  O  N N 80  
CYS H    H  N N 81  
CYS H2   H  N N 82  
CYS HA   H  N N 83  
CYS HB2  H  N N 84  
CYS HB3  H  N N 85  
CYS HG   H  N N 86  
CYS HXT  H  N N 87  
GLN N    N  N N 88  
GLN CA   C  N S 89  
GLN C    C  N N 90  
GLN O    O  N N 91  
GLN CB   C  N N 92  
GLN CG   C  N N 93  
GLN CD   C  N N 94  
GLN OE1  O  N N 95  
GLN NE2  N  N N 96  
GLN OXT  O  N N 97  
GLN H    H  N N 98  
GLN H2   H  N N 99  
GLN HA   H  N N 100 
GLN HB2  H  N N 101 
GLN HB3  H  N N 102 
GLN HG2  H  N N 103 
GLN HG3  H  N N 104 
GLN HE21 H  N N 105 
GLN HE22 H  N N 106 
GLN HXT  H  N N 107 
GLU N    N  N N 108 
GLU CA   C  N S 109 
GLU C    C  N N 110 
GLU O    O  N N 111 
GLU CB   C  N N 112 
GLU CG   C  N N 113 
GLU CD   C  N N 114 
GLU OE1  O  N N 115 
GLU OE2  O  N N 116 
GLU OXT  O  N N 117 
GLU H    H  N N 118 
GLU H2   H  N N 119 
GLU HA   H  N N 120 
GLU HB2  H  N N 121 
GLU HB3  H  N N 122 
GLU HG2  H  N N 123 
GLU HG3  H  N N 124 
GLU HE2  H  N N 125 
GLU HXT  H  N N 126 
GLY N    N  N N 127 
GLY CA   C  N N 128 
GLY C    C  N N 129 
GLY O    O  N N 130 
GLY OXT  O  N N 131 
GLY H    H  N N 132 
GLY H2   H  N N 133 
GLY HA2  H  N N 134 
GLY HA3  H  N N 135 
GLY HXT  H  N N 136 
HIS N    N  N N 137 
HIS CA   C  N S 138 
HIS C    C  N N 139 
HIS O    O  N N 140 
HIS CB   C  N N 141 
HIS CG   C  Y N 142 
HIS ND1  N  Y N 143 
HIS CD2  C  Y N 144 
HIS CE1  C  Y N 145 
HIS NE2  N  Y N 146 
HIS OXT  O  N N 147 
HIS H    H  N N 148 
HIS H2   H  N N 149 
HIS HA   H  N N 150 
HIS HB2  H  N N 151 
HIS HB3  H  N N 152 
HIS HD1  H  N N 153 
HIS HD2  H  N N 154 
HIS HE1  H  N N 155 
HIS HE2  H  N N 156 
HIS HXT  H  N N 157 
HOH O    O  N N 158 
HOH H1   H  N N 159 
HOH H2   H  N N 160 
ILE N    N  N N 161 
ILE CA   C  N S 162 
ILE C    C  N N 163 
ILE O    O  N N 164 
ILE CB   C  N S 165 
ILE CG1  C  N N 166 
ILE CG2  C  N N 167 
ILE CD1  C  N N 168 
ILE OXT  O  N N 169 
ILE H    H  N N 170 
ILE H2   H  N N 171 
ILE HA   H  N N 172 
ILE HB   H  N N 173 
ILE HG12 H  N N 174 
ILE HG13 H  N N 175 
ILE HG21 H  N N 176 
ILE HG22 H  N N 177 
ILE HG23 H  N N 178 
ILE HD11 H  N N 179 
ILE HD12 H  N N 180 
ILE HD13 H  N N 181 
ILE HXT  H  N N 182 
LEU N    N  N N 183 
LEU CA   C  N S 184 
LEU C    C  N N 185 
LEU O    O  N N 186 
LEU CB   C  N N 187 
LEU CG   C  N N 188 
LEU CD1  C  N N 189 
LEU CD2  C  N N 190 
LEU OXT  O  N N 191 
LEU H    H  N N 192 
LEU H2   H  N N 193 
LEU HA   H  N N 194 
LEU HB2  H  N N 195 
LEU HB3  H  N N 196 
LEU HG   H  N N 197 
LEU HD11 H  N N 198 
LEU HD12 H  N N 199 
LEU HD13 H  N N 200 
LEU HD21 H  N N 201 
LEU HD22 H  N N 202 
LEU HD23 H  N N 203 
LEU HXT  H  N N 204 
LYS N    N  N N 205 
LYS CA   C  N S 206 
LYS C    C  N N 207 
LYS O    O  N N 208 
LYS CB   C  N N 209 
LYS CG   C  N N 210 
LYS CD   C  N N 211 
LYS CE   C  N N 212 
LYS NZ   N  N N 213 
LYS OXT  O  N N 214 
LYS H    H  N N 215 
LYS H2   H  N N 216 
LYS HA   H  N N 217 
LYS HB2  H  N N 218 
LYS HB3  H  N N 219 
LYS HG2  H  N N 220 
LYS HG3  H  N N 221 
LYS HD2  H  N N 222 
LYS HD3  H  N N 223 
LYS HE2  H  N N 224 
LYS HE3  H  N N 225 
LYS HZ1  H  N N 226 
LYS HZ2  H  N N 227 
LYS HZ3  H  N N 228 
LYS HXT  H  N N 229 
MET N    N  N N 230 
MET CA   C  N S 231 
MET C    C  N N 232 
MET O    O  N N 233 
MET CB   C  N N 234 
MET CG   C  N N 235 
MET SD   S  N N 236 
MET CE   C  N N 237 
MET OXT  O  N N 238 
MET H    H  N N 239 
MET H2   H  N N 240 
MET HA   H  N N 241 
MET HB2  H  N N 242 
MET HB3  H  N N 243 
MET HG2  H  N N 244 
MET HG3  H  N N 245 
MET HE1  H  N N 246 
MET HE2  H  N N 247 
MET HE3  H  N N 248 
MET HXT  H  N N 249 
NA  NA   NA N N 250 
PHE N    N  N N 251 
PHE CA   C  N S 252 
PHE C    C  N N 253 
PHE O    O  N N 254 
PHE CB   C  N N 255 
PHE CG   C  Y N 256 
PHE CD1  C  Y N 257 
PHE CD2  C  Y N 258 
PHE CE1  C  Y N 259 
PHE CE2  C  Y N 260 
PHE CZ   C  Y N 261 
PHE OXT  O  N N 262 
PHE H    H  N N 263 
PHE H2   H  N N 264 
PHE HA   H  N N 265 
PHE HB2  H  N N 266 
PHE HB3  H  N N 267 
PHE HD1  H  N N 268 
PHE HD2  H  N N 269 
PHE HE1  H  N N 270 
PHE HE2  H  N N 271 
PHE HZ   H  N N 272 
PHE HXT  H  N N 273 
PRO N    N  N N 274 
PRO CA   C  N S 275 
PRO C    C  N N 276 
PRO O    O  N N 277 
PRO CB   C  N N 278 
PRO CG   C  N N 279 
PRO CD   C  N N 280 
PRO OXT  O  N N 281 
PRO H    H  N N 282 
PRO HA   H  N N 283 
PRO HB2  H  N N 284 
PRO HB3  H  N N 285 
PRO HG2  H  N N 286 
PRO HG3  H  N N 287 
PRO HD2  H  N N 288 
PRO HD3  H  N N 289 
PRO HXT  H  N N 290 
SER N    N  N N 291 
SER CA   C  N S 292 
SER C    C  N N 293 
SER O    O  N N 294 
SER CB   C  N N 295 
SER OG   O  N N 296 
SER OXT  O  N N 297 
SER H    H  N N 298 
SER H2   H  N N 299 
SER HA   H  N N 300 
SER HB2  H  N N 301 
SER HB3  H  N N 302 
SER HG   H  N N 303 
SER HXT  H  N N 304 
THR N    N  N N 305 
THR CA   C  N S 306 
THR C    C  N N 307 
THR O    O  N N 308 
THR CB   C  N R 309 
THR OG1  O  N N 310 
THR CG2  C  N N 311 
THR OXT  O  N N 312 
THR H    H  N N 313 
THR H2   H  N N 314 
THR HA   H  N N 315 
THR HB   H  N N 316 
THR HG1  H  N N 317 
THR HG21 H  N N 318 
THR HG22 H  N N 319 
THR HG23 H  N N 320 
THR HXT  H  N N 321 
TRP N    N  N N 322 
TRP CA   C  N S 323 
TRP C    C  N N 324 
TRP O    O  N N 325 
TRP CB   C  N N 326 
TRP CG   C  Y N 327 
TRP CD1  C  Y N 328 
TRP CD2  C  Y N 329 
TRP NE1  N  Y N 330 
TRP CE2  C  Y N 331 
TRP CE3  C  Y N 332 
TRP CZ2  C  Y N 333 
TRP CZ3  C  Y N 334 
TRP CH2  C  Y N 335 
TRP OXT  O  N N 336 
TRP H    H  N N 337 
TRP H2   H  N N 338 
TRP HA   H  N N 339 
TRP HB2  H  N N 340 
TRP HB3  H  N N 341 
TRP HD1  H  N N 342 
TRP HE1  H  N N 343 
TRP HE3  H  N N 344 
TRP HZ2  H  N N 345 
TRP HZ3  H  N N 346 
TRP HH2  H  N N 347 
TRP HXT  H  N N 348 
TYR N    N  N N 349 
TYR CA   C  N S 350 
TYR C    C  N N 351 
TYR O    O  N N 352 
TYR CB   C  N N 353 
TYR CG   C  Y N 354 
TYR CD1  C  Y N 355 
TYR CD2  C  Y N 356 
TYR CE1  C  Y N 357 
TYR CE2  C  Y N 358 
TYR CZ   C  Y N 359 
TYR OH   O  N N 360 
TYR OXT  O  N N 361 
TYR H    H  N N 362 
TYR H2   H  N N 363 
TYR HA   H  N N 364 
TYR HB2  H  N N 365 
TYR HB3  H  N N 366 
TYR HD1  H  N N 367 
TYR HD2  H  N N 368 
TYR HE1  H  N N 369 
TYR HE2  H  N N 370 
TYR HH   H  N N 371 
TYR HXT  H  N N 372 
VAL N    N  N N 373 
VAL CA   C  N S 374 
VAL C    C  N N 375 
VAL O    O  N N 376 
VAL CB   C  N N 377 
VAL CG1  C  N N 378 
VAL CG2  C  N N 379 
VAL OXT  O  N N 380 
VAL H    H  N N 381 
VAL H2   H  N N 382 
VAL HA   H  N N 383 
VAL HB   H  N N 384 
VAL HG11 H  N N 385 
VAL HG12 H  N N 386 
VAL HG13 H  N N 387 
VAL HG21 H  N N 388 
VAL HG22 H  N N 389 
VAL HG23 H  N N 390 
VAL HXT  H  N N 391 
# 
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal 
ALA N   CA   sing N N 1   
ALA N   H    sing N N 2   
ALA N   H2   sing N N 3   
ALA CA  C    sing N N 4   
ALA CA  CB   sing N N 5   
ALA CA  HA   sing N N 6   
ALA C   O    doub N N 7   
ALA C   OXT  sing N N 8   
ALA CB  HB1  sing N N 9   
ALA CB  HB2  sing N N 10  
ALA CB  HB3  sing N N 11  
ALA OXT HXT  sing N N 12  
ARG N   CA   sing N N 13  
ARG N   H    sing N N 14  
ARG N   H2   sing N N 15  
ARG CA  C    sing N N 16  
ARG CA  CB   sing N N 17  
ARG CA  HA   sing N N 18  
ARG C   O    doub N N 19  
ARG C   OXT  sing N N 20  
ARG CB  CG   sing N N 21  
ARG CB  HB2  sing N N 22  
ARG CB  HB3  sing N N 23  
ARG CG  CD   sing N N 24  
ARG CG  HG2  sing N N 25  
ARG CG  HG3  sing N N 26  
ARG CD  NE   sing N N 27  
ARG CD  HD2  sing N N 28  
ARG CD  HD3  sing N N 29  
ARG NE  CZ   sing N N 30  
ARG NE  HE   sing N N 31  
ARG CZ  NH1  sing N N 32  
ARG CZ  NH2  doub N N 33  
ARG NH1 HH11 sing N N 34  
ARG NH1 HH12 sing N N 35  
ARG NH2 HH21 sing N N 36  
ARG NH2 HH22 sing N N 37  
ARG OXT HXT  sing N N 38  
ASN N   CA   sing N N 39  
ASN N   H    sing N N 40  
ASN N   H2   sing N N 41  
ASN CA  C    sing N N 42  
ASN CA  CB   sing N N 43  
ASN CA  HA   sing N N 44  
ASN C   O    doub N N 45  
ASN C   OXT  sing N N 46  
ASN CB  CG   sing N N 47  
ASN CB  HB2  sing N N 48  
ASN CB  HB3  sing N N 49  
ASN CG  OD1  doub N N 50  
ASN CG  ND2  sing N N 51  
ASN ND2 HD21 sing N N 52  
ASN ND2 HD22 sing N N 53  
ASN OXT HXT  sing N N 54  
ASP N   CA   sing N N 55  
ASP N   H    sing N N 56  
ASP N   H2   sing N N 57  
ASP CA  C    sing N N 58  
ASP CA  CB   sing N N 59  
ASP CA  HA   sing N N 60  
ASP C   O    doub N N 61  
ASP C   OXT  sing N N 62  
ASP CB  CG   sing N N 63  
ASP CB  HB2  sing N N 64  
ASP CB  HB3  sing N N 65  
ASP CG  OD1  doub N N 66  
ASP CG  OD2  sing N N 67  
ASP OD2 HD2  sing N N 68  
ASP OXT HXT  sing N N 69  
CYS N   CA   sing N N 70  
CYS N   H    sing N N 71  
CYS N   H2   sing N N 72  
CYS CA  C    sing N N 73  
CYS CA  CB   sing N N 74  
CYS CA  HA   sing N N 75  
CYS C   O    doub N N 76  
CYS C   OXT  sing N N 77  
CYS CB  SG   sing N N 78  
CYS CB  HB2  sing N N 79  
CYS CB  HB3  sing N N 80  
CYS SG  HG   sing N N 81  
CYS OXT HXT  sing N N 82  
GLN N   CA   sing N N 83  
GLN N   H    sing N N 84  
GLN N   H2   sing N N 85  
GLN CA  C    sing N N 86  
GLN CA  CB   sing N N 87  
GLN CA  HA   sing N N 88  
GLN C   O    doub N N 89  
GLN C   OXT  sing N N 90  
GLN CB  CG   sing N N 91  
GLN CB  HB2  sing N N 92  
GLN CB  HB3  sing N N 93  
GLN CG  CD   sing N N 94  
GLN CG  HG2  sing N N 95  
GLN CG  HG3  sing N N 96  
GLN CD  OE1  doub N N 97  
GLN CD  NE2  sing N N 98  
GLN NE2 HE21 sing N N 99  
GLN NE2 HE22 sing N N 100 
GLN OXT HXT  sing N N 101 
GLU N   CA   sing N N 102 
GLU N   H    sing N N 103 
GLU N   H2   sing N N 104 
GLU CA  C    sing N N 105 
GLU CA  CB   sing N N 106 
GLU CA  HA   sing N N 107 
GLU C   O    doub N N 108 
GLU C   OXT  sing N N 109 
GLU CB  CG   sing N N 110 
GLU CB  HB2  sing N N 111 
GLU CB  HB3  sing N N 112 
GLU CG  CD   sing N N 113 
GLU CG  HG2  sing N N 114 
GLU CG  HG3  sing N N 115 
GLU CD  OE1  doub N N 116 
GLU CD  OE2  sing N N 117 
GLU OE2 HE2  sing N N 118 
GLU OXT HXT  sing N N 119 
GLY N   CA   sing N N 120 
GLY N   H    sing N N 121 
GLY N   H2   sing N N 122 
GLY CA  C    sing N N 123 
GLY CA  HA2  sing N N 124 
GLY CA  HA3  sing N N 125 
GLY C   O    doub N N 126 
GLY C   OXT  sing N N 127 
GLY OXT HXT  sing N N 128 
HIS N   CA   sing N N 129 
HIS N   H    sing N N 130 
HIS N   H2   sing N N 131 
HIS CA  C    sing N N 132 
HIS CA  CB   sing N N 133 
HIS CA  HA   sing N N 134 
HIS C   O    doub N N 135 
HIS C   OXT  sing N N 136 
HIS CB  CG   sing N N 137 
HIS CB  HB2  sing N N 138 
HIS CB  HB3  sing N N 139 
HIS CG  ND1  sing Y N 140 
HIS CG  CD2  doub Y N 141 
HIS ND1 CE1  doub Y N 142 
HIS ND1 HD1  sing N N 143 
HIS CD2 NE2  sing Y N 144 
HIS CD2 HD2  sing N N 145 
HIS CE1 NE2  sing Y N 146 
HIS CE1 HE1  sing N N 147 
HIS NE2 HE2  sing N N 148 
HIS OXT HXT  sing N N 149 
HOH O   H1   sing N N 150 
HOH O   H2   sing N N 151 
ILE N   CA   sing N N 152 
ILE N   H    sing N N 153 
ILE N   H2   sing N N 154 
ILE CA  C    sing N N 155 
ILE CA  CB   sing N N 156 
ILE CA  HA   sing N N 157 
ILE C   O    doub N N 158 
ILE C   OXT  sing N N 159 
ILE CB  CG1  sing N N 160 
ILE CB  CG2  sing N N 161 
ILE CB  HB   sing N N 162 
ILE CG1 CD1  sing N N 163 
ILE CG1 HG12 sing N N 164 
ILE CG1 HG13 sing N N 165 
ILE CG2 HG21 sing N N 166 
ILE CG2 HG22 sing N N 167 
ILE CG2 HG23 sing N N 168 
ILE CD1 HD11 sing N N 169 
ILE CD1 HD12 sing N N 170 
ILE CD1 HD13 sing N N 171 
ILE OXT HXT  sing N N 172 
LEU N   CA   sing N N 173 
LEU N   H    sing N N 174 
LEU N   H2   sing N N 175 
LEU CA  C    sing N N 176 
LEU CA  CB   sing N N 177 
LEU CA  HA   sing N N 178 
LEU C   O    doub N N 179 
LEU C   OXT  sing N N 180 
LEU CB  CG   sing N N 181 
LEU CB  HB2  sing N N 182 
LEU CB  HB3  sing N N 183 
LEU CG  CD1  sing N N 184 
LEU CG  CD2  sing N N 185 
LEU CG  HG   sing N N 186 
LEU CD1 HD11 sing N N 187 
LEU CD1 HD12 sing N N 188 
LEU CD1 HD13 sing N N 189 
LEU CD2 HD21 sing N N 190 
LEU CD2 HD22 sing N N 191 
LEU CD2 HD23 sing N N 192 
