data_9DPX
# 
_entry.id   9DPX 
# 
_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   9DPX         pdb_00009dpx 10.2210/pdb9dpx/pdb 
WWPDB D_1000287438 ?            ?                   
# 
_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                        9DPX 
_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' 12177.011 1  ? 'A321S, K357R, G389S' ? ? 
2 non-polymer syn GLYCEROL                          92.094    2  ? ?                     ? ? 
3 non-polymer syn 'CHLORIDE ION'                    35.453    6  ? ?                     ? ? 
4 non-polymer syn 'SODIUM ION'                      22.990    3  ? ?                     ? ? 
5 water       nat water                             18.015    69 ? ?                     ? ? 
# 
_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       
;SSGAGSHCQKTSLRVNFEDIGWDSWIIAPKEYEAYECRGGCFFPLADDVTPTKHAIVQTLVHLKFPTKVSKACCVPTKLS
PISVLYKDDMGVPTLKYHYEGMSVAECGCR
;
_entity_poly.pdbx_seq_one_letter_code_can   
;SSGAGSHCQKTSLRVNFEDIGWDSWIIAPKEYEAYECRGGCFFPLADDVTPTKHAIVQTLVHLKFPTKVSKACCVPTKLS
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  ARG n 
1 39  GLY n 
1 40  GLY n 
1 41  CYS n 
1 42  PHE n 
1 43  PHE n 
1 44  PRO n 
1 45  LEU n 
1 46  ALA n 
1 47  ASP n 
1 48  ASP n 
1 49  VAL n 
1 50  THR n 
1 51  PRO n 
1 52  THR n 
1 53  LYS n 
1 54  HIS n 
1 55  ALA n 
1 56  ILE n 
1 57  VAL n 
1 58  GLN n 
1 59  THR n 
1 60  LEU n 
1 61  VAL n 
1 62  HIS n 
1 63  LEU n 
1 64  LYS n 
1 65  PHE n 
1 66  PRO n 
1 67  THR n 
1 68  LYS n 
1 69  VAL n 
1 70  SER n 
1 71  LYS n 
1 72  ALA n 
1 73  CYS n 
1 74  CYS n 
1 75  VAL n 
1 76  PRO n 
1 77  THR n 
1 78  LYS n 
1 79  LEU n 
1 80  SER n 
1 81  PRO n 
1 82  ILE n 
1 83  SER n 
1 84  VAL n 
1 85  LEU n 
1 86  TYR n 
1 87  LYS n 
1 88  ASP n 
1 89  ASP n 
1 90  MET n 
1 91  GLY n 
1 92  VAL n 
1 93  PRO n 
1 94  THR n 
1 95  LEU n 
1 96  LYS n 
1 97  TYR n 
1 98  HIS n 
1 99  TYR n 
1 100 GLU n 
1 101 GLY n 
1 102 MET n 
1 103 SER n 
1 104 VAL n 
1 105 ALA n 
1 106 GLU n 
1 107 CYS n 
1 108 GLY n 
1 109 CYS n 
1 110 ARG n 
# 
_entity_src_gen.entity_id                          1 
_entity_src_gen.pdbx_src_id                        1 
_entity_src_gen.pdbx_alt_source_flag               sample 
_entity_src_gen.pdbx_seq_type                      'Biological sequence' 
_entity_src_gen.pdbx_beg_seq_num                   1 
_entity_src_gen.pdbx_end_seq_num                   110 
_entity_src_gen.gene_src_common_name               human 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 'GDF2, BMP9' 
_entity_src_gen.gene_src_species                   ? 
_entity_src_gen.gene_src_strain                    ? 
_entity_src_gen.gene_src_tissue                    ? 
_entity_src_gen.gene_src_tissue_fraction           ? 
_entity_src_gen.gene_src_details                   ? 
_entity_src_gen.pdbx_gene_src_fragment             ? 
_entity_src_gen.pdbx_gene_src_scientific_name      'Homo sapiens' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     9606 
_entity_src_gen.pdbx_gene_src_variant              ? 
_entity_src_gen.pdbx_gene_src_cell_line            ? 
_entity_src_gen.pdbx_gene_src_atcc                 ? 
_entity_src_gen.pdbx_gene_src_organ                ? 
_entity_src_gen.pdbx_gene_src_organelle            ? 
_entity_src_gen.pdbx_gene_src_cell                 ? 
_entity_src_gen.pdbx_gene_src_cellular_location    ? 
_entity_src_gen.host_org_common_name               ? 
_entity_src_gen.pdbx_host_org_scientific_name      'Homo sapiens' 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     9606 
_entity_src_gen.host_org_genus                     ? 
_entity_src_gen.pdbx_host_org_gene                 ? 
_entity_src_gen.pdbx_host_org_organ                kidney 
_entity_src_gen.host_org_species                   ? 
_entity_src_gen.pdbx_host_org_tissue               embryonic 
_entity_src_gen.pdbx_host_org_tissue_fraction      ? 
_entity_src_gen.pdbx_host_org_strain               ? 
_entity_src_gen.pdbx_host_org_variant              ? 
_entity_src_gen.pdbx_host_org_cell_line            'expi293 (Invitrogen)' 
_entity_src_gen.pdbx_host_org_atcc                 ? 
_entity_src_gen.pdbx_host_org_culture_collection   ? 
_entity_src_gen.pdbx_host_org_cell                 ? 
_entity_src_gen.pdbx_host_org_organelle            ? 
_entity_src_gen.pdbx_host_org_cellular_location    ? 
_entity_src_gen.pdbx_host_org_vector_type          plasmid 
_entity_src_gen.pdbx_host_org_vector               ? 
_entity_src_gen.host_org_details                   ? 
_entity_src_gen.expression_system_id               ? 
_entity_src_gen.plasmid_name                       pcdna3.1 
_entity_src_gen.plasmid_details                    ? 
_entity_src_gen.pdbx_description                   ? 
# 
loop_
_chem_comp.id 
_chem_comp.type 
_chem_comp.mon_nstd_flag 
_chem_comp.name 
_chem_comp.pdbx_synonyms 
_chem_comp.formula 
_chem_comp.formula_weight 
ALA 'L-peptide linking' y ALANINE         ?                               'C3 H7 N O2'     89.093  
ARG 'L-peptide linking' y ARGININE        ?                               'C6 H15 N4 O2 1' 175.209 
ASN 'L-peptide linking' y ASPARAGINE      ?                               'C4 H8 N2 O3'    132.118 
ASP 'L-peptide linking' y 'ASPARTIC ACID' ?                               'C4 H7 N O4'     133.103 
CL  non-polymer         . 'CHLORIDE ION'  ?                               'Cl -1'          35.453  
CYS 'L-peptide linking' y CYSTEINE        ?                               'C3 H7 N O2 S'   121.158 
GLN 'L-peptide linking' y GLUTAMINE       ?                               'C5 H10 N2 O3'   146.144 
GLU 'L-peptide linking' y 'GLUTAMIC ACID' ?                               'C5 H9 N O4'     147.129 
GLY 'peptide linking'   y GLYCINE         ?                               'C2 H5 N O2'     75.067  
GOL non-polymer         . GLYCEROL        'GLYCERIN; PROPANE-1,2,3-TRIOL' 'C3 H8 O3'       92.094  
HIS 'L-peptide linking' y HISTIDINE       ?                               'C6 H10 N3 O2 1' 156.162 
HOH non-polymer         . WATER           ?                               'H2 O'           18.015  
ILE 'L-peptide linking' y ISOLEUCINE      ?                               'C6 H13 N O2'    131.173 
LEU 'L-peptide linking' y LEUCINE         ?                               'C6 H13 N O2'    131.173 
LYS 'L-peptide linking' y LYSINE          ?                               'C6 H15 N2 O2 1' 147.195 
MET 'L-peptide linking' y METHIONINE      ?                               'C5 H11 N O2 S'  149.211 
NA  non-polymer         . 'SODIUM ION'    ?                               'Na 1'           22.990  
PHE 'L-peptide linking' y PHENYLALANINE   ?                               'C9 H11 N O2'    165.189 
PRO 'L-peptide linking' y PROLINE         ?                               'C5 H9 N O2'     115.130 
SER 'L-peptide linking' y SERINE          ?                               'C3 H7 N O3'     105.093 
THR 'L-peptide linking' y THREONINE       ?                               'C4 H9 N O3'     119.119 
TRP 'L-peptide linking' y TRYPTOPHAN      ?                               'C11 H12 N2 O2'  204.225 
TYR 'L-peptide linking' y TYROSINE        ?                               'C9 H11 N O3'    181.189 
VAL 'L-peptide linking' y VALINE          ?                               'C5 H11 N O2'    117.146 
# 
loop_
_pdbx_poly_seq_scheme.asym_id 
_pdbx_poly_seq_scheme.entity_id 
_pdbx_poly_seq_scheme.seq_id 
_pdbx_poly_seq_scheme.mon_id 
_pdbx_poly_seq_scheme.ndb_seq_num 
_pdbx_poly_seq_scheme.pdb_seq_num 
_pdbx_poly_seq_scheme.auth_seq_num 
_pdbx_poly_seq_scheme.pdb_mon_id 
_pdbx_poly_seq_scheme.auth_mon_id 
_pdbx_poly_seq_scheme.pdb_strand_id 
_pdbx_poly_seq_scheme.pdb_ins_code 
_pdbx_poly_seq_scheme.hetero 
A 1 1   SER 1   320 ?   ?   ?   A . n 
A 1 2   SER 2   321 ?   ?   ?   A . n 
A 1 3   GLY 3   322 ?   ?   ?   A . n 
A 1 4   ALA 4   323 ?   ?   ?   A . n 
A 1 5   GLY 5   324 324 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  ARG 38  357 357 ARG ARG A . n 
A 1 39  GLY 39  358 358 GLY GLY A . n 
A 1 40  GLY 40  359 359 GLY GLY A . n 
A 1 41  CYS 41  360 360 CYS CYS A . n 
A 1 42  PHE 42  361 361 PHE PHE A . n 
A 1 43  PHE 43  362 362 PHE PHE A . n 
A 1 44  PRO 44  363 363 PRO PRO A . n 
A 1 45  LEU 45  364 364 LEU LEU A . n 
A 1 46  ALA 46  365 365 ALA ALA A . n 
A 1 47  ASP 47  366 366 ASP ASP A . n 
A 1 48  ASP 48  367 367 ASP ASP A . n 
A 1 49  VAL 49  368 368 VAL VAL A . n 
A 1 50  THR 50  369 369 THR THR A . n 
A 1 51  PRO 51  370 370 PRO PRO A . n 
A 1 52  THR 52  371 371 THR THR A . n 
A 1 53  LYS 53  372 372 LYS LYS A . n 
A 1 54  HIS 54  373 373 HIS HIS A . n 
A 1 55  ALA 55  374 374 ALA ALA A . n 
A 1 56  ILE 56  375 375 ILE ILE A . n 
A 1 57  VAL 57  376 376 VAL VAL A . n 
A 1 58  GLN 58  377 377 GLN GLN A . n 
A 1 59  THR 59  378 378 THR THR A . n 
A 1 60  LEU 60  379 379 LEU LEU A . n 
A 1 61  VAL 61  380 380 VAL VAL A . n 
A 1 62  HIS 62  381 381 HIS HIS A . n 
A 1 63  LEU 63  382 382 LEU LEU A . n 
A 1 64  LYS 64  383 383 LYS LYS A . n 
A 1 65  PHE 65  384 384 PHE PHE A . n 
A 1 66  PRO 66  385 385 PRO PRO A . n 
A 1 67  THR 67  386 386 THR THR A . n 
A 1 68  LYS 68  387 387 LYS LYS A . n 
A 1 69  VAL 69  388 388 VAL VAL A . n 
A 1 70  SER 70  389 389 SER SER A . n 
A 1 71  LYS 71  390 390 LYS LYS A . n 
A 1 72  ALA 72  391 391 ALA ALA A . n 
A 1 73  CYS 73  392 392 CYS CYS A . n 
A 1 74  CYS 74  393 393 CYS CYS A . n 
A 1 75  VAL 75  394 394 VAL VAL A . n 
A 1 76  PRO 76  395 395 PRO PRO A . n 
A 1 77  THR 77  396 396 THR THR A . n 
A 1 78  LYS 78  397 397 LYS LYS A . n 
A 1 79  LEU 79  398 398 LEU LEU A . n 
A 1 80  SER 80  399 399 SER SER A . n 
A 1 81  PRO 81  400 400 PRO PRO A . n 
A 1 82  ILE 82  401 401 ILE ILE A . n 
A 1 83  SER 83  402 402 SER SER A . n 
A 1 84  VAL 84  403 403 VAL VAL A . n 
A 1 85  LEU 85  404 404 LEU LEU A . n 
A 1 86  TYR 86  405 405 TYR TYR A . n 
A 1 87  LYS 87  406 406 LYS LYS A . n 
A 1 88  ASP 88  407 407 ASP ASP A . n 
A 1 89  ASP 89  408 408 ASP ASP A . n 
A 1 90  MET 90  409 409 MET MET A . n 
A 1 91  GLY 91  410 410 GLY GLY A . n 
A 1 92  VAL 92  411 411 VAL VAL A . n 
A 1 93  PRO 93  412 412 PRO PRO A . n 
A 1 94  THR 94  413 413 THR THR A . n 
A 1 95  LEU 95  414 414 LEU LEU A . n 
A 1 96  LYS 96  415 415 LYS LYS A . n 
A 1 97  TYR 97  416 416 TYR TYR A . n 
A 1 98  HIS 98  417 417 HIS HIS A . n 
A 1 99  TYR 99  418 418 TYR TYR A . n 
A 1 100 GLU 100 419 419 GLU GLU A . n 
A 1 101 GLY 101 420 420 GLY GLY A . n 
A 1 102 MET 102 421 421 MET MET A . n 
A 1 103 SER 103 422 422 SER SER A . n 
A 1 104 VAL 104 423 423 VAL VAL A . n 
A 1 105 ALA 105 424 424 ALA ALA A . n 
A 1 106 GLU 106 425 425 GLU GLU A . n 
A 1 107 CYS 107 426 426 CYS CYS A . n 
A 1 108 GLY 108 427 427 GLY GLY A . n 
A 1 109 CYS 109 428 428 CYS CYS A . n 
A 1 110 ARG 110 429 429 ARG ARG A . n 
# 
loop_
_pdbx_nonpoly_scheme.asym_id 
_pdbx_nonpoly_scheme.entity_id 
_pdbx_nonpoly_scheme.mon_id 
_pdbx_nonpoly_scheme.ndb_seq_num 
_pdbx_nonpoly_scheme.pdb_seq_num 
_pdbx_nonpoly_scheme.auth_seq_num 
_pdbx_nonpoly_scheme.pdb_mon_id 
_pdbx_nonpoly_scheme.auth_mon_id 
_pdbx_nonpoly_scheme.pdb_strand_id 
_pdbx_nonpoly_scheme.pdb_ins_code 
B 2 GOL 1  501 1   GOL GOL A . 
C 2 GOL 1  502 2   GOL GOL A . 
D 3 CL  1  503 321 CL  CL  A . 
E 3 CL  1  504 323 CL  CL  A . 
F 3 CL  1  505 325 CL  CL  A . 
G 3 CL  1  506 326 CL  CL  A . 
H 3 CL  1  507 327 CL  CL  A . 
I 3 CL  1  508 328 CL  CL  A . 
J 4 NA  1  509 1   NA  NA  A . 
K 4 NA  1  510 2   NA  NA  A . 
L 4 NA  1  511 3   NA  NA  A . 
M 5 HOH 1  601 24  HOH HOH A . 
M 5 HOH 2  602 1   HOH HOH A . 
M 5 HOH 3  603 111 HOH HOH A . 
M 5 HOH 4  604 75  HOH HOH A . 
M 5 HOH 5  605 42  HOH HOH A . 
M 5 HOH 6  606 2   HOH HOH A . 
M 5 HOH 7  607 6   HOH HOH A . 
M 5 HOH 8  608 49  HOH HOH A . 
M 5 HOH 9  609 68  HOH HOH A . 
M 5 HOH 10 610 116 HOH HOH A . 
M 5 HOH 11 611 80  HOH HOH A . 
M 5 HOH 12 612 52  HOH HOH A . 
M 5 HOH 13 613 71  HOH HOH A . 
M 5 HOH 14 614 97  HOH HOH A . 
M 5 HOH 15 615 69  HOH HOH A . 
M 5 HOH 16 616 82  HOH HOH A . 
M 5 HOH 17 617 100 HOH HOH A . 
M 5 HOH 18 618 35  HOH HOH A . 
M 5 HOH 19 619 13  HOH HOH A . 
M 5 HOH 20 620 101 HOH HOH A . 
M 5 HOH 21 621 104 HOH HOH A . 
M 5 HOH 22 622 40  HOH HOH A . 
M 5 HOH 23 623 12  HOH HOH A . 
M 5 HOH 24 624 119 HOH HOH A . 
M 5 HOH 25 625 45  HOH HOH A . 
M 5 HOH 26 626 90  HOH HOH A . 
M 5 HOH 27 627 23  HOH HOH A . 
M 5 HOH 28 628 95  HOH HOH A . 
M 5 HOH 29 629 29  HOH HOH A . 
M 5 HOH 30 630 39  HOH HOH A . 
M 5 HOH 31 631 4   HOH HOH A . 
M 5 HOH 32 632 72  HOH HOH A . 
M 5 HOH 33 633 9   HOH HOH A . 
M 5 HOH 34 634 87  HOH HOH A . 
M 5 HOH 35 635 77  HOH HOH A . 
M 5 HOH 36 636 120 HOH HOH A . 
M 5 HOH 37 637 102 HOH HOH A . 
M 5 HOH 38 638 115 HOH HOH A . 
M 5 HOH 39 639 59  HOH HOH A . 
M 5 HOH 40 640 60  HOH HOH A . 
M 5 HOH 41 641 47  HOH HOH A . 
M 5 HOH 42 642 103 HOH HOH A . 
M 5 HOH 43 643 83  HOH HOH A . 
M 5 HOH 44 644 66  HOH HOH A . 
M 5 HOH 45 645 114 HOH HOH A . 
M 5 HOH 46 646 89  HOH HOH A . 
M 5 HOH 47 647 108 HOH HOH A . 
M 5 HOH 48 648 58  HOH HOH A . 
M 5 HOH 49 649 36  HOH HOH A . 
M 5 HOH 50 650 121 HOH HOH A . 
M 5 HOH 51 651 84  HOH HOH A . 
M 5 HOH 52 652 22  HOH HOH A . 
M 5 HOH 53 653 54  HOH HOH A . 
M 5 HOH 54 654 91  HOH HOH A . 
M 5 HOH 55 655 15  HOH HOH A . 
M 5 HOH 56 656 27  HOH HOH A . 
M 5 HOH 57 657 7   HOH HOH A . 
M 5 HOH 58 658 78  HOH HOH A . 
M 5 HOH 59 659 113 HOH HOH A . 
M 5 HOH 60 660 3   HOH HOH A . 
M 5 HOH 61 661 5   HOH HOH A . 
M 5 HOH 62 662 31  HOH HOH A . 
M 5 HOH 63 663 118 HOH HOH A . 
M 5 HOH 64 664 32  HOH HOH A . 
M 5 HOH 65 665 8   HOH HOH A . 
M 5 HOH 66 666 94  HOH HOH A . 
M 5 HOH 67 667 117 HOH HOH A . 
M 5 HOH 68 668 28  HOH HOH A . 
M 5 HOH 69 669 76  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                     9DPX 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     71.289 
_cell.length_a_esd                 ? 
_cell.length_b                     71.289 
_cell.length_b_esd                 ? 
_cell.length_c                     146.379 
_cell.length_c_esd                 ? 
_cell.volume                       743915.866 
_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                         9DPX 
_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                   9DPX 
_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             3.82 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          67.79 
_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              4 
_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 , 0.1M Acetic Acid pH 4, 32% Glycerol' 
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            293 
# 
_diffrn.ambient_environment              ? 
_diffrn.ambient_temp                     100 
_diffrn.ambient_temp_details             ? 
_diffrn.ambient_temp_esd                 ? 
_diffrn.crystal_id                       1 
_diffrn.crystal_support                  ? 
_diffrn.crystal_treatment                ? 
_diffrn.details                          ? 
_diffrn.id                               1 
_diffrn.ambient_pressure                 ? 
_diffrn.ambient_pressure_esd             ? 
_diffrn.ambient_pressure_gt              ? 
_diffrn.ambient_pressure_lt              ? 
_diffrn.ambient_temp_gt                  ? 
_diffrn.ambient_temp_lt                  ? 
_diffrn.pdbx_serial_crystal_experiment   N 
# 
_diffrn_detector.details                      ? 
_diffrn_detector.detector                     PIXEL 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         'DECTRIS 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         2022-10-18 
_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                          42.04 
_reflns.entry_id                                       9DPX 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              2.10 
_reflns.d_resolution_low                               64.09 
_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                                     11416 
_reflns.observed_criterion                             ? 
_reflns.observed_criterion_F_max                       ? 
_reflns.observed_criterion_F_min                       ? 
_reflns.observed_criterion_I_max                       ? 
_reflns.observed_criterion_I_min                       ? 
_reflns.observed_criterion_sigma_F                     ? 
_reflns.observed_criterion_sigma_I                     ? 
_reflns.percent_possible_obs                           100.0 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                24.9 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          8.5 
_reflns.pdbx_res_netI_over_av_sigmaI_2                 ? 
_reflns.pdbx_res_netI_over_sigmaI_2                    ? 
_reflns.pdbx_chi_squared                               1.01 
_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                                0.276 
_reflns.pdbx_Rpim_I_all                                0.075 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       ? 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   0.938 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              0.265 
_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                                    2.10 
_reflns_shell.d_res_low                                     2.16 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           2.2 
_reflns_shell.number_measured_all                           ? 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             913 
_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                               2.2 
_reflns_shell.pdbx_chi_squared                              1.05 
_reflns_shell.pdbx_netI_over_sigmaI_all                     ? 
_reflns_shell.pdbx_netI_over_sigmaI_obs                     ? 
_reflns_shell.pdbx_Rrim_I_all                               3.520 
_reflns_shell.pdbx_Rpim_I_all                               0.949 
_reflns_shell.pdbx_rejects                                  ? 
_reflns_shell.pdbx_ordinal                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  0.909 
_reflns_shell.pdbx_CC_star                                  ? 
_reflns_shell.pdbx_R_split                                  ? 
_reflns_shell.percent_possible_all                          100.0 
_reflns_shell.Rmerge_I_all                                  ? 
_reflns_shell.Rmerge_I_obs                                  3.389 
_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                               61.67 
_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                                 9DPX 
_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                            2.10 
_refine.ls_d_res_low                             64.09 
_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                     11353 
_refine.ls_number_reflns_R_free                  578 
_refine.ls_number_reflns_R_work                  10775 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.58 
_refine.ls_percent_reflns_R_free                 5.09 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.2296 
_refine.ls_R_factor_R_free                       0.2675 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.2275 
_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                          1.10 
_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                 35.2998 
_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                            0.2397 
_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                       2.10 
_refine_hist.d_res_low                        64.09 
_refine_hist.number_atoms_solvent             69 
_refine_hist.number_atoms_total               920 
_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        830 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         21 
_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' ? 0.0164  ? 867  ? f_bond_d           ? ? 
'X-RAY DIFFRACTION' ? 1.6295  ? 1175 ? f_angle_d          ? ? 
'X-RAY DIFFRACTION' ? 0.0958  ? 128  ? f_chiral_restr     ? ? 
'X-RAY DIFFRACTION' ? 0.0147  ? 147  ? f_plane_restr      ? ? 
'X-RAY DIFFRACTION' ? 13.6414 ? 318  ? 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' 2.10 2.31  . . 139 2610 99.13 . . . . 0.2630 . . . . . . . . . . . 0.3070 
'X-RAY DIFFRACTION' 2.31 2.65  . . 145 2655 99.61 . . . . 0.2724 . . . . . . . . . . . 0.3086 
'X-RAY DIFFRACTION' 2.65 3.33  . . 130 2688 99.65 . . . . 0.2359 . . . . . . . . . . . 0.2661 
'X-RAY DIFFRACTION' 3.34 64.09 . . 164 2822 99.90 . . . . 0.2106 . . . . . . . . . . . 0.2561 
# 
_struct.entry_id                     9DPX 
_struct.title                        'BMP-9 G389S K357R Dimer 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        9DPX 
_struct_keywords.text            'SIGNALING PROTEIN, BMP, bone morphogenetic protein, TGF-beta family' 
_struct_keywords.pdbx_keywords   'SIGNALING PROTEIN' 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 2 ? 
C N N 2 ? 
D N N 3 ? 
E N N 3 ? 
F N N 3 ? 
G N N 3 ? 
H N N 3 ? 
I N N 3 ? 
J N N 4 ? 
K N N 4 ? 
L N N 4 ? 
M 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              9DPX 
_struct_ref_seq.pdbx_strand_id                A 
_struct_ref_seq.seq_align_beg                 1 
_struct_ref_seq.pdbx_seq_align_beg_ins_code   ? 
_struct_ref_seq.seq_align_end                 110 
_struct_ref_seq.pdbx_seq_align_end_ins_code   ? 
_struct_ref_seq.pdbx_db_accession             Q9UK05 
_struct_ref_seq.db_align_beg                  320 
_struct_ref_seq.pdbx_db_align_beg_ins_code    ? 
_struct_ref_seq.db_align_end                  429 
_struct_ref_seq.pdbx_db_align_end_ins_code    ? 
_struct_ref_seq.pdbx_auth_seq_align_beg       320 
_struct_ref_seq.pdbx_auth_seq_align_end       429 
# 
loop_
_struct_ref_seq_dif.align_id 
_struct_ref_seq_dif.pdbx_pdb_id_code 
_struct_ref_seq_dif.mon_id 
_struct_ref_seq_dif.pdbx_pdb_strand_id 
_struct_ref_seq_dif.seq_num 
_struct_ref_seq_dif.pdbx_pdb_ins_code 
_struct_ref_seq_dif.pdbx_seq_db_name 
_struct_ref_seq_dif.pdbx_seq_db_accession_code 
_struct_ref_seq_dif.db_mon_id 
_struct_ref_seq_dif.pdbx_seq_db_seq_num 
_struct_ref_seq_dif.details 
_struct_ref_seq_dif.pdbx_auth_seq_num 
_struct_ref_seq_dif.pdbx_ordinal 
1 9DPX SER A 2  ? UNP Q9UK05 ALA 321 'engineered mutation' 321 1 
1 9DPX ARG A 38 ? UNP Q9UK05 LYS 357 'engineered mutation' 357 2 
1 9DPX SER A 70 ? UNP Q9UK05 GLY 389 'engineered mutation' 389 3 
# 
_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 
1 2 A,B,C,D,E,F,G,H,I,J,K,L,M 
# 
_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 by sds gel.' 
# 
loop_
_pdbx_struct_oper_list.id 
_pdbx_struct_oper_list.type 
_pdbx_struct_oper_list.name 
_pdbx_struct_oper_list.symmetry_operation 
_pdbx_struct_oper_list.matrix[1][1] 
_pdbx_struct_oper_list.matrix[1][2] 
_pdbx_struct_oper_list.matrix[1][3] 
_pdbx_struct_oper_list.vector[1] 
_pdbx_struct_oper_list.matrix[2][1] 
_pdbx_struct_oper_list.matrix[2][2] 
_pdbx_struct_oper_list.matrix[2][3] 
_pdbx_struct_oper_list.vector[2] 
_pdbx_struct_oper_list.matrix[3][1] 
_pdbx_struct_oper_list.matrix[3][2] 
_pdbx_struct_oper_list.matrix[3][3] 
_pdbx_struct_oper_list.vector[3] 
1 'identity operation'         1_555 x,y,z           1.0000000000  0.0000000000 0.0000000000 0.0000000000  0.0000000000 
1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000  0.0000000000   
2 'crystal symmetry operation' 5_554 -x+1/2,y,-z-1/4 -1.0000000000 0.0000000000 0.0000000000 35.6445000000 0.0000000000 
1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -1.0000000000 -36.5947500000 
# 
_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  ? ? ? ? ? ? ? 2.110 ? ? 
disulf2 disulf ? ? A CYS 37 SG  ? ? ? 1_555 A CYS 107 SG ? ? A CYS 356 A CYS 426 1_555  ? ? ? ? ? ? ? 2.115 ? ? 
disulf3 disulf ? ? A CYS 41 SG  ? ? ? 1_555 A CYS 109 SG ? ? A CYS 360 A CYS 428 1_555  ? ? ? ? ? ? ? 2.061 ? ? 
disulf4 disulf ? ? A CYS 73 SG  B ? ? 1_555 A CYS 73  SG B ? A CYS 392 A CYS 392 5_554  ? ? ? ? ? ? ? 2.033 ? ? 
metalc1 metalc ? ? A ARG 14 O   ? ? ? 1_555 K NA  .   NA ? ? A ARG 333 A NA  510 1_555  ? ? ? ? ? ? ? 2.785 ? ? 
metalc2 metalc ? ? A THR 67 OG1 ? ? ? 1_555 J NA  .   NA ? ? A THR 386 A NA  509 1_555  ? ? ? ? ? ? ? 2.403 ? ? 
metalc3 metalc ? ? A TYR 97 OH  ? ? ? 1_555 L NA  .   NA ? ? A TYR 416 A NA  511 10_555 ? ? ? ? ? ? ? 2.617 ? ? 
metalc4 metalc ? ? K NA  .  NA  ? ? ? 1_555 M HOH .   O  ? ? A NA  510 A HOH 630 1_555  ? ? ? ? ? ? ? 2.886 ? ? 
metalc5 metalc ? ? L NA  .  NA  ? ? ? 1_555 M HOH .   O  ? ? A NA  511 A HOH 641 1_555  ? ? ? ? ? ? ? 2.971 ? ? 
# 
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 ARG 14 ? A ARG 333 ? 1_555 NA ? K NA . ? A NA 510 ? 1_555  O ? M HOH . ? A HOH 630 ? 1_555 87.9 ? 
