data_9DPR
# 
_entry.id   9DPR 
# 
_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   9DPR         pdb_00009dpr 10.2210/pdb9dpr/pdb 
WWPDB D_1000287370 ?            ?                   
# 
_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                        9DPR 
_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' 12118.971 1  ? A321S ? ? 
2 non-polymer syn GLYCEROL                          92.094    1  ? ?     ? ? 
3 non-polymer syn 'CHLORIDE ION'                    35.453    10 ? ?     ? ? 
4 non-polymer syn 'SODIUM ION'                      22.990    3  ? ?     ? ? 
5 water       nat water                             18.015    60 ? ?     ? ? 
# 
_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       
;SSGAGSHCQKTSLRVNFEDIGWDSWIIAPKEYEAYECKGGCFFPLADDVTPTKHAIVQTLVHLKFPTKVGKACCVPTKLS
PISVLYKDDMGVPTLKYHYEGMSVAECGCR
;
_entity_poly.pdbx_seq_one_letter_code_can   
;SSGAGSHCQKTSLRVNFEDIGWDSWIIAPKEYEAYECKGGCFFPLADDVTPTKHAIVQTLVHLKFPTKVGKACCVPTKLS
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 GLYCEROL       GOL 
3 'CHLORIDE ION' CL  
4 'SODIUM ION'   NA  
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  GLY 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   324 324 GLY GLY 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  GLY 70  389 389 GLY GLY 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 GOL 1  501 1  GOL GOL A . 
C 3 CL  1  502 1  CL  CL  A . 
D 3 CL  1  503 2  CL  CL  A . 
E 3 CL  1  504 3  CL  CL  A . 
F 3 CL  1  505 4  CL  CL  A . 
G 3 CL  1  506 5  CL  CL  A . 
H 3 CL  1  507 6  CL  CL  A . 
I 3 CL  1  508 7  CL  CL  A . 
J 3 CL  1  509 8  CL  CL  A . 
K 3 CL  1  510 9  CL  CL  A . 
L 3 CL  1  511 10 CL  CL  A . 
M 4 NA  1  512 1  NA  NA  A . 
N 4 NA  1  513 4  NA  NA  A . 
O 4 NA  1  514 5  NA  NA  A . 
P 5 HOH 1  601 1  HOH HOH A . 
P 5 HOH 2  602 39 HOH HOH A . 
P 5 HOH 3  603 77 HOH HOH A . 
P 5 HOH 4  604 24 HOH HOH A . 
P 5 HOH 5  605 3  HOH HOH A . 
P 5 HOH 6  606 33 HOH HOH A . 
P 5 HOH 7  607 72 HOH HOH A . 
P 5 HOH 8  608 11 HOH HOH A . 
P 5 HOH 9  609 15 HOH HOH A . 
P 5 HOH 10 610 16 HOH HOH A . 
P 5 HOH 11 611 71 HOH HOH A . 
P 5 HOH 12 612 28 HOH HOH A . 
P 5 HOH 13 613 75 HOH HOH A . 
P 5 HOH 14 614 82 HOH HOH A . 
P 5 HOH 15 615 9  HOH HOH A . 
P 5 HOH 16 616 80 HOH HOH A . 
P 5 HOH 17 617 37 HOH HOH A . 
P 5 HOH 18 618 31 HOH HOH A . 
P 5 HOH 19 619 43 HOH HOH A . 
P 5 HOH 20 620 54 HOH HOH A . 
P 5 HOH 21 621 57 HOH HOH A . 
P 5 HOH 22 622 48 HOH HOH A . 
P 5 HOH 23 623 5  HOH HOH A . 
P 5 HOH 24 624 40 HOH HOH A . 
P 5 HOH 25 625 2  HOH HOH A . 
P 5 HOH 26 626 26 HOH HOH A . 
P 5 HOH 27 627 78 HOH HOH A . 
P 5 HOH 28 628 6  HOH HOH A . 
P 5 HOH 29 629 68 HOH HOH A . 
P 5 HOH 30 630 27 HOH HOH A . 
P 5 HOH 31 631 74 HOH HOH A . 
P 5 HOH 32 632 29 HOH HOH A . 
P 5 HOH 33 633 76 HOH HOH A . 
P 5 HOH 34 634 4  HOH HOH A . 
P 5 HOH 35 635 73 HOH HOH A . 
P 5 HOH 36 636 81 HOH HOH A . 
P 5 HOH 37 637 41 HOH HOH A . 
P 5 HOH 38 638 50 HOH HOH A . 
P 5 HOH 39 639 60 HOH HOH A . 
P 5 HOH 40 640 65 HOH HOH A . 
P 5 HOH 41 641 7  HOH HOH A . 
P 5 HOH 42 642 67 HOH HOH A . 
P 5 HOH 43 643 35 HOH HOH A . 
P 5 HOH 44 644 79 HOH HOH A . 
P 5 HOH 45 645 66 HOH HOH A . 
P 5 HOH 46 646 58 HOH HOH A . 
P 5 HOH 47 647 12 HOH HOH A . 
P 5 HOH 48 648 23 HOH HOH A . 
P 5 HOH 49 649 53 HOH HOH A . 
P 5 HOH 50 650 19 HOH HOH A . 
P 5 HOH 51 651 22 HOH HOH A . 
P 5 HOH 52 652 63 HOH HOH A . 
P 5 HOH 53 653 18 HOH HOH A . 
P 5 HOH 54 654 21 HOH HOH A . 
P 5 HOH 55 655 45 HOH HOH A . 
P 5 HOH 56 656 70 HOH HOH A . 
P 5 HOH 57 657 69 HOH HOH A . 
P 5 HOH 58 658 51 HOH HOH A . 
P 5 HOH 59 659 59 HOH HOH A . 
P 5 HOH 60 660 34 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                     9DPR 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     71.044 
_cell.length_a_esd                 ? 
_cell.length_b                     71.044 
_cell.length_b_esd                 ? 
_cell.length_c                     145.564 
_cell.length_c_esd                 ? 
_cell.volume                       734697.890 
_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                         9DPR 
_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                   9DPR 
_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             3.79 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          67.54 
_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              3.5 
_exptl_crystal_grow.pressure        ? 
_exptl_crystal_grow.pressure_esd    ? 
_exptl_crystal_grow.seeding         ? 
_exptl_crystal_grow.seeding_ref     ? 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.temp_esd        ? 
_exptl_crystal_grow.time            ? 
_exptl_crystal_grow.pdbx_details    '1M NaCl, 3.5% PEG8K, 0.3M Sodium Citrate pH 3.5' 
_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         2022-04-24 
_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                          50.38 
_reflns.entry_id                                       9DPR 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              2.61 
_reflns.d_resolution_low                               41.34 
_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                                     5804 
_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                           98.0 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                5.4 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          4.9 
_reflns.pdbx_res_netI_over_av_sigmaI_2                 ? 
_reflns.pdbx_res_netI_over_sigmaI_2                    ? 
_reflns.pdbx_chi_squared                               1.08 
_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                                0.357 
_reflns.pdbx_Rpim_I_all                                0.188 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       ? 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   0.953 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              0.301 
_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                                    2.61 
_reflns_shell.d_res_low                                     2.73 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           1.7 
_reflns_shell.number_measured_all                           ? 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             684 
_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                               5.5 
_reflns_shell.pdbx_chi_squared                              0.93 
_reflns_shell.pdbx_netI_over_sigmaI_all                     ? 
_reflns_shell.pdbx_netI_over_sigmaI_obs                     ? 
_reflns_shell.pdbx_Rrim_I_all                               3.017 
_reflns_shell.pdbx_Rpim_I_all                               1.610 
_reflns_shell.pdbx_rejects                                  ? 
_reflns_shell.pdbx_ordinal                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  0.265 
_reflns_shell.pdbx_CC_star                                  ? 
_reflns_shell.pdbx_R_split                                  ? 
_reflns_shell.percent_possible_all                          97.9 
_reflns_shell.Rmerge_I_all                                  ? 
_reflns_shell.Rmerge_I_obs                                  2.521 
_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                               63.73 
_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                                 9DPR 
_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                            2.61 
_refine.ls_d_res_low                             41.34 
_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                     5798 
_refine.ls_number_reflns_R_free                  306 
_refine.ls_number_reflns_R_work                  5492 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    96.86 
_refine.ls_percent_reflns_R_free                 5.28 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.2153 
_refine.ls_R_factor_R_free                       0.2662 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.2122 
_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                 31.8200 
_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                            0.3762 
_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                       2.61 
_refine_hist.d_res_low                        41.34 
_refine_hist.number_atoms_solvent             60 
_refine_hist.number_atoms_total               905 
_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        826 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         19 
_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' ? 0.0071 ? 854  ? f_bond_d           ? ? 
'X-RAY DIFFRACTION' ? 1.0071 ? 1157 ? f_angle_d          ? ? 
'X-RAY DIFFRACTION' ? 0.0560 ? 126  ? f_chiral_restr     ? ? 
'X-RAY DIFFRACTION' ? 0.0053 ? 145  ? f_plane_restr      ? ? 
'X-RAY DIFFRACTION' ? 9.5626 ? 311  ? 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' 2.61 3.29  . . 144 2696 97.73 . . . . 0.2621 . . . . . . . . . . . 0.3344 
'X-RAY DIFFRACTION' 3.29 41.34 . . 162 2796 96.04 . . . . 0.1943 . . . . . . . . . . . 0.2453 
# 
_struct.entry_id                     9DPR 
_struct.title                        'BMP-9 Wild-Type Dimer with Radiation Damage in Acidic 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        9DPR 
_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 3 ? 
D N N 3 ? 
E N N 3 ? 
F N N 3 ? 
G N N 3 ? 
H N N 3 ? 
I N N 3 ? 
J N N 3 ? 
K N N 3 ? 
L N N 3 ? 
M N N 4 ? 
N N N 4 ? 
O N N 4 ? 
P 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              9DPR 
_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 
# 
_struct_ref_seq_dif.align_id                     1 
_struct_ref_seq_dif.pdbx_pdb_id_code             9DPR 
_struct_ref_seq_dif.mon_id                       SER 
_struct_ref_seq_dif.pdbx_pdb_strand_id           A 
_struct_ref_seq_dif.seq_num                      2 
_struct_ref_seq_dif.pdbx_pdb_ins_code            ? 
_struct_ref_seq_dif.pdbx_seq_db_name             UNP 
_struct_ref_seq_dif.pdbx_seq_db_accession_code   Q9UK05 
_struct_ref_seq_dif.db_mon_id                    ALA 
_struct_ref_seq_dif.pdbx_seq_db_seq_num          321 
_struct_ref_seq_dif.details                      'engineered mutation' 
_struct_ref_seq_dif.pdbx_auth_seq_num            321 
_struct_ref_seq_dif.pdbx_ordinal                 1 
# 
_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,O,P 
1 2 A,B,C,D,E,F,G,H,I,J,K,L,M,N,O,P 
# 
_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 homodimer observed on 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' 6_545 x,-y-1/2,-z+1/4 1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 
-1.0000000000 0.0000000000 -35.5220000000 0.0000000000 0.0000000000 -1.0000000000 36.3910000000 
# 
_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 ? ? ? ? ? ? ? 2.032 ? ? 
disulf3 disulf ? ? A CYS 41 SG  ? ? ? 1_555 A CYS 109 SG ? ? A CYS 360 A CYS 428 1_555 ? ? ? ? ? ? ? 2.014 ? ? 
disulf4 disulf ? ? A CYS 73 SG  ? ? ? 1_555 A CYS 73  SG ? ? A CYS 392 A CYS 392 6_545 ? ? ? ? ? ? ? 2.847 ? ? 
metalc1 metalc ? ? A THR 67 OG1 ? ? ? 1_555 O NA  .   NA ? ? A THR 386 A NA  514 1_555 ? ? ? ? ? ? ? 2.728 ? ? 
metalc2 metalc ? ? A PRO 76 O   ? ? ? 1_555 M NA  .   NA ? ? A PRO 395 A NA  512 1_555 ? ? ? ? ? ? ? 3.004 ? ? 
metalc3 metalc ? ? M NA  .  NA  ? ? ? 1_555 P HOH .   O  ? ? A NA  512 A HOH 602 6_545 ? ? ? ? ? ? ? 2.874 ? ? 
metalc4 metalc ? ? N NA  .  NA  ? ? ? 1_555 P HOH .   O  ? ? A NA  513 A HOH 630 1_555 ? ? ? ? ? ? ? 2.949 ? ? 
metalc5 metalc ? ? N NA  .  NA  ? ? ? 1_555 P HOH .   O  ? ? A NA  513 A HOH 635 1_555 ? ? ? ? ? ? ? 2.642 ? ? 
# 
loop_
_struct_conn_type.id 
_struct_conn_type.criteria 
_struct_conn_type.reference 
disulf ? ? 
metalc ? ? 
# 
loop_
_pdbx_struct_conn_angle.id 
_pdbx_struct_conn_angle.ptnr1_label_atom_id 
_pdbx_struct_conn_angle.ptnr1_label_alt_id 
_pdbx_struct_conn_angle.ptnr1_label_asym_id 
_pdbx_struct_conn_angle.ptnr1_label_comp_id 
_pdbx_struct_conn_angle.ptnr1_label_seq_id 
_pdbx_struct_conn_angle.ptnr1_auth_atom_id 
_pdbx_struct_conn_angle.ptnr1_auth_asym_id 
_pdbx_struct_conn_angle.ptnr1_auth_comp_id 
_pdbx_struct_conn_angle.ptnr1_auth_seq_id 
_pdbx_struct_conn_angle.ptnr1_PDB_ins_code 
_pdbx_struct_conn_angle.ptnr1_symmetry 
_pdbx_struct_conn_angle.ptnr2_label_atom_id 
_pdbx_struct_conn_angle.ptnr2_label_alt_id 
_pdbx_struct_conn_angle.ptnr2_label_asym_id 
_pdbx_struct_conn_angle.ptnr2_label_comp_id 
_pdbx_struct_conn_angle.ptnr2_label_seq_id 
_pdbx_struct_conn_angle.ptnr2_auth_atom_id 
_pdbx_struct_conn_angle.ptnr2_auth_asym_id 
_pdbx_struct_conn_angle.ptnr2_auth_comp_id 
_pdbx_struct_conn_angle.ptnr2_auth_seq_id 
_pdbx_struct_conn_angle.ptnr2_PDB_ins_code 
_pdbx_struct_conn_angle.ptnr2_symmetry 
_pdbx_struct_conn_angle.ptnr3_label_atom_id 
_pdbx_struct_conn_angle.ptnr3_label_alt_id 
_pdbx_struct_conn_angle.ptnr3_label_asym_id 
_pdbx_struct_conn_angle.ptnr3_label_comp_id 
_pdbx_struct_conn_angle.ptnr3_label_seq_id 
_pdbx_struct_conn_angle.ptnr3_auth_atom_id 
_pdbx_struct_conn_angle.ptnr3_auth_asym_id 
_pdbx_struct_conn_angle.ptnr3_auth_comp_id 
_pdbx_struct_conn_angle.ptnr3_auth_seq_id 
_pdbx_struct_conn_angle.ptnr3_PDB_ins_code 
_pdbx_struct_conn_angle.ptnr3_symmetry 
_pdbx_struct_conn_angle.value 
_pdbx_struct_conn_angle.value_esd 
1 O ? A PRO 76 ? A PRO 395 ? 1_555 NA ? M NA . ? A NA 512 ? 1_555 O ? P HOH . ? A HOH 602 ? 6_545 96.8  ? 
2 O ? P HOH .  ? A HOH 630 ? 1_555 NA ? N NA . ? A NA 513 ? 1_555 O ? P HOH . ? A HOH 635 ? 1_555 113.0 ? 
# 
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 ? 6_545 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 -0.74 
2 PHE 43 A . ? PHE 362 A PRO 44 A ? PRO 363 A 1 13.79 
# 
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 THR A 11 ? N THR A 330 O GLU A 36 ? O GLU A 355 
AA2 1 2 N VAL A 15 ? N VAL A 334 O TYR A 32 ? O TYR A 351 
AA3 1 2 N ILE A 27 ? N ILE A 346 O LEU A 85 ? O LEU A 404 
AA3 2 3 N ILE A 82 ? N ILE A 401 O TYR A 99 ? O TYR A 418 
# 
_pdbx_entry_details.entry_id                   9DPR 
_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             59.65 
_pdbx_validate_torsion.psi             175.31 
# 
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  506 ? G CL  . 
2 1 A HOH 650 ? P 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 -22.1617023696 -4.7381234361  6.37555358455 0.405985209323 ? 0.0791780824573  ? 0.0690129267883  ? 
0.294030358358 ? 0.00930516775428 ? 0.469297071514 ? 7.79715488233 ? -1.21143001794  ? 0.22917669197   ? 6.03750891657 ? 
-3.44181253451  ? 9.4963703904  ? 0.360955854177  ? 0.472281230748  ? 0.411157162435   ? -0.131192181053 ? -0.492962906059 ? 
-0.363855608668 ? -0.799529009248 ? 0.785866648071  ? 0.102432441485  ? 
2 'X-RAY DIFFRACTION' ? refined -22.5541124253 -12.2144007955 29.7815422977 0.777653657825 ? -0.129531505882  ? -0.208410396612  ? 
0.434939444738 ? 0.0131132537797  ? 0.600668791737 ? 3.81062663397 ? 2.2891823715    ? 1.99874665701   ? 1.60225324227 ? 
0.0455575471546 ? 6.95311456826 ? -0.331223637622 ? -0.390234301541 ? 1.07564457942    ? 0.952889748507  ? -0.748859095975 ? 
0.0499372884603 ? -1.84035451039  ? 0.0869536725703 ? -0.142378520442 ? 
3 'X-RAY DIFFRACTION' ? refined -18.6532104797 -21.5205950626 26.851722604  0.334545996089 ? -0.0225067287359 ? 0.00495095904845 ? 
0.251026110681 ? -0.0457090995047 ? 0.322724213319 ? 4.08458964674 ? -0.256260821301 ? 2.00945354814   ? 3.99383426965 ? 
-2.22647780603  ? 5.95301822854 ? 0.28489287688   ? -0.53384499951  ? 0.195250691215   ? -0.42565804474  ? -0.215255551557 ? 
-0.160002358085 ? 0.0542553747597 ? 0.347060871866  ? 0.333389413081  ? 
4 'X-RAY DIFFRACTION' ? refined -32.9639066095 -7.80996165657 2.78949177234 0.470012053456 ? 0.224606417344   ? -0.0662486654724 ? 
0.369328219684 ? -0.0917953996374 ? 0.423546545041 ? 3.0083031573  ? 0.7472134066    ? -0.693370756558 ? 3.23478213276 ? 
-0.407713495699 ? 2.56338986338 ? 0.512136220621  ? 0.467395930241  ? -0.0860075885193 ? -0.563969718486 ? -0.135784220134 ? 
0.644715267127  ? 0.118433594125  ? -0.627854952399 ? -0.191252559855 ? 
# 
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 324 ? A 34  A 357 ? ? 
;chain 'A' and (resid  324  through  357 )
;
2 'X-RAY DIFFRACTION' 2 A 35 A 358 ? A 48  A 371 ? ? 
;chain 'A' and (resid  358  through  371 )
;
3 'X-RAY DIFFRACTION' 3 A 49 A 372 ? A 74  A 397 ? ? 
;chain 'A' and (resid  372  through  397 )
;
4 'X-RAY DIFFRACTION' 4 A 75 A 398 ? A 106 A 429 ? ? 
;chain 'A' and (resid  398  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                       660 
_pdbx_distant_solvent_atoms.PDB_ins_code                      ? 
_pdbx_distant_solvent_atoms.neighbor_macromolecule_distance   5.91 
_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 
# 
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                    9DPR 
_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]   0.014076 
_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]   0.014076 
_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]   0.006870 
_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    . GLY A 1 5   ? -14.27600 -3.14400  30.66000  1.000 117.67775 ? 324 GLY A N    1 
ATOM   2    C  CA   . GLY A 1 5   ? -15.22400 -4.21800  30.43300  1.000 139.35408 ? 324 GLY A CA   1 
ATOM   3    C  C    . GLY A 1 5   ? -15.45200 -4.50400  28.95800  1.000 147.45106 ? 324 GLY A C    1 
ATOM   4    O  O    . GLY A 1 5   ? -16.27900 -3.86000  28.31500  1.000 136.39097 ? 324 GLY A O    1 
ATOM   5    H  HA2  . GLY A 1 5   ? -14.90300 -5.02300  30.86800  1.000 167.27346 ? 324 GLY A HA2  1 
ATOM   6    H  HA3  . GLY A 1 5   ? -16.07000 -3.98900  30.84800  1.000 167.27346 ? 324 GLY A HA3  1 
ATOM   7    N  N    . SER A 1 6   ? -14.72000 -5.47900  28.41600  1.000 147.39859 ? 325 SER A N    1 
ATOM   8    C  CA   . SER A 1 6   ? -14.82400 -5.83700  27.00100  1.000 142.82718 ? 325 SER A CA   1 
ATOM   9    C  C    . SER A 1 6   ? -15.80800 -7.00500  26.94100  1.000 148.87619 ? 325 SER A C    1 
ATOM   10   O  O    . SER A 1 6   ? -15.42500 -8.17600  26.86700  1.000 152.41534 ? 325 SER A O    1 
ATOM   11   C  CB   . SER A 1 6   ? -13.44400 -6.18300  26.44100  1.000 145.84459 ? 325 SER A CB   1 
ATOM   12   O  OG   . SER A 1 6   ? -13.52400 -6.68100  25.11300  1.000 152.36559 ? 325 SER A OG   1 
ATOM   13   H  H    . SER A 1 6   ? -14.15100 -5.95000  28.85700  1.000 176.92687 ? 325 SER A H    1 
ATOM   14   H  HA   . SER A 1 6   ? -15.14700 -5.10600  26.45100  1.000 171.44118 ? 325 SER A HA   1 
ATOM   15   H  HB2  . SER A 1 6   ? -12.88100 -5.39300  26.45700  1.000 175.06207 ? 325 SER A HB2  1 
ATOM   16   H  HB3  . SER A 1 6   ? -13.02100 -6.84500  27.01000  1.000 175.06207 ? 325 SER A HB3  1 
ATOM   17   H  HG   . SER A 1 6   ? -14.03900 -7.34500  25.09300  1.000 182.88727 ? 325 SER A HG   1 
ATOM   18   N  N    . HIS A 1 7   ? -17.10300 -6.67400  26.95900  1.000 99.94409  ? 326 HIS A N    1 
ATOM   19   C  CA   . HIS A 1 7   ? -18.16300 -7.67800  26.92100  1.000 96.41701  ? 326 HIS A CA   1 
ATOM   20   C  C    . HIS A 1 7   ? -18.94000 -7.60300  25.60100  1.000 78.06970  ? 326 HIS A C    1 
ATOM   21   O  O    . HIS A 1 7   ? -18.68700 -6.74900  24.74300  1.000 82.09002  ? 326 HIS A O    1 
ATOM   22   C  CB   . HIS A 1 7   ? -19.08600 -7.52700  28.13500  1.000 69.86860  ? 326 HIS A CB   1 
ATOM   23   C  CG   . HIS A 1 7   ? -18.48800 -8.04500  29.41400  1.000 114.56152 ? 326 HIS A CG   1 
ATOM   24   N  ND1  . HIS A 1 7   ? -18.31800 -9.39300  29.66700  1.000 98.36271  ? 326 HIS A ND1  1 
ATOM   25   C  CD2  . HIS A 1 7   ? -18.02100 -7.39500  30.51000  1.000 93.75497  ? 326 HIS A CD2  1 
ATOM   26   C  CE1  . HIS A 1 7   ? -17.77000 -9.54900  30.86000  1.000 89.70860  ? 326 HIS A CE1  1 
ATOM   27   N  NE2  . HIS A 1 7   ? -17.58100 -8.35300  31.39300  1.000 93.99713  ? 326 HIS A NE2  1 
ATOM   28   H  H    . HIS A 1 7   ? -17.38700 -5.86300  26.99300  1.000 119.98147 ? 326 HIS A H    1 
ATOM   29   H  HA   . HIS A 1 7   ? -17.75900 -8.55900  26.96600  1.000 115.74897 ? 326 HIS A HA   1 
ATOM   30   H  HB2  . HIS A 1 7   ? -19.30900 -6.59000  28.24700  1.000 83.59953  ? 326 HIS A HB2  1 
ATOM   31   H  HB3  . HIS A 1 7   ? -19.91600 -7.99700  27.96100  1.000 83.59953  ? 326 HIS A HB3  1 
ATOM   32   H  HD2  . HIS A 1 7   ? -18.00200 -6.47400  30.64000  1.000 112.55452 ? 326 HIS A HD2  1 
ATOM   33   H  HE1  . HIS A 1 7   ? -17.55400 -10.36200 31.25700  1.000 107.69888 ? 326 HIS A HE1  1 
ATOM   34   H  HE2  . HIS A 1 7   ? -17.23800 -8.19900  32.16700  1.000 112.84511 ? 326 HIS A HE2  1 
ATOM   35   N  N    . CYS A 1 8   ? -19.91100 -8.50600  25.47000  1.000 60.65269  ? 327 CYS A N    1 
ATOM   36   C  CA   . CYS A 1 8   ? -20.60800 -8.79200  24.21700  1.000 66.00779  ? 327 CYS A CA   1 
ATOM   37   C  C    . CYS A 1 8   ? -21.55400 -7.63700  23.88800  1.000 55.86172  ? 327 CYS A C    1 
ATOM   38   O  O    . CYS A 1 8   ? -22.62600 -7.52500  24.48000  1.000 64.53093  ? 327 CYS A O    1 
ATOM   39   C  CB   . CYS A 1 8   ? -21.35500 -10.11800 24.34400  1.000 50.11360  ? 327 CYS A CB   1 
ATOM   40   S  SG   . CYS A 1 8   ? -22.25800 -10.61200 22.86400  1.000 63.02596  ? 327 CYS A SG   1 
ATOM   41   H  H    . CYS A 1 8   ? -20.19100 -8.98400  26.12800  1.000 72.83178  ? 327 CYS A H    1 
ATOM   42   H  HA   . CYS A 1 8   ? -19.97300 -8.87500  23.48800  1.000 79.25790  ? 327 CYS A HA   1 
ATOM   43   H  HB2  . CYS A 1 8   ? -20.71800 -10.81500 24.56800  1.000 59.89353  ? 327 CYS A HB2  1 
ATOM   44   H  HB3  . CYS A 1 8   ? -21.97900 -10.05500 25.08400  1.000 59.89353  ? 327 CYS A HB3  1 
ATOM   45   N  N    . GLN A 1 9   ? -21.21400 -6.82100  22.89100  1.000 49.72077  ? 328 GLN A N    1 
ATOM   46   C  CA   . GLN A 1 9   ? -22.09500 -5.73600  22.47500  1.000 55.81419  ? 328 GLN A CA   1 
ATOM   47   C  C    . GLN A 1 9   ? -22.08900 -5.58200  20.95600  1.000 53.65737  ? 328 GLN A C    1 
ATOM   48   O  O    . GLN A 1 9   ? -21.28300 -6.18200  20.23900  1.000 45.29532  ? 328 GLN A O    1 
ATOM   49   C  CB   . GLN A 1 9   ? -21.69300 -4.40800  23.12300  1.000 62.05258  ? 328 GLN A CB   1 
ATOM   50   C  CG   . GLN A 1 9   ? -20.29000 -3.97000  22.76300  1.000 62.39318  ? 328 GLN A CG   1 
ATOM   51   C  CD   . GLN A 1 9   ? -19.85600 -2.76000  23.55800  1.000 95.14298  ? 328 GLN A CD   1 
ATOM   52   O  OE1  . GLN A 1 9   ? -20.58800 -1.76500  23.65600  1.000 94.04138  ? 328 GLN A OE1  1 
ATOM   53   N  NE2  . GLN A 1 9   ? -18.66200 -2.83600  24.14400  1.000 98.39426  ? 328 GLN A NE2  1 
ATOM   54   H  H    . GLN A 1 9   ? -20.48100 -6.88000  22.44600  1.000 59.71348  ? 328 GLN A H    1 
ATOM   55   H  HA   . GLN A 1 9   ? -22.99000 -5.96600  22.77000  1.000 67.02559  ? 328 GLN A HA   1 
ATOM   56   H  HB2  . GLN A 1 9   ? -22.32000 -3.72000  22.85200  1.000 74.51165  ? 328 GLN A HB2  1 
ATOM   57   H  HB3  . GLN A 1 9   ? -21.76200 -4.49100  24.08700  1.000 74.51165  ? 328 GLN A HB3  1 
ATOM   58   H  HG2  . GLN A 1 9   ? -19.67200 -4.70100  22.92300  1.000 74.92038  ? 328 GLN A HG2  1 
ATOM   59   H  HG3  . GLN A 1 9   ? -20.24800 -3.76600  21.81600  1.000 74.92038  ? 328 GLN A HG3  1 
ATOM   60   H  HE21 . GLN A 1 9   ? -18.18200 -3.54400  24.05300  1.000 118.12167 ? 328 GLN A HE21 1 
ATOM   61   H  HE22 . GLN A 1 9   ? -18.37100 -2.17700  24.61400  1.000 118.12167 ? 328 GLN A HE22 1 
ATOM   62   N  N    . LYS A 1 10  ? -22.99900 -4.74200  20.46900  1.000 58.81971  ? 329 LYS A N    1 
ATOM   63   C  CA   . LYS A 1 10  ? -23.13100 -4.47600  19.04200  1.000 56.12576  ? 329 LYS A CA   1 
ATOM   64   C  C    . LYS A 1 10  ? -22.24700 -3.29400  18.65800  1.000 43.48466  ? 329 LYS A C    1 
ATOM   65   O  O    . LYS A 1 10  ? -22.41200 -2.19000  19.19000  1.000 85.11769  ? 329 LYS A O    1 
ATOM   66   C  CB   . LYS A 1 10  ? -24.58800 -4.19600  18.67800  1.000 40.00787  ? 329 LYS A CB   1 
ATOM   67   C  CG   . LYS A 1 10  ? -24.80900 -3.90600  17.20300  1.000 60.77353  ? 329 LYS A CG   1 
ATOM   68   C  CD   . LYS A 1 10  ? -26.27300 -3.63400  16.90000  1.000 43.39647  ? 329 LYS A CD   1 
ATOM   69   C  CE   . LYS A 1 10  ? -26.76400 -2.39000  17.62000  1.000 47.09366  ? 329 LYS A CE   1 
ATOM   70   N  NZ   . LYS A 1 10  ? -28.18900 -2.09600  17.30100  1.000 80.58892  ? 329 LYS A NZ   1 
ATOM   71   H  H    . LYS A 1 10  ? -23.55800 -4.31000  20.95900  1.000 70.63221  ? 329 LYS A H    1 
ATOM   72   H  HA   . LYS A 1 10  ? -22.84400 -5.26000  18.54800  1.000 67.39947  ? 329 LYS A HA   1 
ATOM   73   H  HB2  . LYS A 1 10  ? -25.12800 -4.96000  18.93300  1.000 47.76665  ? 329 LYS A HB2  1 
ATOM   74   H  HB3  . LYS A 1 10  ? -24.90300 -3.44000  19.19800  1.000 47.76665  ? 329 LYS A HB3  1 
ATOM   75   H  HG2  . LYS A 1 10  ? -24.27500 -3.14000  16.94000  1.000 72.97679  ? 329 LYS A HG2  1 
ATOM   76   H  HG3  . LYS A 1 10  ? -24.50300 -4.66000  16.67500  1.000 72.97679  ? 329 LYS A HG3  1 
ATOM   77   H  HD2  . LYS A 1 10  ? -26.39300 -3.52500  15.94400  1.000 52.12432  ? 329 LYS A HD2  1 
ATOM   78   H  HD3  . LYS A 1 10  ? -26.80800 -4.39800  17.16800  1.000 52.12432  ? 329 LYS A HD3  1 
ATOM   79   H  HE2  . LYS A 1 10  ? -26.66400 -2.50900  18.57700  1.000 56.56095  ? 329 LYS A HE2  1 
ATOM   80   H  HE3  . LYS A 1 10  ? -26.21300 -1.63200  17.37000  1.000 56.56095  ? 329 LYS A HE3  1 
ATOM   81   H  HZ1  . LYS A 1 10  ? -28.34200 -1.22500  17.40100  1.000 96.75526  ? 329 LYS A HZ1  1 
ATOM   82   H  HZ2  . LYS A 1 10  ? -28.36000 -2.33200  16.46000  1.000 96.75526  ? 329 LYS A HZ2  1 
ATOM   83   H  HZ3  . LYS A 1 10  ? -28.71700 -2.55500  17.85100  1.000 96.75526  ? 329 LYS A HZ3  1 
ATOM   84   N  N    . THR A 1 11  ? -21.34800 -3.55300  17.71000  1.000 66.31262  ? 330 THR A N    1 
ATOM   85   C  CA   . THR A 1 11  ? -20.43900 -2.50100  17.20200  1.000 79.44627  ? 330 THR A CA   1 
ATOM   86   C  C    . THR A 1 11  ? -20.66600 -2.29600  15.70700  1.000 44.15799  ? 330 THR A C    1 
ATOM   87   O  O    . THR A 1 11  ? -21.42500 -3.06700  15.12300  1.000 41.97874  ? 330 THR A O    1 
ATOM   88   C  CB   . THR A 1 11  ? -18.97600 -2.91000  17.36900  1.000 64.40668  ? 330 THR A CB   1 
ATOM   89   O  OG1  . THR A 1 11  ? -18.73600 -4.10600  16.62800  1.000 84.93070  ? 330 THR A OG1  1 
ATOM   90   C  CG2  . THR A 1 11  ? -18.62500 -3.11900  18.82300  1.000 77.40945  ? 330 THR A CG2  1 
ATOM   91   H  H    . THR A 1 11  ? -21.24200 -4.32400  17.34400  1.000 79.62370  ? 330 THR A H    1 
ATOM   92   H  HA   . THR A 1 11  ? -20.62500 -1.69400  17.70600  1.000 95.38408  ? 330 THR A HA   1 
ATOM   93   H  HB   . THR A 1 11  ? -18.41400 -2.19500  17.03200  1.000 77.33657  ? 330 THR A HB   1 
ATOM   94   H  HG1  . THR A 1 11  ? -19.40200 -4.61400  16.69300  1.000 101.96540 ? 330 THR A HG1  1 
ATOM   95   H  HG21 . THR A 1 11  ? -17.69300 -3.37700  18.89700  1.000 92.93989  ? 330 THR A HG21 1 
ATOM   96   H  HG22 . THR A 1 11  ? -18.77200 -2.29500  19.31300  1.000 92.93989  ? 330 THR A HG22 1 
ATOM   97   H  HG23 . THR A 1 11  ? -19.18400 -3.81900  19.19400  1.000 92.93989  ? 330 THR A HG23 1 
ATOM   98   N  N    . SER A 1 12  ? -19.99700 -1.31100  15.12300  1.000 69.99104  ? 331 SER A N    1 
ATOM   99   C  CA   . SER A 1 12  ? -20.28200 -0.88900  13.73300  1.000 47.70736  ? 331 SER A CA   1 
ATOM   100  C  C    . SER A 1 12  ? -19.58000 -1.79000  12.72400  1.000 49.84619  ? 331 SER A C    1 
ATOM   101  O  O    . SER A 1 12  ? -18.45200 -2.21700  13.00200  1.000 50.45191  ? 331 SER A O    1 
ATOM   102  C  CB   . SER A 1 12  ? -19.88400 0.54800   13.55100  1.000 47.58047  ? 331 SER A CB   1 
ATOM   103  O  OG   . SER A 1 12  ? -20.21600 1.03900   12.26000  1.000 101.32986 ? 331 SER A OG   1 
ATOM   104  H  H    . SER A 1 12  ? -19.36900 -0.86500  15.50700  1.000 84.03780  ? 331 SER A H    1 
ATOM   105  H  HA   . SER A 1 12  ? -21.23500 -0.97200  13.57100  1.000 57.29739  ? 331 SER A HA   1 
ATOM   106  H  HB2  . SER A 1 12  ? -20.32300 1.09100   14.22400  1.000 56.85377  ? 331 SER A HB2  1 
ATOM   107  H  HB3  . SER A 1 12  ? -18.92900 0.63800   13.69300  1.000 56.85377  ? 331 SER A HB3  1 
ATOM   108  H  HG   . SER A 1 12  ? -20.80300 0.54700   11.91500  1.000 121.64439 ? 331 SER A HG   1 
ATOM   109  N  N    . LEU A 1 13  ? -20.24200 -2.06300  11.60700  1.000 48.57840  ? 332 LEU A N    1 
ATOM   110  C  CA   . LEU A 1 13  ? -19.66400 -2.85100  10.52000  1.000 48.99942  ? 332 LEU A CA   1 
ATOM   111  C  C    . LEU A 1 13  ? -20.37400 -2.35100  9.26900   1.000 40.45770  ? 332 LEU A C    1 
ATOM   112  O  O    . LEU A 1 13  ? -21.58600 -2.54800  9.12800   1.000 41.15416  ? 332 LEU A O    1 
ATOM   113  C  CB   . LEU A 1 13  ? -19.82800 -4.34500  10.77700  1.000 57.59593  ? 332 LEU A CB   1 
ATOM   114  C  CG   . LEU A 1 13  ? -19.38200 -5.26300  9.63700   1.000 39.33923  ? 332 LEU A CG   1 
ATOM   115  C  CD1  . LEU A 1 13  ? -17.91400 -5.03500  9.31500   1.000 50.29073  ? 332 LEU A CD1  1 
ATOM   116  C  CD2  . LEU A 1 13  ? -19.64200 -6.72500  9.97200   1.000 41.59316  ? 332 LEU A CD2  1 
ATOM   117  H  H    . LEU A 1 13  ? -21.04500 -1.79500  11.45500  1.000 58.34264  ? 332 LEU A H    1 
ATOM   118  H  HA   . LEU A 1 13  ? -18.70500 -2.74000  10.43000  1.000 58.84787  ? 332 LEU A HA   1 
ATOM   119  H  HB2  . LEU A 1 13  ? -19.32600 -4.57700  11.57400  1.000 69.16368  ? 332 LEU A HB2  1 
ATOM   120  H  HB3  . LEU A 1 13  ? -20.76200 -4.52400  10.96900  1.000 69.16368  ? 332 LEU A HB3  1 
ATOM   121  H  HG   . LEU A 1 13  ? -19.90700 -5.04400  8.85100   1.000 47.25563  ? 332 LEU A HG   1 
ATOM   122  H  HD11 . LEU A 1 13  ? -17.64600 -5.62300  8.59200   1.000 60.39743  ? 332 LEU A HD11 1 
ATOM   123  H  HD12 . LEU A 1 13  ? -17.78100 -4.11200  9.04700   1.000 60.39743  ? 332 LEU A HD12 1 
ATOM   124  H  HD13 . LEU A 1 13  ? -17.37700 -5.22400  10.10000  1.000 60.39743  ? 332 LEU A HD13 1 
ATOM   125  H  HD21 . LEU A 1 13  ? -19.35100 -7.28300  9.23400   1.000 49.96036  ? 332 LEU A HD21 1 
ATOM   126  H  HD22 . LEU A 1 13  ? -19.15100 -6.96600  10.77300  1.000 49.96036  ? 332 LEU A HD22 1 
ATOM   127  H  HD23 . LEU A 1 13  ? -20.59100 -6.85900  10.12300  1.000 49.96036  ? 332 LEU A HD23 1 
ATOM   128  N  N    . ARG A 1 14  ? -19.65700 -1.62300  8.42200   1.000 57.72924  ? 333 ARG A N    1 
ATOM   129  C  CA   . ARG A 1 14  ? -20.23600 -1.16100  7.13900   1.000 58.44217  ? 333 ARG A CA   1 
ATOM   130  C  C    . ARG A 1 14  ? -19.86300 -2.18100  6.07400   1.000 44.66643  ? 333 ARG A C    1 
ATOM   131  O  O    . ARG A 1 14  ? -18.68500 -2.51200  5.97300   1.000 48.54879  ? 333 ARG A O    1 
ATOM   132  C  CB   . ARG A 1 14  ? -19.69300 0.21100   6.74600   1.000 54.72272  ? 333 ARG A CB   1 
ATOM   133  C  CG   . ARG A 1 14  ? -20.11200 1.34400   7.66600   1.000 98.42906  ? 333 ARG A CG   1 
ATOM   134  C  CD   . ARG A 1 14  ? -19.92400 2.71400   7.03900   1.000 106.97779 ? 333 ARG A CD   1 
ATOM   135  N  NE   . ARG A 1 14  ? -20.66700 2.84100   5.79000   1.000 116.04420 ? 333 ARG A NE   1 
ATOM   136  C  CZ   . ARG A 1 14  ? -21.95300 3.17500   5.70300   1.000 120.66199 ? 333 ARG A CZ   1 
ATOM   137  N  NH1  . ARG A 1 14  ? -22.66400 3.43100   6.79200   1.000 109.06439 ? 333 ARG A NH1  1 
ATOM   138  N  NH2  . ARG A 1 14  ? -22.52200 3.26100   4.51300   1.000 102.14681 ? 333 ARG A NH2  1 
ATOM   139  H  H    . ARG A 1 14  ? -18.84300 -1.38200  8.55800   1.000 69.32364  ? 333 ARG A H    1 
ATOM   140  H  HA   . ARG A 1 14  ? -21.19800 -1.08000  7.22800   1.000 70.17917  ? 333 ARG A HA   1 
ATOM   141  H  HB2  . ARG A 1 14  ? -18.72400 0.16800   6.72500   1.000 65.71582  ? 333 ARG A HB2  1 
ATOM   142  H  HB3  . ARG A 1 14  ? -19.98700 0.41600   5.84500   1.000 65.71582  ? 333 ARG A HB3  1 
ATOM   143  H  HG2  . ARG A 1 14  ? -21.04400 1.23000   7.90900   1.000 118.16343 ? 333 ARG A HG2  1 
ATOM   144  H  HG3  . ARG A 1 14  ? -19.59700 1.29500   8.48700   1.000 118.16343 ? 333 ARG A HG3  1 
ATOM   145  H  HD2  . ARG A 1 14  ? -20.21700 3.39800   7.66100   1.000 128.42191 ? 333 ARG A HD2  1 
ATOM   146  H  HD3  . ARG A 1 14  ? -18.98100 2.86700   6.87200   1.000 128.42191 ? 333 ARG A HD3  1 
ATOM   147  H  HE   . ARG A 1 14  ? -20.24400 2.68900   5.05700   1.000 139.30160 ? 333 ARG A HE   1 
ATOM   148  H  HH11 . ARG A 1 14  ? -22.29500 3.38200   7.56700   1.000 130.92582 ? 333 ARG A HH11 1 
ATOM   149  H  HH12 . ARG A 1 14  ? -23.49400 3.64600   6.72300   1.000 130.92582 ? 333 ARG A HH12 1 
ATOM   150  H  HH21 . ARG A 1 14  ? -22.06200 3.10200   3.80400   1.000 122.62473 ? 333 ARG A HH21 1 
ATOM   151  H  HH22 . ARG A 1 14  ? -23.35200 3.47600   4.44800   1.000 122.62473 ? 333 ARG A HH22 1 
ATOM   152  N  N    . VAL A 1 15  ? -20.84500 -2.64800  5.32000   1.000 44.87403  ? 334 VAL A N    1 
ATOM   153  C  CA   . VAL A 1 15  ? -20.57700 -3.71600  4.32500   1.000 39.27218  ? 334 VAL A CA   1 
ATOM   154  C  C    . VAL A 1 15  ? -20.80200 -3.18700  2.91500   1.000 37.50929  ? 334 VAL A C    1 
ATOM   155  O  O    . VAL A 1 15  ? -21.92700 -2.78400  2.61000   1.000 52.43080  ? 334 VAL A O    1 
ATOM   156  C  CB   . VAL A 1 15  ? -21.43800 -4.95900  4.59700   1.000 35.47395  ? 334 VAL A CB   1 
ATOM   157  C  CG1  . VAL A 1 15  ? -21.27900 -5.98900  3.49000   1.000 36.29763  ? 334 VAL A CG1  1 
ATOM   158  C  CG2  . VAL A 1 15  ? -21.11300 -5.56800  5.95000   1.000 53.31690  ? 334 VAL A CG2  1 
ATOM   159  H  H    . VAL A 1 15  ? -21.66100 -2.37800  5.35500   1.000 53.89739  ? 334 VAL A H    1 
ATOM   160  H  HA   . VAL A 1 15  ? -19.64900 -3.98500  4.40700   1.000 47.17518  ? 334 VAL A HA   1 
ATOM   161  H  HB   . VAL A 1 15  ? -22.36500 -4.67500  4.61200   1.000 42.61730  ? 334 VAL A HB   1 
ATOM   162  H  HG11 . VAL A 1 15  ? -21.83100 -6.76200  3.68500   1.000 43.60571  ? 334 VAL A HG11 1 
ATOM   163  H  HG12 . VAL A 1 15  ? -21.55400 -5.60100  2.64500   1.000 43.60571  ? 334 VAL A HG12 1 
ATOM   164  H  HG13 . VAL A 1 15  ? -20.35000 -6.26200  3.43300   1.000 43.60571  ? 334 VAL A HG13 1 
ATOM   165  H  HG21 . VAL A 1 15  ? -21.67000 -6.34900  6.09600   1.000 64.02884  ? 334 VAL A HG21 1 
ATOM   166  H  HG22 . VAL A 1 15  ? -20.17900 -5.82800  5.97200   1.000 64.02884  ? 334 VAL A HG22 1 
ATOM   167  H  HG23 . VAL A 1 15  ? -21.28300 -4.91600  6.64800   1.000 64.02884  ? 334 VAL A HG23 1 
ATOM   168  N  N    . ASN A 1 16  ? -19.75000 -3.19900  2.10300   1.000 58.03846  ? 335 ASN A N    1 
ATOM   169  C  CA   . ASN A 1 16  ? -19.87200 -2.81400  0.70300   1.000 47.37094  ? 335 ASN A CA   1 
ATOM   170  C  C    . ASN A 1 16  ? -20.23200 -4.05200  -0.11000  1.000 42.19276  ? 335 ASN A C    1 
ATOM   171  O  O    . ASN A 1 16  ? -19.51900 -5.06100  -0.06200  1.000 59.76505  ? 335 ASN A O    1 
ATOM   172  C  CB   . ASN A 1 16  ? -18.57300 -2.18700  0.19800   1.000 46.95676  ? 335 ASN A CB   1 
ATOM   173  C  CG   . ASN A 1 16  ? -18.75200 -1.44100  -1.11400  1.000 60.70302  ? 335 ASN A CG   1 
ATOM   174  O  OD1  . ASN A 1 16  ? -19.58000 -1.80900  -1.94700  1.000 92.17253  ? 335 ASN A OD1  1 
ATOM   175  N  ND2  . ASN A 1 16  ? -17.97300 -0.38200  -1.30000  1.000 71.04005  ? 335 ASN A ND2  1 
ATOM   176  H  H    . ASN A 1 16  ? -18.95700 -3.42700  2.34400   1.000 69.69471  ? 335 ASN A H    1 
ATOM   177  H  HA   . ASN A 1 16  ? -20.57000 -2.14700  0.60600   1.000 56.89368  ? 335 ASN A HA   1 
ATOM   178  H  HB2  . ASN A 1 16  ? -18.23100 -1.57600  0.86900   1.000 56.10532  ? 335 ASN A HB2  1 
ATOM   179  H  HB3  . ASN A 1 16  ? -17.90700 -2.88200  0.08200   1.000 56.10532  ? 335 ASN A HB3  1 
ATOM   180  H  HD21 . ASN A 1 16  ? -18.03600 0.07600   -2.02500  1.000 85.29661  ? 335 ASN A HD21 1 
ATOM   181  H  HD22 . ASN A 1 16  ? -17.40500 -0.15400  -0.69500  1.000 85.29661  ? 335 ASN A HD22 1 
ATOM   182  N  N    . PHE A 1 17  ? -21.33700 -3.97500  -0.85300  1.000 55.83640  ? 336 PHE A N    1 
ATOM   183  C  CA   . PHE A 1 17  ? -21.82100 -5.13200  -1.59800  1.000 42.38597  ? 336 PHE A CA   1 
ATOM   184  C  C    . PHE A 1 17  ? -20.87900 -5.55100  -2.71900  1.000 62.41905  ? 336 PHE A C    1 
ATOM   185  O  O    . PHE A 1 17  ? -20.91300 -6.71600  -3.13300  1.000 50.01893  ? 336 PHE A O    1 
ATOM   186  C  CB   . PHE A 1 17  ? -23.21200 -4.84600  -2.16300  1.000 49.18069  ? 336 PHE A CB   1 
ATOM   187  C  CG   . PHE A 1 17  ? -24.31400 -4.99100  -1.15300  1.000 39.32290  ? 336 PHE A CG   1 
ATOM   188  C  CD1  . PHE A 1 17  ? -24.27200 -6.00000  -0.20400  1.000 51.41851  ? 336 PHE A CD1  1 
ATOM   189  C  CD2  . PHE A 1 17  ? -25.38600 -4.11700  -1.14500  1.000 67.49034  ? 336 PHE A CD2  1 
ATOM   190  C  CE1  . PHE A 1 17  ? -25.28300 -6.13700  0.72800   1.000 47.57891  ? 336 PHE A CE1  1 
ATOM   191  C  CE2  . PHE A 1 17  ? -26.40000 -4.24800  -0.21500  1.000 48.87080  ? 336 PHE A CE2  1 
ATOM   192  C  CZ   . PHE A 1 17  ? -26.34800 -5.26000  0.72300   1.000 46.54678  ? 336 PHE A CZ   1 
ATOM   193  H  H    . PHE A 1 17  ? -21.81600 -3.26600  -0.93700  1.000 67.05224  ? 336 PHE A H    1 
ATOM   194  H  HA   . PHE A 1 17  ? -21.86300 -5.87300  -0.97300  1.000 50.62037  ? 336 PHE A HA   1 
ATOM   195  H  HB2  . PHE A 1 17  ? -23.22800 -3.94500  -2.52100  1.000 59.06538  ? 336 PHE A HB2  1 
ATOM   196  H  HB3  . PHE A 1 17  ? -23.38200 -5.44800  -2.90400  1.000 59.06538  ? 336 PHE A HB3  1 
ATOM   197  H  HD1  . PHE A 1 17  ? -23.55500 -6.59200  -0.19400  1.000 61.75077  ? 336 PHE A HD1  1 
ATOM   198  H  HD2  . PHE A 1 17  ? -25.42500 -3.43300  -1.77300  1.000 81.03696  ? 336 PHE A HD2  1 
ATOM   199  H  HE1  . PHE A 1 17  ? -25.24600 -6.82000  1.35800   1.000 57.14325  ? 336 PHE A HE1  1 
ATOM   200  H  HE2  . PHE A 1 17  ? -27.11700 -3.65500  -0.22100  1.000 58.69352  ? 336 PHE A HE2  1 
ATOM   201  H  HZ   . PHE A 1 17  ? -27.02900 -5.35000  1.35000   1.000 55.90469  ? 336 PHE A HZ   1 
ATOM   202  N  N    . GLU A 1 18  ? -20.04600 -4.63600  -3.21800  1.000 57.03347  ? 337 GLU A N    1 
ATOM   203  C  CA   . GLU A 1 18  ? -19.08400 -4.99900  -4.25300  1.000 53.60485  ? 337 GLU A CA   1 
ATOM   204  C  C    . GLU A 1 18  ? -17.96000 -5.85700  -3.68500  1.000 59.71534  ? 337 GLU A C    1 
ATOM   205  O  O    . GLU A 1 18  ? -17.47700 -6.78100  -4.35100  1.000 69.89621  ? 337 GLU A O    1 
ATOM   206  C  CB   . GLU A 1 18  ? -18.51800 -3.73900  -4.90700  1.000 57.67577  ? 337 GLU A CB   1 
ATOM   207  C  CG   . GLU A 1 18  ? -17.45400 -4.00700  -5.96000  1.000 81.11942  ? 337 GLU A CG   1 
ATOM   208  C  CD   . GLU A 1 18  ? -16.77900 -2.73900  -6.44400  1.000 111.44000 ? 337 GLU A CD   1 
ATOM   209  O  OE1  . GLU A 1 18  ? -17.14100 -1.64700  -5.95800  1.000 124.07635 ? 337 GLU A OE1  1 
ATOM   210  O  OE2  . GLU A 1 18  ? -15.88300 -2.83500  -7.31000  1.000 106.49308 ? 337 GLU A OE2  1 
ATOM   211  H  H    . GLU A 1 18  ? -20.02300 -3.81200  -2.97400  1.000 68.48873  ? 337 GLU A H    1 
ATOM   212  H  HA   . GLU A 1 18  ? -19.54500 -5.52400  -4.92600  1.000 64.18786  ? 337 GLU A HA   1 
ATOM   213  H  HB2  . GLU A 1 18  ? -19.24500 -3.24400  -5.31500  1.000 69.25948  ? 337 GLU A HB2  1 
ATOM   214  H  HB3  . GLU A 1 18  ? -18.14000 -3.17100  -4.21800  1.000 69.25948  ? 337 GLU A HB3  1 
ATOM   215  H  HG2  . GLU A 1 18  ? -16.78500 -4.60600  -5.59300  1.000 97.39186  ? 337 GLU A HG2  1 
ATOM   216  H  HG3  . GLU A 1 18  ? -17.85900 -4.46200  -6.71500  1.000 97.39186  ? 337 GLU A HG3  1 
ATOM   217  N  N    . ASP A 1 19  ? -17.53500 -5.57000  -2.45200  1.000 78.20536  ? 338 ASP A N    1 
ATOM   218  C  CA   . ASP A 1 19  ? -16.42900 -6.30900  -1.85300  1.000 72.11460  ? 338 ASP A CA   1 
ATOM   219  C  C    . ASP A 1 19  ? -16.79700 -7.76700  -1.60000  1.000 63.16227  ? 338 ASP A C    1 
ATOM   220  O  O    . ASP A 1 19  ? -15.92600 -8.64100  -1.66100  1.000 87.04620  ? 338 ASP A O    1 
ATOM   221  C  CB   . ASP A 1 19  ? -15.98900 -5.63000  -0.55700  1.000 90.40316  ? 338 ASP A CB   1 
ATOM   222  C  CG   . ASP A 1 19  ? -15.44800 -4.23400  -0.78600  1.000 99.95007  ? 338 ASP A CG   1 
ATOM   223  O  OD1  . ASP A 1 19  ? -15.39000 -3.80400  -1.95700  1.000 97.33192  ? 338 ASP A OD1  1 
ATOM   224  O  OD2  . ASP A 1 19  ? -15.07900 -3.56600  0.20400   1.000 99.95911  ? 338 ASP A OD2  1 
ATOM   225  H  H    . ASP A 1 19  ? -17.87200 -4.95600  -1.95200  1.000 93.89499  ? 338 ASP A H    1 
ATOM   226  H  HA   . ASP A 1 19  ? -15.68900 -6.30400  -2.48000  1.000 86.58608  ? 338 ASP A HA   1 
ATOM   227  H  HB2  . ASP A 1 19  ? -16.74200 -5.58500  0.05300   1.000 108.53235 ? 338 ASP A HB2  1 
ATOM   228  H  HB3  . ASP A 1 19  ? -15.30800 -6.17100  -0.12700  1.000 108.53235 ? 338 ASP A HB3  1 
ATOM   229  N  N    . ILE A 1 20  ? -18.07200 -8.05300  -1.33500  1.000 61.33238  ? 339 ILE A N    1 
ATOM   230  C  CA   . ILE A 1 20  ? -18.50500 -9.41300  -1.02300  1.000 53.26532  ? 339 ILE A CA   1 
ATOM   231  C  C    . ILE A 1 20  ? -19.03000 -10.10000 -2.27600  1.000 67.89217  ? 339 ILE A C    1 
ATOM   232  O  O    . ILE A 1 20  ? -19.54400 -11.22300 -2.21100  1.000 59.07887  ? 339 ILE A O    1 
ATOM   233  C  CB   . ILE A 1 20  ? -19.57000 -9.41500  0.08800   1.000 51.63310  ? 339 ILE A CB   1 
ATOM   234  C  CG1  . ILE A 1 20  ? -20.83800 -8.69500  -0.37900  1.000 59.52182  ? 339 ILE A CG1  1 
ATOM   235  C  CG2  . ILE A 1 20  ? -19.01800 -8.76600  1.34600   1.000 49.40866  ? 339 ILE A CG2  1 
ATOM   236  C  CD1  . ILE A 1 20  ? -21.96800 -8.73200  0.62800   1.000 50.42466  ? 339 ILE A CD1  1 
ATOM   237  H  H    . ILE A 1 20  ? -18.70400 -7.47000  -1.33100  1.000 73.64742  ? 339 ILE A H    1 
ATOM   238  H  HA   . ILE A 1 20  ? -17.73800 -9.90900  -0.69700  1.000 63.96695  ? 339 ILE A HA   1 
ATOM   239  H  HB   . ILE A 1 20  ? -19.80200 -10.33400 0.29200   1.000 62.00828  ? 339 ILE A HB   1 
ATOM   240  H  HG12 . ILE A 1 20  ? -20.62100 -7.77000  -0.57500  1.000 71.47474  ? 339 ILE A HG12 1 
ATOM   241  H  HG13 . ILE A 1 20  ? -21.14100 -9.09700  -1.20800  1.000 71.47474  ? 339 ILE A HG13 1 
ATOM   242  H  HG21 . ILE A 1 20  ? -19.69700 -8.77300  2.03900   1.000 59.33895  ? 339 ILE A HG21 1 
ATOM   243  H  HG22 . ILE A 1 20  ? -18.24100 -9.26000  1.65100   1.000 59.33895  ? 339 ILE A HG22 1 
ATOM   244  H  HG23 . ILE A 1 20  ? -18.76300 -7.85000  1.15300   1.000 59.33895  ? 339 ILE A HG23 1 
ATOM   245  H  HD11 . ILE A 1 20  ? -22.73600 -8.26000  0.27000   1.000 60.55815  ? 339 ILE A HD11 1 
ATOM   246  H  HD12 . ILE A 1 20  ? -22.21100 -9.65400  0.80900   1.000 60.55815  ? 339 ILE A HD12 1 
ATOM   247  H  HD13 . ILE A 1 20  ? -21.68200 -8.30600  1.45100   1.000 60.55815  ? 339 ILE A HD13 1 
ATOM   248  N  N    . GLY A 1 21  ? -18.90900 -9.43400  -3.42200  1.000 58.92507  ? 340 GLY A N    1 
ATOM   249  C  CA   . GLY A 1 21  ? -19.34400 -10.01600 -4.67500  1.000 61.12142  ? 340 GLY A CA   1 
ATOM   250  C  C    . GLY A 1 21  ? -20.84000 -10.10100 -4.87100  1.000 53.92123  ? 340 GLY A C    1 
ATOM   251  O  O    . GLY A 1 21  ? -21.29900 -10.89700 -5.69600  1.000 82.42386  ? 340 GLY A O    1 
ATOM   252  H  H    . GLY A 1 21  ? -18.57700 -8.64400  -3.48900  1.000 70.75864  ? 340 GLY A H    1 
ATOM   253  H  HA2  . GLY A 1 21  ? -18.96800 -9.49600  -5.40200  1.000 73.39427  ? 340 GLY A HA2  1 
ATOM   254  H  HA3  . GLY A 1 21  ? -18.97400 -10.91000 -4.74400  1.000 73.39427  ? 340 GLY A HA3  1 
ATOM   255  N  N    . TRP A 1 22  ? -21.61900 -9.30600  -4.13900  1.000 49.91248  ? 341 TRP A N    1 
ATOM   256  C  CA   . TRP A 1 22  ? -23.06700 -9.27600  -4.30300  1.000 50.81176  ? 341 TRP A CA   1 
ATOM   257  C  C    . TRP A 1 22  ? -23.53500 -8.15500  -5.21900  1.000 57.19618  ? 341 TRP A C    1 
ATOM   258  O  O    . TRP A 1 22  ? -24.74100 -8.02900  -5.45700  1.000 61.14683  ? 341 TRP A O    1 
ATOM   259  C  CB   . TRP A 1 22  ? -23.75600 -9.15000  -2.93900  1.000 51.01609  ? 341 TRP A CB   1 
ATOM   260  C  CG   . TRP A 1 22  ? -23.85200 -10.44600 -2.19400  1.000 53.13735  ? 341 TRP A CG   1 
ATOM   261  C  CD1  . TRP A 1 22  ? -23.17800 -11.60100 -2.46700  1.000 49.96419  ? 341 TRP A CD1  1 
ATOM   262  C  CD2  . TRP A 1 22  ? -24.68400 -10.72600 -1.06100  1.000 44.57660  ? 341 TRP A CD2  1 
ATOM   263  N  NE1  . TRP A 1 22  ? -23.53200 -12.57900 -1.57000  1.000 50.15505  ? 341 TRP A NE1  1 
ATOM   264  C  CE2  . TRP A 1 22  ? -24.45600 -12.06800 -0.69700  1.000 62.34978  ? 341 TRP A CE2  1 
ATOM   265  C  CE3  . TRP A 1 22  ? -25.59700 -9.97100  -0.31800  1.000 57.00989  ? 341 TRP A CE3  1 
ATOM   266  C  CZ2  . TRP A 1 22  ? -25.10700 -12.67100 0.37700   1.000 38.97790  ? 341 TRP A CZ2  1 
