data_9DPS
# 
_entry.id   9DPS 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.402 
_audit_conform.dict_location   http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic 
# 
loop_
_database_2.database_id 
_database_2.database_code 
_database_2.pdbx_database_accession 
_database_2.pdbx_DOI 
PDB   9DPS         pdb_00009dps 10.2210/pdb9dps/pdb 
WWPDB D_1000287372 ?            ?                   
# 
_pdbx_audit_revision_history.ordinal             1 
_pdbx_audit_revision_history.data_content_type   'Structure model' 
_pdbx_audit_revision_history.major_revision      1 
_pdbx_audit_revision_history.minor_revision      0 
_pdbx_audit_revision_history.revision_date       2025-03-05 
_pdbx_audit_revision_history.part_number         ? 
# 
_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_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.entry_id                        9DPS 
_pdbx_database_status.recvd_initial_deposition_date   2024-09-23 
_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              ahinck@pitt.edu 
_pdbx_contact_author.name_first         Andrew 
_pdbx_contact_author.name_last          Hinck 
_pdbx_contact_author.name_mi            P 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0003-3320-8054 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Schwartze, T.A.' 1 0000-0003-0306-3288 
'Hinck, A.P.'     2 0000-0003-3320-8054 
# 
_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            J.Mol.Biol. 
_citation.journal_id_ASTM           JMOBAK 
_citation.journal_id_CSD            0070 
_citation.journal_id_ISSN           1089-8638 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            437 
_citation.language                  ? 
_citation.page_first                168935 
_citation.page_last                 168935 
_citation.title                     'Molecular Basis of Interchain Disulfide Bond Formation in BMP-9 and BMP-10.' 
_citation.year                      2025 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      10.1016/j.jmb.2025.168935 
_citation.pdbx_database_id_PubMed   39793884 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Schwartze, T.A.' 1  ? 
primary 'Morosky, S.A.'   2  ? 
primary 'Rosato, T.L.'    3  ? 
primary 'Henrickson, A.'  4  ? 
primary 'Lin, G.'         5  ? 
primary 'Hinck, C.S.'     6  ? 
primary 'Taylor, A.B.'    7  ? 
primary 'Olsen, S.K.'     8  ? 
primary 'Calero, G.'      9  ? 
primary 'Demeler, B.'     10 ? 
primary 'Roman, B.L.'     11 ? 
primary 'Hinck, A.P.'     12 ? 
# 
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 'Growth/differentiation factor 2' 12148.996 1  ? 'A321S, G389S' ? ? 
2 non-polymer syn 'CHLORIDE ION'                    35.453    6  ? ?              ? ? 
3 non-polymer syn 'SODIUM ION'                      22.990    4  ? ?              ? ? 
4 non-polymer syn GLYCEROL                          92.094    2  ? ?              ? ? 
5 water       nat water                             18.015    97 ? ?              ? ? 
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        'GDF-2,Bone morphogenetic protein 9,BMP-9' 
# 
_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       
;SSGAGSHCQKTSLRVNFEDIGWDSWIIAPKEYEAYECKGGCFFPLADDVTPTKHAIVQTLVHLKFPTKVSKACCVPTKLS
PISVLYKDDMGVPTLKYHYEGMSVAECGCR
;
_entity_poly.pdbx_seq_one_letter_code_can   
;SSGAGSHCQKTSLRVNFEDIGWDSWIIAPKEYEAYECKGGCFFPLADDVTPTKHAIVQTLVHLKFPTKVSKACCVPTKLS
PISVLYKDDMGVPTLKYHYEGMSVAECGCR
;
_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 'CHLORIDE ION' CL  
3 'SODIUM ION'   NA  
4 GLYCEROL       GOL 
5 water          HOH 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   SER n 
1 2   SER n 
1 3   GLY n 
1 4   ALA n 
1 5   GLY n 
1 6   SER n 
1 7   HIS n 
1 8   CYS n 
1 9   GLN n 
1 10  LYS n 
1 11  THR n 
1 12  SER n 
1 13  LEU n 
1 14  ARG n 
1 15  VAL n 
1 16  ASN n 
1 17  PHE n 
1 18  GLU n 
1 19  ASP n 
1 20  ILE n 
1 21  GLY n 
1 22  TRP n 
1 23  ASP n 
1 24  SER n 
1 25  TRP n 
1 26  ILE n 
1 27  ILE n 
1 28  ALA n 
1 29  PRO n 
1 30  LYS n 
1 31  GLU n 
1 32  TYR n 
1 33  GLU n 
1 34  ALA n 
1 35  TYR n 
1 36  GLU n 
1 37  CYS n 
1 38  LYS n 
1 39  GLY n 
1 40  GLY n 
1 41  CYS n 
1 42  PHE n 
1 43  PHE n 
1 44  PRO n 
1 45  LEU n 
1 46  ALA n 
1 47  ASP n 
1 48  ASP n 
1 49  VAL n 
1 50  THR n 
1 51  PRO n 
1 52  THR n 
1 53  LYS n 
1 54  HIS n 
1 55  ALA n 
1 56  ILE n 
1 57  VAL n 
1 58  GLN n 
1 59  THR n 
1 60  LEU n 
1 61  VAL n 
1 62  HIS n 
1 63  LEU n 
1 64  LYS n 
1 65  PHE n 
1 66  PRO n 
1 67  THR n 
1 68  LYS n 
1 69  VAL n 
1 70  SER n 
1 71  LYS n 
1 72  ALA n 
1 73  CYS n 
1 74  CYS n 
1 75  VAL n 
1 76  PRO n 
1 77  THR n 
1 78  LYS n 
1 79  LEU n 
1 80  SER n 
1 81  PRO n 
1 82  ILE n 
1 83  SER n 
1 84  VAL n 
1 85  LEU n 
1 86  TYR n 
1 87  LYS n 
1 88  ASP n 
1 89  ASP n 
1 90  MET n 
1 91  GLY n 
1 92  VAL n 
1 93  PRO n 
1 94  THR n 
1 95  LEU n 
1 96  LYS n 
1 97  TYR n 
1 98  HIS n 
1 99  TYR n 
1 100 GLU n 
1 101 GLY n 
1 102 MET n 
1 103 SER n 
1 104 VAL n 
1 105 ALA n 
1 106 GLU n 
1 107 CYS n 
1 108 GLY n 
1 109 CYS n 
1 110 ARG 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                   110 
_entity_src_gen.gene_src_common_name               human 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 'GDF2, BMP9' 
_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      'Homo sapiens' 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     9606 
_entity_src_gen.host_org_genus                     ? 
_entity_src_gen.pdbx_host_org_gene                 ? 
_entity_src_gen.pdbx_host_org_organ                kidney 
_entity_src_gen.host_org_species                   ? 
_entity_src_gen.pdbx_host_org_tissue               embryonic 
_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            'expi293 (Invitrogen)' 
_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          plasmid 
_entity_src_gen.pdbx_host_org_vector               ? 
_entity_src_gen.host_org_details                   ? 
_entity_src_gen.expression_system_id               ? 
_entity_src_gen.plasmid_name                       pcdna3.1 
_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 
CL  non-polymer         . 'CHLORIDE ION'  ?                               'Cl -1'          35.453  
CYS 'L-peptide linking' y CYSTEINE        ?                               'C3 H7 N O2 S'   121.158 
GLN 'L-peptide linking' y GLUTAMINE       ?                               'C5 H10 N2 O3'   146.144 
GLU 'L-peptide linking' y 'GLUTAMIC ACID' ?                               'C5 H9 N O4'     147.129 
GLY 'peptide linking'   y GLYCINE         ?                               'C2 H5 N O2'     75.067  
GOL non-polymer         . GLYCEROL        'GLYCERIN; PROPANE-1,2,3-TRIOL' 'C3 H8 O3'       92.094  
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   SER 1   320 ?   ?   ?   A . n 
A 1 2   SER 2   321 ?   ?   ?   A . n 
A 1 3   GLY 3   322 ?   ?   ?   A . n 
A 1 4   ALA 4   323 ?   ?   ?   A . n 
A 1 5   GLY 5   324 ?   ?   ?   A . n 
A 1 6   SER 6   325 325 SER SER A . n 
A 1 7   HIS 7   326 326 HIS HIS A . n 
A 1 8   CYS 8   327 327 CYS CYS A . n 
A 1 9   GLN 9   328 328 GLN GLN A . n 
A 1 10  LYS 10  329 329 LYS LYS A . n 
A 1 11  THR 11  330 330 THR THR A . n 
A 1 12  SER 12  331 331 SER SER A . n 
A 1 13  LEU 13  332 332 LEU LEU A . n 
A 1 14  ARG 14  333 333 ARG ARG A . n 
A 1 15  VAL 15  334 334 VAL VAL A . n 
A 1 16  ASN 16  335 335 ASN ASN A . n 
A 1 17  PHE 17  336 336 PHE PHE A . n 
A 1 18  GLU 18  337 337 GLU GLU A . n 
A 1 19  ASP 19  338 338 ASP ASP A . n 
A 1 20  ILE 20  339 339 ILE ILE A . n 
A 1 21  GLY 21  340 340 GLY GLY A . n 
A 1 22  TRP 22  341 341 TRP TRP A . n 
A 1 23  ASP 23  342 342 ASP ASP A . n 
A 1 24  SER 24  343 343 SER SER A . n 
A 1 25  TRP 25  344 344 TRP TRP A . n 
A 1 26  ILE 26  345 345 ILE ILE A . n 
A 1 27  ILE 27  346 346 ILE ILE A . n 
A 1 28  ALA 28  347 347 ALA ALA A . n 
A 1 29  PRO 29  348 348 PRO PRO A . n 
A 1 30  LYS 30  349 349 LYS LYS A . n 
A 1 31  GLU 31  350 350 GLU GLU A . n 
A 1 32  TYR 32  351 351 TYR TYR A . n 
A 1 33  GLU 33  352 352 GLU GLU A . n 
A 1 34  ALA 34  353 353 ALA ALA A . n 
A 1 35  TYR 35  354 354 TYR TYR A . n 
A 1 36  GLU 36  355 355 GLU GLU A . n 
A 1 37  CYS 37  356 356 CYS CYS A . n 
A 1 38  LYS 38  357 357 LYS LYS A . n 
A 1 39  GLY 39  358 358 GLY GLY A . n 
A 1 40  GLY 40  359 359 GLY GLY A . n 
A 1 41  CYS 41  360 360 CYS CYS A . n 
A 1 42  PHE 42  361 361 PHE PHE A . n 
A 1 43  PHE 43  362 362 PHE PHE A . n 
A 1 44  PRO 44  363 363 PRO PRO A . n 
A 1 45  LEU 45  364 364 LEU LEU A . n 
A 1 46  ALA 46  365 365 ALA ALA A . n 
A 1 47  ASP 47  366 366 ASP ASP A . n 
A 1 48  ASP 48  367 367 ASP ASP A . n 
A 1 49  VAL 49  368 368 VAL VAL A . n 
A 1 50  THR 50  369 369 THR THR A . n 
A 1 51  PRO 51  370 370 PRO PRO A . n 
A 1 52  THR 52  371 371 THR THR A . n 
A 1 53  LYS 53  372 372 LYS LYS A . n 
A 1 54  HIS 54  373 373 HIS HIS A . n 
A 1 55  ALA 55  374 374 ALA ALA A . n 
A 1 56  ILE 56  375 375 ILE ILE A . n 
A 1 57  VAL 57  376 376 VAL VAL A . n 
A 1 58  GLN 58  377 377 GLN GLN A . n 
A 1 59  THR 59  378 378 THR THR A . n 
A 1 60  LEU 60  379 379 LEU LEU A . n 
A 1 61  VAL 61  380 380 VAL VAL A . n 
A 1 62  HIS 62  381 381 HIS HIS A . n 
A 1 63  LEU 63  382 382 LEU LEU A . n 
A 1 64  LYS 64  383 383 LYS LYS A . n 
A 1 65  PHE 65  384 384 PHE PHE A . n 
A 1 66  PRO 66  385 385 PRO PRO A . n 
A 1 67  THR 67  386 386 THR THR A . n 
A 1 68  LYS 68  387 387 LYS LYS A . n 
A 1 69  VAL 69  388 388 VAL VAL A . n 
A 1 70  SER 70  389 389 SER SER A . n 
A 1 71  LYS 71  390 390 LYS LYS A . n 
A 1 72  ALA 72  391 391 ALA ALA A . n 
A 1 73  CYS 73  392 392 CYS CYS A . n 
A 1 74  CYS 74  393 393 CYS CYS A . n 
A 1 75  VAL 75  394 394 VAL VAL A . n 
A 1 76  PRO 76  395 395 PRO PRO A . n 
A 1 77  THR 77  396 396 THR THR A . n 
A 1 78  LYS 78  397 397 LYS LYS A . n 
A 1 79  LEU 79  398 398 LEU LEU A . n 
A 1 80  SER 80  399 399 SER SER A . n 
A 1 81  PRO 81  400 400 PRO PRO A . n 
A 1 82  ILE 82  401 401 ILE ILE A . n 
A 1 83  SER 83  402 402 SER SER A . n 
A 1 84  VAL 84  403 403 VAL VAL A . n 
A 1 85  LEU 85  404 404 LEU LEU A . n 
A 1 86  TYR 86  405 405 TYR TYR A . n 
A 1 87  LYS 87  406 406 LYS LYS A . n 
A 1 88  ASP 88  407 407 ASP ASP A . n 
A 1 89  ASP 89  408 408 ASP ASP A . n 
A 1 90  MET 90  409 409 MET MET A . n 
A 1 91  GLY 91  410 410 GLY GLY A . n 
A 1 92  VAL 92  411 411 VAL VAL A . n 
A 1 93  PRO 93  412 412 PRO PRO A . n 
A 1 94  THR 94  413 413 THR THR A . n 
A 1 95  LEU 95  414 414 LEU LEU A . n 
A 1 96  LYS 96  415 415 LYS LYS A . n 
A 1 97  TYR 97  416 416 TYR TYR A . n 
A 1 98  HIS 98  417 417 HIS HIS A . n 
A 1 99  TYR 99  418 418 TYR TYR A . n 
A 1 100 GLU 100 419 419 GLU GLU A . n 
A 1 101 GLY 101 420 420 GLY GLY A . n 
A 1 102 MET 102 421 421 MET MET A . n 
A 1 103 SER 103 422 422 SER SER A . n 
A 1 104 VAL 104 423 423 VAL VAL A . n 
A 1 105 ALA 105 424 424 ALA ALA A . n 
A 1 106 GLU 106 425 425 GLU GLU A . n 
A 1 107 CYS 107 426 426 CYS CYS A . n 
A 1 108 GLY 108 427 427 GLY GLY A . n 
A 1 109 CYS 109 428 428 CYS CYS A . n 
A 1 110 ARG 110 429 429 ARG ARG 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 CL  1  501 1   CL  CL  A . 
C 2 CL  1  502 2   CL  CL  A . 
D 2 CL  1  503 3   CL  CL  A . 
E 2 CL  1  504 4   CL  CL  A . 
F 2 CL  1  505 5   CL  CL  A . 
G 2 CL  1  506 6   CL  CL  A . 
H 3 NA  1  507 1   NA  NA  A . 
I 3 NA  1  508 2   NA  NA  A . 
J 3 NA  1  509 3   NA  NA  A . 
K 3 NA  1  510 4   NA  NA  A . 
L 4 GOL 1  511 1   GOL GOL A . 
M 4 GOL 1  512 2   GOL GOL A . 
N 5 HOH 1  601 107 HOH HOH A . 
N 5 HOH 2  602 60  HOH HOH A . 
N 5 HOH 3  603 10  HOH HOH A . 
N 5 HOH 4  604 106 HOH HOH A . 
N 5 HOH 5  605 18  HOH HOH A . 
N 5 HOH 6  606 6   HOH HOH A . 
N 5 HOH 7  607 52  HOH HOH A . 
N 5 HOH 8  608 2   HOH HOH A . 
N 5 HOH 9  609 145 HOH HOH A . 
N 5 HOH 10 610 123 HOH HOH A . 
N 5 HOH 11 611 65  HOH HOH A . 
N 5 HOH 12 612 46  HOH HOH A . 
N 5 HOH 13 613 118 HOH HOH A . 
N 5 HOH 14 614 144 HOH HOH A . 
N 5 HOH 15 615 1   HOH HOH A . 
N 5 HOH 16 616 34  HOH HOH A . 
N 5 HOH 17 617 16  HOH HOH A . 
N 5 HOH 18 618 28  HOH HOH A . 
N 5 HOH 19 619 13  HOH HOH A . 
N 5 HOH 20 620 82  HOH HOH A . 
N 5 HOH 21 621 122 HOH HOH A . 
N 5 HOH 22 622 147 HOH HOH A . 
N 5 HOH 23 623 72  HOH HOH A . 
N 5 HOH 24 624 132 HOH HOH A . 
N 5 HOH 25 625 5   HOH HOH A . 
N 5 HOH 26 626 32  HOH HOH A . 
N 5 HOH 27 627 137 HOH HOH A . 
N 5 HOH 28 628 33  HOH HOH A . 
N 5 HOH 29 629 15  HOH HOH A . 
N 5 HOH 30 630 25  HOH HOH A . 
N 5 HOH 31 631 141 HOH HOH A . 
N 5 HOH 32 632 85  HOH HOH A . 
N 5 HOH 33 633 97  HOH HOH A . 
N 5 HOH 34 634 127 HOH HOH A . 
N 5 HOH 35 635 27  HOH HOH A . 
N 5 HOH 36 636 54  HOH HOH A . 
N 5 HOH 37 637 44  HOH HOH A . 
N 5 HOH 38 638 30  HOH HOH A . 
N 5 HOH 39 639 11  HOH HOH A . 
N 5 HOH 40 640 8   HOH HOH A . 
N 5 HOH 41 641 93  HOH HOH A . 
N 5 HOH 42 642 117 HOH HOH A . 
N 5 HOH 43 643 112 HOH HOH A . 
N 5 HOH 44 644 9   HOH HOH A . 
N 5 HOH 45 645 120 HOH HOH A . 
N 5 HOH 46 646 40  HOH HOH A . 
N 5 HOH 47 647 19  HOH HOH A . 
N 5 HOH 48 648 14  HOH HOH A . 
N 5 HOH 49 649 53  HOH HOH A . 
N 5 HOH 50 650 99  HOH HOH A . 
N 5 HOH 51 651 110 HOH HOH A . 
N 5 HOH 52 652 136 HOH HOH A . 
N 5 HOH 53 653 100 HOH HOH A . 
N 5 HOH 54 654 38  HOH HOH A . 
N 5 HOH 55 655 128 HOH HOH A . 
N 5 HOH 56 656 92  HOH HOH A . 
N 5 HOH 57 657 89  HOH HOH A . 
N 5 HOH 58 658 66  HOH HOH A . 
N 5 HOH 59 659 29  HOH HOH A . 
N 5 HOH 60 660 20  HOH HOH A . 
N 5 HOH 61 661 90  HOH HOH A . 
N 5 HOH 62 662 79  HOH HOH A . 
N 5 HOH 63 663 121 HOH HOH A . 
N 5 HOH 64 664 88  HOH HOH A . 
N 5 HOH 65 665 114 HOH HOH A . 
N 5 HOH 66 666 57  HOH HOH A . 
N 5 HOH 67 667 95  HOH HOH A . 
N 5 HOH 68 668 116 HOH HOH A . 
N 5 HOH 69 669 138 HOH HOH A . 
N 5 HOH 70 670 69  HOH HOH A . 
N 5 HOH 71 671 113 HOH HOH A . 
N 5 HOH 72 672 146 HOH HOH A . 
N 5 HOH 73 673 101 HOH HOH A . 
N 5 HOH 74 674 111 HOH HOH A . 
N 5 HOH 75 675 103 HOH HOH A . 
N 5 HOH 76 676 51  HOH HOH A . 
N 5 HOH 77 677 133 HOH HOH A . 
N 5 HOH 78 678 142 HOH HOH A . 
N 5 HOH 79 679 63  HOH HOH A . 
N 5 HOH 80 680 4   HOH HOH A . 
N 5 HOH 81 681 148 HOH HOH A . 
N 5 HOH 82 682 84  HOH HOH A . 
N 5 HOH 83 683 126 HOH HOH A . 
N 5 HOH 84 684 22  HOH HOH A . 
N 5 HOH 85 685 149 HOH HOH A . 
N 5 HOH 86 686 58  HOH HOH A . 
N 5 HOH 87 687 119 HOH HOH A . 
N 5 HOH 88 688 134 HOH HOH A . 
N 5 HOH 89 689 105 HOH HOH A . 
N 5 HOH 90 690 80  HOH HOH A . 
N 5 HOH 91 691 109 HOH HOH A . 
N 5 HOH 92 692 86  HOH HOH A . 
N 5 HOH 93 693 49  HOH HOH A . 
N 5 HOH 94 694 108 HOH HOH A . 
N 5 HOH 95 695 143 HOH HOH A . 
N 5 HOH 96 696 48  HOH HOH A . 
N 5 HOH 97 697 125 HOH HOH A . 
# 
loop_
_software.citation_id 
_software.classification 
_software.compiler_name 
_software.compiler_version 
_software.contact_author 
_software.contact_author_email 
_software.date 
_software.description 
_software.dependencies 
_software.hardware 
_software.language 
_software.location 
_software.mods 
_software.name 
_software.os 
_software.os_version 
_software.type 
_software.version 
_software.pdbx_ordinal 
? refinement       ? ? ? ? ? ? ? ? ? ? ? PHENIX  ? ? ? 1.20.1_4487 1 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? iMOSFLM ? ? ? .           2 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? Aimless ? ? ? .           3 
? phasing          ? ? ? ? ? ? ? ? ? ? ? MOLREP  ? ? ? .           4 
# 
_cell.angle_alpha                  90.000 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   90.000 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  90.000 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     9DPS 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     70.774 
_cell.length_a_esd                 ? 
_cell.length_b                     70.774 
_cell.length_b_esd                 ? 
_cell.length_c                     145.525 
_cell.length_c_esd                 ? 
_cell.volume                       728928.770 
_cell.volume_esd                   ? 
_cell.Z_PDB                        16 
_cell.reciprocal_angle_alpha       ? 
_cell.reciprocal_angle_beta        ? 
_cell.reciprocal_angle_gamma       ? 
_cell.reciprocal_angle_alpha_esd   ? 
_cell.reciprocal_angle_beta_esd    ? 
_cell.reciprocal_angle_gamma_esd   ? 
_cell.reciprocal_length_a          ? 
_cell.reciprocal_length_b          ? 
_cell.reciprocal_length_c          ? 
_cell.reciprocal_length_a_esd      ? 
_cell.reciprocal_length_b_esd      ? 
_cell.reciprocal_length_c_esd      ? 
_cell.pdbx_unique_axis             ? 
_cell.pdbx_esd_method              ? 
# 
_symmetry.entry_id                         9DPS 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                98 
_symmetry.space_group_name_Hall            'I 4bw 2bw' 
_symmetry.space_group_name_H-M             'I 41 2 2' 
_symmetry.pdbx_full_space_group_name_H-M   ? 
# 
_exptl.absorpt_coefficient_mu     ? 
_exptl.absorpt_correction_T_max   ? 
_exptl.absorpt_correction_T_min   ? 
_exptl.absorpt_correction_type    ? 
_exptl.absorpt_process_details    ? 
_exptl.entry_id                   9DPS 
_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             3.86 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          68.17 
_exptl_crystal.description                  ? 
_exptl_crystal.F_000                        ? 
_exptl_crystal.id                           1 
_exptl_crystal.preparation                  ? 
_exptl_crystal.size_max                     ? 
_exptl_crystal.size_mid                     ? 
_exptl_crystal.size_min                     ? 
_exptl_crystal.size_rad                     ? 
_exptl_crystal.colour_lustre                ? 
_exptl_crystal.colour_modifier              ? 
_exptl_crystal.colour_primary               ? 
_exptl_crystal.density_meas                 ? 
_exptl_crystal.density_meas_esd             ? 
_exptl_crystal.density_meas_gt              ? 
_exptl_crystal.density_meas_lt              ? 
_exptl_crystal.density_meas_temp            ? 
_exptl_crystal.density_meas_temp_esd        ? 
_exptl_crystal.density_meas_temp_gt         ? 
_exptl_crystal.density_meas_temp_lt         ? 
_exptl_crystal.pdbx_crystal_image_url       ? 
_exptl_crystal.pdbx_crystal_image_format    ? 
_exptl_crystal.pdbx_mosaicity               ? 
_exptl_crystal.pdbx_mosaicity_esd           ? 
_exptl_crystal.pdbx_mosaic_method           ? 
_exptl_crystal.pdbx_mosaic_block_size       ? 
_exptl_crystal.pdbx_mosaic_block_size_esd   ? 
# 
_exptl_crystal_grow.apparatus       ? 
_exptl_crystal_grow.atmosphere      ? 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.details         ? 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, HANGING DROP' 
_exptl_crystal_grow.method_ref      ? 
_exptl_crystal_grow.pH              7.5 
_exptl_crystal_grow.pressure        ? 
_exptl_crystal_grow.pressure_esd    ? 
_exptl_crystal_grow.seeding         ? 
_exptl_crystal_grow.seeding_ref     ? 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.temp_esd        ? 
_exptl_crystal_grow.time            ? 
_exptl_crystal_grow.pdbx_details    '1M NaCl, 22-26% glycerol, 0.1 M HEPES pH 7.5' 
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            289.15 
# 
_diffrn.ambient_environment              ? 
_diffrn.ambient_temp                     100 
_diffrn.ambient_temp_details             ? 
_diffrn.ambient_temp_esd                 ? 
_diffrn.crystal_id                       1 
_diffrn.crystal_support                  ? 
_diffrn.crystal_treatment                ? 
_diffrn.details                          ? 
_diffrn.id                               1 
_diffrn.ambient_pressure                 ? 
_diffrn.ambient_pressure_esd             ? 
_diffrn.ambient_pressure_gt              ? 
_diffrn.ambient_pressure_lt              ? 
_diffrn.ambient_temp_gt                  ? 
_diffrn.ambient_temp_lt                  ? 
_diffrn.pdbx_serial_crystal_experiment   Y 
# 
_diffrn_detector.details                      ? 
_diffrn_detector.detector                     PIXEL 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         'DECTRIS EIGER X 16M' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2023-02-17 
_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   1 
_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                        'APS BEAMLINE 22-ID' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        1 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   22-ID 
_diffrn_source.pdbx_synchrotron_site       APS 
# 
_reflns.B_iso_Wilson_estimate                          39.06 
_reflns.entry_id                                       9DPS 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              2.06 
_reflns.d_resolution_low                               63.65 
_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                                     11744 
_reflns.observed_criterion                             ? 
_reflns.observed_criterion_F_max                       ? 
_reflns.observed_criterion_F_min                       ? 
_reflns.observed_criterion_I_max                       ? 
_reflns.observed_criterion_I_min                       ? 
_reflns.observed_criterion_sigma_F                     ? 
_reflns.observed_criterion_sigma_I                     ? 
_reflns.percent_possible_obs                           99.5 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                5.8 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          7.2 
_reflns.pdbx_res_netI_over_av_sigmaI_2                 ? 
_reflns.pdbx_res_netI_over_sigmaI_2                    ? 
_reflns.pdbx_chi_squared                               1.09 
_reflns.pdbx_scaling_rejects                           ? 
_reflns.pdbx_d_res_high_opt                            ? 
_reflns.pdbx_d_res_low_opt                             ? 
_reflns.pdbx_d_res_opt_method                          ? 
_reflns.phase_calculation_details                      ? 
_reflns.pdbx_Rrim_I_all                                0.130 
_reflns.pdbx_Rpim_I_all                                0.066 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       ? 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   0.993 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              0.111 
_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                                    2.06 
_reflns_shell.d_res_low                                     2.12 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           2.1 
_reflns_shell.number_measured_all                           ? 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             903 
_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                               6.0 
_reflns_shell.pdbx_chi_squared                              1.21 
_reflns_shell.pdbx_netI_over_sigmaI_all                     ? 
_reflns_shell.pdbx_netI_over_sigmaI_obs                     ? 
_reflns_shell.pdbx_Rrim_I_all                               1.177 
_reflns_shell.pdbx_Rpim_I_all                               0.596 
_reflns_shell.pdbx_rejects                                  ? 
_reflns_shell.pdbx_ordinal                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  0.794 
_reflns_shell.pdbx_CC_star                                  ? 
_reflns_shell.pdbx_R_split                                  ? 
_reflns_shell.percent_possible_all                          99.9 
_reflns_shell.Rmerge_I_all                                  ? 
_reflns_shell.Rmerge_I_obs                                  1.004 
_reflns_shell.pdbx_Rsym_value                               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal             ? 
_reflns_shell.pdbx_percent_possible_spherical               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal_anomalous   ? 
_reflns_shell.pdbx_percent_possible_spherical_anomalous     ? 
_reflns_shell.pdbx_redundancy_anomalous                     ? 
_reflns_shell.pdbx_CC_half_anomalous                        ? 
_reflns_shell.pdbx_absDiff_over_sigma_anomalous             ? 
_reflns_shell.pdbx_percent_possible_anomalous               ? 
# 
_refine.aniso_B[1][1]                            ? 
_refine.aniso_B[1][2]                            ? 
_refine.aniso_B[1][3]                            ? 
_refine.aniso_B[2][2]                            ? 
_refine.aniso_B[2][3]                            ? 
_refine.aniso_B[3][3]                            ? 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               58.05 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               ? 
_refine.correlation_coeff_Fo_to_Fc_free          ? 
_refine.details                                  ? 
_refine.diff_density_max                         ? 
_refine.diff_density_max_esd                     ? 
_refine.diff_density_min                         ? 
_refine.diff_density_min_esd                     ? 
_refine.diff_density_rms                         ? 
_refine.diff_density_rms_esd                     ? 
_refine.entry_id                                 9DPS 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_abs_structure_details                 ? 
_refine.ls_abs_structure_Flack                   ? 
_refine.ls_abs_structure_Flack_esd               ? 
_refine.ls_abs_structure_Rogers                  ? 
_refine.ls_abs_structure_Rogers_esd              ? 
_refine.ls_d_res_high                            2.06 
_refine.ls_d_res_low                             31.82 
_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                     11684 
_refine.ls_number_reflns_R_free                  588 
_refine.ls_number_reflns_R_work                  11096 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    98.62 
_refine.ls_percent_reflns_R_free                 5.03 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.2179 
_refine.ls_R_factor_R_free                       0.2490 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.2163 
_refine.ls_R_Fsqd_factor_obs                     ? 
_refine.ls_R_I_factor_obs                        ? 
_refine.ls_redundancy_reflns_all                 ? 
_refine.ls_redundancy_reflns_obs                 ? 
_refine.ls_restrained_S_all                      ? 
_refine.ls_restrained_S_obs                      ? 
_refine.ls_shift_over_esd_max                    ? 
_refine.ls_shift_over_esd_mean                   ? 
_refine.ls_structure_factor_coef                 ? 
_refine.ls_weighting_details                     ? 
_refine.ls_weighting_scheme                      ? 
_refine.ls_wR_factor_all                         ? 
_refine.ls_wR_factor_obs                         ? 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_wR_factor_R_work                      ? 
_refine.occupancy_max                            ? 
_refine.occupancy_min                            ? 
_refine.solvent_model_details                    'FLAT BULK SOLVENT MODEL' 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_R_complete                          ? 
_refine.ls_R_factor_gt                           ? 
_refine.ls_goodness_of_fit_gt                    ? 
_refine.ls_goodness_of_fit_ref                   ? 
_refine.ls_shift_over_su_max                     ? 
_refine.ls_shift_over_su_max_lt                  ? 
_refine.ls_shift_over_su_mean                    ? 
_refine.ls_shift_over_su_mean_lt                 ? 
_refine.pdbx_ls_sigma_I                          ? 
_refine.pdbx_ls_sigma_F                          1.02 
_refine.pdbx_ls_sigma_Fsqd                       ? 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.pdbx_ls_cross_valid_method               'FREE R-VALUE' 
_refine.pdbx_method_to_determine_struct          'MOLECULAR REPLACEMENT' 
_refine.pdbx_starting_model                      ? 
_refine.pdbx_stereochemistry_target_values       'GeoStd + Monomer Library + CDL v1.2' 
_refine.pdbx_R_Free_selection_details            ? 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_overall_ESU_R                       ? 
_refine.pdbx_overall_ESU_R_Free                  ? 
_refine.pdbx_solvent_vdw_probe_radii             1.1000 
_refine.pdbx_solvent_ion_probe_radii             ? 
_refine.pdbx_solvent_shrinkage_radii             0.9000 
_refine.pdbx_real_space_R                        ? 
_refine.pdbx_density_correlation                 ? 
_refine.pdbx_pd_number_of_powder_patterns        ? 
_refine.pdbx_pd_number_of_points                 ? 
_refine.pdbx_pd_meas_number_of_points            ? 
_refine.pdbx_pd_proc_ls_prof_R_factor            ? 
_refine.pdbx_pd_proc_ls_prof_wR_factor           ? 
_refine.pdbx_pd_Marquardt_correlation_coeff      ? 
_refine.pdbx_pd_Fsqrd_R_factor                   ? 
_refine.pdbx_pd_ls_matrix_band_width             ? 
_refine.pdbx_overall_phase_error                 29.2034 
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI   ? 
_refine.pdbx_overall_SU_R_free_Blow_DPI          ? 
_refine.pdbx_overall_SU_R_Blow_DPI               ? 
_refine.pdbx_TLS_residual_ADP_flag               ? 
_refine.pdbx_diffrn_id                           1 
_refine.overall_SU_B                             ? 
_refine.overall_SU_ML                            0.2576 
_refine.overall_SU_R_Cruickshank_DPI             ? 
_refine.overall_SU_R_free                        ? 
_refine.overall_FOM_free_R_set                   ? 
_refine.overall_FOM_work_R_set                   ? 
_refine.pdbx_average_fsc_overall                 ? 
_refine.pdbx_average_fsc_work                    ? 
_refine.pdbx_average_fsc_free                    ? 
# 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.cycle_id                         LAST 
_refine_hist.details                          ? 
_refine_hist.d_res_high                       2.06 
_refine_hist.d_res_low                        31.82 
_refine_hist.number_atoms_solvent             97 
_refine_hist.number_atoms_total               943 
_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        824 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         22 
_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' ? 0.0079  ? 869  ? f_bond_d           ? ? 
'X-RAY DIFFRACTION' ? 1.0379  ? 1178 ? f_angle_d          ? ? 
'X-RAY DIFFRACTION' ? 0.0663  ? 128  ? f_chiral_restr     ? ? 
'X-RAY DIFFRACTION' ? 0.0096  ? 147  ? f_plane_restr      ? ? 
'X-RAY DIFFRACTION' ? 14.0823 ? 317  ? f_dihedral_angle_d ? ? 
# 
loop_
_refine_ls_shell.pdbx_refine_id 
_refine_ls_shell.d_res_high 
_refine_ls_shell.d_res_low 
_refine_ls_shell.number_reflns_all 
_refine_ls_shell.number_reflns_obs 
_refine_ls_shell.number_reflns_R_free 
_refine_ls_shell.number_reflns_R_work 
_refine_ls_shell.percent_reflns_obs 
_refine_ls_shell.percent_reflns_R_free 
_refine_ls_shell.R_factor_all 
_refine_ls_shell.R_factor_obs 
_refine_ls_shell.R_factor_R_free_error 
_refine_ls_shell.R_factor_R_work 
_refine_ls_shell.redundancy_reflns_all 
_refine_ls_shell.redundancy_reflns_obs 
_refine_ls_shell.wR_factor_all 
_refine_ls_shell.wR_factor_obs 
_refine_ls_shell.wR_factor_R_free 
_refine_ls_shell.wR_factor_R_work 
_refine_ls_shell.pdbx_R_complete 
_refine_ls_shell.pdbx_total_number_of_bins_used 
_refine_ls_shell.pdbx_phase_error 
_refine_ls_shell.pdbx_fsc_work 
_refine_ls_shell.pdbx_fsc_free 
_refine_ls_shell.R_factor_R_free 
'X-RAY DIFFRACTION' 2.06 2.27  . . 155 2711 98.76 . . . . 0.2764 . . . . . . . . . . . 0.2817 
'X-RAY DIFFRACTION' 2.27 2.60  . . 137 2738 99.04 . . . . 0.2586 . . . . . . . . . . . 0.3164 
'X-RAY DIFFRACTION' 2.60 3.27  . . 150 2775 99.32 . . . . 0.2237 . . . . . . . . . . . 0.2840 
'X-RAY DIFFRACTION' 3.27 31.82 . . 146 2872 97.48 . . . . 0.1958 . . . . . . . . . . . 0.2178 
# 
_struct.entry_id                     9DPS 
_struct.title                        'BMP-9 G389S Dimer Without Radiation Damage in Neutral pH' 
_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        9DPS 
_struct_keywords.text            'SIGNALING PROTEIN, BMP, bone morphogenetic protein, TGF-beta family' 
_struct_keywords.pdbx_keywords   'SIGNALING 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 2 ? 
D N N 2 ? 
E N N 2 ? 
F N N 2 ? 
G N N 2 ? 
H N N 3 ? 
I N N 3 ? 
J N N 3 ? 
K N N 3 ? 
L N N 4 ? 
M N N 4 ? 
N N N 5 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    GDF2_HUMAN 
_struct_ref.pdbx_db_accession          Q9UK05 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;SAGAGSHCQKTSLRVNFEDIGWDSWIIAPKEYEAYECKGGCFFPLADDVTPTKHAIVQTLVHLKFPTKVGKACCVPTKLS
PISVLYKDDMGVPTLKYHYEGMSVAECGCR
;
_struct_ref.pdbx_align_begin           320 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              9DPS 
_struct_ref_seq.pdbx_strand_id                A 
_struct_ref_seq.seq_align_beg                 1 
_struct_ref_seq.pdbx_seq_align_beg_ins_code   ? 
_struct_ref_seq.seq_align_end                 110 
_struct_ref_seq.pdbx_seq_align_end_ins_code   ? 
_struct_ref_seq.pdbx_db_accession             Q9UK05 
_struct_ref_seq.db_align_beg                  320 
_struct_ref_seq.pdbx_db_align_beg_ins_code    ? 
_struct_ref_seq.db_align_end                  429 
_struct_ref_seq.pdbx_db_align_end_ins_code    ? 
_struct_ref_seq.pdbx_auth_seq_align_beg       320 
_struct_ref_seq.pdbx_auth_seq_align_end       429 
# 
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 9DPS SER A 2  ? UNP Q9UK05 ALA 321 'engineered mutation' 321 1 
1 9DPS SER A 70 ? UNP Q9UK05 GLY 389 'engineered mutation' 389 2 
# 
_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_gen.assembly_id 
_pdbx_struct_assembly_gen.oper_expression 
_pdbx_struct_assembly_gen.asym_id_list 
1 1 A,B,C,D,E,F,G,H,I,J,K,L,M,N 
1 2 A,B,C,D,E,F,G,H,I,J,K,L,M,N 
# 
_pdbx_struct_assembly_auth_evidence.id                     1 
_pdbx_struct_assembly_auth_evidence.assembly_id            1 
_pdbx_struct_assembly_auth_evidence.experimental_support   none 
_pdbx_struct_assembly_auth_evidence.details                'Covalent dimer observed by SDS Gel.' 
# 
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' 5_454 -x-1/2,y,-z-1/4 -1.0000000000 0.0000000000 0.0000000000 -35.3870000000 0.0000000000 
1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -1.0000000000 -36.3812500000 
# 
_struct_conf.conf_type_id            HELX_P 
_struct_conf.id                      HELX_P1 
_struct_conf.pdbx_PDB_helix_id       AA1 
_struct_conf.beg_label_comp_id       THR 
_struct_conf.beg_label_asym_id       A 
_struct_conf.beg_label_seq_id        52 
_struct_conf.pdbx_beg_PDB_ins_code   ? 
_struct_conf.end_label_comp_id       PHE 
_struct_conf.end_label_asym_id       A 
_struct_conf.end_label_seq_id        65 
_struct_conf.pdbx_end_PDB_ins_code   ? 
_struct_conf.beg_auth_comp_id        THR 
_struct_conf.beg_auth_asym_id        A 
_struct_conf.beg_auth_seq_id         371 
_struct_conf.end_auth_comp_id        PHE 
_struct_conf.end_auth_asym_id        A 
_struct_conf.end_auth_seq_id         384 
_struct_conf.pdbx_PDB_helix_class    1 
_struct_conf.details                 ? 
_struct_conf.pdbx_PDB_helix_length   14 
# 
_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 
disulf1 disulf ? ? A CYS 8  SG  ? ? ? 1_555 A CYS 74  SG ? ? A CYS 327 A CYS 393 1_555  ? ? ? ? ? ? ? 2.031 ? ? 
disulf2 disulf ? ? A CYS 37 SG  ? ? ? 1_555 A CYS 107 SG ? ? A CYS 356 A CYS 426 1_555  ? ? ? ? ? ? ? 1.997 ? ? 
disulf3 disulf ? ? A CYS 41 SG  ? ? ? 1_555 A CYS 109 SG ? ? A CYS 360 A CYS 428 1_555  ? ? ? ? ? ? ? 2.039 ? ? 
disulf4 disulf ? ? A CYS 73 SG  ? ? ? 1_555 A CYS 73  SG ? ? A CYS 392 A CYS 392 5_454  ? ? ? ? ? ? ? 2.053 ? ? 
metalc1 metalc ? ? A THR 67 OG1 ? ? ? 1_555 I NA  .   NA ? ? A THR 386 A NA  508 1_555  ? ? ? ? ? ? ? 2.764 ? ? 
metalc2 metalc ? ? A TYR 97 OH  ? ? ? 1_555 H NA  .   NA ? ? A TYR 416 A NA  507 1_555  ? ? ? ? ? ? ? 2.780 ? ? 
metalc3 metalc ? ? H NA  .  NA  ? ? ? 1_555 N HOH .   O  ? ? A NA  507 A HOH 638 10_545 ? ? ? ? ? ? ? 2.973 ? ? 
# 
loop_
_struct_conn_type.id 
_struct_conn_type.criteria 
_struct_conn_type.reference 
disulf ? ? 
metalc ? ? 
# 
_pdbx_struct_conn_angle.id                    1 
_pdbx_struct_conn_angle.ptnr1_label_atom_id   OH 
_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   TYR 
_pdbx_struct_conn_angle.ptnr1_label_seq_id    97 
_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    TYR 
_pdbx_struct_conn_angle.ptnr1_auth_seq_id     416 
_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   H 
_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     507 
_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   N 
_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     638 
_pdbx_struct_conn_angle.ptnr3_PDB_ins_code    ? 
_pdbx_struct_conn_angle.ptnr3_symmetry        10_545 
_pdbx_struct_conn_angle.value                 116.0 
_pdbx_struct_conn_angle.value_esd             ? 
# 
loop_
_pdbx_modification_feature.ordinal 
_pdbx_modification_feature.label_comp_id 
_pdbx_modification_feature.label_asym_id 
_pdbx_modification_feature.label_seq_id 
_pdbx_modification_feature.label_alt_id 
_pdbx_modification_feature.modified_residue_label_comp_id 
_pdbx_modification_feature.modified_residue_label_asym_id 
_pdbx_modification_feature.modified_residue_label_seq_id 
_pdbx_modification_feature.modified_residue_label_alt_id 
_pdbx_modification_feature.auth_comp_id 
_pdbx_modification_feature.auth_asym_id 
_pdbx_modification_feature.auth_seq_id 
_pdbx_modification_feature.PDB_ins_code 
_pdbx_modification_feature.symmetry 
_pdbx_modification_feature.modified_residue_auth_comp_id 
_pdbx_modification_feature.modified_residue_auth_asym_id 
_pdbx_modification_feature.modified_residue_auth_seq_id 
_pdbx_modification_feature.modified_residue_PDB_ins_code 
_pdbx_modification_feature.modified_residue_symmetry 
_pdbx_modification_feature.comp_id_linking_atom 
_pdbx_modification_feature.modified_residue_id_linking_atom 
_pdbx_modification_feature.modified_residue_id 
_pdbx_modification_feature.ref_pcm_id 
_pdbx_modification_feature.ref_comp_id 
_pdbx_modification_feature.type 
_pdbx_modification_feature.category 
1 CYS A 8  ? CYS A 74  ? CYS A 327 ? 1_555 CYS A 393 ? 1_555 SG SG . . . None 'Disulfide bridge' 
2 CYS A 37 ? CYS A 107 ? CYS A 356 ? 1_555 CYS A 426 ? 1_555 SG SG . . . None 'Disulfide bridge' 
3 CYS A 41 ? CYS A 109 ? CYS A 360 ? 1_555 CYS A 428 ? 1_555 SG SG . . . None 'Disulfide bridge' 
4 CYS A 73 ? CYS A 73  ? CYS A 392 ? 1_555 CYS A 392 ? 5_454 SG SG . . . None 'Disulfide bridge' 
# 
loop_
_struct_mon_prot_cis.pdbx_id 
_struct_mon_prot_cis.label_comp_id 
_struct_mon_prot_cis.label_seq_id 
_struct_mon_prot_cis.label_asym_id 
_struct_mon_prot_cis.label_alt_id 
_struct_mon_prot_cis.pdbx_PDB_ins_code 
_struct_mon_prot_cis.auth_comp_id 
_struct_mon_prot_cis.auth_seq_id 
_struct_mon_prot_cis.auth_asym_id 
_struct_mon_prot_cis.pdbx_label_comp_id_2 
_struct_mon_prot_cis.pdbx_label_seq_id_2 
_struct_mon_prot_cis.pdbx_label_asym_id_2 
_struct_mon_prot_cis.pdbx_PDB_ins_code_2 
_struct_mon_prot_cis.pdbx_auth_comp_id_2 
_struct_mon_prot_cis.pdbx_auth_seq_id_2 
_struct_mon_prot_cis.pdbx_auth_asym_id_2 
_struct_mon_prot_cis.pdbx_PDB_model_num 
_struct_mon_prot_cis.pdbx_omega_angle 
1 ALA 28 A . ? ALA 347 A PRO 29 A ? PRO 348 A 1 1.51 
2 PHE 43 A . ? PHE 362 A PRO 44 A ? PRO 363 A 1 0.47 
# 
loop_
_struct_sheet.id 
_struct_sheet.type 
_struct_sheet.number_strands 
_struct_sheet.details 
AA1 ? 2 ? 
AA2 ? 2 ? 
AA3 ? 3 ? 
# 
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 
AA2 1 2 ? anti-parallel 
AA3 1 2 ? anti-parallel 
AA3 2 3 ? 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 GLN A 9  ? THR A 11  ? GLN A 328 THR A 330 
AA1 2 GLU A 36 ? LYS A 38  ? GLU A 355 LYS A 357 
AA2 1 ARG A 14 ? ASN A 16  ? ARG A 333 ASN A 335 
AA2 2 GLU A 31 ? GLU A 33  ? GLU A 350 GLU A 352 
AA3 1 ILE A 26 ? ALA A 28  ? ILE A 345 ALA A 347 
AA3 2 CYS A 74 ? LYS A 87  ? CYS A 393 LYS A 406 
AA3 3 PRO A 93 ? CYS A 109 ? PRO A 412 CYS A 428 
# 
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 GLN A 9  ? N GLN A 328 O LYS A 38 ? O LYS A 357 
AA2 1 2 N VAL A 15 ? N VAL A 334 O TYR A 32 ? O TYR A 351 
AA3 1 2 N ALA A 28 ? N ALA A 347 O LEU A 85 ? O LEU A 404 
AA3 2 3 N TYR A 86 ? N TYR A 405 O THR A 94 ? O THR A 413 
# 
_pdbx_entry_details.entry_id                   9DPS 
_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   Y 
# 
_pdbx_validate_torsion.id              1 
_pdbx_validate_torsion.PDB_model_num   1 
_pdbx_validate_torsion.auth_comp_id    TYR 
_pdbx_validate_torsion.auth_asym_id    A 
_pdbx_validate_torsion.auth_seq_id     354 
_pdbx_validate_torsion.PDB_ins_code    ? 
_pdbx_validate_torsion.label_alt_id    ? 
_pdbx_validate_torsion.phi             51.56 
_pdbx_validate_torsion.psi             175.51 
# 
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 CL  505 ? F CL  . 
2 1 A HOH 671 ? N HOH . 
# 
loop_
_space_group_symop.id 
_space_group_symop.operation_xyz 
1  x,y,z                
2  -y+1/2,x,z+3/4       
3  y+1/2,-x,z+3/4       
4  x+1/2,-y,-z+3/4      
5  -x+1/2,y,-z+3/4      
6  -x,-y,z              
7  y,x,-z               
8  -y,-x,-z             
9  x+1/2,y+1/2,z+1/2    
10 -y+1,x+1/2,z+5/4     
11 y+1,-x+1/2,z+5/4     
12 x+1,-y+1/2,-z+5/4    
13 -x+1,y+1/2,-z+5/4    
14 -x+1/2,-y+1/2,z+1/2  
15 y+1/2,x+1/2,-z+1/2   
16 -y+1/2,-x+1/2,-z+1/2 
# 
loop_
_pdbx_refine_tls.id 
_pdbx_refine_tls.pdbx_refine_id 
_pdbx_refine_tls.details 
_pdbx_refine_tls.method 
_pdbx_refine_tls.origin_x 
_pdbx_refine_tls.origin_y 
_pdbx_refine_tls.origin_z 
_pdbx_refine_tls.T[1][1] 
_pdbx_refine_tls.T[1][1]_esd 
_pdbx_refine_tls.T[1][2] 
_pdbx_refine_tls.T[1][2]_esd 
_pdbx_refine_tls.T[1][3] 
_pdbx_refine_tls.T[1][3]_esd 
_pdbx_refine_tls.T[2][2] 
_pdbx_refine_tls.T[2][2]_esd 
_pdbx_refine_tls.T[2][3] 
_pdbx_refine_tls.T[2][3]_esd 
_pdbx_refine_tls.T[3][3] 
_pdbx_refine_tls.T[3][3]_esd 
_pdbx_refine_tls.L[1][1] 
_pdbx_refine_tls.L[1][1]_esd 
_pdbx_refine_tls.L[1][2] 
_pdbx_refine_tls.L[1][2]_esd 
_pdbx_refine_tls.L[1][3] 
_pdbx_refine_tls.L[1][3]_esd 
_pdbx_refine_tls.L[2][2] 
_pdbx_refine_tls.L[2][2]_esd 
_pdbx_refine_tls.L[2][3] 
_pdbx_refine_tls.L[2][3]_esd 
_pdbx_refine_tls.L[3][3] 
_pdbx_refine_tls.L[3][3]_esd 
_pdbx_refine_tls.S[1][1] 
_pdbx_refine_tls.S[1][1]_esd 
_pdbx_refine_tls.S[1][2] 
_pdbx_refine_tls.S[1][2]_esd 
_pdbx_refine_tls.S[1][3] 
_pdbx_refine_tls.S[1][3]_esd 
_pdbx_refine_tls.S[2][1] 
_pdbx_refine_tls.S[2][1]_esd 
_pdbx_refine_tls.S[2][2] 
_pdbx_refine_tls.S[2][2]_esd 
_pdbx_refine_tls.S[2][3] 
_pdbx_refine_tls.S[2][3]_esd 
_pdbx_refine_tls.S[3][1] 
_pdbx_refine_tls.S[3][1]_esd 
_pdbx_refine_tls.S[3][2] 
_pdbx_refine_tls.S[3][2]_esd 
_pdbx_refine_tls.S[3][3] 
_pdbx_refine_tls.S[3][3]_esd 
1 'X-RAY DIFFRACTION' ? refined -4.80572033451 -22.1443594741 -6.70243453731 0.390945074247 ? 0.138976506778  ? -0.0120277957512 ? 
0.403733347747 ? -0.0673846723959 ? 0.306064403592 ? 6.78552967259 ? -0.363444571211 ? 2.83686651808 ? 6.63245665022 ? 
1.09837131738  ? 8.496298693   ? -0.583548767974  ? -0.279862269632 ? 0.400965793863  ? 0.878627159416  ? 0.367079264134  ? 
-0.264159506269 ? -0.688303835832  ? 0.256868432645  ? 0.138491656549  ? 
2 'X-RAY DIFFRACTION' ? refined -19.2561739741 -18.8495855826 -29.1140598421 0.363799898183 ? -0.102434094602 ? 0.00386738161115 ? 
0.463538733957 ? 0.034466391682   ? 0.221610885695 ? 7.10894926257 ? 1.74366492053   ? 0.8985123543  ? 8.13563272531 ? 
-3.62650742265 ? 3.37539570169 ? -0.0806877875587 ? 0.47088168944   ? 0.239230598741  ? 0.0944377579315 ? -0.253255399864 ? 
-0.648184296811 ? -0.274885779427  ? 0.671909874678  ? 0.422394032273  ? 
3 'X-RAY DIFFRACTION' ? refined -8.27271344992 -32.0820163977 -4.69983825519 0.459172185285 ? 0.1817526033    ? 0.0622779756479  ? 
0.450312021428 ? 0.0262509293907  ? 0.28800695919  ? 7.7784640349  ? -2.15736496252  ? 3.69798853501 ? 4.66796583918 ? 
-2.00475208346 ? 2.3840821099  ? -0.33658452365   ? -0.799689332958 ? -0.668313158169 ? 0.844966320053  ? 0.481853266423  ? 
0.108987605884  ? -0.0186870576835 ? -0.046653844458 ? 0.0385051963243 ? 
# 
loop_
_pdbx_refine_tls_group.id 
_pdbx_refine_tls_group.pdbx_refine_id 
_pdbx_refine_tls_group.refine_tls_id 
_pdbx_refine_tls_group.beg_label_asym_id 
_pdbx_refine_tls_group.beg_label_seq_id 
_pdbx_refine_tls_group.beg_auth_asym_id 
_pdbx_refine_tls_group.beg_auth_seq_id 
_pdbx_refine_tls_group.beg_PDB_ins_code 
_pdbx_refine_tls_group.end_label_asym_id 
_pdbx_refine_tls_group.end_label_seq_id 
_pdbx_refine_tls_group.end_auth_asym_id 
_pdbx_refine_tls_group.end_auth_seq_id 
_pdbx_refine_tls_group.end_PDB_ins_code 
_pdbx_refine_tls_group.selection 
_pdbx_refine_tls_group.selection_details 
1 'X-RAY DIFFRACTION' 1 A 1  A 325 ? A 33  A 357 ? ? 
;chain 'A' and (resid  325  through  357 )
;
2 'X-RAY DIFFRACTION' 2 A 34 A 358 ? A 68  A 392 ? ? 
;chain 'A' and (resid  358  through  392 )
;
3 'X-RAY DIFFRACTION' 3 A 69 A 393 ? A 105 A 429 ? ? 
;chain 'A' and (resid  393  through  429 )
;
# 
_pdbx_distant_solvent_atoms.id                                1 
_pdbx_distant_solvent_atoms.PDB_model_num                     1 
_pdbx_distant_solvent_atoms.auth_atom_id                      O 
_pdbx_distant_solvent_atoms.label_alt_id                      ? 
_pdbx_distant_solvent_atoms.auth_asym_id                      A 
_pdbx_distant_solvent_atoms.auth_comp_id                      HOH 
_pdbx_distant_solvent_atoms.auth_seq_id                       697 
_pdbx_distant_solvent_atoms.PDB_ins_code                      ? 
_pdbx_distant_solvent_atoms.neighbor_macromolecule_distance   7.29 
_pdbx_distant_solvent_atoms.neighbor_ligand_distance          . 