2 OH ? A TYR 97 ? A TYR 416 ? 1_555 NA ? L NA . ? A NA 511 ? 10_555 O ? M HOH . ? A HOH 641 ? 1_555 70.6 ? 
# 
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 B CYS A 73  B CYS A 392 ? 1_555 CYS A 392 ? 5_554 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 -0.47 
2 PHE 43 A . ? PHE 362 A PRO 44 A ? PRO 363 A 1 3.02  
# 
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 ? ARG A 38  ? GLU A 355 ARG A 357 
AA2 1 ARG A 14 ? ASN A 16  ? ARG A 333 ASN A 335 
AA2 2 GLU A 31 ? GLU A 33  ? GLU A 350 GLU A 352 
AA3 1 ILE A 26 ? ALA A 28  ? ILE A 345 ALA A 347 
AA3 2 CYS A 74 ? LYS A 87  ? CYS A 393 LYS A 406 
AA3 3 PRO A 93 ? CYS A 109 ? PRO A 412 CYS A 428 
# 
loop_
_pdbx_struct_sheet_hbond.sheet_id 
_pdbx_struct_sheet_hbond.range_id_1 
_pdbx_struct_sheet_hbond.range_id_2 
_pdbx_struct_sheet_hbond.range_1_label_atom_id 
_pdbx_struct_sheet_hbond.range_1_label_comp_id 
_pdbx_struct_sheet_hbond.range_1_label_asym_id 
_pdbx_struct_sheet_hbond.range_1_label_seq_id 
_pdbx_struct_sheet_hbond.range_1_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_1_auth_atom_id 
_pdbx_struct_sheet_hbond.range_1_auth_comp_id 
_pdbx_struct_sheet_hbond.range_1_auth_asym_id 
_pdbx_struct_sheet_hbond.range_1_auth_seq_id 
_pdbx_struct_sheet_hbond.range_2_label_atom_id 
_pdbx_struct_sheet_hbond.range_2_label_comp_id 
_pdbx_struct_sheet_hbond.range_2_label_asym_id 
_pdbx_struct_sheet_hbond.range_2_label_seq_id 
_pdbx_struct_sheet_hbond.range_2_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_2_auth_atom_id 
_pdbx_struct_sheet_hbond.range_2_auth_comp_id 
_pdbx_struct_sheet_hbond.range_2_auth_asym_id 
_pdbx_struct_sheet_hbond.range_2_auth_seq_id 
AA1 1 2 N GLN A 9  ? N GLN A 328 O ARG A 38 ? O ARG A 357 
AA2 1 2 N VAL A 15 ? N VAL A 334 O TYR A 32 ? O TYR A 351 
AA3 1 2 N ALA A 28 ? N ALA A 347 O LEU A 85 ? O LEU A 404 
AA3 2 3 N TYR A 86 ? N TYR A 405 O THR A 94 ? O THR A 413 
# 
_pdbx_entry_details.entry_id                   9DPX 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.has_ligand_of_interest     N 
_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             54.80 
_pdbx_validate_torsion.psi             165.14 
# 
_pdbx_struct_special_symmetry.id              1 
_pdbx_struct_special_symmetry.PDB_model_num   1 
_pdbx_struct_special_symmetry.auth_asym_id    A 
_pdbx_struct_special_symmetry.auth_comp_id    CL 
_pdbx_struct_special_symmetry.auth_seq_id     505 
_pdbx_struct_special_symmetry.PDB_ins_code    ? 
_pdbx_struct_special_symmetry.label_asym_id   F 
_pdbx_struct_special_symmetry.label_comp_id   CL 
_pdbx_struct_special_symmetry.label_seq_id    . 
# 
loop_
_space_group_symop.id 
_space_group_symop.operation_xyz 
1  x,y,z                
2  -y+1/2,x,z+3/4       
3  y+1/2,-x,z+3/4       
4  x+1/2,-y,-z+3/4      
5  -x+1/2,y,-z+3/4      
6  -x,-y,z              
7  y,x,-z               
8  -y,-x,-z             
9  x+1/2,y+1/2,z+1/2    
10 -y+1,x+1/2,z+5/4     
11 y+1,-x+1/2,z+5/4     
12 x+1,-y+1/2,-z+5/4    
13 -x+1,y+1/2,-z+5/4    
14 -x+1/2,-y+1/2,z+1/2  
15 y+1/2,x+1/2,-z+1/2   
16 -y+1/2,-x+1/2,-z+1/2 
# 
loop_
_pdbx_refine_tls.id 
_pdbx_refine_tls.pdbx_refine_id 
_pdbx_refine_tls.details 
_pdbx_refine_tls.method 
_pdbx_refine_tls.origin_x 
_pdbx_refine_tls.origin_y 
_pdbx_refine_tls.origin_z 
_pdbx_refine_tls.T[1][1] 
_pdbx_refine_tls.T[1][1]_esd 
_pdbx_refine_tls.T[1][2] 
_pdbx_refine_tls.T[1][2]_esd 
_pdbx_refine_tls.T[1][3] 
_pdbx_refine_tls.T[1][3]_esd 
_pdbx_refine_tls.T[2][2] 
_pdbx_refine_tls.T[2][2]_esd 
_pdbx_refine_tls.T[2][3] 
_pdbx_refine_tls.T[2][3]_esd 
_pdbx_refine_tls.T[3][3] 
_pdbx_refine_tls.T[3][3]_esd 
_pdbx_refine_tls.L[1][1] 
_pdbx_refine_tls.L[1][1]_esd 
_pdbx_refine_tls.L[1][2] 
_pdbx_refine_tls.L[1][2]_esd 
_pdbx_refine_tls.L[1][3] 
_pdbx_refine_tls.L[1][3]_esd 
_pdbx_refine_tls.L[2][2] 
_pdbx_refine_tls.L[2][2]_esd 
_pdbx_refine_tls.L[2][3] 
_pdbx_refine_tls.L[2][3]_esd 
_pdbx_refine_tls.L[3][3] 
_pdbx_refine_tls.L[3][3]_esd 
_pdbx_refine_tls.S[1][1] 
_pdbx_refine_tls.S[1][1]_esd 
_pdbx_refine_tls.S[1][2] 
_pdbx_refine_tls.S[1][2]_esd 
_pdbx_refine_tls.S[1][3] 
_pdbx_refine_tls.S[1][3]_esd 
_pdbx_refine_tls.S[2][1] 
_pdbx_refine_tls.S[2][1]_esd 
_pdbx_refine_tls.S[2][2] 
_pdbx_refine_tls.S[2][2]_esd 
_pdbx_refine_tls.S[2][3] 
_pdbx_refine_tls.S[2][3]_esd 
_pdbx_refine_tls.S[3][1] 
_pdbx_refine_tls.S[3][1]_esd 
_pdbx_refine_tls.S[3][2] 
_pdbx_refine_tls.S[3][2]_esd 
_pdbx_refine_tls.S[3][3] 
_pdbx_refine_tls.S[3][3]_esd 
1 'X-RAY DIFFRACTION' ? refined 4.94657416651 13.4672304275 -30.1583451633 0.626256106478 ? -0.225947133623 ? -0.0653253105461 ? 
0.574703229821 ? 0.137224585247   ? 0.318739377486 ? 6.1053849945  ? 0.970302225654  ? 2.21943718814  ? 4.17390136541 ? 
-0.710085619136 ? 9.06883922268 ? -0.744967512862 ? 0.139556721842  ? 0.52699374127   ? -0.826336536305 ? 0.542771284985  ? 
0.586112958043   ? -0.921941384479  ? -0.966696633731 ? -0.0352294787328 ? 
2 'X-RAY DIFFRACTION' ? refined 19.1708291119 16.6832657638 -7.21567059919 0.38350741976  ? 0.151207866192  ? -0.0179662735235 ? 
0.491880095248 ? -0.0940298531745 ? 0.175037069164 ? 5.28676845988 ? -1.06152145148  ? 0.384424825277 ? 7.82383330037 ? 
2.1408110003    ? 9.72217940901 ? -0.290456385031 ? -0.526363966164 ? 0.25744643288   ? -0.248666138872 ? -0.228431825048 ? 
0.397620515893   ? -0.0604741634744 ? -0.898736959166 ? 0.451540858466   ? 
3 'X-RAY DIFFRACTION' ? refined 8.54598054923 3.48032653925 -31.6092636632 0.608035308148 ? -0.24880122482  ? 0.086286141551   ? 
0.493531375038 ? 0.00806668456374 ? 0.279182978424 ? 4.31842392008 ? 0.0704406542609 ? 2.83063208125  ? 3.92703275631 ? 
2.23585980267   ? 7.76387595293 ? -0.108952751984 ? 0.41710225506   ? -0.525045412778 ? -0.396533237853 ? 0.460974792611  ? 
-0.0660835859476 ? 1.19070965621    ? 0.340446318902  ? -0.317008262191  ? 
# 
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 69  A 392 ? ? 
;chain 'A' and (resid  358  through  392 )
;
3 'X-RAY DIFFRACTION' 3 A 70 A 393 ? A 106 A 429 ? ? 
;chain 'A' and (resid  393  through  429 )
;
# 
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          ? 
# 
_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                    9DPX 
_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]   0.014027 
_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]   0.014027 
_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]   0.006832 
_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    ? ? 0.51345 0.48472 ? ? 24.73122 6.32584  ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
N    ? ? 4.01032 2.96436 ? ? 19.97189 1.75589  ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
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.
;
? 
NA1+ ? ? 9.95753 ?       ? ? 4.19129  ?        ? ? 0.0 
;1-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   ? 2.10600  18.58400 -8.61800  1.000 114.18449 ? 324 GLY A N    1 
ATOM   2    C  CA   . GLY A 1 5   ? 2.89100  18.90700 -7.44100  1.000 123.00877 ? 324 GLY A CA   1 
ATOM   3    C  C    . GLY A 1 5   ? 4.25700  19.47700 -7.77100  1.000 121.94193 ? 324 GLY A C    1 
ATOM   4    O  O    . GLY A 1 5   ? 5.17500  19.42000 -6.95100  1.000 127.81052 ? 324 GLY A O    1 
ATOM   5    H  HA2  . GLY A 1 5   ? 2.40300  19.54600 -6.89900  1.000 148.09545 ? 324 GLY A HA2  1 
ATOM   6    H  HA3  . GLY A 1 5   ? 3.00200  18.10700 -6.90400  1.000 148.09545 ? 324 GLY A HA3  1 
ATOM   7    N  N    . SER A 1 6   ? 4.38600  20.02100 -8.98200  1.000 121.20160 ? 325 SER A N    1 
ATOM   8    C  CA   . SER A 1 6   ? 5.61900  20.63400 -9.47600  1.000 116.55340 ? 325 SER A CA   1 
ATOM   9    C  C    . SER A 1 6   ? 6.79300  19.66000 -9.49500  1.000 112.74960 ? 325 SER A C    1 
ATOM   10   O  O    . SER A 1 6   ? 7.95300  20.08300 -9.52200  1.000 118.87935 ? 325 SER A O    1 
ATOM   11   C  CB   . SER A 1 6   ? 5.98400  21.88300 -8.66400  1.000 122.73622 ? 325 SER A CB   1 
ATOM   12   O  OG   . SER A 1 6   ? 7.19000  22.45900 -9.13400  1.000 124.24436 ? 325 SER A OG   1 
ATOM   13   H  H    . SER A 1 6   ? 3.74300  20.04400 -9.55200  1.000 145.92685 ? 325 SER A H    1 
ATOM   14   H  HA   . SER A 1 6   ? 5.44200  20.89500 -10.39300 1.000 140.34901 ? 325 SER A HA   1 
ATOM   15   H  HB2  . SER A 1 6   ? 5.26600  22.53300 -8.72400  1.000 147.76840 ? 325 SER A HB2  1 
ATOM   16   H  HB3  . SER A 1 6   ? 6.07700  21.64800 -7.72700  1.000 147.76840 ? 325 SER A HB3  1 
ATOM   17   H  HG   . SER A 1 6   ? 7.80000  21.88200 -9.12100  1.000 149.57817 ? 325 SER A HG   1 
ATOM   18   N  N    . HIS A 1 7   ? 6.51700  18.36000 -9.48400  1.000 73.42358  ? 326 HIS A N    1 
ATOM   19   C  CA   . HIS A 1 7   ? 7.56400  17.31200 -9.55100  1.000 62.97556  ? 326 HIS A CA   1 
ATOM   20   C  C    . HIS A 1 7   ? 7.59700  16.62900 -10.91800 1.000 54.56870  ? 326 HIS A C    1 
ATOM   21   O  O    . HIS A 1 7   ? 6.60400  16.68400 -11.65700 1.000 63.10805  ? 326 HIS A O    1 
ATOM   22   C  CB   . HIS A 1 7   ? 7.41800  16.32800 -8.39200  1.000 60.33752  ? 326 HIS A CB   1 
ATOM   23   C  CG   . HIS A 1 7   ? 8.08600  16.84000 -7.16400  1.000 66.80982  ? 326 HIS A CG   1 
ATOM   24   N  ND1  . HIS A 1 7   ? 9.43600  16.69100 -6.93700  1.000 67.15020  ? 326 HIS A ND1  1 
ATOM   25   C  CD2  . HIS A 1 7   ? 7.61000  17.52700 -6.12200  1.000 76.90589  ? 326 HIS A CD2  1 
ATOM   26   C  CE1  . HIS A 1 7   ? 9.74800  17.25900 -5.78400  1.000 76.52128  ? 326 HIS A CE1  1 
ATOM   27   N  NE2  . HIS A 1 7   ? 8.65400  17.77100 -5.27100  1.000 78.31361  ? 326 HIS A NE2  1 
ATOM   28   H  H    . HIS A 1 7   ? 5.71700  18.04800 -9.43800  1.000 88.59323  ? 326 HIS A H    1 
ATOM   29   H  HA   . HIS A 1 7   ? 8.42900  17.73800 -9.45100  1.000 76.05561  ? 326 HIS A HA   1 
ATOM   30   H  HB2  . HIS A 1 7   ? 6.47700  16.17400 -8.21100  1.000 70.25459  ? 326 HIS A HB2  1 
ATOM   31   H  HB3  . HIS A 1 7   ? 7.80300  15.47300 -8.64000  1.000 70.25459  ? 326 HIS A HB3  1 
ATOM   32   H  HD1  . HIS A 1 7   ? 9.98800  16.29200 -7.46200  1.000 81.06517  ? 326 HIS A HD1  1 
ATOM   33   H  HD2  . HIS A 1 7   ? 6.72700  17.79200 -5.99700  1.000 92.77201  ? 326 HIS A HD2  1 
ATOM   34   H  HE1  . HIS A 1 7   ? 10.59600 17.29000 -5.40300  1.000 92.31047  ? 326 HIS A HE1  1 
ATOM   35   N  N    . CYS A 1 8   ? 8.72800  16.02100 -11.24000 1.000 50.87511  ? 327 CYS A N    1 
ATOM   36   C  CA   . CYS A 1 8   ? 8.92900  15.29100 -12.48200 1.000 50.55294  ? 327 CYS A CA   1 
ATOM   37   C  C    . CYS A 1 8   ? 7.80300  14.30200 -12.80600 1.000 46.33053  ? 327 CYS A C    1 
ATOM   38   O  O    . CYS A 1 8   ? 7.51800  13.42300 -12.01200 1.000 60.21137  ? 327 CYS A O    1 
ATOM   39   C  CB   . CYS A 1 8   ? 10.27400 14.58500 -12.38300 1.000 53.67137  ? 327 CYS A CB   1 
ATOM   40   S  SG   . CYS A 1 8   ? 10.70600 13.68500 -13.87500 1.000 51.94943  ? 327 CYS A SG   1 
ATOM   41   H  H    . CYS A 1 8   ? 9.41900  16.02100 -10.72900 1.000 58.62547  ? 327 CYS A H    1 
ATOM   42   H  HA   . CYS A 1 8   ? 8.91800  15.92300 -13.21800 1.000 61.14846  ? 327 CYS A HA   1 
ATOM   43   H  HB2  . CYS A 1 8   ? 10.96400 15.24000 -12.19500 1.000 64.89058  ? 327 CYS A HB2  1 
ATOM   44   H  HB3  . CYS A 1 8   ? 10.25600 13.96900 -11.63400 1.000 64.89058  ? 327 CYS A HB3  1 
ATOM   45   N  N    . GLN A 1 9   ? 7.13000  14.55500 -13.92700 1.000 45.19162  ? 328 GLN A N    1 
ATOM   46   C  CA   . GLN A 1 9   ? 5.97500  13.71000 -14.30000 1.000 50.40851  ? 328 GLN A CA   1 
ATOM   47   C  C    . GLN A 1 9   ? 5.67700  13.69700 -15.80000 1.000 43.23447  ? 328 GLN A C    1 
ATOM   48   O  O    . GLN A 1 9   ? 6.14400  14.58700 -16.51500 1.000 47.22167  ? 328 GLN A O    1 
ATOM   49   C  CB   . GLN A 1 9   ? 4.71300  14.22000 -13.60600 1.000 49.58009  ? 328 GLN A CB   1 
ATOM   50   C  CG   . GLN A 1 9   ? 4.37000  15.66100 -13.94400 1.000 61.05746  ? 328 GLN A CG   1 
ATOM   51   C  CD   . GLN A 1 9   ? 3.17400  16.14800 -13.16600 1.000 91.17465  ? 328 GLN A CD   1 
ATOM   52   O  OE1  . GLN A 1 9   ? 2.10200  15.55100 -13.20100 1.000 93.03978  ? 328 GLN A OE1  1 
ATOM   53   N  NE2  . GLN A 1 9   ? 3.35300  17.24600 -12.45000 1.000 96.70257  ? 328 GLN A NE2  1 
ATOM   54   H  H    . GLN A 1 9   ? 7.31200  15.19100 -14.47700 1.000 51.80527  ? 328 GLN A H    1 
ATOM   55   H  HA   . GLN A 1 9   ? 6.21500  12.81100 -14.02500 1.000 60.97515  ? 328 GLN A HA   1 
ATOM   56   H  HB2  . GLN A 1 9   ? 3.96600  13.65200 -13.85200 1.000 57.07144  ? 328 GLN A HB2  1 
ATOM   57   H  HB3  . GLN A 1 9   ? 4.82600  14.14000 -12.64600 1.000 57.07144  ? 328 GLN A HB3  1 
ATOM   58   H  HG2  . GLN A 1 9   ? 5.13300  16.22900 -13.75300 1.000 73.75388  ? 328 GLN A HG2  1 
ATOM   59   H  HG3  . GLN A 1 9   ? 4.19100  15.73700 -14.89400 1.000 73.75388  ? 328 GLN A HG3  1 
ATOM   60   H  HE21 . GLN A 1 9   ? 4.11800  17.63900 -12.44900 1.000 116.52801 ? 328 GLN A HE21 1 
ATOM   61   H  HE22 . GLN A 1 9   ? 2.70400  17.56700 -11.98600 1.000 116.52801 ? 328 GLN A HE22 1 
ATOM   62   N  N    . LYS A 1 10  ? 4.91000  12.70800 -16.22300 1.000 50.27966  ? 329 LYS A N    1 
ATOM   63   C  CA   . LYS A 1 10  ? 4.45700  12.56800 -17.58400 1.000 52.06608  ? 329 LYS A CA   1 
ATOM   64   C  C    . LYS A 1 10  ? 3.33800  13.55100 -17.92100 1.000 50.00493  ? 329 LYS A C    1 
ATOM   65   O  O    . LYS A 1 10  ? 2.44400  13.75700 -17.10900 1.000 61.86487  ? 329 LYS A O    1 
ATOM   66   C  CB   . LYS A 1 10  ? 4.01600  11.13700 -17.76000 1.000 54.40878  ? 329 LYS A CB   1 
ATOM   67   C  CG   . LYS A 1 10  ? 3.96000  10.70900 -19.17000 1.000 55.66730  ? 329 LYS A CG   1 
ATOM   68   C  CD   . LYS A 1 10  ? 3.78000  9.18700  -19.30500 1.000 54.89119  ? 329 LYS A CD   1 
ATOM   69   C  CE   . LYS A 1 10  ? 2.37700  8.74200  -19.11900 1.000 67.19935  ? 329 LYS A CE   1 
ATOM   70   N  NZ   . LYS A 1 10  ? 2.01000  7.76800  -20.20200 1.000 84.58953  ? 329 LYS A NZ   1 
ATOM   71   H  H    . LYS A 1 10  ? 4.63100  12.08000 -15.70500 1.000 60.82053  ? 329 LYS A H    1 
ATOM   72   H  HA   . LYS A 1 10  ? 5.17700  12.77900 -18.19900 1.000 62.96423  ? 329 LYS A HA   1 
ATOM   73   H  HB2  . LYS A 1 10  ? 4.62500  10.55700 -17.27700 1.000 65.77547  ? 329 LYS A HB2  1 
ATOM   74   H  HB3  . LYS A 1 10  ? 3.13900  11.02400 -17.36000 1.000 65.77547  ? 329 LYS A HB3  1 
ATOM   75   H  HG2  . LYS A 1 10  ? 3.22600  11.16100 -19.61500 1.000 67.28569  ? 329 LYS A HG2  1 
ATOM   76   H  HG3  . LYS A 1 10  ? 4.77500  10.97900 -19.62100 1.000 67.28569  ? 329 LYS A HG3  1 
ATOM   77   H  HD2  . LYS A 1 10  ? 4.08700  8.90800  -20.18200 1.000 66.35437  ? 329 LYS A HD2  1 
ATOM   78   H  HD3  . LYS A 1 10  ? 4.34300  8.74200  -18.65200 1.000 66.35437  ? 329 LYS A HD3  1 
ATOM   79   H  HE2  . LYS A 1 10  ? 2.27200  8.32700  -18.24900 1.000 81.12415  ? 329 LYS A HE2  1 
ATOM   80   H  HE3  . LYS A 1 10  ? 1.78000  9.50600  -19.14200 1.000 81.12415  ? 329 LYS A HE3  1 
ATOM   81   H  HZ1  . LYS A 1 10  ? 1.39300  7.20300  -19.89700 1.000 101.99237 ? 329 LYS A HZ1  1 
ATOM   82   H  HZ2  . LYS A 1 10  ? 1.68600  8.21100  -20.90300 1.000 101.99237 ? 329 LYS A HZ2  1 
ATOM   83   H  HZ3  . LYS A 1 10  ? 2.73300  7.31200  -20.44900 1.000 101.99237 ? 329 LYS A HZ3  1 
ATOM   84   N  N    . THR A 1 11  ? 3.44200  14.21800 -19.07900 1.000 44.44178  ? 330 THR A N    1 
ATOM   85   C  CA   . THR A 1 11  ? 2.45300  15.19800 -19.50500 1.000 53.93501  ? 330 THR A CA   1 
ATOM   86   C  C    . THR A 1 11  ? 2.32700  15.01600 -21.01100 1.000 46.67172  ? 330 THR A C    1 
ATOM   87   O  O    . THR A 1 11  ? 3.11100  14.30500 -21.62000 1.000 43.26832  ? 330 THR A O    1 
ATOM   88   C  CB   . THR A 1 11  ? 2.86600  16.62500 -19.23400 1.000 57.25691  ? 330 THR A CB   1 
ATOM   89   O  OG1  . THR A 1 11  ? 4.04800  16.87200 -20.01000 1.000 58.56704  ? 330 THR A OG1  1 
ATOM   90   C  CG2  . THR A 1 11  ? 3.19400  16.87900 -17.82400 1.000 68.12126  ? 330 THR A CG2  1 
ATOM   91   H  H    . THR A 1 11  ? 4.09000  14.11000 -19.63400 1.000 50.90548  ? 330 THR A H    1 
ATOM   92   H  HA   . THR A 1 11  ? 1.62900  15.05400 -19.01500 1.000 65.20695  ? 330 THR A HA   1 
ATOM   93   H  HB   . THR A 1 11  ? 2.12200  17.20300 -19.46400 1.000 69.19323  ? 330 THR A HB   1 
ATOM   94   H  HG1  . THR A 1 11  ? 4.55300  16.20200 -19.97200 1.000 70.76538  ? 330 THR A HG1  1 
ATOM   95   H  HG21 . THR A 1 11  ? 3.45100  17.80800 -17.71400 1.000 82.23044  ? 330 THR A HG21 1 
ATOM   96   H  HG22 . THR A 1 11  ? 2.41900  16.69000 -17.27200 1.000 82.23044  ? 330 THR A HG22 1 
ATOM   97   H  HG23 . THR A 1 11  ? 3.92900  16.30700 -17.55400 1.000 82.23044  ? 330 THR A HG23 1 
ATOM   98   N  N    . SER A 1 12  ? 1.30800  15.61600 -21.59400 1.000 53.87605  ? 331 SER A N    1 
ATOM   99   C  CA   . SER A 1 12  ? 0.94700  15.30200 -22.96500 1.000 55.23633  ? 331 SER A CA   1 
ATOM   100  C  C    . SER A 1 12  ? 1.92500  15.95900 -23.93500 1.000 49.70038  ? 331 SER A C    1 
ATOM   101  O  O    . SER A 1 12  ? 2.39300  17.06300 -23.68900 1.000 53.34103  ? 331 SER A O    1 
ATOM   102  C  CB   . SER A 1 12  ? -0.43800 15.80000 -23.27300 1.000 57.24221  ? 331 SER A CB   1 
ATOM   103  O  OG   . SER A 1 12  ? -0.76200 15.39200 -24.61500 1.000 79.88513  ? 331 SER A OG   1 
ATOM   104  H  H    . SER A 1 12  ? 0.81100  16.20800 -21.21600 1.000 65.13619  ? 331 SER A H    1 
ATOM   105  H  HA   . SER A 1 12  ? 0.97800  14.33800 -23.06700 1.000 66.76853  ? 331 SER A HA   1 
ATOM   106  H  HB2  . SER A 1 12  ? -1.07900 15.43500 -22.64300 1.000 69.17559  ? 331 SER A HB2  1 
ATOM   107  H  HB3  . SER A 1 12  ? -0.47800 16.76600 -23.19200 1.000 69.17559  ? 331 SER A HB3  1 
ATOM   108  H  HG   . SER A 1 12  ? -0.28000 14.74000 -24.83400 1.000 96.34709  ? 331 SER A HG   1 
ATOM   109  N  N    . LEU A 1 13  ? 2.27700  15.25300 -25.00600 1.000 48.62276  ? 332 LEU A N    1 
ATOM   110  C  CA   . LEU A 1 13  ? 2.98200  15.87500 -26.11600 1.000 45.34630  ? 332 LEU A CA   1 
ATOM   111  C  C    . LEU A 1 13  ? 2.55100  15.18800 -27.40000 1.000 47.97655  ? 332 LEU A C    1 
ATOM   112  O  O    . LEU A 1 13  ? 2.98600  14.08000 -27.66800 1.000 46.97722  ? 332 LEU A O    1 
ATOM   113  C  CB   . LEU A 1 13  ? 4.48900  15.71600 -25.95500 1.000 46.76959  ? 332 LEU A CB   1 
ATOM   114  C  CG   . LEU A 1 13  ? 5.31700  16.32800 -27.08600 1.000 45.22518  ? 332 LEU A CG   1 
ATOM   115  C  CD1  . LEU A 1 13  ? 5.08100  17.77800 -27.15700 1.000 46.00903  ? 332 LEU A CD1  1 
ATOM   116  C  CD2  . LEU A 1 13  ? 6.80300  16.07200 -26.90500 1.000 46.30674  ? 332 LEU A CD2  1 
ATOM   117  H  H    . LEU A 1 13  ? 2.11600  14.41400 -25.10700 1.000 58.83225  ? 332 LEU A H    1 
ATOM   118  H  HA   . LEU A 1 13  ? 2.77000  16.82100 -26.13800 1.000 51.99090  ? 332 LEU A HA   1 
ATOM   119  H  HB2  . LEU A 1 13  ? 4.75800  16.12300 -25.11600 1.000 56.60844  ? 332 LEU A HB2  1 
ATOM   120  H  HB3  . LEU A 1 13  ? 4.69800  14.77100 -25.89200 1.000 56.60844  ? 332 LEU A HB3  1 
ATOM   121  H  HG   . LEU A 1 13  ? 5.03500  15.90300 -27.91100 1.000 54.75515  ? 332 LEU A HG   1 
ATOM   122  H  HD11 . LEU A 1 13  ? 5.61000  18.15700 -27.87600 1.000 54.84490  ? 332 LEU A HD11 1 
ATOM   123  H  HD12 . LEU A 1 13  ? 4.14000  17.94500 -27.32500 1.000 54.84490  ? 332 LEU A HD12 1 
ATOM   124  H  HD13 . LEU A 1 13  ? 5.33700  18.18900 -26.31700 1.000 54.84490  ? 332 LEU A HD13 1 
ATOM   125  H  HD21 . LEU A 1 13  ? 7.29300  16.47400 -27.63900 1.000 56.05302  ? 332 LEU A HD21 1 
ATOM   126  H  HD22 . LEU A 1 13  ? 7.09900  16.46200 -26.06800 1.000 56.05302  ? 332 LEU A HD22 1 
ATOM   127  H  HD23 . LEU A 1 13  ? 6.96800  15.11600 -26.89200 1.000 56.05302  ? 332 LEU A HD23 1 
ATOM   128  N  N    . ARG A 1 14  ? 1.66800  15.83500 -28.13800 1.000 57.57035  ? 333 ARG A N    1 
ATOM   129  C  CA   . ARG A 1 14  ? 1.23300  15.36900 -29.45300 1.000 69.20937  ? 333 ARG A CA   1 
ATOM   130  C  C    . ARG A 1 14  ? 2.22000  15.74500 -30.55600 1.000 58.86584  ? 333 ARG A C    1 