LEU OXT HXT  sing N N 193 
LYS N   CA   sing N N 194 
LYS N   H    sing N N 195 
LYS N   H2   sing N N 196 
LYS CA  C    sing N N 197 
LYS CA  CB   sing N N 198 
LYS CA  HA   sing N N 199 
LYS C   O    doub N N 200 
LYS C   OXT  sing N N 201 
LYS CB  CG   sing N N 202 
LYS CB  HB2  sing N N 203 
LYS CB  HB3  sing N N 204 
LYS CG  CD   sing N N 205 
LYS CG  HG2  sing N N 206 
LYS CG  HG3  sing N N 207 
LYS CD  CE   sing N N 208 
LYS CD  HD2  sing N N 209 
LYS CD  HD3  sing N N 210 
LYS CE  NZ   sing N N 211 
LYS CE  HE2  sing N N 212 
LYS CE  HE3  sing N N 213 
LYS NZ  HZ1  sing N N 214 
LYS NZ  HZ2  sing N N 215 
LYS NZ  HZ3  sing N N 216 
LYS OXT HXT  sing N N 217 
MET N   CA   sing N N 218 
MET N   H    sing N N 219 
MET N   H2   sing N N 220 
MET CA  C    sing N N 221 
MET CA  CB   sing N N 222 
MET CA  HA   sing N N 223 
MET C   O    doub N N 224 
MET C   OXT  sing N N 225 
MET CB  CG   sing N N 226 
MET CB  HB2  sing N N 227 
MET CB  HB3  sing N N 228 
MET CG  SD   sing N N 229 
MET CG  HG2  sing N N 230 
MET CG  HG3  sing N N 231 
MET SD  CE   sing N N 232 
MET CE  HE1  sing N N 233 
MET CE  HE2  sing N N 234 
MET CE  HE3  sing N N 235 
MET OXT HXT  sing N N 236 
PHE N   CA   sing N N 237 
PHE N   H    sing N N 238 
PHE N   H2   sing N N 239 
PHE CA  C    sing N N 240 
PHE CA  CB   sing N N 241 
PHE CA  HA   sing N N 242 
PHE C   O    doub N N 243 
PHE C   OXT  sing N N 244 
PHE CB  CG   sing N N 245 
PHE CB  HB2  sing N N 246 
PHE CB  HB3  sing N N 247 
PHE CG  CD1  doub Y N 248 
PHE CG  CD2  sing Y N 249 
PHE CD1 CE1  sing Y N 250 
PHE CD1 HD1  sing N N 251 
PHE CD2 CE2  doub Y N 252 
PHE CD2 HD2  sing N N 253 
PHE CE1 CZ   doub Y N 254 
PHE CE1 HE1  sing N N 255 
PHE CE2 CZ   sing Y N 256 
PHE CE2 HE2  sing N N 257 
PHE CZ  HZ   sing N N 258 
PHE OXT HXT  sing N N 259 
PRO N   CA   sing N N 260 
PRO N   CD   sing N N 261 
PRO N   H    sing N N 262 
PRO CA  C    sing N N 263 
PRO CA  CB   sing N N 264 
PRO CA  HA   sing N N 265 
PRO C   O    doub N N 266 
PRO C   OXT  sing N N 267 
PRO CB  CG   sing N N 268 
PRO CB  HB2  sing N N 269 
PRO CB  HB3  sing N N 270 
PRO CG  CD   sing N N 271 
PRO CG  HG2  sing N N 272 
PRO CG  HG3  sing N N 273 
PRO CD  HD2  sing N N 274 
PRO CD  HD3  sing N N 275 
PRO OXT HXT  sing N N 276 
SER N   CA   sing N N 277 
SER N   H    sing N N 278 
SER N   H2   sing N N 279 
SER CA  C    sing N N 280 
SER CA  CB   sing N N 281 
SER CA  HA   sing N N 282 
SER C   O    doub N N 283 
SER C   OXT  sing N N 284 
SER CB  OG   sing N N 285 
SER CB  HB2  sing N N 286 
SER CB  HB3  sing N N 287 
SER OG  HG   sing N N 288 
SER OXT HXT  sing N N 289 
THR N   CA   sing N N 290 
THR N   H    sing N N 291 
THR N   H2   sing N N 292 
THR CA  C    sing N N 293 
THR CA  CB   sing N N 294 
THR CA  HA   sing N N 295 
THR C   O    doub N N 296 
THR C   OXT  sing N N 297 
THR CB  OG1  sing N N 298 
THR CB  CG2  sing N N 299 
THR CB  HB   sing N N 300 
THR OG1 HG1  sing N N 301 
THR CG2 HG21 sing N N 302 
THR CG2 HG22 sing N N 303 
THR CG2 HG23 sing N N 304 
THR OXT HXT  sing N N 305 
TRP N   CA   sing N N 306 
TRP N   H    sing N N 307 
TRP N   H2   sing N N 308 
TRP CA  C    sing N N 309 
TRP CA  CB   sing N N 310 
TRP CA  HA   sing N N 311 
TRP C   O    doub N N 312 
TRP C   OXT  sing N N 313 
TRP CB  CG   sing N N 314 
TRP CB  HB2  sing N N 315 
TRP CB  HB3  sing N N 316 
TRP CG  CD1  doub Y N 317 
TRP CG  CD2  sing Y N 318 
TRP CD1 NE1  sing Y N 319 
TRP CD1 HD1  sing N N 320 
TRP CD2 CE2  doub Y N 321 
TRP CD2 CE3  sing Y N 322 
TRP NE1 CE2  sing Y N 323 
TRP NE1 HE1  sing N N 324 
TRP CE2 CZ2  sing Y N 325 
TRP CE3 CZ3  doub Y N 326 
TRP CE3 HE3  sing N N 327 
TRP CZ2 CH2  doub Y N 328 
TRP CZ2 HZ2  sing N N 329 
TRP CZ3 CH2  sing Y N 330 
TRP CZ3 HZ3  sing N N 331 
TRP CH2 HH2  sing N N 332 
TRP OXT HXT  sing N N 333 
TYR N   CA   sing N N 334 
TYR N   H    sing N N 335 
TYR N   H2   sing N N 336 
TYR CA  C    sing N N 337 
TYR CA  CB   sing N N 338 
TYR CA  HA   sing N N 339 
TYR C   O    doub N N 340 
TYR C   OXT  sing N N 341 
TYR CB  CG   sing N N 342 
TYR CB  HB2  sing N N 343 
TYR CB  HB3  sing N N 344 
TYR CG  CD1  doub Y N 345 
TYR CG  CD2  sing Y N 346 
TYR CD1 CE1  sing Y N 347 
TYR CD1 HD1  sing N N 348 
TYR CD2 CE2  doub Y N 349 
TYR CD2 HD2  sing N N 350 
TYR CE1 CZ   doub Y N 351 
TYR CE1 HE1  sing N N 352 
TYR CE2 CZ   sing Y N 353 
TYR CE2 HE2  sing N N 354 
TYR CZ  OH   sing N N 355 
TYR OH  HH   sing N N 356 
TYR OXT HXT  sing N N 357 
VAL N   CA   sing N N 358 
VAL N   H    sing N N 359 
VAL N   H2   sing N N 360 
VAL CA  C    sing N N 361 
VAL CA  CB   sing N N 362 
VAL CA  HA   sing N N 363 
VAL C   O    doub N N 364 
VAL C   OXT  sing N N 365 
VAL CB  CG1  sing N N 366 
VAL CB  CG2  sing N N 367 
VAL CB  HB   sing N N 368 
VAL CG1 HG11 sing N N 369 
VAL CG1 HG12 sing N N 370 
VAL CG1 HG13 sing N N 371 
VAL CG2 HG21 sing N N 372 
VAL CG2 HG22 sing N N 373 
VAL CG2 HG23 sing N N 374 
VAL OXT HXT  sing N N 375 
# 
_pdbx_audit_support.funding_organization   'National Institutes of Health/National Cancer Institute (NIH/NCI)' 
_pdbx_audit_support.country                'United States' 
_pdbx_audit_support.grant_number           R01CA243529 
_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   5JVT 
_pdbx_initial_refinement_model.details          ? 
# 
_atom_sites.entry_id                    9CP6 
_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]   0.022430 
_atom_sites.fract_transf_matrix[1][2]   0.012950 
_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]   0.025899 
_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]   0.005691 
_atom_sites.fract_transf_vector[1]      0.00000 
_atom_sites.fract_transf_vector[2]      0.00000 
_atom_sites.fract_transf_vector[3]      0.00000 
_atom_sites.solution_primary            ? 
_atom_sites.solution_secondary          ? 
_atom_sites.solution_hydrogens          ? 
_atom_sites.special_details             ? 
# 
loop_
_atom_type.symbol 
C  
N  
NA 
O  
S  
# 
loop_
_atom_site.group_PDB 
_atom_site.id 
_atom_site.type_symbol 
_atom_site.label_atom_id 
_atom_site.label_alt_id 
_atom_site.label_comp_id 
_atom_site.label_asym_id 
_atom_site.label_entity_id 
_atom_site.label_seq_id 
_atom_site.pdbx_PDB_ins_code 
_atom_site.Cartn_x 
_atom_site.Cartn_y 
_atom_site.Cartn_z 
_atom_site.occupancy 
_atom_site.B_iso_or_equiv 
_atom_site.pdbx_formal_charge 
_atom_site.auth_seq_id 
_atom_site.auth_comp_id 
_atom_site.auth_asym_id 
_atom_site.auth_atom_id 
_atom_site.pdbx_PDB_model_num 
ATOM   1   N  N   . ARG A 1 18  ? -10.288 -16.395 -17.025 1.00 41.31 ? 272 ARG A N   1 
ATOM   2   C  CA  . ARG A 1 18  ? -11.761 -16.633 -17.025 1.00 39.82 ? 272 ARG A CA  1 
ATOM   3   C  C   . ARG A 1 18  ? -12.382 -16.001 -15.771 1.00 38.46 ? 272 ARG A C   1 
ATOM   4   O  O   . ARG A 1 18  ? -11.950 -16.353 -14.648 1.00 37.54 ? 272 ARG A O   1 
ATOM   5   N  N   . LEU A 1 19  ? -13.362 -15.114 -15.970 1.00 35.02 ? 273 LEU A N   1 
ATOM   6   C  CA  . LEU A 1 19  ? -14.045 -14.346 -14.895 1.00 34.36 ? 273 LEU A CA  1 
ATOM   7   C  C   . LEU A 1 19  ? -15.077 -15.228 -14.184 1.00 32.34 ? 273 LEU A C   1 
ATOM   8   O  O   . LEU A 1 19  ? -15.889 -15.884 -14.876 1.00 32.31 ? 273 LEU A O   1 
ATOM   9   C  CB  . LEU A 1 19  ? -14.725 -13.126 -15.517 1.00 36.31 ? 273 LEU A CB  1 
ATOM   10  C  CG  . LEU A 1 19  ? -15.334 -12.142 -14.521 1.00 37.26 ? 273 LEU A CG  1 
ATOM   11  C  CD1 . LEU A 1 19  ? -14.251 -11.369 -13.780 1.00 37.32 ? 273 LEU A CD1 1 
ATOM   12  C  CD2 . LEU A 1 19  ? -16.282 -11.189 -15.226 1.00 39.50 ? 273 LEU A CD2 1 
ATOM   13  N  N   . ALA A 1 20  ? -15.071 -15.200 -12.850 1.00 29.33 ? 274 ALA A N   1 
ATOM   14  C  CA  . ALA A 1 20  ? -16.025 -15.915 -11.975 1.00 27.99 ? 274 ALA A CA  1 
ATOM   15  C  C   . ALA A 1 20  ? -16.943 -14.900 -11.300 1.00 26.99 ? 274 ALA A C   1 
ATOM   16  O  O   . ALA A 1 20  ? -16.614 -13.704 -11.290 1.00 25.47 ? 274 ALA A O   1 
ATOM   17  C  CB  . ALA A 1 20  ? -15.271 -16.732 -10.955 1.00 27.01 ? 274 ALA A CB  1 
ATOM   18  N  N   . ASN A 1 21  ? -18.055 -15.368 -10.737 1.00 27.65 ? 275 ASN A N   1 
ATOM   19  C  CA  . ASN A 1 21  ? -18.953 -14.521 -9.918  1.00 29.34 ? 275 ASN A CA  1 
ATOM   20  C  C   . ASN A 1 21  ? -18.174 -14.073 -8.687  1.00 28.44 ? 275 ASN A C   1 
ATOM   21  O  O   . ASN A 1 21  ? -17.434 -14.858 -8.098  1.00 25.18 ? 275 ASN A O   1 
ATOM   22  C  CB  . ASN A 1 21  ? -20.254 -15.250 -9.567  1.00 32.56 ? 275 ASN A CB  1 
ATOM   23  C  CG  . ASN A 1 21  ? -21.099 -15.550 -10.791 1.00 35.71 ? 275 ASN A CG  1 
ATOM   24  O  OD1 . ASN A 1 21  ? -21.130 -14.765 -11.738 1.00 39.86 ? 275 ASN A OD1 1 
ATOM   25  N  ND2 . ASN A 1 21  ? -21.785 -16.683 -10.789 1.00 36.34 ? 275 ASN A ND2 1 
ATOM   26  N  N   . PRO A 1 22  ? -18.287 -12.792 -8.271  1.00 28.23 ? 276 PRO A N   1 
ATOM   27  C  CA  . PRO A 1 22  ? -17.594 -12.308 -7.080  1.00 27.56 ? 276 PRO A CA  1 
ATOM   28  C  C   . PRO A 1 22  ? -17.889 -13.162 -5.836  1.00 26.25 ? 276 PRO A C   1 
ATOM   29  O  O   . PRO A 1 22  ? -19.025 -13.549 -5.656  1.00 26.40 ? 276 PRO A O   1 
ATOM   30  C  CB  . PRO A 1 22  ? -18.136 -10.880 -6.900  1.00 29.45 ? 276 PRO A CB  1 
ATOM   31  C  CG  . PRO A 1 22  ? -18.524 -10.471 -8.299  1.00 30.18 ? 276 PRO A CG  1 
ATOM   32  C  CD  . PRO A 1 22  ? -19.080 -11.733 -8.926  1.00 30.24 ? 276 PRO A CD  1 
ATOM   33  N  N   . GLY A 1 23  ? -16.848 -13.473 -5.057  1.00 23.30 ? 277 GLY A N   1 
ATOM   34  C  CA  . GLY A 1 23  ? -16.940 -14.180 -3.772  1.00 21.16 ? 277 GLY A CA  1 
ATOM   35  C  C   . GLY A 1 23  ? -17.169 -15.668 -3.965  1.00 19.68 ? 277 GLY A C   1 
ATOM   36  O  O   . GLY A 1 23  ? -17.402 -16.341 -2.946  1.00 20.66 ? 277 GLY A O   1 
ATOM   37  N  N   . SER A 1 24  ? -17.059 -16.171 -5.199  1.00 19.37 ? 278 SER A N   1 
ATOM   38  C  CA  . SER A 1 24  ? -17.360 -17.590 -5.528  1.00 20.01 ? 278 SER A CA  1 
ATOM   39  C  C   . SER A 1 24  ? -16.186 -18.508 -5.162  1.00 20.85 ? 278 SER A C   1 
ATOM   40  O  O   . SER A 1 24  ? -15.005 -18.055 -5.135  1.00 18.72 ? 278 SER A O   1 
ATOM   41  C  CB  . SER A 1 24  ? -17.782 -17.751 -6.962  1.00 21.24 ? 278 SER A CB  1 
ATOM   42  O  OG  . SER A 1 24  ? -16.727 -17.428 -7.835  1.00 25.04 ? 278 SER A OG  1 
ATOM   43  N  N   . GLY A 1 25  ? -16.506 -19.761 -4.832  1.00 19.21 ? 279 GLY A N   1 
ATOM   44  C  CA  . GLY A 1 25  ? -15.510 -20.828 -4.626  1.00 20.07 ? 279 GLY A CA  1 
ATOM   45  C  C   . GLY A 1 25  ? -14.796 -21.212 -5.911  1.00 20.23 ? 279 GLY A C   1 
ATOM   46  O  O   . GLY A 1 25  ? -13.664 -21.678 -5.805  1.00 21.62 ? 279 GLY A O   1 
ATOM   47  N  N   . GLN A 1 26  ? -15.406 -20.999 -7.082  1.00 20.69 ? 280 GLN A N   1 
ATOM   48  C  CA  . GLN A 1 26  ? -14.856 -21.376 -8.417  1.00 23.50 ? 280 GLN A CA  1 
ATOM   49  C  C   . GLN A 1 26  ? -13.871 -20.308 -8.917  1.00 22.12 ? 280 GLN A C   1 
ATOM   50  O  O   . GLN A 1 26  ? -13.297 -20.496 -9.987  1.00 23.41 ? 280 GLN A O   1 
ATOM   51  C  CB  . GLN A 1 26  ? -15.995 -21.561 -9.419  1.00 28.59 ? 280 GLN A CB  1 
ATOM   52  C  CG  . GLN A 1 26  ? -15.593 -22.263 -10.709 1.00 35.17 ? 280 GLN A CG  1 
ATOM   53  C  CD  . GLN A 1 26  ? -16.790 -22.747 -11.500 1.00 39.99 ? 280 GLN A CD  1 
ATOM   54  O  OE1 . GLN A 1 26  ? -17.688 -23.400 -10.968 1.00 43.27 ? 280 GLN A OE1 1 
ATOM   55  N  NE2 . GLN A 1 26  ? -16.811 -22.437 -12.789 1.00 42.34 ? 280 GLN A NE2 1 
ATOM   56  N  N   . ILE A 1 27  ? -13.658 -19.242 -8.149  1.00 20.59 ? 281 ILE A N   1 
ATOM   57  C  CA  . ILE A 1 27  ? -12.810 -18.084 -8.544  1.00 18.80 ? 281 ILE A CA  1 
ATOM   58  C  C   . ILE A 1 27  ? -11.370 -18.535 -8.819  1.00 18.16 ? 281 ILE A C   1 
ATOM   59  O  O   . ILE A 1 27  ? -10.876 -19.465 -8.146  1.00 17.62 ? 281 ILE A O   1 
ATOM   60  C  CB  . ILE A 1 27  ? -12.879 -17.014 -7.443  1.00 19.43 ? 281 ILE A CB  1 