# 
loop_
_pdbx_unobs_or_zero_occ_residues.id 
_pdbx_unobs_or_zero_occ_residues.PDB_model_num 
_pdbx_unobs_or_zero_occ_residues.polymer_flag 
_pdbx_unobs_or_zero_occ_residues.occupancy_flag 
_pdbx_unobs_or_zero_occ_residues.auth_asym_id 
_pdbx_unobs_or_zero_occ_residues.auth_comp_id 
_pdbx_unobs_or_zero_occ_residues.auth_seq_id 
_pdbx_unobs_or_zero_occ_residues.PDB_ins_code 
_pdbx_unobs_or_zero_occ_residues.label_asym_id 
_pdbx_unobs_or_zero_occ_residues.label_comp_id 
_pdbx_unobs_or_zero_occ_residues.label_seq_id 
1 1 Y 1 A SER 320 ? A SER 1 
2 1 Y 1 A SER 321 ? A SER 2 
3 1 Y 1 A GLY 322 ? A GLY 3 
4 1 Y 1 A ALA 323 ? A ALA 4 
5 1 Y 1 A GLY 324 ? A GLY 5 
# 
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  
CL  CL   CL N N 74  
CYS N    N  N N 75  
CYS CA   C  N R 76  
CYS C    C  N N 77  
CYS O    O  N N 78  
CYS CB   C  N N 79  
CYS SG   S  N N 80  
CYS OXT  O  N N 81  
CYS H    H  N N 82  
CYS H2   H  N N 83  
CYS HA   H  N N 84  
CYS HB2  H  N N 85  
CYS HB3  H  N N 86  
CYS HG   H  N N 87  
CYS HXT  H  N N 88  
GLN N    N  N N 89  
GLN CA   C  N S 90  
GLN C    C  N N 91  
GLN O    O  N N 92  
GLN CB   C  N N 93  
GLN CG   C  N N 94  
GLN CD   C  N N 95  
GLN OE1  O  N N 96  
GLN NE2  N  N N 97  
GLN OXT  O  N N 98  
GLN H    H  N N 99  
GLN H2   H  N N 100 
GLN HA   H  N N 101 
GLN HB2  H  N N 102 
GLN HB3  H  N N 103 
GLN HG2  H  N N 104 
GLN HG3  H  N N 105 
GLN HE21 H  N N 106 
GLN HE22 H  N N 107 
GLN HXT  H  N N 108 
GLU N    N  N N 109 
GLU CA   C  N S 110 
GLU C    C  N N 111 
GLU O    O  N N 112 
GLU CB   C  N N 113 
GLU CG   C  N N 114 
GLU CD   C  N N 115 
GLU OE1  O  N N 116 
GLU OE2  O  N N 117 
GLU OXT  O  N N 118 
GLU H    H  N N 119 
GLU H2   H  N N 120 
GLU HA   H  N N 121 
GLU HB2  H  N N 122 
GLU HB3  H  N N 123 
GLU HG2  H  N N 124 
GLU HG3  H  N N 125 
GLU HE2  H  N N 126 
GLU HXT  H  N N 127 
GLY N    N  N N 128 
GLY CA   C  N N 129 
GLY C    C  N N 130 
GLY O    O  N N 131 
GLY OXT  O  N N 132 
GLY H    H  N N 133 
GLY H2   H  N N 134 
GLY HA2  H  N N 135 
GLY HA3  H  N N 136 
GLY HXT  H  N N 137 
GOL C1   C  N N 138 
GOL O1   O  N N 139 
GOL C2   C  N N 140 
GOL O2   O  N N 141 
GOL C3   C  N N 142 
GOL O3   O  N N 143 
GOL H11  H  N N 144 
GOL H12  H  N N 145 
GOL HO1  H  N N 146 
GOL H2   H  N N 147 
GOL HO2  H  N N 148 
GOL H31  H  N N 149 
GOL H32  H  N N 150 
GOL HO3  H  N N 151 
HIS N    N  N N 152 
HIS CA   C  N S 153 
HIS C    C  N N 154 
HIS O    O  N N 155 
HIS CB   C  N N 156 
HIS CG   C  Y N 157 
HIS ND1  N  Y N 158 
HIS CD2  C  Y N 159 
HIS CE1  C  Y N 160 
HIS NE2  N  Y N 161 
HIS OXT  O  N N 162 
HIS H    H  N N 163 
HIS H2   H  N N 164 
HIS HA   H  N N 165 
HIS HB2  H  N N 166 
HIS HB3  H  N N 167 
HIS HD1  H  N N 168 
HIS HD2  H  N N 169 
HIS HE1  H  N N 170 
HIS HE2  H  N N 171 
HIS HXT  H  N N 172 
HOH O    O  N N 173 
HOH H1   H  N N 174 
HOH H2   H  N N 175 
ILE N    N  N N 176 
ILE CA   C  N S 177 
ILE C    C  N N 178 
ILE O    O  N N 179 
ILE CB   C  N S 180 
ILE CG1  C  N N 181 
ILE CG2  C  N N 182 
ILE CD1  C  N N 183 
ILE OXT  O  N N 184 
ILE H    H  N N 185 
ILE H2   H  N N 186 
ILE HA   H  N N 187 
ILE HB   H  N N 188 
ILE HG12 H  N N 189 
ILE HG13 H  N N 190 
ILE HG21 H  N N 191 
ILE HG22 H  N N 192 
ILE HG23 H  N N 193 
ILE HD11 H  N N 194 
ILE HD12 H  N N 195 
ILE HD13 H  N N 196 
ILE HXT  H  N N 197 
LEU N    N  N N 198 
LEU CA   C  N S 199 
LEU C    C  N N 200 
LEU O    O  N N 201 
LEU CB   C  N N 202 
LEU CG   C  N N 203 
LEU CD1  C  N N 204 
LEU CD2  C  N N 205 
LEU OXT  O  N N 206 
LEU H    H  N N 207 
LEU H2   H  N N 208 
LEU HA   H  N N 209 
LEU HB2  H  N N 210 
LEU HB3  H  N N 211 
LEU HG   H  N N 212 
LEU HD11 H  N N 213 
LEU HD12 H  N N 214 
LEU HD13 H  N N 215 
LEU HD21 H  N N 216 
LEU HD22 H  N N 217 
LEU HD23 H  N N 218 
LEU HXT  H  N N 219 
LYS N    N  N N 220 
LYS CA   C  N S 221 
LYS C    C  N N 222 
LYS O    O  N N 223 
LYS CB   C  N N 224 
LYS CG   C  N N 225 
LYS CD   C  N N 226 
LYS CE   C  N N 227 
LYS NZ   N  N N 228 
LYS OXT  O  N N 229 
LYS H    H  N N 230 
LYS H2   H  N N 231 
LYS HA   H  N N 232 
LYS HB2  H  N N 233 
LYS HB3  H  N N 234 
LYS HG2  H  N N 235 
LYS HG3  H  N N 236 
LYS HD2  H  N N 237 
LYS HD3  H  N N 238 
LYS HE2  H  N N 239 
LYS HE3  H  N N 240 
LYS HZ1  H  N N 241 
LYS HZ2  H  N N 242 
LYS HZ3  H  N N 243 
LYS HXT  H  N N 244 
MET N    N  N N 245 
MET CA   C  N S 246 
MET C    C  N N 247 
MET O    O  N N 248 
MET CB   C  N N 249 
MET CG   C  N N 250 
MET SD   S  N N 251 
MET CE   C  N N 252 
MET OXT  O  N N 253 
MET H    H  N N 254 
MET H2   H  N N 255 
MET HA   H  N N 256 
MET HB2  H  N N 257 
MET HB3  H  N N 258 
MET HG2  H  N N 259 
MET HG3  H  N N 260 
MET HE1  H  N N 261 
MET HE2  H  N N 262 
MET HE3  H  N N 263 
MET HXT  H  N N 264 
NA  NA   NA N N 265 
PHE N    N  N N 266 
PHE CA   C  N S 267 
PHE C    C  N N 268 
PHE O    O  N N 269 
PHE CB   C  N N 270 
PHE CG   C  Y N 271 
PHE CD1  C  Y N 272 
PHE CD2  C  Y N 273 
PHE CE1  C  Y N 274 
PHE CE2  C  Y N 275 
PHE CZ   C  Y N 276 
PHE OXT  O  N N 277 
PHE H    H  N N 278 
PHE H2   H  N N 279 
PHE HA   H  N N 280 
PHE HB2  H  N N 281 
PHE HB3  H  N N 282 
PHE HD1  H  N N 283 
PHE HD2  H  N N 284 
PHE HE1  H  N N 285 
PHE HE2  H  N N 286 
PHE HZ   H  N N 287 
PHE HXT  H  N N 288 
PRO N    N  N N 289 
PRO CA   C  N S 290 
PRO C    C  N N 291 
PRO O    O  N N 292 
PRO CB   C  N N 293 
PRO CG   C  N N 294 
PRO CD   C  N N 295 
PRO OXT  O  N N 296 
PRO H    H  N N 297 
PRO HA   H  N N 298 
PRO HB2  H  N N 299 
PRO HB3  H  N N 300 
PRO HG2  H  N N 301 
PRO HG3  H  N N 302 
PRO HD2  H  N N 303 
PRO HD3  H  N N 304 
PRO HXT  H  N N 305 
SER N    N  N N 306 
SER CA   C  N S 307 
SER C    C  N N 308 
SER O    O  N N 309 
SER CB   C  N N 310 
SER OG   O  N N 311 
SER OXT  O  N N 312 
SER H    H  N N 313 
SER H2   H  N N 314 
SER HA   H  N N 315 
SER HB2  H  N N 316 
SER HB3  H  N N 317 
SER HG   H  N N 318 
SER HXT  H  N N 319 
THR N    N  N N 320 
THR CA   C  N S 321 
THR C    C  N N 322 
THR O    O  N N 323 
THR CB   C  N R 324 
THR OG1  O  N N 325 
THR CG2  C  N N 326 
THR OXT  O  N N 327 
THR H    H  N N 328 
THR H2   H  N N 329 
THR HA   H  N N 330 
THR HB   H  N N 331 
THR HG1  H  N N 332 
THR HG21 H  N N 333 
THR HG22 H  N N 334 
THR HG23 H  N N 335 
THR HXT  H  N N 336 
TRP N    N  N N 337 
TRP CA   C  N S 338 
TRP C    C  N N 339 
TRP O    O  N N 340 
TRP CB   C  N N 341 
TRP CG   C  Y N 342 
TRP CD1  C  Y N 343 
TRP CD2  C  Y N 344 
TRP NE1  N  Y N 345 
TRP CE2  C  Y N 346 
TRP CE3  C  Y N 347 
TRP CZ2  C  Y N 348 
TRP CZ3  C  Y N 349 
TRP CH2  C  Y N 350 
TRP OXT  O  N N 351 
TRP H    H  N N 352 
TRP H2   H  N N 353 
TRP HA   H  N N 354 
TRP HB2  H  N N 355 
TRP HB3  H  N N 356 
TRP HD1  H  N N 357 
TRP HE1  H  N N 358 
TRP HE3  H  N N 359 
TRP HZ2  H  N N 360 
TRP HZ3  H  N N 361 
TRP HH2  H  N N 362 
TRP HXT  H  N N 363 
TYR N    N  N N 364 
TYR CA   C  N S 365 
TYR C    C  N N 366 
TYR O    O  N N 367 
TYR CB   C  N N 368 
TYR CG   C  Y N 369 
TYR CD1  C  Y N 370 
TYR CD2  C  Y N 371 
TYR CE1  C  Y N 372 
TYR CE2  C  Y N 373 
TYR CZ   C  Y N 374 
TYR OH   O  N N 375 
TYR OXT  O  N N 376 
TYR H    H  N N 377 
TYR H2   H  N N 378 
TYR HA   H  N N 379 
TYR HB2  H  N N 380 
TYR HB3  H  N N 381 
TYR HD1  H  N N 382 
TYR HD2  H  N N 383 
TYR HE1  H  N N 384 
TYR HE2  H  N N 385 
TYR HH   H  N N 386 
TYR HXT  H  N N 387 
VAL N    N  N N 388 
VAL CA   C  N S 389 
VAL C    C  N N 390 
VAL O    O  N N 391 
VAL CB   C  N N 392 
VAL CG1  C  N N 393 
VAL CG2  C  N N 394 
VAL OXT  O  N N 395 
VAL H    H  N N 396 
VAL H2   H  N N 397 
VAL HA   H  N N 398 
VAL HB   H  N N 399 
VAL HG11 H  N N 400 
VAL HG12 H  N N 401 
VAL HG13 H  N N 402 
VAL HG21 H  N N 403 
VAL HG22 H  N N 404 
VAL HG23 H  N N 405 
VAL HXT  H  N N 406 
# 
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 
GOL C1  O1   sing N N 129 
GOL C1  C2   sing N N 130 
GOL C1  H11  sing N N 131 
GOL C1  H12  sing N N 132 
GOL O1  HO1  sing N N 133 
GOL C2  O2   sing N N 134 
GOL C2  C3   sing N N 135 
GOL C2  H2   sing N N 136 
GOL O2  HO2  sing N N 137 
GOL C3  O3   sing N N 138 
GOL C3  H31  sing N N 139 
GOL C3  H32  sing N N 140 
GOL O3  HO3  sing N N 141 
HIS N   CA   sing N N 142 
HIS N   H    sing N N 143 
HIS N   H2   sing N N 144 
HIS CA  C    sing N N 145 
HIS CA  CB   sing N N 146 
HIS CA  HA   sing N N 147 
HIS C   O    doub N N 148 
HIS C   OXT  sing N N 149 
HIS CB  CG   sing N N 150 
HIS CB  HB2  sing N N 151 
HIS CB  HB3  sing N N 152 
HIS CG  ND1  sing Y N 153 
HIS CG  CD2  doub Y N 154 
HIS ND1 CE1  doub Y N 155 
HIS ND1 HD1  sing N N 156 
HIS CD2 NE2  sing Y N 157 
HIS CD2 HD2  sing N N 158 
HIS CE1 NE2  sing Y N 159 
HIS CE1 HE1  sing N N 160 
HIS NE2 HE2  sing N N 161 
HIS OXT HXT  sing N N 162 
HOH O   H1   sing N N 163 
HOH O   H2   sing N N 164 
ILE N   CA   sing N N 165 
ILE N   H    sing N N 166 
ILE N   H2   sing N N 167 
ILE CA  C    sing N N 168 
ILE CA  CB   sing N N 169 
ILE CA  HA   sing N N 170 
ILE C   O    doub N N 171 
ILE C   OXT  sing N N 172 
ILE CB  CG1  sing N N 173 
ILE CB  CG2  sing N N 174 
ILE CB  HB   sing N N 175 
ILE CG1 CD1  sing N N 176 
ILE CG1 HG12 sing N N 177 
ILE CG1 HG13 sing N N 178 
ILE CG2 HG21 sing N N 179 
ILE CG2 HG22 sing N N 180 
ILE CG2 HG23 sing N N 181 
ILE CD1 HD11 sing N N 182 
ILE CD1 HD12 sing N N 183 
ILE CD1 HD13 sing N N 184 
ILE OXT HXT  sing N N 185 
LEU N   CA   sing N N 186 
LEU N   H    sing N N 187 
LEU N   H2   sing N N 188 
LEU CA  C    sing N N 189 
LEU CA  CB   sing N N 190 
LEU CA  HA   sing N N 191 
LEU C   O    doub N N 192 
LEU C   OXT  sing N N 193 
LEU CB  CG   sing N N 194 
LEU CB  HB2  sing N N 195 
LEU CB  HB3  sing N N 196 
LEU CG  CD1  sing N N 197 
LEU CG  CD2  sing N N 198 
LEU CG  HG   sing N N 199 
LEU CD1 HD11 sing N N 200 
LEU CD1 HD12 sing N N 201 
LEU CD1 HD13 sing N N 202 
LEU CD2 HD21 sing N N 203 
LEU CD2 HD22 sing N N 204 
LEU CD2 HD23 sing N N 205 
LEU OXT HXT  sing N N 206 
LYS N   CA   sing N N 207 
LYS N   H    sing N N 208 
LYS N   H2   sing N N 209 
LYS CA  C    sing N N 210 
LYS CA  CB   sing N N 211 
LYS CA  HA   sing N N 212 
LYS C   O    doub N N 213 
LYS C   OXT  sing N N 214 
LYS CB  CG   sing N N 215 
LYS CB  HB2  sing N N 216 
LYS CB  HB3  sing N N 217 
LYS CG  CD   sing N N 218 
LYS CG  HG2  sing N N 219 
LYS CG  HG3  sing N N 220 
LYS CD  CE   sing N N 221 
LYS CD  HD2  sing N N 222 
LYS CD  HD3  sing N N 223 
LYS CE  NZ   sing N N 224 
LYS CE  HE2  sing N N 225 
LYS CE  HE3  sing N N 226 
LYS NZ  HZ1  sing N N 227 
LYS NZ  HZ2  sing N N 228 
LYS NZ  HZ3  sing N N 229 
LYS OXT HXT  sing N N 230 
MET N   CA   sing N N 231 
MET N   H    sing N N 232 
MET N   H2   sing N N 233 
MET CA  C    sing N N 234 
MET CA  CB   sing N N 235 
MET CA  HA   sing N N 236 
MET C   O    doub N N 237 
MET C   OXT  sing N N 238 
MET CB  CG   sing N N 239 
MET CB  HB2  sing N N 240 
MET CB  HB3  sing N N 241 
MET CG  SD   sing N N 242 
MET CG  HG2  sing N N 243 
MET CG  HG3  sing N N 244 
MET SD  CE   sing N N 245 
MET CE  HE1  sing N N 246 
MET CE  HE2  sing N N 247 
MET CE  HE3  sing N N 248 
MET OXT HXT  sing N N 249 
PHE N   CA   sing N N 250 
PHE N   H    sing N N 251 
PHE N   H2   sing N N 252 
PHE CA  C    sing N N 253 
PHE CA  CB   sing N N 254 
PHE CA  HA   sing N N 255 
PHE C   O    doub N N 256 
PHE C   OXT  sing N N 257 
PHE CB  CG   sing N N 258 
PHE CB  HB2  sing N N 259 
PHE CB  HB3  sing N N 260 
PHE CG  CD1  doub Y N 261 
PHE CG  CD2  sing Y N 262 
PHE CD1 CE1  sing Y N 263 
PHE CD1 HD1  sing N N 264 
PHE CD2 CE2  doub Y N 265 
PHE CD2 HD2  sing N N 266 
PHE CE1 CZ   doub Y N 267 
PHE CE1 HE1  sing N N 268 
PHE CE2 CZ   sing Y N 269 
PHE CE2 HE2  sing N N 270 
PHE CZ  HZ   sing N N 271 
PHE OXT HXT  sing N N 272 
PRO N   CA   sing N N 273 
PRO N   CD   sing N N 274 
PRO N   H    sing N N 275 
PRO CA  C    sing N N 276 
PRO CA  CB   sing N N 277 
PRO CA  HA   sing N N 278 
PRO C   O    doub N N 279 
PRO C   OXT  sing N N 280 
PRO CB  CG   sing N N 281 
PRO CB  HB2  sing N N 282 
PRO CB  HB3  sing N N 283 
PRO CG  CD   sing N N 284 
PRO CG  HG2  sing N N 285 
PRO CG  HG3  sing N N 286 
PRO CD  HD2  sing N N 287 
PRO CD  HD3  sing N N 288 
PRO OXT HXT  sing N N 289 
SER N   CA   sing N N 290 
SER N   H    sing N N 291 
SER N   H2   sing N N 292 
SER CA  C    sing N N 293 
SER CA  CB   sing N N 294 
SER CA  HA   sing N N 295 
SER C   O    doub N N 296 
SER C   OXT  sing N N 297 
SER CB  OG   sing N N 298 
SER CB  HB2  sing N N 299 
SER CB  HB3  sing N N 300 
SER OG  HG   sing N N 301 
SER OXT HXT  sing N N 302 
THR N   CA   sing N N 303 
THR N   H    sing N N 304 
THR N   H2   sing N N 305 
THR CA  C    sing N N 306 
THR CA  CB   sing N N 307 
THR CA  HA   sing N N 308 
THR C   O    doub N N 309 
THR C   OXT  sing N N 310 
THR CB  OG1  sing N N 311 
THR CB  CG2  sing N N 312 
THR CB  HB   sing N N 313 
THR OG1 HG1  sing N N 314 
THR CG2 HG21 sing N N 315 
THR CG2 HG22 sing N N 316 
THR CG2 HG23 sing N N 317 
THR OXT HXT  sing N N 318 
TRP N   CA   sing N N 319 
TRP N   H    sing N N 320 
TRP N   H2   sing N N 321 
TRP CA  C    sing N N 322 
TRP CA  CB   sing N N 323 
TRP CA  HA   sing N N 324 
TRP C   O    doub N N 325 
TRP C   OXT  sing N N 326 
TRP CB  CG   sing N N 327 
TRP CB  HB2  sing N N 328 
TRP CB  HB3  sing N N 329 
TRP CG  CD1  doub Y N 330 
TRP CG  CD2  sing Y N 331 
TRP CD1 NE1  sing Y N 332 
TRP CD1 HD1  sing N N 333 
TRP CD2 CE2  doub Y N 334 
TRP CD2 CE3  sing Y N 335 
TRP NE1 CE2  sing Y N 336 
TRP NE1 HE1  sing N N 337 
TRP CE2 CZ2  sing Y N 338 
TRP CE3 CZ3  doub Y N 339 
TRP CE3 HE3  sing N N 340 
TRP CZ2 CH2  doub Y N 341 
TRP CZ2 HZ2  sing N N 342 
TRP CZ3 CH2  sing Y N 343 
TRP CZ3 HZ3  sing N N 344 
TRP CH2 HH2  sing N N 345 
TRP OXT HXT  sing N N 346 
TYR N   CA   sing N N 347 
TYR N   H    sing N N 348 
TYR N   H2   sing N N 349 
TYR CA  C    sing N N 350 
TYR CA  CB   sing N N 351 
TYR CA  HA   sing N N 352 
TYR C   O    doub N N 353 
TYR C   OXT  sing N N 354 
TYR CB  CG   sing N N 355 
TYR CB  HB2  sing N N 356 
TYR CB  HB3  sing N N 357 
TYR CG  CD1  doub Y N 358 
TYR CG  CD2  sing Y N 359 
TYR CD1 CE1  sing Y N 360 
TYR CD1 HD1  sing N N 361 
TYR CD2 CE2  doub Y N 362 
TYR CD2 HD2  sing N N 363 
TYR CE1 CZ   doub Y N 364 
TYR CE1 HE1  sing N N 365 
TYR CE2 CZ   sing Y N 366 
TYR CE2 HE2  sing N N 367 
TYR CZ  OH   sing N N 368 
TYR OH  HH   sing N N 369 
TYR OXT HXT  sing N N 370 
VAL N   CA   sing N N 371 
VAL N   H    sing N N 372 
VAL N   H2   sing N N 373 
VAL CA  C    sing N N 374 
VAL CA  CB   sing N N 375 
VAL CA  HA   sing N N 376 
VAL C   O    doub N N 377 
VAL C   OXT  sing N N 378 
VAL CB  CG1  sing N N 379 
VAL CB  CG2  sing N N 380 
VAL CB  HB   sing N N 381 
VAL CG1 HG11 sing N N 382 
VAL CG1 HG12 sing N N 383 
VAL CG1 HG13 sing N N 384 
VAL CG2 HG21 sing N N 385 
VAL CG2 HG22 sing N N 386 
VAL CG2 HG23 sing N N 387 
VAL OXT HXT  sing N N 388 
# 
loop_
_pdbx_audit_support.funding_organization 
_pdbx_audit_support.country 
_pdbx_audit_support.grant_number 
_pdbx_audit_support.ordinal 
'National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)' 'United States' GM58670          1 
'Department of Defense (DOD, United States)'                                               'United States' W81XWH-17-1-0429 2 
# 
_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   1ZKZ 
_pdbx_initial_refinement_model.details          ? 
# 
_pdbx_serial_crystallography_sample_delivery.diffrn_id     1 
_pdbx_serial_crystallography_sample_delivery.description   ? 
_pdbx_serial_crystallography_sample_delivery.method        'fixed target' 
# 
_space_group.name_H-M_alt     'I 41 2 2' 
_space_group.name_Hall        'I 4bw 2bw' 
_space_group.IT_number        98 
_space_group.crystal_system   tetragonal 
_space_group.id               1 
# 
_atom_sites.entry_id                    9DPS 
_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]   0.014129 
_atom_sites.fract_transf_matrix[1][2]   0.000000 
_atom_sites.fract_transf_matrix[1][3]   0.000000 
_atom_sites.fract_transf_matrix[2][1]   0.000000 
_atom_sites.fract_transf_matrix[2][2]   0.014129 
_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]   0.006872 
_atom_sites.fract_transf_vector[1]      0.00000 
_atom_sites.fract_transf_vector[2]      0.00000 
_atom_sites.fract_transf_vector[3]      0.00000 
_atom_sites.solution_primary            ? 
_atom_sites.solution_secondary          ? 
_atom_sites.solution_hydrogens          ? 
_atom_sites.special_details             ? 
# 
loop_
_atom_type.symbol 
_atom_type.scat_dispersion_real 
_atom_type.scat_dispersion_imag 
_atom_type.scat_Cromer_Mann_a1 
_atom_type.scat_Cromer_Mann_a2 
_atom_type.scat_Cromer_Mann_a3 
_atom_type.scat_Cromer_Mann_a4 
_atom_type.scat_Cromer_Mann_b1 
_atom_type.scat_Cromer_Mann_b2 
_atom_type.scat_Cromer_Mann_b3 
_atom_type.scat_Cromer_Mann_b4 
_atom_type.scat_Cromer_Mann_c 
_atom_type.scat_source 
_atom_type.scat_dispersion_source 
C  ? ? 3.54356 2.42580 ? ? 25.62398 1.50364  ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
CL ? ? 9.50761 7.44341 ? ? 1.04373  23.83732 ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
H  ? ? ?       ?       ? ? ?        ?        ? ? ?   ? ? 
N  ? ? 4.01032 2.96436 ? ? 19.97189 1.75589  ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
NA ? ? 9.38062 1.54875 ? ? 3.38349  72.32734 ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
O  ? ? 4.49882 3.47563 ? ? 15.80542 1.70748  ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
S  ? ? 9.55732 6.39887 ? ? 1.23737  29.19336 ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
# 
loop_
_atom_site.group_PDB 
_atom_site.id 
_atom_site.type_symbol 
_atom_site.label_atom_id 
_atom_site.label_alt_id 
_atom_site.label_comp_id 
_atom_site.label_asym_id 
_atom_site.label_entity_id 
_atom_site.label_seq_id 
_atom_site.pdbx_PDB_ins_code 
_atom_site.Cartn_x 
_atom_site.Cartn_y 
_atom_site.Cartn_z 
_atom_site.occupancy 
_atom_site.B_iso_or_equiv 
_atom_site.pdbx_formal_charge 
_atom_site.auth_seq_id 
_atom_site.auth_comp_id 
_atom_site.auth_asym_id 
_atom_site.auth_atom_id 
_atom_site.pdbx_PDB_model_num 
ATOM   1    N  N    . SER A 1 6   ? -4.13600  -15.92000 -27.02100 1.000 85.51360  ? 325 SER A N    1 
ATOM   2    C  CA   . SER A 1 6   ? -5.37200  -15.09200 -26.99200 1.000 91.22178  ? 325 SER A CA   1 
ATOM   3    C  C    . SER A 1 6   ? -6.63200  -15.96100 -27.07200 1.000 87.64023  ? 325 SER A C    1 
ATOM   4    O  O    . SER A 1 6   ? -7.73300  -15.37600 -27.09900 1.000 86.90873  ? 325 SER A O    1 
ATOM   5    C  CB   . SER A 1 6   ? -5.35500  -14.11300 -28.12500 1.000 94.15646  ? 325 SER A CB   1 
ATOM   6    O  OG   . SER A 1 6   ? -5.35400  -14.81300 -29.35800 1.000 92.99095  ? 325 SER A OG   1 
ATOM   7    H  HA   . SER A 1 6   ? -5.39200  -14.61400 -26.14800 1.000 109.53367 ? 325 SER A HA   1 
ATOM   8    H  HB2  . SER A 1 6   ? -6.12900  -13.53100 -28.07300 1.000 113.05529 ? 325 SER A HB2  1 
ATOM   9    H  HB3  . SER A 1 6   ? -4.57000  -13.54700 -28.06300 1.000 113.05529 ? 325 SER A HB3  1 
ATOM   10   H  HG   . SER A 1 6   ? -5.05700  -15.59000 -29.23900 1.000 111.65667 ? 325 SER A HG   1 
ATOM   11   N  N    A HIS A 1 7   ? -6.49300  -17.26000 -26.79100 0.670 62.73974  ? 326 HIS A N    1 
ATOM   12   N  N    B HIS A 1 7   ? -6.49500  -17.25600 -26.77300 0.330 60.95036  ? 326 HIS A N    1 
ATOM   13   C  CA   A HIS A 1 7   ? -7.66100  -18.18400 -26.85500 0.670 67.44956  ? 326 HIS A CA   1 
ATOM   14   C  CA   B HIS A 1 7   ? -7.65200  -18.19100 -26.85000 0.330 61.66450  ? 326 HIS A CA   1 
ATOM   15   C  C    A HIS A 1 7   ? -7.71900  -19.02100 -25.57100 0.670 54.60537  ? 326 HIS A C    1 
ATOM   16   C  C    B HIS A 1 7   ? -7.79300  -18.92400 -25.51400 0.330 53.52910  ? 326 HIS A C    1 
ATOM   17   O  O    A HIS A 1 7   ? -6.91400  -18.76400 -24.65700 0.670 56.77612  ? 326 HIS A O    1 
ATOM   18   O  O    B HIS A 1 7   ? -6.87800  -18.81900 -24.67800 0.330 52.46272  ? 326 HIS A O    1 
ATOM   19   C  CB   A HIS A 1 7   ? -7.60900  -19.02100 -28.14200 0.670 64.44940  ? 326 HIS A CB   1 
ATOM   20   C  CB   B HIS A 1 7   ? -7.43900  -19.18900 -27.98900 0.330 57.18004  ? 326 HIS A CB   1 
ATOM   21   C  CG   A HIS A 1 7   ? -8.23200  -18.38100 -29.34700 0.670 63.21303  ? 326 HIS A CG   1 
ATOM   22   C  CG   B HIS A 1 7   ? -6.32500  -20.14200 -27.71600 0.330 55.42619  ? 326 HIS A CG   1 
ATOM   23   N  ND1  A HIS A 1 7   ? -7.48300  -17.88900 -30.39600 0.670 74.49152  ? 326 HIS A ND1  1 
ATOM   24   N  ND1  B HIS A 1 7   ? -5.01400  -19.74500 -27.55500 0.330 57.24624  ? 326 HIS A ND1  1 
ATOM   25   C  CD2  A HIS A 1 7   ? -9.51500  -18.16900 -29.68500 0.670 64.25766  ? 326 HIS A CD2  1 
ATOM   26   C  CD2  B HIS A 1 7   ? -6.33300  -21.46900 -27.55800 0.330 52.64060  ? 326 HIS A CD2  1 
ATOM   27   C  CE1  A HIS A 1 7   ? -8.29500  -17.39600 -31.32300 0.670 73.35073  ? 326 HIS A CE1  1 
ATOM   28   C  CE1  B HIS A 1 7   ? -4.26500  -20.81000 -27.31300 0.330 55.57498  ? 326 HIS A CE1  1 
ATOM   29   N  NE2  A HIS A 1 7   ? -9.53600  -17.56100 -30.91700 0.670 70.50280  ? 326 HIS A NE2  1 
ATOM   30   N  NE2  B HIS A 1 7   ? -5.04600  -21.86800 -27.31300 0.330 52.78429  ? 326 HIS A NE2  1 
ATOM   31   H  H    A HIS A 1 7   ? -5.75100  -17.63100 -26.56400 0.670 75.35523  ? 326 HIS A H    1 
ATOM   32   H  H    B HIS A 1 7   ? -5.75600  -17.62000 -26.52600 0.330 73.20796  ? 326 HIS A H    1 
ATOM   33   H  HA   A HIS A 1 7   ? -8.49000  -17.68300 -26.90000 0.670 81.00700  ? 326 HIS A HA   1 
ATOM   34   H  HA   B HIS A 1 7   ? -8.46600  -17.69300 -27.02800 0.330 74.06494  ? 326 HIS A HA   1 
ATOM   35   H  HB2  A HIS A 1 7   ? -6.68100  -19.22100 -28.34300 0.670 77.40681  ? 326 HIS A HB2  1 
ATOM   36   H  HB2  B HIS A 1 7   ? -8.25800  -19.68800 -28.13500 0.330 68.66143  ? 326 HIS A HB2  1 
ATOM   37   H  HB3  A HIS A 1 7   ? -8.05300  -19.86800 -27.97800 0.670 77.40681  ? 326 HIS A HB3  1 
ATOM   38   H  HB3  B HIS A 1 7   ? -7.25200  -18.70400 -28.80800 0.330 68.66143  ? 326 HIS A HB3  1 
ATOM   39   H  HD1  B HIS A 1 7   ? -4.72900  -18.93500 -27.60400 0.330 68.35783  ? 326 HIS A HD1  1 
ATOM   40   H  HD2  A HIS A 1 7   ? -10.25900 -18.39400 -29.17400 0.670 76.77152  ? 326 HIS A HD2  1 
ATOM   41   H  HD2  B HIS A 1 7   ? -7.07900  -22.02200 -27.60600 0.330 62.83106  ? 326 HIS A HD2  1 
ATOM   42   H  HE1  A HIS A 1 7   ? -8.03200  -17.00100 -32.12300 0.670 87.68322  ? 326 HIS A HE1  1 
ATOM   43   H  HE1  B HIS A 1 7   ? -3.34600  -20.81000 -27.16800 0.330 66.35231  ? 326 HIS A HE1  1 
ATOM   44   H  HE2  A HIS A 1 7   ? -10.24100 -17.32800 -31.35000 0.670 84.26569  ? 326 HIS A HE2  1 
ATOM   45   N  N    . CYS A 1 8   ? -8.77700  -19.82200 -25.41400 1.000 56.53927  ? 327 CYS A N    1 
ATOM   46   C  CA   . CYS A 1 8   ? -8.94900  -20.62300 -24.16900 1.000 51.78137  ? 327 CYS A CA   1 
ATOM   47   C  C    . CYS A 1 8   ? -7.69500  -21.46700 -23.90300 1.000 50.39207  ? 327 CYS A C    1 
ATOM   48   O  O    . CYS A 1 8   ? -7.40800  -22.35100 -24.73100 1.000 54.63835  ? 327 CYS A O    1 
ATOM   49   C  CB   . CYS A 1 8   ? -10.15900 -21.53700 -24.30300 1.000 52.16718  ? 327 CYS A CB   1 
ATOM   50   S  SG   . CYS A 1 8   ? -10.65400 -22.31700 -22.74700 1.000 51.98679  ? 327 CYS A SG   1 
ATOM   51   H  H    A CYS A 1 8   ? -9.40100  -19.92300 -25.99700 0.670 67.91466  ? 327 CYS A H    1 
ATOM   52   H  H    B CYS A 1 8   ? -9.34900  -19.98900 -26.03400 0.330 67.91466  ? 327 CYS A H    1 
ATOM   53   H  HA   . CYS A 1 8   ? -9.08500  -20.01500 -23.42500 1.000 62.20517  ? 327 CYS A HA   1 
ATOM   54   H  HB2  . CYS A 1 8   ? -10.90500 -21.02400 -24.65100 1.000 62.66815  ? 327 CYS A HB2  1 
ATOM   55   H  HB3  . CYS A 1 8   ? -9.96200  -22.22800 -24.95400 1.000 62.66815  ? 327 CYS A HB3  1 
ATOM   56   N  N    . GLN A 1 9   ? -6.98900  -21.22300 -22.78800 1.000 44.84243  ? 328 GLN A N    1 
ATOM   57   C  CA   . GLN A 1 9   ? -5.81600  -22.01800 -22.45000 1.000 42.62449  ? 328 GLN A CA   1 
ATOM   58   C  C    . GLN A 1 9   ? -5.59800  -21.99100 -20.94000 1.000 43.62789  ? 328 GLN A C    1 
ATOM   59   O  O    . GLN A 1 9   ? -6.09200  -21.10600 -20.23900 1.000 45.66873  ? 328 GLN A O    1 
ATOM   60   C  CB   . GLN A 1 9   ? -4.60200  -21.47300 -23.20600 1.000 52.91945  ? 328 GLN A CB   1 
ATOM   61   C  CG   . GLN A 1 9   ? -4.18900  -20.08300 -22.76400 1.000 57.58009  ? 328 GLN A CG   1 
ATOM   62   C  CD   . GLN A 1 9   ? -3.61300  -19.26300 -23.89800 1.000 78.07782  ? 328 GLN A CD   1 
ATOM   63   O  OE1  . GLN A 1 9   ? -4.20200  -18.26900 -24.32200 1.000 87.17902  ? 328 GLN A OE1  1 
ATOM   64   N  NE2  . GLN A 1 9   ? -2.45900  -19.68400 -24.40200 1.000 66.42652  ? 328 GLN A NE2  1 
ATOM   65   H  H    . GLN A 1 9   ? -7.17800  -20.60400 -22.22200 1.000 53.87844  ? 328 GLN A H    1 
ATOM   66   H  HA   . GLN A 1 9   ? -5.94700  -22.94200 -22.71500 1.000 51.21692  ? 328 GLN A HA   1 
ATOM   67   H  HB2  . GLN A 1 9   ? -3.85500  -22.07900 -23.08300 1.000 63.57088  ? 328 GLN A HB2  1 
ATOM   68   H  HB3  . GLN A 1 9   ? -4.80100  -21.45700 -24.15500 1.000 63.57088  ? 328 GLN A HB3  1 
ATOM   69   H  HG2  . GLN A 1 9   ? -4.95800  -19.62200 -22.39400 1.000 69.16365  ? 328 GLN A HG2  1 
ATOM   70   H  HG3  . GLN A 1 9   ? -3.53200  -20.15400 -22.05400 1.000 69.16365  ? 328 GLN A HG3  1 
ATOM   71   H  HE21 . GLN A 1 9   ? -2.07800  -20.38400 -24.07800 1.000 79.77936  ? 328 GLN A HE21 1 
ATOM   72   H  HE22 . GLN A 1 9   ? -2.09200  -19.25700 -25.05200 1.000 79.77936  ? 328 GLN A HE22 1 
ATOM   73   N  N    . LYS A 1 10  ? -4.85800  -22.98900 -20.46400 1.000 40.37969  ? 329 LYS A N    1 
ATOM   74   C  CA   . LYS A 1 10  ? -4.48800  -23.12600 -19.06100 1.000 46.20595  ? 329 LYS A CA   1 
ATOM   75   C  C    . LYS A 1 10  ? -3.33500  -22.19600 -18.71200 1.000 48.18994  ? 329 LYS A C    1 
ATOM   76   O  O    . LYS A 1 10  ? -2.35000  -22.12000 -19.44800 1.000 54.44186  ? 329 LYS A O    1 
ATOM   77   C  CB   . LYS A 1 10  ? -4.10900  -24.57300 -18.74700 1.000 44.16482  ? 329 LYS A CB   1 
ATOM   78   C  CG   . LYS A 1 10  ? -3.95000  -24.85400 -17.26100 1.000 52.14678  ? 329 LYS A CG   1 
ATOM   79   C  CD   . LYS A 1 10  ? -3.70900  -26.32900 -16.98500 1.000 35.21074  ? 329 LYS A CD   1 
ATOM   80   C  CE   . LYS A 1 10  ? -2.24900  -26.70100 -17.18300 1.000 37.77067  ? 329 LYS A CE   1 
ATOM   81   N  NZ   . LYS A 1 10  ? -1.97400  -28.09900 -16.75300 1.000 64.05206  ? 329 LYS A NZ   1 
ATOM   82   H  H    . LYS A 1 10  ? -4.55000  -23.62000 -20.96100 1.000 48.52316  ? 329 LYS A H    1 
ATOM   83   H  HA   . LYS A 1 10  ? -5.25600  -22.87900 -18.52200 1.000 55.51468  ? 329 LYS A HA   1 
ATOM   84   H  HB2  . LYS A 1 10  ? -4.78900  -25.16300 -19.10900 1.000 53.06532  ? 329 LYS A HB2  1 
ATOM   85   H  HB3  . LYS A 1 10  ? -3.27800  -24.78700 -19.19900 1.000 53.06532  ? 329 LYS A HB3  1 
ATOM   86   H  HG2  . LYS A 1 10  ? -3.20900  -24.33500 -16.91200 1.000 62.64367  ? 329 LYS A HG2  1 
ATOM   87   H  HG3  . LYS A 1 10  ? -4.74700  -24.56300 -16.79000 1.000 62.64367  ? 329 LYS A HG3  1 
ATOM   88   H  HD2  . LYS A 1 10  ? -3.97700  -26.53700 -16.07600 1.000 42.32042  ? 329 LYS A HD2  1 
ATOM   89   H  HD3  . LYS A 1 10  ? -4.26300  -26.86400 -17.57400 1.000 42.32042  ? 329 LYS A HD3  1 
ATOM   90   H  HE2  . LYS A 1 10  ? -2.01200  -26.59700 -18.11800 1.000 45.39234  ? 329 LYS A HE2  1 
ATOM   91   H  HE3  . LYS A 1 10  ? -1.68800  -26.09100 -16.67900 1.000 45.39234  ? 329 LYS A HE3  1 
ATOM   92   H  HZ1  . LYS A 1 10  ? -1.19000  -28.13200 -16.33400 1.000 76.93001  ? 329 LYS A HZ1  1 
ATOM   93   H  HZ2  . LYS A 1 10  ? -2.61700  -28.37200 -16.20100 1.000 76.93001  ? 329 LYS A HZ2  1 
ATOM   94   H  HZ3  . LYS A 1 10  ? -1.95100  -28.63000 -17.46700 1.000 76.93001  ? 329 LYS A HZ3  1 
ATOM   95   N  N    . THR A 1 11  ? -3.45600  -21.48500 -17.59500 1.000 41.40976  ? 330 THR A N    1 
ATOM   96   C  CA   . THR A 1 11  ? -2.42000  -20.56100 -17.14500 1.000 46.50772  ? 330 THR A CA   1 
ATOM   97   C  C    . THR A 1 11  ? -2.23300  -20.75400 -15.64900 1.000 44.47750  ? 330 THR A C    1 
ATOM   98   O  O    . THR A 1 11  ? -3.01300  -21.44200 -14.99700 1.000 40.52293  ? 330 THR A O    1 
ATOM   99   C  CB   . THR A 1 11  ? -2.77300  -19.09900 -17.45600 1.000 51.98325  ? 330 THR A CB   1 
ATOM   100  O  OG1  . THR A 1 11  ? -3.89800  -18.69600 -16.66300 1.000 58.60658  ? 330 THR A OG1  1 
ATOM   101  C  CG2  . THR A 1 11  ? -3.10200  -18.92100 -18.93200 1.000 79.55028  ? 330 THR A CG2  1 
ATOM   102  H  H    . THR A 1 11  ? -4.14100  -21.52500 -17.07700 1.000 49.75924  ? 330 THR A H    1 
ATOM   103  H  HA   . THR A 1 11  ? -1.59800  -20.75400 -17.62200 1.000 55.87680  ? 330 THR A HA   1 
ATOM   104  H  HB   . THR A 1 11  ? -2.00500  -18.54700 -17.24300 1.000 62.44744  ? 330 THR A HB   1 
ATOM   105  H  HG1  . THR A 1 11  ? -3.86200  -17.86800 -16.52600 1.000 70.39542  ? 330 THR A HG1  1 
ATOM   106  H  HG21 . THR A 1 11  ? -3.32100  -17.99200 -19.10500 1.000 95.52787  ? 330 THR A HG21 1 
ATOM   107  H  HG22 . THR A 1 11  ? -2.33500  -19.17700 -19.46800 1.000 95.52787  ? 330 THR A HG22 1 
ATOM   108  H  HG23 . THR A 1 11  ? -3.85900  -19.48000 -19.16500 1.000 95.52787  ? 330 THR A HG23 1 
ATOM   109  N  N    . SER A 1 12  ? -1.19200  -20.14400 -15.09800 1.000 44.43859  ? 331 SER A N    1 
ATOM   110  C  CA   . SER A 1 12  ? -0.82400  -20.43700 -13.72700 1.000 46.01510  ? 331 SER A CA   1 
ATOM   111  C  C    . SER A 1 12  ? -1.79000  -19.76100 -12.75900 1.000 48.32586  ? 331 SER A C    1 
ATOM   112  O  O    . SER A 1 12  ? -2.30100  -18.67000 -13.02300 1.000 50.22021  ? 331 SER A O    1 
ATOM   113  C  CB   . SER A 1 12  ? 0.60700   -19.97800 -13.44400 1.000 50.98784  ? 331 SER A CB   1 
ATOM   114  O  OG   . SER A 1 12  ? 0.97900   -20.26400 -12.10700 1.000 65.19856  ? 331 SER A OG   1 
ATOM   115  H  H    . SER A 1 12  ? -0.69400  -19.56600 -15.49600 1.000 53.39384  ? 331 SER A H    1 
ATOM   116  H  HA   . SER A 1 12  ? -0.87300  -21.39700 -13.59900 1.000 55.28565  ? 331 SER A HA   1 
ATOM   117  H  HB2  . SER A 1 12  ? 1.21800   -20.41900 -14.05400 1.000 61.25294  ? 331 SER A HB2  1 
ATOM   118  H  HB3  . SER A 1 12  ? 0.68200   -19.02500 -13.60700 1.000 61.25294  ? 331 SER A HB3  1 
ATOM   119  H  HG   . SER A 1 12  ? 0.48600   -20.87200 -11.80300 1.000 78.30581  ? 331 SER A HG   1 
ATOM   120  N  N    . LEU A 1 13  ? -2.04400  -20.42500 -11.63000 1.000 43.56283  ? 332 LEU A N    1 
ATOM   121  C  CA   . LEU A 1 13  ? -2.77900  -19.79200 -10.53200 1.000 43.87175  ? 332 LEU A CA   1 
ATOM   122  C  C    . LEU A 1 13  ? -2.35900  -20.47000 -9.23000  1.000 39.36711  ? 332 LEU A C    1 
ATOM   123  O  O    . LEU A 1 13  ? -2.81600  -21.57500 -8.92100  1.000 44.02523  ? 332 LEU A O    1 
ATOM   124  C  CB   . LEU A 1 13  ? -4.29000  -19.86900 -10.73700 1.000 44.95028  ? 332 LEU A CB   1 
ATOM   125  C  CG   . LEU A 1 13  ? -5.07700  -19.26100 -9.55700  1.000 49.27483  ? 332 LEU A CG   1 
ATOM   126  C  CD1  . LEU A 1 13  ? -4.80200  -17.76500 -9.45300  1.000 52.25131  ? 332 LEU A CD1  1 
ATOM   127  C  CD2  . LEU A 1 13  ? -6.57100  -19.53000 -9.63700  1.000 42.95688  ? 332 LEU A CD2  1 
ATOM   128  H  H    . LEU A 1 13  ? -1.80200  -21.23600 -11.48000 1.000 52.34293  ? 332 LEU A H    1 
ATOM   129  H  HA   . LEU A 1 13  ? -2.56200  -18.84700 -10.50000 1.000 52.71363  ? 332 LEU A HA   1 
ATOM   130  H  HB2  . LEU A 1 13  ? -4.52700  -19.40300 -11.55400 1.000 54.00787  ? 332 LEU A HB2  1 
ATOM   131  H  HB3  . LEU A 1 13  ? -4.55100  -20.79600 -10.85300 1.000 54.00787  ? 332 LEU A HB3  1 
ATOM   132  H  HG   . LEU A 1 13  ? -4.76300  -19.70200 -8.75200  1.000 59.19733  ? 332 LEU A HG   1 
ATOM   133  H  HD11 . LEU A 1 13  ? -5.30200  -17.39500 -8.70900  1.000 62.76911  ? 332 LEU A HD11 1 
ATOM   134  H  HD12 . LEU A 1 13  ? -3.85400  -17.61900 -9.31000  1.000 62.76911  ? 332 LEU A HD12 1 
ATOM   135  H  HD13 . LEU A 1 13  ? -5.07500  -17.32800 -10.27500 1.000 62.76911  ? 332 LEU A HD13 1 
ATOM   136  H  HD21 . LEU A 1 13  ? -7.01400  -19.12700 -8.87400  1.000 51.61579  ? 332 LEU A HD21 1 
ATOM   137  H  HD22 . LEU A 1 13  ? -6.92500  -19.14800 -10.45500 1.000 51.61579  ? 332 LEU A HD22 1 
ATOM   138  H  HD23 . LEU A 1 13  ? -6.72800  -20.48700 -9.63300  1.000 51.61579  ? 332 LEU A HD23 1 
ATOM   139  N  N    . ARG A 1 14  ? -1.51400  -19.78700 -8.46700  1.000 45.31675  ? 333 ARG A N    1 
ATOM   140  C  CA   . ARG A 1 14  ? -1.06000  -20.26700 -7.17300  1.000 44.58169  ? 333 ARG A CA   1 
ATOM   141  C  C    . ARG A 1 14  ? -2.04000  -19.79000 -6.11600  1.000 44.84623  ? 333 ARG A C    1 
ATOM   142  O  O    . ARG A 1 14  ? -2.23100  -18.58500 -5.95400  1.000 48.48988  ? 333 ARG A O    1 
ATOM   143  C  CB   . ARG A 1 14  ? 0.35200   -19.77300 -6.86300  1.000 51.68792  ? 333 ARG A CB   1 
ATOM   144  C  CG   . ARG A 1 14  ? 1.45500   -20.70000 -7.34000  1.000 70.62613  ? 333 ARG A CG   1 
ATOM   145  C  CD   . ARG A 1 14  ? 2.79300   -20.31700 -6.73000  1.000 73.04367  ? 333 ARG A CD   1 
ATOM   146  N  NE   . ARG A 1 14  ? 2.95200   -20.86900 -5.39000  1.000 74.89564  ? 333 ARG A NE   1 
ATOM   147  C  CZ   . ARG A 1 14  ? 3.13100   -22.15600 -5.12400  1.000 77.00742  ? 333 ARG A CZ   1 
ATOM   148  N  NH1  . ARG A 1 14  ? 3.18000   -23.06000 -6.08900  1.000 74.16040  ? 333 ARG A NH1  1 
ATOM   149  N  NH2  . ARG A 1 14  ? 3.26200   -22.54600 -3.85900  1.000 76.39929  ? 333 ARG A NH2  1 
ATOM   150  H  H    . ARG A 1 14  ? -1.18600  -19.02400 -8.69000  1.000 54.44763  ? 333 ARG A H    1 
ATOM   151  H  HA   . ARG A 1 14  ? -1.02600  -21.23600 -7.18100  1.000 53.56556  ? 333 ARG A HA   1 
ATOM   152  H  HB2  . ARG A 1 14  ? 0.47600   -18.90200 -7.27200  1.000 62.09304  ? 333 ARG A HB2  1 
ATOM   153  H  HB3  . ARG A 1 14  ? 0.43800   -19.65100 -5.90500  1.000 62.09304  ? 333 ARG A HB3  1 
ATOM   154  H  HG2  . ARG A 1 14  ? 1.23800   -21.61500 -7.10200  1.000 84.81888  ? 333 ARG A HG2  1 
ATOM   155  H  HG3  . ARG A 1 14  ? 1.51500   -20.66500 -8.30700  1.000 84.81888  ? 333 ARG A HG3  1 
ATOM   156  H  HD2  . ARG A 1 14  ? 3.51100   -20.63500 -7.29900  1.000 87.71994  ? 333 ARG A HD2  1 
ATOM   157  H  HD3  . ARG A 1 14  ? 2.86700   -19.35100 -6.69300  1.000 87.71994  ? 333 ARG A HD3  1 
ATOM   158  H  HE   . ARG A 1 14  ? 2.92800   -20.32300 -4.72600  1.000 89.94230  ? 333 ARG A HE   1 
ATOM   159  H  HH11 . ARG A 1 14  ? 3.09500   -22.81800 -6.91000  1.000 89.06001  ? 333 ARG A HH11 1 
ATOM   160  H  HH12 . ARG A 1 14  ? 3.29700   -23.89000 -5.89500  1.000 89.06001  ? 333 ARG A HH12 1 
ATOM   161  H  HH21 . ARG A 1 14  ? 3.23000   -21.96600 -3.22500  1.000 91.74668  ? 333 ARG A HH21 1 
ATOM   162  H  HH22 . ARG A 1 14  ? 3.37800   -23.37800 -3.67500  1.000 91.74668  ? 333 ARG A HH22 1 
ATOM   163  N  N    . VAL A 1 15  ? -2.65300  -20.73100 -5.40600  1.000 44.69569  ? 334 VAL A N    1 
ATOM   164  C  CA   . VAL A 1 15  ? -3.65700  -20.44600 -4.38400  1.000 41.65754  ? 334 VAL A CA   1 
ATOM   165  C  C    . VAL A 1 15  ? -3.04400  -20.65000 -3.00200  1.000 46.45023  ? 334 VAL A C    1 
ATOM   166  O  O    . VAL A 1 15  ? -2.44600  -21.69900 -2.74000  1.000 40.20394  ? 334 VAL A O    1 
ATOM   167  C  CB   . VAL A 1 15  ? -4.88500  -21.35400 -4.54800  1.000 41.04701  ? 334 VAL A CB   1 
ATOM   168  C  CG1  . VAL A 1 15  ? -5.84300  -21.14500 -3.39700  1.000 45.93270  ? 334 VAL A CG1  1 
ATOM   169  C  CG2  . VAL A 1 15  ? -5.57200  -21.08000 -5.90900  1.000 43.58943  ? 334 VAL A CG2  1 
ATOM   170  H  H    . VAL A 1 15  ? -2.49400  -21.57000 -5.50600  1.000 53.70237  ? 334 VAL A H    1 
ATOM   171  H  HA   . VAL A 1 15  ? -3.94700  -19.52600 -4.48400  1.000 50.05658  ? 334 VAL A HA   1 
ATOM   172  H  HB   . VAL A 1 15  ? -4.60100  -22.28100 -4.53700  1.000 49.32394  ? 334 VAL A HB   1 
ATOM   173  H  HG11 . VAL A 1 15  ? -6.61500  -21.72200 -3.50900  1.000 55.18678  ? 334 VAL A HG11 1 
ATOM   174  H  HG12 . VAL A 1 15  ? -5.39800  -21.35900 -2.56200  1.000 55.18678  ? 334 VAL A HG12 1 
ATOM   175  H  HG13 . VAL A 1 15  ? -6.13200  -20.21900 -3.38000  1.000 55.18678  ? 334 VAL A HG13 1 
ATOM   176  H  HG21 . VAL A 1 15  ? -6.34600  -21.65800 -6.00300  1.000 52.37485  ? 334 VAL A HG21 1 
ATOM   177  H  HG22 . VAL A 1 15  ? -5.85400  -20.15300 -5.94800  1.000 52.37485  ? 334 VAL A HG22 1 
ATOM   178  H  HG23 . VAL A 1 15  ? -4.94700  -21.25800 -6.62900  1.000 52.37485  ? 334 VAL A HG23 1 
ATOM   179  N  N    . ASN A 1 16  ? -3.24500  -19.68000 -2.10500  1.000 44.99063  ? 335 ASN A N    1 
ATOM   180  C  CA   . ASN A 1 16  ? -2.84300  -19.77900 -0.69600  1.000 46.11002  ? 335 ASN A CA   1 
ATOM   181  C  C    . ASN A 1 16  ? -4.06600  -20.04600 0.17800   1.000 46.83170  ? 335 ASN A C    1 
ATOM   182  O  O    . ASN A 1 16  ? -5.05600  -19.30800 0.11300   1.000 49.12468  ? 335 ASN A O    1 
ATOM   183  C  CB   . ASN A 1 16  ? -2.14000  -18.49600 -0.24500  1.000 46.60728  ? 335 ASN A CB   1 
ATOM   184  C  CG   . ASN A 1 16  ? -1.74800  -18.52200 1.22400   1.000 60.81476  ? 335 ASN A CG   1 
ATOM   185  O  OD1  . ASN A 1 16  ? -2.56300  -18.82700 2.09600   1.000 68.27800  ? 335 ASN A OD1  1 
ATOM   186  N  ND2  . ASN A 1 16  ? -0.49100  -18.20200 1.50200   1.000 57.52794  ? 335 ASN A ND2  1 
ATOM   187  H  H    . ASN A 1 16  ? -3.62500  -18.93400 -2.30100  1.000 54.05628  ? 335 ASN A H    1 
ATOM   188  H  HA   . ASN A 1 16  ? -2.22100  -20.51700 -0.60300  1.000 55.39955  ? 335 ASN A HA   1 
ATOM   189  H  HB2  . ASN A 1 16  ? -1.34500  -18.36100 -0.78500  1.000 55.75080  ? 335 ASN A HB2  1 
ATOM   190  H  HB3  . ASN A 1 16  ? -2.72400  -17.73900 -0.40600  1.000 55.75080  ? 335 ASN A HB3  1 
ATOM   191  H  HD21 . ASN A 1 16  ? -0.21700  -18.20200 2.31700   1.000 69.10106  ? 335 ASN A HD21 1 
ATOM   192  H  HD22 . ASN A 1 16  ? 0.05000   -17.99400 0.86700   1.000 69.10106  ? 335 ASN A HD22 1 
ATOM   193  N  N    . PHE A 1 17  ? -3.99100  -21.07900 1.01700   1.000 49.67405  ? 336 PHE A N    1 
ATOM   194  C  CA   . PHE A 1 17  ? -5.19600  -21.53700 1.70100   1.000 54.02192  ? 336 PHE A CA   1 
ATOM   195  C  C    . PHE A 1 17  ? -5.69400  -20.58000 2.77400   1.000 50.99919  ? 336 PHE A C    1 
ATOM   196  O  O    . PHE A 1 17  ? -6.90300  -20.53800 3.03400   1.000 54.85634  ? 336 PHE A O    1 
ATOM   197  C  CB   . PHE A 1 17  ? -4.96200  -22.92600 2.29500   1.000 53.79068  ? 336 PHE A CB   1 
ATOM   198  C  CG   . PHE A 1 17  ? -4.92900  -24.02200 1.26900   1.000 53.00874  ? 336 PHE A CG   1 
ATOM   199  C  CD1  . PHE A 1 17  ? -6.07700  -24.37100 0.57500   1.000 50.07800  ? 336 PHE A CD1  1 
ATOM   200  C  CD2  . PHE A 1 17  ? -3.75500  -24.70400 0.99900   1.000 48.98534  ? 336 PHE A CD2  1 
ATOM   201  C  CE1  . PHE A 1 17  ? -6.05300  -25.37800 -0.37200  1.000 48.56516  ? 336 PHE A CE1  1 
ATOM   202  C  CE2  . PHE A 1 17  ? -3.72500  -25.71400 0.05500   1.000 51.39047  ? 336 PHE A CE2  1 
ATOM   203  C  CZ   . PHE A 1 17  ? -4.87600  -26.05100 -0.63000  1.000 48.88193  ? 336 PHE A CZ   1 
ATOM   204  H  H    . PHE A 1 17  ? -3.27300  -21.51600 1.20000   1.000 59.67639  ? 336 PHE A H    1 
ATOM   205  H  HA   . PHE A 1 17  ? -5.89500  -21.57400 1.03000   1.000 64.89383  ? 336 PHE A HA   1 
ATOM   206  H  HB2  . PHE A 1 17  ? -4.12300  -22.92400 2.78200   1.000 64.61634  ? 336 PHE A HB2  1 
ATOM   207  H  HB3  . PHE A 1 17  ? -5.66300  -23.11700 2.93800   1.000 64.61634  ? 336 PHE A HB3  1 
ATOM   208  H  HD1  . PHE A 1 17  ? -6.87300  -23.92200 0.74800   1.000 60.16114  ? 336 PHE A HD1  1 
ATOM   209  H  HD2  . PHE A 1 17  ? -2.97800  -24.48000 1.45800   1.000 58.84994  ? 336 PHE A HD2  1 
ATOM   210  H  HE1  . PHE A 1 17  ? -6.82800  -25.60100 -0.83400  1.000 58.34573  ? 336 PHE A HE1  1 
ATOM   211  H  HE2  . PHE A 1 17  ? -2.93100  -26.16600 -0.11800  1.000 61.73609  ? 336 PHE A HE2  1 