ATOM   131  O  O    . ARG A 1 14  ? 2.43100  16.92300 -30.79200 1.000 61.86464  ? 333 ARG A O    1 
ATOM   132  C  CB   . ARG A 1 14  ? -0.10700 15.99700 -29.79000 1.000 74.05922  ? 333 ARG A CB   1 
ATOM   133  C  CG   . ARG A 1 14  ? -1.23200 15.54700 -28.87800 1.000 80.82979  ? 333 ARG A CG   1 
ATOM   134  C  CD   . ARG A 1 14  ? -2.57400 15.46800 -29.62400 1.000 101.12119 ? 333 ARG A CD   1 
ATOM   135  N  NE   . ARG A 1 14  ? -2.44100 14.78800 -30.91200 1.000 102.56527 ? 333 ARG A NE   1 
ATOM   136  C  CZ   . ARG A 1 14  ? -2.70200 13.49900 -31.13500 1.000 99.84823  ? 333 ARG A CZ   1 
ATOM   137  N  NH1  . ARG A 1 14  ? -2.91100 12.64800 -30.14200 1.000 96.72076  ? 333 ARG A NH1  1 
ATOM   138  N  NH2  . ARG A 1 14  ? -2.74600 13.05500 -32.39000 1.000 87.05654  ? 333 ARG A NH2  1 
ATOM   139  H  H    . ARG A 1 14  ? 1.29500  16.56900 -27.89000 1.000 69.56936  ? 333 ARG A H    1 
ATOM   140  H  HA   . ARG A 1 14  ? 1.17300  14.40200 -29.40900 1.000 83.53618  ? 333 ARG A HA   1 
ATOM   141  H  HB2  . ARG A 1 14  ? -0.02600 16.96200 -29.73900 1.000 89.35600  ? 333 ARG A HB2  1 
ATOM   142  H  HB3  . ARG A 1 14  ? -0.33700 15.77900 -30.70700 1.000 89.35600  ? 333 ARG A HB3  1 
ATOM   143  H  HG2  . ARG A 1 14  ? -1.01800 14.67800 -28.50500 1.000 97.48068  ? 333 ARG A HG2  1 
ATOM   144  H  HG3  . ARG A 1 14  ? -1.31100 16.16400 -28.13400 1.000 97.48068  ? 333 ARG A HG3  1 
ATOM   145  H  HD2  . ARG A 1 14  ? -3.22200 14.99800 -29.07600 1.000 121.83037 ? 333 ARG A HD2  1 
ATOM   146  H  HD3  . ARG A 1 14  ? -2.91900 16.36400 -29.76500 1.000 121.83037 ? 333 ARG A HD3  1 
ATOM   147  H  HE   . ARG A 1 14  ? -2.17200 15.25800 -31.58000 1.000 123.56325 ? 333 ARG A HE   1 
ATOM   148  H  HH11 . ARG A 1 14  ? -2.88000 12.92200 -29.32700 1.000 116.54985 ? 333 ARG A HH11 1 
ATOM   149  H  HH12 . ARG A 1 14  ? -3.07700 11.82200 -30.31200 1.000 116.54985 ? 333 ARG A HH12 1 
ATOM   150  H  HH21 . ARG A 1 14  ? -2.60700 13.59700 -33.04300 1.000 104.95278 ? 333 ARG A HH21 1 
ATOM   151  H  HH22 . ARG A 1 14  ? -2.91300 12.22600 -32.54700 1.000 104.95278 ? 333 ARG A HH22 1 
ATOM   152  N  N    . VAL A 1 15  ? 2.85000  14.74300 -31.17700 1.000 46.29103  ? 334 VAL A N    1 
ATOM   153  C  CA   . VAL A 1 15  ? 3.82500  14.95800 -32.22800 1.000 48.43680  ? 334 VAL A CA   1 
ATOM   154  C  C    . VAL A 1 15  ? 3.24500  14.73400 -33.63000 1.000 48.46037  ? 334 VAL A C    1 
ATOM   155  O  O    . VAL A 1 15  ? 2.66800  13.68400 -33.92500 1.000 58.17718  ? 334 VAL A O    1 
ATOM   156  C  CB   . VAL A 1 15  ? 4.99600  14.02500 -31.97500 1.000 43.70536  ? 334 VAL A CB   1 
ATOM   157  C  CG1  . VAL A 1 15  ? 5.98200  14.03400 -33.14000 1.000 52.32723  ? 334 VAL A CG1  1 
ATOM   158  C  CG2  . VAL A 1 15  ? 5.69200  14.39700 -30.68100 1.000 51.77245  ? 334 VAL A CG2  1 
ATOM   159  H  H    . VAL A 1 15  ? 2.71600  13.91400 -30.99200 1.000 54.74911  ? 334 VAL A H    1 
ATOM   160  H  HA   . VAL A 1 15  ? 4.11000  15.88500 -32.20500 1.000 58.60910  ? 334 VAL A HA   1 
ATOM   161  H  HB   . VAL A 1 15  ? 4.64800  13.12300 -31.89600 1.000 52.93137  ? 334 VAL A HB   1 
ATOM   162  H  HG11 . VAL A 1 15  ? 6.71600  13.43000 -32.94800 1.000 63.27761  ? 334 VAL A HG11 1 
ATOM   163  H  HG12 . VAL A 1 15  ? 5.53000  13.74600 -33.94900 1.000 63.27761  ? 334 VAL A HG12 1 
ATOM   164  H  HG13 . VAL A 1 15  ? 6.32700  14.93200 -33.26500 1.000 63.27761  ? 334 VAL A HG13 1 
ATOM   165  H  HG21 . VAL A 1 15  ? 6.43700  13.79500 -30.53000 1.000 62.61188  ? 334 VAL A HG21 1 
ATOM   166  H  HG22 . VAL A 1 15  ? 6.01900  15.30800 -30.74000 1.000 62.61188  ? 334 VAL A HG22 1 
ATOM   167  H  HG23 . VAL A 1 15  ? 5.06500  14.32600 -29.94400 1.000 62.61188  ? 334 VAL A HG23 1 
ATOM   168  N  N    . ASN A 1 16  ? 3.41200  15.74400 -34.48000 1.000 51.17787  ? 335 ASN A N    1 
ATOM   169  C  CA   . ASN A 1 16  ? 3.03500  15.67500 -35.89400 1.000 60.67888  ? 335 ASN A CA   1 
ATOM   170  C  C    . ASN A 1 16  ? 4.28900  15.38000 -36.71600 1.000 53.05848  ? 335 ASN A C    1 
ATOM   171  O  O    . ASN A 1 16  ? 5.28800  16.11400 -36.62800 1.000 52.95772  ? 335 ASN A O    1 
ATOM   172  C  CB   . ASN A 1 16  ? 2.37600  16.95000 -36.36000 1.000 58.47610  ? 335 ASN A CB   1 
ATOM   173  C  CG   . ASN A 1 16  ? 2.04800  16.87900 -37.87100 1.000 70.83838  ? 335 ASN A CG   1 
ATOM   174  O  OD1  . ASN A 1 16  ? 2.94600  16.93500 -38.74800 1.000 67.96592  ? 335 ASN A OD1  1 
ATOM   175  N  ND2  . ASN A 1 16  ? 0.76700  16.71700 -38.22900 1.000 69.14701  ? 335 ASN A ND2  1 
ATOM   176  H  H    . ASN A 1 16  ? 3.75200  16.50000 -34.25000 1.000 58.98878  ? 335 ASN A H    1 
ATOM   177  H  HA   . ASN A 1 16  ? 2.38400  14.96600 -36.01400 1.000 73.29958  ? 335 ASN A HA   1 
ATOM   178  H  HB2  . ASN A 1 16  ? 1.56200  17.10200 -35.85500 1.000 67.74665  ? 335 ASN A HB2  1 
ATOM   179  H  HB3  . ASN A 1 16  ? 2.96200  17.70400 -36.18700 1.000 67.74665  ? 335 ASN A HB3  1 
ATOM   180  H  HD21 . ASN A 1 16  ? 0.55800  16.65100 -39.06100 1.000 83.46134  ? 335 ASN A HD21 1 
ATOM   181  H  HD22 . ASN A 1 16  ? 0.15400  16.67900 -37.62700 1.000 83.46134  ? 335 ASN A HD22 1 
ATOM   182  N  N    . PHE A 1 17  ? 4.22700  14.30200 -37.50900 1.000 60.65500  ? 336 PHE A N    1 
ATOM   183  C  CA   . PHE A 1 17  ? 5.42200  13.78500 -38.15800 1.000 54.45425  ? 336 PHE A CA   1 
ATOM   184  C  C    . PHE A 1 17  ? 5.88600  14.72900 -39.26300 1.000 56.05872  ? 336 PHE A C    1 
ATOM   185  O  O    . PHE A 1 17  ? 7.07400  14.82500 -39.52900 1.000 60.71086  ? 336 PHE A O    1 
ATOM   186  C  CB   . PHE A 1 17  ? 5.22600  12.39500 -38.71500 1.000 63.62008  ? 336 PHE A CB   1 
ATOM   187  C  CG   . PHE A 1 17  ? 5.17500  11.30500 -37.67700 1.000 48.95160  ? 336 PHE A CG   1 
ATOM   188  C  CD1  . PHE A 1 17  ? 6.29100  10.99100 -36.92300 1.000 63.34607  ? 336 PHE A CD1  1 
ATOM   189  C  CD2  . PHE A 1 17  ? 4.02100  10.60100 -37.45400 1.000 53.07239  ? 336 PHE A CD2  1 
ATOM   190  C  CE1  . PHE A 1 17  ? 6.24100  9.99400  -35.95300 1.000 55.93134  ? 336 PHE A CE1  1 
ATOM   191  C  CE2  . PHE A 1 17  ? 3.96700  9.61700  -36.44600 1.000 52.43461  ? 336 PHE A CE2  1 
ATOM   192  C  CZ   . PHE A 1 17  ? 5.08000  9.29800  -35.74100 1.000 45.03794  ? 336 PHE A CZ   1 
ATOM   193  H  H    . PHE A 1 17  ? 3.50600  13.86400 -37.67800 1.000 73.27094  ? 336 PHE A H    1 
ATOM   194  H  HA   . PHE A 1 17  ? 6.10700  13.72800 -37.47300 1.000 65.83003  ? 336 PHE A HA   1 
ATOM   195  H  HB2  . PHE A 1 17  ? 4.40200  12.37700 -39.22600 1.000 76.82903  ? 336 PHE A HB2  1 
ATOM   196  H  HB3  . PHE A 1 17  ? 5.94800  12.20300 -39.33400 1.000 76.82903  ? 336 PHE A HB3  1 
ATOM   197  H  HD1  . PHE A 1 17  ? 7.08600  11.45200 -37.06600 1.000 76.50022  ? 336 PHE A HD1  1 
ATOM   198  H  HD2  . PHE A 1 17  ? 3.26800  10.77400 -37.97100 1.000 64.17180  ? 336 PHE A HD2  1 
ATOM   199  H  HE1  . PHE A 1 17  ? 6.99700  9.80000  -35.44800 1.000 67.60255  ? 336 PHE A HE1  1 
ATOM   200  H  HE2  . PHE A 1 17  ? 3.16400  9.18500  -36.26400 1.000 63.40647  ? 336 PHE A HE2  1 
ATOM   201  H  HZ   . PHE A 1 17  ? 5.05600  8.61000  -35.11600 1.000 54.53046  ? 336 PHE A HZ   1 
ATOM   202  N  N    . GLU A 1 18  ? 4.94800  15.46000 -39.86200 1.000 61.31405  ? 337 GLU A N    1 
ATOM   203  C  CA   . GLU A 1 18  ? 5.30000  16.43700 -40.86800 1.000 66.11121  ? 337 GLU A CA   1 
ATOM   204  C  C    . GLU A 1 18  ? 6.11900  17.56500 -40.24100 1.000 63.16833  ? 337 GLU A C    1 
ATOM   205  O  O    . GLU A 1 18  ? 7.14800  17.96900 -40.79000 1.000 64.71204  ? 337 GLU A O    1 
ATOM   206  C  CB   . GLU A 1 18  ? 4.05400  16.96300 -41.56000 1.000 67.55822  ? 337 GLU A CB   1 
ATOM   207  C  CG   . GLU A 1 18  ? 4.43500  17.95400 -42.64400 1.000 74.86587  ? 337 GLU A CG   1 
ATOM   208  C  CD   . GLU A 1 18  ? 3.28300  18.32400 -43.56300 1.000 87.33928  ? 337 GLU A CD   1 
ATOM   209  O  OE1  . GLU A 1 18  ? 2.43500  17.43600 -43.84300 1.000 90.83460  ? 337 GLU A OE1  1 
ATOM   210  O  OE2  . GLU A 1 18  ? 3.25200  19.49000 -44.03100 1.000 100.26974 ? 337 GLU A OE2  1 
ATOM   211  H  H    . GLU A 1 18  ? 4.10600  15.40100 -39.69600 1.000 74.06180  ? 337 GLU A H    1 
ATOM   212  H  HA   . GLU A 1 18  ? 5.84900  16.01200 -41.54500 1.000 79.81838  ? 337 GLU A HA   1 
ATOM   213  H  HB2  . GLU A 1 18  ? 3.55500  16.22600 -41.94700 1.000 78.64520  ? 337 GLU A HB2  1 
ATOM   214  H  HB3  . GLU A 1 18  ? 3.47200  17.39000 -40.91200 1.000 78.64520  ? 337 GLU A HB3  1 
ATOM   215  H  HG2  . GLU A 1 18  ? 4.77900  18.76000 -42.22800 1.000 90.32397  ? 337 GLU A HG2  1 
ATOM   216  H  HG3  . GLU A 1 18  ? 5.15500  17.58000 -43.17500 1.000 90.32397  ? 337 GLU A HG3  1 
ATOM   217  N  N    . ASP A 1 19  ? 5.67700  18.04600 -39.06600 1.000 71.93339  ? 338 ASP A N    1 
ATOM   218  C  CA   . ASP A 1 19  ? 6.37400  19.09500 -38.32300 1.000 74.59416  ? 338 ASP A CA   1 
ATOM   219  C  C    . ASP A 1 19  ? 7.85300  18.77100 -38.11500 1.000 64.44393  ? 338 ASP A C    1 
ATOM   220  O  O    . ASP A 1 19  ? 8.68400  19.68600 -38.06600 1.000 61.43162  ? 338 ASP A O    1 
ATOM   221  C  CB   . ASP A 1 19  ? 5.70000  19.32500 -36.95100 1.000 65.63455  ? 338 ASP A CB   1 
ATOM   222  C  CG   . ASP A 1 19  ? 4.40700  20.17300 -37.02400 1.000 75.27481  ? 338 ASP A CG   1 
ATOM   223  O  OD1  . ASP A 1 19  ? 4.13300  20.76200 -38.08600 1.000 75.59081  ? 338 ASP A OD1  1 
ATOM   224  O  OD2  . ASP A 1 19  ? 3.67400  20.21400 -36.00500 1.000 74.05288  ? 338 ASP A OD2  1 
ATOM   225  H  H    . ASP A 1 19  ? 4.96000  17.76700 -38.68200 1.000 86.80501  ? 338 ASP A H    1 
ATOM   226  H  HA   . ASP A 1 19  ? 6.31700  19.90300 -38.85700 1.000 89.99792  ? 338 ASP A HA   1 
ATOM   227  H  HB2  . ASP A 1 19  ? 5.49100  18.46500 -36.55500 1.000 79.24639  ? 338 ASP A HB2  1 
ATOM   228  H  HB3  . ASP A 1 19  ? 6.33100  19.76400 -36.35900 1.000 79.24639  ? 338 ASP A HB3  1 
ATOM   229  N  N    . ILE A 1 20  ? 8.20700  17.49100 -37.99000 1.000 56.65755  ? 339 ILE A N    1 
ATOM   230  C  CA   . ILE A 1 20  ? 9.58200  17.09600 -37.69100 1.000 68.46543  ? 339 ILE A CA   1 
ATOM   231  C  C    . ILE A 1 20  ? 10.26300 16.43700 -38.89300 1.000 64.51121  ? 339 ILE A C    1 
ATOM   232  O  O    . ILE A 1 20  ? 11.28500 15.77100 -38.73200 1.000 65.32080  ? 339 ILE A O    1 
ATOM   233  C  CB   . ILE A 1 20  ? 9.65900  16.18900 -36.44800 1.000 56.18101  ? 339 ILE A CB   1 
ATOM   234  C  CG1  . ILE A 1 20  ? 8.97000  14.84200 -36.67800 1.000 55.54774  ? 339 ILE A CG1  1 
ATOM   235  C  CG2  . ILE A 1 20  ? 9.04000  16.86800 -35.25500 1.000 69.89756  ? 339 ILE A CG2  1 
ATOM   236  C  CD1  . ILE A 1 20  ? 9.32900  13.80700 -35.64300 1.000 57.46294  ? 339 ILE A CD1  1 
ATOM   237  H  H    . ILE A 1 20  ? 7.66000  16.83300 -38.07600 1.000 68.47400  ? 339 ILE A H    1 
ATOM   238  H  HA   . ILE A 1 20  ? 10.06800 17.91200 -37.49200 1.000 82.64345  ? 339 ILE A HA   1 
ATOM   239  H  HB   . ILE A 1 20  ? 10.60000 16.02400 -36.27800 1.000 67.90215  ? 339 ILE A HB   1 
ATOM   240  H  HG12 . ILE A 1 20  ? 8.00900  14.97300 -36.67600 1.000 67.14222  ? 339 ILE A HG12 1 
ATOM   241  H  HG13 . ILE A 1 20  ? 9.21000  14.50900 -37.55700 1.000 67.14222  ? 339 ILE A HG13 1 
ATOM   242  H  HG21 . ILE A 1 20  ? 9.09800  16.28300 -34.48300 1.000 84.36201  ? 339 ILE A HG21 1 
ATOM   243  H  HG22 . ILE A 1 20  ? 9.51400  17.69400 -35.07000 1.000 84.36201  ? 339 ILE A HG22 1 
ATOM   244  H  HG23 . ILE A 1 20  ? 8.10900  17.06500 -35.44200 1.000 84.36201  ? 339 ILE A HG23 1 
ATOM   245  H  HD11 . ILE A 1 20  ? 8.86500  12.97800 -35.83900 1.000 69.44046  ? 339 ILE A HD11 1 
ATOM   246  H  HD12 . ILE A 1 20  ? 10.28600 13.65200 -35.65800 1.000 69.44046  ? 339 ILE A HD12 1 
ATOM   247  H  HD13 . ILE A 1 20  ? 9.06700  14.12300 -34.76400 1.000 69.44046  ? 339 ILE A HD13 1 
ATOM   248  N  N    . GLY A 1 21  ? 9.72600  16.61700 -40.09800 1.000 74.60511  ? 340 GLY A N    1 
ATOM   249  C  CA   . GLY A 1 21  ? 10.38900 16.11200 -41.28900 1.000 65.70286  ? 340 GLY A CA   1 
ATOM   250  C  C    . GLY A 1 21  ? 10.47700 14.60400 -41.38700 1.000 73.09326  ? 340 GLY A C    1 
ATOM   251  O  O    . GLY A 1 21  ? 11.44600 14.07900 -41.94400 1.000 73.01719  ? 340 GLY A O    1 
ATOM   252  H  H    . GLY A 1 21  ? 8.98400  17.02600 -40.24300 1.000 90.01106  ? 340 GLY A H    1 
ATOM   253  H  HA2  . GLY A 1 21  ? 9.91900  16.44600 -42.06900 1.000 79.32837  ? 340 GLY A HA2  1 
ATOM   254  H  HA3  . GLY A 1 21  ? 11.28700 16.47700 -41.32100 1.000 79.32837  ? 340 GLY A HA3  1 
ATOM   255  N  N    . TRP A 1 22  ? 9.48400  13.89200 -40.85800 1.000 60.04338  ? 341 TRP A N    1 
ATOM   256  C  CA   . TRP A 1 22  ? 9.42200  12.44100 -40.89900 1.000 55.44664  ? 341 TRP A CA   1 
ATOM   257  C  C    . TRP A 1 22  ? 8.30800  11.91000 -41.79700 1.000 61.93282  ? 341 TRP A C    1 
ATOM   258  O  O    . TRP A 1 22  ? 8.25400  10.71500 -42.05700 1.000 57.83907  ? 341 TRP A O    1 
ATOM   259  C  CB   . TRP A 1 22  ? 9.26300  11.90000 -39.45000 1.000 60.18742  ? 341 TRP A CB   1 
ATOM   260  C  CG   . TRP A 1 22  ? 10.55600 11.84000 -38.70500 1.000 52.42728  ? 341 TRP A CG   1 
ATOM   261  C  CD1  . TRP A 1 22  ? 11.67900 12.54800 -38.96400 1.000 71.64686  ? 341 TRP A CD1  1 
ATOM   262  C  CD2  . TRP A 1 22  ? 10.87800 10.95600 -37.67200 1.000 46.04747  ? 341 TRP A CD2  1 
ATOM   263  N  NE1  . TRP A 1 22  ? 12.67200 12.17900 -38.11200 1.000 48.63283  ? 341 TRP A NE1  1 
ATOM   264  C  CE2  . TRP A 1 22  ? 12.20600 11.20000 -37.30600 1.000 50.32560  ? 341 TRP A CE2  1 
ATOM   265  C  CE3  . TRP A 1 22  ? 10.15000 10.02500 -36.95300 1.000 48.86913  ? 341 TRP A CE3  1 
ATOM   266  C  CZ2  . TRP A 1 22  ? 12.81300 10.55100 -36.25600 1.000 47.75426  ? 341 TRP A CZ2  1 
ATOM   267  C  CZ3  . TRP A 1 22  ? 10.76900 9.34800  -35.93500 1.000 55.19963  ? 341 TRP A CZ3  1 
ATOM   268  C  CH2  . TRP A 1 22  ? 12.07600 9.62400  -35.58900 1.000 54.35399  ? 341 TRP A CH2  1 
ATOM   269  H  H    . TRP A 1 22  ? 8.81400  14.25200 -40.45700 1.000 72.53699  ? 341 TRP A H    1 
ATOM   270  H  HA   . TRP A 1 22  ? 10.25100 12.12300 -41.28900 1.000 64.11131  ? 341 TRP A HA   1 
ATOM   271  H  HB2  . TRP A 1 22  ? 8.64200  12.46600 -38.96500 1.000 72.70984  ? 341 TRP A HB2  1 
ATOM   272  H  HB3  . TRP A 1 22  ? 8.87200  11.01300 -39.48200 1.000 72.70984  ? 341 TRP A HB3  1 
ATOM   273  H  HD1  . TRP A 1 22  ? 11.76000 13.19400 -39.62900 1.000 86.46116  ? 341 TRP A HD1  1 
ATOM   274  H  HE1  . TRP A 1 22  ? 13.46400 12.51300 -38.09000 1.000 58.84433  ? 341 TRP A HE1  1 
ATOM   275  H  HE3  . TRP A 1 22  ? 9.25700  9.86200  -37.15700 1.000 59.12789  ? 341 TRP A HE3  1 
ATOM   276  H  HZ2  . TRP A 1 22  ? 13.69100 10.73900 -36.01300 1.000 57.79005  ? 341 TRP A HZ2  1 
ATOM   277  H  HZ3  . TRP A 1 22  ? 10.30100 8.69200  -35.47000 1.000 66.72449  ? 341 TRP A HZ3  1 
ATOM   278  H  HH2  . TRP A 1 22  ? 12.46300 9.16300  -34.88000 1.000 65.70972  ? 341 TRP A HH2  1 
ATOM   279  N  N    . ASP A 1 23  ? 7.42800  12.80700 -42.25100 1.000 60.25102  ? 342 ASP A N    1 
ATOM   280  C  CA   . ASP A 1 23  ? 6.33700  12.44100 -43.12600 1.000 71.42638  ? 342 ASP A CA   1 
ATOM   281  C  C    . ASP A 1 23  ? 6.81400  12.02100 -44.52200 1.000 76.85815  ? 342 ASP A C    1 
ATOM   282  O  O    . ASP A 1 23  ? 6.01800  11.51700 -45.29100 1.000 75.33361  ? 342 ASP A O    1 
ATOM   283  C  CB   . ASP A 1 23  ? 5.35700  13.62200 -43.24600 1.000 76.48125  ? 342 ASP A CB   1 
ATOM   284  C  CG   . ASP A 1 23  ? 5.94200  14.76100 -44.05200 1.000 92.08452  ? 342 ASP A CG   1 
ATOM   285  O  OD1  . ASP A 1 23  ? 7.03700  15.25200 -43.67800 1.000 83.45086  ? 342 ASP A OD1  1 
ATOM   286  O  OD2  . ASP A 1 23  ? 5.32100  15.13900 -45.07700 1.000 109.58711 ? 342 ASP A OD2  1 
ATOM   287  H  H    . ASP A 1 23  ? 7.45600  13.64400 -42.05400 1.000 72.51192  ? 342 ASP A H    1 
ATOM   288  H  HA   . ASP A 1 23  ? 5.89500  11.67300 -42.73200 1.000 86.19659  ? 342 ASP A HA   1 
ATOM   289  H  HB2  . ASP A 1 23  ? 4.53600  13.31900 -43.66400 1.000 92.26243  ? 342 ASP A HB2  1 
ATOM   290  H  HB3  . ASP A 1 23  ? 5.12400  13.94000 -42.36000 1.000 92.26243  ? 342 ASP A HB3  1 
ATOM   291  N  N    . SER A 1 24  ? 8.10000  12.22700 -44.85300 1.000 86.94307  ? 343 SER A N    1 
ATOM   292  C  CA   . SER A 1 24  ? 8.64400  11.65000 -46.07700 1.000 100.80341 ? 343 SER A CA   1 
ATOM   293  C  C    . SER A 1 24  ? 8.69000  10.12400 -45.99400 1.000 96.35554  ? 343 SER A C    1 
ATOM   294  O  O    . SER A 1 24  ? 8.62300  9.48200  -47.03300 1.000 89.87718  ? 343 SER A O    1 
ATOM   295  C  CB   . SER A 1 24  ? 10.03100 12.21300 -46.46000 1.000 104.24003 ? 343 SER A CB   1 
ATOM   296  O  OG   . SER A 1 24  ? 11.10200 11.85200 -45.59100 1.000 96.33560  ? 343 SER A OG   1 
ATOM   297  H  H    . SER A 1 24  ? 8.65700  12.68900 -44.38800 1.000 104.81662 ? 343 SER A H    1 
ATOM   298  H  HA   . SER A 1 24  ? 8.03500  11.91100 -46.78600 1.000 121.44903 ? 343 SER A HA   1 
ATOM   299  H  HB2  . SER A 1 24  ? 10.24800 11.91300 -47.35700 1.000 125.57297 ? 343 SER A HB2  1 
ATOM   300  H  HB3  . SER A 1 24  ? 9.97300  13.18100 -46.49100 1.000 125.57297 ? 343 SER A HB3  1 
ATOM   301  H  HG   . SER A 1 24  ? 11.81600 12.19500 -45.86900 1.000 116.08766 ? 343 SER A HG   1 
ATOM   302  N  N    . TRP A 1 25  ? 8.82800  9.53400  -44.78900 1.000 68.95427  ? 344 TRP A N    1 
ATOM   303  C  CA   . TRP A 1 25  ? 8.85600  8.08200  -44.73200 1.000 66.08646  ? 344 TRP A CA   1 
ATOM   304  C  C    . TRP A 1 25  ? 7.75500  7.49000  -43.86000 1.000 73.94379  ? 344 TRP A C    1 
ATOM   305  O  O    . TRP A 1 25  ? 7.28200  6.40600  -44.18500 1.000 74.69647  ? 344 TRP A O    1 
ATOM   306  C  CB   . TRP A 1 25  ? 10.22000 7.46400  -44.40500 1.000 65.32841  ? 344 TRP A CB   1 
ATOM   307  C  CG   . TRP A 1 25  ? 10.76000 7.76500  -43.04400 1.000 74.49369  ? 344 TRP A CG   1 
ATOM   308  C  CD1  . TRP A 1 25  ? 11.18600 8.97300  -42.57800 1.000 86.35710  ? 344 TRP A CD1  1 
ATOM   309  C  CD2  . TRP A 1 25  ? 10.97800 6.83000  -41.99600 1.000 66.57127  ? 344 TRP A CD2  1 
ATOM   310  N  NE1  . TRP A 1 25  ? 11.64000 8.85100  -41.28800 1.000 95.72635  ? 344 TRP A NE1  1 
ATOM   311  C  CE2  . TRP A 1 25  ? 11.52200 7.54700  -40.90100 1.000 82.01191  ? 344 TRP A CE2  1 
ATOM   312  C  CE3  . TRP A 1 25  ? 10.77100 5.46000  -41.87700 1.000 68.13739  ? 344 TRP A CE3  1 
ATOM   313  C  CZ2  . TRP A 1 25  ? 11.83900 6.94000  -39.69400 1.000 75.89076  ? 344 TRP A CZ2  1 
ATOM   314  C  CZ3  . TRP A 1 25  ? 11.07300 4.85500  -40.68000 1.000 75.66252  ? 344 TRP A CZ3  1 
ATOM   315  C  CH2  . TRP A 1 25  ? 11.60000 5.59200  -39.60200 1.000 76.44032  ? 344 TRP A CH2  1 
ATOM   316  H  H    . TRP A 1 25  ? 8.90300  9.94300  -44.03600 1.000 83.23006  ? 344 TRP A H    1 
ATOM   317  H  HA   . TRP A 1 25  ? 8.67400  7.82700  -45.65000 1.000 77.92134  ? 344 TRP A HA   1 
ATOM   318  H  HB2  . TRP A 1 25  ? 10.15200 6.50100  -44.50200 1.000 77.65889  ? 344 TRP A HB2  1 
ATOM   319  H  HB3  . TRP A 1 25  ? 10.86200 7.77100  -45.06400 1.000 77.65889  ? 344 TRP A HB3  1 
ATOM   320  H  HD1  . TRP A 1 25  ? 11.17100 9.76600  -43.06400 1.000 104.11345 ? 344 TRP A HD1  1 
ATOM   321  H  HE1  . TRP A 1 25  ? 11.94800 9.49100  -40.80300 1.000 115.35656 ? 344 TRP A HE1  1 
ATOM   322  H  HE3  . TRP A 1 25  ? 10.43600 4.96500  -42.59000 1.000 82.24980  ? 344 TRP A HE3  1 
ATOM   323  H  HZ2  . TRP A 1 25  ? 12.19500 7.42300  -38.98300 1.000 91.55385  ? 344 TRP A HZ2  1 
ATOM   324  H  HZ3  . TRP A 1 25  ? 10.92700 3.94200  -40.58000 1.000 91.27996  ? 344 TRP A HZ3  1 
ATOM   325  H  HH2  . TRP A 1 25  ? 11.79100 5.15300  -38.80500 1.000 92.21332  ? 344 TRP A HH2  1 
ATOM   326  N  N    . ILE A 1 26  ? 7.28900  8.21400  -42.83400 1.000 64.64845  ? 345 ILE A N    1 
ATOM   327  C  CA   . ILE A 1 26  ? 6.08700  7.79300  -42.12900 1.000 60.93640  ? 345 ILE A CA   1 