ATOM   61  C  CG1 . ILE A 1 27  ? -12.490 -15.630 -7.949  1.00 18.79 ? 281 ILE A CG1 1 
ATOM   62  C  CG2 . ILE A 1 27  ? -12.062 -17.410 -6.226  1.00 19.19 ? 281 ILE A CG2 1 
ATOM   63  C  CD1 . ILE A 1 27  ? -12.896 -14.554 -7.004  1.00 19.51 ? 281 ILE A CD1 1 
ATOM   64  N  N   . GLN A 1 28  ? -10.705 -17.873 -9.767  1.00 17.62 ? 282 GLN A N   1 
ATOM   65  C  CA  . GLN A 1 28  ? -9.259  -18.071 -10.022 1.00 18.00 ? 282 GLN A CA  1 
ATOM   66  C  C   . GLN A 1 28  ? -8.450  -17.150 -9.106  1.00 15.84 ? 282 GLN A C   1 
ATOM   67  O  O   . GLN A 1 28  ? -8.993  -16.144 -8.639  1.00 15.72 ? 282 GLN A O   1 
ATOM   68  C  CB  . GLN A 1 28  ? -8.956  -17.864 -11.502 1.00 20.39 ? 282 GLN A CB  1 
ATOM   69  C  CG  . GLN A 1 28  ? -9.443  -19.051 -12.324 1.00 23.41 ? 282 GLN A CG  1 
ATOM   70  C  CD  . GLN A 1 28  ? -9.241  -18.864 -13.803 1.00 27.81 ? 282 GLN A CD  1 
ATOM   71  O  OE1 . GLN A 1 28  ? -9.183  -17.743 -14.305 1.00 31.12 ? 282 GLN A OE1 1 
ATOM   72  N  NE2 . GLN A 1 28  ? -9.162  -19.977 -14.516 1.00 31.23 ? 282 GLN A NE2 1 
ATOM   73  N  N   . LEU A 1 29  ? -7.201  -17.528 -8.853  1.00 14.72 ? 283 LEU A N   1 
ATOM   74  C  CA  . LEU A 1 29  ? -6.331  -16.831 -7.877  1.00 14.63 ? 283 LEU A CA  1 
ATOM   75  C  C   . LEU A 1 29  ? -6.201  -15.348 -8.247  1.00 14.32 ? 283 LEU A C   1 
ATOM   76  O  O   . LEU A 1 29  ? -6.288  -14.494 -7.348  1.00 13.26 ? 283 LEU A O   1 
ATOM   77  C  CB  . LEU A 1 29  ? -4.971  -17.524 -7.851  1.00 14.67 ? 283 LEU A CB  1 
ATOM   78  C  CG  . LEU A 1 29  ? -3.936  -16.865 -6.950  1.00 15.59 ? 283 LEU A CG  1 
ATOM   79  C  CD1 . LEU A 1 29  ? -4.473  -16.651 -5.541  1.00 15.20 ? 283 LEU A CD1 1 
ATOM   80  C  CD2 . LEU A 1 29  ? -2.674  -17.696 -6.924  1.00 16.20 ? 283 LEU A CD2 1 
ATOM   81  N  N   . TRP A 1 30  ? -6.004  -15.013 -9.521  1.00 15.10 ? 284 TRP A N   1 
ATOM   82  C  CA  . TRP A 1 30  ? -5.804  -13.593 -9.918  1.00 15.89 ? 284 TRP A CA  1 
ATOM   83  C  C   . TRP A 1 30  ? -7.026  -12.763 -9.509  1.00 15.42 ? 284 TRP A C   1 
ATOM   84  O  O   . TRP A 1 30  ? -6.860  -11.626 -9.021  1.00 16.04 ? 284 TRP A O   1 
ATOM   85  C  CB  . TRP A 1 30  ? -5.486  -13.469 -11.418 1.00 16.59 ? 284 TRP A CB  1 
ATOM   86  C  CG  . TRP A 1 30  ? -6.612  -13.833 -12.333 1.00 17.37 ? 284 TRP A CG  1 
ATOM   87  C  CD1 . TRP A 1 30  ? -6.814  -15.043 -12.933 1.00 19.18 ? 284 TRP A CD1 1 
ATOM   88  C  CD2 . TRP A 1 30  ? -7.691  -12.992 -12.767 1.00 17.21 ? 284 TRP A CD2 1 
ATOM   89  N  NE1 . TRP A 1 30  ? -7.957  -15.014 -13.681 1.00 19.76 ? 284 TRP A NE1 1 
ATOM   90  C  CE2 . TRP A 1 30  ? -8.511  -13.771 -13.611 1.00 18.40 ? 284 TRP A CE2 1 
ATOM   91  C  CE3 . TRP A 1 30  ? -8.055  -11.665 -12.519 1.00 17.10 ? 284 TRP A CE3 1 
ATOM   92  C  CZ2 . TRP A 1 30  ? -9.659  -13.261 -14.207 1.00 19.43 ? 284 TRP A CZ2 1 
ATOM   93  C  CZ3 . TRP A 1 30  ? -9.190  -11.161 -13.105 1.00 18.61 ? 284 TRP A CZ3 1 
ATOM   94  C  CH2 . TRP A 1 30  ? -9.989  -11.957 -13.932 1.00 19.46 ? 284 TRP A CH2 1 
ATOM   95  N  N   . GLN A 1 31  ? -8.235  -13.290 -9.698  1.00 14.93 ? 285 GLN A N   1 
ATOM   96  C  CA  . GLN A 1 31  ? -9.475  -12.548 -9.384  1.00 14.21 ? 285 GLN A CA  1 
ATOM   97  C  C   . GLN A 1 31  ? -9.643  -12.447 -7.866  1.00 13.24 ? 285 GLN A C   1 
ATOM   98  O  O   . GLN A 1 31  ? -10.111 -11.411 -7.379  1.00 12.70 ? 285 GLN A O   1 
ATOM   99  C  CB  . GLN A 1 31  ? -10.677 -13.232 -10.025 1.00 15.45 ? 285 GLN A CB  1 
ATOM   100 C  CG  . GLN A 1 31  ? -11.888 -12.331 -10.071 1.00 17.31 ? 285 GLN A CG  1 
ATOM   101 C  CD  . GLN A 1 31  ? -13.086 -13.039 -10.644 1.00 18.27 ? 285 GLN A CD  1 
ATOM   102 O  OE1 . GLN A 1 31  ? -12.965 -13.914 -11.497 1.00 19.63 ? 285 GLN A OE1 1 
ATOM   103 N  NE2 . GLN A 1 31  ? -14.251 -12.677 -10.146 1.00 20.99 ? 285 GLN A NE2 1 
ATOM   104 N  N   . PHE A 1 32  ? -9.290  -13.504 -7.149  1.00 12.53 ? 286 PHE A N   1 
ATOM   105 C  CA  . PHE A 1 32  ? -9.363  -13.533 -5.676  1.00 12.99 ? 286 PHE A CA  1 
ATOM   106 C  C   . PHE A 1 32  ? -8.462  -12.441 -5.103  1.00 12.36 ? 286 PHE A C   1 
ATOM   107 O  O   . PHE A 1 32  ? -8.883  -11.720 -4.184  1.00 12.44 ? 286 PHE A O   1 
ATOM   108 C  CB  . PHE A 1 32  ? -8.981  -14.917 -5.166  1.00 13.47 ? 286 PHE A CB  1 
ATOM   109 C  CG  . PHE A 1 32  ? -8.926  -15.003 -3.669  1.00 13.16 ? 286 PHE A CG  1 
ATOM   110 C  CD1 . PHE A 1 32  ? -10.095 -15.036 -2.922  1.00 13.66 ? 286 PHE A CD1 1 
ATOM   111 C  CD2 . PHE A 1 32  ? -7.708  -15.039 -3.009  1.00 13.31 ? 286 PHE A CD2 1 
ATOM   112 C  CE1 . PHE A 1 32  ? -10.041 -15.111 -1.543  1.00 13.89 ? 286 PHE A CE1 1 
ATOM   113 C  CE2 . PHE A 1 32  ? -7.661  -15.138 -1.625  1.00 13.69 ? 286 PHE A CE2 1 
ATOM   114 C  CZ  . PHE A 1 32  ? -8.827  -15.155 -0.900  1.00 13.53 ? 286 PHE A CZ  1 
ATOM   115 N  N   . LEU A 1 33  ? -7.259  -12.302 -5.646  1.00 12.73 ? 287 LEU A N   1 
ATOM   116 C  CA  . LEU A 1 33  ? -6.332  -11.253 -5.152  1.00 12.99 ? 287 LEU A CA  1 
ATOM   117 C  C   . LEU A 1 33  ? -6.921  -9.867  -5.433  1.00 12.62 ? 287 LEU A C   1 
ATOM   118 O  O   . LEU A 1 33  ? -6.873  -9.014  -4.534  1.00 11.41 ? 287 LEU A O   1 
ATOM   119 C  CB  . LEU A 1 33  ? -4.957  -11.447 -5.778  1.00 13.11 ? 287 LEU A CB  1 
ATOM   120 C  CG  . LEU A 1 33  ? -4.241  -12.725 -5.360  1.00 13.94 ? 287 LEU A CG  1 
ATOM   121 C  CD1 . LEU A 1 33  ? -2.901  -12.850 -6.049  1.00 15.34 ? 287 LEU A CD1 1 
ATOM   122 C  CD2 . LEU A 1 33  ? -4.096  -12.819 -3.850  1.00 14.21 ? 287 LEU A CD2 1 
ATOM   123 N  N   . LEU A 1 34  ? -7.492  -9.633  -6.623  1.00 12.62 ? 288 LEU A N   1 
ATOM   124 C  CA  . LEU A 1 34  ? -8.187  -8.350  -6.902  1.00 13.43 ? 288 LEU A CA  1 
ATOM   125 C  C   . LEU A 1 34  ? -9.328  -8.115  -5.901  1.00 13.44 ? 288 LEU A C   1 
ATOM   126 O  O   . LEU A 1 34  ? -9.542  -6.965  -5.459  1.00 13.46 ? 288 LEU A O   1 
ATOM   127 C  CB  . LEU A 1 34  ? -8.719  -8.341  -8.335  1.00 14.94 ? 288 LEU A CB  1 
ATOM   128 C  CG  . LEU A 1 34  ? -7.682  -8.093  -9.418  1.00 16.84 ? 288 LEU A CG  1 
ATOM   129 C  CD1 . LEU A 1 34  ? -8.333  -8.206  -10.791 1.00 17.93 ? 288 LEU A CD1 1 
ATOM   130 C  CD2 . LEU A 1 34  ? -7.035  -6.724  -9.262  1.00 17.14 ? 288 LEU A CD2 1 
ATOM   131 N  N   . GLU A 1 35  ? -10.065 -9.164  -5.551  1.00 13.69 ? 289 GLU A N   1 
ATOM   132 C  CA  . GLU A 1 35  ? -11.165 -9.081  -4.566  1.00 14.60 ? 289 GLU A CA  1 
ATOM   133 C  C   . GLU A 1 35  ? -10.601 -8.607  -3.215  1.00 13.25 ? 289 GLU A C   1 
ATOM   134 O  O   . GLU A 1 35  ? -11.184 -7.695  -2.609  1.00 13.95 ? 289 GLU A O   1 
ATOM   135 C  CB  . GLU A 1 35  ? -11.845 -10.446 -4.465  1.00 17.02 ? 289 GLU A CB  1 
ATOM   136 C  CG  . GLU A 1 35  ? -13.004 -10.472 -3.509  1.00 20.48 ? 289 GLU A CG  1 
ATOM   137 C  CD  . GLU A 1 35  ? -13.665 -11.833 -3.345  1.00 23.55 ? 289 GLU A CD  1 
ATOM   138 O  OE1 . GLU A 1 35  ? -13.698 -12.628 -4.331  1.00 23.46 ? 289 GLU A OE1 1 
ATOM   139 O  OE2 . GLU A 1 35  ? -14.146 -12.094 -2.227  1.00 29.11 ? 289 GLU A OE2 1 
ATOM   140 N  N   . LEU A 1 36  ? -9.481  -9.166  -2.760  1.00 13.01 ? 290 LEU A N   1 
ATOM   141 C  CA  . LEU A 1 36  ? -8.881  -8.762  -1.457  1.00 12.17 ? 290 LEU A CA  1 
ATOM   142 C  C   . LEU A 1 36  ? -8.402  -7.310  -1.564  1.00 12.07 ? 290 LEU A C   1 
ATOM   143 O  O   . LEU A 1 36  ? -8.646  -6.540  -0.645  1.00 12.26 ? 290 LEU A O   1 
ATOM   144 C  CB  . LEU A 1 36  ? -7.701  -9.662  -1.082  1.00 12.89 ? 290 LEU A CB  1 
ATOM   145 C  CG  . LEU A 1 36  ? -8.032  -11.111 -0.736  1.00 14.19 ? 290 LEU A CG  1 
ATOM   146 C  CD1 . LEU A 1 36  ? -6.778  -11.873 -0.341  1.00 14.91 ? 290 LEU A CD1 1 
ATOM   147 C  CD2 . LEU A 1 36  ? -9.070  -11.164 0.357   1.00 15.71 ? 290 LEU A CD2 1 
ATOM   148 N  N   . LEU A 1 37  ? -7.773  -6.950  -2.683  1.00 11.77 ? 291 LEU A N   1 
ATOM   149 C  CA  . LEU A 1 37  ? -7.200  -5.594  -2.863  1.00 12.31 ? 291 LEU A CA  1 
ATOM   150 C  C   . LEU A 1 37  ? -8.314  -4.541  -2.954  1.00 13.49 ? 291 LEU A C   1 
ATOM   151 O  O   . LEU A 1 37  ? -8.044  -3.369  -2.619  1.00 14.25 ? 291 LEU A O   1 
ATOM   152 C  CB  . LEU A 1 37  ? -6.321  -5.611  -4.113  1.00 12.09 ? 291 LEU A CB  1 
ATOM   153 C  CG  . LEU A 1 37  ? -4.948  -6.258  -3.938  1.00 12.47 ? 291 LEU A CG  1 
ATOM   154 C  CD1 . LEU A 1 37  ? -4.357  -6.611  -5.283  1.00 12.75 ? 291 LEU A CD1 1 
ATOM   155 C  CD2 . LEU A 1 37  ? -4.016  -5.357  -3.136  1.00 12.90 ? 291 LEU A CD2 1 
ATOM   156 N  N   . SER A 1 38  ? -9.514  -4.911  -3.398  1.00 13.57 ? 292 SER A N   1 
ATOM   157 C  CA  . SER A 1 38  ? -10.637 -3.958  -3.614  1.00 15.14 ? 292 SER A CA  1 
ATOM   158 C  C   . SER A 1 38  ? -11.075 -3.348  -2.278  1.00 16.00 ? 292 SER A C   1 
ATOM   159 O  O   . SER A 1 38  ? -11.731 -2.289  -2.279  1.00 17.22 ? 292 SER A O   1 
ATOM   160 C  CB  . SER A 1 38  ? -11.797 -4.619  -4.321  1.00 16.14 ? 292 SER A CB  1 
ATOM   161 O  OG  . SER A 1 38  ? -12.545 -5.425  -3.427  1.00 18.39 ? 292 SER A OG  1 
ATOM   162 N  N   . ASP A 1 39  ? -10.781 -4.025  -1.167  1.00 15.72 ? 293 ASP A N   1 
ATOM   163 C  CA  . ASP A 1 39  ? -11.233 -3.589  0.172   1.00 16.81 ? 293 ASP A CA  1 
ATOM   164 C  C   . ASP A 1 39  ? -10.001 -3.199  0.985   1.00 15.75 ? 293 ASP A C   1 
ATOM   165 O  O   . ASP A 1 39  ? -9.225  -4.081  1.325   1.00 16.75 ? 293 ASP A O   1 
ATOM   166 C  CB  . ASP A 1 39  ? -12.074 -4.682  0.840   1.00 18.51 ? 293 ASP A CB  1 
ATOM   167 C  CG  . ASP A 1 39  ? -12.671 -4.275  2.175   1.00 21.79 ? 293 ASP A CG  1 
ATOM   168 O  OD1 . ASP A 1 39  ? -12.347 -3.164  2.660   1.00 21.87 ? 293 ASP A OD1 1 
ATOM   169 O  OD2 . ASP A 1 39  ? -13.449 -5.082  2.727   1.00 25.19 ? 293 ASP A OD2 1 
ATOM   170 N  N   . SER A 1 40  ? -9.827  -1.907  1.275   1.00 14.86 ? 294 SER A N   1 
ATOM   171 C  CA  . SER A 1 40  ? -8.681  -1.371  2.043   1.00 15.18 ? 294 SER A CA  1 
ATOM   172 C  C   . SER A 1 40  ? -8.615  -2.034  3.428   1.00 14.66 ? 294 SER A C   1 
ATOM   173 O  O   . SER A 1 40  ? -7.517  -2.025  4.026   1.00 14.35 ? 294 SER A O   1 
ATOM   174 C  CB  . SER A 1 40  ? -8.782  0.143   2.161   1.00 16.01 ? 294 SER A CB  1 
ATOM   175 O  OG  . SER A 1 40  ? -9.896  0.493   2.942   1.00 19.80 ? 294 SER A OG  1 
ATOM   176 N  N   . ALA A 1 41  ? -9.722  -2.590  3.931   1.00 14.31 ? 295 ALA A N   1 
ATOM   177 C  CA  . ALA A 1 41  ? -9.766  -3.248  5.263   1.00 14.99 ? 295 ALA A CA  1 
ATOM   178 C  C   . ALA A 1 41  ? -8.807  -4.448  5.291   1.00 14.35 ? 295 ALA A C   1 
ATOM   179 O  O   . ALA A 1 41  ? -8.418  -4.859  6.387   1.00 14.90 ? 295 ALA A O   1 
ATOM   180 C  CB  . ALA A 1 41  ? -11.170 -3.672  5.616   1.00 15.88 ? 295 ALA A CB  1 
ATOM   181 N  N   . ASN A 1 42  ? -8.386  -4.972  4.135   1.00 12.75 ? 296 ASN A N   1 
ATOM   182 C  CA  . ASN A 1 42  ? -7.497  -6.165  4.055   1.00 13.17 ? 296 ASN A CA  1 
ATOM   183 C  C   . ASN A 1 42  ? -6.018  -5.775  4.033   1.00 12.19 ? 296 ASN A C   1 
ATOM   184 O  O   . ASN A 1 42  ? -5.181  -6.672  3.857   1.00 11.38 ? 296 ASN A O   1 
ATOM   185 C  CB  . ASN A 1 42  ? -7.833  -7.023  2.832   1.00 13.75 ? 296 ASN A CB  1 
ATOM   186 C  CG  . ASN A 1 42  ? -9.205  -7.660  2.899   1.00 14.78 ? 296 ASN A CG  1 
ATOM   187 O  OD1 . ASN A 1 42  ? -9.613  -8.184  3.937   1.00 15.83 ? 296 ASN A OD1 1 
ATOM   188 N  ND2 . ASN A 1 42  ? -9.924  -7.622  1.801   1.00 14.90 ? 296 ASN A ND2 1 
ATOM   189 N  N   . ALA A 1 43  ? -5.655  -4.503  4.250   1.00 11.66 ? 297 ALA A N   1 
ATOM   190 C  CA  . ALA A 1 43  ? -4.274  -4.005  4.058   1.00 12.53 ? 297 ALA A CA  1 
ATOM   191 C  C   . ALA A 1 43  ? -3.270  -4.720  4.975   1.00 13.02 ? 297 ALA A C   1 
ATOM   192 O  O   . ALA A 1 43  ? -2.103  -4.798  4.613   1.00 13.68 ? 297 ALA A O   1 
ATOM   193 C  CB  . ALA A 1 43  ? -4.218  -2.509  4.248   1.00 13.43 ? 297 ALA A CB  1 
ATOM   194 N  N   . SER A 1 44  ? -3.697  -5.270  6.121   1.00 13.89 ? 298 SER A N   1 