ATOM   212  H  HZ   . PHE A 1 17  ? -4.85800  -26.73100 -1.26400  1.000 58.72585  ? 336 PHE A HZ   1 
ATOM   213  N  N    . GLU A 1 18  ? -4.80900  -19.82700 3.42300   1.000 54.58424  ? 337 GLU A N    1 
ATOM   214  C  CA   . GLU A 1 18  ? -5.31900  -18.88500 4.40900   1.000 62.78662  ? 337 GLU A CA   1 
ATOM   215  C  C    . GLU A 1 18  ? -5.95900  -17.67900 3.73700   1.000 59.82957  ? 337 GLU A C    1 
ATOM   216  O  O    . GLU A 1 18  ? -6.87300  -17.07300 4.30500   1.000 61.46559  ? 337 GLU A O    1 
ATOM   217  C  CB   . GLU A 1 18  ? -4.19800  -18.44000 5.34900   1.000 69.15721  ? 337 GLU A CB   1 
ATOM   218  C  CG   . GLU A 1 18  ? -3.41500  -17.23100 4.86200   1.000 79.52801  ? 337 GLU A CG   1 
ATOM   219  C  CD   . GLU A 1 18  ? -2.24000  -16.89800 5.76100   1.000 98.84195  ? 337 GLU A CD   1 
ATOM   220  O  OE1  . GLU A 1 18  ? -2.22300  -17.36800 6.91800   1.000 86.61268  ? 337 GLU A OE1  1 
ATOM   221  O  OE2  . GLU A 1 18  ? -1.33500  -16.16400 5.31100   1.000 105.78560 ? 337 GLU A OE2  1 
ATOM   222  H  H    . GLU A 1 18  ? -3.95600  -19.84300 3.31600   1.000 65.56862  ? 337 GLU A H    1 
ATOM   223  H  HA   . GLU A 1 18  ? -6.00300  -19.33500 4.92900   1.000 75.41148  ? 337 GLU A HA   1 
ATOM   224  H  HB2  . GLU A 1 18  ? -4.58000  -18.23600 6.21700   1.000 83.05619  ? 337 GLU A HB2  1 
ATOM   225  H  HB3  . GLU A 1 18  ? -3.58400  -19.18000 5.47600   1.000 83.05619  ? 337 GLU A HB3  1 
ATOM   226  H  HG2  . GLU A 1 18  ? -3.09300  -17.39900 3.96300   1.000 95.50114  ? 337 GLU A HG2  1 
ATOM   227  H  HG3  . GLU A 1 18  ? -4.00700  -16.46500 4.81200   1.000 95.50114  ? 337 GLU A HG3  1 
ATOM   228  N  N    . ASP A 1 19  ? -5.52800  -17.34600 2.51600   1.000 59.51148  ? 338 ASP A N    1 
ATOM   229  C  CA   . ASP A 1 19  ? -6.17700  -16.27400 1.76800   1.000 65.42196  ? 338 ASP A CA   1 
ATOM   230  C  C    . ASP A 1 19  ? -7.63100  -16.60300 1.45300   1.000 60.03301  ? 338 ASP A C    1 
ATOM   231  O  O    . ASP A 1 19  ? -8.45000  -15.69100 1.29500   1.000 60.18044  ? 338 ASP A O    1 
ATOM   232  C  CB   . ASP A 1 19  ? -5.41400  -15.99200 0.47400   1.000 62.45087  ? 338 ASP A CB   1 
ATOM   233  C  CG   . ASP A 1 19  ? -4.10300  -15.28100 0.71800   1.000 75.37150  ? 338 ASP A CG   1 
ATOM   234  O  OD1  . ASP A 1 19  ? -3.81000  -14.96600 1.89100   1.000 76.33830  ? 338 ASP A OD1  1 
ATOM   235  O  OD2  . ASP A 1 19  ? -3.36800  -15.03700 -0.26200  1.000 70.33685  ? 338 ASP A OD2  1 
ATOM   236  H  H    . ASP A 1 19  ? -4.87100  -17.72500 2.11100   1.000 71.48131  ? 338 ASP A H    1 
ATOM   237  H  HA   . ASP A 1 19  ? -6.16600  -15.48200 2.32700   1.000 78.57388  ? 338 ASP A HA   1 
ATOM   238  H  HB2  . ASP A 1 19  ? -5.24400  -16.82900 0.01400   1.000 75.00858  ? 338 ASP A HB2  1 
ATOM   239  H  HB3  . ASP A 1 19  ? -5.96700  -15.45300 -0.11300  1.000 75.00858  ? 338 ASP A HB3  1 
ATOM   240  N  N    . ILE A 1 20  ? -7.97100  -17.88700 1.35100   1.000 54.92118  ? 339 ILE A N    1 
ATOM   241  C  CA   . ILE A 1 20  ? -9.33000  -18.31500 1.04700   1.000 53.80950  ? 339 ILE A CA   1 
ATOM   242  C  C    . ILE A 1 20  ? -10.03300 -18.88300 2.27300   1.000 55.17231  ? 339 ILE A C    1 
ATOM   243  O  O    . ILE A 1 20  ? -11.14500 -19.40900 2.15800   1.000 54.95877  ? 339 ILE A O    1 
ATOM   244  C  CB   . ILE A 1 20  ? -9.35500  -19.32400 -0.11300  1.000 52.39686  ? 339 ILE A CB   1 
ATOM   245  C  CG1  . ILE A 1 20  ? -8.36300  -20.46100 0.14100   1.000 59.56528  ? 339 ILE A CG1  1 
ATOM   246  C  CG2  . ILE A 1 20  ? -9.04800  -18.62800 -1.43000  1.000 51.39166  ? 339 ILE A CG2  1 
ATOM   247  C  CD1  . ILE A 1 20  ? -8.76200  -21.77100 -0.50200  1.000 55.48727  ? 339 ILE A CD1  1 
ATOM   248  H  H    . ILE A 1 20  ? -7.41600  -18.53500 1.45700   1.000 65.97295  ? 339 ILE A H    1 
ATOM   249  H  HA   . ILE A 1 20  ? -9.81900  -17.52500 0.76900   1.000 64.63894  ? 339 ILE A HA   1 
ATOM   250  H  HB   . ILE A 1 20  ? -10.24500 -19.70500 -0.16900  1.000 62.94377  ? 339 ILE A HB   1 
ATOM   251  H  HG12 . ILE A 1 20  ? -7.49100  -20.19900 -0.19200  1.000 71.54587  ? 339 ILE A HG12 1 
ATOM   252  H  HG13 . ILE A 1 20  ? -8.27300  -20.59400 1.09800   1.000 71.54587  ? 339 ILE A HG13 1 
ATOM   253  H  HG21 . ILE A 1 20  ? -9.06700  -19.27600 -2.15100  1.000 61.73752  ? 339 ILE A HG21 1 
ATOM   254  H  HG22 . ILE A 1 20  ? -9.71200  -17.94100 -1.59600  1.000 61.73752  ? 339 ILE A HG22 1 
ATOM   255  H  HG23 . ILE A 1 20  ? -8.16800  -18.22200 -1.38400  1.000 61.73752  ? 339 ILE A HG23 1 
ATOM   256  H  HD11 . ILE A 1 20  ? -8.09400  -22.44600 -0.30300  1.000 66.65226  ? 339 ILE A HD11 1 
ATOM   257  H  HD12 . ILE A 1 20  ? -9.62100  -22.05500 -0.15300  1.000 66.65226  ? 339 ILE A HD12 1 
ATOM   258  H  HD13 . ILE A 1 20  ? -8.82700  -21.65400 -1.46300  1.000 66.65226  ? 339 ILE A HD13 1 
ATOM   259  N  N    . GLY A 1 21  ? -9.41000  -18.79700 3.44700   1.000 57.38141  ? 340 GLY A N    1 
ATOM   260  C  CA   . GLY A 1 21  ? -10.05100 -19.23200 4.67100   1.000 61.81183  ? 340 GLY A CA   1 
ATOM   261  C  C    . GLY A 1 21  ? -10.11900 -20.72700 4.88000   1.000 65.31447  ? 340 GLY A C    1 
ATOM   262  O  O    . GLY A 1 21  ? -10.94800 -21.19000 5.66900   1.000 69.68724  ? 340 GLY A O    1 
ATOM   263  H  H    . GLY A 1 21  ? -8.61400  -18.48800 3.55000   1.000 68.78742  ? 340 GLY A H    1 
ATOM   264  H  HA2  . GLY A 1 21  ? -9.57900  -18.83800 5.42100   1.000 73.83654  ? 340 GLY A HA2  1 
ATOM   265  H  HA3  . GLY A 1 21  ? -10.95400 -18.87800 4.68700   1.000 73.83654  ? 340 GLY A HA3  1 
ATOM   266  N  N    . TRP A 1 22  ? -9.27400  -21.50100 4.20000   1.000 56.41367  ? 341 TRP A N    1 
ATOM   267  C  CA   . TRP A 1 22  ? -9.25000  -22.94700 4.37300   1.000 55.91425  ? 341 TRP A CA   1 
ATOM   268  C  C    . TRP A 1 22  ? -8.15400  -23.42200 5.31800   1.000 63.49796  ? 341 TRP A C    1 
ATOM   269  O  O    . TRP A 1 22  ? -8.13000  -24.60800 5.66300   1.000 59.06114  ? 341 TRP A O    1 
ATOM   270  C  CB   . TRP A 1 22  ? -9.09200  -23.64600 3.01700   1.000 51.35098  ? 341 TRP A CB   1 
ATOM   271  C  CG   . TRP A 1 22  ? -10.36300 -23.71000 2.22700   1.000 53.80628  ? 341 TRP A CG   1 
ATOM   272  C  CD1  . TRP A 1 22  ? -11.50100 -22.98900 2.44500   1.000 54.91042  ? 341 TRP A CD1  1 
ATOM   273  C  CD2  . TRP A 1 22  ? -10.63300 -24.55400 1.10100   1.000 50.59236  ? 341 TRP A CD2  1 
ATOM   274  N  NE1  . TRP A 1 22  ? -12.46000 -23.32500 1.52000   1.000 50.51269  ? 341 TRP A NE1  1 
ATOM   275  C  CE2  . TRP A 1 22  ? -11.95200 -24.28400 0.68400   1.000 51.47068  ? 341 TRP A CE2  1 
ATOM   276  C  CE3  . TRP A 1 22  ? -9.88700  -25.50800 0.40200   1.000 55.43135  ? 341 TRP A CE3  1 
ATOM   277  C  CZ2  . TRP A 1 22  ? -12.54000 -24.93400 -0.40000  1.000 48.22642  ? 341 TRP A CZ2  1 
ATOM   278  C  CZ3  . TRP A 1 22  ? -10.47300 -26.15200 -0.67300  1.000 48.37990  ? 341 TRP A CZ3  1 
ATOM   279  C  CH2  . TRP A 1 22  ? -11.78600 -25.86300 -1.06300  1.000 51.00852  ? 341 TRP A CH2  1 
ATOM   280  H  H    . TRP A 1 22  ? -8.70300  -21.20300 3.63000   1.000 67.35874  ? 341 TRP A H    1 
ATOM   281  H  HA   . TRP A 1 22  ? -10.10000 -23.18400 4.77600   1.000 66.75943  ? 341 TRP A HA   1 
ATOM   282  H  HB2  . TRP A 1 22  ? -8.41900  -23.17900 2.49700   1.000 61.68871  ? 341 TRP A HB2  1 
ATOM   283  H  HB3  . TRP A 1 22  ? -8.76400  -24.54700 3.16200   1.000 61.68871  ? 341 TRP A HB3  1 
ATOM   284  H  HD1  . TRP A 1 22  ? -11.61200 -22.36100 3.12200   1.000 65.96004  ? 341 TRP A HD1  1 
ATOM   285  H  HE1  . TRP A 1 22  ? -13.25000 -22.98800 1.47400   1.000 60.64742  ? 341 TRP A HE1  1 
ATOM   286  H  HE3  . TRP A 1 22  ? -9.01400  -25.70600 0.65500   1.000 66.58515  ? 341 TRP A HE3  1 
ATOM   287  H  HZ2  . TRP A 1 22  ? -13.41200 -24.74300 -0.66200  1.000 57.93924  ? 341 TRP A HZ2  1 
ATOM   288  H  HZ3  . TRP A 1 22  ? -9.98600  -26.78800 -1.14500  1.000 58.12342  ? 341 TRP A HZ3  1 
ATOM   289  H  HH2  . TRP A 1 22  ? -12.15400 -26.31300 -1.78900  1.000 61.27775  ? 341 TRP A HH2  1 
ATOM   290  N  N    . ASP A 1 23  ? -7.26000  -22.52800 5.75200   1.000 59.58204  ? 342 ASP A N    1 
ATOM   291  C  CA   . ASP A 1 23  ? -6.20000  -22.89100 6.68600   1.000 69.03927  ? 342 ASP A CA   1 
ATOM   292  C  C    . ASP A 1 23  ? -6.73300  -23.39100 8.02300   1.000 71.60129  ? 342 ASP A C    1 
ATOM   293  O  O    . ASP A 1 23  ? -5.97000  -23.98000 8.79600   1.000 71.08786  ? 342 ASP A O    1 
ATOM   294  C  CB   . ASP A 1 23  ? -5.28700  -21.69000 6.92700   1.000 65.98220  ? 342 ASP A CB   1 
ATOM   295  C  CG   . ASP A 1 23  ? -6.02000  -20.52200 7.55600   1.000 81.05510  ? 342 ASP A CG   1 
ATOM   296  O  OD1  . ASP A 1 23  ? -7.25700  -20.43700 7.39100   1.000 77.01819  ? 342 ASP A OD1  1 
ATOM   297  O  OD2  . ASP A 1 23  ? -5.35900  -19.69000 8.21300   1.000 95.44487  ? 342 ASP A OD2  1 
ATOM   298  H  H    . ASP A 1 23  ? -7.25400  -21.70200 5.51300   1.000 71.54333  ? 342 ASP A H    1 
ATOM   299  H  HA   . ASP A 1 23  ? -5.70600  -23.62000 6.27900   1.000 82.91466  ? 342 ASP A HA   1 
ATOM   300  H  HB2  . ASP A 1 23  ? -4.55300  -21.95600 7.50300   1.000 79.24617  ? 342 ASP A HB2  1 
ATOM   301  H  HB3  . ASP A 1 23  ? -4.89800  -21.40800 6.08400   1.000 79.24617  ? 342 ASP A HB3  1 
ATOM   302  N  N    . SER A 1 24  ? -8.01400  -23.16500 8.31700   1.000 75.64706  ? 343 SER A N    1 
ATOM   303  C  CA   . SER A 1 24  ? -8.58800  -23.65700 9.56100   1.000 93.90899  ? 343 SER A CA   1 
ATOM   304  C  C    . SER A 1 24  ? -8.73400  -25.17200 9.57100   1.000 90.16890  ? 343 SER A C    1 
ATOM   305  O  O    . SER A 1 24  ? -8.85800  -25.76200 10.64900  1.000 90.77971  ? 343 SER A O    1 
ATOM   306  C  CB   . SER A 1 24  ? -9.94300  -22.99300 9.80600   1.000 94.73731  ? 343 SER A CB   1 
ATOM   307  O  OG   . SER A 1 24  ? -10.72000 -22.96000 8.62000   1.000 92.77231  ? 343 SER A OG   1 
ATOM   308  H  H    . SER A 1 24  ? -8.56000  -22.73300 7.81300   1.000 90.84400  ? 343 SER A H    1 
ATOM   309  H  HA   . SER A 1 24  ? -7.97600  -23.42500 10.27700  1.000 112.75832 ? 343 SER A HA   1 
ATOM   310  H  HB2  . SER A 1 24  ? -10.42300 -23.47600 10.49700  1.000 113.75231 ? 343 SER A HB2  1 
ATOM   311  H  HB3  . SER A 1 24  ? -9.80900  -22.09000 10.13300  1.000 113.75231 ? 343 SER A HB3  1 
ATOM   312  H  HG   . SER A 1 24  ? -11.45900 -22.59300 8.77900   1.000 111.39431 ? 343 SER A HG   1 
ATOM   313  N  N    . TRP A 1 25  ? -8.63600  -25.78600 8.39200   1.000 71.15149  ? 344 TRP A N    1 
ATOM   314  C  CA   . TRP A 1 25  ? -8.82900  -27.25400 8.29400   1.000 78.29819  ? 344 TRP A CA   1 
ATOM   315  C  C    . TRP A 1 25  ? -7.74300  -27.90100 7.42900   1.000 77.07278  ? 344 TRP A C    1 
ATOM   316  O  O    . TRP A 1 25  ? -7.63000  -29.12000 7.47400   1.000 87.99479  ? 344 TRP A O    1 
ATOM   317  C  CB   . TRP A 1 25  ? -10.23900 -27.55600 7.78900   1.000 71.78973  ? 344 TRP A CB   1 
ATOM   318  C  CG   . TRP A 1 25  ? -10.39300 -27.54600 6.30400   1.000 71.50769  ? 344 TRP A CG   1 
ATOM   319  C  CD1  . TRP A 1 25  ? -10.59800 -26.47400 5.48700   1.000 78.62140  ? 344 TRP A CD1  1 
ATOM   320  C  CD2  . TRP A 1 25  ? -10.38700 -28.70100 5.45800   1.000 69.95986  ? 344 TRP A CD2  1 
ATOM   321  N  NE1  . TRP A 1 25  ? -10.70400 -26.88500 4.18600   1.000 73.38481  ? 344 TRP A NE1  1 
ATOM   322  C  CE2  . TRP A 1 25  ? -10.58100 -28.24800 4.13800   1.000 69.71698  ? 344 TRP A CE2  1 
ATOM   323  C  CE3  . TRP A 1 25  ? -10.22500 -30.06600 5.69900   1.000 77.70365  ? 344 TRP A CE3  1 
ATOM   324  C  CZ2  . TRP A 1 25  ? -10.61800 -29.12200 3.05500   1.000 71.68883  ? 344 TRP A CZ2  1 
ATOM   325  C  CZ3  . TRP A 1 25  ? -10.26500 -30.92800 4.62700   1.000 78.63034  ? 344 TRP A CZ3  1 
ATOM   326  C  CH2  . TRP A 1 25  ? -10.45600 -30.46000 3.32700   1.000 80.76234  ? 344 TRP A CH2  1 
ATOM   327  H  H    . TRP A 1 25  ? -8.46300  -25.39100 7.64800   1.000 85.26900  ? 344 TRP A H    1 
ATOM   328  H  HA   . TRP A 1 25  ? -8.74000  -27.64700 9.17600   1.000 94.02537  ? 344 TRP A HA   1 
ATOM   329  H  HB2  . TRP A 1 25  ? -10.50800 -28.42600 8.12300   1.000 86.21521  ? 344 TRP A HB2  1 
ATOM   330  H  HB3  . TRP A 1 25  ? -10.85000 -26.90500 8.16800   1.000 86.21521  ? 344 TRP A HB3  1 
ATOM   331  H  HD1  . TRP A 1 25  ? -10.65700 -25.59100 5.77300   1.000 94.41322  ? 344 TRP A HD1  1 
ATOM   332  H  HE1  . TRP A 1 25  ? -10.82800 -26.37000 3.50800   1.000 88.12931  ? 344 TRP A HE1  1 
ATOM   333  H  HE3  . TRP A 1 25  ? -10.09300 -30.38500 6.56300   1.000 93.31192  ? 344 TRP A HE3  1 
ATOM   334  H  HZ2  . TRP A 1 25  ? -10.74600 -28.81500 2.18700   1.000 86.09413  ? 344 TRP A HZ2  1 
ATOM   335  H  HZ3  . TRP A 1 25  ? -10.16300 -31.84100 4.77200   1.000 94.42394  ? 344 TRP A HZ3  1 
ATOM   336  H  HH2  . TRP A 1 25  ? -10.47400 -31.07000 2.62500   1.000 96.98234  ? 344 TRP A HH2  1 
ATOM   337  N  N    . ILE A 1 26  ? -6.96400  -27.11200 6.69900   1.000 71.08637  ? 345 ILE A N    1 
ATOM   338  C  CA   . ILE A 1 26  ? -5.86700  -27.62300 5.88600   1.000 59.09539  ? 345 ILE A CA   1 
ATOM   339  C  C    . ILE A 1 26  ? -4.56900  -27.21200 6.56600   1.000 62.66393  ? 345 ILE A C    1 
ATOM   340  O  O    . ILE A 1 26  ? -4.17200  -26.04000 6.52500   1.000 63.29713  ? 345 ILE A O    1 
ATOM   341  C  CB   . ILE A 1 26  ? -5.93400  -27.11900 4.43700   1.000 58.20540  ? 345 ILE A CB   1 
ATOM   342  C  CG1  . ILE A 1 26  ? -6.87200  -28.00500 3.61700   1.000 55.11529  ? 345 ILE A CG1  1 
ATOM   343  C  CG2  . ILE A 1 26  ? -4.54800  -27.10500 3.80700   1.000 64.50989  ? 345 ILE A CG2  1 
ATOM   344  C  CD1  . ILE A 1 26  ? -7.09200  -27.52500 2.20700   1.000 55.99961  ? 345 ILE A CD1  1 
ATOM   345  H  H    . ILE A 1 26  ? -7.05800  -26.25800 6.66100   1.000 85.37118  ? 345 ILE A H    1 
ATOM   346  H  HA   . ILE A 1 26  ? -5.92500  -28.58900 5.82400   1.000 70.57680  ? 345 ILE A HA   1 
ATOM   347  H  HB   . ILE A 1 26  ? -6.27800  -26.21200 4.44400   1.000 69.91401  ? 345 ILE A HB   1 
ATOM   348  H  HG12 . ILE A 1 26  ? -6.51000  -28.90500 3.59000   1.000 66.20588  ? 345 ILE A HG12 1 
ATOM   349  H  HG13 . ILE A 1 26  ? -7.72900  -28.05700 4.06800   1.000 66.20588  ? 345 ILE A HG13 1 
ATOM   350  H  HG21 . ILE A 1 26  ? -4.61100  -26.78400 2.89400   1.000 77.47941  ? 345 ILE A HG21 1 
ATOM   351  H  HG22 . ILE A 1 26  ? -3.96700  -26.51800 4.31600   1.000 77.47941  ? 345 ILE A HG22 1 
ATOM   352  H  HG23 . ILE A 1 26  ? -4.18200  -28.00300 3.80900   1.000 77.47941  ? 345 ILE A HG23 1 
ATOM   353  H  HD11 . ILE A 1 26  ? -7.69400  -28.13200 1.74900   1.000 67.26707  ? 345 ILE A HD11 1 
ATOM   354  H  HD12 . ILE A 1 26  ? -7.48100  -26.63600 2.22400   1.000 67.26707  ? 345 ILE A HD12 1 
ATOM   355  H  HD13 . ILE A 1 26  ? -6.24300  -27.49700 1.73800   1.000 67.26707  ? 345 ILE A HD13 1 
ATOM   356  N  N    . ILE A 1 27  ? -3.91600  -28.18000 7.21100   1.000 67.38897  ? 346 ILE A N    1 
ATOM   357  C  CA   . ILE A 1 27  ? -2.63300  -27.91800 7.85300   1.000 67.14017  ? 346 ILE A CA   1 
ATOM   358  C  C    . ILE A 1 27  ? -1.54700  -27.72800 6.80700   1.000 63.87959  ? 346 ILE A C    1 
ATOM   359  O  O    . ILE A 1 27  ? -0.69200  -26.84300 6.92800   1.000 64.78333  ? 346 ILE A O    1 
ATOM   360  C  CB   . ILE A 1 27  ? -2.28000  -29.06300 8.81800   1.000 72.33200  ? 346 ILE A CB   1 
ATOM   361  C  CG1  . ILE A 1 27  ? -3.51800  -29.50200 9.60000   1.000 78.89143  ? 346 ILE A CG1  1 
ATOM   362  C  CG2  . ILE A 1 27  ? -1.15900  -28.63900 9.75100   1.000 78.96030  ? 346 ILE A CG2  1 
ATOM   363  C  CD1  . ILE A 1 27  ? -3.32300  -30.78300 10.37000  1.000 81.34133  ? 346 ILE A CD1  1 
ATOM   364  H  H    . ILE A 1 27  ? -4.19800  -28.98900 7.28700   1.000 80.93430  ? 346 ILE A H    1 
ATOM   365  H  HA   . ILE A 1 27  ? -2.69900  -27.09800 8.36700   1.000 80.38197  ? 346 ILE A HA   1 
ATOM   366  H  HB   . ILE A 1 27  ? -1.96900  -29.82400 8.30300   1.000 86.46074  ? 346 ILE A HB   1 
ATOM   367  H  HG12 . ILE A 1 27  ? -3.76800  -28.79700 10.21800  1.000 94.73725  ? 346 ILE A HG12 1 
ATOM   368  H  HG13 . ILE A 1 27  ? -4.25800  -29.61400 8.98300   1.000 94.73725  ? 346 ILE A HG13 1 
ATOM   369  H  HG21 . ILE A 1 27  ? -0.94600  -29.36900 10.35400  1.000 94.81989  ? 346 ILE A HG21 1 
ATOM   370  H  HG22 . ILE A 1 27  ? -0.37300  -28.41000 9.23000   1.000 94.81989  ? 346 ILE A HG22 1 
ATOM   371  H  HG23 . ILE A 1 27  ? -1.44100  -27.86700 10.26600  1.000 94.81989  ? 346 ILE A HG23 1 
ATOM   372  H  HD11 . ILE A 1 27  ? -4.14100  -31.00500 10.84200  1.000 97.27193  ? 346 ILE A HD11 1 
ATOM   373  H  HD12 . ILE A 1 27  ? -3.10000  -31.50000 9.75500   1.000 97.27193  ? 346 ILE A HD12 1 
ATOM   374  H  HD13 . ILE A 1 27  ? -2.60200  -30.67000 11.00900  1.000 97.27193  ? 346 ILE A HD13 1 
ATOM   375  N  N    . ALA A 1 28  ? -1.56000  -28.55900 5.76700   1.000 60.45076  ? 347 ALA A N    1 
ATOM   376  C  CA   . ALA A 1 28  ? -0.52100  -28.54600 4.75000   1.000 60.65715  ? 347 ALA A CA   1 
ATOM   377  C  C    . ALA A 1 28  ? -1.10100  -29.12200 3.47000   1.000 55.71241  ? 347 ALA A C    1 
ATOM   378  O  O    . ALA A 1 28  ? -1.93600  -30.03300 3.52600   1.000 56.04538  ? 347 ALA A O    1 
ATOM   379  C  CB   . ALA A 1 28  ? 0.70300   -29.35500 5.20200   1.000 63.25996  ? 347 ALA A CB   1 
ATOM   380  H  H    . ALA A 1 28  ? -2.17400  -29.14600 5.63400   1.000 72.60845  ? 347 ALA A H    1 
ATOM   381  H  HA   . ALA A 1 28  ? -0.22300  -27.63500 4.60000   1.000 72.85611  ? 347 ALA A HA   1 
ATOM   382  H  HB1  . ALA A 1 28  ? 1.38100   -29.33200 4.50800   1.000 75.97948  ? 347 ALA A HB1  1 
ATOM   383  H  HB2  . ALA A 1 28  ? 1.06200   -28.97100 6.01700   1.000 75.97948  ? 347 ALA A HB2  1 
ATOM   384  H  HB3  . ALA A 1 28  ? 0.44100   -30.27400 5.36600   1.000 75.97948  ? 347 ALA A HB3  1 
ATOM   385  N  N    . PRO A 1 29  ? -0.68300  -28.62800 2.30800   1.000 53.28561  ? 348 PRO A N    1 
ATOM   386  C  CA   . PRO A 1 29  ? 0.32600   -27.57800 2.07700   1.000 53.39039  ? 348 PRO A CA   1 
ATOM   387  C  C    . PRO A 1 29  ? -0.16500  -26.16200 2.38100   1.000 52.63835  ? 348 PRO A C    1 
ATOM   388  O  O    . PRO A 1 29  ? -1.33900  -25.98100 2.64600   1.000 51.64959  ? 348 PRO A O    1 
ATOM   389  C  CB   . PRO A 1 29  ? 0.63300   -27.72700 0.58800   1.000 52.00702  ? 348 PRO A CB   1 
ATOM   390  C  CG   . PRO A 1 29  ? -0.65900  -28.23100 0.01400   1.000 49.02438  ? 348 PRO A CG   1 
ATOM   391  C  CD   . PRO A 1 29  ? -1.22400  -29.16300 1.04300   1.000 57.79528  ? 348 PRO A CD   1 
ATOM   392  H  HA   . PRO A 1 29  ? 1.09000   -27.68800 2.66500   1.000 64.13600  ? 348 PRO A HA   1 
ATOM   393  H  HB2  . PRO A 1 29  ? 0.89500   -26.88200 0.19100   1.000 62.47595  ? 348 PRO A HB2  1 
ATOM   394  H  HB3  . PRO A 1 29  ? 1.36000   -28.35000 0.43400   1.000 62.47595  ? 348 PRO A HB3  1 
ATOM   395  H  HG2  . PRO A 1 29  ? -1.26900  -27.49900 -0.16600  1.000 58.89679  ? 348 PRO A HG2  1 
ATOM   396  H  HG3  . PRO A 1 29  ? -0.51100  -28.69000 -0.82800  1.000 58.89679  ? 348 PRO A HG3  1 
ATOM   397  H  HD2  . PRO A 1 29  ? -2.19400  -29.15900 1.03700   1.000 69.42187  ? 348 PRO A HD2  1 
ATOM   398  H  HD3  . PRO A 1 29  ? -0.94300  -30.07900 0.89100   1.000 69.42187  ? 348 PRO A HD3  1 
ATOM   399  N  N    . LYS A 1 30  ? 0.72400   -25.16900 2.33800   1.000 53.59994  ? 349 LYS A N    1 
ATOM   400  C  CA   . LYS A 1 30  ? 0.28600   -23.76400 2.56400   1.000 55.82872  ? 349 LYS A CA   1 
ATOM   401  C  C    . LYS A 1 30  ? -0.32400  -23.20900 1.27500   1.000 55.18624  ? 349 LYS A C    1 
ATOM   402  O  O    . LYS A 1 30  ? -1.36700  -22.53000 1.36100   1.000 49.37128  ? 349 LYS A O    1 
ATOM   403  C  CB   . LYS A 1 30  ? 1.46900   -22.90400 3.01500   1.000 58.72298  ? 349 LYS A CB   1 
ATOM   404  C  CG   . LYS A 1 30  ? 1.40200   -22.41400 4.45500   1.000 84.41550  ? 349 LYS A CG   1 
ATOM   405  C  CD   . LYS A 1 30  ? 1.01800   -23.49500 5.44300   1.000 70.49350  ? 349 LYS A CD   1 
ATOM   406  C  CE   . LYS A 1 30  ? 1.06900   -23.01700 6.87900   1.000 87.84296  ? 349 LYS A CE   1 
ATOM   407  N  NZ   . LYS A 1 30  ? 0.85800   -24.12400 7.84200   1.000 88.65999  ? 349 LYS A NZ   1 
ATOM   408  H  H    . LYS A 1 30  ? 1.56400   -25.27000 2.18500   1.000 64.38746  ? 349 LYS A H    1 
ATOM   409  H  HA   . LYS A 1 30  ? -0.38400  -23.74500 3.26500   1.000 67.06199  ? 349 LYS A HA   1 
ATOM   410  H  HB2  . LYS A 1 30  ? 2.28500   -23.41600 2.90000   1.000 70.53511  ? 349 LYS A HB2  1 
ATOM   411  H  HB3  . LYS A 1 30  ? 1.53300   -22.13400 2.42900   1.000 70.53511  ? 349 LYS A HB3  1 
ATOM   412  H  HG2  . LYS A 1 30  ? 2.26500   -22.04900 4.70500   1.000 101.36613 ? 349 LYS A HG2  1 
ATOM   413  H  HG3  . LYS A 1 30  ? 0.76000   -21.69000 4.51300   1.000 101.36613 ? 349 LYS A HG3  1 
ATOM   414  H  HD2  . LYS A 1 30  ? 0.12200   -23.80900 5.24200   1.000 84.65973  ? 349 LYS A HD2  1 
ATOM   415  H  HD3  . LYS A 1 30  ? 1.61500   -24.25200 5.33700   1.000 84.65973  ? 349 LYS A HD3  1 
ATOM   416  H  HE2  . LYS A 1 30  ? 1.92800   -22.60100 7.05000   1.000 105.47909 ? 349 LYS A HE2  1 
ATOM   417  H  HE3  . LYS A 1 30  ? 0.39200   -22.33700 7.01700   1.000 105.47909 ? 349 LYS A HE3  1 
ATOM   418  H  HZ1  . LYS A 1 30  ? 0.47100   -23.80800 8.57800   1.000 106.45952 ? 349 LYS A HZ1  1 
ATOM   419  H  HZ2  . LYS A 1 30  ? 0.33400   -24.74200 7.47400   1.000 106.45952 ? 349 LYS A HZ2  1 
ATOM   420  H  HZ3  . LYS A 1 30  ? 1.64200   -24.48800 8.05300   1.000 106.45952 ? 349 LYS A HZ3  1 
ATOM   421  N  N    . GLU A 1 31  ? 0.31100   -23.47700 0.13300   1.000 49.28108  ? 350 GLU A N    1 
ATOM   422  C  CA   . GLU A 1 31  ? -0.15700  -22.98300 -1.17600  1.000 49.22112  ? 350 GLU A CA   1 
ATOM   423  C  C    . GLU A 1 31  ? -0.01600  -24.11600 -2.18500  1.000 48.03404  ? 350 GLU A C    1 
ATOM   424  O  O    . GLU A 1 31  ? 0.78500   -25.02000 -1.93100  1.000 46.93770  ? 350 GLU A O    1 
ATOM   425  C  CB   . GLU A 1 31  ? 0.71000   -21.82700 -1.65900  1.000 53.48865  ? 350 GLU A CB   1 
ATOM   426  C  CG   . GLU A 1 31  ? 0.90100   -20.71500 -0.65000  1.000 78.73626  ? 350 GLU A CG   1 
ATOM   427  C  CD   . GLU A 1 31  ? 1.51300   -19.44500 -1.21500  1.000 78.57234  ? 350 GLU A CD   1 
ATOM   428  O  OE1  . GLU A 1 31  ? 1.90300   -19.45300 -2.39600  1.000 74.67356  ? 350 GLU A OE1  1 
ATOM   429  O  OE2  . GLU A 1 31  ? 1.59800   -18.45100 -0.47100  1.000 82.29406  ? 350 GLU A OE2  1 
ATOM   430  H  H    . GLU A 1 31  ? 1.02700   -23.95100 0.09000   1.000 59.20483  ? 350 GLU A H    1 
ATOM   431  H  HA   . GLU A 1 31  ? -1.07500  -22.68300 -1.09000  1.000 59.13288  ? 350 GLU A HA   1 
ATOM   432  H  HB2  . GLU A 1 31  ? 1.58100   -22.17400 -1.90800  1.000 64.25391  ? 350 GLU A HB2  1 
ATOM   433  H  HB3  . GLU A 1 31  ? 0.31300   -21.45400 -2.46200  1.000 64.25391  ? 350 GLU A HB3  1 
ATOM   434  H  HG2  . GLU A 1 31  ? 0.04000   -20.49900 -0.25800  1.000 94.55104  ? 350 GLU A HG2  1 
ATOM   435  H  HG3  . GLU A 1 31  ? 1.46600   -21.04000 0.06900   1.000 94.55104  ? 350 GLU A HG3  1 
ATOM   436  N  N    . TYR A 1 32  ? -0.78700  -24.07800 -3.26500  1.000 43.07985  ? 351 TYR A N    1 
ATOM   437  C  CA   . TYR A 1 32  ? -0.61400  -25.05300 -4.33300  1.000 41.18529  ? 351 TYR A CA   1 
ATOM   438  C  C    . TYR A 1 32  ? -0.90900  -24.38300 -5.66700  1.000 41.30603  ? 351 TYR A C    1 
ATOM   439  O  O    . TYR A 1 32  ? -1.43600  -23.26800 -5.73000  1.000 39.79743  ? 351 TYR A O    1 
ATOM   440  C  CB   . TYR A 1 32  ? -1.47800  -26.29400 -4.11300  1.000 39.63836  ? 351 TYR A CB   1 
ATOM   441  C  CG   . TYR A 1 32  ? -2.91300  -26.15000 -4.53000  1.000 36.75281  ? 351 TYR A CG   1 
ATOM   442  C  CD1  . TYR A 1 32  ? -3.77700  -25.33200 -3.81700  1.000 42.08960  ? 351 TYR A CD1  1 
ATOM   443  C  CD2  . TYR A 1 32  ? -3.39800  -26.81000 -5.66100  1.000 37.22919  ? 351 TYR A CD2  1 
ATOM   444  C  CE1  . TYR A 1 32  ? -5.08000  -25.19900 -4.17800  1.000 44.97921  ? 351 TYR A CE1  1 
ATOM   445  C  CE2  . TYR A 1 32  ? -4.70000  -26.68600 -6.04000  1.000 32.56333  ? 351 TYR A CE2  1 
ATOM   446  C  CZ   . TYR A 1 32  ? -5.54600  -25.87200 -5.29500  1.000 37.18493  ? 351 TYR A CZ   1 
ATOM   447  O  OH   . TYR A 1 32  ? -6.85900  -25.74000 -5.64500  1.000 34.26486  ? 351 TYR A OH   1 
ATOM   448  H  H    . TYR A 1 32  ? -1.41100  -23.50100 -3.39800  1.000 51.76336  ? 351 TYR A H    1 
ATOM   449  H  HA   . TYR A 1 32  ? 0.30500   -25.36400 -4.33400  1.000 49.48988  ? 351 TYR A HA   1 
ATOM   450  H  HB2  . TYR A 1 32  ? -1.08600  -27.03500 -4.60100  1.000 47.63357  ? 351 TYR A HB2  1 
ATOM   451  H  HB3  . TYR A 1 32  ? -1.45100  -26.52800 -3.17200  1.000 47.63357  ? 351 TYR A HB3  1 
ATOM   452  H  HD1  . TYR A 1 32  ? -3.45800  -24.86600 -3.07800  1.000 50.57506  ? 351 TYR A HD1  1 
ATOM   453  H  HD2  . TYR A 1 32  ? -2.82300  -27.34200 -6.16300  1.000 44.74256  ? 351 TYR A HD2  1 
ATOM   454  H  HE1  . TYR A 1 32  ? -5.65300  -24.66200 -3.68000  1.000 54.04258  ? 351 TYR A HE1  1 
ATOM   455  H  HE2  . TYR A 1 32  ? -5.01900  -27.13900 -6.78700  1.000 39.14353  ? 351 TYR A HE2  1 
ATOM   456  H  HH   . TYR A 1 32  ? -6.98500  -24.98000 -5.98100  1.000 41.18536  ? 351 TYR A HH   1 
ATOM   457  N  N    . GLU A 1 33  ? -0.51000  -25.06700 -6.73600  1.000 39.37806  ? 352 GLU A N    1 
ATOM   458  C  CA   . GLU A 1 33  ? -0.74600  -24.62100 -8.11000  1.000 38.69117  ? 352 GLU A CA   1 
ATOM   459  C  C    . GLU A 1 33  ? -2.07800  -25.19600 -8.56100  1.000 35.37135  ? 352 GLU A C    1 
ATOM   460  O  O    . GLU A 1 33  ? -2.18800  -26.38600 -8.85400  1.000 35.18949  ? 352 GLU A O    1 
ATOM   461  C  CB   . GLU A 1 33  ? 0.39500   -25.05400 -9.02200  1.000 43.21311  ? 352 GLU A CB   1 
ATOM   462  C  CG   . GLU A 1 33  ? 0.20300   -24.65600 -10.47100 1.000 47.05654  ? 352 GLU A CG   1 
ATOM   463  C  CD   . GLU A 1 33  ? 0.10900   -23.15700 -10.65800 1.000 48.87498  ? 352 GLU A CD   1 
ATOM   464  O  OE1  . GLU A 1 33  ? 1.00200   -22.43800 -10.16200 1.000 59.28836  ? 352 GLU A OE1  1 
ATOM   465  O  OE2  . GLU A 1 33  ? -0.86100  -22.69600 -11.29400 1.000 48.23210  ? 352 GLU A OE2  1 
ATOM   466  H  H    . GLU A 1 33  ? -0.08800  -25.81500 -6.68400  1.000 47.32121  ? 352 GLU A H    1 
ATOM   467  H  HA   . GLU A 1 33  ? -0.77900  -23.65300 -8.15300  1.000 46.49693  ? 352 GLU A HA   1 
ATOM   468  H  HB2  . GLU A 1 33  ? 1.22300   -24.66800 -8.69600  1.000 51.92327  ? 352 GLU A HB2  1 
ATOM   469  H  HB3  . GLU A 1 33  ? 0.49200   -26.01800 -8.97000  1.000 51.92327  ? 352 GLU A HB3  1 
ATOM   470  H  HG2  . GLU A 1 33  ? 0.94300   -24.99800 -10.99700 1.000 56.53538  ? 352 GLU A HG2  1 
ATOM   471  H  HG3  . GLU A 1 33  ? -0.60400  -25.07200 -10.81200 1.000 56.53538  ? 352 GLU A HG3  1 
ATOM   472  N  N    . ALA A 1 34  ? -3.10300  -24.34900 -8.61000  1.000 34.56620  ? 353 ALA A N    1 
ATOM   473  C  CA   . ALA A 1 34  ? -4.42900  -24.76000 -9.05300  1.000 37.13484  ? 353 ALA A CA   1 
ATOM   474  C  C    . ALA A 1 34  ? -4.64400  -24.56600 -10.54500 1.000 31.94509  ? 353 ALA A C    1 
ATOM   475  O  O    . ALA A 1 34  ? -5.57600  -25.14900 -11.10800 1.000 32.24756  ? 353 ALA A O    1 
ATOM   476  C  CB   . ALA A 1 34  ? -5.51000  -23.94400 -8.31900  1.000 33.94618  ? 353 ALA A CB   1 
ATOM   477  H  H    . ALA A 1 34  ? -3.04800  -23.52000 -8.38700  1.000 41.54697  ? 353 ALA A H    1 
ATOM   478  H  HA   . ALA A 1 34  ? -4.49600  -25.70600 -8.85000  1.000 44.62934  ? 353 ALA A HA   1 
ATOM   479  H  HB1  . ALA A 1 34  ? -6.38800  -24.22500 -8.62100  1.000 40.80295  ? 353 ALA A HB1  1 
ATOM   480  H  HB2  . ALA A 1 34  ? -5.43400  -24.09200 -7.36300  1.000 40.80295  ? 353 ALA A HB2  1 
ATOM   481  H  HB3  . ALA A 1 34  ? -5.38900  -23.00100 -8.51000  1.000 40.80295  ? 353 ALA A HB3  1 
ATOM   482  N  N    . TYR A 1 35  ? -3.83900  -23.72400 -11.16000 1.000 34.34002  ? 354 TYR A N    1 
ATOM   483  C  CA   . TYR A 1 35  ? -4.08200  -23.19000 -12.50100 1.000 35.21992  ? 354 TYR A CA   1 
ATOM   484  C  C    . TYR A 1 35  ? -5.47600  -22.58900 -12.64300 1.000 34.92730  ? 354 TYR A C    1 
ATOM   485  O  O    . TYR A 1 35  ? -6.31000  -22.64600 -11.73100 1.000 33.88916  ? 354 TYR A O    1 
ATOM   486  C  CB   . TYR A 1 35  ? -3.87700  -24.26400 -13.58000 1.000 34.88679  ? 354 TYR A CB   1 
ATOM   487  C  CG   . TYR A 1 35  ? -2.51600  -24.92500 -13.53900 1.000 39.27626  ? 354 TYR A CG   1 
ATOM   488  C  CD1  . TYR A 1 35  ? -1.40200  -24.29900 -14.07600 1.000 43.86357  ? 354 TYR A CD1  1 
ATOM   489  C  CD2  . TYR A 1 35  ? -2.35200  -26.17600 -12.96400 1.000 41.85208  ? 354 TYR A CD2  1 
ATOM   490  C  CE1  . TYR A 1 35  ? -0.15700  -24.89700 -14.02800 1.000 56.41057  ? 354 TYR A CE1  1 
ATOM   491  C  CE2  . TYR A 1 35  ? -1.11500  -26.78900 -12.92300 1.000 42.72174  ? 354 TYR A CE2  1 
ATOM   492  C  CZ   . TYR A 1 35  ? -0.02300  -26.14700 -13.45700 1.000 48.43446  ? 354 TYR A CZ   1 
ATOM   493  O  OH   . TYR A 1 35  ? 1.21300   -26.75400 -13.40400 1.000 60.80570  ? 354 TYR A OH   1 
ATOM   494  H  H    . TYR A 1 35  ? -3.11200  -23.43300 -10.80500 1.000 41.27556  ? 354 TYR A H    1 
ATOM   495  H  HA   . TYR A 1 35  ? -3.43200  -22.48200 -12.62900 1.000 42.33144  ? 354 TYR A HA   1 
ATOM   496  H  HB2  . TYR A 1 35  ? -4.56000  -24.94500 -13.47900 1.000 41.93168  ? 354 TYR A HB2  1 
ATOM   497  H  HB3  . TYR A 1 35  ? -4.00500  -23.86100 -14.45300 1.000 41.93168  ? 354 TYR A HB3  1 
ATOM   498  H  HD1  . TYR A 1 35  ? -1.49400  -23.46400 -14.47500 1.000 52.70382  ? 354 TYR A HD1  1 
ATOM   499  H  HD2  . TYR A 1 35  ? -3.08900  -26.61100 -12.59900 1.000 50.29003  ? 354 TYR A HD2  1 
ATOM   500  H  HE1  . TYR A 1 35  ? 0.58600   -24.46000 -14.37800 1.000 67.76022  ? 354 TYR A HE1  1 
ATOM   501  H  HE2  . TYR A 1 35  ? -1.02200  -27.63000 -12.53700 1.000 51.33363  ? 354 TYR A HE2  1 
ATOM   502  H  HH   . TYR A 1 35  ? 1.74500   -26.35200 -13.91400 1.000 73.03437  ? 354 TYR A HH   1 
ATOM   503  N  N    . GLU A 1 36  ? -5.72300  -22.00600 -13.80600 1.000 36.28691  ? 355 GLU A N    1 
ATOM   504  C  CA   . GLU A 1 36  ? -7.02100  -21.48700 -14.20900 1.000 36.77902  ? 355 GLU A CA   1 
ATOM   505  C  C    . GLU A 1 36  ? -7.06200  -21.52700 -15.72300 1.000 39.11691  ? 355 GLU A C    1 
ATOM   506  O  O    . GLU A 1 36  ? -6.02200  -21.61300 -16.37800 1.000 38.48439  ? 355 GLU A O    1 
ATOM   507  C  CB   . GLU A 1 36  ? -7.25300  -20.06200 -13.69500 1.000 41.30264  ? 355 GLU A CB   1 
ATOM   508  C  CG   . GLU A 1 36  ? -6.21500  -19.06300 -14.18100 1.000 49.74216  ? 355 GLU A CG   1 
ATOM   509  C  CD   . GLU A 1 36  ? -6.52600  -17.64300 -13.75700 1.000 57.75638  ? 355 GLU A CD   1 
ATOM   510  O  OE1  . GLU A 1 36  ? -7.61200  -17.41600 -13.18400 1.000 65.63150  ? 355 GLU A OE1  1 
ATOM   511  O  OE2  . GLU A 1 36  ? -5.68500  -16.75200 -13.99800 1.000 65.57430  ? 355 GLU A OE2  1 
ATOM   512  H  H    . GLU A 1 36  ? -5.11600  -21.89700 -14.40600 1.000 43.61183  ? 355 GLU A H    1 
ATOM   513  H  HA   . GLU A 1 36  ? -7.72800  -22.02900 -13.82600 1.000 44.20236  ? 355 GLU A HA   1 
ATOM   514  H  HB2  . GLU A 1 36  ? -8.13300  -19.76500 -13.97500 1.000 49.63070  ? 355 GLU A HB2  1 
ATOM   515  H  HB3  . GLU A 1 36  ? -7.25200  -20.07200 -12.72500 1.000 49.63070  ? 355 GLU A HB3  1 
ATOM   516  H  HG2  . GLU A 1 36  ? -5.34300  -19.31500 -13.83800 1.000 59.75812  ? 355 GLU A HG2  1 
ATOM   517  H  HG3  . GLU A 1 36  ? -6.16100  -19.10300 -15.14900 1.000 59.75812  ? 355 GLU A HG3  1 
ATOM   518  N  N    . CYS A 1 37  ? -8.28200  -21.46100 -16.23300 1.000 37.96726  ? 356 CYS A N    1 
ATOM   519  C  CA   . CYS A 1 37  ? -8.51300  -21.47400 -17.68800 1.000 43.04957  ? 356 CYS A CA   1 
ATOM   520  C  C    . CYS A 1 37  ? -8.85000  -20.05000 -18.10400 1.000 46.53915  ? 356 CYS A C    1 
ATOM   521  O  O    . CYS A 1 37  ? -9.84300  -19.51000 -17.61200 1.000 48.78054  ? 356 CYS A O    1 
ATOM   522  C  CB   . CYS A 1 37  ? -9.65400  -22.42100 -17.99000 1.000 36.64016  ? 356 CYS A CB   1 
ATOM   523  S  SG   . CYS A 1 37  ? -9.18500  -24.12700 -17.67800 1.000 33.54526  ? 356 CYS A SG   1 
ATOM   524  H  H    . CYS A 1 37  ? -8.99800  -21.40800 -15.76000 1.000 45.62824  ? 356 CYS A H    1 
ATOM   525  H  HA   . CYS A 1 37  ? -7.73300  -21.77800 -18.17800 1.000 51.72701  ? 356 CYS A HA   1 
ATOM   526  H  HB2  . CYS A 1 37  ? -10.42200 -22.19000 -17.44500 1.000 44.03572  ? 356 CYS A HB2  1 
ATOM   527  H  HB3  . CYS A 1 37  ? -9.92300  -22.32200 -18.91700 1.000 44.03572  ? 356 CYS A HB3  1 
ATOM   528  N  N    . LYS A 1 38  ? -8.00900  -19.46900 -18.94500 1.000 42.66974  ? 357 LYS A N    1 
ATOM   529  C  CA   . LYS A 1 38  ? -8.20700  -18.06200 -19.35200 1.000 53.95822  ? 357 LYS A CA   1 
ATOM   530  C  C    . LYS A 1 38  ? -8.10300  -17.95700 -20.87400 1.000 53.79855  ? 357 LYS A C    1 
ATOM   531  O  O    . LYS A 1 38  ? -7.39300  -18.75600 -21.49000 1.000 46.36435  ? 357 LYS A O    1 
ATOM   532  C  CB   . LYS A 1 38  ? -7.16000  -17.19000 -18.65800 1.000 59.25246  ? 357 LYS A CB   1 
ATOM   533  C  CG   . LYS A 1 38  ? -7.31800  -15.69400 -18.86300 1.000 79.08278  ? 357 LYS A CG   1 
ATOM   534  C  CD   . LYS A 1 38  ? -6.04200  -14.94500 -18.58400 1.000 81.86459  ? 357 LYS A CD   1 
ATOM   535  C  CE   . LYS A 1 38  ? -5.47800  -15.24600 -17.21300 1.000 82.39938  ? 357 LYS A CE   1 
ATOM   536  N  NZ   . LYS A 1 38  ? -4.30700  -14.39100 -16.91100 1.000 92.74814  ? 357 LYS A NZ   1 
ATOM   537  H  H    . LYS A 1 38  ? -7.32400  -19.85500 -19.29400 1.000 51.27122  ? 357 LYS A H    1 
ATOM   538  H  HA   . LYS A 1 38  ? -9.08700  -17.75100 -19.08800 1.000 64.81739  ? 357 LYS A HA   1 
ATOM   539  H  HB2  . LYS A 1 38  ? -7.18700  -17.37500 -17.70600 1.000 71.17049  ? 357 LYS A HB2  1 
ATOM   540  H  HB3  . LYS A 1 38  ? -6.28100  -17.45300 -18.97400 1.000 71.17049  ? 357 LYS A HB3  1 
ATOM   541  H  HG2  . LYS A 1 38  ? -7.60000  -15.52200 -19.77500 1.000 94.96688  ? 357 LYS A HG2  1 
ATOM   542  H  HG3  . LYS A 1 38  ? -8.02000  -15.36200 -18.28200 1.000 94.96688  ? 357 LYS A HG3  1 
ATOM   543  H  HD2  . LYS A 1 38  ? -5.38300  -15.17300 -19.25800 1.000 98.30504  ? 357 LYS A HD2  1 
ATOM   544  H  HD3  . LYS A 1 38  ? -6.20700  -13.99200 -18.66000 1.000 98.30504  ? 357 LYS A HD3  1 
ATOM   545  H  HE2  . LYS A 1 38  ? -6.16400  -15.10700 -16.54100 1.000 98.94679  ? 357 LYS A HE2  1 
ATOM   546  H  HE3  . LYS A 1 38  ? -5.22000  -16.18000 -17.16500 1.000 98.94679  ? 357 LYS A HE3  1 
ATOM   547  H  HZ1  . LYS A 1 38  ? -4.40600  -14.02600 -16.10500 1.000 111.36530 ? 357 LYS A HZ1  1 
ATOM   548  H  HZ2  . LYS A 1 38  ? -3.56700  -14.88500 -16.92400 1.000 111.36530 ? 357 LYS A HZ2  1 
ATOM   549  H  HZ3  . LYS A 1 38  ? -4.24400  -13.74700 -17.52200 1.000 111.36530 ? 357 LYS A HZ3  1 
ATOM   550  N  N    . GLY A 1 39  ? -8.76100  -16.95900 -21.45000 1.000 57.13230  ? 358 GLY A N    1 
ATOM   551  C  CA   . GLY A 1 39  ? -8.72000  -16.76900 -22.88500 1.000 55.86278  ? 358 GLY A CA   1 
ATOM   552  C  C    . GLY A 1 39  ? -10.11200 -16.63500 -23.45900 1.000 53.36797  ? 358 GLY A C    1 
ATOM   553  O  O    . GLY A 1 39  ? -11.09600 -16.91600 -22.76700 1.000 58.84917  ? 358 GLY A O    1 
ATOM   554  H  H    . GLY A 1 39  ? -9.23600  -16.38200 -21.02400 1.000 68.62629  ? 358 GLY A H    1 
ATOM   555  H  HA2  . GLY A 1 39  ? -8.20300  -15.97500 -23.09400 1.000 67.10287  ? 358 GLY A HA2  1 
ATOM   556  H  HA3  . GLY A 1 39  ? -8.26700  -17.52000 -23.30000 1.000 67.10287  ? 358 GLY A HA3  1 
ATOM   557  N  N    . GLY A 1 40  ? -10.21900 -16.21600 -24.71500 1.000 57.56597  ? 359 GLY A N    1 
ATOM   558  C  CA   . GLY A 1 40  ? -11.53200 -15.96100 -25.30100 1.000 64.30823  ? 359 GLY A CA   1 
ATOM   559  C  C    . GLY A 1 40  ? -12.10000 -17.16200 -26.01400 1.000 48.49708  ? 359 GLY A C    1 
ATOM   560  O  O    . GLY A 1 40  ? -11.33600 -18.11900 -26.37600 1.000 55.54375  ? 359 GLY A O    1 
ATOM   561  H  H    . GLY A 1 40  ? -9.55300  -16.07400 -25.24000 1.000 69.14670  ? 359 GLY A H    1 
ATOM   562  H  HA2  . GLY A 1 40  ? -12.14500 -15.68600 -24.60200 1.000 77.23741  ? 359 GLY A HA2  1 
ATOM   563  H  HA3  . GLY A 1 40  ? -11.46400 -15.22200 -25.92600 1.000 77.23741  ? 359 GLY A HA3  1 
ATOM   564  N  N    . CYS A 1 41  ? -13.41900 -17.20000 -26.05100 1.000 42.78061  ? 360 CYS A N    1 
ATOM   565  C  CA   . CYS A 1 41  ? -14.05800 -18.20600 -26.91500 1.000 45.82055  ? 360 CYS A CA   1 
ATOM   566  C  C    . CYS A 1 41  ? -14.65700 -17.35300 -28.02700 1.000 48.62185  ? 360 CYS A C    1 
ATOM   567  O  O    . CYS A 1 41  ? -15.76100 -16.81200 -27.82600 1.000 60.66777  ? 360 CYS A O    1 
ATOM   568  C  CB   . CYS A 1 41  ? -15.08900 -19.02200 -26.14800 1.000 41.88175  ? 360 CYS A CB   1 
ATOM   569  S  SG   . CYS A 1 41  ? -14.33300 -20.05000 -24.86000 1.000 42.76152  ? 360 CYS A SG   1 
ATOM   570  H  H    . CYS A 1 41  ? -13.95000 -16.68500 -25.61200 1.000 51.40427  ? 360 CYS A H    1 
ATOM   571  H  HA   . CYS A 1 41  ? -13.45100 -18.88000 -27.25900 1.000 55.05219  ? 360 CYS A HA   1 
ATOM   572  H  HB2  . CYS A 1 41  ? -15.73600 -18.42300 -25.74300 1.000 50.32563  ? 360 CYS A HB2  1 
ATOM   573  H  HB3  . CYS A 1 41  ? -15.57600 -19.58900 -26.76700 1.000 50.32563  ? 360 CYS A HB3  1 
ATOM   574  N  N    . PHE A 1 42  ? -13.95300 -17.24700 -29.15600 1.000 40.98602  ? 361 PHE A N    1 
ATOM   575  C  CA   . PHE A 1 42  ? -14.41100 -16.42500 -30.30700 1.000 41.81687  ? 361 PHE A CA   1 
ATOM   576  C  C    . PHE A 1 42  ? -13.82400 -17.05200 -31.56800 1.000 43.49081  ? 361 PHE A C    1 
ATOM   577  O  O    . PHE A 1 42  ? -12.78700 -17.73000 -31.51500 1.000 44.29293  ? 361 PHE A O    1 
ATOM   578  C  CB   . PHE A 1 42  ? -14.02800 -14.93800 -30.22900 1.000 47.89910  ? 361 PHE A CB   1 
ATOM   579  C  CG   . PHE A 1 42  ? -12.56200 -14.63300 -30.03800 1.000 54.82518  ? 361 PHE A CG   1 
ATOM   580  C  CD1  . PHE A 1 42  ? -11.63700 -14.75100 -31.06400 1.000 56.81264  ? 361 PHE A CD1  1 
ATOM   581  C  CD2  . PHE A 1 42  ? -12.11500 -14.25600 -28.78100 1.000 53.71633  ? 361 PHE A CD2  1 
ATOM   582  C  CE1  . PHE A 1 42  ? -10.29700 -14.50500 -30.84100 1.000 54.01629  ? 361 PHE A CE1  1 
ATOM   583  C  CE2  . PHE A 1 42  ? -10.77400 -14.00700 -28.55200 1.000 53.21923  ? 361 PHE A CE2  1 
ATOM   584  C  CZ   . PHE A 1 42  ? -9.86500  -14.13300 -29.58300 1.000 60.32662  ? 361 PHE A CZ   1 
ATOM   585  H  H    . PHE A 1 42  ? -13.20100 -17.64300 -29.28600 1.000 49.25076  ? 361 PHE A H    1 
ATOM   586  H  HA   . PHE A 1 42  ? -15.38100 -16.42800 -30.30500 1.000 50.24778  ? 361 PHE A HA   1 
ATOM   587  H  HB2  . PHE A 1 42  ? -14.32500 -14.50400 -31.04400 1.000 57.54646  ? 361 PHE A HB2  1 
ATOM   588  H  HB3  . PHE A 1 42  ? -14.52100 -14.53500 -29.49700 1.000 57.54646  ? 361 PHE A HB3  1 
ATOM   589  H  HD1  . PHE A 1 42  ? -11.92300 -14.99900 -31.91300 1.000 68.24271  ? 361 PHE A HD1  1 
ATOM   590  H  HD2  . PHE A 1 42  ? -12.72400 -14.17000 -28.08400 1.000 64.52713  ? 361 PHE A HD2  1 
ATOM   591  H  HE1  . PHE A 1 42  ? -9.68600  -14.59000 -31.53700 1.000 64.88709  ? 361 PHE A HE1  1 
ATOM   592  H  HE2  . PHE A 1 42  ? -10.48500 -13.75500 -27.70500 1.000 63.93061  ? 361 PHE A HE2  1 
ATOM   593  H  HZ   . PHE A 1 42  ? -8.96300  -13.96800 -29.43100 1.000 72.45948  ? 361 PHE A HZ   1 
ATOM   594  N  N    . PHE A 1 43  ? -14.48200 -16.82000 -32.68700 1.000 41.36320  ? 362 PHE A N    1 
ATOM   595  C  CA   . PHE A 1 43  ? -14.01500 -17.39200 -33.93700 1.000 43.14126  ? 362 PHE A CA   1 
ATOM   596  C  C    . PHE A 1 43  ? -12.94000 -16.50700 -34.56600 1.000 46.38658  ? 362 PHE A C    1 
ATOM   597  O  O    . PHE A 1 43  ? -13.00200 -15.27800 -34.47100 1.000 45.66671  ? 362 PHE A O    1 
ATOM   598  C  CB   . PHE A 1 43  ? -15.17700 -17.57100 -34.90700 1.000 41.60052  ? 362 PHE A CB   1 
ATOM   599  C  CG   . PHE A 1 43  ? -16.25300 -18.48500 -34.39500 1.000 39.12914  ? 362 PHE A CG   1 