ATOM   328  C  C    . ILE A 1 26  ? 4.81200  8.32300  -42.77000 1.000 63.30241  ? 345 ILE A C    1 
ATOM   329  O  O    . ILE A 1 26  ? 4.56800  9.51900  -42.77800 1.000 70.70955  ? 345 ILE A O    1 
ATOM   330  C  CB   . ILE A 1 26  ? 6.15000  8.20700  -40.65200 1.000 60.43830  ? 345 ILE A CB   1 
ATOM   331  C  CG1  . ILE A 1 26  ? 7.25400  7.43200  -39.93100 1.000 51.90122  ? 345 ILE A CG1  1 
ATOM   332  C  CG2  . ILE A 1 26  ? 4.79700  7.98300  -39.98900 1.000 64.77027  ? 345 ILE A CG2  1 
ATOM   333  C  CD1  . ILE A 1 26  ? 7.38800  7.77300  -38.46600 1.000 74.10060  ? 345 ILE A CD1  1 
ATOM   334  H  H    . ILE A 1 26  ? 7.65100  8.93700  -42.54000 1.000 78.06307  ? 345 ILE A H    1 
ATOM   335  H  HA   . ILE A 1 26  ? 6.05600  6.82500  -42.18900 1.000 73.60862  ? 345 ILE A HA   1 
ATOM   336  H  HB   . ILE A 1 26  ? 6.36200  9.15200  -40.59500 1.000 73.01089  ? 345 ILE A HB   1 
ATOM   337  H  HG12 . ILE A 1 26  ? 7.07900  6.48200  -40.01800 1.000 62.66504  ? 345 ILE A HG12 1 
ATOM   338  H  HG13 . ILE A 1 26  ? 8.10000  7.60600  -40.37300 1.000 62.66504  ? 345 ILE A HG13 1 
ATOM   339  H  HG21 . ILE A 1 26  ? 4.84600  8.24700  -39.05700 1.000 78.20926  ? 345 ILE A HG21 1 
ATOM   340  H  HG22 . ILE A 1 26  ? 4.12300  8.51500  -40.44100 1.000 78.20926  ? 345 ILE A HG22 1 
ATOM   341  H  HG23 . ILE A 1 26  ? 4.56000  7.04400  -40.04700 1.000 78.20926  ? 345 ILE A HG23 1 
ATOM   342  H  HD11 . ILE A 1 26  ? 8.10300  7.24700  -38.07500 1.000 89.40566  ? 345 ILE A HD11 1 
ATOM   343  H  HD12 . ILE A 1 26  ? 7.59200  8.71700  -38.37100 1.000 89.40566  ? 345 ILE A HD12 1 
ATOM   344  H  HD13 . ILE A 1 26  ? 6.55500  7.57500  -38.01000 1.000 89.40566  ? 345 ILE A HD13 1 
ATOM   345  N  N    . ILE A 1 27  ? 4.00600  7.37300  -43.23600 1.000 65.84506  ? 346 ILE A N    1 
ATOM   346  C  CA   . ILE A 1 27  ? 2.78500  7.64300  -43.96900 1.000 71.19174  ? 346 ILE A CA   1 
ATOM   347  C  C    . ILE A 1 27  ? 1.64100  7.78400  -42.98500 1.000 71.60498  ? 346 ILE A C    1 
ATOM   348  O  O    . ILE A 1 27  ? 0.73500  8.58800  -43.19300 1.000 74.77886  ? 346 ILE A O    1 
ATOM   349  C  CB   . ILE A 1 27  ? 2.44600  6.45500  -44.91400 1.000 71.50498  ? 346 ILE A CB   1 
ATOM   350  C  CG1  . ILE A 1 27  ? 3.64200  5.96900  -45.71500 1.000 79.10019  ? 346 ILE A CG1  1 
ATOM   351  C  CG2  . ILE A 1 27  ? 1.25700  6.75500  -45.83800 1.000 83.07153  ? 346 ILE A CG2  1 
ATOM   352  C  CD1  . ILE A 1 27  ? 3.32900  4.54300  -46.32200 1.000 79.84422  ? 346 ILE A CD1  1 
ATOM   353  H  H    . ILE A 1 27  ? 4.16200  6.53400  -43.12900 1.000 79.49901  ? 346 ILE A H    1 
ATOM   354  H  HA   . ILE A 1 27  ? 2.90800  8.45400  -44.48700 1.000 85.91502  ? 346 ILE A HA   1 
ATOM   355  H  HB   . ILE A 1 27  ? 2.18500  5.73100  -44.32400 1.000 85.41920  ? 346 ILE A HB   1 
ATOM   356  H  HG12 . ILE A 1 27  ? 3.84300  6.59700  -46.42700 1.000 95.40516  ? 346 ILE A HG12 1 
ATOM   357  H  HG13 . ILE A 1 27  ? 4.42700  5.92400  -45.14700 1.000 95.40516  ? 346 ILE A HG13 1 
ATOM   358  H  HG21 . ILE A 1 27  ? 1.08600  5.98700  -46.40500 1.000 100.17077 ? 346 ILE A HG21 1 
ATOM   359  H  HG22 . ILE A 1 27  ? 0.47000  6.94300  -45.30300 1.000 100.17077 ? 346 ILE A HG22 1 
ATOM   360  H  HG23 . ILE A 1 27  ? 1.46300  7.52500  -46.39100 1.000 100.17077 ? 346 ILE A HG23 1 
ATOM   361  H  HD11 . ILE A 1 27  ? 4.09300  4.23400  -46.83300 1.000 96.29799  ? 346 ILE A HD11 1 
ATOM   362  H  HD12 . ILE A 1 27  ? 3.14700  3.91800  -45.60300 1.000 96.29799  ? 346 ILE A HD12 1 
ATOM   363  H  HD13 . ILE A 1 27  ? 2.55400  4.60100  -46.90300 1.000 96.29799  ? 346 ILE A HD13 1 
ATOM   364  N  N    . ALA A 1 28  ? 1.62700  6.91100  -41.97600 1.000 63.54787  ? 347 ALA A N    1 
ATOM   365  C  CA   . ALA A 1 28  ? 0.59600  6.92000  -40.95800 1.000 62.59743  ? 347 ALA A CA   1 
ATOM   366  C  C    . ALA A 1 28  ? 1.11200  6.37400  -39.61700 1.000 62.96734  ? 347 ALA A C    1 
ATOM   367  O  O    . ALA A 1 28  ? 1.98300  5.49100  -39.56700 1.000 64.29578  ? 347 ALA A O    1 
ATOM   368  C  CB   . ALA A 1 28  ? -0.61400 6.14400  -41.44300 1.000 66.57082  ? 347 ALA A CB   1 
ATOM   369  H  H    . ALA A 1 28  ? 2.22000  6.29800  -41.86900 1.000 74.62808  ? 347 ALA A H    1 
ATOM   370  H  HA   . ALA A 1 28  ? 0.33300  7.84000  -40.80000 1.000 75.43359  ? 347 ALA A HA   1 
ATOM   371  H  HB1  . ALA A 1 28  ? -1.30100 6.15300  -40.75800 1.000 80.28445  ? 347 ALA A HB1  1 
ATOM   372  H  HB2  . ALA A 1 28  ? -0.95900 6.55400  -42.25100 1.000 80.28445  ? 347 ALA A HB2  1 
ATOM   373  H  HB3  . ALA A 1 28  ? -0.35700 5.22800  -41.63000 1.000 80.28445  ? 347 ALA A HB3  1 
ATOM   374  N  N    . PRO A 1 29  ? 0.59500  6.89600  -38.47700 1.000 60.63754  ? 348 PRO A N    1 
ATOM   375  C  CA   . PRO A 1 29  ? -0.41400 7.95200  -38.48900 1.000 64.27735  ? 348 PRO A CA   1 
ATOM   376  C  C    . PRO A 1 29  ? 0.19500  9.31700  -38.77000 1.000 58.14066  ? 348 PRO A C    1 
ATOM   377  O  O    . PRO A 1 29  ? 1.41500  9.45100  -38.84000 1.000 65.01367  ? 348 PRO A O    1 
ATOM   378  C  CB   . PRO A 1 29  ? -0.94000 7.92500  -37.06600 1.000 56.97603  ? 348 PRO A CB   1 
ATOM   379  C  CG   . PRO A 1 29  ? 0.34900  7.58800  -36.23600 1.000 53.62958  ? 348 PRO A CG   1 
ATOM   380  C  CD   . PRO A 1 29  ? 1.01000  6.51000  -37.10900 1.000 55.79774  ? 348 PRO A CD   1 
ATOM   381  H  HA   . PRO A 1 29  ? -1.08500 7.81100  -39.17500 1.000 77.61775  ? 348 PRO A HA   1 
ATOM   382  H  HB2  . PRO A 1 29  ? -1.32400 8.77700  -36.80700 1.000 68.68737  ? 348 PRO A HB2  1 
ATOM   383  H  HB3  . PRO A 1 29  ? -1.63100 7.25400  -36.94900 1.000 68.68737  ? 348 PRO A HB3  1 
ATOM   384  H  HG2  . PRO A 1 29  ? 0.92000  8.36300  -36.12000 1.000 64.84043  ? 348 PRO A HG2  1 
ATOM   385  H  HG3  . PRO A 1 29  ? 0.13500  7.25800  -35.34900 1.000 64.84043  ? 348 PRO A HG3  1 
ATOM   386  H  HD2  . PRO A 1 29  ? 1.97500  6.51000  -37.01200 1.000 67.44222  ? 348 PRO A HD2  1 
ATOM   387  H  HD3  . PRO A 1 29  ? 0.70200  5.62000  -36.87700 1.000 67.44222  ? 348 PRO A HD3  1 
ATOM   388  N  N    . LYS A 1 30  ? -0.66900 10.32700 -38.87300 1.000 60.66307  ? 349 LYS A N    1 
ATOM   389  C  CA   . LYS A 1 30  ? -0.23100 11.69900 -39.05600 1.000 65.47558  ? 349 LYS A CA   1 
ATOM   390  C  C    . LYS A 1 30  ? 0.46600  12.23000 -37.81800 1.000 57.49187  ? 349 LYS A C    1 
ATOM   391  O  O    . LYS A 1 30  ? 1.42300  13.00600 -37.93800 1.000 56.68491  ? 349 LYS A O    1 
ATOM   392  C  CB   . LYS A 1 30  ? -1.43000 12.61200 -39.35700 1.000 65.41425  ? 349 LYS A CB   1 
ATOM   393  C  CG   . LYS A 1 30  ? -2.09200 12.26900 -40.68700 1.000 74.27758  ? 349 LYS A CG   1 
ATOM   394  C  CD   . LYS A 1 30  ? -1.10100 12.41300 -41.86600 1.000 70.44580  ? 349 LYS A CD   1 
ATOM   395  C  CE   . LYS A 1 30  ? -1.77800 12.43100 -43.20200 1.000 80.17751  ? 349 LYS A CE   1 
ATOM   396  N  NZ   . LYS A 1 30  ? -0.80600 12.81200 -44.24700 1.000 80.35395  ? 349 LYS A NZ   1 
ATOM   397  H  H    . LYS A 1 30  ? -1.52300 10.23100 -38.83800 1.000 70.37102  ? 349 LYS A H    1 
ATOM   398  H  HA   . LYS A 1 30  ? 0.39000  11.70000 -39.80100 1.000 79.05563  ? 349 LYS A HA   1 
ATOM   399  H  HB2  . LYS A 1 30  ? -2.08200 12.53400 -38.64300 1.000 76.07244  ? 349 LYS A HB2  1 
ATOM   400  H  HB3  . LYS A 1 30  ? -1.13600 13.53600 -39.37200 1.000 76.07244  ? 349 LYS A HB3  1 
ATOM   401  H  HG2  . LYS A 1 30  ? -2.43100 11.36100 -40.65700 1.000 89.61803  ? 349 LYS A HG2  1 
ATOM   402  H  HG3  . LYS A 1 30  ? -2.85400 12.85100 -40.83000 1.000 89.61803  ? 349 LYS A HG3  1 
ATOM   403  H  HD2  . LYS A 1 30  ? -0.59200 13.23200 -41.75600 1.000 82.92825  ? 349 LYS A HD2  1 
ATOM   404  H  HD3  . LYS A 1 30  ? -0.46700 11.67900 -41.84000 1.000 82.92825  ? 349 LYS A HD3  1 
ATOM   405  H  HE2  . LYS A 1 30  ? -2.15100 11.55700 -43.39800 1.000 96.69794  ? 349 LYS A HE2  1 
ATOM   406  H  HE3  . LYS A 1 30  ? -2.51800 13.05900 -43.19100 1.000 96.69794  ? 349 LYS A HE3  1 
ATOM   407  H  HZ1  . LYS A 1 30  ? -1.24100 13.13000 -44.95600 1.000 96.90967  ? 349 LYS A HZ1  1 
ATOM   408  H  HZ2  . LYS A 1 30  ? -0.25900 13.43800 -43.93000 1.000 96.90967  ? 349 LYS A HZ2  1 
ATOM   409  H  HZ3  . LYS A 1 30  ? -0.33200 12.09800 -44.48600 1.000 96.90967  ? 349 LYS A HZ3  1 
ATOM   410  N  N    . GLU A 1 31  ? -0.08600 11.85100 -36.65900 1.000 56.11148  ? 350 GLU A N    1 
ATOM   411  C  CA   . GLU A 1 31  ? 0.24600  12.42500 -35.35700 1.000 55.49834  ? 350 GLU A CA   1 
ATOM   412  C  C    . GLU A 1 31  ? 0.17400  11.36100 -34.26900 1.000 51.24388  ? 350 GLU A C    1 
ATOM   413  O  O    . GLU A 1 31  ? -0.67300 10.48800 -34.37600 1.000 54.22640  ? 350 GLU A O    1 
ATOM   414  C  CB   . GLU A 1 31  ? -0.79600 13.46000 -34.90900 1.000 61.49661  ? 350 GLU A CB   1 
ATOM   415  C  CG   . GLU A 1 31  ? -1.09000 14.61900 -35.84000 1.000 78.02398  ? 350 GLU A CG   1 
ATOM   416  C  CD   . GLU A 1 31  ? -1.37400 15.94900 -35.14000 1.000 90.42593  ? 350 GLU A CD   1 
ATOM   417  O  OE1  . GLU A 1 31  ? -2.04100 15.92700 -34.08100 1.000 97.35047  ? 350 GLU A OE1  1 
ATOM   418  O  OE2  . GLU A 1 31  ? -0.93700 17.01000 -35.64500 1.000 88.66976  ? 350 GLU A OE2  1 
ATOM   419  H  H    . GLU A 1 31  ? -0.68200 11.23300 -36.61200 1.000 64.90911  ? 350 GLU A H    1 
ATOM   420  H  HA   . GLU A 1 31  ? 1.12900  12.81200 -35.46300 1.000 67.08294  ? 350 GLU A HA   1 
ATOM   421  H  HB2  . GLU A 1 31  ? -1.62900 12.99100 -34.74500 1.000 74.28087  ? 350 GLU A HB2  1 
ATOM   422  H  HB3  . GLU A 1 31  ? -0.50500 13.82700 -34.06000 1.000 74.28087  ? 350 GLU A HB3  1 
ATOM   423  H  HG2  . GLU A 1 31  ? -0.33500 14.73700 -36.43700 1.000 94.11370  ? 350 GLU A HG2  1 
ATOM   424  H  HG3  . GLU A 1 31  ? -1.85400 14.38900 -36.39100 1.000 94.11370  ? 350 GLU A HG3  1 
ATOM   425  N  N    . TYR A 1 32  ? 0.95500  11.47600 -33.18200 1.000 51.37470  ? 351 TYR A N    1 
ATOM   426  C  CA   . TYR A 1 32  ? 0.79700  10.50000 -32.11700 1.000 46.50563  ? 351 TYR A CA   1 
ATOM   427  C  C    . TYR A 1 32  ? 1.11700  11.13700 -30.78000 1.000 50.29721  ? 351 TYR A C    1 
ATOM   428  O  O    . TYR A 1 32  ? 1.62600  12.25500 -30.74600 1.000 44.89573  ? 351 TYR A O    1 
ATOM   429  C  CB   . TYR A 1 32  ? 1.62700  9.23300  -32.32500 1.000 44.38656  ? 351 TYR A CB   1 
ATOM   430  C  CG   . TYR A 1 32  ? 3.06400  9.36300  -31.92900 1.000 41.31828  ? 351 TYR A CG   1 
ATOM   431  C  CD1  . TYR A 1 32  ? 3.91100  10.19500 -32.61800 1.000 46.35097  ? 351 TYR A CD1  1 
ATOM   432  C  CD2  . TYR A 1 32  ? 3.56500  8.71400  -30.79700 1.000 40.80158  ? 351 TYR A CD2  1 
ATOM   433  C  CE1  . TYR A 1 32  ? 5.22000  10.35400 -32.23500 1.000 51.82158  ? 351 TYR A CE1  1 
ATOM   434  C  CE2  . TYR A 1 32  ? 4.89300  8.82000  -30.44700 1.000 36.78876  ? 351 TYR A CE2  1 
ATOM   435  C  CZ   . TYR A 1 32  ? 5.72000  9.64700  -31.14200 1.000 36.71572  ? 351 TYR A CZ   1 
ATOM   436  O  OH   . TYR A 1 32  ? 7.06300  9.86100  -30.82900 1.000 39.01281  ? 351 TYR A OH   1 
ATOM   437  H  H    . TYR A 1 32  ? 1.55100  12.08300 -33.05300 1.000 62.13458  ? 351 TYR A H    1 
ATOM   438  H  HA   . TYR A 1 32  ? -0.13100 10.21700 -32.13200 1.000 54.48953  ? 351 TYR A HA   1 
ATOM   439  H  HB2  . TYR A 1 32  ? 1.22700  8.51000  -31.81600 1.000 50.83921  ? 351 TYR A HB2  1 
ATOM   440  H  HB3  . TYR A 1 32  ? 1.58200  8.98000  -33.26000 1.000 50.83921  ? 351 TYR A HB3  1 
ATOM   441  H  HD1  . TYR A 1 32  ? 3.59200  10.66000 -33.35800 1.000 56.10610  ? 351 TYR A HD1  1 
ATOM   442  H  HD2  . TYR A 1 32  ? 2.99300  8.20300  -30.27200 1.000 49.44683  ? 351 TYR A HD2  1 
ATOM   443  H  HE1  . TYR A 1 32  ? 5.77400  10.93400 -32.70500 1.000 62.67083  ? 351 TYR A HE1  1 
ATOM   444  H  HE2  . TYR A 1 32  ? 5.22500  8.32500  -29.73300 1.000 42.32574  ? 351 TYR A HE2  1 
ATOM   445  H  HH   . TYR A 1 32  ? 7.35400  9.21000  -30.38500 1.000 47.30030  ? 351 TYR A HH   1 
ATOM   446  N  N    . GLU A 1 33  ? 0.76200  10.42500 -29.70000 1.000 47.99162  ? 352 GLU A N    1 
ATOM   447  C  CA   . GLU A 1 33  ? 0.98100  10.90000 -28.34000 1.000 43.41218  ? 352 GLU A CA   1 
ATOM   448  C  C    . GLU A 1 33  ? 2.33000  10.36200 -27.90800 1.000 39.92013  ? 352 GLU A C    1 
ATOM   449  O  O    . GLU A 1 33  ? 2.46300  9.18900  -27.61500 1.000 55.93014  ? 352 GLU A O    1 
ATOM   450  C  CB   . GLU A 1 33  ? -0.19500 10.44000 -27.43600 1.000 48.41809  ? 352 GLU A CB   1 
ATOM   451  C  CG   . GLU A 1 33  ? -0.00500 10.83600 -25.97100 1.000 59.73304  ? 352 GLU A CG   1 
ATOM   452  C  CD   . GLU A 1 33  ? 0.00000  12.33400 -25.70200 1.000 59.73944  ? 352 GLU A CD   1 
ATOM   453  O  OE1  . GLU A 1 33  ? -1.04100 13.00200 -25.89900 1.000 67.75713  ? 352 GLU A OE1  1 
ATOM   454  O  OE2  . GLU A 1 33  ? 1.07800  12.85200 -25.38100 1.000 54.86732  ? 352 GLU A OE2  1 
ATOM   455  H  H    . GLU A 1 33  ? 0.38700  9.65200  -29.74400 1.000 58.07487  ? 352 GLU A H    1 
ATOM   456  H  HA   . GLU A 1 33  ? 0.99800  11.86800 -28.27500 1.000 51.87214  ? 352 GLU A HA   1 
ATOM   457  H  HB2  . GLU A 1 33  ? -1.02200 10.82500 -27.76600 1.000 58.58664  ? 352 GLU A HB2  1 
ATOM   458  H  HB3  . GLU A 1 33  ? -0.28700 9.47600  -27.49700 1.000 58.58664  ? 352 GLU A HB3  1 
ATOM   459  H  HG2  . GLU A 1 33  ? -0.71300 10.43000 -25.44600 1.000 72.16458  ? 352 GLU A HG2  1 
ATOM   460  H  HG3  . GLU A 1 33  ? 0.83300  10.46200 -25.65500 1.000 72.16458  ? 352 GLU A HG3  1 
ATOM   461  N  N    . ALA A 1 34  ? 3.33500  11.23000 -27.84500 1.000 38.60844  ? 353 ALA A N    1 
ATOM   462  C  CA   . ALA A 1 34  ? 4.66500  10.81600 -27.45900 1.000 45.39958  ? 353 ALA A CA   1 
ATOM   463  C  C    . ALA A 1 34  ? 4.89500  10.99400 -25.95000 1.000 35.13511  ? 353 ALA A C    1 
ATOM   464  O  O    . ALA A 1 34  ? 5.76500  10.37000 -25.38800 1.000 38.20410  ? 353 ALA A O    1 
ATOM   465  C  CB   . ALA A 1 34  ? 5.66900  11.67500 -28.18300 1.000 40.22568  ? 353 ALA A CB   1 
ATOM   466  H  H    . ALA A 1 34  ? 3.26000  12.06800 -28.02400 1.000 43.90546  ? 353 ALA A H    1 
ATOM   467  H  HA   . ALA A 1 34  ? 4.76500  9.87800  -27.68500 1.000 54.96443  ? 353 ALA A HA   1 
ATOM   468  H  HB1  . ALA A 1 34  ? 6.56600  11.40600 -27.93200 1.000 48.75575  ? 353 ALA A HB1  1 
ATOM   469  H  HB2  . ALA A 1 34  ? 5.55600  11.56800 -29.14000 1.000 48.75575  ? 353 ALA A HB2  1 
ATOM   470  H  HB3  . ALA A 1 34  ? 5.53200  12.60500 -27.94400 1.000 48.75575  ? 353 ALA A HB3  1 
ATOM   471  N  N    . TYR A 1 35  ? 4.10300  11.86600 -25.32900 1.000 46.89724  ? 354 TYR A N    1 
ATOM   472  C  CA   . TYR A 1 35  ? 4.34300  12.39800 -24.00000 1.000 37.32044  ? 354 TYR A CA   1 
ATOM   473  C  C    . TYR A 1 35  ? 5.71200  13.03100 -23.89000 1.000 39.57641  ? 354 TYR A C    1 
ATOM   474  O  O    . TYR A 1 35  ? 6.54700  12.88100 -24.78900 1.000 39.65034  ? 354 TYR A O    1 
ATOM   475  C  CB   . TYR A 1 35  ? 4.15600  11.33700 -22.93000 1.000 39.02893  ? 354 TYR A CB   1 
ATOM   476  C  CG   . TYR A 1 35  ? 2.79800  10.66300 -22.98300 1.000 38.87759  ? 354 TYR A CG   1 
ATOM   477  C  CD1  . TYR A 1 35  ? 1.66800  11.27100 -22.44100 1.000 47.57740  ? 354 TYR A CD1  1 
ATOM   478  C  CD2  . TYR A 1 35  ? 2.64100  9.41800  -23.58200 1.000 50.03312  ? 354 TYR A CD2  1 
ATOM   479  C  CE1  . TYR A 1 35  ? 0.42900  10.65200 -22.49200 1.000 54.87641  ? 354 TYR A CE1  1 
ATOM   480  C  CE2  . TYR A 1 35  ? 1.40800  8.79500  -23.65000 1.000 50.11641  ? 354 TYR A CE2  1 
ATOM   481  C  CZ   . TYR A 1 35  ? 0.30600  9.41300  -23.10200 1.000 61.13816  ? 354 TYR A CZ   1 
ATOM   482  O  OH   . TYR A 1 35  ? -0.90800 8.76700  -23.21600 1.000 85.44718  ? 354 TYR A OH   1 
ATOM   483  H  H    . TYR A 1 35  ? 3.38400  12.17300 -25.68800 1.000 56.76162  ? 354 TYR A H    1 
ATOM   484  H  HA   . TYR A 1 35  ? 3.68100  13.09200 -23.85200 1.000 42.35987  ? 354 TYR A HA   1 
ATOM   485  H  HB2  . TYR A 1 35  ? 4.84800  10.66400 -23.02600 1.000 47.31965  ? 354 TYR A HB2  1 
ATOM   486  H  HB3  . TYR A 1 35  ? 4.27500  11.74300 -22.05700 1.000 47.31965  ? 354 TYR A HB3  1 
ATOM   487  H  HD1  . TYR A 1 35  ? 1.74600  12.10600 -22.03800 1.000 57.57781  ? 354 TYR A HD1  1 
ATOM   488  H  HD2  . TYR A 1 35  ? 3.38400  8.99300  -23.94600 1.000 60.52468  ? 354 TYR A HD2  1 
ATOM   489  H  HE1  . TYR A 1 35  ? -0.31600 11.06500 -22.11900 1.000 66.33663  ? 354 TYR A HE1  1 
ATOM   490  H  HE2  . TYR A 1 35  ? 1.32400  7.96600  -24.06200 1.000 60.62462  ? 354 TYR A HE2  1 
ATOM   491  H  HH   . TYR A 1 35  ? -0.81400 8.07400  -23.68100 1.000 103.02155 ? 354 TYR A HH   1 
ATOM   492  N  N    . GLU A 1 36  ? 5.87000  13.80400 -22.80900 1.000 44.28738  ? 355 GLU A N    1 
ATOM   493  C  CA   . GLU A 1 36  ? 7.14100  14.31100 -22.33100 1.000 37.39197  ? 355 GLU A CA   1 
ATOM   494  C  C    . GLU A 1 36  ? 7.17900  14.31500 -20.80800 1.000 45.80922  ? 355 GLU A C    1 
ATOM   495  O  O    . GLU A 1 36  ? 6.13900  14.32200 -20.15900 1.000 42.54615  ? 355 GLU A O    1 
ATOM   496  C  CB   . GLU A 1 36  ? 7.43400  15.74300 -22.76500 1.000 38.15792  ? 355 GLU A CB   1 
ATOM   497  C  CG   . GLU A 1 36  ? 6.27300  16.63700 -22.62000 1.000 53.00174  ? 355 GLU A CG   1 
ATOM   498  C  CD   . GLU A 1 36  ? 6.55500  18.06700 -22.98500 1.000 73.80202  ? 355 GLU A CD   1 
ATOM   499  O  OE1  . GLU A 1 36  ? 7.65900  18.38200 -23.50500 1.000 70.95066  ? 355 GLU A OE1  1 
ATOM   500  O  OE2  . GLU A 1 36  ? 5.63700  18.88300 -22.74400 1.000 84.85450  ? 355 GLU A OE2  1 
ATOM   501  H  H    . GLU A 1 36  ? 5.20700  14.05200 -22.32100 1.000 53.62979  ? 355 GLU A H    1 
ATOM   502  H  HA   . GLU A 1 36  ? 7.80300  13.71700 -22.71800 1.000 45.35530  ? 355 GLU A HA   1 
ATOM   503  H  HB2  . GLU A 1 36  ? 8.17100  16.09100 -22.23900 1.000 44.33074  ? 355 GLU A HB2  1 
ATOM   504  H  HB3  . GLU A 1 36  ? 7.72200  15.74200 -23.69100 1.000 44.33074  ? 355 GLU A HB3  1 
ATOM   505  H  HG2  . GLU A 1 36  ? 5.55100  16.30700 -23.17700 1.000 64.08702  ? 355 GLU A HG2  1 
ATOM   506  H  HG3  . GLU A 1 36  ? 5.96200  16.60200 -21.70200 1.000 64.08702  ? 355 GLU A HG3  1 
ATOM   507  N  N    . CYS A 1 37  ? 8.38300  14.42800 -20.29100 1.000 41.92017  ? 356 CYS A N    1 
ATOM   508  C  CA   . CYS A 1 37  ? 8.65700  14.52500 -18.86900 1.000 46.71178  ? 356 CYS A CA   1 
ATOM   509  C  C    . CYS A 1 37  ? 8.94600  15.96600 -18.52700 1.000 45.34574  ? 356 CYS A C    1 
ATOM   510  O  O    . CYS A 1 37  ? 9.88600  16.50300 -19.07100 1.000 39.19617  ? 356 CYS A O    1 
ATOM   511  C  CB   . CYS A 1 37  ? 9.79300  13.61900 -18.51600 1.000 36.30570  ? 356 CYS A CB   1 
ATOM   512  S  SG   . CYS A 1 37  ? 9.42500  11.91400 -18.87700 1.000 44.46373  ? 356 CYS A SG   1 
ATOM   513  H  H    . CYS A 1 37  ? 9.09400  14.45200 -20.77400 1.000 50.78914  ? 356 CYS A H    1 
ATOM   514  H  HA   . CYS A 1 37  ? 7.88900  14.24100 -18.34800 1.000 56.53907  ? 356 CYS A HA   1 
ATOM   515  H  HB2  . CYS A 1 37  ? 10.58500 13.88900 -19.00700 1.000 44.05177  ? 356 CYS A HB2  1 
ATOM   516  H  HB3  . CYS A 1 37  ? 9.99800  13.71200 -17.57300 1.000 44.05177  ? 356 CYS A HB3  1 
ATOM   517  N  N    . ARG A 1 38  ? 8.06900  16.59800 -17.71100 1.000 42.56918  ? 357 ARG A N    1 
ATOM   518  C  CA   . ARG A 1 38  ? 8.30200  17.94700 -17.22000 1.000 46.00585  ? 357 ARG A CA   1 
ATOM   519  C  C    . ARG A 1 38  ? 8.23300  17.95600 -15.69400 1.000 48.10641  ? 357 ARG A C    1 
ATOM   520  O  O    . ARG A 1 38  ? 7.48200  17.20200 -15.08700 1.000 48.21004  ? 357 ARG A O    1 
ATOM   521  C  CB   . ARG A 1 38  ? 7.29100  18.98500 -17.75300 1.000 49.50224  ? 357 ARG A CB   1 
ATOM   522  C  CG   . ARG A 1 38  ? 7.20200  18.98300 -19.29100 1.000 57.67401  ? 357 ARG A CG   1 
ATOM   523  C  CD   . ARG A 1 38  ? 6.32000  20.09300 -19.83800 1.000 66.51371  ? 357 ARG A CD   1 
ATOM   524  N  NE   . ARG A 1 38  ? 6.78800  21.40200 -19.38800 1.000 85.74453  ? 357 ARG A NE   1 
ATOM   525  C  CZ   . ARG A 1 38  ? 7.50600  22.25700 -20.11900 1.000 88.05924  ? 357 ARG A CZ   1 