ATOM   195 C  CA  . SER A 1 44  ? -2.780  -6.023  7.009   1.00 15.38 ? 298 SER A CA  1 
ATOM   196 C  C   . SER A 1 44  ? -2.318  -7.325  6.338   1.00 15.09 ? 298 SER A C   1 
ATOM   197 O  O   . SER A 1 44  ? -1.339  -7.925  6.856   1.00 16.80 ? 298 SER A O   1 
ATOM   198 C  CB  . SER A 1 44  ? -3.404  -6.318  8.333   1.00 16.84 ? 298 SER A CB  1 
ATOM   199 O  OG  . SER A 1 44  ? -4.386  -7.325  8.168   1.00 21.53 ? 298 SER A OG  1 
ATOM   200 N  N   . CYS A 1 45  ? -2.928  -7.782  5.240   1.00 13.75 ? 299 CYS A N   1 
ATOM   201 C  CA  . CYS A 1 45  ? -2.368  -8.962  4.529   1.00 13.66 ? 299 CYS A CA  1 
ATOM   202 C  C   . CYS A 1 45  ? -2.012  -8.647  3.075   1.00 12.37 ? 299 CYS A C   1 
ATOM   203 O  O   . CYS A 1 45  ? -1.109  -9.288  2.569   1.00 12.71 ? 299 CYS A O   1 
ATOM   204 C  CB  . CYS A 1 45  ? -3.234  -10.208 4.635   1.00 15.38 ? 299 CYS A CB  1 
ATOM   205 S  SG  . CYS A 1 45  ? -4.797  -10.190 3.730   1.00 18.38 ? 299 CYS A SG  1 
ATOM   206 N  N   . ILE A 1 46  ? -2.687  -7.704  2.437   1.00 11.45 ? 300 ILE A N   1 
ATOM   207 C  CA  . ILE A 1 46  ? -2.402  -7.429  1.001   1.00 11.51 ? 300 ILE A CA  1 
ATOM   208 C  C   . ILE A 1 46  ? -2.827  -5.997  0.686   1.00 11.14 ? 300 ILE A C   1 
ATOM   209 O  O   . ILE A 1 46  ? -3.929  -5.571  1.077   1.00 13.12 ? 300 ILE A O   1 
ATOM   210 C  CB  . ILE A 1 46  ? -3.079  -8.468  0.084   1.00 11.70 ? 300 ILE A CB  1 
ATOM   211 C  CG1 . ILE A 1 46  ? -2.494  -8.416  -1.328  1.00 12.42 ? 300 ILE A CG1 1 
ATOM   212 C  CG2 . ILE A 1 46  ? -4.598  -8.315  0.075   1.00 12.11 ? 300 ILE A CG2 1 
ATOM   213 C  CD1 . ILE A 1 46  ? -2.972  -9.540  -2.208  1.00 12.70 ? 300 ILE A CD1 1 
ATOM   214 N  N   . THR A 1 47  ? -1.981  -5.280  -0.037  1.00 11.27 ? 301 THR A N   1 
ATOM   215 C  CA  . THR A 1 47  ? -2.211  -3.842  -0.275  1.00 11.92 ? 301 THR A CA  1 
ATOM   216 C  C   . THR A 1 47  ? -1.641  -3.434  -1.640  1.00 11.44 ? 301 THR A C   1 
ATOM   217 O  O   . THR A 1 47  ? -0.624  -3.955  -2.066  1.00 10.98 ? 301 THR A O   1 
ATOM   218 C  CB  . THR A 1 47  ? -1.667  -3.035  0.905   1.00 13.64 ? 301 THR A CB  1 
ATOM   219 O  OG1 . THR A 1 47  ? -2.216  -1.728  0.766   1.00 17.14 ? 301 THR A OG1 1 
ATOM   220 C  CG2 . THR A 1 47  ? -0.162  -3.009  0.951   1.00 13.47 ? 301 THR A CG2 1 
ATOM   221 N  N   . TRP A 1 48  ? -2.302  -2.489  -2.295  1.00 12.23 ? 302 TRP A N   1 
ATOM   222 C  CA  . TRP A 1 48  ? -1.754  -1.843  -3.517  1.00 12.28 ? 302 TRP A CA  1 
ATOM   223 C  C   . TRP A 1 48  ? -0.460  -1.082  -3.192  1.00 13.10 ? 302 TRP A C   1 
ATOM   224 O  O   . TRP A 1 48  ? -0.407  -0.410  -2.140  1.00 12.32 ? 302 TRP A O   1 
ATOM   225 C  CB  . TRP A 1 48  ? -2.793  -0.888  -4.099  1.00 12.15 ? 302 TRP A CB  1 
ATOM   226 C  CG  . TRP A 1 48  ? -4.002  -1.501  -4.735  1.00 12.13 ? 302 TRP A CG  1 
ATOM   227 C  CD1 . TRP A 1 48  ? -5.301  -1.280  -4.378  1.00 12.63 ? 302 TRP A CD1 1 
ATOM   228 C  CD2 . TRP A 1 48  ? -4.051  -2.348  -5.898  1.00 11.98 ? 302 TRP A CD2 1 
ATOM   229 N  NE1 . TRP A 1 48  ? -6.138  -1.932  -5.238  1.00 12.43 ? 302 TRP A NE1 1 
ATOM   230 C  CE2 . TRP A 1 48  ? -5.406  -2.611  -6.167  1.00 11.87 ? 302 TRP A CE2 1 
ATOM   231 C  CE3 . TRP A 1 48  ? -3.083  -2.911  -6.736  1.00 12.08 ? 302 TRP A CE3 1 
ATOM   232 C  CZ2 . TRP A 1 48  ? -5.809  -3.388  -7.256  1.00 12.26 ? 302 TRP A CZ2 1 
ATOM   233 C  CZ3 . TRP A 1 48  ? -3.482  -3.680  -7.812  1.00 12.89 ? 302 TRP A CZ3 1 
ATOM   234 C  CH2 . TRP A 1 48  ? -4.836  -3.932  -8.056  1.00 13.13 ? 302 TRP A CH2 1 
ATOM   235 N  N   . GLU A 1 49  ? 0.505   -1.069  -4.108  1.00 13.76 ? 303 GLU A N   1 
ATOM   236 C  CA  . GLU A 1 49  ? 1.752   -0.283  -3.945  1.00 15.26 ? 303 GLU A CA  1 
ATOM   237 C  C   . GLU A 1 49  ? 1.550   1.152   -4.450  1.00 17.68 ? 303 GLU A C   1 
ATOM   238 O  O   . GLU A 1 49  ? 2.250   2.045   -3.928  1.00 19.45 ? 303 GLU A O   1 
ATOM   239 C  CB  . GLU A 1 49  ? 2.900   -1.005  -4.630  1.00 16.00 ? 303 GLU A CB  1 
ATOM   240 C  CG  . GLU A 1 49  ? 3.395   -2.161  -3.786  1.00 18.37 ? 303 GLU A CG  1 
ATOM   241 N  N   . GLY A 1 50  ? 0.610   1.373   -5.372  1.00 18.84 ? 304 GLY A N   1 
ATOM   242 C  CA  . GLY A 1 50  ? 0.216   2.721   -5.832  1.00 19.96 ? 304 GLY A CA  1 
ATOM   243 C  C   . GLY A 1 50  ? 0.521   2.943   -7.300  1.00 22.90 ? 304 GLY A C   1 
ATOM   244 O  O   . GLY A 1 50  ? -0.115  3.824   -7.902  1.00 23.84 ? 304 GLY A O   1 
ATOM   245 N  N   . THR A 1 51  ? 1.426   2.164   -7.892  1.00 24.91 ? 305 THR A N   1 
ATOM   246 C  CA  . THR A 1 51  ? 1.801   2.324   -9.320  1.00 29.18 ? 305 THR A CA  1 
ATOM   247 C  C   . THR A 1 51  ? 1.533   1.037   -10.104 1.00 31.07 ? 305 THR A C   1 
ATOM   248 O  O   . THR A 1 51  ? 1.898   -0.044  -9.611  1.00 30.59 ? 305 THR A O   1 
ATOM   249 C  CB  . THR A 1 51  ? 3.261   2.779   -9.424  1.00 33.61 ? 305 THR A CB  1 
ATOM   250 O  OG1 . THR A 1 51  ? 4.073   1.875   -8.673  1.00 35.24 ? 305 THR A OG1 1 
ATOM   251 C  CG2 . THR A 1 51  ? 3.457   4.182   -8.895  1.00 35.41 ? 305 THR A CG2 1 
ATOM   252 N  N   . ASN A 1 52  ? 0.908   1.166   -11.278 1.00 31.46 ? 306 ASN A N   1 
ATOM   253 C  CA  . ASN A 1 52  ? 1.043   0.216   -12.417 1.00 30.79 ? 306 ASN A CA  1 
ATOM   254 C  C   . ASN A 1 52  ? 0.637   -1.218  -12.040 1.00 27.72 ? 306 ASN A C   1 
ATOM   255 O  O   . ASN A 1 52  ? 1.347   -2.156  -12.485 1.00 31.58 ? 306 ASN A O   1 
ATOM   256 C  CB  . ASN A 1 52  ? 2.486   0.197   -12.927 1.00 33.70 ? 306 ASN A CB  1 
ATOM   257 N  N   . GLY A 1 53  ? -0.446  -1.397  -11.284 1.00 25.84 ? 307 GLY A N   1 
ATOM   258 C  CA  . GLY A 1 53  ? -0.991  -2.727  -10.923 1.00 22.18 ? 307 GLY A CA  1 
ATOM   259 C  C   . GLY A 1 53  ? -0.120  -3.504  -9.934  1.00 19.50 ? 307 GLY A C   1 
ATOM   260 O  O   . GLY A 1 53  ? -0.352  -4.714  -9.753  1.00 15.96 ? 307 GLY A O   1 
ATOM   261 N  N   . GLU A 1 54  ? 0.855   -2.857  -9.306  1.00 17.03 ? 308 GLU A N   1 
ATOM   262 C  CA  . GLU A 1 54  ? 1.755   -3.494  -8.314  1.00 16.14 ? 308 GLU A CA  1 
ATOM   263 C  C   . GLU A 1 54  ? 1.055   -3.613  -6.958  1.00 13.74 ? 308 GLU A C   1 
ATOM   264 O  O   . GLU A 1 54  ? 0.372   -2.674  -6.540  1.00 12.21 ? 308 GLU A O   1 
ATOM   265 C  CB  . GLU A 1 54  ? 3.009   -2.644  -8.138  1.00 18.35 ? 308 GLU A CB  1 
ATOM   266 C  CG  . GLU A 1 54  ? 4.036   -3.255  -7.234  1.00 22.10 ? 308 GLU A CG  1 
ATOM   267 C  CD  . GLU A 1 54  ? 5.417   -2.625  -7.335  1.00 24.99 ? 308 GLU A CD  1 
ATOM   268 O  OE1 . GLU A 1 54  ? 5.795   -2.206  -8.453  1.00 29.95 ? 308 GLU A OE1 1 
ATOM   269 O  OE2 . GLU A 1 54  ? 6.092   -2.560  -6.301  1.00 29.41 ? 308 GLU A OE2 1 
ATOM   270 N  N   . PHE A 1 55  ? 1.261   -4.735  -6.271  1.00 12.10 ? 309 PHE A N   1 
ATOM   271 C  CA  . PHE A 1 55  ? 0.744   -4.944  -4.896  1.00 12.23 ? 309 PHE A CA  1 
ATOM   272 C  C   . PHE A 1 55  ? 1.785   -5.718  -4.095  1.00 12.60 ? 309 PHE A C   1 
ATOM   273 O  O   . PHE A 1 55  ? 2.734   -6.245  -4.673  1.00 13.45 ? 309 PHE A O   1 
ATOM   274 C  CB  . PHE A 1 55  ? -0.597  -5.677  -4.917  1.00 12.73 ? 309 PHE A CB  1 
ATOM   275 C  CG  . PHE A 1 55  ? -0.566  -7.073  -5.479  1.00 12.15 ? 309 PHE A CG  1 
ATOM   276 C  CD1 . PHE A 1 55  ? -0.683  -7.301  -6.842  1.00 13.18 ? 309 PHE A CD1 1 
ATOM   277 C  CD2 . PHE A 1 55  ? -0.430  -8.165  -4.629  1.00 13.38 ? 309 PHE A CD2 1 
ATOM   278 C  CE1 . PHE A 1 55  ? -0.685  -8.597  -7.334  1.00 13.46 ? 309 PHE A CE1 1 
ATOM   279 C  CE2 . PHE A 1 55  ? -0.444  -9.456  -5.125  1.00 13.36 ? 309 PHE A CE2 1 
ATOM   280 C  CZ  . PHE A 1 55  ? -0.546  -9.664  -6.477  1.00 13.70 ? 309 PHE A CZ  1 
ATOM   281 N  N   . LYS A 1 56  ? 1.609   -5.701  -2.774  1.00 13.23 ? 310 LYS A N   1 
ATOM   282 C  CA  . LYS A 1 56  ? 2.529   -6.315  -1.786  1.00 15.56 ? 310 LYS A CA  1 
ATOM   283 C  C   . LYS A 1 56  ? 1.669   -7.200  -0.892  1.00 13.98 ? 310 LYS A C   1 
ATOM   284 O  O   . LYS A 1 56  ? 0.582   -6.765  -0.493  1.00 12.36 ? 310 LYS A O   1 
ATOM   285 C  CB  . LYS A 1 56  ? 3.225   -5.206  -0.985  1.00 19.54 ? 310 LYS A CB  1 
ATOM   286 C  CG  . LYS A 1 56  ? 4.319   -5.632  -0.020  1.00 26.38 ? 310 LYS A CG  1 
ATOM   287 C  CD  . LYS A 1 56  ? 4.986   -4.438  0.639   1.00 29.07 ? 310 LYS A CD  1 
ATOM   288 C  CE  . LYS A 1 56  ? 5.845   -4.811  1.832   1.00 34.64 ? 310 LYS A CE  1 
ATOM   289 N  NZ  . LYS A 1 56  ? 6.563   -3.637  2.387   1.00 38.29 ? 310 LYS A NZ  1 
ATOM   290 N  N   . MET A 1 57  ? 2.095   -8.430  -0.639  1.00 13.43 ? 311 MET A N   1 
ATOM   291 C  CA  . MET A 1 57  ? 1.471   -9.232  0.432   1.00 14.15 ? 311 MET A CA  1 
ATOM   292 C  C   . MET A 1 57  ? 2.197   -8.895  1.731   1.00 14.35 ? 311 MET A C   1 
ATOM   293 O  O   . MET A 1 57  ? 3.332   -9.352  1.962   1.00 15.75 ? 311 MET A O   1 
ATOM   294 C  CB  . MET A 1 57  ? 1.543   -10.724 0.126   1.00 15.17 ? 311 MET A CB  1 
ATOM   295 C  CG  . MET A 1 57  ? 0.810   -11.086 -1.148  1.00 16.85 ? 311 MET A CG  1 
ATOM   296 S  SD  . MET A 1 57  ? 0.812   -12.862 -1.386  1.00 19.95 ? 311 MET A SD  1 
ATOM   297 C  CE  . MET A 1 57  ? 0.073   -12.979 -3.010  1.00 21.45 ? 311 MET A CE  1 
ATOM   298 N  N   . THR A 1 58  ? 1.557   -8.106  2.574   1.00 14.99 ? 312 THR A N   1 
ATOM   299 C  CA  . THR A 1 58  ? 2.097   -7.707  3.882   1.00 16.43 ? 312 THR A CA  1 
ATOM   300 C  C   . THR A 1 58  ? 2.052   -8.914  4.820   1.00 17.16 ? 312 THR A C   1 
ATOM   301 O  O   . THR A 1 58  ? 2.843   -8.933  5.764   1.00 19.07 ? 312 THR A O   1 
ATOM   302 C  CB  . THR A 1 58  ? 1.355   -6.471  4.384   1.00 18.59 ? 312 THR A CB  1 
ATOM   303 O  OG1 . THR A 1 58  ? -0.026  -6.795  4.229   1.00 20.31 ? 312 THR A OG1 1 
ATOM   304 C  CG2 . THR A 1 58  ? 1.709   -5.235  3.585   1.00 20.51 ? 312 THR A CG2 1 
ATOM   305 N  N   . ASP A 1 59  ? 1.155   -9.870  4.570   1.00 15.64 ? 313 ASP A N   1 
ATOM   306 C  CA  . ASP A 1 59  ? 1.083   -11.137 5.338   1.00 16.42 ? 313 ASP A CA  1 
ATOM   307 C  C   . ASP A 1 59  ? 0.786   -12.272 4.372   1.00 14.95 ? 313 ASP A C   1 
ATOM   308 O  O   . ASP A 1 59  ? -0.361  -12.689 4.209   1.00 13.97 ? 313 ASP A O   1 
ATOM   309 C  CB  . ASP A 1 59  ? 0.084   -11.059 6.483   1.00 17.21 ? 313 ASP A CB  1 
ATOM   310 C  CG  . ASP A 1 59  ? 0.224   -12.236 7.435   1.00 19.17 ? 313 ASP A CG  1 
ATOM   311 O  OD1 . ASP A 1 59  ? 0.781   -13.279 7.014   1.00 20.81 ? 313 ASP A OD1 1 
ATOM   312 O  OD2 . ASP A 1 59  ? -0.221  -12.092 8.576   1.00 23.03 ? 313 ASP A OD2 1 
ATOM   313 N  N   . PRO A 1 60  ? 1.829   -12.798 3.693   1.00 14.29 ? 314 PRO A N   1 
ATOM   314 C  CA  . PRO A 1 60  ? 1.640   -13.832 2.684   1.00 14.58 ? 314 PRO A CA  1 
ATOM   315 C  C   . PRO A 1 60  ? 1.016   -15.113 3.246   1.00 14.09 ? 314 PRO A C   1 
ATOM   316 O  O   . PRO A 1 60  ? 0.315   -15.774 2.531   1.00 13.72 ? 314 PRO A O   1 
ATOM   317 C  CB  . PRO A 1 60  ? 3.057   -14.128 2.150   1.00 15.49 ? 314 PRO A CB  1 
ATOM   318 C  CG  . PRO A 1 60  ? 3.995   -13.501 3.138   1.00 15.53 ? 314 PRO A CG  1 
ATOM   319 C  CD  . PRO A 1 60  ? 3.235   -12.375 3.806   1.00 15.45 ? 314 PRO A CD  1 
ATOM   320 N  N   . ASP A 1 61  ? 1.305   -15.443 4.502   1.00 14.48 ? 315 ASP A N   1 
ATOM   321 C  CA  . ASP A 1 61  ? 0.739   -16.670 5.111   1.00 15.17 ? 315 ASP A CA  1 
ATOM   322 C  C   . ASP A 1 61  ? -0.770  -16.465 5.294   1.00 14.80 ? 315 ASP A C   1 
ATOM   323 O  O   . ASP A 1 61  ? -1.507  -17.434 5.125   1.00 15.01 ? 315 ASP A O   1 
ATOM   324 C  CB  . ASP A 1 61  ? 1.473   -17.020 6.402   1.00 16.26 ? 315 ASP A CB  1 
ATOM   325 C  CG  . ASP A 1 61  ? 2.898   -17.497 6.156   1.00 18.54 ? 315 ASP A CG  1 
ATOM   326 O  OD1 . ASP A 1 61  ? 3.115   -18.180 5.135   1.00 19.04 ? 315 ASP A OD1 1 
ATOM   327 O  OD2 . ASP A 1 61  ? 3.786   -17.187 6.989   1.00 22.66 ? 315 ASP A OD2 1 
ATOM   328 N  N   . GLU A 1 62  ? -1.209  -15.249 5.612   1.00 14.44 ? 316 GLU A N   1 