ATOM   600  C  CD1  . PHE A 1 43  ? -16.09100 -19.85900 -34.44300 1.000 42.41953  ? 362 PHE A CD1  1 
ATOM   601  C  CD2  . PHE A 1 43  ? -17.42200 -17.97000 -33.86100 1.000 44.23618  ? 362 PHE A CD2  1 
ATOM   602  C  CE1  . PHE A 1 43  ? -17.07600 -20.70400 -33.96900 1.000 37.63297  ? 362 PHE A CE1  1 
ATOM   603  C  CE2  . PHE A 1 43  ? -18.41100 -18.81100 -33.38800 1.000 43.60166  ? 362 PHE A CE2  1 
ATOM   604  C  CZ   . PHE A 1 43  ? -18.23800 -20.17800 -33.44100 1.000 39.34301  ? 362 PHE A CZ   1 
ATOM   605  H  H    . PHE A 1 43  ? -15.19300 -16.34000 -32.74700 1.000 49.70338  ? 362 PHE A H    1 
ATOM   606  H  HA   . PHE A 1 43  ? -13.62900 -18.26100 -33.74700 1.000 51.83704  ? 362 PHE A HA   1 
ATOM   607  H  HB2  . PHE A 1 43  ? -15.56500 -16.70300 -35.09900 1.000 49.98815  ? 362 PHE A HB2  1 
ATOM   608  H  HB3  . PHE A 1 43  ? -14.83700 -17.92100 -35.74500 1.000 49.98815  ? 362 PHE A HB3  1 
ATOM   609  H  HD1  . PHE A 1 43  ? -15.31000 -20.21700 -34.79800 1.000 50.97097  ? 362 PHE A HD1  1 
ATOM   610  H  HD2  . PHE A 1 43  ? -17.54300 -17.04900 -33.82000 1.000 53.15094  ? 362 PHE A HD2  1 
ATOM   611  H  HE1  . PHE A 1 43  ? -16.95600 -21.62600 -34.00600 1.000 45.22710  ? 362 PHE A HE1  1 
ATOM   612  H  HE2  . PHE A 1 43  ? -19.19400 -18.45500 -33.03400 1.000 52.38953  ? 362 PHE A HE2  1 
ATOM   613  H  HZ   . PHE A 1 43  ? -18.90300 -20.74400 -33.12200 1.000 47.27915  ? 362 PHE A HZ   1 
ATOM   614  N  N    . PRO A 1 44  ? -11.93400 -17.11300 -35.21100 1.000 48.83283  ? 363 PRO A N    1 
ATOM   615  C  CA   . PRO A 1 44  ? -11.73000 -18.55700 -35.40500 1.000 53.23608  ? 363 PRO A CA   1 
ATOM   616  C  C    . PRO A 1 44  ? -11.20200 -19.24100 -34.14700 1.000 55.54478  ? 363 PRO A C    1 
ATOM   617  O  O    . PRO A 1 44  ? -10.34300 -18.70800 -33.45000 1.000 58.60594  ? 363 PRO A O    1 
ATOM   618  C  CB   . PRO A 1 44  ? -10.72000 -18.60100 -36.55700 1.000 54.90007  ? 363 PRO A CB   1 
ATOM   619  C  CG   . PRO A 1 44  ? -9.89400  -17.36400 -36.35400 1.000 61.84774  ? 363 PRO A CG   1 
ATOM   620  C  CD   . PRO A 1 44  ? -10.86000 -16.32100 -35.84100 1.000 53.11566  ? 363 PRO A CD   1 
ATOM   621  H  HA   . PRO A 1 44  ? -12.55100 -19.03500 -35.59900 1.000 63.95083  ? 363 PRO A HA   1 
ATOM   622  H  HB2  . PRO A 1 44  ? -10.17500 -19.40300 -36.52300 1.000 65.54242  ? 363 PRO A HB2  1 
ATOM   623  H  HB3  . PRO A 1 44  ? -11.16300 -18.59600 -37.42000 1.000 65.54242  ? 363 PRO A HB3  1 
ATOM   624  H  HG2  . PRO A 1 44  ? -9.17800  -17.52100 -35.71800 1.000 74.28482  ? 363 PRO A HG2  1 
ATOM   625  H  HG3  . PRO A 1 44  ? -9.47900  -17.08000 -37.18400 1.000 74.28482  ? 363 PRO A HG3  1 
ATOM   626  H  HD2  . PRO A 1 44  ? -10.43600 -15.72600 -35.20300 1.000 63.40112  ? 363 PRO A HD2  1 
ATOM   627  H  HD3  . PRO A 1 44  ? -11.20100 -15.76800 -36.56100 1.000 63.40112  ? 363 PRO A HD3  1 
ATOM   628  N  N    . LEU A 1 45  ? -11.71100 -20.42800 -33.83100 1.000 52.31783  ? 364 LEU A N    1 
ATOM   629  C  CA   . LEU A 1 45  ? -11.29400 -21.14100 -32.63600 1.000 64.32742  ? 364 LEU A CA   1 
ATOM   630  C  C    . LEU A 1 45  ? -9.98200  -21.88200 -32.88100 1.000 73.06531  ? 364 LEU A C    1 
ATOM   631  O  O    . LEU A 1 45  ? -9.50500  -22.01200 -34.01200 1.000 68.20664  ? 364 LEU A O    1 
ATOM   632  C  CB   . LEU A 1 45  ? -12.37900 -22.12000 -32.19100 1.000 58.95490  ? 364 LEU A CB   1 
ATOM   633  C  CG   . LEU A 1 45  ? -13.70200 -21.50700 -31.73100 1.000 57.02908  ? 364 LEU A CG   1 
ATOM   634  C  CD1  . LEU A 1 45  ? -14.75900 -22.58600 -31.55900 1.000 62.61388  ? 364 LEU A CD1  1 
ATOM   635  C  CD2  . LEU A 1 45  ? -13.51500 -20.73300 -30.43400 1.000 52.63573  ? 364 LEU A CD2  1 
ATOM   636  H  H    . LEU A 1 45  ? -12.30300 -20.83800 -34.30100 1.000 62.84893  ? 364 LEU A H    1 
ATOM   637  H  HA   . LEU A 1 45  ? -11.15300 -20.49200 -31.92900 1.000 77.26043  ? 364 LEU A HA   1 
ATOM   638  H  HB2  . LEU A 1 45  ? -12.56400 -22.72400 -32.92700 1.000 70.81341  ? 364 LEU A HB2  1 
ATOM   639  H  HB3  . LEU A 1 45  ? -12.02400 -22.65700 -31.46500 1.000 70.81341  ? 364 LEU A HB3  1 
ATOM   640  H  HG   . LEU A 1 45  ? -14.00300 -20.88800 -32.41400 1.000 68.50243  ? 364 LEU A HG   1 
ATOM   641  H  HD11 . LEU A 1 45  ? -15.59100 -22.18100 -31.26700 1.000 75.20418  ? 364 LEU A HD11 1 
ATOM   642  H  HD12 . LEU A 1 45  ? -14.90000 -23.03900 -32.40500 1.000 75.20418  ? 364 LEU A HD12 1 
ATOM   643  H  HD13 . LEU A 1 45  ? -14.46200 -23.22700 -30.89500 1.000 75.20418  ? 364 LEU A HD13 1 
ATOM   644  H  HD21 . LEU A 1 45  ? -14.36400 -20.35200 -30.15900 1.000 63.23041  ? 364 LEU A HD21 1 
ATOM   645  H  HD22 . LEU A 1 45  ? -13.19100 -21.33200 -29.74300 1.000 63.23041  ? 364 LEU A HD22 1 
ATOM   646  H  HD23 . LEU A 1 45  ? -12.87100 -20.02100 -30.57200 1.000 63.23041  ? 364 LEU A HD23 1 
ATOM   647  N  N    . ALA A 1 46  ? -9.43900  -22.39500 -31.78200 1.000 89.50418  ? 365 ALA A N    1 
ATOM   648  C  CA   . ALA A 1 46  ? -8.17800  -23.14700 -31.88600 1.000 97.24350  ? 365 ALA A CA   1 
ATOM   649  C  C    . ALA A 1 46  ? -8.46400  -24.61500 -32.20600 1.000 105.90701 ? 365 ALA A C    1 
ATOM   650  O  O    . ALA A 1 46  ? -9.63000  -25.04000 -32.21800 1.000 105.45110 ? 365 ALA A O    1 
ATOM   651  C  CB   . ALA A 1 46  ? -7.38100  -22.98300 -30.61800 1.000 96.83239  ? 365 ALA A CB   1 
ATOM   652  H  H    . ALA A 1 46  ? -9.76600  -22.32700 -30.98900 1.000 107.47255 ? 365 ALA A H    1 
ATOM   653  H  HA   . ALA A 1 46  ? -7.64400  -22.79400 -32.61500 1.000 116.75973 ? 365 ALA A HA   1 
ATOM   654  H  HB1  . ALA A 1 46  ? -6.55100  -23.48000 -30.69100 1.000 116.26640 ? 365 ALA A HB1  1 
ATOM   655  H  HB2  . ALA A 1 46  ? -7.18400  -22.04400 -30.47900 1.000 116.26640 ? 365 ALA A HB2  1 
ATOM   656  H  HB3  . ALA A 1 46  ? -7.89400  -23.32000 -29.86700 1.000 116.26640 ? 365 ALA A HB3  1 
ATOM   657  N  N    . ASP A 1 47  ? -7.41900  -25.35800 -32.50100 1.000 110.37084 ? 366 ASP A N    1 
ATOM   658  C  CA   . ASP A 1 47  ? -7.53400  -26.76500 -32.85200 1.000 118.30652 ? 366 ASP A CA   1 
ATOM   659  C  C    . ASP A 1 47  ? -7.73400  -27.66900 -31.63300 1.000 121.30256 ? 366 ASP A C    1 
ATOM   660  O  O    . ASP A 1 47  ? -8.26800  -28.78800 -31.80900 1.000 123.40578 ? 366 ASP A O    1 
ATOM   661  C  CB   . ASP A 1 47  ? -6.27700  -27.21100 -33.59600 1.000 117.26418 ? 366 ASP A CB   1 
ATOM   662  C  CG   . ASP A 1 47  ? -6.34200  -28.66800 -34.01500 1.000 125.75874 ? 366 ASP A CG   1 
ATOM   663  O  OD1  . ASP A 1 47  ? -7.20800  -28.99400 -34.84900 1.000 126.05918 ? 366 ASP A OD1  1 
ATOM   664  O  OD2  . ASP A 1 47  ? -5.52900  -29.46300 -33.50100 1.000 129.08560 ? 366 ASP A OD2  1 
ATOM   665  H  H    . ASP A 1 47  ? -6.61200  -25.06200 -32.50500 1.000 132.51254 ? 366 ASP A H    1 
ATOM   666  H  HA   . ASP A 1 47  ? -8.32000  -26.85100 -33.41300 1.000 142.03536 ? 366 ASP A HA   1 
ATOM   667  H  HB2  . ASP A 1 47  ? -6.15500  -26.65600 -34.38200 1.000 140.78455 ? 366 ASP A HB2  1 
ATOM   668  H  HB3  . ASP A 1 47  ? -5.50200  -27.07400 -33.02900 1.000 140.78455 ? 366 ASP A HB3  1 
ATOM   669  N  N    . ASP A 1 48  ? -7.55200  -27.15600 -30.43000 1.000 100.68838 ? 367 ASP A N    1 
ATOM   670  C  CA   . ASP A 1 48  ? -7.43400  -28.00100 -29.24700 1.000 97.31707  ? 367 ASP A CA   1 
ATOM   671  C  C    . ASP A 1 48  ? -8.34400  -27.56900 -28.10200 1.000 90.32973  ? 367 ASP A C    1 
ATOM   672  O  O    . ASP A 1 48  ? -8.24500  -28.15200 -27.01500 1.000 92.23430  ? 367 ASP A O    1 
ATOM   673  C  CB   . ASP A 1 48  ? -5.98300  -28.03300 -28.75800 1.000 106.20068 ? 367 ASP A CB   1 
ATOM   674  C  CG   . ASP A 1 48  ? -5.45200  -26.65700 -28.40400 1.000 103.63083 ? 367 ASP A CG   1 
ATOM   675  O  OD1  . ASP A 1 48  ? -5.60600  -25.71900 -29.21300 1.000 102.77243 ? 367 ASP A OD1  1 
ATOM   676  O  OD2  . ASP A 1 48  ? -4.83300  -26.53200 -27.32600 1.000 101.99069 ? 367 ASP A OD2  1 
ATOM   677  H  H    . ASP A 1 48  ? -7.49300  -26.31300 -30.27200 1.000 120.89359 ? 367 ASP A H    1 
ATOM   678  H  HA   . ASP A 1 48  ? -7.71800  -28.88700 -29.52000 1.000 116.84802 ? 367 ASP A HA   1 
ATOM   679  H  HB2  . ASP A 1 48  ? -5.92100  -28.60900 -27.98000 1.000 127.50835 ? 367 ASP A HB2  1 
ATOM   680  H  HB3  . ASP A 1 48  ? -5.42300  -28.42400 -29.44600 1.000 127.50835 ? 367 ASP A HB3  1 
ATOM   681  N  N    . VAL A 1 49  ? -9.24800  -26.60500 -28.31400 1.000 86.32425  ? 368 VAL A N    1 
ATOM   682  C  CA   . VAL A 1 49  ? -10.14800 -26.17000 -27.24400 1.000 92.55549  ? 368 VAL A CA   1 
ATOM   683  C  C    . VAL A 1 49  ? -11.33300 -27.10500 -27.03900 1.000 90.66521  ? 368 VAL A C    1 
ATOM   684  O  O    . VAL A 1 49  ? -12.12500 -26.87500 -26.11600 1.000 85.17438  ? 368 VAL A O    1 
ATOM   685  C  CB   . VAL A 1 49  ? -10.66600 -24.73700 -27.50300 1.000 80.02188  ? 368 VAL A CB   1 
ATOM   686  C  CG1  . VAL A 1 49  ? -9.59000  -23.70100 -27.21400 1.000 84.18737  ? 368 VAL A CG1  1 
ATOM   687  C  CG2  . VAL A 1 49  ? -11.16800 -24.63000 -28.91600 1.000 76.60055  ? 368 VAL A CG2  1 
ATOM   688  H  H    . VAL A 1 49  ? -9.35400  -26.19500 -29.06300 1.000 103.65664 ? 368 VAL A H    1 
ATOM   689  H  HA   . VAL A 1 49  ? -9.61800  -26.18700 -26.43200 1.000 111.13412 ? 368 VAL A HA   1 
ATOM   690  H  HB   . VAL A 1 49  ? -11.40200 -24.55500 -26.89800 1.000 96.09379  ? 368 VAL A HB   1 
ATOM   691  H  HG11 . VAL A 1 49  ? -9.94100  -22.81300 -27.38400 1.000 101.09237 ? 368 VAL A HG11 1 
ATOM   692  H  HG12 . VAL A 1 49  ? -9.31700  -23.76800 -26.28500 1.000 101.09237 ? 368 VAL A HG12 1 
ATOM   693  H  HG13 . VAL A 1 49  ? -8.82400  -23.86100 -27.78800 1.000 101.09237 ? 368 VAL A HG13 1 
ATOM   694  H  HG21 . VAL A 1 49  ? -11.49300 -23.73000 -29.07700 1.000 91.98820  ? 368 VAL A HG21 1 
ATOM   695  H  HG22 . VAL A 1 49  ? -10.44500 -24.82800 -29.53200 1.000 91.98820  ? 368 VAL A HG22 1 
ATOM   696  H  HG23 . VAL A 1 49  ? -11.89000 -25.26300 -29.05200 1.000 91.98820  ? 368 VAL A HG23 1 
ATOM   697  N  N    . THR A 1 50  ? -11.47400 -28.16700 -27.85900 1.000 65.64619  ? 369 THR A N    1 
ATOM   698  C  CA   . THR A 1 50  ? -12.57900 -29.13400 -27.81700 1.000 75.71624  ? 369 THR A CA   1 
ATOM   699  C  C    . THR A 1 50  ? -13.98800 -28.54700 -27.72000 1.000 60.37395  ? 369 THR A C    1 
ATOM   700  O  O    . THR A 1 50  ? -14.73800 -28.92600 -26.81000 1.000 73.85090  ? 369 THR A O    1 
ATOM   701  C  CB   . THR A 1 50  ? -12.40700 -30.14500 -26.66800 1.000 90.79354  ? 369 THR A CB   1 
ATOM   702  O  OG1  . THR A 1 50  ? -12.57100 -29.43700 -25.43900 1.000 73.78656  ? 369 THR A OG1  1 
ATOM   703  C  CG2  . THR A 1 50  ? -11.05500 -30.82300 -26.69700 1.000 94.52291  ? 369 THR A CG2  1 
ATOM   704  H  H    . THR A 1 50  ? -10.90300 -28.34500 -28.47700 1.000 78.84296  ? 369 THR A H    1 
ATOM   705  H  HA   . THR A 1 50  ? -12.51500 -29.56300 -28.68500 1.000 90.92702  ? 369 THR A HA   1 
ATOM   706  H  HB   . THR A 1 50  ? -13.07100 -30.84600 -26.76300 1.000 109.01978 ? 369 THR A HB   1 
ATOM   707  H  HG1  . THR A 1 50  ? -13.25800 -28.95600 -25.48200 1.000 88.61141  ? 369 THR A HG1  1 
ATOM   708  H  HG21 . THR A 1 50  ? -10.99100 -31.44900 -25.95900 1.000 113.49502 ? 369 THR A HG21 1 
ATOM   709  H  HG22 . THR A 1 50  ? -10.95000 -31.30000 -27.53500 1.000 113.49502 ? 369 THR A HG22 1 
ATOM   710  H  HG23 . THR A 1 50  ? -10.35600 -30.15500 -26.61600 1.000 113.49502 ? 369 THR A HG23 1 
ATOM   711  N  N    . PRO A 1 51  ? -14.39800 -27.63700 -28.60700 1.000 58.80263  ? 370 PRO A N    1 
ATOM   712  C  CA   . PRO A 1 51  ? -15.65000 -26.90900 -28.39300 1.000 49.96442  ? 370 PRO A CA   1 
ATOM   713  C  C    . PRO A 1 51  ? -16.86400 -27.80600 -28.57200 1.000 50.79533  ? 370 PRO A C    1 
ATOM   714  O  O    . PRO A 1 51  ? -16.93200 -28.61900 -29.49800 1.000 53.47755  ? 370 PRO A O    1 
ATOM   715  C  CB   . PRO A 1 51  ? -15.60100 -25.82000 -29.46900 1.000 51.16834  ? 370 PRO A CB   1 
ATOM   716  C  CG   . PRO A 1 51  ? -14.83700 -26.43800 -30.60400 1.000 54.16447  ? 370 PRO A CG   1 
ATOM   717  C  CD   . PRO A 1 51  ? -13.82000 -27.32700 -29.92800 1.000 67.09690  ? 370 PRO A CD   1 
ATOM   718  H  HA   . PRO A 1 51  ? -15.73200 -26.55800 -27.49200 1.000 60.02484  ? 370 PRO A HA   1 
ATOM   719  H  HB2  . PRO A 1 51  ? -16.49300 -25.55800 -29.74600 1.000 61.46954  ? 370 PRO A HB2  1 
ATOM   720  H  HB3  . PRO A 1 51  ? -15.16000 -25.02100 -29.14100 1.000 61.46954  ? 370 PRO A HB3  1 
ATOM   721  H  HG2  . PRO A 1 51  ? -15.42100 -26.94800 -31.18800 1.000 65.06490  ? 370 PRO A HG2  1 
ATOM   722  H  HG3  . PRO A 1 51  ? -14.40800 -25.76200 -31.15200 1.000 65.06490  ? 370 PRO A HG3  1 
ATOM   723  H  HD2  . PRO A 1 51  ? -13.66400 -28.13500 -30.44100 1.000 80.58382  ? 370 PRO A HD2  1 
ATOM   724  H  HD3  . PRO A 1 51  ? -12.96500 -26.87800 -29.84000 1.000 80.58382  ? 370 PRO A HD3  1 
ATOM   725  N  N    . THR A 1 52  ? -17.83100 -27.65700 -27.66900 1.000 43.60609  ? 371 THR A N    1 
ATOM   726  C  CA   . THR A 1 52  ? -19.09700 -28.39900 -27.83200 1.000 37.46863  ? 371 THR A CA   1 
ATOM   727  C  C    . THR A 1 52  ? -19.88900 -27.72500 -28.94800 1.000 36.49346  ? 371 THR A C    1 
ATOM   728  O  O    . THR A 1 52  ? -19.61700 -26.56100 -29.23700 1.000 33.96752  ? 371 THR A O    1 
ATOM   729  C  CB   . THR A 1 52  ? -19.88200 -28.41000 -26.51700 1.000 37.76668  ? 371 THR A CB   1 
ATOM   730  O  OG1  . THR A 1 52  ? -20.12200 -27.06500 -26.10900 1.000 35.35442  ? 371 THR A OG1  1 
ATOM   731  C  CG2  . THR A 1 52  ? -19.16600 -29.17100 -25.42500 1.000 38.50075  ? 371 THR A CG2  1 
ATOM   732  H  H    . THR A 1 52  ? -17.78600 -27.15100 -26.97500 1.000 52.39484  ? 371 THR A H    1 
ATOM   733  H  HA   . THR A 1 52  ? -18.92500 -29.32400 -28.06600 1.000 45.02989  ? 371 THR A HA   1 
ATOM   734  H  HB   . THR A 1 52  ? -20.72200 -28.86900 -26.67100 1.000 45.38755  ? 371 THR A HB   1 
ATOM   735  H  HG1  . THR A 1 52  ? -20.34800 -27.05300 -25.30000 1.000 42.49284  ? 371 THR A HG1  1 
ATOM   736  H  HG21 . THR A 1 52  ? -19.69800 -29.15100 -24.61400 1.000 46.26843  ? 371 THR A HG21 1 
ATOM   737  H  HG22 . THR A 1 52  ? -19.03600 -30.09100 -25.70300 1.000 46.26843  ? 371 THR A HG22 1 
ATOM   738  H  HG23 . THR A 1 52  ? -18.30400 -28.76000 -25.25500 1.000 46.26843  ? 371 THR A HG23 1 
ATOM   739  N  N    . LYS A 1 53  ? -20.85300 -28.43100 -29.51800 1.000 38.44700  ? 372 LYS A N    1 
ATOM   740  C  CA   . LYS A 1 53  ? -21.69800 -27.81100 -30.53200 1.000 31.56883  ? 372 LYS A CA   1 
ATOM   741  C  C    . LYS A 1 53  ? -22.51500 -26.66500 -29.95200 1.000 31.94267  ? 372 LYS A C    1 
ATOM   742  O  O    . LYS A 1 53  ? -22.76100 -25.66800 -30.64100 1.000 31.88216  ? 372 LYS A O    1 
ATOM   743  C  CB   . LYS A 1 53  ? -22.61700 -28.85200 -31.17100 1.000 33.14517  ? 372 LYS A CB   1 
ATOM   744  C  CG   . LYS A 1 53  ? -21.88400 -29.96900 -31.89700 1.000 41.88183  ? 372 LYS A CG   1 
ATOM   745  C  CD   . LYS A 1 53  ? -22.77000 -30.60400 -32.95600 1.000 44.87373  ? 372 LYS A CD   1 
ATOM   746  C  CE   . LYS A 1 53  ? -22.13700 -31.85700 -33.54000 1.000 51.90314  ? 372 LYS A CE   1 
ATOM   747  N  NZ   . LYS A 1 53  ? -22.17200 -32.99700 -32.58300 1.000 45.44776  ? 372 LYS A NZ   1 
ATOM   748  H  H    . LYS A 1 53  ? -21.03400 -29.25200 -29.33900 1.000 46.20393  ? 372 LYS A H    1 
ATOM   749  H  HA   . LYS A 1 53  ? -21.11700 -27.44400 -31.21700 1.000 37.95012  ? 372 LYS A HA   1 
ATOM   750  H  HB2  . LYS A 1 53  ? -23.17700 -29.24100 -30.48100 1.000 39.84173  ? 372 LYS A HB2  1 
ATOM   751  H  HB3  . LYS A 1 53  ? -23.20800 -28.40600 -31.79800 1.000 39.84173  ? 372 LYS A HB3  1 
ATOM   752  H  HG2  . LYS A 1 53  ? -21.08100 -29.61700 -32.31100 1.000 50.32573  ? 372 LYS A HG2  1 
ATOM   753  H  HG3  . LYS A 1 53  ? -21.60200 -30.64300 -31.25900 1.000 50.32573  ? 372 LYS A HG3  1 
ATOM   754  H  HD2  . LYS A 1 53  ? -23.63000 -30.82700 -32.56800 1.000 53.91601  ? 372 LYS A HD2  1 
ATOM   755  H  HD3  . LYS A 1 53  ? -22.93600 -29.96400 -33.66600 1.000 53.91601  ? 372 LYS A HD3  1 
ATOM   756  H  HE2  . LYS A 1 53  ? -22.60300 -32.10500 -34.35400 1.000 62.35130  ? 372 LYS A HE2  1 
ATOM   757  H  HE3  . LYS A 1 53  ? -21.21700 -31.67000 -33.78500 1.000 62.35130  ? 372 LYS A HE3  1 
ATOM   758  H  HZ1  . LYS A 1 53  ? -21.35800 -33.34900 -32.51000 1.000 54.60485  ? 372 LYS A HZ1  1 
ATOM   759  H  HZ2  . LYS A 1 53  ? -22.44200 -32.70800 -31.78600 1.000 54.60485  ? 372 LYS A HZ2  1 
ATOM   760  H  HZ3  . LYS A 1 53  ? -22.73700 -33.61700 -32.88000 1.000 54.60485  ? 372 LYS A HZ3  1 
ATOM   761  N  N    . HIS A 1 54  ? -22.93400 -26.77800 -28.68900 1.000 27.83504  ? 373 HIS A N    1 
ATOM   762  C  CA   . HIS A 1 54  ? -23.70200 -25.69900 -28.07800 1.000 27.33780  ? 373 HIS A CA   1 
ATOM   763  C  C    . HIS A 1 54  ? -22.83900 -24.46200 -27.86000 1.000 25.85936  ? 373 HIS A C    1 
ATOM   764  O  O    . HIS A 1 54  ? -23.30900 -23.33200 -28.04200 1.000 30.58217  ? 373 HIS A O    1 
ATOM   765  C  CB   . HIS A 1 54  ? -24.31400 -26.16000 -26.75500 1.000 30.09617  ? 373 HIS A CB   1 
ATOM   766  C  CG   . HIS A 1 54  ? -25.28200 -25.18000 -26.17000 1.000 26.32131  ? 373 HIS A CG   1 
ATOM   767  N  ND1  . HIS A 1 54  ? -24.88400 -24.11100 -25.39700 1.000 27.42911  ? 373 HIS A ND1  1 
ATOM   768  C  CD2  . HIS A 1 54  ? -26.63100 -25.09600 -26.26200 1.000 25.42820  ? 373 HIS A CD2  1 
ATOM   769  C  CE1  . HIS A 1 54  ? -25.94600 -23.41500 -25.03200 1.000 28.43804  ? 373 HIS A CE1  1 
ATOM   770  N  NE2  . HIS A 1 54  ? -27.01800 -23.99100 -25.54400 1.000 28.27374  ? 373 HIS A NE2  1 
ATOM   771  H  H    . HIS A 1 54  ? -22.78700 -27.45600 -28.18100 1.000 33.46958  ? 373 HIS A H    1 
ATOM   772  H  HA   . HIS A 1 54  ? -24.41800 -25.46200 -28.68800 1.000 32.87290  ? 373 HIS A HA   1 
ATOM   773  H  HB2  . HIS A 1 54  ? -24.76700 -27.00700 -26.89400 1.000 36.18294  ? 373 HIS A HB2  1 
ATOM   774  H  HB3  . HIS A 1 54  ? -23.60200 -26.32100 -26.11600 1.000 36.18294  ? 373 HIS A HB3  1 
ATOM   775  H  HD2  . HIS A 1 54  ? -27.19000 -25.67800 -26.72500 1.000 30.58137  ? 373 HIS A HD2  1 
ATOM   776  H  HE1  . HIS A 1 54  ? -25.94000 -22.64900 -24.50400 1.000 34.19318  ? 373 HIS A HE1  1 
ATOM   777  H  HE2  . HIS A 1 54  ? -27.82800 -23.71800 -25.44400 1.000 33.99602  ? 373 HIS A HE2  1 
ATOM   778  N  N    . ALA A 1 55  ? -21.57900 -24.65400 -27.46400 1.000 28.61241  ? 374 ALA A N    1 
ATOM   779  C  CA   . ALA A 1 55  ? -20.68000 -23.51700 -27.29200 1.000 33.44435  ? 374 ALA A CA   1 
ATOM   780  C  C    . ALA A 1 55  ? -20.42400 -22.81800 -28.62000 1.000 31.48059  ? 374 ALA A C    1 
ATOM   781  O  O    . ALA A 1 55  ? -20.31200 -21.58800 -28.67300 1.000 31.76519  ? 374 ALA A O    1 
ATOM   782  C  CB   . ALA A 1 55  ? -19.36600 -23.97600 -26.66100 1.000 36.56429  ? 374 ALA A CB   1 
ATOM   783  H  H    . ALA A 1 55  ? -21.23200 -25.42200 -27.29300 1.000 34.40242  ? 374 ALA A H    1 
ATOM   784  H  HA   . ALA A 1 55  ? -21.10400 -22.87800 -26.69800 1.000 40.20075  ? 374 ALA A HA   1 
ATOM   785  H  HB1  . ALA A 1 55  ? -18.77600 -23.21400 -26.55100 1.000 43.94468  ? 374 ALA A HB1  1 
ATOM   786  H  HB2  . ALA A 1 55  ? -19.54400 -24.37400 -25.79500 1.000 43.94468  ? 374 ALA A HB2  1 
ATOM   787  H  HB3  . ALA A 1 55  ? -18.94200 -24.63200 -27.23600 1.000 43.94468  ? 374 ALA A HB3  1 
ATOM   788  N  N    . ILE A 1 56  ? -20.33300 -23.58800 -29.70400 1.000 32.73161  ? 375 ILE A N    1 
ATOM   789  C  CA   . ILE A 1 56  ? -20.19100 -22.99700 -31.03000 1.000 32.87307  ? 375 ILE A CA   1 
ATOM   790  C  C    . ILE A 1 56  ? -21.45800 -22.24100 -31.41100 1.000 28.22838  ? 375 ILE A C    1 
ATOM   791  O  O    . ILE A 1 56  ? -21.40200 -21.10700 -31.90000 1.000 32.32600  ? 375 ILE A O    1 
ATOM   792  C  CB   . ILE A 1 56  ? -19.84900 -24.08700 -32.06300 1.000 32.09791  ? 375 ILE A CB   1 
ATOM   793  C  CG1  . ILE A 1 56  ? -18.48300 -24.70300 -31.75200 1.000 37.16685  ? 375 ILE A CG1  1 
ATOM   794  C  CG2  . ILE A 1 56  ? -19.88600 -23.52100 -33.47500 1.000 36.84863  ? 375 ILE A CG2  1 
ATOM   795  C  CD1  . ILE A 1 56  ? -18.15700 -25.92200 -32.58300 1.000 39.83972  ? 375 ILE A CD1  1 
ATOM   796  H  H    . ILE A 1 56  ? -20.35100 -24.44800 -29.69200 1.000 39.34547  ? 375 ILE A H    1 
ATOM   797  H  HA   . ILE A 1 56  ? -19.46000 -22.35900 -31.01800 1.000 39.51521  ? 375 ILE A HA   1 
ATOM   798  H  HB   . ILE A 1 56  ? -20.51800 -24.78800 -32.00700 1.000 38.58503  ? 375 ILE A HB   1 
ATOM   799  H  HG12 . ILE A 1 56  ? -17.79600 -24.03300 -31.89400 1.000 44.66775  ? 375 ILE A HG12 1 
ATOM   800  H  HG13 . ILE A 1 56  ? -18.45400 -24.94500 -30.81300 1.000 44.66775  ? 375 ILE A HG13 1 
ATOM   801  H  HG21 . ILE A 1 56  ? -19.66800 -24.22100 -34.11000 1.000 44.28589  ? 375 ILE A HG21 1 
ATOM   802  H  HG22 . ILE A 1 56  ? -20.77400 -23.17900 -33.66300 1.000 44.28589  ? 375 ILE A HG22 1 
ATOM   803  H  HG23 . ILE A 1 56  ? -19.23900 -22.80200 -33.55300 1.000 44.28589  ? 375 ILE A HG23 1 
ATOM   804  H  HD11 . ILE A 1 56  ? -17.28200 -26.25900 -32.33500 1.000 47.87520  ? 375 ILE A HD11 1 
ATOM   805  H  HD12 . ILE A 1 56  ? -18.82400 -26.60900 -32.42600 1.000 47.87520  ? 375 ILE A HD12 1 
ATOM   806  H  HD13 . ILE A 1 56  ? -18.15600 -25.68200 -33.52300 1.000 47.87520  ? 375 ILE A HD13 1 
ATOM   807  N  N    . VAL A 1 57  ? -22.62000 -22.85500 -31.18000 1.000 39.44595  ? 376 VAL A N    1 
ATOM   808  C  CA   . VAL A 1 57  ? -23.88700 -22.22400 -31.54300 1.000 28.17771  ? 376 VAL A CA   1 
ATOM   809  C  C    . VAL A 1 57  ? -24.09800 -20.94700 -30.73900 1.000 31.08078  ? 376 VAL A C    1 
ATOM   810  O  O    . VAL A 1 57  ? -24.47300 -19.90300 -31.28600 1.000 29.58420  ? 376 VAL A O    1 
ATOM   811  C  CB   . VAL A 1 57  ? -25.05200 -23.21300 -31.35200 1.000 34.28255  ? 376 VAL A CB   1 
ATOM   812  C  CG1  . VAL A 1 57  ? -26.37900 -22.47400 -31.31600 1.000 38.35178  ? 376 VAL A CG1  1 
ATOM   813  C  CG2  . VAL A 1 57  ? -25.05200 -24.24900 -32.46600 1.000 30.29049  ? 376 VAL A CG2  1 
ATOM   814  H  H    . VAL A 1 57  ? -22.69500 -23.63100 -30.81700 1.000 47.40268  ? 376 VAL A H    1 
ATOM   815  H  HA   . VAL A 1 57  ? -23.85800 -21.97800 -32.48100 1.000 33.88078  ? 376 VAL A HA   1 
ATOM   816  H  HB   . VAL A 1 57  ? -24.93300 -23.66900 -30.50400 1.000 41.20659  ? 376 VAL A HB   1 
ATOM   817  H  HG11 . VAL A 1 57  ? -27.10100 -23.11100 -31.19500 1.000 46.08966  ? 376 VAL A HG11 1 
ATOM   818  H  HG12 . VAL A 1 57  ? -26.37800 -21.84300 -30.57900 1.000 46.08966  ? 376 VAL A HG12 1 
ATOM   819  H  HG13 . VAL A 1 57  ? -26.50600 -21.99600 -32.15000 1.000 46.08966  ? 376 VAL A HG13 1 
ATOM   820  H  HG21 . VAL A 1 57  ? -25.78900 -24.86500 -32.33500 1.000 36.41612  ? 376 VAL A HG21 1 
ATOM   821  H  HG22 . VAL A 1 57  ? -25.15200 -23.80400 -33.32200 1.000 36.41612  ? 376 VAL A HG22 1 
ATOM   822  H  HG23 . VAL A 1 57  ? -24.21500 -24.73900 -32.45200 1.000 36.41612  ? 376 VAL A HG23 1 
ATOM   823  N  N    . GLN A 1 58  ? -23.85100 -21.00600 -29.42800 1.000 28.51566  ? 377 GLN A N    1 
ATOM   824  C  CA   . GLN A 1 58  ? -24.08500 -19.83400 -28.59000 1.000 30.30650  ? 377 GLN A CA   1 
ATOM   825  C  C    . GLN A 1 58  ? -23.13700 -18.69600 -28.94900 1.000 29.90347  ? 377 GLN A C    1 
ATOM   826  O  O    . GLN A 1 58  ? -23.51700 -17.52100 -28.88100 1.000 35.10943  ? 377 GLN A O    1 
ATOM   827  C  CB   . GLN A 1 58  ? -23.94700 -20.20000 -27.11300 1.000 29.21351  ? 377 GLN A CB   1 
ATOM   828  C  CG   . GLN A 1 58  ? -24.52200 -19.14600 -26.18700 1.000 35.71780  ? 377 GLN A CG   1 
ATOM   829  C  CD   . GLN A 1 58  ? -24.40400 -19.48300 -24.71900 1.000 37.88105  ? 377 GLN A CD   1 
ATOM   830  O  OE1  . GLN A 1 58  ? -24.58100 -20.63400 -24.32900 1.000 35.00830  ? 377 GLN A OE1  1 
ATOM   831  N  NE2  . GLN A 1 58  ? -24.08900 -18.49300 -23.89800 1.000 41.17790  ? 377 GLN A NE2  1 
ATOM   832  H  H    . GLN A 1 58  ? -23.55500 -21.69900 -29.01400 1.000 34.28633  ? 377 GLN A H    1 
ATOM   833  H  HA   . GLN A 1 58  ? -24.99100 -19.52700 -28.75300 1.000 36.43534  ? 377 GLN A HA   1 
ATOM   834  H  HB2  . GLN A 1 58  ? -24.39500 -21.04500 -26.95100 1.000 35.12375  ? 377 GLN A HB2  1 
ATOM   835  H  HB3  . GLN A 1 58  ? -23.00900 -20.33100 -26.90300 1.000 35.12375  ? 377 GLN A HB3  1 
ATOM   836  H  HG2  . GLN A 1 58  ? -24.07100 -18.30300 -26.35300 1.000 42.92889  ? 377 GLN A HG2  1 
ATOM   837  H  HG3  . GLN A 1 58  ? -25.45800 -19.01400 -26.40400 1.000 42.92889  ? 377 GLN A HG3  1 
ATOM   838  H  HE21 . GLN A 1 58  ? -23.97200 -17.69900 -24.20700 1.000 49.48101  ? 377 GLN A HE21 1 
ATOM   839  H  HE22 . GLN A 1 58  ? -24.00100 -18.64400 -23.05600 1.000 49.48101  ? 377 GLN A HE22 1 
ATOM   840  N  N    . THR A 1 59  ? -21.90000 -19.02100 -29.33300 1.000 30.39307  ? 378 THR A N    1 
ATOM   841  C  CA   . THR A 1 59  ? -20.96600 -17.97900 -29.75300 1.000 33.04920  ? 378 THR A CA   1 
ATOM   842  C  C    . THR A 1 59  ? -21.44900 -17.29500 -31.02600 1.000 38.77544  ? 378 THR A C    1 
ATOM   843  O  O    . THR A 1 59  ? -21.30400 -16.07600 -31.18000 1.000 34.34070  ? 378 THR A O    1 
ATOM   844  C  CB   . THR A 1 59  ? -19.57000 -18.57000 -29.95600 1.000 40.07669  ? 378 THR A CB   1 
ATOM   845  O  OG1  . THR A 1 59  ? -19.17200 -19.27700 -28.77400 1.000 39.93425  ? 378 THR A OG1  1 
ATOM   846  C  CG2  . THR A 1 59  ? -18.56000 -17.46600 -30.23900 1.000 39.31737  ? 378 THR A CG2  1 
ATOM   847  H  H    . THR A 1 59  ? -21.58900 -19.82200 -29.35700 1.000 36.53922  ? 378 THR A H    1 
ATOM   848  H  HA   . THR A 1 59  ? -20.92100 -17.30900 -29.05300 1.000 39.72657  ? 378 THR A HA   1 
ATOM   849  H  HB   . THR A 1 59  ? -19.59800 -19.17600 -30.71300 1.000 48.15956  ? 378 THR A HB   1 
ATOM   850  H  HG1  . THR A 1 59  ? -19.58300 -20.00900 -28.73300 1.000 47.98864  ? 378 THR A HG1  1 
ATOM   851  H  HG21 . THR A 1 59  ? -17.68100 -17.85600 -30.36500 1.000 47.24838  ? 378 THR A HG21 1 
ATOM   852  H  HG22 . THR A 1 59  ? -18.81900 -16.98800 -31.04200 1.000 47.24838  ? 378 THR A HG22 1 
ATOM   853  H  HG23 . THR A 1 59  ? -18.53500 -16.85000 -29.49000 1.000 47.24838  ? 378 THR A HG23 1 
ATOM   854  N  N    . LEU A 1 60  ? -22.03500 -18.06400 -31.94600 1.000 35.40994  ? 379 LEU A N    1 
ATOM   855  C  CA   . LEU A 1 60  ? -22.60700 -17.47300 -33.15200 1.000 35.45310  ? 379 LEU A CA   1 
ATOM   856  C  C    . LEU A 1 60  ? -23.80600 -16.59400 -32.82000 1.000 35.18204  ? 379 LEU A C    1 
ATOM   857  O  O    . LEU A 1 60  ? -23.97500 -15.51800 -33.40500 1.000 34.48873  ? 379 LEU A O    1 
ATOM   858  C  CB   . LEU A 1 60  ? -23.00300 -18.57200 -34.13700 1.000 36.34263  ? 379 LEU A CB   1 
ATOM   859  C  CG   . LEU A 1 60  ? -21.86800 -19.40100 -34.74200 1.000 35.08276  ? 379 LEU A CG   1 
ATOM   860  C  CD1  . LEU A 1 60  ? -22.42200 -20.58500 -35.51500 1.000 36.50569  ? 379 LEU A CD1  1 
ATOM   861  C  CD2  . LEU A 1 60  ? -21.00300 -18.53600 -35.64100 1.000 37.31175  ? 379 LEU A CD2  1 
ATOM   862  H  H    . LEU A 1 60  ? -22.11000 -18.91900 -31.89000 1.000 42.55946  ? 379 LEU A H    1 
ATOM   863  H  HA   . LEU A 1 60  ? -21.93300 -16.91000 -33.56300 1.000 42.61125  ? 379 LEU A HA   1 
ATOM   864  H  HB2  . LEU A 1 60  ? -23.61100 -19.17700 -33.68500 1.000 43.67869  ? 379 LEU A HB2  1 
ATOM   865  H  HB3  . LEU A 1 60  ? -23.49800 -18.16200 -34.86400 1.000 43.67869  ? 379 LEU A HB3  1 
ATOM   866  H  HG   . LEU A 1 60  ? -21.31800 -19.74100 -34.01900 1.000 42.16684  ? 379 LEU A HG   1 
ATOM   867  H  HD11 . LEU A 1 60  ? -21.68900 -21.09800 -35.89100 1.000 43.87436  ? 379 LEU A HD11 1 
ATOM   868  H  HD12 . LEU A 1 60  ? -22.93800 -21.14900 -34.91800 1.000 43.87436  ? 379 LEU A HD12 1 
ATOM   869  H  HD13 . LEU A 1 60  ? -22.99300 -20.26600 -36.23100 1.000 43.87436  ? 379 LEU A HD13 1 
ATOM   870  H  HD21 . LEU A 1 60  ? -20.28800 -19.07300 -36.01700 1.000 44.84163  ? 379 LEU A HD21 1 
ATOM   871  H  HD22 . LEU A 1 60  ? -21.54500 -18.17100 -36.35800 1.000 44.84163  ? 379 LEU A HD22 1 
ATOM   872  H  HD23 . LEU A 1 60  ? -20.62200 -17.81000 -35.12300 1.000 44.84163  ? 379 LEU A HD23 1 
ATOM   873  N  N    . VAL A 1 61  ? -24.65000 -17.03500 -31.88400 1.000 33.82500  ? 380 VAL A N    1 
ATOM   874  C  CA   . VAL A 1 61  ? -25.79600 -16.22600 -31.47900 1.000 34.40835  ? 380 VAL A CA   1 
ATOM   875  C  C    . VAL A 1 61  ? -25.32900 -14.95300 -30.78500 1.000 41.10498  ? 380 VAL A C    1 
ATOM   876  O  O    . VAL A 1 61  ? -25.93500 -13.88500 -30.94200 1.000 38.86046  ? 380 VAL A O    1 
ATOM   877  C  CB   . VAL A 1 61  ? -26.73900 -17.04900 -30.58200 1.000 36.86238  ? 380 VAL A CB   1 
ATOM   878  C  CG1  . VAL A 1 61  ? -27.92400 -16.20700 -30.13600 1.000 40.70545  ? 380 VAL A CG1  1 
ATOM   879  C  CG2  . VAL A 1 61  ? -27.21400 -18.28400 -31.31800 1.000 36.13567  ? 380 VAL A CG2  1 
ATOM   880  H  H    . VAL A 1 61  ? -24.57700 -17.78900 -31.47800 1.000 40.65754  ? 380 VAL A H    1 
ATOM   881  H  HA   . VAL A 1 61  ? -26.29400 -15.96300 -32.26900 1.000 41.35755  ? 380 VAL A HA   1 
ATOM   882  H  HB   . VAL A 1 61  ? -26.24900 -17.32700 -29.79200 1.000 44.30239  ? 380 VAL A HB   1 
ATOM   883  H  HG11 . VAL A 1 61  ? -28.50700 -16.74000 -29.57300 1.000 48.91408  ? 380 VAL A HG11 1 
ATOM   884  H  HG12 . VAL A 1 61  ? -27.60600 -15.43900 -29.63600 1.000 48.91408  ? 380 VAL A HG12 1 
ATOM   885  H  HG13 . VAL A 1 61  ? -28.41700 -15.90400 -30.91400 1.000 48.91408  ? 380 VAL A HG13 1 
ATOM   886  H  HG21 . VAL A 1 61  ? -27.80700 -18.79500 -30.74500 1.000 43.43034  ? 380 VAL A HG21 1 
ATOM   887  H  HG22 . VAL A 1 61  ? -27.69000 -18.02000 -32.12100 1.000 43.43034  ? 380 VAL A HG22 1 
ATOM   888  H  HG23 . VAL A 1 61  ? -26.45000 -18.83000 -31.56100 1.000 43.43034  ? 380 VAL A HG23 1 
ATOM   889  N  N    . HIS A 1 62  ? -24.24100 -15.04100 -30.01500 1.000 39.77693  ? 381 HIS A N    1 
ATOM   890  C  CA   . HIS A 1 62  ? -23.70500 -13.85600 -29.35300 1.000 44.35907  ? 381 HIS A CA   1 
ATOM   891  C  C    . HIS A 1 62  ? -23.24500 -12.81600 -30.36700 1.000 40.87354  ? 381 HIS A C    1 
ATOM   892  O  O    . HIS A 1 62  ? -23.38300 -11.61100 -30.13500 1.000 43.56285  ? 381 HIS A O    1 
ATOM   893  C  CB   . HIS A 1 62  ? -22.55200 -14.24100 -28.42700 1.000 39.90041  ? 381 HIS A CB   1 
ATOM   894  C  CG   . HIS A 1 62  ? -21.81600 -13.06600 -27.86500 1.000 46.00743  ? 381 HIS A CG   1 
ATOM   895  N  ND1  . HIS A 1 62  ? -22.33100 -12.27600 -26.85900 1.000 47.35330  ? 381 HIS A ND1  1 
ATOM   896  C  CD2  . HIS A 1 62  ? -20.60900 -12.53700 -28.17700 1.000 46.72660  ? 381 HIS A CD2  1 
ATOM   897  C  CE1  . HIS A 1 62  ? -21.47000 -11.31600 -26.57200 1.000 51.65916  ? 381 HIS A CE1  1 
ATOM   898  N  NE2  . HIS A 1 62  ? -20.41700 -11.45100 -27.35800 1.000 47.56022  ? 381 HIS A NE2  1 
ATOM   899  H  H    . HIS A 1 62  ? -23.80600 -15.76800 -29.86600 1.000 47.79985  ? 381 HIS A H    1 
ATOM   900  H  HA   . HIS A 1 62  ? -24.41600 -13.46300 -28.82300 1.000 53.29841  ? 381 HIS A HA   1 
ATOM   901  H  HB2  . HIS A 1 62  ? -22.89900 -14.77500 -27.69600 1.000 47.94802  ? 381 HIS A HB2  1 
ATOM   902  H  HB3  . HIS A 1 62  ? -21.92800 -14.80000 -28.91500 1.000 47.94802  ? 381 HIS A HB3  1 
ATOM   903  H  HD1  . HIS A 1 62  ? -23.09300 -12.39000 -26.47800 1.000 56.89149  ? 381 HIS A HD1  1 
ATOM   904  H  HD2  . HIS A 1 62  ? -20.02000 -12.85000 -28.82500 1.000 56.13945  ? 381 HIS A HD2  1 
ATOM   905  H  HE1  . HIS A 1 62  ? -21.58600 -10.65700 -25.92600 1.000 62.05853  ? 381 HIS A HE1  1 
ATOM   906  N  N    . LEU A 1 63  ? -22.69300 -13.26100 -31.49800 1.000 39.65098  ? 382 LEU A N    1 
ATOM   907  C  CA   . LEU A 1 63  ? -22.30000 -12.32000 -32.54300 1.000 39.93820  ? 382 LEU A CA   1 
ATOM   908  C  C    . LEU A 1 63  ? -23.50500 -11.54800 -33.06400 1.000 41.26295  ? 382 LEU A C    1 
ATOM   909  O  O    . LEU A 1 63  ? -23.46100 -10.32000 -33.20100 1.000 43.42662  ? 382 LEU A O    1 
ATOM   910  C  CB   . LEU A 1 63  ? -21.60700 -13.05900 -33.68800 1.000 46.21813  ? 382 LEU A CB   1 
ATOM   911  C  CG   . LEU A 1 63  ? -20.14700 -13.46800 -33.49500 1.000 55.37109  ? 382 LEU A CG   1 
ATOM   912  C  CD1  . LEU A 1 63  ? -19.63700 -14.21600 -34.71500 1.000 62.91450  ? 382 LEU A CD1  1 
ATOM   913  C  CD2  . LEU A 1 63  ? -19.28200 -12.25000 -33.20800 1.000 63.11046  ? 382 LEU A CD2  1 
ATOM   914  H  H    . LEU A 1 63  ? -22.54100 -14.08800 -31.67600 1.000 47.64871  ? 382 LEU A H    1 
ATOM   915  H  HA   . LEU A 1 63  ? -21.67800 -11.68300 -32.15800 1.000 47.99337  ? 382 LEU A HA   1 
ATOM   916  H  HB2  . LEU A 1 63  ? -22.11800 -13.86100 -33.87700 1.000 55.52929  ? 382 LEU A HB2  1 
ATOM   917  H  HB3  . LEU A 1 63  ? -21.65700 -12.49800 -34.47800 1.000 55.52929  ? 382 LEU A HB3  1 
ATOM   918  H  HG   . LEU A 1 63  ? -20.09400 -14.06300 -32.73000 1.000 66.51284  ? 382 LEU A HG   1 
ATOM   919  H  HD11 . LEU A 1 63  ? -18.71100 -14.46800 -34.57600 1.000 75.56493  ? 382 LEU A HD11 1 
ATOM   920  H  HD12 . LEU A 1 63  ? -20.17100 -15.01400 -34.85300 1.000 75.56493  ? 382 LEU A HD12 1 
ATOM   921  H  HD13 . LEU A 1 63  ? -19.70300 -13.64500 -35.49600 1.000 75.56493  ? 382 LEU A HD13 1 
ATOM   922  H  HD21 . LEU A 1 63  ? -18.36000 -12.52800 -33.08900 1.000 75.80008  ? 382 LEU A HD21 1 
ATOM   923  H  HD22 . LEU A 1 63  ? -19.33800 -11.63000 -33.95200 1.000 75.80008  ? 382 LEU A HD22 1 
ATOM   924  H  HD23 . LEU A 1 63  ? -19.59500 -11.81400 -32.40000 1.000 75.80008  ? 382 LEU A HD23 1 
ATOM   925  N  N    . LYS A 1 64  ? -24.60000 -12.25600 -33.34900 1.000 42.70762  ? 383 LYS A N    1 
ATOM   926  C  CA   . LYS A 1 64  ? -25.77600 -11.60600 -33.91500 1.000 43.40420  ? 383 LYS A CA   1 
ATOM   927  C  C    . LYS A 1 64  ? -26.51400 -10.76700 -32.87900 1.000 47.87841  ? 383 LYS A C    1 
ATOM   928  O  O    . LYS A 1 64  ? -27.06300 -9.71200  -33.21600 1.000 47.20266  ? 383 LYS A O    1 
ATOM   929  C  CB   . LYS A 1 64  ? -26.71100 -12.65700 -34.51300 1.000 42.62912  ? 383 LYS A CB   1 
ATOM   930  C  CG   . LYS A 1 64  ? -27.62600 -12.12700 -35.59800 1.000 58.68556  ? 383 LYS A CG   1 
ATOM   931  C  CD   . LYS A 1 64  ? -26.83700 -11.80000 -36.85500 1.000 56.68893  ? 383 LYS A CD   1 
ATOM   932  C  CE   . LYS A 1 64  ? -27.74100 -11.24200 -37.94300 1.000 55.95285  ? 383 LYS A CE   1 
ATOM   933  N  NZ   . LYS A 1 64  ? -28.53200 -12.31100 -38.61200 1.000 64.79075  ? 383 LYS A NZ   1 
ATOM   934  H  H    . LYS A 1 64  ? -24.67900 -13.10300 -33.22300 1.000 51.31667  ? 383 LYS A H    1 
ATOM   935  H  HA   . LYS A 1 64  ? -25.47700 -11.00400 -34.61400 1.000 52.15257  ? 383 LYS A HA   1 
ATOM   936  H  HB2  . LYS A 1 64  ? -26.17700 -13.38000 -34.87800 1.000 51.22248  ? 383 LYS A HB2  1 
ATOM   937  H  HB3  . LYS A 1 64  ? -27.25300 -13.03500 -33.80300 1.000 51.22248  ? 383 LYS A HB3  1 
ATOM   938  H  HG2  . LYS A 1 64  ? -28.30900 -12.78500 -35.80100 1.000 70.49021  ? 383 LYS A HG2  1 
ATOM   939  H  HG3  . LYS A 1 64  ? -28.08300 -11.33200 -35.28200 1.000 70.49021  ? 383 LYS A HG3  1 
ATOM   940  H  HD2  . LYS A 1 64  ? -26.14300 -11.15500 -36.64600 1.000 68.09425  ? 383 LYS A HD2  1 
ATOM   941  H  HD3  . LYS A 1 64  ? -26.39300 -12.60000 -37.17800 1.000 68.09425  ? 383 LYS A HD3  1 
ATOM   942  H  HE2  . LYS A 1 64  ? -28.34400 -10.58800 -37.55700 1.000 67.21095  ? 383 LYS A HE2  1 
ATOM   943  H  HE3  . LYS A 1 64  ? -27.20300 -10.77800 -38.60300 1.000 67.21095  ? 383 LYS A HE3  1 
ATOM   944  H  HZ1  . LYS A 1 64  ? -29.30700 -11.97500 -38.89300 1.000 77.81644  ? 383 LYS A HZ1  1 
ATOM   945  H  HZ2  . LYS A 1 64  ? -28.07600 -12.62700 -39.30800 1.000 77.81644  ? 383 LYS A HZ2  1 
ATOM   946  H  HZ3  . LYS A 1 64  ? -28.68700 -12.97100 -38.03500 1.000 77.81644  ? 383 LYS A HZ3  1 
ATOM   947  N  N    . PHE A 1 65  ? -26.53900 -11.21300 -31.62400 1.000 47.55666  ? 384 PHE A N    1 
ATOM   948  C  CA   . PHE A 1 65  ? -27.23700 -10.51800 -30.54100 1.000 55.96401  ? 384 PHE A CA   1 
ATOM   949  C  C    . PHE A 1 65  ? -26.28000 -10.38300 -29.36400 1.000 54.51515  ? 384 PHE A C    1 
ATOM   950  O  O    . PHE A 1 65  ? -26.34300 -11.16200 -28.40300 1.000 58.36441  ? 384 PHE A O    1 
ATOM   951  C  CB   . PHE A 1 65  ? -28.51100 -11.26100 -30.13500 1.000 51.40876  ? 384 PHE A CB   1 
ATOM   952  C  CG   . PHE A 1 65  ? -29.37000 -11.67500 -31.29700 1.000 50.27464  ? 384 PHE A CG   1 
ATOM   953  C  CD1  . PHE A 1 65  ? -29.16800 -12.89200 -31.92500 1.000 45.57224  ? 384 PHE A CD1  1 
ATOM   954  C  CD2  . PHE A 1 65  ? -30.38000 -10.84800 -31.75700 1.000 61.16368  ? 384 PHE A CD2  1 
ATOM   955  C  CE1  . PHE A 1 65  ? -29.95600 -13.27600 -32.99400 1.000 49.84493  ? 384 PHE A CE1  1 
ATOM   956  C  CE2  . PHE A 1 65  ? -31.17300 -11.22700 -32.82600 1.000 60.71857  ? 384 PHE A CE2  1 
ATOM   957  C  CZ   . PHE A 1 65  ? -30.96000 -12.44300 -33.44400 1.000 46.84774  ? 384 PHE A CZ   1 
ATOM   958  H  H    . PHE A 1 65  ? -26.14700 -11.93600 -31.37400 1.000 57.13553  ? 384 PHE A H    1 
ATOM   959  H  HA   . PHE A 1 65  ? -27.51200 -9.63800  -30.84200 1.000 67.22434  ? 384 PHE A HA   1 
ATOM   960  H  HB2  . PHE A 1 65  ? -28.26700 -12.05000 -29.62700 1.000 61.75805  ? 384 PHE A HB2  1 
ATOM   961  H  HB3  . PHE A 1 65  ? -29.03200 -10.69400 -29.54500 1.000 61.75805  ? 384 PHE A HB3  1 
ATOM   962  H  HD1  . PHE A 1 65  ? -28.49400 -13.45800 -31.62400 1.000 54.75422  ? 384 PHE A HD1  1 
ATOM   963  H  HD2  . PHE A 1 65  ? -30.52700 -10.02800 -31.34300 1.000 73.46395  ? 384 PHE A HD2  1 
ATOM   964  H  HE1  . PHE A 1 65  ? -29.81000 -14.09500 -33.41000 1.000 59.88144  ? 384 PHE A HE1  1 
ATOM   965  H  HE2  . PHE A 1 65  ? -31.84800 -10.66300 -33.12800 1.000 72.92981  ? 384 PHE A HE2  1 
ATOM   966  H  HZ   . PHE A 1 65  ? -31.49200 -12.70000 -34.16200 1.000 56.28483  ? 384 PHE A HZ   1 
ATOM   967  N  N    . PRO A 1 66  ? -25.38000 -9.39600  -29.40300 1.000 49.82624  ? 385 PRO A N    1 
ATOM   968  C  CA   . PRO A 1 66  ? -24.37800 -9.28600  -28.33000 1.000 51.35920  ? 385 PRO A CA   1 
ATOM   969  C  C    . PRO A 1 66  ? -24.94900 -8.81100  -27.00600 1.000 52.32509  ? 385 PRO A C    1 
ATOM   970  O  O    . PRO A 1 66  ? -24.38800 -9.14200  -25.95500 1.000 53.39408  ? 385 PRO A O    1 
ATOM   971  C  CB   . PRO A 1 66  ? -23.36800 -8.28100  -28.89900 1.000 55.15164  ? 385 PRO A CB   1 
ATOM   972  C  CG   . PRO A 1 66  ? -24.16800 -7.45100  -29.84600 1.000 51.67318  ? 385 PRO A CG   1 
ATOM   973  C  CD   . PRO A 1 66  ? -25.19200 -8.37400  -30.44800 1.000 50.31073  ? 385 PRO A CD   1 
ATOM   974  H  HA   . PRO A 1 66  ? -23.99300 -10.14900 -28.11000 1.000 61.69857  ? 385 PRO A HA   1 
ATOM   975  H  HB2  . PRO A 1 66  ? -22.97500 -7.73800  -28.19800 1.000 66.24950  ? 385 PRO A HB2  1 
ATOM   976  H  HB3  . PRO A 1 66  ? -22.63800 -8.73100  -29.35200 1.000 66.24950  ? 385 PRO A HB3  1 
ATOM   977  H  HG2  . PRO A 1 66  ? -24.59600 -6.71300  -29.38400 1.000 62.07535  ? 385 PRO A HG2  1 
ATOM   978  H  HG3  . PRO A 1 66  ? -23.60200 -7.06600  -30.53300 1.000 62.07535  ? 385 PRO A HG3  1 
ATOM   979  H  HD2  . PRO A 1 66  ? -26.02000 -7.90900  -30.64800 1.000 60.44041  ? 385 PRO A HD2  1 
ATOM   980  H  HD3  . PRO A 1 66  ? -24.87800 -8.76400  -31.27900 1.000 60.44041  ? 385 PRO A HD3  1 
ATOM   981  N  N    . THR A 1 67  ? -26.03800 -8.04300  -27.01500 1.000 56.65941  ? 386 THR A N    1 
ATOM   982  C  CA   . THR A 1 67  ? -26.61400 -7.52600  -25.78000 1.000 67.42288  ? 386 THR A CA   1 
ATOM   983  C  C    . THR A 1 67  ? -27.60800 -8.48200  -25.13600 1.000 66.93250  ? 386 THR A C    1 
ATOM   984  O  O    . THR A 1 67  ? -27.98600 -8.26900  -23.97800 1.000 66.55952  ? 386 THR A O    1 
ATOM   985  C  CB   . THR A 1 67  ? -27.30900 -6.18300  -26.03300 1.000 59.61429  ? 386 THR A CB   1 
ATOM   986  O  OG1  . THR A 1 67  ? -28.44900 -6.38300  -26.87700 1.000 66.15202  ? 386 THR A OG1  1 