ATOM   267  C  CZ3  . TRP A 1 22  ? -26.24200 -10.57200 0.74900   1.000 40.57632  ? 341 TRP A CZ3  1 
ATOM   268  C  CH2  . TRP A 1 22  ? -25.99500 -11.90900 1.08600   1.000 36.29835  ? 341 TRP A CH2  1 
ATOM   269  H  H    . TRP A 1 22  ? -21.32200 -8.77100  -3.53500  1.000 59.65218  ? 341 TRP A H    1 
ATOM   270  H  HA   . TRP A 1 22  ? -23.31500 -10.11400 -4.72300  1.000 61.02268  ? 341 TRP A HA   1 
ATOM   271  H  HB2  . TRP A 1 22  ? -23.26900 -8.50900  -2.39700  1.000 61.26787  ? 341 TRP A HB2  1 
ATOM   272  H  HB3  . TRP A 1 22  ? -24.64900 -8.79300  -3.06800  1.000 61.26787  ? 341 TRP A HB3  1 
ATOM   273  H  HD1  . TRP A 1 22  ? -22.56700 -11.71000 -3.16000  1.000 60.00558  ? 341 TRP A HD1  1 
ATOM   274  H  HE1  . TRP A 1 22  ? -23.22400 -13.38200 -1.55800  1.000 60.23462  ? 341 TRP A HE1  1 
ATOM   275  H  HE3  . TRP A 1 22  ? -25.76700 -9.08300  -0.53600  1.000 68.46043  ? 341 TRP A HE3  1 
ATOM   276  H  HZ2  . TRP A 1 22  ? -24.94400 -13.55800 0.60300   1.000 46.53068  ? 341 TRP A HZ2  1 
ATOM   277  H  HZ3  . TRP A 1 22  ? -26.85000 -10.07900 1.25100   1.000 48.74014  ? 341 TRP A HZ3  1 
ATOM   278  H  HH2  . TRP A 1 22  ? -26.44400 -12.28700 1.80700   1.000 43.36588  ? 341 TRP A HH2  1 
ATOM   279  N  N    . ASP A 1 23  ? -22.61500 -7.34300  -5.74400  1.000 73.75717  ? 342 ASP A N    1 
ATOM   280  C  CA   . ASP A 1 23  ? -22.98800 -6.28900  -6.67800  1.000 82.32144  ? 342 ASP A CA   1 
ATOM   281  C  C    . ASP A 1 23  ? -23.44600 -6.83300  -8.02400  1.000 73.17101  ? 342 ASP A C    1 
ATOM   282  O  O    . ASP A 1 23  ? -24.01400 -6.07500  -8.81700  1.000 70.89751  ? 342 ASP A O    1 
ATOM   283  C  CB   . ASP A 1 23  ? -21.81500 -5.32700  -6.88200  1.000 77.43913  ? 342 ASP A CB   1 
ATOM   284  C  CG   . ASP A 1 23  ? -20.57800 -6.02100  -7.41700  1.000 105.82097 ? 342 ASP A CG   1 
ATOM   285  O  OD1  . ASP A 1 23  ? -20.41200 -7.23100  -7.15500  1.000 105.18533 ? 342 ASP A OD1  1 
ATOM   286  O  OD2  . ASP A 1 23  ? -19.77000 -5.35500  -8.09800  1.000 110.38009 ? 342 ASP A OD2  1 
ATOM   287  H  H    . ASP A 1 23  ? -21.77400 -7.38800  -5.57100  1.000 88.55717  ? 342 ASP A H    1 
ATOM   288  H  HA   . ASP A 1 23  ? -23.74000 -5.81800  -6.28600  1.000 98.83428  ? 342 ASP A HA   1 
ATOM   289  H  HB2  . ASP A 1 23  ? -22.08000 -4.62500  -7.49700  1.000 92.97552  ? 342 ASP A HB2  1 
ATOM   290  H  HB3  . ASP A 1 23  ? -21.60200 -4.89900  -6.03800  1.000 92.97552  ? 342 ASP A HB3  1 
ATOM   291  N  N    . SER A 1 24  ? -23.21600 -8.11900  -8.29900  1.000 96.88859  ? 343 SER A N    1 
ATOM   292  C  CA   . SER A 1 24  ? -23.66200 -8.70600  -9.55500  1.000 111.94264 ? 343 SER A CA   1 
ATOM   293  C  C    . SER A 1 24  ? -25.18300 -8.76600  -9.62200  1.000 95.78680  ? 343 SER A C    1 
ATOM   294  O  O    . SER A 1 24  ? -25.73900 -8.81700  -10.72400 1.000 118.01628 ? 343 SER A O    1 
ATOM   295  C  CB   . SER A 1 24  ? -22.98500 -10.06100 -9.77100  1.000 108.87492 ? 343 SER A CB   1 
ATOM   296  O  OG   . SER A 1 24  ? -23.25200 -10.94300 -8.69500  1.000 118.07691 ? 343 SER A OG   1 
ATOM   297  H  H    . SER A 1 24  ? -22.80600 -8.66200  -7.77300  1.000 116.31486 ? 343 SER A H    1 
ATOM   298  H  HA   . SER A 1 24  ? -23.39000 -8.13800  -10.29300 1.000 134.37973 ? 343 SER A HA   1 
ATOM   299  H  HB2  . SER A 1 24  ? -23.29900 -10.45400 -10.60000 1.000 130.69846 ? 343 SER A HB2  1 
ATOM   300  H  HB3  . SER A 1 24  ? -22.02700 -9.93600  -9.86100  1.000 130.69846 ? 343 SER A HB3  1 
ATOM   301  H  HG   . SER A 1 24  ? -22.87300 -11.67900 -8.83500  1.000 141.74086 ? 343 SER A HG   1 
ATOM   302  N  N    . TRP A 1 25  ? -25.86600 -8.76400  -8.47500  1.000 66.35609  ? 344 TRP A N    1 
ATOM   303  C  CA   . TRP A 1 25  ? -27.31600 -8.88000  -8.44700  1.000 85.49270  ? 344 TRP A CA   1 
ATOM   304  C  C    . TRP A 1 25  ? -27.99500 -7.81500  -7.59800  1.000 98.20451  ? 344 TRP A C    1 
ATOM   305  O  O    . TRP A 1 25  ? -29.22900 -7.75900  -7.58400  1.000 85.58412  ? 344 TRP A O    1 
ATOM   306  C  CB   . TRP A 1 25  ? -27.73600 -10.27200 -7.94600  1.000 76.81678  ? 344 TRP A CB   1 
ATOM   307  C  CG   . TRP A 1 25  ? -27.58000 -10.46400 -6.46600  1.000 81.57407  ? 344 TRP A CG   1 
ATOM   308  C  CD1  . TRP A 1 25  ? -26.41600 -10.66000 -5.78100  1.000 109.36525 ? 344 TRP A CD1  1 
ATOM   309  C  CD2  . TRP A 1 25  ? -28.62900 -10.49400 -5.48900  1.000 74.91948  ? 344 TRP A CD2  1 
ATOM   310  N  NE1  . TRP A 1 25  ? -26.67400 -10.80200 -4.43900  1.000 85.00234  ? 344 TRP A NE1  1 
ATOM   311  C  CE2  . TRP A 1 25  ? -28.02500 -10.70500 -4.23300  1.000 83.94418  ? 344 TRP A CE2  1 
ATOM   312  C  CE3  . TRP A 1 25  ? -30.02000 -10.35900 -5.55400  1.000 95.50051  ? 344 TRP A CE3  1 
ATOM   313  C  CZ2  . TRP A 1 25  ? -28.76300 -10.78400 -3.05400  1.000 71.79797  ? 344 TRP A CZ2  1 
ATOM   314  C  CZ3  . TRP A 1 25  ? -30.75100 -10.43800 -4.38200  1.000 84.42362  ? 344 TRP A CZ3  1 
ATOM   315  C  CH2  . TRP A 1 25  ? -30.12100 -10.64900 -3.14900  1.000 97.51183  ? 344 TRP A CH2  1 
ATOM   316  H  H    . TRP A 1 25  ? -25.50100 -8.69600  -7.69900  1.000 79.67586  ? 344 TRP A H    1 
ATOM   317  H  HA   . TRP A 1 25  ? -27.61000 -8.74700  -9.36200  1.000 102.63979 ? 344 TRP A HA   1 
ATOM   318  H  HB2  . TRP A 1 25  ? -28.66300 -10.42500 -8.18600  1.000 92.22870  ? 344 TRP A HB2  1 
ATOM   319  H  HB3  . TRP A 1 25  ? -27.20900 -10.94300 -8.40700  1.000 92.22870  ? 344 TRP A HB3  1 
ATOM   320  H  HD1  . TRP A 1 25  ? -25.57000 -10.69300 -6.16700  1.000 131.28686 ? 344 TRP A HD1  1 
ATOM   321  H  HE1  . TRP A 1 25  ? -26.08300 -10.93100 -3.82700  1.000 102.05137 ? 344 TRP A HE1  1 
ATOM   322  H  HE3  . TRP A 1 25  ? -30.44500 -10.21900 -6.36900  1.000 114.64917 ? 344 TRP A HE3  1 
ATOM   323  H  HZ2  . TRP A 1 25  ? -28.34800 -10.92300 -2.23300  1.000 86.20613  ? 344 TRP A HZ2  1 
ATOM   324  H  HZ3  . TRP A 1 25  ? -31.67600 -10.35000 -4.41300  1.000 101.35691 ? 344 TRP A HZ3  1 
ATOM   325  H  HH2  . TRP A 1 25  ? -30.63800 -10.69800 -2.37700  1.000 117.06275 ? 344 TRP A HH2  1 
ATOM   326  N  N    . ILE A 1 26  ? -27.24000 -6.97400  -6.89600  1.000 55.33356  ? 345 ILE A N    1 
ATOM   327  C  CA   . ILE A 1 26  ? -27.79700 -5.90400  -6.07500  1.000 52.43678  ? 345 ILE A CA   1 
ATOM   328  C  C    . ILE A 1 26  ? -27.39100 -4.57300  -6.69300  1.000 54.64601  ? 345 ILE A C    1 
ATOM   329  O  O    . ILE A 1 26  ? -26.19600 -4.26200  -6.78900  1.000 55.04431  ? 345 ILE A O    1 
ATOM   330  C  CB   . ILE A 1 26  ? -27.32900 -5.99900  -4.61500  1.000 47.63413  ? 345 ILE A CB   1 
ATOM   331  C  CG1  . ILE A 1 26  ? -27.92900 -7.23400  -3.94200  1.000 46.68138  ? 345 ILE A CG1  1 
ATOM   332  C  CG2  . ILE A 1 26  ? -27.70900 -4.74000  -3.85200  1.000 45.81120  ? 345 ILE A CG2  1 
ATOM   333  C  CD1  . ILE A 1 26  ? -27.57100 -7.36600  -2.47700  1.000 46.15901  ? 345 ILE A CD1  1 
ATOM   334  H  H    . ILE A 1 26  ? -26.38100 -7.01000  -6.88300  1.000 66.22834  ? 345 ILE A H    1 
ATOM   335  H  HA   . ILE A 1 26  ? -28.76400 -5.98400  -6.05700  1.000 62.68135  ? 345 ILE A HA   1 
ATOM   336  H  HB   . ILE A 1 26  ? -26.36300 -6.08300  -4.60600  1.000 56.96098  ? 345 ILE A HB   1 
ATOM   337  H  HG12 . ILE A 1 26  ? -28.89500 -7.20200  -4.02900  1.000 56.06622  ? 345 ILE A HG12 1 
ATOM   338  H  HG13 . ILE A 1 26  ? -27.62800 -8.02700  -4.41300  1.000 56.06622  ? 345 ILE A HG13 1 
ATOM   339  H  HG21 . ILE A 1 26  ? -27.40700 -4.81500  -2.93300  1.000 54.75709  ? 345 ILE A HG21 1 
ATOM   340  H  HG22 . ILE A 1 26  ? -27.29000 -3.97000  -4.26800  1.000 54.75709  ? 345 ILE A HG22 1 
ATOM   341  H  HG23 . ILE A 1 26  ? -28.67300 -4.63000  -3.86800  1.000 54.75709  ? 345 ILE A HG23 1 
ATOM   342  H  HD11 . ILE A 1 26  ? -27.98200 -8.16600  -2.11400  1.000 55.43938  ? 345 ILE A HD11 1 
ATOM   343  H  HD12 . ILE A 1 26  ? -26.60700 -7.42700  -2.38300  1.000 55.43938  ? 345 ILE A HD12 1 
ATOM   344  H  HD13 . ILE A 1 26  ? -27.89400 -6.59000  -1.99400  1.000 55.43938  ? 345 ILE A HD13 1 
ATOM   345  N  N    . ILE A 1 27  ? -28.38400 -3.78800  -7.10800  1.000 66.40823  ? 346 ILE A N    1 
ATOM   346  C  CA   . ILE A 1 27  ? -28.10700 -2.48400  -7.70100  1.000 60.96706  ? 346 ILE A CA   1 
ATOM   347  C  C    . ILE A 1 27  ? -27.82400 -1.45000  -6.62000  1.000 57.35432  ? 346 ILE A C    1 
ATOM   348  O  O    . ILE A 1 27  ? -26.81300 -0.74000  -6.66700  1.000 65.21954  ? 346 ILE A O    1 
ATOM   349  C  CB   . ILE A 1 27  ? -29.27800 -2.04400  -8.60000  1.000 63.75499  ? 346 ILE A CB   1 
ATOM   350  C  CG1  . ILE A 1 27  ? -29.63500 -3.14400  -9.59900  1.000 67.04748  ? 346 ILE A CG1  1 
ATOM   351  C  CG2  . ILE A 1 27  ? -28.93300 -0.75300  -9.32600  1.000 67.64947  ? 346 ILE A CG2  1 
ATOM   352  C  CD1  . ILE A 1 27  ? -30.83500 -2.80800  -10.45400 1.000 84.06112  ? 346 ILE A CD1  1 
ATOM   353  H  H    . ILE A 1 27  ? -29.21800 -3.99100  -7.05500  1.000 79.73844  ? 346 ILE A H    1 
ATOM   354  H  HA   . ILE A 1 27  ? -27.31400 -2.55800  -8.25400  1.000 73.20904  ? 346 ILE A HA   1 
ATOM   355  H  HB   . ILE A 1 27  ? -30.05200 -1.88300  -8.03800  1.000 76.26319  ? 346 ILE A HB   1 
ATOM   356  H  HG12 . ILE A 1 27  ? -28.87200 -3.31000  -10.17400 1.000 80.21418  ? 346 ILE A HG12 1 
ATOM   357  H  HG13 . ILE A 1 27  ? -29.81000 -3.96700  -9.11600  1.000 80.21418  ? 346 ILE A HG13 1 
ATOM   358  H  HG21 . ILE A 1 27  ? -29.67800 -0.48800  -9.88800  1.000 80.93657  ? 346 ILE A HG21 1 
ATOM   359  H  HG22 . ILE A 1 27  ? -28.75300 -0.05500  -8.67700  1.000 80.93657  ? 346 ILE A HG22 1 
ATOM   360  H  HG23 . ILE A 1 27  ? -28.14700 -0.89200  -9.87700  1.000 80.93657  ? 346 ILE A HG23 1 
ATOM   361  H  HD11 . ILE A 1 27  ? -31.01200 -3.54000  -11.06500 1.000 100.92190 ? 346 ILE A HD11 1 
ATOM   362  H  HD12 . ILE A 1 27  ? -31.60800 -2.66800  -9.88600  1.000 100.92190 ? 346 ILE A HD12 1 
ATOM   363  H  HD13 . ILE A 1 27  ? -30.65600 -2.00000  -10.96100 1.000 100.92190 ? 346 ILE A HD13 1 
ATOM   364  N  N    . ALA A 1 28  ? -28.71000 -1.34900  -5.63500  1.000 54.25303  ? 347 ALA A N    1 
ATOM   365  C  CA   . ALA A 1 28  ? -28.61400 -0.35100  -4.58400  1.000 52.62802  ? 347 ALA A CA   1 
ATOM   366  C  C    . ALA A 1 28  ? -29.09000 -0.94900  -3.26900  1.000 52.21572  ? 347 ALA A C    1 
ATOM   367  O  O    . ALA A 1 28  ? -29.96400 -1.82400  -3.26200  1.000 49.17925  ? 347 ALA A O    1 
ATOM   368  C  CB   . ALA A 1 28  ? -29.44600 0.89800   -4.92100  1.000 71.63688  ? 347 ALA A CB   1 
ATOM   369  H  H    . ALA A 1 28  ? -29.39200 -1.86700  -5.56000  1.000 64.86085  ? 347 ALA A H    1 
ATOM   370  H  HA   . ALA A 1 28  ? -27.68600 -0.08000  -4.50500  1.000 62.91083  ? 347 ALA A HA   1 
ATOM   371  H  HB1  . ALA A 1 28  ? -29.36300 1.54500   -4.20300  1.000 86.01281  ? 347 ALA A HB1  1 
ATOM   372  H  HB2  . ALA A 1 28  ? -29.12300 1.28900   -5.74800  1.000 86.01281  ? 347 ALA A HB2  1 
ATOM   373  H  HB3  . ALA A 1 28  ? -30.37800 0.64800   -5.02500  1.000 86.01281  ? 347 ALA A HB3  1 
ATOM   374  N  N    . PRO A 1 29  ? -28.53000 -0.49900  -2.13700  1.000 49.59318  ? 348 PRO A N    1 
ATOM   375  C  CA   . PRO A 1 29  ? -27.47600 0.51600   -2.00900  1.000 47.65911  ? 348 PRO A CA   1 
ATOM   376  C  C    . PRO A 1 29  ? -26.08700 -0.06800  -2.22600  1.000 47.04423  ? 348 PRO A C    1 
ATOM   377  O  O    . PRO A 1 29  ? -25.92000 -1.28200  -2.24400  1.000 59.22732  ? 348 PRO A O    1 
ATOM   378  C  CB   . PRO A 1 29  ? -27.67200 1.02000   -0.57600  1.000 62.89427  ? 348 PRO A CB   1 
ATOM   379  C  CG   . PRO A 1 29  ? -28.12500 -0.20800  0.16400   1.000 53.84582  ? 348 PRO A CG   1 
ATOM   380  C  CD   . PRO A 1 29  ? -29.00000 -0.96000  -0.81600  1.000 43.09862  ? 348 PRO A CD   1 
ATOM   381  H  HA   . PRO A 1 29  ? -27.53900 1.21900   -2.67400  1.000 56.96598  ? 348 PRO A HA   1 
ATOM   382  H  HB2  . PRO A 1 29  ? -26.84900 1.37700   -0.20700  1.000 75.52169  ? 348 PRO A HB2  1 
ATOM   383  H  HB3  . PRO A 1 29  ? -28.33300 1.72800   -0.53300  1.000 75.52169  ? 348 PRO A HB3  1 
ATOM   384  H  HG2  . PRO A 1 29  ? -27.36900 -0.74700  0.44400   1.000 64.66354  ? 348 PRO A HG2  1 
ATOM   385  H  HG3  . PRO A 1 29  ? -28.61800 0.02700   0.96500   1.000 64.66354  ? 348 PRO A HG3  1 
ATOM   386  H  HD2  . PRO A 1 29  ? -28.90000 -1.92000  -0.71800  1.000 51.47555  ? 348 PRO A HD2  1 
ATOM   387  H  HD3  . PRO A 1 29  ? -29.93900 -0.75800  -0.68200  1.000 51.47555  ? 348 PRO A HD3  1 
ATOM   388  N  N    . LYS A 1 30  ? -25.06800 0.77600   -2.40200  1.000 53.44206  ? 349 LYS A N    1 
ATOM   389  C  CA   . LYS A 1 30  ? -23.71100 0.26200   -2.54800  1.000 70.49827  ? 349 LYS A CA   1 
ATOM   390  C  C    . LYS A 1 30  ? -23.18200 -0.26700  -1.22100  1.000 59.63284  ? 349 LYS A C    1 
ATOM   391  O  O    . LYS A 1 30  ? -22.46200 -1.27200  -1.18900  1.000 59.62088  ? 349 LYS A O    1 
ATOM   392  C  CB   . LYS A 1 30  ? -22.79300 1.35000   -3.10700  1.000 81.92007  ? 349 LYS A CB   1 
ATOM   393  C  CG   . LYS A 1 30  ? -22.82600 2.66000   -2.33300  1.000 120.76058 ? 349 LYS A CG   1 
ATOM   394  C  CD   . LYS A 1 30  ? -21.89300 3.69000   -2.95000  1.000 119.63972 ? 349 LYS A CD   1 
ATOM   395  C  CE   . LYS A 1 30  ? -21.93400 5.00300   -2.18300  1.000 112.33498 ? 349 LYS A CE   1 
ATOM   396  N  NZ   . LYS A 1 30  ? -21.50900 4.83300   -0.76600  1.000 104.88471 ? 349 LYS A NZ   1 
ATOM   397  H  H    . LYS A 1 30  ? -25.14100 1.63200   -2.43900  1.000 64.17903  ? 349 LYS A H    1 
ATOM   398  H  HA   . LYS A 1 30  ? -23.72900 -0.47900  -3.17400  1.000 84.64648  ? 349 LYS A HA   1 
ATOM   399  H  HB2  . LYS A 1 30  ? -21.88200 1.01600   -3.11700  1.000 98.35265  ? 349 LYS A HB2  1 
ATOM   400  H  HB3  . LYS A 1 30  ? -23.04100 1.52500   -4.02800  1.000 98.35265  ? 349 LYS A HB3  1 
ATOM   401  H  HG2  . LYS A 1 30  ? -23.73100 3.00800   -2.32000  1.000 144.96125 ? 349 LYS A HG2  1 
ATOM   402  H  HG3  . LYS A 1 30  ? -22.57000 2.50000   -1.41100  1.000 144.96125 ? 349 LYS A HG3  1 
ATOM   403  H  HD2  . LYS A 1 30  ? -20.98600 3.34500   -2.95700  1.000 143.61623 ? 349 LYS A HD2  1 
ATOM   404  H  HD3  . LYS A 1 30  ? -22.14400 3.84500   -3.87400  1.000 143.61623 ? 349 LYS A HD3  1 
ATOM   405  H  HE2  . LYS A 1 30  ? -21.35600 5.64900   -2.61800  1.000 134.85053 ? 349 LYS A HE2  1 
ATOM   406  H  HE3  . LYS A 1 30  ? -22.83400 5.36400   -2.20900  1.000 134.85053 ? 349 LYS A HE3  1 
ATOM   407  H  HZ1  . LYS A 1 30  ? -21.33500 5.63000   -0.41000  1.000 125.91021 ? 349 LYS A HZ1  1 
ATOM   408  H  HZ2  . LYS A 1 30  ? -22.16100 4.43900   -0.30600  1.000 125.91021 ? 349 LYS A HZ2  1 
ATOM   409  H  HZ3  . LYS A 1 30  ? -20.77700 4.32800   -0.73400  1.000 125.91021 ? 349 LYS A HZ3  1 
ATOM   410  N  N    . GLU A 1 31  ? -23.53400 0.39100   -0.11900  1.000 64.17620  ? 350 GLU A N    1 
ATOM   411  C  CA   . GLU A 1 31  ? -23.10400 -0.01200  1.21000   1.000 50.21725  ? 350 GLU A CA   1 
ATOM   412  C  C    . GLU A 1 31  ? -24.29500 0.04900   2.15400   1.000 50.13046  ? 350 GLU A C    1 
ATOM   413  O  O    . GLU A 1 31  ? -25.29100 0.72500   1.88600   1.000 56.32292  ? 350 GLU A O    1 
ATOM   414  C  CB   . GLU A 1 31  ? -21.96800 0.87800   1.73500   1.000 50.86651  ? 350 GLU A CB   1 
ATOM   415  C  CG   . GLU A 1 31  ? -20.70600 0.85200   0.88800   1.000 91.69457  ? 350 GLU A CG   1 
ATOM   416  C  CD   . GLU A 1 31  ? -19.64200 1.80400   1.39800   1.000 109.18782 ? 350 GLU A CD   1 
ATOM   417  O  OE1  . GLU A 1 31  ? -19.91300 2.53100   2.37700   1.000 112.82492 ? 350 GLU A OE1  1 
ATOM   418  O  OE2  . GLU A 1 31  ? -18.53500 1.82600   0.82000   1.000 94.47668  ? 350 GLU A OE2  1 
ATOM   419  H  H    . GLU A 1 31  ? -24.03400 1.09100   -0.12600  1.000 77.06000  ? 350 GLU A H    1 
ATOM   420  H  HA   . GLU A 1 31  ? -22.76100 -0.91800  1.16100   1.000 60.30925  ? 350 GLU A HA   1 
ATOM   421  H  HB2  . GLU A 1 31  ? -22.28800 1.79200   1.79100   1.000 61.08837  ? 350 GLU A HB2  1 
ATOM   422  H  HB3  . GLU A 1 31  ? -21.74500 0.60000   2.63700   1.000 61.08837  ? 350 GLU A HB3  1 
ATOM   423  H  HG2  . GLU A 1 31  ? -20.34900 -0.05000  0.87400   1.000 110.08204 ? 350 GLU A HG2  1 
ATOM   424  H  HG3  . GLU A 1 31  ? -20.93000 1.08300   -0.02700  1.000 110.08204 ? 350 GLU A HG3  1 
ATOM   425  N  N    . TYR A 1 32  ? -24.18100 -0.66800  3.26900   1.000 54.96768  ? 351 TYR A N    1 
ATOM   426  C  CA   . TYR A 1 32  ? -25.21200 -0.63400  4.29500   1.000 36.50807  ? 351 TYR A CA   1 
ATOM   427  C  C    . TYR A 1 32  ? -24.58600 -1.02200  5.62400   1.000 46.07396  ? 351 TYR A C    1 
ATOM   428  O  O    . TYR A 1 32  ? -23.53300 -1.66400  5.67200   1.000 45.66942  ? 351 TYR A O    1 
ATOM   429  C  CB   . TYR A 1 32  ? -26.38700 -1.55700  3.95000   1.000 56.74222  ? 351 TYR A CB   1 
ATOM   430  C  CG   . TYR A 1 32  ? -26.24200 -2.97700  4.44800   1.000 33.61451  ? 351 TYR A CG   1 
ATOM   431  C  CD1  . TYR A 1 32  ? -25.40100 -3.87800  3.80900   1.000 36.00851  ? 351 TYR A CD1  1 
ATOM   432  C  CD2  . TYR A 1 32  ? -26.96200 -3.42200  5.55000   1.000 34.31231  ? 351 TYR A CD2  1 
ATOM   433  C  CE1  . TYR A 1 32  ? -25.27200 -5.17900  4.26000   1.000 49.01507  ? 351 TYR A CE1  1 
ATOM   434  C  CE2  . TYR A 1 32  ? -26.84000 -4.72000  6.00800   1.000 41.23744  ? 351 TYR A CE2  1 
ATOM   435  C  CZ   . TYR A 1 32  ? -25.99400 -5.59400  5.35900   1.000 33.62343  ? 351 TYR A CZ   1 
ATOM   436  O  OH   . TYR A 1 32  ? -25.87100 -6.88800  5.81300   1.000 38.50529  ? 351 TYR A OH   1 
ATOM   437  H  H    . TYR A 1 32  ? -23.51400 -1.18000  3.44800   1.000 66.00978  ? 351 TYR A H    1 
ATOM   438  H  HA   . TYR A 1 32  ? -25.57400 0.26400   4.35200   1.000 43.56689  ? 351 TYR A HA   1 
ATOM   439  H  HB2  . TYR A 1 32  ? -27.19900 -1.17900  4.32100   1.000 68.13923  ? 351 TYR A HB2  1 
ATOM   440  H  HB3  . TYR A 1 32  ? -26.49600 -1.57500  2.98600   1.000 68.13923  ? 351 TYR A HB3  1 
ATOM   441  H  HD1  . TYR A 1 32  ? -24.91600 -3.60200  3.06500   1.000 43.25877  ? 351 TYR A HD1  1 
ATOM   442  H  HD2  . TYR A 1 32  ? -27.53600 -2.83600  5.98700   1.000 41.22333  ? 351 TYR A HD2  1 
ATOM   443  H  HE1  . TYR A 1 32  ? -24.70200 -5.77100  3.82500   1.000 58.86664  ? 351 TYR A HE1  1 
ATOM   444  H  HE2  . TYR A 1 32  ? -27.32500 -5.00200  6.74900   1.000 49.53349  ? 351 TYR A HE2  1 
ATOM   445  H  HH   . TYR A 1 32  ? -26.61800 -7.16300  6.08200   1.000 46.25491  ? 351 TYR A HH   1 
ATOM   446  N  N    . GLU A 1 33  ? -25.24700 -0.61500  6.70500   1.000 54.99348  ? 352 GLU A N    1 
ATOM   447  C  CA   . GLU A 1 33  ? -24.76100 -0.86600  8.05700   1.000 34.81788  ? 352 GLU A CA   1 
ATOM   448  C  C    . GLU A 1 33  ? -25.32300 -2.19700  8.54200   1.000 63.89671  ? 352 GLU A C    1 
ATOM   449  O  O    . GLU A 1 33  ? -26.52200 -2.31100  8.81500   1.000 55.62475  ? 352 GLU A O    1 
ATOM   450  C  CB   . GLU A 1 33  ? -25.16000 0.27300   8.99100   1.000 38.23468  ? 352 GLU A CB   1 
ATOM   451  C  CG   . GLU A 1 33  ? -24.64200 0.11700   10.40800  1.000 57.43730  ? 352 GLU A CG   1 
ATOM   452  C  CD   . GLU A 1 33  ? -23.13600 0.24700   10.49600  1.000 49.35857  ? 352 GLU A CD   1 
ATOM   453  O  OE1  . GLU A 1 33  ? -22.56000 1.03300   9.71700   1.000 70.92658  ? 352 GLU A OE1  1 
ATOM   454  O  OE2  . GLU A 1 33  ? -22.52700 -0.44100  11.34200  1.000 68.75129  ? 352 GLU A OE2  1 
ATOM   455  H  H    . GLU A 1 33  ? -25.99100 -0.18500  6.67400   1.000 66.04074  ? 352 GLU A H    1 
ATOM   456  H  HA   . GLU A 1 33  ? -23.79200 -0.91100  8.05400   1.000 41.53866  ? 352 GLU A HA   1 
ATOM   457  H  HB2  . GLU A 1 33  ? -24.83100 1.10900   8.62600   1.000 45.93018  ? 352 GLU A HB2  1 
ATOM   458  H  HB3  . GLU A 1 33  ? -26.12800 0.33600   9.01500   1.000 45.93018  ? 352 GLU A HB3  1 
ATOM   459  H  HG2  . GLU A 1 33  ? -25.05500 0.78700   10.97500  1.000 68.97332  ? 352 GLU A HG2  1 
ATOM   460  H  HG3  . GLU A 1 33  ? -24.90900 -0.75000  10.75300  1.000 68.97332  ? 352 GLU A HG3  1 
ATOM   461  N  N    . ALA A 1 34  ? -24.45600 -3.20300  8.65100   1.000 30.49782  ? 353 ALA A N    1 
ATOM   462  C  CA   . ALA A 1 34  ? -24.86200 -4.51900  9.12100   1.000 30.25694  ? 353 ALA A CA   1 
ATOM   463  C  C    . ALA A 1 34  ? -24.57800 -4.74700  10.59700  1.000 29.11060  ? 353 ALA A C    1 
ATOM   464  O  O    . ALA A 1 34  ? -25.16800 -5.65800  11.18800  1.000 48.25258  ? 353 ALA A O    1 
ATOM   465  C  CB   . ALA A 1 34  ? -24.16200 -5.61500  8.30800   1.000 27.90813  ? 353 ALA A CB   1 
ATOM   466  H  H    . ALA A 1 34  ? -23.62100 -3.13900  8.45500   1.000 36.35459  ? 353 ALA A H    1 
ATOM   467  H  HA   . ALA A 1 34  ? -25.82300 -4.56000  8.99800   1.000 36.35688  ? 353 ALA A HA   1 
ATOM   468  H  HB1  . ALA A 1 34  ? -24.44100 -6.48600  8.63100   1.000 33.53832  ? 353 ALA A HB1  1 
ATOM   469  H  HB2  . ALA A 1 34  ? -24.40100 -5.52600  7.37200   1.000 33.53832  ? 353 ALA A HB2  1 
ATOM   470  H  HB3  . ALA A 1 34  ? -23.20100 -5.52700  8.40600   1.000 33.53832  ? 353 ALA A HB3  1 
ATOM   471  N  N    . TYR A 1 35  ? -23.68600 -3.95300  11.19300  1.000 30.52891  ? 354 TYR A N    1 
ATOM   472  C  CA   . TYR A 1 35  ? -23.23500 -4.13400  12.57000  1.000 34.94294  ? 354 TYR A CA   1 
ATOM   473  C  C    . TYR A 1 35  ? -22.58400 -5.49800  12.77200  1.000 30.32588  ? 354 TYR A C    1 
ATOM   474  O  O    . TYR A 1 35  ? -22.55100 -6.32900  11.85800  1.000 29.50238  ? 354 TYR A O    1 
ATOM   475  C  CB   . TYR A 1 35  ? -24.39300 -3.95200  13.55700  1.000 32.07357  ? 354 TYR A CB   1 
ATOM   476  C  CG   . TYR A 1 35  ? -25.07400 -2.60400  13.47500  1.000 36.33673  ? 354 TYR A CG   1 
ATOM   477  C  CD1  . TYR A 1 35  ? -24.49600 -1.47600  14.04300  1.000 37.65984  ? 354 TYR A CD1  1 
ATOM   478  C  CD2  . TYR A 1 35  ? -26.30000 -2.46200  12.83900  1.000 42.37490  ? 354 TYR A CD2  1 
ATOM   479  C  CE1  . TYR A 1 35  ? -25.11700 -0.24300  13.97100  1.000 44.34349  ? 354 TYR A CE1  1 
ATOM   480  C  CE2  . TYR A 1 35  ? -26.92900 -1.23400  12.76400  1.000 36.17770  ? 354 TYR A CE2  1 
ATOM   481  C  CZ   . TYR A 1 35  ? -26.33400 -0.12800  13.33300  1.000 39.62529  ? 354 TYR A CZ   1 
ATOM   482  O  OH   . TYR A 1 35  ? -26.95600 1.09700   13.25900  1.000 51.64594  ? 354 TYR A OH   1 
ATOM   483  H  H    . TYR A 1 35  ? -23.32100 -3.28200  10.79800  1.000 36.39190  ? 354 TYR A H    1 
ATOM   484  H  HA   . TYR A 1 35  ? -22.56800 -3.45200  12.74400  1.000 41.98009  ? 354 TYR A HA   1 
ATOM   485  H  HB2  . TYR A 1 35  ? -25.05200 -4.64600  13.39800  1.000 38.28359  ? 354 TYR A HB2  1 
ATOM   486  H  HB3  . TYR A 1 35  ? -24.05900 -4.08000  14.45900  1.000 38.28359  ? 354 TYR A HB3  1 
ATOM   487  H  HD1  . TYR A 1 35  ? -23.67800 -1.55100  14.47900  1.000 44.94901  ? 354 TYR A HD1  1 
ATOM   488  H  HD2  . TYR A 1 35  ? -26.70500 -3.20700  12.45700  1.000 50.89844  ? 354 TYR A HD2  1 
ATOM   489  H  HE1  . TYR A 1 35  ? -24.71600 0.50500   14.35100  1.000 53.26074  ? 354 TYR A HE1  1 
ATOM   490  H  HE2  . TYR A 1 35  ? -27.74900 -1.15400  12.33200  1.000 43.17045  ? 354 TYR A HE2  1 
ATOM   491  H  HH   . TYR A 1 35  ? -27.64000 1.03500   12.77600  1.000 62.02368  ? 354 TYR A HH   1 
ATOM   492  N  N    . GLU A 1 36  ? -22.05000 -5.73100  13.96700  1.000 46.96403  ? 355 GLU A N    1 
ATOM   493  C  CA   . GLU A 1 36  ? -21.46800 -7.01900  14.30700  1.000 37.77526  ? 355 GLU A CA   1 
ATOM   494  C  C    . GLU A 1 36  ? -21.41900 -7.13600  15.82100  1.000 35.37791  ? 355 GLU A C    1 
ATOM   495  O  O    . GLU A 1 36  ? -21.33800 -6.13000  16.53100  1.000 60.16307  ? 355 GLU A O    1 
ATOM   496  C  CB   . GLU A 1 36  ? -20.06500 -7.18900  13.71200  1.000 43.81211  ? 355 GLU A CB   1 
ATOM   497  C  CG   . GLU A 1 36  ? -19.06000 -6.15600  14.18700  1.000 52.14876  ? 355 GLU A CG   1 
ATOM   498  C  CD   . GLU A 1 36  ? -17.63900 -6.50000  13.78800  1.000 56.81800  ? 355 GLU A CD   1 
ATOM   499  O  OE1  . GLU A 1 36  ? -17.42100 -7.61300  13.26700  1.000 82.47715  ? 355 GLU A OE1  1 
ATOM   500  O  OE2  . GLU A 1 36  ? -16.74100 -5.65700  13.99600  1.000 70.20768  ? 355 GLU A OE2  1 
ATOM   501  H  H    . GLU A 1 36  ? -22.01600 -5.14900  14.59900  1.000 56.40540  ? 355 GLU A H    1 
ATOM   502  H  HA   . GLU A 1 36  ? -22.01900 -7.72200  13.93000  1.000 45.37887  ? 355 GLU A HA   1 
ATOM   503  H  HB2  . GLU A 1 36  ? -19.73500 -8.07300  13.93500  1.000 52.62309  ? 355 GLU A HB2  1 
ATOM   504  H  HB3  . GLU A 1 36  ? -20.12700 -7.14500  12.74500  1.000 52.62309  ? 355 GLU A HB3  1 
ATOM   505  H  HG2  . GLU A 1 36  ? -19.29400 -5.28900  13.82100  1.000 62.62707  ? 355 GLU A HG2  1 
ATOM   506  H  HG3  . GLU A 1 36  ? -19.11200 -6.07900  15.15300  1.000 62.62707  ? 355 GLU A HG3  1 
ATOM   507  N  N    . CYS A 1 37  ? -21.47500 -8.37100  16.30400  1.000 49.25374  ? 356 CYS A N    1 
ATOM   508  C  CA   . CYS A 1 37  ? -21.42200 -8.65500  17.73000  1.000 49.50934  ? 356 CYS A CA   1 
ATOM   509  C  C    . CYS A 1 37  ? -19.98900 -8.99300  18.11200  1.000 37.17740  ? 356 CYS A C    1 
ATOM   510  O  O    . CYS A 1 37  ? -19.41300 -9.95700  17.59500  1.000 61.37852  ? 356 CYS A O    1 
ATOM   511  C  CB   . CYS A 1 37  ? -22.37100 -9.79300  18.09400  1.000 37.39692  ? 356 CYS A CB   1 
ATOM   512  S  SG   . CYS A 1 37  ? -24.10400 -9.37500  17.82100  1.000 67.81475  ? 356 CYS A SG   1 
ATOM   513  H  H    . CYS A 1 37  ? -21.54500 -9.07100  15.81000  1.000 59.15304  ? 356 CYS A H    1 
ATOM   514  H  HA   . CYS A 1 37  ? -21.70900 -7.87300  18.22600  1.000 59.45977  ? 356 CYS A HA   1 
ATOM   515  H  HB2  . CYS A 1 37  ? -22.14500 -10.57700 17.56900  1.000 44.92487  ? 356 CYS A HB2  1 
ATOM   516  H  HB3  . CYS A 1 37  ? -22.24300 -10.02900 19.02600  1.000 44.92487  ? 356 CYS A HB3  1 
ATOM   517  N  N    . LYS A 1 38  ? -19.41900 -8.19900  19.01200  1.000 55.79743  ? 357 LYS A N    1 
ATOM   518  C  CA   . LYS A 1 38  ? -18.02600 -8.32900  19.40400  1.000 53.44746  ? 357 LYS A CA   1 
ATOM   519  C  C    . LYS A 1 38  ? -17.92800 -8.33300  20.92800  1.000 63.28574  ? 357 LYS A C    1 
ATOM   520  O  O    . LYS A 1 38  ? -18.79500 -7.80300  21.63300  1.000 61.51431  ? 357 LYS A O    1 
ATOM   521  C  CB   . LYS A 1 38  ? -17.18200 -7.18900  18.80200  1.000 64.09527  ? 357 LYS A CB   1 
ATOM   522  C  CG   . LYS A 1 38  ? -15.74100 -7.52800  18.41900  1.000 76.33032  ? 357 LYS A CG   1 
ATOM   523  C  CD   . LYS A 1 38  ? -15.10500 -6.35200  17.63900  1.000 85.43995  ? 357 LYS A CD   1 
ATOM   524  C  CE   . LYS A 1 38  ? -13.65200 -6.64200  17.21100  1.000 108.39389 ? 357 LYS A CE   1 
ATOM   525  N  NZ   . LYS A 1 38  ? -13.23300 -6.03300  15.89500  1.000 89.50400  ? 357 LYS A NZ   1 
ATOM   526  H  H    . LYS A 1 38  ? -19.83600 -7.56400  19.41500  1.000 67.00547  ? 357 LYS A H    1 
ATOM   527  H  HA   . LYS A 1 38  ? -17.67500 -9.16600  19.06200  1.000 64.18551  ? 357 LYS A HA   1 
ATOM   528  H  HB2  . LYS A 1 38  ? -17.63700 -6.86200  18.01000  1.000 76.96288  ? 357 LYS A HB2  1 
ATOM   529  H  HB3  . LYS A 1 38  ? -17.16200 -6.45800  19.44000  1.000 76.96288  ? 357 LYS A HB3  1 
ATOM   530  H  HG2  . LYS A 1 38  ? -15.22200 -7.71400  19.21700  1.000 91.64494  ? 357 LYS A HG2  1 
ATOM   531  H  HG3  . LYS A 1 38  ? -15.72400 -8.33200  17.87600  1.000 91.64494  ? 357 LYS A HG3  1 
ATOM   532  H  HD2  . LYS A 1 38  ? -15.63900 -6.16400  16.85200  1.000 102.57650 ? 357 LYS A HD2  1 
ATOM   533  H  HD3  . LYS A 1 38  ? -15.12300 -5.55500  18.19100  1.000 102.57650 ? 357 LYS A HD3  1 
ATOM   534  H  HE2  . LYS A 1 38  ? -13.05600 -6.31900  17.90400  1.000 130.12122 ? 357 LYS A HE2  1 
ATOM   535  H  HE3  . LYS A 1 38  ? -13.53200 -7.60300  17.15900  1.000 130.12122 ? 357 LYS A HE3  1 
ATOM   536  H  HZ1  . LYS A 1 38  ? -12.64900 -6.57000  15.49200  1.000 107.45336 ? 357 LYS A HZ1  1 
ATOM   537  H  HZ2  . LYS A 1 38  ? -13.94800 -5.92800  15.37500  1.000 107.45336 ? 357 LYS A HZ2  1 
ATOM   538  H  HZ3  . LYS A 1 38  ? -12.85500 -5.24100  16.04100  1.000 107.45336 ? 357 LYS A HZ3  1 
ATOM   539  N  N    . GLY A 1 39  ? -16.92400 -9.01400  21.45500  1.000 59.67006  ? 358 GLY A N    1 
ATOM   540  C  CA   . GLY A 1 39  ? -16.77500 -8.95600  22.91200  1.000 54.02463  ? 358 GLY A CA   1 
ATOM   541  C  C    . GLY A 1 39  ? -16.66300 -10.31400 23.55800  1.000 50.49023  ? 358 GLY A C    1 
ATOM   542  O  O    . GLY A 1 39  ? -17.02800 -11.30800 22.92300  1.000 58.12423  ? 358 GLY A O    1 
ATOM   543  H  H    . GLY A 1 39  ? -16.34900 -9.48800  21.02700  1.000 71.65263  ? 358 GLY A H    1 
ATOM   544  H  HA2  . GLY A 1 39  ? -15.98500 -8.43600  23.12900  1.000 64.58676  ? 358 GLY A HA2  1 
ATOM   545  H  HA3  . GLY A 1 39  ? -17.53600 -8.48800  23.29000  1.000 64.58676  ? 358 GLY A HA3  1 
ATOM   546  N  N    . GLY A 1 40  ? -16.18100 -10.33200 24.79700  1.000 85.81176  ? 359 GLY A N    1 
ATOM   547  C  CA   . GLY A 1 40  ? -15.97700 -11.60000 25.51000  1.000 91.23599  ? 359 GLY A CA   1 
ATOM   548  C  C    . GLY A 1 40  ? -17.23600 -12.04800 26.20600  1.000 56.85935  ? 359 GLY A C    1 
ATOM   549  O  O    . GLY A 1 40  ? -18.08500 -11.19900 26.49200  1.000 80.47394  ? 359 GLY A O    1 
ATOM   550  H  H    . GLY A 1 40  ? -15.96600 -9.62900  25.24400  1.000 103.02267 ? 359 GLY A H    1 
ATOM   551  H  HA2  . GLY A 1 40  ? -15.69100 -12.28300 24.88300  1.000 109.53175 ? 359 GLY A HA2  1 
ATOM   552  H  HA3  . GLY A 1 40  ? -15.26500 -11.49600 26.16100  1.000 109.53175 ? 359 GLY A HA3  1 
ATOM   553  N  N    . CYS A 1 41  ? -17.33400 -13.34600 26.46500  1.000 62.39077  ? 360 CYS A N    1 
ATOM   554  C  CA   . CYS A 1 41  ? -18.54800 -13.89700 27.11000  1.000 51.47434  ? 360 CYS A CA   1 
ATOM   555  C  C    . CYS A 1 41  ? -18.15600 -14.41400 28.49000  1.000 58.24530  ? 360 CYS A C    1 
ATOM   556  O  O    . CYS A 1 41  ? -18.99200 -15.09500 29.10800  1.000 92.27555  ? 360 CYS A O    1 
ATOM   557  C  CB   . CYS A 1 41  ? -19.13600 -14.98400 26.22500  1.000 55.42309  ? 360 CYS A CB   1 
ATOM   558  S  SG   . CYS A 1 41  ? -20.17300 -14.30700 24.91000  1.000 68.82587  ? 360 CYS A SG   1 
ATOM   559  H  H    . CYS A 1 41  ? -16.72600 -13.92600 26.28300  1.000 74.91749  ? 360 CYS A H    1 
ATOM   560  H  HA   . CYS A 1 41  ? -19.23300 -13.22000 27.22200  1.000 61.81776  ? 360 CYS A HA   1 
ATOM   561  H  HB2  . CYS A 1 41  ? -18.41700 -15.50300 25.83300  1.000 66.55626  ? 360 CYS A HB2  1 
ATOM   562  H  HB3  . CYS A 1 41  ? -19.66100 -15.59200 26.76800  1.000 66.55626  ? 360 CYS A HB3  1 
ATOM   563  N  N    . PHE A 1 42  ? -16.99700 -13.99600 28.99300  1.000 48.96258  ? 361 PHE A N    1 
ATOM   564  C  CA   . PHE A 1 42  ? -16.46300 -14.48800 30.28500  1.000 59.48783  ? 361 PHE A CA   1 
ATOM   565  C  C    . PHE A 1 42  ? -17.15900 -13.86000 31.49200  1.000 53.68753  ? 361 PHE A C    1 
ATOM   566  O  O    . PHE A 1 42  ? -17.93500 -12.91700 31.32500  1.000 54.39496  ? 361 PHE A O    1 
ATOM   567  C  CB   . PHE A 1 42  ? -14.96600 -14.18600 30.33700  1.000 76.85743  ? 361 PHE A CB   1 
ATOM   568  C  CG   . PHE A 1 42  ? -14.64100 -12.73000 30.13500  1.000 69.36036  ? 361 PHE A CG   1 
ATOM   569  C  CD1  . PHE A 1 42  ? -14.69100 -11.84500 31.20700  1.000 77.80678  ? 361 PHE A CD1  1 
ATOM   570  C  CD2  . PHE A 1 42  ? -14.29100 -12.25400 28.87500  1.000 69.68194  ? 361 PHE A CD2  1 
ATOM   571  C  CE1  . PHE A 1 42  ? -14.42300 -10.50100 31.00500  1.000 82.26398  ? 361 PHE A CE1  1 
ATOM   572  C  CE2  . PHE A 1 42  ? -14.03100 -10.90700 28.68700  1.000 61.31667  ? 361 PHE A CE2  1 
ATOM   573  C  CZ   . PHE A 1 42  ? -14.10000 -10.03700 29.74900  1.000 78.86724  ? 361 PHE A CZ   1 
ATOM   574  H  H    . PHE A 1 42  ? -16.49100 -13.42000 28.60300  1.000 58.80365  ? 361 PHE A H    1 
ATOM   575  H  HA   . PHE A 1 42  ? -16.62900 -15.44200 30.33400  1.000 71.43396  ? 361 PHE A HA   1 
ATOM   576  H  HB2  . PHE A 1 42  ? -14.61500 -14.47300 31.19500  1.000 92.27748  ? 361 PHE A HB2  1 
ATOM   577  H  HB3  . PHE A 1 42  ? -14.51400 -14.70900 29.65600  1.000 92.27748  ? 361 PHE A HB3  1 
ATOM   578  H  HD1  . PHE A 1 42  ? -14.90400 -12.15500 32.05800  1.000 93.41669  ? 361 PHE A HD1  1 
ATOM   579  H  HD2  . PHE A 1 42  ? -14.23200 -12.84200 28.15700  1.000 83.66689  ? 361 PHE A HD2  1 
ATOM   580  H  HE1  . PHE A 1 42  ? -14.46100 -9.90900  31.72100  1.000 98.76534  ? 361 PHE A HE1  1 
ATOM   581  H  HE2  . PHE A 1 42  ? -13.80900 -10.59000 27.84100  1.000 73.62857  ? 361 PHE A HE2  1 
ATOM   582  H  HZ   . PHE A 1 42  ? -13.92800 -9.13200  29.61900  1.000 94.68924  ? 361 PHE A HZ   1 
ATOM   583  N  N    . PHE A 1 43  ? -16.84300 -14.37300 32.67900  1.000 48.64030  ? 362 PHE A N    1 
ATOM   584  C  CA   . PHE A 1 43  ? -17.45000 -13.87300 33.93500  1.000 50.98788  ? 362 PHE A CA   1 
ATOM   585  C  C    . PHE A 1 43  ? -16.53100 -12.84300 34.57800  1.000 54.89866  ? 362 PHE A C    1 
ATOM   586  O  O    . PHE A 1 43  ? -15.30800 -13.04900 34.54300  1.000 55.37363  ? 362 PHE A O    1 
ATOM   587  C  CB   . PHE A 1 43  ? -17.65300 -15.01300 34.93100  1.000 49.92605  ? 362 PHE A CB   1 
ATOM   588  C  CG   . PHE A 1 43  ? -18.58600 -16.09600 34.47100  1.000 46.56289  ? 362 PHE A CG   1 
ATOM   589  C  CD1  . PHE A 1 43  ? -19.94600 -15.88600 34.44500  1.000 46.27816  ? 362 PHE A CD1  1 
ATOM   590  C  CD2  . PHE A 1 43  ? -18.10600 -17.32800 34.08300  1.000 44.13751  ? 362 PHE A CD2  1 
ATOM   591  C  CE1  . PHE A 1 43  ? -20.81300 -16.87500 34.01900  1.000 43.46311  ? 362 PHE A CE1  1 
ATOM   592  C  CE2  . PHE A 1 43  ? -18.97100 -18.31700 33.64600  1.000 41.38359  ? 362 PHE A CE2  1 
ATOM   593  C  CZ   . PHE A 1 43  ? -20.32300 -18.08500 33.60800  1.000 40.96817  ? 362 PHE A CZ   1 
ATOM   594  H  H    . PHE A 1 43  ? -16.27900 -15.01300 32.78900  1.000 58.12557  ? 362 PHE A H    1 
ATOM   595  H  HA   . PHE A 1 43  ? -18.30700 -13.47600 33.71400  1.000 60.94267  ? 362 PHE A HA   1 
ATOM   596  H  HB2  . PHE A 1 43  ? -16.79000 -15.41000 35.12900  1.000 59.66847  ? 362 PHE A HB2  1 
ATOM   597  H  HB3  . PHE A 1 43  ? -17.99200 -14.64300 35.76100  1.000 59.66847  ? 362 PHE A HB3  1 
ATOM   598  H  HD1  . PHE A 1 43  ? -20.28700 -15.06500 34.71900  1.000 55.29101  ? 362 PHE A HD1  1 
ATOM   599  H  HD2  . PHE A 1 43  ? -17.19200 -17.49700 34.11500  1.000 52.72222  ? 362 PHE A HD2  1 
ATOM   600  H  HE1  . PHE A 1 43  ? -21.73000 -16.71800 34.01200  1.000 51.92612  ? 362 PHE A HE1  1 
ATOM   601  H  HE2  . PHE A 1 43  ? -18.63500 -19.14100 33.37700  1.000 49.57273  ? 362 PHE A HE2  1 
ATOM   602  H  HZ   . PHE A 1 43  ? -20.90300 -18.74600 33.30500  1.000 49.04538  ? 362 PHE A HZ   1 
ATOM   603  N  N    . PRO A 1 44  ? -17.08700 -11.77000 35.17800  1.000 58.05300  ? 363 PRO A N    1 
ATOM   604  C  CA   . PRO A 1 44  ? -18.50200 -11.69300 35.49500  1.000 58.05244  ? 363 PRO A CA   1 
ATOM   605  C  C    . PRO A 1 44  ? -19.34000 -11.28100 34.28200  1.000 56.97225  ? 363 PRO A C    1 
ATOM   606  O  O    . PRO A 1 44  ? -18.93100 -10.43700 33.53000  1.000 58.33959  ? 363 PRO A O    1 
ATOM   607  C  CB   . PRO A 1 44  ? -18.55600 -10.61000 36.57400  1.000 62.74569  ? 363 PRO A CB   1 
ATOM   608  C  CG   . PRO A 1 44  ? -17.43700 -9.66900  36.23000  1.000 65.28524  ? 363 PRO A CG   1 
ATOM   609  C  CD   . PRO A 1 44  ? -16.38100 -10.54500 35.59600  1.000 62.36576  ? 363 PRO A CD   1 
ATOM   610  H  HA   . PRO A 1 44  ? -18.86400 -12.54700 35.77700  1.000 69.42013  ? 363 PRO A HA   1 
ATOM   611  H  HB2  . PRO A 1 44  ? -19.41200 -10.15400 36.57300  1.000 75.05204  ? 363 PRO A HB2  1 
ATOM   612  H  HB3  . PRO A 1 44  ? -18.43800 -10.98900 37.45900  1.000 75.05204  ? 363 PRO A HB3  1 
ATOM   613  H  HG2  . PRO A 1 44  ? -17.73400 -8.97700  35.61900  1.000 78.09949  ? 363 PRO A HG2  1 
ATOM   614  H  HG3  . PRO A 1 44  ? -17.09600 -9.22200  37.02100  1.000 78.09949  ? 363 PRO A HG3  1 
ATOM   615  H  HD2  . PRO A 1 44  ? -15.96900 -10.10300 34.83700  1.000 74.59612  ? 363 PRO A HD2  1 
ATOM   616  H  HD3  . PRO A 1 44  ? -15.67100 -10.74800 36.22500  1.000 74.59612  ? 363 PRO A HD3  1 
ATOM   617  N  N    . LEU A 1 45  ? -20.50500 -11.89900 34.13400  1.000 76.97632  ? 364 LEU A N    1 
ATOM   618  C  CA   . LEU A 1 45  ? -21.36500 -11.60000 32.96300  1.000 56.84116  ? 364 LEU A CA   1 
ATOM   619  C  C    . LEU A 1 45  ? -22.10200 -10.27600 33.17800  1.000 66.14383  ? 364 LEU A C    1 
ATOM   620  O  O    . LEU A 1 45  ? -21.91000 -9.64000  34.22600  1.000 86.01025  ? 364 LEU A O    1 
ATOM   621  C  CB   . LEU A 1 45  ? -22.35500 -12.74400 32.73800  1.000 53.91040  ? 364 LEU A CB   1 
ATOM   622  C  CG   . LEU A 1 45  ? -21.77900 -13.91700 31.95100  1.000 54.22933  ? 364 LEU A CG   1 
ATOM   623  C  CD1  . LEU A 1 45  ? -22.76500 -15.06800 31.89400  1.000 79.63961  ? 364 LEU A CD1  1 
ATOM   624  C  CD2  . LEU A 1 45  ? -21.39500 -13.47500 30.55100  1.000 71.85684  ? 364 LEU A CD2  1 
ATOM   625  H  H    . LEU A 1 45  ? -20.82200 -12.48400 34.67900  1.000 92.42014  ? 364 LEU A H    1 
ATOM   626  H  HA   . LEU A 1 45  ? -20.81000 -11.51500 32.17200  1.000 68.25795  ? 364 LEU A HA   1 
ATOM   627  H  HB2  . LEU A 1 45  ? -22.66500 -13.06500 33.59900  1.000 64.74104  ? 364 LEU A HB2  1 
ATOM   628  H  HB3  . LEU A 1 45  ? -23.13100 -12.40000 32.26800  1.000 64.74104  ? 364 LEU A HB3  1 
ATOM   629  H  HG   . LEU A 1 45  ? -20.98200 -14.22700 32.40800  1.000 65.12375  ? 364 LEU A HG   1 
ATOM   630  H  HD11 . LEU A 1 45  ? -22.37800 -15.80100 31.39000  1.000 95.61609  ? 364 LEU A HD11 1 
ATOM   631  H  HD12 . LEU A 1 45  ? -22.96700 -15.36600 32.79500  1.000 95.61609  ? 364 LEU A HD12 1 
ATOM   632  H  HD13 . LEU A 1 45  ? -23.58200 -14.77400 31.46100  1.000 95.61609  ? 364 LEU A HD13 1 
ATOM   633  H  HD21 . LEU A 1 45  ? -21.03100 -14.22900 30.06200  1.000 86.27676  ? 364 LEU A HD21 1 
ATOM   634  H  HD22 . LEU A 1 45  ? -22.18000 -13.14000 30.09000  1.000 86.27676  ? 364 LEU A HD22 1 
ATOM   635  H  HD23 . LEU A 1 45  ? -20.72800 -12.77200 30.60500  1.000 86.27676  ? 364 LEU A HD23 1 
ATOM   636  N  N    . ALA A 1 46  ? -22.90200 -9.87100  32.19800  1.000 93.69810  ? 365 ALA A N    1 
ATOM   637  C  CA   . ALA A 1 46  ? -23.65600 -8.61100  32.36500  1.000 103.48510 ? 365 ALA A CA   1 
ATOM   638  C  C    . ALA A 1 46  ? -25.14300 -8.82400  32.11100  1.000 103.79100 ? 365 ALA A C    1 
ATOM   639  O  O    . ALA A 1 46  ? -25.53300 -9.92500  31.68500  1.000 89.93581  ? 365 ALA A O    1 
ATOM   640  C  CB   . ALA A 1 46  ? -23.12600 -7.56800  31.44800  1.000 85.83129  ? 365 ALA A CB   1 
ATOM   641  H  H    . ALA A 1 46  ? -23.02600 -10.28400 31.45400  1.000 112.48628 ? 365 ALA A H    1 
ATOM   642  H  HA   . ALA A 1 46  ? -23.54400 -8.31400  33.28200  1.000 124.23068 ? 365 ALA A HA   1 
ATOM   643  H  HB1  . ALA A 1 46  ? -23.62800 -6.74700  31.56700  1.000 103.04611 ? 365 ALA A HB1  1 
ATOM   644  H  HB2  . ALA A 1 46  ? -22.19100 -7.40600  31.64800  1.000 103.04611 ? 365 ALA A HB2  1 
ATOM   645  H  HB3  . ALA A 1 46  ? -23.21300 -7.87000  30.53000  1.000 103.04611 ? 365 ALA A HB3  1 
ATOM   646  N  N    . ASP A 1 47  ? -25.92700 -7.77600  32.33100  1.000 133.43402 ? 366 ASP A N    1 
ATOM   647  C  CA   . ASP A 1 47  ? -27.39800 -7.93100  32.22900  1.000 155.57924 ? 366 ASP A CA   1 
ATOM   648  C  C    . ASP A 1 47  ? -27.82700 -8.12500  30.77600  1.000 143.67756 ? 366 ASP A C    1 
ATOM   649  O  O    . ASP A 1 47  ? -28.60500 -9.05900  30.51500  1.000 116.33977 ? 366 ASP A O    1 
ATOM   650  C  CB   . ASP A 1 47  ? -28.09200 -6.73500  32.88100  1.000 142.30773 ? 366 ASP A CB   1 
ATOM   651  C  CG   . ASP A 1 47  ? -29.55900 -6.97700  33.18700  1.000 160.71218 ? 366 ASP A CG   1 
ATOM   652  O  OD1  . ASP A 1 47  ? -29.98000 -8.15000  33.15200  1.000 153.34431 ? 366 ASP A OD1  1 
ATOM   653  O  OD2  . ASP A 1 47  ? -30.27000 -5.98800  33.45100  1.000 153.52868 ? 366 ASP A OD2  1 
ATOM   654  H  H    . ASP A 1 47  ? -25.65200 -6.98700  32.53400  1.000 160.16938 ? 366 ASP A H    1 
ATOM   655  H  HA   . ASP A 1 47  ? -27.66800 -8.73000  32.70800  1.000 186.74365 ? 366 ASP A HA   1 
ATOM   656  H  HB2  . ASP A 1 47  ? -27.63000 -6.51200  33.70400  1.000 170.81783 ? 366 ASP A HB2  1 
ATOM   657  H  HB3  . ASP A 1 47  ? -28.01400 -5.96600  32.29500  1.000 170.81783 ? 366 ASP A HB3  1 
ATOM   658  N  N    . ASP A 1 48  ? -27.32400 -7.30200  29.86100  1.000 129.40069 ? 367 ASP A N    1 
ATOM   659  C  CA   . ASP A 1 48  ? -27.84900 -7.37100  28.50300  1.000 128.52045 ? 367 ASP A CA   1 
ATOM   660  C  C    . ASP A 1 48  ? -27.16400 -8.44200  27.66400  1.000 125.39414 ? 367 ASP A C    1 
ATOM   661  O  O    . ASP A 1 48  ? -27.47800 -8.57100  26.47500  1.000 113.24995 ? 367 ASP A O    1 
ATOM   662  C  CB   . ASP A 1 48  ? -27.71700 -6.00600  27.80700  1.000 154.63320 ? 367 ASP A CB   1 
ATOM   663  C  CG   . ASP A 1 48  ? -26.27900 -5.67800  27.40400  1.000 155.04506 ? 367 ASP A CG   1 
ATOM   664  O  OD1  . ASP A 1 48  ? -25.35100 -5.98900  28.18600  1.000 136.13195 ? 367 ASP A OD1  1 
ATOM   665  O  OD2  . ASP A 1 48  ? -26.07700 -5.10800  26.30100  1.000 159.00913 ? 367 ASP A OD2  1 
ATOM   666  H  H    . ASP A 1 48  ? -26.70500 -6.72000  29.99600  1.000 155.32939 ? 367 ASP A H    1 
ATOM   667  H  HA   . ASP A 1 48  ? -28.78500 -7.61300  28.57800  1.000 154.27309 ? 367 ASP A HA   1 
ATOM   668  H  HB2  . ASP A 1 48  ? -28.27900 -5.99600  27.01700  1.000 185.60839 ? 367 ASP A HB2  1 
ATOM   669  H  HB3  . ASP A 1 48  ? -28.04800 -5.31300  28.40000  1.000 185.60839 ? 367 ASP A HB3  1 
ATOM   670  N  N    . VAL A 1 49  ? -26.22900 -9.19400  28.25000  1.000 77.68286  ? 368 VAL A N    1 
ATOM   671  C  CA   . VAL A 1 49  ? -25.64700 -10.34400 27.56400  1.000 76.22613  ? 368 VAL A CA   1 
ATOM   672  C  C    . VAL A 1 49  ? -26.72800 -11.36800 27.24300  1.000 65.11307  ? 368 VAL A C    1 
ATOM   673  O  O    . VAL A 1 49  ? -26.72200 -11.99200 26.17600  1.000 66.08084  ? 368 VAL A O    1 
ATOM   674  C  CB   . VAL A 1 49  ? -24.51900 -10.94800 28.42100  1.000 81.79078  ? 368 VAL A CB   1 
ATOM   675  C  CG1  . VAL A 1 49  ? -24.23800 -12.38200 28.01500  1.000 75.83137  ? 368 VAL A CG1  1 
ATOM   676  C  CG2  . VAL A 1 49  ? -23.25900 -10.10200 28.31200  1.000 83.44999  ? 368 VAL A CG2  1 
ATOM   677  H  H    . VAL A 1 49  ? -25.92100 -9.05400  29.04100  1.000 93.26799  ? 368 VAL A H    1 
ATOM   678  H  HA   . VAL A 1 49  ? -25.25900 -10.05800 26.72200  1.000 91.51991  ? 368 VAL A HA   1 
ATOM   679  H  HB   . VAL A 1 49  ? -24.80900 -10.95100 29.34700  1.000 98.19749  ? 368 VAL A HB   1 
ATOM   680  H  HG11 . VAL A 1 49  ? -23.52600 -12.74100 28.56700  1.000 91.04621  ? 368 VAL A HG11 1 
ATOM   681  H  HG12 . VAL A 1 49  ? -25.03900 -12.91500 28.13500  1.000 91.04621  ? 368 VAL A HG12 1 
ATOM   682  H  HG13 . VAL A 1 49  ? -23.96900 -12.40800 27.08300  1.000 91.04621  ? 368 VAL A HG13 1 
ATOM   683  H  HG21 . VAL A 1 49  ? -22.55800 -10.49400 28.85600  1.000 100.18854 ? 368 VAL A HG21 1 
ATOM   684  H  HG22 . VAL A 1 49  ? -22.97000 -10.07000 27.38700  1.000 100.18854 ? 368 VAL A HG22 1 
ATOM   685  H  HG23 . VAL A 1 49  ? -23.44500 -9.20200  28.62400  1.000 100.18854 ? 368 VAL A HG23 1 
ATOM   686  N  N    . THR A 1 50  ? -27.67900 -11.54000 28.15600  1.000 88.39018  ? 369 THR A N    1 
ATOM   687  C  CA   . THR A 1 50  ? -28.83800 -12.41700 28.02500  1.000 72.04239  ? 369 THR A CA   1 
ATOM   688  C  C    . THR A 1 50  ? -28.44900 -13.86900 27.70800  1.000 63.94523  ? 369 THR A C    1 
ATOM   689  O  O    . THR A 1 50  ? -28.97600 -14.46400 26.76900  1.000 70.44815  ? 369 THR A O    1 
ATOM   690  C  CB   . THR A 1 50  ? -29.79100 -11.87800 26.96200  1.000 104.46489 ? 369 THR A CB   1 
ATOM   691  O  OG1  . THR A 1 50  ? -29.26000 -12.07300 25.63200  1.000 97.07516  ? 369 THR A OG1  1 
ATOM   692  C  CG2  . THR A 1 50  ? -30.03900 -10.37000 27.18500  1.000 109.02824 ? 369 THR A CG2  1 
ATOM   693  H  H    . THR A 1 50  ? -27.66400 -11.12600 28.90900  1.000 106.11677 ? 369 THR A H    1 
ATOM   694  H  HA   . THR A 1 50  ? -29.28600 -12.42700 28.88600  1.000 86.49943  ? 369 THR A HA   1 
ATOM   695  H  HB   . THR A 1 50  ? -30.62500 -12.36800 27.04100  1.000 125.40643 ? 369 THR A HB   1 
ATOM   696  H  HG1  . THR A 1 50  ? -28.46000 -12.32500 25.68300  1.000 116.53875 ? 369 THR A HG1  1 
ATOM   697  H  HG21 . THR A 1 50  ? -30.64500 -10.03800 26.50500  1.000 130.88244 ? 369 THR A HG21 1 
ATOM   698  H  HG22 . THR A 1 50  ? -30.43100 -10.23200 28.06200  1.000 130.88244 ? 369 THR A HG22 1 
ATOM   699  H  HG23 . THR A 1 50  ? -29.19700 -9.89200  27.12900  1.000 130.88244 ? 369 THR A HG23 1 
ATOM   700  N  N    . PRO A 1 51  ? -27.54800 -14.47100 28.48700  1.000 46.90449  ? 370 PRO A N    1 
ATOM   701  C  CA   . PRO A 1 51  ? -27.01300 -15.77600 28.09600  1.000 50.70513  ? 370 PRO A CA   1 