ATOM   329 C  CA  . GLU A 1 62  ? -2.652  -14.941 5.774   1.00 14.33 ? 316 GLU A CA  1 
ATOM   330 C  C   . GLU A 1 62  ? -3.319  -14.950 4.393   1.00 13.35 ? 316 GLU A C   1 
ATOM   331 O  O   . GLU A 1 62  ? -4.450  -15.458 4.287   1.00 12.93 ? 316 GLU A O   1 
ATOM   332 C  CB  . GLU A 1 62  ? -2.845  -13.628 6.526   1.00 15.89 ? 316 GLU A CB  1 
ATOM   333 C  CG  . GLU A 1 62  ? -4.294  -13.201 6.668   1.00 17.17 ? 316 GLU A CG  1 
ATOM   334 C  CD  . GLU A 1 62  ? -5.187  -14.108 7.494   1.00 19.95 ? 316 GLU A CD  1 
ATOM   335 O  OE1 . GLU A 1 62  ? -4.662  -15.044 8.173   1.00 22.17 ? 316 GLU A OE1 1 
ATOM   336 O  OE2 . GLU A 1 62  ? -6.408  -13.857 7.483   1.00 21.29 ? 316 GLU A OE2 1 
ATOM   337 N  N   . VAL A 1 63  ? -2.666  -14.417 3.362   1.00 12.33 ? 317 VAL A N   1 
ATOM   338 C  CA  . VAL A 1 63  ? -3.224  -14.502 1.983   1.00 12.14 ? 317 VAL A CA  1 
ATOM   339 C  C   . VAL A 1 63  ? -3.399  -15.986 1.623   1.00 12.63 ? 317 VAL A C   1 
ATOM   340 O  O   . VAL A 1 63  ? -4.474  -16.368 1.129   1.00 12.25 ? 317 VAL A O   1 
ATOM   341 C  CB  . VAL A 1 63  ? -2.374  -13.761 0.938   1.00 12.55 ? 317 VAL A CB  1 
ATOM   342 C  CG1 . VAL A 1 63  ? -2.960  -13.923 -0.449  1.00 13.04 ? 317 VAL A CG1 1 
ATOM   343 C  CG2 . VAL A 1 63  ? -2.211  -12.290 1.290   1.00 12.75 ? 317 VAL A CG2 1 
ATOM   344 N  N   . ALA A 1 64  ? -2.384  -16.816 1.887   1.00 12.20 ? 318 ALA A N   1 
ATOM   345 C  CA  . ALA A 1 64  ? -2.456  -18.262 1.558   1.00 13.57 ? 318 ALA A CA  1 
ATOM   346 C  C   . ALA A 1 64  ? -3.599  -18.905 2.354   1.00 13.42 ? 318 ALA A C   1 
ATOM   347 O  O   . ALA A 1 64  ? -4.359  -19.714 1.762   1.00 13.61 ? 318 ALA A O   1 
ATOM   348 C  CB  . ALA A 1 64  ? -1.138  -18.929 1.839   1.00 13.79 ? 318 ALA A CB  1 
ATOM   349 N  N   . ARG A 1 65  ? -3.729  -18.569 3.636   1.00 14.12 ? 319 ARG A N   1 
ATOM   350 C  CA  . ARG A 1 65  ? -4.800  -19.123 4.504   1.00 14.99 ? 319 ARG A CA  1 
ATOM   351 C  C   . ARG A 1 65  ? -6.157  -18.762 3.899   1.00 15.40 ? 319 ARG A C   1 
ATOM   352 O  O   . ARG A 1 65  ? -7.004  -19.660 3.753   1.00 15.13 ? 319 ARG A O   1 
ATOM   353 C  CB  . ARG A 1 65  ? -4.684  -18.628 5.945   1.00 16.45 ? 319 ARG A CB  1 
ATOM   354 C  CG  . ARG A 1 65  ? -5.653  -19.324 6.889   1.00 18.48 ? 319 ARG A CG  1 
ATOM   355 C  CD  . ARG A 1 65  ? -5.786  -18.633 8.226   1.00 20.11 ? 319 ARG A CD  1 
ATOM   356 N  NE  . ARG A 1 65  ? -6.441  -17.337 8.126   1.00 22.50 ? 319 ARG A NE  1 
ATOM   357 C  CZ  . ARG A 1 65  ? -7.750  -17.133 7.979   1.00 24.34 ? 319 ARG A CZ  1 
ATOM   358 N  NH1 . ARG A 1 65  ? -8.588  -18.155 7.902   1.00 26.35 ? 319 ARG A NH1 1 
ATOM   359 N  NH2 . ARG A 1 65  ? -8.213  -15.894 7.884   1.00 25.18 ? 319 ARG A NH2 1 
ATOM   360 N  N   . ARG A 1 66  ? -6.347  -17.502 3.506   1.00 14.85 ? 320 ARG A N   1 
ATOM   361 C  CA  . ARG A 1 66  ? -7.650  -17.055 2.957   1.00 15.47 ? 320 ARG A CA  1 
ATOM   362 C  C   . ARG A 1 66  ? -7.942  -17.752 1.626   1.00 14.36 ? 320 ARG A C   1 
ATOM   363 O  O   . ARG A 1 66  ? -9.125  -18.095 1.396   1.00 15.42 ? 320 ARG A O   1 
ATOM   364 C  CB  . ARG A 1 66  ? -7.667  -15.538 2.824   1.00 16.40 ? 320 ARG A CB  1 
ATOM   365 C  CG  . ARG A 1 66  ? -7.686  -14.842 4.172   1.00 17.92 ? 320 ARG A CG  1 
ATOM   366 C  CD  . ARG A 1 66  ? -7.857  -13.370 3.955   1.00 20.92 ? 320 ARG A CD  1 
ATOM   367 N  NE  . ARG A 1 66  ? -7.567  -12.628 5.165   1.00 26.05 ? 320 ARG A NE  1 
ATOM   368 C  CZ  . ARG A 1 66  ? -7.960  -11.383 5.378   1.00 28.26 ? 320 ARG A CZ  1 
ATOM   369 N  NH1 . ARG A 1 66  ? -8.715  -10.776 4.474   1.00 28.05 ? 320 ARG A NH1 1 
ATOM   370 N  NH2 . ARG A 1 66  ? -7.623  -10.777 6.502   1.00 29.48 ? 320 ARG A NH2 1 
ATOM   371 N  N   . TRP A 1 67  ? -6.936  -17.929 0.772   1.00 13.80 ? 321 TRP A N   1 
ATOM   372 C  CA  . TRP A 1 67  ? -7.057  -18.671 -0.507  1.00 14.29 ? 321 TRP A CA  1 
ATOM   373 C  C   . TRP A 1 67  ? -7.455  -20.133 -0.227  1.00 14.52 ? 321 TRP A C   1 
ATOM   374 O  O   . TRP A 1 67  ? -8.396  -20.616 -0.869  1.00 14.38 ? 321 TRP A O   1 
ATOM   375 C  CB  . TRP A 1 67  ? -5.753  -18.565 -1.297  1.00 14.60 ? 321 TRP A CB  1 
ATOM   376 C  CG  . TRP A 1 67  ? -5.725  -19.334 -2.578  1.00 14.88 ? 321 TRP A CG  1 
ATOM   377 C  CD1 . TRP A 1 67  ? -4.795  -20.275 -2.915  1.00 15.39 ? 321 TRP A CD1 1 
ATOM   378 C  CD2 . TRP A 1 67  ? -6.625  -19.235 -3.701  1.00 15.26 ? 321 TRP A CD2 1 
ATOM   379 N  NE1 . TRP A 1 67  ? -5.046  -20.761 -4.168  1.00 16.76 ? 321 TRP A NE1 1 
ATOM   380 C  CE2 . TRP A 1 67  ? -6.158  -20.144 -4.674  1.00 15.52 ? 321 TRP A CE2 1 
ATOM   381 C  CE3 . TRP A 1 67  ? -7.770  -18.481 -3.990  1.00 15.13 ? 321 TRP A CE3 1 
ATOM   382 C  CZ2 . TRP A 1 67  ? -6.786  -20.308 -5.906  1.00 16.23 ? 321 TRP A CZ2 1 
ATOM   383 C  CZ3 . TRP A 1 67  ? -8.394  -18.644 -5.211  1.00 15.71 ? 321 TRP A CZ3 1 
ATOM   384 C  CH2 . TRP A 1 67  ? -7.902  -19.541 -6.154  1.00 15.84 ? 321 TRP A CH2 1 
ATOM   385 N  N   . GLY A 1 68  ? -6.794  -20.784 0.729   1.00 16.13 ? 322 GLY A N   1 
ATOM   386 C  CA  . GLY A 1 68  ? -7.123  -22.158 1.161   1.00 16.62 ? 322 GLY A CA  1 
ATOM   387 C  C   . GLY A 1 68  ? -8.568  -22.270 1.629   1.00 17.85 ? 322 GLY A C   1 
ATOM   388 O  O   . GLY A 1 68  ? -9.224  -23.255 1.262   1.00 18.53 ? 322 GLY A O   1 
ATOM   389 N  N   . GLU A 1 69  ? -9.052  -21.286 2.392   1.00 18.50 ? 323 GLU A N   1 
ATOM   390 C  CA  . GLU A 1 69  ? -10.437 -21.234 2.935   1.00 20.44 ? 323 GLU A CA  1 
ATOM   391 C  C   . GLU A 1 69  ? -11.430 -21.099 1.769   1.00 20.33 ? 323 GLU A C   1 
ATOM   392 O  O   . GLU A 1 69  ? -12.442 -21.847 1.739   1.00 19.39 ? 323 GLU A O   1 
ATOM   393 C  CB  . GLU A 1 69  ? -10.475 -20.082 3.930   1.00 23.88 ? 323 GLU A CB  1 
ATOM   394 C  CG  . GLU A 1 69  ? -11.831 -19.686 4.466   1.00 28.41 ? 323 GLU A CG  1 
ATOM   395 C  CD  . GLU A 1 69  ? -11.688 -18.610 5.532   1.00 32.00 ? 323 GLU A CD  1 
ATOM   396 O  OE1 . GLU A 1 69  ? -11.442 -18.974 6.707   1.00 39.56 ? 323 GLU A OE1 1 
ATOM   397 O  OE2 . GLU A 1 69  ? -11.757 -17.403 5.182   1.00 34.18 ? 323 GLU A OE2 1 
ATOM   398 N  N   . ARG A 1 70  ? -11.147 -20.215 0.807   1.00 17.97 ? 324 ARG A N   1 
ATOM   399 C  CA  . ARG A 1 70  ? -12.033 -19.973 -0.361  1.00 17.57 ? 324 ARG A CA  1 
ATOM   400 C  C   . ARG A 1 70  ? -12.118 -21.236 -1.216  1.00 16.90 ? 324 ARG A C   1 
ATOM   401 O  O   . ARG A 1 70  ? -13.210 -21.557 -1.673  1.00 17.16 ? 324 ARG A O   1 
ATOM   402 C  CB  . ARG A 1 70  ? -11.543 -18.800 -1.221  1.00 17.29 ? 324 ARG A CB  1 
ATOM   403 C  CG  . ARG A 1 70  ? -12.415 -18.527 -2.440  1.00 17.63 ? 324 ARG A CG  1 
ATOM   404 C  CD  . ARG A 1 70  ? -13.821 -18.084 -2.082  1.00 18.15 ? 324 ARG A CD  1 
ATOM   405 N  NE  . ARG A 1 70  ? -13.780 -16.759 -1.503  1.00 19.02 ? 324 ARG A NE  1 
ATOM   406 C  CZ  . ARG A 1 70  ? -13.790 -15.618 -2.194  1.00 19.21 ? 324 ARG A CZ  1 
ATOM   407 N  NH1 . ARG A 1 70  ? -13.871 -15.614 -3.514  1.00 18.46 ? 324 ARG A NH1 1 
ATOM   408 N  NH2 . ARG A 1 70  ? -13.714 -14.479 -1.533  1.00 21.35 ? 324 ARG A NH2 1 
ATOM   409 N  N   . LYS A 1 71  ? -11.003 -21.932 -1.418  1.00 16.62 ? 325 LYS A N   1 
ATOM   410 C  CA  . LYS A 1 71  ? -10.946 -23.102 -2.322  1.00 17.67 ? 325 LYS A CA  1 
ATOM   411 C  C   . LYS A 1 71  ? -11.134 -24.398 -1.528  1.00 18.60 ? 325 LYS A C   1 
ATOM   412 O  O   . LYS A 1 71  ? -11.098 -25.444 -2.174  1.00 20.75 ? 325 LYS A O   1 
ATOM   413 C  CB  . LYS A 1 71  ? -9.617  -23.086 -3.084  1.00 18.31 ? 325 LYS A CB  1 
ATOM   414 C  CG  . LYS A 1 71  ? -9.380  -21.817 -3.898  1.00 18.39 ? 325 LYS A CG  1 
ATOM   415 C  CD  . LYS A 1 71  ? -10.415 -21.535 -4.968  1.00 19.71 ? 325 LYS A CD  1 
ATOM   416 C  CE  . LYS A 1 71  ? -10.371 -22.506 -6.126  1.00 20.19 ? 325 LYS A CE  1 
ATOM   417 N  NZ  . LYS A 1 71  ? -11.305 -22.112 -7.208  1.00 21.84 ? 325 LYS A NZ  1 
ATOM   418 N  N   . SER A 1 72  ? -11.286 -24.309 -0.202  1.00 21.22 ? 326 SER A N   1 
ATOM   419 C  CA  . SER A 1 72  ? -11.290 -25.447 0.752   1.00 22.93 ? 326 SER A CA  1 
ATOM   420 C  C   . SER A 1 72  ? -10.179 -26.422 0.347   1.00 25.08 ? 326 SER A C   1 
ATOM   421 O  O   . SER A 1 72  ? -10.454 -27.613 0.111   1.00 26.62 ? 326 SER A O   1 
ATOM   422 C  CB  . SER A 1 72  ? -12.656 -26.088 0.788   1.00 22.44 ? 326 SER A CB  1 
ATOM   423 O  OG  . SER A 1 72  ? -12.738 -27.030 1.838   1.00 21.90 ? 326 SER A OG  1 
ATOM   424 N  N   . LYS A 1 73  ? -8.954  -25.910 0.212   1.00 26.72 ? 327 LYS A N   1 
ATOM   425 C  CA  . LYS A 1 73  ? -7.765  -26.723 -0.146  1.00 29.17 ? 327 LYS A CA  1 
ATOM   426 C  C   . LYS A 1 73  ? -7.006  -26.977 1.146   1.00 30.24 ? 327 LYS A C   1 
ATOM   427 O  O   . LYS A 1 73  ? -6.459  -26.050 1.734   1.00 26.62 ? 327 LYS A O   1 
ATOM   428 C  CB  . LYS A 1 73  ? -6.916  -26.029 -1.213  1.00 31.22 ? 327 LYS A CB  1 
ATOM   429 C  CG  . LYS A 1 73  ? -7.438  -26.199 -2.634  1.00 33.32 ? 327 LYS A CG  1 
ATOM   430 C  CD  . LYS A 1 73  ? -6.528  -25.646 -3.699  1.00 37.33 ? 327 LYS A CD  1 
ATOM   431 C  CE  . LYS A 1 73  ? -6.529  -26.477 -4.967  1.00 40.88 ? 327 LYS A CE  1 
ATOM   432 N  NZ  . LYS A 1 73  ? -7.881  -26.570 -5.568  1.00 42.22 ? 327 LYS A NZ  1 
ATOM   433 N  N   . PRO A 1 74  ? -6.985  -28.229 1.660   1.00 33.99 ? 328 PRO A N   1 
ATOM   434 C  CA  . PRO A 1 74  ? -6.266  -28.510 2.895   1.00 35.61 ? 328 PRO A CA  1 
ATOM   435 C  C   . PRO A 1 74  ? -4.774  -28.266 2.640   1.00 33.28 ? 328 PRO A C   1 
ATOM   436 O  O   . PRO A 1 74  ? -4.311  -28.536 1.549   1.00 33.35 ? 328 PRO A O   1 
ATOM   437 C  CB  . PRO A 1 74  ? -6.578  -29.985 3.190   1.00 36.20 ? 328 PRO A CB  1 
ATOM   438 C  CG  . PRO A 1 74  ? -6.910  -30.568 1.831   1.00 37.25 ? 328 PRO A CG  1 
ATOM   439 C  CD  . PRO A 1 74  ? -7.574  -29.440 1.064   1.00 35.89 ? 328 PRO A CD  1 
ATOM   440 N  N   . ASN A 1 75  ? -4.075  -27.727 3.633   1.00 35.11 ? 329 ASN A N   1 
ATOM   441 C  CA  . ASN A 1 75  ? -2.596  -27.597 3.613   1.00 35.92 ? 329 ASN A CA  1 
ATOM   442 C  C   . ASN A 1 75  ? -2.183  -26.552 2.574   1.00 32.61 ? 329 ASN A C   1 
ATOM   443 O  O   . ASN A 1 75  ? -1.011  -26.577 2.151   1.00 31.57 ? 329 ASN A O   1 
ATOM   444 C  CB  . ASN A 1 75  ? -1.916  -28.941 3.325   1.00 38.20 ? 329 ASN A CB  1 
ATOM   445 C  CG  . ASN A 1 75  ? -2.334  -30.017 4.301   1.00 39.16 ? 329 ASN A CG  1 
ATOM   446 O  OD1 . ASN A 1 75  ? -2.405  -29.769 5.501   1.00 39.46 ? 329 ASN A OD1 1 
ATOM   447 N  ND2 . ASN A 1 75  ? -2.602  -31.208 3.794   1.00 40.91 ? 329 ASN A ND2 1 
ATOM   448 N  N   . MET A 1 76  ? -3.090  -25.647 2.183   1.00 28.53 ? 330 MET A N   1 
ATOM   449 C  CA  . MET A 1 76  ? -2.686  -24.456 1.395   1.00 25.42 ? 330 MET A CA  1 
ATOM   450 C  C   . MET A 1 76  ? -1.686  -23.687 2.260   1.00 24.11 ? 330 MET A C   1 
ATOM   451 O  O   . MET A 1 76  ? -1.866  -23.621 3.488   1.00 25.09 ? 330 MET A O   1 
ATOM   452 C  CB  . MET A 1 76  ? -3.871  -23.560 1.019   1.00 24.00 ? 330 MET A CB  1 
ATOM   453 C  CG  . MET A 1 76  ? -3.497  -22.354 0.161   1.00 22.99 ? 330 MET A CG  1 
ATOM   454 S  SD  . MET A 1 76  ? -2.459  -22.715 -1.286  1.00 22.18 ? 330 MET A SD  1 
ATOM   455 C  CE  . MET A 1 76  ? -3.576  -23.748 -2.232  1.00 24.14 ? 330 MET A CE  1 
ATOM   456 N  N   . ASN A 1 77  ? -0.630  -23.184 1.638   1.00 22.47 ? 331 ASN A N   1 
ATOM   457 C  CA  . ASN A 1 77  ? 0.471   -22.488 2.342   1.00 21.31 ? 331 ASN A CA  1 
ATOM   458 C  C   . ASN A 1 77  ? 1.163   -21.584 1.325   1.00 18.98 ? 331 ASN A C   1 
ATOM   459 O  O   . ASN A 1 77  ? 0.817   -21.654 0.127   1.00 18.22 ? 331 ASN A O   1 
ATOM   460 C  CB  . ASN A 1 77  ? 1.400   -23.498 3.025   1.00 22.15 ? 331 ASN A CB  1 
ATOM   461 C  CG  . ASN A 1 77  ? 2.003   -24.485 2.053   1.00 22.36 ? 331 ASN A CG  1 
ATOM   462 O  OD1 . ASN A 1 77  ? 2.316   -24.128 0.922   1.00 22.52 ? 331 ASN A OD1 1 