ATOM   987  C  CG2  . THR A 1 67  ? -26.35300 -5.20900  -26.70600 1.000 67.57668  ? 386 THR A CG2  1 
ATOM   988  H  H    . THR A 1 67  ? -26.45700 -7.81100  -27.72900 1.000 68.05882  ? 386 THR A H    1 
ATOM   989  H  HA   . THR A 1 67  ? -25.87200 -7.41500  -25.16500 1.000 80.97499  ? 386 THR A HA   1 
ATOM   990  H  HB   . THR A 1 67  ? -27.59000 -5.81400  -25.18100 1.000 71.60468  ? 386 THR A HB   1 
ATOM   991  H  HG1  . THR A 1 67  ? -28.77300 -5.63800  -27.09200 1.000 79.44996  ? 386 THR A HG1  1 
ATOM   992  H  HG21 . THR A 1 67  ? -26.80600 -4.36500  -26.86000 1.000 81.15954  ? 386 THR A HG21 1 
ATOM   993  H  HG22 . THR A 1 67  ? -25.58300 -5.06300  -26.13400 1.000 81.15954  ? 386 THR A HG22 1 
ATOM   994  H  HG23 . THR A 1 67  ? -26.06000 -5.57700  -27.55400 1.000 81.15954  ? 386 THR A HG23 1 
ATOM   995  N  N    . LYS A 1 68  ? -28.03600 -9.52300  -25.84700 1.000 71.87299  ? 387 LYS A N    1 
ATOM   996  C  CA   . LYS A 1 68  ? -29.02900 -10.46300 -25.34300 1.000 67.16376  ? 387 LYS A CA   1 
ATOM   997  C  C    . LYS A 1 68  ? -28.42700 -11.78600 -24.88900 1.000 63.53406  ? 387 LYS A C    1 
ATOM   998  O  O    . LYS A 1 68  ? -28.86700 -12.34700 -23.88100 1.000 59.53584  ? 387 LYS A O    1 
ATOM   999  C  CB   . LYS A 1 68  ? -30.08900 -10.73300 -26.41500 1.000 69.37936  ? 387 LYS A CB   1 
ATOM   1000 C  CG   . LYS A 1 68  ? -30.96100 -9.53200  -26.74600 1.000 77.33992  ? 387 LYS A CG   1 
ATOM   1001 C  CD   . LYS A 1 68  ? -31.97100 -9.86500  -27.83200 1.000 78.04549  ? 387 LYS A CD   1 
ATOM   1002 C  CE   . LYS A 1 68  ? -32.86000 -8.67100  -28.14600 1.000 83.67645  ? 387 LYS A CE   1 
ATOM   1003 N  NZ   . LYS A 1 68  ? -33.84200 -8.97200  -29.22600 1.000 87.27857  ? 387 LYS A NZ   1 
ATOM   1004 H  H    . LYS A 1 68  ? -27.75600 -9.70300  -26.64000 1.000 86.31513  ? 387 LYS A H    1 
ATOM   1005 H  HA   . LYS A 1 68  ? -29.43000 -10.04600 -24.56400 1.000 80.66405  ? 387 LYS A HA   1 
ATOM   1006 H  HB2  . LYS A 1 68  ? -29.64700 -11.03200 -27.22500 1.000 83.32276  ? 387 LYS A HB2  1 
ATOM   1007 H  HB3  . LYS A 1 68  ? -30.65700 -11.46000 -26.11700 1.000 83.32276  ? 387 LYS A HB3  1 
ATOM   1008 H  HG2  . LYS A 1 68  ? -31.42700 -9.23800  -25.94800 1.000 92.87544  ? 387 LYS A HG2  1 
ATOM   1009 H  HG3  . LYS A 1 68  ? -30.40200 -8.79400  -27.03600 1.000 92.87544  ? 387 LYS A HG3  1 
ATOM   1010 H  HD2  . LYS A 1 68  ? -31.50500 -10.14400 -28.63600 1.000 93.72212  ? 387 LYS A HD2  1 
ATOM   1011 H  HD3  . LYS A 1 68  ? -32.51900 -10.61300 -27.54800 1.000 93.72212  ? 387 LYS A HD3  1 
ATOM   1012 H  HE2  . LYS A 1 68  ? -33.33500 -8.40300  -27.34400 1.000 100.47928 ? 387 LYS A HE2  1 
ATOM   1013 H  HE3  . LYS A 1 68  ? -32.30800 -7.91900  -28.41300 1.000 100.47928 ? 387 LYS A HE3  1 
ATOM   1014 H  HZ1  . LYS A 1 68  ? -34.04700 -8.22200  -29.65800 1.000 104.80182 ? 387 LYS A HZ1  1 
ATOM   1015 H  HZ2  . LYS A 1 68  ? -33.48700 -9.55500  -29.79700 1.000 104.80182 ? 387 LYS A HZ2  1 
ATOM   1016 H  HZ3  . LYS A 1 68  ? -34.57900 -9.31900  -28.86900 1.000 104.80182 ? 387 LYS A HZ3  1 
ATOM   1017 N  N    . VAL A 1 69  ? -27.48400 -12.30000 -25.66600 1.000 58.16103  ? 388 VAL A N    1 
ATOM   1018 C  CA   . VAL A 1 69  ? -26.89100 -13.62700 -25.36300 1.000 44.78636  ? 388 VAL A CA   1 
ATOM   1019 C  C    . VAL A 1 69  ? -25.40700 -13.44000 -25.09100 1.000 51.48822  ? 388 VAL A C    1 
ATOM   1020 O  O    . VAL A 1 69  ? -24.77900 -12.69600 -25.81700 1.000 50.33970  ? 388 VAL A O    1 
ATOM   1021 C  CB   . VAL A 1 69  ? -27.12200 -14.62300 -26.51100 1.000 43.05957  ? 388 VAL A CB   1 
ATOM   1022 C  CG1  . VAL A 1 69  ? -26.58500 -16.00700 -26.18800 1.000 44.86541  ? 388 VAL A CG1  1 
ATOM   1023 C  CG2  . VAL A 1 69  ? -28.58600 -14.68500 -26.90800 1.000 61.03468  ? 388 VAL A CG2  1 
ATOM   1024 H  H    . VAL A 1 69  ? -27.16800 -11.91400 -26.36700 1.000 69.86077  ? 388 VAL A H    1 
ATOM   1025 H  HA   . VAL A 1 69  ? -27.32400 -14.00100 -24.58000 1.000 53.81117  ? 388 VAL A HA   1 
ATOM   1026 H  HB   . VAL A 1 69  ? -26.62000 -14.29200 -27.27200 1.000 51.73902  ? 388 VAL A HB   1 
ATOM   1027 H  HG11 . VAL A 1 69  ? -26.75100 -16.60200 -26.93600 1.000 53.90603  ? 388 VAL A HG11 1 
ATOM   1028 H  HG12 . VAL A 1 69  ? -25.63100 -15.95400 -26.02400 1.000 53.90603  ? 388 VAL A HG12 1 
ATOM   1029 H  HG13 . VAL A 1 69  ? -27.03000 -16.35100 -25.39800 1.000 53.90603  ? 388 VAL A HG13 1 
ATOM   1030 H  HG21 . VAL A 1 69  ? -28.69800 -15.32000 -27.63200 1.000 73.30915  ? 388 VAL A HG21 1 
ATOM   1031 H  HG22 . VAL A 1 69  ? -29.11600 -14.96700 -26.14600 1.000 73.30915  ? 388 VAL A HG22 1 
ATOM   1032 H  HG23 . VAL A 1 69  ? -28.88000 -13.80800 -27.19900 1.000 73.30915  ? 388 VAL A HG23 1 
ATOM   1033 N  N    . SER A 1 70  ? -24.91000 -14.09900 -24.05800 1.000 43.87588  ? 389 SER A N    1 
ATOM   1034 C  CA   . SER A 1 70  ? -23.47300 -14.04400 -23.73100 1.000 50.79543  ? 389 SER A CA   1 
ATOM   1035 C  C    . SER A 1 70  ? -22.70600 -15.05800 -24.57400 1.000 42.46102  ? 389 SER A C    1 
ATOM   1036 O  O    . SER A 1 70  ? -23.31600 -15.97100 -25.12400 1.000 39.65264  ? 389 SER A O    1 
ATOM   1037 C  CB   . SER A 1 70  ? -23.25800 -14.32000 -22.27900 1.000 57.04136  ? 389 SER A CB   1 
ATOM   1038 O  OG   . SER A 1 70  ? -23.10300 -15.71000 -22.05700 1.000 79.44684  ? 389 SER A OG   1 
ATOM   1039 H  H    . SER A 1 70  ? -25.37900 -14.58700 -23.52700 1.000 52.71859  ? 389 SER A H    1 
ATOM   1040 H  HA   . SER A 1 70  ? -23.14400 -13.15300 -23.93000 1.000 61.02204  ? 389 SER A HA   1 
ATOM   1041 H  HB2  . SER A 1 70  ? -22.47000 -13.84700 -21.96700 1.000 68.51716  ? 389 SER A HB2  1 
ATOM   1042 H  HB3  . SER A 1 70  ? -24.01100 -13.98700 -21.76600 1.000 68.51716  ? 389 SER A HB3  1 
ATOM   1043 H  HG   . SER A 1 70  ? -23.28500 -15.88800 -21.25600 1.000 95.40375  ? 389 SER A HG   1 
ATOM   1044 N  N    . LYS A 1 71  ? -21.39700 -14.89300 -24.62700 1.000 45.08633  ? 390 LYS A N    1 
ATOM   1045 C  CA   . LYS A 1 71  ? -20.54700 -15.83700 -25.37900 1.000 48.09895  ? 390 LYS A CA   1 
ATOM   1046 C  C    . LYS A 1 71  ? -20.27200 -17.07600 -24.53700 1.000 49.48108  ? 390 LYS A C    1 
ATOM   1047 O  O    . LYS A 1 71  ? -20.63400 -17.09000 -23.36200 1.000 43.30105  ? 390 LYS A O    1 
ATOM   1048 C  CB   . LYS A 1 71  ? -19.21000 -15.17600 -25.69100 1.000 55.42315  ? 390 LYS A CB   1 
ATOM   1049 C  CG   . LYS A 1 71  ? -18.61000 -14.37700 -24.54400 1.000 64.36628  ? 390 LYS A CG   1 
ATOM   1050 C  CD   . LYS A 1 71  ? -18.60800 -12.88700 -24.79600 1.000 60.50820  ? 390 LYS A CD   1 
ATOM   1051 C  CE   . LYS A 1 71  ? -19.03100 -12.08000 -23.58800 1.000 73.51957  ? 390 LYS A CE   1 
ATOM   1052 N  NZ   . LYS A 1 71  ? -20.47900 -12.20900 -23.30700 1.000 55.16982  ? 390 LYS A NZ   1 
ATOM   1053 H  H    . LYS A 1 71  ? -20.97200 -14.25200 -24.24300 1.000 54.17113  ? 390 LYS A H    1 
ATOM   1054 H  HA   . LYS A 1 71  ? -21.00700 -16.08500 -26.19600 1.000 57.78628  ? 390 LYS A HA   1 
ATOM   1055 H  HB2  . LYS A 1 71  ? -18.57800 -15.86300 -25.95500 1.000 66.57532  ? 390 LYS A HB2  1 
ATOM   1056 H  HB3  . LYS A 1 71  ? -19.32500 -14.58700 -26.45300 1.000 66.57532  ? 390 LYS A HB3  1 
ATOM   1057 H  HG2  . LYS A 1 71  ? -19.10900 -14.56200 -23.73300 1.000 77.30706  ? 390 LYS A HG2  1 
ATOM   1058 H  HG3  . LYS A 1 71  ? -17.70000 -14.67500 -24.39100 1.000 77.30706  ? 390 LYS A HG3  1 
ATOM   1059 H  HD2  . LYS A 1 71  ? -17.71800 -12.61100 -25.06700 1.000 72.67737  ? 390 LYS A HD2  1 
ATOM   1060 H  HD3  . LYS A 1 71  ? -19.20400 -12.68900 -25.53500 1.000 72.67737  ? 390 LYS A HD3  1 
ATOM   1061 H  HE2  . LYS A 1 71  ? -18.52600 -12.37200 -22.81300 1.000 88.29101  ? 390 LYS A HE2  1 
ATOM   1062 H  HE3  . LYS A 1 71  ? -18.81300 -11.14600 -23.73300 1.000 88.29101  ? 390 LYS A HE3  1 
ATOM   1063 H  HZ1  . LYS A 1 71  ? -20.76700 -11.47800 -22.88900 1.000 66.27132  ? 390 LYS A HZ1  1 
ATOM   1064 H  HZ2  . LYS A 1 71  ? -20.92300 -12.30600 -24.07200 1.000 66.27132  ? 390 LYS A HZ2  1 
ATOM   1065 H  HZ3  . LYS A 1 71  ? -20.61900 -12.92000 -22.79100 1.000 66.27132  ? 390 LYS A HZ3  1 
ATOM   1066 N  N    . ALA A 1 72  ? -19.62700 -18.06200 -25.14500 1.000 51.73114  ? 391 ALA A N    1 
ATOM   1067 C  CA   . ALA A 1 72  ? -19.24900 -19.29300 -24.43000 1.000 41.71201  ? 391 ALA A CA   1 
ATOM   1068 C  C    . ALA A 1 72  ? -18.12100 -18.97400 -23.44700 1.000 46.64668  ? 391 ALA A C    1 
ATOM   1069 O  O    . ALA A 1 72  ? -17.44700 -17.95400 -23.62900 1.000 42.95381  ? 391 ALA A O    1 
ATOM   1070 C  CB   . ALA A 1 72  ? -18.83900 -20.33100 -25.42700 1.000 40.64389  ? 391 ALA A CB   1 
ATOM   1071 H  H    . ALA A 1 72  ? -19.39500 -18.04600 -25.97300 1.000 62.14490  ? 391 ALA A H    1 
ATOM   1072 H  HA   . ALA A 1 72  ? -19.99900 -19.64200 -23.92400 1.000 50.12194  ? 391 ALA A HA   1 
ATOM   1073 H  HB1  . ALA A 1 72  ? -18.58900 -21.14500 -24.96300 1.000 48.84020  ? 391 ALA A HB1  1 
ATOM   1074 H  HB2  . ALA A 1 72  ? -19.58000 -20.51600 -26.02500 1.000 48.84020  ? 391 ALA A HB2  1 
ATOM   1075 H  HB3  . ALA A 1 72  ? -18.08300 -20.00600 -25.94000 1.000 48.84020  ? 391 ALA A HB3  1 
ATOM   1076 N  N    . CYS A 1 73  ? -17.91700 -19.84000 -22.46300 1.000 44.49609  ? 392 CYS A N    1 
ATOM   1077 C  CA   . CYS A 1 73  ? -16.92400 -19.51800 -21.41600 1.000 41.03131  ? 392 CYS A CA   1 
ATOM   1078 C  C    . CYS A 1 73  ? -15.76000 -20.50800 -21.43100 1.000 43.50459  ? 392 CYS A C    1 
ATOM   1079 O  O    . CYS A 1 73  ? -16.00300 -21.69700 -21.62300 1.000 45.32627  ? 392 CYS A O    1 
ATOM   1080 C  CB   . CYS A 1 73  ? -17.58700 -19.48000 -20.04500 1.000 46.63396  ? 392 CYS A CB   1 
ATOM   1081 S  SG   . CYS A 1 73  ? -17.04100 -18.12100 -18.98300 1.000 79.95704  ? 392 CYS A SG   1 
ATOM   1082 H  H    . CYS A 1 73  ? -18.32000 -20.59400 -22.37400 1.000 53.46285  ? 392 CYS A H    1 
ATOM   1083 H  HA   . CYS A 1 73  ? -16.56300 -18.63800 -21.60600 1.000 49.30511  ? 392 CYS A HA   1 
ATOM   1084 H  HB2  . CYS A 1 73  ? -18.54700 -19.41600 -20.16500 1.000 56.02828  ? 392 CYS A HB2  1 
ATOM   1085 H  HB3  . CYS A 1 73  ? -17.41300 -20.32000 -19.59100 1.000 56.02828  ? 392 CYS A HB3  1 
ATOM   1086 N  N    . CYS A 1 74  ? -14.54700 -19.99300 -21.28600 1.000 34.57424  ? 393 CYS A N    1 
ATOM   1087 C  CA   . CYS A 1 74  ? -13.34300 -20.81200 -21.16100 1.000 32.10932  ? 393 CYS A CA   1 
ATOM   1088 C  C    . CYS A 1 74  ? -13.26200 -21.35700 -19.74100 1.000 36.04972  ? 393 CYS A C    1 
ATOM   1089 O  O    . CYS A 1 74  ? -13.06200 -20.59300 -18.79300 1.000 35.00034  ? 393 CYS A O    1 
ATOM   1090 C  CB   . CYS A 1 74  ? -12.11700 -19.96500 -21.48800 1.000 33.37523  ? 393 CYS A CB   1 
ATOM   1091 S  SG   . CYS A 1 74  ? -10.55600 -20.80500 -21.39500 1.000 37.38079  ? 393 CYS A SG   1 
ATOM   1092 H  H    . CYS A 1 74  ? -14.39500 -19.14700 -21.25700 1.000 41.55662  ? 393 CYS A H    1 
ATOM   1093 H  HA   . CYS A 1 74  ? -13.37500 -21.55600 -21.78200 1.000 38.59872  ? 393 CYS A HA   1 
ATOM   1094 H  HB2  . CYS A 1 74  ? -12.22100 -19.60700 -22.38400 1.000 40.11781  ? 393 CYS A HB2  1 
ATOM   1095 H  HB3  . CYS A 1 74  ? -12.09500 -19.20800 -20.88100 1.000 40.11781  ? 393 CYS A HB3  1 
ATOM   1096 N  N    . VAL A 1 75  ? -13.39700 -22.67300 -19.59400 1.000 33.21723  ? 394 VAL A N    1 
ATOM   1097 C  CA   . VAL A 1 75  ? -13.53000 -23.30500 -18.28100 1.000 31.17731  ? 394 VAL A CA   1 
ATOM   1098 C  C    . VAL A 1 75  ? -12.70900 -24.58000 -18.24600 1.000 37.34316  ? 394 VAL A C    1 
ATOM   1099 O  O    . VAL A 1 75  ? -12.37500 -25.15600 -19.29100 1.000 32.26800  ? 394 VAL A O    1 
ATOM   1100 C  CB   . VAL A 1 75  ? -15.00600 -23.63100 -17.94300 1.000 35.02459  ? 394 VAL A CB   1 
ATOM   1101 C  CG1  . VAL A 1 75  ? -15.81400 -22.35800 -17.75000 1.000 33.86364  ? 394 VAL A CG1  1 
ATOM   1102 C  CG2  . VAL A 1 75  ? -15.62000 -24.52600 -19.01000 1.000 37.19913  ? 394 VAL A CG2  1 
ATOM   1103 H  H    . VAL A 1 75  ? -13.41400 -23.22600 -20.25300 1.000 39.92820  ? 394 VAL A H    1 
ATOM   1104 H  HA   . VAL A 1 75  ? -13.20500 -22.67800 -17.61600 1.000 37.48031  ? 394 VAL A HA   1 
ATOM   1105 H  HB   . VAL A 1 75  ? -15.02500 -24.11800 -17.10400 1.000 42.09704  ? 394 VAL A HB   1 
ATOM   1106 H  HG11 . VAL A 1 75  ? -16.73300 -22.58700 -17.54000 1.000 40.70390  ? 394 VAL A HG11 1 
ATOM   1107 H  HG12 . VAL A 1 75  ? -15.43500 -21.84100 -17.02200 1.000 40.70390  ? 394 VAL A HG12 1 
ATOM   1108 H  HG13 . VAL A 1 75  ? -15.79000 -21.83300 -18.56500 1.000 40.70390  ? 394 VAL A HG13 1 
ATOM   1109 H  HG21 . VAL A 1 75  ? -16.54300 -24.71800 -18.78000 1.000 44.70649  ? 394 VAL A HG21 1 
ATOM   1110 H  HG22 . VAL A 1 75  ? -15.58800 -24.07500 -19.86800 1.000 44.70649  ? 394 VAL A HG22 1 
ATOM   1111 H  HG23 . VAL A 1 75  ? -15.12100 -25.35600 -19.06300 1.000 44.70649  ? 394 VAL A HG23 1 
ATOM   1112 N  N    . PRO A 1 76  ? -12.37200 -25.05300 -17.04200 1.000 33.04517  ? 395 PRO A N    1 
ATOM   1113 C  CA   . PRO A 1 76  ? -11.77700 -26.38400 -16.91100 1.000 35.30717  ? 395 PRO A CA   1 
ATOM   1114 C  C    . PRO A 1 76  ? -12.71000 -27.45400 -17.43700 1.000 39.28391  ? 395 PRO A C    1 
ATOM   1115 O  O    . PRO A 1 76  ? -13.89600 -27.48900 -17.09800 1.000 35.01107  ? 395 PRO A O    1 
ATOM   1116 C  CB   . PRO A 1 76  ? -11.57000 -26.53100 -15.39600 1.000 32.79586  ? 395 PRO A CB   1 
ATOM   1117 C  CG   . PRO A 1 76  ? -11.44300 -25.16800 -14.93000 1.000 31.22388  ? 395 PRO A CG   1 
ATOM   1118 C  CD   . PRO A 1 76  ? -12.38400 -24.34900 -15.75400 1.000 29.55356  ? 395 PRO A CD   1 
ATOM   1119 H  HA   . PRO A 1 76  ? -10.95600 -26.48300 -17.41900 1.000 42.43614  ? 395 PRO A HA   1 
ATOM   1120 H  HB2  . PRO A 1 76  ? -12.31900 -26.98200 -14.97700 1.000 39.42256  ? 395 PRO A HB2  1 
ATOM   1121 H  HB3  . PRO A 1 76  ? -10.77700 -27.05100 -15.19400 1.000 39.42256  ? 395 PRO A HB3  1 
ATOM   1122 H  HG2  . PRO A 1 76  ? -11.66300 -25.10300 -13.98800 1.000 37.53619  ? 395 PRO A HG2  1 
ATOM   1123 H  HG3  . PRO A 1 76  ? -10.53100 -24.85200 -15.03100 1.000 37.53619  ? 395 PRO A HG3  1 
ATOM   1124 H  HD2  . PRO A 1 76  ? -13.27300 -24.32000 -15.36600 1.000 35.53180  ? 395 PRO A HD2  1 
ATOM   1125 H  HD3  . PRO A 1 76  ? -12.08300 -23.43100 -15.84100 1.000 35.53180  ? 395 PRO A HD3  1 
ATOM   1126 N  N    . THR A 1 77  ? -12.15800 -28.34200 -18.25900 1.000 37.75811  ? 396 THR A N    1 
ATOM   1127 C  CA   . THR A 1 77  ? -12.88700 -29.49600 -18.75300 1.000 37.39781  ? 396 THR A CA   1 
ATOM   1128 C  C    . THR A 1 77  ? -12.36600 -30.79400 -18.16100 1.000 41.38824  ? 396 THR A C    1 
ATOM   1129 O  O    . THR A 1 77  ? -13.03000 -31.82800 -18.28300 1.000 45.39142  ? 396 THR A O    1 
ATOM   1130 C  CB   . THR A 1 77  ? -12.81500 -29.53400 -20.28600 1.000 38.15856  ? 396 THR A CB   1 
ATOM   1131 O  OG1  . THR A 1 77  ? -11.45400 -29.38500 -20.68700 1.000 37.16364  ? 396 THR A OG1  1 
ATOM   1132 C  CG2  . THR A 1 77  ? -13.60500 -28.37200 -20.86400 1.000 35.65708  ? 396 THR A CG2  1 
ATOM   1133 H  H    . THR A 1 77  ? -11.34800 -28.28900 -18.54400 1.000 45.37727  ? 396 THR A H    1 
ATOM   1134 H  HA   . THR A 1 77  ? -13.81200 -29.40800 -18.47500 1.000 44.94490  ? 396 THR A HA   1 
ATOM   1135 H  HB   . THR A 1 77  ? -13.17900 -30.37500 -20.60300 1.000 45.85780  ? 396 THR A HB   1 
ATOM   1136 H  HG1  . THR A 1 77  ? -11.41700 -29.28200 -21.52000 1.000 44.66390  ? 396 THR A HG1  1 
ATOM   1137 H  HG21 . THR A 1 77  ? -13.55800 -28.39800 -21.83200 1.000 42.85603  ? 396 THR A HG21 1 
ATOM   1138 H  HG22 . THR A 1 77  ? -14.53100 -28.43900 -20.58400 1.000 42.85603  ? 396 THR A HG22 1 
ATOM   1139 H  HG23 . THR A 1 77  ? -13.23100 -27.53600 -20.54500 1.000 42.85603  ? 396 THR A HG23 1 
ATOM   1140 N  N    . LYS A 1 78  ? -11.22400 -30.71000 -17.47800 1.000 41.25531  ? 397 LYS A N    1 
ATOM   1141 C  CA   . LYS A 1 78  ? -10.70500 -31.89100 -16.74600 1.000 39.66796  ? 397 LYS A CA   1 
ATOM   1142 C  C    . LYS A 1 78  ? -9.92900  -31.37300 -15.53600 1.000 36.82779  ? 397 LYS A C    1 
ATOM   1143 O  O    . LYS A 1 78  ? -9.17900  -30.39500 -15.67500 1.000 36.10686  ? 397 LYS A O    1 
ATOM   1144 C  CB   . LYS A 1 78  ? -9.80600  -32.77600 -17.61800 1.000 44.51169  ? 397 LYS A CB   1 
ATOM   1145 C  CG   . LYS A 1 78  ? -9.33300  -34.02500 -16.88900 1.000 56.55028  ? 397 LYS A CG   1 
ATOM   1146 C  CD   . LYS A 1 78  ? -8.50000  -34.91700 -17.73500 1.000 59.84478  ? 397 LYS A CD   1 
ATOM   1147 C  CE   . LYS A 1 78  ? -7.98300  -36.16700 -17.04300 1.000 53.42785  ? 397 LYS A CE   1 
ATOM   1148 N  NZ   . LYS A 1 78  ? -7.15800  -37.00700 -17.95600 1.000 68.89177  ? 397 LYS A NZ   1 
ATOM   1149 H  H    . LYS A 1 78  ? -10.73900 -30.00200 -17.42000 1.000 49.57391  ? 397 LYS A H    1 
ATOM   1150 H  HA   . LYS A 1 78  ? -11.45000 -32.45000 -16.47500 1.000 47.66908  ? 397 LYS A HA   1 
ATOM   1151 H  HB2  . LYS A 1 78  ? -10.29000 -33.03600 -18.41700 1.000 53.48156  ? 397 LYS A HB2  1 
ATOM   1152 H  HB3  . LYS A 1 78  ? -9.03500  -32.26300 -17.90800 1.000 53.48156  ? 397 LYS A HB3  1 
ATOM   1153 H  HG2  . LYS A 1 78  ? -8.82300  -33.76200 -16.10700 1.000 67.92787  ? 397 LYS A HG2  1 
ATOM   1154 H  HG3  . LYS A 1 78  ? -10.10500 -34.51900 -16.57100 1.000 67.92787  ? 397 LYS A HG3  1 
ATOM   1155 H  HD2  . LYS A 1 78  ? -9.02100  -35.18500 -18.50800 1.000 71.88127  ? 397 LYS A HD2  1 
ATOM   1156 H  HD3  . LYS A 1 78  ? -7.74200  -34.41000 -18.06500 1.000 71.88127  ? 397 LYS A HD3  1 
ATOM   1157 H  HE2  . LYS A 1 78  ? -7.45300  -35.91300 -16.27100 1.000 64.18096  ? 397 LYS A HE2  1 
ATOM   1158 H  HE3  . LYS A 1 78  ? -8.73300  -36.68800 -16.71400 1.000 64.18096  ? 397 LYS A HE3  1 
ATOM   1159 H  HZ1  . LYS A 1 78  ? -6.55400  -37.45700 -17.48100 1.000 82.73765  ? 397 LYS A HZ1  1 
ATOM   1160 H  HZ2  . LYS A 1 78  ? -7.68400  -37.58100 -18.38700 1.000 82.73765  ? 397 LYS A HZ2  1 
ATOM   1161 H  HZ3  . LYS A 1 78  ? -6.74300  -36.48500 -18.54500 1.000 82.73765  ? 397 LYS A HZ3  1 
ATOM   1162 N  N    . LEU A 1 79  ? -10.11900 -32.00300 -14.39100 1.000 41.87753  ? 398 LEU A N    1 
ATOM   1163 C  CA   . LEU A 1 79  ? -9.47200  -31.60100 -13.14300 1.000 35.44369  ? 398 LEU A CA   1 
ATOM   1164 C  C    . LEU A 1 79  ? -8.63600  -32.75300 -12.58700 1.000 36.98030  ? 398 LEU A C    1 
ATOM   1165 O  O    . LEU A 1 79  ? -8.93600  -33.92300 -12.83000 1.000 39.01993  ? 398 LEU A O    1 
ATOM   1166 C  CB   . LEU A 1 79  ? -10.50800 -31.17300 -12.10000 1.000 36.36330  ? 398 LEU A CB   1 
ATOM   1167 C  CG   . LEU A 1 79  ? -11.41900 -30.00700 -12.51800 1.000 34.89434  ? 398 LEU A CG   1 
ATOM   1168 C  CD1  . LEU A 1 79  ? -12.50200 -29.79900 -11.48200 1.000 36.47649  ? 398 LEU A CD1  1 
ATOM   1169 C  CD2  . LEU A 1 79  ? -10.62500 -28.74300 -12.71200 1.000 31.04273  ? 398 LEU A CD2  1 
ATOM   1170 H  H    . LEU A 1 79  ? -10.63400 -32.68700 -14.30900 1.000 50.32057  ? 398 LEU A H    1 
ATOM   1171 H  HA   . LEU A 1 79  ? -8.89500  -30.84500 -13.33600 1.000 42.59996  ? 398 LEU A HA   1 
ATOM   1172 H  HB2  . LEU A 1 79  ? -11.06500 -31.93800 -11.88600 1.000 43.70349  ? 398 LEU A HB2  1 
ATOM   1173 H  HB3  . LEU A 1 79  ? -10.04200 -30.92400 -11.28600 1.000 43.70349  ? 398 LEU A HB3  1 
ATOM   1174 H  HG   . LEU A 1 79  ? -11.83300 -30.23100 -13.36600 1.000 41.94075  ? 398 LEU A HG   1 
ATOM   1175 H  HD11 . LEU A 1 79  ? -13.07200 -29.06200 -11.75300 1.000 43.83933  ? 398 LEU A HD11 1 
ATOM   1176 H  HD12 . LEU A 1 79  ? -13.03400 -30.60600 -11.40300 1.000 43.83933  ? 398 LEU A HD12 1 
ATOM   1177 H  HD13 . LEU A 1 79  ? -12.09600 -29.59500 -10.62500 1.000 43.83933  ? 398 LEU A HD13 1 
ATOM   1178 H  HD21 . LEU A 1 79  ? -11.22000 -28.02400 -12.97500 1.000 37.31881  ? 398 LEU A HD21 1 
ATOM   1179 H  HD22 . LEU A 1 79  ? -10.18200 -28.50800 -11.88200 1.000 37.31881  ? 398 LEU A HD22 1 
ATOM   1180 H  HD23 . LEU A 1 79  ? -9.96000  -28.88100 -13.40500 1.000 37.31881  ? 398 LEU A HD23 1 
ATOM   1181 N  N    . SER A 1 80  ? -7.59000  -32.40600 -11.83300 1.000 33.98885  ? 399 SER A N    1 
ATOM   1182 C  CA   . SER A 1 80  ? -6.69700  -33.35300 -11.18100 1.000 34.50599  ? 399 SER A CA   1 
ATOM   1183 C  C    . SER A 1 80  ? -6.73300  -33.16400 -9.67100  1.000 36.33690  ? 399 SER A C    1 
ATOM   1184 O  O    . SER A 1 80  ? -7.04200  -32.07000 -9.19500  1.000 33.30307  ? 399 SER A O    1 
ATOM   1185 C  CB   . SER A 1 80  ? -5.25700  -33.18400 -11.68300 1.000 30.62638  ? 399 SER A CB   1 
ATOM   1186 O  OG   . SER A 1 80  ? -5.17800  -33.39300 -13.08200 1.000 38.00017  ? 399 SER A OG   1 
ATOM   1187 H  H    . SER A 1 80  ? -7.37800  -31.58600 -11.68500 1.000 40.85416  ? 399 SER A H    1 
ATOM   1188 H  HA   . SER A 1 80  ? -7.00200  -34.24700 -11.40000 1.000 41.47472  ? 399 SER A HA   1 
ATOM   1189 H  HB2  . SER A 1 80  ? -4.93800  -32.29400 -11.46700 1.000 36.81918  ? 399 SER A HB2  1 
ATOM   1190 H  HB3  . SER A 1 80  ? -4.67600  -33.81200 -11.22600 1.000 36.81918  ? 399 SER A HB3  1 
ATOM   1191 H  HG   . SER A 1 80  ? -4.38300  -33.29400 -13.33600 1.000 45.66774  ? 399 SER A HG   1 
ATOM   1192 N  N    . PRO A 1 81  ? -6.41300  -34.20200 -8.89700  1.000 34.40278  ? 400 PRO A N    1 
ATOM   1193 C  CA   . PRO A 1 81  ? -6.38300  -34.07500 -7.43200  1.000 39.73502  ? 400 PRO A CA   1 
ATOM   1194 C  C    . PRO A 1 81  ? -5.06300  -33.51000 -6.92400  1.000 33.80105  ? 400 PRO A C    1 
ATOM   1195 O  O    . PRO A 1 81  ? -4.07400  -33.38200 -7.64300  1.000 35.42119  ? 400 PRO A O    1 
ATOM   1196 C  CB   . PRO A 1 81  ? -6.55900  -35.51500 -6.95200  1.000 41.11093  ? 400 PRO A CB   1 
ATOM   1197 C  CG   . PRO A 1 81  ? -5.90400  -36.33100 -8.07900  1.000 40.53245  ? 400 PRO A CG   1 
ATOM   1198 C  CD   . PRO A 1 81  ? -6.27500  -35.60500 -9.34000  1.000 36.30567  ? 400 PRO A CD   1 
ATOM   1199 H  HA   . PRO A 1 81  ? -7.06300  -33.46300 -7.10800  1.000 47.74956  ? 400 PRO A HA   1 
ATOM   1200 H  HB2  . PRO A 1 81  ? -6.12400  -35.66600 -6.09800  1.000 49.40065  ? 400 PRO A HB2  1 
ATOM   1201 H  HB3  . PRO A 1 81  ? -7.49400  -35.74500 -6.83800  1.000 49.40065  ? 400 PRO A HB3  1 
ATOM   1202 H  HG2  . PRO A 1 81  ? -4.94100  -36.37600 -7.96800  1.000 48.70647  ? 400 PRO A HG2  1 
ATOM   1203 H  HG3  . PRO A 1 81  ? -6.23100  -37.24400 -8.08900  1.000 48.70647  ? 400 PRO A HG3  1 
ATOM   1204 H  HD2  . PRO A 1 81  ? -5.59100  -35.69900 -10.02200 1.000 43.63434  ? 400 PRO A HD2  1 
ATOM   1205 H  HD3  . PRO A 1 81  ? -7.10100  -35.94400 -9.71800  1.000 43.63434  ? 400 PRO A HD3  1 
ATOM   1206 N  N    . ILE A 1 82  ? -5.07500  -33.14800 -5.64400  1.000 36.91624  ? 401 ILE A N    1 
ATOM   1207 C  CA   . ILE A 1 82  ? -3.86400  -32.89000 -4.88100  1.000 34.67630  ? 401 ILE A CA   1 
ATOM   1208 C  C    . ILE A 1 82  ? -4.01000  -33.64000 -3.56200  1.000 35.94260  ? 401 ILE A C    1 
ATOM   1209 O  O    . ILE A 1 82  ? -5.08500  -34.13100 -3.21800  1.000 39.86917  ? 401 ILE A O    1 
ATOM   1210 C  CB   . ILE A 1 82  ? -3.59400  -31.38800 -4.62800  1.000 41.65218  ? 401 ILE A CB   1 
ATOM   1211 C  CG1  . ILE A 1 82  ? -4.63100  -30.79300 -3.66400  1.000 38.05546  ? 401 ILE A CG1  1 
ATOM   1212 C  CG2  . ILE A 1 82  ? -3.53200  -30.61000 -5.93800  1.000 38.12742  ? 401 ILE A CG2  1 
ATOM   1213 C  CD1  . ILE A 1 82  ? -4.18700  -29.47400 -3.05000  1.000 38.44698  ? 401 ILE A CD1  1 
ATOM   1214 H  H    . ILE A 1 82  ? -5.79800  -33.04500 -5.19000  1.000 44.36702  ? 401 ILE A H    1 
ATOM   1215 H  HA   . ILE A 1 82  ? -3.09900  -33.19600 -5.39300  1.000 41.67909  ? 401 ILE A HA   1 
ATOM   1216 H  HB   . ILE A 1 82  ? -2.72500  -31.30900 -4.20400  1.000 50.05015  ? 401 ILE A HB   1 
ATOM   1217 H  HG12 . ILE A 1 82  ? -5.46600  -30.65800 -4.13900  1.000 45.73408  ? 401 ILE A HG12 1 
ATOM   1218 H  HG13 . ILE A 1 82  ? -4.80800  -31.43000 -2.95500  1.000 45.73408  ? 401 ILE A HG13 1 
ATOM   1219 H  HG21 . ILE A 1 82  ? -3.36200  -29.67400 -5.75100  1.000 45.82043  ? 401 ILE A HG21 1 
ATOM   1220 H  HG22 . ILE A 1 82  ? -2.81800  -30.96300 -6.49100  1.000 45.82043  ? 401 ILE A HG22 1 
ATOM   1221 H  HG23 . ILE A 1 82  ? -4.37700  -30.69700 -6.40700  1.000 45.82043  ? 401 ILE A HG23 1 
ATOM   1222 H  HD11 . ILE A 1 82  ? -4.87700  -29.14600 -2.45300  1.000 46.20391  ? 401 ILE A HD11 1 
ATOM   1223 H  HD12 . ILE A 1 82  ? -3.36600  -29.60900 -2.55100  1.000 46.20391  ? 401 ILE A HD12 1 
ATOM   1224 H  HD13 . ILE A 1 82  ? -4.03400  -28.82400 -3.75400  1.000 46.20391  ? 401 ILE A HD13 1 
ATOM   1225 N  N    . SER A 1 83  ? -2.89700  -33.77700 -2.85200  1.000 39.79686  ? 402 SER A N    1 
ATOM   1226 C  CA   . SER A 1 83  ? -2.91600  -34.36600 -1.51700  1.000 39.84076  ? 402 SER A CA   1 
ATOM   1227 C  C    . SER A 1 83  ? -3.01500  -33.24400 -0.49200  1.000 47.93953  ? 402 SER A C    1 
ATOM   1228 O  O    . SER A 1 83  ? -2.36800  -32.21200 -0.64300  1.000 41.79328  ? 402 SER A O    1 
ATOM   1229 C  CB   . SER A 1 83  ? -1.64500  -35.17400 -1.25300  1.000 41.43889  ? 402 SER A CB   1 
ATOM   1230 O  OG   . SER A 1 83  ? -1.57100  -36.33300 -2.06600  1.000 42.46611  ? 402 SER A OG   1 
ATOM   1231 H  H    . SER A 1 83  ? -2.11800  -33.53500 -3.12500  1.000 47.82376  ? 402 SER A H    1 
ATOM   1232 H  HA   . SER A 1 83  ? -3.67700  -34.96400 -1.44900  1.000 47.87645  ? 402 SER A HA   1 
ATOM   1233 H  HB2  . SER A 1 83  ? -0.86900  -34.61600 -1.41600  1.000 49.79421  ? 402 SER A HB2  1 
ATOM   1234 H  HB3  . SER A 1 83  ? -1.61600  -35.43300 -0.31900  1.000 49.79421  ? 402 SER A HB3  1 
ATOM   1235 H  HG   . SER A 1 83  ? -2.22300  -36.83500 -1.89800  1.000 51.02687  ? 402 SER A HG   1 
ATOM   1236 N  N    . VAL A 1 84  ? -3.80200  -33.44000 0.56400   1.000 46.93166  ? 403 VAL A N    1 
ATOM   1237 C  CA   . VAL A 1 84  ? -3.88300  -32.43900 1.62500   1.000 47.59145  ? 403 VAL A CA   1 
ATOM   1238 C  C    . VAL A 1 84  ? -3.77100  -33.11000 2.98600   1.000 54.94185  ? 403 VAL A C    1 
ATOM   1239 O  O    . VAL A 1 84  ? -4.26100  -34.22600 3.19000   1.000 61.92608  ? 403 VAL A O    1 
ATOM   1240 C  CB   . VAL A 1 84  ? -5.17600  -31.59800 1.55200   1.000 45.64380  ? 403 VAL A CB   1 
ATOM   1241 C  CG1  . VAL A 1 84  ? -5.14000  -30.66900 0.34200   1.000 59.48118  ? 403 VAL A CG1  1 
ATOM   1242 C  CG2  . VAL A 1 84  ? -6.39900  -32.49200 1.51900   1.000 63.02524  ? 403 VAL A CG2  1 
ATOM   1243 H  H    . VAL A 1 84  ? -4.29100  -34.13700 0.68500   1.000 56.38552  ? 403 VAL A H    1 
ATOM   1244 H  HA   . VAL A 1 84  ? -3.14000  -31.82900 1.49800   1.000 57.17727  ? 403 VAL A HA   1 
ATOM   1245 H  HB   . VAL A 1 84  ? -5.23200  -31.05100 2.35100   1.000 54.84010  ? 403 VAL A HB   1 
ATOM   1246 H  HG11 . VAL A 1 84  ? -5.95800  -30.14800 0.30900   1.000 71.44495  ? 403 VAL A HG11 1 
ATOM   1247 H  HG12 . VAL A 1 84  ? -4.37900  -30.07200 0.41500   1.000 71.44495  ? 403 VAL A HG12 1 
ATOM   1248 H  HG13 . VAL A 1 84  ? -5.06000  -31.19600 -0.46900  1.000 71.44495  ? 403 VAL A HG13 1 
ATOM   1249 H  HG21 . VAL A 1 84  ? -7.19900  -31.94500 1.47300   1.000 75.69782  ? 403 VAL A HG21 1 
ATOM   1250 H  HG22 . VAL A 1 84  ? -6.35700  -33.06900 0.74000   1.000 75.69782  ? 403 VAL A HG22 1 
ATOM   1251 H  HG23 . VAL A 1 84  ? -6.42500  -33.03500 2.32200   1.000 75.69782  ? 403 VAL A HG23 1 
ATOM   1252 N  N    . LEU A 1 85  ? -3.12400  -32.41400 3.91800   1.000 53.97113  ? 404 LEU A N    1 
ATOM   1253 C  CA   . LEU A 1 85  ? -3.04200  -32.82900 5.31400   1.000 60.04698  ? 404 LEU A CA   1 
ATOM   1254 C  C    . LEU A 1 85  ? -4.07400  -32.02900 6.09900   1.000 67.24597  ? 404 LEU A C    1 
ATOM   1255 O  O    . LEU A 1 85  ? -3.93200  -30.81200 6.25900   1.000 64.86775  ? 404 LEU A O    1 
ATOM   1256 C  CB   . LEU A 1 85  ? -1.63800  -32.60600 5.86500   1.000 56.25565  ? 404 LEU A CB   1 
ATOM   1257 C  CG   . LEU A 1 85  ? -1.44500  -32.97900 7.33700   1.000 60.98959  ? 404 LEU A CG   1 
ATOM   1258 C  CD1  . LEU A 1 85  ? -1.75200  -34.44800 7.55100   1.000 63.59623  ? 404 LEU A CD1  1 
ATOM   1259 C  CD2  . LEU A 1 85  ? -0.03600  -32.65300 7.78900   1.000 62.48437  ? 404 LEU A CD2  1 
ATOM   1260 H  H    . LEU A 1 85  ? -2.71400  -31.67600 3.75300   1.000 64.83289  ? 404 LEU A H    1 
ATOM   1261 H  HA   . LEU A 1 85  ? -3.22800  -33.77800 5.39400   1.000 72.12391  ? 404 LEU A HA   1 
ATOM   1262 H  HB2  . LEU A 1 85  ? -1.01200  -33.12000 5.33200   1.000 67.57431  ? 404 LEU A HB2  1 
ATOM   1263 H  HB3  . LEU A 1 85  ? -1.40700  -31.67100 5.75100   1.000 67.57431  ? 404 LEU A HB3  1 
ATOM   1264 H  HG   . LEU A 1 85  ? -2.06200  -32.45600 7.87300   1.000 73.22026  ? 404 LEU A HG   1 
ATOM   1265 H  HD11 . LEU A 1 85  ? -1.62600  -34.67200 8.48600   1.000 76.38301  ? 404 LEU A HD11 1 
ATOM   1266 H  HD12 . LEU A 1 85  ? -2.67100  -34.62700 7.29700   1.000 76.38301  ? 404 LEU A HD12 1 
ATOM   1267 H  HD13 . LEU A 1 85  ? -1.15600  -34.98600 7.00700   1.000 76.38301  ? 404 LEU A HD13 1 
ATOM   1268 H  HD21 . LEU A 1 85  ? 0.06900   -32.89500 8.72200   1.000 74.64358  ? 404 LEU A HD21 1 
ATOM   1269 H  HD22 . LEU A 1 85  ? 0.60000   -33.15200 7.25300   1.000 74.64358  ? 404 LEU A HD22 1 
ATOM   1270 H  HD23 . LEU A 1 85  ? 0.12700   -31.70300 7.68200   1.000 74.64358  ? 404 LEU A HD23 1 
ATOM   1271 N  N    . TYR A 1 86  ? -5.11300  -32.70500 6.57900   1.000 72.00733  ? 405 TYR A N    1 
ATOM   1272 C  CA   . TYR A 1 86  ? -6.20500  -32.05100 7.28100   1.000 80.90148  ? 405 TYR A CA   1 
ATOM   1273 C  C    . TYR A 1 86  ? -6.34700  -32.61100 8.68800   1.000 84.21989  ? 405 TYR A C    1 
ATOM   1274 O  O    . TYR A 1 86  ? -6.02900  -33.77500 8.95000   1.000 82.07777  ? 405 TYR A O    1 
ATOM   1275 C  CB   . TYR A 1 86  ? -7.53100  -32.20800 6.52400   1.000 76.09549  ? 405 TYR A CB   1 
ATOM   1276 C  CG   . TYR A 1 86  ? -8.13900  -33.59000 6.59500   1.000 76.98288  ? 405 TYR A CG   1 
ATOM   1277 C  CD1  . TYR A 1 86  ? -7.79200  -34.56900 5.67500   1.000 70.17049  ? 405 TYR A CD1  1 
ATOM   1278 C  CD2  . TYR A 1 86  ? -9.07500  -33.91000 7.57100   1.000 79.19991  ? 405 TYR A CD2  1 
ATOM   1279 C  CE1  . TYR A 1 86  ? -8.35100  -35.83300 5.73000   1.000 76.47233  ? 405 TYR A CE1  1 
ATOM   1280 C  CE2  . TYR A 1 86  ? -9.63800  -35.17000 7.63500   1.000 83.53663  ? 405 TYR A CE2  1 
ATOM   1281 C  CZ   . TYR A 1 86  ? -9.27300  -36.12800 6.71100   1.000 83.18209  ? 405 TYR A CZ   1 
ATOM   1282 O  OH   . TYR A 1 86  ? -9.83100  -37.38400 6.76800   1.000 96.98805  ? 405 TYR A OH   1 
ATOM   1283 H  H    . TYR A 1 86  ? -5.20200  -33.55700 6.50500   1.000 86.47633  ? 405 TYR A H    1 
ATOM   1284 H  HA   . TYR A 1 86  ? -5.99300  -31.10600 7.33300   1.000 97.14931  ? 405 TYR A HA   1 
ATOM   1285 H  HB2  . TYR A 1 86  ? -8.16900  -31.56900 6.87800   1.000 91.38212  ? 405 TYR A HB2  1 
ATOM   1286 H  HB3  . TYR A 1 86  ? -7.38700  -31.97900 5.59300   1.000 91.38212  ? 405 TYR A HB3  1 
ATOM   1287 H  HD1  . TYR A 1 86  ? -7.17300  -34.37200 5.01000   1.000 84.27212  ? 405 TYR A HD1  1 
ATOM   1288 H  HD2  . TYR A 1 86  ? -9.32700  -33.26500 8.19200   1.000 95.10742  ? 405 TYR A HD2  1 
ATOM   1289 H  HE1  . TYR A 1 86  ? -8.10600  -36.48000 5.10900   1.000 91.83432  ? 405 TYR A HE1  1 
ATOM   1290 H  HE2  . TYR A 1 86  ? -10.25900 -35.37100 8.29700   1.000 100.31149 ? 405 TYR A HE2  1 
ATOM   1291 H  HH   . TYR A 1 86  ? -9.55000  -37.84500 6.12400   1.000 116.45319 ? 405 TYR A HH   1 
ATOM   1292 N  N    . LYS A 1 87  ? -6.82900  -31.76400 9.59200   1.000 88.52424  ? 406 LYS A N    1 
ATOM   1293 C  CA   . LYS A 1 87  ? -7.10900  -32.18100 10.95700  1.000 97.85763  ? 406 LYS A CA   1 
ATOM   1294 C  C    . LYS A 1 87  ? -8.49600  -32.80800 11.03000  1.000 99.42193  ? 406 LYS A C    1 
ATOM   1295 O  O    . LYS A 1 87  ? -9.47000  -32.24700 10.51800  1.000 89.13769  ? 406 LYS A O    1 
ATOM   1296 C  CB   . LYS A 1 87  ? -7.00500  -30.98800 11.90600  1.000 108.24700 ? 406 LYS A CB   1 
ATOM   1297 C  CG   . LYS A 1 87  ? -7.71200  -29.73500 11.40900  1.000 101.55374 ? 406 LYS A CG   1 
ATOM   1298 C  CD   . LYS A 1 87  ? -7.56000  -28.58100 12.38800  1.000 105.69161 ? 406 LYS A CD   1 
ATOM   1299 C  CE   . LYS A 1 87  ? -6.10400  -28.16800 12.53700  1.000 97.62614  ? 406 LYS A CE   1 
ATOM   1300 N  NZ   . LYS A 1 87  ? -5.94000  -27.04300 13.49800  1.000 103.26816 ? 406 LYS A NZ   1 
ATOM   1301 H  H    . LYS A 1 87  ? -7.00100  -30.93700 9.43100   1.000 106.29662 ? 406 LYS A H    1 
ATOM   1302 H  HA   . LYS A 1 87  ? -6.45400  -32.84300 11.22900  1.000 117.49669 ? 406 LYS A HA   1 
ATOM   1303 H  HB2  . LYS A 1 87  ? -7.37700  -31.23800 12.76600  1.000 129.96393 ? 406 LYS A HB2  1 
ATOM   1304 H  HB3  . LYS A 1 87  ? -6.06800  -30.78300 12.05100  1.000 129.96393 ? 406 LYS A HB3  1 
ATOM   1305 H  HG2  . LYS A 1 87  ? -7.35000  -29.47900 10.54700  1.000 121.93202 ? 406 LYS A HG2  1 
ATOM   1306 H  HG3  . LYS A 1 87  ? -8.65400  -29.92500 11.27600  1.000 121.93202 ? 406 LYS A HG3  1 
ATOM   1307 H  HD2  . LYS A 1 87  ? -8.08300  -27.82400 12.08200  1.000 126.89747 ? 406 LYS A HD2  1 
ATOM   1308 H  HD3  . LYS A 1 87  ? -7.91500  -28.84000 13.25300  1.000 126.89747 ? 406 LYS A HD3  1 
ATOM   1309 H  HE2  . LYS A 1 87  ? -5.58200  -28.92800 12.83800  1.000 117.21890 ? 406 LYS A HE2  1 
ATOM   1310 H  HE3  . LYS A 1 87  ? -5.75200  -27.90700 11.67100  1.000 117.21890 ? 406 LYS A HE3  1 
ATOM   1311 H  HZ1  . LYS A 1 87  ? -5.27100  -26.52000 13.23100  1.000 123.98933 ? 406 LYS A HZ1  1 
ATOM   1312 H  HZ2  . LYS A 1 87  ? -6.69200  -26.56900 13.53100  1.000 123.98933 ? 406 LYS A HZ2  1 
ATOM   1313 H  HZ3  . LYS A 1 87  ? -5.75800  -27.36700 14.30700  1.000 123.98933 ? 406 LYS A HZ3  1 
ATOM   1314 N  N    . ASP A 1 88  ? -8.58200  -33.97900 11.66200  1.000 106.60781 ? 407 ASP A N    1 
ATOM   1315 C  CA   . ASP A 1 88  ? -9.85300  -34.68600 11.77800  1.000 109.70848 ? 407 ASP A CA   1 
ATOM   1316 C  C    . ASP A 1 88  ? -10.55500 -34.26600 13.06300  1.000 116.46814 ? 407 ASP A C    1 
ATOM   1317 O  O    . ASP A 1 88  ? -10.08800 -33.36500 13.76800  1.000 119.55544 ? 407 ASP A O    1 
ATOM   1318 C  CB   . ASP A 1 88  ? -9.61700  -36.19100 11.92800  1.000 108.99365 ? 407 ASP A CB   1 
ATOM   1319 C  CG   . ASP A 1 88  ? -8.68500  -36.52700 13.07700  1.000 121.48352 ? 407 ASP A CG   1 
ATOM   1320 O  OD1  . ASP A 1 88  ? -8.20500  -35.59200 13.75200  1.000 126.43327 ? 407 ASP A OD1  1 
ATOM   1321 O  OD2  . ASP A 1 88  ? -8.43200  -37.72800 13.30500  1.000 123.89780 ? 407 ASP A OD2  1 
ATOM   1322 H  H    . ASP A 1 88  ? -7.91500  -34.37900 12.03000  1.000 127.99690 ? 407 ASP A H    1 
ATOM   1323 H  HA   . ASP A 1 88  ? -10.37200 -34.48100 10.98500  1.000 131.71771 ? 407 ASP A HA   1 
ATOM   1324 H  HB2  . ASP A 1 88  ? -10.46800 -36.63600 12.06600  1.000 130.85992 ? 407 ASP A HB2  1 
ATOM   1325 H  HB3  . ASP A 1 88  ? -9.24500  -36.54000 11.10300  1.000 130.85992 ? 407 ASP A HB3  1 
ATOM   1326 N  N    . ASP A 1 89  ? -11.67800 -34.91400 13.37700  1.000 123.51147 ? 408 ASP A N    1 
ATOM   1327 C  CA   . ASP A 1 89  ? -12.49900 -34.50600 14.51000  1.000 129.54936 ? 408 ASP A CA   1 
ATOM   1328 C  C    . ASP A 1 89  ? -11.78500 -34.67000 15.84500  1.000 137.02351 ? 408 ASP A C    1 
ATOM   1329 O  O    . ASP A 1 89  ? -12.30200 -34.19900 16.86400  1.000 147.24546 ? 408 ASP A O    1 
ATOM   1330 C  CB   . ASP A 1 89  ? -13.80800 -35.29700 14.52300  1.000 131.05284 ? 408 ASP A CB   1 
ATOM   1331 C  CG   . ASP A 1 89  ? -14.67700 -35.00300 13.31500  1.000 126.90152 ? 408 ASP A CG   1 
ATOM   1332 O  OD1  . ASP A 1 89  ? -14.60100 -33.87400 12.78600  1.000 119.43754 ? 408 ASP A OD1  1 
ATOM   1333 O  OD2  . ASP A 1 89  ? -15.43700 -35.90100 12.89600  1.000 127.23465 ? 408 ASP A OD2  1 
ATOM   1334 H  H    . ASP A 1 89  ? -11.98000 -35.59300 12.94400  1.000 148.28129 ? 408 ASP A H    1 
ATOM   1335 H  HA   . ASP A 1 89  ? -12.68300 -33.56000 14.39700  1.000 155.52676 ? 408 ASP A HA   1 
ATOM   1336 H  HB2  . ASP A 1 89  ? -13.60900 -36.24600 14.55100  1.000 157.33094 ? 408 ASP A HB2  1 
ATOM   1337 H  HB3  . ASP A 1 89  ? -14.30100 -35.08700 15.33100  1.000 157.33094 ? 408 ASP A HB3  1 
ATOM   1338 N  N    . MET A 1 90  ? -10.62200 -35.31800 15.86600  1.000 158.40082 ? 409 MET A N    1 
ATOM   1339 C  CA   . MET A 1 90  ? -9.84600  -35.50700 17.08400  1.000 165.96894 ? 409 MET A CA   1 
ATOM   1340 C  C    . MET A 1 90  ? -8.61200  -34.61500 17.13000  1.000 164.79336 ? 409 MET A C    1 
ATOM   1341 O  O    . MET A 1 90  ? -7.77500  -34.77600 18.02500  1.000 167.15239 ? 409 MET A O    1 
ATOM   1342 C  CB   . MET A 1 90  ? -9.43600  -36.97500 17.22500  1.000 166.82981 ? 409 MET A CB   1 
ATOM   1343 C  CG   . MET A 1 90  ? -10.59900 -37.92400 17.46500  1.000 173.88085 ? 409 MET A CG   1 
ATOM   1344 S  SD   . MET A 1 90  ? -10.06500 -39.63000 17.71200  1.000 185.62946 ? 409 MET A SD   1 
ATOM   1345 C  CE   . MET A 1 90  ? -9.67900  -40.11000 16.03100  1.000 165.29574 ? 409 MET A CE   1 
ATOM   1346 H  H    . MET A 1 90  ? -10.26000 -35.66200 15.16600  1.000 190.14852 ? 409 MET A H    1 
ATOM   1347 H  HA   . MET A 1 90  ? -10.41400 -35.25300 17.82800  1.000 199.23026 ? 409 MET A HA   1 
ATOM   1348 H  HB2  . MET A 1 90  ? -8.96800  -37.24900 16.42000  1.000 200.26330 ? 409 MET A HB2  1 
ATOM   1349 H  HB3  . MET A 1 90  ? -8.80800  -37.05600 17.96000  1.000 200.26330 ? 409 MET A HB3  1 
ATOM   1350 H  HG2  . MET A 1 90  ? -11.09700 -37.62900 18.24300  1.000 208.72455 ? 409 MET A HG2  1 
ATOM   1351 H  HG3  . MET A 1 90  ? -11.20500 -37.88500 16.70900  1.000 208.72455 ? 409 MET A HG3  1 
ATOM   1352 H  HE1  . MET A 1 90  ? -9.37200  -41.03000 16.01900  1.000 198.42242 ? 409 MET A HE1  1 
ATOM   1353 H  HE2  . MET A 1 90  ? -10.47300 -40.02800 15.48000  1.000 198.42242 ? 409 MET A HE2  1 
ATOM   1354 H  HE3  . MET A 1 90  ? -8.98300  -39.53200 15.68100  1.000 198.42242 ? 409 MET A HE3  1 
ATOM   1355 N  N    . GLY A 1 91  ? -8.47800  -33.68100 16.19000  1.000 177.91460 ? 410 GLY A N    1 
ATOM   1356 C  CA   . GLY A 1 91  ? -7.30600  -32.83200 16.14500  1.000 175.89402 ? 410 GLY A CA   1 
ATOM   1357 C  C    . GLY A 1 91  ? -6.04900  -33.52000 15.67000  1.000 170.14032 ? 410 GLY A C    1 
ATOM   1358 O  O    . GLY A 1 91  ? -4.94900  -33.01600 15.91000  1.000 169.81590 ? 410 GLY A O    1 
ATOM   1359 H  H    . GLY A 1 91  ? -9.05700  -33.52800 15.57300  1.000 213.56506 ? 410 GLY A H    1 
ATOM   1360 H  HA2  . GLY A 1 91  ? -7.48900  -32.07900 15.56100  1.000 211.14035 ? 410 GLY A HA2  1 
ATOM   1361 H  HA3  . GLY A 1 91  ? -7.14800  -32.47200 17.03200  1.000 211.14035 ? 410 GLY A HA3  1 
ATOM   1362 N  N    . VAL A 1 92  ? -6.17800  -34.65600 15.00300  1.000 121.95440 ? 411 VAL A N    1 
ATOM   1363 C  CA   . VAL A 1 92  ? -5.03800  -35.43700 14.52700  1.000 120.41666 ? 411 VAL A CA   1 
ATOM   1364 C  C    . VAL A 1 92  ? -4.84000  -35.14500 13.04400  1.000 105.91631 ? 411 VAL A C    1 
ATOM   1365 O  O    . VAL A 1 92  ? -5.79900  -35.27000 12.26900  1.000 97.57244  ? 411 VAL A O    1 
ATOM   1366 C  CB   . VAL A 1 92  ? -5.24800  -36.94400 14.76100  1.000 113.92903 ? 411 VAL A CB   1 
ATOM   1367 C  CG1  . VAL A 1 92  ? -4.14200  -37.74500 14.09200  1.000 114.67574 ? 411 VAL A CG1  1 
ATOM   1368 C  CG2  . VAL A 1 92  ? -5.30500  -37.24400 16.25100  1.000 126.68185 ? 411 VAL A CG2  1 
ATOM   1369 H  H    . VAL A 1 92  ? -6.94000  -35.00400 14.80900  1.000 146.41281 ? 411 VAL A H    1 
ATOM   1370 H  HA   . VAL A 1 92  ? -4.24600  -35.18200 15.02600  1.000 144.56753 ? 411 VAL A HA   1 
ATOM   1371 H  HB   . VAL A 1 92  ? -6.09400  -37.20500 14.36400  1.000 136.78237 ? 411 VAL A HB   1 
ATOM   1372 H  HG11 . VAL A 1 92  ? -4.28800  -38.69100 14.24800  1.000 137.67842 ? 411 VAL A HG11 1 
ATOM   1373 H  HG12 . VAL A 1 92  ? -4.14800  -37.57000 13.13800  1.000 137.67842 ? 411 VAL A HG12 1 
ATOM   1374 H  HG13 . VAL A 1 92  ? -3.28400  -37.48500 14.46300  1.000 137.67842 ? 411 VAL A HG13 1 