ATOM   526  N  NH1  . ARG A 1 38  ? 8.01800  21.91700 -21.29400 1.000 80.06956  ? 357 ARG A NH1  1 
ATOM   527  N  NH2  . ARG A 1 38  ? 7.71600  23.48600 -19.65600 1.000 92.94075  ? 357 ARG A NH2  1 
ATOM   528  H  H    . ARG A 1 38  ? 7.33300  16.24600 -17.43800 1.000 48.65835  ? 357 ARG A H    1 
ATOM   529  H  HA   . ARG A 1 38  ? 9.18100  18.20200 -17.54300 1.000 52.78235  ? 357 ARG A HA   1 
ATOM   530  H  HB2  . ARG A 1 38  ? 6.41500  18.80000 -17.38100 1.000 56.97803  ? 357 ARG A HB2  1 
ATOM   531  H  HB3  . ARG A 1 38  ? 7.54800  19.86900 -17.44800 1.000 56.97803  ? 357 ARG A HB3  1 
ATOM   532  H  HG2  . ARG A 1 38  ? 8.09400  19.07400 -19.66100 1.000 69.69374  ? 357 ARG A HG2  1 
ATOM   533  H  HG3  . ARG A 1 38  ? 6.85700  18.12700 -19.58900 1.000 69.69374  ? 357 ARG A HG3  1 
ATOM   534  H  HD2  . ARG A 1 38  ? 6.31900  20.06200 -20.80700 1.000 80.30139  ? 357 ARG A HD2  1 
ATOM   535  H  HD3  . ARG A 1 38  ? 5.40400  19.95600 -19.54800 1.000 80.30139  ? 357 ARG A HD3  1 
ATOM   536  H  HE   . ARG A 1 38  ? 6.58400  21.64100 -18.58700 1.000 103.37837 ? 357 ARG A HE   1 
ATOM   537  H  HH11 . ARG A 1 38  ? 7.89100  21.12600 -21.60600 1.000 96.56840  ? 357 ARG A HH11 1 
ATOM   538  H  HH12 . ARG A 1 38  ? 8.47700  22.48800 -21.74400 1.000 96.56840  ? 357 ARG A HH12 1 
ATOM   539  H  HH21 . ARG A 1 38  ? 7.39100  23.72000 -18.89500 1.000 112.01384 ? 357 ARG A HH21 1 
ATOM   540  H  HH22 . ARG A 1 38  ? 8.17700  24.04600 -20.11700 1.000 112.01384 ? 357 ARG A HH22 1 
ATOM   541  N  N    . GLY A 1 39  ? 8.98200  18.88300 -15.12300 1.000 66.89208  ? 358 GLY A N    1 
ATOM   542  C  CA   . GLY A 1 39  ? 8.90100  19.21700 -13.72500 1.000 66.29941  ? 358 GLY A CA   1 
ATOM   543  C  C    . GLY A 1 39  ? 10.29000 19.19600 -13.12500 1.000 57.70333  ? 358 GLY A C    1 
ATOM   544  O  O    . GLY A 1 39  ? 11.24500 18.79100 -13.75900 1.000 62.50745  ? 358 GLY A O    1 
ATOM   545  H  H    . GLY A 1 39  ? 9.56600  19.34500 -15.55400 1.000 80.75542  ? 358 GLY A H    1 
ATOM   546  H  HA2  . GLY A 1 39  ? 8.50300  20.09400 -13.61400 1.000 80.04422  ? 358 GLY A HA2  1 
ATOM   547  H  HA3  . GLY A 1 39  ? 8.32800  18.58500 -13.26300 1.000 80.04422  ? 358 GLY A HA3  1 
ATOM   548  N  N    . GLY A 1 40  ? 10.37000 19.62900 -11.86800 1.000 68.08244  ? 359 GLY A N    1 
ATOM   549  C  CA   . GLY A 1 40  ? 11.62800 19.73900 -11.16100 1.000 67.51811  ? 359 GLY A CA   1 
ATOM   550  C  C    . GLY A 1 40  ? 12.08800 18.45700 -10.48100 1.000 45.31903  ? 359 GLY A C    1 
ATOM   551  O  O    . GLY A 1 40  ? 11.34500 17.51100 -10.25200 1.000 55.54012  ? 359 GLY A O    1 
ATOM   552  H  H    . GLY A 1 40  ? 9.68600  19.86700 -11.40400 1.000 82.18387  ? 359 GLY A H    1 
ATOM   553  H  HA2  . GLY A 1 40  ? 12.31300 20.02300 -11.78600 1.000 81.50666  ? 359 GLY A HA2  1 
ATOM   554  H  HA3  . GLY A 1 40  ? 11.54900 20.43600 -10.49100 1.000 81.50666  ? 359 GLY A HA3  1 
ATOM   555  N  N    . CYS A 1 41  ? 13.35200 18.50900 -10.13400 1.000 40.32151  ? 360 CYS A N    1 
ATOM   556  C  CA   . CYS A 1 41  ? 14.06700 17.51200 -9.36800  1.000 38.94991  ? 360 CYS A CA   1 
ATOM   557  C  C    . CYS A 1 41  ? 14.56800 18.31900 -8.16200  1.000 50.22848  ? 360 CYS A C    1 
ATOM   558  O  O    . CYS A 1 41  ? 15.52700 19.07100 -8.26200  1.000 56.18418  ? 360 CYS A O    1 
ATOM   559  C  CB   . CYS A 1 41  ? 15.19600 16.93400 -10.20100 1.000 52.23485  ? 360 CYS A CB   1 
ATOM   560  S  SG   . CYS A 1 41  ? 14.59900 16.13300 -11.75700 1.000 65.24994  ? 360 CYS A SG   1 
ATOM   561  H  H    . CYS A 1 41  ? 13.85300 19.17300 -10.35300 1.000 48.37521  ? 360 CYS A H    1 
ATOM   562  H  HA   . CYS A 1 41  ? 13.53700 16.74500 -9.09900  1.000 47.22483  ? 360 CYS A HA   1 
ATOM   563  H  HB2  . CYS A 1 41  ? 15.82200 17.64000 -10.42500 1.000 63.16676  ? 360 CYS A HB2  1 
ATOM   564  H  HB3  . CYS A 1 41  ? 15.68200 16.28200 -9.67200  1.000 63.16676  ? 360 CYS A HB3  1 
ATOM   565  N  N    . PHE A 1 42  ? 13.83500 18.29800 -7.06300  1.000 50.13025  ? 361 PHE A N    1 
ATOM   566  C  CA   . PHE A 1 42  ? 14.29600 19.02000 -5.88400  1.000 63.04388  ? 361 PHE A CA   1 
ATOM   567  C  C    . PHE A 1 42  ? 13.78200 18.26800 -4.67800  1.000 57.16104  ? 361 PHE A C    1 
ATOM   568  O  O    . PHE A 1 42  ? 12.81100 17.51900 -4.76600  1.000 47.17798  ? 361 PHE A O    1 
ATOM   569  C  CB   . PHE A 1 42  ? 13.77400 20.48000 -5.80000  1.000 55.70550  ? 361 PHE A CB   1 
ATOM   570  C  CG   . PHE A 1 42  ? 12.30400 20.57300 -6.04500  1.000 62.28668  ? 361 PHE A CG   1 
ATOM   571  C  CD1  . PHE A 1 42  ? 11.78600 20.42600 -7.33000  1.000 69.51771  ? 361 PHE A CD1  1 
ATOM   572  C  CD2  . PHE A 1 42  ? 11.42100 20.74000 -4.99700  1.000 73.85307  ? 361 PHE A CD2  1 
ATOM   573  C  CE1  . PHE A 1 42  ? 10.42600 20.50900 -7.56400  1.000 69.33045  ? 361 PHE A CE1  1 
ATOM   574  C  CE2  . PHE A 1 42  ? 10.04500 20.83200 -5.23000  1.000 85.85419  ? 361 PHE A CE2  1 
ATOM   575  C  CZ   . PHE A 1 42  ? 9.55700  20.72300 -6.52000  1.000 88.08064  ? 361 PHE A CZ   1 
ATOM   576  H  H    . PHE A 1 42  ? 13.08600 17.88400 -6.97500  1.000 60.64123  ? 361 PHE A H    1 
ATOM   577  H  HA   . PHE A 1 42  ? 15.26400 19.07100 -5.92600  1.000 76.13759  ? 361 PHE A HA   1 
ATOM   578  H  HB2  . PHE A 1 42  ? 13.97700 20.84400 -4.92400  1.000 67.33154  ? 361 PHE A HB2  1 
ATOM   579  H  HB3  . PHE A 1 42  ? 14.24300 21.02700 -6.45000  1.000 67.33154  ? 361 PHE A HB3  1 
ATOM   580  H  HD1  . PHE A 1 42  ? 12.36400 20.27000 -8.04100  1.000 83.90618  ? 361 PHE A HD1  1 
ATOM   581  H  HD2  . PHE A 1 42  ? 11.74500 20.79200 -4.12700  1.000 89.10862  ? 361 PHE A HD2  1 
ATOM   582  H  HE1  . PHE A 1 42  ? 10.09800 20.42000 -8.43000  1.000 83.68147  ? 361 PHE A HE1  1 
ATOM   583  H  HE2  . PHE A 1 42  ? 9.46000  20.96600 -4.52000  1.000 103.50996 ? 361 PHE A HE2  1 
ATOM   584  H  HZ   . PHE A 1 42  ? 8.64400  20.79400 -6.68100  1.000 106.18170 ? 361 PHE A HZ   1 
ATOM   585  N  N    . PHE A 1 43  ? 14.35800 18.58700 -3.53600  1.000 58.09284  ? 362 PHE A N    1 
ATOM   586  C  CA   . PHE A 1 43  ? 13.90200 18.01000 -2.28600  1.000 48.23856  ? 362 PHE A CA   1 
ATOM   587  C  C    . PHE A 1 43  ? 12.79600 18.85600 -1.67100  1.000 49.08932  ? 362 PHE A C    1 
ATOM   588  O  O    . PHE A 1 43  ? 12.84500 20.07300 -1.74500  1.000 60.49588  ? 362 PHE A O    1 
ATOM   589  C  CB   . PHE A 1 43  ? 15.06700 17.87800 -1.32700  1.000 43.34446  ? 362 PHE A CB   1 
ATOM   590  C  CG   . PHE A 1 43  ? 16.10900 16.98400 -1.85300  1.000 37.13127  ? 362 PHE A CG   1 
ATOM   591  C  CD1  . PHE A 1 43  ? 15.81900 15.65800 -2.04500  1.000 49.25444  ? 362 PHE A CD1  1 
ATOM   592  C  CD2  . PHE A 1 43  ? 17.33700 17.46300 -2.24500  1.000 52.74878  ? 362 PHE A CD2  1 
ATOM   593  C  CE1  . PHE A 1 43  ? 16.73700 14.82700 -2.57000  1.000 40.82803  ? 362 PHE A CE1  1 
ATOM   594  C  CE2  . PHE A 1 43  ? 18.26600 16.60800 -2.77500  1.000 58.64043  ? 362 PHE A CE2  1 
ATOM   595  C  CZ   . PHE A 1 43  ? 17.97800 15.29000 -2.92900  1.000 43.26802  ? 362 PHE A CZ   1 
ATOM   596  H  H    . PHE A 1 43  ? 15.01600 19.13600 -3.46100  1.000 70.19634  ? 362 PHE A H    1 
ATOM   597  H  HA   . PHE A 1 43  ? 13.53900 17.12800 -2.46400  1.000 58.37120  ? 362 PHE A HA   1 
ATOM   598  H  HB2  . PHE A 1 43  ? 15.44800 18.75400 -1.15800  1.000 52.49828  ? 362 PHE A HB2  1 
ATOM   599  H  HB3  . PHE A 1 43  ? 14.74900 17.53800 -0.47600  1.000 52.49828  ? 362 PHE A HB3  1 
ATOM   600  H  HD1  . PHE A 1 43  ? 14.98100 15.33000 -1.81000  1.000 59.59026  ? 362 PHE A HD1  1 
ATOM   601  H  HD2  . PHE A 1 43  ? 17.53600 18.36600 -2.15000  1.000 63.78347  ? 362 PHE A HD2  1 
ATOM   602  H  HE1  . PHE A 1 43  ? 16.52800 13.92900 -2.69100  1.000 49.47857  ? 362 PHE A HE1  1 
ATOM   603  H  HE2  . PHE A 1 43  ? 19.09900 16.93200 -3.03100  1.000 70.85344  ? 362 PHE A HE2  1 
ATOM   604  H  HZ   . PHE A 1 43  ? 18.61500 14.70700 -3.27400  1.000 52.40656  ? 362 PHE A HZ   1 
ATOM   605  N  N    . PRO A 1 44  ? 11.80800 18.19400 -1.07900  1.000 52.49078  ? 363 PRO A N    1 
ATOM   606  C  CA   . PRO A 1 44  ? 11.80800 16.74000 -0.96000  1.000 59.59852  ? 363 PRO A CA   1 
ATOM   607  C  C    . PRO A 1 44  ? 11.21300 16.02000 -2.18300  1.000 60.32877  ? 363 PRO A C    1 
ATOM   608  O  O    . PRO A 1 44  ? 10.29700 16.54400 -2.80100  1.000 52.71173  ? 363 PRO A O    1 
ATOM   609  C  CB   . PRO A 1 44  ? 10.93100 16.52900 0.22900   1.000 55.13213  ? 363 PRO A CB   1 
ATOM   610  C  CG   . PRO A 1 44  ? 9.88800  17.63000 0.07600   1.000 64.19150  ? 363 PRO A CG   1 
ATOM   611  C  CD   . PRO A 1 44  ? 10.60700 18.81800 -0.53500  1.000 55.28144  ? 363 PRO A CD   1 
ATOM   612  H  HA   . PRO A 1 44  ? 12.70700 16.38300 -0.88700  1.000 72.00316  ? 363 PRO A HA   1 
ATOM   613  H  HB2  . PRO A 1 44  ? 10.52700 15.64700 0.22700   1.000 63.73389  ? 363 PRO A HB2  1 
ATOM   614  H  HB3  . PRO A 1 44  ? 11.42400 16.61300 1.06000   1.000 63.73389  ? 363 PRO A HB3  1 
ATOM   615  H  HG2  . PRO A 1 44  ? 9.15800  17.33800 -0.49200  1.000 77.51473  ? 363 PRO A HG2  1 
ATOM   616  H  HG3  . PRO A 1 44  ? 9.50300  17.86300 0.93500   1.000 77.51473  ? 363 PRO A HG3  1 
ATOM   617  H  HD2  . PRO A 1 44  ? 10.07700 19.24900 -1.22400  1.000 66.72410  ? 363 PRO A HD2  1 
ATOM   618  H  HD3  . PRO A 1 44  ? 10.81700 19.49600 0.12700   1.000 66.72410  ? 363 PRO A HD3  1 
ATOM   619  N  N    . LEU A 1 45  ? 11.54900 14.74500 -2.36600  1.000 62.58577  ? 364 LEU A N    1 
ATOM   620  C  CA   . LEU A 1 45  ? 11.06900 13.95900 -3.50800  1.000 64.41907  ? 364 LEU A CA   1 
ATOM   621  C  C    . LEU A 1 45  ? 9.60100  13.54700 -3.38500  1.000 72.20574  ? 364 LEU A C    1 
ATOM   622  O  O    . LEU A 1 45  ? 9.08900  13.47400 -2.28200  1.000 69.68313  ? 364 LEU A O    1 
ATOM   623  C  CB   . LEU A 1 45  ? 11.84600 12.65600 -3.64700  1.000 51.93470  ? 364 LEU A CB   1 
ATOM   624  C  CG   . LEU A 1 45  ? 13.35000 12.76700 -3.58000  1.000 66.30350  ? 364 LEU A CG   1 
ATOM   625  C  CD1  . LEU A 1 45  ? 13.97100 11.36800 -3.33900  1.000 70.22178  ? 364 LEU A CD1  1 
ATOM   626  C  CD2  . LEU A 1 45  ? 13.93200 13.49900 -4.81200  1.000 49.32821  ? 364 LEU A CD2  1 
ATOM   627  H  H    . LEU A 1 45  ? 12.06200 14.30800 -1.83200  1.000 75.58786  ? 364 LEU A H    1 
ATOM   628  H  HA   . LEU A 1 45  ? 11.19100 14.54500 -4.27200  1.000 77.78781  ? 364 LEU A HA   1 
ATOM   629  H  HB2  . LEU A 1 45  ? 11.55300 12.05000 -2.94800  1.000 62.80657  ? 364 LEU A HB2  1 
ATOM   630  H  HB3  . LEU A 1 45  ? 11.60800 12.24800 -4.49400  1.000 62.80657  ? 364 LEU A HB3  1 
ATOM   631  H  HG   . LEU A 1 45  ? 13.59200 13.32300 -2.82300  1.000 80.04913  ? 364 LEU A HG   1 
ATOM   632  H  HD11 . LEU A 1 45  ? 14.93700 11.44500 -3.29700  1.000 84.75107  ? 364 LEU A HD11 1 
ATOM   633  H  HD12 . LEU A 1 45  ? 13.63900 11.00600 -2.50200  1.000 84.75107  ? 364 LEU A HD12 1 
ATOM   634  H  HD13 . LEU A 1 45  ? 13.72600 10.77500 -4.06700  1.000 84.75107  ? 364 LEU A HD13 1 
ATOM   635  H  HD21 . LEU A 1 45  ? 14.89700 13.55000 -4.73200  1.000 59.67878  ? 364 LEU A HD21 1 
ATOM   636  H  HD22 . LEU A 1 45  ? 13.70000 13.01100 -5.61800  1.000 59.67878  ? 364 LEU A HD22 1 
ATOM   637  H  HD23 . LEU A 1 45  ? 13.56400 14.39500 -4.86000  1.000 59.67878  ? 364 LEU A HD23 1 
ATOM   638  N  N    . ALA A 1 46  ? 8.93600  13.26800 -4.52000  1.000 88.41208  ? 365 ALA A N    1 
ATOM   639  C  CA   . ALA A 1 46  ? 7.66100  12.55200 -4.54800  1.000 90.69026  ? 365 ALA A CA   1 
ATOM   640  C  C    . ALA A 1 46  ? 7.87700  11.18200 -3.88900  1.000 95.59698  ? 365 ALA A C    1 
ATOM   641  O  O    . ALA A 1 46  ? 8.94600  10.58800 -3.99300  1.000 85.25671  ? 365 ALA A O    1 
ATOM   642  C  CB   . ALA A 1 46  ? 7.11200  12.51200 -5.99200  1.000 85.23712  ? 365 ALA A CB   1 
ATOM   643  H  H    . ALA A 1 46  ? 9.22100  13.49400 -5.29900  1.000 106.57943 ? 365 ALA A H    1 
ATOM   644  H  HA   . ALA A 1 46  ? 6.97000  13.00200 -4.03700  1.000 109.31324 ? 365 ALA A HA   1 
ATOM   645  H  HB1  . ALA A 1 46  ? 6.26700  12.03600 -6.00400  1.000 102.76948 ? 365 ALA A HB1  1 
ATOM   646  H  HB2  . ALA A 1 46  ? 6.97700  13.41800 -6.31200  1.000 102.76948 ? 365 ALA A HB2  1 
ATOM   647  H  HB3  . ALA A 1 46  ? 7.74700  12.05700 -6.56700  1.000 102.76948 ? 365 ALA A HB3  1 
ATOM   648  N  N    . ASP A 1 47  ? 6.87400  10.67700 -3.16300  1.000 128.05056 ? 366 ASP A N    1 
ATOM   649  C  CA   . ASP A 1 47  ? 7.11100  9.50200  -2.32900  1.000 140.08183 ? 366 ASP A CA   1 
ATOM   650  C  C    . ASP A 1 47  ? 6.92500  8.19000  -3.09100  1.000 136.06066 ? 366 ASP A C    1 
ATOM   651  O  O    . ASP A 1 47  ? 7.12600  7.10900  -2.51900  1.000 144.09544 ? 366 ASP A O    1 
ATOM   652  C  CB   . ASP A 1 47  ? 6.19500  9.52300  -1.08600  1.000 143.48164 ? 366 ASP A CB   1 
ATOM   653  C  CG   . ASP A 1 47  ? 4.71800  9.71100  -1.38900  1.000 148.66738 ? 366 ASP A CG   1 
ATOM   654  O  OD1  . ASP A 1 47  ? 4.37600  9.93500  -2.57800  1.000 150.57721 ? 366 ASP A OD1  1 
ATOM   655  O  OD2  . ASP A 1 47  ? 3.90400  9.63800  -0.44200  1.000 158.01575 ? 366 ASP A OD2  1 
ATOM   656  H  H    . ASP A 1 47  ? 6.07400  10.99100 -3.14000  1.000 154.14561 ? 366 ASP A H    1 
ATOM   657  H  HA   . ASP A 1 47  ? 8.03900  9.54400  -2.04900  1.000 168.58313 ? 366 ASP A HA   1 
ATOM   658  H  HB2  . ASP A 1 47  ? 6.31000  8.69100  -0.60100  1.000 172.66291 ? 366 ASP A HB2  1 
ATOM   659  H  HB3  . ASP A 1 47  ? 6.48500  10.23700 -0.49700  1.000 172.66291 ? 366 ASP A HB3  1 
ATOM   660  N  N    . ASP A 1 48  ? 6.56700  8.25400  -4.36800  1.000 120.10520 ? 367 ASP A N    1 
ATOM   661  C  CA   . ASP A 1 48  ? 6.31400  7.06900  -5.17900  1.000 118.92743 ? 367 ASP A CA   1 
ATOM   662  C  C    . ASP A 1 48  ? 7.20900  6.95200  -6.40400  1.000 113.65820 ? 367 ASP A C    1 
ATOM   663  O  O    . ASP A 1 48  ? 6.85000  6.31500  -7.39900  1.000 106.40159 ? 367 ASP A O    1 
ATOM   664  C  CB   . ASP A 1 48  ? 4.83000  6.95000  -5.51800  1.000 127.90946 ? 367 ASP A CB   1 
ATOM   665  C  CG   . ASP A 1 48  ? 4.29100  8.18600  -6.21100  1.000 134.60194 ? 367 ASP A CG   1 
ATOM   666  O  OD1  . ASP A 1 48  ? 4.71100  9.30500  -5.84900  1.000 124.83695 ? 367 ASP A OD1  1 
ATOM   667  O  OD2  . ASP A 1 48  ? 3.45000  8.03600  -7.12100  1.000 146.87904 ? 367 ASP A OD2  1 
ATOM   668  H  H    . ASP A 1 48  ? 6.46300  8.99400  -4.79300  1.000 144.61117 ? 367 ASP A H    1 
ATOM   669  H  HA   . ASP A 1 48  ? 6.55800  6.30600  -4.63300  1.000 143.19785 ? 367 ASP A HA   1 
ATOM   670  H  HB2  . ASP A 1 48  ? 4.69300  6.17700  -6.08800  1.000 153.97629 ? 367 ASP A HB2  1 
ATOM   671  H  HB3  . ASP A 1 48  ? 4.32700  6.79400  -4.70300  1.000 153.97629 ? 367 ASP A HB3  1 
ATOM   672  N  N    . VAL A 1 49  ? 8.38900  7.56100  -6.35600  1.000 81.32158  ? 368 VAL A N    1 
ATOM   673  C  CA   . VAL A 1 49  ? 9.27300  7.63900  -7.50900  1.000 78.14086  ? 368 VAL A CA   1 
ATOM   674  C  C    . VAL A 1 49  ? 10.45100 6.71300  -7.31500  1.000 86.06964  ? 368 VAL A C    1 
ATOM   675  O  O    . VAL A 1 49  ? 10.66500 6.18200  -6.23900  1.000 89.12485  ? 368 VAL A O    1 
ATOM   676  C  CB   . VAL A 1 49  ? 9.74800  9.06800  -7.78600  1.000 69.78254  ? 368 VAL A CB   1 
ATOM   677  C  CG1  . VAL A 1 49  ? 8.57300  9.97000  -8.11400  1.000 80.21644  ? 368 VAL A CG1  1 
ATOM   678  C  CG2  . VAL A 1 49  ? 10.57600 9.58900  -6.62200  1.000 66.56823  ? 368 VAL A CG2  1 
ATOM   679  H  H    . VAL A 1 49  ? 8.69900  7.94200  -5.65000  1.000 98.07083  ? 368 VAL A H    1 
ATOM   680  H  HA   . VAL A 1 49  ? 8.76600  7.35900  -8.28700  1.000 94.25397  ? 368 VAL A HA   1 
ATOM   681  H  HB   . VAL A 1 49  ? 10.32500 9.06400  -8.56600  1.000 84.22398  ? 368 VAL A HB   1 
ATOM   682  H  HG11 . VAL A 1 49  ? 8.89300  10.86900 -8.28600  1.000 96.74466  ? 368 VAL A HG11 1 
ATOM   683  H  HG12 . VAL A 1 49  ? 8.11600  9.63400  -8.90100  1.000 96.74466  ? 368 VAL A HG12 1 
ATOM   684  H  HG13 . VAL A 1 49  ? 7.95700  9.98500  -7.36500  1.000 96.74466  ? 368 VAL A HG13 1 
ATOM   685  H  HG21 . VAL A 1 49  ? 10.86900 10.49400 -6.81200  1.000 80.36681  ? 368 VAL A HG21 1 
ATOM   686  H  HG22 . VAL A 1 49  ? 10.03800 9.58700  -5.81500  1.000 80.36681  ? 368 VAL A HG22 1 
ATOM   687  H  HG23 . VAL A 1 49  ? 11.35000 9.01900  -6.49500  1.000 80.36681  ? 368 VAL A HG23 1 
ATOM   688  N  N    . THR A 1 50  ? 11.22800 6.53300  -8.38700  1.000 97.86588  ? 369 THR A N    1 
ATOM   689  C  CA   . THR A 1 50  ? 12.42900 5.69700  -8.38000  1.000 97.68393  ? 369 THR A CA   1 
ATOM   690  C  C    . THR A 1 50  ? 13.64700 6.57100  -8.64600  1.000 81.67379  ? 369 THR A C    1 
ATOM   691  O  O    . THR A 1 50  ? 14.05900 6.74600  -9.80300  1.000 85.69540  ? 369 THR A O    1 
ATOM   692  C  CB   . THR A 1 50  ? 12.33200 4.57000  -9.40800  1.000 113.26692 ? 369 THR A CB   1 
ATOM   693  O  OG1  . THR A 1 50  ? 12.17100 5.11400  -10.72800 1.000 122.14544 ? 369 THR A OG1  1 
ATOM   694  C  CG2  . THR A 1 50  ? 11.15900 3.67700  -9.07900  1.000 109.32253 ? 369 THR A CG2  1 
ATOM   695  H  H    . THR A 1 50  ? 11.06800 6.89900  -9.14900  1.000 117.92399 ? 369 THR A H    1 
ATOM   696  H  HA   . THR A 1 50  ? 12.51500 5.28000  -7.50900  1.000 117.70564 ? 369 THR A HA   1 
ATOM   697  H  HB   . THR A 1 50  ? 13.15000 4.05000  -9.38000  1.000 136.40524 ? 369 THR A HB   1 
ATOM   698  H  HG1  . THR A 1 50  ? 12.87300 5.51700  -10.95300 1.000 147.05946 ? 369 THR A HG1  1 
ATOM   699  H  HG21 . THR A 1 50  ? 11.10100 2.96400  -9.73400  1.000 131.67197 ? 369 THR A HG21 1 
ATOM   700  H  HG22 . THR A 1 50  ? 11.28000 3.29500  -8.19600  1.000 131.67197 ? 369 THR A HG22 1 
ATOM   701  H  HG23 . THR A 1 50  ? 10.34100 4.19800  -9.09600  1.000 131.67197 ? 369 THR A HG23 1 
ATOM   702  N  N    . PRO A 1 51  ? 14.25400 7.13800  -7.60700  1.000 62.81393  ? 370 PRO A N    1 
ATOM   703  C  CA   . PRO A 1 51  ? 15.44000 7.97400  -7.79700  1.000 58.24735  ? 370 PRO A CA   1 
ATOM   704  C  C    . PRO A 1 51  ? 16.73400 7.17800  -7.75200  1.000 51.41562  ? 370 PRO A C    1 
ATOM   705  O  O    . PRO A 1 51  ? 16.86800 6.18500  -7.03600  1.000 86.51110  ? 370 PRO A O    1 
ATOM   706  C  CB   . PRO A 1 51  ? 15.35800 8.94000  -6.60700  1.000 48.53511  ? 370 PRO A CB   1 
ATOM   707  C  CG   . PRO A 1 51  ? 14.73300 8.11900  -5.52900  1.000 63.98751  ? 370 PRO A CG   1 
ATOM   708  C  CD   . PRO A 1 51  ? 13.77500 7.16600  -6.21300  1.000 71.05145  ? 370 PRO A CD   1 
ATOM   709  H  HA   . PRO A 1 51  ? 15.45200 8.40600  -8.66500  1.000 70.38175  ? 370 PRO A HA   1 
ATOM   710  H  HB2  . PRO A 1 51  ? 16.23600 9.26100  -6.34700  1.000 58.72707  ? 370 PRO A HB2  1 
ATOM   711  H  HB3  . PRO A 1 51  ? 14.82100 9.72000  -6.81700  1.000 58.72707  ? 370 PRO A HB3  1 
ATOM   712  H  HG2  . PRO A 1 51  ? 15.40800 7.63200  -5.03100  1.000 77.26994  ? 370 PRO A HG2  1 
ATOM   713  H  HG3  . PRO A 1 51  ? 14.26400 8.68300  -4.89400  1.000 77.26994  ? 370 PRO A HG3  1 
ATOM   714  H  HD2  . PRO A 1 51  ? 13.79900 6.28400  -5.80900  1.000 85.74667  ? 370 PRO A HD2  1 
ATOM   715  H  HD3  . PRO A 1 51  ? 12.85900 7.47900  -6.15600  1.000 85.74667  ? 370 PRO A HD3  1 
ATOM   716  N  N    . THR A 1 52  ? 17.70100 7.63400  -8.54400  1.000 45.12226  ? 371 THR A N    1 
ATOM   717  C  CA   . THR A 1 52  ? 19.04800 7.09300  -8.44700  1.000 35.51959  ? 371 THR A CA   1 
ATOM   718  C  C    . THR A 1 52  ? 19.83400 7.84900  -7.38600  1.000 33.53790  ? 371 THR A C    1 
ATOM   719  O  O    . THR A 1 52  ? 19.52400 8.99000  -7.03600  1.000 40.33773  ? 371 THR A O    1 
ATOM   720  C  CB   . THR A 1 52  ? 19.79800 7.16900  -9.78000  1.000 36.09312  ? 371 THR A CB   1 
ATOM   721  O  OG1  . THR A 1 52  ? 20.08300 8.53500  -10.10900 1.000 45.29816  ? 371 THR A OG1  1 
ATOM   722  C  CG2  . THR A 1 52  ? 18.98900 6.54800  -10.88500 1.000 40.80226  ? 371 THR A CG2  1 