ATOM   463 N  ND2 . ASN A 1 77  ? 2.163   -25.725 2.484   1.00 24.34 ? 331 ASN A ND2 1 
ATOM   464 N  N   . TYR A 1 78  ? 2.126   -20.781 1.765   1.00 18.99 ? 332 TYR A N   1 
ATOM   465 C  CA  . TYR A 1 78  ? 2.790   -19.798 0.874   1.00 19.84 ? 332 TYR A CA  1 
ATOM   466 C  C   . TYR A 1 78  ? 3.554   -20.534 -0.237  1.00 19.28 ? 332 TYR A C   1 
ATOM   467 O  O   . TYR A 1 78  ? 3.560   -20.066 -1.387  1.00 19.63 ? 332 TYR A O   1 
ATOM   468 C  CB  . TYR A 1 78  ? 3.699   -18.823 1.626   1.00 19.84 ? 332 TYR A CB  1 
ATOM   469 C  CG  . TYR A 1 78  ? 4.297   -17.847 0.655   1.00 20.37 ? 332 TYR A CG  1 
ATOM   470 C  CD1 . TYR A 1 78  ? 3.487   -16.947 -0.020  1.00 20.80 ? 332 TYR A CD1 1 
ATOM   471 C  CD2 . TYR A 1 78  ? 5.630   -17.923 0.278   1.00 21.40 ? 332 TYR A CD2 1 
ATOM   472 C  CE1 . TYR A 1 78  ? 3.989   -16.108 -0.998  1.00 21.79 ? 332 TYR A CE1 1 
ATOM   473 C  CE2 . TYR A 1 78  ? 6.150   -17.087 -0.697  1.00 22.68 ? 332 TYR A CE2 1 
ATOM   474 C  CZ  . TYR A 1 78  ? 5.335   -16.161 -1.322  1.00 22.80 ? 332 TYR A CZ  1 
ATOM   475 O  OH  . TYR A 1 78  ? 5.839   -15.337 -2.288  1.00 26.57 ? 332 TYR A OH  1 
ATOM   476 N  N   . ASP A 1 79  ? 4.198   -21.657 0.090   1.00 20.22 ? 333 ASP A N   1 
ATOM   477 C  CA  . ASP A 1 79  ? 4.925   -22.476 -0.908  1.00 21.44 ? 333 ASP A CA  1 
ATOM   478 C  C   . ASP A 1 79  ? 3.991   -22.756 -2.091  1.00 20.60 ? 333 ASP A C   1 
ATOM   479 O  O   . ASP A 1 79  ? 4.382   -22.495 -3.252  1.00 21.52 ? 333 ASP A O   1 
ATOM   480 C  CB  . ASP A 1 79  ? 5.431   -23.781 -0.297  1.00 24.04 ? 333 ASP A CB  1 
ATOM   481 C  CG  . ASP A 1 79  ? 6.112   -24.646 -1.342  1.00 27.84 ? 333 ASP A CG  1 
ATOM   482 O  OD1 . ASP A 1 79  ? 7.123   -24.187 -1.894  1.00 29.74 ? 333 ASP A OD1 1 
ATOM   483 O  OD2 . ASP A 1 79  ? 5.575   -25.728 -1.645  1.00 31.50 ? 333 ASP A OD2 1 
ATOM   484 N  N   . LYS A 1 80  ? 2.791   -23.260 -1.810  1.00 20.79 ? 334 LYS A N   1 
ATOM   485 C  CA  . LYS A 1 80  ? 1.808   -23.612 -2.871  1.00 21.78 ? 334 LYS A CA  1 
ATOM   486 C  C   . LYS A 1 80  ? 1.289   -22.345 -3.561  1.00 20.70 ? 334 LYS A C   1 
ATOM   487 O  O   . LYS A 1 80  ? 1.173   -22.353 -4.794  1.00 20.95 ? 334 LYS A O   1 
ATOM   488 C  CB  . LYS A 1 80  ? 0.684   -24.454 -2.270  1.00 23.27 ? 334 LYS A CB  1 
ATOM   489 C  CG  . LYS A 1 80  ? 1.122   -25.840 -1.831  1.00 26.44 ? 334 LYS A CG  1 
ATOM   490 C  CD  . LYS A 1 80  ? -0.015  -26.649 -1.287  1.00 29.01 ? 334 LYS A CD  1 
ATOM   491 C  CE  . LYS A 1 80  ? 0.451   -27.866 -0.520  1.00 30.85 ? 334 LYS A CE  1 
ATOM   492 N  NZ  . LYS A 1 80  ? -0.703  -28.660 -0.047  1.00 34.22 ? 334 LYS A NZ  1 
ATOM   493 N  N   . LEU A 1 81  ? 0.974   -21.290 -2.804  1.00 20.26 ? 335 LEU A N   1 
ATOM   494 C  CA  . LEU A 1 81  ? 0.481   -20.007 -3.368  1.00 20.43 ? 335 LEU A CA  1 
ATOM   495 C  C   . LEU A 1 81  ? 1.547   -19.451 -4.325  1.00 19.86 ? 335 LEU A C   1 
ATOM   496 O  O   . LEU A 1 81  ? 1.192   -18.990 -5.431  1.00 21.26 ? 335 LEU A O   1 
ATOM   497 C  CB  . LEU A 1 81  ? 0.182   -19.022 -2.230  1.00 20.07 ? 335 LEU A CB  1 
ATOM   498 C  CG  . LEU A 1 81  ? -0.290  -17.641 -2.686  1.00 20.70 ? 335 LEU A CG  1 
ATOM   499 C  CD1 . LEU A 1 81  ? -1.670  -17.744 -3.305  1.00 22.75 ? 335 LEU A CD1 1 
ATOM   500 C  CD2 . LEU A 1 81  ? -0.289  -16.625 -1.552  1.00 20.60 ? 335 LEU A CD2 1 
ATOM   501 N  N   . SER A 1 82  ? 2.811   -19.474 -3.912  1.00 21.11 ? 336 SER A N   1 
ATOM   502 C  CA  . SER A 1 82  ? 3.912   -18.886 -4.712  1.00 22.36 ? 336 SER A CA  1 
ATOM   503 C  C   . SER A 1 82  ? 4.046   -19.679 -6.017  1.00 23.16 ? 336 SER A C   1 
ATOM   504 O  O   . SER A 1 82  ? 4.223   -19.033 -7.055  1.00 24.44 ? 336 SER A O   1 
ATOM   505 C  CB  . SER A 1 82  ? 5.203   -18.797 -3.930  1.00 22.63 ? 336 SER A CB  1 
ATOM   506 O  OG  . SER A 1 82  ? 5.772   -20.072 -3.746  1.00 25.17 ? 336 SER A OG  1 
ATOM   507 N  N   . ARG A 1 83  ? 3.912   -21.010 -5.969  1.00 25.17 ? 337 ARG A N   1 
ATOM   508 C  CA  . ARG A 1 83  ? 3.919   -21.883 -7.180  1.00 27.27 ? 337 ARG A CA  1 
ATOM   509 C  C   . ARG A 1 83  ? 2.777   -21.442 -8.107  1.00 27.41 ? 337 ARG A C   1 
ATOM   510 O  O   . ARG A 1 83  ? 3.031   -21.250 -9.327  1.00 27.80 ? 337 ARG A O   1 
ATOM   511 C  CB  . ARG A 1 83  ? 3.793   -23.365 -6.811  1.00 30.80 ? 337 ARG A CB  1 
ATOM   512 C  CG  . ARG A 1 83  ? 5.041   -23.971 -6.177  1.00 35.35 ? 337 ARG A CG  1 
ATOM   513 C  CD  . ARG A 1 83  ? 4.813   -25.394 -5.684  1.00 38.91 ? 337 ARG A CD  1 
ATOM   514 N  NE  . ARG A 1 83  ? 5.945   -25.922 -4.931  1.00 41.30 ? 337 ARG A NE  1 
ATOM   515 C  CZ  . ARG A 1 83  ? 7.093   -26.346 -5.467  1.00 46.20 ? 337 ARG A CZ  1 
ATOM   516 N  NH1 . ARG A 1 83  ? 7.286   -26.304 -6.777  1.00 45.74 ? 337 ARG A NH1 1 
ATOM   517 N  NH2 . ARG A 1 83  ? 8.053   -26.813 -4.685  1.00 45.50 ? 337 ARG A NH2 1 
ATOM   518 N  N   . ALA A 1 84  ? 1.578   -21.232 -7.555  1.00 25.72 ? 338 ALA A N   1 
ATOM   519 C  CA  . ALA A 1 84  ? 0.374   -20.852 -8.335  1.00 25.73 ? 338 ALA A CA  1 
ATOM   520 C  C   . ALA A 1 84  ? 0.600   -19.497 -9.018  1.00 24.48 ? 338 ALA A C   1 
ATOM   521 O  O   . ALA A 1 84  ? 0.228   -19.356 -10.206 1.00 26.28 ? 338 ALA A O   1 
ATOM   522 C  CB  . ALA A 1 84  ? -0.856  -20.853 -7.456  1.00 24.97 ? 338 ALA A CB  1 
ATOM   523 N  N   . LEU A 1 85  ? 1.217   -18.535 -8.324  1.00 24.38 ? 339 LEU A N   1 
ATOM   524 C  CA  . LEU A 1 85  ? 1.501   -17.176 -8.862  1.00 25.48 ? 339 LEU A CA  1 
ATOM   525 C  C   . LEU A 1 85  ? 2.526   -17.254 -9.999  1.00 26.90 ? 339 LEU A C   1 
ATOM   526 O  O   . LEU A 1 85  ? 2.373   -16.491 -10.954 1.00 26.56 ? 339 LEU A O   1 
ATOM   527 C  CB  . LEU A 1 85  ? 2.004   -16.271 -7.733  1.00 26.22 ? 339 LEU A CB  1 
ATOM   528 C  CG  . LEU A 1 85  ? 0.953   -15.927 -6.678  1.00 26.95 ? 339 LEU A CG  1 
ATOM   529 C  CD1 . LEU A 1 85  ? 1.584   -15.292 -5.456  1.00 27.96 ? 339 LEU A CD1 1 
ATOM   530 C  CD2 . LEU A 1 85  ? -0.129  -15.027 -7.234  1.00 27.79 ? 339 LEU A CD2 1 
ATOM   531 N  N   . ARG A 1 86  ? 3.540   -18.115 -9.882  1.00 28.86 ? 340 ARG A N   1 
ATOM   532 C  CA  . ARG A 1 86  ? 4.612   -18.274 -10.908 1.00 34.09 ? 340 ARG A CA  1 
ATOM   533 C  C   . ARG A 1 86  ? 3.997   -18.768 -12.228 1.00 32.02 ? 340 ARG A C   1 
ATOM   534 O  O   . ARG A 1 86  ? 4.462   -18.313 -13.285 1.00 33.13 ? 340 ARG A O   1 
ATOM   535 C  CB  . ARG A 1 86  ? 5.721   -19.198 -10.391 1.00 36.37 ? 340 ARG A CB  1 
ATOM   536 C  CG  . ARG A 1 86  ? 6.508   -18.609 -9.227  1.00 41.54 ? 340 ARG A CG  1 
ATOM   537 C  CD  . ARG A 1 86  ? 7.895   -19.196 -9.042  1.00 43.62 ? 340 ARG A CD  1 
ATOM   538 N  NE  . ARG A 1 86  ? 7.870   -20.561 -8.533  1.00 46.98 ? 340 ARG A NE  1 
ATOM   539 C  CZ  . ARG A 1 86  ? 7.646   -20.906 -7.264  1.00 49.56 ? 340 ARG A CZ  1 
ATOM   540 N  NH1 . ARG A 1 86  ? 7.655   -22.182 -6.923  1.00 52.18 ? 340 ARG A NH1 1 
ATOM   541 N  NH2 . ARG A 1 86  ? 7.412   -19.988 -6.341  1.00 51.22 ? 340 ARG A NH2 1 
ATOM   542 N  N   . TYR A 1 87  ? 2.972   -19.624 -12.161 1.00 31.29 ? 341 TYR A N   1 
ATOM   543 C  CA  . TYR A 1 87  ? 2.166   -20.132 -13.308 1.00 32.21 ? 341 TYR A CA  1 
ATOM   544 C  C   . TYR A 1 87  ? 1.653   -18.956 -14.159 1.00 30.65 ? 341 TYR A C   1 
ATOM   545 O  O   . TYR A 1 87  ? 1.547   -19.088 -15.391 1.00 31.16 ? 341 TYR A O   1 
ATOM   546 C  CB  . TYR A 1 87  ? 1.047   -21.034 -12.774 1.00 36.84 ? 341 TYR A CB  1 
ATOM   547 C  CG  . TYR A 1 87  ? -0.006  -21.468 -13.764 1.00 40.47 ? 341 TYR A CG  1 
ATOM   548 C  CD1 . TYR A 1 87  ? 0.177   -22.581 -14.571 1.00 44.54 ? 341 TYR A CD1 1 
ATOM   549 C  CD2 . TYR A 1 87  ? -1.216  -20.796 -13.853 1.00 43.63 ? 341 TYR A CD2 1 
ATOM   550 C  CE1 . TYR A 1 87  ? -0.796  -22.991 -15.469 1.00 45.69 ? 341 TYR A CE1 1 
ATOM   551 C  CE2 . TYR A 1 87  ? -2.204  -21.197 -14.737 1.00 46.98 ? 341 TYR A CE2 1 
ATOM   552 C  CZ  . TYR A 1 87  ? -1.992  -22.298 -15.551 1.00 47.96 ? 341 TYR A CZ  1 
ATOM   553 O  OH  . TYR A 1 87  ? -2.958  -22.690 -16.432 1.00 52.46 ? 341 TYR A OH  1 
ATOM   554 N  N   . TYR A 1 88  ? 1.362   -17.810 -13.543 1.00 23.40 ? 342 TYR A N   1 
ATOM   555 C  CA  . TYR A 1 88  ? 0.792   -16.629 -14.243 1.00 23.30 ? 342 TYR A CA  1 
ATOM   556 C  C   . TYR A 1 88  ? 1.863   -15.854 -15.019 1.00 23.40 ? 342 TYR A C   1 
ATOM   557 O  O   . TYR A 1 88  ? 1.447   -15.042 -15.856 1.00 23.37 ? 342 TYR A O   1 
ATOM   558 C  CB  . TYR A 1 88  ? 0.112   -15.674 -13.260 1.00 21.05 ? 342 TYR A CB  1 
ATOM   559 C  CG  . TYR A 1 88  ? -1.226  -16.136 -12.737 1.00 19.82 ? 342 TYR A CG  1 
ATOM   560 C  CD1 . TYR A 1 88  ? -2.143  -16.784 -13.548 1.00 19.52 ? 342 TYR A CD1 1 
ATOM   561 C  CD2 . TYR A 1 88  ? -1.588  -15.888 -11.420 1.00 20.34 ? 342 TYR A CD2 1 
ATOM   562 C  CE1 . TYR A 1 88  ? -3.381  -17.178 -13.069 1.00 19.13 ? 342 TYR A CE1 1 
ATOM   563 C  CE2 . TYR A 1 88  ? -2.821  -16.273 -10.926 1.00 19.70 ? 342 TYR A CE2 1 
ATOM   564 C  CZ  . TYR A 1 88  ? -3.715  -16.930 -11.750 1.00 19.40 ? 342 TYR A CZ  1 
ATOM   565 O  OH  . TYR A 1 88  ? -4.935  -17.307 -11.273 1.00 20.10 ? 342 TYR A OH  1 
ATOM   566 N  N   . TYR A 1 89  ? 3.153   -16.070 -14.742 1.00 27.84 ? 343 TYR A N   1 
ATOM   567 C  CA  . TYR A 1 89  ? 4.266   -15.309 -15.372 1.00 31.92 ? 343 TYR A CA  1 
ATOM   568 C  C   . TYR A 1 89  ? 4.196   -15.526 -16.885 1.00 31.82 ? 343 TYR A C   1 
ATOM   569 O  O   . TYR A 1 89  ? 4.228   -14.535 -17.630 1.00 35.71 ? 343 TYR A O   1 
ATOM   570 C  CB  . TYR A 1 89  ? 5.648   -15.700 -14.837 1.00 36.24 ? 343 TYR A CB  1 
ATOM   571 C  CG  . TYR A 1 89  ? 5.887   -15.536 -13.352 1.00 42.50 ? 343 TYR A CG  1 
ATOM   572 C  CD1 . TYR A 1 89  ? 4.999   -14.861 -12.524 1.00 44.86 ? 343 TYR A CD1 1 
ATOM   573 C  CD2 . TYR A 1 89  ? 7.040   -16.047 -12.776 1.00 45.31 ? 343 TYR A CD2 1 
ATOM   574 C  CE1 . TYR A 1 89  ? 5.240   -14.721 -11.164 1.00 48.48 ? 343 TYR A CE1 1 
ATOM   575 C  CE2 . TYR A 1 89  ? 7.302   -15.909 -11.422 1.00 47.69 ? 343 TYR A CE2 1 
ATOM   576 C  CZ  . TYR A 1 89  ? 6.398   -15.245 -10.611 1.00 49.54 ? 343 TYR A CZ  1 
ATOM   577 O  OH  . TYR A 1 89  ? 6.657   -15.129 -9.275  1.00 54.67 ? 343 TYR A OH  1 
ATOM   578 N  N   . ASP A 1 90  ? 4.030   -16.776 -17.324 1.00 30.44 ? 344 ASP A N   1 
ATOM   579 C  CA  . ASP A 1 90  ? 4.075   -17.133 -18.769 1.00 31.80 ? 344 ASP A CA  1 
ATOM   580 C  C   . ASP A 1 90  ? 2.705   -16.926 -19.418 1.00 27.71 ? 344 ASP A C   1 
ATOM   581 O  O   . ASP A 1 90  ? 2.616   -17.123 -20.645 1.00 28.57 ? 344 ASP A O   1 
ATOM   582 C  CB  . ASP A 1 90  ? 4.593   -18.557 -18.981 1.00 37.68 ? 344 ASP A CB  1 
ATOM   583 C  CG  . ASP A 1 90  ? 6.099   -18.658 -18.826 1.00 42.59 ? 344 ASP A CG  1 
ATOM   584 O  OD1 . ASP A 1 90  ? 6.615   -18.164 -17.800 1.00 50.97 ? 344 ASP A OD1 1 
ATOM   585 O  OD2 . ASP A 1 90  ? 6.745   -19.219 -19.735 1.00 51.32 ? 344 ASP A OD2 1 
ATOM   586 N  N   . LYS A 1 91  ? 1.683   -16.533 -18.653 1.00 25.86 ? 345 LYS A N   1 
ATOM   587 C  CA  . LYS A 1 91  ? 0.287   -16.361 -19.134 1.00 25.96 ? 345 LYS A CA  1 
ATOM   588 C  C   . LYS A 1 91  ? -0.089  -14.880 -19.287 1.00 23.09 ? 345 LYS A C   1 
ATOM   589 O  O   . LYS A 1 91  ? -1.275  -14.615 -19.585 1.00 21.97 ? 345 LYS A O   1 
ATOM   590 C  CB  . LYS A 1 91  ? -0.699  -16.995 -18.153 1.00 30.54 ? 345 LYS A CB  1 
ATOM   591 C  CG  . LYS A 1 91  ? -0.671  -18.514 -18.073 1.00 34.49 ? 345 LYS A CG  1 
ATOM   592 C  CD  . LYS A 1 91  ? -1.721  -19.054 -17.131 1.00 40.02 ? 345 LYS A CD  1 
ATOM   593 C  CE  . LYS A 1 91  ? -3.144  -18.852 -17.622 1.00 43.23 ? 345 LYS A CE  1 
ATOM   594 N  NZ  . LYS A 1 91  ? -4.102  -18.655 -16.505 1.00 43.95 ? 345 LYS A NZ  1 
ATOM   595 N  N   . ASN A 1 92  ? 0.854   -13.952 -19.086 1.00 20.61 ? 346 ASN A N   1 
ATOM   596 C  CA  . ASN A 1 92  ? 0.614   -12.485 -19.196 1.00 20.03 ? 346 ASN A CA  1 