ATOM   702  C  C    . PRO A 1 51  ? -28.03700 -16.88200 28.26400  1.000 35.99075  ? 370 PRO A C    1 
ATOM   703  O  O    . PRO A 1 51  ? -28.99600 -16.77900 29.02400  1.000 54.16130  ? 370 PRO A O    1 
ATOM   704  C  CB   . PRO A 1 51  ? -25.84000 -15.97700 29.05200  1.000 38.08421  ? 370 PRO A CB   1 
ATOM   705  C  CG   . PRO A 1 51  ? -26.26200 -15.29600 30.24300  1.000 41.31931  ? 370 PRO A CG   1 
ATOM   706  C  CD   . PRO A 1 51  ? -26.98600 -14.05500 29.77800  1.000 43.97692  ? 370 PRO A CD   1 
ATOM   707  H  HA   . PRO A 1 51  ? -26.75900 -15.80500 27.16000  1.000 60.89471  ? 370 PRO A HA   1 
ATOM   708  H  HB2  . PRO A 1 51  ? -25.67100 -16.91800 29.21800  1.000 45.45825  ? 370 PRO A HB2  1 
ATOM   709  H  HB3  . PRO A 1 51  ? -25.02000 -15.60000 28.69600  1.000 45.45825  ? 370 PRO A HB3  1 
ATOM   710  H  HG2  . PRO A 1 51  ? -26.84500 -15.85900 30.77700  1.000 49.34037  ? 370 PRO A HG2  1 
ATOM   711  H  HG3  . PRO A 1 51  ? -25.50200 -15.06600 30.80000  1.000 49.34037  ? 370 PRO A HG3  1 
ATOM   712  H  HD2  . PRO A 1 51  ? -27.67800 -13.78700 30.40200  1.000 52.67027  ? 370 PRO A HD2  1 
ATOM   713  H  HD3  . PRO A 1 51  ? -26.38300 -13.30100 29.68200  1.000 52.67027  ? 370 PRO A HD3  1 
ATOM   714  N  N    . THR A 1 52  ? -27.82700 -17.94800 27.51600  1.000 58.55314  ? 371 THR A N    1 
ATOM   715  C  CA   . THR A 1 52  ? -28.53900 -19.17800 27.76500  1.000 34.50168  ? 371 THR A CA   1 
ATOM   716  C  C    . THR A 1 52  ? -27.83300 -19.93400 28.88600  1.000 31.30135  ? 371 THR A C    1 
ATOM   717  O  O    . THR A 1 52  ? -26.67000 -19.67300 29.21100  1.000 43.71917  ? 371 THR A O    1 
ATOM   718  C  CB   . THR A 1 52  ? -28.57000 -20.02800 26.49700  1.000 34.50456  ? 371 THR A CB   1 
ATOM   719  O  OG1  . THR A 1 52  ? -27.22600 -20.35100 26.10300  1.000 45.37398  ? 371 THR A OG1  1 
ATOM   720  C  CG2  . THR A 1 52  ? -29.26800 -19.26800 25.36700  1.000 36.10963  ? 371 THR A CG2  1 
ATOM   721  H  H    . THR A 1 52  ? -27.27400 -17.97800 26.85800  1.000 70.31232  ? 371 THR A H    1 
ATOM   722  H  HA   . THR A 1 52  ? -29.45200 -18.98300 28.02700  1.000 41.45057  ? 371 THR A HA   1 
ATOM   723  H  HB   . THR A 1 52  ? -29.06200 -20.84500 26.67600  1.000 41.45403  ? 371 THR A HB   1 
ATOM   724  H  HG1  . THR A 1 52  ? -27.22200 -20.60300 25.30200  1.000 54.49734  ? 371 THR A HG1  1 
ATOM   725  H  HG21 . THR A 1 52  ? -29.28200 -19.81700 24.56800  1.000 43.38011  ? 371 THR A HG21 1 
ATOM   726  H  HG22 . THR A 1 52  ? -30.17800 -19.05900 25.63100  1.000 43.38011  ? 371 THR A HG22 1 
ATOM   727  H  HG23 . THR A 1 52  ? -28.78800 -18.44500 25.18500  1.000 43.38011  ? 371 THR A HG23 1 
ATOM   728  N  N    . LYS A 1 53  ? -28.54600 -20.88200 29.49400  1.000 41.36694  ? 372 LYS A N    1 
ATOM   729  C  CA   . LYS A 1 53  ? -27.88700 -21.69200 30.51400  1.000 33.56915  ? 372 LYS A CA   1 
ATOM   730  C  C    . LYS A 1 53  ? -26.75900 -22.51500 29.91400  1.000 26.95576  ? 372 LYS A C    1 
ATOM   731  O  O    . LYS A 1 53  ? -25.75300 -22.76300 30.58600  1.000 43.86390  ? 372 LYS A O    1 
ATOM   732  C  CB   . LYS A 1 53  ? -28.89700 -22.59100 31.23100  1.000 49.09658  ? 372 LYS A CB   1 
ATOM   733  C  CG   . LYS A 1 53  ? -29.88500 -21.83900 32.13500  1.000 52.75407  ? 372 LYS A CG   1 
ATOM   734  C  CD   . LYS A 1 53  ? -30.69200 -22.81200 32.99600  1.000 67.09338  ? 372 LYS A CD   1 
ATOM   735  C  CE   . LYS A 1 53  ? -31.80500 -22.08500 33.73300  1.000 84.41323  ? 372 LYS A CE   1 
ATOM   736  N  NZ   . LYS A 1 53  ? -32.99200 -21.85600 32.86200  1.000 80.23584  ? 372 LYS A NZ   1 
ATOM   737  H  H    . LYS A 1 53  ? -29.37200 -21.06600 29.34100  1.000 49.68888  ? 372 LYS A H    1 
ATOM   738  H  HA   . LYS A 1 53  ? -27.50000 -21.09000 31.16900  1.000 40.33154  ? 372 LYS A HA   1 
ATOM   739  H  HB2  . LYS A 1 53  ? -29.39800 -23.09000 30.56700  1.000 58.96445  ? 372 LYS A HB2  1 
ATOM   740  H  HB3  . LYS A 1 53  ? -28.41400 -23.23900 31.76700  1.000 58.96445  ? 372 LYS A HB3  1 
ATOM   741  H  HG2  . LYS A 1 53  ? -29.40100 -21.22200 32.70600  1.000 63.35344  ? 372 LYS A HG2  1 
ATOM   742  H  HG3  . LYS A 1 53  ? -30.48700 -21.30800 31.59000  1.000 63.35344  ? 372 LYS A HG3  1 
ATOM   743  H  HD2  . LYS A 1 53  ? -31.07000 -23.50900 32.43700  1.000 80.56061  ? 372 LYS A HD2  1 
ATOM   744  H  HD3  . LYS A 1 53  ? -30.10600 -23.24800 33.63500  1.000 80.56061  ? 372 LYS A HD3  1 
ATOM   745  H  HE2  . LYS A 1 53  ? -32.06900 -22.60200 34.51000  1.000 101.34443 ? 372 LYS A HE2  1 
ATOM   746  H  HE3  . LYS A 1 53  ? -31.47400 -21.23300 34.05900  1.000 101.34443 ? 372 LYS A HE3  1 
ATOM   747  H  HZ1  . LYS A 1 53  ? -33.73100 -21.86300 33.35800  1.000 96.33156  ? 372 LYS A HZ1  1 
ATOM   748  H  HZ2  . LYS A 1 53  ? -32.91500 -21.06700 32.45700  1.000 96.33156  ? 372 LYS A HZ2  1 
ATOM   749  H  HZ3  . LYS A 1 53  ? -33.04000 -22.50000 32.25000  1.000 96.33156  ? 372 LYS A HZ3  1 
ATOM   750  N  N    . HIS A 1 54  ? -26.87600 -22.90600 28.64200  1.000 31.82458  ? 373 HIS A N    1 
ATOM   751  C  CA   . HIS A 1 54  ? -25.81000 -23.68200 28.01300  1.000 30.24880  ? 373 HIS A CA   1 
ATOM   752  C  C    . HIS A 1 54  ? -24.54000 -22.84900 27.80600  1.000 24.21835  ? 373 HIS A C    1 
ATOM   753  O  O    . HIS A 1 54  ? -23.42700 -23.35400 28.00000  1.000 37.97057  ? 373 HIS A O    1 
ATOM   754  C  CB   . HIS A 1 54  ? -26.29000 -24.28000 26.67900  1.000 31.70407  ? 373 HIS A CB   1 
ATOM   755  C  CG   . HIS A 1 54  ? -25.31300 -25.24400 26.09100  1.000 24.97504  ? 373 HIS A CG   1 
ATOM   756  N  ND1  . HIS A 1 54  ? -24.21100 -24.83600 25.36700  1.000 33.61900  ? 373 HIS A ND1  1 
ATOM   757  C  CD2  . HIS A 1 54  ? -25.22400 -26.59000 26.18300  1.000 25.77783  ? 373 HIS A CD2  1 
ATOM   758  C  CE1  . HIS A 1 54  ? -23.49300 -25.89200 25.02800  1.000 39.52551  ? 373 HIS A CE1  1 
ATOM   759  N  NE2  . HIS A 1 54  ? -24.08800 -26.97000 25.50700  1.000 27.82350  ? 373 HIS A NE2  1 
ATOM   760  H  H    . HIS A 1 54  ? -27.55100 -22.73600 28.13700  1.000 38.23805  ? 373 HIS A H    1 
ATOM   761  H  HA   . HIS A 1 54  ? -25.58500 -24.40700 28.61700  1.000 36.34712  ? 373 HIS A HA   1 
ATOM   762  H  HB2  . HIS A 1 54  ? -27.13800 -24.73000 26.81800  1.000 38.09344  ? 373 HIS A HB2  1 
ATOM   763  H  HB3  . HIS A 1 54  ? -26.45000 -23.56200 26.04700  1.000 38.09344  ? 373 HIS A HB3  1 
ATOM   764  H  HD2  . HIS A 1 54  ? -25.82000 -27.15400 26.62200  1.000 30.69060  ? 373 HIS A HD2  1 
ATOM   765  H  HE1  . HIS A 1 54  ? -22.70400 -25.87900 24.53600  1.000 47.47917  ? 373 HIS A HE1  1 
ATOM   766  H  HE2  . HIS A 1 54  ? -23.81000 -27.77800 25.41200  1.000 33.43676  ? 373 HIS A HE2  1 
ATOM   767  N  N    . ALA A 1 55  ? -24.67000 -21.58200 27.40400  1.000 28.76713  ? 374 ALA A N    1 
ATOM   768  C  CA   . ALA A 1 55  ? -23.48100 -20.74000 27.25800  1.000 23.77543  ? 374 ALA A CA   1 
ATOM   769  C  C    . ALA A 1 55  ? -22.80400 -20.48500 28.60500  1.000 29.43471  ? 374 ALA A C    1 
ATOM   770  O  O    . ALA A 1 55  ? -21.56200 -20.41400 28.68700  1.000 24.09891  ? 374 ALA A O    1 
ATOM   771  C  CB   . ALA A 1 55  ? -23.85200 -19.41800 26.58800  1.000 38.57056  ? 374 ALA A CB   1 
ATOM   772  H  H    . ALA A 1 55  ? -25.41700 -21.19900 27.21500  1.000 34.56911  ? 374 ALA A H    1 
ATOM   773  H  HA   . ALA A 1 55  ? -22.84700 -21.21300 26.69700  1.000 28.36549  ? 374 ALA A HA   1 
ATOM   774  H  HB1  . ALA A 1 55  ? -23.05800 -18.86800 26.49600  1.000 46.33322  ? 374 ALA A HB1  1 
ATOM   775  H  HB2  . ALA A 1 55  ? -24.22700 -19.59400 25.71100  1.000 46.33322  ? 374 ALA A HB2  1 
ATOM   776  H  HB3  . ALA A 1 55  ? -24.50700 -18.95200 27.13100  1.000 46.33322  ? 374 ALA A HB3  1 
ATOM   777  N  N    . ILE A 1 56  ? -23.60300 -20.34400 29.67100  1.000 29.41529  ? 375 ILE A N    1 
ATOM   778  C  CA   . ILE A 1 56  ? -23.04500 -20.23000 31.01800  1.000 25.99546  ? 375 ILE A CA   1 
ATOM   779  C  C    . ILE A 1 56  ? -22.32500 -21.51500 31.40000  1.000 25.60166  ? 375 ILE A C    1 
ATOM   780  O  O    . ILE A 1 56  ? -21.16900 -21.50000 31.83900  1.000 28.21435  ? 375 ILE A O    1 
ATOM   781  C  CB   . ILE A 1 56  ? -24.15400 -19.87200 32.02700  1.000 30.50981  ? 375 ILE A CB   1 
ATOM   782  C  CG1  . ILE A 1 56  ? -24.63900 -18.43200 31.78900  1.000 39.00109  ? 375 ILE A CG1  1 
ATOM   783  C  CG2  . ILE A 1 56  ? -23.68100 -20.05600 33.46300  1.000 28.81595  ? 375 ILE A CG2  1 
ATOM   784  C  CD1  . ILE A 1 56  ? -25.94200 -18.10000 32.48500  1.000 30.65496  ? 375 ILE A CD1  1 
ATOM   785  H  H    . ILE A 1 56  ? -24.46200 -20.31300 29.63300  1.000 35.34691  ? 375 ILE A H    1 
ATOM   786  H  HA   . ILE A 1 56  ? -22.39200 -19.51300 31.03400  1.000 30.95176  ? 375 ILE A HA   1 
ATOM   787  H  HB   . ILE A 1 56  ? -24.89800 -20.47900 31.88800  1.000 36.66033  ? 375 ILE A HB   1 
ATOM   788  H  HG12 . ILE A 1 56  ? -23.95400 -17.81500 32.09200  1.000 46.84987  ? 375 ILE A HG12 1 
ATOM   789  H  HG13 . ILE A 1 56  ? -24.74700 -18.29000 30.83600  1.000 46.84987  ? 375 ILE A HG13 1 
ATOM   790  H  HG21 . ILE A 1 56  ? -24.39900 -19.82400 34.07300  1.000 34.33634  ? 375 ILE A HG21 1 
ATOM   791  H  HG22 . ILE A 1 56  ? -23.42500 -20.98100 33.60400  1.000 34.33634  ? 375 ILE A HG22 1 
ATOM   792  H  HG23 . ILE A 1 56  ? -22.91800 -19.48100 33.62900  1.000 34.33634  ? 375 ILE A HG23 1 
ATOM   793  H  HD11 . ILE A 1 56  ? -26.18700 -17.18100 32.29300  1.000 36.54316  ? 375 ILE A HD11 1 
ATOM   794  H  HD12 . ILE A 1 56  ? -26.64000 -18.69400 32.16600  1.000 36.54316  ? 375 ILE A HD12 1 
ATOM   795  H  HD13 . ILE A 1 56  ? -25.83500 -18.21200 33.44300  1.000 36.54316  ? 375 ILE A HD13 1 
ATOM   796  N  N    . VAL A 1 57  ? -22.98500 -22.65300 31.21800  1.000 37.70451  ? 376 VAL A N    1 
ATOM   797  C  CA   . VAL A 1 57  ? -22.34700 -23.92500 31.55400  1.000 31.58440  ? 376 VAL A CA   1 
ATOM   798  C  C    . VAL A 1 57  ? -21.08700 -24.13000 30.71800  1.000 24.77554  ? 376 VAL A C    1 
ATOM   799  O  O    . VAL A 1 57  ? -20.04800 -24.57300 31.22800  1.000 27.85748  ? 376 VAL A O    1 
ATOM   800  C  CB   . VAL A 1 57  ? -23.33700 -25.08600 31.35500  1.000 25.97023  ? 376 VAL A CB   1 
ATOM   801  C  CG1  . VAL A 1 57  ? -22.58300 -26.42000 31.35500  1.000 36.51655  ? 376 VAL A CG1  1 
ATOM   802  C  CG2  . VAL A 1 57  ? -24.42700 -25.04400 32.41900  1.000 36.83224  ? 376 VAL A CG2  1 
ATOM   803  H  H    . VAL A 1 57  ? -23.78500 -22.71400 30.90800  1.000 45.29397  ? 376 VAL A H    1 
ATOM   804  H  HA   . VAL A 1 57  ? -22.08500 -23.90600 32.48800  1.000 37.94984  ? 376 VAL A HA   1 
ATOM   805  H  HB   . VAL A 1 57  ? -23.77400 -24.99400 30.49400  1.000 30.92148  ? 376 VAL A HB   1 
ATOM   806  H  HG11 . VAL A 1 57  ? -23.21200 -27.14800 31.22900  1.000 43.86841  ? 376 VAL A HG11 1 
ATOM   807  H  HG12 . VAL A 1 57  ? -21.93500 -26.42500 30.63400  1.000 43.86841  ? 376 VAL A HG12 1 
ATOM   808  H  HG13 . VAL A 1 57  ? -22.12400 -26.53300 32.20200  1.000 43.86841  ? 376 VAL A HG13 1 
ATOM   809  H  HG21 . VAL A 1 57  ? -25.04300 -25.78100 32.28100  1.000 44.24724  ? 376 VAL A HG21 1 
ATOM   810  H  HG22 . VAL A 1 57  ? -24.02400 -25.12000 33.29800  1.000 44.24724  ? 376 VAL A HG22 1 
ATOM   811  H  HG23 . VAL A 1 57  ? -24.90900 -24.20400 32.35600  1.000 44.24724  ? 376 VAL A HG23 1 
ATOM   812  N  N    . GLN A 1 58  ? -21.16100 -23.81400 29.42100  1.000 50.41086  ? 377 GLN A N    1 
ATOM   813  C  CA   . GLN A 1 58  ? -20.01600 -24.03000 28.54200  1.000 34.76814  ? 377 GLN A CA   1 
ATOM   814  C  C    . GLN A 1 58  ? -18.83800 -23.14800 28.93400  1.000 39.40880  ? 377 GLN A C    1 
ATOM   815  O  O    . GLN A 1 58  ? -17.69000 -23.60400 28.92600  1.000 45.94033  ? 377 GLN A O    1 
ATOM   816  C  CB   . GLN A 1 58  ? -20.40200 -23.77300 27.08700  1.000 45.68402  ? 377 GLN A CB   1 
ATOM   817  C  CG   . GLN A 1 58  ? -19.27900 -24.08000 26.10900  1.000 43.95078  ? 377 GLN A CG   1 
ATOM   818  C  CD   . GLN A 1 58  ? -19.75700 -24.17300 24.67700  1.000 63.66714  ? 377 GLN A CD   1 
ATOM   819  O  OE1  . GLN A 1 58  ? -20.95600 -24.11900 24.40500  1.000 81.74137  ? 377 GLN A OE1  1 
ATOM   820  N  NE2  . GLN A 1 58  ? -18.81600 -24.30900 23.74900  1.000 90.91783  ? 377 GLN A NE2  1 
ATOM   821  H  H    . GLN A 1 58  ? -21.85500 -23.47900 29.03900  1.000 60.54159  ? 377 GLN A H    1 
ATOM   822  H  HA   . GLN A 1 58  ? -19.74300 -24.95600 28.63800  1.000 41.77032  ? 377 GLN A HA   1 
ATOM   823  H  HB2  . GLN A 1 58  ? -21.17600 -24.31400 26.86300  1.000 54.86938  ? 377 GLN A HB2  1 
ATOM   824  H  HB3  . GLN A 1 58  ? -20.66600 -22.84500 26.98700  1.000 54.86938  ? 377 GLN A HB3  1 
ATOM   825  H  HG2  . GLN A 1 58  ? -18.60100 -23.39000 26.17500  1.000 52.78950  ? 377 GLN A HG2  1 
ATOM   826  H  HG3  . GLN A 1 58  ? -18.85700 -24.91700 26.36000  1.000 52.78950  ? 377 GLN A HG3  1 
ATOM   827  H  HE21 . GLN A 1 58  ? -17.98800 -24.34300 23.97800  1.000 109.14995 ? 377 GLN A HE21 1 
ATOM   828  H  HE22 . GLN A 1 58  ? -19.03500 -24.36300 22.91900  1.000 109.14995 ? 377 GLN A HE22 1 
ATOM   829  N  N    . THR A 1 59  ? -19.09900 -21.87900 29.26400  1.000 30.22664  ? 378 THR A N    1 
ATOM   830  C  CA   . THR A 1 59  ? -18.02800 -20.98900 29.69900  1.000 29.90247  ? 378 THR A CA   1 
ATOM   831  C  C    . THR A 1 59  ? -17.34400 -21.52500 30.95300  1.000 36.32626  ? 378 THR A C    1 
ATOM   832  O  O    . THR A 1 59  ? -16.11100 -21.53000 31.03300  1.000 40.07949  ? 378 THR A O    1 
ATOM   833  C  CB   . THR A 1 59  ? -18.58600 -19.58900 29.95100  1.000 42.77314  ? 378 THR A CB   1 
ATOM   834  O  OG1  . THR A 1 59  ? -19.22800 -19.10300 28.75700  1.000 44.35350  ? 378 THR A OG1  1 
ATOM   835  C  CG2  . THR A 1 59  ? -17.47800 -18.64100 30.35200  1.000 59.13546  ? 378 THR A CG2  1 
ATOM   836  H  H    . THR A 1 59  ? -19.88100 -21.52100 29.24200  1.000 36.32053  ? 378 THR A H    1 
ATOM   837  H  HA   . THR A 1 59  ? -17.36200 -20.94300 28.99500  1.000 35.93152  ? 378 THR A HA   1 
ATOM   838  H  HB   . THR A 1 59  ? -19.23200 -19.63700 30.67300  1.000 51.37632  ? 378 THR A HB   1 
ATOM   839  H  HG1  . THR A 1 59  ? -19.97500 -19.47700 28.66800  1.000 53.27276  ? 378 THR A HG1  1 
ATOM   840  H  HG21 . THR A 1 59  ? -17.84800 -17.75800 30.50800  1.000 71.01111  ? 378 THR A HG21 1 
ATOM   841  H  HG22 . THR A 1 59  ? -17.05500 -18.96200 31.16400  1.000 71.01111  ? 378 THR A HG22 1 
ATOM   842  H  HG23 . THR A 1 59  ? -16.81900 -18.59400 29.64200  1.000 71.01111  ? 378 THR A HG23 1 
ATOM   843  N  N    . LEU A 1 60  ? -18.12600 -22.00600 31.93300  1.000 36.50424  ? 379 LEU A N    1 
ATOM   844  C  CA   . LEU A 1 60  ? -17.54100 -22.63900 33.12000  1.000 27.16578  ? 379 LEU A CA   1 
ATOM   845  C  C    . LEU A 1 60  ? -16.65900 -23.81400 32.74800  1.000 27.23511  ? 379 LEU A C    1 
ATOM   846  O  O    . LEU A 1 60  ? -15.51900 -23.92000 33.21900  1.000 32.11221  ? 379 LEU A O    1 
ATOM   847  C  CB   . LEU A 1 60  ? -18.63100 -23.11100 34.07800  1.000 32.25771  ? 379 LEU A CB   1 
ATOM   848  C  CG   . LEU A 1 60  ? -19.45600 -21.99500 34.70300  1.000 36.80869  ? 379 LEU A CG   1 
ATOM   849  C  CD1  . LEU A 1 60  ? -20.70100 -22.58000 35.32900  1.000 32.59644  ? 379 LEU A CD1  1 
ATOM   850  C  CD2  . LEU A 1 60  ? -18.60900 -21.26500 35.73200  1.000 35.71633  ? 379 LEU A CD2  1 
ATOM   851  H  H    . LEU A 1 60  ? -18.98500 -21.97500 31.92800  1.000 43.85364  ? 379 LEU A H    1 
ATOM   852  H  HA   . LEU A 1 60  ? -16.99500 -21.96800 33.55900  1.000 32.35615  ? 379 LEU A HA   1 
ATOM   853  H  HB2  . LEU A 1 60  ? -19.22700 -23.70900 33.60100  1.000 38.75781  ? 379 LEU A HB2  1 
ATOM   854  H  HB3  . LEU A 1 60  ? -18.21900 -23.62800 34.78800  1.000 38.75781  ? 379 LEU A HB3  1 
ATOM   855  H  HG   . LEU A 1 60  ? -19.73000 -21.35800 34.02500  1.000 44.21899  ? 379 LEU A HG   1 
ATOM   856  H  HD11 . LEU A 1 60  ? -21.22700 -21.86900 35.72800  1.000 39.16428  ? 379 LEU A HD11 1 
ATOM   857  H  HD12 . LEU A 1 60  ? -21.22600 -23.02800 34.64700  1.000 39.16428  ? 379 LEU A HD12 1 
ATOM   858  H  HD13 . LEU A 1 60  ? -20.44900 -23.21900 36.01400  1.000 39.16428  ? 379 LEU A HD13 1 
ATOM   859  H  HD21 . LEU A 1 60  ? -19.13000 -20.55200 36.13400  1.000 42.90816  ? 379 LEU A HD21 1 
ATOM   860  H  HD22 . LEU A 1 60  ? -18.32800 -21.88800 36.42100  1.000 42.90816  ? 379 LEU A HD22 1 
ATOM   861  H  HD23 . LEU A 1 60  ? -17.82700 -20.88800 35.29900  1.000 42.90816  ? 379 LEU A HD23 1 
ATOM   862  N  N    . VAL A 1 61  ? -17.17400 -24.72700 31.91500  1.000 32.75887  ? 380 VAL A N    1 
ATOM   863  C  CA   . VAL A 1 61  ? -16.36600 -25.87400 31.52300  1.000 27.23859  ? 380 VAL A CA   1 
ATOM   864  C  C    . VAL A 1 61  ? -15.12000 -25.42400 30.77800  1.000 29.74793  ? 380 VAL A C    1 
ATOM   865  O  O    . VAL A 1 61  ? -14.04700 -26.02500 30.92300  1.000 33.72173  ? 380 VAL A O    1 
ATOM   866  C  CB   . VAL A 1 61  ? -17.20400 -26.85900 30.69700  1.000 35.39113  ? 380 VAL A CB   1 
ATOM   867  C  CG1  . VAL A 1 61  ? -16.35800 -28.05600 30.28100  1.000 35.59979  ? 380 VAL A CG1  1 
ATOM   868  C  CG2  . VAL A 1 61  ? -18.41000 -27.29600 31.49800  1.000 34.29594  ? 380 VAL A CG2  1 
ATOM   869  H  H    . VAL A 1 61  ? -17.96500 -24.69900 31.57800  1.000 39.35920  ? 380 VAL A H    1 
ATOM   870  H  HA   . VAL A 1 61  ? -16.07000 -26.33800 32.32200  1.000 32.73486  ? 380 VAL A HA   1 
ATOM   871  H  HB   . VAL A 1 61  ? -17.51300 -26.41900 29.88900  1.000 42.51792  ? 380 VAL A HB   1 
ATOM   872  H  HG11 . VAL A 1 61  ? -16.89900 -28.67000 29.76000  1.000 42.76830  ? 380 VAL A HG11 1 
ATOM   873  H  HG12 . VAL A 1 61  ? -15.60800 -27.75200 29.74500  1.000 42.76830  ? 380 VAL A HG12 1 
ATOM   874  H  HG13 . VAL A 1 61  ? -16.02700 -28.50900 31.07200  1.000 42.76830  ? 380 VAL A HG13 1 
ATOM   875  H  HG21 . VAL A 1 61  ? -18.93800 -27.91800 30.97400  1.000 41.20369  ? 380 VAL A HG21 1 
ATOM   876  H  HG22 . VAL A 1 61  ? -18.11700 -27.72900 32.31500  1.000 41.20369  ? 380 VAL A HG22 1 
ATOM   877  H  HG23 . VAL A 1 61  ? -18.95000 -26.52100 31.71900  1.000 41.20369  ? 380 VAL A HG23 1 
ATOM   878  N  N    . HIS A 1 62  ? -15.21900 -24.35000 29.99000  1.000 32.26270  ? 381 HIS A N    1 
ATOM   879  C  CA   . HIS A 1 62  ? -14.02400 -23.86200 29.31500  1.000 37.09878  ? 381 HIS A CA   1 
ATOM   880  C  C    . HIS A 1 62  ? -13.00000 -23.35000 30.32000  1.000 31.24267  ? 381 HIS A C    1 
ATOM   881  O  O    . HIS A 1 62  ? -11.79400 -23.54900 30.14100  1.000 35.26232  ? 381 HIS A O    1 
ATOM   882  C  CB   . HIS A 1 62  ? -14.37300 -22.76700 28.32000  1.000 38.36711  ? 381 HIS A CB   1 
ATOM   883  C  CG   . HIS A 1 62  ? -13.18300 -22.00800 27.83000  1.000 38.27210  ? 381 HIS A CG   1 
ATOM   884  N  ND1  . HIS A 1 62  ? -12.29600 -22.52600 26.91000  1.000 60.31483  ? 381 HIS A ND1  1 
ATOM   885  C  CD2  . HIS A 1 62  ? -12.72300 -20.77200 28.14200  1.000 54.20853  ? 381 HIS A CD2  1 
ATOM   886  C  CE1  . HIS A 1 62  ? -11.35000 -21.63700 26.66400  1.000 36.14001  ? 381 HIS A CE1  1 
ATOM   887  N  NE2  . HIS A 1 62  ? -11.58700 -20.56400 27.39900  1.000 42.87035  ? 381 HIS A NE2  1 
ATOM   888  H  H    . HIS A 1 62  ? -15.94100 -23.90700 29.83900  1.000 38.76380  ? 381 HIS A H    1 
ATOM   889  H  HA   . HIS A 1 62  ? -13.63400 -24.60700 28.83100  1.000 44.56709  ? 381 HIS A HA   1 
ATOM   890  H  HB2  . HIS A 1 62  ? -14.83100 -23.16200 27.56200  1.000 46.08909  ? 381 HIS A HB2  1 
ATOM   891  H  HB3  . HIS A 1 62  ? -14.99400 -22.14800 28.73500  1.000 46.08909  ? 381 HIS A HB3  1 
ATOM   892  H  HD1  . HIS A 1 62  ? -12.35000 -23.30600 26.55200  1.000 72.42636  ? 381 HIS A HD1  1 
ATOM   893  H  HD2  . HIS A 1 62  ? -13.10500 -20.17700 28.74600  1.000 65.09880  ? 381 HIS A HD2  1 
ATOM   894  H  HE1  . HIS A 1 62  ? -10.63900 -21.74700 26.07500  1.000 43.41657  ? 381 HIS A HE1  1 
ATOM   895  N  N    . LEU A 1 63  ? -13.46400 -22.70200 31.39000  1.000 43.48829  ? 382 LEU A N    1 
ATOM   896  C  CA   . LEU A 1 63  ? -12.54300 -22.15400 32.37900  1.000 51.67726  ? 382 LEU A CA   1 
ATOM   897  C  C    . LEU A 1 63  ? -11.71600 -23.24400 33.04800  1.000 41.19955  ? 382 LEU A C    1 
ATOM   898  O  O    . LEU A 1 63  ? -10.54900 -23.01700 33.38800  1.000 39.05392  ? 382 LEU A O    1 
ATOM   899  C  CB   . LEU A 1 63  ? -13.31600 -21.36000 33.43100  1.000 42.44607  ? 382 LEU A CB   1 
ATOM   900  C  CG   . LEU A 1 63  ? -12.44400 -20.56400 34.40000  1.000 71.56840  ? 382 LEU A CG   1 
ATOM   901  C  CD1  . LEU A 1 63  ? -11.70800 -19.46800 33.65200  1.000 87.01648  ? 382 LEU A CD1  1 
ATOM   902  C  CD2  . LEU A 1 63  ? -13.27700 -19.98600 35.52500  1.000 75.02374  ? 382 LEU A CD2  1 
ATOM   903  H  H    . LEU A 1 63  ? -14.29700 -22.57200 31.55800  1.000 52.23451  ? 382 LEU A H    1 
ATOM   904  H  HA   . LEU A 1 63  ? -11.92900 -21.56400 31.91500  1.000 62.06127  ? 382 LEU A HA   1 
ATOM   905  H  HB2  . LEU A 1 63  ? -13.91700 -20.74800 32.97900  1.000 50.98384  ? 382 LEU A HB2  1 
ATOM   906  H  HB3  . LEU A 1 63  ? -13.86700 -21.97400 33.94100  1.000 50.98384  ? 382 LEU A HB3  1 
ATOM   907  H  HG   . LEU A 1 63  ? -11.79100 -21.16300 34.79500  1.000 85.93064  ? 382 LEU A HG   1 
ATOM   908  H  HD11 . LEU A 1 63  ? -11.15600 -18.96700 34.27300  1.000 104.46833 ? 382 LEU A HD11 1 
ATOM   909  H  HD12 . LEU A 1 63  ? -11.14600 -19.86400 32.96800  1.000 104.46833 ? 382 LEU A HD12 1 
ATOM   910  H  HD13 . LEU A 1 63  ? -12.35100 -18.87200 33.23700  1.000 104.46833 ? 382 LEU A HD13 1 
ATOM   911  H  HD21 . LEU A 1 63  ? -12.70500 -19.48500 36.12700  1.000 90.07705  ? 382 LEU A HD21 1 
ATOM   912  H  HD22 . LEU A 1 63  ? -13.95300 -19.39600 35.15700  1.000 90.07705  ? 382 LEU A HD22 1 
ATOM   913  H  HD23 . LEU A 1 63  ? -13.70700 -20.70600 36.01200  1.000 90.07705  ? 382 LEU A HD23 1 
ATOM   914  N  N    . LYS A 1 64  ? -12.29300 -24.42900 33.23900  1.000 39.33602  ? 383 LYS A N    1 
ATOM   915  C  CA   . LYS A 1 64  ? -11.58400 -25.51900 33.89300  1.000 39.94235  ? 383 LYS A CA   1 
ATOM   916  C  C    . LYS A 1 64  ? -10.84300 -26.42200 32.91600  1.000 43.13465  ? 383 LYS A C    1 
ATOM   917  O  O    . LYS A 1 64  ? -9.88500  -27.09100 33.31900  1.000 54.96561  ? 383 LYS A O    1 
ATOM   918  C  CB   . LYS A 1 64  ? -12.55900 -26.35800 34.72600  1.000 47.07167  ? 383 LYS A CB   1 
ATOM   919  C  CG   . LYS A 1 64  ? -11.89400 -27.17900 35.82000  1.000 79.67808  ? 383 LYS A CG   1 
ATOM   920  C  CD   . LYS A 1 64  ? -12.92400 -27.89000 36.68300  1.000 77.55825  ? 383 LYS A CD   1 
ATOM   921  C  CE   . LYS A 1 64  ? -12.26700 -28.59500 37.85900  1.000 61.13523  ? 383 LYS A CE   1 
ATOM   922  N  NZ   . LYS A 1 64  ? -11.30000 -27.71300 38.57000  1.000 75.62245  ? 383 LYS A NZ   1 
ATOM   923  H  H    . LYS A 1 64  ? -13.09600 -24.62000 32.99600  1.000 47.25179  ? 383 LYS A H    1 
ATOM   924  H  HA   . LYS A 1 64  ? -10.91700 -25.10900 34.46600  1.000 47.97938  ? 383 LYS A HA   1 
ATOM   925  H  HB2  . LYS A 1 64  ? -13.21400 -25.76800 35.13100  1.000 56.53456  ? 383 LYS A HB2  1 
ATOM   926  H  HB3  . LYS A 1 64  ? -13.04300 -26.95600 34.13500  1.000 56.53456  ? 383 LYS A HB3  1 
ATOM   927  H  HG2  . LYS A 1 64  ? -11.29800 -27.83200 35.42000  1.000 95.66226  ? 383 LYS A HG2  1 
ATOM   928  H  HG3  . LYS A 1 64  ? -11.34900 -26.60000 36.37500  1.000 95.66226  ? 383 LYS A HG3  1 
ATOM   929  H  HD2  . LYS A 1 64  ? -13.57400 -27.24800 37.01000  1.000 93.11846  ? 383 LYS A HD2  1 
ATOM   930  H  HD3  . LYS A 1 64  ? -13.40900 -28.53600 36.14600  1.000 93.11846  ? 383 LYS A HD3  1 
ATOM   931  H  HE2  . LYS A 1 64  ? -12.95100 -28.89100 38.48000  1.000 73.41084  ? 383 LYS A HE2  1 
ATOM   932  H  HE3  . LYS A 1 64  ? -11.80800 -29.38900 37.54300  1.000 73.41084  ? 383 LYS A HE3  1 
ATOM   933  H  HZ1  . LYS A 1 64  ? -11.16800 -28.02100 39.39500  1.000 90.79549  ? 383 LYS A HZ1  1 
ATOM   934  H  HZ2  . LYS A 1 64  ? -10.52700 -27.70400 38.13000  1.000 90.79549  ? 383 LYS A HZ2  1 
ATOM   935  H  HZ3  . LYS A 1 64  ? -11.62700 -26.88600 38.61100  1.000 90.79549  ? 383 LYS A HZ3  1 
ATOM   936  N  N    . PHE A 1 65  ? -11.25500 -26.45700 31.65000  1.000 50.19413  ? 384 PHE A N    1 
ATOM   937  C  CA   . PHE A 1 65  ? -10.60700 -27.27600 30.62500  1.000 50.70980  ? 384 PHE A CA   1 
ATOM   938  C  C    . PHE A 1 65  ? -10.41300 -26.45100 29.36100  1.000 65.05749  ? 384 PHE A C    1 
ATOM   939  O  O    . PHE A 1 65  ? -11.06000 -26.69700 28.33600  1.000 62.02133  ? 384 PHE A O    1 
ATOM   940  C  CB   . PHE A 1 65  ? -11.42400 -28.53800 30.32400  1.000 48.50359  ? 384 PHE A CB   1 
ATOM   941  C  CG   . PHE A 1 65  ? -11.79800 -29.32300 31.54300  1.000 40.20277  ? 384 PHE A CG   1 
ATOM   942  C  CD1  . PHE A 1 65  ? -10.94500 -30.29500 32.04700  1.000 82.61122  ? 384 PHE A CD1  1 
ATOM   943  C  CD2  . PHE A 1 65  ? -12.99500 -29.08100 32.19900  1.000 46.43460  ? 384 PHE A CD2  1 
ATOM   944  C  CE1  . PHE A 1 65  ? -11.28100 -31.02100 33.19100  1.000 62.70435  ? 384 PHE A CE1  1 
ATOM   945  C  CE2  . PHE A 1 65  ? -13.33700 -29.79600 33.34400  1.000 53.33827  ? 384 PHE A CE2  1 
ATOM   946  C  CZ   . PHE A 1 65  ? -12.47800 -30.77200 33.83800  1.000 52.75080  ? 384 PHE A CZ   1 
ATOM   947  H  H    . PHE A 1 65  ? -11.92400 -26.00200 31.35900  1.000 60.28151  ? 384 PHE A H    1 
ATOM   948  H  HA   . PHE A 1 65  ? -9.74200  -27.56000 30.95800  1.000 60.90032  ? 384 PHE A HA   1 
ATOM   949  H  HB2  . PHE A 1 65  ? -12.23300 -28.28400 29.85300  1.000 58.25287  ? 384 PHE A HB2  1 
ATOM   950  H  HB3  . PHE A 1 65  ? -10.91500 -29.10800 29.72700  1.000 58.25287  ? 384 PHE A HB3  1 
ATOM   951  H  HD1  . PHE A 1 65  ? -10.13800 -30.46500 31.61700  1.000 99.18202  ? 384 PHE A HD1  1 
ATOM   952  H  HD2  . PHE A 1 65  ? -13.57600 -28.43400 31.87100  1.000 55.77008  ? 384 PHE A HD2  1 
ATOM   953  H  HE1  . PHE A 1 65  ? -10.70100 -31.67100 33.51700  1.000 75.29378  ? 384 PHE A HE1  1 
ATOM   954  H  HE2  . PHE A 1 65  ? -14.14000 -29.62100 33.77900  1.000 64.05448  ? 384 PHE A HE2  1 
ATOM   955  H  HZ   . PHE A 1 65  ? -12.70700 -31.25500 34.59900  1.000 63.34952  ? 384 PHE A HZ   1 
ATOM   956  N  N    . PRO A 1 66  ? -9.50000  -25.47400 29.39200  1.000 51.47901  ? 385 PRO A N    1 
ATOM   957  C  CA   . PRO A 1 66  ? -9.40100  -24.52500 28.26300  1.000 54.22268  ? 385 PRO A CA   1 
ATOM   958  C  C    . PRO A 1 66  ? -9.00500  -25.16000 26.93800  1.000 52.38447  ? 385 PRO A C    1 
ATOM   959  O  O    . PRO A 1 66  ? -9.37900  -24.64000 25.87500  1.000 55.28350  ? 385 PRO A O    1 
ATOM   960  C  CB   . PRO A 1 66  ? -8.34100  -23.51900 28.74200  1.000 49.82669  ? 385 PRO A CB   1 
ATOM   961  C  CG   . PRO A 1 66  ? -8.17500  -23.75600 30.20800  1.000 59.07042  ? 385 PRO A CG   1 
ATOM   962  C  CD   . PRO A 1 66  ? -8.50800  -25.19400 30.44500  1.000 54.60286  ? 385 PRO A CD   1 
ATOM   963  H  HA   . PRO A 1 66  ? -10.26400 -24.12900 28.06300  1.000 65.11577  ? 385 PRO A HA   1 
ATOM   964  H  HB2  . PRO A 1 66  ? -7.50200  -23.65000 28.27300  1.000 59.84058  ? 385 PRO A HB2  1 
ATOM   965  H  HB3  . PRO A 1 66  ? -8.62400  -22.60800 28.56800  1.000 59.84058  ? 385 PRO A HB3  1 
ATOM   966  H  HG2  . PRO A 1 66  ? -7.26700  -23.56100 30.48900  1.000 70.93306  ? 385 PRO A HG2  1 
ATOM   967  H  HG3  . PRO A 1 66  ? -8.76100  -23.17700 30.72000  1.000 70.93306  ? 385 PRO A HG3  1 
ATOM   968  H  HD2  . PRO A 1 66  ? -7.72700  -25.76300 30.36400  1.000 65.57199  ? 385 PRO A HD2  1 
ATOM   969  H  HD3  . PRO A 1 66  ? -8.87300  -25.33800 31.33200  1.000 65.57199  ? 385 PRO A HD3  1 
ATOM   970  N  N    . THR A 1 67  ? -8.26200  -26.26600 26.96500  1.000 62.95221  ? 386 THR A N    1 
ATOM   971  C  CA   . THR A 1 67  ? -7.79500  -26.90200 25.74100  1.000 87.32757  ? 386 THR A CA   1 
ATOM   972  C  C    . THR A 1 67  ? -8.80600  -27.86900 25.14100  1.000 74.44331  ? 386 THR A C    1 
ATOM   973  O  O    . THR A 1 67  ? -8.74400  -28.13600 23.93500  1.000 79.26323  ? 386 THR A O    1 
ATOM   974  C  CB   . THR A 1 67  ? -6.48200  -27.64900 25.99800  1.000 73.87256  ? 386 THR A CB   1 
ATOM   975  O  OG1  . THR A 1 67  ? -6.68400  -28.63800 27.01600  1.000 71.18281  ? 386 THR A OG1  1 
ATOM   976  C  CG2  . THR A 1 67  ? -5.39700  -26.68100 26.44600  1.000 101.15292 ? 386 THR A CG2  1 
ATOM   977  H  H    . THR A 1 67  ? -8.01800  -26.66300 27.68800  1.000 75.59121  ? 386 THR A H    1 
ATOM   978  H  HA   . THR A 1 67  ? -7.66100  -26.18600 25.10000  1.000 104.84164 ? 386 THR A HA   1 
ATOM   979  H  HB   . THR A 1 67  ? -6.20200  -28.07600 25.17400  1.000 88.69563  ? 386 THR A HB   1 
ATOM   980  H  HG1  . THR A 1 67  ? -5.94300  -28.96200 27.24300  1.000 85.46793  ? 386 THR A HG1  1 
ATOM   981  H  HG21 . THR A 1 67  ? -4.57300  -27.16800 26.60400  1.000 121.43206 ? 386 THR A HG21 1 
ATOM   982  H  HG22 . THR A 1 67  ? -5.25100  -26.01600 25.75500  1.000 121.43206 ? 386 THR A HG22 1 
ATOM   983  H  HG23 . THR A 1 67  ? -5.67400  -26.24000 27.26500  1.000 121.43206 ? 386 THR A HG23 1 
ATOM   984  N  N    . LYS A 1 68  ? -9.72900  -28.39600 25.94300  1.000 85.44547  ? 387 LYS A N    1 
ATOM   985  C  CA   . LYS A 1 68  ? -10.69300 -29.37300 25.45100  1.000 66.63932  ? 387 LYS A CA   1 
ATOM   986  C  C    . LYS A 1 68  ? -11.97000 -28.72500 24.93000  1.000 78.43088  ? 387 LYS A C    1 
ATOM   987  O  O    . LYS A 1 68  ? -12.48500 -29.13100 23.88200  1.000 97.69777  ? 387 LYS A O    1 
ATOM   988  C  CB   . LYS A 1 68  ? -11.03800 -30.37500 26.55500  1.000 92.27414  ? 387 LYS A CB   1 
ATOM   989  C  CG   . LYS A 1 68  ? -9.85400  -31.18600 27.05600  1.000 96.06783  ? 387 LYS A CG   1 
ATOM   990  C  CD   . LYS A 1 68  ? -10.28200 -32.17800 28.12500  1.000 105.24297 ? 387 LYS A CD   1 
ATOM   991  C  CE   . LYS A 1 68  ? -9.10100  -32.99000 28.63000  1.000 103.92010 ? 387 LYS A CE   1 
ATOM   992  N  NZ   . LYS A 1 68  ? -9.50700  -33.96000 29.68600  1.000 90.47133  ? 387 LYS A NZ   1 
ATOM   993  H  H    . LYS A 1 68  ? -9.81300  -28.20000 26.77600  1.000 102.58312 ? 387 LYS A H    1 
ATOM   994  H  HA   . LYS A 1 68  ? -10.27500 -29.83100 24.70500  1.000 80.01574  ? 387 LYS A HA   1 
ATOM   995  H  HB2  . LYS A 1 68  ? -11.42700 -29.89500 27.30300  1.000 110.77753 ? 387 LYS A HB2  1 
ATOM   996  H  HB3  . LYS A 1 68  ? -11.71700 -30.98400 26.22400  1.000 110.77753 ? 387 LYS A HB3  1 
ATOM   997  H  HG2  . LYS A 1 68  ? -9.44700  -31.66100 26.31500  1.000 115.32995 ? 387 LYS A HG2  1 
ATOM   998  H  HG3  . LYS A 1 68  ? -9.17900  -30.59000 27.41600  1.000 115.32995 ? 387 LYS A HG3  1 
ATOM   999  H  HD2  . LYS A 1 68  ? -10.69000 -31.70300 28.86500  1.000 126.34012 ? 387 LYS A HD2  1 
ATOM   1000 H  HD3  . LYS A 1 68  ? -10.95700 -32.77400 27.76400  1.000 126.34012 ? 387 LYS A HD3  1 
ATOM   1001 H  HE2  . LYS A 1 68  ? -8.69700  -33.46900 27.88900  1.000 124.75268 ? 387 LYS A HE2  1 
ATOM   1002 H  HE3  . LYS A 1 68  ? -8.42400  -32.39100 28.98300  1.000 124.75268 ? 387 LYS A HE3  1 
ATOM   1003 H  HZ1  . LYS A 1 68  ? -8.88600  -33.98300 30.32300  1.000 108.61415 ? 387 LYS A HZ1  1 
ATOM   1004 H  HZ2  . LYS A 1 68  ? -10.28400 -33.70700 30.03900  1.000 108.61415 ? 387 LYS A HZ2  1 
ATOM   1005 H  HZ3  . LYS A 1 68  ? -9.59400  -34.77000 29.32800  1.000 108.61415 ? 387 LYS A HZ3  1 
ATOM   1006 N  N    . VAL A 1 69  ? -12.49400 -27.72800 25.63800  1.000 79.42223  ? 388 VAL A N    1 
ATOM   1007 C  CA   . VAL A 1 69  ? -13.76700 -27.10400 25.30400  1.000 48.74195  ? 388 VAL A CA   1 
ATOM   1008 C  C    . VAL A 1 69  ? -13.54300 -25.62000 25.05200  1.000 42.31892  ? 388 VAL A C    1 
ATOM   1009 O  O    . VAL A 1 69  ? -12.80500 -24.95900 25.79100  1.000 47.01486  ? 388 VAL A O    1 
ATOM   1010 C  CB   . VAL A 1 69  ? -14.80900 -27.31000 26.42300  1.000 57.03367  ? 388 VAL A CB   1 
ATOM   1011 C  CG1  . VAL A 1 69  ? -16.18300 -26.83900 25.96700  1.000 57.19751  ? 388 VAL A CG1  1 
ATOM   1012 C  CG2  . VAL A 1 69  ? -14.84800 -28.76800 26.85300  1.000 79.26124  ? 388 VAL A CG2  1 
ATOM   1013 H  H    . VAL A 1 69  ? -12.11500 -27.39200 26.33300  1.000 95.35523  ? 388 VAL A H    1 
ATOM   1014 H  HA   . VAL A 1 69  ? -14.11800 -27.52400 24.50300  1.000 58.53890  ? 388 VAL A HA   1 
ATOM   1015 H  HB   . VAL A 1 69  ? -14.54800 -26.77700 27.19000  1.000 68.48896  ? 388 VAL A HB   1 
ATOM   1016 H  HG11 . VAL A 1 69  ? -16.82500 -26.97500 26.68100  1.000 68.68557  ? 388 VAL A HG11 1 
ATOM   1017 H  HG12 . VAL A 1 69  ? -16.14400 -25.89600 25.74300  1.000 68.68557  ? 388 VAL A HG12 1 
ATOM   1018 H  HG13 . VAL A 1 69  ? -16.45600 -27.34500 25.18600  1.000 68.68557  ? 388 VAL A HG13 1 
ATOM   1019 H  HG21 . VAL A 1 69  ? -15.50700 -28.88100 27.55600  1.000 95.16205  ? 388 VAL A HG21 1 
ATOM   1020 H  HG22 . VAL A 1 69  ? -15.08700 -29.32300 26.09400  1.000 95.16205  ? 388 VAL A HG22 1 
ATOM   1021 H  HG23 . VAL A 1 69  ? -13.97500 -29.03200 27.18400  1.000 95.16205  ? 388 VAL A HG23 1 
ATOM   1022 N  N    . GLY A 1 70  ? -14.18500 -25.10000 24.00500  1.000 29.88266  ? 389 GLY A N    1 
ATOM   1023 C  CA   . GLY A 1 70  ? -14.16600 -23.67700 23.75100  1.000 29.15565  ? 389 GLY A CA   1 
ATOM   1024 C  C    . GLY A 1 70  ? -15.18900 -22.93200 24.58800  1.000 26.90729  ? 389 GLY A C    1 
ATOM   1025 O  O    . GLY A 1 70  ? -16.07000 -23.51600 25.21900  1.000 48.94651  ? 389 GLY A O    1 
ATOM   1026 H  H    . GLY A 1 70  ? -14.63500 -25.56100 23.43500  1.000 35.90775  ? 389 GLY A H    1 
ATOM   1027 H  HA2  . GLY A 1 70  ? -13.28100 -23.32800 23.93900  1.000 35.03534  ? 389 GLY A HA2  1 
ATOM   1028 H  HA3  . GLY A 1 70  ? -14.34000 -23.51600 22.81100  1.000 35.03534  ? 389 GLY A HA3  1 
ATOM   1029 N  N    . LYS A 1 71  ? -15.06200 -21.60800 24.58900  1.000 34.82076  ? 390 LYS A N    1 
ATOM   1030 C  CA   . LYS A 1 71  ? -15.94100 -20.75800 25.37400  1.000 50.50659  ? 390 LYS A CA   1 
ATOM   1031 C  C    . LYS A 1 71  ? -17.14600 -20.32400 24.54100  1.000 60.41505  ? 390 LYS A C    1 
ATOM   1032 O  O    . LYS A 1 71  ? -17.25700 -20.62600 23.35000  1.000 50.32016  ? 390 LYS A O    1 
ATOM   1033 C  CB   . LYS A 1 71  ? -15.17100 -19.55200 25.91000  1.000 59.08578  ? 390 LYS A CB   1 
ATOM   1034 C  CG   . LYS A 1 71  ? -14.37600 -18.80000 24.85600  1.000 77.56375  ? 390 LYS A CG   1 
ATOM   1035 C  CD   . LYS A 1 71  ? -13.53300 -17.70200 25.48900  1.000 88.36123  ? 390 LYS A CD   1 
ATOM   1036 C  CE   . LYS A 1 71  ? -12.67000 -16.99600 24.45700  1.000 82.45825  ? 390 LYS A CE   1 
ATOM   1037 N  NZ   . LYS A 1 71  ? -11.81100 -15.94900 25.07700  1.000 98.63693  ? 390 LYS A NZ   1 
ATOM   1038 H  H    . LYS A 1 71  ? -14.46700 -21.18200 24.13700  1.000 41.83347  ? 390 LYS A H    1 
ATOM   1039 H  HA   . LYS A 1 71  ? -16.27200 -21.26300 26.13300  1.000 60.65647  ? 390 LYS A HA   1 
ATOM   1040 H  HB2  . LYS A 1 71  ? -15.79800 -18.94000 26.32500  1.000 70.95149  ? 390 LYS A HB2  1 
ATOM   1041 H  HB3  . LYS A 1 71  ? -14.56400 -19.85200 26.60500  1.000 70.95149  ? 390 LYS A HB3  1 
ATOM   1042 H  HG2  . LYS A 1 71  ? -13.80200 -19.41800 24.37700  1.000 93.12506  ? 390 LYS A HG2  1 
ATOM   1043 H  HG3  . LYS A 1 71  ? -14.98100 -18.41300 24.20500  1.000 93.12506  ? 390 LYS A HG3  1 
ATOM   1044 H  HD2  . LYS A 1 71  ? -14.11300 -17.05700 25.92300  1.000 106.08203 ? 390 LYS A HD2  1 
ATOM   1045 H  HD3  . LYS A 1 71  ? -12.96700 -18.08400 26.17800  1.000 106.08203 ? 390 LYS A HD3  1 
ATOM   1046 H  HE2  . LYS A 1 71  ? -12.11100 -17.64600 24.00400  1.000 98.99845  ? 390 LYS A HE2  1 
ATOM   1047 H  HE3  . LYS A 1 71  ? -13.23800 -16.59100 23.78300  1.000 98.99845  ? 390 LYS A HE3  1 
ATOM   1048 H  HZ1  . LYS A 1 71  ? -11.04100 -15.89500 24.63300  1.000 118.41288 ? 390 LYS A HZ1  1 
ATOM   1049 H  HZ2  . LYS A 1 71  ? -12.22800 -15.16400 25.04300  1.000 118.41288 ? 390 LYS A HZ2  1 
ATOM   1050 H  HZ3  . LYS A 1 71  ? -11.64900 -16.16200 25.92600  1.000 118.41288 ? 390 LYS A HZ3  1 
ATOM   1051 N  N    . ALA A 1 72  ? -18.06800 -19.60800 25.18200  1.000 56.34235  ? 391 ALA A N    1 
ATOM   1052 C  CA   . ALA A 1 72  ? -19.25200 -19.11600 24.49700  1.000 34.52021  ? 391 ALA A CA   1 
ATOM   1053 C  C    . ALA A 1 72  ? -18.86500 -18.07600 23.44700  1.000 48.13714  ? 391 ALA A C    1 
ATOM   1054 O  O    . ALA A 1 72  ? -17.75500 -17.53200 23.44400  1.000 47.24840  ? 391 ALA A O    1 
ATOM   1055 C  CB   . ALA A 1 72  ? -20.24800 -18.53300 25.49800  1.000 59.05303  ? 391 ALA A CB   1 
ATOM   1056 H  H    . ALA A 1 72  ? -18.02300 -19.39800 26.01500  1.000 67.65938  ? 391 ALA A H    1 
ATOM   1057 H  HA   . ALA A 1 72  ? -19.68000 -19.86000 24.04500  1.000 41.47281  ? 391 ALA A HA   1 
ATOM   1058 H  HB1  . ALA A 1 72  ? -21.03100 -18.21000 25.02500  1.000 70.91219  ? 391 ALA A HB1  1 
ATOM   1059 H  HB2  . ALA A 1 72  ? -20.51300 -19.22000 26.12900  1.000 70.91219  ? 391 ALA A HB2  1 
ATOM   1060 H  HB3  . ALA A 1 72  ? -19.83400 -17.79800 25.97600  1.000 70.91219  ? 391 ALA A HB3  1 
ATOM   1061 N  N    . CYS A 1 73  ? -19.79700 -17.86900 22.52600  1.000 32.60666  ? 392 CYS A N    1 
ATOM   1062 C  CA   . CYS A 1 73  ? -19.52500 -16.92000 21.42800  1.000 46.10859  ? 392 CYS A CA   1 
ATOM   1063 C  C    . CYS A 1 73  ? -20.51700 -15.76500 21.48200  1.000 41.58701  ? 392 CYS A C    1 
ATOM   1064 O  O    . CYS A 1 73  ? -21.67100 -16.00000 21.84600  1.000 38.92884  ? 392 CYS A O    1 
ATOM   1065 C  CB   . CYS A 1 73  ? -19.60700 -17.61300 20.07600  1.000 38.50558  ? 392 CYS A CB   1 
ATOM   1066 S  SG   . CYS A 1 73  ? -18.03400 -18.30500 19.51100  1.000 98.94470  ? 392 CYS A SG   1 
ATOM   1067 H  H    . CYS A 1 73  ? -20.56900 -18.24700 22.50800  1.000 39.17655  ? 392 CYS A H    1 
ATOM   1068 H  HA   . CYS A 1 73  ? -18.62500 -16.57600 21.53900  1.000 55.37886  ? 392 CYS A HA   1 
ATOM   1069 H  HB2  . CYS A 1 73  ? -20.26400 -18.32500 20.12700  1.000 46.25525  ? 392 CYS A HB2  1 
ATOM   1070 H  HB3  . CYS A 1 73  ? -19.92700 -16.97800 19.41600  1.000 46.25525  ? 392 CYS A HB3  1 
ATOM   1071 N  N    . CYS A 1 74  ? -20.05000 -14.57200 21.14700  1.000 50.77375  ? 393 CYS A N    1 
ATOM   1072 C  CA   . CYS A 1 74  ? -20.87300 -13.36500 21.08800  1.000 34.32467  ? 393 CYS A CA   1 
ATOM   1073 C  C    . CYS A 1 74  ? -21.45200 -13.27000 19.68200  1.000 46.69176  ? 393 CYS A C    1 
ATOM   1074 O  O    . CYS A 1 74  ? -20.75200 -12.91700 18.73100  1.000 51.21326  ? 393 CYS A O    1 
ATOM   1075 C  CB   . CYS A 1 74  ? -20.04000 -12.13900 21.44800  1.000 51.32573  ? 393 CYS A CB   1 
ATOM   1076 S  SG   . CYS A 1 74  ? -20.89200 -10.54700 21.36300  1.000 61.08390  ? 393 CYS A SG   1 
ATOM   1077 H  H    . CYS A 1 74  ? -19.22600 -14.43400 20.94200  1.000 60.97706  ? 393 CYS A H    1 
ATOM   1078 H  HA   . CYS A 1 74  ? -21.59800 -13.40500 21.73100  1.000 41.23816  ? 393 CYS A HA   1 
ATOM   1079 H  HB2  . CYS A 1 74  ? -19.69900 -12.25500 22.34900  1.000 61.63944  ? 393 CYS A HB2  1 
ATOM   1080 H  HB3  . CYS A 1 74  ? -19.27200 -12.10700 20.85600  1.000 61.63944  ? 393 CYS A HB3  1 
ATOM   1081 N  N    . VAL A 1 75  ? -22.73600 -13.59000 19.54700  1.000 34.26093  ? 394 VAL A N    1 
ATOM   1082 C  CA   . VAL A 1 75  ? -23.36400 -13.71200 18.23200  1.000 46.54581  ? 394 VAL A CA   1 
ATOM   1083 C  C    . VAL A 1 75  ? -24.63300 -12.87200 18.20900  1.000 48.34395  ? 394 VAL A C    1 
ATOM   1084 O  O    . VAL A 1 75  ? -25.19000 -12.52400 19.26300  1.000 38.60779  ? 394 VAL A O    1 
ATOM   1085 C  CB   . VAL A 1 75  ? -23.67800 -15.18600 17.88600  1.000 44.74827  ? 394 VAL A CB   1 
ATOM   1086 C  CG1  . VAL A 1 75  ? -22.39500 -15.97100 17.68700  1.000 60.66089  ? 394 VAL A CG1  1 
ATOM   1087 C  CG2  . VAL A 1 75  ? -24.52900 -15.81300 18.97700  1.000 36.76503  ? 394 VAL A CG2  1 
ATOM   1088 H  H    . VAL A 1 75  ? -23.26500 -13.74200 20.20800  1.000 41.16167  ? 394 VAL A H    1 
ATOM   1089 H  HA   . VAL A 1 75  ? -22.74500 -13.38800 17.55900  1.000 55.90353  ? 394 VAL A HA   1 
ATOM   1090 H  HB   . VAL A 1 75  ? -24.17800 -15.21000 17.05500  1.000 53.74648  ? 394 VAL A HB   1 
ATOM   1091 H  HG11 . VAL A 1 75  ? -22.60900 -16.89200 17.47100  1.000 72.84163  ? 394 VAL A HG11 1 
ATOM   1092 H  HG12 . VAL A 1 75  ? -21.88500 -15.57900 16.96100  1.000 72.84163  ? 394 VAL A HG12 1 
ATOM   1093 H  HG13 . VAL A 1 75  ? -21.86900 -15.94400 18.50200  1.000 72.84163  ? 394 VAL A HG13 1 
ATOM   1094 H  HG21 . VAL A 1 75  ? -24.71900 -16.73600 18.74900  1.000 44.16659  ? 394 VAL A HG21 1 
ATOM   1095 H  HG22 . VAL A 1 75  ? -24.05000 -15.78100 19.82000  1.000 44.16659  ? 394 VAL A HG22 1 
ATOM   1096 H  HG23 . VAL A 1 75  ? -25.36200 -15.32300 19.06000  1.000 44.16659  ? 394 VAL A HG23 1 
ATOM   1097 N  N    . PRO A 1 76  ? -25.10900 -12.51600 17.01600  1.000 42.91323  ? 395 PRO A N    1 
ATOM   1098 C  CA   . PRO A 1 76  ? -26.41100 -11.84400 16.91200  1.000 38.99561  ? 395 PRO A CA   1 
ATOM   1099 C  C    . PRO A 1 76  ? -27.54100 -12.75300 17.37000  1.000 41.00161  ? 395 PRO A C    1 
ATOM   1100 O  O    . PRO A 1 76  ? -27.65300 -13.90300 16.94000  1.000 50.89920  ? 395 PRO A O    1 
ATOM   1101 C  CB   . PRO A 1 76  ? -26.52200 -11.51600 15.41900  1.000 35.91858  ? 395 PRO A CB   1 
ATOM   1102 C  CG   . PRO A 1 76  ? -25.11300 -11.47900 14.93600  1.000 45.50720  ? 395 PRO A CG   1 
ATOM   1103 C  CD   . PRO A 1 76  ? -24.38400 -12.51500 15.73400  1.000 33.99822  ? 395 PRO A CD   1 
ATOM   1104 H  HA   . PRO A 1 76  ? -26.47700 -11.05700 17.47500  1.000 46.84329  ? 395 PRO A HA   1 
ATOM   1105 H  HB2  . PRO A 1 76  ? -27.03900 -12.18800 14.94800  1.000 43.15086  ? 395 PRO A HB2  1 
ATOM   1106 H  HB3  . PRO A 1 76  ? -26.96600 -10.66500 15.27700  1.000 43.15086  ? 395 PRO A HB3  1 
ATOM   1107 H  HG2  . PRO A 1 76  ? -25.06500 -11.67300 13.98700  1.000 54.65720  ? 395 PRO A HG2  1 
ATOM   1108 H  HG3  . PRO A 1 76  ? -24.72300 -10.60100 15.06600  1.000 54.65720  ? 395 PRO A HG3  1 
ATOM   1109 H  HD2  . PRO A 1 76  ? -24.41200 -13.38400 15.30500  1.000 40.84643  ? 395 PRO A HD2  1 
ATOM   1110 H  HD3  . PRO A 1 76  ? -23.44900 -12.28600 15.85000  1.000 40.84643  ? 395 PRO A HD3  1 
ATOM   1111 N  N    . THR A 1 77  ? -28.38400 -12.22300 18.25500  1.000 40.11654  ? 396 THR A N    1 
ATOM   1112 C  CA   . THR A 1 77  ? -29.55400 -12.93800 18.74100  1.000 44.73880  ? 396 THR A CA   1 
ATOM   1113 C  C    . THR A 1 77  ? -30.85500 -12.43300 18.13700  1.000 39.33987  ? 396 THR A C    1 
ATOM   1114 O  O    . THR A 1 77  ? -31.87900 -13.11700 18.25100  1.000 41.95027  ? 396 THR A O    1 
ATOM   1115 C  CB   . THR A 1 77  ? -29.63500 -12.84700 20.27200  1.000 33.23718  ? 396 THR A CB   1 
ATOM   1116 O  OG1  . THR A 1 77  ? -29.74100 -11.47400 20.66500  1.000 51.66311  ? 396 THR A OG1  1 
ATOM   1117 C  CG2  . THR A 1 77  ? -28.39000 -13.44900 20.89900  1.000 46.88131  ? 396 THR A CG2  1 
ATOM   1118 H  H    . THR A 1 77  ? -28.29000 -11.43600 18.58900  1.000 48.18840  ? 396 THR A H    1 
ATOM   1119 H  HA   . THR A 1 77  ? -29.44500 -13.86100 18.46300  1.000 53.73512  ? 396 THR A HA   1 
ATOM   1120 H  HB   . THR A 1 77  ? -30.41500 -13.33800 20.57400  1.000 39.93317  ? 396 THR A HB   1 
ATOM   1121 H  HG1  . THR A 1 77  ? -29.34100 -10.99100 20.10700  1.000 62.04429  ? 396 THR A HG1  1 
ATOM   1122 H  HG21 . THR A 1 77  ? -28.45100 -13.38600 21.86500  1.000 56.30613  ? 396 THR A HG21 1 
ATOM   1123 H  HG22 . THR A 1 77  ? -28.31500 -14.38100 20.64000  1.000 56.30613  ? 396 THR A HG22 1 
ATOM   1124 H  HG23 . THR A 1 77  ? -27.60700 -12.96500 20.59300  1.000 56.30613  ? 396 THR A HG23 1 
ATOM   1125 N  N    . LYS A 1 78  ? -30.84400 -11.26200 17.50500  1.000 37.73851  ? 397 LYS A N    1 
ATOM   1126 C  CA   . LYS A 1 78  ? -32.00400 -10.73700 16.80300  1.000 56.96489  ? 397 LYS A CA   1 
ATOM   1127 C  C    . LYS A 1 78  ? -31.51300 -9.95400  15.59500  1.000 46.25616  ? 397 LYS A C    1 
ATOM   1128 O  O    . LYS A 1 78  ? -30.53800 -9.20400  15.69100  1.000 43.94276  ? 397 LYS A O    1 
ATOM   1129 C  CB   . LYS A 1 78  ? -32.86000 -9.84500  17.70900  1.000 78.91117  ? 397 LYS A CB   1 
ATOM   1130 C  CG   . LYS A 1 78  ? -34.14800 -9.36000  17.06200  1.000 93.61422  ? 397 LYS A CG   1 
ATOM   1131 C  CD   . LYS A 1 78  ? -34.93600 -8.45700  17.99700  1.000 91.59528  ? 397 LYS A CD   1 
ATOM   1132 C  CE   . LYS A 1 78  ? -36.25200 -8.02800  17.36800  1.000 95.33099  ? 397 LYS A CE   1 
ATOM   1133 N  NZ   . LYS A 1 78  ? -36.04700 -7.31300  16.07700  1.000 94.53905  ? 397 LYS A NZ   1 
ATOM   1134 H  H    . LYS A 1 78  ? -30.15500 -10.74800 17.47300  1.000 45.33478  ? 397 LYS A H    1 
ATOM   1135 H  HA   . LYS A 1 78  ? -32.56800 -11.47500 16.52200  1.000 68.40643  ? 397 LYS A HA   1 