ATOM   723  H  H    . THR A 1 52  ? 17.59800 8.24900  -9.13600  1.000 54.63164  ? 371 THR A H    1 
ATOM   724  H  HA   . THR A 1 52  ? 18.96600 6.15800  -8.20300  1.000 42.63988  ? 371 THR A HA   1 
ATOM   725  H  HB   . THR A 1 52  ? 20.62900 6.67800  -9.68600  1.000 43.79668  ? 371 THR A HB   1 
ATOM   726  H  HG1  . THR A 1 52  ? 20.81300 8.57700  -10.52200 1.000 54.84272  ? 371 THR A HG1  1 
ATOM   727  H  HG21 . THR A 1 52  ? 19.48100 6.60700  -11.71900 1.000 49.44765  ? 371 THR A HG21 1 
ATOM   728  H  HG22 . THR A 1 52  ? 18.81700 5.61600  -10.67600 1.000 49.44765  ? 371 THR A HG22 1 
ATOM   729  H  HG23 . THR A 1 52  ? 18.14600 7.02000  -10.97400 1.000 49.44765  ? 371 THR A HG23 1 
ATOM   730  N  N    . LYS A 1 53  ? 20.86800 7.18700  -6.87200  1.000 46.18171  ? 372 LYS A N    1 
ATOM   731  C  CA   . LYS A 1 53  ? 21.74600 7.83500  -5.92800  1.000 33.13540  ? 372 LYS A CA   1 
ATOM   732  C  C    . LYS A 1 53  ? 22.54000 8.96700  -6.58600  1.000 35.34260  ? 372 LYS A C    1 
ATOM   733  O  O    . LYS A 1 53  ? 22.72500 10.02700 -5.99500  1.000 35.82392  ? 372 LYS A O    1 
ATOM   734  C  CB   . LYS A 1 53  ? 22.64500 6.77300  -5.22500  1.000 44.58870  ? 372 LYS A CB   1 
ATOM   735  C  CG   . LYS A 1 53  ? 21.88000 5.70000  -4.38100  1.000 40.45073  ? 372 LYS A CG   1 
ATOM   736  C  CD   . LYS A 1 53  ? 22.75800 4.89500  -3.43400  1.000 72.39907  ? 372 LYS A CD   1 
ATOM   737  C  CE   . LYS A 1 53  ? 22.21200 3.50000  -3.03400  1.000 68.62229  ? 372 LYS A CE   1 
ATOM   738  N  NZ   . LYS A 1 53  ? 22.24200 2.49000  -4.14400  1.000 64.21106  ? 372 LYS A NZ   1 
ATOM   739  H  H    . LYS A 1 53  ? 21.07000 6.37200  -7.05900  1.000 55.90298  ? 372 LYS A H    1 
ATOM   740  H  HA   . LYS A 1 53  ? 21.21500 8.26200  -5.23700  1.000 40.24741  ? 372 LYS A HA   1 
ATOM   741  H  HB2  . LYS A 1 53  ? 23.17000 6.31700  -5.90100  1.000 53.99138  ? 372 LYS A HB2  1 
ATOM   742  H  HB3  . LYS A 1 53  ? 23.27000 7.23400  -4.64400  1.000 53.99138  ? 372 LYS A HB3  1 
ATOM   743  H  HG2  . LYS A 1 53  ? 21.19000 6.14400  -3.86400  1.000 49.02581  ? 372 LYS A HG2  1 
ATOM   744  H  HG3  . LYS A 1 53  ? 21.43200 5.08900  -4.98600  1.000 49.02581  ? 372 LYS A HG3  1 
ATOM   745  H  HD2  . LYS A 1 53  ? 23.62800 4.77700  -3.84700  1.000 87.36382  ? 372 LYS A HD2  1 
ATOM   746  H  HD3  . LYS A 1 53  ? 22.89500 5.41400  -2.62600  1.000 87.36382  ? 372 LYS A HD3  1 
ATOM   747  H  HE2  . LYS A 1 53  ? 22.73100 3.16200  -2.28800  1.000 82.83168  ? 372 LYS A HE2  1 
ATOM   748  H  HE3  . LYS A 1 53  ? 21.29800 3.59800  -2.72300  1.000 82.83168  ? 372 LYS A HE3  1 
ATOM   749  H  HZ1  . LYS A 1 53  ? 21.61300 1.87600  -4.00500  1.000 77.53821  ? 372 LYS A HZ1  1 
ATOM   750  H  HZ2  . LYS A 1 53  ? 22.09200 2.89800  -4.92100  1.000 77.53821  ? 372 LYS A HZ2  1 
ATOM   751  H  HZ3  . LYS A 1 53  ? 23.04000 2.09600  -4.16600  1.000 77.53821  ? 372 LYS A HZ3  1 
ATOM   752  N  N    . HIS A 1 54  ? 22.97300 8.78300  -7.84600  1.000 37.44458  ? 373 HIS A N    1 
ATOM   753  C  CA   . HIS A 1 54  ? 23.69400 9.86900  -8.51600  1.000 31.52741  ? 373 HIS A CA   1 
ATOM   754  C  C    . HIS A 1 54  ? 22.82100 11.10700 -8.67800  1.000 26.54433  ? 373 HIS A C    1 
ATOM   755  O  O    . HIS A 1 54  ? 23.32700 12.23300 -8.61000  1.000 32.31240  ? 373 HIS A O    1 
ATOM   756  C  CB   . HIS A 1 54  ? 24.24800 9.46200  -9.89600  1.000 40.11514  ? 373 HIS A CB   1 
ATOM   757  C  CG   . HIS A 1 54  ? 25.22800 10.46300 -10.43700 1.000 34.40718  ? 373 HIS A CG   1 
ATOM   758  N  ND1  . HIS A 1 54  ? 24.80100 11.60700 -11.06500 1.000 37.19703  ? 373 HIS A ND1  1 
ATOM   759  C  CD2  . HIS A 1 54  ? 26.56300 10.51000 -10.31100 1.000 28.71113  ? 373 HIS A CD2  1 
ATOM   760  C  CE1  . HIS A 1 54  ? 25.89400 12.31700 -11.31200 1.000 34.58547  ? 373 HIS A CE1  1 
ATOM   761  N  NE2  . HIS A 1 54  ? 26.97600 11.68400 -10.86200 1.000 40.18878  ? 373 HIS A NE2  1 
ATOM   762  H  H    . HIS A 1 54  ? 22.86400 8.06700  -8.31000  1.000 45.41843  ? 373 HIS A H    1 
ATOM   763  H  HA   . HIS A 1 54  ? 24.44500 10.07400 -7.93700  1.000 38.31782  ? 373 HIS A HA   1 
ATOM   764  H  HB2  . HIS A 1 54  ? 24.67900 8.59600  -9.82600  1.000 48.62310  ? 373 HIS A HB2  1 
ATOM   765  H  HB3  . HIS A 1 54  ? 23.51300 9.36300  -10.52100 1.000 48.62310  ? 373 HIS A HB3  1 
ATOM   766  H  HD1  . HIS A 1 54  ? 23.99100 11.82000 -11.25900 1.000 45.12136  ? 373 HIS A HD1  1 
ATOM   767  H  HD2  . HIS A 1 54  ? 27.10400 9.86200  -9.92100  1.000 34.93828  ? 373 HIS A HD2  1 
ATOM   768  H  HE1  . HIS A 1 54  ? 25.90300 13.14300 -11.74000 1.000 41.98750  ? 373 HIS A HE1  1 
ATOM   769  N  N    . ALA A 1 55  ? 21.51600 10.92700 -8.89300  1.000 36.58448  ? 374 ALA A N    1 
ATOM   770  C  CA   . ALA A 1 55  ? 20.63300 12.08000 -9.03500  1.000 42.21491  ? 374 ALA A CA   1 
ATOM   771  C  C    . ALA A 1 55  ? 20.42200 12.79300 -7.70600  1.000 30.73471  ? 374 ALA A C    1 
ATOM   772  O  O    . ALA A 1 55  ? 20.24200 14.01600 -7.68200  1.000 33.56683  ? 374 ALA A O    1 
ATOM   773  C  CB   . ALA A 1 55  ? 19.29200 11.64900 -9.62600  1.000 38.19954  ? 374 ALA A CB   1 
ATOM   774  H  H    . ALA A 1 55  ? 21.13100 10.16100 -8.95800  1.000 44.38631  ? 374 ALA A H    1 
ATOM   775  H  HA   . ALA A 1 55  ? 21.06000 12.70700 -9.64000  1.000 51.14282  ? 374 ALA A HA   1 
ATOM   776  H  HB1  . ALA A 1 55  ? 18.71400 12.42300 -9.71600  1.000 46.32438  ? 374 ALA A HB1  1 
ATOM   777  H  HB2  . ALA A 1 55  ? 19.43600 11.25100 -10.49900 1.000 46.32438  ? 374 ALA A HB2  1 
ATOM   778  H  HB3  . ALA A 1 55  ? 18.87300 11.00000 -9.04000  1.000 46.32438  ? 374 ALA A HB3  1 
ATOM   779  N  N    . ILE A 1 56  ? 20.44000 12.05300 -6.59500  1.000 40.73125  ? 375 ILE A N    1 
ATOM   780  C  CA   . ILE A 1 56  ? 20.28800 12.67600 -5.28400  1.000 40.57190  ? 375 ILE A CA   1 
ATOM   781  C  C    . ILE A 1 56  ? 21.57100 13.39300 -4.88300  1.000 27.20125  ? 375 ILE A C    1 
ATOM   782  O  O    . ILE A 1 56  ? 21.53500 14.50600 -4.34400  1.000 33.99631  ? 375 ILE A O    1 
ATOM   783  C  CB   . ILE A 1 56  ? 19.87500 11.62000 -4.24300  1.000 31.48114  ? 375 ILE A CB   1 
ATOM   784  C  CG1  . ILE A 1 56  ? 18.53600 10.99000 -4.63100  1.000 42.34085  ? 375 ILE A CG1  1 
ATOM   785  C  CG2  . ILE A 1 56  ? 19.80100 12.23400 -2.85300  1.000 41.91532  ? 375 ILE A CG2  1 
ATOM   786  C  CD1  . ILE A 1 56  ? 18.09400 9.87600  -3.71000  1.000 57.30282  ? 375 ILE A CD1  1 
ATOM   787  H  H    . ILE A 1 56  ? 20.53800 11.19900 -6.58100  1.000 49.36243  ? 375 ILE A H    1 
ATOM   788  H  HA   . ILE A 1 56  ? 19.58400 13.34200 -5.32700  1.000 49.17121  ? 375 ILE A HA   1 
ATOM   789  H  HB   . ILE A 1 56  ? 20.54900 10.92300 -4.22600  1.000 38.26230  ? 375 ILE A HB   1 
ATOM   790  H  HG12 . ILE A 1 56  ? 17.85400 11.68000 -4.64000  1.000 51.29395  ? 375 ILE A HG12 1 
ATOM   791  H  HG13 . ILE A 1 56  ? 18.60100 10.64400 -5.53500  1.000 51.29395  ? 375 ILE A HG13 1 
ATOM   792  H  HG21 . ILE A 1 56  ? 19.54000 11.55400 -2.21200  1.000 50.78332  ? 375 ILE A HG21 1 
ATOM   793  H  HG22 . ILE A 1 56  ? 20.67000 12.59000 -2.61000  1.000 50.78332  ? 375 ILE A HG22 1 
ATOM   794  H  HG23 . ILE A 1 56  ? 19.14600 12.95000 -2.85000  1.000 50.78332  ? 375 ILE A HG23 1 
ATOM   795  H  HD11 . ILE A 1 56  ? 17.24200 9.52400  -4.01300  1.000 69.24832  ? 375 ILE A HD11 1 
ATOM   796  H  HD12 . ILE A 1 56  ? 18.75700 9.16800  -3.71700  1.000 69.24832  ? 375 ILE A HD12 1 
ATOM   797  H  HD13 . ILE A 1 56  ? 17.99900 10.22000 -2.80800  1.000 69.24832  ? 375 ILE A HD13 1 
ATOM   798  N  N    . VAL A 1 57  ? 22.72300 12.77100 -5.14200  1.000 29.51260  ? 376 VAL A N    1 
ATOM   799  C  CA   . VAL A 1 57  ? 24.00400 13.39700 -4.82700  1.000 44.05405  ? 376 VAL A CA   1 
ATOM   800  C  C    . VAL A 1 57  ? 24.25100 14.65100 -5.65600  1.000 47.40336  ? 376 VAL A C    1 
ATOM   801  O  O    . VAL A 1 57  ? 24.59300 15.69900 -5.16100  1.000 34.57869  ? 376 VAL A O    1 
ATOM   802  C  CB   . VAL A 1 57  ? 25.12600 12.39300 -5.08800  1.000 39.08554  ? 376 VAL A CB   1 
ATOM   803  C  CG1  . VAL A 1 57  ? 26.47100 13.09700 -5.24500  1.000 52.99573  ? 376 VAL A CG1  1 
ATOM   804  C  CG2  . VAL A 1 57  ? 25.16900 11.40000 -3.98400  1.000 44.42220  ? 376 VAL A CG2  1 
ATOM   805  H  H    . VAL A 1 57  ? 22.78200 11.99000 -5.49800  1.000 35.90005  ? 376 VAL A H    1 
ATOM   806  H  HA   . VAL A 1 57  ? 23.98500 13.66000 -3.89400  1.000 53.34980  ? 376 VAL A HA   1 
ATOM   807  H  HB   . VAL A 1 57  ? 24.94500 11.93100 -5.92100  1.000 47.38758  ? 376 VAL A HB   1 
ATOM   808  H  HG11 . VAL A 1 57  ? 27.16400 12.43800 -5.40900  1.000 64.07981  ? 376 VAL A HG11 1 
ATOM   809  H  HG12 . VAL A 1 57  ? 26.42800 13.71400 -5.99200  1.000 64.07981  ? 376 VAL A HG12 1 
ATOM   810  H  HG13 . VAL A 1 57  ? 26.67700 13.58700 -4.43300  1.000 64.07981  ? 376 VAL A HG13 1 
ATOM   811  H  HG21 . VAL A 1 57  ? 25.88100 10.76300 -4.14900  1.000 53.79157  ? 376 VAL A HG21 1 
ATOM   812  H  HG22 . VAL A 1 57  ? 25.33300 11.85700 -3.14400  1.000 53.79157  ? 376 VAL A HG22 1 
ATOM   813  H  HG23 . VAL A 1 57  ? 24.32100 10.93200 -3.93700  1.000 53.79157  ? 376 VAL A HG23 1 
ATOM   814  N  N    . GLN A 1 58  ? 23.94500 14.57900 -6.94800  1.000 36.72342  ? 377 GLN A N    1 
ATOM   815  C  CA   . GLN A 1 58  ? 24.14300 15.74500 -7.77100  1.000 33.13786  ? 377 GLN A CA   1 
ATOM   816  C  C    . GLN A 1 58  ? 23.20000 16.86200 -7.40700  1.000 26.29560  ? 377 GLN A C    1 
ATOM   817  O  O    . GLN A 1 58  ? 23.59800 18.02000 -7.34200  1.000 39.43228  ? 377 GLN A O    1 
ATOM   818  C  CB   . GLN A 1 58  ? 23.93800 15.39800 -9.29400  1.000 31.41358  ? 377 GLN A CB   1 
ATOM   819  C  CG   . GLN A 1 58  ? 24.48300 16.54600 -10.12900 1.000 30.93474  ? 377 GLN A CG   1 
ATOM   820  C  CD   . GLN A 1 58  ? 24.49500 16.20100 -11.63500 1.000 33.66235  ? 377 GLN A CD   1 
ATOM   821  O  OE1  . GLN A 1 58  ? 24.70600 15.06100 -11.98400 1.000 33.99476  ? 377 GLN A OE1  1 
ATOM   822  N  NE2  . GLN A 1 58  ? 24.07900 17.16500 -12.45900 1.000 45.66529  ? 377 GLN A NE2  1 
ATOM   823  H  H    . GLN A 1 58  ? 23.63200 13.88600 -7.34900  1.000 44.55303  ? 377 GLN A H    1 
ATOM   824  H  HA   . GLN A 1 58  ? 25.05400 16.03900 -7.61400  1.000 40.25036  ? 377 GLN A HA   1 
ATOM   825  H  HB2  . GLN A 1 58  ? 24.39600 14.57300 -9.51600  1.000 38.18123  ? 377 GLN A HB2  1 
ATOM   826  H  HB3  . GLN A 1 58  ? 22.99700 15.26000 -9.48400  1.000 38.18123  ? 377 GLN A HB3  1 
ATOM   827  H  HG2  . GLN A 1 58  ? 23.94300 17.33800 -9.98200  1.000 37.60662  ? 377 GLN A HG2  1 
ATOM   828  H  HG3  . GLN A 1 58  ? 25.38400 16.75900 -9.83800  1.000 37.60662  ? 377 GLN A HG3  1 
ATOM   829  H  HE21 . GLN A 1 58  ? 23.94400 17.95900 -12.15800 1.000 55.28328  ? 377 GLN A HE21 1 
ATOM   830  H  HE22 . GLN A 1 58  ? 23.94600 16.99200 -13.29100 1.000 55.28328  ? 377 GLN A HE22 1 
ATOM   831  N  N    . THR A 1 59  ? 21.93400 16.54100 -7.17100  1.000 30.97797  ? 378 THR A N    1 
ATOM   832  C  CA   . THR A 1 59  ? 21.04400 17.58800 -6.66300  1.000 31.03960  ? 378 THR A CA   1 
ATOM   833  C  C    . THR A 1 59  ? 21.50600 18.30000 -5.39300  1.000 41.44693  ? 378 THR A C    1 
ATOM   834  O  O    . THR A 1 59  ? 21.40600 19.52200 -5.24900  1.000 40.59507  ? 378 THR A O    1 
ATOM   835  C  CB   . THR A 1 59  ? 19.69600 16.99300 -6.42300  1.000 36.85014  ? 378 THR A CB   1 
ATOM   836  O  OG1  . THR A 1 59  ? 19.26600 16.37600 -7.64000  1.000 46.48107  ? 378 THR A OG1  1 
ATOM   837  C  CG2  . THR A 1 59  ? 18.66900 18.08200 -5.96700  1.000 37.40025  ? 378 THR A CG2  1 
ATOM   838  H  H    . THR A 1 59  ? 21.58000 15.76600 -7.28900  1.000 37.65850  ? 378 THR A H    1 
ATOM   839  H  HA   . THR A 1 59  ? 21.03700 18.27500 -7.34800  1.000 37.73246  ? 378 THR A HA   1 
ATOM   840  H  HB   . THR A 1 59  ? 19.74900 16.33700 -5.71100  1.000 44.70510  ? 378 THR A HB   1 
ATOM   841  H  HG1  . THR A 1 59  ? 19.55100 15.58700 -7.67000  1.000 56.26222  ? 378 THR A HG1  1 
ATOM   842  H  HG21 . THR A 1 59  ? 17.80400 17.66900 -5.81800  1.000 45.36523  ? 378 THR A HG21 1 
ATOM   843  H  HG22 . THR A 1 59  ? 18.97700 18.49300 -5.14400  1.000 45.36523  ? 378 THR A HG22 1 
ATOM   844  H  HG23 . THR A 1 59  ? 18.58900 18.76000 -6.65600  1.000 45.36523  ? 378 THR A HG23 1 
ATOM   845  N  N    . LEU A 1 60  ? 22.15900 17.55600 -4.49500  1.000 35.77386  ? 379 LEU A N    1 
ATOM   846  C  CA   . LEU A 1 60  ? 22.64400 18.18200 -3.27200  1.000 38.35171  ? 379 LEU A CA   1 
ATOM   847  C  C    . LEU A 1 60  ? 23.88400 19.02500 -3.54200  1.000 38.98371  ? 379 LEU A C    1 
ATOM   848  O  O    . LEU A 1 60  ? 24.03100 20.08200 -2.97200  1.000 33.38561  ? 379 LEU A O    1 
ATOM   849  C  CB   . LEU A 1 60  ? 22.97500 17.10600 -2.22500  1.000 40.85242  ? 379 LEU A CB   1 
ATOM   850  C  CG   . LEU A 1 60  ? 21.74500 16.40000 -1.62800  1.000 51.40211  ? 379 LEU A CG   1 
ATOM   851  C  CD1  . LEU A 1 60  ? 22.12200 14.98600 -0.99000  1.000 53.05166  ? 379 LEU A CD1  1 
ATOM   852  C  CD2  . LEU A 1 60  ? 21.11900 17.26600 -0.51300  1.000 45.76064  ? 379 LEU A CD2  1 
ATOM   853  H  H    . LEU A 1 60  ? 22.32500 16.71600 -4.57300  1.000 43.41356  ? 379 LEU A H    1 
ATOM   854  H  HA   . LEU A 1 60  ? 21.94300 18.76200 -2.93400  1.000 46.50698  ? 379 LEU A HA   1 
ATOM   855  H  HB2  . LEU A 1 60  ? 23.55000 16.44000 -2.63300  1.000 49.50784  ? 379 LEU A HB2  1 
ATOM   856  H  HB3  . LEU A 1 60  ? 23.48000 17.51500 -1.50500  1.000 49.50784  ? 379 LEU A HB3  1 
ATOM   857  H  HG   . LEU A 1 60  ? 21.11900 16.26700 -2.35700  1.000 62.16747  ? 379 LEU A HG   1 
ATOM   858  H  HD11 . LEU A 1 60  ? 21.32400 14.57200 -0.62500  1.000 64.14692  ? 379 LEU A HD11 1 
ATOM   859  H  HD12 . LEU A 1 60  ? 22.49900 14.41200 -1.67500  1.000 64.14692  ? 379 LEU A HD12 1 
ATOM   860  H  HD13 . LEU A 1 60  ? 22.77200 15.11300 -0.28200  1.000 64.14692  ? 379 LEU A HD13 1 
ATOM   861  H  HD21 . LEU A 1 60  ? 20.34600 16.81100 -0.14500  1.000 55.39771  ? 379 LEU A HD21 1 
ATOM   862  H  HD22 . LEU A 1 60  ? 21.77200 17.41200 0.18900   1.000 55.39771  ? 379 LEU A HD22 1 
ATOM   863  H  HD23 . LEU A 1 60  ? 20.84600 18.12000 -0.88200  1.000 55.39771  ? 379 LEU A HD23 1 
ATOM   864  N  N    . VAL A 1 61  ? 24.75300 18.58300 -4.48500  1.000 42.23167  ? 380 VAL A N    1 
ATOM   865  C  CA   . VAL A 1 61  ? 25.92900 19.37900 -4.81800  1.000 42.02367  ? 380 VAL A CA   1 
ATOM   866  C  C    . VAL A 1 61  ? 25.52400 20.64800 -5.55700  1.000 36.98246  ? 380 VAL A C    1 
ATOM   867  O  O    . VAL A 1 61  ? 26.10100 21.71300 -5.35200  1.000 42.11156  ? 380 VAL A O    1 
ATOM   868  C  CB   . VAL A 1 61  ? 26.94300 18.61600 -5.67300  1.000 31.43878  ? 380 VAL A CB   1 
ATOM   869  C  CG1  . VAL A 1 61  ? 28.10800 19.49600 -5.97300  1.000 45.51578  ? 380 VAL A CG1  1 
ATOM   870  C  CG2  . VAL A 1 61  ? 27.42400 17.37600 -4.99000  1.000 47.18894  ? 380 VAL A CG2  1 
ATOM   871  H  H    . VAL A 1 61  ? 24.67200 17.84700 -4.92300  1.000 51.16294  ? 380 VAL A H    1 
ATOM   872  H  HA   . VAL A 1 61  ? 26.35300 19.59800 -3.97300  1.000 50.91333  ? 380 VAL A HA   1 
ATOM   873  H  HB   . VAL A 1 61  ? 26.49900 18.35400 -6.49400  1.000 38.21147  ? 380 VAL A HB   1 
ATOM   874  H  HG11 . VAL A 1 61  ? 28.74900 19.01000 -6.51500  1.000 55.10387  ? 380 VAL A HG11 1 
ATOM   875  H  HG12 . VAL A 1 61  ? 27.80500 20.28100 -6.45600  1.000 55.10387  ? 380 VAL A HG12 1 
ATOM   876  H  HG13 . VAL A 1 61  ? 28.52900 19.77000 -5.14300  1.000 55.10387  ? 380 VAL A HG13 1 
ATOM   877  H  HG21 . VAL A 1 61  ? 28.06300 16.92000 -5.56000  1.000 57.11166  ? 380 VAL A HG21 1 
ATOM   878  H  HG22 . VAL A 1 61  ? 27.85000 17.61300 -4.15100  1.000 57.11166  ? 380 VAL A HG22 1 
ATOM   879  H  HG23 . VAL A 1 61  ? 26.67100 16.79000 -4.81500  1.000 57.11166  ? 380 VAL A HG23 1 
ATOM   880  N  N    . HIS A 1 62  ? 24.50200 20.52000 -6.37400  1.000 30.73954  ? 381 HIS A N    1 
ATOM   881  C  CA   . HIS A 1 62  ? 23.91200 21.69100 -7.01100  1.000 36.74585  ? 381 HIS A CA   1 
ATOM   882  C  C    . HIS A 1 62  ? 23.49900 22.74700 -5.98100  1.000 43.83572  ? 381 HIS A C    1 
ATOM   883  O  O    . HIS A 1 62  ? 23.77900 23.95000 -6.11600  1.000 42.47189  ? 381 HIS A O    1 
ATOM   884  C  CB   . HIS A 1 62  ? 22.71000 21.32100 -7.89100  1.000 32.13869  ? 381 HIS A CB   1 
ATOM   885  C  CG   . HIS A 1 62  ? 22.00300 22.54500 -8.38900  1.000 40.45253  ? 381 HIS A CG   1 
ATOM   886  N  ND1  . HIS A 1 62  ? 22.53300 23.33200 -9.40600  1.000 42.94333  ? 381 HIS A ND1  1 
ATOM   887  C  CD2  . HIS A 1 62  ? 20.84500 23.12100 -7.97000  1.000 45.66975  ? 381 HIS A CD2  1 
ATOM   888  C  CE1  . HIS A 1 62  ? 21.67400 24.32600 -9.59800  1.000 52.20205  ? 381 HIS A CE1  1 
ATOM   889  N  NE2  . HIS A 1 62  ? 20.64400 24.23800 -8.76000  1.000 45.29753  ? 381 HIS A NE2  1 
ATOM   890  H  H    . HIS A 1 62  ? 24.13100 19.77100 -6.57700  1.000 37.37239  ? 381 HIS A H    1 
ATOM   891  H  HA   . HIS A 1 62  ? 24.60100 22.06800 -7.58100  1.000 44.57996  ? 381 HIS A HA   1 
ATOM   892  H  HB2  . HIS A 1 62  ? 23.01000 20.78900 -8.64500  1.000 39.05136  ? 381 HIS A HB2  1 
ATOM   893  H  HB3  . HIS A 1 62  ? 22.09200 20.77200 -7.38400  1.000 39.05136  ? 381 HIS A HB3  1 
ATOM   894  H  HD1  . HIS A 1 62  ? 23.27100 23.20100 -9.82700  1.000 52.01692  ? 381 HIS A HD1  1 
ATOM   895  H  HD2  . HIS A 1 62  ? 20.29400 22.82100 -7.28400  1.000 55.28863  ? 381 HIS A HD2  1 
ATOM   896  H  HE1  . HIS A 1 62  ? 21.77800 24.99600 -10.23500 1.000 63.12739  ? 381 HIS A HE1  1 
ATOM   897  N  N    . LEU A 1 63  ? 22.89700 22.30900 -4.88000  1.000 48.46920  ? 382 LEU A N    1 
ATOM   898  C  CA   . LEU A 1 63  ? 22.42700 23.28800 -3.88800  1.000 35.57627  ? 382 LEU A CA   1 
ATOM   899  C  C    . LEU A 1 63  ? 23.56300 24.09800 -3.27900  1.000 36.35141  ? 382 LEU A C    1 
ATOM   900  O  O    . LEU A 1 63  ? 23.45900 25.30700 -3.12000  1.000 49.16941  ? 382 LEU A O    1 
ATOM   901  C  CB   . LEU A 1 63  ? 21.65500 22.62100 -2.77900  1.000 57.14707  ? 382 LEU A CB   1 
ATOM   902  C  CG   . LEU A 1 63  ? 20.29800 22.09800 -3.18200  1.000 75.66694  ? 382 LEU A CG   1 
ATOM   903  C  CD1  . LEU A 1 63  ? 19.66800 21.43000 -2.05400  1.000 68.96578  ? 382 LEU A CD1  1 
ATOM   904  C  CD2  . LEU A 1 63  ? 19.31100 23.22400 -3.71100  1.000 64.88943  ? 382 LEU A CD2  1 
ATOM   905  H  H    . LEU A 1 63  ? 22.75200 21.48400 -4.68700  1.000 58.64798  ? 382 LEU A H    1 
ATOM   906  H  HA   . LEU A 1 63  ? 21.84500 23.89400 -4.37300  1.000 43.17646  ? 382 LEU A HA   1 
ATOM   907  H  HB2  . LEU A 1 63  ? 22.18200 21.88400 -2.43200  1.000 69.06141  ? 382 LEU A HB2  1 
ATOM   908  H  HB3  . LEU A 1 63  ? 21.54200 23.25500 -2.05400  1.000 69.06141  ? 382 LEU A HB3  1 
ATOM   909  H  HG   . LEU A 1 63  ? 20.45800 21.48200 -3.91400  1.000 91.28526  ? 382 LEU A HG   1 
ATOM   910  H  HD11 . LEU A 1 63  ? 18.79700 21.09700 -2.32000  1.000 83.24387  ? 382 LEU A HD11 1 
ATOM   911  H  HD12 . LEU A 1 63  ? 20.22300 20.68900 -1.76600  1.000 83.24387  ? 382 LEU A HD12 1 
ATOM   912  H  HD13 . LEU A 1 63  ? 19.56300 22.05900 -1.32300  1.000 83.24387  ? 382 LEU A HD13 1 
ATOM   913  H  HD21 . LEU A 1 63  ? 18.46100 22.82300 -3.95200  1.000 78.35225  ? 382 LEU A HD21 1 
ATOM   914  H  HD22 . LEU A 1 63  ? 19.17000 23.88500 -3.01500  1.000 78.35225  ? 382 LEU A HD22 1 
ATOM   915  H  HD23 . LEU A 1 63  ? 19.69800 23.65300 -4.49000  1.000 78.35225  ? 382 LEU A HD23 1 
ATOM   916  N  N    . LYS A 1 64  ? 24.66300 23.41600 -3.05600  1.000 48.56961  ? 383 LYS A N    1 
ATOM   917  C  CA   . LYS A 1 64  ? 25.84700 23.99500 -2.46000  1.000 53.16481  ? 383 LYS A CA   1 
ATOM   918  C  C    . LYS A 1 64  ? 26.65500 24.82900 -3.43800  1.000 47.48484  ? 383 LYS A C    1 
ATOM   919  O  O    . LYS A 1 64  ? 27.21000 25.83300 -3.05400  1.000 57.07939  ? 383 LYS A O    1 