ATOM   597 C  C   . ASN A 1 92  ? -0.492  -12.058 -18.222 1.00 19.06 ? 346 ASN A C   1 
ATOM   598 O  O   . ASN A 1 92  ? -1.267  -11.138 -18.570 1.00 17.50 ? 346 ASN A O   1 
ATOM   599 C  CB  . ASN A 1 92  ? 0.185   -12.058 -20.609 1.00 21.88 ? 346 ASN A CB  1 
ATOM   600 C  CG  . ASN A 1 92  ? 1.163   -12.442 -21.695 1.00 24.36 ? 346 ASN A CG  1 
ATOM   601 O  OD1 . ASN A 1 92  ? 0.790   -13.083 -22.681 1.00 28.73 ? 346 ASN A OD1 1 
ATOM   602 N  ND2 . ASN A 1 92  ? 2.398   -12.008 -21.543 1.00 24.10 ? 346 ASN A ND2 1 
ATOM   603 N  N   . ILE A 1 93  ? -0.570  -12.673 -17.034 1.00 17.02 ? 347 ILE A N   1 
ATOM   604 C  CA  . ILE A 1 93  ? -1.571  -12.304 -15.986 1.00 18.71 ? 347 ILE A CA  1 
ATOM   605 C  C   . ILE A 1 93  ? -0.865  -11.543 -14.857 1.00 18.34 ? 347 ILE A C   1 
ATOM   606 O  O   . ILE A 1 93  ? -1.485  -10.620 -14.282 1.00 18.20 ? 347 ILE A O   1 
ATOM   607 C  CB  . ILE A 1 93  ? -2.297  -13.566 -15.464 1.00 20.08 ? 347 ILE A CB  1 
ATOM   608 C  CG1 . ILE A 1 93  ? -3.176  -14.205 -16.539 1.00 22.75 ? 347 ILE A CG1 1 
ATOM   609 C  CG2 . ILE A 1 93  ? -3.091  -13.283 -14.197 1.00 20.88 ? 347 ILE A CG2 1 
ATOM   610 C  CD1 . ILE A 1 93  ? -4.338  -13.355 -16.944 1.00 23.35 ? 347 ILE A CD1 1 
ATOM   611 N  N   . MET A 1 94  ? 0.367   -11.922 -14.543 1.00 18.86 ? 348 MET A N   1 
ATOM   612 C  CA  . MET A 1 94  ? 1.100   -11.412 -13.354 1.00 23.67 ? 348 MET A CA  1 
ATOM   613 C  C   . MET A 1 94  ? 2.596   -11.641 -13.541 1.00 28.57 ? 348 MET A C   1 
ATOM   614 O  O   . MET A 1 94  ? 2.972   -12.615 -14.232 1.00 30.12 ? 348 MET A O   1 
ATOM   615 C  CB  . MET A 1 94  ? 0.630   -12.159 -12.101 1.00 26.49 ? 348 MET A CB  1 
ATOM   616 C  CG  . MET A 1 94  ? 0.743   -11.367 -10.831 1.00 30.71 ? 348 MET A CG  1 
ATOM   617 S  SD  . MET A 1 94  ? 0.254   -12.399 -9.438  1.00 31.22 ? 348 MET A SD  1 
ATOM   618 C  CE  . MET A 1 94  ? -1.522  -12.439 -9.689  1.00 28.90 ? 348 MET A CE  1 
ATOM   619 N  N   . THR A 1 95  ? 3.420   -10.800 -12.916 1.00 27.63 ? 349 THR A N   1 
ATOM   620 C  CA  . THR A 1 95  ? 4.872   -11.053 -12.739 1.00 28.87 ? 349 THR A CA  1 
ATOM   621 C  C   . THR A 1 95  ? 5.273   -10.768 -11.294 1.00 27.87 ? 349 THR A C   1 
ATOM   622 O  O   . THR A 1 95  ? 4.502   -10.093 -10.583 1.00 27.54 ? 349 THR A O   1 
ATOM   623 C  CB  . THR A 1 95  ? 5.702   -10.206 -13.703 1.00 30.15 ? 349 THR A CB  1 
ATOM   624 O  OG1 . THR A 1 95  ? 5.277   -8.860  -13.492 1.00 33.59 ? 349 THR A OG1 1 
ATOM   625 C  CG2 . THR A 1 95  ? 5.520   -10.624 -15.146 1.00 31.96 ? 349 THR A CG2 1 
ATOM   626 N  N   . LYS A 1 96  ? 6.436   -11.290 -10.896 1.00 29.10 ? 350 LYS A N   1 
ATOM   627 C  CA  . LYS A 1 96  ? 7.103   -10.979 -9.605  1.00 30.92 ? 350 LYS A CA  1 
ATOM   628 C  C   . LYS A 1 96  ? 7.806   -9.636  -9.791  1.00 30.48 ? 350 LYS A C   1 
ATOM   629 O  O   . LYS A 1 96  ? 8.331   -9.384  -10.882 1.00 30.06 ? 350 LYS A O   1 
ATOM   630 C  CB  . LYS A 1 96  ? 8.095   -12.085 -9.229  1.00 34.16 ? 350 LYS A CB  1 
ATOM   631 C  CG  . LYS A 1 96  ? 8.764   -11.960 -7.864  1.00 38.50 ? 350 LYS A CG  1 
ATOM   632 C  CD  . LYS A 1 96  ? 8.040   -12.680 -6.743  1.00 42.55 ? 350 LYS A CD  1 
ATOM   633 C  CE  . LYS A 1 96  ? 8.929   -12.975 -5.547  1.00 44.15 ? 350 LYS A CE  1 
ATOM   634 N  NZ  . LYS A 1 96  ? 8.177   -12.910 -4.267  1.00 44.45 ? 350 LYS A NZ  1 
ATOM   635 N  N   . VAL A 1 97  ? 7.785   -8.793  -8.766  1.00 29.44 ? 351 VAL A N   1 
ATOM   636 C  CA  . VAL A 1 97  ? 8.490   -7.488  -8.795  1.00 29.89 ? 351 VAL A CA  1 
ATOM   637 C  C   . VAL A 1 97  ? 9.816   -7.687  -8.061  1.00 33.70 ? 351 VAL A C   1 
ATOM   638 O  O   . VAL A 1 97  ? 9.784   -8.024  -6.853  1.00 32.43 ? 351 VAL A O   1 
ATOM   639 C  CB  . VAL A 1 97  ? 7.602   -6.391  -8.191  1.00 28.53 ? 351 VAL A CB  1 
ATOM   640 C  CG1 . VAL A 1 97  ? 8.386   -5.114  -7.947  1.00 27.99 ? 351 VAL A CG1 1 
ATOM   641 C  CG2 . VAL A 1 97  ? 6.381   -6.151  -9.077  1.00 26.96 ? 351 VAL A CG2 1 
ATOM   642 N  N   . HIS A 1 98  ? 10.927  -7.530  -8.790  1.00 36.94 ? 352 HIS A N   1 
ATOM   643 C  CA  . HIS A 1 98  ? 12.313  -7.752  -8.296  1.00 40.78 ? 352 HIS A CA  1 
ATOM   644 C  C   . HIS A 1 98  ? 12.680  -6.647  -7.305  1.00 38.82 ? 352 HIS A C   1 
ATOM   645 O  O   . HIS A 1 98  ? 12.272  -5.488  -7.532  1.00 38.18 ? 352 HIS A O   1 
ATOM   646 C  CB  . HIS A 1 98  ? 13.312  -7.813  -9.461  1.00 44.37 ? 352 HIS A CB  1 
ATOM   647 C  CG  . HIS A 1 98  ? 12.979  -8.836  -10.495 1.00 49.66 ? 352 HIS A CG  1 
ATOM   648 N  ND1 . HIS A 1 98  ? 12.673  -10.145 -10.169 1.00 54.32 ? 352 HIS A ND1 1 
ATOM   649 C  CD2 . HIS A 1 98  ? 12.905  -8.752  -11.842 1.00 52.97 ? 352 HIS A CD2 1 
ATOM   650 C  CE1 . HIS A 1 98  ? 12.423  -10.823 -11.272 1.00 55.12 ? 352 HIS A CE1 1 
ATOM   651 N  NE2 . HIS A 1 98  ? 12.561  -9.991  -12.314 1.00 54.92 ? 352 HIS A NE2 1 
ATOM   652 N  N   . GLY A 1 99  ? 13.417  -7.006  -6.251  1.00 39.16 ? 353 GLY A N   1 
ATOM   653 C  CA  . GLY A 1 99  ? 13.999  -6.068  -5.273  1.00 38.54 ? 353 GLY A CA  1 
ATOM   654 C  C   . GLY A 1 99  ? 13.002  -5.619  -4.223  1.00 37.24 ? 353 GLY A C   1 
ATOM   655 O  O   . GLY A 1 99  ? 13.300  -4.629  -3.529  1.00 40.38 ? 353 GLY A O   1 
ATOM   656 N  N   . LYS A 1 100 ? 11.865  -6.313  -4.092  1.00 33.90 ? 354 LYS A N   1 
ATOM   657 C  CA  . LYS A 1 100 ? 10.831  -6.010  -3.066  1.00 32.88 ? 354 LYS A CA  1 
ATOM   658 C  C   . LYS A 1 100 ? 10.399  -7.309  -2.378  1.00 32.45 ? 354 LYS A C   1 
ATOM   659 O  O   . LYS A 1 100 ? 10.726  -8.386  -2.912  1.00 34.58 ? 354 LYS A O   1 
ATOM   660 C  CB  . LYS A 1 100 ? 9.651   -5.279  -3.710  1.00 33.45 ? 354 LYS A CB  1 
ATOM   661 C  CG  . LYS A 1 100 ? 9.960   -3.856  -4.155  1.00 35.52 ? 354 LYS A CG  1 
ATOM   662 C  CD  . LYS A 1 100 ? 8.740   -3.110  -4.631  1.00 37.32 ? 354 LYS A CD  1 
ATOM   663 C  CE  . LYS A 1 100 ? 9.051   -1.689  -5.043  1.00 39.91 ? 354 LYS A CE  1 
ATOM   664 N  NZ  . LYS A 1 100 ? 7.910   -1.071  -5.755  1.00 41.55 ? 354 LYS A NZ  1 
ATOM   665 N  N   . ARG A 1 101 ? 9.721   -7.195  -1.230  1.00 29.23 ? 355 ARG A N   1 
ATOM   666 C  CA  . ARG A 1 101 ? 9.265   -8.341  -0.400  1.00 27.30 ? 355 ARG A CA  1 
ATOM   667 C  C   . ARG A 1 101 ? 7.814   -8.679  -0.757  1.00 22.65 ? 355 ARG A C   1 
ATOM   668 O  O   . ARG A 1 101 ? 6.899   -7.856  -0.485  1.00 21.90 ? 355 ARG A O   1 
ATOM   669 C  CB  . ARG A 1 101 ? 9.367   -8.038  1.101   1.00 31.33 ? 355 ARG A CB  1 
ATOM   670 C  CG  . ARG A 1 101 ? 10.739  -7.582  1.585   1.00 35.06 ? 355 ARG A CG  1 
ATOM   671 C  CD  . ARG A 1 101 ? 11.819  -8.647  1.713   1.00 37.54 ? 355 ARG A CD  1 
ATOM   672 N  NE  . ARG A 1 101 ? 11.419  -9.903  2.356   1.00 39.30 ? 355 ARG A NE  1 
ATOM   673 C  CZ  . ARG A 1 101 ? 11.569  -10.213 3.647   1.00 40.57 ? 355 ARG A CZ  1 
ATOM   674 N  NH1 . ARG A 1 101 ? 12.104  -9.353  4.501   1.00 43.49 ? 355 ARG A NH1 1 
ATOM   675 N  NH2 . ARG A 1 101 ? 11.177  -11.399 4.086   1.00 39.69 ? 355 ARG A NH2 1 
ATOM   676 N  N   . TYR A 1 102 ? 7.604   -9.869  -1.311  1.00 18.10 ? 356 TYR A N   1 
ATOM   677 C  CA  . TYR A 1 102 ? 6.265   -10.442 -1.585  1.00 16.28 ? 356 TYR A CA  1 
ATOM   678 C  C   . TYR A 1 102 ? 5.488   -9.445  -2.453  1.00 15.85 ? 356 TYR A C   1 
ATOM   679 O  O   . TYR A 1 102 ? 4.316   -9.219  -2.192  1.00 16.58 ? 356 TYR A O   1 
ATOM   680 C  CB  . TYR A 1 102 ? 5.561   -10.774 -0.271  1.00 15.83 ? 356 TYR A CB  1 
ATOM   681 C  CG  . TYR A 1 102 ? 6.270   -11.796 0.582   1.00 15.01 ? 356 TYR A CG  1 
ATOM   682 C  CD1 . TYR A 1 102 ? 6.319   -13.122 0.199   1.00 15.26 ? 356 TYR A CD1 1 
ATOM   683 C  CD2 . TYR A 1 102 ? 6.888   -11.443 1.762   1.00 15.31 ? 356 TYR A CD2 1 
ATOM   684 C  CE1 . TYR A 1 102 ? 6.985   -14.074 0.952   1.00 15.45 ? 356 TYR A CE1 1 
ATOM   685 C  CE2 . TYR A 1 102 ? 7.561   -12.382 2.527   1.00 15.12 ? 356 TYR A CE2 1 
ATOM   686 C  CZ  . TYR A 1 102 ? 7.597   -13.707 2.130   1.00 15.46 ? 356 TYR A CZ  1 
ATOM   687 O  OH  . TYR A 1 102 ? 8.191   -14.645 2.931   1.00 16.24 ? 356 TYR A OH  1 
ATOM   688 N  N   . ALA A 1 103 ? 6.147   -8.891  -3.475  1.00 15.57 ? 357 ALA A N   1 
ATOM   689 C  CA  . ALA A 1 103 ? 5.560   -7.903  -4.409  1.00 15.18 ? 357 ALA A CA  1 
ATOM   690 C  C   . ALA A 1 103 ? 5.324   -8.551  -5.777  1.00 15.15 ? 357 ALA A C   1 
ATOM   691 O  O   . ALA A 1 103 ? 6.194   -9.303  -6.261  1.00 14.79 ? 357 ALA A O   1 
ATOM   692 C  CB  . ALA A 1 103 ? 6.448   -6.699  -4.536  1.00 15.68 ? 357 ALA A CB  1 
ATOM   693 N  N   . TYR A 1 104 ? 4.160   -8.283  -6.350  1.00 14.25 ? 358 TYR A N   1 
ATOM   694 C  CA  . TYR A 1 104 ? 3.698   -8.814  -7.649  1.00 15.52 ? 358 TYR A CA  1 
ATOM   695 C  C   . TYR A 1 104 ? 3.024   -7.672  -8.399  1.00 15.88 ? 358 TYR A C   1 
ATOM   696 O  O   . TYR A 1 104 ? 2.743   -6.640  -7.816  1.00 14.80 ? 358 TYR A O   1 
ATOM   697 C  CB  . TYR A 1 104 ? 2.744   -9.990  -7.435  1.00 16.84 ? 358 TYR A CB  1 
ATOM   698 C  CG  . TYR A 1 104 ? 3.378   -11.194 -6.787  1.00 18.24 ? 358 TYR A CG  1 
ATOM   699 C  CD1 . TYR A 1 104 ? 3.465   -11.320 -5.407  1.00 20.60 ? 358 TYR A CD1 1 
ATOM   700 C  CD2 . TYR A 1 104 ? 3.904   -12.206 -7.570  1.00 21.62 ? 358 TYR A CD2 1 
ATOM   701 C  CE1 . TYR A 1 104 ? 4.070   -12.430 -4.828  1.00 21.97 ? 358 TYR A CE1 1 
ATOM   702 C  CE2 . TYR A 1 104 ? 4.494   -13.326 -7.008  1.00 22.79 ? 358 TYR A CE2 1 
ATOM   703 C  CZ  . TYR A 1 104 ? 4.583   -13.432 -5.634  1.00 24.31 ? 358 TYR A CZ  1 
ATOM   704 O  OH  . TYR A 1 104 ? 5.172   -14.544 -5.092  1.00 29.73 ? 358 TYR A OH  1 
ATOM   705 N  N   . LYS A 1 105 ? 2.812   -7.868  -9.687  1.00 17.56 ? 359 LYS A N   1 
ATOM   706 C  CA  . LYS A 1 105 ? 2.236   -6.833  -10.554 1.00 18.84 ? 359 LYS A CA  1 
ATOM   707 C  C   . LYS A 1 105 ? 1.256   -7.549  -11.469 1.00 17.93 ? 359 LYS A C   1 
ATOM   708 O  O   . LYS A 1 105 ? 1.682   -8.521  -12.120 1.00 19.08 ? 359 LYS A O   1 
ATOM   709 C  CB  . LYS A 1 105 ? 3.377   -6.150  -11.302 1.00 22.25 ? 359 LYS A CB  1 
ATOM   710 C  CG  . LYS A 1 105 ? 2.987   -5.023  -12.236 1.00 26.60 ? 359 LYS A CG  1 
ATOM   711 C  CD  . LYS A 1 105 ? 4.082   -4.730  -13.249 1.00 30.53 ? 359 LYS A CD  1 
ATOM   712 C  CE  . LYS A 1 105 ? 3.578   -3.980  -14.465 1.00 35.09 ? 359 LYS A CE  1 
ATOM   713 N  NZ  . LYS A 1 105 ? 3.256   -2.577  -14.119 1.00 38.91 ? 359 LYS A NZ  1 
ATOM   714 N  N   . PHE A 1 106 ? 0.003   -7.123  -11.463 1.00 16.40 ? 360 PHE A N   1 
ATOM   715 C  CA  . PHE A 1 106 ? -0.981  -7.599  -12.457 1.00 16.73 ? 360 PHE A CA  1 
ATOM   716 C  C   . PHE A 1 106 ? -0.580  -7.090  -13.839 1.00 17.76 ? 360 PHE A C   1 
ATOM   717 O  O   . PHE A 1 106 ? -0.100  -5.938  -13.959 1.00 16.69 ? 360 PHE A O   1 
ATOM   718 C  CB  . PHE A 1 106 ? -2.382  -7.104  -12.139 1.00 16.42 ? 360 PHE A CB  1 
ATOM   719 C  CG  . PHE A 1 106 ? -2.994  -7.723  -10.913 1.00 16.48 ? 360 PHE A CG  1 
ATOM   720 C  CD1 . PHE A 1 106 ? -3.500  -9.015  -10.944 1.00 16.93 ? 360 PHE A CD1 1 
ATOM   721 C  CD2 . PHE A 1 106 ? -3.101  -6.998  -9.744  1.00 16.94 ? 360 PHE A CD2 1 
ATOM   722 C  CE1 . PHE A 1 106 ? -4.076  -9.567  -9.813  1.00 17.84 ? 360 PHE A CE1 1 
ATOM   723 C  CE2 . PHE A 1 106 ? -3.691  -7.547  -8.622  1.00 16.55 ? 360 PHE A CE2 1 
ATOM   724 C  CZ  . PHE A 1 106 ? -4.172  -8.833  -8.659  1.00 17.76 ? 360 PHE A CZ  1 
ATOM   725 N  N   . ASP A 1 107 ? -0.782  -7.953  -14.833 1.00 17.28 ? 361 ASP A N   1 
ATOM   726 C  CA  . ASP A 1 107 ? -0.727  -7.587  -16.270 1.00 17.97 ? 361 ASP A CA  1 
ATOM   727 C  C   . ASP A 1 107 ? -2.166  -7.402  -16.754 1.00 17.53 ? 361 ASP A C   1 
ATOM   728 O  O   . ASP A 1 107 ? -2.864  -8.402  -17.002 1.00 18.30 ? 361 ASP A O   1 
ATOM   729 C  CB  . ASP A 1 107 ? 0.037   -8.647  -17.053 1.00 17.71 ? 361 ASP A CB  1 
ATOM   730 C  CG  . ASP A 1 107 ? 0.334   -8.199  -18.467 1.00 18.85 ? 361 ASP A CG  1 