ATOM   1136 H  HB2  . LYS A 1 78  ? -33.07900 -10.33600 18.51600  1.000 94.74197  ? 397 LYS A HB2  1 
ATOM   1137 H  HB3  . LYS A 1 78  ? -32.33500 -9.07500  17.97900  1.000 94.74197  ? 397 LYS A HB3  1 
ATOM   1138 H  HG2  . LYS A 1 78  ? -33.94000 -8.88000  16.24500  1.000 112.38563 ? 397 LYS A HG2  1 
ATOM   1139 H  HG3  . LYS A 1 78  ? -34.69300 -10.12300 16.81200  1.000 112.38563 ? 397 LYS A HG3  1 
ATOM   1140 H  HD2  . LYS A 1 78  ? -35.10900 -8.92200  18.83000  1.000 109.96290 ? 397 LYS A HD2  1 
ATOM   1141 H  HD3  . LYS A 1 78  ? -34.40800 -7.67300  18.21500  1.000 109.96290 ? 397 LYS A HD3  1 
ATOM   1142 H  HE2  . LYS A 1 78  ? -36.80800 -8.80900  17.22000  1.000 114.44575 ? 397 LYS A HE2  1 
ATOM   1143 H  HE3  . LYS A 1 78  ? -36.73100 -7.45100  17.98400  1.000 114.44575 ? 397 LYS A HE3  1 
ATOM   1144 H  HZ1  . LYS A 1 78  ? -36.78800 -6.86800  15.86300  1.000 113.49542 ? 397 LYS A HZ1  1 
ATOM   1145 H  HZ2  . LYS A 1 78  ? -35.37100 -6.74000  16.15900  1.000 113.49542 ? 397 LYS A HZ2  1 
ATOM   1146 H  HZ3  . LYS A 1 78  ? -35.86000 -7.90300  15.43700  1.000 113.49542 ? 397 LYS A HZ3  1 
ATOM   1147 N  N    . LEU A 1 79  ? -32.16300 -10.15700 14.45200  1.000 50.22409  ? 398 LEU A N    1 
ATOM   1148 C  CA   . LEU A 1 79  ? -31.72800 -9.49700  13.19800  1.000 30.30177  ? 398 LEU A CA   1 
ATOM   1149 C  C    . LEU A 1 79  ? -32.84400 -8.61400  12.66000  1.000 28.76465  ? 398 LEU A C    1 
ATOM   1150 O  O    . LEU A 1 79  ? -34.00900 -8.93900  12.87700  1.000 49.42142  ? 398 LEU A O    1 
ATOM   1151 C  CB   . LEU A 1 79  ? -31.39000 -10.57500 12.17300  1.000 27.93660  ? 398 LEU A CB   1 
ATOM   1152 C  CG   . LEU A 1 79  ? -30.24100 -11.49300 12.55100  1.000 35.49543  ? 398 LEU A CG   1 
ATOM   1153 C  CD1  . LEU A 1 79  ? -30.05400 -12.58900 11.51800  1.000 27.86652  ? 398 LEU A CD1  1 
ATOM   1154 C  CD2  . LEU A 1 79  ? -28.96700 -10.67900 12.71200  1.000 34.21174  ? 398 LEU A CD2  1 
ATOM   1155 H  H    . LEU A 1 79  ? -32.85200 -10.66500 14.37000  1.000 60.31747  ? 398 LEU A H    1 
ATOM   1156 H  HA   . LEU A 1 79  ? -30.95000 -8.94500  13.37200  1.000 36.41069  ? 398 LEU A HA   1 
ATOM   1157 H  HB2  . LEU A 1 79  ? -32.18100 -11.11600 12.02200  1.000 33.28113  ? 398 LEU A HB2  1 
ATOM   1158 H  HB3  . LEU A 1 79  ? -31.17600 -10.14400 11.33100  1.000 33.28113  ? 398 LEU A HB3  1 
ATOM   1159 H  HG   . LEU A 1 79  ? -30.45100 -11.92100 13.39600  1.000 42.64307  ? 398 LEU A HG   1 
ATOM   1160 H  HD11 . LEU A 1 79  ? -29.31600 -13.16000 11.78200  1.000 33.19703  ? 398 LEU A HD11 1 
ATOM   1161 H  HD12 . LEU A 1 79  ? -30.86500 -13.11700 11.45600  1.000 33.19703  ? 398 LEU A HD12 1 
ATOM   1162 H  HD13 . LEU A 1 79  ? -29.86100 -12.19100 10.65500  1.000 33.19703  ? 398 LEU A HD13 1 
ATOM   1163 H  HD21 . LEU A 1 79  ? -28.23500 -11.26800 12.95300  1.000 41.10265  ? 398 LEU A HD21 1 
ATOM   1164 H  HD22 . LEU A 1 79  ? -28.76000 -10.23300 11.87600  1.000 41.10265  ? 398 LEU A HD22 1 
ATOM   1165 H  HD23 . LEU A 1 79  ? -29.09200 -10.01700 13.40900  1.000 41.10265  ? 398 LEU A HD23 1 
ATOM   1166 N  N    . SER A 1 80  ? -32.47200 -7.54900  11.96700  1.000 46.26342  ? 399 SER A N    1 
ATOM   1167 C  CA   . SER A 1 80  ? -33.47000 -6.64500  11.35200  1.000 44.58742  ? 399 SER A CA   1 
ATOM   1168 C  C    . SER A 1 80  ? -33.32700 -6.71200  9.83300   1.000 60.53079  ? 399 SER A C    1 
ATOM   1169 O  O    . SER A 1 80  ? -32.23900 -7.04500  9.34800   1.000 53.52190  ? 399 SER A O    1 
ATOM   1170 C  CB   . SER A 1 80  ? -33.29800 -5.24600  11.84300  1.000 29.74179  ? 399 SER A CB   1 
ATOM   1171 O  OG   . SER A 1 80  ? -33.46200 -5.17900  13.24600  1.000 80.99735  ? 399 SER A OG   1 
ATOM   1172 H  H    . SER A 1 80  ? -31.65300 -7.32200  11.83400  1.000 55.56466  ? 399 SER A H    1 
ATOM   1173 H  HA   . SER A 1 80  ? -34.36200 -6.93100  11.60500  1.000 53.55346  ? 399 SER A HA   1 
ATOM   1174 H  HB2  . SER A 1 80  ? -32.41700 -4.92000  11.60100  1.000 35.73870  ? 399 SER A HB2  1 
ATOM   1175 H  HB3  . SER A 1 80  ? -33.94400 -4.66600  11.41000  1.000 35.73870  ? 399 SER A HB3  1 
ATOM   1176 H  HG   . SER A 1 80  ? -33.36000 -4.38600  13.50300  1.000 97.24538  ? 399 SER A HG   1 
ATOM   1177 N  N    . PRO A 1 81  ? -34.38800 -6.41200  9.06700   1.000 44.59145  ? 400 PRO A N    1 
ATOM   1178 C  CA   . PRO A 1 81  ? -34.28100 -6.41900  7.63000   1.000 39.50985  ? 400 PRO A CA   1 
ATOM   1179 C  C    . PRO A 1 81  ? -33.82900 -5.10800  6.99200   1.000 33.38911  ? 400 PRO A C    1 
ATOM   1180 O  O    . PRO A 1 81  ? -33.84400 -4.10500  7.65200   1.000 43.39840  ? 400 PRO A O    1 
ATOM   1181 C  CB   . PRO A 1 81  ? -35.74100 -6.63500  7.23300   1.000 56.00870  ? 400 PRO A CB   1 
ATOM   1182 C  CG   . PRO A 1 81  ? -36.53300 -5.92300  8.28900   1.000 38.61220  ? 400 PRO A CG   1 
ATOM   1183 C  CD   . PRO A 1 81  ? -35.73900 -6.14100  9.55500   1.000 56.98089  ? 400 PRO A CD   1 
ATOM   1184 H  HA   . PRO A 1 81  ? -33.62100 -7.06900  7.34200   1.000 47.46038  ? 400 PRO A HA   1 
ATOM   1185 H  HB2  . PRO A 1 81  ? -35.92400 -6.27300  6.35200   1.000 67.25899  ? 400 PRO A HB2  1 
ATOM   1186 H  HB3  . PRO A 1 81  ? -35.96200 -7.57900  7.20300   1.000 67.25899  ? 400 PRO A HB3  1 
ATOM   1187 H  HG2  . PRO A 1 81  ? -36.62600 -4.97900  8.08700   1.000 46.38319  ? 400 PRO A HG2  1 
ATOM   1188 H  HG3  . PRO A 1 81  ? -37.42900 -6.28600  8.36500   1.000 46.38319  ? 400 PRO A HG3  1 
ATOM   1189 H  HD2  . PRO A 1 81  ? -35.76100 -5.36000  10.13000  1.000 68.42562  ? 400 PRO A HD2  1 
ATOM   1190 H  HD3  . PRO A 1 81  ? -36.08800 -6.88400  10.07200  1.000 68.42562  ? 400 PRO A HD3  1 
ATOM   1191 N  N    . ILE A 1 82  ? -33.38600 -5.17500  5.74000   1.000 43.56083  ? 401 ILE A N    1 
ATOM   1192 C  CA   . ILE A 1 82  ? -33.07900 -3.93600  4.97200   1.000 48.96352  ? 401 ILE A CA   1 
ATOM   1193 C  C    . ILE A 1 82  ? -33.84000 -4.01900  3.65200   1.000 40.12349  ? 401 ILE A C    1 
ATOM   1194 O  O    . ILE A 1 82  ? -34.52200 -5.01800  3.41900   1.000 48.33552  ? 401 ILE A O    1 
ATOM   1195 C  CB   . ILE A 1 82  ? -31.57800 -3.73300  4.70500   1.000 50.77161  ? 401 ILE A CB   1 
ATOM   1196 C  CG1  . ILE A 1 82  ? -31.02900 -4.83900  3.81100   1.000 60.90259  ? 401 ILE A CG1  1 
ATOM   1197 C  CG2  . ILE A 1 82  ? -30.78500 -3.60400  5.98900   1.000 63.17869  ? 401 ILE A CG2  1 
ATOM   1198 C  CD1  . ILE A 1 82  ? -29.60400 -4.63000  3.35100   1.000 58.94987  ? 401 ILE A CD1  1 
ATOM   1199 H  H    . ILE A 1 82  ? -33.25400 -5.90800  5.31000   1.000 52.32156  ? 401 ILE A H    1 
ATOM   1200 H  HA   . ILE A 1 82  ? -33.35400 -3.17200  5.50200   1.000 58.80479  ? 401 ILE A HA   1 
ATOM   1201 H  HB   . ILE A 1 82  ? -31.47800 -2.89200  4.23200   1.000 60.97449  ? 401 ILE A HB   1 
ATOM   1202 H  HG12 . ILE A 1 82  ? -31.08100 -5.68100  4.29000   1.000 73.13166  ? 401 ILE A HG12 1 
ATOM   1203 H  HG13 . ILE A 1 82  ? -31.59900 -4.92000  3.03100   1.000 73.13166  ? 401 ILE A HG13 1 
ATOM   1204 H  HG21 . ILE A 1 82  ? -29.84700 -3.47800  5.77900   1.000 75.86298  ? 401 ILE A HG21 1 
ATOM   1205 H  HG22 . ILE A 1 82  ? -31.10800 -2.84100  6.49400   1.000 75.86298  ? 401 ILE A HG22 1 
ATOM   1206 H  HG23 . ILE A 1 82  ? -30.89200 -4.41000  6.51800   1.000 75.86298  ? 401 ILE A HG23 1 
ATOM   1207 H  HD11 . ILE A 1 82  ? -29.33200 -5.37300  2.79000   1.000 70.78840  ? 401 ILE A HD11 1 
ATOM   1208 H  HD12 . ILE A 1 82  ? -29.54500 -3.80500  2.84400   1.000 70.78840  ? 401 ILE A HD12 1 
ATOM   1209 H  HD13 . ILE A 1 82  ? -29.01900 -4.57700  4.12300   1.000 70.78840  ? 401 ILE A HD13 1 
ATOM   1210 N  N    . SER A 1 83  ? -33.75300 -2.97400  2.84800   1.000 43.24183  ? 402 SER A N    1 
ATOM   1211 C  CA   . SER A 1 83  ? -34.37500 -2.94700  1.53200   1.000 55.95312  ? 402 SER A CA   1 
ATOM   1212 C  C    . SER A 1 83  ? -33.28200 -2.88600  0.47700   1.000 44.87421  ? 402 SER A C    1 
ATOM   1213 O  O    . SER A 1 83  ? -32.35400 -2.07800  0.58600   1.000 52.04339  ? 402 SER A O    1 
ATOM   1214 C  CB   . SER A 1 83  ? -35.32300 -1.75500  1.38700   1.000 39.00648  ? 402 SER A CB   1 
ATOM   1215 O  OG   . SER A 1 83  ? -36.40000 -1.84400  2.30200   1.000 62.25215  ? 402 SER A OG   1 
ATOM   1216 H  H    . SER A 1 83  ? -33.32900 -2.25400  3.05000   1.000 51.93876  ? 402 SER A H    1 
ATOM   1217 H  HA   . SER A 1 83  ? -34.90400 -3.75200  1.41600   1.000 67.19231  ? 402 SER A HA   1 
ATOM   1218 H  HB2  . SER A 1 83  ? -34.83500 -0.93000  1.53700   1.000 46.85634  ? 402 SER A HB2  1 
ATOM   1219 H  HB3  . SER A 1 83  ? -35.66700 -1.72000  0.48100   1.000 46.85634  ? 402 SER A HB3  1 
ATOM   1220 H  HG   . SER A 1 83  ? -36.82800 -2.55300  2.16300   1.000 74.75114  ? 402 SER A HG   1 
ATOM   1221 N  N    . VAL A 1 84  ? -33.38700 -3.74300  -0.53600  1.000 41.74842  ? 403 VAL A N    1 
ATOM   1222 C  CA   . VAL A 1 84  ? -32.40100 -3.80500  -1.60600  1.000 50.43590  ? 403 VAL A CA   1 
ATOM   1223 C  C    . VAL A 1 84  ? -33.11400 -3.72700  -2.94800  1.000 47.37445  ? 403 VAL A C    1 
ATOM   1224 O  O    . VAL A 1 84  ? -34.26100 -4.16200  -3.09400  1.000 52.65817  ? 403 VAL A O    1 
ATOM   1225 C  CB   . VAL A 1 84  ? -31.53800 -5.08400  -1.52500  1.000 58.95476  ? 403 VAL A CB   1 
ATOM   1226 C  CG1  . VAL A 1 84  ? -30.66200 -5.05800  -0.28100  1.000 58.51987  ? 403 VAL A CG1  1 
ATOM   1227 C  CG2  . VAL A 1 84  ? -32.41800 -6.32400  -1.53700  1.000 68.35281  ? 403 VAL A CG2  1 
ATOM   1228 H  H    . VAL A 1 84  ? -34.03300 -4.30400  -0.62000  1.000 50.14666  ? 403 VAL A H    1 
ATOM   1229 H  HA   . VAL A 1 84  ? -31.79800 -3.05100  -1.50900  1.000 60.57164  ? 403 VAL A HA   1 
ATOM   1230 H  HB   . VAL A 1 84  ? -30.96000 -5.11400  -2.30400  1.000 70.79427  ? 403 VAL A HB   1 
ATOM   1231 H  HG11 . VAL A 1 84  ? -30.12700 -5.86600  -0.24500  1.000 70.27240  ? 403 VAL A HG11 1 
ATOM   1232 H  HG12 . VAL A 1 84  ? -30.07700 -4.28500  -0.31300  1.000 70.27240  ? 403 VAL A HG12 1 
ATOM   1233 H  HG13 . VAL A 1 84  ? -31.22300 -5.00600  0.50900   1.000 70.27240  ? 403 VAL A HG13 1 
ATOM   1234 H  HG21 . VAL A 1 84  ? -31.86100 -7.11700  -1.48600  1.000 82.07193  ? 403 VAL A HG21 1 
ATOM   1235 H  HG22 . VAL A 1 84  ? -33.01900 -6.30200  -0.77600  1.000 82.07193  ? 403 VAL A HG22 1 
ATOM   1236 H  HG23 . VAL A 1 84  ? -32.93600 -6.34600  -2.35700  1.000 82.07193  ? 403 VAL A HG23 1 
ATOM   1237 N  N    . LEU A 1 85  ? -32.42200 -3.15800  -3.93100  1.000 51.59822  ? 404 LEU A N    1 
ATOM   1238 C  CA   . LEU A 1 85  ? -32.90300 -3.07400  -5.30600  1.000 52.94861  ? 404 LEU A CA   1 
ATOM   1239 C  C    . LEU A 1 85  ? -32.10500 -4.07000  -6.13700  1.000 60.81991  ? 404 LEU A C    1 
ATOM   1240 O  O    . LEU A 1 85  ? -30.91100 -3.86700  -6.38100  1.000 60.17415  ? 404 LEU A O    1 
ATOM   1241 C  CB   . LEU A 1 85  ? -32.76100 -1.65500  -5.85200  1.000 50.39401  ? 404 LEU A CB   1 
ATOM   1242 C  CG   . LEU A 1 85  ? -33.24400 -1.42700  -7.28500  1.000 61.56243  ? 404 LEU A CG   1 
ATOM   1243 C  CD1  . LEU A 1 85  ? -34.73400 -1.70500  -7.39900  1.000 60.35379  ? 404 LEU A CD1  1 
ATOM   1244 C  CD2  . LEU A 1 85  ? -32.92200 -0.01400  -7.74500  1.000 51.65066  ? 404 LEU A CD2  1 
ATOM   1245 H  H    . LEU A 1 85  ? -31.64700 -2.80400  -3.81500  1.000 61.96642  ? 404 LEU A H    1 
ATOM   1246 H  HA   . LEU A 1 85  ? -33.84800 -3.29100  -5.34500  1.000 63.58689  ? 404 LEU A HA   1 
ATOM   1247 H  HB2  . LEU A 1 85  ? -33.24900 -1.05400  -5.26700  1.000 60.52137  ? 404 LEU A HB2  1 
ATOM   1248 H  HB3  . LEU A 1 85  ? -31.82600 -1.40200  -5.80200  1.000 60.52137  ? 404 LEU A HB3  1 
ATOM   1249 H  HG   . LEU A 1 85  ? -32.77500 -2.04700  -7.86500  1.000 73.92348  ? 404 LEU A HG   1 
ATOM   1250 H  HD11 . LEU A 1 85  ? -35.02200 -1.55600  -8.31300  1.000 72.47311  ? 404 LEU A HD11 1 
ATOM   1251 H  HD12 . LEU A 1 85  ? -34.91100 -2.62600  -7.15100  1.000 72.47311  ? 404 LEU A HD12 1 
ATOM   1252 H  HD13 . LEU A 1 85  ? -35.22000 -1.11100  -6.80600  1.000 72.47311  ? 404 LEU A HD13 1 
ATOM   1253 H  HD21 . LEU A 1 85  ? -33.23600 0.11000   -8.65400  1.000 62.02935  ? 404 LEU A HD21 1 
ATOM   1254 H  HD22 . LEU A 1 85  ? -33.36200 0.62400   -7.16200  1.000 62.02935  ? 404 LEU A HD22 1 
ATOM   1255 H  HD23 . LEU A 1 85  ? -31.96300 0.12600   -7.71300  1.000 62.02935  ? 404 LEU A HD23 1 
ATOM   1256 N  N    . TYR A 1 86  ? -32.75700 -5.17800  -6.47400  1.000 54.70143  ? 405 TYR A N    1 
ATOM   1257 C  CA   . TYR A 1 86  ? -32.04900 -6.27800  -7.16000  1.000 60.94410  ? 405 TYR A CA   1 
ATOM   1258 C  C    . TYR A 1 86  ? -32.48900 -6.44900  -8.61000  1.000 59.54897  ? 405 TYR A C    1 
ATOM   1259 O  O    . TYR A 1 86  ? -33.56100 -5.95500  -9.00100  1.000 58.87453  ? 405 TYR A O    1 
ATOM   1260 C  CB   . TYR A 1 86  ? -32.32100 -7.59200  -6.43000  1.000 74.81862  ? 405 TYR A CB   1 
ATOM   1261 C  CG   . TYR A 1 86  ? -33.73900 -8.09900  -6.47000  1.000 60.36401  ? 405 TYR A CG   1 
ATOM   1262 C  CD1  . TYR A 1 86  ? -34.66400 -7.70000  -5.52200  1.000 71.68990  ? 405 TYR A CD1  1 
ATOM   1263 C  CD2  . TYR A 1 86  ? -34.14300 -9.01700  -7.42200  1.000 52.88606  ? 405 TYR A CD2  1 
ATOM   1264 C  CE1  . TYR A 1 86  ? -35.96500 -8.17000  -5.54000  1.000 85.14162  ? 405 TYR A CE1  1 
ATOM   1265 C  CE2  . TYR A 1 86  ? -35.44000 -9.49800  -7.45600  1.000 78.70174  ? 405 TYR A CE2  1 
ATOM   1266 C  CZ   . TYR A 1 86  ? -36.35200 -9.07600  -6.50900  1.000 75.02993  ? 405 TYR A CZ   1 
ATOM   1267 O  OH   . TYR A 1 86  ? -37.63900 -9.55100  -6.53100  1.000 98.93036  ? 405 TYR A OH   1 
ATOM   1268 H  H    . TYR A 1 86  ? -33.59200 -5.32000  -6.32200  1.000 65.69028  ? 405 TYR A H    1 
ATOM   1269 H  HA   . TYR A 1 86  ? -31.10600 -6.05100  -7.15100  1.000 73.18148  ? 405 TYR A HA   1 
ATOM   1270 H  HB2  . TYR A 1 86  ? -31.74300 -8.27400  -6.80700  1.000 89.83090  ? 405 TYR A HB2  1 
ATOM   1271 H  HB3  . TYR A 1 86  ? -32.06300 -7.48300  -5.50100  1.000 89.83090  ? 405 TYR A HB3  1 
ATOM   1272 H  HD1  . TYR A 1 86  ? -34.40600 -7.10300  -4.85800  1.000 86.07644  ? 405 TYR A HD1  1 
ATOM   1273 H  HD2  . TYR A 1 86  ? -33.53000 -9.31800  -8.05300  1.000 63.51183  ? 405 TYR A HD2  1 
ATOM   1274 H  HE1  . TYR A 1 86  ? -36.57600 -7.87800  -4.90300  1.000 102.21851 ? 405 TYR A HE1  1 
ATOM   1275 H  HE2  . TYR A 1 86  ? -35.69600 -10.10300 -8.11400  1.000 94.49065  ? 405 TYR A HE2  1 
ATOM   1276 H  HH   . TYR A 1 86  ? -38.17200 -8.92600  -6.35300  1.000 118.76499 ? 405 TYR A HH   1 
ATOM   1277 N  N    . LYS A 1 87  ? -31.68100 -7.19100  -9.36200  1.000 105.41429 ? 406 LYS A N    1 
ATOM   1278 C  CA   . LYS A 1 87  ? -31.98900 -7.44600  -10.78800 1.000 97.58451  ? 406 LYS A CA   1 
ATOM   1279 C  C    . LYS A 1 87  ? -32.98200 -8.60400  -10.91000 1.000 104.39478 ? 406 LYS A C    1 
ATOM   1280 O  O    . LYS A 1 87  ? -32.67200 -9.69500  -10.41000 1.000 94.44723  ? 406 LYS A O    1 
ATOM   1281 C  CB   . LYS A 1 87  ? -30.69700 -7.72000  -11.56200 1.000 121.28943 ? 406 LYS A CB   1 
ATOM   1282 C  CG   . LYS A 1 87  ? -29.74600 -6.54100  -11.68700 1.000 96.16976  ? 406 LYS A CG   1 
ATOM   1283 C  CD   . LYS A 1 87  ? -28.47500 -6.86000  -12.43600 1.000 102.52861 ? 406 LYS A CD   1 
ATOM   1284 C  CE   . LYS A 1 87  ? -27.55100 -5.67000  -12.57200 1.000 113.86388 ? 406 LYS A CE   1 
ATOM   1285 N  NZ   . LYS A 1 87  ? -26.30700 -6.03000  -13.29100 1.000 118.33011 ? 406 LYS A NZ   1 
ATOM   1286 H  H    . LYS A 1 87  ? -30.95600 -7.55600  -9.07900  1.000 126.54570 ? 406 LYS A H    1 
ATOM   1287 H  HA   . LYS A 1 87  ? -32.40400 -6.66000  -11.17700 1.000 117.14997 ? 406 LYS A HA   1 
ATOM   1288 H  HB2  . LYS A 1 87  ? -30.22700 -8.45000  -11.12800 1.000 145.59587 ? 406 LYS A HB2  1 
ATOM   1289 H  HB3  . LYS A 1 87  ? -30.93100 -8.02300  -12.45300 1.000 145.59587 ? 406 LYS A HB3  1 
ATOM   1290 H  HG2  . LYS A 1 87  ? -30.20300 -5.81400  -12.13800 1.000 115.45227 ? 406 LYS A HG2  1 
ATOM   1291 H  HG3  . LYS A 1 87  ? -29.51700 -6.22500  -10.79900 1.000 115.45227 ? 406 LYS A HG3  1 
ATOM   1292 H  HD2  . LYS A 1 87  ? -28.00700 -7.57500  -11.97800 1.000 123.08289 ? 406 LYS A HD2  1 
ATOM   1293 H  HD3  . LYS A 1 87  ? -28.70100 -7.19000  -13.32000 1.000 123.08289 ? 406 LYS A HD3  1 
ATOM   1294 H  HE2  . LYS A 1 87  ? -28.00600 -4.95800  -13.04700 1.000 136.68521 ? 406 LYS A HE2  1 
ATOM   1295 H  HE3  . LYS A 1 87  ? -27.33000 -5.32800  -11.69200 1.000 136.68521 ? 406 LYS A HE3  1 
ATOM   1296 H  HZ1  . LYS A 1 87  ? -25.62000 -5.59200  -12.93300 1.000 142.04469 ? 406 LYS A HZ1  1 
ATOM   1297 H  HZ2  . LYS A 1 87  ? -26.16800 -6.90600  -13.22300 1.000 142.04469 ? 406 LYS A HZ2  1 
ATOM   1298 H  HZ3  . LYS A 1 87  ? -26.38500 -5.80800  -14.14900 1.000 142.04469 ? 406 LYS A HZ3  1 
ATOM   1299 N  N    . ASP A 1 88  ? -34.12000 -8.37200  -11.56800 1.000 113.79855 ? 407 ASP A N    1 
ATOM   1300 C  CA   . ASP A 1 88  ? -35.09900 -9.46800  -11.78800 1.000 120.67402 ? 407 ASP A CA   1 
ATOM   1301 C  C    . ASP A 1 88  ? -34.50600 -10.44300 -12.80600 1.000 145.09864 ? 407 ASP A C    1 
ATOM   1302 O  O    . ASP A 1 88  ? -33.47300 -10.10800 -13.41500 1.000 141.55107 ? 407 ASP A O    1 
ATOM   1303 C  CB   . ASP A 1 88  ? -36.48900 -8.95000  -12.15100 1.000 130.63596 ? 407 ASP A CB   1 
ATOM   1304 C  CG   . ASP A 1 88  ? -37.60000 -9.93500  -11.83600 1.000 135.21554 ? 407 ASP A CG   1 
ATOM   1305 O  OD1  . ASP A 1 88  ? -37.31300 -10.94300 -11.16400 1.000 134.60164 ? 407 ASP A OD1  1 
ATOM   1306 O  OD2  . ASP A 1 88  ? -38.74100 -9.68900  -12.27100 1.000 121.66376 ? 407 ASP A OD2  1 
ATOM   1307 H  H    . ASP A 1 88  ? -34.35000 -7.60900  -11.89200 1.000 136.60682 ? 407 ASP A H    1 
ATOM   1308 H  HA   . ASP A 1 88  ? -35.24900 -9.95000  -10.95900 1.000 144.85738 ? 407 ASP A HA   1 
ATOM   1309 H  HB2  . ASP A 1 88  ? -36.65400 -8.12300  -11.67200 1.000 156.81171 ? 407 ASP A HB2  1 
ATOM   1310 H  HB3  . ASP A 1 88  ? -36.51100 -8.73900  -13.09800 1.000 156.81171 ? 407 ASP A HB3  1 
ATOM   1311 N  N    . ASP A 1 89  ? -35.14800 -11.59500 -12.99400 1.000 147.64954 ? 408 ASP A N    1 
ATOM   1312 C  CA   . ASP A 1 89  ? -34.62200 -12.59800 -13.95600 1.000 131.09122 ? 408 ASP A CA   1 
ATOM   1313 C  C    . ASP A 1 89  ? -34.67100 -12.03600 -15.37600 1.000 109.09948 ? 408 ASP A C    1 
ATOM   1314 O  O    . ASP A 1 89  ? -34.02600 -12.62900 -16.25400 1.000 123.64683 ? 408 ASP A O    1 
ATOM   1315 C  CB   . ASP A 1 89  ? -35.36700 -13.92600 -13.81400 1.000 133.01778 ? 408 ASP A CB   1 
ATOM   1316 C  CG   . ASP A 1 89  ? -34.99200 -14.66600 -12.54200 1.000 133.61348 ? 408 ASP A CG   1 
ATOM   1317 O  OD1  . ASP A 1 89  ? -34.17400 -14.12400 -11.77300 1.000 92.88057  ? 408 ASP A OD1  1 
ATOM   1318 O  OD2  . ASP A 1 89  ? -35.51700 -15.77600 -12.33300 1.000 126.54292 ? 408 ASP A OD2  1 
ATOM   1319 H  H    . ASP A 1 89  ? -35.87300 -11.82200 -12.59100 1.000 177.22801 ? 408 ASP A H    1 
ATOM   1320 H  HA   . ASP A 1 89  ? -33.69200 -12.78400 -13.75400 1.000 157.35802 ? 408 ASP A HA   1 
ATOM   1321 H  HB2  . ASP A 1 89  ? -36.32300 -13.76000 -13.81900 1.000 159.66990 ? 408 ASP A HB2  1 
ATOM   1322 H  HB3  . ASP A 1 89  ? -35.17200 -14.48700 -14.58100 1.000 159.66990 ? 408 ASP A HB3  1 
ATOM   1323 N  N    . MET A 1 90  ? -35.38900 -10.93500 -15.59300 1.000 131.11459 ? 409 MET A N    1 
ATOM   1324 C  CA   . MET A 1 90  ? -35.39400 -10.33300 -16.92000 1.000 152.22072 ? 409 MET A CA   1 
ATOM   1325 C  C    . MET A 1 90  ? -34.71600 -8.96800  -16.92700 1.000 158.97109 ? 409 MET A C    1 
ATOM   1326 O  O    . MET A 1 90  ? -34.98900 -8.14600  -17.80800 1.000 130.20277 ? 409 MET A O    1 
ATOM   1327 C  CB   . MET A 1 90  ? -36.82600 -10.23000 -17.44400 1.000 168.04347 ? 409 MET A CB   1 
ATOM   1328 C  CG   . MET A 1 90  ? -37.44600 -11.58000 -17.77800 1.000 181.24957 ? 409 MET A CG   1 
ATOM   1329 S  SD   . MET A 1 90  ? -39.07600 -11.41600 -18.53000 1.000 210.31979 ? 409 MET A SD   1 
ATOM   1330 C  CE   . MET A 1 90  ? -39.54900 -13.13700 -18.68500 1.000 175.08078 ? 409 MET A CE   1 
ATOM   1331 H  H    . MET A 1 90  ? -35.86700 -10.53200 -15.00200 1.000 157.38607 ? 409 MET A H    1 
ATOM   1332 H  HA   . MET A 1 90  ? -34.88200 -10.90900 -17.51000 1.000 182.71342 ? 409 MET A HA   1 
ATOM   1333 H  HB2  . MET A 1 90  ? -37.37500 -9.78500  -16.78000 1.000 201.70072 ? 409 MET A HB2  1 
ATOM   1334 H  HB3  . MET A 1 90  ? -36.83400 -9.67300  -18.23800 1.000 201.70072 ? 409 MET A HB3  1 
ATOM   1335 H  HG2  . MET A 1 90  ? -36.86000 -12.06200 -18.38200 1.000 217.54804 ? 409 MET A HG2  1 
ATOM   1336 H  HG3  . MET A 1 90  ? -37.51700 -12.11000 -16.96900 1.000 217.54804 ? 409 MET A HG3  1 
ATOM   1337 H  HE1  . MET A 1 90  ? -40.43000 -13.19600 -19.08600 1.000 210.14550 ? 409 MET A HE1  1 
ATOM   1338 H  HE2  . MET A 1 90  ? -38.90700 -13.60000 -19.24600 1.000 210.14550 ? 409 MET A HE2  1 
ATOM   1339 H  HE3  . MET A 1 90  ? -39.56600 -13.54800 -17.80700 1.000 210.14550 ? 409 MET A HE3  1 
ATOM   1340 N  N    . GLY A 1 91  ? -33.83900 -8.70900  -15.96000 1.000 144.92870 ? 410 GLY A N    1 
ATOM   1341 C  CA   . GLY A 1 91  ? -33.11600 -7.45400  -15.91200 1.000 135.87387 ? 410 GLY A CA   1 
ATOM   1342 C  C    . GLY A 1 91  ? -33.91400 -6.26500  -15.43300 1.000 140.39084 ? 410 GLY A C    1 
ATOM   1343 O  O    . GLY A 1 91  ? -33.50300 -5.12500  -15.66800 1.000 139.34458 ? 410 GLY A O    1 
ATOM   1344 H  H    . GLY A 1 91  ? -33.65100 -9.25400  -15.32100 1.000 173.96300 ? 410 GLY A H    1 
ATOM   1345 H  HA2  . GLY A 1 91  ? -32.34700 -7.56300  -15.33100 1.000 163.09720 ? 410 GLY A HA2  1 
ATOM   1346 H  HA3  . GLY A 1 91  ? -32.77600 -7.26000  -16.79900 1.000 163.09720 ? 410 GLY A HA3  1 
ATOM   1347 N  N    . VAL A 1 92  ? -35.03900 -6.48900  -14.76200 1.000 136.85359 ? 411 VAL A N    1 
ATOM   1348 C  CA   . VAL A 1 92  ? -35.89100 -5.40900  -14.27800 1.000 135.78515 ? 411 VAL A CA   1 
ATOM   1349 C  C    . VAL A 1 92  ? -35.46700 -5.10300  -12.84400 1.000 128.47447 ? 411 VAL A C    1 
ATOM   1350 O  O    . VAL A 1 92  ? -35.42600 -6.02600  -12.01500 1.000 115.02253 ? 411 VAL A O    1 
ATOM   1351 C  CB   . VAL A 1 92  ? -37.37700 -5.77800  -14.36400 1.000 125.08183 ? 411 VAL A CB   1 
ATOM   1352 C  CG1  . VAL A 1 92  ? -38.21200 -4.66200  -13.76500 1.000 135.40466 ? 411 VAL A CG1  1 
ATOM   1353 C  CG2  . VAL A 1 92  ? -37.77100 -6.02700  -15.81600 1.000 133.72964 ? 411 VAL A CG2  1 
ATOM   1354 H  H    . VAL A 1 92  ? -35.33100 -7.27600  -14.57400 1.000 164.27287 ? 411 VAL A H    1 
ATOM   1355 H  HA   . VAL A 1 92  ? -35.78300 -4.62200  -14.83400 1.000 162.99074 ? 411 VAL A HA   1 
ATOM   1356 H  HB   . VAL A 1 92  ? -37.53700 -6.59200  -13.86200 1.000 150.14675 ? 411 VAL A HB   1 
ATOM   1357 H  HG11 . VAL A 1 92  ? -39.15200 -4.89600  -13.82000 1.000 162.53415 ? 411 VAL A HG11 1 
ATOM   1358 H  HG12 . VAL A 1 92  ? -37.96400 -4.53500  -12.83600 1.000 162.53415 ? 411 VAL A HG12 1 
ATOM   1359 H  HG13 . VAL A 1 92  ? -38.05500 -3.84000  -14.25600 1.000 162.53415 ? 411 VAL A HG13 1 
ATOM   1360 H  HG21 . VAL A 1 92  ? -38.71200 -6.26000  -15.86100 1.000 160.52412 ? 411 VAL A HG21 1 
ATOM   1361 H  HG22 . VAL A 1 92  ? -37.61200 -5.22400  -16.33700 1.000 160.52412 ? 411 VAL A HG22 1 
ATOM   1362 H  HG23 . VAL A 1 92  ? -37.24100 -6.75600  -16.17500 1.000 160.52412 ? 411 VAL A HG23 1 
ATOM   1363 N  N    . PRO A 1 93  ? -35.14300 -3.85000  -12.51300 1.000 109.72539 ? 412 PRO A N    1 
ATOM   1364 C  CA   . PRO A 1 93  ? -34.83500 -3.50700  -11.11800 1.000 106.97259 ? 412 PRO A CA   1 
ATOM   1365 C  C    . PRO A 1 93  ? -36.06000 -3.65600  -10.23100 1.000 85.72485  ? 412 PRO A C    1 
ATOM   1366 O  O    . PRO A 1 93  ? -37.02400 -2.89500  -10.36000 1.000 81.73816  ? 412 PRO A O    1 
ATOM   1367 C  CB   . PRO A 1 93  ? -34.36100 -2.04900  -11.20900 1.000 114.26092 ? 412 PRO A CB   1 
ATOM   1368 C  CG   . PRO A 1 93  ? -33.96400 -1.85800  -12.64300 1.000 105.51811 ? 412 PRO A CG   1 
ATOM   1369 C  CD   . PRO A 1 93  ? -34.89900 -2.72400  -13.42800 1.000 115.76172 ? 412 PRO A CD   1 
ATOM   1370 H  HA   . PRO A 1 93  ? -34.17000 -4.08800  -10.71800 1.000 128.41567 ? 412 PRO A HA   1 
ATOM   1371 H  HB2  . PRO A 1 93  ? -35.06700 -1.43400  -10.95500 1.000 137.16166 ? 412 PRO A HB2  1 
ATOM   1372 H  HB3  . PRO A 1 93  ? -33.61400 -1.88500  -10.61300 1.000 137.16166 ? 412 PRO A HB3  1 
ATOM   1373 H  HG2  . PRO A 1 93  ? -34.04200 -0.92800  -12.90700 1.000 126.67029 ? 412 PRO A HG2  1 
ATOM   1374 H  HG3  . PRO A 1 93  ? -33.04100 -2.11700  -12.78800 1.000 126.67029 ? 412 PRO A HG3  1 
ATOM   1375 H  HD2  . PRO A 1 93  ? -35.71900 -2.25800  -13.65200 1.000 138.96262 ? 412 PRO A HD2  1 
ATOM   1376 H  HD3  . PRO A 1 93  ? -34.50300 -3.01800  -14.26300 1.000 138.96262 ? 412 PRO A HD3  1 
ATOM   1377 N  N    . THR A 1 94  ? -36.03300 -4.63200  -9.32800  1.000 75.84425  ? 413 THR A N    1 
ATOM   1378 C  CA   . THR A 1 94  ? -37.13700 -4.89800  -8.42000  1.000 99.47878  ? 413 THR A CA   1 
ATOM   1379 C  C    . THR A 1 94  ? -36.70500 -4.61600  -6.98700  1.000 66.71818  ? 413 THR A C    1 
ATOM   1380 O  O    . THR A 1 94  ? -35.57800 -4.93200  -6.59500  1.000 82.47856  ? 413 THR A O    1 
ATOM   1381 C  CB   . THR A 1 94  ? -37.61900 -6.34700  -8.55100  1.000 92.04456  ? 413 THR A CB   1 
ATOM   1382 O  OG1  . THR A 1 94  ? -37.86200 -6.63400  -9.92900  1.000 118.67037 ? 413 THR A OG1  1 
ATOM   1383 C  CG2  . THR A 1 94  ? -38.88900 -6.54900  -7.75400  1.000 98.32934  ? 413 THR A CG2  1 
ATOM   1384 H  H    . THR A 1 94  ? -35.36400 -5.16300  -9.22600  1.000 91.06166  ? 413 THR A H    1 
ATOM   1385 H  HA   . THR A 1 94  ? -37.87500 -4.31300  -8.65400  1.000 119.42310 ? 413 THR A HA   1 
ATOM   1386 H  HB   . THR A 1 94  ? -36.93800 -6.94500  -8.20600  1.000 110.50203 ? 413 THR A HB   1 
ATOM   1387 H  HG1  . THR A 1 94  ? -37.21800 -6.35500  -10.39100 1.000 142.45300 ? 413 THR A HG1  1 
ATOM   1388 H  HG21 . THR A 1 94  ? -39.18500 -7.46800  -7.84400  1.000 118.04377 ? 413 THR A HG21 1 
ATOM   1389 H  HG22 . THR A 1 94  ? -38.71900 -6.35400  -6.81900  1.000 118.04377 ? 413 THR A HG22 1 
ATOM   1390 H  HG23 . THR A 1 94  ? -39.57900 -5.95400  -8.08700  1.000 118.04377 ? 413 THR A HG23 1 
ATOM   1391 N  N    . LEU A 1 95  ? -37.60300 -4.01400  -6.21100  1.000 66.37634  ? 414 LEU A N    1 
ATOM   1392 C  CA   . LEU A 1 95  ? -37.31600 -3.65700  -4.82800  1.000 59.43641  ? 414 LEU A CA   1 
ATOM   1393 C  C    . LEU A 1 95  ? -37.72600 -4.79800  -3.90500  1.000 56.45730  ? 414 LEU A C    1 
ATOM   1394 O  O    . LEU A 1 95  ? -38.88000 -5.24000  -3.92700  1.000 68.43318  ? 414 LEU A O    1 
ATOM   1395 C  CB   . LEU A 1 95  ? -38.04200 -2.37200  -4.43400  1.000 61.85494  ? 414 LEU A CB   1 
ATOM   1396 C  CG   . LEU A 1 95  ? -37.88300 -1.97000  -2.96500  1.000 55.88329  ? 414 LEU A CG   1 
ATOM   1397 C  CD1  . LEU A 1 95  ? -36.43300 -1.62800  -2.65600  1.000 47.08996  ? 414 LEU A CD1  1 
ATOM   1398 C  CD2  . LEU A 1 95  ? -38.80100 -0.81100  -2.60300  1.000 71.61985  ? 414 LEU A CD2  1 
ATOM   1399 H  H    . LEU A 1 95  ? -38.39400 -3.80200  -6.47300  1.000 79.70017  ? 414 LEU A H    1 
ATOM   1400 H  HA   . LEU A 1 95  ? -36.36200 -3.50200  -4.74100  1.000 71.37225  ? 414 LEU A HA   1 
ATOM   1401 H  HB2  . LEU A 1 95  ? -37.71700 -1.64800  -4.99200  1.000 74.27449  ? 414 LEU A HB2  1 
ATOM   1402 H  HB3  . LEU A 1 95  ? -38.98700 -2.47700  -4.62700  1.000 74.27449  ? 414 LEU A HB3  1 
ATOM   1403 H  HG   . LEU A 1 95  ? -38.14100 -2.73000  -2.42100  1.000 67.10851  ? 414 LEU A HG   1 
ATOM   1404 H  HD11 . LEU A 1 95  ? -36.35200 -1.37600  -1.72300  1.000 56.55651  ? 414 LEU A HD11 1 
ATOM   1405 H  HD12 . LEU A 1 95  ? -35.87400 -2.40100  -2.83200  1.000 56.55651  ? 414 LEU A HD12 1 
ATOM   1406 H  HD13 . LEU A 1 95  ? -36.14800 -0.88900  -3.21600  1.000 56.55651  ? 414 LEU A HD13 1 
ATOM   1407 H  HD21 . LEU A 1 95  ? -38.67800 -0.58000  -1.66900  1.000 85.99238  ? 414 LEU A HD21 1 
ATOM   1408 H  HD22 . LEU A 1 95  ? -38.58700 -0.04400  -3.15600  1.000 85.99238  ? 414 LEU A HD22 1 
ATOM   1409 H  HD23 . LEU A 1 95  ? -39.72400 -1.07000  -2.75300  1.000 85.99238  ? 414 LEU A HD23 1 
ATOM   1410 N  N    . LYS A 1 96  ? -36.77900 -5.27400  -3.10000  1.000 54.71195  ? 415 LYS A N    1 
ATOM   1411 C  CA   . LYS A 1 96  ? -37.05800 -6.21700  -2.02000  1.000 76.24787  ? 415 LYS A CA   1 
ATOM   1412 C  C    . LYS A 1 96  ? -37.18700 -5.39200  -0.74400  1.000 47.59454  ? 415 LYS A C    1 
ATOM   1413 O  O    . LYS A 1 96  ? -36.18500 -5.00600  -0.13800  1.000 48.75217  ? 415 LYS A O    1 
ATOM   1414 C  CB   . LYS A 1 96  ? -35.95900 -7.27000  -1.91100  1.000 43.65177  ? 415 LYS A CB   1 
ATOM   1415 C  CG   . LYS A 1 96  ? -36.12100 -8.25100  -0.75600  1.000 60.56600  ? 415 LYS A CG   1 
ATOM   1416 C  CD   . LYS A 1 96  ? -37.53200 -8.79300  -0.59000  1.000 60.74613  ? 415 LYS A CD   1 
ATOM   1417 C  CE   . LYS A 1 96  ? -37.57100 -10.17000 0.04100   1.000 58.43259  ? 415 LYS A CE   1 
ATOM   1418 N  NZ   . LYS A 1 96  ? -38.95100 -10.70700 0.16100   1.000 71.39854  ? 415 LYS A NZ   1 
ATOM   1419 H  H    . LYS A 1 96  ? -35.95000 -5.05700  -3.16600  1.000 65.70290  ? 415 LYS A H    1 
ATOM   1420 H  HA   . LYS A 1 96  ? -37.87700 -6.70900  -2.18700  1.000 91.54601  ? 415 LYS A HA   1 
ATOM   1421 H  HB2  . LYS A 1 96  ? -35.92600 -7.77100  -2.74100  1.000 52.43069  ? 415 LYS A HB2  1 
ATOM   1422 H  HB3  . LYS A 1 96  ? -35.10500 -6.81900  -1.81800  1.000 52.43069  ? 415 LYS A HB3  1 
ATOM   1423 H  HG2  . LYS A 1 96  ? -35.51300 -8.99500  -0.89000  1.000 72.72776  ? 415 LYS A HG2  1 
ATOM   1424 H  HG3  . LYS A 1 96  ? -35.85500 -7.81200  0.06700   1.000 72.72776  ? 415 LYS A HG3  1 
ATOM   1425 H  HD2  . LYS A 1 96  ? -38.04600 -8.17800  -0.04400  1.000 72.94392  ? 415 LYS A HD2  1 
ATOM   1426 H  HD3  . LYS A 1 96  ? -37.96300 -8.82900  -1.45800  1.000 72.94392  ? 415 LYS A HD3  1 
ATOM   1427 H  HE2  . LYS A 1 96  ? -37.03600 -10.78000 -0.49000  1.000 70.16767  ? 415 LYS A HE2  1 
ATOM   1428 H  HE3  . LYS A 1 96  ? -37.16600 -10.13000 0.92100   1.000 70.16767  ? 415 LYS A HE3  1 
ATOM   1429 H  HZ1  . LYS A 1 96  ? -39.03600 -11.13800 0.93500   1.000 85.72680  ? 415 LYS A HZ1  1 
ATOM   1430 H  HZ2  . LYS A 1 96  ? -39.53500 -10.03600 0.13000   1.000 85.72680  ? 415 LYS A HZ2  1 
ATOM   1431 H  HZ3  . LYS A 1 96  ? -39.11000 -11.27000 -0.51000  1.000 85.72680  ? 415 LYS A HZ3  1 
ATOM   1432 N  N    . TYR A 1 97  ? -38.43000 -5.11900  -0.34100  1.000 44.75055  ? 416 TYR A N    1 
ATOM   1433 C  CA   . TYR A 1 97  ? -38.66800 -4.13700  0.71300   1.000 52.69304  ? 416 TYR A CA   1 
ATOM   1434 C  C    . TYR A 1 97  ? -38.13900 -4.61300  2.06100   1.000 41.45123  ? 416 TYR A C    1 
ATOM   1435 O  O    . TYR A 1 97  ? -37.58200 -3.81900  2.82800   1.000 60.91764  ? 416 TYR A O    1 
ATOM   1436 C  CB   . TYR A 1 97  ? -40.16000 -3.81500  0.80000   1.000 60.90247  ? 416 TYR A CB   1 
ATOM   1437 C  CG   . TYR A 1 97  ? -40.48400 -2.66400  1.72500   1.000 49.53376  ? 416 TYR A CG   1 
ATOM   1438 C  CD1  . TYR A 1 97  ? -39.96200 -1.39800  1.49500   1.000 50.15991  ? 416 TYR A CD1  1 
ATOM   1439 C  CD2  . TYR A 1 97  ? -41.31800 -2.84100  2.82100   1.000 51.24130  ? 416 TYR A CD2  1 
ATOM   1440 C  CE1  . TYR A 1 97  ? -40.25400 -0.34100  2.33700   1.000 49.62421  ? 416 TYR A CE1  1 
ATOM   1441 C  CE2  . TYR A 1 97  ? -41.61900 -1.78800  3.66600   1.000 47.70529  ? 416 TYR A CE2  1 
ATOM   1442 C  CZ   . TYR A 1 97  ? -41.08300 -0.54100  3.41900   1.000 47.04741  ? 416 TYR A CZ   1 
ATOM   1443 O  OH   . TYR A 1 97  ? -41.37700 0.51000   4.25800   1.000 48.74365  ? 416 TYR A OH   1 
ATOM   1444 H  H    . TYR A 1 97  ? -39.13800 -5.48700  -0.66100  1.000 53.74921  ? 416 TYR A H    1 
ATOM   1445 H  HA   . TYR A 1 97  ? -38.18200 -3.32900  0.48400   1.000 63.28021  ? 416 TYR A HA   1 
ATOM   1446 H  HB2  . TYR A 1 97  ? -40.49000 -3.60700  -0.08800  1.000 73.13152  ? 416 TYR A HB2  1 
ATOM   1447 H  HB3  . TYR A 1 97  ? -40.63600 -4.60500  1.10200   1.000 73.13152  ? 416 TYR A HB3  1 
ATOM   1448 H  HD1  . TYR A 1 97  ? -39.40700 -1.25900  0.76200   1.000 60.24044  ? 416 TYR A HD1  1 
ATOM   1449 H  HD2  . TYR A 1 97  ? -41.68000 -3.68100  2.99000   1.000 61.53812  ? 416 TYR A HD2  1 
ATOM   1450 H  HE1  . TYR A 1 97  ? -39.89300 0.50000   2.17400   1.000 59.59761  ? 416 TYR A HE1  1 
ATOM   1451 H  HE2  . TYR A 1 97  ? -42.17900 -1.92000  4.39600   1.000 57.29491  ? 416 TYR A HE2  1 
ATOM   1452 H  HH   . TYR A 1 97  ? -41.95300 0.26800   4.82000   1.000 58.54094  ? 416 TYR A HH   1 
ATOM   1453 N  N    . HIS A 1 98  ? -38.29700 -5.90000  2.36900   1.000 44.36964  ? 417 HIS A N    1 
ATOM   1454 C  CA   . HIS A 1 98  ? -37.86000 -6.46800  3.64600   1.000 39.32908  ? 417 HIS A CA   1 
ATOM   1455 C  C    . HIS A 1 98  ? -36.95100 -7.64500  3.30100   1.000 38.12269  ? 417 HIS A C    1 
ATOM   1456 O  O    . HIS A 1 98  ? -37.41200 -8.77900  3.15700   1.000 39.80038  ? 417 HIS A O    1 
ATOM   1457 C  CB   . HIS A 1 98  ? -39.05900 -6.87900  4.50300   1.000 44.59675  ? 417 HIS A CB   1 
ATOM   1458 C  CG   . HIS A 1 98  ? -39.79500 -5.72200  5.10700   1.000 53.53940  ? 417 HIS A CG   1 
ATOM   1459 N  ND1  . HIS A 1 98  ? -39.17500 -4.53600  5.43700   1.000 49.33290  ? 417 HIS A ND1  1 
ATOM   1460 C  CD2  . HIS A 1 98  ? -41.09800 -5.57000  5.44000   1.000 43.48429  ? 417 HIS A CD2  1 
ATOM   1461 C  CE1  . HIS A 1 98  ? -40.06400 -3.70400  5.94900   1.000 61.60950  ? 417 HIS A CE1  1 
ATOM   1462 N  NE2  . HIS A 1 98  ? -41.23900 -4.30700  5.96100   1.000 44.32867  ? 417 HIS A NE2  1 
ATOM   1463 H  H    . HIS A 1 98  ? -38.66300 -6.47200  1.84100   1.000 53.29213  ? 417 HIS A H    1 
ATOM   1464 H  HA   . HIS A 1 98  ? -37.37600 -5.82000  4.18100   1.000 47.24345  ? 417 HIS A HA   1 
ATOM   1465 H  HB2  . HIS A 1 98  ? -39.67400 -7.39400  3.95800   1.000 53.56466  ? 417 HIS A HB2  1 
ATOM   1466 H  HB3  . HIS A 1 98  ? -38.75300 -7.46300  5.21400   1.000 53.56466  ? 417 HIS A HB3  1 
ATOM   1467 H  HD1  . HIS A 1 98  ? -38.34000 -4.36400  5.32700   1.000 59.24804  ? 417 HIS A HD1  1 
ATOM   1468 H  HD2  . HIS A 1 98  ? -41.77200 -6.20200  5.33600   1.000 51.93836  ? 417 HIS A HD2  1 
ATOM   1469 H  HE1  . HIS A 1 98  ? -39.89200 -2.84100  6.25000   1.000 73.97996  ? 417 HIS A HE1  1 
ATOM   1470 N  N    . TYR A 1 99  ? -35.65300 -7.37200  3.17400   1.000 49.55247  ? 418 TYR A N    1 
ATOM   1471 C  CA   . TYR A 1 99  ? -34.64800 -8.41700  2.98900   1.000 42.40441  ? 418 TYR A CA   1 
ATOM   1472 C  C    . TYR A 1 99  ? -34.15600 -8.83000  4.37100   1.000 41.96907  ? 418 TYR A C    1 
ATOM   1473 O  O    . TYR A 1 99  ? -33.29800 -8.17100  4.96200   1.000 60.57689  ? 418 TYR A O    1 
ATOM   1474 C  CB   . TYR A 1 99  ? -33.51400 -7.93100  2.09400   1.000 51.75242  ? 418 TYR A CB   1 
ATOM   1475 C  CG   . TYR A 1 99  ? -32.71200 -9.04400  1.45900   1.000 49.92900  ? 418 TYR A CG   1 
ATOM   1476 C  CD1  . TYR A 1 99  ? -33.33200 -10.02000 0.69100   1.000 54.90448  ? 418 TYR A CD1  1 
ATOM   1477 C  CD2  . TYR A 1 99  ? -31.33400 -9.10900  1.61200   1.000 67.78777  ? 418 TYR A CD2  1 
ATOM   1478 C  CE1  . TYR A 1 99  ? -32.60400 -11.03800 0.10500   1.000 62.69081  ? 418 TYR A CE1  1 
ATOM   1479 C  CE2  . TYR A 1 99  ? -30.59700 -10.12200 1.02900   1.000 51.43237  ? 418 TYR A CE2  1 
ATOM   1480 C  CZ   . TYR A 1 99  ? -31.23700 -11.08400 0.27700   1.000 56.04957  ? 418 TYR A CZ   1 
ATOM   1481 O  OH   . TYR A 1 99  ? -30.50700 -12.09500 -0.30500  1.000 81.70232  ? 418 TYR A OH   1 
ATOM   1482 H  H    . TYR A 1 99  ? -35.33100 -6.57500  3.19300   1.000 59.51152  ? 418 TYR A H    1 
ATOM   1483 H  HA   . TYR A 1 99  ? -35.03100 -9.18600  2.53900   1.000 50.93385  ? 418 TYR A HA   1 
ATOM   1484 H  HB2  . TYR A 1 99  ? -33.88400 -7.37100  1.39400   1.000 62.15146  ? 418 TYR A HB2  1 
ATOM   1485 H  HB3  . TYR A 1 99  ? -32.91800 -7.37300  2.61700   1.000 62.15146  ? 418 TYR A HB3  1 
ATOM   1486 H  HD1  . TYR A 1 99  ? -34.25300 -9.98800  0.56900   1.000 65.93393  ? 418 TYR A HD1  1 
ATOM   1487 H  HD2  . TYR A 1 99  ? -30.89900 -8.45900  2.11600   1.000 81.39388  ? 418 TYR A HD2  1 
ATOM   1488 H  HE1  . TYR A 1 99  ? -33.03400 -11.68800 -0.40200  1.000 75.27753  ? 418 TYR A HE1  1 
ATOM   1489 H  HE2  . TYR A 1 99  ? -29.67500 -10.15500 1.14300   1.000 61.76741  ? 418 TYR A HE2  1 
ATOM   1490 H  HH   . TYR A 1 99  ? -29.78200 -11.78600 -0.59500  1.000 98.09134  ? 418 TYR A HH   1 
ATOM   1491 N  N    . GLU A 1 100 ? -34.70300 -9.92800  4.88600   1.000 39.48962  ? 419 GLU A N    1 
ATOM   1492 C  CA   . GLU A 1 100 ? -34.57300 -10.25900 6.29700   1.000 51.81053  ? 419 GLU A CA   1 
ATOM   1493 C  C    . GLU A 1 100 ? -33.17200 -10.76300 6.63900   1.000 31.43104  ? 419 GLU A C    1 
ATOM   1494 O  O    . GLU A 1 100 ? -32.42900 -11.26600 5.79100   1.000 38.68354  ? 419 GLU A O    1 
ATOM   1495 C  CB   . GLU A 1 100 ? -35.60700 -11.31400 6.69300   1.000 38.30350  ? 419 GLU A CB   1 
ATOM   1496 C  CG   . GLU A 1 100 ? -37.05100 -10.86900 6.52400   1.000 37.16995  ? 419 GLU A CG   1 
ATOM   1497 C  CD   . GLU A 1 100 ? -37.45800 -9.80500  7.52500   1.000 82.76251  ? 419 GLU A CD   1 
ATOM   1498 O  OE1  . GLU A 1 100 ? -36.79000 -9.68300  8.57400   1.000 68.70456  ? 419 GLU A OE1  1 
ATOM   1499 O  OE2  . GLU A 1 100 ? -38.44800 -9.08900  7.26300   1.000 68.64382  ? 419 GLU A OE2  1 
ATOM   1500 H  H    . GLU A 1 100 ? -35.15700 -10.49700 4.42900   1.000 47.43610  ? 419 GLU A H    1 
ATOM   1501 H  HA   . GLU A 1 100 ? -34.72900 -9.44300  6.79800   1.000 62.22119  ? 419 GLU A HA   1 
ATOM   1502 H  HB2  . GLU A 1 100 ? -35.46100 -12.11100 6.16000   1.000 46.01276  ? 419 GLU A HB2  1 
ATOM   1503 H  HB3  . GLU A 1 100 ? -35.46200 -11.56200 7.62000   1.000 46.01276  ? 419 GLU A HB3  1 
ATOM   1504 H  HG2  . GLU A 1 100 ? -37.17700 -10.52700 5.62500   1.000 44.65250  ? 419 GLU A HG2  1 
ATOM   1505 H  HG3  . GLU A 1 100 ? -37.63500 -11.63700 6.61900   1.000 44.65250  ? 419 GLU A HG3  1 
ATOM   1506 N  N    . GLY A 1 101 ? -32.82200 -10.61600 7.91600   1.000 42.35694  ? 420 GLY A N    1 
ATOM   1507 C  CA   . GLY A 1 101 ? -31.60000 -11.18700 8.45400   1.000 38.91677  ? 420 GLY A CA   1 
ATOM   1508 C  C    . GLY A 1 101 ? -30.32200 -10.48700 8.05300   1.000 33.26739  ? 420 GLY A C    1 
ATOM   1509 O  O    . GLY A 1 101 ? -29.26000 -11.11600 8.04600   1.000 38.97364  ? 420 GLY A O    1 
ATOM   1510 H  H    . GLY A 1 101 ? -33.29000 -10.18100 8.49200   1.000 50.87688  ? 420 GLY A H    1 
ATOM   1511 H  HA2  . GLY A 1 101 ? -31.66000 -11.18600 9.42200   1.000 46.74869  ? 420 GLY A HA2  1 
ATOM   1512 H  HA3  . GLY A 1 101 ? -31.54400 -12.11400 8.17400   1.000 46.74869  ? 420 GLY A HA3  1 
ATOM   1513 N  N    . MET A 1 102 ? -30.38800 -9.19500  7.73600   1.000 31.49323  ? 421 MET A N    1 
ATOM   1514 C  CA   . MET A 1 102 ? -29.23600 -8.48300  7.19500   1.000 26.73890  ? 421 MET A CA   1 
ATOM   1515 C  C    . MET A 1 102 ? -28.52200 -7.60200  8.20900   1.000 27.27860  ? 421 MET A C    1 
ATOM   1516 O  O    . MET A 1 102 ? -27.31600 -7.37600  8.06800   1.000 31.48008  ? 421 MET A O    1 
ATOM   1517 C  CB   . MET A 1 102 ? -29.66300 -7.62300  6.00200   1.000 47.57461  ? 421 MET A CB   1 
ATOM   1518 C  CG   . MET A 1 102 ? -30.09000 -8.43000  4.79400   1.000 37.03058  ? 421 MET A CG   1 
ATOM   1519 S  SD   . MET A 1 102 ? -28.71700 -9.33300  4.05600   1.000 42.67061  ? 421 MET A SD   1 
ATOM   1520 C  CE   . MET A 1 102 ? -27.75800 -7.98500  3.37000   1.000 40.45428  ? 421 MET A CE   1 
ATOM   1521 H  H    . MET A 1 102 ? -31.09400 -8.71300  7.82800   1.000 37.84043  ? 421 MET A H    1 
ATOM   1522 H  HA   . MET A 1 102 ? -28.60600 -9.16900  6.92300   1.000 32.13523  ? 421 MET A HA   1 
ATOM   1523 H  HB2  . MET A 1 102 ? -30.39600 -7.04900  6.27300   1.000 57.13809  ? 421 MET A HB2  1 
ATOM   1524 H  HB3  . MET A 1 102 ? -28.92700 -7.04400  5.75100   1.000 57.13809  ? 421 MET A HB3  1 
ATOM   1525 H  HG2  . MET A 1 102 ? -30.78400 -9.05600  5.05400   1.000 44.48526  ? 421 MET A HG2  1 
ATOM   1526 H  HG3  . MET A 1 102 ? -30.47800 -7.83700  4.13200   1.000 44.48526  ? 421 MET A HG3  1 
ATOM   1527 H  HE1  . MET A 1 102 ? -26.96900 -8.33900  2.93200   1.000 48.59370  ? 421 MET A HE1  1 
ATOM   1528 H  HE2  . MET A 1 102 ? -28.29600 -7.50100  2.72400   1.000 48.59370  ? 421 MET A HE2  1 
ATOM   1529 H  HE3  . MET A 1 102 ? -27.48900 -7.38400  4.08200   1.000 48.59370  ? 421 MET A HE3  1 
ATOM   1530 N  N    . SER A 1 103 ? -29.22400 -7.09500  9.21900   1.000 31.81252  ? 422 SER A N    1 
ATOM   1531 C  CA   . SER A 1 103 ? -28.64200 -6.16500  10.17700  1.000 32.02881  ? 422 SER A CA   1 
ATOM   1532 C  C    . SER A 1 103 ? -28.85500 -6.67600  11.59400  1.000 42.19646  ? 422 SER A C    1 
ATOM   1533 O  O    . SER A 1 103 ? -29.90900 -7.23500  11.91100  1.000 41.16874  ? 422 SER A O    1 
ATOM   1534 C  CB   . SER A 1 103 ? -29.24900 -4.76400  10.02800  1.000 34.19276  ? 422 SER A CB   1 
ATOM   1535 O  OG   . SER A 1 103 ? -28.67200 -3.85800  10.95200  1.000 111.13069 ? 422 SER A OG   1 
ATOM   1536 H  H    . SER A 1 103 ? -30.05000 -7.28100  9.36700   1.000 38.22358  ? 422 SER A H    1 
ATOM   1537 H  HA   . SER A 1 103 ? -27.69100 -6.10300  9.99700   1.000 38.48313  ? 422 SER A HA   1 
ATOM   1538 H  HB2  . SER A 1 103 ? -29.10900 -4.44200  9.12400   1.000 41.07987  ? 422 SER A HB2  1 
ATOM   1539 H  HB3  . SER A 1 103 ? -30.20800 -4.80700  10.16800  1.000 41.07987  ? 422 SER A HB3  1 
ATOM   1540 H  HG   . SER A 1 103 ? -27.88700 -4.10000  11.12900  1.000 133.40538 ? 422 SER A HG   1 
ATOM   1541 N  N    . VAL A 1 104 ? -27.85300 -6.47300  12.44400  1.000 36.86449  ? 423 VAL A N    1 
ATOM   1542 C  CA   . VAL A 1 104 ? -27.89900 -6.96300  13.81800  1.000 38.71137  ? 423 VAL A CA   1 
ATOM   1543 C  C    . VAL A 1 104 ? -28.77600 -6.04300  14.65400  1.000 38.95158  ? 423 VAL A C    1 
ATOM   1544 O  O    . VAL A 1 104 ? -28.59700 -4.81900  14.65100  1.000 37.63346  ? 423 VAL A O    1 
ATOM   1545 C  CB   . VAL A 1 104 ? -26.48300 -7.06400  14.40700  1.000 39.92605  ? 423 VAL A CB   1 
ATOM   1546 C  CG1  . VAL A 1 104 ? -26.54600 -7.36600  15.89600  1.000 25.87886  ? 423 VAL A CG1  1 
ATOM   1547 C  CG2  . VAL A 1 104 ? -25.68900 -8.13300  13.68600  1.000 40.46366  ? 423 VAL A CG2  1 
ATOM   1548 H  H    . VAL A 1 104 ? -27.13200 -6.05000  12.24200  1.000 44.28595  ? 423 VAL A H    1 
ATOM   1549 H  HA   . VAL A 1 104 ? -28.28200 -7.85400  13.82700  1.000 46.50221  ? 423 VAL A HA   1 
ATOM   1550 H  HB   . VAL A 1 104 ? -26.03700 -6.21100  14.28500  1.000 47.95982  ? 423 VAL A HB   1 
ATOM   1551 H  HG11 . VAL A 1 104 ? -25.64600 -7.42700  16.25200  1.000 31.10319  ? 423 VAL A HG11 1 
ATOM   1552 H  HG12 . VAL A 1 104 ? -27.02600 -6.65600  16.35000  1.000 31.10319  ? 423 VAL A HG12 1 
ATOM   1553 H  HG13 . VAL A 1 104 ? -27.00600 -8.20800  16.03600  1.000 31.10319  ? 423 VAL A HG13 1 
ATOM   1554 H  HG21 . VAL A 1 104 ? -24.79800 -8.18700  14.06700  1.000 48.60495  ? 423 VAL A HG21 1 
ATOM   1555 H  HG22 . VAL A 1 104 ? -26.13500 -8.98900  13.78500  1.000 48.60495  ? 423 VAL A HG22 1 
ATOM   1556 H  HG23 . VAL A 1 104 ? -25.62500 -7.90900  12.74400  1.000 48.60495  ? 423 VAL A HG23 1 
ATOM   1557 N  N    . ALA A 1 105 ? -29.72600 -6.63200  15.37800  1.000 38.65203  ? 424 ALA A N    1 
ATOM   1558 C  CA   . ALA A 1 105 ? -30.57800 -5.89100  16.30000  1.000 41.79671  ? 424 ALA A CA   1 
ATOM   1559 C  C    . ALA A 1 105 ? -30.11300 -6.02000  17.74700  1.000 37.89124  ? 424 ALA A C    1 
ATOM   1560 O  O    . ALA A 1 105 ? -30.01500 -5.01600  18.45700  1.000 50.40705  ? 424 ALA A O    1 
ATOM   1561 C  CB   . ALA A 1 105 ? -32.03200 -6.35900  16.16800  1.000 35.20769  ? 424 ALA A CB   1 
ATOM   1562 H  H    . ALA A 1 105 ? -29.89300 -7.47500  15.34700  1.000 46.43099  ? 424 ALA A H    1 
ATOM   1563 H  HA   . ALA A 1 105 ? -30.51600 -4.95300  16.06000  1.000 50.20461  ? 424 ALA A HA   1 
ATOM   1564 H  HB1  . ALA A 1 105 ? -32.59000 -5.86000  16.78500  1.000 42.29779  ? 424 ALA A HB1  1 
ATOM   1565 H  HB2  . ALA A 1 105 ? -32.34000 -6.20800  15.26000  1.000 42.29779  ? 424 ALA A HB2  1 
ATOM   1566 H  HB3  . ALA A 1 105 ? -32.08800 -7.30500  16.37500  1.000 42.29779  ? 424 ALA A HB3  1 
ATOM   1567 N  N    . GLU A 1 106 ? -29.81900 -7.23900  18.19700  1.000 41.23122  ? 425 GLU A N    1 
ATOM   1568 C  CA   . GLU A 1 106 ? -29.32700 -7.47400  19.54700  1.000 51.27208  ? 425 GLU A CA   1 
ATOM   1569 C  C    . GLU A 1 106 ? -28.22600 -8.52400  19.51200  1.000 29.25574  ? 425 GLU A C    1 