ATOM   1375 H  HG21 . VAL A 1 92  ? -5.43700  -38.19600 16.38500  1.000 152.08575 ? 411 VAL A HG21 1 
ATOM   1376 H  HG22 . VAL A 1 92  ? -4.47300  -36.97200 16.66800  1.000 152.08575 ? 411 VAL A HG22 1 
ATOM   1377 H  HG23 . VAL A 1 92  ? -6.04100  -36.75600 16.65200  1.000 152.08575 ? 411 VAL A HG23 1 
ATOM   1378 N  N    . PRO A 1 93  ? -3.64200  -34.74900 12.61500  1.000 102.36036 ? 412 PRO A N    1 
ATOM   1379 C  CA   . PRO A 1 93  ? -3.40000  -34.53500 11.18100  1.000 101.76881 ? 412 PRO A CA   1 
ATOM   1380 C  C    . PRO A 1 93  ? -3.60000  -35.82300 10.39800  1.000 93.94159  ? 412 PRO A C    1 
ATOM   1381 O  O    . PRO A 1 93  ? -2.97700  -36.85000 10.68200  1.000 85.90382  ? 412 PRO A O    1 
ATOM   1382 C  CB   . PRO A 1 93  ? -1.94300  -34.05900 11.13600  1.000 103.92584 ? 412 PRO A CB   1 
ATOM   1383 C  CG   . PRO A 1 93  ? -1.67900  -33.51200 12.50200  1.000 103.51911 ? 412 PRO A CG   1 
ATOM   1384 C  CD   . PRO A 1 93  ? -2.47800  -34.37300 13.43400  1.000 112.90338 ? 412 PRO A CD   1 
ATOM   1385 H  HA   . PRO A 1 93  ? -4.01100  -33.89800 10.77800  1.000 122.19011 ? 412 PRO A HA   1 
ATOM   1386 H  HB2  . PRO A 1 93  ? -1.34000  -34.78900 10.92700  1.000 124.77854 ? 412 PRO A HB2  1 
ATOM   1387 H  HB3  . PRO A 1 93  ? -1.81500  -33.38100 10.45400  1.000 124.77854 ? 412 PRO A HB3  1 
ATOM   1388 H  HG2  . PRO A 1 93  ? -0.73400  -33.54700 12.71700  1.000 124.29046 ? 412 PRO A HG2  1 
ATOM   1389 H  HG3  . PRO A 1 93  ? -1.95000  -32.58300 12.56500  1.000 124.29046 ? 412 PRO A HG3  1 
ATOM   1390 H  HD2  . PRO A 1 93  ? -1.97600  -35.15100 13.72500  1.000 135.55158 ? 412 PRO A HD2  1 
ATOM   1391 H  HD3  . PRO A 1 93  ? -2.74100  -33.89000 14.23300  1.000 135.55158 ? 412 PRO A HD3  1 
ATOM   1392 N  N    . THR A 1 94  ? -4.48600  -35.76400 9.41000   1.000 79.66652  ? 413 THR A N    1 
ATOM   1393 C  CA   . THR A 1 94  ? -4.80600  -36.90500 8.56500   1.000 80.33998  ? 413 THR A CA   1 
ATOM   1394 C  C    . THR A 1 94  ? -4.53800  -36.54000 7.11300   1.000 70.26540  ? 413 THR A C    1 
ATOM   1395 O  O    . THR A 1 94  ? -4.78200  -35.40300 6.69300   1.000 73.19528  ? 413 THR A O    1 
ATOM   1396 C  CB   . THR A 1 94  ? -6.26800  -37.33300 8.74300   1.000 79.89469  ? 413 THR A CB   1 
ATOM   1397 O  OG1  . THR A 1 94  ? -6.56700  -37.44100 10.14100  1.000 101.08545 ? 413 THR A OG1  1 
ATOM   1398 C  CG2  . THR A 1 94  ? -6.51700  -38.67800 8.08200   1.000 84.22531  ? 413 THR A CG2  1 
ATOM   1399 H  H    . THR A 1 94  ? -4.92300  -35.05100 9.21000   1.000 95.66735  ? 413 THR A H    1 
ATOM   1400 H  HA   . THR A 1 94  ? -4.24600  -37.65300 8.82400   1.000 96.47550  ? 413 THR A HA   1 
ATOM   1401 H  HB   . THR A 1 94  ? -6.83700  -36.66600 8.32800   1.000 95.94116  ? 413 THR A HB   1 
ATOM   1402 H  HG1  . THR A 1 94  ? -6.17500  -36.82700 10.56000  1.000 121.37007 ? 413 THR A HG1  1 
ATOM   1403 H  HG21 . THR A 1 94  ? -7.44500  -38.93200 8.20500   1.000 101.13791 ? 413 THR A HG21 1 
ATOM   1404 H  HG22 . THR A 1 94  ? -6.32200  -38.61400 7.13400   1.000 101.13791 ? 413 THR A HG22 1 
ATOM   1405 H  HG23 . THR A 1 94  ? -5.94300  -39.34800 8.48500   1.000 101.13791 ? 413 THR A HG23 1 
ATOM   1406 N  N    . LEU A 1 95  ? -4.02300  -37.50000 6.35100   1.000 61.18051  ? 414 LEU A N    1 
ATOM   1407 C  CA   . LEU A 1 95  ? -3.71500  -37.28000 4.94500   1.000 57.79896  ? 414 LEU A CA   1 
ATOM   1408 C  C    . LEU A 1 95  ? -4.91300  -37.64500 4.07800   1.000 56.74193  ? 414 LEU A C    1 
ATOM   1409 O  O    . LEU A 1 95  ? -5.47600  -38.73700 4.20800   1.000 61.91417  ? 414 LEU A O    1 
ATOM   1410 C  CB   . LEU A 1 95  ? -2.49700  -38.09900 4.51600   1.000 58.58820  ? 414 LEU A CB   1 
ATOM   1411 C  CG   . LEU A 1 95  ? -2.11900  -37.89400 3.04500   1.000 56.94968  ? 414 LEU A CG   1 
ATOM   1412 C  CD1  . LEU A 1 95  ? -1.47800  -36.53000 2.85100   1.000 52.77506  ? 414 LEU A CD1  1 
ATOM   1413 C  CD2  . LEU A 1 95  ? -1.21600  -39.00500 2.51800   1.000 54.26284  ? 414 LEU A CD2  1 
ATOM   1414 H  H    . LEU A 1 95  ? -3.84400  -38.29200 6.63400   1.000 73.48414  ? 414 LEU A H    1 
ATOM   1415 H  HA   . LEU A 1 95  ? -3.51000  -36.33900 4.82700   1.000 69.42628  ? 414 LEU A HA   1 
ATOM   1416 H  HB2  . LEU A 1 95  ? -1.74100  -37.86000 5.07400   1.000 70.37338  ? 414 LEU A HB2  1 
ATOM   1417 H  HB3  . LEU A 1 95  ? -2.67700  -39.04000 4.67000   1.000 70.37338  ? 414 LEU A HB3  1 
ATOM   1418 H  HG   . LEU A 1 95  ? -2.93700  -37.93200 2.52600   1.000 68.40715  ? 414 LEU A HG   1 
ATOM   1419 H  HD11 . LEU A 1 95  ? -1.24400  -36.41200 1.91700   1.000 63.39761  ? 414 LEU A HD11 1 
ATOM   1420 H  HD12 . LEU A 1 95  ? -2.10300  -35.83800 3.11700   1.000 63.39761  ? 414 LEU A HD12 1 
ATOM   1421 H  HD13 . LEU A 1 95  ? -0.67700  -36.46800 3.39500   1.000 63.39761  ? 414 LEU A HD13 1 
ATOM   1422 H  HD21 . LEU A 1 95  ? -1.00300  -38.83500 1.58700   1.000 65.18294  ? 414 LEU A HD21 1 
ATOM   1423 H  HD22 . LEU A 1 95  ? -0.39700  -39.03000 3.03700   1.000 65.18294  ? 414 LEU A HD22 1 
ATOM   1424 H  HD23 . LEU A 1 95  ? -1.67300  -39.85700 2.59400   1.000 65.18294  ? 414 LEU A HD23 1 
ATOM   1425 N  N    . LYS A 1 96  ? -5.29800  -36.73000 3.19500   1.000 54.87556  ? 415 LYS A N    1 
ATOM   1426 C  CA   . LYS A 1 96  ? -6.24700  -37.02500 2.12400   1.000 64.24436  ? 415 LYS A CA   1 
ATOM   1427 C  C    . LYS A 1 96  ? -5.42800  -37.13800 0.84400   1.000 50.55965  ? 415 LYS A C    1 
ATOM   1428 O  O    . LYS A 1 96  ? -5.04700  -36.12900 0.24900   1.000 54.37519  ? 415 LYS A O    1 
ATOM   1429 C  CB   . LYS A 1 96  ? -7.32300  -35.94900 2.02500   1.000 52.22696  ? 415 LYS A CB   1 
ATOM   1430 C  CG   . LYS A 1 96  ? -8.29300  -36.14900 0.87200   1.000 61.51177  ? 415 LYS A CG   1 
ATOM   1431 C  CD   . LYS A 1 96  ? -9.07100  -37.44500 1.02300   1.000 63.43677  ? 415 LYS A CD   1 
ATOM   1432 C  CE   . LYS A 1 96  ? -10.17200 -37.55300 -0.01900  1.000 63.14201  ? 415 LYS A CE   1 
ATOM   1433 N  NZ   . LYS A 1 96  ? -10.34000 -38.94900 -0.50800  1.000 67.83256  ? 415 LYS A NZ   1 
ATOM   1434 H  H    . LYS A 1 96  ? -5.01600  -35.91800 3.19900   1.000 65.91820  ? 415 LYS A H    1 
ATOM   1435 H  HA   . LYS A 1 96  ? -6.72500  -37.85200 2.29500   1.000 77.16076  ? 415 LYS A HA   1 
ATOM   1436 H  HB2  . LYS A 1 96  ? -7.82300  -35.92700 2.85600   1.000 62.73989  ? 415 LYS A HB2  1 
ATOM   1437 H  HB3  . LYS A 1 96  ? -6.89500  -35.08400 1.92900   1.000 62.73989  ? 415 LYS A HB3  1 
ATOM   1438 H  HG2  . LYS A 1 96  ? -8.91000  -35.40200 0.83300   1.000 73.88166  ? 415 LYS A HG2  1 
ATOM   1439 H  HG3  . LYS A 1 96  ? -7.80500  -36.15800 0.03400   1.000 73.88166  ? 415 LYS A HG3  1 
ATOM   1440 H  HD2  . LYS A 1 96  ? -8.46700  -38.19900 0.93800   1.000 76.19165  ? 415 LYS A HD2  1 
ATOM   1441 H  HD3  . LYS A 1 96  ? -9.45800  -37.49100 1.91100   1.000 76.19165  ? 415 LYS A HD3  1 
ATOM   1442 H  HE2  . LYS A 1 96  ? -11.00800 -37.24100 0.36100   1.000 75.83794  ? 415 LYS A HE2  1 
ATOM   1443 H  HE3  . LYS A 1 96  ? -9.96600  -36.97100 -0.76700  1.000 75.83794  ? 415 LYS A HE3  1 
ATOM   1444 H  HZ1  . LYS A 1 96  ? -10.12600 -38.98900 -1.37100  1.000 81.46660  ? 415 LYS A HZ1  1 
ATOM   1445 H  HZ2  . LYS A 1 96  ? -9.80800  -39.49200 -0.04500  1.000 81.46660  ? 415 LYS A HZ2  1 
ATOM   1446 H  HZ3  . LYS A 1 96  ? -11.18700 -39.20200 -0.40000  1.000 81.46660  ? 415 LYS A HZ3  1 
ATOM   1447 N  N    . TYR A 1 97  ? -5.15400  -38.37600 0.42400   1.000 54.24406  ? 416 TYR A N    1 
ATOM   1448 C  CA   . TYR A 1 97  ? -4.16900  -38.60300 -0.63000  1.000 52.10976  ? 416 TYR A CA   1 
ATOM   1449 C  C    . TYR A 1 97  ? -4.62000  -38.00500 -1.95800  1.000 46.94521  ? 416 TYR A C    1 
ATOM   1450 O  O    . TYR A 1 97  ? -3.84000  -37.33600 -2.64600  1.000 47.27349  ? 416 TYR A O    1 
ATOM   1451 C  CB   . TYR A 1 97  ? -3.89300  -40.10100 -0.77400  1.000 53.83108  ? 416 TYR A CB   1 
ATOM   1452 C  CG   . TYR A 1 97  ? -2.74200  -40.42000 -1.70100  1.000 57.93937  ? 416 TYR A CG   1 
ATOM   1453 C  CD1  . TYR A 1 97  ? -1.47600  -39.89600 -1.47200  1.000 49.94145  ? 416 TYR A CD1  1 
ATOM   1454 C  CD2  . TYR A 1 97  ? -2.91700  -41.25400 -2.79700  1.000 51.21014  ? 416 TYR A CD2  1 
ATOM   1455 C  CE1  . TYR A 1 97  ? -0.42000  -40.18500 -2.31400  1.000 49.82264  ? 416 TYR A CE1  1 
ATOM   1456 C  CE2  . TYR A 1 97  ? -1.86400  -41.55000 -3.64400  1.000 58.63976  ? 416 TYR A CE2  1 
ATOM   1457 C  CZ   . TYR A 1 97  ? -0.61800  -41.01400 -3.39700  1.000 48.83534  ? 416 TYR A CZ   1 
ATOM   1458 O  OH   . TYR A 1 97  ? 0.43200   -41.30400 -4.23700  1.000 47.49363  ? 416 TYR A OH   1 
ATOM   1459 H  H    . TYR A 1 97  ? -5.52400  -39.08800 0.73400   1.000 65.16041  ? 416 TYR A H    1 
ATOM   1460 H  HA   . TYR A 1 97  ? -3.34700  -38.15400 -0.37700  1.000 62.59924  ? 416 TYR A HA   1 
ATOM   1461 H  HB2  . TYR A 1 97  ? -3.70500  -40.47300 0.10200   1.000 64.66482  ? 416 TYR A HB2  1 
ATOM   1462 H  HB3  . TYR A 1 97  ? -4.69400  -40.53900 -1.10200  1.000 64.66482  ? 416 TYR A HB3  1 
ATOM   1463 H  HD1  . TYR A 1 97  ? -1.33700  -39.34100 -0.73900  1.000 59.99728  ? 416 TYR A HD1  1 
ATOM   1464 H  HD2  . TYR A 1 97  ? -3.75600  -41.62000 -2.96400  1.000 61.51970  ? 416 TYR A HD2  1 
ATOM   1465 H  HE1  . TYR A 1 97  ? 0.42100   -39.82200 -2.15100  1.000 59.85470  ? 416 TYR A HE1  1 
ATOM   1466 H  HE2  . TYR A 1 97  ? -1.99600  -42.10800 -4.37600  1.000 70.43524  ? 416 TYR A HE2  1 
ATOM   1467 H  HH   . TYR A 1 97  ? 0.13500   -41.53300 -4.98800  1.000 57.05989  ? 416 TYR A HH   1 
ATOM   1468 N  N    . HIS A 1 98  ? -5.87400  -38.23300 -2.33700  1.000 49.45198  ? 417 HIS A N    1 
ATOM   1469 C  CA   . HIS A 1 98  ? -6.43000  -37.71200 -3.58600  1.000 46.13233  ? 417 HIS A CA   1 
ATOM   1470 C  C    . HIS A 1 98  ? -7.63200  -36.82500 -3.25500  1.000 47.63856  ? 417 HIS A C    1 
ATOM   1471 O  O    . HIS A 1 98  ? -8.77400  -37.29100 -3.24400  1.000 50.45936  ? 417 HIS A O    1 
ATOM   1472 C  CB   . HIS A 1 98  ? -6.83500  -38.84900 -4.53900  1.000 47.78772  ? 417 HIS A CB   1 
ATOM   1473 C  CG   . HIS A 1 98  ? -5.67900  -39.61000 -5.11400  1.000 51.37807  ? 417 HIS A CG   1 
ATOM   1474 N  ND1  . HIS A 1 98  ? -4.50000  -39.00500 -5.49300  1.000 50.44097  ? 417 HIS A ND1  1 
ATOM   1475 C  CD2  . HIS A 1 98  ? -5.52800  -40.92900 -5.38200  1.000 55.59737  ? 417 HIS A CD2  1 
ATOM   1476 C  CE1  . HIS A 1 98  ? -3.67200  -39.91900 -5.96800  1.000 53.24352  ? 417 HIS A CE1  1 
ATOM   1477 N  NE2  . HIS A 1 98  ? -4.27100  -41.09400 -5.91100  1.000 54.66067  ? 417 HIS A NE2  1 
ATOM   1478 H  H    . HIS A 1 98  ? -6.43100  -38.69700 -1.87500  1.000 59.40991  ? 417 HIS A H    1 
ATOM   1479 H  HA   . HIS A 1 98  ? -5.75200  -37.18900 -4.04200  1.000 55.42633  ? 417 HIS A HA   1 
ATOM   1480 H  HB2  . HIS A 1 98  ? -7.41100  -39.46700 -4.06200  1.000 57.41279  ? 417 HIS A HB2  1 
ATOM   1481 H  HB3  . HIS A 1 98  ? -7.35800  -38.47700 -5.26600  1.000 57.41279  ? 417 HIS A HB3  1 
ATOM   1482 H  HD1  . HIS A 1 98  ? -4.33000  -38.16400 -5.43000  1.000 60.59670  ? 417 HIS A HD1  1 
ATOM   1483 H  HD2  . HIS A 1 98  ? -6.15700  -41.59800 -5.23500  1.000 66.78438  ? 417 HIS A HD2  1 
ATOM   1484 H  HE1  . HIS A 1 98  ? -2.81300  -39.76100 -6.28800  1.000 63.95975  ? 417 HIS A HE1  1 
ATOM   1485 N  N    . TYR A 1 99  ? -7.36500  -35.54200 -2.99500  1.000 46.03163  ? 418 TYR A N    1 
ATOM   1486 C  CA   . TYR A 1 99  ? -8.45200  -34.54600 -2.80300  1.000 47.23931  ? 418 TYR A CA   1 
ATOM   1487 C  C    . TYR A 1 99  ? -8.83600  -34.13300 -4.21700  1.000 44.38922  ? 418 TYR A C    1 
ATOM   1488 O  O    . TYR A 1 99  ? -8.13900  -33.31100 -4.79800  1.000 41.34196  ? 418 TYR A O    1 
ATOM   1489 C  CB   . TYR A 1 99  ? -7.99100  -33.37600 -1.93700  1.000 47.44991  ? 418 TYR A CB   1 
ATOM   1490 C  CG   . TYR A 1 99  ? -9.11000  -32.56700 -1.34100  1.000 51.96142  ? 418 TYR A CG   1 
ATOM   1491 C  CD1  . TYR A 1 99  ? -10.19100 -33.18500 -0.74100  1.000 57.05828  ? 418 TYR A CD1  1 
ATOM   1492 C  CD2  . TYR A 1 99  ? -9.09100  -31.18400 -1.38100  1.000 55.39307  ? 418 TYR A CD2  1 
ATOM   1493 C  CE1  . TYR A 1 99  ? -11.22700 -32.44900 -0.19400  1.000 69.54130  ? 418 TYR A CE1  1 
ATOM   1494 C  CE2  . TYR A 1 99  ? -10.11900 -30.43300 -0.84000  1.000 66.28575  ? 418 TYR A CE2  1 
ATOM   1495 C  CZ   . TYR A 1 99  ? -11.19000 -31.06800 -0.24300  1.000 66.31195  ? 418 TYR A CZ   1 
ATOM   1496 O  OH   . TYR A 1 99  ? -12.21600 -30.33700 0.29200   1.000 69.14926  ? 418 TYR A OH   1 
ATOM   1497 H  H    . TYR A 1 99  ? -6.57000  -35.22100 -2.92400  1.000 55.30548  ? 418 TYR A H    1 
ATOM   1498 H  HA   . TYR A 1 99  ? -9.21500  -34.90500 -2.32300  1.000 56.75470  ? 418 TYR A HA   1 
ATOM   1499 H  HB2  . TYR A 1 99  ? -7.43600  -33.71800 -1.21900  1.000 57.00742  ? 418 TYR A HB2  1 
ATOM   1500 H  HB3  . TYR A 1 99  ? -7.43300  -32.79100 -2.47300  1.000 57.00742  ? 418 TYR A HB3  1 
ATOM   1501 H  HD1  . TYR A 1 99  ? -10.22300 -34.11400 -0.70400  1.000 68.53747  ? 418 TYR A HD1  1 
ATOM   1502 H  HD2  . TYR A 1 99  ? -8.37200  -30.75000 -1.78000  1.000 66.53921  ? 418 TYR A HD2  1 
ATOM   1503 H  HE1  . TYR A 1 99  ? -11.94600 -32.88200 0.20600   1.000 83.51710  ? 418 TYR A HE1  1 
ATOM   1504 H  HE2  . TYR A 1 99  ? -10.08900 -29.50400 -0.87800  1.000 79.61043  ? 418 TYR A HE2  1 
ATOM   1505 H  HH   . TYR A 1 99  ? -11.97100 -30.00300 1.02300   1.000 83.04665  ? 418 TYR A HH   1 
ATOM   1506 N  N    . GLU A 1 100 ? -9.95400  -34.63700 -4.70600  1.000 46.50980  ? 419 GLU A N    1 
ATOM   1507 C  CA   . GLU A 1 100 ? -10.25600 -34.50400 -6.12700  1.000 44.81005  ? 419 GLU A CA   1 
ATOM   1508 C  C    . GLU A 1 100 ? -10.76300 -33.11200 -6.50700  1.000 47.00913  ? 419 GLU A C    1 
ATOM   1509 O  O    . GLU A 1 100 ? -11.32900 -32.37400 -5.69500  1.000 40.24921  ? 419 GLU A O    1 
ATOM   1510 C  CB   . GLU A 1 100 ? -11.29200 -35.55000 -6.54200  1.000 48.33380  ? 419 GLU A CB   1 
ATOM   1511 C  CG   . GLU A 1 100 ? -10.82700 -36.98800 -6.37500  1.000 50.90605  ? 419 GLU A CG   1 
ATOM   1512 C  CD   . GLU A 1 100 ? -9.74100  -37.37300 -7.36200  1.000 68.28515  ? 419 GLU A CD   1 
ATOM   1513 O  OE1  . GLU A 1 100 ? -9.63300  -36.71700 -8.42000  1.000 65.66112  ? 419 GLU A OE1  1 
ATOM   1514 O  OE2  . GLU A 1 100 ? -8.99300  -38.33300 -7.08000  1.000 68.71370  ? 419 GLU A OE2  1 
ATOM   1515 H  H    . GLU A 1 100 ? -10.54700 -35.05500 -4.24400  1.000 55.87929  ? 419 GLU A H    1 
ATOM   1516 H  HA   . GLU A 1 100 ? -9.42100  -34.64500 -6.60000  1.000 53.83959  ? 419 GLU A HA   1 
ATOM   1517 H  HB2  . GLU A 1 100 ? -12.09800 -35.41800 -6.01800  1.000 58.06809  ? 419 GLU A HB2  1 
ATOM   1518 H  HB3  . GLU A 1 100 ? -11.53100 -35.40400 -7.47100  1.000 58.06809  ? 419 GLU A HB3  1 
ATOM   1519 H  HG2  . GLU A 1 100 ? -10.49700 -37.11400 -5.47200  1.000 61.15479  ? 419 GLU A HG2  1 
ATOM   1520 H  HG3  . GLU A 1 100 ? -11.58500 -37.58300 -6.48600  1.000 61.15479  ? 419 GLU A HG3  1 
ATOM   1521 N  N    . GLY A 1 101 ? -10.54800 -32.76100 -7.77000  1.000 42.59333  ? 420 GLY A N    1 
ATOM   1522 C  CA   . GLY A 1 101 ? -11.14500 -31.57400 -8.34600  1.000 41.99346  ? 420 GLY A CA   1 
ATOM   1523 C  C    . GLY A 1 101 ? -10.41000 -30.28800 -8.07700  1.000 34.29295  ? 420 GLY A C    1 
ATOM   1524 O  O    . GLY A 1 101 ? -11.00300 -29.21200 -8.23100  1.000 38.37384  ? 420 GLY A O    1 
ATOM   1525 H  H    . GLY A 1 101 ? -10.05200 -33.20700 -8.31300  1.000 51.17953  ? 420 GLY A H    1 
ATOM   1526 H  HA2  . GLY A 1 101 ? -11.21100 -31.69700 -9.30600  1.000 50.45968  ? 420 GLY A HA2  1 
ATOM   1527 H  HA3  . GLY A 1 101 ? -12.05000 -31.48900 -8.00800  1.000 50.45968  ? 420 GLY A HA3  1 
ATOM   1528 N  N    . MET A 1 102 ? -9.13000  -30.35700 -7.69900  1.000 35.78724  ? 421 MET A N    1 
ATOM   1529 C  CA   . MET A 1 102 ? -8.40800  -29.20400 -7.16100  1.000 35.54203  ? 421 MET A CA   1 
ATOM   1530 C  C    . MET A 1 102 ? -7.56700  -28.43800 -8.18400  1.000 35.23616  ? 421 MET A C    1 
ATOM   1531 O  O    . MET A 1 102 ? -7.33700  -27.23500 -7.99700  1.000 34.97428  ? 421 MET A O    1 
ATOM   1532 C  CB   . MET A 1 102 ? -7.51800  -29.65300 -5.99400  1.000 40.11580  ? 421 MET A CB   1 
ATOM   1533 C  CG   . MET A 1 102 ? -8.32100  -29.96500 -4.73500  1.000 38.09241  ? 421 MET A CG   1 
ATOM   1534 S  SD   . MET A 1 102 ? -9.20100  -28.51100 -4.07000  1.000 38.79984  ? 421 MET A SD   1 
ATOM   1535 C  CE   . MET A 1 102 ? -7.87000  -27.63700 -3.26500  1.000 42.59469  ? 421 MET A CE   1 
ATOM   1536 H  H    . MET A 1 102 ? -8.65800  -31.07400 -7.74800  1.000 43.01222  ? 421 MET A H    1 
ATOM   1537 H  HA   . MET A 1 102 ? -9.09100  -28.58200 -6.86500  1.000 42.71797  ? 421 MET A HA   1 
ATOM   1538 H  HB2  . MET A 1 102 ? -7.01600  -30.44000 -6.25800  1.000 48.20650  ? 421 MET A HB2  1 
ATOM   1539 H  HB3  . MET A 1 102 ? -6.87100  -28.95700 -5.79800  1.000 48.20650  ? 421 MET A HB3  1 
ATOM   1540 H  HG2  . MET A 1 102 ? -8.96400  -30.66300 -4.93300  1.000 45.77843  ? 421 MET A HG2  1 
ATOM   1541 H  HG3  . MET A 1 102 ? -7.72400  -30.31400 -4.05500  1.000 45.77843  ? 421 MET A HG3  1 
ATOM   1542 H  HE1  . MET A 1 102 ? -8.21400  -26.82500 -2.86100  1.000 51.18116  ? 421 MET A HE1  1 
ATOM   1543 H  HE2  . MET A 1 102 ? -7.48200  -28.20000 -2.57700  1.000 51.18116  ? 421 MET A HE2  1 
ATOM   1544 H  HE3  . MET A 1 102 ? -7.19000  -27.41000 -3.91800  1.000 51.18116  ? 421 MET A HE3  1 
ATOM   1545 N  N    . SER A 1 103 ? -7.06100  -29.12000 -9.20700  1.000 33.14258  ? 422 SER A N    1 
ATOM   1546 C  CA   . SER A 1 103 ? -6.14100  -28.47000 -10.17500 1.000 35.69664  ? 422 SER A CA   1 
ATOM   1547 C  C    . SER A 1 103 ? -6.58700  -28.71300 -11.61600 1.000 34.05573  ? 422 SER A C    1 
ATOM   1548 O  O    . SER A 1 103 ? -7.09200  -29.79300 -11.90300 1.000 36.65854  ? 422 SER A O    1 
ATOM   1549 C  CB   . SER A 1 103 ? -4.72500  -28.92600 -9.97300  1.000 39.26259  ? 422 SER A CB   1 
ATOM   1550 O  OG   . SER A 1 103 ? -3.82900  -28.11900 -10.71600 1.000 66.53260  ? 422 SER A OG   1 
ATOM   1551 H  H    . SER A 1 103 ? -7.22700  -29.94800 -9.36800  1.000 39.83862  ? 422 SER A H    1 
ATOM   1552 H  HA   . SER A 1 103 ? -6.17500  -27.51500 -10.00900 1.000 42.90351  ? 422 SER A HA   1 
ATOM   1553 H  HB2  . SER A 1 103 ? -4.49900  -28.88600 -9.03100  1.000 47.18265  ? 422 SER A HB2  1 
ATOM   1554 H  HB3  . SER A 1 103 ? -4.63600  -29.85200 -10.24700 1.000 47.18265  ? 422 SER A HB3  1 
ATOM   1555 H  HG   . SER A 1 103 ? -3.46900  -27.55700 -10.20600 1.000 79.90665  ? 422 SER A HG   1 
ATOM   1556 N  N    . VAL A 1 104 ? -6.35500  -27.73500 -12.47700 1.000 34.76806  ? 423 VAL A N    1 
ATOM   1557 C  CA   . VAL A 1 104 ? -6.82500  -27.83900 -13.88300 1.000 39.28652  ? 423 VAL A CA   1 
ATOM   1558 C  C    . VAL A 1 104 ? -5.90000  -28.72500 -14.71300 1.000 33.00035  ? 423 VAL A C    1 
ATOM   1559 O  O    . VAL A 1 104 ? -4.69300  -28.49500 -14.69700 1.000 35.58383  ? 423 VAL A O    1 
ATOM   1560 C  CB   . VAL A 1 104 ? -6.95400  -26.45600 -14.52900 1.000 35.27703  ? 423 VAL A CB   1 
ATOM   1561 C  CG1  . VAL A 1 104 ? -7.40900  -26.56100 -15.97300 1.000 37.23912  ? 423 VAL A CG1  1 
ATOM   1562 C  CG2  . VAL A 1 104 ? -7.86600  -25.53300 -13.74000 1.000 35.93493  ? 423 VAL A CG2  1 
ATOM   1563 H  H    . VAL A 1 104 ? -5.93600  -27.00800 -12.28800 1.000 41.78921  ? 423 VAL A H    1 
ATOM   1564 H  HA   . VAL A 1 104 ? -7.70300  -28.25000 -13.86300 1.000 47.21135  ? 423 VAL A HA   1 
ATOM   1565 H  HB   . VAL A 1 104 ? -6.06800  -26.06100 -14.51800 1.000 42.39997  ? 423 VAL A HB   1 
ATOM   1566 H  HG11 . VAL A 1 104 ? -7.48200  -25.67200 -16.35500 1.000 44.75448  ? 423 VAL A HG11 1 
ATOM   1567 H  HG12 . VAL A 1 104 ? -6.76300  -27.07800 -16.47900 1.000 44.75448  ? 423 VAL A HG12 1 
ATOM   1568 H  HG13 . VAL A 1 104 ? -8.27300  -27.00000 -16.00900 1.000 44.75448  ? 423 VAL A HG13 1 
ATOM   1569 H  HG21 . VAL A 1 104 ? -7.91800  -24.67200 -14.18400 1.000 43.18944  ? 423 VAL A HG21 1 
ATOM   1570 H  HG22 . VAL A 1 104 ? -8.75300  -25.92300 -13.68600 1.000 43.18944  ? 423 VAL A HG22 1 
ATOM   1571 H  HG23 . VAL A 1 104 ? -7.51100  -25.41400 -12.84500 1.000 43.18944  ? 423 VAL A HG23 1 
ATOM   1572 N  N    . ALA A 1 105 ? -6.46100  -29.72300 -15.36800 1.000 33.69074  ? 424 ALA A N    1 
ATOM   1573 C  CA   . ALA A 1 105 ? -5.72200  -30.51100 -16.32900 1.000 36.38464  ? 424 ALA A CA   1 
ATOM   1574 C  C    . ALA A 1 105 ? -5.96100  -30.04100 -17.74900 1.000 34.97369  ? 424 ALA A C    1 
ATOM   1575 O  O    . ALA A 1 105 ? -5.01800  -29.98000 -18.54400 1.000 41.81288  ? 424 ALA A O    1 
ATOM   1576 C  CB   . ALA A 1 105 ? -6.11200  -31.97300 -16.19100 1.000 34.21622  ? 424 ALA A CB   1 
ATOM   1577 H  H    . ALA A 1 105 ? -7.28100  -29.96200 -15.26800 1.000 40.49642  ? 424 ALA A H    1 
ATOM   1578 H  HA   . ALA A 1 105 ? -4.77600  -30.40200 -16.14300 1.000 43.72910  ? 424 ALA A HA   1 
ATOM   1579 H  HB1  . ALA A 1 105 ? -5.61700  -32.50200 -16.83500 1.000 41.12700  ? 424 ALA A HB1  1 
ATOM   1580 H  HB2  . ALA A 1 105 ? -5.90600  -32.28000 -15.29400 1.000 41.12700  ? 424 ALA A HB2  1 
ATOM   1581 H  HB3  . ALA A 1 105 ? -7.06300  -32.07100 -16.35500 1.000 41.12700  ? 424 ALA A HB3  1 
ATOM   1582 N  N    . GLU A 1 106 ? -7.20500  -29.70300 -18.09100 1.000 38.49418  ? 425 GLU A N    1 
ATOM   1583 C  CA   . GLU A 1 106 ? -7.48700  -29.17100 -19.41700 1.000 36.72609  ? 425 GLU A CA   1 
ATOM   1584 C  C    . GLU A 1 106 ? -8.56500  -28.09500 -19.36300 1.000 36.92932  ? 425 GLU A C    1 
ATOM   1585 O  O    . GLU A 1 106 ? -9.45800  -28.13700 -18.51600 1.000 37.27771  ? 425 GLU A O    1 
ATOM   1586 C  CB   . GLU A 1 106 ? -7.95900  -30.27300 -20.37900 1.000 42.80495  ? 425 GLU A CB   1 
ATOM   1587 C  CG   . GLU A 1 106 ? -7.24700  -31.58900 -20.22000 1.000 48.66544  ? 425 GLU A CG   1 
ATOM   1588 C  CD   . GLU A 1 106 ? -7.42700  -32.48300 -21.42600 1.000 56.96955  ? 425 GLU A CD   1 
ATOM   1589 O  OE1  . GLU A 1 106 ? -8.58900  -32.72000 -21.82400 1.000 63.44043  ? 425 GLU A OE1  1 
ATOM   1590 O  OE2  . GLU A 1 106 ? -6.40500  -32.93700 -21.98100 1.000 64.81768  ? 425 GLU A OE2  1 
ATOM   1591 H  H    . GLU A 1 106 ? -7.88900  -29.77400 -17.57500 1.000 46.26055  ? 425 GLU A H    1 
ATOM   1592 H  HA   . GLU A 1 106 ? -6.65600  -28.79000 -19.74100 1.000 44.13884  ? 425 GLU A HA   1 
ATOM   1593 H  HB2  . GLU A 1 106 ? -8.91000  -30.41500 -20.24800 1.000 51.43347  ? 425 GLU A HB2  1 
ATOM   1594 H  HB3  . GLU A 1 106 ? -7.84100  -29.96300 -21.29000 1.000 51.43347  ? 425 GLU A HB3  1 
ATOM   1595 H  HG2  . GLU A 1 106 ? -6.30100  -31.42800 -20.07600 1.000 58.46606  ? 425 GLU A HG2  1 
ATOM   1596 H  HG3  . GLU A 1 106 ? -7.58100  -32.04200 -19.43000 1.000 58.46606  ? 425 GLU A HG3  1 
ATOM   1597 N  N    . CYS A 1 107 ? -8.49900  -27.17000 -20.32500 1.000 40.36429  ? 426 CYS A N    1 
ATOM   1598 C  CA   . CYS A 1 107 ? -9.44100  -26.07800 -20.53200 1.000 36.14934  ? 426 CYS A CA   1 
ATOM   1599 C  C    . CYS A 1 107 ? -10.17500 -26.25400 -21.85800 1.000 36.26571  ? 426 CYS A C    1 
ATOM   1600 O  O    . CYS A 1 107 ? -9.68000  -26.89200 -22.78700 1.000 35.78464  ? 426 CYS A O    1 
ATOM   1601 C  CB   . CYS A 1 107 ? -8.72200  -24.72200 -20.55400 1.000 40.60189  ? 426 CYS A CB   1 
ATOM   1602 S  SG   . CYS A 1 107 ? -7.76800  -24.30000 -19.07500 1.000 37.58935  ? 426 CYS A SG   1 
ATOM   1603 H  H    . CYS A 1 107 ? -7.86400  -27.16700 -20.90500 1.000 48.50468  ? 426 CYS A H    1 
ATOM   1604 H  HA   . CYS A 1 107 ? -10.07100 -26.09600 -19.79500 1.000 43.44674  ? 426 CYS A HA   1 
ATOM   1605 H  HB2  . CYS A 1 107 ? -8.12400  -24.70600 -21.31700 1.000 48.78980  ? 426 CYS A HB2  1 
ATOM   1606 H  HB3  . CYS A 1 107 ? -9.38400  -24.02800 -20.69800 1.000 48.78980  ? 426 CYS A HB3  1 
ATOM   1607 N  N    . GLY A 1 108 ? -11.35000 -25.64400 -21.95300 1.000 34.22705  ? 427 GLY A N    1 
ATOM   1608 C  CA   . GLY A 1 108 ? -12.11400 -25.68200 -23.19100 1.000 43.08439  ? 427 GLY A CA   1 
ATOM   1609 C  C    . GLY A 1 108 ? -13.27700 -24.72100 -23.11600 1.000 40.37605  ? 427 GLY A C    1 
ATOM   1610 O  O    . GLY A 1 108 ? -13.64000 -24.22500 -22.04800 1.000 36.40711  ? 427 GLY A O    1 
ATOM   1611 H  H    . GLY A 1 108 ? -11.72100 -25.20400 -21.31400 1.000 41.13999  ? 427 GLY A H    1 
ATOM   1612 H  HA2  . GLY A 1 108 ? -11.54200 -25.45000 -23.93900 1.000 51.76880  ? 427 GLY A HA2  1 
ATOM   1613 H  HA3  . GLY A 1 108 ? -12.43900 -26.58200 -23.35100 1.000 51.76880  ? 427 GLY A HA3  1 
ATOM   1614 N  N    . CYS A 1 109 ? -13.87100 -24.47700 -24.27200 1.000 35.92725  ? 428 CYS A N    1 
ATOM   1615 C  CA   . CYS A 1 109 ? -15.00600 -23.57500 -24.39600 1.000 35.46016  ? 428 CYS A CA   1 
ATOM   1616 C  C    . CYS A 1 109 ? -16.28700 -24.38200 -24.21700 1.000 35.46179  ? 428 CYS A C    1 
ATOM   1617 O  O    . CYS A 1 109 ? -16.46400 -25.41900 -24.86600 1.000 38.71190  ? 428 CYS A O    1 
ATOM   1618 C  CB   . CYS A 1 109 ? -14.97100 -22.86600 -25.75900 1.000 39.34904  ? 428 CYS A CB   1 
ATOM   1619 S  SG   . CYS A 1 109 ? -13.59000 -21.66800 -25.85400 1.000 45.22728  ? 428 CYS A SG   1 
ATOM   1620 H  H    . CYS A 1 109 ? -13.62500 -24.83300 -25.01500 1.000 43.18024  ? 428 CYS A H    1 
ATOM   1621 H  HA   . CYS A 1 109 ? -14.96900 -22.88800 -23.71200 1.000 42.61973  ? 428 CYS A HA   1 
ATOM   1622 H  HB2  . CYS A 1 109 ? -14.87900 -23.52400 -26.46600 1.000 47.28638  ? 428 CYS A HB2  1 
ATOM   1623 H  HB3  . CYS A 1 109 ? -15.81200 -22.40500 -25.90800 1.000 47.28638  ? 428 CYS A HB3  1 
ATOM   1624 N  N    . ARG A 1 110 ? -17.14300 -23.93500 -23.29600 1.000 34.87322  ? 429 ARG A N    1 
ATOM   1625 C  CA   . ARG A 1 110 ? -18.37500 -24.65000 -22.96200 1.000 35.57142  ? 429 ARG A CA   1 
ATOM   1626 C  C    . ARG A 1 110 ? -19.57300 -23.69100 -22.92700 1.000 35.98491  ? 429 ARG A C    1 
ATOM   1627 O  O    . ARG A 1 110 ? -20.72100 -24.05000 -23.21100 1.000 33.90027  ? 429 ARG A O    1 
ATOM   1628 C  CB   . ARG A 1 110 ? -18.23300 -25.36900 -21.61900 1.000 38.68463  ? 429 ARG A CB   1 
ATOM   1629 C  CG   . ARG A 1 110 ? -17.26500 -26.54100 -21.64300 1.000 37.94455  ? 429 ARG A CG   1 
ATOM   1630 C  CD   . ARG A 1 110 ? -17.74400 -27.62600 -22.59200 1.000 37.50636  ? 429 ARG A CD   1 
ATOM   1631 N  NE   . ARG A 1 110 ? -16.79900 -28.73200 -22.68600 1.000 41.70821  ? 429 ARG A NE   1 
ATOM   1632 C  CZ   . ARG A 1 110 ? -15.83200 -28.81600 -23.59000 1.000 46.20598  ? 429 ARG A CZ   1 
ATOM   1633 N  NH1  . ARG A 1 110 ? -15.65000 -27.87000 -24.49700 1.000 45.65498  ? 429 ARG A NH1  1 
ATOM   1634 N  NH2  . ARG A 1 110 ? -15.02800 -29.87500 -23.58300 1.000 44.44151  ? 429 ARG A NH2  1 
ATOM   1635 O  OXT  . ARG A 1 110 ? -19.41400 -22.51200 -22.61100 1.000 35.31094  ? 429 ARG A OXT  1 
ATOM   1636 H  H    . ARG A 1 110 ? -17.02500 -23.21000 -22.84900 1.000 41.91540  ? 429 ARG A H    1 
ATOM   1637 H  HA   . ARG A 1 110 ? -18.53400 -25.31200 -23.65300 1.000 42.75324  ? 429 ARG A HA   1 
ATOM   1638 H  HB2  . ARG A 1 110 ? -17.93700 -24.73100 -20.95100 1.000 46.48909  ? 429 ARG A HB2  1 
ATOM   1639 H  HB3  . ARG A 1 110 ? -19.10500 -25.68800 -21.34000 1.000 46.48909  ? 429 ARG A HB3  1 
ATOM   1640 H  HG2  . ARG A 1 110 ? -16.38600 -26.23300 -21.91600 1.000 45.60100  ? 429 ARG A HG2  1 
ATOM   1641 H  HG3  . ARG A 1 110 ? -17.17300 -26.90600 -20.74900 1.000 45.60100  ? 429 ARG A HG3  1 
ATOM   1642 H  HD2  . ARG A 1 110 ? -18.60300 -27.96100 -22.29000 1.000 45.07517  ? 429 ARG A HD2  1 
ATOM   1643 H  HD3  . ARG A 1 110 ? -17.88200 -27.24500 -23.47300 1.000 45.07517  ? 429 ARG A HD3  1 
ATOM   1644 H  HE   . ARG A 1 110 ? -16.87300 -29.37300 -22.11700 1.000 50.11739  ? 429 ARG A HE   1 
ATOM   1645 H  HH11 . ARG A 1 110 ? -16.16500 -27.18100 -24.50900 1.000 54.85351  ? 429 ARG A HH11 1 
ATOM   1646 H  HH12 . ARG A 1 110 ? -15.01700 -27.94400 -25.07400 1.000 54.85351  ? 429 ARG A HH12 1 
ATOM   1647 H  HH21 . ARG A 1 110 ? -15.13800 -30.49500 -22.99700 1.000 53.39734  ? 429 ARG A HH21 1 
ATOM   1648 H  HH22 . ARG A 1 110 ? -14.39800 -29.94000 -24.16400 1.000 53.39734  ? 429 ARG A HH22 1 
HETATM 1649 CL CL   . CL  B 2 .   ? -12.09200 -35.82700 -2.71700  0.610 46.95848  ? 501 CL  A CL   1 
HETATM 1650 CL CL   . CL  C 2 .   ? -20.55700 -31.51900 -28.59900 0.550 31.65608  ? 502 CL  A CL   1 
HETATM 1651 CL CL   . CL  D 2 .   ? -2.75800  -43.93500 -6.22700  0.470 53.03148  ? 503 CL  A CL   1 
HETATM 1652 CL CL   . CL  E 2 .   ? -7.56600  -40.40600 -1.30100  0.690 61.10011  ? 504 CL  A CL   1 
HETATM 1653 CL CL   . CL  F 2 .   ? -13.41500 -21.97100 -36.38100 0.420 65.66272  ? 505 CL  A CL   1 
HETATM 1654 CL CL   . CL  G 2 .   ? -11.95200 -34.46200 3.58500   0.670 83.30375  ? 506 CL  A CL   1 
HETATM 1655 NA NA   . NA  H 3 .   ? -0.70000  -42.47600 -6.49000  0.970 47.60649  ? 507 NA  A NA   1 
HETATM 1656 NA NA   . NA  I 3 .   ? -28.46300 -7.54100  -29.38700 0.990 48.92550  ? 508 NA  A NA   1 
HETATM 1657 NA NA   . NA  J 3 .   ? -13.56500 -32.99400 5.07600   0.990 83.46373  ? 509 NA  A NA   1 
HETATM 1658 NA NA   . NA  K 3 .   ? -25.89000 -10.53600 -21.91300 0.990 82.52182  ? 510 NA  A NA   1 
HETATM 1659 C  C1   . GOL L 4 .   ? -0.80500  -37.97900 -4.94800  0.760 55.05785  ? 511 GOL A C1   1 
HETATM 1660 O  O1   . GOL L 4 .   ? -0.02700  -37.19000 -4.12100  0.760 55.09776  ? 511 GOL A O1   1 
HETATM 1661 C  C2   . GOL L 4 .   ? -1.07400  -37.17600 -6.22500  0.760 55.46557  ? 511 GOL A C2   1 
HETATM 1662 O  O2   . GOL L 4 .   ? -1.53900  -37.98400 -7.23400  0.760 54.80764  ? 511 GOL A O2   1 
HETATM 1663 C  C3   . GOL L 4 .   ? -2.11000  -36.09200 -5.80500  0.760 55.20105  ? 511 GOL A C3   1 
HETATM 1664 O  O3   . GOL L 4 .   ? -3.21400  -36.76600 -5.27700  0.760 55.18433  ? 511 GOL A O3   1 
HETATM 1665 H  H11  . GOL L 4 .   ? -1.63800  -38.21500 -4.51100  0.760 66.13696  ? 511 GOL A H11  1 
HETATM 1666 H  H12  . GOL L 4 .   ? -0.34900  -38.80900 -5.15600  0.760 66.13696  ? 511 GOL A H12  1 
HETATM 1667 H  HO1  . GOL L 4 .   ? -0.50700  -36.85900 -3.51600  0.760 66.18485  ? 511 GOL A HO1  1 
HETATM 1668 H  H2   . GOL L 4 .   ? -0.26900  -36.77100 -6.58300  0.760 66.62622  ? 511 GOL A H2   1 
HETATM 1669 H  HO2  . GOL L 4 .   ? -1.79600  -37.50900 -7.87800  0.760 65.83670  ? 511 GOL A HO2  1 
HETATM 1670 H  H31  . GOL L 4 .   ? -2.37000  -35.55200 -6.56800  0.760 66.30879  ? 511 GOL A H31  1 
HETATM 1671 H  H32  . GOL L 4 .   ? -1.72900  -35.48900 -5.14700  0.760 66.30879  ? 511 GOL A H32  1 
HETATM 1672 H  HO3  . GOL L 4 .   ? -3.92100  -36.39900 -5.54400  0.760 66.28873  ? 511 GOL A HO3  1 
HETATM 1673 C  C1   . GOL M 4 .   ? -23.60800 -18.54900 -20.44900 0.880 98.17634  ? 512 GOL A C1   1 
HETATM 1674 O  O1   . GOL M 4 .   ? -23.50700 -17.53600 -19.45100 0.880 98.21681  ? 512 GOL A O1   1 
HETATM 1675 C  C2   . GOL M 4 .   ? -22.25100 -18.94400 -20.99400 0.880 98.60952  ? 512 GOL A C2   1 
HETATM 1676 O  O2   . GOL M 4 .   ? -21.21800 -18.20900 -20.34000 0.880 98.49920  ? 512 GOL A O2   1 
HETATM 1677 C  C3   . GOL M 4 .   ? -21.96800 -20.42800 -20.91200 0.880 98.18288  ? 512 GOL A C3   1 
HETATM 1678 O  O3   . GOL M 4 .   ? -21.64900 -20.97100 -22.19000 0.880 98.01863  ? 512 GOL A O3   1 
HETATM 1679 H  H11  . GOL M 4 .   ? -24.16800 -18.23200 -21.17500 0.880 117.87914 ? 512 GOL A H11  1 
HETATM 1680 H  H12  . GOL M 4 .   ? -24.04500 -19.33000 -20.07400 0.880 117.87914 ? 512 GOL A H12  1 
HETATM 1681 H  HO1  . GOL M 4 .   ? -22.82300 -17.06900 -19.59400 0.880 117.92770 ? 512 GOL A HO1  1 
HETATM 1682 H  H2   . GOL M 4 .   ? -22.26800 -18.72200 -21.93800 0.880 118.39895 ? 512 GOL A H2   1 
HETATM 1683 H  HO2  . GOL M 4 .   ? -20.48100 -18.59500 -20.45700 0.880 118.26658 ? 512 GOL A HO2  1 
HETATM 1684 H  H31  . GOL M 4 .   ? -22.74200 -20.88600 -20.54900 0.880 117.88698 ? 512 GOL A H31  1 
HETATM 1685 H  H32  . GOL M 4 .   ? -21.23200 -20.58500 -20.30000 0.880 117.88698 ? 512 GOL A H32  1 
HETATM 1686 H  HO3  . GOL M 4 .   ? -21.56000 -21.80400 -22.12600 0.880 117.68989 ? 512 GOL A HO3  1 
HETATM 1687 O  O    . HOH N 5 .   ? -7.64700  -40.01400 -8.14800  0.560 48.70323  ? 601 HOH A O    1 
HETATM 1688 O  O    . HOH N 5 .   ? -9.13200  -15.91500 -14.30300 0.930 56.19365  ? 602 HOH A O    1 
HETATM 1689 O  O    . HOH N 5 .   ? -9.65900  -34.64800 -9.71800  0.920 40.38365  ? 603 HOH A O    1 
HETATM 1690 O  O    . HOH N 5 .   ? -10.35600 -28.83100 -24.19700 0.410 42.01601  ? 604 HOH A O    1 
HETATM 1691 O  O    . HOH N 5 .   ? -24.97500 -21.35500 -21.95900 0.960 30.98963  ? 605 HOH A O    1 
HETATM 1692 O  O    . HOH N 5 .   ? -15.70800 -16.18500 -23.15700 0.850 50.31247  ? 606 HOH A O    1 
HETATM 1693 O  O    . HOH N 5 .   ? -20.01800 -33.34100 -31.24100 0.960 62.04360  ? 607 HOH A O    1 
HETATM 1694 O  O    . HOH N 5 .   ? -21.33100 -26.47600 -23.91300 0.990 31.45963  ? 608 HOH A O    1 
HETATM 1695 O  O    . HOH N 5 .   ? -19.50900 -14.35500 -30.44000 0.510 39.93603  ? 609 HOH A O    1 
HETATM 1696 O  O    . HOH N 5 .   ? -10.36900 -28.96300 -30.27900 0.740 58.18165  ? 610 HOH A O    1 
HETATM 1697 O  O    . HOH N 5 .   ? -30.58100 -12.70900 -40.19900 0.500 51.63610  ? 611 HOH A O    1 
HETATM 1698 O  O    . HOH N 5 .   ? -10.95000 -30.66000 -22.92400 0.990 62.66799  ? 612 HOH A O    1 
HETATM 1699 O  O    . HOH N 5 .   ? -17.13400 -14.62100 -28.29600 0.610 59.01151  ? 613 HOH A O    1 
HETATM 1700 O  O    . HOH N 5 .   ? -7.90400  -17.89800 6.95000   0.600 59.76744  ? 614 HOH A O    1 
HETATM 1701 O  O    . HOH N 5 .   ? -22.65500 -22.71100 -24.45500 0.930 30.56504  ? 615 HOH A O    1 
HETATM 1702 O  O    . HOH N 5 .   ? -13.62100 -19.96200 2.96800   0.650 33.64108  ? 616 HOH A O    1 
HETATM 1703 O  O    . HOH N 5 .   ? 3.17400   -25.86400 -2.79200  0.470 36.09616  ? 617 HOH A O    1 
HETATM 1704 O  O    . HOH N 5 .   ? -16.64900 -15.25300 -32.48000 0.600 33.81096  ? 618 HOH A O    1 
HETATM 1705 O  O    . HOH N 5 .   ? -21.38700 -8.67000  -32.78600 0.590 30.55256  ? 619 HOH A O    1 
HETATM 1706 O  O    . HOH N 5 .   ? -0.24500  -14.82300 3.24100   0.990 79.33975  ? 620 HOH A O    1 
HETATM 1707 O  O    . HOH N 5 .   ? -21.292   -15.818   -19.089   0.990 81.13844  ? 621 HOH A O    1 
HETATM 1708 O  O    . HOH N 5 .   ? -2.27200  -37.03700 -9.69100  0.800 67.55484  ? 622 HOH A O    1 
HETATM 1709 O  O    . HOH N 5 .   ? -8.32000  -19.37900 9.67800   0.990 79.43530  ? 623 HOH A O    1 
HETATM 1710 O  O    . HOH N 5 .   ? -14.41100 -31.70700 1.18800   0.610 55.02154  ? 624 HOH A O    1 
HETATM 1711 O  O    . HOH N 5 .   ? -14.19700 -17.28600 -21.05100 0.990 50.96093  ? 625 HOH A O    1 
HETATM 1712 O  O    . HOH N 5 .   ? -1.84100  -21.34300 3.83300   0.990 57.62880  ? 626 HOH A O    1 
HETATM 1713 O  O    . HOH N 5 .   ? -7.91000  -15.62500 6.45600   0.980 76.64529  ? 627 HOH A O    1 
HETATM 1714 O  O    . HOH N 5 .   ? -2.81600  -24.57300 4.56600   0.950 59.61551  ? 628 HOH A O    1 
HETATM 1715 O  O    . HOH N 5 .   ? -3.09200  -30.48100 -13.51800 0.780 56.73605  ? 629 HOH A O    1 
HETATM 1716 O  O    . HOH N 5 .   ? -14.299   -28.629   -14.557   0.990 37.76590  ? 630 HOH A O    1 
HETATM 1717 O  O    . HOH N 5 .   ? -15.97300 -32.12400 -22.09300 0.920 65.32408  ? 631 HOH A O    1 
HETATM 1718 O  O    . HOH N 5 .   ? -3.55500  -16.07600 -5.50900  0.990 51.76024  ? 632 HOH A O    1 
HETATM 1719 O  O    . HOH N 5 .   ? -14.97300 -14.79000 -25.86700 0.540 47.70112  ? 633 HOH A O    1 
HETATM 1720 O  O    . HOH N 5 .   ? -2.24100  -30.70100 -18.24700 0.650 52.72240  ? 634 HOH A O    1 
HETATM 1721 O  O    . HOH N 5 .   ? -16.52200 -28.45800 -17.80300 0.860 40.60476  ? 635 HOH A O    1 
HETATM 1722 O  O    . HOH N 5 .   ? -7.27000  -29.44300 -24.62100 0.990 81.31601  ? 636 HOH A O    1 
HETATM 1723 O  O    . HOH N 5 .   ? -11.80500 -19.59200 7.93800   0.990 65.15652  ? 637 HOH A O    1 
HETATM 1724 O  O    . HOH N 5 .   ? -0.64800  -28.87400 -9.07600  0.910 49.53478  ? 638 HOH A O    1 
HETATM 1725 O  O    . HOH N 5 .   ? -4.41600  -17.04600 -2.79600  0.750 35.56947  ? 639 HOH A O    1 
HETATM 1726 O  O    . HOH N 5 .   ? -23.696   -16.229   -16.778   0.990 68.63628  ? 640 HOH A O    1 
HETATM 1727 O  O    . HOH N 5 .   ? -3.91700  -25.49400 10.38700  0.990 73.54629  ? 641 HOH A O    1 
HETATM 1728 O  O    . HOH N 5 .   ? -15.83400 -31.83200 -19.43300 0.990 67.36063  ? 642 HOH A O    1 
HETATM 1729 O  O    . HOH N 5 .   ? -1.15500  -13.01800 -0.77300  0.990 75.99316  ? 643 HOH A O    1 
HETATM 1730 O  O    . HOH N 5 .   ? 1.10900   -19.50500 -16.97900 0.830 57.41541  ? 644 HOH A O    1 
HETATM 1731 O  O    . HOH N 5 .   ? -12.40700 -33.99300 -14.17100 0.990 44.09964  ? 645 HOH A O    1 
HETATM 1732 O  O    . HOH N 5 .   ? -4.10700  -25.42600 -22.16100 0.930 53.53960  ? 646 HOH A O    1 
HETATM 1733 O  O    . HOH N 5 .   ? 3.59800   -24.97800 -14.16100 0.330 34.75312  ? 647 HOH A O    1 
HETATM 1734 O  O    . HOH N 5 .   ? -0.37200  -17.10600 -9.48300  0.920 55.37782  ? 648 HOH A O    1 
HETATM 1735 O  O    . HOH N 5 .   ? -30.04300 -10.00900 -40.03400 0.870 63.52708  ? 649 HOH A O    1 
HETATM 1736 O  O    . HOH N 5 .   ? -12.80200 -21.71500 10.58600  0.970 69.02948  ? 650 HOH A O    1 
HETATM 1737 O  O    . HOH N 5 .   ? -3.17000  -40.30500 7.43300   0.650 46.70938  ? 651 HOH A O    1 
HETATM 1738 O  O    . HOH N 5 .   ? 0.45600   -18.80900 4.46700   0.620 60.88142  ? 652 HOH A O    1 
HETATM 1739 O  O    . HOH N 5 .   ? -18.08900 -30.32200 -20.25100 0.990 65.82878  ? 653 HOH A O    1 
HETATM 1740 O  O    . HOH N 5 .   ? -5.86200  -27.18800 -22.11800 0.990 51.30755  ? 654 HOH A O    1 
HETATM 1741 O  O    . HOH N 5 .   ? 3.85800   -25.77700 2.33800   0.590 48.35800  ? 655 HOH A O    1 
HETATM 1742 O  O    . HOH N 5 .   ? -9.76600  -36.66200 -14.27100 0.990 75.88012  ? 656 HOH A O    1 
HETATM 1743 O  O    . HOH N 5 .   ? -5.22400  -15.90700 -22.40600 0.720 60.55712  ? 657 HOH A O    1 
HETATM 1744 O  O    . HOH N 5 .   ? -10.46700 -20.63600 -28.18400 0.990 51.16084  ? 658 HOH A O    1 
HETATM 1745 O  O    . HOH N 5 .   ? -6.67800  -40.98500 1.57400   0.730 40.34945  ? 659 HOH A O    1 
HETATM 1746 O  O    . HOH N 5 .   ? -9.02300  -38.16300 -11.25000 0.990 68.48407  ? 660 HOH A O    1 
HETATM 1747 O  O    . HOH N 5 .   ? -13.03800 -35.07100 -18.02700 0.710 62.35317  ? 661 HOH A O    1 
HETATM 1748 O  O    . HOH N 5 .   ? -14.39600 -30.23900 -30.82500 0.810 64.19818  ? 662 HOH A O    1 
HETATM 1749 O  O    . HOH N 5 .   ? -27.575   -13.629   -21.131   0.990 74.84450  ? 663 HOH A O    1 
HETATM 1750 O  O    . HOH N 5 .   ? -2.25100  -34.72200 -10.05700 0.990 78.53596  ? 664 HOH A O    1 
HETATM 1751 O  O    . HOH N 5 .   ? -2.38200  -23.49200 8.29500   0.990 76.47169  ? 665 HOH A O    1 
HETATM 1752 O  O    . HOH N 5 .   ? -4.23400  -35.37500 -17.58600 0.540 58.39935  ? 666 HOH A O    1 
HETATM 1753 O  O    . HOH N 5 .   ? -10.00800 -14.27200 -19.78600 0.840 62.78153  ? 667 HOH A O    1 
HETATM 1754 O  O    . HOH N 5 .   ? 1.56500   -27.54900 -16.72800 0.990 68.87184  ? 668 HOH A O    1 
HETATM 1755 O  O    . HOH N 5 .   ? -4.81500  -23.22900 11.94700  0.760 64.51450  ? 669 HOH A O    1 
HETATM 1756 O  O    . HOH N 5 .   ? -20.13600 -8.37200  -25.85000 0.990 82.27864  ? 670 HOH A O    1 
HETATM 1757 O  O    . HOH N 5 .   ? -27.18700 -8.20000  -36.38100 0.570 81.87049  ? 671 HOH A O    1 
HETATM 1758 O  O    . HOH N 5 .   ? 3.71600   -24.26600 0.54400   0.840 72.16422  ? 672 HOH A O    1 
HETATM 1759 O  O    . HOH N 5 .   ? -16.79300 -31.96700 -26.65200 0.990 62.57341  ? 673 HOH A O    1 
HETATM 1760 O  O    . HOH N 5 .   ? 3.52400   -22.78500 -13.02300 0.740 60.57808  ? 674 HOH A O    1 
HETATM 1761 O  O    . HOH N 5 .   ? -19.21100 -33.43300 -34.81700 0.810 67.73595  ? 675 HOH A O    1 
HETATM 1762 O  O    . HOH N 5 .   ? -1.55200  -30.97000 -9.87900  0.980 71.80592  ? 676 HOH A O    1 