ATOM   920  C  CB   . LYS A 1 64  ? 26.69100 22.82300 -1.92900  1.000 52.96303  ? 383 LYS A CB   1 
ATOM   921  C  CG   . LYS A 1 64  ? 27.73400 23.14800 -0.87200  1.000 70.64535  ? 383 LYS A CG   1 
ATOM   922  C  CD   . LYS A 1 64  ? 27.10900 23.63000 0.40300   1.000 71.53310  ? 383 LYS A CD   1 
ATOM   923  C  CE   . LYS A 1 64  ? 28.09900 23.90200 1.50000   1.000 86.74209  ? 383 LYS A CE   1 
ATOM   924  N  NZ   . LYS A 1 64  ? 28.64000 22.64300 2.03300   1.000 94.59725  ? 383 LYS A NZ   1 
ATOM   925  H  H    . LYS A 1 64  ? 24.74700 22.58300 -3.25100  1.000 58.76846  ? 383 LYS A H    1 
ATOM   926  H  HA   . LYS A 1 64  ? 25.58600 24.60500 -1.75200  1.000 64.28271  ? 383 LYS A HA   1 
ATOM   927  H  HB2  . LYS A 1 64  ? 26.08700 22.15800 -1.56200  1.000 64.04057  ? 383 LYS A HB2  1 
ATOM   928  H  HB3  . LYS A 1 64  ? 27.14300 22.41100 -2.68200  1.000 64.04057  ? 383 LYS A HB3  1 
ATOM   929  H  HG2  . LYS A 1 64  ? 28.26800 22.35800 -0.69200  1.000 85.25935  ? 383 LYS A HG2  1 
ATOM   930  H  HG3  . LYS A 1 64  ? 28.33800 23.82700 -1.21200  1.000 85.25935  ? 383 LYS A HG3  1 
ATOM   931  H  HD2  . LYS A 1 64  ? 26.60900 24.44100 0.22200   1.000 86.32465  ? 383 LYS A HD2  1 
ATOM   932  H  HD3  . LYS A 1 64  ? 26.47200 22.96700 0.71100   1.000 86.32465  ? 383 LYS A HD3  1 
ATOM   933  H  HE2  . LYS A 1 64  ? 28.82200 24.45300 1.16100   1.000 104.57544 ? 383 LYS A HE2  1 
ATOM   934  H  HE3  . LYS A 1 64  ? 27.67100 24.40300 2.21200   1.000 104.57544 ? 383 LYS A HE3  1 
ATOM   935  H  HZ1  . LYS A 1 64  ? 29.15600 22.81600 2.73700   1.000 114.00164 ? 383 LYS A HZ1  1 
ATOM   936  H  HZ2  . LYS A 1 64  ? 27.96900 22.11300 2.28100   1.000 114.00164 ? 383 LYS A HZ2  1 
ATOM   937  H  HZ3  . LYS A 1 64  ? 29.12200 22.23700 1.40500   1.000 114.00164 ? 383 LYS A HZ3  1 
ATOM   938  N  N    . PHE A 1 65  ? 26.71100 24.40600 -4.71700  1.000 50.03705  ? 384 PHE A N    1 
ATOM   939  C  CA   . PHE A 1 65  ? 27.51800 25.07300 -5.73000  1.000 55.68647  ? 384 PHE A CA   1 
ATOM   940  C  C    . PHE A 1 65  ? 26.68500 25.29200 -6.98100  1.000 54.41745  ? 384 PHE A C    1 
ATOM   941  O  O    . PHE A 1 65  ? 26.92200 24.65200 -8.01300  1.000 55.42457  ? 384 PHE A O    1 
ATOM   942  C  CB   . PHE A 1 65  ? 28.75600 24.22000 -6.08000  1.000 53.47873  ? 384 PHE A CB   1 
ATOM   943  C  CG   . PHE A 1 65  ? 29.65800 23.86400 -4.92900  1.000 59.55372  ? 384 PHE A CG   1 
ATOM   944  C  CD1  . PHE A 1 65  ? 30.54500 24.78500 -4.41200  1.000 66.60298  ? 384 PHE A CD1  1 
ATOM   945  C  CD2  . PHE A 1 65  ? 29.60000 22.61700 -4.34800  1.000 59.82215  ? 384 PHE A CD2  1 
ATOM   946  C  CE1  . PHE A 1 65  ? 31.36500 24.45600 -3.33200  1.000 69.80492  ? 384 PHE A CE1  1 
ATOM   947  C  CE2  . PHE A 1 65  ? 30.42600 22.28800 -3.27200  1.000 58.63706  ? 384 PHE A CE2  1 
ATOM   948  C  CZ   . PHE A 1 65  ? 31.30800 23.20100 -2.77700  1.000 58.76704  ? 384 PHE A CZ   1 
ATOM   949  H  H    . PHE A 1 65  ? 26.27800 23.72300 -5.01000  1.000 60.52939  ? 384 PHE A H    1 
ATOM   950  H  HA   . PHE A 1 65  ? 27.81400 25.92800 -5.38000  1.000 67.30870  ? 384 PHE A HA   1 
ATOM   951  H  HB2  . PHE A 1 65  ? 28.45300 23.39800 -6.49700  1.000 64.65941  ? 384 PHE A HB2  1 
ATOM   952  H  HB3  . PHE A 1 65  ? 29.27900 24.69800 -6.74200  1.000 64.65941  ? 384 PHE A HB3  1 
ATOM   953  H  HD1  . PHE A 1 65  ? 30.59700 25.63400 -4.78700  1.000 80.40851  ? 384 PHE A HD1  1 
ATOM   954  H  HD2  . PHE A 1 65  ? 29.00200 21.98500 -4.67700  1.000 72.27151  ? 384 PHE A HD2  1 
ATOM   955  H  HE1  . PHE A 1 65  ? 31.95200 25.08900 -2.98700  1.000 84.25084  ? 384 PHE A HE1  1 
ATOM   956  H  HE2  . PHE A 1 65  ? 30.37400 21.44100 -2.89100  1.000 70.84940  ? 384 PHE A HE2  1 
ATOM   957  H  HZ   . PHE A 1 65  ? 31.86700 22.97600 -2.06900  1.000 71.00538  ? 384 PHE A HZ   1 
ATOM   958  N  N    . PRO A 1 66  ? 25.65400 26.16800 -6.93400  1.000 40.45648  ? 385 PRO A N    1 
ATOM   959  C  CA   . PRO A 1 66  ? 24.66600 26.20800 -7.97800  1.000 46.11331  ? 385 PRO A CA   1 
ATOM   960  C  C    . PRO A 1 66  ? 25.16200 26.74900 -9.32000  1.000 53.98167  ? 385 PRO A C    1 
ATOM   961  O  O    . PRO A 1 66  ? 24.51800 26.49200 -10.33500 1.000 53.23113  ? 385 PRO A O    1 
ATOM   962  C  CB   . PRO A 1 66  ? 23.55700 27.09700 -7.34200  1.000 48.46098  ? 385 PRO A CB   1 
ATOM   963  C  CG   . PRO A 1 66  ? 24.19400 27.87600 -6.37500  1.000 51.83471  ? 385 PRO A CG   1 
ATOM   964  C  CD   . PRO A 1 66  ? 25.31600 27.05800 -5.82100  1.000 51.29420  ? 385 PRO A CD   1 
ATOM   965  H  HA   . PRO A 1 66  ? 24.37000 25.32000 -8.23300  1.000 55.82091  ? 385 PRO A HA   1 
ATOM   966  H  HB2  . PRO A 1 66  ? 23.13200 27.65500 -8.01200  1.000 58.63811  ? 385 PRO A HB2  1 
ATOM   967  H  HB3  . PRO A 1 66  ? 22.86000 26.55100 -6.94400  1.000 58.63811  ? 385 PRO A HB3  1 
ATOM   968  H  HG2  . PRO A 1 66  ? 24.52900 28.69900 -6.76400  1.000 62.68659  ? 385 PRO A HG2  1 
ATOM   969  H  HG3  . PRO A 1 66  ? 23.57300 28.12600 -5.67300  1.000 62.68659  ? 385 PRO A HG3  1 
ATOM   970  H  HD2  . PRO A 1 66  ? 26.07000 27.61100 -5.56100  1.000 62.03797  ? 385 PRO A HD2  1 
ATOM   971  H  HD3  . PRO A 1 66  ? 25.04400 26.56100 -5.03400  1.000 62.03797  ? 385 PRO A HD3  1 
ATOM   972  N  N    . THR A 1 67  ? 26.25500 27.52400 -9.29800  1.000 52.53193  ? 386 THR A N    1 
ATOM   973  C  CA   . THR A 1 67  ? 26.83000 28.10600 -10.50100 1.000 67.73658  ? 386 THR A CA   1 
ATOM   974  C  C    . THR A 1 67  ? 27.71300 27.10200 -11.22900 1.000 69.79750  ? 386 THR A C    1 
ATOM   975  O  O    . THR A 1 67  ? 27.91500 27.23900 -12.43100 1.000 69.60028  ? 386 THR A O    1 
ATOM   976  C  CB   . THR A 1 67  ? 27.65300 29.33300 -10.17600 1.000 70.04676  ? 386 THR A CB   1 
ATOM   977  O  OG1  . THR A 1 67  ? 28.66800 28.98500 -9.22700  1.000 73.93725  ? 386 THR A OG1  1 
ATOM   978  C  CG2  . THR A 1 67  ? 26.82800 30.42600 -9.60700  1.000 65.51420  ? 386 THR A CG2  1 
ATOM   979  H  H    . THR A 1 67  ? 26.68000 27.72300 -8.57700  1.000 63.52324  ? 386 THR A H    1 
ATOM   980  H  HA   . THR A 1 67  ? 26.08900 28.35900 -11.07400 1.000 81.76882  ? 386 THR A HA   1 
ATOM   981  H  HB   . THR A 1 67  ? 28.04400 29.64900 -11.00500 1.000 84.54104  ? 386 THR A HB   1 
ATOM   982  H  HG21 . THR A 1 67  ? 27.39300 31.19100 -9.41400  1.000 79.10197  ? 386 THR A HG21 1 
ATOM   983  H  HG22 . THR A 1 67  ? 26.14500 30.68200 -10.24600 1.000 79.10197  ? 386 THR A HG22 1 
ATOM   984  H  HG23 . THR A 1 67  ? 26.40600 30.12100 -8.78800  1.000 79.10197  ? 386 THR A HG23 1 
ATOM   985  N  N    . LYS A 1 68  ? 28.23200 26.08700 -10.54000 1.000 63.02515  ? 387 LYS A N    1 
ATOM   986  C  CA   . LYS A 1 68  ? 29.18600 25.16200 -11.14400 1.000 65.13962  ? 387 LYS A CA   1 
ATOM   987  C  C    . LYS A 1 68  ? 28.57000 23.83100 -11.55800 1.000 60.07839  ? 387 LYS A C    1 
ATOM   988  O  O    . LYS A 1 68  ? 28.95200 23.27200 -12.59000 1.000 72.33960  ? 387 LYS A O    1 
ATOM   989  C  CB   . LYS A 1 68  ? 30.34600 24.90100 -10.17700 1.000 70.28911  ? 387 LYS A CB   1 
ATOM   990  C  CG   . LYS A 1 68  ? 31.10100 26.15300 -9.76200  1.000 78.25003  ? 387 LYS A CG   1 
ATOM   991  C  CD   . LYS A 1 68  ? 32.21500 25.82700 -8.78100  1.000 90.08419  ? 387 LYS A CD   1 
ATOM   992  C  CE   . LYS A 1 68  ? 32.95800 27.08200 -8.35300  1.000 103.46050 ? 387 LYS A CE   1 
ATOM   993  N  NZ   . LYS A 1 68  ? 34.04700 26.78000 -7.38300  1.000 103.92913 ? 387 LYS A NZ   1 
ATOM   994  H  H    . LYS A 1 68  ? 28.04300 25.91700 -9.71800  1.000 76.11512  ? 387 LYS A H    1 
ATOM   995  H  HA   . LYS A 1 68  ? 29.50100 25.59200 -11.95400 1.000 78.65248  ? 387 LYS A HA   1 
ATOM   996  H  HB2  . LYS A 1 68  ? 30.00000 24.46500 -9.38200  1.000 84.83187  ? 387 LYS A HB2  1 
ATOM   997  H  HB3  . LYS A 1 68  ? 30.96800 24.28300 -10.59200 1.000 84.83187  ? 387 LYS A HB3  1 
ATOM   998  H  HG2  . LYS A 1 68  ? 31.47400 26.58300 -10.54700 1.000 94.38496  ? 387 LYS A HG2  1 
ATOM   999  H  HG3  . LYS A 1 68  ? 30.48600 26.78500 -9.35800  1.000 94.38496  ? 387 LYS A HG3  1 
ATOM   1000 H  HD2  . LYS A 1 68  ? 31.84300 25.38700 -8.00100  1.000 108.58596 ? 387 LYS A HD2  1 
ATOM   1001 H  HD3  . LYS A 1 68  ? 32.83600 25.20400 -9.18900  1.000 108.58596 ? 387 LYS A HD3  1 
ATOM   1002 H  HE2  . LYS A 1 68  ? 33.33300 27.51700 -9.13400  1.000 124.63754 ? 387 LYS A HE2  1 
ATOM   1003 H  HE3  . LYS A 1 68  ? 32.33300 27.70700 -7.95300  1.000 124.63754 ? 387 LYS A HE3  1 
ATOM   1004 H  HZ1  . LYS A 1 68  ? 34.19400 27.49200 -6.87000  1.000 125.19989 ? 387 LYS A HZ1  1 
ATOM   1005 H  HZ2  . LYS A 1 68  ? 33.80800 26.09100 -6.87300  1.000 125.19989 ? 387 LYS A HZ2  1 
ATOM   1006 H  HZ3  . LYS A 1 68  ? 34.79100 26.57600 -7.82600  1.000 125.19989 ? 387 LYS A HZ3  1 
ATOM   1007 N  N    . VAL A 1 69  ? 27.62600 23.31200 -10.77800 1.000 47.77373  ? 388 VAL A N    1 
ATOM   1008 C  CA   . VAL A 1 69  ? 27.04700 21.98900 -10.97800 1.000 38.23521  ? 388 VAL A CA   1 
ATOM   1009 C  C    . VAL A 1 69  ? 25.55600 22.14100 -11.16300 1.000 51.80129  ? 388 VAL A C    1 
ATOM   1010 O  O    . VAL A 1 69  ? 24.89400 22.78200 -10.36000 1.000 42.72269  ? 388 VAL A O    1 
ATOM   1011 C  CB   . VAL A 1 69  ? 27.31100 21.10200 -9.79100  1.000 41.08958  ? 388 VAL A CB   1 
ATOM   1012 C  CG1  . VAL A 1 69  ? 26.63500 19.77900 -9.92100  1.000 45.97670  ? 388 VAL A CG1  1 
ATOM   1013 C  CG2  . VAL A 1 69  ? 28.78400 20.95100 -9.58300  1.000 49.44249  ? 388 VAL A CG2  1 
ATOM   1014 H  H    . VAL A 1 69  ? 27.29700 23.73000 -10.10200 1.000 57.81340  ? 388 VAL A H    1 
ATOM   1015 H  HA   . VAL A 1 69  ? 27.45100 21.58100 -11.76000 1.000 46.36718  ? 388 VAL A HA   1 
ATOM   1016 H  HB   . VAL A 1 69  ? 26.93100 21.52700 -9.00600  1.000 49.79243  ? 388 VAL A HB   1 
ATOM   1017 H  HG11 . VAL A 1 69  ? 26.82900 19.23800 -9.13900  1.000 55.65697  ? 388 VAL A HG11 1 
ATOM   1018 H  HG12 . VAL A 1 69  ? 25.67700 19.91100 -9.99300  1.000 55.65697  ? 388 VAL A HG12 1 
ATOM   1019 H  HG13 . VAL A 1 69  ? 26.95900 19.32600 -10.71500 1.000 55.65697  ? 388 VAL A HG13 1 
ATOM   1020 H  HG21 . VAL A 1 69  ? 28.94600 20.37900 -8.81700  1.000 59.81592  ? 388 VAL A HG21 1 
ATOM   1021 H  HG22 . VAL A 1 69  ? 29.18400 20.55400 -10.37300 1.000 59.81592  ? 388 VAL A HG22 1 
ATOM   1022 H  HG23 . VAL A 1 69  ? 29.18000 21.82200 -9.42400  1.000 59.81592  ? 388 VAL A HG23 1 
ATOM   1023 N  N    . SER A 1 70  ? 25.04200 21.43700 -12.14400 1.000 49.17291  ? 389 SER A N    1 
ATOM   1024 C  CA   . SER A 1 70  ? 23.64500 21.46300 -12.48700 1.000 48.51519  ? 389 SER A CA   1 
ATOM   1025 C  C    . SER A 1 70  ? 22.85000 20.53700 -11.59800 1.000 42.91719  ? 389 SER A C    1 
ATOM   1026 O  O    . SER A 1 70  ? 23.35600 19.52400 -11.14200 1.000 36.36390  ? 389 SER A O    1 
ATOM   1027 C  CB   . SER A 1 70  ? 23.43400 20.99800 -13.92300 1.000 51.25084  ? 389 SER A CB   1 
ATOM   1028 O  OG   . SER A 1 70  ? 23.74900 22.13100 -14.68900 1.000 66.97242  ? 389 SER A OG   1 
ATOM   1029 H  H    . SER A 1 70  ? 25.51000 20.91600 -12.64300 1.000 59.49242  ? 389 SER A H    1 
ATOM   1030 H  HA   . SER A 1 70  ? 23.34600 22.37900 -12.37500 1.000 58.70316  ? 389 SER A HA   1 
ATOM   1031 H  HB2  . SER A 1 70  ? 24.00900 20.24800 -14.14300 1.000 61.98594  ? 389 SER A HB2  1 
ATOM   1032 H  HB3  . SER A 1 70  ? 22.52000 20.70900 -14.07300 1.000 61.98594  ? 389 SER A HB3  1 
ATOM   1033 H  HG   . SER A 1 70  ? 23.65700 21.95200 -15.50500 1.000 80.85184  ? 389 SER A HG   1 
ATOM   1034 N  N    . LYS A 1 71  ? 21.56800 20.83900 -11.53900 1.000 46.07734  ? 390 LYS A N    1 
ATOM   1035 C  CA   . LYS A 1 71  ? 20.64000 20.00400 -10.76700 1.000 55.79052  ? 390 LYS A CA   1 
ATOM   1036 C  C    . LYS A 1 71  ? 20.30400 18.75200 -11.55300 1.000 52.76960  ? 390 LYS A C    1 
ATOM   1037 O  O    . LYS A 1 71  ? 20.68200 18.64600 -12.72600 1.000 42.74885  ? 390 LYS A O    1 
ATOM   1038 C  CB   . LYS A 1 71  ? 19.32100 20.75400 -10.62900 1.000 63.07722  ? 390 LYS A CB   1 
ATOM   1039 C  CG   . LYS A 1 71  ? 18.85300 21.46900 -11.88700 1.000 71.31527  ? 390 LYS A CG   1 
ATOM   1040 C  CD   . LYS A 1 71  ? 19.17400 22.94900 -11.90400 1.000 77.92368  ? 390 LYS A CD   1 
ATOM   1041 C  CE   . LYS A 1 71  ? 19.90600 23.37500 -13.15900 1.000 85.10240  ? 390 LYS A CE   1 
ATOM   1042 N  NZ   . LYS A 1 71  ? 21.22600 23.96900 -12.85400 1.000 78.37762  ? 390 LYS A NZ   1 
ATOM   1043 H  H    . LYS A 1 71  ? 21.20800 21.51400 -11.93100 1.000 55.77775  ? 390 LYS A H    1 
ATOM   1044 H  HA   . LYS A 1 71  ? 21.04800 19.79300 -9.91200  1.000 67.43356  ? 390 LYS A HA   1 
ATOM   1045 H  HB2  . LYS A 1 71  ? 18.63400 20.12600 -10.35600 1.000 76.17760  ? 390 LYS A HB2  1 
ATOM   1046 H  HB3  . LYS A 1 71  ? 19.40800 21.40600 -9.91600  1.000 76.17760  ? 390 LYS A HB3  1 
ATOM   1047 H  HG2  . LYS A 1 71  ? 19.26300 21.04900 -12.65900 1.000 86.06325  ? 390 LYS A HG2  1 
ATOM   1048 H  HG3  . LYS A 1 71  ? 17.89400 21.35400 -11.97700 1.000 86.06325  ? 390 LYS A HG3  1 
ATOM   1049 H  HD2  . LYS A 1 71  ? 18.35000 23.45500 -11.82700 1.000 93.99335  ? 390 LYS A HD2  1 
ATOM   1050 H  HD3  . LYS A 1 71  ? 19.71500 23.16800 -11.12900 1.000 93.99335  ? 390 LYS A HD3  1 
ATOM   1051 H  HE2  . LYS A 1 71  ? 20.02400 22.60800 -13.74000 1.000 102.60781 ? 390 LYS A HE2  1 
ATOM   1052 H  HE3  . LYS A 1 71  ? 19.36700 24.01900 -13.64500 1.000 102.60781 ? 390 LYS A HE3  1 
ATOM   1053 H  HZ1  . LYS A 1 71  ? 21.74000 23.94000 -13.58000 1.000 94.53808  ? 390 LYS A HZ1  1 
ATOM   1054 H  HZ2  . LYS A 1 71  ? 21.11900 24.81500 -12.60000 1.000 94.53808  ? 390 LYS A HZ2  1 
ATOM   1055 H  HZ3  . LYS A 1 71  ? 21.61400 23.50900 -12.19800 1.000 94.53808  ? 390 LYS A HZ3  1 
ATOM   1056 N  N    . ALA A 1 72  ? 19.58100 17.85800 -10.89900 1.000 85.38269  ? 391 ALA A N    1 
ATOM   1057 C  CA   . ALA A 1 72  ? 19.12700 16.67600 -11.61800 1.000 43.55714  ? 391 ALA A CA   1 
ATOM   1058 C  C    . ALA A 1 72  ? 18.10800 17.06400 -12.68600 1.000 38.87514  ? 391 ALA A C    1 
ATOM   1059 O  O    . ALA A 1 72  ? 17.48300 18.12700 -12.63100 1.000 56.71308  ? 391 ALA A O    1 
ATOM   1060 C  CB   . ALA A 1 72  ? 18.52600 15.65100 -10.65800 1.000 61.67847  ? 391 ALA A CB   1 
ATOM   1061 H  H    . ALA A 1 72  ? 19.34800 17.90900 -10.07300 1.000 102.94416 ? 391 ALA A H    1 
ATOM   1062 H  HA   . ALA A 1 72  ? 19.89500 16.27100 -12.05100 1.000 52.75350  ? 391 ALA A HA   1 
ATOM   1063 H  HB1  . ALA A 1 72  ? 18.23100 14.87400 -11.15800 1.000 74.49910  ? 391 ALA A HB1  1 
ATOM   1064 H  HB2  . ALA A 1 72  ? 19.19600 15.38300 -10.01000 1.000 74.49910  ? 391 ALA A HB2  1 
ATOM   1065 H  HB3  . ALA A 1 72  ? 17.76900 16.04500 -10.19600 1.000 74.49910  ? 391 ALA A HB3  1 
ATOM   1066 N  N    . CYS A 1 73  ? 17.93900 16.18200 -13.66800 1.000 44.11797  ? 392 CYS A N    1 
ATOM   1067 C  CA   A CYS A 1 73  ? 17.07200 16.46000 -14.80100 0.500 42.24256  ? 392 CYS A CA   1 
ATOM   1068 C  CA   B CYS A 1 73  ? 17.09900 16.43800 -14.83200 0.500 42.64290  ? 392 CYS A CA   1 
ATOM   1069 C  C    . CYS A 1 73  ? 15.96900 15.41900 -14.90700 1.000 37.23472  ? 392 CYS A C    1 
ATOM   1070 O  O    . CYS A 1 73  ? 16.18600 14.22600 -14.67400 1.000 56.62478  ? 392 CYS A O    1 
ATOM   1071 C  CB   A CYS A 1 73  ? 17.86400 16.52800 -16.10600 0.500 50.74663  ? 392 CYS A CB   1 
ATOM   1072 C  CB   B CYS A 1 73  ? 17.93400 16.39300 -16.12000 0.500 46.42245  ? 392 CYS A CB   1 
ATOM   1073 S  SG   A CYS A 1 73  ? 18.17500 18.22700 -16.63400 0.500 69.39568  ? 392 CYS A SG   1 
ATOM   1074 S  SG   B CYS A 1 73  ? 17.04600 16.80600 -17.64100 0.500 52.30116  ? 392 CYS A SG   1 
ATOM   1075 H  H    A CYS A 1 73  ? 18.32200 15.41200 -13.69400 0.500 53.42649  ? 392 CYS A H    1 
ATOM   1076 H  H    B CYS A 1 73  ? 18.31400 15.40800 -13.67600 0.500 53.42649  ? 392 CYS A H    1 
ATOM   1077 H  HA   A CYS A 1 73  ? 16.66600 17.32800 -14.65000 0.500 51.17600  ? 392 CYS A HA   1 
ATOM   1078 H  HA   B CYS A 1 73  ? 16.71500 17.32400 -14.74100 0.500 51.65642  ? 392 CYS A HA   1 
ATOM   1079 H  HB2  A CYS A 1 73  ? 18.71000 16.06700 -15.99200 0.500 61.38088  ? 392 CYS A HB2  1 
ATOM   1080 H  HB2  B CYS A 1 73  ? 18.68100 17.00500 -16.02400 0.500 56.19188  ? 392 CYS A HB2  1 
ATOM   1081 H  HB3  A CYS A 1 73  ? 17.37700 16.06000 -16.80200 0.500 61.38088  ? 392 CYS A HB3  1 
ATOM   1082 H  HB3  B CYS A 1 73  ? 18.30700 15.50300 -16.21400 0.500 56.19188  ? 392 CYS A HB3  1 
ATOM   1083 N  N    . CYS A 1 74  ? 14.78000 15.90300 -15.24900 1.000 37.42553  ? 393 CYS A N    1 
ATOM   1084 C  CA   . CYS A 1 74  ? 13.57200 15.10300 -15.40100 1.000 45.40856  ? 393 CYS A CA   1 
ATOM   1085 C  C    . CYS A 1 74  ? 13.53400 14.53000 -16.81600 1.000 45.44116  ? 393 CYS A C    1 
ATOM   1086 O  O    . CYS A 1 74  ? 13.34700 15.27800 -17.73400 1.000 50.48939  ? 393 CYS A O    1 
ATOM   1087 C  CB   . CYS A 1 74  ? 12.35600 16.01300 -15.15700 1.000 39.17339  ? 393 CYS A CB   1 
ATOM   1088 S  SG   . CYS A 1 74  ? 10.77600 15.17000 -15.37200 1.000 44.18891  ? 393 CYS A SG   1 
ATOM   1089 H  H    . CYS A 1 74  ? 14.65100 16.73900 -15.40500 1.000 45.39557  ? 393 CYS A H    1 
ATOM   1090 H  HA   . CYS A 1 74  ? 13.55900 14.37000 -14.76600 1.000 54.97521  ? 393 CYS A HA   1 
ATOM   1091 H  HB2  . CYS A 1 74  ? 12.40400 16.37100 -14.25700 1.000 47.49300  ? 393 CYS A HB2  1 
ATOM   1092 H  HB3  . CYS A 1 74  ? 12.39800 16.76700 -15.76500 1.000 47.49300  ? 393 CYS A HB3  1 
ATOM   1093 N  N    . VAL A 1 75  ? 13.61100 13.20800 -16.95600 1.000 50.63542  ? 394 VAL A N    1 
ATOM   1094 C  CA   . VAL A 1 75  ? 13.71700 12.53600 -18.23900 1.000 35.82953  ? 394 VAL A CA   1 
ATOM   1095 C  C    . VAL A 1 75  ? 12.88400 11.26400 -18.29100 1.000 47.70286  ? 394 VAL A C    1 
ATOM   1096 O  O    . VAL A 1 75  ? 12.50900 10.72200 -17.25200 1.000 33.12344  ? 394 VAL A O    1 
ATOM   1097 C  CB   . VAL A 1 75  ? 15.20500 12.15800 -18.56400 1.000 42.40412  ? 394 VAL A CB   1 
ATOM   1098 C  CG1  . VAL A 1 75  ? 16.03800 13.40100 -18.77200 1.000 47.57726  ? 394 VAL A CG1  1 
ATOM   1099 C  CG2  . VAL A 1 75  ? 15.81600 11.24400 -17.51600 1.000 42.66696  ? 394 VAL A CG2  1 
ATOM   1100 H  H    . VAL A 1 75  ? 13.60200 12.66700 -16.28700 1.000 61.24744  ? 394 VAL A H    1 
ATOM   1101 H  HA   . VAL A 1 75  ? 13.38100 13.16500 -18.89700 1.000 43.48037  ? 394 VAL A HA   1 
ATOM   1102 H  HB   . VAL A 1 75  ? 15.19900 11.65400 -19.39300 1.000 51.36988  ? 394 VAL A HB   1 
ATOM   1103 H  HG11 . VAL A 1 75  ? 16.95300 13.14800 -18.97100 1.000 57.57765  ? 394 VAL A HG11 1 
ATOM   1104 H  HG12 . VAL A 1 75  ? 15.67600 13.91300 -19.51200 1.000 57.57765  ? 394 VAL A HG12 1 
ATOM   1105 H  HG13 . VAL A 1 75  ? 16.02100 13.94100 -17.96600 1.000 57.57765  ? 394 VAL A HG13 1 
ATOM   1106 H  HG21 . VAL A 1 75  ? 16.73200 11.03900 -17.76000 1.000 51.68528  ? 394 VAL A HG21 1 
ATOM   1107 H  HG22 . VAL A 1 75  ? 15.80300 11.68700 -16.65300 1.000 51.68528  ? 394 VAL A HG22 1 
ATOM   1108 H  HG23 . VAL A 1 75  ? 15.30400 10.42200 -17.46500 1.000 51.68528  ? 394 VAL A HG23 1 
ATOM   1109 N  N    . PRO A 1 76  ? 12.56200 10.75000 -19.50300 1.000 36.12835  ? 395 PRO A N    1 
ATOM   1110 C  CA   . PRO A 1 76  ? 11.97200 9.44800  -19.65800 1.000 28.83285  ? 395 PRO A CA   1 
ATOM   1111 C  C    . PRO A 1 76  ? 12.92000 8.35300  -19.19300 1.000 34.49810  ? 395 PRO A C    1 
ATOM   1112 O  O    . PRO A 1 76  ? 14.10600 8.43600  -19.45500 1.000 34.39857  ? 395 PRO A O    1 
ATOM   1113 C  CB   . PRO A 1 76  ? 11.64700 9.42300  -21.19200 1.000 43.19061  ? 395 PRO A CB   1 
ATOM   1114 C  CG   . PRO A 1 76  ? 11.73800 10.75600 -21.61900 1.000 39.04963  ? 395 PRO A CG   1 
ATOM   1115 C  CD   . PRO A 1 76  ? 12.72300 11.42100 -20.80800 1.000 38.19841  ? 395 PRO A CD   1 
ATOM   1116 H  HA   . PRO A 1 76  ? 11.18200 9.28600  -19.11800 1.000 32.25823  ? 395 PRO A HA   1 
ATOM   1117 H  HB2  . PRO A 1 76  ? 12.27400 8.85900  -21.67200 1.000 52.31367  ? 395 PRO A HB2  1 