ATOM   1570 O  O    . GLU A 1 106 ? -28.18000 -9.37000  18.61500  1.000 51.28554  ? 425 GLU A O    1 
ATOM   1571 C  CB   . GLU A 1 106 ? -30.44500 -7.93400  20.49300  1.000 41.34473  ? 425 GLU A CB   1 
ATOM   1572 C  CG   . GLU A 1 106 ? -31.52100 -6.89400  20.75200  1.000 59.59919  ? 425 GLU A CG   1 
ATOM   1573 C  CD   . GLU A 1 106 ? -32.59300 -7.39700  21.69800  1.000 102.53557 ? 425 GLU A CD   1 
ATOM   1574 O  OE1  . GLU A 1 106 ? -32.44700 -8.52400  22.21700  1.000 111.79009 ? 425 GLU A OE1  1 
ATOM   1575 O  OE2  . GLU A 1 106 ? -33.58100 -6.66600  21.92200  1.000 102.61590 ? 425 GLU A OE2  1 
ATOM   1576 H  H    . GLU A 1 106 ? -29.90100 -7.95300  17.72400  1.000 49.52602  ? 425 GLU A H    1 
ATOM   1577 H  HA   . GLU A 1 106 ? -28.97900 -6.63400  19.88600  1.000 61.57505  ? 425 GLU A HA   1 
ATOM   1578 H  HB2  . GLU A 1 106 ? -30.86100 -8.72700  20.12100  1.000 49.66223  ? 425 GLU A HB2  1 
ATOM   1579 H  HB3  . GLU A 1 106 ? -30.05000 -8.19200  21.34100  1.000 49.66223  ? 425 GLU A HB3  1 
ATOM   1580 H  HG2  . GLU A 1 106 ? -31.11400 -6.09600  21.12400  1.000 71.56759  ? 425 GLU A HG2  1 
ATOM   1581 H  HG3  . GLU A 1 106 ? -31.93000 -6.63800  19.91000  1.000 71.56759  ? 425 GLU A HG3  1 
ATOM   1582 N  N    . CYS A 1 107 ? -27.34200 -8.46200  20.50500  1.000 45.74553  ? 426 CYS A N    1 
ATOM   1583 C  CA   . CYS A 1 107 ? -26.26000 -9.42100  20.66500  1.000 33.72355  ? 426 CYS A CA   1 
ATOM   1584 C  C    . CYS A 1 107 ? -26.44700 -10.20400 21.95800  1.000 36.37300  ? 426 CYS A C    1 
ATOM   1585 O  O    . CYS A 1 107 ? -27.19500 -9.80200  22.85300  1.000 51.70822  ? 426 CYS A O    1 
ATOM   1586 C  CB   . CYS A 1 107 ? -24.89200 -8.72600  20.67400  1.000 47.79588  ? 426 CYS A CB   1 
ATOM   1587 S  SG   . CYS A 1 107 ? -24.47200 -7.87400  19.14000  1.000 72.35066  ? 426 CYS A SG   1 
ATOM   1588 H  H    . CYS A 1 107 ? -27.35700 -7.85200  21.11100  1.000 54.94320  ? 426 CYS A H    1 
ATOM   1589 H  HA   . CYS A 1 107 ? -26.28500 -10.02800 19.90900  1.000 40.51681  ? 426 CYS A HA   1 
ATOM   1590 H  HB2  . CYS A 1 107 ? -24.87300 -8.08500  21.40200  1.000 57.40361  ? 426 CYS A HB2  1 
ATOM   1591 H  HB3  . CYS A 1 107 ? -24.20800 -9.38800  20.86100  1.000 57.40361  ? 426 CYS A HB3  1 
ATOM   1592 N  N    . GLY A 1 108 ? -25.75100 -11.32900 22.04800  1.000 48.34721  ? 427 GLY A N    1 
ATOM   1593 C  CA   . GLY A 1 108 ? -25.83100 -12.15900 23.23300  1.000 31.88519  ? 427 GLY A CA   1 
ATOM   1594 C  C    . GLY A 1 108 ? -24.87300 -13.32500 23.13400  1.000 32.28711  ? 427 GLY A C    1 
ATOM   1595 O  O    . GLY A 1 108 ? -24.42000 -13.70000 22.04700  1.000 51.51480  ? 427 GLY A O    1 
ATOM   1596 H  H    . GLY A 1 108 ? -25.22800 -11.62700 21.43400  1.000 58.06521  ? 427 GLY A H    1 
ATOM   1597 H  HA2  . GLY A 1 108 ? -25.62400 -11.63000 24.01900  1.000 38.01943  ? 427 GLY A HA2  1 
ATOM   1598 H  HA3  . GLY A 1 108 ? -26.73700 -12.48700 23.34300  1.000 38.01943  ? 427 GLY A HA3  1 
ATOM   1599 N  N    . CYS A 1 109 ? -24.57300 -13.89500 24.29800  1.000 59.47276  ? 428 CYS A N    1 
ATOM   1600 C  CA   . CYS A 1 109 ? -23.67500 -15.03700 24.39500  1.000 47.48491  ? 428 CYS A CA   1 
ATOM   1601 C  C    . CYS A 1 109 ? -24.45500 -16.32800 24.19500  1.000 39.65171  ? 428 CYS A C    1 
ATOM   1602 O  O    . CYS A 1 109 ? -25.44800 -16.57500 24.88700  1.000 38.75590  ? 428 CYS A O    1 
ATOM   1603 C  CB   . CYS A 1 109 ? -22.96300 -15.05000 25.74700  1.000 36.85702  ? 428 CYS A CB   1 
ATOM   1604 S  SG   . CYS A 1 109 ? -21.78700 -13.70100 25.95100  1.000 61.68399  ? 428 CYS A SG   1 
ATOM   1605 H  H    . CYS A 1 109 ? -24.88600 -13.62900 25.05400  1.000 71.41588  ? 428 CYS A H    1 
ATOM   1606 H  HA   . CYS A 1 109 ? -23.00300 -14.96300 23.69900  1.000 57.03044  ? 428 CYS A HA   1 
ATOM   1607 H  HB2  . CYS A 1 109 ? -23.62500 -15.00200 26.45400  1.000 43.98563  ? 428 CYS A HB2  1 
ATOM   1608 H  HB3  . CYS A 1 109 ? -22.49700 -15.89400 25.85100  1.000 43.98563  ? 428 CYS A HB3  1 
ATOM   1609 N  N    . ARG A 1 110 ? -24.00300 -17.14500 23.24900  1.000 36.53845  ? 429 ARG A N    1 
ATOM   1610 C  CA   . ARG A 1 110 ? -24.79000 -18.36000 22.93300  1.000 36.43812  ? 429 ARG A CA   1 
ATOM   1611 C  C    . ARG A 1 110 ? -23.86800 -19.58100 22.93800  1.000 56.19040  ? 429 ARG A C    1 
ATOM   1612 O  O    . ARG A 1 110 ? -24.30500 -20.66700 23.25900  1.000 39.55928  ? 429 ARG A O    1 
ATOM   1613 C  CB   . ARG A 1 110 ? -25.50100 -18.17200 21.59200  1.000 34.93662  ? 429 ARG A CB   1 
ATOM   1614 C  CG   . ARG A 1 110 ? -26.69000 -17.23000 21.63600  1.000 38.49894  ? 429 ARG A CG   1 
ATOM   1615 C  CD   . ARG A 1 110 ? -27.72400 -17.75900 22.60000  1.000 39.04166  ? 429 ARG A CD   1 
ATOM   1616 N  NE   . ARG A 1 110 ? -28.84800 -16.84900 22.71300  1.000 55.32491  ? 429 ARG A NE   1 
ATOM   1617 C  CZ   . ARG A 1 110 ? -28.87600 -15.78900 23.50600  1.000 40.40968  ? 429 ARG A CZ   1 
ATOM   1618 N  NH1  . ARG A 1 110 ? -27.83900 -15.50100 24.27000  1.000 52.07319  ? 429 ARG A NH1  1 
ATOM   1619 N  NH2  . ARG A 1 110 ? -29.95200 -15.02400 23.54800  1.000 48.08666  ? 429 ARG A NH2  1 
ATOM   1620 O  OXT  . ARG A 1 110 ? -22.70100 -19.39800 22.61900  1.000 58.35773  ? 429 ARG A OXT  1 
ATOM   1621 H  H    . ARG A 1 110 ? -23.28200 -17.03400 22.79300  1.000 43.89470  ? 429 ARG A H    1 
ATOM   1622 H  HA   . ARG A 1 110 ? -25.47200 -18.50800 23.60600  1.000 43.48295  ? 429 ARG A HA   1 
ATOM   1623 H  HB2  . ARG A 1 110 ? -24.86200 -17.83700 20.94400  1.000 41.68115  ? 429 ARG A HB2  1 
ATOM   1624 H  HB3  . ARG A 1 110 ? -25.80100 -19.03800 21.27400  1.000 41.68115  ? 429 ARG A HB3  1 
ATOM   1625 H  HG2  . ARG A 1 110 ? -26.40300 -16.34500 21.91000  1.000 46.24728  ? 429 ARG A HG2  1 
ATOM   1626 H  HG3  . ARG A 1 110 ? -27.07600 -17.14100 20.75100  1.000 46.24728  ? 429 ARG A HG3  1 
ATOM   1627 H  HD2  . ARG A 1 110 ? -28.03600 -18.62700 22.30000  1.000 46.89856  ? 429 ARG A HD2  1 
ATOM   1628 H  HD3  . ARG A 1 110 ? -27.32000 -17.88900 23.47200  1.000 46.89856  ? 429 ARG A HD3  1 
ATOM   1629 H  HE   . ARG A 1 110 ? -29.54300 -17.00900 22.23200  1.000 66.43845  ? 429 ARG A HE   1 
ATOM   1630 H  HH11 . ARG A 1 110 ? -27.14100 -16.00300 24.25400  1.000 62.53639  ? 429 ARG A HH11 1 
ATOM   1631 H  HH12 . ARG A 1 110 ? -27.86200 -14.81200 24.78400  1.000 62.53639  ? 429 ARG A HH12 1 
ATOM   1632 H  HH21 . ARG A 1 110 ? -30.63400 -15.21400 23.06000  1.000 57.75255  ? 429 ARG A HH21 1 
ATOM   1633 H  HH22 . ARG A 1 110 ? -29.97000 -14.33600 24.06300  1.000 57.75255  ? 429 ARG A HH22 1 
HETATM 1634 C  C1   . GOL B 2 .   ? -38.11900 -0.76100  5.37100   0.920 95.16285  ? 501 GOL A C1   1 
HETATM 1635 O  O1   . GOL B 2 .   ? -37.44100 -0.24000  4.23100   0.920 79.56057  ? 501 GOL A O1   1 
HETATM 1636 C  C2   . GOL B 2 .   ? -37.14700 -1.29800  6.39800   0.920 78.50995  ? 501 GOL A C2   1 
HETATM 1637 O  O2   . GOL B 2 .   ? -37.85400 -1.87500  7.49400   0.920 86.35736  ? 501 GOL A O2   1 
HETATM 1638 C  C3   . GOL B 2 .   ? -36.16300 -2.29600  5.83200   0.920 86.72845  ? 501 GOL A C3   1 
HETATM 1639 O  O3   . GOL B 2 .   ? -36.81000 -3.49000  5.40500   0.920 82.44234  ? 501 GOL A O3   1 
HETATM 1640 H  H11  . GOL B 2 .   ? -38.72300 -1.46800  5.09500   0.920 114.24397 ? 501 GOL A H11  1 
HETATM 1641 H  H12  . GOL B 2 .   ? -38.66300 -0.06500  5.77200   0.920 114.24397 ? 501 GOL A H12  1 
HETATM 1642 H  HO1  . GOL B 2 .   ? -37.96600 -0.22400  3.57500   0.920 95.52125  ? 501 GOL A HO1  1 
HETATM 1643 H  H2   . GOL B 2 .   ? -36.62600 -0.53900  6.70300   0.920 94.26050  ? 501 GOL A H2   1 
HETATM 1644 H  HO2  . GOL B 2 .   ? -37.93900 -2.70100  7.36900   0.920 103.67739 ? 501 GOL A HO2  1 
HETATM 1645 H  H31  . GOL B 2 .   ? -35.49700 -2.51100  6.50400   0.920 104.12270 ? 501 GOL A H31  1 
HETATM 1646 H  H32  . GOL B 2 .   ? -35.69200 -1.89700  5.08300   0.920 104.12270 ? 501 GOL A H32  1 
HETATM 1647 H  HO3  . GOL B 2 .   ? -36.29000 -3.93000  4.91300   0.920 98.97937  ? 501 GOL A HO3  1 
HETATM 1648 CL CL   . CL  C 3 .   ? -40.60200 -7.80200  1.42900   0.940 78.48222  ? 502 CL  A CL   1 
HETATM 1649 CL CL   . CL  D 3 .   ? -35.95700 -12.35300 2.73600   0.740 49.56877  ? 503 CL  A CL   1 
HETATM 1650 CL CL   . CL  E 3 .   ? -31.65400 -14.91000 14.43600  0.770 58.00004  ? 504 CL  A CL   1 
HETATM 1651 CL CL   . CL  F 3 .   ? -31.59900 -20.56200 28.69700  0.580 28.73413  ? 505 CL  A CL   1 
HETATM 1652 CL CL   . CL  G 3 .   ? -22.00700 -13.51400 36.39100  0.730 92.01865  ? 506 CL  A CL   1 
HETATM 1653 CL CL   . CL  H 3 .   ? -32.26800 -16.97400 26.90000  0.820 78.26877  ? 507 CL  A CL   1 
HETATM 1654 CL CL   . CL  I 3 .   ? -11.02200 -26.32700 21.59200  0.700 93.38204  ? 508 CL  A CL   1 
HETATM 1655 CL CL   . CL  J 3 .   ? -8.64300  -18.93100 28.99900  0.990 86.90914  ? 509 CL  A CL   1 
HETATM 1656 CL CL   . CL  K 3 .   ? -15.81900 -6.89700  34.65700  0.990 92.56062  ? 510 CL  A CL   1 
HETATM 1657 CL CL   . CL  L 3 .   ? -42.50500 -0.63500  6.76900   0.830 60.99700  ? 511 CL  A CL   1 
HETATM 1658 NA NA   . NA  M 4 .   ? -28.93900 -14.59200 14.31400  0.960 51.99833  ? 512 NA  A NA   1 
HETATM 1659 NA NA   . NA  N 4 .   ? -16.81800 -14.24100 20.28000  0.990 66.12059  ? 513 NA  A NA   1 
HETATM 1660 NA NA   . NA  O 4 .   ? -7.26600  -28.41700 29.67200  0.990 64.68643  ? 514 NA  A NA   1 
HETATM 1661 O  O    . HOH P 5 .   ? -22.53400 -22.32600 24.04600  0.990 41.74182  ? 601 HOH A O    1 
HETATM 1662 O  O    . HOH P 5 .   ? -26.61400 -21.35100 23.71400  0.840 23.62072  ? 602 HOH A O    1 
HETATM 1663 O  O    . HOH P 5 .   ? -40.21000 -7.93400  8.54500   0.990 55.72733  ? 603 HOH A O    1 
HETATM 1664 O  O    . HOH P 5 .   ? -36.38700 -8.89000  13.68500  0.990 49.88051  ? 604 HOH A O    1 
HETATM 1665 O  O    . HOH P 5 .   ? -16.29800 -3.34500  5.58800   0.990 57.75181  ? 605 HOH A O    1 
HETATM 1666 O  O    . HOH P 5 .   ? -21.48500 -1.38000  -3.65600  0.990 58.36246  ? 606 HOH A O    1 
HETATM 1667 O  O    . HOH P 5 .   ? -36.55100 -6.32200  13.67600  0.990 57.67463  ? 607 HOH A O    1 
HETATM 1668 O  O    . HOH P 5 .   ? -31.53900 -10.78400 23.36200  0.990 57.04491  ? 608 HOH A O    1 
HETATM 1669 O  O    . HOH P 5 .   ? -34.58600 -9.86900  10.19000  0.950 50.83957  ? 609 HOH A O    1 
HETATM 1670 O  O    . HOH P 5 .   ? -34.18200 -19.81400 31.41800  0.990 62.47712  ? 610 HOH A O    1 
HETATM 1671 O  O    . HOH P 5 .   ? -31.09300 -6.49000  30.84900  0.990 85.07785  ? 611 HOH A O    1 
HETATM 1672 O  O    . HOH P 5 .   ? -23.45000 -1.30300  21.72400  0.990 57.85992  ? 612 HOH A O    1 
HETATM 1673 O  O    . HOH P 5 .   ? -20.79100 0.95900   24.67800  0.980 64.68574  ? 613 HOH A O    1 
HETATM 1674 O  O    . HOH P 5 .   ? -18.54400 -12.26100 15.97400  0.600 27.46474  ? 614 HOH A O    1 
HETATM 1675 O  O    . HOH P 5 .   ? -31.58900 -2.91500  13.65600  0.990 48.28209  ? 615 HOH A O    1 
HETATM 1676 O  O    . HOH P 5 .   ? -21.26800 -10.78000 14.57500  0.990 37.38244  ? 616 HOH A O    1 
HETATM 1677 O  O    . HOH P 5 .   ? -9.86300  -23.82200 22.99300  0.990 69.85537  ? 617 HOH A O    1 
HETATM 1678 O  O    . HOH P 5 .   ? -23.72600 -2.69100  -5.97600  0.990 67.50791  ? 618 HOH A O    1 
HETATM 1679 O  O    . HOH P 5 .   ? -14.07000 -15.63300 33.07600  0.990 36.25911  ? 619 HOH A O    1 
HETATM 1680 O  O    . HOH P 5 .   ? -11.71200 -16.41700 28.14400  0.990 58.54007  ? 620 HOH A O    1 
HETATM 1681 O  O    . HOH P 5 .   ? -13.25400 -4.25600  -6.41000  0.990 53.32869  ? 621 HOH A O    1 
HETATM 1682 O  O    . HOH P 5 .   ? -10.51500 -30.21700 40.29200  0.990 41.63293  ? 622 HOH A O    1 
HETATM 1683 O  O    . HOH P 5 .   ? -17.01500 -4.18900  3.29200   0.990 29.79040  ? 623 HOH A O    1 
HETATM 1684 O  O    . HOH P 5 .   ? -29.19900 -7.02500  24.32800  0.990 77.27608  ? 624 HOH A O    1 
HETATM 1685 O  O    . HOH P 5 .   ? -34.00400 -12.72700 13.97800  0.780 31.17708  ? 625 HOH A O    1 
HETATM 1686 O  O    . HOH P 5 .   ? -40.61100 -3.50100  -7.29400  0.830 41.53286  ? 626 HOH A O    1 
HETATM 1687 O  O    . HOH P 5 .   ? -16.32200 -9.80700  15.46100  0.990 70.61816  ? 627 HOH A O    1 
HETATM 1688 O  O    . HOH P 5 .   ? -26.59600 -5.80200  22.33300  0.990 34.55654  ? 628 HOH A O    1 
HETATM 1689 O  O    . HOH P 5 .   ? -38.39200 -8.55500  11.26100  0.990 67.06912  ? 629 HOH A O    1 
HETATM 1690 O  O    . HOH P 5 .   ? -16.26800 -11.50600 19.32500  0.990 51.72832  ? 630 HOH A O    1 
HETATM 1691 O  O    . HOH P 5 .   ? -36.21700 -2.01200  10.42100  0.990 60.90954  ? 631 HOH A O    1 
HETATM 1692 O  O    . HOH P 5 .   ? -19.25200 -9.50200  -9.34200  0.990 78.55638  ? 632 HOH A O    1 
HETATM 1693 O  O    . HOH P 5 .   ? -16.26300 -5.18000  22.93400  0.990 70.20353  ? 633 HOH A O    1 
HETATM 1694 O  O    . HOH P 5 .   ? -16.99000 0.07700   9.74700   0.990 48.80871  ? 634 HOH A O    1 
HETATM 1695 O  O    . HOH P 5 .   ? -15.90400 -14.68600 22.71900  0.990 62.49161  ? 635 HOH A O    1 
HETATM 1696 O  O    . HOH P 5 .   ? -20.51700 -13.44800 15.30300  0.400 17.24157  ? 636 HOH A O    1 
HETATM 1697 O  O    . HOH P 5 .   ? -24.00700 -8.33100  36.67100  0.990 62.40778  ? 637 HOH A O    1 
HETATM 1698 O  O    . HOH P 5 .   ? -44.67400 -3.47200  6.11600   0.990 58.43997  ? 638 HOH A O    1 
HETATM 1699 O  O    . HOH P 5 .   ? -23.71300 0.77100   17.65900  0.990 60.50101  ? 639 HOH A O    1 
HETATM 1700 O  O    . HOH P 5 .   ? -29.16300 1.82500   16.03300  0.890 56.93130  ? 640 HOH A O    1 
HETATM 1701 O  O    . HOH P 5 .   ? -19.89900 1.44700   17.52400  0.990 58.82576  ? 641 HOH A O    1 
HETATM 1702 O  O    . HOH P 5 .   ? -14.52500 -3.34300  12.12400  0.990 49.23035  ? 642 HOH A O    1 
HETATM 1703 O  O    . HOH P 5 .   ? -41.28600 -7.23200  -1.91900  0.990 49.02479  ? 643 HOH A O    1 
HETATM 1704 O  O    . HOH P 5 .   ? -16.37300 -0.07500  3.37600   0.990 67.32691  ? 644 HOH A O    1 
HETATM 1705 O  O    . HOH P 5 .   ? -20.55400 0.94600   20.43700  0.990 64.10625  ? 645 HOH A O    1 
HETATM 1706 O  O    . HOH P 5 .   ? -14.54000 0.07100   -3.11300  0.990 67.46355  ? 646 HOH A O    1 
HETATM 1707 O  O    . HOH P 5 .   ? -14.89100 -21.83400 20.37700  0.990 68.86022  ? 647 HOH A O    1 
HETATM 1708 O  O    . HOH P 5 .   ? -24.26800 4.17100   13.39000  0.990 60.98884  ? 648 HOH A O    1 
HETATM 1709 O  O    . HOH P 5 .   ? -14.17300 -17.89300 31.00500  0.990 52.85499  ? 649 HOH A O    1 
HETATM 1710 O  O    . HOH P 5 .   ? -28.42300 -17.76100 18.19600  0.660 61.13964  ? 650 HOH A O    1 
HETATM 1711 O  O    . HOH P 5 .   ? -21.31900 -4.87000  27.38000  0.990 48.96471  ? 651 HOH A O    1 
HETATM 1712 O  O    . HOH P 5 .   ? -18.69500 -6.12000  34.71600  0.990 47.71830  ? 652 HOH A O    1 
HETATM 1713 O  O    . HOH P 5 .   ? -33.80200 -13.52600 24.28200  0.990 57.18582  ? 653 HOH A O    1 
HETATM 1714 O  O    . HOH P 5 .   ? -14.64300 -3.01400  7.27200   0.990 44.44108  ? 654 HOH A O    1 
HETATM 1715 O  O    . HOH P 5 .   ? -33.42300 -2.31900  18.86700  0.900 68.64755  ? 655 HOH A O    1 
HETATM 1716 O  O    . HOH P 5 .   ? -40.30200 1.17000   9.46500   0.990 60.72302  ? 656 HOH A O    1 
HETATM 1717 O  O    . HOH P 5 .   ? -33.95100 -13.95300 10.55000  0.990 62.85099  ? 657 HOH A O    1 
HETATM 1718 O  O    . HOH P 5 .   ? -39.13300 -4.49700  11.13100  0.990 54.79066  ? 658 HOH A O    1 
HETATM 1719 O  O    . HOH P 5 .   ? -43.51800 -3.60300  10.08200  0.990 57.94979  ? 659 HOH A O    1 
HETATM 1720 O  O    . HOH P 5 .   ? -44.32000 -4.84200  -0.00200  0.990 68.92683  ? 660 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    . GLY A 5   ? 1.68661 1.82765 0.95696 -0.39291 -0.41023 -0.15420 324 GLY A N    
2    C  CA   . GLY A 5   ? 1.94813 2.11868 1.22801 -0.33966 -0.36964 -0.12142 324 GLY A CA   
3    C  C    . GLY A 5   ? 2.01696 2.18484 1.40068 -0.32907 -0.34037 -0.09879 324 GLY A C    
4    O  O    . GLY A 5   ? 1.91769 1.97885 1.28570 -0.31322 -0.30328 -0.13347 324 GLY A O    
5    H  HA2  . GLY A 5   ? 2.11854 2.11854 2.11854 -0.00000 -0.00000 0.00000  324 GLY A HA2  
6    H  HA3  . GLY A 5   ? 2.11854 2.11854 2.11854 -0.00000 -0.00000 0.00000  324 GLY A HA3  
7    N  N    . SER A 6   ? 1.93752 2.21830 1.44465 -0.32088 -0.34676 -0.03786 325 SER A N    
8    C  CA   . SER A 6   ? 1.84074 2.12185 1.46419 -0.29548 -0.31117 -0.01385 325 SER A CA   
9    C  C    . SER A 6   ? 1.90598 2.19486 1.55578 -0.22740 -0.26447 0.01617  325 SER A C    
10   O  O    . SER A 6   ? 1.89687 2.27230 1.62192 -0.20077 -0.26386 0.06975  325 SER A O    
11   C  CB   . SER A 6   ? 1.80387 2.19847 1.53909 -0.32211 -0.34217 0.03160  325 SER A CB   
12   O  OG   . SER A 6   ? 1.84919 2.25215 1.68786 -0.28809 -0.30486 0.05684  325 SER A OG   
13   H  H    . SER A 6   ? 2.24081 2.24081 2.24081 -0.00000 -0.00000 0.00000  325 SER A H    
14   H  HA   . SER A 6   ? 2.17133 2.17133 2.17133 0.00000  0.00000  -0.00000 325 SER A HA   
15   H  HB2  . SER A 6   ? 2.21719 2.21719 2.21719 0.00000  0.00000  0.00000  325 SER A HB2  
16   H  HB3  . SER A 6   ? 2.21719 2.21719 2.21719 0.00000  0.00000  0.00000  325 SER A HB3  
17   H  HG   . SER A 6   ? 2.31629 2.31629 2.31629 -0.00000 -0.00000 0.00000  325 SER A HG   
18   N  N    . HIS A 7   ? 1.33734 1.53242 0.92766 -0.19891 -0.22464 -0.01682 326 HIS A N    
19   C  CA   . HIS A 7   ? 1.28364 1.48150 0.89827 -0.14308 -0.18113 0.01034  326 HIS A CA   
20   C  C    . HIS A 7   ? 1.05090 1.18963 0.72576 -0.11870 -0.14163 0.00107  326 HIS A C    
21   O  O    . HIS A 7   ? 1.11163 1.20502 0.80239 -0.14026 -0.14441 -0.02483 326 HIS A O    
22   C  CB   . HIS A 7   ? 0.99454 1.16227 0.49788 -0.12465 -0.16551 -0.00752 326 HIS A CB   
23   C  CG   . HIS A 7   ? 1.55069 1.79734 1.00478 -0.13313 -0.19766 0.01981  326 HIS A CG   
24   N  ND1  . HIS A 7   ? 1.29710 1.62886 0.81137 -0.10722 -0.19609 0.08444  326 HIS A ND1  
25   C  CD2  . HIS A 7   ? 1.32217 1.57250 0.66759 -0.16433 -0.23447 -0.00799 326 HIS A CD2  
26   C  CE1  . HIS A 7   ? 1.18877 1.58219 0.63756 -0.11965 -0.22940 0.10069  326 HIS A CE1  
27   N  NE2  . HIS A 7   ? 1.29316 1.64190 0.63640 -0.15561 -0.25475 0.04330  326 HIS A NE2  
28   H  H    . HIS A 7   ? 1.51958 1.51958 1.51958 -0.00000 -0.00000 0.00000  326 HIS A H    
29   H  HA   . HIS A 7   ? 1.46598 1.46598 1.46598 -0.00000 0.00000  -0.00000 326 HIS A HA   
30   H  HB2  . HIS A 7   ? 1.05880 1.05880 1.05880 -0.00000 0.00000  -0.00000 326 HIS A HB2  
31   H  HB3  . HIS A 7   ? 1.05880 1.05880 1.05880 -0.00000 0.00000  -0.00000 326 HIS A HB3  
32   H  HD2  . HIS A 7   ? 1.42552 1.42552 1.42552 -0.00000 -0.00000 -0.00000 326 HIS A HD2  
33   H  HE1  . HIS A 7   ? 1.36402 1.36402 1.36402 -0.00000 0.00000  0.00000  326 HIS A HE1  
34   H  HE2  . HIS A 7   ? 1.42920 1.42920 1.42920 -0.00000 0.00000  0.00000  326 HIS A HE2  
35   N  N    . CYS A 8   ? 0.81887 0.96034 0.52531 -0.07613 -0.10674 0.02552  327 CYS A N    
36   C  CA   . CYS A 8   ? 0.87384 0.98308 0.65107 -0.05123 -0.07576 0.02846  327 CYS A CA   
37   C  C    . CYS A 8   ? 0.79043 0.81366 0.51840 -0.04697 -0.05197 -0.01672 327 CYS A C    
38   O  O    . CYS A 8   ? 0.92504 0.92339 0.60346 -0.02344 -0.02598 -0.02539 327 CYS A O    
39   C  CB   . CYS A 8   ? 0.64837 0.78665 0.46907 -0.01633 -0.05320 0.06945  327 CYS A CB   
40   S  SG   . CYS A 8   ? 0.79651 0.89879 0.69940 0.00894  -0.02373 0.07219  327 CYS A SG   
41   H  H    . CYS A 8   ? 0.92243 0.92243 0.92243 -0.00000 -0.00000 -0.00000 327 CYS A H    
42   H  HA   . CYS A 8   ? 1.00381 1.00381 1.00381 0.00000  0.00000  -0.00000 327 CYS A HA   
43   H  HB2  . CYS A 8   ? 0.75856 0.75856 0.75856 0.00000  0.00000  -0.00000 327 CYS A HB2  
44   H  HB3  . CYS A 8   ? 0.75856 0.75856 0.75856 0.00000  0.00000  -0.00000 327 CYS A HB3  
45   N  N    . GLN A 9   ? 0.71992 0.70166 0.46758 -0.06407 -0.05635 -0.03931 328 GLN A N    
46   C  CA   . GLN A 9   ? 0.83906 0.73470 0.54692 -0.05441 -0.03311 -0.07596 328 GLN A CA   
47   C  C    . GLN A 9   ? 0.79477 0.67233 0.57164 -0.05091 -0.02418 -0.07265 328 GLN A C    
48   O  O    . GLN A 9   ? 0.64957 0.57645 0.49500 -0.05947 -0.03662 -0.04873 328 GLN A O    
49   C  CB   . GLN A 9   ? 0.97098 0.80124 0.58550 -0.08628 -0.05160 -0.11883 328 GLN A CB   
50   C  CG   . GLN A 9   ? 0.96250 0.80703 0.60112 -0.13805 -0.09030 -0.11899 328 GLN A CG   
51   C  CD   . GLN A 9   ? 1.43222 1.20923 0.97355 -0.17962 -0.11738 -0.16200 328 GLN A CD   
52   O  OE1  . GLN A 9   ? 1.47729 1.14992 0.94593 -0.16937 -0.09974 -0.20217 328 GLN A OE1  
53   N  NE2  . GLN A 9   ? 1.45570 1.28975 0.99309 -0.22615 -0.16228 -0.15427 328 GLN A NE2  
54   H  H    . GLN A 9   ? 0.75628 0.75628 0.75628 -0.00000 -0.00000 -0.00000 328 GLN A H    
55   H  HA   . GLN A 9   ? 0.84889 0.84889 0.84889 0.00000  -0.00000 -0.00000 328 GLN A HA   
56   H  HB2  . GLN A 9   ? 0.94370 0.94370 0.94370 -0.00000 -0.00000 -0.00000 328 GLN A HB2  
57   H  HB3  . GLN A 9   ? 0.94370 0.94370 0.94370 -0.00000 -0.00000 -0.00000 328 GLN A HB3  
58   H  HG2  . GLN A 9   ? 0.94888 0.94888 0.94888 -0.00000 -0.00000 -0.00000 328 GLN A HG2  
59   H  HG3  . GLN A 9   ? 0.94888 0.94888 0.94888 -0.00000 -0.00000 -0.00000 328 GLN A HG3  
60   H  HE21 . GLN A 9   ? 1.49603 1.49603 1.49603 0.00000  -0.00000 -0.00000 328 GLN A HE21 
61   H  HE22 . GLN A 9   ? 1.49603 1.49603 1.49603 0.00000  -0.00000 -0.00000 328 GLN A HE22 
62   N  N    . LYS A 10  ? 0.89129 0.69893 0.64467 -0.03347 -0.00070 -0.09578 329 LYS A N    
63   C  CA   . LYS A 10  ? 0.84700 0.63360 0.65193 -0.02662 0.00902  -0.09239 329 LYS A CA   
64   C  C    . LYS A 10  ? 0.71072 0.44769 0.49382 -0.06413 -0.00805 -0.10960 329 LYS A C    
65   O  O    . LYS A 10  ? 1.28837 0.94726 0.99845 -0.07518 -0.00869 -0.14073 329 LYS A O    
66   C  CB   . LYS A 10  ? 0.65797 0.40533 0.45682 0.01367  0.04129  -0.09972 329 LYS A CB   
67   C  CG   . LYS A 10  ? 0.91174 0.64124 0.75613 0.02365  0.04917  -0.09404 329 LYS A CG   
68   C  CD   . LYS A 10  ? 0.69999 0.40554 0.54334 0.06473  0.07714  -0.09619 329 LYS A CD   
69   C  CE   . LYS A 10  ? 0.79909 0.42643 0.56383 0.07763  0.09283  -0.12439 329 LYS A CE   
70   N  NZ   . LYS A 10  ? 1.22441 0.84083 0.99677 0.12539  0.12305  -0.12035 329 LYS A NZ   
71   H  H    . LYS A 10  ? 0.89457 0.89457 0.89457 -0.00000 0.00000  0.00000  329 LYS A H    
72   H  HA   . LYS A 10  ? 0.85362 0.85362 0.85362 -0.00000 -0.00000 -0.00000 329 LYS A HA   
73   H  HB2  . LYS A 10  ? 0.60497 0.60497 0.60497 0.00000  -0.00000 -0.00000 329 LYS A HB2  
74   H  HB3  . LYS A 10  ? 0.60497 0.60497 0.60497 0.00000  -0.00000 -0.00000 329 LYS A HB3  
75   H  HG2  . LYS A 10  ? 0.92426 0.92426 0.92426 -0.00000 -0.00000 0.00000  329 LYS A HG2  
76   H  HG3  . LYS A 10  ? 0.92426 0.92426 0.92426 -0.00000 -0.00000 0.00000  329 LYS A HG3  
77   H  HD2  . LYS A 10  ? 0.66016 0.66016 0.66016 0.00000  0.00000  0.00000  329 LYS A HD2  
78   H  HD3  . LYS A 10  ? 0.66016 0.66016 0.66016 0.00000  0.00000  0.00000  329 LYS A HD3  
79   H  HE2  . LYS A 10  ? 0.71635 0.71635 0.71635 0.00000  -0.00000 -0.00000 329 LYS A HE2  
80   H  HE3  . LYS A 10  ? 0.71635 0.71635 0.71635 0.00000  -0.00000 -0.00000 329 LYS A HE3  
81   H  HZ1  . LYS A 10  ? 1.22542 1.22542 1.22542 0.00000  0.00000  0.00000  329 LYS A HZ1  
82   H  HZ2  . LYS A 10  ? 1.22542 1.22542 1.22542 0.00000  0.00000  0.00000  329 LYS A HZ2  
83   H  HZ3  . LYS A 10  ? 1.22542 1.22542 1.22542 0.00000  0.00000  0.00000  329 LYS A HZ3  
84   N  N    . THR A 11  ? 0.96458 0.74418 0.81083 -0.08147 -0.01940 -0.08793 330 THR A N    
85   C  CA   . THR A 11  ? 1.14243 0.88994 0.98623 -0.12266 -0.03449 -0.09218 330 THR A CA   
86   C  C    . THR A 11  ? 0.68470 0.42067 0.57243 -0.10574 -0.01539 -0.07789 330 THR A C    
87   O  O    . THR A 11  ? 0.63848 0.39890 0.55763 -0.06545 0.00310  -0.06810 330 THR A O    
88   C  CB   . THR A 11  ? 0.91001 0.74098 0.79617 -0.16176 -0.06437 -0.06938 330 THR A CB   
89   O  OG1  . THR A 11  ? 1.11759 1.03054 1.07886 -0.13394 -0.05501 -0.03759 330 THR A OG1  
90   C  CG2  . THR A 11  ? 1.08145 0.93636 0.92339 -0.18203 -0.09005 -0.07869 330 THR A CG2  
91   H  H    . THR A 11  ? 1.00845 1.00845 1.00845 0.00000  0.00000  -0.00000 330 THR A H    
92   H  HA   . THR A 11  ? 1.20805 1.20805 1.20805 -0.00000 -0.00000 -0.00000 330 THR A HA   
93   H  HB   . THR A 11  ? 0.97948 0.97948 0.97948 0.00000  0.00000  -0.00000 330 THR A HB   
94   H  HG1  . THR A 11  ? 1.29141 1.29141 1.29141 0.00000  -0.00000 0.00000  330 THR A HG1  
95   H  HG21 . THR A 11  ? 1.17710 1.17710 1.17710 -0.00000 -0.00000 0.00000  330 THR A HG21 
96   H  HG22 . THR A 11  ? 1.17710 1.17710 1.17710 -0.00000 -0.00000 0.00000  330 THR A HG22 
97   H  HG23 . THR A 11  ? 1.17710 1.17710 1.17710 -0.00000 -0.00000 0.00000  330 THR A HG23 
98   N  N    . SER A 12  ? 1.02260 0.72532 0.91143 -0.13939 -0.02237 -0.07437 331 SER A N    
99   C  CA   . SER A 12  ? 0.73969 0.41934 0.65362 -0.12298 -0.00253 -0.05942 331 SER A CA   
100  C  C    . SER A 12  ? 0.71117 0.48638 0.69638 -0.11492 0.00075  -0.02677 331 SER A C    
101  O  O    . SER A 12  ? 0.68339 0.53044 0.70312 -0.14138 -0.01612 -0.01067 331 SER A O    
102  C  CB   . SER A 12  ? 0.77571 0.37324 0.65889 -0.16237 -0.00885 -0.06361 331 SER A CB   
103  O  OG   . SER A 12  ? 1.46007 1.03027 1.35973 -0.14428 0.01147  -0.04429 331 SER A OG   
104  H  H    . SER A 12  ? 1.06435 1.06435 1.06435 0.00000  -0.00000 0.00000  331 SER A H    
105  H  HA   . SER A 12  ? 0.72568 0.72568 0.72568 -0.00000 -0.00000 -0.00000 331 SER A HA   
106  H  HB2  . SER A 12  ? 0.72006 0.72006 0.72006 -0.00000 -0.00000 0.00000  331 SER A HB2  
107  H  HB3  . SER A 12  ? 0.72006 0.72006 0.72006 -0.00000 -0.00000 0.00000  331 SER A HB3  
108  H  HG   . SER A 12  ? 1.54064 1.54064 1.54064 -0.00000 -0.00000 0.00000  331 SER A HG   
109  N  N    . LEU A 13  ? 0.68852 0.46616 0.69109 -0.07658 0.02136  -0.01797 332 LEU A N    
110  C  CA   . LEU A 13  ? 0.65152 0.50517 0.70507 -0.06093 0.02884  0.00684  332 LEU A CA   
111  C  C    . LEU A 13  ? 0.55868 0.37674 0.60179 -0.03583 0.04734  0.01305  332 LEU A C    
112  O  O    . LEU A 13  ? 0.58314 0.37137 0.60916 -0.00201 0.05481  -0.00058 332 LEU A O    
113  C  CB   . LEU A 13  ? 0.73331 0.64263 0.81245 -0.03053 0.02747  0.00429  332 LEU A CB   
114  C  CG   . LEU A 13  ? 0.46911 0.43881 0.58680 -0.00250 0.03804  0.02061  332 LEU A CG   
115  C  CD1  . LEU A 13  ? 0.57447 0.60898 0.72736 -0.02615 0.03756  0.04839  332 LEU A CD1  
116  C  CD2  . LEU A 13  ? 0.48237 0.47976 0.61822 0.02692  0.03495  0.01454  332 LEU A CD2  
117  H  H    . LEU A 13  ? 0.73892 0.73892 0.73892 -0.00000 0.00000  0.00000  332 LEU A H    
118  H  HA   . LEU A 13  ? 0.74532 0.74532 0.74532 0.00000  0.00000  0.00000  332 LEU A HA   
119  H  HB2  . LEU A 13  ? 0.87597 0.87597 0.87597 0.00000  -0.00000 -0.00000 332 LEU A HB2  
120  H  HB3  . LEU A 13  ? 0.87597 0.87597 0.87597 0.00000  -0.00000 -0.00000 332 LEU A HB3  
121  H  HG   . LEU A 13  ? 0.59850 0.59850 0.59850 0.00000  -0.00000 0.00000  332 LEU A HG   
122  H  HD11 . LEU A 13  ? 0.76494 0.76494 0.76494 -0.00000 0.00000  0.00000  332 LEU A HD11 
123  H  HD12 . LEU A 13  ? 0.76494 0.76494 0.76494 -0.00000 0.00000  0.00000  332 LEU A HD12 
124  H  HD13 . LEU A 13  ? 0.76494 0.76494 0.76494 -0.00000 0.00000  0.00000  332 LEU A HD13 
125  H  HD21 . LEU A 13  ? 0.63276 0.63276 0.63276 -0.00000 0.00000  0.00000  332 LEU A HD21 
126  H  HD22 . LEU A 13  ? 0.63276 0.63276 0.63276 -0.00000 0.00000  0.00000  332 LEU A HD22 
127  H  HD23 . LEU A 13  ? 0.63276 0.63276 0.63276 -0.00000 0.00000  0.00000  332 LEU A HD23 
128  N  N    . ARG A 14  ? 0.77210 0.59578 0.82557 -0.05495 0.05356  0.03771  333 ARG A N    
129  C  CA   . ARG A 14  ? 0.79308 0.59312 0.83434 -0.02920 0.07104  0.05166  333 ARG A CA   
130  C  C    . ARG A 14  ? 0.58236 0.46382 0.65094 0.00022  0.08135  0.06566  333 ARG A C    
131  O  O    . ARG A 14  ? 0.59778 0.54666 0.70019 -0.01480 0.08287  0.08432  333 ARG A O    
132  C  CB   . ARG A 14  ? 0.76346 0.51957 0.79618 -0.06480 0.07521  0.07692  333 ARG A CB   
133  C  CG   . ARG A 14  ? 1.36681 1.01518 1.35787 -0.08975 0.06640  0.05819  333 ARG A CG   
134  C  CD   . ARG A 14  ? 1.50409 1.08114 1.47943 -0.11344 0.07379  0.08450  333 ARG A CD   
135  N  NE   . ARG A 14  ? 1.62216 1.19656 1.59044 -0.06894 0.09380  0.10628  333 ARG A NE   
136  C  CZ   . ARG A 14  ? 1.71281 1.22416 1.64764 -0.02708 0.10150  0.09449  333 ARG A CZ   
137  N  NH1  . ARG A 14  ? 1.59948 1.04146 1.50301 -0.01968 0.09663  0.06015  333 ARG A NH1  
138  N  NH2  . ARG A 14  ? 1.47471 1.00008 1.40632 0.01012  0.11480  0.11975  333 ARG A NH2  
139  H  H    . ARG A 14  ? 0.87799 0.87799 0.87799 -0.00000 -0.00000 0.00000  333 ARG A H    
140  H  HA   . ARG A 14  ? 0.88883 0.88883 0.88883 -0.00000 -0.00000 0.00000  333 ARG A HA   
141  H  HB2  . ARG A 14  ? 0.83230 0.83230 0.83230 -0.00000 -0.00000 -0.00000 333 ARG A HB2  
142  H  HB3  . ARG A 14  ? 0.83230 0.83230 0.83230 -0.00000 -0.00000 -0.00000 333 ARG A HB3  
143  H  HG2  . ARG A 14  ? 1.49656 1.49656 1.49656 -0.00000 -0.00000 -0.00000 333 ARG A HG2  
144  H  HG3  . ARG A 14  ? 1.49656 1.49656 1.49656 -0.00000 -0.00000 -0.00000 333 ARG A HG3  
145  H  HD2  . ARG A 14  ? 1.62648 1.62648 1.62648 -0.00000 0.00000  0.00000  333 ARG A HD2  
146  H  HD3  . ARG A 14  ? 1.62648 1.62648 1.62648 -0.00000 0.00000  0.00000  333 ARG A HD3  
147  H  HE   . ARG A 14  ? 1.76428 1.76428 1.76428 -0.00000 -0.00000 0.00000  333 ARG A HE   
148  H  HH11 . ARG A 14  ? 1.65819 1.65819 1.65819 -0.00000 -0.00000 -0.00000 333 ARG A HH11 
149  H  HH12 . ARG A 14  ? 1.65819 1.65819 1.65819 -0.00000 -0.00000 -0.00000 333 ARG A HH12 
150  H  HH21 . ARG A 14  ? 1.55306 1.55306 1.55306 -0.00000 -0.00000 -0.00000 333 ARG A HH21 
151  H  HH22 . ARG A 14  ? 1.55306 1.55306 1.55306 -0.00000 -0.00000 -0.00000 333 ARG A HH22 
152  N  N    . VAL A 15  ? 0.59214 0.46833 0.64454 0.04162  0.08726  0.05623  334 VAL A N    
153  C  CA   . VAL A 15  ? 0.49710 0.43585 0.55922 0.07373  0.09473  0.05865  334 VAL A CA   
154  C  C    . VAL A 15  ? 0.48285 0.42283 0.51950 0.09338  0.10856  0.07833  334 VAL A C    
155  O  O    . VAL A 15  ? 0.69490 0.59195 0.70528 0.10954  0.10487  0.07289  334 VAL A O    
156  C  CB   . VAL A 15  ? 0.44955 0.38721 0.51108 0.10162  0.08347  0.02822  334 VAL A CB   
157  C  CG1  . VAL A 15  ? 0.44915 0.42565 0.50434 0.13621  0.08876  0.02244  334 VAL A CG1  
158  C  CG2  . VAL A 15  ? 0.66476 0.61040 0.75064 0.08535  0.07236  0.01738  334 VAL A CG2  
159  H  H    . VAL A 15  ? 0.68262 0.68262 0.68262 -0.00000 -0.00000 -0.00000 334 VAL A H    
160  H  HA   . VAL A 15  ? 0.59748 0.59748 0.59748 -0.00000 0.00000  -0.00000 334 VAL A HA   
161  H  HB   . VAL A 15  ? 0.53975 0.53975 0.53975 -0.00000 0.00000  -0.00000 334 VAL A HB   
162  H  HG11 . VAL A 15  ? 0.55227 0.55227 0.55227 0.00000  -0.00000 -0.00000 334 VAL A HG11 
163  H  HG12 . VAL A 15  ? 0.55227 0.55227 0.55227 0.00000  -0.00000 -0.00000 334 VAL A HG12 
164  H  HG13 . VAL A 15  ? 0.55227 0.55227 0.55227 0.00000  -0.00000 -0.00000 334 VAL A HG13 
165  H  HG21 . VAL A 15  ? 0.81093 0.81093 0.81093 -0.00000 0.00000  0.00000  334 VAL A HG21 
166  H  HG22 . VAL A 15  ? 0.81093 0.81093 0.81093 -0.00000 0.00000  0.00000  334 VAL A HG22 
167  H  HG23 . VAL A 15  ? 0.81093 0.81093 0.81093 -0.00000 0.00000  0.00000  334 VAL A HG23 
168  N  N    . ASN A 16  ? 0.72072 0.71782 0.76666 0.09443  0.12514  0.10474  335 ASN A N    
169  C  CA   . ASN A 16  ? 0.59125 0.60235 0.60627 0.11736  0.14101  0.12737  335 ASN A CA   
170  C  C    . ASN A 16  ? 0.52422 0.56631 0.51260 0.16400  0.14060  0.10173  335 ASN A C    
171  O  O    . ASN A 16  ? 0.72704 0.81337 0.73040 0.17842  0.14606  0.09027  335 ASN A O    
172  C  CB   . ASN A 16  ? 0.56144 0.62531 0.59739 0.09592  0.16319  0.17356  335 ASN A CB   
173  C  CG   . ASN A 16  ? 0.74661 0.81294 0.74690 0.11123  0.18109  0.20847  335 ASN A CG   
174  O  OD1  . ASN A 16  ? 1.16160 1.22352 1.11701 0.15152  0.17947  0.19468  335 ASN A OD1  
175  N  ND2  . ASN A 16  ? 0.86814 0.94294 0.88812 0.07570  0.19577  0.25693  335 ASN A ND2  
176  H  H    . ASN A 16  ? 0.88269 0.88269 0.88269 0.00000  -0.00000 0.00000  335 ASN A H    
177  H  HA   . ASN A 16  ? 0.72057 0.72057 0.72057 0.00000  0.00000  0.00000  335 ASN A HA   
178  H  HB2  . ASN A 16  ? 0.71058 0.71058 0.71058 -0.00000 0.00000  0.00000  335 ASN A HB2  
179  H  HB3  . ASN A 16  ? 0.71058 0.71058 0.71058 -0.00000 0.00000  0.00000  335 ASN A HB3  
180  H  HD21 . ASN A 16  ? 1.08029 1.08029 1.08029 0.00000  0.00000  -0.00000 335 ASN A HD21 
181  H  HD22 . ASN A 16  ? 1.08029 1.08029 1.08029 0.00000  0.00000  -0.00000 335 ASN A HD22 
182  N  N    . PHE A 17  ? 0.71939 0.73552 0.66661 0.18826  0.13215  0.09252  336 PHE A N    
183  C  CA   . PHE A 17  ? 0.55547 0.58655 0.46846 0.22558  0.12282  0.06065  336 PHE A CA   
184  C  C    . PHE A 17  ? 0.80029 0.88780 0.68356 0.25426  0.14623  0.07026  336 PHE A C    
185  O  O    . PHE A 17  ? 0.65005 0.74464 0.50580 0.28486  0.14157  0.03603  336 PHE A O    
186  C  CB   . PHE A 17  ? 0.66242 0.66538 0.54084 0.23981  0.10345  0.05390  336 PHE A CB   
187  C  CG   . PHE A 17  ? 0.54182 0.50486 0.44741 0.22737  0.07981  0.03216  336 PHE A CG   
188  C  CD1  . PHE A 17  ? 0.68735 0.64319 0.62314 0.21829  0.06942  0.00311  336 PHE A CD1  
189  C  CD2  . PHE A 17  ? 0.90804 0.84553 0.81076 0.22865  0.07107  0.04613  336 PHE A CD2  
190  C  CE1  . PHE A 17  ? 0.63894 0.56823 0.60061 0.20730  0.05209  -0.01049 336 PHE A CE1  
191  C  CE2  . PHE A 17  ? 0.67065 0.58464 0.60157 0.22235  0.05510  0.03046  336 PHE A CE2  
192  C  CZ   . PHE A 17  ? 0.63195 0.54457 0.59204 0.20986  0.04632  0.00269  336 PHE A CZ   
193  H  H    . PHE A 17  ? 0.84923 0.84923 0.84923 0.00000  -0.00000 0.00000  336 PHE A H    
194  H  HA   . PHE A 17  ? 0.64111 0.64111 0.64111 0.00000  -0.00000 -0.00000 336 PHE A HA   
195  H  HB2  . PHE A 17  ? 0.74807 0.74807 0.74807 0.00000  0.00000  0.00000  336 PHE A HB2  
196  H  HB3  . PHE A 17  ? 0.74807 0.74807 0.74807 0.00000  0.00000  0.00000  336 PHE A HB3  
197  H  HD1  . PHE A 17  ? 0.78208 0.78208 0.78208 0.00000  0.00000  -0.00000 336 PHE A HD1  
198  H  HD2  . PHE A 17  ? 1.02635 1.02635 1.02635 -0.00000 -0.00000 -0.00000 336 PHE A HD2  
199  H  HE1  . PHE A 17  ? 0.72373 0.72373 0.72373 -0.00000 -0.00000 -0.00000 336 PHE A HE1  
200  H  HE2  . PHE A 17  ? 0.74336 0.74336 0.74336 -0.00000 -0.00000 0.00000  336 PHE A HE2  
201  H  HZ   . PHE A 17  ? 0.70804 0.70804 0.70804 -0.00000 -0.00000 0.00000  336 PHE A HZ   
202  N  N    . GLU A 18  ? 0.71879 0.84339 0.60483 0.24578  0.17265  0.11659  337 GLU A N    
203  C  CA   . GLU A 18  ? 0.66115 0.85396 0.52163 0.27671  0.20249  0.13236  337 GLU A CA   
204  C  C    . GLU A 18  ? 0.70874 0.94706 0.61311 0.28189  0.21648  0.12515  337 GLU A C    
205  O  O    . GLU A 18  ? 0.83511 1.11055 0.71008 0.32605  0.23377  0.10938  337 GLU A O    
206  C  CB   . GLU A 18  ? 0.70112 0.92869 0.56161 0.26154  0.22888  0.19437  337 GLU A CB   
207  C  CG   . GLU A 18  ? 0.97619 1.29099 0.81498 0.29375  0.26753  0.22153  337 GLU A CG   
208  C  CD   . GLU A 18  ? 1.34048 1.69674 1.19700 0.26778  0.29554  0.29395  337 GLU A CD   
209  O  OE1  . GLU A 18  ? 1.51028 1.81203 1.39202 0.22404  0.28220  0.31897  337 GLU A OE1  
210  O  OE2  . GLU A 18  ? 1.25465 1.68905 1.10256 0.28955  0.32670  0.32340  337 GLU A OE2  
211  H  H    . GLU A 18  ? 0.86742 0.86742 0.86742 -0.00000 -0.00000 -0.00000 337 GLU A H    
212  H  HA   . GLU A 18  ? 0.81295 0.81295 0.81295 -0.00000 0.00000  -0.00000 337 GLU A HA   
213  H  HB2  . GLU A 18  ? 0.87718 0.87718 0.87718 -0.00000 0.00000  -0.00000 337 GLU A HB2  
214  H  HB3  . GLU A 18  ? 0.87718 0.87718 0.87718 -0.00000 0.00000  -0.00000 337 GLU A HB3  
215  H  HG2  . GLU A 18  ? 1.23348 1.23348 1.23348 0.00000  0.00000  0.00000  337 GLU A HG2  
216  H  HG3  . GLU A 18  ? 1.23348 1.23348 1.23348 0.00000  0.00000  0.00000  337 GLU A HG3  
217  N  N    . ASP A 19  ? 0.92193 1.15721 0.89231 0.24081  0.20873  0.13607  338 ASP A N    
218  C  CA   . ASP A 19  ? 0.80953 1.10035 0.83015 0.24476  0.21937  0.13847  338 ASP A CA   
219  C  C    . ASP A 19  ? 0.71150 0.97234 0.71604 0.28175  0.20601  0.08754  338 ASP A C    
220  O  O    . ASP A 19  ? 0.99333 1.30103 1.01300 0.31418  0.22357  0.08586  338 ASP A O    
221  C  CB   . ASP A 19  ? 1.01904 1.31053 1.10534 0.18755  0.20574  0.15970  338 ASP A CB   
222  C  CG   . ASP A 19  ? 1.12512 1.43996 1.23258 0.14460  0.21807  0.21189  338 ASP A CG   
223  O  OD1  . ASP A 19  ? 1.09467 1.43316 1.17035 0.16199  0.24112  0.23849  338 ASP A OD1  
224  O  OD2  . ASP A 19  ? 1.11338 1.41931 1.26529 0.09161  0.20337  0.22700  338 ASP A OD2  
225  H  H    . ASP A 19  ? 1.18919 1.18919 1.18919 -0.00000 -0.00000 0.00000  338 ASP A H    
226  H  HA   . ASP A 19  ? 1.09663 1.09663 1.09663 -0.00000 0.00000  0.00000  338 ASP A HA   
227  H  HB2  . ASP A 19  ? 1.37458 1.37458 1.37458 0.00000  -0.00000 0.00000  338 ASP A HB2  
228  H  HB3  . ASP A 19  ? 1.37458 1.37458 1.37458 0.00000  -0.00000 0.00000  338 ASP A HB3  
229  N  N    . ILE A 20  ? 0.72317 0.90699 0.70019 0.27849  0.17611  0.04944  339 ILE A N    
230  C  CA   . ILE A 20  ? 0.63805 0.78102 0.60477 0.30297  0.15908  0.00441  339 ILE A CA   
231  C  C    . ILE A 20  ? 0.85700 0.97185 0.75075 0.33616  0.15303  -0.02814 339 ILE A C    
232  O  O    . ILE A 20  ? 0.76819 0.83063 0.64590 0.33916  0.12908  -0.06607 339 ILE A O    
233  C  CB   . ILE A 20  ? 0.63026 0.71275 0.61882 0.26966  0.12649  -0.01349 339 ILE A CB   
234  C  CG1  . ILE A 20  ? 0.75426 0.79891 0.70839 0.25887  0.11011  -0.01911 339 ILE A CG1  
235  C  CG2  . ILE A 20  ? 0.57651 0.67804 0.62275 0.22947  0.12580  0.01368  339 ILE A CG2  
236  C  CD1  . ILE A 20  ? 0.64767 0.64462 0.62362 0.23411  0.08327  -0.03438 339 ILE A CD1  
237  H  H    . ILE A 20  ? 0.93276 0.93276 0.93276 -0.00000 0.00000  -0.00000 339 ILE A H    
238  H  HA   . ILE A 20  ? 0.81015 0.81015 0.81015 -0.00000 -0.00000 0.00000  339 ILE A HA   
239  H  HB   . ILE A 20  ? 0.78534 0.78534 0.78534 -0.00000 0.00000  0.00000  339 ILE A HB   
240  H  HG12 . ILE A 20  ? 0.90524 0.90524 0.90524 0.00000  -0.00000 0.00000  339 ILE A HG12 
241  H  HG13 . ILE A 20  ? 0.90524 0.90524 0.90524 0.00000  -0.00000 0.00000  339 ILE A HG13 
242  H  HG21 . ILE A 20  ? 0.75154 0.75154 0.75154 0.00000  -0.00000 0.00000  339 ILE A HG21 
243  H  HG22 . ILE A 20  ? 0.75154 0.75154 0.75154 0.00000  -0.00000 0.00000  339 ILE A HG22 
244  H  HG23 . ILE A 20  ? 0.75154 0.75154 0.75154 0.00000  -0.00000 0.00000  339 ILE A HG23 
245  H  HD11 . ILE A 20  ? 0.76698 0.76698 0.76698 -0.00000 0.00000  0.00000  339 ILE A HD11 
246  H  HD12 . ILE A 20  ? 0.76698 0.76698 0.76698 -0.00000 0.00000  0.00000  339 ILE A HD12 
247  H  HD13 . ILE A 20  ? 0.76698 0.76698 0.76698 -0.00000 0.00000  0.00000  339 ILE A HD13 
248  N  N    . GLY A 21  ? 0.74727 0.89566 0.59595 0.35453  0.17246  -0.01015 340 GLY A N    
249  C  CA   . GLY A 21  ? 0.80816 0.93531 0.57887 0.38344  0.16342  -0.03930 340 GLY A CA   
250  C  C    . GLY A 21  ? 0.74898 0.82024 0.47954 0.37990  0.12809  -0.07310 340 GLY A C    
251  O  O    . GLY A 21  ? 1.13978 1.18124 0.81071 0.39751  0.10904  -0.10930 340 GLY A O    
252  H  H    . GLY A 21  ? 0.89617 0.89617 0.89617 -0.00000 -0.00000 0.00000  340 GLY A H    
253  H  HA2  . GLY A 21  ? 0.92955 0.92955 0.92955 -0.00000 -0.00000 0.00000  340 GLY A HA2  
254  H  HA3  . GLY A 21  ? 0.92955 0.92955 0.92955 -0.00000 -0.00000 0.00000  340 GLY A HA3  
255  N  N    . TRP A 22  ? 0.69105 0.74649 0.45890 0.34827  0.11269  -0.05881 341 TRP A N    
256  C  CA   . TRP A 22  ? 0.72189 0.73985 0.46887 0.33665  0.07521  -0.07886 341 TRP A CA   
257  C  C    . TRP A 22  ? 0.80710 0.84933 0.51677 0.34012  0.07621  -0.04830 341 TRP A C    
258  O  O    . TRP A 22  ? 0.86717 0.89424 0.56190 0.33449  0.04494  -0.05723 341 TRP A O    
259  C  CB   . TRP A 22  ? 0.71215 0.69980 0.52643 0.29973  0.05568  -0.07754 341 TRP A CB   
260  C  CG   . TRP A 22  ? 0.74310 0.69491 0.58097 0.29619  0.03968  -0.11254 341 TRP A CG   
261  C  CD1  . TRP A 22  ? 0.71394 0.65256 0.53191 0.31585  0.04447  -0.13743 341 TRP A CD1  
262  C  CD2  . TRP A 22  ? 0.62775 0.55060 0.51536 0.26750  0.01727  -0.11916 341 TRP A CD2  
263  N  NE1  . TRP A 22  ? 0.71702 0.61575 0.57289 0.29374  0.02475  -0.15409 341 TRP A NE1  
264  C  CE2  . TRP A 22  ? 0.86033 0.75181 0.75687 0.26876  0.00884  -0.14521 341 TRP A CE2  
265  C  CE3  . TRP A 22  ? 0.77312 0.69495 0.69804 0.24152  0.00677  -0.10132 341 TRP A CE3  
266  C  CZ2  . TRP A 22  ? 0.55804 0.42219 0.50074 0.24157  -0.00971 -0.14946 341 TRP A CZ2  
267  C  CZ3  . TRP A 22  ? 0.55761 0.45817 0.52594 0.22103  -0.00958 -0.11023 341 TRP A CZ3  
268  C  CH2  . TRP A 22  ? 0.50982 0.38221 0.48714 0.22206  -0.01852 -0.13391 341 TRP A CH2  
269  H  H    . TRP A 22  ? 0.75550 0.75550 0.75550 0.00000  -0.00000 -0.00000 341 TRP A H    
270  H  HA   . TRP A 22  ? 0.77286 0.77286 0.77286 -0.00000 -0.00000 -0.00000 341 TRP A HA   
271  H  HB2  . TRP A 22  ? 0.77597 0.77597 0.77597 -0.00000 -0.00000 0.00000  341 TRP A HB2  
272  H  HB3  . TRP A 22  ? 0.77597 0.77597 0.77597 -0.00000 -0.00000 0.00000  341 TRP A HB3  
273  H  HD1  . TRP A 22  ? 0.75998 0.75998 0.75998 -0.00000 0.00000  0.00000  341 TRP A HD1  
274  H  HE1  . TRP A 22  ? 0.76288 0.76288 0.76288 -0.00000 -0.00000 -0.00000 341 TRP A HE1  
275  H  HE3  . TRP A 22  ? 0.86706 0.86706 0.86706 0.00000  -0.00000 -0.00000 341 TRP A HE3  
276  H  HZ2  . TRP A 22  ? 0.58932 0.58932 0.58932 0.00000  0.00000  0.00000  341 TRP A HZ2  
277  H  HZ3  . TRP A 22  ? 0.61730 0.61730 0.61730 -0.00000 0.00000  -0.00000 341 TRP A HZ3  
278  H  HH2  . TRP A 22  ? 0.54924 0.54924 0.54924 0.00000  -0.00000 -0.00000 341 TRP A HH2  
279  N  N    . ASP A 23  ? 1.00611 1.09145 0.70488 0.34909  0.11107  -0.00685 342 ASP A N    
280  C  CA   . ASP A 23  ? 1.12072 1.22720 0.77991 0.35580  0.11500  0.02992  342 ASP A CA   
281  C  C    . ASP A 23  ? 1.03081 1.15092 0.59843 0.39189  0.10087  0.00481  342 ASP A C    
282  O  O    . ASP A 23  ? 1.00931 1.14670 0.53777 0.39971  0.09394  0.03225  342 ASP A O    
283  C  CB   . ASP A 23  ? 1.03914 1.18880 0.71439 0.35082  0.15741  0.08663  342 ASP A CB   
284  C  CG   . ASP A 23  ? 1.38861 1.59054 1.04156 0.38045  0.19076  0.08350  342 ASP A CG   
285  O  OD1  . ASP A 23  ? 1.38638 1.57468 1.03551 0.39796  0.18422  0.03647  342 ASP A OD1  
286  O  OD2  . ASP A 23  ? 1.43196 1.68900 1.07298 0.38846  0.22583  0.13163  342 ASP A OD2  
287  H  H    . ASP A 23  ? 1.12159 1.12159 1.12159 0.00000  -0.00000 0.00000  342 ASP A H    
288  H  HA   . ASP A 23  ? 1.25175 1.25175 1.25175 0.00000  0.00000  -0.00000 342 ASP A HA   
289  H  HB2  . ASP A 23  ? 1.17755 1.17755 1.17755 -0.00000 -0.00000 -0.00000 342 ASP A HB2  
290  H  HB3  . ASP A 23  ? 1.17755 1.17755 1.17755 -0.00000 -0.00000 -0.00000 342 ASP A HB3  
291  N  N    . SER A 24  ? 1.34883 1.45642 0.87607 0.41537  0.09498  -0.04689 343 SER A N    
292  C  CA   . SER A 24  ? 1.57290 1.68132 0.99909 0.44775  0.07627  -0.08163 343 SER A CA   
293  C  C    . SER A 24  ? 1.37959 1.46242 0.79745 0.42807  0.02103  -0.10251 343 SER A C    
294  O  O    . SER A 24  ? 1.68312 1.78129 1.01967 0.44632  -0.00158 -0.11443 343 SER A O    
295  C  CB   . SER A 24  ? 1.54778 1.62911 0.95986 0.46213  0.07777  -0.12602 343 SER A CB   
296  O  OG   . SER A 24  ? 1.66576 1.69191 1.12872 0.44123  0.05670  -0.16165 343 SER A OG   
297  H  H    . SER A 24  ? 1.47314 1.47314 1.47314 -0.00000 -0.00000 0.00000  343 SER A H    
298  H  HA   . SER A 24  ? 1.70194 1.70194 1.70194 -0.00000 -0.00000 0.00000  343 SER A HA   
299  H  HB2  . SER A 24  ? 1.65532 1.65532 1.65532 -0.00000 -0.00000 -0.00000 343 SER A HB2  
300  H  HB3  . SER A 24  ? 1.65532 1.65532 1.65532 -0.00000 -0.00000 -0.00000 343 SER A HB3  
301  H  HG   . SER A 24  ? 1.79517 1.79517 1.79517 -0.00000 -0.00000 -0.00000 343 SER A HG   
302  N  N    . TRP A 25  ? 0.98931 1.04289 0.48903 0.39216  -0.00125 -0.10459 344 TRP A N    
303  C  CA   . TRP A 25  ? 1.23165 1.27598 0.74070 0.37233  -0.05195 -0.11936 344 TRP A CA   
304  C  C    . TRP A 25  ? 1.36276 1.41720 0.95136 0.34871  -0.05316 -0.07468 344 TRP A C    
305  O  O    . TRP A 25  ? 1.19337 1.25840 0.80003 0.33694  -0.09061 -0.07522 344 TRP A O    
306  C  CB   . TRP A 25  ? 1.13403 1.12803 0.65663 0.35460  -0.08546 -0.17731 344 TRP A CB   
307  C  CG   . TRP A 25  ? 1.17233 1.13902 0.78810 0.32800  -0.07464 -0.17222 344 TRP A CG   