HETATM 1763 O  O    . HOH N 5 .   ? -4.08000  -41.89900 2.72100   0.640 44.03985  ? 677 HOH A O    1 
HETATM 1764 O  O    . HOH N 5 .   ? -2.22600  -22.66900 6.24300   0.590 52.97089  ? 678 HOH A O    1 
HETATM 1765 O  O    . HOH N 5 .   ? 0.58700   -23.88900 -17.75200 0.990 71.76479  ? 679 HOH A O    1 
HETATM 1766 O  O    . HOH N 5 .   ? -12.35600 -34.72700 -11.23400 0.870 52.02592  ? 680 HOH A O    1 
HETATM 1767 O  O    . HOH N 5 .   ? -12.69400 -33.04900 -23.11300 0.700 54.83244  ? 681 HOH A O    1 
HETATM 1768 O  O    . HOH N 5 .   ? 0.01400   -16.17100 -3.60800  0.990 62.12929  ? 682 HOH A O    1 
HETATM 1769 O  O    . HOH N 5 .   ? -1.33400  -25.09000 11.18500  0.990 74.31992  ? 683 HOH A O    1 
HETATM 1770 O  O    . HOH N 5 .   ? -18.48600 -14.65100 -20.66500 0.990 63.91096  ? 684 HOH A O    1 
HETATM 1771 O  O    . HOH N 5 .   ? -2.79400  -14.95900 -11.25100 0.300 33.15789  ? 685 HOH A O    1 
HETATM 1772 O  O    . HOH N 5 .   ? 3.57000   -27.56100 -10.06400 0.990 73.65493  ? 686 HOH A O    1 
HETATM 1773 O  O    . HOH N 5 .   ? -14.83300 -31.32700 -14.51300 0.990 53.12521  ? 687 HOH A O    1 
HETATM 1774 O  O    . HOH N 5 .   ? -0.24200  -25.73300 -20.52800 0.830 63.82083  ? 688 HOH A O    1 
HETATM 1775 O  O    . HOH N 5 .   ? -6.35500  -17.24700 -34.55300 0.810 73.64414  ? 689 HOH A O    1 
HETATM 1776 O  O    . HOH N 5 .   ? -7.59200  -15.08900 -33.95300 0.990 76.96665  ? 690 HOH A O    1 
HETATM 1777 O  O    . HOH N 5 .   ? 4.67600   -21.32200 0.85900   0.990 83.35680  ? 691 HOH A O    1 
HETATM 1778 O  O    . HOH N 5 .   ? -2.63100  -14.21300 -6.77200  0.990 58.04356  ? 692 HOH A O    1 
HETATM 1779 O  O    . HOH N 5 .   ? -14.202   -33.556   -10.323   0.990 60.45766  ? 693 HOH A O    1 
HETATM 1780 O  O    . HOH N 5 .   ? -5.14500  -39.31100 -10.40700 0.990 74.76113  ? 694 HOH A O    1 
HETATM 1781 O  O    . HOH N 5 .   ? -15.20500 -28.32300 -34.17600 0.830 56.60302  ? 695 HOH A O    1 
HETATM 1782 O  O    . HOH N 5 .   ? 5.444     -27.228   -0.847    0.990 70.52081  ? 696 HOH A O    1 
HETATM 1783 O  O    . HOH N 5 .   ? -16.00100 -36.65300 -13.69700 0.730 67.27618  ? 697 HOH A O    1 
# 
loop_
_atom_site_anisotrop.id 
_atom_site_anisotrop.type_symbol 
_atom_site_anisotrop.pdbx_label_atom_id 
_atom_site_anisotrop.pdbx_label_alt_id 
_atom_site_anisotrop.pdbx_label_comp_id 
_atom_site_anisotrop.pdbx_label_asym_id 
_atom_site_anisotrop.pdbx_label_seq_id 
_atom_site_anisotrop.pdbx_PDB_ins_code 
_atom_site_anisotrop.U[1][1] 
_atom_site_anisotrop.U[2][2] 
_atom_site_anisotrop.U[3][3] 
_atom_site_anisotrop.U[1][2] 
_atom_site_anisotrop.U[1][3] 
_atom_site_anisotrop.U[2][3] 
_atom_site_anisotrop.pdbx_auth_seq_id 
_atom_site_anisotrop.pdbx_auth_comp_id 
_atom_site_anisotrop.pdbx_auth_asym_id 
_atom_site_anisotrop.pdbx_auth_atom_id 
1    N N   . SER A 6   ? 1.17888 1.32777 0.74247 -0.30243 -0.00701 0.29692  325 SER A N   
2    C CA  . SER A 6   ? 1.30265 1.34043 0.82293 -0.28016 -0.05899 0.32443  325 SER A CA  
3    C C   . SER A 6   ? 1.25105 1.30509 0.77379 -0.22600 -0.07448 0.29511  325 SER A C   
4    O O   . SER A 6   ? 1.27417 1.25184 0.77613 -0.19660 -0.11917 0.30874  325 SER A O   
5    C CB  . SER A 6   ? 1.37871 1.36409 0.83471 -0.30573 -0.07437 0.36508  325 SER A CB  
6    O OG  . SER A 6   ? 1.35277 1.40699 0.77347 -0.30388 -0.05165 0.35554  325 SER A OG  
11   N N   A HIS A 7   ? 0.88875 1.02912 0.46595 -0.20340 -0.04273 0.24476  326 HIS A N   
12   N N   B HIS A 7   ? 0.86601 1.00577 0.44406 -0.20312 -0.04290 0.24459  326 HIS A N   
13   C CA  A HIS A 7   ? 0.93465 1.09447 0.53366 -0.15433 -0.05538 0.20791  326 HIS A CA  
14   C CA  B HIS A 7   ? 0.86103 1.02145 0.46049 -0.15442 -0.05500 0.20764  326 HIS A CA  
15   C C   A HIS A 7   ? 0.73431 0.91918 0.42126 -0.12266 -0.03998 0.16209  326 HIS A C   
16   C C   B HIS A 7   ? 0.72325 0.90015 0.41047 -0.12116 -0.04346 0.16408  326 HIS A C   
17   O O   A HIS A 7   ? 0.75213 0.93099 0.47411 -0.13439 -0.02614 0.16091  326 HIS A O   
18   O O   B HIS A 7   ? 0.69587 0.87907 0.41840 -0.13486 -0.02431 0.15965  326 HIS A O   
19   C CB  A HIS A 7   ? 0.88979 1.11834 0.44065 -0.16127 -0.03918 0.19633  326 HIS A CB  
20   C CB  B HIS A 7   ? 0.78926 1.02983 0.35349 -0.16112 -0.03121 0.18885  326 HIS A CB  
21   C CG  A HIS A 7   ? 0.91487 1.10285 0.38409 -0.16696 -0.07028 0.23036  326 HIS A CG  
22   C CG  B HIS A 7   ? 0.72524 1.04835 0.33236 -0.16932 0.01587  0.15392  326 HIS A CG  
23   N ND1 A HIS A 7   ? 1.07539 1.26296 0.49199 -0.19981 -0.05341 0.25521  326 HIS A ND1 
24   N ND1 B HIS A 7   ? 0.73520 1.08402 0.35588 -0.20465 0.04439  0.16704  326 HIS A ND1 
25   C CD2 A HIS A 7   ? 0.94967 1.09595 0.39587 -0.13752 -0.11654 0.23711  326 HIS A CD2 
26   C CD2 B HIS A 7   ? 0.65691 1.03633 0.30686 -0.14242 0.03458  0.10320  326 HIS A CD2 
27   C CE1 A HIS A 7   ? 1.09767 1.23757 0.45176 -0.18997 -0.08780 0.27820  326 HIS A CE1 
28   C CE1 B HIS A 7   ? 0.67174 1.09274 0.34712 -0.19201 0.07668  0.12296  326 HIS A CE1 
29   N NE2 A HIS A 7   ? 1.06342 1.17815 0.43722 -0.15055 -0.12792 0.26591  326 HIS A NE2 
30   N NE2 B HIS A 7   ? 0.62762 1.06410 0.31384 -0.15532 0.07185  0.08584  326 HIS A NE2 
45   N N   . CYS A 8   ? 0.74348 0.94163 0.46313 -0.08424 -0.05035 0.13101  327 CYS A N   
46   C CA  . CYS A 8   ? 0.65274 0.86670 0.44802 -0.05653 -0.03658 0.09403  327 CYS A CA  
47   C C   . CYS A 8   ? 0.60805 0.87869 0.42793 -0.07036 0.00196  0.07137  327 CYS A C   
48   O O   . CYS A 8   ? 0.64836 0.97357 0.45408 -0.07445 0.01883  0.05194  327 CYS A O   
49   C CB  . CYS A 8   ? 0.64098 0.87671 0.46442 -0.02646 -0.04785 0.06616  327 CYS A CB  
50   S SG  . CYS A 8   ? 0.60974 0.84971 0.51581 0.00348  -0.03553 0.03443  327 CYS A SG  
56   N N   . GLN A 9   ? 0.52993 0.78880 0.38508 -0.07302 0.01203  0.06984  328 GLN A N   
57   C CA  . GLN A 9   ? 0.47239 0.78756 0.35958 -0.07934 0.04232  0.04676  328 GLN A CA  
58   C C   . GLN A 9   ? 0.47829 0.76792 0.41145 -0.06377 0.04101  0.03654  328 GLN A C   
59   O O   . GLN A 9   ? 0.52485 0.75462 0.45573 -0.05740 0.02061  0.05107  328 GLN A O   
60   C CB  . GLN A 9   ? 0.59954 0.95300 0.45815 -0.12120 0.05924  0.06767  328 GLN A CB  
61   C CG  . GLN A 9   ? 0.67936 0.98084 0.52758 -0.15082 0.04421  0.10383  328 GLN A CG  
62   C CD  . GLN A 9   ? 0.95377 1.26570 0.74713 -0.19941 0.04963  0.14292  328 GLN A CD  
63   O OE1 . GLN A 9   ? 1.10903 1.35163 0.85175 -0.21224 0.02269  0.17962  328 GLN A OE1 
64   N NE2 . GLN A 9   ? 0.77377 1.17426 0.57587 -0.22570 0.08467  0.13605  328 GLN A NE2 
73   N N   . LYS A 10  ? 0.41017 0.74393 0.38014 -0.05380 0.06067  0.00912  329 LYS A N   
74   C CA  . LYS A 10  ? 0.47740 0.79472 0.48350 -0.03860 0.05944  -0.00188 329 LYS A CA  
75   C C   . LYS A 10  ? 0.49954 0.82102 0.51044 -0.06693 0.05710  0.01293  329 LYS A C   
76   O O   . LYS A 10  ? 0.55955 0.93723 0.57176 -0.09501 0.07203  0.01738  329 LYS A O   
77   C CB  . LYS A 10  ? 0.42759 0.78356 0.46691 -0.01543 0.07478  -0.03422 329 LYS A CB  
78   C CG  . LYS A 10  ? 0.52906 0.85816 0.59412 0.00571  0.06933  -0.04289 329 LYS A CG  
79   C CD  . LYS A 10  ? 0.29958 0.64866 0.38961 0.03095  0.07834  -0.06993 329 LYS A CD  
80   C CE  . LYS A 10  ? 0.31038 0.70423 0.42050 0.02799  0.08330  -0.08314 329 LYS A CE  
81   N NZ  . LYS A 10  ? 0.64654 1.01749 0.76965 0.05492  0.07778  -0.10181 329 LYS A NZ  
95   N N   . THR A 11  ? 0.43093 0.69737 0.44509 -0.06121 0.03871  0.01871  330 THR A N   
96   C CA  . THR A 11  ? 0.49540 0.75512 0.51656 -0.09037 0.02869  0.02998  330 THR A CA  
97   C C   . THR A 11  ? 0.47026 0.70702 0.51267 -0.06545 0.01776  0.01081  330 THR A C   
98   O O   . THR A 11  ? 0.42656 0.64396 0.46917 -0.02898 0.01960  -0.00378 330 THR A O   
99   C CB  . THR A 11  ? 0.60070 0.79125 0.58317 -0.11635 0.00570  0.06173  330 THR A CB  
100  O OG1 . THR A 11  ? 0.71493 0.82981 0.68205 -0.08247 -0.01533 0.05752  330 THR A OG1 
101  C CG2 . THR A 11  ? 0.95747 1.16092 0.90416 -0.13754 0.01254  0.08554  330 THR A CG2 
109  N N   . SER A 12  ? 0.46327 0.70380 0.52139 -0.08827 0.00545  0.01205  331 SER A N   
110  C CA  . SER A 12  ? 0.48117 0.71157 0.55562 -0.06491 -0.00695 -0.00857 331 SER A CA  
111  C C   . SER A 12  ? 0.55218 0.69379 0.59019 -0.04155 -0.02763 -0.00954 331 SER A C   
112  O O   . SER A 12  ? 0.60487 0.68827 0.61499 -0.05393 -0.04291 0.00586  331 SER A O   
113  C CB  . SER A 12  ? 0.52008 0.78934 0.62789 -0.09776 -0.01899 -0.01046 331 SER A CB  
114  O OG  . SER A 12  ? 0.70035 0.95884 0.81806 -0.07278 -0.03720 -0.03128 331 SER A OG  
120  N N   . LEU A 13  ? 0.49674 0.62704 0.53140 -0.00514 -0.02820 -0.02799 332 LEU A N   
121  C CA  . LEU A 13  ? 0.53653 0.59539 0.53501 0.01945  -0.04481 -0.03518 332 LEU A CA  
122  C C   . LEU A 13  ? 0.47928 0.54300 0.47349 0.04452  -0.04936 -0.05334 332 LEU A C   
123  O O   . LEU A 13  ? 0.53331 0.61305 0.52640 0.07076  -0.03110 -0.05712 332 LEU A O   
124  C CB  . LEU A 13  ? 0.56516 0.59773 0.54502 0.04578  -0.03197 -0.03149 332 LEU A CB  
125  C CG  . LEU A 13  ? 0.65145 0.62440 0.59637 0.07802  -0.04307 -0.04455 332 LEU A CG  
126  C CD1 . LEU A 13  ? 0.71843 0.62620 0.64068 0.06404  -0.07577 -0.04462 332 LEU A CD1 
127  C CD2 . LEU A 13  ? 0.57273 0.54490 0.51453 0.10777  -0.02500 -0.04472 332 LEU A CD2 
139  N N   . ARG A 14  ? 0.56355 0.60715 0.55113 0.03431  -0.07730 -0.06288 333 ARG A N   
140  C CA  . ARG A 14  ? 0.56028 0.60104 0.53257 0.05823  -0.09055 -0.07970 333 ARG A CA  
141  C C   . ARG A 14  ? 0.60611 0.57847 0.51937 0.08985  -0.09606 -0.09022 333 ARG A C   
142  O O   . ARG A 14  ? 0.67839 0.59595 0.56806 0.08380  -0.11673 -0.09679 333 ARG A O   
143  C CB  . ARG A 14  ? 0.63533 0.69622 0.63236 0.03146  -0.12254 -0.08885 333 ARG A CB  
144  C CG  . ARG A 14  ? 0.82566 0.97556 0.88225 0.02122  -0.11587 -0.08939 333 ARG A CG  
145  C CD  . ARG A 14  ? 0.83698 1.01570 0.92264 0.00299  -0.15175 -0.10328 333 ARG A CD  
146  N NE  . ARG A 14  ? 0.87736 1.03679 0.93154 0.04128  -0.17370 -0.11936 333 ARG A NE  
147  C CZ  . ARG A 14  ? 0.89033 1.08306 0.95254 0.07456  -0.16619 -0.12174 333 ARG A CZ  
148  N NH1 . ARG A 14  ? 0.82179 1.06941 0.92656 0.07745  -0.13754 -0.11523 333 ARG A NH1 
149  N NH2 . ARG A 14  ? 0.90651 1.06986 0.92645 0.10701  -0.19069 -0.13129 333 ARG A NH2 
163  N N   . VAL A 15  ? 0.61201 0.58635 0.49987 0.12312  -0.07730 -0.09204 334 VAL A N   
164  C CA  . VAL A 15  ? 0.60793 0.53599 0.43887 0.15587  -0.07170 -0.10211 334 VAL A CA  
165  C C   . VAL A 15  ? 0.68988 0.60054 0.47448 0.17417  -0.09180 -0.11613 334 VAL A C   
166  O O   . VAL A 15  ? 0.59859 0.53867 0.39031 0.17805  -0.09161 -0.10913 334 VAL A O   
167  C CB  . VAL A 15  ? 0.59322 0.54133 0.42504 0.17422  -0.03218 -0.08967 334 VAL A CB  
168  C CG1 . VAL A 15  ? 0.68343 0.60266 0.45914 0.20740  -0.01996 -0.10038 334 VAL A CG1 
169  C CG2 . VAL A 15  ? 0.60648 0.57048 0.47924 0.15928  -0.01891 -0.07870 334 VAL A CG2 
179  N N   . ASN A 16  ? 0.70664 0.56488 0.43792 0.19003  -0.11128 -0.13740 335 ASN A N   
180  C CA  . ASN A 16  ? 0.74995 0.58427 0.41774 0.21265  -0.13152 -0.15408 335 ASN A CA  
181  C C   . ASN A 16  ? 0.78602 0.60431 0.38906 0.25024  -0.09956 -0.15698 335 ASN A C   
182  O O   . ASN A 16  ? 0.82632 0.62366 0.41653 0.26546  -0.08510 -0.16868 335 ASN A O   
183  C CB  . ASN A 16  ? 0.77958 0.56555 0.42573 0.20330  -0.17925 -0.18198 335 ASN A CB  
184  C CG  . ASN A 16  ? 0.99401 0.75200 0.56467 0.22873  -0.20582 -0.20417 335 ASN A CG  
185  O OD1 . ASN A 16  ? 1.11358 0.85903 0.62164 0.26242  -0.18188 -0.20598 335 ASN A OD1 
186  N ND2 . ASN A 16  ? 0.94877 0.70560 0.53143 0.20882  -0.25391 -0.21770 335 ASN A ND2 
193  N N   . PHE A 17  ? 0.83227 0.66161 0.39351 0.26605  -0.08929 -0.14592 336 PHE A N   
194  C CA  . PHE A 17  ? 0.90011 0.73395 0.41853 0.28808  -0.04768 -0.13493 336 PHE A CA  
195  C C   . PHE A 17  ? 0.88554 0.69327 0.35892 0.30538  -0.05126 -0.15351 336 PHE A C   
196  O O   . PHE A 17  ? 0.92859 0.75488 0.40083 0.31487  -0.01534 -0.14798 336 PHE A O   
197  C CB  . PHE A 17  ? 0.90532 0.74905 0.38943 0.29319  -0.03714 -0.10937 336 PHE A CB  
198  C CG  . PHE A 17  ? 0.86339 0.73913 0.41157 0.27431  -0.02000 -0.08243 336 PHE A CG  
199  C CD1 . PHE A 17  ? 0.80500 0.70675 0.39099 0.26641  0.02215  -0.06767 336 PHE A CD1 
200  C CD2 . PHE A 17  ? 0.79917 0.68340 0.37865 0.26481  -0.04864 -0.07438 336 PHE A CD2 
201  C CE1 . PHE A 17  ? 0.75789 0.68366 0.40371 0.24716  0.03360  -0.04646 336 PHE A CE1 
202  C CE2 . PHE A 17  ? 0.80069 0.71111 0.44080 0.25075  -0.03430 -0.05475 336 PHE A CE2 
203  C CZ  . PHE A 17  ? 0.75398 0.68018 0.42314 0.24082  0.00599  -0.04130 336 PHE A CZ  
213  N N   . GLU A 18  ? 0.95443 0.72503 0.39449 0.30893  -0.09447 -0.17749 337 GLU A N   
214  C CA  . GLU A 18  ? 1.08189 0.82586 0.47786 0.32869  -0.09727 -0.19934 337 GLU A CA  
215  C C   . GLU A 18  ? 1.03924 0.76511 0.46889 0.33038  -0.09928 -0.21738 337 GLU A C   
216  O O   . GLU A 18  ? 1.06831 0.79032 0.47678 0.35195  -0.08417 -0.23092 337 GLU A O   
217  C CB  . GLU A 18  ? 1.19005 0.89686 0.54075 0.33125  -0.14527 -0.22059 337 GLU A CB  
218  C CG  . GLU A 18  ? 1.32525 0.99235 0.70410 0.31409  -0.19327 -0.24697 337 GLU A CG  
219  C CD  . GLU A 18  ? 1.58919 1.22955 0.93681 0.30965  -0.24269 -0.26597 337 GLU A CD  
220  O OE1 . GLU A 18  ? 1.45317 1.09567 0.74205 0.32937  -0.23911 -0.26479 337 GLU A OE1 
221  O OE2 . GLU A 18  ? 1.67236 1.29108 1.05594 0.28290  -0.28556 -0.28069 337 GLU A OE2 
228  N N   . ASP A 19  ? 1.02167 0.73711 0.50239 0.30881  -0.11752 -0.21742 338 ASP A N   
229  C CA  . ASP A 19  ? 1.09469 0.78541 0.60563 0.31026  -0.12105 -0.22805 338 ASP A CA  
230  C C   . ASP A 19  ? 1.00180 0.73897 0.54021 0.32447  -0.07313 -0.21311 338 ASP A C   
231  O O   . ASP A 19  ? 1.00506 0.72777 0.55376 0.33966  -0.07312 -0.22591 338 ASP A O   
232  C CB  . ASP A 19  ? 1.04922 0.71865 0.60498 0.27907  -0.14794 -0.22564 338 ASP A CB  
233  C CG  . ASP A 19  ? 1.23307 0.85394 0.77676 0.25541  -0.20304 -0.24460 338 ASP A CG  
234  O OD1 . ASP A 19  ? 1.26656 0.86744 0.76651 0.26849  -0.22125 -0.26115 338 ASP A OD1 
235  O OD2 . ASP A 19  ? 1.15817 0.76964 0.74467 0.21750  -0.22702 -0.23845 338 ASP A OD2 
240  N N   . ILE A 20  ? 0.91332 0.70566 0.46777 0.31811  -0.03583 -0.18660 339 ILE A N   
241  C CA  . ILE A 20  ? 0.86978 0.71394 0.46079 0.32202  0.00746  -0.17122 339 ILE A CA  
242  C C   . ILE A 20  ? 0.88945 0.76420 0.44265 0.33564  0.04002  -0.16729 339 ILE A C   
243  O O   . ILE A 20  ? 0.85977 0.78464 0.44377 0.33319  0.07808  -0.15409 339 ILE A O   
244  C CB  . ILE A 20  ? 0.82057 0.70302 0.46726 0.29809  0.02589  -0.14362 339 ILE A CB  
245  C CG1 . ILE A 20  ? 0.91726 0.80314 0.54281 0.28643  0.02418  -0.12811 339 ILE A CG1 
246  C CG2 . ILE A 20  ? 0.80138 0.66227 0.48899 0.28756  0.00266  -0.14798 339 ILE A CG2 
247  C CD1 . ILE A 20  ? 0.83714 0.76748 0.50364 0.26943  0.05558  -0.09904 339 ILE A CD1 
259  N N   . GLY A 21  ? 0.94903 0.79561 0.43559 0.34750  0.02491  -0.17892 340 GLY A N   
260  C CA  . GLY A 21  ? 1.01310 0.88365 0.45181 0.36084  0.05543  -0.17676 340 GLY A CA  
261  C C   . GLY A 21  ? 1.04999 0.95217 0.47949 0.34421  0.08584  -0.14169 340 GLY A C   
262  O O   . GLY A 21  ? 1.10359 1.03736 0.50684 0.34715  0.12217  -0.13341 340 GLY A O   
266  N N   . TRP A 22  ? 0.93407 0.82726 0.38214 0.32641  0.07216  -0.12136 341 TRP A N   
267  C CA  . TRP A 22  ? 0.92747 0.83588 0.36114 0.31270  0.09489  -0.08694 341 TRP A CA  
268  C C   . TRP A 22  ? 1.06074 0.93102 0.42087 0.31993  0.06858  -0.08098 341 TRP A C   
269  O O   . TRP A 22  ? 1.01439 0.88436 0.34530 0.31190  0.08379  -0.05006 341 TRP A O   
270  C CB  . TRP A 22  ? 0.84265 0.76627 0.34219 0.29238  0.09815  -0.06812 341 TRP A CB  
271  C CG  . TRP A 22  ? 0.83543 0.80587 0.40309 0.27920  0.13155  -0.06145 341 TRP A CG  
272  C CD1 . TRP A 22  ? 0.83400 0.83339 0.41895 0.28701  0.15077  -0.07652 341 TRP A CD1 
273  C CD2 . TRP A 22  ? 0.76576 0.76171 0.39482 0.25719  0.14615  -0.04112 341 TRP A CD2 
274  N NE1 . TRP A 22  ? 0.73987 0.78362 0.39577 0.27014  0.17360  -0.06658 341 TRP A NE1 
275  C CE2 . TRP A 22  ? 0.74381 0.78477 0.42707 0.24996  0.17056  -0.04468 341 TRP A CE2 
276  C CE3 . TRP A 22  ? 0.82570 0.81131 0.46913 0.24535  0.13917  -0.02358 341 TRP A CE3 
277  C CZ2 . TRP A 22  ? 0.66910 0.74356 0.41972 0.22768  0.18478  -0.03080 341 TRP A CZ2 
278  C CZ3 . TRP A 22  ? 0.70434 0.72065 0.41323 0.22476  0.15698  -0.01016 341 TRP A CZ3 
279  C CH2 . TRP A 22  ? 0.70569 0.76537 0.46703 0.21414  0.17767  -0.01350 341 TRP A CH2 
290  N N   . ASP A 23  ? 1.03304 0.86790 0.36290 0.33326  0.02597  -0.10894 342 ASP A N   
291  C CA  . ASP A 23  ? 1.18503 0.98747 0.45068 0.34049  -0.00677 -0.10708 342 ASP A CA  
292  C C   . ASP A 23  ? 1.24310 1.04564 0.43178 0.34878  0.01798  -0.09309 342 ASP A C   
293  O O   . ASP A 23  ? 1.26407 1.04107 0.39588 0.35250  -0.00465 -0.08112 342 ASP A O   
294  C CB  . ASP A 23  ? 1.16042 0.93002 0.41659 0.34881  -0.05716 -0.14424 342 ASP A CB  
295  C CG  . ASP A 23  ? 1.36280 1.12351 0.59341 0.36542  -0.04976 -0.17350 342 ASP A CG  
296  O OD1 . ASP A 23  ? 1.29527 1.08627 0.54480 0.36889  -0.00727 -0.16993 342 ASP A OD1 
297  O OD2 . ASP A 23  ? 1.56861 1.29410 0.76377 0.37523  -0.08847 -0.20190 342 ASP A OD2 
302  N N   . SER A 24  ? 1.28445 1.11878 0.47101 0.35070  0.06225  -0.09477 343 SER A N   
303  C CA  . SER A 24  ? 1.53736 1.38124 0.64952 0.35306  0.09176  -0.08070 343 SER A CA  
304  C C   . SER A 24  ? 1.49302 1.34208 0.59090 0.33093  0.11585  -0.03187 343 SER A C   
305  O O   . SER A 24  ? 1.52867 1.37055 0.55000 0.32774  0.12862  -0.01162 343 SER A O   
306  C CB  . SER A 24  ? 1.52926 1.41738 0.65295 0.35963  0.13407  -0.09930 343 SER A CB  
307  O OG  . SER A 24  ? 1.46132 1.38739 0.67622 0.34746  0.15706  -0.09579 343 SER A OG  
313  N N   . TRP A 25  ? 1.22825 1.08242 0.39276 0.31538  0.11740  -0.01288 344 TRP A N   
314  C CA  . TRP A 25  ? 1.32314 1.17292 0.47891 0.29266  0.13875  0.03486  344 TRP A CA  
315  C C   . TRP A 25  ? 1.30956 1.12501 0.49385 0.29207  0.10249  0.04756  344 TRP A C   
316  O O   . TRP A 25  ? 1.46308 1.25351 0.62681 0.27923  0.10559  0.08624  344 TRP A O   
317  C CB  . TRP A 25  ? 1.20449 1.10821 0.41498 0.26914  0.19283  0.04883  344 TRP A CB  
318  C CG  . TRP A 25  ? 1.16243 1.08613 0.46841 0.26009  0.19442  0.04486  344 TRP A CG  
319  C CD1 . TRP A 25  ? 1.22210 1.17091 0.59424 0.26942  0.18731  0.01108  344 TRP A CD1 
320  C CD2 . TRP A 25  ? 1.13352 1.04945 0.47518 0.23815  0.20283  0.07802  344 TRP A CD2 
321  N NE1 . TRP A 25  ? 1.12635 1.08956 0.57238 0.25397  0.19112  0.02043  344 TRP A NE1 
322  C CE2 . TRP A 25  ? 1.09151 1.03630 0.52112 0.23587  0.20206  0.05922  344 TRP A CE2 
323  C CE3 . TRP A 25  ? 1.25615 1.13565 0.56058 0.21991  0.20747  0.12261  344 TRP A CE3 
324  C CZ2 . TRP A 25  ? 1.09936 1.04443 0.58006 0.21750  0.20928  0.07990  344 TRP A CZ2 
325  C CZ3 . TRP A 25  ? 1.25381 1.12408 0.60971 0.20212  0.21255  0.14450  344 TRP A CZ3 
326  C CH2 . TRP A 25  ? 1.24032 1.14622 0.68206 0.20188  0.21543  0.12173  344 TRP A CH2 
337  N N   . ILE A 26  ? 1.21997 1.03292 0.44807 0.30432  0.06752  0.01625  345 ILE A N   
338  C CA  . ILE A 26  ? 1.06457 0.85796 0.32282 0.30576  0.03090  0.02113  345 ILE A CA  
339  C C   . ILE A 26  ? 1.13039 0.89678 0.35377 0.32293  -0.02485 0.00076  345 ILE A C   
340  O O   . ILE A 26  ? 1.13092 0.90339 0.37068 0.32931  -0.04876 -0.03573 345 ILE A O   
341  C CB  . ILE A 26  ? 1.01520 0.83878 0.35756 0.29902  0.03389  0.00256  345 ILE A CB  
342  C CG1 . ILE A 26  ? 0.95555 0.79961 0.33897 0.28015  0.07714  0.03065  345 ILE A CG1 
343  C CG2 . ILE A 26  ? 1.08682 0.90352 0.46074 0.30388  -0.01656 -0.01105 345 ILE A CG2 
344  C CD1 . ILE A 26  ? 0.92215 0.80293 0.40265 0.26709  0.08264  0.01278  345 ILE A CD1 
356  N N   . ILE A 27  ? 1.21572 0.94996 0.39479 0.32809  -0.04831 0.02512  346 ILE A N   
357  C CA  . ILE A 27  ? 1.22557 0.94195 0.38351 0.34309  -0.10477 0.00685  346 ILE A CA  
358  C C   . ILE A 27  ? 1.15003 0.88787 0.38924 0.34374  -0.14508 -0.01375 346 ILE A C   
359  O O   . ILE A 27  ? 1.15133 0.89987 0.41027 0.34642  -0.18385 -0.04622 346 ILE A O   
360  C CB  . ILE A 27  ? 1.32583 1.00343 0.41903 0.34890  -0.11994 0.04077  346 ILE A CB  
361  C CG1 . ILE A 27  ? 1.43575 1.10238 0.45938 0.33725  -0.06945 0.07221  346 ILE A CG1 
362  C CG2 . ILE A 27  ? 1.42542 1.08999 0.48472 0.36504  -0.17311 0.01925  346 ILE A CG2 
363  C CD1 . ILE A 27  ? 1.50230 1.12459 0.46371 0.33471  -0.07955 0.11637  346 ILE A CD1 
375  N N   . ALA A 28  ? 1.08576 0.83396 0.37714 0.33869  -0.13681 0.00473  347 ALA A N   
376  C CA  . ALA A 28  ? 1.04856 0.83065 0.42548 0.33936  -0.17224 -0.01240 347 ALA A CA  
377  C C   . ALA A 28  ? 0.95557 0.75832 0.40292 0.32416  -0.13731 0.00138  347 ALA A C   
378  O O   . ALA A 28  ? 0.97799 0.75267 0.39882 0.31984  -0.10477 0.03324  347 ALA A O   
379  C CB  . ALA A 28  ? 1.08097 0.85449 0.46813 0.35383  -0.21812 -0.00788 347 ALA A CB  
385  N N   . PRO A 29  ? 0.87550 0.72839 0.42071 0.30813  -0.14012 -0.02175 348 PRO A N   
386  C CA  . PRO A 29  ? 0.84851 0.73991 0.44018 0.30190  -0.17592 -0.05506 348 PRO A CA  
387  C C   . PRO A 29  ? 0.85298 0.73459 0.41245 0.29190  -0.17029 -0.07608 348 PRO A C   
388  O O   . PRO A 29  ? 0.86426 0.72199 0.37621 0.29358  -0.13340 -0.06815 348 PRO A O   
389  C CB  . PRO A 29  ? 0.77676 0.72267 0.47660 0.28219  -0.16379 -0.06183 348 PRO A CB  
390  C CG  . PRO A 29  ? 0.74396 0.67502 0.44372 0.27219  -0.11380 -0.04171 348 PRO A CG  
391  C CD  . PRO A 29  ? 0.90068 0.77651 0.51877 0.28993  -0.10567 -0.01344 348 PRO A CD  
399  N N   . LYS A 30  ? 0.84894 0.74961 0.43801 0.28153  -0.20775 -0.10411 349 LYS A N   
400  C CA  . LYS A 30  ? 0.89502 0.77142 0.45479 0.27248  -0.20891 -0.12771 349 LYS A CA  
401  C C   . LYS A 30  ? 0.85778 0.75414 0.48491 0.24629  -0.17654 -0.12704 349 LYS A C   
402  O O   . LYS A 30  ? 0.80494 0.67254 0.39841 0.25040  -0.15280 -0.13271 349 LYS A O   
403  C CB  . LYS A 30  ? 0.92916 0.80785 0.49420 0.26504  -0.26691 -0.15696 349 LYS A CB  
404  C CG  . LYS A 30  ? 1.29767 1.12714 0.78259 0.28066  -0.28091 -0.16892 349 LYS A CG  
405  C CD  . LYS A 30  ? 1.15236 0.95988 0.56620 0.30795  -0.26350 -0.14445 349 LYS A CD  
406  C CE  . LYS A 30  ? 1.41049 1.17940 0.74774 0.32168  -0.27961 -0.15707 349 LYS A CE  
407  N NZ  . LYS A 30  ? 1.45052 1.20001 0.71814 0.34224  -0.26826 -0.12955 349 LYS A NZ  
421  N N   . GLU A 31  ? 0.73662 0.68323 0.45261 0.22354  -0.17687 -0.12186 350 GLU A N   
422  C CA  . GLU A 31  ? 0.70950 0.67665 0.48403 0.19664  -0.15039 -0.11805 350 GLU A CA  
423  C C   . GLU A 31  ? 0.65797 0.67357 0.49353 0.19147  -0.12802 -0.10178 350 GLU A C   
424  O O   . GLU A 31  ? 0.63220 0.66975 0.48147 0.20507  -0.14451 -0.10037 350 GLU A O   
425  C CB  . GLU A 31  ? 0.74362 0.72549 0.56322 0.16395  -0.18018 -0.13378 350 GLU A CB  
426  C CG  . GLU A 31  ? 1.09854 1.02845 0.86463 0.16641  -0.21718 -0.15728 350 GLU A CG  
427  C CD  . GLU A 31  ? 1.08397 1.00973 0.89170 0.12560  -0.24420 -0.16866 350 GLU A CD  
428  O OE1 . GLU A 31  ? 0.99440 0.96910 0.87375 0.09277  -0.23221 -0.15491 350 GLU A OE1 
429  O OE2 . GLU A 31  ? 1.16419 1.03449 0.92812 0.12521  -0.27757 -0.19114 350 GLU A OE2 
436  N N   . TYR A 32  ? 0.58076 0.60854 0.44754 0.17670  -0.09551 -0.09247 351 TYR A N   
437  C CA  . TYR A 32  ? 0.52312 0.59591 0.44583 0.17052  -0.07731 -0.08405 351 TYR A CA  
438  C C   . TYR A 32  ? 0.50252 0.60024 0.46668 0.14142  -0.06044 -0.08221 351 TYR A C   
439  O O   . TYR A 32  ? 0.49875 0.56819 0.44519 0.12972  -0.06135 -0.08273 351 TYR A O   
440  C CB  . TYR A 32  ? 0.51931 0.56984 0.41692 0.19065  -0.05278 -0.06837 351 TYR A CB  
441  C CG  . TYR A 32  ? 0.49095 0.52658 0.37891 0.18424  -0.01888 -0.05822 351 TYR A CG  
442  C CD1 . TYR A 32  ? 0.58472 0.58855 0.42594 0.19124  -0.01145 -0.05922 351 TYR A CD1 
443  C CD2 . TYR A 32  ? 0.47567 0.53447 0.40439 0.17367  0.00330  -0.05204 351 TYR A CD2 
444  C CE1 . TYR A 32  ? 0.62081 0.62415 0.46405 0.18949  0.01766  -0.05270 351 TYR A CE1 
445  C CE2 . TYR A 32  ? 0.41871 0.47225 0.34630 0.16777  0.02892  -0.04432 351 TYR A CE2 
446  C CZ  . TYR A 32  ? 0.49775 0.52788 0.38723 0.17613  0.03649  -0.04392 351 TYR A CZ  
447  O OH  . TYR A 32  ? 0.45537 0.49274 0.35380 0.17431  0.06089  -0.03876 351 TYR A OH  
457  N N   . GLU A 33  ? 0.44427 0.59246 0.45946 0.13245  -0.04824 -0.08138 352 GLU A N   
458  C CA  . GLU A 33  ? 0.41537 0.59257 0.46214 0.10530  -0.03072 -0.07688 352 GLU A CA  
459  C C   . GLU A 33  ? 0.38454 0.54183 0.41758 0.11418  -0.00390 -0.06749 352 GLU A C   
460  O O   . GLU A 33  ? 0.37337 0.54374 0.41993 0.12610  0.00808  -0.06862 352 GLU A O   
461  C CB  . GLU A 33  ? 0.42882 0.68034 0.53275 0.09261  -0.02921 -0.08535 352 GLU A CB  
462  C CG  . GLU A 33  ? 0.45952 0.74456 0.58385 0.06353  -0.00896 -0.07865 352 GLU A CG  
463  C CD  . GLU A 33  ? 0.49538 0.75611 0.60553 0.03042  -0.01874 -0.06619 352 GLU A CD  
464  O OE1 . GLU A 33  ? 0.62116 0.88842 0.74310 0.01302  -0.04120 -0.06964 352 GLU A OE1 
465  O OE2 . GLU A 33  ? 0.50467 0.73552 0.59242 0.02197  -0.00833 -0.05324 352 GLU A OE2 
472  N N   . ALA A 34  ? 0.39318 0.51760 0.40258 0.10942  0.00208  -0.06029 353 ALA A N   
473  C CA  . ALA A 34  ? 0.42929 0.54599 0.43567 0.11536  0.02442  -0.05266 353 ALA A CA  
474  C C   . ALA A 34  ? 0.34537 0.49098 0.37742 0.09462  0.03205  -0.04860 353 ALA A C   
475  O O   . ALA A 34  ? 0.34437 0.49659 0.38429 0.09734  0.04670  -0.04579 353 ALA A O   
476  C CB  . ALA A 34  ? 0.41359 0.49010 0.38611 0.12859  0.02636  -0.05064 353 ALA A CB  
482  N N   . TYR A 35  ? 0.36724 0.52887 0.40865 0.07128  0.02101  -0.04672 354 TYR A N   
483  C CA  . TYR A 35  ? 0.37154 0.54854 0.41811 0.04828  0.02482  -0.03650 354 TYR A CA  
484  C C   . TYR A 35  ? 0.38711 0.52592 0.41405 0.05721  0.02344  -0.02767 354 TYR A C   
485  O O   . TYR A 35  ? 0.38682 0.49828 0.40254 0.08142  0.02570  -0.03195 354 TYR A O   
486  C CB  . TYR A 35  ? 0.34237 0.57176 0.41140 0.04400  0.04179  -0.04276 354 TYR A CB  
487  C CG  . TYR A 35  ? 0.37218 0.65071 0.46943 0.04335  0.04391  -0.05679 354 TYR A CG  
488  C CD1 . TYR A 35  ? 0.40950 0.73320 0.52391 0.01574  0.04234  -0.05448 354 TYR A CD1 
489  C CD2 . TYR A 35  ? 0.39982 0.68114 0.50923 0.07030  0.04640  -0.07136 354 TYR A CD2 
490  C CE1 . TYR A 35  ? 0.53541 0.92030 0.68763 0.01902  0.04463  -0.07109 354 TYR A CE1 
491  C CE2 . TYR A 35  ? 0.38512 0.71284 0.52527 0.07819  0.04372  -0.08742 354 TYR A CE2 
492  C CZ  . TYR A 35  ? 0.42914 0.81594 0.59521 0.05455  0.04368  -0.08964 354 TYR A CZ  
493  O OH  . TYR A 35  ? 0.55108 0.99989 0.75937 0.06613  0.04136  -0.10927 354 TYR A OH  
503  N N   . GLU A 36  ? 0.40476 0.54703 0.42695 0.03876  0.01974  -0.01502 355 GLU A N   
504  C CA  . GLU A 36  ? 0.42357 0.53976 0.43411 0.04940  0.01346  -0.00678 355 GLU A CA  
505  C C   . GLU A 36  ? 0.44550 0.58884 0.45193 0.02826  0.01424  0.00501  355 GLU A C   
506  O O   . GLU A 36  ? 0.42725 0.60228 0.43270 0.00220  0.02015  0.00920  355 GLU A O   
507  C CB  . GLU A 36  ? 0.50960 0.56380 0.49591 0.05477  -0.00975 -0.00039 355 GLU A CB  
508  C CG  . GLU A 36  ? 0.62925 0.66121 0.59952 0.01905  -0.02736 0.01565  355 GLU A CG  
509  C CD  . GLU A 36  ? 0.76671 0.71868 0.70909 0.02459  -0.05708 0.02113  355 GLU A CD  
510  O OE1 . GLU A 36  ? 0.87838 0.80040 0.81492 0.06255  -0.06225 0.00949  355 GLU A OE1 
511  O OE2 . GLU A 36  ? 0.88123 0.80088 0.80941 -0.00937 -0.07552 0.03589  355 GLU A OE2 
518  N N   . CYS A 37  ? 0.43374 0.57082 0.43803 0.04121  0.00827  0.00881  356 CYS A N   
519  C CA  . CYS A 37  ? 0.49618 0.65395 0.48555 0.02529  0.00342  0.01993  356 CYS A CA  
520  C C   . CYS A 37  ? 0.56854 0.67442 0.52532 0.02011  -0.02383 0.04427  356 CYS A C   
521  O O   . CYS A 37  ? 0.60673 0.67812 0.56859 0.04775  -0.03955 0.04270  356 CYS A O   
522  C CB  . CYS A 37  ? 0.39813 0.58410 0.40993 0.04282  0.00770  0.00648  356 CYS A CB  
523  S SG  . CYS A 37  ? 0.33547 0.56259 0.37651 0.04412  0.03340  -0.01859 356 CYS A SG  
528  N N   . LYS A 38  ? 0.53189 0.63288 0.45649 -0.01407 -0.02848 0.06616  357 LYS A N   
529  C CA  . LYS A 38  ? 0.71056 0.74450 0.59510 -0.02492 -0.05881 0.09625  357 LYS A CA  
530  C C   . LYS A 38  ? 0.71732 0.76779 0.55899 -0.05299 -0.06220 0.12192  357 LYS A C   
531  O O   . LYS A 38  ? 0.60171 0.71712 0.44280 -0.07408 -0.03609 0.11587  357 LYS A O   
532  C CB  . LYS A 38  ? 0.79393 0.78566 0.67173 -0.04907 -0.06540 0.10565  357 LYS A CB  
533  C CG  . LYS A 38  ? 1.08955 0.98925 0.92599 -0.06077 -0.10192 0.13545  357 LYS A CG  
534  C CD  . LYS A 38  ? 1.13736 1.00819 0.96493 -0.10592 -0.10679 0.15083  357 LYS A CD  
535  C CE  . LYS A 38  ? 1.12740 1.01053 0.99287 -0.09432 -0.09850 0.11917  357 LYS A CE  
536  N NZ  . LYS A 38  ? 1.27078 1.12088 1.13234 -0.13972 -0.11248 0.13230  357 LYS A NZ  
550  N N   . GLY A 39  ? 0.62511 0.79414 0.75151 -0.31339 -0.30620 0.25694  358 GLY A N   
551  C CA  . GLY A 39  ? 0.56841 0.79299 0.76113 -0.29771 -0.27098 0.26483  358 GLY A CA  
552  C C   . GLY A 39  ? 0.56792 0.76423 0.69559 -0.28081 -0.23642 0.22103  358 GLY A C   
553  O O   . GLY A 39  ? 0.68248 0.82636 0.72716 -0.27485 -0.23567 0.18630  358 GLY A O   
557  N N   . GLY A 40  ? 0.60275 0.82580 0.75870 -0.26542 -0.20041 0.22312  359 GLY A N   
558  C CA  . GLY A 40  ? 0.72267 0.90838 0.81237 -0.24504 -0.16698 0.18526  359 GLY A CA  
559  C C   . GLY A 40  ? 0.51336 0.72659 0.60271 -0.20649 -0.12153 0.16906  359 GLY A C   
560  O O   . GLY A 40  ? 0.56221 0.83199 0.71621 -0.19059 -0.10467 0.18828  359 GLY A O   
564  N N   . CYS A 41  ? 0.47871 0.64743 0.49933 -0.19226 -0.10535 0.13389  360 CYS A N   
565  C CA  . CYS A 41  ? 0.51209 0.70064 0.52824 -0.15979 -0.06562 0.11762  360 CYS A CA  
566  C C   . CYS A 41  ? 0.55510 0.73964 0.55266 -0.15811 -0.04658 0.11375  360 CYS A C   
567  O O   . CYS A 41  ? 0.74040 0.87666 0.68804 -0.15944 -0.04998 0.09381  360 CYS A O   
568  C CB  . CYS A 41  ? 0.49186 0.64190 0.45756 -0.14707 -0.06543 0.09003  360 CYS A CB  
569  S SG  . CYS A 41  ? 0.49109 0.65147 0.48218 -0.15286 -0.09217 0.10463  360 CYS A SG  
574  N N   . PHE A 42  ? 0.42716 0.66328 0.46684 -0.15506 -0.02557 0.13558  361 PHE A N   
575  C CA  . PHE A 42  ? 0.44146 0.68232 0.46507 -0.15776 -0.00997 0.14137  361 PHE A CA  
576  C C   . PHE A 42  ? 0.43471 0.73521 0.48253 -0.14191 0.02869  0.15290  361 PHE A C   
577  O O   . PHE A 42  ? 0.41355 0.75603 0.51335 -0.13346 0.04098  0.16578  361 PHE A O   
578  C CB  . PHE A 42  ? 0.51448 0.74612 0.55936 -0.18647 -0.03509 0.16699  361 PHE A CB  
579  C CG  . PHE A 42  ? 0.56474 0.83878 0.67959 -0.20493 -0.05002 0.20396  361 PHE A CG  
580  C CD1 . PHE A 42  ? 0.54815 0.89276 0.71771 -0.20108 -0.02281 0.23647  361 PHE A CD1 
581  C CD2 . PHE A 42  ? 0.55798 0.80058 0.68242 -0.22756 -0.09201 0.20728  361 PHE A CD2 
582  C CE1 . PHE A 42  ? 0.47128 0.86078 0.72031 -0.21773 -0.03661 0.27655  361 PHE A CE1 
583  C CE2 . PHE A 42  ? 0.51448 0.79674 0.71087 -0.24853 -0.11368 0.24621  361 PHE A CE2 
584  C CZ  . PHE A 42  ? 0.55533 0.91436 0.82245 -0.24279 -0.08572 0.28344  361 PHE A CZ  
594  N N   . PHE A 43  ? 0.41932 0.72263 0.42966 -0.13826 0.04832  0.14947  362 PHE A N   
595  C CA  . PHE A 43  ? 0.42547 0.77748 0.43622 -0.12436 0.08913  0.15453  362 PHE A CA  
596  C C   . PHE A 43  ? 0.43221 0.83834 0.49193 -0.14024 0.09889  0.19870  362 PHE A C   
597  O O   . PHE A 43  ? 0.42237 0.81898 0.49377 -0.16462 0.07302  0.22324  362 PHE A O   
598  C CB  . PHE A 43  ? 0.43686 0.76855 0.37522 -0.11866 0.10185  0.13427  362 PHE A CB  
599  C CG  . PHE A 43  ? 0.43443 0.71867 0.33363 -0.10416 0.09306  0.09630  362 PHE A CG  
600  C CD1 . PHE A 43  ? 0.47661 0.76315 0.37198 -0.08143 0.11415  0.07044  362 PHE A CD1 
601  C CD2 . PHE A 43  ? 0.52281 0.76041 0.39756 -0.11240 0.06555  0.08889  362 PHE A CD2 
602  C CE1 . PHE A 43  ? 0.43947 0.68382 0.30660 -0.07073 0.10316  0.04087  362 PHE A CE1 
603  C CE2 . PHE A 43  ? 0.53599 0.73688 0.38380 -0.09986 0.05937  0.06053  362 PHE A CE2 
604  C CZ  . PHE A 43  ? 0.48211 0.68696 0.32579 -0.08082 0.07574  0.03804  362 PHE A CZ  
614  N N   . PRO A 44  ? 0.43220 0.89555 0.52768 -0.12596 0.13835  0.21116  363 PRO A N   
615  C CA  . PRO A 44  ? 0.48559 0.95895 0.57819 -0.09451 0.17442  0.18228  363 PRO A CA  
616  C C   . PRO A 44  ? 0.49600 0.96417 0.65028 -0.08622 0.15531  0.17981  363 PRO A C   
617  O O   . PRO A 44  ? 0.50385 0.99514 0.72777 -0.10256 0.13126  0.21399  363 PRO A O   
618  C CB  . PRO A 44  ? 0.48557 1.00009 0.60030 -0.08236 0.21704  0.19623  363 PRO A CB  
619  C CG  . PRO A 44  ? 0.54335 1.08523 0.72135 -0.10595 0.19281  0.24346  363 PRO A CG  
620  C CD  . PRO A 44  ? 0.45702 0.95928 0.60186 -0.13370 0.14606  0.24843  363 PRO A CD  
628  N N   . LEU A 45  ? 0.47328 0.91026 0.60430 -0.06413 0.16085  0.14312  364 LEU A N   
629  C CA  . LEU A 45  ? 0.60881 1.04021 0.79513 -0.05780 0.13967  0.14461  364 LEU A CA  
630  C C   . LEU A 45  ? 0.67004 1.15915 0.94696 -0.03692 0.17434  0.16435  364 LEU A C   
631  O O   . LEU A 45  ? 0.59319 1.12054 0.87782 -0.02141 0.22401  0.16655  364 LEU A O   
632  C CB  . LEU A 45  ? 0.57589 0.95304 0.71109 -0.04358 0.13071  0.10398  364 LEU A CB  
633  C CG  . LEU A 45  ? 0.59385 0.91591 0.65709 -0.06054 0.09764  0.08773  364 LEU A CG  
634  C CD1 . LEU A 45  ? 0.69273 0.97245 0.71386 -0.04408 0.09800  0.05218  364 LEU A CD1 
635  C CD2 . LEU A 45  ? 0.53708 0.84395 0.61889 -0.08467 0.05404  0.10738  364 LEU A CD2 
647  N N   . ALA A 46  ? 0.85400 1.34804 1.19872 -0.03639 0.14847  0.17963  365 ALA A N   
648  C CA  . ALA A 46  ? 0.89690 1.44769 1.35022 -0.01479 0.17803  0.20470  365 ALA A CA  
649  C C   . ALA A 46  ? 1.01483 1.54549 1.46366 0.02335  0.21458  0.16591  365 ALA A C   
650  O O   . ALA A 46  ? 1.05666 1.52959 1.42041 0.02775  0.20751  0.12378  365 ALA A O   
651  C CB  . ALA A 46  ? 0.85684 1.42720 1.39515 -0.03571 0.12833  0.24788  365 ALA A CB  
657  N N   . ASP A 47  ? 1.02391 1.60074 1.56895 0.05074  0.25435  0.18110  366 ASP A N   
658  C CA  . ASP A 47  ? 1.12801 1.68351 1.68359 0.08989  0.29377  0.14421  366 ASP A CA  
659  C C   . ASP A 47  ? 1.16162 1.68729 1.76003 0.09256  0.25189  0.14591  366 ASP A C   
660  O O   . ASP A 47  ? 1.20914 1.69249 1.78722 0.11798  0.26938  0.10642  366 ASP A O   
661  C CB  . ASP A 47  ? 1.08356 1.66887 1.70307 0.11429  0.33808  0.14963  366 ASP A CB  
662  C CG  . ASP A 47  ? 1.20103 1.75279 1.82444 0.15342  0.37600  0.10560  366 ASP A CG  
663  O OD1 . ASP A 47  ? 1.25209 1.76185 1.77573 0.16395  0.40286  0.05353  366 ASP A OD1 
664  O OD2 . ASP A 47  ? 1.20652 1.76884 1.92931 0.17039  0.37334  0.12472  366 ASP A OD2 
669  N N   . ASP A 48  ? 0.88734 1.42091 1.51744 0.06183  0.19206  0.18452  367 ASP A N   
670  C CA  . ASP A 48  ? 0.82782 1.35103 1.51876 0.06187  0.15325  0.20229  367 ASP A CA  
671  C C   . ASP A 48  ? 0.78118 1.25794 1.39300 0.02709  0.08978  0.20089  367 ASP A C   
672  O O   . ASP A 48  ? 0.79410 1.26474 1.44564 0.01961  0.05111  0.22256  367 ASP A O   
673  C CB  . ASP A 48  ? 0.87932 1.45704 1.69878 0.05849  0.13953  0.25961  367 ASP A CB  
674  C CG  . ASP A 48  ? 0.84122 1.44116 1.65513 0.01864  0.10083  0.29817  367 ASP A CG  
675  O OD1 . ASP A 48  ? 0.84250 1.45352 1.60886 0.01102  0.12284  0.28922  367 ASP A OD1 
676  O OD2 . ASP A 48  ? 0.80722 1.40713 1.66083 -0.00581 0.04703  0.33844  367 ASP A OD2 
681  N N   . VAL A 49  ? 0.77803 1.22140 1.28051 0.00701  0.08059  0.17705  368 VAL A N   
682  C CA  . VAL A 49  ? 0.89806 1.29479 1.32384 -0.02178 0.03018  0.17193  368 VAL A CA  
683  C C   . VAL A 49  ? 0.90960 1.25541 1.27986 -0.00777 0.03083  0.13643  368 VAL A C   
684  O O   . VAL A 49  ? 0.87216 1.18170 1.18238 -0.02770 -0.00390 0.13305  368 VAL A O   
685  C CB  . VAL A 49  ? 0.77234 1.15106 1.11707 -0.04672 0.02113  0.16296  368 VAL A CB  
686  C CG1 . VAL A 49  ? 0.79544 1.21200 1.19129 -0.07415 -0.00350 0.20583  368 VAL A CG1 
687  C CG2 . VAL A 49  ? 0.74512 1.12066 1.04469 -0.02808 0.06805  0.13183  368 VAL A CG2 
697  N N   . THR A 50  ? 0.58841 0.92831 0.97754 0.02544  0.07019  0.10998  369 THR A N   
698  C CA  . THR A 50  ? 0.74657 1.03729 1.09301 0.03873  0.07098  0.07690  369 THR A CA  
699  C C   . THR A 50  ? 0.60282 0.84875 0.84236 0.02150  0.05491  0.05279  369 THR A C   
700  O O   . THR A 50  ? 0.79033 1.00779 1.00788 0.01325  0.02765  0.05423  369 THR A O   
701  C CB  . THR A 50  ? 0.91789 1.20543 1.32642 0.04010  0.04100  0.10099  369 THR A CB  
702  O OG1 . THR A 50  ? 0.71430 0.99889 1.09036 0.00639  -0.00615 0.12793  369 THR A OG1 
703  C CG2 . THR A 50  ? 0.90844 1.24074 1.44226 0.05940  0.05439  0.13065  369 THR A CG2 
711  N N   . PRO A 51  ? 0.60503 0.84631 0.78289 0.01560  0.07127  0.03527  370 PRO A N   
712  C CA  . PRO A 51  ? 0.53253 0.73779 0.62811 -0.00225 0.05289  0.02255  370 PRO A CA  
713  C C   . PRO A 51  ? 0.56870 0.73312 0.62817 0.00860  0.05453  -0.00523 370 PRO A C   
714  O O   . PRO A 51  ? 0.60518 0.76032 0.66640 0.02742  0.07824  -0.02924 370 PRO A O   
715  C CB  . PRO A 51  ? 0.55527 0.77361 0.61528 -0.00892 0.07168  0.01786  370 PRO A CB  
716  C CG  . PRO A 51  ? 0.57414 0.81854 0.66532 0.01351  0.11196  0.00803  370 PRO A CG  
717  C CD  . PRO A 51  ? 0.70006 0.96817 0.88115 0.02716  0.11133  0.02665  370 PRO A CD  
725  N N   . THR A 52  ? 0.49774 0.63557 0.52353 -0.00430 0.02968  -0.00188 371 THR A N   
726  C CA  . THR A 52  ? 0.44124 0.54373 0.43867 0.00204  0.02792  -0.02150 371 THR A CA  
727  C C   . THR A 52  ? 0.45176 0.54127 0.39356 -0.00189 0.03897  -0.04054 371 THR A C   
728  O O   . THR A 52  ? 0.42118 0.52574 0.34369 -0.01256 0.04270  -0.03322 371 THR A O   
729  C CB  . THR A 52  ? 0.45522 0.54083 0.43892 -0.00987 0.00392  -0.00639 371 THR A CB  
730  O OG1 . THR A 52  ? 0.43935 0.52283 0.38112 -0.02698 -0.00225 0.00038  371 THR A OG1 
731  C CG2 . THR A 52  ? 0.44383 0.54209 0.47694 -0.01000 -0.01250 0.01755  371 THR A CG2 
739  N N   . LYS A 53  ? 0.49296 0.55443 0.41342 0.00333  0.03884  -0.05999 372 LYS A N   
740  C CA  . LYS A 53  ? 0.42729 0.47669 0.29549 -0.00527 0.04080  -0.07139 372 LYS A CA  
741  C C   . LYS A 53  ? 0.43927 0.48604 0.28836 -0.02041 0.02713  -0.05369 372 LYS A C   
742  O O   . LYS A 53  ? 0.44631 0.49757 0.26749 -0.02993 0.02940  -0.05071 372 LYS A O   
743  C CB  . LYS A 53  ? 0.46419 0.47985 0.31532 -0.00163 0.03434  -0.09280 372 LYS A CB  
744  C CG  . LYS A 53  ? 0.57531 0.58020 0.43581 0.01519  0.05234  -0.11973 372 LYS A CG  
745  C CD  . LYS A 53  ? 0.64237 0.60715 0.45548 0.01098  0.04527  -0.14779 372 LYS A CD  
746  C CE  . LYS A 53  ? 0.73755 0.67614 0.55840 0.02999  0.06409  -0.18195 372 LYS A CE  
747  N NZ  . LYS A 53  ? 0.63951 0.56028 0.52702 0.04136  0.05095  -0.17742 372 LYS A NZ  
761  N N   . HIS A 54  ? 0.38494 0.42363 0.24904 -0.02237 0.01516  -0.04077 373 HIS A N   
762  C CA  . HIS A 54  ? 0.38756 0.41825 0.23290 -0.03264 0.01021  -0.02862 373 HIS A CA  
763  C C   . HIS A 54  ? 0.36729 0.41043 0.20482 -0.04168 0.01276  -0.02107 373 HIS A C   
764  O O   . HIS A 54  ? 0.43546 0.47087 0.25565 -0.04946 0.01350  -0.01717 373 HIS A O   
765  C CB  . HIS A 54  ? 0.42355 0.44251 0.27746 -0.03206 0.00336  -0.01791 373 HIS A CB  
766  C CG  . HIS A 54  ? 0.38678 0.39214 0.22116 -0.03748 0.00726  -0.01012 373 HIS A CG  
767  N ND1 . HIS A 54  ? 0.41020 0.40952 0.22246 -0.04496 0.01034  -0.00764 373 HIS A ND1 
768  C CD2 . HIS A 54  ? 0.37762 0.37217 0.21637 -0.03572 0.01006  -0.00426 373 HIS A CD2 