ATOM   731 O  OD1 . ASP A 1 107 ? 1.379   -8.628  -19.012 1.00 19.44 ? 361 ASP A OD1 1 
ATOM   732 O  OD2 . ASP A 1 107 ? -0.479  -7.409  -18.989 1.00 19.66 ? 361 ASP A OD2 1 
ATOM   733 N  N   . PHE A 1 108 ? -2.610  -6.163  -16.905 1.00 19.76 ? 362 PHE A N   1 
ATOM   734 C  CA  . PHE A 1 108 ? -4.020  -5.903  -17.260 1.00 20.75 ? 362 PHE A CA  1 
ATOM   735 C  C   . PHE A 1 108 ? -4.241  -6.166  -18.757 1.00 18.08 ? 362 PHE A C   1 
ATOM   736 O  O   . PHE A 1 108 ? -5.398  -6.334  -19.157 1.00 17.78 ? 362 PHE A O   1 
ATOM   737 C  CB  . PHE A 1 108 ? -4.412  -4.540  -16.700 1.00 24.87 ? 362 PHE A CB  1 
ATOM   738 C  CG  . PHE A 1 108 ? -4.493  -4.513  -15.191 1.00 28.43 ? 362 PHE A CG  1 
ATOM   739 C  CD1 . PHE A 1 108 ? -5.514  -5.174  -14.526 1.00 30.29 ? 362 PHE A CD1 1 
ATOM   740 C  CD2 . PHE A 1 108 ? -3.571  -3.803  -14.438 1.00 31.11 ? 362 PHE A CD2 1 
ATOM   741 C  CE1 . PHE A 1 108 ? -5.610  -5.130  -13.141 1.00 30.95 ? 362 PHE A CE1 1 
ATOM   742 C  CE2 . PHE A 1 108 ? -3.678  -3.746  -13.057 1.00 29.86 ? 362 PHE A CE2 1 
ATOM   743 C  CZ  . PHE A 1 108 ? -4.682  -4.427  -12.409 1.00 31.75 ? 362 PHE A CZ  1 
ATOM   744 N  N   . HIS A 1 109 ? -3.183  -6.322  -19.555 1.00 16.43 ? 363 HIS A N   1 
ATOM   745 C  CA  . HIS A 1 109 ? -3.314  -6.808  -20.959 1.00 15.26 ? 363 HIS A CA  1 
ATOM   746 C  C   . HIS A 1 109 ? -3.864  -8.244  -20.962 1.00 15.14 ? 363 HIS A C   1 
ATOM   747 O  O   . HIS A 1 109 ? -4.817  -8.518  -21.723 1.00 15.69 ? 363 HIS A O   1 
ATOM   748 C  CB  . HIS A 1 109 ? -1.997  -6.681  -21.738 1.00 15.77 ? 363 HIS A CB  1 
ATOM   749 C  CG  . HIS A 1 109 ? -1.349  -5.352  -21.567 1.00 16.59 ? 363 HIS A CG  1 
ATOM   750 N  ND1 . HIS A 1 109 ? -0.024  -5.211  -21.205 1.00 18.45 ? 363 HIS A ND1 1 
ATOM   751 C  CD2 . HIS A 1 109 ? -1.842  -4.099  -21.675 1.00 18.29 ? 363 HIS A CD2 1 
ATOM   752 C  CE1 . HIS A 1 109 ? 0.269   -3.921  -21.112 1.00 19.22 ? 363 HIS A CE1 1 
ATOM   753 N  NE2 . HIS A 1 109 ? -0.826  -3.217  -21.404 1.00 18.79 ? 363 HIS A NE2 1 
ATOM   754 N  N   . GLY A 1 110 ? -3.306  -9.144  -20.139 1.00 15.60 ? 364 GLY A N   1 
ATOM   755 C  CA  . GLY A 1 110 ? -3.869  -10.502 -19.992 1.00 16.09 ? 364 GLY A CA  1 
ATOM   756 C  C   . GLY A 1 110 ? -5.225  -10.500 -19.309 1.00 17.05 ? 364 GLY A C   1 
ATOM   757 O  O   . GLY A 1 110 ? -6.125  -11.243 -19.766 1.00 19.19 ? 364 GLY A O   1 
ATOM   758 N  N   . ILE A 1 111 ? -5.397  -9.702  -18.262 1.00 18.99 ? 365 ILE A N   1 
ATOM   759 C  CA  . ILE A 1 111 ? -6.670  -9.689  -17.481 1.00 20.83 ? 365 ILE A CA  1 
ATOM   760 C  C   . ILE A 1 111 ? -7.807  -9.132  -18.350 1.00 20.61 ? 365 ILE A C   1 
ATOM   761 O  O   . ILE A 1 111 ? -8.913  -9.693  -18.277 1.00 20.89 ? 365 ILE A O   1 
ATOM   762 C  CB  . ILE A 1 111 ? -6.493  -8.972  -16.133 1.00 22.61 ? 365 ILE A CB  1 
ATOM   763 C  CG1 . ILE A 1 111 ? -5.621  -9.827  -15.206 1.00 24.43 ? 365 ILE A CG1 1 
ATOM   764 C  CG2 . ILE A 1 111 ? -7.846  -8.667  -15.501 1.00 23.74 ? 365 ILE A CG2 1 
ATOM   765 C  CD1 . ILE A 1 111 ? -5.126  -9.108  -13.993 1.00 24.15 ? 365 ILE A CD1 1 
ATOM   766 N  N   . ALA A 1 112 ? -7.549  -8.147  -19.219 1.00 19.57 ? 366 ALA A N   1 
ATOM   767 C  CA  . ALA A 1 112 ? -8.570  -7.642  -20.170 1.00 20.18 ? 366 ALA A CA  1 
ATOM   768 C  C   . ALA A 1 112 ? -9.153  -8.801  -20.986 1.00 20.68 ? 366 ALA A C   1 
ATOM   769 O  O   . ALA A 1 112 ? -10.361 -8.784  -21.282 1.00 21.99 ? 366 ALA A O   1 
ATOM   770 C  CB  . ALA A 1 112 ? -7.985  -6.591  -21.086 1.00 20.89 ? 366 ALA A CB  1 
ATOM   771 N  N   . GLN A 1 113 ? -8.336  -9.761  -21.414 1.00 20.59 ? 367 GLN A N   1 
ATOM   772 C  CA  . GLN A 1 113 ? -8.844  -10.933 -22.173 1.00 24.25 ? 367 GLN A CA  1 
ATOM   773 C  C   . GLN A 1 113 ? -9.657  -11.844 -21.258 1.00 26.48 ? 367 GLN A C   1 
ATOM   774 O  O   . GLN A 1 113 ? -10.704 -12.330 -21.713 1.00 26.85 ? 367 GLN A O   1 
ATOM   775 C  CB  . GLN A 1 113 ? -7.703  -11.724 -22.791 1.00 25.45 ? 367 GLN A CB  1 
ATOM   776 C  CG  . GLN A 1 113 ? -6.931  -10.904 -23.806 1.00 25.66 ? 367 GLN A CG  1 
ATOM   777 C  CD  . GLN A 1 113 ? -6.051  -11.812 -24.617 1.00 26.90 ? 367 GLN A CD  1 
ATOM   778 O  OE1 . GLN A 1 113 ? -5.720  -12.917 -24.184 1.00 29.04 ? 367 GLN A OE1 1 
ATOM   779 N  NE2 . GLN A 1 113 ? -5.662  -11.344 -25.790 1.00 26.52 ? 367 GLN A NE2 1 
ATOM   780 N  N   . ALA A 1 114 ? -9.157  -12.065 -20.035 1.00 30.60 ? 368 ALA A N   1 
ATOM   781 C  CA  . ALA A 1 114 ? -9.751  -12.961 -19.013 1.00 33.14 ? 368 ALA A CA  1 
ATOM   782 C  C   . ALA A 1 114 ? -11.161 -12.474 -18.666 1.00 35.12 ? 368 ALA A C   1 
ATOM   783 O  O   . ALA A 1 114 ? -11.985 -13.302 -18.251 1.00 37.72 ? 368 ALA A O   1 
ATOM   784 C  CB  . ALA A 1 114 ? -8.863  -13.032 -17.790 1.00 31.93 ? 368 ALA A CB  1 
ATOM   785 N  N   . LEU A 1 115 ? -11.427 -11.178 -18.846 1.00 38.36 ? 369 LEU A N   1 
ATOM   786 C  CA  . LEU A 1 115 ? -12.773 -10.576 -18.645 1.00 40.91 ? 369 LEU A CA  1 
ATOM   787 C  C   . LEU A 1 115 ? -13.739 -11.079 -19.725 1.00 42.09 ? 369 LEU A C   1 
ATOM   788 O  O   . LEU A 1 115 ? -14.951 -11.075 -19.461 1.00 45.48 ? 369 LEU A O   1 
ATOM   789 C  CB  . LEU A 1 115 ? -12.671 -9.046  -18.666 1.00 42.80 ? 369 LEU A CB  1 
ATOM   790 C  CG  . LEU A 1 115 ? -12.528 -8.363  -17.307 1.00 45.53 ? 369 LEU A CG  1 
ATOM   791 C  CD1 . LEU A 1 115 ? -11.301 -8.848  -16.548 1.00 45.70 ? 369 LEU A CD1 1 
ATOM   792 C  CD2 . LEU A 1 115 ? -12.478 -6.852  -17.481 1.00 46.31 ? 369 LEU A CD2 1 
ATOM   793 N  N   . GLN A 1 116 ? -13.233 -11.476 -20.895 1.00 42.19 ? 370 GLN A N   1 
ATOM   794 C  CA  . GLN A 1 116 ? -14.061 -11.885 -22.064 1.00 44.78 ? 370 GLN A CA  1 
ATOM   795 C  C   . GLN A 1 116 ? -14.452 -13.360 -21.927 1.00 45.04 ? 370 GLN A C   1 
ATOM   796 O  O   . GLN A 1 116 ? -13.573 -14.197 -21.703 1.00 46.38 ? 370 GLN A O   1 
ATOM   797 C  CB  . GLN A 1 116 ? -13.294 -11.643 -23.366 1.00 47.35 ? 370 GLN A CB  1 
ATOM   798 C  CG  . GLN A 1 116 ? -12.852 -10.200 -23.545 1.00 47.23 ? 370 GLN A CG  1 
ATOM   799 C  CD  . GLN A 1 116 ? -14.044 -9.305  -23.767 1.00 49.65 ? 370 GLN A CD  1 
ATOM   800 O  OE1 . GLN A 1 116 ? -14.621 -9.268  -24.853 1.00 57.53 ? 370 GLN A OE1 1 
ATOM   801 N  NE2 . GLN A 1 116 ? -14.438 -8.600  -22.723 1.00 47.49 ? 370 GLN A NE2 1 
HETATM 802 NA NA  . NA  B 2 .   ? -14.448 -11.627 -6.393  1.00 54.52 ? 401 NA  A NA  1 
HETATM 803 O  O   . HOH C 3 .   ? 4.000   0.957   -6.786  0.50 24.29 ? 501 HOH A O   1 
HETATM 804 O  O   . HOH C 3 .   ? -19.362 -22.399 -9.539  1.00 56.38 ? 502 HOH A O   1 
HETATM 805 O  O   . HOH C 3 .   ? 7.132   -22.119 -3.880  1.00 41.00 ? 503 HOH A O   1 
HETATM 806 O  O   . HOH C 3 .   ? 8.053   -15.704 -3.403  1.00 31.91 ? 504 HOH A O   1 
HETATM 807 O  O   . HOH C 3 .   ? -6.300  -5.346  7.710   1.00 20.02 ? 505 HOH A O   1 
HETATM 808 O  O   . HOH C 3 .   ? 3.102   -14.240 6.587   1.00 32.60 ? 506 HOH A O   1 
HETATM 809 O  O   . HOH C 3 .   ? -11.713 -16.134 -11.746 1.00 19.78 ? 507 HOH A O   1 
HETATM 810 O  O   . HOH C 3 .   ? -14.727 -3.981  4.667   1.00 37.09 ? 508 HOH A O   1 
HETATM 811 O  O   . HOH C 3 .   ? 0.218   -24.434 -6.064  1.00 28.49 ? 509 HOH A O   1 
HETATM 812 O  O   . HOH C 3 .   ? -6.050  -19.172 -12.736 1.00 34.04 ? 510 HOH A O   1 
HETATM 813 O  O   . HOH C 3 .   ? 0.301   -7.608  8.884   1.00 40.38 ? 511 HOH A O   1 
HETATM 814 O  O   . HOH C 3 .   ? 0.146   -3.436  -14.760 1.00 37.85 ? 512 HOH A O   1 
HETATM 815 O  O   . HOH C 3 .   ? -1.760  -25.069 5.702   1.00 57.04 ? 513 HOH A O   1 
HETATM 816 O  O   . HOH C 3 .   ? -14.284 -15.059 -18.473 1.00 50.60 ? 514 HOH A O   1 
HETATM 817 O  O   . HOH C 3 .   ? -5.673  -7.110  -23.835 1.00 12.70 ? 515 HOH A O   1 
HETATM 818 O  O   . HOH C 3 .   ? 1.656   -20.354 4.568   1.00 21.11 ? 516 HOH A O   1 
HETATM 819 O  O   . HOH C 3 .   ? -1.001  -20.056 5.373   1.00 25.41 ? 517 HOH A O   1 
HETATM 820 O  O   . HOH C 3 .   ? 5.523   -7.802  2.152   1.00 31.11 ? 518 HOH A O   1 
HETATM 821 O  O   . HOH C 3 .   ? -3.716  -15.558 -20.219 1.00 37.74 ? 519 HOH A O   1 
HETATM 822 O  O   . HOH C 3 .   ? -5.482  -13.724 -20.598 1.00 33.06 ? 520 HOH A O   1 
HETATM 823 O  O   . HOH C 3 .   ? -4.314  -1.263  -0.861  1.00 33.94 ? 521 HOH A O   1 
HETATM 824 O  O   . HOH C 3 .   ? -6.400  -4.508  0.848   1.00 22.50 ? 522 HOH A O   1 
HETATM 825 O  O   . HOH C 3 .   ? -0.603  -0.591  -22.031 1.00 15.43 ? 523 HOH A O   1 
HETATM 826 O  O   . HOH C 3 .   ? -6.413  -8.291  6.644   1.00 40.88 ? 524 HOH A O   1 
HETATM 827 O  O   . HOH C 3 .   ? -1.441  -14.521 -23.340 1.00 43.95 ? 525 HOH A O   1 
HETATM 828 O  O   . HOH C 3 .   ? -2.853  -21.785 5.262   1.00 38.81 ? 526 HOH A O   1 
HETATM 829 O  O   . HOH C 3 .   ? 11.824  -10.827 -3.491  1.00 41.77 ? 527 HOH A O   1 
HETATM 830 O  O   . HOH C 3 .   ? -11.263 -16.632 2.307   1.00 23.26 ? 528 HOH A O   1 
HETATM 831 O  O   . HOH C 3 .   ? -10.646 -23.880 -9.213  1.00 53.35 ? 529 HOH A O   1 
HETATM 832 O  O   . HOH C 3 .   ? 3.248   -7.961  -15.163 1.00 36.73 ? 530 HOH A O   1 
HETATM 833 O  O   . HOH C 3 .   ? -20.518 -15.744 -6.499  1.00 39.36 ? 531 HOH A O   1 
HETATM 834 O  O   . HOH C 3 .   ? -14.642 -10.517 -8.413  1.00 32.47 ? 532 HOH A O   1 
HETATM 835 O  O   . HOH C 3 .   ? 8.458   -10.140 -4.632  1.00 27.40 ? 533 HOH A O   1 
HETATM 836 O  O   . HOH C 3 .   ? -21.282 -11.941 -5.177  1.00 34.50 ? 534 HOH A O   1 
HETATM 837 O  O   . HOH C 3 .   ? -13.872 -17.256 1.269   1.00 28.52 ? 535 HOH A O   1 
HETATM 838 O  O   . HOH C 3 .   ? -6.452  -2.366  -0.510  1.00 33.24 ? 536 HOH A O   1 
HETATM 839 O  O   . HOH C 3 .   ? -6.980  -22.209 4.977   1.00 29.42 ? 537 HOH A O   1 
HETATM 840 O  O   . HOH C 3 .   ? -12.434 -8.266  -0.116  1.00 31.91 ? 538 HOH A O   1 
HETATM 841 O  O   . HOH C 3 .   ? 7.117   -14.192 5.536   1.00 37.19 ? 539 HOH A O   1 
HETATM 842 O  O   . HOH C 3 .   ? 0.065   -14.980 9.240   1.00 31.46 ? 540 HOH A O   1 
HETATM 843 O  O   . HOH C 3 .   ? -11.656 0.000   0.000   0.50 15.56 ? 541 HOH A O   1 
HETATM 844 O  O   . HOH C 3 .   ? -4.918  -0.812  1.460   1.00 37.23 ? 542 HOH A O   1 
HETATM 845 O  O   . HOH C 3 .   ? -14.619 -3.980  -1.923  1.00 39.42 ? 543 HOH A O   1 
HETATM 846 O  O   . HOH C 3 .   ? -2.558  -10.302 8.558   1.00 37.99 ? 544 HOH A O   1 
HETATM 847 O  O   . HOH C 3 .   ? -3.992  -22.642 -6.182  1.00 30.59 ? 545 HOH A O   1 
HETATM 848 O  O   . HOH C 3 .   ? 3.863   -27.266 0.216   1.00 35.93 ? 546 HOH A O   1 
HETATM 849 O  O   . HOH C 3 .   ? -2.121  -16.442 8.797   1.00 29.07 ? 547 HOH A O   1 
HETATM 850 O  O   . HOH C 3 .   ? 7.482   -17.020 -6.070  1.00 53.49 ? 548 HOH A O   1 
HETATM 851 O  O   . HOH C 3 .   ? 1.633   -0.000  0.000   0.50 20.08 ? 549 HOH A O   1 
HETATM 852 O  O   . HOH C 3 .   ? -18.744 -18.277 -10.972 1.00 33.68 ? 550 HOH A O   1 
HETATM 853 O  O   . HOH C 3 .   ? -3.179  -27.397 -1.174  1.00 40.12 ? 551 HOH A O   1 
HETATM 854 O  O   . HOH C 3 .   ? -0.630  -3.881  -16.935 1.00 25.50 ? 552 HOH A O   1 
HETATM 855 O  O   . HOH C 3 .   ? -6.453  -20.321 -9.774  1.00 22.59 ? 553 HOH A O   1 
HETATM 856 O  O   . HOH C 3 .   ? -12.149 -9.422  -8.473  1.00 31.88 ? 554 HOH A O   1 
HETATM 857 O  O   . HOH C 3 .   ? 2.566   -18.900 9.347   1.00 39.90 ? 555 HOH A O   1 
HETATM 858 O  O   . HOH C 3 .   ? 1.639   -4.988  -18.130 1.00 33.38 ? 556 HOH A O   1 
HETATM 859 O  O   . HOH C 3 .   ? -8.356  -22.173 -9.134  1.00 36.01 ? 557 HOH A O   1 
HETATM 860 O  O   . HOH C 3 .   ? 13.211  -6.043  -0.285  1.00 57.95 ? 558 HOH A O   1 
HETATM 861 O  O   . HOH C 3 .   ? -9.587  -25.362 4.162   1.00 46.78 ? 559 HOH A O   1 
HETATM 862 O  O   . HOH C 3 .   ? -6.550  -12.791 -29.171 0.50 35.26 ? 560 HOH A O   1 
HETATM 863 O  O   . HOH C 3 .   ? -2.368  -24.615 -5.596  1.00 39.76 ? 561 HOH A O   1 
HETATM 864 O  O   . HOH C 3 .   ? -4.131  -21.544 -8.627  1.00 35.60 ? 562 HOH A O   1 
# 