308  C  CD1  . TRP A 25  ? 1.51907 1.47237 1.16394 0.33341  -0.03773 -0.16801 344 TRP A CD1  
309  C  CD2  . TRP A 25  ? 1.06578 1.02501 0.75581 0.29378  -0.10111 -0.16761 344 TRP A CD2  
310  N  NE1  . TRP A 25  ? 1.19062 1.12378 0.91531 0.30392  -0.04207 -0.16280 344 TRP A NE1  
311  C  CE2  . TRP A 25  ? 1.16734 1.10275 0.91940 0.28048  -0.07781 -0.16252 344 TRP A CE2  
312  C  CE3  . TRP A 25  ? 1.31161 1.29282 1.02416 0.27486  -0.14135 -0.16317 344 TRP A CE3  
313  C  CZ2  . TRP A 25  ? 0.99148 0.91919 0.81733 0.25083  -0.09029 -0.15477 344 TRP A CZ2  
314  C  CZ3  . TRP A 25  ? 1.14411 1.12368 0.93993 0.24603  -0.15127 -0.15314 344 TRP A CZ3  
315  C  CH2  . TRP A 25  ? 1.30259 1.25284 1.14958 0.23510  -0.12431 -0.14988 344 TRP A CH2  
316  H  H    . TRP A 25  ? 1.00911 1.00911 1.00911 -0.00000 -0.00000 0.00000  344 TRP A H    
317  H  HA   . TRP A 25  ? 1.29995 1.29995 1.29995 -0.00000 -0.00000 -0.00000 344 TRP A HA   
318  H  HB2  . TRP A 25  ? 1.16809 1.16809 1.16809 0.00000  0.00000  0.00000  344 TRP A HB2  
319  H  HB3  . TRP A 25  ? 1.16809 1.16809 1.16809 0.00000  0.00000  0.00000  344 TRP A HB3  
320  H  HD1  . TRP A 25  ? 1.66277 1.66277 1.66277 0.00000  -0.00000 0.00000  344 TRP A HD1  
321  H  HE1  . TRP A 25  ? 1.29250 1.29250 1.29250 0.00000  0.00000  0.00000  344 TRP A HE1  
322  H  HE3  . TRP A 25  ? 1.45205 1.45205 1.45205 -0.00000 -0.00000 -0.00000 344 TRP A HE3  
323  H  HZ2  . TRP A 25  ? 1.09181 1.09181 1.09181 -0.00000 0.00000  0.00000  344 TRP A HZ2  
324  H  HZ3  . TRP A 25  ? 1.28370 1.28370 1.28370 -0.00000 -0.00000 0.00000  344 TRP A HZ3  
325  H  HH2  . TRP A 25  ? 1.48262 1.48262 1.48262 -0.00000 0.00000  0.00000  344 TRP A HH2  
326  N  N    . ILE A 26  ? 0.80498 0.85705 0.44039 0.34207  -0.01442 -0.03680 345 ILE A N    
327  C  CA   . ILE A 26  ? 0.74993 0.79496 0.44747 0.32502  -0.01086 0.00096  345 ILE A CA   
328  C  C    . ILE A 26  ? 0.78010 0.84123 0.45497 0.33838  0.01671  0.05592  345 ILE A C    
329  O  O    . ILE A 26  ? 0.78580 0.85168 0.45395 0.33853  0.05191  0.07591  345 ILE A O    
330  C  CB   . ILE A 26  ? 0.67694 0.68968 0.44326 0.29953  0.00544  -0.00401 345 ILE A CB   
331  C  CG1  . ILE A 26  ? 0.66098 0.65627 0.45643 0.28471  -0.02311 -0.04738 345 ILE A CG1  
332  C  CG2  . ILE A 26  ? 0.64519 0.64001 0.45542 0.28813  0.01689  0.03346  345 ILE A CG2  
333  C  CD1  . ILE A 26  ? 0.64224 0.61184 0.49975 0.26186  -0.00969 -0.04909 345 ILE A CD1  
334  H  H    . ILE A 26  ? 0.83879 0.83879 0.83879 -0.00000 -0.00000 -0.00000 345 ILE A H    
335  H  HA   . ILE A 26  ? 0.79387 0.79387 0.79387 -0.00000 -0.00000 -0.00000 345 ILE A HA   
336  H  HB   . ILE A 26  ? 0.72142 0.72142 0.72142 -0.00000 -0.00000 0.00000  345 ILE A HB   
337  H  HG12 . ILE A 26  ? 0.71009 0.71009 0.71009 -0.00000 -0.00000 -0.00000 345 ILE A HG12 
338  H  HG13 . ILE A 26  ? 0.71009 0.71009 0.71009 -0.00000 -0.00000 -0.00000 345 ILE A HG13 
339  H  HG21 . ILE A 26  ? 0.69351 0.69351 0.69351 -0.00000 -0.00000 -0.00000 345 ILE A HG21 
340  H  HG22 . ILE A 26  ? 0.69351 0.69351 0.69351 -0.00000 -0.00000 -0.00000 345 ILE A HG22 
341  H  HG23 . ILE A 26  ? 0.69351 0.69351 0.69351 -0.00000 -0.00000 -0.00000 345 ILE A HG23 
342  H  HD11 . ILE A 26  ? 0.70215 0.70215 0.70215 -0.00000 -0.00000 0.00000  345 ILE A HD11 
343  H  HD12 . ILE A 26  ? 0.70215 0.70215 0.70215 -0.00000 -0.00000 0.00000  345 ILE A HD12 
344  H  HD13 . ILE A 26  ? 0.70215 0.70215 0.70215 -0.00000 -0.00000 0.00000  345 ILE A HD13 
345  N  N    . ILE A 27  ? 0.92711 1.00047 0.59563 0.34927  0.00075  0.08567  346 ILE A N    
346  C  CA   . ILE A 27  ? 0.86361 0.94187 0.51099 0.36295  0.02529  0.14465  346 ILE A CA   
347  C  C    . ILE A 27  ? 0.81542 0.84242 0.52136 0.34282  0.05092  0.17456  346 ILE A C    
348  O  O    . ILE A 27  ? 0.92030 0.93285 0.62489 0.33295  0.08322  0.20797  346 ILE A O    
349  C  CB   . ILE A 27  ? 0.89861 1.00998 0.51381 0.38839  -0.00293 0.16961  346 ILE A CB   
350  C  CG1  . ILE A 27  ? 0.94691 1.10337 0.49722 0.40137  -0.03813 0.12972  346 ILE A CG1  
351  C  CG2  . ILE A 27  ? 0.95726 1.07049 0.54262 0.40622  0.02388  0.23654  346 ILE A CG2  
352  C  CD1  . ILE A 27  ? 1.15658 1.35959 0.67777 0.42220  -0.07543 0.15237  346 ILE A CD1  
353  H  H    . ILE A 27  ? 1.00990 1.00990 1.00990 -0.00000 0.00000  -0.00000 346 ILE A H    
354  H  HA   . ILE A 27  ? 0.92720 0.92720 0.92720 -0.00000 -0.00000 -0.00000 346 ILE A HA   
355  H  HB   . ILE A 27  ? 0.96588 0.96588 0.96588 -0.00000 -0.00000 0.00000  346 ILE A HB   
356  H  HG12 . ILE A 27  ? 1.01592 1.01592 1.01592 -0.00000 0.00000  -0.00000 346 ILE A HG12 
357  H  HG13 . ILE A 27  ? 1.01592 1.01592 1.01592 -0.00000 0.00000  -0.00000 346 ILE A HG13 
358  H  HG21 . ILE A 27  ? 1.02507 1.02507 1.02507 0.00000  -0.00000 0.00000  346 ILE A HG21 
359  H  HG22 . ILE A 27  ? 1.02507 1.02507 1.02507 0.00000  -0.00000 0.00000  346 ILE A HG22 
360  H  HG23 . ILE A 27  ? 1.02507 1.02507 1.02507 0.00000  -0.00000 0.00000  346 ILE A HG23 
361  H  HD11 . ILE A 27  ? 1.27819 1.27819 1.27819 -0.00000 -0.00000 0.00000  346 ILE A HD11 
362  H  HD12 . ILE A 27  ? 1.27819 1.27819 1.27819 -0.00000 -0.00000 0.00000  346 ILE A HD12 
363  H  HD13 . ILE A 27  ? 1.27819 1.27819 1.27819 -0.00000 -0.00000 0.00000  346 ILE A HD13 
364  N  N    . ALA A 28  ? 0.76875 0.76809 0.52453 0.33520  0.03668  0.16307  347 ALA A N    
365  C  CA   . ALA A 28  ? 0.75437 0.69355 0.55170 0.32109  0.05739  0.18351  347 ALA A CA   
366  C  C    . ALA A 28  ? 0.73853 0.66008 0.58534 0.30529  0.04665  0.14481  347 ALA A C    
367  O  O    . ALA A 28  ? 0.68401 0.64115 0.54343 0.31097  0.01931  0.11857  347 ALA A O    
368  C  CB   . ALA A 28  ? 1.00404 0.92149 0.79635 0.34702  0.05958  0.23099  347 ALA A CB   
369  H  H    . ALA A 28  ? 0.82147 0.82147 0.82147 -0.00000 0.00000  0.00000  347 ALA A H    
370  H  HA   . ALA A 28  ? 0.79677 0.79677 0.79677 -0.00000 0.00000  0.00000  347 ALA A HA   
371  H  HB1  . ALA A 28  ? 1.08936 1.08936 1.08936 0.00000  -0.00000 0.00000  347 ALA A HB1  
372  H  HB2  . ALA A 28  ? 1.08936 1.08936 1.08936 0.00000  -0.00000 0.00000  347 ALA A HB2  
373  H  HB3  . ALA A 28  ? 1.08936 1.08936 1.08936 0.00000  -0.00000 0.00000  347 ALA A HB3  
374  N  N    . PRO A 29  ? 0.71397 0.58264 0.58771 0.28225  0.06609  0.14221  348 PRO A N    
375  C  CA   . PRO A 29  ? 0.70779 0.52893 0.57411 0.26315  0.09274  0.17067  348 PRO A CA   
376  C  C    . PRO A 29  ? 0.69064 0.54374 0.55308 0.24022  0.10374  0.16453  348 PRO A C    
377  O  O    . PRO A 29  ? 0.82996 0.72516 0.69525 0.24163  0.09316  0.13136  348 PRO A O    
378  C  CB   . PRO A 29  ? 0.91353 0.66889 0.80728 0.24736  0.09882  0.15710  348 PRO A CB   
379  C  CG   . PRO A 29  ? 0.77843 0.56844 0.69903 0.24442  0.08206  0.11474  348 PRO A CG   
380  C  CD   . PRO A 29  ? 0.62380 0.47625 0.53751 0.27033  0.05979  0.11107  348 PRO A CD   
381  H  HA   . PRO A 29  ? 0.72148 0.72148 0.72148 -0.00000 -0.00000 0.00000  348 PRO A HA   
382  H  HB2  . PRO A 29  ? 0.95649 0.95649 0.95649 -0.00000 -0.00000 0.00000  348 PRO A HB2  
383  H  HB3  . PRO A 29  ? 0.95649 0.95649 0.95649 -0.00000 -0.00000 0.00000  348 PRO A HB3  
384  H  HG2  . PRO A 29  ? 0.81897 0.81897 0.81897 0.00000  0.00000  0.00000  348 PRO A HG2  
385  H  HG3  . PRO A 29  ? 0.81897 0.81897 0.81897 0.00000  0.00000  0.00000  348 PRO A HG3  
386  H  HD2  . PRO A 29  ? 0.65195 0.65195 0.65195 -0.00000 0.00000  -0.00000 348 PRO A HD2  
387  H  HD3  . PRO A 29  ? 0.65195 0.65195 0.65195 -0.00000 0.00000  -0.00000 348 PRO A HD3  
388  N  N    . LYS A 30  ? 0.77890 0.61354 0.63811 0.21959  0.12576  0.19933  349 LYS A N    
389  C  CA   . LYS A 30  ? 0.97653 0.85771 0.84438 0.19939  0.13953  0.20051  349 LYS A CA   
390  C  C    . LYS A 30  ? 0.82852 0.70049 0.73676 0.16930  0.13445  0.16813  349 LYS A C    
391  O  O    . LYS A 30  ? 0.80685 0.73083 0.72764 0.16848  0.13596  0.15034  349 LYS A O    
392  C  CB   . LYS A 30  ? 1.12427 1.00033 0.98799 0.17980  0.16385  0.25571  349 LYS A CB   
393  C  CG   . LYS A 30  ? 1.64142 1.42634 1.52059 0.14841  0.16682  0.27654  349 LYS A CG   
394  C  CD   . LYS A 30  ? 1.62946 1.40719 1.50912 0.12150  0.18881  0.33647  349 LYS A CD   
395  C  CE   . LYS A 30  ? 1.57207 1.23641 1.45974 0.08678  0.18821  0.35244  349 LYS A CE   
396  N  NZ   . LYS A 30  ? 1.47903 1.11044 1.39568 0.04609  0.17496  0.31152  349 LYS A NZ   
397  H  H    . LYS A 30  ? 0.81284 0.81284 0.81284 -0.00000 -0.00000 0.00000  349 LYS A H    
398  H  HA   . LYS A 30  ? 1.07206 1.07206 1.07206 0.00000  0.00000  -0.00000 349 LYS A HA   
399  H  HB2  . LYS A 30  ? 1.24565 1.24565 1.24565 0.00000  -0.00000 0.00000  349 LYS A HB2  
400  H  HB3  . LYS A 30  ? 1.24565 1.24565 1.24565 0.00000  -0.00000 0.00000  349 LYS A HB3  
401  H  HG2  . LYS A 30  ? 1.83596 1.83596 1.83596 -0.00000 -0.00000 -0.00000 349 LYS A HG2  
402  H  HG3  . LYS A 30  ? 1.83596 1.83596 1.83596 -0.00000 -0.00000 -0.00000 349 LYS A HG3  
403  H  HD2  . LYS A 30  ? 1.81892 1.81892 1.81892 -0.00000 0.00000  -0.00000 349 LYS A HD2  
404  H  HD3  . LYS A 30  ? 1.81892 1.81892 1.81892 -0.00000 0.00000  -0.00000 349 LYS A HD3  
405  H  HE2  . LYS A 30  ? 1.70790 1.70790 1.70790 0.00000  0.00000  0.00000  349 LYS A HE2  
406  H  HE3  . LYS A 30  ? 1.70790 1.70790 1.70790 0.00000  0.00000  0.00000  349 LYS A HE3  
407  H  HZ1  . LYS A 30  ? 1.59467 1.59467 1.59467 -0.00000 -0.00000 0.00000  349 LYS A HZ1  
408  H  HZ2  . LYS A 30  ? 1.59467 1.59467 1.59467 -0.00000 -0.00000 0.00000  349 LYS A HZ2  
409  H  HZ3  . LYS A 30  ? 1.59467 1.59467 1.59467 -0.00000 -0.00000 0.00000  349 LYS A HZ3  
410  N  N    . GLU A 31  ? 0.90324 0.70838 0.82678 0.14903  0.12905  0.16053  350 GLU A N    
411  C  CA   . GLU A 31  ? 0.72031 0.51488 0.67283 0.12041  0.12171  0.13186  350 GLU A CA   
412  C  C    . GLU A 31  ? 0.73681 0.48054 0.68737 0.13147  0.11007  0.10452  350 GLU A C    
413  O  O    . GLU A 31  ? 0.83377 0.53922 0.76702 0.15527  0.11124  0.11456  350 GLU A O    
414  C  CB   . GLU A 31  ? 0.73256 0.49961 0.70053 0.07253  0.12930  0.15336  350 GLU A CB   
415  C  CG   . GLU A 31  ? 1.22194 1.05655 1.20549 0.05778  0.14483  0.18924  350 GLU A CG   
416  C  CD   . GLU A 31  ? 1.44290 1.25461 1.45113 0.00080  0.14735  0.21621  350 GLU A CD   
417  O  OE1  . GLU A 31  ? 1.51975 1.24676 1.52032 -0.02630 0.13504  0.20124  350 GLU A OE1  
418  O  OE2  . GLU A 31  ? 1.22529 1.10500 1.25939 -0.01756 0.16137  0.25234  350 GLU A OE2  
419  H  H    . GLU A 31  ? 0.97598 0.97598 0.97598 0.00000  0.00000  -0.00000 350 GLU A H    
420  H  HA   . GLU A 31  ? 0.76383 0.76383 0.76383 -0.00000 0.00000  0.00000  350 GLU A HA   
421  H  HB2  . GLU A 31  ? 0.77369 0.77369 0.77369 0.00000  0.00000  -0.00000 350 GLU A HB2  
422  H  HB3  . GLU A 31  ? 0.77369 0.77369 0.77369 0.00000  0.00000  -0.00000 350 GLU A HB3  
423  H  HG2  . GLU A 31  ? 1.39421 1.39421 1.39421 -0.00000 -0.00000 0.00000  350 GLU A HG2  
424  H  HG3  . GLU A 31  ? 1.39421 1.39421 1.39421 -0.00000 -0.00000 0.00000  350 GLU A HG3  
425  N  N    . TYR A 32  ? 0.78930 0.54003 0.75919 0.11771  0.10097  0.07454  351 TYR A N    
426  C  CA   . TYR A 32  ? 0.56884 0.28097 0.53734 0.12702  0.09507  0.05161  351 TYR A CA   
427  C  C    . TYR A 32  ? 0.68678 0.39651 0.66731 0.09740  0.08924  0.03038  351 TYR A C    
428  O  O    . TYR A 32  ? 0.65979 0.41557 0.65987 0.07785  0.08541  0.03119  351 TYR A O    
429  C  CB   . TYR A 32  ? 0.80833 0.56084 0.78678 0.16043  0.08484  0.03917  351 TYR A CB   
430  C  CG   . TYR A 32  ? 0.49243 0.28955 0.49522 0.15436  0.07305  0.01526  351 TYR A CG   
431  C  CD1  . TYR A 32  ? 0.50636 0.34731 0.51449 0.15245  0.06973  0.01246  351 TYR A CD1  
432  C  CD2  . TYR A 32  ? 0.49732 0.29051 0.51588 0.15471  0.06814  -0.00145 351 TYR A CD2  
433  C  CE1  . TYR A 32  ? 0.65552 0.52269 0.68414 0.15101  0.05967  -0.00748 351 TYR A CE1  
434  C  CE2  . TYR A 32  ? 0.56606 0.39280 0.60798 0.14818  0.05764  -0.01662 351 TYR A CE2  
435  C  CZ   . TYR A 32  ? 0.45772 0.31518 0.50463 0.14641  0.05230  -0.02013 351 TYR A CZ   
436  O  OH   . TYR A 32  ? 0.50594 0.38270 0.57439 0.14376  0.04253  -0.03350 351 TYR A OH   
437  H  H    . TYR A 32  ? 0.83602 0.83602 0.83602 -0.00000 -0.00000 -0.00000 351 TYR A H    
438  H  HA   . TYR A 32  ? 0.55178 0.55178 0.55178 -0.00000 0.00000  0.00000  351 TYR A HA   
439  H  HB2  . TYR A 32  ? 0.86299 0.86299 0.86299 0.00000  -0.00000 0.00000  351 TYR A HB2  
440  H  HB3  . TYR A 32  ? 0.86299 0.86299 0.86299 0.00000  -0.00000 0.00000  351 TYR A HB3  
441  H  HD1  . TYR A 32  ? 0.54788 0.54788 0.54788 0.00000  -0.00000 -0.00000 351 TYR A HD1  
442  H  HD2  . TYR A 32  ? 0.52210 0.52210 0.52210 -0.00000 -0.00000 -0.00000 351 TYR A HD2  
443  H  HE1  . TYR A 32  ? 0.74555 0.74555 0.74555 -0.00000 0.00000  -0.00000 351 TYR A HE1  
444  H  HE2  . TYR A 32  ? 0.62735 0.62735 0.62735 0.00000  -0.00000 0.00000  351 TYR A HE2  
445  H  HH   . TYR A 32  ? 0.58583 0.58583 0.58583 0.00000  0.00000  0.00000  351 TYR A HH   
446  N  N    . GLU A 33  ? 0.82112 0.48125 0.78713 0.09877  0.08985  0.01351  352 GLU A N    
447  C  CA   . GLU A 33  ? 0.56858 0.22188 0.53247 0.07248  0.08300  -0.00667 352 GLU A CA   
448  C  C    . GLU A 33  ? 0.91115 0.61792 0.89871 0.08869  0.07671  -0.02041 352 GLU A C    
449  O  O    . GLU A 33  ? 0.80822 0.51009 0.79517 0.11475  0.08130  -0.02670 352 GLU A O    
450  C  CB   . GLU A 33  ? 0.65521 0.22066 0.57687 0.06843  0.08915  -0.02072 352 GLU A CB   
451  C  CG   . GLU A 33  ? 0.90782 0.46298 0.81155 0.03979  0.07928  -0.04387 352 GLU A CG   
452  C  CD   . GLU A 33  ? 0.79720 0.36778 0.71043 -0.01105 0.06370  -0.03645 352 GLU A CD   
453  O  OE1  . GLU A 33  ? 1.07769 0.62381 0.99339 -0.03071 0.06536  -0.01675 352 GLU A OE1  
454  O  OE2  . GLU A 33  ? 1.02500 0.63966 0.94758 -0.03165 0.04963  -0.04489 352 GLU A OE2  
455  H  H    . GLU A 33  ? 0.83642 0.83642 0.83642 0.00000  0.00000  0.00000  352 GLU A H    
456  H  HA   . GLU A 33  ? 0.52609 0.52609 0.52609 -0.00000 -0.00000 -0.00000 352 GLU A HA   
457  H  HB2  . GLU A 33  ? 0.58171 0.58171 0.58171 0.00000  -0.00000 -0.00000 352 GLU A HB2  
458  H  HB3  . GLU A 33  ? 0.58171 0.58171 0.58171 0.00000  -0.00000 -0.00000 352 GLU A HB3  
459  H  HG2  . GLU A 33  ? 0.87356 0.87356 0.87356 -0.00000 0.00000  0.00000  352 GLU A HG2  
460  H  HG3  . GLU A 33  ? 0.87356 0.87356 0.87356 -0.00000 0.00000  0.00000  352 GLU A HG3  
461  N  N    . ALA A 34  ? 0.46207 0.22184 0.47487 0.07404  0.06728  -0.02049 353 ALA A N    
462  C  CA   . ALA A 34  ? 0.43775 0.23768 0.47419 0.08524  0.06030  -0.02913 353 ALA A CA   
463  C  C    . ALA A 34  ? 0.42542 0.22511 0.45555 0.06731  0.05539  -0.03744 353 ALA A C    
464  O  O    . ALA A 34  ? 0.65582 0.47718 0.70037 0.07743  0.05318  -0.04008 353 ALA A O    
465  C  CB   . ALA A 34  ? 0.38224 0.23232 0.44582 0.09056  0.05450  -0.02384 353 ALA A CB   
466  H  H    . ALA A 34  ? 0.46044 0.46044 0.46044 -0.00000 -0.00000 0.00000  353 ALA A H    
467  H  HA   . ALA A 34  ? 0.46047 0.46047 0.46047 -0.00000 -0.00000 -0.00000 353 ALA A HA   
468  H  HB1  . ALA A 34  ? 0.42477 0.42477 0.42477 -0.00000 -0.00000 0.00000  353 ALA A HB1  
469  H  HB2  . ALA A 34  ? 0.42477 0.42477 0.42477 -0.00000 -0.00000 0.00000  353 ALA A HB2  
470  H  HB3  . ALA A 34  ? 0.42477 0.42477 0.42477 -0.00000 -0.00000 0.00000  353 ALA A HB3  
471  N  N    . TYR A 35  ? 0.45823 0.23567 0.46606 0.03787  0.05139  -0.03934 354 TYR A N    
472  C  CA   . TYR A 35  ? 0.51696 0.30087 0.50985 0.01682  0.04113  -0.04715 354 TYR A CA   
473  C  C    . TYR A 35  ? 0.42221 0.27507 0.45496 0.01683  0.03077  -0.03472 354 TYR A C    
474  O  O    . TYR A 35  ? 0.38972 0.27403 0.45720 0.03565  0.03327  -0.02569 354 TYR A O    
475  C  CB   . TYR A 35  ? 0.50351 0.25356 0.46157 0.03380  0.05062  -0.06249 354 TYR A CB   
476  C  CG   . TYR A 35  ? 0.59766 0.27122 0.51175 0.04405  0.06442  -0.07571 354 TYR A CG   
477  C  CD1  . TYR A 35  ? 0.65327 0.26149 0.51614 0.01697  0.05894  -0.09191 354 TYR A CD1  
478  C  CD2  . TYR A 35  ? 0.67417 0.33804 0.59784 0.08111  0.08086  -0.07123 354 TYR A CD2  
479  C  CE1  . TYR A 35  ? 0.78225 0.30262 0.59998 0.03120  0.07317  -0.10496 354 TYR A CE1  
480  C  CE2  . TYR A 35  ? 0.63193 0.22501 0.51766 0.09925  0.09586  -0.07889 354 TYR A CE2  
481  C  CZ   . TYR A 35  ? 0.71862 0.23631 0.55064 0.07610  0.09298  -0.09609 354 TYR A CZ   
482  O  OH   . TYR A 35  ? 0.89280 0.36677 0.70273 0.09161  0.09938  -0.09849 354 TYR A OH   
483  H  H    . TYR A 35  ? 0.46091 0.46091 0.46091 0.00000  -0.00000 -0.00000 354 TYR A H    
484  H  HA   . TYR A 35  ? 0.53168 0.53168 0.53168 -0.00000 -0.00000 -0.00000 354 TYR A HA   
485  H  HB2  . TYR A 35  ? 0.48487 0.48487 0.48487 -0.00000 0.00000  -0.00000 354 TYR A HB2  
486  H  HB3  . TYR A 35  ? 0.48487 0.48487 0.48487 -0.00000 0.00000  -0.00000 354 TYR A HB3  
487  H  HD1  . TYR A 35  ? 0.56929 0.56929 0.56929 0.00000  0.00000  0.00000  354 TYR A HD1  
488  H  HD2  . TYR A 35  ? 0.64464 0.64464 0.64464 0.00000  0.00000  -0.00000 354 TYR A HD2  
489  H  HE1  . TYR A 35  ? 0.67456 0.67456 0.67456 0.00000  -0.00000 -0.00000 354 TYR A HE1  
490  H  HE2  . TYR A 35  ? 0.54676 0.54676 0.54676 0.00000  0.00000  0.00000  354 TYR A HE2  
491  H  HH   . TYR A 35  ? 0.78554 0.78554 0.78554 -0.00000 -0.00000 -0.00000 354 TYR A HH   
492  N  N    . GLU A 36  ? 0.63001 0.50220 0.65221 -0.00173 0.01836  -0.03454 355 GLU A N    
493  C  CA   . GLU A 36  ? 0.48104 0.41457 0.53967 0.00333  0.00897  -0.01751 355 GLU A CA   
494  C  C    . GLU A 36  ? 0.45779 0.39997 0.48644 -0.00993 -0.00193 -0.01848 355 GLU A C    
495  O  O    . GLU A 36  ? 0.79958 0.70826 0.77809 -0.03296 -0.00826 -0.03494 355 GLU A O    
496  C  CB   . GLU A 36  ? 0.52721 0.51357 0.62388 -0.00846 0.00074  0.00061  355 GLU A CB   
497  C  CG   . GLU A 36  ? 0.63501 0.62927 0.71713 -0.05201 -0.01516 0.00254  355 GLU A CG   
498  C  CD   . GLU A 36  ? 0.64947 0.72484 0.78452 -0.06297 -0.02344 0.03046  355 GLU A CD   
499  O  OE1  . GLU A 36  ? 0.94623 1.06605 1.12148 -0.02894 -0.01445 0.04548  355 GLU A OE1  
500  O  OE2  . GLU A 36  ? 0.81200 0.90626 0.94932 -0.10539 -0.03886 0.03802  355 GLU A OE2  
501  H  H    . GLU A 36  ? 0.71438 0.71438 0.71438 -0.00000 -0.00000 0.00000  355 GLU A H    
502  H  HA   . GLU A 36  ? 0.57473 0.57473 0.57473 0.00000  -0.00000 -0.00000 355 GLU A HA   
503  H  HB2  . GLU A 36  ? 0.66648 0.66648 0.66648 -0.00000 0.00000  0.00000  355 GLU A HB2  
504  H  HB3  . GLU A 36  ? 0.66648 0.66648 0.66648 -0.00000 0.00000  0.00000  355 GLU A HB3  
505  H  HG2  . GLU A 36  ? 0.79318 0.79318 0.79318 -0.00000 -0.00000 -0.00000 355 GLU A HG2  
506  H  HG3  . GLU A 36  ? 0.79318 0.79318 0.79318 -0.00000 -0.00000 -0.00000 355 GLU A HG3  
507  N  N    . CYS A 37  ? 0.61246 0.59322 0.66574 0.00538  -0.00452 -0.00092 356 CYS A N    
508  C  CA   . CYS A 37  ? 0.61846 0.61932 0.64335 -0.00260 -0.01412 0.00651  356 CYS A CA   
509  C  C    . CYS A 37  ? 0.43448 0.49741 0.48069 -0.02035 -0.03759 0.02721  356 CYS A C    
510  O  O    . CYS A 37  ? 0.70891 0.81344 0.80975 -0.00328 -0.03877 0.05037  356 CYS A O    
511  C  CB   . CYS A 37  ? 0.45685 0.46508 0.49899 0.02283  -0.00261 0.02298  356 CYS A CB   
512  S  SG   . CYS A 37  ? 0.86290 0.82412 0.88963 0.04119  0.02288  0.00660  356 CYS A SG   
513  H  H    . CYS A 37  ? 0.74918 0.74918 0.74918 -0.00000 -0.00000 0.00000  356 CYS A H    
514  H  HA   . CYS A 37  ? 0.75307 0.75307 0.75307 0.00000  -0.00000 0.00000  356 CYS A HA   
515  H  HB2  . CYS A 37  ? 0.56898 0.56898 0.56898 -0.00000 0.00000  0.00000  356 CYS A HB2  
516  H  HB3  . CYS A 37  ? 0.56898 0.56898 0.56898 -0.00000 0.00000  0.00000  356 CYS A HB3  
517  N  N    . LYS A 38  ? 0.68316 0.75214 0.68475 -0.05296 -0.05727 0.01832  357 LYS A N    
518  C  CA   . LYS A 38  ? 0.62217 0.76250 0.64610 -0.07761 -0.08576 0.03945  357 LYS A CA   
519  C  C    . LYS A 38  ? 0.75884 0.91916 0.72656 -0.09355 -0.10702 0.04067  357 LYS A C    
520  O  O    . LYS A 38  ? 0.77864 0.88420 0.67443 -0.09452 -0.09947 0.01455  357 LYS A O    
521  C  CB   . LYS A 38  ? 0.75594 0.89339 0.78599 -0.11661 -0.09848 0.02890  357 LYS A CB   
522  C  CG   . LYS A 38  ? 0.85577 1.08856 0.95587 -0.12972 -0.11549 0.06316  357 LYS A CG   
523  C  CD   . LYS A 38  ? 0.96974 1.19383 1.08276 -0.16987 -0.12052 0.05741  357 LYS A CD   
524  C  CE   . LYS A 38  ? 1.19568 1.53360 1.38919 -0.18286 -0.13315 0.09844  357 LYS A CE   
525  N  NZ   . LYS A 38  ? 0.94079 1.28489 1.17506 -0.19262 -0.11594 0.10840  357 LYS A NZ   
526  H  H    . LYS A 38  ? 0.84863 0.84863 0.84863 -0.00000 0.00000  0.00000  357 LYS A H    
527  H  HA   . LYS A 38  ? 0.81292 0.81292 0.81292 -0.00000 -0.00000 0.00000  357 LYS A HA   
528  H  HB2  . LYS A 38  ? 0.97475 0.97475 0.97475 -0.00000 -0.00000 -0.00000 357 LYS A HB2  
529  H  HB3  . LYS A 38  ? 0.97475 0.97475 0.97475 -0.00000 -0.00000 -0.00000 357 LYS A HB3  
530  H  HG2  . LYS A 38  ? 1.16070 1.16070 1.16070 -0.00000 0.00000  0.00000  357 LYS A HG2  
531  H  HG3  . LYS A 38  ? 1.16070 1.16070 1.16070 -0.00000 0.00000  0.00000  357 LYS A HG3  
532  H  HD2  . LYS A 38  ? 1.29915 1.29915 1.29915 0.00000  0.00000  -0.00000 357 LYS A HD2  
533  H  HD3  . LYS A 38  ? 1.29915 1.29915 1.29915 0.00000  0.00000  -0.00000 357 LYS A HD3  
534  H  HE2  . LYS A 38  ? 1.64800 1.64800 1.64800 0.00000  -0.00000 -0.00000 357 LYS A HE2  
535  H  HE3  . LYS A 38  ? 1.64800 1.64800 1.64800 0.00000  -0.00000 -0.00000 357 LYS A HE3  
536  H  HZ1  . LYS A 38  ? 1.36091 1.36091 1.36091 -0.00000 -0.00000 0.00000  357 LYS A HZ1  
537  H  HZ2  . LYS A 38  ? 1.36091 1.36091 1.36091 -0.00000 -0.00000 0.00000  357 LYS A HZ2  
538  H  HZ3  . LYS A 38  ? 1.36091 1.36091 1.36091 -0.00000 -0.00000 0.00000  357 LYS A HZ3  
539  N  N    . GLY A 39  ? 0.82616 0.66185 0.77918 -0.31410 -0.37193 0.29491  358 GLY A N    
540  C  CA   . GLY A 39  ? 0.78682 0.56655 0.69932 -0.31711 -0.37622 0.28086  358 GLY A CA   
541  C  C    . GLY A 39  ? 0.70987 0.55337 0.65516 -0.30351 -0.33941 0.27594  358 GLY A C    
542  O  O    . GLY A 39  ? 0.76642 0.67819 0.76385 -0.28207 -0.30690 0.27624  358 GLY A O    
543  H  H    . GLY A 39  ? 0.90749 0.90749 0.90749 -0.00000 -0.00000 -0.00000 358 GLY A H    
544  H  HA2  . GLY A 39  ? 0.81800 0.81800 0.81800 -0.00000 -0.00000 0.00000  358 GLY A HA2  
545  H  HA3  . GLY A 39  ? 0.81800 0.81800 0.81800 -0.00000 -0.00000 0.00000  358 GLY A HA3  
546  N  N    . GLY A 40  ? 1.17678 0.99562 1.08805 -0.31634 -0.34564 0.27152  359 GLY A N    
547  C  CA   . GLY A 40  ? 1.21708 1.09471 1.15476 -0.30717 -0.31580 0.26874  359 GLY A CA   
548  C  C    . GLY A 40  ? 0.80024 0.62553 0.73462 -0.28511 -0.29488 0.23596  359 GLY A C    
549  O  O    . GLY A 40  ? 1.14254 0.87797 1.03713 -0.27004 -0.30633 0.20672  359 GLY A O    
550  H  H    . GLY A 40  ? 1.30480 1.30480 1.30480 -0.00000 -0.00000 0.00000  359 GLY A H    
551  H  HA2  . GLY A 40  ? 1.38724 1.38724 1.38724 0.00000  -0.00000 0.00000  359 GLY A HA2  
552  H  HA3  . GLY A 40  ? 1.38724 1.38724 1.38724 0.00000  -0.00000 0.00000  359 GLY A HA3  
553  N  N    . CYS A 41  ? 0.83551 0.73006 0.80499 -0.26442 -0.26004 0.22931  360 CYS A N    
554  C  CA   . CYS A 41  ? 0.70629 0.58225 0.66726 -0.22429 -0.22938 0.18560  360 CYS A CA   
555  C  C    . CYS A 41  ? 0.80077 0.67692 0.73536 -0.23707 -0.22683 0.17932  360 CYS A C    
556  O  O    . CYS A 41  ? 1.23287 1.11182 1.16136 -0.21210 -0.19996 0.14874  360 CYS A O    
557  C  CB   . CYS A 41  ? 0.71445 0.66197 0.72940 -0.19214 -0.19214 0.18202  360 CYS A CB   
558  S  SG   . CYS A 41  ? 0.88545 0.81318 0.91644 -0.16728 -0.19068 0.17179  360 CYS A SG   
559  H  H    . CYS A 41  ? 0.94884 0.94884 0.94884 0.00000  0.00000  -0.00000 360 CYS A H    
560  H  HA   . CYS A 41  ? 0.78293 0.78293 0.78293 -0.00000 -0.00000 0.00000  360 CYS A HA   
561  H  HB2  . CYS A 41  ? 0.84294 0.84294 0.84294 -0.00000 -0.00000 -0.00000 360 CYS A HB2  
562  H  HB3  . CYS A 41  ? 0.84294 0.84294 0.84294 -0.00000 -0.00000 -0.00000 360 CYS A HB3  
563  N  N    . PHE A 42  ? 0.69303 0.56160 0.60572 -0.27825 -0.25659 0.20630  361 PHE A N    
564  C  CA   . PHE A 42  ? 0.83187 0.70786 0.72054 -0.29690 -0.25890 0.20810  361 PHE A CA   
565  C  C    . PHE A 42  ? 0.80813 0.60048 0.63127 -0.29762 -0.26435 0.16832  361 PHE A C    
566  O  O    . PHE A 42  ? 0.84931 0.57248 0.64497 -0.28343 -0.27116 0.14033  361 PHE A O    
567  C  CB   . PHE A 42  ? 1.04240 0.95063 0.92720 -0.33069 -0.28593 0.24843  361 PHE A CB   
568  C  CG   . PHE A 42  ? 0.98282 0.82941 0.82315 -0.35077 -0.31753 0.25368  361 PHE A CG   
569  C  CD1  . PHE A 42  ? 1.14048 0.90286 0.91296 -0.37092 -0.33767 0.23732  361 PHE A CD1  
570  C  CD2  . PHE A 42  ? 0.97097 0.84347 0.83316 -0.34973 -0.32712 0.27377  361 PHE A CD2  
571  C  CE1  . PHE A 42  ? 1.23326 0.93146 0.96094 -0.38753 -0.36740 0.24228  361 PHE A CE1  
572  C  CE2  . PHE A 42  ? 0.90087 0.71199 0.71689 -0.37041 -0.35939 0.27976  361 PHE A CE2  
573  C  CZ   . PHE A 42  ? 1.17550 0.89676 0.92433 -0.38821 -0.37974 0.26478  361 PHE A CZ   
574  H  H    . PHE A 42  ? 0.74476 0.74476 0.74476 0.00000  -0.00000 0.00000  361 PHE A H    
575  H  HA   . PHE A 42  ? 0.90472 0.90472 0.90472 -0.00000 -0.00000 0.00000  361 PHE A HA   
576  H  HB2  . PHE A 42  ? 1.16871 1.16871 1.16871 -0.00000 0.00000  0.00000  361 PHE A HB2  
577  H  HB3  . PHE A 42  ? 1.16871 1.16871 1.16871 -0.00000 0.00000  0.00000  361 PHE A HB3  
578  H  HD1  . PHE A 42  ? 1.18314 1.18314 1.18314 0.00000  -0.00000 -0.00000 361 PHE A HD1  
579  H  HD2  . PHE A 42  ? 1.05965 1.05965 1.05965 -0.00000 0.00000  -0.00000 361 PHE A HD2  
580  H  HE1  . PHE A 42  ? 1.25088 1.25088 1.25088 -0.00000 -0.00000 0.00000  361 PHE A HE1  
581  H  HE2  . PHE A 42  ? 0.93252 0.93252 0.93252 -0.00000 -0.00000 0.00000  361 PHE A HE2  
582  H  HZ   . PHE A 42  ? 1.19925 1.19925 1.19925 -0.00000 0.00000  -0.00000 361 PHE A HZ   
583  N  N    . PHE A 43  ? 0.74950 0.55042 0.54819 -0.31414 -0.26314 0.16657  362 PHE A N    
584  C  CA   . PHE A 43  ? 0.82370 0.55640 0.55721 -0.31923 -0.26577 0.12663  362 PHE A CA   
585  C  C    . PHE A 43  ? 0.90896 0.58692 0.59001 -0.36646 -0.30541 0.14045  362 PHE A C    
586  O  O    . PHE A 43  ? 0.89308 0.62078 0.59009 -0.38715 -0.31568 0.18488  362 PHE A O    
587  C  CB   . PHE A 43  ? 0.79908 0.57089 0.52699 -0.31811 -0.24382 0.11759  362 PHE A CB   
588  C  CG   . PHE A 43  ? 0.72743 0.54708 0.49467 -0.27882 -0.20587 0.10269  362 PHE A CG   
589  C  CD1  . PHE A 43  ? 0.73655 0.53122 0.49059 -0.24686 -0.18350 0.05626  362 PHE A CD1  
590  C  CD2  . PHE A 43  ? 0.65726 0.54712 0.47265 -0.27385 -0.19359 0.13393  362 PHE A CD2  
591  C  CE1  . PHE A 43  ? 0.67452 0.51623 0.46065 -0.21653 -0.14958 0.04397  362 PHE A CE1  
592  C  CE2  . PHE A 43  ? 0.60098 0.52612 0.44528 -0.24180 -0.16050 0.12004  362 PHE A CE2  
593  C  CZ   . PHE A 43  ? 0.60857 0.51098 0.43706 -0.21620 -0.13857 0.07647  362 PHE A CZ   
594  H  H    . PHE A 43  ? 0.73617 0.73617 0.73617 0.00000  -0.00000 0.00000  362 PHE A H    
595  H  HA   . PHE A 43  ? 0.77185 0.77185 0.77185 -0.00000 -0.00000 -0.00000 362 PHE A HA   
596  H  HB2  . PHE A 43  ? 0.75571 0.75571 0.75571 -0.00000 -0.00000 0.00000  362 PHE A HB2  
597  H  HB3  . PHE A 43  ? 0.75571 0.75571 0.75571 -0.00000 -0.00000 0.00000  362 PHE A HB3  
598  H  HD1  . PHE A 43  ? 0.70027 0.70027 0.70027 -0.00000 -0.00000 0.00000  362 PHE A HD1  
599  H  HD2  . PHE A 43  ? 0.66773 0.66773 0.66773 -0.00000 -0.00000 0.00000  362 PHE A HD2  
600  H  HE1  . PHE A 43  ? 0.65765 0.65765 0.65765 0.00000  0.00000  -0.00000 362 PHE A HE1  
601  H  HE2  . PHE A 43  ? 0.62785 0.62785 0.62785 -0.00000 0.00000  -0.00000 362 PHE A HE2  
602  H  HZ   . PHE A 43  ? 0.62117 0.62117 0.62117 -0.00000 0.00000  0.00000  362 PHE A HZ   
603  N  N    . PRO A 44  ? 0.99960 0.58689 0.61926 -0.36706 -0.31715 0.10238  363 PRO A N    
604  C  CA   . PRO A 44  ? 1.01762 0.56954 0.61857 -0.32723 -0.29302 0.04539  363 PRO A CA   
605  C  C    . PRO A 44  ? 0.99893 0.53378 0.63198 -0.28471 -0.28555 0.03176  363 PRO A C    
606  O  O    . PRO A 44  ? 1.02988 0.52457 0.66218 -0.29512 -0.31300 0.05176  363 PRO A O    
607  C  CB   . PRO A 44  ? 1.13219 0.59555 0.65631 -0.34560 -0.31309 0.01324  363 PRO A CB   
608  C  CG   . PRO A 44  ? 1.17736 0.61225 0.69093 -0.37178 -0.34369 0.05449  363 PRO A CG   
609  C  CD   . PRO A 44  ? 1.09126 0.61838 0.65998 -0.39044 -0.34372 0.11236  363 PRO A CD   
610  H  HA   . PRO A 44  ? 0.87922 0.87922 0.87922 -0.00000 0.00000  0.00000  363 PRO A HA   
611  H  HB2  . PRO A 44  ? 0.95055 0.95055 0.95055 -0.00000 -0.00000 0.00000  363 PRO A HB2  
612  H  HB3  . PRO A 44  ? 0.95055 0.95055 0.95055 -0.00000 -0.00000 0.00000  363 PRO A HB3  
613  H  HG2  . PRO A 44  ? 0.98914 0.98914 0.98914 -0.00000 0.00000  0.00000  363 PRO A HG2  
614  H  HG3  . PRO A 44  ? 0.98914 0.98914 0.98914 -0.00000 0.00000  0.00000  363 PRO A HG3  
615  H  HD2  . PRO A 44  ? 0.94477 0.94477 0.94477 -0.00000 -0.00000 0.00000  363 PRO A HD2  
616  H  HD3  . PRO A 44  ? 0.94477 0.94477 0.94477 -0.00000 -0.00000 0.00000  363 PRO A HD3  
617  N  N    . LEU A 45  ? 1.23276 0.80113 0.89086 -0.24117 -0.24991 -0.00038 364 LEU A N    
618  C  CA   . LEU A 45  ? 0.96772 0.53112 0.66087 -0.19921 -0.24125 -0.01205 364 LEU A CA   
619  C  C    . LEU A 45  ? 1.13328 0.59926 0.78063 -0.17762 -0.25915 -0.05546 364 LEU A C    
620  O  O    . LEU A 45  ? 1.42563 0.82917 1.01320 -0.19680 -0.27609 -0.07758 364 LEU A O    
621  C  CB   . LEU A 45  ? 0.89195 0.53040 0.62600 -0.16349 -0.19765 -0.03026 364 LEU A CB   
622  C  CG   . LEU A 45  ? 0.84867 0.57122 0.64058 -0.17037 -0.18265 0.01337  364 LEU A CG   
623  C  CD1  . LEU A 45  ? 1.14097 0.92567 0.95930 -0.14189 -0.14171 -0.00679 364 LEU A CD1  
624  C  CD2  . LEU A 45  ? 1.05830 0.78373 0.88820 -0.16835 -0.19807 0.04509  364 LEU A CD2  
625  H  H    . LEU A 45  ? 1.17051 1.17051 1.17051 0.00000  -0.00000 -0.00000 364 LEU A H    
626  H  HA   . LEU A 45  ? 0.86450 0.86450 0.86450 -0.00000 -0.00000 0.00000  364 LEU A HA   
627  H  HB2  . LEU A 45  ? 0.81995 0.81995 0.81995 -0.00000 -0.00000 0.00000  364 LEU A HB2  
628  H  HB3  . LEU A 45  ? 0.81995 0.81995 0.81995 -0.00000 -0.00000 0.00000  364 LEU A HB3  
629  H  HG   . LEU A 45  ? 0.82480 0.82480 0.82480 -0.00000 0.00000  -0.00000 364 LEU A HG   
630  H  HD11 . LEU A 45  ? 1.21099 1.21099 1.21099 -0.00000 0.00000  0.00000  364 LEU A HD11 
631  H  HD12 . LEU A 45  ? 1.21099 1.21099 1.21099 -0.00000 0.00000  0.00000  364 LEU A HD12 
632  H  HD13 . LEU A 45  ? 1.21099 1.21099 1.21099 -0.00000 0.00000  0.00000  364 LEU A HD13 
633  H  HD21 . LEU A 45  ? 1.09271 1.09271 1.09271 -0.00000 0.00000  -0.00000 364 LEU A HD21 
634  H  HD22 . LEU A 45  ? 1.09271 1.09271 1.09271 -0.00000 0.00000  -0.00000 364 LEU A HD22 
635  H  HD23 . LEU A 45  ? 1.09271 1.09271 1.09271 -0.00000 0.00000  -0.00000 364 LEU A HD23 
636  N  N    . ALA A 46  ? 1.47807 0.93003 1.15200 -0.13844 -0.25724 -0.06698 365 ALA A N    
637  C  CA   . ALA A 46  ? 1.64781 1.00282 1.28133 -0.10905 -0.27667 -0.11033 365 ALA A CA   
638  C  C    . ALA A 46  ? 1.63167 1.01861 1.29330 -0.04897 -0.24551 -0.15516 365 ALA A C    
639  O  O    . ALA A 46  ? 1.40842 0.88936 1.11938 -0.03671 -0.21108 -0.14659 365 ALA A O    
640  C  CB   . ALA A 46  ? 1.45068 0.73322 1.07729 -0.12197 -0.31921 -0.07935 365 ALA A CB   
641  H  H    . ALA A 46  ? 1.42466 1.42466 1.42466 -0.00000 -0.00000 0.00000  365 ALA A H    
642  H  HA   . ALA A 46  ? 1.57340 1.57340 1.57340 0.00000  -0.00000 0.00000  365 ALA A HA   
643  H  HB1  . ALA A 46  ? 1.30509 1.30509 1.30509 0.00000  -0.00000 -0.00000 365 ALA A HB1  
644  H  HB2  . ALA A 46  ? 1.30509 1.30509 1.30509 0.00000  -0.00000 -0.00000 365 ALA A HB2  
645  H  HB3  . ALA A 46  ? 1.30509 1.30509 1.30509 0.00000  -0.00000 -0.00000 365 ALA A HB3  
646  N  N    . ASP A 47  ? 2.04339 1.35277 1.67372 -0.01257 -0.25953 -0.20105 366 ASP A N    
647  C  CA   . ASP A 47  ? 2.30215 1.65109 1.95806 0.04770  -0.22959 -0.25002 366 ASP A CA   
648  C  C    . ASP A 47  ? 2.11739 1.50707 1.83463 0.07376  -0.22567 -0.22362 366 ASP A C    
649  O  O    . ASP A 47  ? 1.72552 1.20963 1.48523 0.09610  -0.18741 -0.23321 366 ASP A O    
650  C  CB   . ASP A 47  ? 2.18087 1.43767 1.78851 0.08511  -0.24706 -0.30975 366 ASP A CB   
651  C  CG   . ASP A 47  ? 2.38201 1.70982 2.01450 0.14013  -0.20707 -0.36411 366 ASP A CG   
652  O  OD1  . ASP A 47  ? 2.24508 1.67284 1.90847 0.14225  -0.17079 -0.36738 366 ASP A OD1  
653  O  OD2  . ASP A 47  ? 2.30330 1.60020 1.92989 0.17542  -0.20945 -0.39484 366 ASP A OD2  
654  H  H    . ASP A 47  ? 2.02857 2.02857 2.02857 0.00000  -0.00000 0.00000  366 ASP A H    
655  H  HA   . ASP A 47  ? 2.36514 2.36514 2.36514 -0.00000 -0.00000 -0.00000 366 ASP A HA   
656  H  HB2  . ASP A 47  ? 2.16343 2.16343 2.16343 0.00000  0.00000  -0.00000 366 ASP A HB2  
657  H  HB3  . ASP A 47  ? 2.16343 2.16343 2.16343 0.00000  0.00000  -0.00000 366 ASP A HB3  
658  N  N    . ASP A 48  ? 1.95839 1.28161 1.67664 0.06550  -0.26458 -0.18940 367 ASP A N    
659  C  CA   . ASP A 48  ? 1.91804 1.27560 1.68955 0.09201  -0.26303 -0.16898 367 ASP A CA   
660  C  C    . ASP A 48  ? 1.83224 1.28055 1.65162 0.05723  -0.24575 -0.11478 367 ASP A C    
661  O  O    . ASP A 48  ? 1.65217 1.13583 1.51498 0.07046  -0.24383 -0.09272 367 ASP A O    
662  C  CB   . ASP A 48  ? 2.29285 1.53911 2.04340 0.09912  -0.31463 -0.15545 367 ASP A CB   
663  C  CG   . ASP A 48  ? 2.31867 1.52292 2.04942 0.03581  -0.35105 -0.09647 367 ASP A CG   
664  O  OD1  . ASP A 48  ? 2.08581 1.29651 1.79008 -0.00839 -0.34957 -0.08468 367 ASP A OD1  
665  O  OD2  . ASP A 48  ? 2.37669 1.54698 2.11795 0.02790  -0.38223 -0.06055 367 ASP A OD2  
666  H  H    . ASP A 48  ? 1.96727 1.96727 1.96727 -0.00000 -0.00000 0.00000  367 ASP A H    
667  H  HA   . ASP A 48  ? 1.95389 1.95389 1.95389 0.00000  -0.00000 0.00000  367 ASP A HA   
668  H  HB2  . ASP A 48  ? 2.35076 2.35076 2.35076 0.00000  -0.00000 -0.00000 367 ASP A HB2  
669  H  HB3  . ASP A 48  ? 2.35076 2.35076 2.35076 0.00000  -0.00000 -0.00000 367 ASP A HB3  
670  N  N    . VAL A 49  ? 1.21791 0.70397 1.02972 0.01422  -0.23471 -0.09366 368 VAL A N    
671  C  CA   . VAL A 49  ? 1.15272 0.73170 1.01183 -0.01047 -0.21343 -0.05078 368 VAL A CA   
672  C  C    . VAL A 49  ? 0.96849 0.63535 0.87016 0.02358  -0.16921 -0.07074 368 VAL A C    
673  O  O    . VAL A 49  ? 0.94496 0.67323 0.89258 0.02290  -0.15565 -0.04315 368 VAL A O    
674  C  CB   . VAL A 49  ? 1.22250 0.82191 1.06326 -0.05546 -0.21163 -0.03040 368 VAL A CB   
675  C  CG1  . VAL A 49  ? 1.09685 0.79892 0.98548 -0.06487 -0.17908 -0.00447 368 VAL A CG1  
676  C  CG2  . VAL A 49  ? 1.27235 0.81237 1.08600 -0.09961 -0.25541 0.00723  368 VAL A CG2  
677  H  H    . VAL A 49  ? 1.18125 1.18125 1.18125 0.00000  -0.00000 0.00000  368 VAL A H    
678  H  HA   . VAL A 49  ? 1.15911 1.15911 1.15911 0.00000  -0.00000 -0.00000 368 VAL A HA   
679  H  HB   . VAL A 49  ? 1.24369 1.24369 1.24369 -0.00000 -0.00000 0.00000  368 VAL A HB   
680  H  HG11 . VAL A 49  ? 1.15311 1.15311 1.15311 0.00000  -0.00000 -0.00000 368 VAL A HG11 
681  H  HG12 . VAL A 49  ? 1.15311 1.15311 1.15311 0.00000  -0.00000 -0.00000 368 VAL A HG12 
682  H  HG13 . VAL A 49  ? 1.15311 1.15311 1.15311 0.00000  -0.00000 -0.00000 368 VAL A HG13 
683  H  HG21 . VAL A 49  ? 1.26890 1.26890 1.26890 0.00000  -0.00000 -0.00000 368 VAL A HG21 
684  H  HG22 . VAL A 49  ? 1.26890 1.26890 1.26890 0.00000  -0.00000 -0.00000 368 VAL A HG22 
685  H  HG23 . VAL A 49  ? 1.26890 1.26890 1.26890 0.00000  -0.00000 -0.00000 368 VAL A HG23 
686  N  N    . THR A 50  ? 1.26597 0.94258 1.14987 0.05083  -0.14636 -0.11994 369 THR A N    
687  C  CA   . THR A 50  ? 1.02187 0.77979 0.93563 0.08094  -0.10559 -0.14561 369 THR A CA   
688  C  C    . THR A 50  ? 0.88072 0.72303 0.82588 0.05604  -0.07653 -0.11486 369 THR A C    
689  O  O    . THR A 50  ? 0.93017 0.83101 0.91553 0.06958  -0.05642 -0.10615 369 THR A O    
690  C  CB   . THR A 50  ? 1.42119 1.18144 1.36656 0.12228  -0.10952 -0.15413 369 THR A CB   
691  O  OG1  . THR A 50  ? 1.30747 1.08970 1.29125 0.10593  -0.11800 -0.10512 369 THR A OG1  
692  C  CG2  . THR A 50  ? 1.52340 1.18267 1.43651 0.14890  -0.14671 -0.17970 369 THR A CG2  
693  H  H    . THR A 50  ? 1.34398 1.34398 1.34398 -0.00000 -0.00000 0.00000  369 THR A H    
694  H  HA   . THR A 50  ? 1.09553 1.09553 1.09553 0.00000  0.00000  0.00000  369 THR A HA   
695  H  HB   . THR A 50  ? 1.58829 1.58829 1.58829 0.00000  -0.00000 -0.00000 369 THR A HB   
696  H  HG1  . THR A 50  ? 1.47598 1.47598 1.47598 0.00000  -0.00000 -0.00000 369 THR A HG1  
697  H  HG21 . THR A 50  ? 1.65765 1.65765 1.65765 0.00000  -0.00000 -0.00000 369 THR A HG21 
698  H  HG22 . THR A 50  ? 1.65765 1.65765 1.65765 0.00000  -0.00000 -0.00000 369 THR A HG22 
699  H  HG23 . THR A 50  ? 1.65765 1.65765 1.65765 0.00000  -0.00000 -0.00000 369 THR A HG23 
700  N  N    . PRO A 51  ? 0.66947 0.51736 0.59533 0.02057  -0.07496 -0.09899 370 PRO A N    
701  C  CA   . PRO A 51  ? 0.68554 0.59937 0.64166 -0.00048 -0.05498 -0.06565 370 PRO A CA   
702  C  C    . PRO A 51  ? 0.47440 0.45384 0.43924 0.01334  -0.01561 -0.08888 370 PRO A C    
703  O  O    . PRO A 51  ? 0.71111 0.69526 0.65151 0.02933  -0.00175 -0.13049 370 PRO A O    
704  C  CB   . PRO A 51  ? 0.54185 0.43560 0.46958 -0.03781 -0.06942 -0.04659 370 PRO A CB   
705  C  CG   . PRO A 51  ? 0.61530 0.46142 0.49323 -0.03436 -0.07622 -0.08570 370 PRO A CG   
706  C  CD   . PRO A 51  ? 0.66647 0.46302 0.54143 -0.00163 -0.09132 -0.11106 370 PRO A CD   
707  H  HA   . PRO A 51  ? 0.77124 0.77124 0.77124 -0.00000 0.00000  0.00000  370 PRO A HA   
708  H  HB2  . PRO A 51  ? 0.57574 0.57574 0.57574 0.00000  -0.00000 -0.00000 370 PRO A HB2  
709  H  HB3  . PRO A 51  ? 0.57574 0.57574 0.57574 0.00000  -0.00000 -0.00000 370 PRO A HB3  
710  H  HG2  . PRO A 51  ? 0.62490 0.62490 0.62490 -0.00000 -0.00000 0.00000  370 PRO A HG2  
711  H  HG3  . PRO A 51  ? 0.62490 0.62490 0.62490 -0.00000 -0.00000 0.00000  370 PRO A HG3  
712  H  HD2  . PRO A 51  ? 0.66708 0.66708 0.66708 0.00000  0.00000  -0.00000 370 PRO A HD2  
713  H  HD3  . PRO A 51  ? 0.66708 0.66708 0.66708 0.00000  0.00000  -0.00000 370 PRO A HD3  
714  N  N    . THR A 52  ? 0.73124 0.76387 0.72964 0.00551  0.00217  -0.06235 371 THR A N    
715  C  CA   . THR A 52  ? 0.40850 0.49616 0.40625 0.00558  0.03585  -0.07565 371 THR A CA   
716  C  C    . THR A 52  ? 0.37973 0.46227 0.34732 -0.02433 0.03555  -0.06631 371 THR A C    
717  O  O    . THR A 52  ? 0.55001 0.60068 0.51043 -0.04447 0.01164  -0.04161 371 THR A O    
718  C  CB   . THR A 52  ? 0.37795 0.51468 0.41838 0.00832  0.05297  -0.05193 371 THR A CB   
719  O  OG1  . THR A 52  ? 0.51058 0.64365 0.56978 -0.01180 0.03920  -0.01146 371 THR A OG1  
720  C  CG2  . THR A 52  ? 0.38592 0.53064 0.45544 0.03448  0.05076  -0.05755 371 THR A CG2  
721  H  H    . THR A 52  ? 0.89052 0.89052 0.89052 -0.00000 -0.00000 0.00000  371 THR A H    
722  H  HA   . THR A 52  ? 0.52498 0.52498 0.52498 0.00000  -0.00000 0.00000  371 THR A HA   
723  H  HB   . THR A 52  ? 0.52502 0.52502 0.52502 -0.00000 -0.00000 0.00000  371 THR A HB   
724  H  HG1  . THR A 52  ? 0.69022 0.69022 0.69022 -0.00000 0.00000  0.00000  371 THR A HG1  
725  H  HG21 . THR A 52  ? 0.54942 0.54942 0.54942 0.00000  0.00000  -0.00000 371 THR A HG21 
726  H  HG22 . THR A 52  ? 0.54942 0.54942 0.54942 0.00000  0.00000  -0.00000 371 THR A HG22 
727  H  HG23 . THR A 52  ? 0.54942 0.54942 0.54942 0.00000  0.00000  -0.00000 371 THR A HG23 
728  N  N    . LYS A 53  ? 0.46466 0.55763 0.54947 -0.02805 -0.03627 -0.02336 372 LYS A N    
729  C  CA   . LYS A 53  ? 0.35777 0.48191 0.43580 -0.04145 -0.03484 -0.01784 372 LYS A CA   
730  C  C    . LYS A 53  ? 0.30000 0.37110 0.35310 -0.04980 -0.04561 -0.01226 372 LYS A C    
731  O  O    . LYS A 53  ? 0.51379 0.59472 0.55813 -0.05407 -0.04022 -0.01747 372 LYS A O    
732  C  CB   . LYS A 53  ? 0.52665 0.71369 0.62511 -0.05478 -0.04320 0.01052  372 LYS A CB   
733  C  CG   . LYS A 53  ? 0.53997 0.80101 0.66344 -0.04242 -0.02538 0.00518  372 LYS A CG   
734  C  CD   . LYS A 53  ? 0.68983 1.02596 0.83345 -0.05965 -0.03059 0.03825  372 LYS A CD   
735  C  CE   . LYS A 53  ? 0.87306 1.29007 1.04418 -0.04237 -0.01029 0.03643  372 LYS A CE   
736  N  NZ   . LYS A 53  ? 0.80640 1.23171 1.01048 -0.03520 -0.01876 0.05211  372 LYS A NZ   
737  H  H    . LYS A 53  ? 0.62932 0.62932 0.62932 -0.00000 -0.00000 -0.00000 372 LYS A H    
738  H  HA   . LYS A 53  ? 0.51080 0.51080 0.51080 0.00000  -0.00000 0.00000  372 LYS A HA   
739  H  HB2  . LYS A 53  ? 0.74679 0.74679 0.74679 0.00000  -0.00000 0.00000  372 LYS A HB2  
740  H  HB3  . LYS A 53  ? 0.74679 0.74679 0.74679 0.00000  -0.00000 0.00000  372 LYS A HB3  
741  H  HG2  . LYS A 53  ? 0.80238 0.80238 0.80238 0.00000  -0.00000 0.00000  372 LYS A HG2  
742  H  HG3  . LYS A 53  ? 0.80238 0.80238 0.80238 0.00000  -0.00000 0.00000  372 LYS A HG3  
743  H  HD2  . LYS A 53  ? 1.02031 1.02031 1.02031 -0.00000 -0.00000 -0.00000 372 LYS A HD2  
744  H  HD3  . LYS A 53  ? 1.02031 1.02031 1.02031 -0.00000 -0.00000 -0.00000 372 LYS A HD3  
745  H  HE2  . LYS A 53  ? 1.28354 1.28354 1.28354 -0.00000 0.00000  0.00000  372 LYS A HE2  
746  H  HE3  . LYS A 53  ? 1.28354 1.28354 1.28354 -0.00000 0.00000  0.00000  372 LYS A HE3  
747  H  HZ1  . LYS A 53  ? 1.22005 1.22005 1.22005 0.00000  0.00000  -0.00000 372 LYS A HZ1  
748  H  HZ2  . LYS A 53  ? 1.22005 1.22005 1.22005 0.00000  0.00000  -0.00000 372 LYS A HZ2  
749  H  HZ3  . LYS A 53  ? 1.22005 1.22005 1.22005 0.00000  0.00000  -0.00000 372 LYS A HZ3  
750  N  N    . HIS A 54  ? 0.38506 0.39987 0.42426 -0.04947 -0.06051 -0.00273 373 HIS A N    
751  C  CA   . HIS A 54  ? 0.39208 0.35469 0.40255 -0.05017 -0.06788 0.00026  373 HIS A CA   
752  C  C    . HIS A 54  ? 0.32547 0.26835 0.32637 -0.03944 -0.04912 -0.02124 373 HIS A C    
753  O  O    . HIS A 54  ? 0.50440 0.44287 0.49544 -0.03928 -0.04623 -0.02081 373 HIS A O    
754  C  CB   . HIS A 54  ? 0.43794 0.34058 0.42609 -0.05033 -0.08897 0.01294  373 HIS A CB   
755  C  CG   . HIS A 54  ? 0.38259 0.23112 0.33523 -0.04624 -0.09713 0.01599  373 HIS A CG   
756  N  ND1  . HIS A 54  ? 0.51127 0.32378 0.44232 -0.03055 -0.08236 0.00158  373 HIS A ND1  
757  C  CD2  . HIS A 54  ? 0.40583 0.23243 0.34118 -0.05346 -0.11730 0.03221  373 HIS A CD2  
758  C  CE1  . HIS A 54  ? 0.60832 0.38310 0.51036 -0.02390 -0.09037 0.00716  373 HIS A CE1  
759  N  NE2  . HIS A 54  ? 0.45970 0.23586 0.36160 -0.03694 -0.11312 0.02431  373 HIS A NE2  
760  H  H    . HIS A 54  ? 0.48429 0.48429 0.48429 0.00000  -0.00000 0.00000  373 HIS A H    
761  H  HA   . HIS A 54  ? 0.46034 0.46034 0.46034 -0.00000 -0.00000 -0.00000 373 HIS A HA   
762  H  HB2  . HIS A 54  ? 0.48246 0.48246 0.48246 -0.00000 0.00000  0.00000  373 HIS A HB2  
763  H  HB3  . HIS A 54  ? 0.48246 0.48246 0.48246 -0.00000 0.00000  0.00000  373 HIS A HB3  
764  H  HD2  . HIS A 54  ? 0.38870 0.38870 0.38870 -0.00000 -0.00000 0.00000  373 HIS A HD2  
765  H  HE1  . HIS A 54  ? 0.60133 0.60133 0.60133 0.00000  -0.00000 0.00000  373 HIS A HE1  
766  H  HE2  . HIS A 54  ? 0.42348 0.42348 0.42348 -0.00000 -0.00000 0.00000  373 HIS A HE2  
767  N  N    . ALA A 55  ? 0.38509 0.31682 0.39111 -0.03107 -0.03788 -0.03723 374 ALA A N    
768  C  CA   . ALA A 55  ? 0.32877 0.24498 0.32961 -0.02698 -0.02268 -0.05338 374 ALA A CA   
769  C  C    . ALA A 55  ? 0.38071 0.34342 0.39425 -0.03393 -0.01340 -0.06452 374 ALA A C    
770  O  O    . ALA A 55  ? 0.31426 0.27606 0.32534 -0.03702 -0.00717 -0.06801 374 ALA A O    
771  C  CB   . ALA A 55  ? 0.52464 0.41336 0.52750 -0.01931 -0.01684 -0.06539 374 ALA A CB   
772  H  H    . ALA A 55  ? 0.43782 0.43782 0.43782 -0.00000 -0.00000 0.00000  374 ALA A H    
773  H  HA   . ALA A 55  ? 0.35925 0.35925 0.35925 0.00000  -0.00000 -0.00000 374 ALA A HA   
774  H  HB1  . ALA A 55  ? 0.58682 0.58682 0.58682 0.00000  0.00000  -0.00000 374 ALA A HB1  
775  H  HB2  . ALA A 55  ? 0.58682 0.58682 0.58682 0.00000  0.00000  -0.00000 374 ALA A HB2  
776  H  HB3  . ALA A 55  ? 0.58682 0.58682 0.58682 0.00000  0.00000  -0.00000 374 ALA A HB3  
777  N  N    . ILE A 56  ? 0.36105 0.36894 0.38766 -0.03625 -0.01259 -0.06885 375 ILE A N    
778  C  CA   . ILE A 56  ? 0.30163 0.35443 0.33165 -0.04352 -0.00666 -0.07874 375 ILE A CA   