769  C CE1 . HIS A 54  ? 0.43274 0.41432 0.23346 -0.04428 0.02009  -0.00501 373 HIS A CE1 
770  N NE2 . HIS A 54  ? 0.42281 0.40589 0.24558 -0.03787 0.02108  0.00026  373 HIS A NE2 
778  N N   . ALA A 55  ? 0.38887 0.45058 0.24769 -0.04189 0.01133  -0.01558 374 ALA A N   
779  C CA  . ALA A 55  ? 0.44600 0.52003 0.30470 -0.05441 0.00799  -0.00500 374 ALA A CA  
780  C C   . ALA A 55  ? 0.41696 0.50741 0.27175 -0.05658 0.01988  -0.00546 374 ALA A C   
781  O O   . ALA A 55  ? 0.42393 0.51278 0.27022 -0.06948 0.01570  0.00369  374 ALA A O   
782  C CB  . ALA A 55  ? 0.46549 0.56248 0.36130 -0.05610 -0.00043 0.00822  374 ALA A CB  
788  N N   . ILE A 56  ? 0.42778 0.53085 0.28502 -0.04529 0.03474  -0.01609 375 ILE A N   
789  C CA  . ILE A 56  ? 0.43033 0.54927 0.26942 -0.04928 0.04789  -0.01543 375 ILE A CA  
790  C C   . ILE A 56  ? 0.38946 0.48696 0.19613 -0.05912 0.03823  -0.01316 375 ILE A C   
791  O O   . ILE A 56  ? 0.44070 0.54665 0.24089 -0.07126 0.03704  0.00152  375 ILE A O   
792  C CB  . ILE A 56  ? 0.41907 0.54771 0.25280 -0.03480 0.06904  -0.03362 375 ILE A CB  
793  C CG1 . ILE A 56  ? 0.45690 0.61320 0.34208 -0.02212 0.08367  -0.02980 375 ILE A CG1 
794  C CG2 . ILE A 56  ? 0.48815 0.62950 0.28243 -0.04208 0.08284  -0.03358 375 ILE A CG2 
795  C CD1 . ILE A 56  ? 0.49031 0.64608 0.37734 -0.00179 0.10986  -0.05386 375 ILE A CD1 
807  N N   . VAL A 57  ? 0.54346 0.61523 0.34008 -0.05463 0.02967  -0.02234 376 VAL A N   
808  C CA  . VAL A 57  ? 0.41098 0.46665 0.19299 -0.06271 0.01950  -0.01439 376 VAL A CA  
809  C C   . VAL A 57  ? 0.44706 0.49235 0.24152 -0.06932 0.01530  -0.00013 376 VAL A C   
810  O O   . VAL A 57  ? 0.42841 0.47287 0.22278 -0.07856 0.01142  0.01405  376 VAL A O   
811  C CB  . VAL A 57  ? 0.49483 0.52939 0.27836 -0.05704 0.01021  -0.02168 376 VAL A CB  
812  C CG1 . VAL A 57  ? 0.54778 0.56961 0.33980 -0.06339 0.00000  -0.00496 376 VAL A CG1 
813  C CG2 . VAL A 57  ? 0.45298 0.48517 0.21276 -0.05586 0.00933  -0.03851 376 VAL A CG2 
823  N N   . GLN A 58  ? 0.41569 0.44916 0.21861 -0.06580 0.01516  -0.00370 377 GLN A N   
824  C CA  . GLN A 58  ? 0.44605 0.45706 0.24840 -0.07168 0.01350  0.00153  377 GLN A CA  
825  C C   . GLN A 58  ? 0.43644 0.45618 0.24357 -0.08480 0.00954  0.01135  377 GLN A C   
826  O O   . GLN A 58  ? 0.50789 0.50704 0.31907 -0.09130 0.00704  0.01805  377 GLN A O   
827  C CB  . GLN A 58  ? 0.44117 0.43496 0.23385 -0.06913 0.01306  -0.00615 377 GLN A CB  
828  C CG  . GLN A 58  ? 0.54082 0.49824 0.31805 -0.07188 0.01757  -0.00941 377 GLN A CG  
829  C CD  . GLN A 58  ? 0.58435 0.52203 0.33293 -0.07293 0.01809  -0.01767 377 GLN A CD  
830  O OE1 . GLN A 58  ? 0.54379 0.49287 0.29349 -0.06649 0.01867  -0.01587 377 GLN A OE1 
831  N NE2 . GLN A 58  ? 0.64677 0.55188 0.36592 -0.08346 0.01557  -0.02600 377 GLN A NE2 
840  N N   . THR A 59  ? 0.42959 0.48002 0.24519 -0.08820 0.01002  0.01495  378 THR A N   
841  C CA  . THR A 59  ? 0.45301 0.51964 0.28307 -0.10256 0.00605  0.03137  378 THR A CA  
842  C C   . THR A 59  ? 0.52274 0.59945 0.35110 -0.10827 0.00900  0.04579  378 THR A C   
843  O O   . THR A 59  ? 0.46381 0.53508 0.30590 -0.12158 0.00118  0.06263  378 THR A O   
844  C CB  . THR A 59  ? 0.52131 0.62779 0.37363 -0.10231 0.01118  0.03780  378 THR A CB  
845  O OG1 . THR A 59  ? 0.51957 0.61876 0.37899 -0.09895 0.00282  0.03072  378 THR A OG1 
846  C CG2 . THR A 59  ? 0.49623 0.62322 0.37443 -0.11983 0.00496  0.06142  378 THR A CG2 
854  N N   . LEU A 60  ? 0.48220 0.57052 0.29270 -0.10110 0.01636  0.04120  379 LEU A N   
855  C CA  . LEU A 60  ? 0.48324 0.58023 0.28359 -0.11073 0.01320  0.05866  379 LEU A CA  
856  C C   . LEU A 60  ? 0.48485 0.55036 0.30155 -0.11355 0.00069  0.06897  379 LEU A C   
857  O O   . LEU A 60  ? 0.47030 0.53830 0.30181 -0.12584 -0.00737 0.09341  379 LEU A O   
858  C CB  . LEU A 60  ? 0.50250 0.61006 0.26829 -0.10609 0.01860  0.04756  379 LEU A CB  
859  C CG  . LEU A 60  ? 0.48265 0.61937 0.23097 -0.10018 0.03938  0.03568  379 LEU A CG  
860  C CD1 . LEU A 60  ? 0.51721 0.64208 0.22776 -0.09263 0.04217  0.01356  379 LEU A CD1 
861  C CD2 . LEU A 60  ? 0.49940 0.67142 0.24685 -0.11294 0.04938  0.05991  379 LEU A CD2 
873  N N   . VAL A 61  ? 0.47556 0.51310 0.29654 -0.10139 0.00118  0.05395  380 VAL A N   
874  C CA  . VAL A 61  ? 0.48428 0.49252 0.33055 -0.09881 -0.00214 0.06308  380 VAL A CA  
875  C C   . VAL A 61  ? 0.57210 0.55526 0.43444 -0.10411 -0.00204 0.06498  380 VAL A C   
876  O O   . VAL A 61  ? 0.54001 0.50438 0.43213 -0.10676 -0.00556 0.08079  380 VAL A O   
877  C CB  . VAL A 61  ? 0.52097 0.51029 0.36934 -0.08338 0.00515  0.04843  380 VAL A CB  
878  C CG1 . VAL A 61  ? 0.56696 0.52908 0.45058 -0.07629 0.01060  0.05890  380 VAL A CG1 
879  C CG2 . VAL A 61  ? 0.50943 0.51701 0.34655 -0.08192 -0.00142 0.04750  380 VAL A CG2 
889  N N   . HIS A 62  ? 0.56157 0.54113 0.40864 -0.10728 -0.00124 0.05051  381 HIS A N   
890  C CA  . HIS A 62  ? 0.62709 0.57603 0.48232 -0.11762 -0.00779 0.04984  381 HIS A CA  
891  C C   . HIS A 62  ? 0.56807 0.53348 0.45146 -0.13396 -0.01883 0.07842  381 HIS A C   
892  O O   . HIS A 62  ? 0.60605 0.53702 0.51212 -0.14096 -0.02587 0.08480  381 HIS A O   
893  C CB  . HIS A 62  ? 0.57789 0.52597 0.41217 -0.12400 -0.01356 0.03548  381 HIS A CB  
894  C CG  . HIS A 62  ? 0.66404 0.58124 0.50280 -0.14184 -0.02894 0.03639  381 HIS A CG  
895  N ND1 . HIS A 62  ? 0.70770 0.56249 0.52902 -0.14176 -0.02859 0.01669  381 HIS A ND1 
896  C CD2 . HIS A 62  ? 0.65942 0.59662 0.51936 -0.16146 -0.04538 0.05477  381 HIS A CD2 
897  C CE1 . HIS A 62  ? 0.76866 0.59945 0.59470 -0.16264 -0.04875 0.01947  381 HIS A CE1 
898  N NE2 . HIS A 62  ? 0.68958 0.57300 0.54450 -0.17592 -0.06117 0.04596  381 HIS A NE2 
906  N N   . LEU A 63  ? 0.53643 0.55219 0.41793 -0.14027 -0.01865 0.09612  382 LEU A N   
907  C CA  . LEU A 63  ? 0.52444 0.56357 0.42946 -0.15754 -0.02705 0.13008  382 LEU A CA  
908  C C   . LEU A 63  ? 0.53915 0.56052 0.46814 -0.15860 -0.03451 0.15024  382 LEU A C   
909  O O   . LEU A 63  ? 0.55950 0.56519 0.52532 -0.17050 -0.04609 0.17287  382 LEU A O   
910  C CB  . LEU A 63  ? 0.59134 0.68794 0.47680 -0.16153 -0.01727 0.14251  382 LEU A CB  
911  C CG  . LEU A 63  ? 0.69509 0.82374 0.58502 -0.16410 -0.00887 0.14055  382 LEU A CG  
912  C CD1 . LEU A 63  ? 0.78034 0.96165 0.64848 -0.16238 0.01133  0.14904  382 LEU A CD1 
913  C CD2 . LEU A 63  ? 0.78044 0.90665 0.71082 -0.18361 -0.02388 0.16405  382 LEU A CD2 
925  N N   . LYS A 64  ? 0.56069 0.58376 0.47824 -0.14730 -0.03102 0.14596  383 LYS A N   
926  C CA  . LYS A 64  ? 0.56095 0.57526 0.51296 -0.14942 -0.04173 0.17319  383 LYS A CA  
927  C C   . LYS A 64  ? 0.62095 0.58204 0.61617 -0.13679 -0.03703 0.16478  383 LYS A C   
928  O O   . LYS A 64  ? 0.60018 0.54692 0.64639 -0.14101 -0.04630 0.19266  383 LYS A O   
929  C CB  . LYS A 64  ? 0.55201 0.58445 0.48325 -0.14466 -0.04458 0.17404  383 LYS A CB  
930  C CG  . LYS A 64  ? 0.74185 0.78774 0.70019 -0.15794 -0.06549 0.21622  383 LYS A CG  
931  C CD  . LYS A 64  ? 0.71279 0.79753 0.64360 -0.18206 -0.07606 0.24523  383 LYS A CD  
932  C CE  . LYS A 64  ? 0.68950 0.78972 0.64674 -0.19634 -0.10233 0.28613  383 LYS A CE  
933  N NZ  . LYS A 64  ? 0.80993 0.92278 0.72904 -0.20002 -0.11468 0.28051  383 LYS A NZ  
947  N N   . PHE A 65  ? 0.63381 0.56393 0.60919 -0.12109 -0.02100 0.12766  384 PHE A N   
948  C CA  . PHE A 65  ? 0.75062 0.62491 0.75085 -0.10610 -0.00721 0.11106  384 PHE A CA  
949  C C   . PHE A 65  ? 0.75709 0.59650 0.71774 -0.10868 -0.00240 0.07685  384 PHE A C   
950  O O   . PHE A 65  ? 0.82289 0.65002 0.74467 -0.09792 0.01127  0.04810  384 PHE A O   
951  C CB  . PHE A 65  ? 0.69119 0.56168 0.70043 -0.08485 0.01005  0.10344  384 PHE A CB  
952  C CG  . PHE A 65  ? 0.65367 0.56371 0.69283 -0.08807 -0.00365 0.13767  384 PHE A CG  
953  C CD1 . PHE A 65  ? 0.59426 0.54363 0.59365 -0.09512 -0.01353 0.13701  384 PHE A CD1 
954  C CD2 . PHE A 65  ? 0.77052 0.67458 0.87884 -0.08540 -0.00909 0.17100  384 PHE A CD2 
955  C CE1 . PHE A 65  ? 0.63381 0.61180 0.64826 -0.10323 -0.03193 0.16585  384 PHE A CE1 
956  C CE2 . PHE A 65  ? 0.74420 0.68481 0.87802 -0.09400 -0.02987 0.20726  384 PHE A CE2 
957  C CZ  . PHE A 65  ? 0.57485 0.55038 0.65478 -0.10481 -0.04295 0.20304  384 PHE A CZ  
967  N N   . PRO A 66  ? 0.70000 0.52281 0.67035 -0.12627 -0.01753 0.08304  385 PRO A N   
968  C CA  . PRO A 66  ? 0.74342 0.53416 0.67383 -0.13585 -0.02276 0.05450  385 PRO A CA  
969  C C   . PRO A 66  ? 0.78809 0.50451 0.69551 -0.12375 -0.00671 0.01778  385 PRO A C   
970  O O   . PRO A 66  ? 0.82819 0.52027 0.68027 -0.12894 -0.00796 -0.01110 385 PRO A O   
971  C CB  . PRO A 66  ? 0.77967 0.57530 0.74054 -0.16104 -0.04744 0.07968  385 PRO A CB  
972  C CG  . PRO A 66  ? 0.71573 0.51285 0.73477 -0.15931 -0.04930 0.11217  385 PRO A CG  
973  C CD  . PRO A 66  ? 0.68545 0.52116 0.70497 -0.14237 -0.03546 0.12167  385 PRO A CD  
981  N N   . THR A 67  ? 0.84204 0.52111 0.78965 -0.10800 0.00942  0.01908  386 THR A N   
982  C CA  . THR A 67  ? 1.01163 0.61471 0.93542 -0.09277 0.03412  -0.01958 386 THR A CA  
983  C C   . THR A 67  ? 1.01145 0.62064 0.91103 -0.06731 0.06808  -0.03613 386 THR A C   
984  O O   . THR A 67  ? 1.03943 0.59103 0.89850 -0.05473 0.09496  -0.07208 386 THR A O   
985  C CB  . THR A 67  ? 0.90632 0.46095 0.89780 -0.08369 0.04161  -0.01080 386 THR A CB  
986  O OG1 . THR A 67  ? 0.95237 0.54790 1.01321 -0.06574 0.05334  0.02404  386 THR A OG1 
987  C CG2 . THR A 67  ? 0.99754 0.54787 1.02219 -0.11128 0.00542  0.01272  386 THR A CG2 
995  N N   . LYS A 68  ? 1.04539 0.72011 0.96535 -0.06097 0.06781  -0.01098 387 LYS A N   
996  C CA  . LYS A 68  ? 0.98403 0.67140 0.89649 -0.03917 0.09605  -0.01750 387 LYS A CA  
997  C C   . LYS A 68  ? 0.94808 0.66644 0.79949 -0.04590 0.08985  -0.02914 387 LYS A C   
998  O O   . LYS A 68  ? 0.91426 0.61821 0.72962 -0.03376 0.11363  -0.04791 387 LYS A O   
999  C CB  . LYS A 68  ? 0.97231 0.70508 0.95871 -0.02894 0.09565  0.02148  387 LYS A CB  
1000 C CG  . LYS A 68  ? 1.05606 0.76140 1.12111 -0.01686 0.10607  0.04019  387 LYS A CG  
1001 C CD  . LYS A 68  ? 1.02339 0.77959 1.16240 -0.01291 0.09592  0.08637  387 LYS A CD  
1002 C CE  . LYS A 68  ? 1.07097 0.80377 1.30459 -0.00033 0.10416  0.11287  387 LYS A CE  
1003 N NZ  . LYS A 68  ? 1.07387 0.85892 1.38340 -0.00193 0.08551  0.16548  387 LYS A NZ  
1017 N N   . VAL A 69  ? 0.86666 0.62995 0.71324 -0.06354 0.06112  -0.01436 388 VAL A N   
1018 C CA  . VAL A 69  ? 0.69979 0.49621 0.50568 -0.06782 0.05418  -0.02067 388 VAL A CA  
1019 C C   . VAL A 69  ? 0.79669 0.59009 0.56954 -0.08957 0.03098  -0.02850 388 VAL A C   
1020 O O   . VAL A 69  ? 0.77170 0.57197 0.56902 -0.10319 0.01422  -0.01454 388 VAL A O   
1021 C CB  . VAL A 69  ? 0.64961 0.50297 0.48348 -0.06589 0.04522  0.00227  388 VAL A CB  
1022 C CG1 . VAL A 69  ? 0.67353 0.55397 0.47718 -0.06658 0.04064  -0.00527 388 VAL A CG1 
1023 C CG2 . VAL A 69  ? 0.86063 0.71916 0.73925 -0.05054 0.05821  0.01856  388 VAL A CG2 
1033 N N   . SER A 70  ? 0.71892 0.50494 0.44322 -0.09406 0.02870  -0.04478 389 SER A N   
1034 C CA  . SER A 70  ? 0.81306 0.60231 0.51463 -0.11717 0.00120  -0.04571 389 SER A CA  
1035 C C   . SER A 70  ? 0.67608 0.53048 0.40677 -0.11951 -0.01077 -0.02471 389 SER A C   
1036 O O   . SER A 70  ? 0.62482 0.50992 0.37189 -0.10413 0.00148  -0.01861 389 SER A O   
1037 C CB  . SER A 70  ? 0.92508 0.67995 0.56228 -0.12443 -0.00100 -0.06670 389 SER A CB  
1038 O OG  . SER A 70  ? 1.19704 0.99259 0.82899 -0.12003 -0.00266 -0.05798 389 SER A OG  
1044 N N   . LYS A 71  ? 0.70100 0.57237 0.43970 -0.13859 -0.03369 -0.01449 390 LYS A N   
1045 C CA  . LYS A 71  ? 0.70773 0.64038 0.47942 -0.13783 -0.03832 0.00425  390 LYS A CA  
1046 C C   . LYS A 71  ? 0.72662 0.67108 0.48235 -0.13406 -0.04211 0.00012  390 LYS A C   
1047 O O   . LYS A 71  ? 0.67529 0.58272 0.38722 -0.13734 -0.04482 -0.01390 390 LYS A O   
1048 C CB  . LYS A 71  ? 0.78395 0.73657 0.58530 -0.15918 -0.05911 0.02374  390 LYS A CB  
1049 C CG  . LYS A 71  ? 0.92056 0.82891 0.69616 -0.18348 -0.08639 0.01732  390 LYS A CG  
1050 C CD  . LYS A 71  ? 0.88060 0.75274 0.66569 -0.19840 -0.09646 0.01934  390 LYS A CD  
1051 C CE  . LYS A 71  ? 1.09126 0.88233 0.81982 -0.20847 -0.10545 -0.01054 390 LYS A CE  
1052 N NZ  . LYS A 71  ? 0.88089 0.63797 0.57734 -0.18309 -0.07289 -0.03559 390 LYS A NZ  
1066 N N   . ALA A 72  ? 0.72705 0.72069 0.51781 -0.12743 -0.04066 0.01309  391 ALA A N   
1067 C CA  . ALA A 72  ? 0.59403 0.60327 0.38756 -0.12363 -0.04716 0.01585  391 ALA A CA  
1068 C C   . ALA A 72  ? 0.65901 0.66404 0.44931 -0.14770 -0.07738 0.02774  391 ALA A C   
1069 O O   . ALA A 72  ? 0.60948 0.61166 0.41091 -0.16540 -0.09164 0.03616  391 ALA A O   
1070 C CB  . ALA A 72  ? 0.54984 0.60571 0.38874 -0.10795 -0.03444 0.02384  391 ALA A CB  
1076 N N   . CYS A 73  ? 0.63508 0.64117 0.41440 -0.15105 -0.09079 0.03289  392 CYS A N   
1077 C CA  . CYS A 73  ? 0.59858 0.59566 0.36476 -0.18008 -0.12785 0.04699  392 CYS A CA  
1078 C C   . CYS A 73  ? 0.58904 0.63980 0.42413 -0.18145 -0.14450 0.07836  392 CYS A C   
1079 O O   . CYS A 73  ? 0.59475 0.66907 0.45837 -0.16025 -0.12934 0.08142  392 CYS A O   
1080 C CB  . CYS A 73  ? 0.71369 0.66075 0.39744 -0.19126 -0.13642 0.03174  392 CYS A CB  
1081 S SG  . CYS A 73  ? 1.17320 1.06377 0.80103 -0.22439 -0.16626 0.02338  392 CYS A SG  
1086 N N   . CYS A 74  ? 0.33275 0.54600 0.43491 -0.09683 -0.05162 0.07804  393 CYS A N   
1087 C CA  . CYS A 74  ? 0.30180 0.54159 0.37662 -0.08293 -0.03684 0.06850  393 CYS A CA  
1088 C C   . CYS A 74  ? 0.37105 0.56395 0.43472 -0.06275 -0.02616 0.04356  393 CYS A C   
1089 O O   . CYS A 74  ? 0.36057 0.52897 0.44032 -0.06177 -0.03692 0.04525  393 CYS A O   
1090 C CB  . CYS A 74  ? 0.29369 0.58393 0.39048 -0.09645 -0.04845 0.09953  393 CYS A CB  
1091 S SG  . CYS A 74  ? 0.33705 0.67053 0.41271 -0.08029 -0.03147 0.09434  393 CYS A SG  
1096 N N   . VAL A 75  ? 0.34796 0.52903 0.38512 -0.04534 -0.00861 0.02091  394 VAL A N   
1097 C CA  . VAL A 75  ? 0.33935 0.47841 0.36683 -0.02654 0.00288  0.00330  394 VAL A CA  
1098 C C   . VAL A 75  ? 0.42090 0.57180 0.42617 -0.01061 0.01514  -0.01208 394 VAL A C   
1099 O O   . VAL A 75  ? 0.34906 0.53311 0.34388 -0.00954 0.01651  -0.01732 394 VAL A O   
1100 C CB  . VAL A 75  ? 0.39783 0.49838 0.43457 -0.02229 0.00922  -0.00230 394 VAL A CB  
1101 C CG1 . VAL A 75  ? 0.37992 0.46489 0.44185 -0.03216 -0.00208 0.00898  394 VAL A CG1 
1102 C CG2 . VAL A 75  ? 0.42316 0.53092 0.45932 -0.02523 0.00932  -0.00817 394 VAL A CG2 
1112 N N   . PRO A 76  ? 0.37791 0.50328 0.37438 0.00492  0.02279  -0.02084 395 PRO A N   
1113 C CA  . PRO A 76  ? 0.41022 0.53785 0.39343 0.02109  0.03220  -0.03561 395 PRO A CA  
1114 C C   . PRO A 76  ? 0.46403 0.57663 0.45195 0.02564  0.03482  -0.04692 395 PRO A C   
1115 O O   . PRO A 76  ? 0.41506 0.49772 0.41748 0.02328  0.03658  -0.04159 395 PRO A O   
1116 C CB  . PRO A 76  ? 0.39123 0.48801 0.36685 0.03462  0.03736  -0.03637 395 PRO A CB  
1117 C CG  . PRO A 76  ? 0.37163 0.46466 0.35007 0.02750  0.02639  -0.02715 395 PRO A CG  
1118 C CD  . PRO A 76  ? 0.34325 0.44016 0.33949 0.01083  0.01967  -0.01843 395 PRO A CD  
1126 N N   . THR A 77  ? 0.44007 0.57478 0.41979 0.03446  0.03283  -0.06319 396 THR A N   
1127 C CA  . THR A 77  ? 0.43924 0.55445 0.42726 0.04254  0.02639  -0.08020 396 THR A CA  
1128 C C   . THR A 77  ? 0.49365 0.59158 0.48734 0.06158  0.02713  -0.09477 396 THR A C   
1129 O O   . THR A 77  ? 0.54687 0.61690 0.56090 0.06826  0.01680  -0.10549 396 THR A O   
1130 C CB  . THR A 77  ? 0.44210 0.59306 0.41469 0.04275  0.01629  -0.09426 396 THR A CB  
1131 O OG1 . THR A 77  ? 0.41927 0.62142 0.37136 0.05119  0.02284  -0.09779 396 THR A OG1 
1132 C CG2 . THR A 77  ? 0.40630 0.56653 0.38198 0.02150  0.01121  -0.07518 396 THR A CG2 
1140 N N   . LYS A 78  ? 0.49090 0.60227 0.47434 0.06877  0.03516  -0.09213 397 LYS A N   
1141 C CA  . LYS A 78  ? 0.47383 0.56641 0.46697 0.08584  0.03469  -0.10102 397 LYS A CA  
1142 C C   . LYS A 78  ? 0.44120 0.53354 0.42455 0.08649  0.04340  -0.08515 397 LYS A C   
1143 O O   . LYS A 78  ? 0.42649 0.54821 0.39719 0.07999  0.04489  -0.07928 397 LYS A O   
1144 C CB  . LYS A 78  ? 0.52774 0.64615 0.51736 0.10406  0.02739  -0.12959 397 LYS A CB  
1145 C CG  . LYS A 78  ? 0.68172 0.77592 0.69101 0.12133  0.02176  -0.13881 397 LYS A CG  
1146 C CD  . LYS A 78  ? 0.71565 0.83300 0.72519 0.14433  0.01236  -0.17249 397 LYS A CD  
1147 C CE  . LYS A 78  ? 0.63363 0.72524 0.67115 0.16198  0.00204  -0.18228 397 LYS A CE  
1148 N NZ  . LYS A 78  ? 0.82134 0.93691 0.85933 0.18705  -0.00916 -0.21882 397 LYS A NZ  
1162 N N   . LEU A 79  ? 0.51260 0.57410 0.50446 0.09402  0.04595  -0.07571 398 LEU A N   
1163 C CA  . LEU A 79  ? 0.43795 0.49464 0.41410 0.09844  0.05066  -0.06262 398 LEU A CA  
1164 C C   . LEU A 79  ? 0.45646 0.50689 0.44173 0.11358  0.04666  -0.06647 398 LEU A C   
1165 O O   . LEU A 79  ? 0.47847 0.51480 0.48931 0.12045  0.04067  -0.07299 398 LEU A O   
1166 C CB  . LEU A 79  ? 0.45998 0.49173 0.42993 0.09730  0.05934  -0.04246 398 LEU A CB  
1167 C CG  . LEU A 79  ? 0.44169 0.47533 0.40880 0.08440  0.06170  -0.03850 398 LEU A CG  
1168 C CD1 . LEU A 79  ? 0.46886 0.48319 0.43389 0.09039  0.07354  -0.02055 398 LEU A CD1 
1169 C CD2 . LEU A 79  ? 0.39193 0.44434 0.34321 0.07703  0.05360  -0.04253 398 LEU A CD2 
1181 N N   . SER A 80  ? 0.42117 0.47931 0.39094 0.11855  0.04515  -0.06214 399 SER A N   
1182 C CA  . SER A 80  ? 0.42660 0.47963 0.40484 0.13220  0.03947  -0.06240 399 SER A CA  
1183 C C   . SER A 80  ? 0.46385 0.49600 0.42079 0.13754  0.04078  -0.04163 399 SER A C   
1184 O O   . SER A 80  ? 0.43547 0.46447 0.36542 0.13374  0.04343  -0.03511 399 SER A O   
1185 C CB  . SER A 80  ? 0.36471 0.45267 0.34629 0.13611  0.03375  -0.07541 399 SER A CB  
1186 O OG  . SER A 80  ? 0.44427 0.56178 0.43779 0.13728  0.03528  -0.09481 399 SER A OG  
1192 N N   . PRO A 81  ? 0.44026 0.45904 0.40785 0.14870  0.03654  -0.03175 400 PRO A N   
1193 C CA  . PRO A 81  ? 0.52163 0.52707 0.46104 0.15741  0.03746  -0.01006 400 PRO A CA  
1194 C C   . PRO A 81  ? 0.45117 0.46442 0.36870 0.16229  0.02405  -0.01660 400 PRO A C   
1195 O O   . PRO A 81  ? 0.45952 0.49227 0.39405 0.15880  0.01559  -0.03222 400 PRO A O   
1196 C CB  . PRO A 81  ? 0.53334 0.52512 0.50356 0.16490  0.03491  0.00852  400 PRO A CB  
1197 C CG  . PRO A 81  ? 0.51012 0.50779 0.52214 0.16513  0.02286  -0.01646 400 PRO A CG  
1198 C CD  . PRO A 81  ? 0.45264 0.46536 0.46145 0.15529  0.02851  -0.03870 400 PRO A CD  
1206 N N   . ILE A 82  ? 0.50733 0.50847 0.38684 0.17239  0.02132  -0.00288 401 ILE A N   
1207 C CA  . ILE A 82  ? 0.48563 0.48570 0.34621 0.18033  0.00209  -0.00480 401 ILE A CA  
1208 C C   . ILE A 82  ? 0.51350 0.50081 0.35134 0.19606  0.00237  0.01924  401 ILE A C   
1209 O O   . ILE A 82  ? 0.56498 0.54940 0.40047 0.20009  0.01947  0.04018  401 ILE A O   
1210 C CB  . ILE A 82  ? 0.58550 0.58319 0.41390 0.17931  -0.01194 -0.01712 401 ILE A CB  
1211 C CG1 . ILE A 82  ? 0.56192 0.54397 0.34004 0.19291  -0.00474 -0.01177 401 ILE A CG1 
1212 C CG2 . ILE A 82  ? 0.52528 0.54135 0.38204 0.16119  -0.01206 -0.03086 401 ILE A CG2 
1213 C CD1 . ILE A 82  ? 0.58314 0.55264 0.32502 0.20089  -0.03013 -0.02805 401 ILE A CD1 
1225 N N   . SER A 83  ? 0.56687 0.55102 0.39421 0.20428  -0.01756 0.02090  402 SER A N   
1226 C CA  . SER A 83  ? 0.58022 0.55621 0.37734 0.22055  -0.02091 0.04638  402 SER A CA  
1227 C C   . SER A 83  ? 0.70864 0.67733 0.43552 0.23625  -0.02941 0.04105  402 SER A C   
1228 O O   . SER A 83  ? 0.63650 0.59928 0.35217 0.23382  -0.04992 0.01669  402 SER A O   
1229 C CB  . SER A 83  ? 0.59212 0.56679 0.41558 0.22304  -0.04232 0.05105  402 SER A CB  
1230 O OG  . SER A 83  ? 0.58240 0.56121 0.46992 0.21558  -0.03805 0.05322  402 SER A OG  
1236 N N   . VAL A 84  ? 0.70989 0.68146 0.39183 0.25457  -0.01624 0.06451  403 VAL A N   
1237 C CA  . VAL A 84  ? 0.74548 0.71172 0.35105 0.27831  -0.02642 0.05407  403 VAL A CA  
1238 C C   . VAL A 84  ? 0.85127 0.82522 0.41106 0.30139  -0.02843 0.08412  403 VAL A C   
1239 O O   . VAL A 84  ? 0.92638 0.91660 0.50993 0.30017  -0.00853 0.12371  403 VAL A O   
1240 C CB  . VAL A 84  ? 0.72802 0.70044 0.30579 0.28662  -0.00381 0.04618  403 VAL A CB  
1241 C CG1 . VAL A 84  ? 0.89495 0.85758 0.50748 0.26577  -0.01114 0.01477  403 VAL A CG1 
1242 C CG2 . VAL A 84  ? 0.93324 0.92770 0.53373 0.28563  0.03323  0.08367  403 VAL A CG2 
1252 N N   . LEU A 85  ? 0.86159 0.82437 0.36470 0.31969  -0.05520 0.06554  404 LEU A N   
1253 C CA  . LEU A 85  ? 0.94671 0.92101 0.41379 0.33538  -0.05513 0.08409  404 LEU A CA  
1254 C C   . LEU A 85  ? 1.04769 1.03670 0.47064 0.35589  -0.03568 0.07280  404 LEU A C   
1255 O O   . LEU A 85  ? 1.03199 1.00244 0.43025 0.36563  -0.05481 0.03266  404 LEU A O   
1256 C CB  . LEU A 85  ? 0.91040 0.86315 0.36390 0.33694  -0.09763 0.06586  404 LEU A CB  
1257 C CG  . LEU A 85  ? 0.98157 0.94491 0.39085 0.35377  -0.10264 0.08274  404 LEU A CG  
1258 C CD1 . LEU A 85  ? 0.99763 0.98649 0.43225 0.34848  -0.08139 0.13701  404 LEU A CD1 
1259 C CD2 . LEU A 85  ? 1.01193 0.94940 0.41280 0.35320  -0.14867 0.06158  404 LEU A CD2 
1271 N N   . TYR A 86  ? 1.09638 1.12024 0.51932 0.36346  -0.00049 0.11019  405 TYR A N   
1272 C CA  . TYR A 86  ? 1.21133 1.25935 0.60320 0.38631  0.02157  0.10508  405 TYR A CA  
1273 C C   . TYR A 86  ? 1.25411 1.33550 0.61036 0.40708  0.03117  0.13496  405 TYR A C   
1274 O O   . TYR A 86  ? 1.21651 1.31149 0.59059 0.39682  0.03381  0.17612  405 TYR A O   
1275 C CB  . TYR A 86  ? 1.12950 1.19935 0.56243 0.37773  0.05799  0.12488  405 TYR A CB  
1276 C CG  . TYR A 86  ? 1.11555 1.21960 0.58986 0.36795  0.08636  0.18444  405 TYR A CG  
1277 C CD1 . TYR A 86  ? 1.01563 1.10649 0.54403 0.34253  0.08332  0.20849  405 TYR A CD1 
1278 C CD2 . TYR A 86  ? 1.13034 1.28105 0.59785 0.38518  0.11311  0.21868  405 TYR A CD2 
1279 C CE1 . TYR A 86  ? 1.06887 1.18553 0.65120 0.33122  0.10191  0.26462  405 TYR A CE1 
1280 C CE2 . TYR A 86  ? 1.15674 1.34035 0.67692 0.37267  0.13478  0.27785  405 TYR A CE2 
1281 C CZ  . TYR A 86  ? 1.13873 1.30203 0.71978 0.34386  0.12708  0.30031  405 TYR A CZ  
1282 O OH  . TYR A 86  ? 1.28218 1.47257 0.93035 0.32890  0.14102  0.35907  405 TYR A OH  
1292 N N   . LYS A 87  ? 1.32005 1.41543 0.62805 0.43770  0.03410  0.11503  406 LYS A N   
1293 C CA  . LYS A 87  ? 1.43826 1.57421 0.70567 0.46316  0.04696  0.14256  406 LYS A CA  
1294 C C   . LYS A 87  ? 1.42922 1.61981 0.72854 0.46597  0.09229  0.19050  406 LYS A C   
1295 O O   . LYS A 87  ? 1.28960 1.48845 0.60877 0.46944  0.11074  0.18115  406 LYS A O   
1296 C CB  . LYS A 87  ? 1.59455 1.72330 0.79505 0.50053  0.02762  0.09857  406 LYS A CB  
1297 C CG  . LYS A 87  ? 1.51320 1.62842 0.71696 0.51217  0.02774  0.05888  406 LYS A CG  
1298 C CD  . LYS A 87  ? 1.59007 1.69464 0.73109 0.55262  0.00216  0.01501  406 LYS A CD  
1299 C CE  . LYS A 87  ? 1.51217 1.56467 0.63250 0.54868  -0.04833 -0.02089 406 LYS A CE  
1300 N NZ  . LYS A 87  ? 1.60791 1.64518 0.67063 0.59028  -0.07879 -0.06524 406 LYS A NZ  
1314 N N   . ASP A 88  ? 1.50365 1.73202 0.81495 0.46271  0.10738  0.24514  407 ASP A N   
1315 C CA  . ASP A 88  ? 1.50925 1.79435 0.86482 0.46280  0.14733  0.29945  407 ASP A CA  
1316 C C   . ASP A 88  ? 1.59497 1.93258 0.89771 0.50458  0.16570  0.30641  407 ASP A C   
1317 O O   . ASP A 88  ? 1.66265 1.98613 0.89377 0.53378  0.14607  0.26323  407 ASP A O   
1318 C CB  . ASP A 88  ? 1.47741 1.78246 0.88138 0.43923  0.15108  0.36190  407 ASP A CB  
1319 C CG  . ASP A 88  ? 1.65178 1.96113 1.00291 0.45109  0.13094  0.37132  407 ASP A CG  
1320 O OD1 . ASP A 88  ? 1.74422 2.04018 1.01948 0.47840  0.11361  0.32727  407 ASP A OD1 
1321 O OD2 . ASP A 88  ? 1.66478 1.98851 1.05426 0.43270  0.12893  0.42311  407 ASP A OD2 
1326 N N   . ASP A 89  ? 1.65046 2.05064 0.99178 0.50949  0.20130  0.36160  408 ASP A N   
1327 C CA  . ASP A 89  ? 1.72165 2.18200 1.01864 0.55286  0.22361  0.37226  408 ASP A CA  
1328 C C   . ASP A 89  ? 1.83347 2.31364 1.05916 0.57837  0.21194  0.37787  408 ASP A C   
1329 O O   . ASP A 89  ? 1.96521 2.49237 1.13708 0.62146  0.22571  0.37700  408 ASP A O   
1330 C CB  . ASP A 89  ? 1.69435 2.22342 1.06165 0.54932  0.26289  0.43971  408 ASP A CB  
1331 C CG  . ASP A 89  ? 1.62564 2.13957 1.05647 0.53065  0.27461  0.43257  408 ASP A CG  
1332 O OD1 . ASP A 89  ? 1.55604 2.02545 0.95659 0.53711  0.26088  0.37336  408 ASP A OD1 
1333 O OD2 . ASP A 89  ? 1.59108 2.13698 1.10628 0.50857  0.29455  0.48748  408 ASP A OD2 
1338 N N   . MET A 90  ? 2.11641 2.56290 1.33920 0.55466  0.18566  0.38390  409 MET A N   
1339 C CA  . MET A 90  ? 2.23086 2.68905 1.38615 0.57459  0.16915  0.38946  409 MET A CA  
1340 C C   . MET A 90  ? 2.25969 2.65013 1.35157 0.58141  0.12424  0.32123  409 MET A C   
1341 O O   . MET A 90  ? 2.30882 2.69531 1.34690 0.59244  0.10155  0.32091  409 MET A O   
1342 C CB  . MET A 90  ? 2.22081 2.69434 1.42363 0.54333  0.16783  0.45492  409 MET A CB  
1343 C CG  . MET A 90  ? 2.26288 2.81304 1.53076 0.54025  0.20741  0.53109  409 MET A CG  
1344 S SD  . MET A 90  ? 2.38579 2.95006 1.71723 0.50391  0.19747  0.60876  409 MET A SD  
1345 C CE  . MET A 90  ? 2.12089 2.61374 1.54586 0.45208  0.17761  0.59775  409 MET A CE  
1355 N N   . GLY A 91  ? 2.44005 2.77815 1.54174 0.57423  0.10850  0.26616  410 GLY A N   
1356 C CA  . GLY A 91  ? 2.44997 2.72420 1.50900 0.57721  0.06257  0.20516  410 GLY A CA  
1357 C C   . GLY A 91  ? 2.38283 2.61295 1.46877 0.53995  0.03179  0.21198  410 GLY A C   
1358 O O   . GLY A 91  ? 2.40535 2.59191 1.45497 0.54359  -0.00936 0.17337  410 GLY A O   
1362 N N   . VAL A 92  ? 1.74658 1.98648 0.90065 0.50551  0.04741  0.26055  411 VAL A N   
1363 C CA  . VAL A 92  ? 1.72799 1.93056 0.91674 0.47203  0.01833  0.27319  411 VAL A CA  
1364 C C   . VAL A 92  ? 1.54084 1.70010 0.78341 0.44572  0.01011  0.24487  411 VAL A C   
1365 O O   . VAL A 92  ? 1.41445 1.58906 0.70379 0.43585  0.03973  0.25855  411 VAL A O   
1366 C CB  . VAL A 92  ? 1.61801 1.85609 0.85468 0.45284  0.03433  0.34681  411 VAL A CB  
1367 C CG1 . VAL A 92  ? 1.62489 1.82020 0.91207 0.41925  0.00226  0.35772  411 VAL A CG1 
1368 C CG2 . VAL A 92  ? 1.78354 2.06587 0.96392 0.47804  0.03887  0.37744  411 VAL A CG2 
1378 N N   . PRO A 93  ? 1.51332 1.62211 0.75379 0.43460  -0.02970 0.20744  412 PRO A N   
1379 C CA  . PRO A 93  ? 1.49968 1.57389 0.79318 0.41038  -0.03727 0.18504  412 PRO A CA  
1380 C C   . PRO A 93  ? 1.37298 1.45675 0.73962 0.38326  -0.02190 0.23301  412 PRO A C   
1381 O O   . PRO A 93  ? 1.26320 1.34733 0.65342 0.37193  -0.03613 0.26787  412 PRO A O   
1382 C CB  . PRO A 93  ? 1.54580 1.57504 0.82786 0.40534  -0.08602 0.14792  412 PRO A CB  
1383 C CG  . PRO A 93  ? 1.56341 1.59613 0.77372 0.43373  -0.10292 0.13135  412 PRO A CG  
1384 C CD  . PRO A 93  ? 1.67195 1.75562 0.86225 0.44602  -0.07097 0.18204  412 PRO A CD  
1392 N N   . THR A 94  ? 1.17677 1.26579 0.58440 0.37347  0.00394  0.23472  413 THR A N   
1393 C CA  . THR A 94  ? 1.15792 1.25187 0.64276 0.34968  0.01683  0.27597  413 THR A CA  
1394 C C   . THR A 94  ? 1.02959 1.08980 0.55037 0.33508  0.00766  0.24434  413 THR A C   
1395 O O   . THR A 94  ? 1.07927 1.12834 0.57348 0.34121  0.01010  0.20272  413 THR A O   
1396 C CB  . THR A 94  ? 1.12833 1.26697 0.64033 0.35092  0.05776  0.31727  413 THR A CB  
1397 O OG1 . THR A 94  ? 1.39795 1.57622 0.86662 0.37121  0.06864  0.34140  413 THR A OG1 
1398 C CG2 . THR A 94  ? 1.15210 1.29307 0.75501 0.32493  0.06214  0.36592  413 THR A CG2 
1406 N N   . LEU A 95  ? 0.89807 0.94246 0.48406 0.31746  -0.00536 0.26344  414 LEU A N   
1407 C CA  . LEU A 95  ? 0.85101 0.86872 0.47636 0.30744  -0.01452 0.23605  414 LEU A CA  
1408 C C   . LEU A 95  ? 0.81520 0.84256 0.49818 0.29271  0.01471  0.25167  414 LEU A C   
1409 O O   . LEU A 95  ? 0.85886 0.90068 0.59292 0.28634  0.02521  0.30033  414 LEU A O   
1410 C CB  . LEU A 95  ? 0.84708 0.84439 0.53462 0.29270  -0.04408 0.23214  414 LEU A CB  
1411 C CG  . LEU A 95  ? 0.81179 0.79186 0.56018 0.27123  -0.04873 0.18853  414 LEU A CG  
1412 C CD1 . LEU A 95  ? 0.77674 0.74640 0.48207 0.27403  -0.06342 0.14205  414 LEU A CD1 
1413 C CD2 . LEU A 95  ? 0.75485 0.72461 0.58228 0.25924  -0.06869 0.19013  414 LEU A CD2 
1425 N N   . LYS A 96  ? 0.79475 0.81330 0.47697 0.28509  0.02377  0.21199  415 LYS A N   
1426 C CA  . LYS A 96  ? 0.89170 0.91139 0.63790 0.26598  0.04299  0.21473  415 LYS A CA  
1427 C C   . LYS A 96  ? 0.70799 0.70417 0.50888 0.24534  0.02374  0.17514  415 LYS A C   
1428 O O   . LYS A 96  ? 0.76537 0.75344 0.54720 0.24136  0.01762  0.13377  415 LYS A O   
1429 C CB  . LYS A 96  ? 0.74826 0.77977 0.45635 0.27355  0.06738  0.20210  415 LYS A CB  
1430 C CG  . LYS A 96  ? 0.84463 0.87499 0.61755 0.25292  0.08313  0.20209  415 LYS A CG  
1431 C CD  . LYS A 96  ? 0.84288 0.88816 0.67927 0.24602  0.09450  0.25753  415 LYS A CD  
1432 C CE  . LYS A 96  ? 0.81949 0.86284 0.71678 0.22821  0.10687  0.25843  415 LYS A CE  
1433 N NZ  . LYS A 96  ? 0.85155 0.88410 0.84168 0.21082  0.09312  0.28612  415 LYS A NZ  
1447 N N   . TYR A 97  ? 0.73348 0.72211 0.60544 0.23422  0.01288  0.18947  416 TYR A N   
1448 C CA  . TYR A 97  ? 0.69625 0.67036 0.61332 0.22346  -0.00659 0.15187  416 TYR A CA  
1449 C C   . TYR A 97  ? 0.62565 0.59898 0.55908 0.21115  0.00353  0.11660  416 TYR A C   
1450 O O   . TYR A 97  ? 0.63131 0.60630 0.55857 0.20734  -0.00437 0.08037  416 TYR A O   
1451 C CB  . TYR A 97  ? 0.69625 0.66083 0.68825 0.21954  -0.02282 0.17147  416 TYR A CB  
1452 C CG  . TYR A 97  ? 0.73700 0.69325 0.77117 0.21710  -0.04305 0.13215  416 TYR A CG  
1453 C CD1 . TYR A 97  ? 0.64322 0.60374 0.65058 0.22289  -0.05669 0.11230  416 TYR A CD1 
1454 C CD2 . TYR A 97  ? 0.63197 0.57889 0.73489 0.21189  -0.05025 0.11468  416 TYR A CD2 
1455 C CE1 . TYR A 97  ? 0.62630 0.59006 0.67667 0.22341  -0.07097 0.08070  416 TYR A CE1 
1456 C CE2 . TYR A 97  ? 0.71438 0.66234 0.85132 0.21644  -0.06559 0.07654  416 TYR A CE2 
1457 C CZ  . TYR A 97  ? 0.59443 0.55483 0.70626 0.22216  -0.07296 0.06211  416 TYR A CZ  
1458 O OH  . TYR A 97  ? 0.56086 0.53271 0.71097 0.22919  -0.08412 0.02840  416 TYR A OH  
1468 N N   . HIS A 98  ? 0.64872 0.62321 0.60702 0.20426  0.01982  0.13101  417 HIS A N   
1469 C CA  . HIS A 98  ? 0.60198 0.57569 0.57514 0.19251  0.02785  0.10155  417 HIS A CA  
1470 C C   . HIS A 98  ? 0.63015 0.61328 0.56663 0.19361  0.05112  0.11475  417 HIS A C   
1471 O O   . HIS A 98  ? 0.65448 0.64092 0.62182 0.18987  0.06369  0.14296  417 HIS A O   
1472 C CB  . HIS A 98  ? 0.60203 0.56407 0.64962 0.18379  0.01872  0.09957  417 HIS A CB  
1473 C CG  . HIS A 98  ? 0.63749 0.59247 0.72217 0.18732  -0.00406 0.07353  417 HIS A CG  
1474 N ND1 . HIS A 98  ? 0.62955 0.59647 0.69051 0.19095  -0.00914 0.04056  417 HIS A ND1 
1475 C CD2 . HIS A 98  ? 0.67432 0.61376 0.82437 0.18979  -0.02460 0.07591  417 HIS A CD2 
1476 C CE1 . HIS A 98  ? 0.65102 0.61508 0.75690 0.19776  -0.02722 0.02308  417 HIS A CE1 
1477 N NE2 . HIS A 98  ? 0.65799 0.60203 0.81684 0.19822  -0.03869 0.04058  417 HIS A NE2 
1485 N N   . TYR A 99  ? 0.62784 0.61544 0.50570 0.19959  0.05380  0.09442  418 TYR A N   
1486 C CA  . TYR A 99  ? 0.65183 0.64737 0.49568 0.20389  0.07320  0.09654  418 TYR A CA  
1487 C C   . TYR A 99  ? 0.60635 0.59820 0.48203 0.18553  0.07395  0.07069  418 TYR A C   
1488 O O   . TYR A 99  ? 0.57243 0.56312 0.43526 0.17958  0.06256  0.04034  418 TYR A O   
1489 C CB  . TYR A 99  ? 0.67794 0.67379 0.45115 0.22085  0.06728  0.08105  418 TYR A CB  
1490 C CG  . TYR A 99  ? 0.74500 0.75186 0.47744 0.23661  0.08719  0.08796  418 TYR A CG  
1491 C CD1 . TYR A 99  ? 0.80042 0.82823 0.53930 0.24651  0.11279  0.12879  418 TYR A CD1 
1492 C CD2 . TYR A 99  ? 0.80356 0.80302 0.49810 0.24295  0.07910  0.05569  418 TYR A CD2 
1493 C CE1 . TYR A 99  ? 0.96417 1.01073 0.66735 0.26560  0.13484  0.13548  418 TYR A CE1 
1494 C CE2 . TYR A 99  ? 0.94995 0.95982 0.60878 0.26236  0.09609  0.05672  418 TYR A CE2 
1495 C CZ  . TYR A 99  ? 0.94101 0.97723 0.60131 0.27543  0.12656  0.09572  418 TYR A CZ  
1496 O OH  . TYR A 99  ? 0.97547 1.02702 0.62487 0.28959  0.13794  0.09460  418 TYR A OH  
1506 N N   . GLU A 100 ? 0.61909 0.61192 0.53615 0.17702  0.08559  0.08676  419 GLU A N   
1507 C CA  . GLU A 100 ? 0.58782 0.57595 0.53880 0.16006  0.08106  0.06288  419 GLU A CA  
1508 C C   . GLU A 100 ? 0.62322 0.61636 0.54655 0.15554  0.08862  0.04611  419 GLU A C   
1509 O O   . GLU A 100 ? 0.54710 0.54543 0.43675 0.16677  0.10128  0.05619  419 GLU A O   
1510 C CB  . GLU A 100 ? 0.61426 0.59626 0.62594 0.15203  0.08283  0.08478  419 GLU A CB  
1511 C CG  . GLU A 100 ? 0.63531 0.60670 0.69219 0.15405  0.06689  0.09896  419 GLU A CG  
1512 C CD  . GLU A 100 ? 0.85319 0.81632 0.92501 0.15239  0.04544  0.05924  419 GLU A CD  
1513 O OE1 . GLU A 100 ? 0.82193 0.79059 0.88230 0.14613  0.04416  0.02649  419 GLU A OE1 
1514 O OE2 . GLU A 100 ? 0.85300 0.80849 0.94932 0.15906  0.03026  0.06263  419 GLU A OE2 
1521 N N   . GLY A 101 ? 0.56187 0.55608 0.50040 0.14124  0.07949  0.02019  420 GLY A N   
1522 C CA  . GLY A 101 ? 0.55617 0.55449 0.48489 0.13233  0.08293  0.00897  420 GLY A CA  
1523 C C   . GLY A 101 ? 0.46993 0.47164 0.36141 0.13472  0.07382  -0.00670 420 GLY A C   
1524 O O   . GLY A 101 ? 0.52460 0.52580 0.40763 0.13112  0.07470  -0.01171 420 GLY A O   
1528 N N   . MET A 102 ? 0.49316 0.49673 0.36987 0.14018  0.06075  -0.01407 421 MET A N   
1529 C CA  . MET A 102 ? 0.50111 0.50212 0.34720 0.14506  0.04507  -0.02501 421 MET A CA  
1530 C C   . MET A 102 ? 0.48558 0.50197 0.35126 0.12803  0.02839  -0.03807 421 MET A C   
1531 O O   . MET A 102 ? 0.48690 0.49891 0.34306 0.12603  0.01168  -0.04456 421 MET A O   
1532 C CB  . MET A 102 ? 0.56994 0.56407 0.39020 0.16182  0.03626  -0.02050 421 MET A CB  
1533 C CG  . MET A 102 ? 0.55800 0.54473 0.34461 0.18298  0.05091  -0.00312 421 MET A CG  
1534 S SD  . MET A 102 ? 0.58397 0.56361 0.32664 0.19952  0.05225  -0.01424 421 MET A SD  
1535 C CE  . MET A 102 ? 0.65058 0.61452 0.35330 0.21262  0.01586  -0.03684 421 MET A CE  
1545 N N   . SER A 103 ? 0.44253 0.47944 0.33730 0.11843  0.03041  -0.04076 422 SER A N   
1546 C CA  . SER A 103 ? 0.45817 0.52482 0.37332 0.10475  0.01856  -0.04538 422 SER A CA  
1547 C C   . SER A 103 ? 0.42225 0.51324 0.35847 0.09334  0.02865  -0.04889 422 SER A C   
1548 O O   . SER A 103 ? 0.45522 0.54000 0.39763 0.09909  0.03890  -0.05409 422 SER A O   
1549 C CB  . SER A 103 ? 0.49483 0.57719 0.41978 0.11066  0.00887  -0.04611 422 SER A CB  
1550 O OG  . SER A 103 ? 0.82050 0.93791 0.76953 0.09806  -0.00270 -0.04192 422 SER A OG  
1556 N N   . VAL A 104 ? 0.41773 0.53636 0.36694 0.07829  0.02174  -0.04458 423 VAL A N   
1557 C CA  . VAL A 104 ? 0.46185 0.60827 0.42259 0.06874  0.02977  -0.04667 423 VAL A CA  
1558 C C   . VAL A 104 ? 0.36578 0.55218 0.33590 0.07743  0.03534  -0.05570 423 VAL A C   
1559 O O   . VAL A 104 ? 0.38406 0.60191 0.36605 0.07852  0.03061  -0.04883 423 VAL A O   
1560 C CB  . VAL A 104 ? 0.39991 0.56733 0.37312 0.04923  0.01993  -0.03239 423 VAL A CB  
1561 C CG1 . VAL A 104 ? 0.41194 0.61266 0.39032 0.04082  0.02716  -0.03205 423 VAL A CG1 
1562 C CG2 . VAL A 104 ? 0.42356 0.55105 0.39075 0.04515  0.01141  -0.02925 423 VAL A CG2 
1572 N N   . ALA A 105 ? 0.37592 0.55989 0.34428 0.08584  0.04253  -0.07179 424 ALA A N   
1573 C CA  . ALA A 105 ? 0.39495 0.61950 0.36800 0.09958  0.04625  -0.08797 424 ALA A CA  
1574 C C   . ALA A 105 ? 0.36415 0.63351 0.33118 0.09316  0.04937  -0.08824 424 ALA A C   
1575 O O   . ALA A 105 ? 0.43017 0.75966 0.39887 0.10037  0.05497  -0.08745 424 ALA A O   
1576 C CB  . ALA A 105 ? 0.37691 0.56858 0.35457 0.11735  0.04416  -0.11055 424 ALA A CB  
1582 N N   . GLU A 106 ? 0.41832 0.66509 0.37920 0.08090  0.04646  -0.08640 425 GLU A N   
1583 C CA  . GLU A 106 ? 0.38468 0.67380 0.33695 0.07312  0.04663  -0.08258 425 GLU A CA  
1584 C C   . GLU A 106 ? 0.39325 0.65943 0.35046 0.04931  0.04051  -0.06279 425 GLU A C   
1585 O O   . GLU A 106 ? 0.41366 0.62625 0.37647 0.04544  0.03816  -0.06302 425 GLU A O   
1586 C CB  . GLU A 106 ? 0.46592 0.75650 0.40397 0.09135  0.04339  -0.11418 425 GLU A CB  
1587 C CG  . GLU A 106 ? 0.54036 0.82807 0.48063 0.11915  0.04306  -0.14308 425 GLU A CG  
1588 C CD  . GLU A 106 ? 0.64670 0.94289 0.57499 0.13705  0.03178  -0.17162 425 GLU A CD  
1589 O OE1 . GLU A 106 ? 0.73964 1.00823 0.66258 0.13655  0.02018  -0.18766 425 GLU A OE1 
1590 O OE2 . GLU A 106 ? 0.73543 1.06645 0.66089 0.15309  0.03236  -0.17894 425 GLU A OE2 
1597 N N   . CYS A 107 ? 0.42115 0.73377 0.37875 0.03527  0.03840  -0.04377 426 CYS A N   
1598 C CA  . CYS A 107 ? 0.36824 0.66913 0.33614 0.01231  0.02919  -0.02342 426 CYS A CA  
1599 C C   . CYS A 107 ? 0.36753 0.69059 0.31981 0.01097  0.02605  -0.02920 426 CYS A C   
1600 O O   . CYS A 107 ? 0.35390 0.72169 0.28406 0.02708  0.03091  -0.04308 426 CYS A O   
1601 C CB  . CYS A 107 ? 0.40447 0.74203 0.39619 -0.00679 0.02172  0.01172  426 CYS A CB  
1602 S SG  . CYS A 107 ? 0.36772 0.68066 0.37984 -0.00605 0.01472  0.01885  426 CYS A SG  
1607 N N   . GLY A 108 ? 0.34781 0.64190 0.31077 -0.00599 0.01625  -0.01940 427 GLY A N   
1608 C CA  . GLY A 108 ? 0.45847 0.77038 0.40816 -0.01005 0.00803  -0.02167 427 GLY A CA  
1609 C C   . GLY A 108 ? 0.42610 0.70783 0.40018 -0.03304 -0.00403 -0.00209 427 GLY A C   
1610 O O   . GLY A 108 ? 0.38172 0.62184 0.37974 -0.03991 -0.00442 0.00485  427 GLY A O   
1614 N N   . CYS A 109 ? 0.36480 0.66969 0.33058 -0.04173 -0.01492 0.00494  428 CYS A N   
1615 C CA  . CYS A 109 ? 0.35778 0.63927 0.35028 -0.06367 -0.02930 0.02450  428 CYS A CA  
1616 C C   . CYS A 109 ? 0.37394 0.59962 0.37382 -0.05782 -0.03513 0.00185  428 CYS A C   
1617 O O   . CYS A 109 ? 0.42254 0.64832 0.40002 -0.04356 -0.04079 -0.02300 428 CYS A O   
1618 C CB  . CYS A 109 ? 0.39077 0.73044 0.37387 -0.07787 -0.04078 0.05032  428 CYS A CB  
1619 S SG  . CYS A 109 ? 0.43630 0.84417 0.43795 -0.09276 -0.03784 0.09531  428 CYS A SG  
1624 N N   . ARG A 110 ? 0.37012 0.54980 0.40510 -0.06601 -0.03511 0.00994  429 ARG A N   
1625 C CA  . ARG A 110 ? 0.38780 0.51953 0.44422 -0.06162 -0.03780 -0.00182 429 ARG A CA  
1626 C C   . ARG A 110 ? 0.38666 0.49869 0.48191 -0.07897 -0.04754 0.01842  429 ARG A C   
1627 O O   . ARG A 110 ? 0.36032 0.44856 0.47917 -0.08248 -0.05774 0.01734  429 ARG A O   
1628 C CB  . ARG A 110 ? 0.43561 0.53494 0.49929 -0.04539 -0.02035 -0.01214 429 ARG A CB  
1629 C CG  . ARG A 110 ? 0.43221 0.54099 0.46852 -0.02678 -0.01495 -0.03471 429 ARG A CG  
1630 C CD  . ARG A 110 ? 0.43029 0.53187 0.46291 -0.01938 -0.03212 -0.05619 429 ARG A CD  
1631 N NE  . ARG A 110 ? 0.48830 0.59882 0.49760 0.00215  -0.03104 -0.08277 429 ARG A NE  
1632 C CZ  . ARG A 110 ? 0.54274 0.69942 0.51346 0.01277  -0.03252 -0.09751 429 ARG A CZ  
1633 N NH1 . ARG A 110 ? 0.52738 0.72987 0.47743 0.00181  -0.03453 -0.08288 429 ARG A NH1 
1634 N NH2 . ARG A 110 ? 0.52377 0.68529 0.47951 0.03633  -0.03177 -0.12488 429 ARG A NH2 
1635 O OXT . ARG A 110 ? 0.37096 0.48968 0.48101 -0.08936 -0.04861 0.03641  429 ARG A OXT 
1694 O O   . HOH N .   ? 0.34806 0.56795 0.27932 -0.08694 0.10142  0.04252  608 HOH A O   
1701 O O   . HOH N .   ? 0.40022 0.45395 0.30716 -0.06217 0.13071  0.10040  615 HOH A O   
1711 O O   . HOH N .   ? 0.45913 0.51724 0.95991 -0.18038 -0.11933 -0.04191 625 HOH A O   
1766 O O   . HOH N .   ? 0.48992 0.76993 0.71690 0.06571  0.12672  0.04570  680 HOH A O   
# 