779  C  C    . ILE A 56  ? 0.29216 0.36193 0.31865 -0.05273 -0.01466 -0.06019 375 ILE A C    
780  O  O    . ILE A 56  ? 0.32195 0.40242 0.34765 -0.05794 -0.01225 -0.06418 375 ILE A O    
781  C  CB   . ILE A 56  ? 0.34019 0.44045 0.37859 -0.03981 -0.00171 -0.08611 375 ILE A CB   
782  C  CG1  . ILE A 56  ? 0.45430 0.53332 0.49424 -0.02518 0.00727  -0.11021 375 ILE A CG1  
783  C  CG2  . ILE A 56  ? 0.30374 0.45423 0.33690 -0.04861 0.00156  -0.09148 375 ILE A CG2  
784  C  CD1  . ILE A 56  ? 0.33033 0.45379 0.38063 -0.01197 0.01443  -0.11530 375 ILE A CD1  
785  H  H    . ILE A 56  ? 0.44767 0.44767 0.44767 0.00000  -0.00000 -0.00000 375 ILE A H    
786  H  HA   . ILE A 56  ? 0.39201 0.39201 0.39201 -0.00000 -0.00000 -0.00000 375 ILE A HA   
787  H  HB   . ILE A 56  ? 0.46431 0.46431 0.46431 -0.00000 -0.00000 -0.00000 375 ILE A HB   
788  H  HG12 . ILE A 56  ? 0.59336 0.59336 0.59336 -0.00000 -0.00000 0.00000  375 ILE A HG12 
789  H  HG13 . ILE A 56  ? 0.59336 0.59336 0.59336 -0.00000 -0.00000 0.00000  375 ILE A HG13 
790  H  HG21 . ILE A 56  ? 0.43487 0.43487 0.43487 0.00000  -0.00000 0.00000  375 ILE A HG21 
791  H  HG22 . ILE A 56  ? 0.43487 0.43487 0.43487 0.00000  -0.00000 0.00000  375 ILE A HG22 
792  H  HG23 . ILE A 56  ? 0.43487 0.43487 0.43487 0.00000  -0.00000 0.00000  375 ILE A HG23 
793  H  HD11 . ILE A 56  ? 0.46282 0.46282 0.46282 -0.00000 0.00000  0.00000  375 ILE A HD11 
794  H  HD12 . ILE A 56  ? 0.46282 0.46282 0.46282 -0.00000 0.00000  0.00000  375 ILE A HD12 
795  H  HD13 . ILE A 56  ? 0.46282 0.46282 0.46282 -0.00000 0.00000  0.00000  375 ILE A HD13 
796  N  N    . VAL A 57  ? 0.44568 0.51587 0.47105 -0.05547 -0.02715 -0.03769 376 VAL A N    
797  C  CA   . VAL A 57  ? 0.36811 0.44425 0.38771 -0.06201 -0.03805 -0.01860 376 VAL A CA   
798  C  C    . VAL A 57  ? 0.29889 0.33445 0.30802 -0.05290 -0.03631 -0.01957 376 VAL A C    
799  O  O    . VAL A 57  ? 0.33132 0.38445 0.34269 -0.05380 -0.03664 -0.01470 376 VAL A O    
800  C  CB   . VAL A 57  ? 0.30033 0.36904 0.31738 -0.06888 -0.05668 0.00699  376 VAL A CB   
801  C  CG1  . VAL A 57  ? 0.44552 0.49257 0.44938 -0.07069 -0.07164 0.02570  376 VAL A CG1  
802  C  CG2  . VAL A 57  ? 0.41161 0.54270 0.44515 -0.07991 -0.05605 0.01545  376 VAL A CG2  
803  H  H    . VAL A 57  ? 0.57365 0.57365 0.57365 0.00000  0.00000  -0.00000 376 VAL A H    
804  H  HA   . VAL A 57  ? 0.48064 0.48064 0.48064 -0.00000 -0.00000 -0.00000 376 VAL A HA   
805  H  HB   . VAL A 57  ? 0.39163 0.39163 0.39163 -0.00000 -0.00000 0.00000  376 VAL A HB   
806  H  HG11 . VAL A 57  ? 0.55560 0.55560 0.55560 -0.00000 0.00000  0.00000  376 VAL A HG11 
807  H  HG12 . VAL A 57  ? 0.55560 0.55560 0.55560 -0.00000 0.00000  0.00000  376 VAL A HG12 
808  H  HG13 . VAL A 57  ? 0.55560 0.55560 0.55560 -0.00000 0.00000  0.00000  376 VAL A HG13 
809  H  HG21 . VAL A 57  ? 0.56040 0.56040 0.56040 0.00000  -0.00000 -0.00000 376 VAL A HG21 
810  H  HG22 . VAL A 57  ? 0.56040 0.56040 0.56040 0.00000  -0.00000 -0.00000 376 VAL A HG22 
811  H  HG23 . VAL A 57  ? 0.56040 0.56040 0.56040 0.00000  -0.00000 -0.00000 376 VAL A HG23 
812  N  N    . GLN A 58  ? 0.64392 0.62966 0.64181 -0.04257 -0.03387 -0.02385 377 GLN A N    
813  C  CA   . GLN A 58  ? 0.46110 0.41353 0.44641 -0.03036 -0.02846 -0.02274 377 GLN A CA   
814  C  C    . GLN A 58  ? 0.50473 0.48608 0.50655 -0.03302 -0.01340 -0.03366 377 GLN A C    
815  O  O    . GLN A 58  ? 0.58310 0.57412 0.58830 -0.02711 -0.00997 -0.02630 377 GLN A O    
816  C  CB   . GLN A 58  ? 0.62497 0.52145 0.58936 -0.01976 -0.02787 -0.02479 377 GLN A CB   
817  C  CG   . GLN A 58  ? 0.61998 0.48486 0.56509 -0.00313 -0.01927 -0.02208 377 GLN A CG   
818  C  CD   . GLN A 58  ? 0.90135 0.70541 0.81230 0.00846  -0.02325 -0.02114 377 GLN A CD   
819  O  OE1  . GLN A 58  ? 1.13937 0.92310 1.04334 0.00210  -0.03694 -0.02010 377 GLN A OE1  
820  N  NE2  . GLN A 58  ? 1.26206 1.04123 1.15117 0.02620  -0.01120 -0.02008 377 GLN A NE2  
821  H  H    . GLN A 58  ? 0.76677 0.76677 0.76677 -0.00000 -0.00000 0.00000  377 GLN A H    
822  H  HA   . GLN A 58  ? 0.52903 0.52903 0.52903 0.00000  -0.00000 0.00000  377 GLN A HA   
823  H  HB2  . GLN A 58  ? 0.69493 0.69493 0.69493 -0.00000 0.00000  0.00000  377 GLN A HB2  
824  H  HB3  . GLN A 58  ? 0.69493 0.69493 0.69493 -0.00000 0.00000  0.00000  377 GLN A HB3  
825  H  HG2  . GLN A 58  ? 0.66859 0.66859 0.66859 -0.00000 -0.00000 0.00000  377 GLN A HG2  
826  H  HG3  . GLN A 58  ? 0.66859 0.66859 0.66859 -0.00000 -0.00000 0.00000  377 GLN A HG3  
827  H  HE21 . GLN A 58  ? 1.38240 1.38240 1.38240 0.00000  -0.00000 0.00000  377 GLN A HE21 
828  H  HE22 . GLN A 58  ? 1.38240 1.38240 1.38240 0.00000  -0.00000 0.00000  377 GLN A HE22 
829  N  N    . THR A 59  ? 0.38060 0.37457 0.39330 -0.04145 -0.00613 -0.05033 378 THR A N    
830  C  CA   . THR A 59  ? 0.36416 0.38078 0.39122 -0.05024 0.00225  -0.06033 378 THR A CA   
831  C  C    . THR A 59  ? 0.42516 0.49188 0.46319 -0.05937 -0.00333 -0.05555 378 THR A C    
832  O  O    . THR A 59  ? 0.46174 0.54829 0.51281 -0.06237 -0.00081 -0.04982 378 THR A O    
833  C  CB   . THR A 59  ? 0.52859 0.53848 0.55811 -0.05716 0.00565  -0.08148 378 THR A CB   
834  O  OG1  . THR A 59  ? 0.56720 0.53030 0.58773 -0.04796 0.00866  -0.08246 378 THR A OG1  
835  C  CG2  . THR A 59  ? 0.72788 0.75038 0.76862 -0.07119 0.00856  -0.09133 378 THR A CG2  
836  H  H    . THR A 59  ? 0.46000 0.46000 0.46000 0.00000  0.00000  -0.00000 378 THR A H    
837  H  HA   . THR A 59  ? 0.45508 0.45508 0.45508 -0.00000 -0.00000 -0.00000 378 THR A HA   
838  H  HB   . THR A 59  ? 0.65069 0.65069 0.65069 0.00000  0.00000  -0.00000 378 THR A HB   
839  H  HG1  . THR A 59  ? 0.67471 0.67471 0.67471 0.00000  -0.00000 0.00000  378 THR A HG1  
840  H  HG21 . THR A 59  ? 0.89937 0.89937 0.89937 -0.00000 -0.00000 0.00000  378 THR A HG21 
841  H  HG22 . THR A 59  ? 0.89937 0.89937 0.89937 -0.00000 -0.00000 0.00000  378 THR A HG22 
842  H  HG23 . THR A 59  ? 0.89937 0.89937 0.89937 -0.00000 -0.00000 0.00000  378 THR A HG23 
843  N  N    . LEU A 60  ? 0.41984 0.51283 0.45433 -0.06427 -0.01136 -0.05427 379 LEU A N    
844  C  CA   . LEU A 60  ? 0.28409 0.42390 0.32418 -0.07309 -0.01907 -0.04557 379 LEU A CA   
845  C  C    . LEU A 60  ? 0.28477 0.42114 0.32890 -0.06344 -0.02426 -0.02356 379 LEU A C    
846  O  O    . LEU A 60  ? 0.33129 0.49924 0.38958 -0.06667 -0.02590 -0.01758 379 LEU A O    
847  C  CB   . LEU A 60  ? 0.34173 0.50975 0.37417 -0.07894 -0.02573 -0.04119 379 LEU A CB   
848  C  CG   . LEU A 60  ? 0.39584 0.57989 0.42283 -0.08281 -0.01831 -0.06429 379 LEU A CG   
849  C  CD1  . LEU A 60  ? 0.33364 0.54822 0.35666 -0.08408 -0.02083 -0.05323 379 LEU A CD1  
850  C  CD2  . LEU A 60  ? 0.37336 0.58679 0.39691 -0.09427 -0.01864 -0.08109 379 LEU A CD2  
851  H  H    . LEU A 60  ? 0.55541 0.55541 0.55541 -0.00000 0.00000  0.00000  379 LEU A H    
852  H  HA   . LEU A 60  ? 0.40980 0.40980 0.40980 0.00000  -0.00000 -0.00000 379 LEU A HA   
853  H  HB2  . LEU A 60  ? 0.49087 0.49087 0.49087 0.00000  -0.00000 0.00000  379 LEU A HB2  
854  H  HB3  . LEU A 60  ? 0.49087 0.49087 0.49087 0.00000  -0.00000 0.00000  379 LEU A HB3  
855  H  HG   . LEU A 60  ? 0.56004 0.56004 0.56004 0.00000  -0.00000 0.00000  379 LEU A HG   
856  H  HD11 . LEU A 60  ? 0.49602 0.49602 0.49602 0.00000  -0.00000 -0.00000 379 LEU A HD11 
857  H  HD12 . LEU A 60  ? 0.49602 0.49602 0.49602 0.00000  -0.00000 -0.00000 379 LEU A HD12 
858  H  HD13 . LEU A 60  ? 0.49602 0.49602 0.49602 0.00000  -0.00000 -0.00000 379 LEU A HD13 
859  H  HD21 . LEU A 60  ? 0.54344 0.54344 0.54344 0.00000  0.00000  0.00000  379 LEU A HD21 
860  H  HD22 . LEU A 60  ? 0.54344 0.54344 0.54344 0.00000  0.00000  0.00000  379 LEU A HD22 
861  H  HD23 . LEU A 60  ? 0.54344 0.54344 0.54344 0.00000  0.00000  0.00000  379 LEU A HD23 
862  N  N    . VAL A 61  ? 0.37241 0.46921 0.40306 -0.05030 -0.02896 -0.01113 380 VAL A N    
863  C  CA   . VAL A 61  ? 0.30827 0.39090 0.33578 -0.03468 -0.03430 0.00667  380 VAL A CA   
864  C  C    . VAL A 61  ? 0.33633 0.41897 0.37498 -0.02237 -0.01957 0.00427  380 VAL A C    
865  O  O    . VAL A 61  ? 0.37540 0.47957 0.42630 -0.01142 -0.01980 0.01714  380 VAL A O    
866  C  CB   . VAL A 61  ? 0.43884 0.46512 0.44074 -0.02353 -0.04543 0.01641  380 VAL A CB   
867  C  CG1  . VAL A 61  ? 0.45393 0.45389 0.44481 -0.00162 -0.05181 0.03099  380 VAL A CG1  
868  C  CG2  . VAL A 61  ? 0.42149 0.46083 0.42077 -0.04081 -0.06070 0.02537  380 VAL A CG2  
869  H  H    . VAL A 61  ? 0.49849 0.49849 0.49849 -0.00000 -0.00000 0.00000  380 VAL A H    
870  H  HA   . VAL A 61  ? 0.41459 0.41459 0.41459 0.00000  -0.00000 -0.00000 380 VAL A HA   
871  H  HB   . VAL A 61  ? 0.53850 0.53850 0.53850 0.00000  0.00000  0.00000  380 VAL A HB   
872  H  HG11 . VAL A 61  ? 0.54167 0.54167 0.54167 -0.00000 0.00000  -0.00000 380 VAL A HG11 
873  H  HG12 . VAL A 61  ? 0.54167 0.54167 0.54167 -0.00000 0.00000  -0.00000 380 VAL A HG12 
874  H  HG13 . VAL A 61  ? 0.54167 0.54167 0.54167 -0.00000 0.00000  -0.00000 380 VAL A HG13 
875  H  HG21 . VAL A 61  ? 0.52185 0.52185 0.52185 0.00000  -0.00000 -0.00000 380 VAL A HG21 
876  H  HG22 . VAL A 61  ? 0.52185 0.52185 0.52185 0.00000  -0.00000 -0.00000 380 VAL A HG22 
877  H  HG23 . VAL A 61  ? 0.52185 0.52185 0.52185 0.00000  -0.00000 -0.00000 380 VAL A HG23 
878  N  N    . HIS A 62  ? 0.37477 0.43860 0.41246 -0.02387 -0.00654 -0.00906 381 HIS A N    
879  C  CA   . HIS A 62  ? 0.42802 0.50160 0.47996 -0.01658 0.00855  -0.00634 381 HIS A CA   
880  C  C    . HIS A 62  ? 0.32264 0.45712 0.40732 -0.03384 0.00755  -0.00441 381 HIS A C    
881  O  O    . HIS A 62  ? 0.35600 0.52149 0.46231 -0.02575 0.01416  0.00935  381 HIS A O    
882  C  CB   . HIS A 62  ? 0.45797 0.49837 0.50144 -0.01926 0.02010  -0.01728 381 HIS A CB   
883  C  CG   . HIS A 62  ? 0.44242 0.50497 0.50678 -0.02193 0.03503  -0.01176 381 HIS A CG   
884  N  ND1  . HIS A 62  ? 0.72120 0.78582 0.78466 0.00040  0.04907  0.00316  381 HIS A ND1  
885  C  CD2  . HIS A 62  ? 0.62926 0.71434 0.71607 -0.04521 0.03730  -0.01724 381 HIS A CD2  
886  C  CE1  . HIS A 62  ? 0.39551 0.49230 0.48535 -0.01076 0.06125  0.01031  381 HIS A CE1  
887  N  NE2  . HIS A 62  ? 0.47296 0.57864 0.57728 -0.04092 0.05195  -0.00148 381 HIS A NE2  
888  H  H    . HIS A 62  ? 0.49095 0.49095 0.49095 -0.00000 0.00000  0.00000  381 HIS A H    
889  H  HA   . HIS A 62  ? 0.56445 0.56445 0.56445 -0.00000 -0.00000 0.00000  381 HIS A HA   
890  H  HB2  . HIS A 62  ? 0.58373 0.58373 0.58373 0.00000  -0.00000 -0.00000 381 HIS A HB2  
891  H  HB3  . HIS A 62  ? 0.58373 0.58373 0.58373 0.00000  -0.00000 -0.00000 381 HIS A HB3  
892  H  HD1  . HIS A 62  ? 0.91729 0.91729 0.91729 -0.00000 -0.00000 0.00000  381 HIS A HD1  
893  H  HD2  . HIS A 62  ? 0.82449 0.82449 0.82449 0.00000  0.00000  0.00000  381 HIS A HD2  
894  H  HE1  . HIS A 62  ? 0.54988 0.54988 0.54988 -0.00000 0.00000  -0.00000 381 HIS A HE1  
895  N  N    . LEU A 63  ? 0.47014 0.62456 0.55766 -0.05658 -0.00141 -0.01764 382 LEU A N    
896  C  CA   . LEU A 63  ? 0.54892 0.75457 0.66001 -0.07678 -0.00745 -0.01844 382 LEU A CA   
897  C  C    . LEU A 63  ? 0.39635 0.64595 0.52310 -0.07060 -0.01665 0.00212  382 LEU A C    
898  O  O    . LEU A 63  ? 0.34431 0.63970 0.49986 -0.07941 -0.01918 0.01171  382 LEU A O    
899  C  CB   . LEU A 63  ? 0.43492 0.64510 0.53274 -0.09720 -0.01618 -0.04027 382 LEU A CB   
900  C  CG   . LEU A 63  ? 0.78625 1.03523 0.89779 -0.12200 -0.02625 -0.04742 382 LEU A CG   
901  C  CD1  . LEU A 63  ? 0.98013 1.21676 1.10934 -0.13345 -0.02054 -0.04997 382 LEU A CD1  
902  C  CD2  . LEU A 63  ? 0.83816 1.08826 0.92414 -0.13499 -0.03464 -0.07145 382 LEU A CD2  
903  H  H    . LEU A 63  ? 0.66156 0.66156 0.66156 0.00000  0.00000  0.00000  382 LEU A H    
904  H  HA   . LEU A 63  ? 0.78602 0.78602 0.78602 -0.00000 0.00000  -0.00000 382 LEU A HA   
905  H  HB2  . LEU A 63  ? 0.64572 0.64572 0.64572 -0.00000 0.00000  0.00000  382 LEU A HB2  
906  H  HB3  . LEU A 63  ? 0.64572 0.64572 0.64572 -0.00000 0.00000  0.00000  382 LEU A HB3  
907  H  HG   . LEU A 63  ? 1.08832 1.08832 1.08832 -0.00000 -0.00000 0.00000  382 LEU A HG   
908  H  HD11 . LEU A 63  ? 1.32311 1.32311 1.32311 0.00000  -0.00000 -0.00000 382 LEU A HD11 
909  H  HD12 . LEU A 63  ? 1.32311 1.32311 1.32311 0.00000  -0.00000 -0.00000 382 LEU A HD12 
910  H  HD13 . LEU A 63  ? 1.32311 1.32311 1.32311 0.00000  -0.00000 -0.00000 382 LEU A HD13 
911  H  HD21 . LEU A 63  ? 1.14084 1.14084 1.14084 -0.00000 -0.00000 0.00000  382 LEU A HD21 
912  H  HD22 . LEU A 63  ? 1.14084 1.14084 1.14084 -0.00000 -0.00000 0.00000  382 LEU A HD22 
913  H  HD23 . LEU A 63  ? 1.14084 1.14084 1.14084 -0.00000 -0.00000 0.00000  382 LEU A HD23 
914  N  N    . LYS A 64  ? 0.38256 0.61912 0.49291 -0.05682 -0.02424 0.01184  383 LYS A N    
915  C  CA   . LYS A 64  ? 0.37479 0.64543 0.49741 -0.04892 -0.03591 0.03325  383 LYS A CA   
916  C  C    . LYS A 64  ? 0.41808 0.67341 0.54743 -0.01639 -0.02833 0.05037  383 LYS A C    
917  O  O    . LYS A 64  ? 0.54832 0.84084 0.69928 -0.00559 -0.03448 0.06908  383 LYS A O    
918  C  CB   . LYS A 64  ? 0.47450 0.73893 0.57508 -0.05373 -0.05143 0.03881  383 LYS A CB   
919  C  CG   . LYS A 64  ? 0.86849 1.17815 0.98076 -0.05666 -0.06834 0.05961  383 LYS A CG   
920  C  CD   . LYS A 64  ? 0.84996 1.15767 0.93923 -0.06713 -0.08307 0.06814  383 LYS A CD   
921  C  CE   . LYS A 64  ? 0.62318 0.97842 0.72126 -0.07365 -0.10155 0.09033  383 LYS A CE   
922  N  NZ   . LYS A 64  ? 0.78137 1.19293 0.89901 -0.08989 -0.10322 0.08310  383 LYS A NZ   
923  H  H    . LYS A 64  ? 0.59845 0.59845 0.59845 0.00000  0.00000  -0.00000 383 LYS A H    
924  H  HA   . LYS A 64  ? 0.60767 0.60767 0.60767 0.00000  -0.00000 0.00000  383 LYS A HA   
925  H  HB2  . LYS A 64  ? 0.71602 0.71602 0.71602 0.00000  -0.00000 0.00000  383 LYS A HB2  
926  H  HB3  . LYS A 64  ? 0.71602 0.71602 0.71602 0.00000  -0.00000 0.00000  383 LYS A HB3  
927  H  HG2  . LYS A 64  ? 1.21158 1.21158 1.21158 -0.00000 -0.00000 -0.00000 383 LYS A HG2  
928  H  HG3  . LYS A 64  ? 1.21158 1.21158 1.21158 -0.00000 -0.00000 -0.00000 383 LYS A HG3  
929  H  HD2  . LYS A 64  ? 1.17936 1.17936 1.17936 0.00000  -0.00000 -0.00000 383 LYS A HD2  
930  H  HD3  . LYS A 64  ? 1.17936 1.17936 1.17936 0.00000  -0.00000 -0.00000 383 LYS A HD3  
931  H  HE2  . LYS A 64  ? 0.92976 0.92976 0.92976 -0.00000 -0.00000 -0.00000 383 LYS A HE2  
932  H  HE3  . LYS A 64  ? 0.92976 0.92976 0.92976 -0.00000 -0.00000 -0.00000 383 LYS A HE3  
933  H  HZ1  . LYS A 64  ? 1.14994 1.14994 1.14994 -0.00000 -0.00000 -0.00000 383 LYS A HZ1  
934  H  HZ2  . LYS A 64  ? 1.14994 1.14994 1.14994 -0.00000 -0.00000 -0.00000 383 LYS A HZ2  
935  H  HZ3  . LYS A 64  ? 1.14994 1.14994 1.14994 -0.00000 -0.00000 -0.00000 383 LYS A HZ3  
936  N  N    . PHE A 65  ? 0.53212 0.73396 0.64106 0.00196  -0.01552 0.04420  384 PHE A N    
937  C  CA   . PHE A 65  ? 0.54781 0.72726 0.65168 0.03824  -0.00553 0.05572  384 PHE A CA   
938  C  C    . PHE A 65  ? 0.73670 0.89840 0.83679 0.04583  0.01714  0.04758  384 PHE A C    
939  O  O    . PHE A 65  ? 0.73048 0.83151 0.79454 0.06218  0.02233  0.04049  384 PHE A O    
940  C  CB   . PHE A 65  ? 0.55423 0.66942 0.61927 0.05753  -0.01883 0.05897  384 PHE A CB   
941  C  CG   . PHE A 65  ? 0.44489 0.57248 0.51015 0.04479  -0.04276 0.07059  384 PHE A CG   
942  C  CD1  . PHE A 65  ? 0.97034 1.11927 1.04924 0.06228  -0.05300 0.09042  384 PHE A CD1  
943  C  CD2  . PHE A 65  ? 0.52944 0.65224 0.58262 0.01651  -0.05436 0.06436  384 PHE A CD2  
944  C  CE1  . PHE A 65  ? 0.71482 0.87542 0.79224 0.04827  -0.07667 0.10522  384 PHE A CE1  
945  C  CE2  . PHE A 65  ? 0.61090 0.75241 0.66330 0.00276  -0.07477 0.07918  384 PHE A CE2  
946  C  CZ   . PHE A 65  ? 0.59448 0.75239 0.65743 0.01698  -0.08701 0.10032  384 PHE A CZ   
947  H  H    . PHE A 65  ? 0.76347 0.76347 0.76347 -0.00000 -0.00000 0.00000  384 PHE A H    
948  H  HA   . PHE A 65  ? 0.77131 0.77131 0.77131 0.00000  -0.00000 0.00000  384 PHE A HA   
949  H  HB2  . PHE A 65  ? 0.73778 0.73778 0.73778 -0.00000 -0.00000 0.00000  384 PHE A HB2  
950  H  HB3  . PHE A 65  ? 0.73778 0.73778 0.73778 -0.00000 -0.00000 0.00000  384 PHE A HB3  
951  H  HD1  . PHE A 65  ? 1.25615 1.25615 1.25615 0.00000  -0.00000 0.00000  384 PHE A HD1  
952  H  HD2  . PHE A 65  ? 0.70634 0.70634 0.70634 -0.00000 -0.00000 0.00000  384 PHE A HD2  
953  H  HE1  . PHE A 65  ? 0.95361 0.95361 0.95361 -0.00000 -0.00000 -0.00000 384 PHE A HE1  
954  H  HE2  . PHE A 65  ? 0.81126 0.81126 0.81126 0.00000  -0.00000 -0.00000 384 PHE A HE2  
955  H  HZ   . PHE A 65  ? 0.80233 0.80233 0.80233 0.00000  -0.00000 -0.00000 384 PHE A HZ   
956  N  N    . PRO A 66  ? 0.53544 0.74932 0.67121 0.03214  0.02887  0.05109  385 PRO A N    
957  C  CA   . PRO A 66  ? 0.57624 0.77508 0.70890 0.03125  0.04893  0.04629  385 PRO A CA   
958  C  C    . PRO A 66  ? 0.56817 0.74173 0.68047 0.07084  0.06859  0.05439  385 PRO A C    
959  O  O    . PRO A 66  ? 0.62580 0.76133 0.71339 0.07424  0.08172  0.04780  385 PRO A O    
960  C  CB   . PRO A 66  ? 0.48139 0.74929 0.66251 0.00498  0.05203  0.05537  385 PRO A CB   
961  C  CG   . PRO A 66  ? 0.57823 0.88730 0.77888 -0.01343 0.03022  0.05703  385 PRO A CG   
962  C  CD   . PRO A 66  ? 0.53531 0.82389 0.71546 0.01377  0.02125  0.06263  385 PRO A CD   
963  H  HA   . PRO A 66  ? 0.82470 0.82470 0.82470 0.00000  -0.00000 0.00000  385 PRO A HA   
964  H  HB2  . PRO A 66  ? 0.75789 0.75789 0.75789 0.00000  -0.00000 0.00000  385 PRO A HB2  
965  H  HB3  . PRO A 66  ? 0.75789 0.75789 0.75789 0.00000  -0.00000 0.00000  385 PRO A HB3  
966  H  HG2  . PRO A 66  ? 0.89838 0.89838 0.89838 -0.00000 0.00000  0.00000  385 PRO A HG2  
967  H  HG3  . PRO A 66  ? 0.89838 0.89838 0.89838 -0.00000 0.00000  0.00000  385 PRO A HG3  
968  H  HD2  . PRO A 66  ? 0.83048 0.83048 0.83048 -0.00000 -0.00000 0.00000  385 PRO A HD2  
969  H  HD3  . PRO A 66  ? 0.83048 0.83048 0.83048 -0.00000 -0.00000 0.00000  385 PRO A HD3  
970  N  N    . THR A 67  ? 0.69411 0.88554 0.81224 0.10338  0.07074  0.06815  386 THR A N    
971  C  CA   . THR A 67  ? 1.01859 1.18720 1.11226 0.14796  0.09153  0.07351  386 THR A CA   
972  C  C    . THR A 67  ? 0.90796 0.98314 0.93741 0.17187  0.08098  0.05960  386 THR A C    
973  O  O    . THR A 67  ? 0.99561 1.03006 0.98597 0.20336  0.09711  0.05577  386 THR A O    
974  C  CB   . THR A 67  ? 0.81587 1.04577 0.94518 0.17916  0.09967  0.09435  386 THR A CB   
975  O  OG1  . THR A 67  ? 0.78494 1.00555 0.91413 0.18294  0.07384  0.09679  386 THR A OG1  
976  C  CG2  . THR A 67  ? 1.10645 1.43429 1.30261 0.15384  0.10911  0.11257  386 THR A CG2  
977  H  H    . THR A 67  ? 0.95737 0.95737 0.95737 0.00000  -0.00000 0.00000  386 THR A H    
978  H  HA   . THR A 67  ? 1.32783 1.32783 1.32783 0.00000  -0.00000 0.00000  386 THR A HA   
979  H  HB   . THR A 67  ? 1.12334 1.12334 1.12334 -0.00000 -0.00000 0.00000  386 THR A HB   
980  H  HG1  . THR A 67  ? 1.08246 1.08246 1.08246 0.00000  0.00000  -0.00000 386 THR A HG1  
981  H  HG21 . THR A 67  ? 1.53796 1.53796 1.53796 -0.00000 -0.00000 -0.00000 386 THR A HG21 
982  H  HG22 . THR A 67  ? 1.53796 1.53796 1.53796 -0.00000 -0.00000 -0.00000 386 THR A HG22 
983  H  HG23 . THR A 67  ? 1.53796 1.53796 1.53796 -0.00000 -0.00000 -0.00000 386 THR A HG23 
984  N  N    . LYS A 68  ? 1.06322 1.10453 1.07879 0.15618  0.05330  0.05345  387 LYS A N    
985  C  CA   . LYS A 68  ? 0.87354 0.82655 0.83190 0.17262  0.03677  0.04436  387 LYS A CA   
986  C  C    . LYS A 68  ? 1.04948 0.95284 0.97770 0.14902  0.03082  0.02955  387 LYS A C    
987  O  O    . LYS A 68  ? 1.33398 1.16728 1.21081 0.16743  0.02888  0.02138  387 LYS A O    
988  C  CB   . LYS A 68  ? 1.20029 1.14451 1.16120 0.16635  0.00785  0.05212  387 LYS A CB   
989  C  CG   . LYS A 68  ? 1.22683 1.20992 1.21338 0.19439  0.00841  0.06878  387 LYS A CG   
990  C  CD   . LYS A 68  ? 1.34924 1.31612 1.33339 0.18523  -0.02328 0.07950  387 LYS A CD   
991  C  CE   . LYS A 68  ? 1.31122 1.31514 1.32213 0.21540  -0.02531 0.09825  387 LYS A CE   
992  N  NZ   . LYS A 68  ? 1.14814 1.13420 1.15516 0.20454  -0.05833 0.11272  387 LYS A NZ   
993  H  H    . LYS A 68  ? 1.29923 1.29923 1.29923 0.00000  0.00000  -0.00000 387 LYS A H    
994  H  HA   . LYS A 68  ? 1.01341 1.01341 1.01341 -0.00000 -0.00000 0.00000  387 LYS A HA   
995  H  HB2  . LYS A 68  ? 1.40301 1.40301 1.40301 0.00000  -0.00000 -0.00000 387 LYS A HB2  
996  H  HB3  . LYS A 68  ? 1.40301 1.40301 1.40301 0.00000  -0.00000 -0.00000 387 LYS A HB3  
997  H  HG2  . LYS A 68  ? 1.46067 1.46067 1.46067 -0.00000 -0.00000 -0.00000 387 LYS A HG2  
998  H  HG3  . LYS A 68  ? 1.46067 1.46067 1.46067 -0.00000 -0.00000 -0.00000 387 LYS A HG3  
999  H  HD2  . LYS A 68  ? 1.60012 1.60012 1.60012 -0.00000 -0.00000 0.00000  387 LYS A HD2  
1000 H  HD3  . LYS A 68  ? 1.60012 1.60012 1.60012 -0.00000 -0.00000 0.00000  387 LYS A HD3  
1001 H  HE2  . LYS A 68  ? 1.58001 1.58001 1.58001 0.00000  -0.00000 0.00000  387 LYS A HE2  
1002 H  HE3  . LYS A 68  ? 1.58001 1.58001 1.58001 0.00000  -0.00000 0.00000  387 LYS A HE3  
1003 H  HZ1  . LYS A 68  ? 1.37561 1.37561 1.37561 -0.00000 -0.00000 0.00000  387 LYS A HZ1  
1004 H  HZ2  . LYS A 68  ? 1.37561 1.37561 1.37561 -0.00000 -0.00000 0.00000  387 LYS A HZ2  
1005 H  HZ3  . LYS A 68  ? 1.37561 1.37561 1.37561 -0.00000 -0.00000 0.00000  387 LYS A HZ3  
1006 N  N    . VAL A 69  ? 1.04146 0.97804 0.99818 0.11065  0.02654  0.02545  388 VAL A N    
1007 C  CA   . VAL A 69  ? 0.67270 0.57033 0.60895 0.08953  0.01897  0.01334  388 VAL A CA   
1008 C  C    . VAL A 69  ? 0.57336 0.50193 0.53263 0.07187  0.03711  0.00803  388 VAL A C    
1009 O  O    . VAL A 69  ? 0.59908 0.58763 0.59964 0.05611  0.04375  0.01164  388 VAL A O    
1010 C  CB   . VAL A 69  ? 0.77331 0.67571 0.71800 0.06295  -0.00473 0.01290  388 VAL A CB   
1011 C  CG1  . VAL A 69  ? 0.79534 0.65812 0.71978 0.04802  -0.01325 0.00355  388 VAL A CG1  
1012 C  CG2  . VAL A 69  ? 1.06730 0.94721 0.99706 0.07499  -0.02508 0.02443  388 VAL A CG2  
1013 H  H    . VAL A 69  ? 1.20769 1.20769 1.20769 -0.00000 -0.00000 0.00000  388 VAL A H    
1014 H  HA   . VAL A 69  ? 0.74140 0.74140 0.74140 -0.00000 0.00000  0.00000  388 VAL A HA   
1015 H  HB   . VAL A 69  ? 0.86742 0.86742 0.86742 -0.00000 0.00000  -0.00000 388 VAL A HB   
1016 H  HG11 . VAL A 69  ? 0.86991 0.86991 0.86991 -0.00000 -0.00000 -0.00000 388 VAL A HG11 
1017 H  HG12 . VAL A 69  ? 0.86991 0.86991 0.86991 -0.00000 -0.00000 -0.00000 388 VAL A HG12 
1018 H  HG13 . VAL A 69  ? 0.86991 0.86991 0.86991 -0.00000 -0.00000 -0.00000 388 VAL A HG13 
1019 H  HG21 . VAL A 69  ? 1.20524 1.20524 1.20524 -0.00000 -0.00000 -0.00000 388 VAL A HG21 
1020 H  HG22 . VAL A 69  ? 1.20524 1.20524 1.20524 -0.00000 -0.00000 -0.00000 388 VAL A HG22 
1021 H  HG23 . VAL A 69  ? 1.20524 1.20524 1.20524 -0.00000 -0.00000 -0.00000 388 VAL A HG23 
1022 N  N    . GLY A 70  ? 0.44050 0.32393 0.37098 0.07276  0.04163  0.00076  389 GLY A N    
1023 C  CA   . GLY A 70  ? 0.42020 0.31942 0.36816 0.05370  0.05372  -0.00315 389 GLY A CA   
1024 C  C    . GLY A 70  ? 0.38504 0.28855 0.34877 0.02562  0.03966  -0.01426 389 GLY A C    
1025 O  O    . GLY A 70  ? 0.66879 0.56380 0.62715 0.02069  0.02229  -0.01734 389 GLY A O    
1026 H  H    . GLY A 70  ? 0.45478 0.45478 0.45478 -0.00000 -0.00000 0.00000  389 GLY A H    
1027 H  HA2  . GLY A 70  ? 0.44373 0.44373 0.44373 -0.00000 0.00000  -0.00000 389 GLY A HA2  
1028 H  HA3  . GLY A 70  ? 0.44373 0.44373 0.44373 -0.00000 0.00000  -0.00000 389 GLY A HA3  
1029 N  N    . LYS A 71  ? 0.47427 0.39150 0.45726 0.00778  0.04749  -0.01911 390 LYS A N    
1030 C  CA   . LYS A 71  ? 0.66771 0.58778 0.66353 -0.01321 0.03715  -0.03292 390 LYS A CA   
1031 C  C    . LYS A 71  ? 0.81801 0.68731 0.79018 -0.01034 0.03236  -0.03880 390 LYS A C    
1032 O  O    . LYS A 71  ? 0.71276 0.54323 0.65594 0.00405  0.03549  -0.03220 390 LYS A O    
1033 C  CB   . LYS A 71  ? 0.75560 0.70796 0.78143 -0.03419 0.04274  -0.03701 390 LYS A CB   
1034 C  CG   . LYS A 71  ? 0.99143 0.93572 1.01992 -0.03584 0.05752  -0.02643 390 LYS A CG   
1035 C  CD   . LYS A 71  ? 1.10641 1.08326 1.16765 -0.06266 0.05713  -0.02686 390 LYS A CD   
1036 C  CE   . LYS A 71  ? 1.02875 1.00627 1.09802 -0.06890 0.07147  -0.00905 390 LYS A CE   
1037 N  NZ   . LYS A 71  ? 1.21231 1.21976 1.31568 -0.10099 0.06590  -0.00585 390 LYS A NZ   
1038 H  H    . LYS A 71  ? 0.52983 0.52983 0.52983 -0.00000 -0.00000 0.00000  390 LYS A H    
1039 H  HA   . LYS A 71  ? 0.76822 0.76822 0.76822 0.00000  -0.00000 0.00000  390 LYS A HA   
1040 H  HB2  . LYS A 71  ? 0.89861 0.89861 0.89861 -0.00000 0.00000  -0.00000 390 LYS A HB2  
1041 H  HB3  . LYS A 71  ? 0.89861 0.89861 0.89861 -0.00000 0.00000  -0.00000 390 LYS A HB3  
1042 H  HG2  . LYS A 71  ? 1.17944 1.17944 1.17944 0.00000  -0.00000 0.00000  390 LYS A HG2  
1043 H  HG3  . LYS A 71  ? 1.17944 1.17944 1.17944 0.00000  -0.00000 0.00000  390 LYS A HG3  
1044 H  HD2  . LYS A 71  ? 1.34354 1.34354 1.34354 0.00000  0.00000  -0.00000 390 LYS A HD2  
1045 H  HD3  . LYS A 71  ? 1.34354 1.34354 1.34354 0.00000  0.00000  -0.00000 390 LYS A HD3  
1046 H  HE2  . LYS A 71  ? 1.25383 1.25383 1.25383 0.00000  -0.00000 0.00000  390 LYS A HE2  
1047 H  HE3  . LYS A 71  ? 1.25383 1.25383 1.25383 0.00000  -0.00000 0.00000  390 LYS A HE3  
1048 H  HZ1  . LYS A 71  ? 1.49972 1.49972 1.49972 -0.00000 -0.00000 -0.00000 390 LYS A HZ1  
1049 H  HZ2  . LYS A 71  ? 1.49972 1.49972 1.49972 -0.00000 -0.00000 -0.00000 390 LYS A HZ2  
1050 H  HZ3  . LYS A 71  ? 1.49972 1.49972 1.49972 -0.00000 -0.00000 -0.00000 390 LYS A HZ3  
1051 N  N    . ALA A 72  ? 0.76238 0.63324 0.74513 -0.02207 0.02424  -0.05138 391 ALA A N    
1052 C  CA   . ALA A 72  ? 0.50393 0.33511 0.47257 -0.01846 0.01812  -0.05531 391 ALA A CA   
1053 C  C    . ALA A 72  ? 0.68909 0.48941 0.65049 -0.01929 0.02747  -0.05262 391 ALA A C    
1054 O  O    . ALA A 72  ? 0.66841 0.48431 0.64251 -0.02790 0.03844  -0.04909 391 ALA A O    
1055 C  CB   . ALA A 72  ? 0.80308 0.65188 0.78879 -0.02545 0.01083  -0.06931 391 ALA A CB   
1056 H  H    . ALA A 72  ? 0.85692 0.85692 0.85692 -0.00000 0.00000  0.00000  391 ALA A H    
1057 H  HA   . ALA A 72  ? 0.52526 0.52526 0.52526 -0.00000 0.00000  -0.00000 391 ALA A HA   
1058 H  HB1  . ALA A 72  ? 0.89811 0.89811 0.89811 -0.00000 0.00000  0.00000  391 ALA A HB1  
1059 H  HB2  . ALA A 72  ? 0.89811 0.89811 0.89811 -0.00000 0.00000  0.00000  391 ALA A HB2  
1060 H  HB3  . ALA A 72  ? 0.89811 0.89811 0.89811 -0.00000 0.00000  0.00000  391 ALA A HB3  
1061 N  N    . CYS A 73  ? 0.51295 0.27168 0.45428 -0.01194 0.02101  -0.05030 392 CYS A N    
1062 C  CA   . CYS A 73  ? 0.69932 0.42417 0.62842 -0.01277 0.02805  -0.04357 392 CYS A CA   
1063 C  C    . CYS A 73  ? 0.64661 0.34825 0.58526 -0.01626 0.01895  -0.05231 392 CYS A C    
1064 O  O    . CYS A 73  ? 0.61077 0.31442 0.55393 -0.01010 0.00709  -0.05857 392 CYS A O    
1065 C  CB   . CYS A 73  ? 0.62877 0.31739 0.51687 0.00182  0.02835  -0.03068 392 CYS A CB   
1066 S  SG   . CYS A 73  ? 1.39410 1.09933 1.26602 0.01191  0.04964  -0.01788 392 CYS A SG   
1067 H  H    . CYS A 73  ? 0.49618 0.49618 0.49618 -0.00000 -0.00000 0.00000  392 CYS A H    
1068 H  HA   . CYS A 73  ? 0.70138 0.70138 0.70138 -0.00000 0.00000  0.00000  392 CYS A HA   
1069 H  HB2  . CYS A 73  ? 0.58583 0.58583 0.58583 -0.00000 -0.00000 0.00000  392 CYS A HB2  
1070 H  HB3  . CYS A 73  ? 0.58583 0.58583 0.58583 -0.00000 -0.00000 0.00000  392 CYS A HB3  
1071 N  N    . CYS A 74  ? 0.76765 0.45019 0.71133 -0.02565 0.02393  -0.05048 393 CYS A N    
1072 C  CA   . CYS A 74  ? 0.56834 0.21767 0.51817 -0.02573 0.01469  -0.05795 393 CYS A CA   
1073 C  C    . CYS A 74  ? 0.74665 0.35621 0.67121 -0.01631 0.00917  -0.04180 393 CYS A C    
1074 O  O    . CYS A 74  ? 0.81808 0.40367 0.72412 -0.02211 0.01686  -0.02596 393 CYS A O    
1075 C  CB   . CYS A 74  ? 0.78137 0.42211 0.74667 -0.04372 0.01758  -0.06240 393 CYS A CB   
1076 S  SG   . CYS A 74  ? 0.91723 0.51327 0.89040 -0.03998 0.00213  -0.07109 393 CYS A SG   
1077 H  H    . CYS A 74  ? 0.77228 0.77228 0.77228 -0.00000 -0.00000 -0.00000 393 CYS A H    
1078 H  HA   . CYS A 74  ? 0.52229 0.52229 0.52229 -0.00000 -0.00000 -0.00000 393 CYS A HA   
1079 H  HB2  . CYS A 74  ? 0.78067 0.78067 0.78067 -0.00000 0.00000  0.00000  393 CYS A HB2  
1080 H  HB3  . CYS A 74  ? 0.78067 0.78067 0.78067 -0.00000 0.00000  0.00000  393 CYS A HB3  
1081 N  N    . VAL A 75  ? 0.58523 0.20216 0.51437 -0.00333 -0.00369 -0.04253 394 VAL A N    
1082 C  CA   . VAL A 75  ? 0.75310 0.35289 0.66254 0.00419  -0.01153 -0.02618 394 VAL A CA   
1083 C  C    . VAL A 75  ? 0.77073 0.36606 0.70006 0.01171  -0.02177 -0.02777 394 VAL A C    
1084 O  O    . VAL A 75  ? 0.63559 0.24307 0.58826 0.01623  -0.02266 -0.04264 394 VAL A O    
1085 C  CB   . VAL A 75  ? 0.73663 0.34260 0.62100 0.01014  -0.01825 -0.02054 394 VAL A CB   
1086 C  CG1  . VAL A 75  ? 0.95010 0.54927 0.80547 0.00954  -0.00497 -0.01743 394 VAL A CG1  
1087 C  CG2  . VAL A 75  ? 0.62079 0.25082 0.52529 0.01179  -0.02759 -0.03005 394 VAL A CG2  
1088 H  H    . VAL A 75  ? 0.52132 0.52132 0.52132 0.00000  0.00000  -0.00000 394 VAL A H    
1089 H  HA   . VAL A 75  ? 0.70803 0.70803 0.70803 0.00000  -0.00000 -0.00000 394 VAL A HA   
1090 H  HB   . VAL A 75  ? 0.68071 0.68071 0.68071 0.00000  -0.00000 -0.00000 394 VAL A HB   
1091 H  HG11 . VAL A 75  ? 0.92255 0.92255 0.92255 -0.00000 -0.00000 0.00000  394 VAL A HG11 
1092 H  HG12 . VAL A 75  ? 0.92255 0.92255 0.92255 -0.00000 -0.00000 0.00000  394 VAL A HG12 
1093 H  HG13 . VAL A 75  ? 0.92255 0.92255 0.92255 -0.00000 -0.00000 0.00000  394 VAL A HG13 
1094 H  HG21 . VAL A 75  ? 0.55938 0.55938 0.55938 0.00000  -0.00000 -0.00000 394 VAL A HG21 
1095 H  HG22 . VAL A 75  ? 0.55938 0.55938 0.55938 0.00000  -0.00000 -0.00000 394 VAL A HG22 
1096 H  HG23 . VAL A 75  ? 0.55938 0.55938 0.55938 0.00000  -0.00000 -0.00000 394 VAL A HG23 
1097 N  N    . PRO A 76  ? 0.71410 0.28795 0.62845 0.01548  -0.02931 -0.01274 395 PRO A N    
1098 C  CA   . PRO A 76  ? 0.66205 0.22874 0.59087 0.02593  -0.04109 -0.01100 395 PRO A CA   
1099 C  C    . PRO A 76  ? 0.67905 0.26438 0.61445 0.03383  -0.05545 -0.01271 395 PRO A C    
1100 O  O    . PRO A 76  ? 0.81018 0.39945 0.72430 0.03009  -0.06432 -0.00477 395 PRO A O    
1101 C  CB   . PRO A 76  ? 0.64064 0.18016 0.54394 0.02570  -0.04848 0.00834  395 PRO A CB   
1102 C  CG   . PRO A 76  ? 0.77350 0.30036 0.65521 0.01484  -0.03575 0.01434  395 PRO A CG   
1103 C  CD   . PRO A 76  ? 0.62087 0.17021 0.50069 0.01126  -0.02655 0.00363  395 PRO A CD   
1104 H  HA   . PRO A 76  ? 0.59328 0.59328 0.59328 0.00000  0.00000  0.00000  395 PRO A HA   
1105 H  HB2  . PRO A 76  ? 0.54651 0.54651 0.54651 -0.00000 -0.00000 -0.00000 395 PRO A HB2  
1106 H  HB3  . PRO A 76  ? 0.54651 0.54651 0.54651 -0.00000 -0.00000 -0.00000 395 PRO A HB3  
1107 H  HG2  . PRO A 76  ? 0.69224 0.69224 0.69224 -0.00000 0.00000  -0.00000 395 PRO A HG2  
1108 H  HG3  . PRO A 76  ? 0.69224 0.69224 0.69224 -0.00000 0.00000  -0.00000 395 PRO A HG3  
1109 H  HD2  . PRO A 76  ? 0.51733 0.51733 0.51733 -0.00000 -0.00000 -0.00000 395 PRO A HD2  
1110 H  HD3  . PRO A 76  ? 0.51733 0.51733 0.51733 -0.00000 -0.00000 -0.00000 395 PRO A HD3  
1111 N  N    . THR A 77  ? 0.65510 0.24910 0.62005 0.04605  -0.06043 -0.02311 396 THR A N    
1112 C  CA   . THR A 77  ? 0.70050 0.31389 0.68548 0.05605  -0.07938 -0.02168 396 THR A CA   
1113 C  C    . THR A 77  ? 0.62893 0.23525 0.63055 0.07110  -0.09924 -0.00788 396 THR A C    
1114 O  O    . THR A 77  ? 0.64561 0.27968 0.66863 0.07508  -0.11788 0.00334  396 THR A O    
1115 C  CB   . THR A 77  ? 0.53085 0.18276 0.54925 0.06416  -0.06949 -0.04316 396 THR A CB   
1116 O  OG1  . THR A 77  ? 0.76447 0.39973 0.79877 0.08056  -0.06281 -0.05924 396 THR A OG1  
1117 C  CG2  . THR A 77  ? 0.70472 0.36813 0.70842 0.04791  -0.05416 -0.05393 396 THR A CG2  
1118 H  H    . THR A 77  ? 0.61031 0.61031 0.61031 0.00000  -0.00000 -0.00000 396 THR A H    
1119 H  HA   . THR A 77  ? 0.68056 0.68056 0.68056 -0.00000 -0.00000 -0.00000 396 THR A HA   
1120 H  HB   . THR A 77  ? 0.50576 0.50576 0.50576 0.00000  0.00000  0.00000  396 THR A HB   
1121 H  HG1  . THR A 77  ? 0.78580 0.78580 0.78580 -0.00000 0.00000  0.00000  396 THR A HG1  
1122 H  HG21 . THR A 77  ? 0.71313 0.71313 0.71313 -0.00000 0.00000  -0.00000 396 THR A HG21 
1123 H  HG22 . THR A 77  ? 0.71313 0.71313 0.71313 -0.00000 0.00000  -0.00000 396 THR A HG22 
1124 H  HG23 . THR A 77  ? 0.71313 0.71313 0.71313 -0.00000 0.00000  -0.00000 396 THR A HG23 
1125 N  N    . LYS A 78  ? 0.61830 0.20052 0.61507 0.07666  -0.09464 -0.00460 397 LYS A N    
1126 C  CA   . LYS A 78  ? 0.86007 0.43426 0.87008 0.09115  -0.11390 0.01114  397 LYS A CA   
1127 C  C    . LYS A 78  ? 0.74624 0.28513 0.72616 0.08291  -0.10941 0.02227  397 LYS A C    
1128 O  O    . LYS A 78  ? 0.72533 0.24714 0.69716 0.07636  -0.09075 0.01397  397 LYS A O    
1129 C  CB   . LYS A 78  ? 1.11760 0.70679 1.17388 0.12074  -0.11458 -0.00062 397 LYS A CB   
1130 C  CG   . LYS A 78  ? 1.29482 0.88696 1.37513 0.14064  -0.13548 0.01854  397 LYS A CG   
1131 C  CD   . LYS A 78  ? 1.24583 0.86095 1.37343 0.17741  -0.13023 0.00429  397 LYS A CD   
1132 C  CE   . LYS A 78  ? 1.27780 0.90779 1.43655 0.20016  -0.15050 0.02695  397 LYS A CE   
1133 N  NZ   . LYS A 78  ? 1.29769 0.87531 1.41905 0.18826  -0.15662 0.04237  397 LYS A NZ   
1134 H  H    . LYS A 78  ? 0.57417 0.57417 0.57417 0.00000  -0.00000 -0.00000 397 LYS A H    
1135 H  HA   . LYS A 78  ? 0.86638 0.86638 0.86638 0.00000  0.00000  0.00000  397 LYS A HA   
1136 H  HB2  . LYS A 78  ? 1.19992 1.19992 1.19992 -0.00000 -0.00000 0.00000  397 LYS A HB2  
1137 H  HB3  . LYS A 78  ? 1.19992 1.19992 1.19992 -0.00000 -0.00000 0.00000  397 LYS A HB3  
1138 H  HG2  . LYS A 78  ? 1.42338 1.42338 1.42338 -0.00000 -0.00000 0.00000  397 LYS A HG2  
1139 H  HG3  . LYS A 78  ? 1.42338 1.42338 1.42338 -0.00000 -0.00000 0.00000  397 LYS A HG3  
1140 H  HD2  . LYS A 78  ? 1.39270 1.39270 1.39270 -0.00000 -0.00000 0.00000  397 LYS A HD2  
1141 H  HD3  . LYS A 78  ? 1.39270 1.39270 1.39270 -0.00000 -0.00000 0.00000  397 LYS A HD3  
1142 H  HE2  . LYS A 78  ? 1.44947 1.44947 1.44947 -0.00000 -0.00000 -0.00000 397 LYS A HE2  
1143 H  HE3  . LYS A 78  ? 1.44947 1.44947 1.44947 -0.00000 -0.00000 -0.00000 397 LYS A HE3  
1144 H  HZ1  . LYS A 78  ? 1.43744 1.43744 1.43744 -0.00000 -0.00000 -0.00000 397 LYS A HZ1  
1145 H  HZ2  . LYS A 78  ? 1.43744 1.43744 1.43744 -0.00000 -0.00000 -0.00000 397 LYS A HZ2  
1146 H  HZ3  . LYS A 78  ? 1.43744 1.43744 1.43744 -0.00000 -0.00000 -0.00000 397 LYS A HZ3  
1147 N  N    . LEU A 79  ? 0.65397 0.56290 0.69142 0.04379  0.02243  -0.06911 398 LEU A N    
1148 C  CA   . LEU A 79  ? 0.40684 0.30848 0.43601 0.07005  0.02106  -0.07547 398 LEU A CA   
1149 C  C    . LEU A 79  ? 0.37356 0.29545 0.42391 0.08385  0.03071  -0.07648 398 LEU A C    
1150 O  O    . LEU A 79  ? 0.61913 0.56190 0.69676 0.07563  0.02738  -0.07355 398 LEU A O    
1151 C  CB   . LEU A 79  ? 0.38301 0.27060 0.40786 0.07845  -0.00635 -0.07851 398 LEU A CB   
1152 C  CG   . LEU A 79  ? 0.49119 0.35729 0.50019 0.06992  -0.01698 -0.07659 398 LEU A CG   
1153 C  CD1  . LEU A 79  ? 0.40048 0.25030 0.40801 0.07872  -0.04147 -0.08190 398 LEU A CD1  
1154 C  CD2  . LEU A 79  ? 0.48523 0.34162 0.47304 0.07685  -0.00214 -0.07757 398 LEU A CD2  
1155 H  H    . LEU A 79  ? 0.76393 0.76393 0.76393 -0.00000 -0.00000 -0.00000 398 LEU A H    
1156 H  HA   . LEU A 79  ? 0.46115 0.46115 0.46115 -0.00000 -0.00000 0.00000  398 LEU A HA   
1157 H  HB2  . LEU A 79  ? 0.42151 0.42151 0.42151 -0.00000 -0.00000 0.00000  398 LEU A HB2  
1158 H  HB3  . LEU A 79  ? 0.42151 0.42151 0.42151 -0.00000 -0.00000 0.00000  398 LEU A HB3  
1159 H  HG   . LEU A 79  ? 0.54008 0.54008 0.54008 -0.00000 0.00000  -0.00000 398 LEU A HG   
1160 H  HD11 . LEU A 79  ? 0.42045 0.42045 0.42045 0.00000  -0.00000 -0.00000 398 LEU A HD11 
1161 H  HD12 . LEU A 79  ? 0.42045 0.42045 0.42045 0.00000  -0.00000 -0.00000 398 LEU A HD12 
1162 H  HD13 . LEU A 79  ? 0.42045 0.42045 0.42045 0.00000  -0.00000 -0.00000 398 LEU A HD13 
1163 H  HD21 . LEU A 79  ? 0.52057 0.52057 0.52057 0.00000  -0.00000 -0.00000 398 LEU A HD21 
1164 H  HD22 . LEU A 79  ? 0.52057 0.52057 0.52057 0.00000  -0.00000 -0.00000 398 LEU A HD22 
1165 H  HD23 . LEU A 79  ? 0.52057 0.52057 0.52057 0.00000  -0.00000 -0.00000 398 LEU A HD23 
1166 N  N    . SER A 80  ? 0.60053 0.51672 0.64056 0.10436  0.04200  -0.07912 399 SER A N    
1167 C  CA   . SER A 80  ? 0.56649 0.50035 0.62728 0.12170  0.05008  -0.07728 399 SER A CA   
1168 C  C    . SER A 80  ? 0.77344 0.70174 0.82472 0.14394  0.03104  -0.07831 399 SER A C    
1169 O  O    . SER A 80  ? 0.70108 0.60752 0.72499 0.14845  0.02306  -0.08232 399 SER A O    
1170 C  CB   . SER A 80  ? 0.38100 0.31101 0.43804 0.12712  0.08185  -0.07765 399 SER A CB   
1171 O  OG   . SER A 80  ? 1.02739 0.96196 1.08817 0.10513  0.10033  -0.07863 399 SER A OG   
1172 H  H    . SER A 80  ? 0.70373 0.70373 0.70373 -0.00000 0.00000  0.00000  399 SER A H    
1173 H  HA   . SER A 80  ? 0.67826 0.67826 0.67826 0.00000  -0.00000 -0.00000 399 SER A HA   
1174 H  HB2  . SER A 80  ? 0.45264 0.45264 0.45264 -0.00000 0.00000  0.00000  399 SER A HB2  
1175 H  HB3  . SER A 80  ? 0.45264 0.45264 0.45264 -0.00000 0.00000  0.00000  399 SER A HB3  
1176 H  HG   . SER A 80  ? 1.23163 1.23163 1.23163 -0.00000 -0.00000 0.00000  399 SER A HG   
1177 N  N    . PRO A 81  ? 0.55751 0.50636 0.63041 0.15784  0.02352  -0.07439 400 PRO A N    
1178 C  CA   . PRO A 81  ? 0.49967 0.44378 0.55775 0.17786  0.00527  -0.07467 400 PRO A CA   
1179 C  C    . PRO A 81  ? 0.43145 0.36437 0.47281 0.20076  0.02242  -0.07046 400 PRO A C    
1180 O  O    . PRO A 81  ? 0.55482 0.48854 0.60558 0.19779  0.04833  -0.06619 400 PRO A O    
1181 C  CB   . PRO A 81  ? 0.68588 0.66297 0.77923 0.17998  -0.01132 -0.06983 400 PRO A CB   
1182 C  CG   . PRO A 81  ? 0.44701 0.44510 0.57498 0.17434  0.01306  -0.06413 400 PRO A CG   
1183 C  CD   . PRO A 81  ? 0.69067 0.67045 0.80390 0.15380  0.03068  -0.06906 400 PRO A CD   
1184 H  HA   . PRO A 81  ? 0.60109 0.60109 0.60109 0.00000  0.00000  -0.00000 400 PRO A HA   
1185 H  HB2  . PRO A 81  ? 0.85185 0.85185 0.85185 0.00000  0.00000  0.00000  400 PRO A HB2  
1186 H  HB3  . PRO A 81  ? 0.85185 0.85185 0.85185 0.00000  0.00000  0.00000  400 PRO A HB3  
1187 H  HG2  . PRO A 81  ? 0.58745 0.58745 0.58745 0.00000  0.00000  0.00000  400 PRO A HG2  
1188 H  HG3  . PRO A 81  ? 0.58745 0.58745 0.58745 0.00000  0.00000  0.00000  400 PRO A HG3  
1189 H  HD2  . PRO A 81  ? 0.86662 0.86662 0.86662 -0.00000 0.00000  0.00000  400 PRO A HD2  
1190 H  HD3  . PRO A 81  ? 0.86662 0.86662 0.86662 -0.00000 0.00000  0.00000  400 PRO A HD3  
1191 N  N    . ILE A 82  ? 0.57207 0.49494 0.58810 0.21130  0.00849  -0.06951 401 ILE A N    
1192 C  CA   . ILE A 82  ? 0.64567 0.56493 0.64979 0.21655  0.02173  -0.05845 401 ILE A CA   
1193 C  C    . ILE A 82  ? 0.53163 0.46182 0.53106 0.23922  -0.00086 -0.05436 401 ILE A C    
1194 O  O    . ILE A 82  ? 0.62851 0.57074 0.63728 0.24716  -0.02756 -0.06195 401 ILE A O    
1195 C  CB   . ILE A 82  ? 0.68538 0.58435 0.65936 0.20371  0.03022  -0.05900 401 ILE A CB   
1196 C  CG1  . ILE A 82  ? 0.82675 0.71475 0.77252 0.20774  0.00936  -0.06601 401 ILE A CG1  
1197 C  CG2  . ILE A 82  ? 0.84182 0.73587 0.82282 0.18197  0.04700  -0.06289 401 ILE A CG2  
1198 C  CD1  . ILE A 82  ? 0.81450 0.68911 0.73622 0.19900  0.01772  -0.06465 401 ILE A CD1  
1199 H  H    . ILE A 82  ? 0.66266 0.66266 0.66266 0.00000  0.00000  -0.00000 401 ILE A H    
1200 H  HA   . ILE A 82  ? 0.74477 0.74477 0.74477 -0.00000 0.00000  0.00000  401 ILE A HA   
1201 H  HB   . ILE A 82  ? 0.77225 0.77225 0.77225 -0.00000 -0.00000 0.00000  401 ILE A HB   
1202 H  HG12 . ILE A 82  ? 0.92622 0.92622 0.92622 -0.00000 -0.00000 0.00000  401 ILE A HG12 
1203 H  HG13 . ILE A 82  ? 0.92622 0.92622 0.92622 -0.00000 -0.00000 0.00000  401 ILE A HG13 
1204 H  HG21 . ILE A 82  ? 0.96082 0.96082 0.96082 -0.00000 0.00000  0.00000  401 ILE A HG21 
1205 H  HG22 . ILE A 82  ? 0.96082 0.96082 0.96082 -0.00000 0.00000  0.00000  401 ILE A HG22 
1206 H  HG23 . ILE A 82  ? 0.96082 0.96082 0.96082 -0.00000 0.00000  0.00000  401 ILE A HG23 
1207 H  HD11 . ILE A 82  ? 0.89655 0.89655 0.89655 -0.00000 -0.00000 -0.00000 401 ILE A HD11 
1208 H  HD12 . ILE A 82  ? 0.89655 0.89655 0.89655 -0.00000 -0.00000 -0.00000 401 ILE A HD12 
1209 H  HD13 . ILE A 82  ? 0.89655 0.89655 0.89655 -0.00000 -0.00000 -0.00000 401 ILE A HD13 
1210 N  N    . SER A 83  ? 0.57588 0.50330 0.56381 0.24886  0.00688  -0.04333 402 SER A N    
1211 C  CA   . SER A 83  ? 0.73753 0.67436 0.71408 0.27171  -0.01485 -0.03715 402 SER A CA   
1212 C  C    . SER A 83  ? 0.62179 0.53446 0.54876 0.27535  -0.01579 -0.03855 402 SER A C    
1213 O  O    . SER A 83  ? 0.72182 0.61918 0.63641 0.26552  0.00694  -0.03397 402 SER A O    
1214 C  CB   . SER A 83  ? 0.50727 0.46236 0.51244 0.28435  -0.00618 -0.02019 402 SER A CB   
1215 O  OG   . SER A 83  ? 0.77620 0.75806 0.83103 0.28288  -0.00458 -0.01898 402 SER A OG   
1216 H  H    . SER A 83  ? 0.65781 0.65781 0.65781 -0.00000 -0.00000 0.00000  402 SER A H    
1217 H  HA   . SER A 83  ? 0.85100 0.85100 0.85100 -0.00000 -0.00000 0.00000  402 SER A HA   
1218 H  HB2  . SER A 83  ? 0.59344 0.59344 0.59344 0.00000  -0.00000 -0.00000 402 SER A HB2  
1219 H  HB3  . SER A 83  ? 0.59344 0.59344 0.59344 0.00000  -0.00000 -0.00000 402 SER A HB3  
1220 H  HG   . SER A 83  ? 0.94673 0.94673 0.94673 -0.00000 0.00000  -0.00000 402 SER A HG   
1221 N  N    . VAL A 84  ? 0.59202 0.50233 0.49191 0.28918  -0.04346 -0.04623 403 VAL A N    
1222 C  CA   . VAL A 84  ? 0.72688 0.61355 0.57590 0.29606  -0.04455 -0.04989 403 VAL A CA   
1223 C  C    . VAL A 84  ? 0.69354 0.58738 0.51910 0.32303  -0.07003 -0.04409 403 VAL A C    
1224 O  O    . VAL A 84  ? 0.74427 0.66435 0.59214 0.32783  -0.09766 -0.04281 403 VAL A O    
1225 C  CB   . VAL A 84  ? 0.84748 0.71594 0.67659 0.28397  -0.05248 -0.06903 403 VAL A CB   
1226 C  CG1  . VAL A 84  ? 0.83604 0.70117 0.68628 0.25621  -0.02877 -0.06858 403 VAL A CG1  
1227 C  CG2  . VAL A 84  ? 0.95974 0.83647 0.80088 0.28770  -0.08529 -0.08324 403 VAL A CG2  
1228 H  H    . VAL A 84  ? 0.63511 0.63511 0.63511 0.00000  0.00000  -0.00000 403 VAL A H    
1229 H  HA   . VAL A 84  ? 0.76715 0.76715 0.76715 -0.00000 0.00000  0.00000  403 VAL A HA   
1230 H  HB   . VAL A 84  ? 0.89662 0.89662 0.89662 -0.00000 0.00000  0.00000  403 VAL A HB   
1231 H  HG11 . VAL A 84  ? 0.89001 0.89001 0.89001 0.00000  0.00000  -0.00000 403 VAL A HG11 
1232 H  HG12 . VAL A 84  ? 0.89001 0.89001 0.89001 0.00000  0.00000  -0.00000 403 VAL A HG12 
1233 H  HG13 . VAL A 84  ? 0.89001 0.89001 0.89001 0.00000  0.00000  -0.00000 403 VAL A HG13 
1234 H  HG21 . VAL A 84  ? 1.03945 1.03945 1.03945 -0.00000 0.00000  -0.00000 403 VAL A HG21 
1235 H  HG22 . VAL A 84  ? 1.03945 1.03945 1.03945 -0.00000 0.00000  -0.00000 403 VAL A HG22 
1236 H  HG23 . VAL A 84  ? 1.03945 1.03945 1.03945 -0.00000 0.00000  -0.00000 403 VAL A HG23 
1237 N  N    . LEU A 85  ? 0.76795 0.64299 0.54956 0.33495  -0.06181 -0.03830 404 LEU A N    
1238 C  CA   . LEU A 85  ? 0.79588 0.67381 0.54211 0.35997  -0.08654 -0.03066 404 LEU A CA   
1239 C  C    . LEU A 85  ? 0.92072 0.77579 0.61437 0.35567  -0.09773 -0.05003 404 LEU A C    
1240 O  O    . LEU A 85  ? 0.93343 0.75952 0.59339 0.36027  -0.07549 -0.05435 404 LEU A O    
1241 C  CB   . LEU A 85  ? 0.76967 0.64270 0.50237 0.37098  -0.06592 -0.00848 404 LEU A CB   
1242 C  CG   . LEU A 85  ? 0.92264 0.80068 0.61576 0.39298  -0.08993 0.00507  404 LEU A CG   
1243 C  CD1  . LEU A 85  ? 0.88205 0.80118 0.60994 0.39308  -0.12403 0.01274  404 LEU A CD1  
1244 C  CD2  . LEU A 85  ? 0.80579 0.67171 0.48499 0.40300  -0.06422 0.02689  404 LEU A CD2  
1245 H  H    . LEU A 85  ? 0.78481 0.78481 0.78481 -0.00000 0.00000  0.00000  404 LEU A H    
1246 H  HA   . LEU A 85  ? 0.80534 0.80534 0.80534 -0.00000 0.00000  -0.00000 404 LEU A HA   
1247 H  HB2  . LEU A 85  ? 0.76651 0.76651 0.76651 -0.00000 -0.00000 -0.00000 404 LEU A HB2  
1248 H  HB3  . LEU A 85  ? 0.76651 0.76651 0.76651 -0.00000 -0.00000 -0.00000 404 LEU A HB3  
1249 H  HG   . LEU A 85  ? 0.93625 0.93625 0.93625 -0.00000 0.00000  -0.00000 404 LEU A HG   
1250 H  HD11 . LEU A 85  ? 0.91788 0.91788 0.91788 0.00000  0.00000  -0.00000 404 LEU A HD11 
1251 H  HD12 . LEU A 85  ? 0.91788 0.91788 0.91788 0.00000  0.00000  -0.00000 404 LEU A HD12 
1252 H  HD13 . LEU A 85  ? 0.91788 0.91788 0.91788 0.00000  0.00000  -0.00000 404 LEU A HD13 
1253 H  HD21 . LEU A 85  ? 0.78561 0.78561 0.78561 -0.00000 -0.00000 0.00000  404 LEU A HD21 
1254 H  HD22 . LEU A 85  ? 0.78561 0.78561 0.78561 -0.00000 -0.00000 0.00000  404 LEU A HD22 
1255 H  HD23 . LEU A 85  ? 0.78561 0.78561 0.78561 -0.00000 -0.00000 0.00000  404 LEU A HD23 
1256 N  N    . TYR A 86  ? 0.83943 0.70782 0.53116 0.34406  -0.12990 -0.06330 405 TYR A N    
1257 C  CA   . TYR A 86  ? 0.94202 0.78601 0.58757 0.33652  -0.13962 -0.08637 405 TYR A CA   
1258 C  C    . TYR A 86  ? 0.93973 0.78717 0.53569 0.34328  -0.16663 -0.08692 405 TYR A C    
1259 O  O    . TYR A 86  ? 0.91783 0.79456 0.52457 0.35000  -0.18708 -0.06993 405 TYR A O    
1260 C  CB   . TYR A 86  ? 1.10680 0.95426 0.78171 0.31429  -0.15491 -0.10604 405 TYR A CB   
1261 C  CG   . TYR A 86  ? 0.90303 0.78378 0.60675 0.30340  -0.18902 -0.10559 405 TYR A CG   
1262 C  CD1  . TYR A 86  ? 1.01594 0.92863 0.77933 0.29915  -0.18891 -0.09178 405 TYR A CD1  
1263 C  CD2  . TYR A 86  ? 0.81871 0.69923 0.49149 0.29547  -0.22040 -0.12070 405 TYR A CD2  
1264 C  CE1  . TYR A 86  ? 1.16384 1.11133 0.95982 0.28828  -0.21915 -0.09080 405 TYR A CE1  
1265 C  CE2  . TYR A 86  ? 1.12468 1.03849 0.82713 0.28289  -0.25306 -0.12074 405 TYR A CE2  
1266 C  CZ   . TYR A 86  ? 1.04497 0.99410 0.81173 0.27945  -0.25242 -0.10495 405 TYR A CZ   
1267 O  OH   . TYR A 86  ? 1.32359 1.30983 1.12549 0.26630  -0.28376 -0.10432 405 TYR A OH   
1268 H  H    . TYR A 86  ? 0.83198 0.83198 0.83198 -0.00000 -0.00000 -0.00000 405 TYR A H    
1269 H  HA   . TYR A 86  ? 0.92685 0.92685 0.92685 -0.00000 -0.00000 -0.00000 405 TYR A HA   
1270 H  HB2  . TYR A 86  ? 1.13772 1.13772 1.13772 0.00000  0.00000  -0.00000 405 TYR A HB2  
1271 H  HB3  . TYR A 86  ? 1.13772 1.13772 1.13772 0.00000  0.00000  -0.00000 405 TYR A HB3  
1272 H  HD1  . TYR A 86  ? 1.09017 1.09017 1.09017 -0.00000 0.00000  0.00000  405 TYR A HD1  
1273 H  HD2  . TYR A 86  ? 0.80439 0.80439 0.80439 -0.00000 0.00000  0.00000  405 TYR A HD2  
1274 H  HE1  . TYR A 86  ? 1.29461 1.29461 1.29461 -0.00000 0.00000  0.00000  405 TYR A HE1  
1275 H  HE2  . TYR A 86  ? 1.19674 1.19674 1.19674 -0.00000 -0.00000 0.00000  405 TYR A HE2  
1276 H  HH   . TYR A 86  ? 1.50418 1.50418 1.50418 0.00000  -0.00000 -0.00000 405 TYR A HH   
1277 N  N    . LYS A 87  ? 1.54752 1.36640 1.09135 0.34075  -0.16712 -0.10699 406 LYS A N    
1278 C  CA   . LYS A 87  ? 1.46848 1.28572 0.95357 0.34460  -0.19189 -0.11174 406 LYS A CA   
1279 C  C    . LYS A 87  ? 1.54551 1.37972 1.04130 0.32573  -0.23053 -0.12868 406 LYS A C    
1280 O  O    . LYS A 87  ? 1.42084 1.23894 0.92878 0.30981  -0.23085 -0.15176 406 LYS A O    
1281 C  CB   . LYS A 87  ? 1.80267 1.58067 1.22510 0.34984  -0.17229 -0.12775 406 LYS A CB   
1282 C  CG   . LYS A 87  ? 1.49578 1.25827 0.89997 0.36764  -0.13624 -0.11003 406 LYS A CG   
1283 C  CD   . LYS A 87  ? 1.59679 1.33047 0.96836 0.36463  -0.11260 -0.12051 406 LYS A CD   
1284 C  CE   . LYS A 87  ? 1.74668 1.46926 1.11038 0.37736  -0.07772 -0.10003 406 LYS A CE   
1285 N  NZ   . LYS A 87  ? 1.81354 1.51842 1.16405 0.36727  -0.05659 -0.10564 406 LYS A NZ   
1286 H  H    . LYS A 87  ? 1.60272 1.60272 1.60272 -0.00000 -0.00000 -0.00000 406 LYS A H    
1287 H  HA   . LYS A 87  ? 1.48372 1.48372 1.48372 0.00000  -0.00000 0.00000  406 LYS A HA   
1288 H  HB2  . LYS A 87  ? 1.84399 1.84399 1.84399 -0.00000 -0.00000 0.00000  406 LYS A HB2  
1289 H  HB3  . LYS A 87  ? 1.84399 1.84399 1.84399 -0.00000 -0.00000 0.00000  406 LYS A HB3  
1290 H  HG2  . LYS A 87  ? 1.46222 1.46222 1.46222 0.00000  -0.00000 -0.00000 406 LYS A HG2  
1291 H  HG3  . LYS A 87  ? 1.46222 1.46222 1.46222 0.00000  -0.00000 -0.00000 406 LYS A HG3  
1292 H  HD2  . LYS A 87  ? 1.55886 1.55886 1.55886 -0.00000 -0.00000 0.00000  406 LYS A HD2  
1293 H  HD3  . LYS A 87  ? 1.55886 1.55886 1.55886 -0.00000 -0.00000 0.00000  406 LYS A HD3  
1294 H  HE2  . LYS A 87  ? 1.73114 1.73114 1.73114 0.00000  -0.00000 -0.00000 406 LYS A HE2  
1295 H  HE3  . LYS A 87  ? 1.73114 1.73114 1.73114 0.00000  -0.00000 -0.00000 406 LYS A HE3  
1296 H  HZ1  . LYS A 87  ? 1.79902 1.79902 1.79902 0.00000  -0.00000 -0.00000 406 LYS A HZ1  
1297 H  HZ2  . LYS A 87  ? 1.79902 1.79902 1.79902 0.00000  -0.00000 -0.00000 406 LYS A HZ2  
1298 H  HZ3  . LYS A 87  ? 1.79902 1.79902 1.79902 0.00000  -0.00000 -0.00000 406 LYS A HZ3  
1299 N  N    . ASP A 88  ? 1.65537 1.52088 1.14758 0.32722  -0.26243 -0.11667 407 ASP A N    
1300 C  CA   . ASP A 88  ? 1.73349 1.61750 1.23408 0.30677  -0.30203 -0.13349 407 ASP A CA   
1301 C  C    . ASP A 88  ? 2.07211 1.92317 1.51780 0.29337  -0.30277 -0.15944 407 ASP A C    
1302 O  O    . ASP A 88  ? 2.05195 1.87408 1.45227 0.30441  -0.27721 -0.15997 407 ASP A O    
1303 C  CB   . ASP A 88  ? 1.83372 1.76644 1.36341 0.30676  -0.33069 -0.11088 407 ASP A CB   
1304 C  CG   . ASP A 88  ? 1.86730 1.82913 1.44114 0.28178  -0.36286 -0.12261 407 ASP A CG   
1305 O  OD1  . ASP A 88  ? 1.86148 1.80448 1.44829 0.26610  -0.36183 -0.14615 407 ASP A OD1  
1306 O  OD2  . ASP A 88  ? 1.67426 1.67748 1.27093 0.27712  -0.38795 -0.10702 407 ASP A OD2  
1307 H  H    . ASP A 88  ? 1.73015 1.73015 1.73015 -0.00000 -0.00000 0.00000  407 ASP A H    
1308 H  HA   . ASP A 88  ? 1.83464 1.83464 1.83464 -0.00000 -0.00000 -0.00000 407 ASP A HA   
1309 H  HB2  . ASP A 88  ? 1.98604 1.98604 1.98604 -0.00000 -0.00000 0.00000  407 ASP A HB2  
1310 H  HB3  . ASP A 88  ? 1.98604 1.98604 1.98604 -0.00000 -0.00000 0.00000  407 ASP A HB3  
1311 N  N    . ASP A 89  ? 2.09961 1.95605 1.55435 0.26902  -0.32832 -0.17859 408 ASP A N    
1312 C  CA   . ASP A 89  ? 1.91615 1.74075 1.32397 0.25426  -0.32661 -0.20325 408 ASP A CA   
1313 C  C    . ASP A 89  ? 1.65488 1.48384 1.00656 0.26032  -0.33162 -0.19333 408 ASP A C    
1314 O  O    . ASP A 89  ? 1.86420 1.66474 1.16908 0.25268  -0.32237 -0.21091 408 ASP A O    
1315 C  CB   . ASP A 89  ? 1.93124 1.76019 1.36265 0.22554  -0.35222 -0.22440 408 ASP A CB   
1316 C  CG   . ASP A 89  ? 1.93023 1.74085 1.40562 0.21770  -0.34013 -0.23729 408 ASP A CG   
1317 O  OD1  . ASP A 89  ? 1.41473 1.21254 0.90177 0.23417  -0.31345 -0.22996 408 ASP A OD1  
1318 O  OD2  . ASP A 89  ? 1.83385 1.64300 1.33121 0.19394  -0.35690 -0.25353 408 ASP A OD2  
1319 H  H    . ASP A 89  ? 2.24462 2.24462 2.24462 0.00000  0.00000  0.00000  408 ASP A H    
1320 H  HA   . ASP A 89  ? 1.99296 1.99296 1.99296 -0.00000 -0.00000 0.00000  408 ASP A HA   
1321 H  HB2  . ASP A 89  ? 2.02224 2.02224 2.02224 -0.00000 0.00000  -0.00000 408 ASP A HB2  
1322 H  HB3  . ASP A 89  ? 2.02224 2.02224 2.02224 -0.00000 0.00000  -0.00000 408 ASP A HB3  
1323 N  N    . MET A 90  ? 1.91999 1.78346 1.27831 0.27324  -0.34406 -0.16481 409 MET A N    
1324 C  CA   . MET A 90  ? 2.20427 2.07094 1.50849 0.27927  -0.34776 -0.15183 409 MET A CA   
1325 C  C    . MET A 90  ? 2.29688 2.15583 1.58746 0.30697  -0.31918 -0.12599 409 MET A C    
1326 O  O    . MET A 90  ? 1.93749 1.80979 1.19984 0.31556  -0.32504 -0.10391 409 MET A O    
1327 C  CB   . MET A 90  ? 2.38438 2.29802 1.70249 0.26822  -0.38807 -0.13725 409 MET A CB   
1328 C  CG   . MET A 90  ? 2.55070 2.46932 1.86663 0.23727  -0.41614 -0.16362 409 MET A CG   
1329 S  SD   . MET A 90  ? 2.89464 2.87303 2.22353 0.22238  -0.46371 -0.14452 409 MET A SD   
1330 C  CE   . MET A 90  ? 2.45018 2.42351 1.77858 0.18385  -0.48754 -0.18203 409 MET A CE   
1331 H  H    . MET A 90  ? 1.99332 1.99332 1.99332 -0.00000 -0.00000 0.00000  409 MET A H    
1332 H  HA   . MET A 90  ? 2.31409 2.31409 2.31409 -0.00000 -0.00000 -0.00000 409 MET A HA   
1333 H  HB2  . MET A 90  ? 2.55457 2.55457 2.55457 0.00000  -0.00000 0.00000  409 MET A HB2  
1334 H  HB3  . MET A 90  ? 2.55457 2.55457 2.55457 0.00000  -0.00000 0.00000  409 MET A HB3  
1335 H  HG2  . MET A 90  ? 2.75528 2.75528 2.75528 0.00000  -0.00000 -0.00000 409 MET A HG2  
1336 H  HG3  . MET A 90  ? 2.75528 2.75528 2.75528 0.00000  -0.00000 -0.00000 409 MET A HG3  
1337 H  HE1  . MET A 90  ? 2.66152 2.66152 2.66152 -0.00000 -0.00000 0.00000  409 MET A HE1  
1338 H  HE2  . MET A 90  ? 2.66152 2.66152 2.66152 -0.00000 -0.00000 0.00000  409 MET A HE2  
1339 H  HE3  . MET A 90  ? 2.66152 2.66152 2.66152 -0.00000 -0.00000 0.00000  409 MET A HE3  
1340 N  N    . GLY A 91  ? 2.11951 1.95706 1.43006 0.31962  -0.28821 -0.12730 410 GLY A N    
1341 C  CA   . GLY A 91  ? 2.01244 1.83898 1.31117 0.34344  -0.25752 -0.10453 410 GLY A CA   
1342 C  C    . GLY A 91  ? 2.04529 1.90442 1.38450 0.35927  -0.26273 -0.07112 410 GLY A C    
1343 O  O    . GLY A 91  ? 2.03920 1.89106 1.36420 0.37758  -0.24083 -0.04783 410 GLY A O    
1344 H  H    . GLY A 91  ? 2.20327 2.20327 2.20327 0.00000  0.00000  -0.00000 410 GLY A H    
1345 H  HA2  . GLY A 91  ? 2.06565 2.06565 2.06565 -0.00000 0.00000  -0.00000 410 GLY A HA2  
1346 H  HA3  . GLY A 91  ? 2.06565 2.06565 2.06565 -0.00000 0.00000  -0.00000 410 GLY A HA3  
1347 N  N    . VAL A 92  ? 1.96994 1.86476 1.36512 0.35167  -0.28828 -0.06717 411 VAL A N    
1348 C  CA   . VAL A 92  ? 1.92714 1.85696 1.37512 0.36485  -0.29094 -0.03502 411 VAL A CA   
1349 C  C    . VAL A 92  ? 1.82150 1.74369 1.31625 0.37355  -0.26460 -0.03354 411 VAL A C    
1350 O  O    . VAL A 92  ? 1.64387 1.56370 1.16277 0.36083  -0.26986 -0.05497 411 VAL A O    
1351 C  CB   . VAL A 92  ? 1.76130 1.73920 1.25204 0.35057  -0.33037 -0.02943 411 VAL A CB   
1352 C  CG1  . VAL A 92  ? 1.85850 1.87202 1.41424 0.36454  -0.32684 0.00335  411 VAL A CG1  
1353 C  CG2  . VAL A 92  ? 1.88475 1.87085 1.32552 0.34057  -0.35686 -0.02890 411 VAL A CG2  
1354 H  H    . VAL A 92  ? 2.08054 2.08054 2.08054 -0.00000 0.00000  -0.00000 411 VAL A H    
1355 H  HA   . VAL A 92  ? 2.06430 2.06430 2.06430 -0.00000 -0.00000 -0.00000 411 VAL A HA   
1356 H  HB   . VAL A 92  ? 1.90163 1.90163 1.90163 -0.00000 -0.00000 0.00000  411 VAL A HB   
1357 H  HG11 . VAL A 92  ? 2.05852 2.05852 2.05852 -0.00000 -0.00000 -0.00000 411 VAL A HG11 
1358 H  HG12 . VAL A 92  ? 2.05852 2.05852 2.05852 -0.00000 -0.00000 -0.00000 411 VAL A HG12 
1359 H  HG13 . VAL A 92  ? 2.05852 2.05852 2.05852 -0.00000 -0.00000 -0.00000 411 VAL A HG13 
1360 H  HG21 . VAL A 92  ? 2.03306 2.03306 2.03306 0.00000  0.00000  0.00000  411 VAL A HG21 
1361 H  HG22 . VAL A 92  ? 2.03306 2.03306 2.03306 0.00000  0.00000  0.00000  411 VAL A HG22 
1362 H  HG23 . VAL A 92  ? 2.03306 2.03306 2.03306 0.00000  0.00000  0.00000  411 VAL A HG23 
1363 N  N    . PRO A 93  ? 1.58103 1.49770 1.09034 0.39254  -0.23549 -0.00914 412 PRO A N    
1364 C  CA   . PRO A 93  ? 1.53061 1.44263 1.09124 0.39683  -0.20878 -0.00682 412 PRO A CA   
1365 C  C    . PRO A 93  ? 1.22265 1.17588 0.85863 0.38840  -0.22528 -0.00190 412 PRO A C    
1366 O  O    . PRO A 93  ? 1.14962 1.13415 0.82190 0.39334  -0.23144 0.02133  412 PRO A O    
1367 C  CB   . PRO A 93  ? 1.62878 1.52637 1.18625 0.41483  -0.17481 0.01886  412 PRO A CB   
1368 C  CG   . PRO A 93  ? 1.54680 1.42823 1.03417 0.42104  -0.17906 0.02370  412 PRO A CG   
1369 C  CD   . PRO A 93  ? 1.67171 1.57951 1.14719 0.40781  -0.22147 0.01507  412 PRO A CD   
1370 H  HA   . PRO A 93  ? 1.62640 1.62640 1.62640 -0.00000 -0.00000 -0.00000 412 PRO A HA   
1371 H  HB2  . PRO A 93  ? 1.73717 1.73717 1.73717 0.00000  -0.00000 0.00000  412 PRO A HB2  
1372 H  HB3  . PRO A 93  ? 1.73717 1.73717 1.73717 0.00000  -0.00000 0.00000  412 PRO A HB3  
1373 H  HG2  . PRO A 93  ? 1.60430 1.60430 1.60430 -0.00000 -0.00000 0.00000  412 PRO A HG2  
1374 H  HG3  . PRO A 93  ? 1.60430 1.60430 1.60430 -0.00000 -0.00000 0.00000  412 PRO A HG3  
1375 H  HD2  . PRO A 93  ? 1.75998 1.75998 1.75998 0.00000  -0.00000 0.00000  412 PRO A HD2  
1376 H  HD3  . PRO A 93  ? 1.75998 1.75998 1.75998 0.00000  -0.00000 0.00000  412 PRO A HD3  
1377 N  N    . THR A 94  ? 1.08688 1.04036 0.75450 0.36783  -0.22559 -0.02419 413 THR A N    
1378 C  CA   . THR A 94  ? 1.35011 1.34131 1.08832 0.35662  -0.23853 -0.02206 413 THR A CA   
1379 C  C    . THR A 94  ? 0.92360 0.90473 0.70666 0.35206  -0.20306 -0.02351 413 THR A C    
1380 O  O    . THR A 94  ? 1.14166 1.08840 0.90375 0.34535  -0.18059 -0.03866 413 THR A O    
1381 C  CB   . THR A 94  ? 1.25216 1.25412 0.99100 0.33225  -0.27149 -0.04599 413 THR A CB   
1382 O  OG1  . THR A 94  ? 1.60609 1.61127 1.29158 0.33429  -0.30312 -0.04865 413 THR A OG1  
1383 C  CG2  . THR A 94  ? 1.29210 1.33914 1.10482 0.32099  -0.28698 -0.04012 413 THR A CG2  
1384 H  H    . THR A 94  ? 1.15331 1.15331 1.15331 -0.00000 -0.00000 -0.00000 413 THR A H    
1385 H  HA   . THR A 94  ? 1.51251 1.51251 1.51251 0.00000  -0.00000 -0.00000 413 THR A HA   
1386 H  HB   . THR A 94  ? 1.39952 1.39952 1.39952 -0.00000 0.00000  0.00000  413 THR A HB   
1387 H  HG1  . THR A 94  ? 1.80419 1.80419 1.80419 -0.00000 -0.00000 -0.00000 413 THR A HG1  
1388 H  HG21 . THR A 94  ? 1.49504 1.49504 1.49504 0.00000  -0.00000 -0.00000 413 THR A HG21 
1389 H  HG22 . THR A 94  ? 1.49504 1.49504 1.49504 0.00000  -0.00000 -0.00000 413 THR A HG22 
1390 H  HG23 . THR A 94  ? 1.49504 1.49504 1.49504 0.00000  -0.00000 -0.00000 413 THR A HG23 
1391 N  N    . LEU A 95  ? 0.88823 0.90066 0.73311 0.35574  -0.19801 -0.00766 414 LEU A N    
1392 C  CA   . LEU A 95  ? 0.78894 0.79431 0.67507 0.35073  -0.16438 -0.00837 414 LEU A CA   
1393 C  C    . LEU A 95  ? 0.73409 0.75366 0.65737 0.32477  -0.17405 -0.02570 414 LEU A C    
1394 O  O    . LEU A 95  ? 0.86119 0.91828 0.82069 0.31681  -0.20001 -0.02365 414 LEU A O    
1395 C  CB   . LEU A 95  ? 0.79690 0.82377 0.72954 0.36255  -0.14598 0.01588  414 LEU A CB   
1396 C  CG   . LEU A 95  ? 0.70892 0.73037 0.68402 0.35124  -0.11022 0.01360  414 LEU A CG   
1397 C  CD1  . LEU A 95  ? 0.62446 0.60191 0.56284 0.34386  -0.07729 0.00542  414 LEU A CD1  
1398 C  CD2  . LEU A 95  ? 0.88352 0.92786 0.90985 0.35721  -0.09432 0.03462  414 LEU A CD2  
1399 H  H    . LEU A 95  ? 1.00941 1.00941 1.00941 -0.00000 -0.00000 -0.00000 414 LEU A H    
1400 H  HA   . LEU A 95  ? 0.90394 0.90394 0.90394 0.00000  -0.00000 -0.00000 414 LEU A HA   
1401 H  HB2  . LEU A 95  ? 0.94070 0.94070 0.94070 -0.00000 -0.00000 -0.00000 414 LEU A HB2  
1402 H  HB3  . LEU A 95  ? 0.94070 0.94070 0.94070 -0.00000 -0.00000 -0.00000 414 LEU A HB3  
1403 H  HG   . LEU A 95  ? 0.84994 0.84994 0.84994 -0.00000 -0.00000 0.00000  414 LEU A HG   
1404 H  HD11 . LEU A 95  ? 0.71630 0.71630 0.71630 -0.00000 -0.00000 0.00000  414 LEU A HD11 
1405 H  HD12 . LEU A 95  ? 0.71630 0.71630 0.71630 -0.00000 -0.00000 0.00000  414 LEU A HD12 
1406 H  HD13 . LEU A 95  ? 0.71630 0.71630 0.71630 -0.00000 -0.00000 0.00000  414 LEU A HD13 
1407 H  HD21 . LEU A 95  ? 1.08911 1.08911 1.08911 -0.00000 0.00000  -0.00000 414 LEU A HD21 
1408 H  HD22 . LEU A 95  ? 1.08911 1.08911 1.08911 -0.00000 0.00000  -0.00000 414 LEU A HD22 
1409 H  HD23 . LEU A 95  ? 1.08911 1.08911 1.08911 -0.00000 0.00000  -0.00000 414 LEU A HD23 
1410 N  N    . LYS A 96  ? 0.72421 0.71492 0.63968 0.31113  -0.15373 -0.04128 415 LYS A N    
1411 C  CA   . LYS A 96  ? 0.98206 0.98121 0.93380 0.28699  -0.15576 -0.05387 415 LYS A CA   
1412 C  C    . LYS A 96  ? 0.60230 0.60918 0.59689 0.28741  -0.12423 -0.04405 415 LYS A C    
1413 O  O    . LYS A 96  ? 0.63092 0.60995 0.61149 0.28744  -0.09579 -0.04693 415 LYS A O    
1414 C  CB   . LYS A 96  ? 0.59264 0.55581 0.51012 0.27251  -0.15444 -0.07489 415 LYS A CB   
1415 C  CG   . LYS A 96  ? 0.79489 0.76073 0.74562 0.24767  -0.15486 -0.08540 415 LYS A CG   
1416 C  CD   . LYS A 96  ? 0.76946 0.77389 0.76473 0.23388  -0.17929 -0.08359 415 LYS A CD   
1417 C  CE   . LYS A 96  ? 0.73845 0.73516 0.74656 0.20715  -0.19030 -0.09855 415 LYS A CE   
1418 N  NZ   . LYS A 96  ? 0.87477 0.91018 0.92788 0.19153  -0.21384 -0.09684 415 LYS A NZ   
1419 H  H    . LYS A 96  ? 0.83214 0.83214 0.83214 -0.00000 0.00000  0.00000  415 LYS A H    
1420 H  HA   . LYS A 96  ? 1.15944 1.15944 1.15944 0.00000  -0.00000 -0.00000 415 LYS A HA   
1421 H  HB2  . LYS A 96  ? 0.66404 0.66404 0.66404 0.00000  0.00000  -0.00000 415 LYS A HB2  
1422 H  HB3  . LYS A 96  ? 0.66404 0.66404 0.66404 0.00000  0.00000  -0.00000 415 LYS A HB3  
1423 H  HG2  . LYS A 96  ? 0.92111 0.92111 0.92111 -0.00000 0.00000  -0.00000 415 LYS A HG2  
1424 H  HG3  . LYS A 96  ? 0.92111 0.92111 0.92111 -0.00000 0.00000  -0.00000 415 LYS A HG3  
1425 H  HD2  . LYS A 96  ? 0.92385 0.92385 0.92385 -0.00000 -0.00000 0.00000  415 LYS A HD2  
1426 H  HD3  . LYS A 96  ? 0.92385 0.92385 0.92385 -0.00000 -0.00000 0.00000  415 LYS A HD3  
1427 H  HE2  . LYS A 96  ? 0.88868 0.88868 0.88868 0.00000  0.00000  -0.00000 415 LYS A HE2  
1428 H  HE3  . LYS A 96  ? 0.88868 0.88868 0.88868 0.00000  0.00000  -0.00000 415 LYS A HE3  
1429 H  HZ1  . LYS A 96  ? 1.08574 1.08574 1.08574 -0.00000 -0.00000 0.00000  415 LYS A HZ1  
1430 H  HZ2  . LYS A 96  ? 1.08574 1.08574 1.08574 -0.00000 -0.00000 0.00000  415 LYS A HZ2  
1431 H  HZ3  . LYS A 96  ? 1.08574 1.08574 1.08574 -0.00000 -0.00000 0.00000  415 LYS A HZ3  
1432 N  N    . TYR A 97  ? 0.53560 0.58160 0.58312 0.28711  -0.12897 -0.03316 416 TYR A N    
1433 C  CA   . TYR A 97  ? 0.62062 0.67460 0.70687 0.29206  -0.09676 -0.02285 416 TYR A CA   
1434 C  C    . TYR A 97  ? 0.48059 0.51915 0.57522 0.27000  -0.07584 -0.03527 416 TYR A C    
1435 O  O    . TYR A 97  ? 0.73302 0.75428 0.82729 0.27274  -0.04352 -0.03343 416 TYR A O    
1436 C  CB   . TYR A 97  ? 0.68876 0.79132 0.83394 0.29745  -0.10649 -0.00893 416 TYR A CB   
1437 C  CG   . TYR A 97  ? 0.52909 0.63905 0.71391 0.30761  -0.07118 0.00220  416 TYR A CG   
1438 C  CD1  . TYR A 97  ? 0.55187 0.63598 0.71800 0.32001  -0.04538 0.01331  416 TYR A CD1  
1439 C  CD2  . TYR A 97  ? 0.52335 0.66147 0.76211 0.29385  -0.06041 0.00110  416 TYR A CD2  
1440 C  CE1  . TYR A 97  ? 0.53431 0.61720 0.73398 0.31757  -0.01256 0.01967  416 TYR A CE1  
1441 C  CE2  . TYR A 97  ? 0.46578 0.60824 0.73856 0.30314  -0.02539 0.00873  416 TYR A CE2  
1442 C  CZ   . TYR A 97  ? 0.47493 0.58613 0.72653 0.31178  -0.00237 0.01659  416 TYR A CZ   
1443 O  OH   . TYR A 97  ? 0.48889 0.59576 0.76739 0.30828  0.02891  0.01721  416 TYR A OH   
1444 H  H    . TYR A 97  ? 0.68074 0.68074 0.68074 -0.00000 0.00000  0.00000  416 TYR A H    
1445 H  HA   . TYR A 97  ? 0.80145 0.80145 0.80145 -0.00000 -0.00000 0.00000  416 TYR A HA   
1446 H  HB2  . TYR A 97  ? 0.92622 0.92622 0.92622 -0.00000 -0.00000 0.00000  416 TYR A HB2  
1447 H  HB3  . TYR A 97  ? 0.92622 0.92622 0.92622 -0.00000 -0.00000 0.00000  416 TYR A HB3  
1448 H  HD1  . TYR A 97  ? 0.76295 0.76295 0.76295 -0.00000 0.00000  0.00000  416 TYR A HD1  
1449 H  HD2  . TYR A 97  ? 0.77939 0.77939 0.77939 -0.00000 -0.00000 -0.00000 416 TYR A HD2  
1450 H  HE1  . TYR A 97  ? 0.75481 0.75481 0.75481 0.00000  -0.00000 -0.00000 416 TYR A HE1  
1451 H  HE2  . TYR A 97  ? 0.72565 0.72565 0.72565 -0.00000 0.00000  0.00000  416 TYR A HE2  
1452 H  HH   . TYR A 97  ? 0.74143 0.74143 0.74143 -0.00000 -0.00000 0.00000  416 TYR A HH   
1453 N  N    . HIS A 98  ? 0.51402 0.55719 0.61464 0.24707  -0.09421 -0.04752 417 HIS A N    
1454 C  CA   . HIS A 98  ? 0.45204 0.48230 0.55999 0.22475  -0.07840 -0.05665 417 HIS A CA   
1455 C  C    . HIS A 98  ? 0.45956 0.46016 0.52877 0.21308  -0.09506 -0.07137 417 HIS A C    
1456 O  O    . HIS A 98  ? 0.47557 0.48371 0.55296 0.19752  -0.11973 -0.07897 417 HIS A O    
1457 C  CB   . HIS A 98  ? 0.48904 0.55488 0.65055 0.20755  -0.08098 -0.05406 417 HIS A CB   
1458 C  CG   . HIS A 98  ? 0.58073 0.67097 0.78255 0.21802  -0.05564 -0.04183 417 HIS A CG   
1459 N  ND1  . HIS A 98  ? 0.53852 0.60859 0.72732 0.23220  -0.02386 -0.03763 417 HIS A ND1  
1460 C  CD2  . HIS A 98  ? 0.42089 0.55335 0.67797 0.21642  -0.05584 -0.03367 417 HIS A CD2  
1461 C  CE1  . HIS A 98  ? 0.67106 0.76642 0.90340 0.23973  -0.00467 -0.02832 417 HIS A CE1  
1462 N  NE2  . HIS A 98  ? 0.42442 0.55962 0.70025 0.23128  -0.02311 -0.02524 417 HIS A NE2  
1463 H  H    . HIS A 98  ? 0.67495 0.67495 0.67495 0.00000  0.00000  -0.00000 417 HIS A H    
1464 H  HA   . HIS A 98  ? 0.59835 0.59835 0.59835 0.00000  -0.00000 -0.00000 417 HIS A HA   
1465 H  HB2  . HIS A 98  ? 0.67840 0.67840 0.67840 0.00000  0.00000  0.00000  417 HIS A HB2  
1466 H  HB3  . HIS A 98  ? 0.67840 0.67840 0.67840 0.00000  0.00000  0.00000  417 HIS A HB3  
1467 H  HD1  . HIS A 98  ? 0.75039 0.75039 0.75039 -0.00000 -0.00000 0.00000  417 HIS A HD1  
1468 H  HD2  . HIS A 98  ? 0.65781 0.65781 0.65781 0.00000  -0.00000 0.00000  417 HIS A HD2  
1469 H  HE1  . HIS A 98  ? 0.93697 0.93697 0.93697 -0.00000 -0.00000 -0.00000 417 HIS A HE1  
1470 N  N    . TYR A 99  ? 0.62893 0.59529 0.65855 0.22048  -0.08036 -0.07560 418 TYR A N    
1471 C  CA   . TYR A 99  ? 0.55931 0.49551 0.55635 0.21148  -0.08974 -0.08921 418 TYR A CA   
1472 C  C    . TYR A 99  ? 0.55303 0.47931 0.56229 0.19214  -0.07445 -0.09177 418 TYR A C    
1473 O  O    . TYR A 99  ? 0.79687 0.70888 0.79590 0.19448  -0.05014 -0.08953 418 TYR A O    
1474 C  CB   . TYR A 99  ? 0.70188 0.61074 0.65374 0.22978  -0.08173 -0.09148 418 TYR A CB   
1475 C  CG   . TYR A 99  ? 0.69871 0.58111 0.61725 0.22618  -0.09681 -0.10642 418 TYR A CG   
1476 C  CD1  . TYR A 99  ? 0.76228 0.64862 0.67522 0.22065  -0.12653 -0.11566 418 TYR A CD1  
1477 C  CD2  . TYR A 99  ? 0.94217 0.79677 0.83668 0.22709  -0.08052 -0.11149 418 TYR A CD2  
1478 C  CE1  . TYR A 99  ? 0.88076 0.73870 0.76251 0.21789  -0.13770 -0.13157 418 TYR A CE1  
1479 C  CE2  . TYR A 99  ? 0.75067 0.58379 0.61974 0.22280  -0.09093 -0.12349 418 TYR A CE2  
1480 C  CZ   . TYR A 99  ? 0.81344 0.64255 0.67364 0.22249  -0.11918 -0.13649 418 TYR A CZ   
1481 O  OH   . TYR A 99  ? 1.15694 0.95747 0.98991 0.22191  -0.12764 -0.15262 418 TYR A OH   
1482 H  H    . TYR A 99  ? 0.75372 0.75372 0.75372 -0.00000 -0.00000 -0.00000 418 TYR A H    
1483 H  HA   . TYR A 99  ? 0.64508 0.64508 0.64508 0.00000  0.00000  0.00000  418 TYR A HA   
1484 H  HB2  . TYR A 99  ? 0.78716 0.78716 0.78716 -0.00000 -0.00000 0.00000  418 TYR A HB2  
1485 H  HB3  . TYR A 99  ? 0.78716 0.78716 0.78716 -0.00000 -0.00000 0.00000  418 TYR A HB3  
1486 H  HD1  . TYR A 99  ? 0.83506 0.83506 0.83506 -0.00000 -0.00000 -0.00000 418 TYR A HD1  
1487 H  HD2  . TYR A 99  ? 1.03087 1.03087 1.03087 -0.00000 -0.00000 -0.00000 418 TYR A HD2  
1488 H  HE1  . TYR A 99  ? 0.95340 0.95340 0.95340 -0.00000 0.00000  0.00000  418 TYR A HE1  
1489 H  HE2  . TYR A 99  ? 0.78229 0.78229 0.78229 -0.00000 -0.00000 0.00000  418 TYR A HE2  
1490 H  HH   . TYR A 99  ? 1.24234 1.24234 1.24234 -0.00000 -0.00000 0.00000  418 TYR A HH   
1491 N  N    . GLU A 100 ? 0.51211 0.44597 0.54234 0.17161  -0.08955 -0.09579 419 GLU A N    
1492 C  CA   . GLU A 100 ? 0.66281 0.59533 0.71042 0.15142  -0.07621 -0.09368 419 GLU A CA   
1493 C  C    . GLU A 100 ? 0.42503 0.32436 0.44485 0.14693  -0.07081 -0.09912 419 GLU A C    
1494 O  O    . GLU A 100 ? 0.53324 0.41020 0.52636 0.15528  -0.08199 -0.10743 419 GLU A O    
1495 C  CB   . GLU A 100 ? 0.47566 0.42543 0.55427 0.13007  -0.09418 -0.09433 419 GLU A CB   
1496 C  CG   . GLU A 100 ? 0.43520 0.42519 0.55190 0.13178  -0.09903 -0.08755 419 GLU A CG   
1497 C  CD   . GLU A 100 ? 0.99745 1.00745 1.13970 0.13244  -0.06959 -0.07766 419 GLU A CD   
1498 O  OE1  . GLU A 100 ? 0.82769 0.82234 0.96044 0.12258  -0.04867 -0.07713 419 GLU A OE1  
1499 O  OE2  . GLU A 100 ? 0.79834 0.83953 0.97028 0.14289  -0.06738 -0.07057 419 GLU A OE2  
1500 H  H    . GLU A 100 ? 0.60079 0.60079 0.60079 0.00000  0.00000  -0.00000 419 GLU A H    
1501 H  HA   . GLU A 100 ? 0.78804 0.78804 0.78804 -0.00000 0.00000  0.00000  419 GLU A HA   
1502 H  HB2  . GLU A 100 ? 0.58276 0.58276 0.58276 -0.00000 -0.00000 0.00000  419 GLU A HB2  
1503 H  HB3  . GLU A 100 ? 0.58276 0.58276 0.58276 -0.00000 -0.00000 0.00000  419 GLU A HB3  
1504 H  HG2  . GLU A 100 ? 0.56553 0.56553 0.56553 0.00000  -0.00000 0.00000  419 GLU A HG2  
1505 H  HG3  . GLU A 100 ? 0.56553 0.56553 0.56553 0.00000  -0.00000 0.00000  419 GLU A HG3  
1506 N  N    . GLY A 101 ? 0.56151 0.45933 0.58854 0.13346  -0.05296 -0.09415 420 GLY A N    
1507 C  CA   . GLY A 101 ? 0.53220 0.40511 0.54134 0.12574  -0.05044 -0.09608 420 GLY A CA   
1508 C  C    . GLY A 101 ? 0.47555 0.33096 0.45749 0.14168  -0.03705 -0.09839 420 GLY A C    
1509 O  O    . GLY A 101 ? 0.55941 0.39442 0.52699 0.14112  -0.04122 -0.10178 420 GLY A O    
1510 H  H    . GLY A 101 ? 0.64436 0.64436 0.64436 0.00000  0.00000  -0.00000 420 GLY A H    
1511 H  HA2  . GLY A 101 ? 0.59208 0.59208 0.59208 0.00000  -0.00000 -0.00000 420 GLY A HA2  
1512 H  HA3  . GLY A 101 ? 0.59208 0.59208 0.59208 0.00000  -0.00000 -0.00000 420 GLY A HA3  
1513 N  N    . MET A 102 ? 0.45211 0.31500 0.42950 0.15590  -0.01998 -0.09573 421 MET A N    
1514 C  CA   . MET A 102 ? 0.40037 0.25790 0.35769 0.15824  -0.00524 -0.09044 421 MET A CA   
1515 C  C    . MET A 102 ? 0.40543 0.26542 0.36561 0.14627  0.01863  -0.08493 421 MET A C    
1516 O  O    . MET A 102 ? 0.46187 0.31981 0.41442 0.13944  0.02548  -0.08187 421 MET A O    
1517 C  CB   . MET A 102 ? 0.66338 0.52983 0.61440 0.17178  -0.00343 -0.08597 421 MET A CB   
1518 C  CG   . MET A 102 ? 0.53583 0.39734 0.47383 0.18480  -0.02845 -0.09376 421 MET A CG   
1519 S  SD   . MET A 102 ? 0.62166 0.46549 0.53414 0.17939  -0.03443 -0.09823 421 MET A SD   
1520 C  CE   . MET A 102 ? 0.59677 0.44521 0.49509 0.18073  -0.01217 -0.08698 421 MET A CE   
1521 H  H    . MET A 102 ? 0.47925 0.47925 0.47925 -0.00000 -0.00000 0.00000  421 MET A H    
1522 H  HA   . MET A 102 ? 0.40700 0.40700 0.40700 0.00000  -0.00000 -0.00000 421 MET A HA   
1523 H  HB2  . MET A 102 ? 0.72366 0.72366 0.72366 -0.00000 -0.00000 0.00000  421 MET A HB2  
1524 H  HB3  . MET A 102 ? 0.72366 0.72366 0.72366 -0.00000 -0.00000 0.00000  421 MET A HB3  
1525 H  HG2  . MET A 102 ? 0.56341 0.56341 0.56341 0.00000  0.00000  -0.00000 421 MET A HG2  
1526 H  HG3  . MET A 102 ? 0.56341 0.56341 0.56341 0.00000  0.00000  -0.00000 421 MET A HG3  
1527 H  HE1  . MET A 102 ? 0.61545 0.61545 0.61545 0.00000  -0.00000 -0.00000 421 MET A HE1  
1528 H  HE2  . MET A 102 ? 0.61545 0.61545 0.61545 0.00000  -0.00000 -0.00000 421 MET A HE2  
1529 H  HE3  . MET A 102 ? 0.61545 0.61545 0.61545 0.00000  -0.00000 -0.00000 421 MET A HE3  
1530 N  N    . SER A 103 ? 0.45699 0.32251 0.42923 0.14390  0.03097  -0.08573 422 SER A N    
1531 C  CA   . SER A 103 ? 0.45923 0.32673 0.43099 0.13167  0.05299  -0.08409 422 SER A CA   
1532 C  C    . SER A 103 ? 0.58950 0.45277 0.56100 0.11808  0.05717  -0.08638 422 SER A C    
1533 O  O    . SER A 103 ? 0.56561 0.44285 0.55576 0.10919  0.04896  -0.08391 422 SER A O    
1534 C  CB   . SER A 103 ? 0.47780 0.35954 0.46183 0.13440  0.06852  -0.08082 422 SER A CB   
1535 O  OG   . SER A 103 ? 1.45323 1.33720 1.43203 0.12169  0.08383  -0.08155 422 SER A OG   
1536 H  H    . SER A 103 ? 0.48411 0.48411 0.48411 -0.00000 -0.00000 0.00000  422 SER A H    
1537 H  HA   . SER A 103 ? 0.48739 0.48739 0.48739 -0.00000 -0.00000 0.00000  422 SER A HA   
1538 H  HB2  . SER A 103 ? 0.52028 0.52028 0.52028 0.00000  -0.00000 -0.00000 422 SER A HB2  
1539 H  HB3  . SER A 103 ? 0.52028 0.52028 0.52028 0.00000  -0.00000 -0.00000 422 SER A HB3  
1540 H  HG   . SER A 103 ? 1.68960 1.68960 1.68960 -0.00000 -0.00000 0.00000  422 SER A HG   
1541 N  N    . VAL A 104 ? 0.52906 0.38465 0.48697 0.10524  0.06727  -0.08665 423 VAL A N    
1542 C  CA   . VAL A 104 ? 0.55021 0.41156 0.50908 0.07970  0.06754  -0.08316 423 VAL A CA   
1543 C  C    . VAL A 104 ? 0.54752 0.41968 0.51279 0.07004  0.09143  -0.08444 423 VAL A C    
1544 O  O    . VAL A 104 ? 0.53464 0.40187 0.49340 0.07612  0.11389  -0.08904 423 VAL A O    
1545 C  CB   . VAL A 104 ? 0.57448 0.42671 0.51583 0.06913  0.06714  -0.08209 423 VAL A CB   
1546 C  CG1  . VAL A 104 ? 0.39604 0.25497 0.33227 0.04152  0.06941  -0.07712 423 VAL A CG1  
1547 C  CG2  . VAL A 104 ? 0.58456 0.42725 0.52563 0.07859  0.04436  -0.08028 423 VAL A CG2  
1548 H  H    . VAL A 104 ? 0.56089 0.56089 0.56089 -0.00000 0.00000  0.00000  423 VAL A H    
1549 H  HA   . VAL A 104 ? 0.58896 0.58896 0.58896 -0.00000 -0.00000 0.00000  423 VAL A HA   
1550 H  HB   . VAL A 104 ? 0.60742 0.60742 0.60742 0.00000  -0.00000 -0.00000 423 VAL A HB   
1551 H  HG11 . VAL A 104 ? 0.39393 0.39393 0.39393 -0.00000 -0.00000 -0.00000 423 VAL A HG11 
1552 H  HG12 . VAL A 104 ? 0.39393 0.39393 0.39393 -0.00000 -0.00000 -0.00000 423 VAL A HG12 
1553 H  HG13 . VAL A 104 ? 0.39393 0.39393 0.39393 -0.00000 -0.00000 -0.00000 423 VAL A HG13 
1554 H  HG21 . VAL A 104 ? 0.61559 0.61559 0.61559 -0.00000 -0.00000 0.00000  423 VAL A HG21 
1555 H  HG22 . VAL A 104 ? 0.61559 0.61559 0.61559 -0.00000 -0.00000 0.00000  423 VAL A HG22 
1556 H  HG23 . VAL A 104 ? 0.61559 0.61559 0.61559 -0.00000 -0.00000 0.00000  423 VAL A HG23 
1557 N  N    . ALA A 105 ? 0.53482 0.42019 0.51359 0.05461  0.08857  -0.08070 424 ALA A N    
1558 C  CA   . ALA A 105 ? 0.56857 0.46523 0.55428 0.04318  0.11337  -0.08256 424 ALA A CA   
1559 C  C    . ALA A 105 ? 0.52680 0.42123 0.49167 0.01511  0.12200  -0.08161 424 ALA A C    
1560 O  O    . ALA A 105 ? 0.69063 0.58209 0.64252 0.00685  0.14746  -0.08812 424 ALA A O    
1561 C  CB   . ALA A 105 ? 0.46790 0.38502 0.48481 0.04370  0.10837  -0.07892 424 ALA A CB   
1562 H  H    . ALA A 105 ? 0.58806 0.58806 0.58806 0.00000  -0.00000 -0.00000 424 ALA A H    
1563 H  HA   . ALA A 105 ? 0.63585 0.63585 0.63585 0.00000  -0.00000 -0.00000 424 ALA A HA   
1564 H  HB1  . ALA A 105 ? 0.53571 0.53571 0.53571 0.00000  0.00000  -0.00000 424 ALA A HB1  
1565 H  HB2  . ALA A 105 ? 0.53571 0.53571 0.53571 0.00000  0.00000  -0.00000 424 ALA A HB2  
1566 H  HB3  . ALA A 105 ? 0.53571 0.53571 0.53571 0.00000  0.00000  -0.00000 424 ALA A HB3  
1567 N  N    . GLU A 106 ? 0.57098 0.46505 0.53057 -0.00018 0.10103  -0.07340 425 GLU A N    
1568 C  CA   . GLU A 106 ? 0.70635 0.59905 0.64270 -0.02732 0.10442  -0.06907 425 GLU A CA   
1569 C  C    . GLU A 106 ? 0.43399 0.31716 0.36044 -0.03086 0.07722  -0.05993 425 GLU A C    
1570 O  O    . GLU A 106 ? 0.70972 0.58790 0.65100 -0.01693 0.05594  -0.05658 425 GLU A O    
1571 C  CB   . GLU A 106 ? 0.57387 0.47985 0.51720 -0.04791 0.11143  -0.06379 425 GLU A CB   
1572 C  CG   . GLU A 106 ? 0.79721 0.71482 0.75247 -0.04667 0.14250  -0.07262 425 GLU A CG   
1573 C  CD   . GLU A 106 ? 1.33306 1.26603 1.29680 -0.06794 0.15146  -0.06717 425 GLU A CD   
1574 O  OE1  . GLU A 106 ? 1.45331 1.38530 1.40890 -0.08578 0.13347  -0.05552 425 GLU A OE1  
1575 O  OE2  . GLU A 106 ? 1.32439 1.27005 1.30449 -0.06641 0.17768  -0.07370 425 GLU A OE2  
1576 H  H    . GLU A 106 ? 0.62725 0.62725 0.62725 -0.00000 0.00000  -0.00000 425 GLU A H    
1577 H  HA   . GLU A 106 ? 0.77986 0.77986 0.77986 -0.00000 -0.00000 0.00000  425 GLU A HA   
1578 H  HB2  . GLU A 106 ? 0.62898 0.62898 0.62898 0.00000  -0.00000 0.00000  425 GLU A HB2  
1579 H  HB3  . GLU A 106 ? 0.62898 0.62898 0.62898 0.00000  -0.00000 0.00000  425 GLU A HB3  
1580 H  HG2  . GLU A 106 ? 0.90641 0.90641 0.90641 -0.00000 0.00000  0.00000  425 GLU A HG2  
1581 H  HG3  . GLU A 106 ? 0.90641 0.90641 0.90641 -0.00000 0.00000  0.00000  425 GLU A HG3  
1582 N  N    . CYS A 107 ? 0.65195 0.53271 0.55346 -0.04975 0.07810  -0.05617 426 CYS A N    
1583 C  CA   . CYS A 107 ? 0.50399 0.37878 0.39858 -0.05443 0.05315  -0.04472 426 CYS A CA   
1584 C  C    . CYS A 107 ? 0.54090 0.41962 0.42149 -0.08219 0.04608  -0.03086 426 CYS A C    
1585 O  O    . CYS A 107 ? 0.73673 0.62295 0.60499 -0.10077 0.06452  -0.03262 426 CYS A O    
1586 C  CB   . CYS A 107 ? 0.68814 0.56026 0.56763 -0.05249 0.05536  -0.04879 426 CYS A CB   
1587 S  SG   . CYS A 107 ? 0.99726 0.86210 0.88963 -0.02089 0.06334  -0.06179 426 CYS A SG   
1588 H  H    . CYS A 107 ? 0.69586 0.69586 0.69586 -0.00000 -0.00000 0.00000  426 CYS A H    
1589 H  HA   . CYS A 107 ? 0.51315 0.51315 0.51315 -0.00000 0.00000  -0.00000 426 CYS A HA   
1590 H  HB2  . CYS A 107 ? 0.72703 0.72703 0.72703 -0.00000 -0.00000 0.00000  426 CYS A HB2  
1591 H  HB3  . CYS A 107 ? 0.72703 0.72703 0.72703 -0.00000 -0.00000 0.00000  426 CYS A HB3  
1592 N  N    . GLY A 108 ? 0.69409 0.56658 0.57631 -0.08437 0.02035  -0.01633 427 GLY A N    
1593 C  CA   . GLY A 108 ? 0.49004 0.36378 0.35767 -0.10973 0.01048  0.00100  427 GLY A CA   
1594 C  C    . GLY A 108 ? 0.49603 0.36002 0.37071 -0.10528 -0.01898 0.01762  427 GLY A C    
1595 O  O    . GLY A 108 ? 0.73557 0.59021 0.63155 -0.08164 -0.03116 0.01428  427 GLY A O    
1596 H  H    . GLY A 108 ? 0.73540 0.73540 0.73540 0.00000  -0.00000 0.00000  427 GLY A H    
1597 H  HA2  . GLY A 108 ? 0.48152 0.48152 0.48152 -0.00000 -0.00000 0.00000  427 GLY A HA2  
1598 H  HA3  . GLY A 108 ? 0.48152 0.48152 0.48152 -0.00000 -0.00000 0.00000  427 GLY A HA3  
1599 N  N    . CYS A 109 ? 0.84616 0.71183 0.70170 -0.12815 -0.02946 0.03616  428 CYS A N    
1600 C  CA   . CYS A 109 ? 0.69482 0.55146 0.55793 -0.12549 -0.05770 0.05634  428 CYS A CA   
1601 C  C    . CYS A 109 ? 0.59485 0.43512 0.47661 -0.12501 -0.07037 0.06797  428 CYS A C    
1602 O  O    . CYS A 109 ? 0.58616 0.42772 0.45867 -0.14521 -0.06287 0.07454  428 CYS A O    
1603 C  CB   . CYS A 109 ? 0.56698 0.43365 0.39977 -0.15050 -0.06576 0.07390  428 CYS A CB   
1604 S  SG   . CYS A 109 ? 0.88153 0.76630 0.69588 -0.15279 -0.05760 0.06137  428 CYS A SG   
1605 H  H    . CYS A 109 ? 0.90449 0.90449 0.90449 -0.00000 -0.00000 -0.00000 428 CYS A H    
1606 H  HA   . CYS A 109 ? 0.72230 0.72230 0.72230 0.00000  -0.00000 -0.00000 428 CYS A HA   
1607 H  HB2  . CYS A 109 ? 0.55708 0.55708 0.55708 0.00000  0.00000  -0.00000 428 CYS A HB2  
1608 H  HB3  . CYS A 109 ? 0.55708 0.55708 0.55708 0.00000  0.00000  -0.00000 428 CYS A HB3  
1609 N  N    . ARG A 110 ? 0.55209 0.37606 0.46015 -0.10292 -0.08792 0.06953  429 ARG A N    
1610 C  CA   . ARG A 110 ? 0.55103 0.35510 0.47836 -0.10248 -0.09912 0.07679  429 ARG A CA   
1611 C  C    . ARG A 110 ? 0.80364 0.58760 0.74373 -0.09489 -0.12454 0.09618  429 ARG A C    
1612 O  O    . ARG A 110 ? 0.59677 0.36298 0.54332 -0.10473 -0.13587 0.11203  429 ARG A O    
1613 C  CB   . ARG A 110 ? 0.52651 0.32574 0.47518 -0.08250 -0.09223 0.05430  429 ARG A CB   
1614 C  CG   . ARG A 110 ? 0.56696 0.38435 0.51148 -0.09066 -0.06934 0.04028  429 ARG A CG   
1615 C  CD   . ARG A 110 ? 0.57420 0.39421 0.51499 -0.11749 -0.06580 0.05344  429 ARG A CD   
1616 N  NE   . ARG A 110 ? 0.77353 0.61385 0.71472 -0.12469 -0.04163 0.04075  429 ARG A NE   
1617 C  CZ   . ARG A 110 ? 0.58660 0.44374 0.50504 -0.13647 -0.02021 0.03677  429 ARG A CZ   
1618 N  NH1  . ARG A 110 ? 0.74344 0.60108 0.63402 -0.14501 -0.02205 0.04423  429 ARG A NH1  
1619 N  NH2  . ARG A 110 ? 0.67619 0.54998 0.60090 -0.14022 0.00311  0.02505  429 ARG A NH2  
1620 O  OXT  . ARG A 110 ? 0.82837 0.61501 0.77394 -0.07878 -0.13150 0.09544  429 ARG A OXT  
1621 H  H    . ARG A 110 ? 0.55593 0.55593 0.55593 0.00000  0.00000  -0.00000 429 ARG A H    
1622 H  HA   . ARG A 110 ? 0.55072 0.55072 0.55072 0.00000  -0.00000 -0.00000 429 ARG A HA   
1623 H  HB2  . ARG A 110 ? 0.52790 0.52790 0.52790 0.00000  -0.00000 -0.00000 429 ARG A HB2  
1624 H  HB3  . ARG A 110 ? 0.52790 0.52790 0.52790 0.00000  -0.00000 -0.00000 429 ARG A HB3  
1625 H  HG2  . ARG A 110 ? 0.58573 0.58573 0.58573 -0.00000 0.00000  -0.00000 429 ARG A HG2  
1626 H  HG3  . ARG A 110 ? 0.58573 0.58573 0.58573 -0.00000 0.00000  -0.00000 429 ARG A HG3  
1627 H  HD2  . ARG A 110 ? 0.59398 0.59398 0.59398 0.00000  0.00000  0.00000  429 ARG A HD2  
1628 H  HD3  . ARG A 110 ? 0.59398 0.59398 0.59398 0.00000  0.00000  0.00000  429 ARG A HD3  
1629 H  HE   . ARG A 110 ? 0.84145 0.84145 0.84145 0.00000  -0.00000 -0.00000 429 ARG A HE   
1630 H  HH11 . ARG A 110 ? 0.79203 0.79203 0.79203 -0.00000 0.00000  0.00000  429 ARG A HH11 
1631 H  HH12 . ARG A 110 ? 0.79203 0.79203 0.79203 -0.00000 0.00000  0.00000  429 ARG A HH12 
1632 H  HH21 . ARG A 110 ? 0.73144 0.73144 0.73144 -0.00000 -0.00000 0.00000  429 ARG A HH21 
1633 H  HH22 . ARG A 110 ? 0.73144 0.73144 0.73144 -0.00000 -0.00000 0.00000  429 ARG A HH22 
1634 C  C1   . GOL B .   ? 1.10318 1.40747 1.10511 0.02566  -0.09402 -0.01980 501 GOL A C1   
1635 O  O1   . GOL B .   ? 0.97299 1.27896 0.77098 0.02631  0.00393  0.20255  501 GOL A O1   
1636 C  C2   . GOL B .   ? 1.02613 1.18550 0.77139 0.03751  0.05286  -0.04437 501 GOL A C2   
1637 O  O2   . GOL B .   ? 1.02906 1.25492 0.99721 0.02037  -0.06306 0.08189  501 GOL A O2   
1638 C  C3   . GOL B .   ? 1.00197 1.19746 1.09586 -0.02637 -0.10479 0.11405  501 GOL A C3   
1639 O  O3   . GOL B .   ? 1.09486 1.26292 0.77465 0.03978  0.00669  -0.03468 501 GOL A O3   
1640 H  H11  . GOL B .   ? 1.44692 1.44692 1.44692 -0.00000 -0.00000 -0.00000 501 GOL A H11  
1641 H  H12  . GOL B .   ? 1.44692 1.44692 1.44692 -0.00000 -0.00000 -0.00000 501 GOL A H12  
1642 H  HO1  . GOL B .   ? 1.20979 1.20979 1.20979 0.00000  0.00000  0.00000  501 GOL A HO1  
1643 H  H2   . GOL B .   ? 1.19382 1.19382 1.19382 0.00000  -0.00000 -0.00000 501 GOL A H2   
1644 H  HO2  . GOL B .   ? 1.31309 1.31309 1.31309 -0.00000 0.00000  0.00000  501 GOL A HO2  
1645 H  H31  . GOL B .   ? 1.31873 1.31873 1.31873 -0.00000 -0.00000 -0.00000 501 GOL A H31  
1646 H  H32  . GOL B .   ? 1.31873 1.31873 1.31873 -0.00000 -0.00000 -0.00000 501 GOL A H32  
1647 H  HO3  . GOL B .   ? 1.25359 1.25359 1.25359 0.00000  -0.00000 0.00000  501 GOL A HO3  
1648 CL CL   . CL  C .   ? 0.95937 0.94958 1.07302 -0.01835 -0.14766 0.12203  502 CL  A CL   
1649 CL CL   . CL  D .   ? 0.69069 0.66189 0.53081 -0.04683 -0.11478 -0.01005 503 CL  A CL   
1650 CL CL   . CL  E .   ? 0.81213 0.76592 0.62569 -0.07909 0.10866  0.12499  504 CL  A CL   
1651 CL CL   . CL  F .   ? 0.33208 0.39467 0.36502 -0.08229 0.12145  0.03206  505 CL  A CL   
1652 CL CL   . CL  G .   ? 1.22330 1.22405 1.04894 0.14006  -0.07648 -0.07611 506 CL  A CL   
1653 CL CL   . CL  H .   ? 0.97175 1.03571 0.96640 -0.01252 0.14711  -0.18019 507 CL  A CL   
1654 CL CL   . CL  I .   ? 1.22798 1.20818 1.11193 0.04147  0.21158  0.14271  508 CL  A CL   
1655 CL CL   . CL  J .   ? 1.19269 1.12446 0.98500 -0.15024 0.09151  -0.06767 509 CL  A CL   
1656 CL CL   . CL  K .   ? 1.17808 1.13768 1.20112 -0.12429 -0.01660 0.19847  510 CL  A CL   
1657 CL CL   . CL  L .   ? 0.75723 0.80697 0.75340 0.39839  0.16626  0.19163  511 CL  A CL   
1658 NA NA   . NA  M .   ? 0.72357 0.61358 0.63855 0.09463  0.00965  -0.14080 512 NA  A NA   
1659 NA NA   . NA  N .   ? 0.73151 0.68600 1.09477 -0.04106 0.00393  -0.01941 513 NA  A NA   
1660 NA NA   . NA  O .   ? 0.83822 0.77330 0.84626 0.07837  0.05750  0.10273  514 NA  A NA   
1661 O  O    . HOH P .   ? 0.68260 0.43090 0.47250 0.07075  -0.17002 -0.18488 601 HOH A O    
1662 O  O    . HOH P .   ? 0.36010 0.28535 0.25203 -0.17605 -0.00962 -0.05044 602 HOH A O    
1663 O  O    . HOH P .   ? 0.71560 0.64823 0.75355 0.10844  0.11138  0.18087  603 HOH A O    
1664 O  O    . HOH P .   ? 0.71492 0.65307 0.52725 -0.08356 0.30817  -0.07012 604 HOH A O    
1665 O  O    . HOH P .   ? 0.73677 0.68299 0.77454 0.03108  0.16790  0.03031  605 HOH A O    
1666 O  O    . HOH P .   ? 0.75642 0.65843 0.80266 0.07015  -0.12607 0.13674  606 HOH A O    
1667 O  O    . HOH P .   ? 0.69097 0.76498 0.73543 0.17542  0.23403  -0.03813 607 HOH A O    
1668 O  O    . HOH P .   ? 0.88584 0.67427 0.60734 0.23280  0.17762  -0.12022 608 HOH A O    
1669 O  O    . HOH P .   ? 0.65426 0.75687 0.52054 0.11844  0.04237  0.01979  609 HOH A O    
1670 O  O    . HOH P .   ? 0.90778 0.80531 0.66076 0.01364  -0.13745 0.15701  610 HOH A O    
1671 O  O    . HOH P .   ? 1.04958 1.17609 1.00690 0.00972  -0.00442 0.14041  611 HOH A O    
1672 O  O    . HOH P .   ? 0.81634 0.59140 0.79067 0.14225  0.04013  -0.16308 612 HOH A O    
1673 O  O    . HOH P .   ? 0.85775 0.76745 0.83256 0.12264  -0.02300 -0.02519 613 HOH A O    
1674 O  O    . HOH P .   ? 0.46227 0.37088 0.21039 -0.01349 -0.02160 -0.15317 614 HOH A O    
1675 O  O    . HOH P .   ? 0.67421 0.54012 0.62017 -0.13682 -0.04613 0.10177  615 HOH A O    
1676 O  O    . HOH P .   ? 0.57039 0.53334 0.31663 -0.18937 0.16532  -0.16729 616 HOH A O    
1677 O  O    . HOH P .   ? 0.79753 0.95303 0.90362 0.05147  -0.15338 -0.02277 617 HOH A O    
1678 O  O    . HOH P .   ? 0.83992 0.79528 0.92979 0.27750  -0.08508 -0.01183 618 HOH A O    
1679 O  O    . HOH P .   ? 0.44272 0.36025 0.57471 0.11313  -0.09068 0.08532  619 HOH A O    
1680 O  O    . HOH P .   ? 0.74721 0.77774 0.69931 -0.01999 -0.04158 -0.03194 620 HOH A O    
1681 O  O    . HOH P .   ? 0.65015 0.55238 0.82371 0.21248  0.11715  -0.08635 621 HOH A O    
1682 O  O    . HOH P .   ? 0.57446 0.46080 0.54660 0.04066  0.00369  -0.14948 622 HOH A O    
1683 O  O    . HOH P .   ? 0.34306 0.37637 0.41247 0.15115  0.15538  -0.00976 623 HOH A O    
1684 O  O    . HOH P .   ? 1.03303 1.02241 0.88070 -0.06910 -0.05663 -0.06746 624 HOH A O    
1685 O  O    . HOH P .   ? 0.37230 0.47658 0.33571 -0.05607 0.02860  -0.15021 625 HOH A O    
1686 O  O    . HOH P .   ? 0.47353 0.56691 0.53761 0.22138  0.12266  -0.13422 626 HOH A O    
1687 O  O    . HOH P .   ? 0.94805 0.99484 0.74028 0.10824  -0.12055 -0.13659 627 HOH A O    
1688 O  O    . HOH P .   ? 0.46982 0.39813 0.44505 0.19809  0.08196  -0.12025 628 HOH A O    
1689 O  O    . HOH P .   ? 0.79245 0.92553 0.83035 -0.06042 0.19582  0.03134  629 HOH A O    
1690 O  O    . HOH P .   ? 0.65266 0.63644 0.67634 0.09012  0.34626  0.23870  630 HOH A O    
1691 O  O    . HOH P .   ? 0.89514 0.77653 0.64261 0.05039  0.00722  0.04262  631 HOH A O    
1692 O  O    . HOH P .   ? 0.97911 0.96724 1.03844 -0.05612 0.05166  -0.05535 632 HOH A O    
1693 O  O    . HOH P .   ? 0.87244 0.85624 0.93873 -0.02195 -0.08493 -0.09786 633 HOH A O    
1694 O  O    . HOH P .   ? 0.62107 0.63072 0.60272 -0.14008 -0.07079 0.28555  634 HOH A O    
1695 O  O    . HOH P .   ? 0.80582 0.84296 0.72562 -0.05399 0.06216  -0.14158 635 HOH A O    
1696 O  O    . HOH P .   ? 0.17875 0.23859 0.23775 0.06892  0.08815  0.12695  636 HOH A O    
1697 O  O    . HOH P .   ? 0.71659 0.79615 0.85847 0.02171  0.05586  -0.08742 637 HOH A O    
1698 O  O    . HOH P .   ? 0.70259 0.74242 0.77543 -0.02172 0.11922  -0.05653 638 HOH A O    
1699 O  O    . HOH P .   ? 0.76497 0.74061 0.79318 0.08483  -0.00825 0.01465  639 HOH A O    
1700 O  O    . HOH P .   ? 0.77226 0.72940 0.66147 -0.00701 0.08486  -0.15137 640 HOH A O    
1701 O  O    . HOH P .   ? 0.79210 0.68745 0.75555 -0.05322 -0.14972 -0.16092 641 HOH A O    
1702 O  O    . HOH P .   ? 0.65836 0.66270 0.54947 0.09912  0.08767  -0.15327 642 HOH A O    
1703 O  O    . HOH P .   ? 0.63382 0.70807 0.52083 0.11846  -0.07203 0.12486  643 HOH A O    
1704 O  O    . HOH P .   ? 0.82347 0.80001 0.93464 0.01597  -0.05164 0.07101  644 HOH A O    
1705 O  O    . HOH P .   ? 0.77086 0.78176 0.88312 -0.00832 -0.09956 -0.10907 645 HOH A O    
1706 O  O    . HOH P .   ? 0.83277 0.86656 0.86397 -0.05272 0.02882  0.11231  646 HOH A O    
1707 O  O    . HOH P .   ? 0.92749 0.90262 0.78626 0.20813  -0.00017 0.04347  647 HOH A O    
1708 O  O    . HOH P .   ? 0.86322 0.77042 0.68366 0.07509  0.09433  -0.00501 648 HOH A O    
1709 O  O    . HOH P .   ? 0.64193 0.68722 0.67910 -0.05389 -0.13013 -0.11206 649 HOH A O    
1710 O  O    . HOH P .   ? 0.69676 0.81790 0.80837 -0.00014 -0.00016 -0.14566 650 HOH A O    
1711 O  O    . HOH P .   ? 0.75154 0.56515 0.54374 -0.09888 0.08565  0.11512  651 HOH A O    
1712 O  O    . HOH P .   ? 0.62174 0.70541 0.48593 -0.05509 0.04803  0.18154  652 HOH A O    
1713 O  O    . HOH P .   ? 0.67771 0.73264 0.76246 0.19961  0.06146  -0.13454 653 HOH A O    
1714 O  O    . HOH P .   ? 0.59977 0.62086 0.46794 -0.01168 0.05822  -0.08727 654 HOH A O    
1715 O  O    . HOH P .   ? 0.87315 0.86455 0.87059 0.13055  0.04335  -0.03697 655 HOH A O    
1716 O  O    . HOH P .   ? 0.80326 0.77060 0.73334 0.26082  0.11929  0.21872  656 HOH A O    
1717 O  O    . HOH P .   ? 0.81076 0.80843 0.76886 0.04533  -0.03563 0.09231  657 HOH A O    
1718 O  O    . HOH P .   ? 0.74277 0.80656 0.53247 0.09540  0.21253  0.09922  658 HOH A O    
1719 O  O    . HOH P .   ? 0.76395 0.68040 0.75747 0.05662  -0.07097 -0.01954 659 HOH A O    
1720 O  O    . HOH P .   ? 0.82707 0.81817 0.97366 -0.17032 -0.04145 -0.00262 660 HOH A O    
# 