ATOM   1118 H  HB3  . PRO A 1 76  ? 10.76100 9.06400  -21.35500 1.000 52.31367  ? 395 PRO A HB3  1 
ATOM   1119 H  HG2  . PRO A 1 76  ? 11.98800 10.79500 -22.55500 1.000 47.34449  ? 395 PRO A HG2  1 
ATOM   1120 H  HG3  . PRO A 1 76  ? 10.87800 11.19700 -21.53700 1.000 47.34449  ? 395 PRO A HG3  1 
ATOM   1121 H  HD2  . PRO A 1 76  ? 13.61900 11.31100 -21.16400 1.000 46.32302  ? 395 PRO A HD2  1 
ATOM   1122 H  HD3  . PRO A 1 76  ? 12.55800 12.37500 -20.74700 1.000 46.32302  ? 395 PRO A HD3  1 
ATOM   1123 N  N    . THR A 1 77  ? 12.41000 7.44700  -18.37700 1.000 38.66301  ? 396 THR A N    1 
ATOM   1124 C  CA   . THR A 1 77  ? 13.19200 6.35800  -17.83800 1.000 39.98110  ? 396 THR A CA   1 
ATOM   1125 C  C    . THR A 1 77  ? 12.69400 5.04100  -18.41600 1.000 42.19486  ? 396 THR A C    1 
ATOM   1126 O  O    . THR A 1 77  ? 13.36700 4.03400  -18.30100 1.000 46.98133  ? 396 THR A O    1 
ATOM   1127 C  CB   . THR A 1 77  ? 13.15600 6.33800  -16.26800 1.000 42.78799  ? 396 THR A CB   1 
ATOM   1128 O  OG1  . THR A 1 77  ? 11.78500 6.34100  -15.91600 1.000 35.43930  ? 396 THR A OG1  1 
ATOM   1129 C  CG2  . THR A 1 77  ? 13.84700 7.51300  -15.72000 1.000 45.04112  ? 396 THR A CG2  1 
ATOM   1130 H  H    . THR A 1 77  ? 11.59000 7.44900  -18.11900 1.000 46.88054  ? 396 THR A H    1 
ATOM   1131 H  HA   . THR A 1 77  ? 14.11800 6.48700  -18.09500 1.000 48.46225  ? 396 THR A HA   1 
ATOM   1132 H  HB   . THR A 1 77  ? 13.61000 5.56000  -15.90700 1.000 51.83052  ? 396 THR A HB   1 
ATOM   1133 H  HG1  . THR A 1 77  ? 11.32500 6.57200  -16.58000 1.000 41.41470  ? 396 THR A HG1  1 
ATOM   1134 H  HG21 . THR A 1 77  ? 13.81500 7.48500  -14.75100 1.000 54.53427  ? 396 THR A HG21 1 
ATOM   1135 H  HG22 . THR A 1 77  ? 14.77200 7.51100  -16.01300 1.000 54.53427  ? 396 THR A HG22 1 
ATOM   1136 H  HG23 . THR A 1 77  ? 13.41100 8.32100  -16.03400 1.000 54.53427  ? 396 THR A HG23 1 
ATOM   1137 N  N    . LYS A 1 78  ? 11.51400 5.03700  -19.03600 1.000 37.34874  ? 397 LYS A N    1 
ATOM   1138 C  CA   . LYS A 1 78  ? 11.07300 3.86700  -19.77700 1.000 48.98526  ? 397 LYS A CA   1 
ATOM   1139 C  C    . LYS A 1 78  ? 10.29000 4.39100  -20.96900 1.000 43.15605  ? 397 LYS A C    1 
ATOM   1140 O  O    . LYS A 1 78  ? 9.59100  5.39600  -20.82700 1.000 35.00114  ? 397 LYS A O    1 
ATOM   1141 C  CB   . LYS A 1 78  ? 10.20000 2.93300  -18.93700 1.000 50.17085  ? 397 LYS A CB   1 
ATOM   1142 C  CG   . LYS A 1 78  ? 9.82800  1.60400  -19.64300 1.000 54.40937  ? 397 LYS A CG   1 
ATOM   1143 C  CD   . LYS A 1 78  ? 8.89500  0.77500  -18.82400 1.000 66.96894  ? 397 LYS A CD   1 
ATOM   1144 C  CE   . LYS A 1 78  ? 8.59500  -0.55600 -19.44200 1.000 73.51663  ? 397 LYS A CE   1 
ATOM   1145 N  NZ   . LYS A 1 78  ? 8.04900  -1.51200 -18.42500 1.000 75.76184  ? 397 LYS A NZ   1 
ATOM   1146 H  H    . LYS A 1 78  ? 10.96200 5.69700  -19.03800 1.000 45.30342  ? 397 LYS A H    1 
ATOM   1147 H  HA   . LYS A 1 78  ? 11.84000 3.33800  -20.04600 1.000 59.26725  ? 397 LYS A HA   1 
ATOM   1148 H  HB2  . LYS A 1 78  ? 10.66500 2.72900  -18.11000 1.000 60.68995  ? 397 LYS A HB2  1 
ATOM   1149 H  HB3  . LYS A 1 78  ? 9.38400  3.39900  -18.69600 1.000 60.68995  ? 397 LYS A HB3  1 
ATOM   1150 H  HG2  . LYS A 1 78  ? 9.41800  1.79800  -20.50000 1.000 65.77618  ? 397 LYS A HG2  1 
ATOM   1151 H  HG3  . LYS A 1 78  ? 10.63600 1.09800  -19.82300 1.000 65.77618  ? 397 LYS A HG3  1 
ATOM   1152 H  HD2  . LYS A 1 78  ? 9.28000  0.63800  -17.94400 1.000 80.84766  ? 397 LYS A HD2  1 
ATOM   1153 H  HD3  . LYS A 1 78  ? 8.06500  1.26100  -18.69700 1.000 80.84766  ? 397 LYS A HD3  1 
ATOM   1154 H  HE2  . LYS A 1 78  ? 7.95500  -0.44500 -20.16200 1.000 88.70489  ? 397 LYS A HE2  1 
ATOM   1155 H  HE3  . LYS A 1 78  ? 9.40200  -0.92300 -19.83500 1.000 88.70489  ? 397 LYS A HE3  1 
ATOM   1156 H  HZ1  . LYS A 1 78  ? 8.30100  -2.34000 -18.63100 1.000 91.39914  ? 397 LYS A HZ1  1 
ATOM   1157 H  HZ2  . LYS A 1 78  ? 8.36100  -1.29900 -17.61900 1.000 91.39914  ? 397 LYS A HZ2  1 
ATOM   1158 H  HZ3  . LYS A 1 78  ? 7.16000  -1.46500 -18.42000 1.000 91.39914  ? 397 LYS A HZ3  1 
ATOM   1159 N  N    . LEU A 1 79  ? 10.42000 3.69200  -22.10500 1.000 41.58366  ? 398 LEU A N    1 
ATOM   1160 C  CA   . LEU A 1 79  ? 9.76600  4.08000  -23.34700 1.000 35.88755  ? 398 LEU A CA   1 
ATOM   1161 C  C    . LEU A 1 79  ? 8.95100  2.91000  -23.88100 1.000 41.97612  ? 398 LEU A C    1 
ATOM   1162 O  O    . LEU A 1 79  ? 9.18400  1.77500  -23.51000 1.000 53.49031  ? 398 LEU A O    1 
ATOM   1163 C  CB   . LEU A 1 79  ? 10.84100 4.51900  -24.34000 1.000 47.51292  ? 398 LEU A CB   1 
ATOM   1164 C  CG   . LEU A 1 79  ? 11.67900 5.69300  -23.92000 1.000 37.97758  ? 398 LEU A CG   1 
ATOM   1165 C  CD1  . LEU A 1 79  ? 12.86900 5.81100  -24.77300 1.000 48.28083  ? 398 LEU A CD1  1 
ATOM   1166 C  CD2  . LEU A 1 79  ? 10.90400 6.97000  -23.96400 1.000 37.17346  ? 398 LEU A CD2  1 
ATOM   1167 H  H    . LEU A 1 79  ? 10.89400 2.97700  -22.16900 1.000 50.38532  ? 398 LEU A H    1 
ATOM   1168 H  HA   . LEU A 1 79  ? 9.15500  4.81900  -23.20100 1.000 43.54999  ? 398 LEU A HA   1 
ATOM   1169 H  HB2  . LEU A 1 79  ? 11.43000 3.76600  -24.50700 1.000 57.50044  ? 398 LEU A HB2  1 
ATOM   1170 H  HB3  . LEU A 1 79  ? 10.41100 4.73500  -25.18200 1.000 57.50044  ? 398 LEU A HB3  1 
ATOM   1171 H  HG   . LEU A 1 79  ? 11.95300 5.53500  -23.00300 1.000 46.05803  ? 398 LEU A HG   1 
ATOM   1172 H  HD11 . LEU A 1 79  ? 13.39700 6.57300  -24.48800 1.000 58.42193  ? 398 LEU A HD11 1 
ATOM   1173 H  HD12 . LEU A 1 79  ? 13.40100 5.00300  -24.70000 1.000 58.42193  ? 398 LEU A HD12 1 
ATOM   1174 H  HD13 . LEU A 1 79  ? 12.59500 5.93500  -25.69500 1.000 58.42193  ? 398 LEU A HD13 1 
ATOM   1175 H  HD21 . LEU A 1 79  ? 11.47400 7.70400  -23.68800 1.000 45.09309  ? 398 LEU A HD21 1 
ATOM   1176 H  HD22 . LEU A 1 79  ? 10.59000 7.12700  -24.86800 1.000 45.09309  ? 398 LEU A HD22 1 
ATOM   1177 H  HD23 . LEU A 1 79  ? 10.14400 6.90800  -23.36500 1.000 45.09309  ? 398 LEU A HD23 1 
ATOM   1178 N  N    . SER A 1 80  ? 7.88100  3.23800  -24.59300 1.000 38.08858  ? 399 SER A N    1 
ATOM   1179 C  CA   . SER A 1 80  ? 6.98200  2.28600  -25.21300 1.000 41.65932  ? 399 SER A CA   1 
ATOM   1180 C  C    . SER A 1 80  ? 6.97400  2.42900  -26.74200 1.000 36.20538  ? 399 SER A C    1 
ATOM   1181 O  O    . SER A 1 80  ? 7.16400  3.50900  -27.29400 1.000 40.36961  ? 399 SER A O    1 
ATOM   1182 C  CB   . SER A 1 80  ? 5.54600  2.49100  -24.71900 1.000 47.26290  ? 399 SER A CB   1 
ATOM   1183 O  OG   . SER A 1 80  ? 5.40400  2.18800  -23.34500 1.000 59.97108  ? 399 SER A OG   1 
ATOM   1184 H  H    . SER A 1 80  ? 7.65200  4.05500  -24.73200 1.000 46.19123  ? 399 SER A H    1 
ATOM   1185 H  HA   . SER A 1 80  ? 7.30300  1.40400  -24.96800 1.000 50.47612  ? 399 SER A HA   1 
ATOM   1186 H  HB2  . SER A 1 80  ? 5.28100  3.41100  -24.87500 1.000 57.20042  ? 399 SER A HB2  1 
ATOM   1187 H  HB3  . SER A 1 80  ? 4.94500  1.93100  -25.23500 1.000 57.20042  ? 399 SER A HB3  1 
ATOM   1188 H  HG   . SER A 1 80  ? 4.60700  2.31300  -23.11100 1.000 72.45023  ? 399 SER A HG   1 
ATOM   1189 N  N    . PRO A 1 81  ? 6.67600  1.34100  -27.47200 1.000 43.73795  ? 400 PRO A N    1 
ATOM   1190 C  CA   . PRO A 1 81  ? 6.58000  1.44000  -28.94500 1.000 53.33950  ? 400 PRO A CA   1 
ATOM   1191 C  C    . PRO A 1 81  ? 5.22400  1.95300  -29.45300 1.000 47.81797  ? 400 PRO A C    1 
ATOM   1192 O  O    . PRO A 1 81  ? 4.25600  2.05100  -28.70700 1.000 51.89090  ? 400 PRO A O    1 
ATOM   1193 C  CB   . PRO A 1 81  ? 6.81900  -0.00300 -29.39600 1.000 43.52007  ? 400 PRO A CB   1 
ATOM   1194 C  CG   . PRO A 1 81  ? 6.27900  -0.82400 -28.27100 1.000 57.59503  ? 400 PRO A CG   1 
ATOM   1195 C  CD   . PRO A 1 81  ? 6.56900  -0.05300 -27.00500 1.000 46.66403  ? 400 PRO A CD   1 
ATOM   1196 H  HA   . PRO A 1 81  ? 7.21200  2.08500  -29.29900 1.000 64.49233  ? 400 PRO A HA   1 
ATOM   1197 H  HB2  . PRO A 1 81  ? 6.36100  -0.19600 -30.22900 1.000 52.70901  ? 400 PRO A HB2  1 
ATOM   1198 H  HB3  . PRO A 1 81  ? 7.76200  -0.17800 -29.54400 1.000 52.70901  ? 400 PRO A HB3  1 
ATOM   1199 H  HG2  . PRO A 1 81  ? 5.32600  -0.97000 -28.37600 1.000 69.59897  ? 400 PRO A HG2  1 
ATOM   1200 H  HG3  . PRO A 1 81  ? 6.69900  -1.69800 -28.24800 1.000 69.59897  ? 400 PRO A HG3  1 
ATOM   1201 H  HD2  . PRO A 1 81  ? 5.86000  -0.15800 -26.35200 1.000 56.48177  ? 400 PRO A HD2  1 
ATOM   1202 H  HD3  . PRO A 1 81  ? 7.38900  -0.35300 -26.58300 1.000 56.48177  ? 400 PRO A HD3  1 
ATOM   1203 N  N    . ILE A 1 82  ? 5.17900  2.30000  -30.74300 1.000 46.69914  ? 401 ILE A N    1 
ATOM   1204 C  CA   . ILE A 1 82  ? 3.95500  2.55700  -31.47800 1.000 45.89309  ? 401 ILE A CA   1 
ATOM   1205 C  C    . ILE A 1 82  ? 4.05300  1.83000  -32.81200 1.000 53.66014  ? 401 ILE A C    1 
ATOM   1206 O  O    . ILE A 1 82  ? 5.11100  1.34900  -33.17000 1.000 56.97313  ? 401 ILE A O    1 
ATOM   1207 C  CB   . ILE A 1 82  ? 3.70200  4.03900  -31.71600 1.000 48.81583  ? 401 ILE A CB   1 
ATOM   1208 C  CG1  . ILE A 1 82  ? 4.68800  4.64400  -32.76800 1.000 45.27583  ? 401 ILE A CG1  1 
ATOM   1209 C  CG2  . ILE A 1 82  ? 3.79500  4.78600  -30.33400 1.000 48.18132  ? 401 ILE A CG2  1 
ATOM   1210 C  CD1  . ILE A 1 82  ? 4.35000  6.02800  -33.29800 1.000 42.94400  ? 401 ILE A CD1  1 
ATOM   1211 H  H    . ILE A 1 82  ? 5.88700  2.39300  -31.22200 1.000 56.52390  ? 401 ILE A H    1 
ATOM   1212 H  HA   . ILE A 1 82  ? 3.20800  2.23600  -30.94900 1.000 55.55664  ? 401 ILE A HA   1 
ATOM   1213 H  HB   . ILE A 1 82  ? 2.81500  4.15500  -32.09100 1.000 59.06393  ? 401 ILE A HB   1 
ATOM   1214 H  HG12 . ILE A 1 82  ? 5.57200  4.67900  -32.37000 1.000 54.81592  ? 401 ILE A HG12 1 
ATOM   1215 H  HG13 . ILE A 1 82  ? 4.74000  4.03500  -33.52100 1.000 54.81592  ? 401 ILE A HG13 1 
ATOM   1216 H  HG21 . ILE A 1 82  ? 3.63600  5.73400  -30.46700 1.000 58.30251  ? 401 ILE A HG21 1 
ATOM   1217 H  HG22 . ILE A 1 82  ? 3.12800  4.42900  -29.72700 1.000 58.30251  ? 401 ILE A HG22 1 
ATOM   1218 H  HG23 . ILE A 1 82  ? 4.67800  4.65700  -29.95500 1.000 58.30251  ? 401 ILE A HG23 1 
ATOM   1219 H  HD11 . ILE A 1 82  ? 5.02400  6.30300  -33.93900 1.000 52.01774  ? 401 ILE A HD11 1 
ATOM   1220 H  HD12 . ILE A 1 82  ? 3.48200  6.00600  -33.73100 1.000 52.01774  ? 401 ILE A HD12 1 
ATOM   1221 H  HD13 . ILE A 1 82  ? 4.32800  6.66000  -32.56200 1.000 52.01774  ? 401 ILE A HD13 1 
ATOM   1222 N  N    . SER A 1 83  ? 2.91300  1.68600  -33.47800 1.000 52.25234  ? 402 SER A N    1 
ATOM   1223 C  CA   . SER A 1 83  ? 2.87100  1.11700  -34.81200 1.000 54.98128  ? 402 SER A CA   1 
ATOM   1224 C  C    . SER A 1 83  ? 2.92500  2.26300  -35.81100 1.000 48.55447  ? 402 SER A C    1 
ATOM   1225 O  O    . SER A 1 83  ? 2.23600  3.27600  -35.64500 1.000 51.95961  ? 402 SER A O    1 
ATOM   1226 C  CB   . SER A 1 83  ? 1.62600  0.28300  -34.99800 1.000 57.44422  ? 402 SER A CB   1 
ATOM   1227 O  OG   . SER A 1 83  ? 1.76500  -0.87200 -34.19400 1.000 59.40738  ? 402 SER A OG   1 
ATOM   1228 H  H    . SER A 1 83  ? 2.14500  1.91600  -33.16700 1.000 63.18775  ? 402 SER A H    1 
ATOM   1229 H  HA   . SER A 1 83  ? 3.62800  0.52600  -34.95100 1.000 66.46247  ? 402 SER A HA   1 
ATOM   1230 H  HB2  . SER A 1 83  ? 0.83700  0.78500  -34.74000 1.000 69.41800  ? 402 SER A HB2  1 
ATOM   1231 H  HB3  . SER A 1 83  ? 1.51500  0.03900  -35.93000 1.000 69.41800  ? 402 SER A HB3  1 
ATOM   1232 H  HG   . SER A 1 83  ? 2.49400  -1.25000 -34.37000 1.000 71.77379  ? 402 SER A HG   1 
ATOM   1233 N  N    . VAL A 1 84  ? 3.78800  2.10900  -36.81600 1.000 60.71201  ? 403 VAL A N    1 
ATOM   1234 C  CA   . VAL A 1 84  ? 3.80100  3.03200  -37.95100 1.000 55.68435  ? 403 VAL A CA   1 
ATOM   1235 C  C    . VAL A 1 84  ? 3.66900  2.31400  -39.29800 1.000 57.18930  ? 403 VAL A C    1 
ATOM   1236 O  O    . VAL A 1 84  ? 4.06700  1.15200  -39.44700 1.000 58.04898  ? 403 VAL A O    1 
ATOM   1237 C  CB   . VAL A 1 84  ? 5.02300  3.93200  -37.94200 1.000 51.03450  ? 403 VAL A CB   1 
ATOM   1238 C  CG1  . VAL A 1 84  ? 5.06300  4.82000  -36.64700 1.000 55.76516  ? 403 VAL A CG1  1 
ATOM   1239 C  CG2  . VAL A 1 84  ? 6.30400  3.10700  -38.10500 1.000 57.05254  ? 403 VAL A CG2  1 
ATOM   1240 H  H    . VAL A 1 84  ? 4.37200  1.47900  -36.86000 1.000 73.33934  ? 403 VAL A H    1 
ATOM   1241 H  HA   . VAL A 1 84  ? 3.01600  3.59200  -37.84300 1.000 67.30615  ? 403 VAL A HA   1 
ATOM   1242 H  HB   . VAL A 1 84  ? 4.96300  4.53400  -38.70000 1.000 61.72634  ? 403 VAL A HB   1 
ATOM   1243 H  HG11 . VAL A 1 84  ? 5.85200  5.38500  -36.66600 1.000 67.40312  ? 403 VAL A HG11 1 
ATOM   1244 H  HG12 . VAL A 1 84  ? 4.26900  5.37600  -36.61100 1.000 67.40312  ? 403 VAL A HG12 1 
ATOM   1245 H  HG13 . VAL A 1 84  ? 5.09300  4.24900  -35.86400 1.000 67.40312  ? 403 VAL A HG13 1 
ATOM   1246 H  HG21 . VAL A 1 84  ? 7.07300  3.69800  -38.09700 1.000 68.94798  ? 403 VAL A HG21 1 
ATOM   1247 H  HG22 . VAL A 1 84  ? 6.37600  2.47300  -37.37400 1.000 68.94798  ? 403 VAL A HG22 1 
ATOM   1248 H  HG23 . VAL A 1 84  ? 6.27500  2.62700  -38.94700 1.000 68.94798  ? 403 VAL A HG23 1 
ATOM   1249 N  N    . LEU A 1 85  ? 3.03600  3.02800  -40.23400 1.000 53.48998  ? 404 LEU A N    1 
ATOM   1250 C  CA   . LEU A 1 85  ? 2.96600  2.63200  -41.63400 1.000 55.49391  ? 404 LEU A CA   1 
ATOM   1251 C  C    . LEU A 1 85  ? 4.05500  3.45800  -42.32800 1.000 68.39673  ? 404 LEU A C    1 
ATOM   1252 O  O    . LEU A 1 85  ? 3.98000  4.69400  -42.33500 1.000 64.23464  ? 404 LEU A O    1 
ATOM   1253 C  CB   . LEU A 1 85  ? 1.57000  2.89500  -42.22900 1.000 51.05516  ? 404 LEU A CB   1 
ATOM   1254 C  CG   . LEU A 1 85  ? 1.28700  2.26100  -43.56400 1.000 54.54598  ? 404 LEU A CG   1 
ATOM   1255 C  CD1  . LEU A 1 85  ? 1.55100  0.78100  -43.49000 1.000 64.34305  ? 404 LEU A CD1  1 
ATOM   1256 C  CD2  . LEU A 1 85  ? -0.16100 2.63400  -44.07800 1.000 55.88069  ? 404 LEU A CD2  1 
ATOM   1257 H  H    . LEU A 1 85  ? 2.63000  3.76700  -40.06500 1.000 64.67291  ? 404 LEU A H    1 
ATOM   1258 H  HA   . LEU A 1 85  ? 3.11000  1.68000  -41.75200 1.000 67.07763  ? 404 LEU A HA   1 
ATOM   1259 H  HB2  . LEU A 1 85  ? 0.90500  2.58300  -41.59600 1.000 60.09167  ? 404 LEU A HB2  1 
ATOM   1260 H  HB3  . LEU A 1 85  ? 1.45100  3.85400  -42.31500 1.000 60.09167  ? 404 LEU A HB3  1 
ATOM   1261 H  HG   . LEU A 1 85  ? 1.89200  2.61800  -44.23300 1.000 65.71718  ? 404 LEU A HG   1 
ATOM   1262 H  HD11 . LEU A 1 85  ? 1.36800  0.37600  -44.35200 1.000 77.69659  ? 404 LEU A HD11 1 
ATOM   1263 H  HD12 . LEU A 1 85  ? 2.47900  0.62900  -43.25300 1.000 77.69659  ? 404 LEU A HD12 1 
ATOM   1264 H  HD13 . LEU A 1 85  ? 0.97700  0.38300  -42.81700 1.000 77.69659  ? 404 LEU A HD13 1 
ATOM   1265 H  HD21 . LEU A 1 85  ? -0.31800 2.21400  -44.93800 1.000 64.63217  ? 404 LEU A HD21 1 
ATOM   1266 H  HD22 . LEU A 1 85  ? -0.82200 2.32100  -43.44000 1.000 64.63217  ? 404 LEU A HD22 1 
ATOM   1267 H  HD23 . LEU A 1 85  ? -0.23300 3.59700  -44.17100 1.000 64.63217  ? 404 LEU A HD23 1 
ATOM   1268 N  N    . TYR A 1 86  ? 5.09200  2.76900  -42.81900 1.000 73.41582  ? 405 TYR A N    1 
ATOM   1269 C  CA   . TYR A 1 86  ? 6.31100  3.37800  -43.33500 1.000 74.75918  ? 405 TYR A CA   1 
ATOM   1270 C  C    . TYR A 1 86  ? 6.58300  2.86400  -44.74400 1.000 77.55394  ? 405 TYR A C    1 
ATOM   1271 O  O    . TYR A 1 86  ? 6.07100  1.82100  -45.15700 1.000 82.51490  ? 405 TYR A O    1 
ATOM   1272 C  CB   . TYR A 1 86  ? 7.53200  3.09100  -42.41700 1.000 81.42247  ? 405 TYR A CB   1 
ATOM   1273 C  CG   . TYR A 1 86  ? 8.19600  1.72600  -42.60000 1.000 83.03429  ? 405 TYR A CG   1 
ATOM   1274 C  CD1  . TYR A 1 86  ? 7.72300  0.60700  -41.93900 1.000 70.60479  ? 405 TYR A CD1  1 
ATOM   1275 C  CD2  . TYR A 1 86  ? 9.28000  1.56900  -43.45100 1.000 82.06754  ? 405 TYR A CD2  1 
ATOM   1276 C  CE1  . TYR A 1 86  ? 8.32100  -0.63300 -42.10000 1.000 80.03752  ? 405 TYR A CE1  1 
ATOM   1277 C  CE2  . TYR A 1 86  ? 9.88000  0.33000  -43.62900 1.000 89.25335  ? 405 TYR A CE2  1 
ATOM   1278 C  CZ   . TYR A 1 86  ? 9.39900  -0.76900 -42.94100 1.000 93.39002  ? 405 TYR A CZ   1 
ATOM   1279 O  OH   . TYR A 1 86  ? 9.95100  -2.00800 -43.09600 1.000 103.75076 ? 405 TYR A OH   1 
ATOM   1280 H  H    . TYR A 1 86  ? 5.10000  1.91000  -42.86000 1.000 88.58392  ? 405 TYR A H    1 
ATOM   1281 H  HA   . TYR A 1 86  ? 6.18100  4.33900  -43.35600 1.000 90.19595  ? 405 TYR A HA   1 
ATOM   1282 H  HB2  . TYR A 1 86  ? 8.19900  3.77900  -42.56900 1.000 98.19189  ? 405 TYR A HB2  1 
ATOM   1283 H  HB3  . TYR A 1 86  ? 7.24700  3.17200  -41.49300 1.000 98.19189  ? 405 TYR A HB3  1 
ATOM   1284 H  HD1  . TYR A 1 86  ? 6.98800  0.68800  -41.37500 1.000 85.21068  ? 405 TYR A HD1  1 
ATOM   1285 H  HD2  . TYR A 1 86  ? 9.61100  2.30700  -43.91000 1.000 98.96598  ? 405 TYR A HD2  1 
ATOM   1286 H  HE1  . TYR A 1 86  ? 7.99300  -1.37200 -41.64000 1.000 96.52996  ? 405 TYR A HE1  1 
ATOM   1287 H  HE2  . TYR A 1 86  ? 10.60200 0.23900  -44.20800 1.000 107.58895 ? 405 TYR A HE2  1 
ATOM   1288 H  HH   . TYR A 1 86  ? 9.34100  -2.58400 -43.13100 1.000 124.98584 ? 405 TYR A HH   1 
ATOM   1289 N  N    . LYS A 1 87  ? 7.39900  3.61500  -45.48200 1.000 118.65312 ? 406 LYS A N    1 
ATOM   1290 C  CA   . LYS A 1 87  ? 7.81200  3.22400  -46.82400 1.000 113.70295 ? 406 LYS A CA   1 
ATOM   1291 C  C    . LYS A 1 87  ? 9.15900  2.51400  -46.80600 1.000 120.10870 ? 406 LYS A C    1 
ATOM   1292 O  O    . LYS A 1 87  ? 10.13400 3.03700  -46.25800 1.000 118.14692 ? 406 LYS A O    1 
ATOM   1293 C  CB   . LYS A 1 87  ? 7.94500  4.44600  -47.73600 1.000 104.70650 ? 406 LYS A CB   1 
ATOM   1294 C  CG   . LYS A 1 87  ? 6.69100  5.29800  -47.85100 1.000 106.47124 ? 406 LYS A CG   1 
ATOM   1295 C  CD   . LYS A 1 87  ? 6.74100  6.17900  -49.09000 1.000 121.33085 ? 406 LYS A CD   1 
ATOM   1296 C  CE   . LYS A 1 87  ? 7.94600  7.10500  -49.06700 1.000 124.89077 ? 406 LYS A CE   1 
ATOM   1297 N  NZ   . LYS A 1 87  ? 8.00800  7.96700  -50.27900 1.000 123.53956 ? 406 LYS A NZ   1 
ATOM   1298 H  H    . LYS A 1 87  ? 7.72700  4.36400  -45.21700 1.000 142.86867 ? 406 LYS A H    1 
ATOM   1299 H  HA   . LYS A 1 87  ? 7.12600  2.62600  -47.16000 1.000 136.92847 ? 406 LYS A HA   1 
ATOM   1300 H  HB2  . LYS A 1 87  ? 8.66900  5.00200  -47.40700 1.000 126.13273 ? 406 LYS A HB2  1 
ATOM   1301 H  HB3  . LYS A 1 87  ? 8.19900  4.14600  -48.62300 1.000 126.13273 ? 406 LYS A HB3  1 
ATOM   1302 H  HG2  . LYS A 1 87  ? 5.90900  4.72500  -47.88900 1.000 128.25042 ? 406 LYS A HG2  1 
ATOM   1303 H  HG3  . LYS A 1 87  ? 6.59900  5.85200  -47.06000 1.000 128.25042 ? 406 LYS A HG3  1 
ATOM   1304 H  HD2  . LYS A 1 87  ? 6.77500  5.62200  -49.88300 1.000 146.08195 ? 406 LYS A HD2  1 
ATOM   1305 H  HD3  . LYS A 1 87  ? 5.92800  6.70500  -49.14700 1.000 146.08195 ? 406 LYS A HD3  1 
ATOM   1306 H  HE2  . LYS A 1 87  ? 7.90900  7.66400  -48.27500 1.000 150.35385 ? 406 LYS A HE2  1 
ATOM   1307 H  HE3  . LYS A 1 87  ? 8.75800  6.57700  -49.00400 1.000 150.35385 ? 406 LYS A HE3  1 
ATOM   1308 H  HZ1  . LYS A 1 87  ? 8.41400  8.73300  -50.07800 1.000 148.73241 ? 406 LYS A HZ1  1 
ATOM   1309 H  HZ2  . LYS A 1 87  ? 8.46500  7.54900  -50.91800 1.000 148.73241 ? 406 LYS A HZ2  1 
ATOM   1310 H  HZ3  . LYS A 1 87  ? 7.18300  8.13500  -50.56600 1.000 148.73241 ? 406 LYS A HZ3  1 
ATOM   1311 N  N    . ASP A 1 88  ? 9.21700  1.33000  -47.41500 1.000 98.34710  ? 407 ASP A N    1 
ATOM   1312 C  CA   . ASP A 1 88  ? 10.42300 0.51500  -47.37700 1.000 104.63270 ? 407 ASP A CA   1 
ATOM   1313 C  C    . ASP A 1 88  ? 11.29600 0.90800  -48.57300 1.000 116.80395 ? 407 ASP A C    1 
ATOM   1314 O  O    . ASP A 1 88  ? 10.98600 1.86000  -49.29300 1.000 121.12426 ? 407 ASP A O    1 
ATOM   1315 C  CB   . ASP A 1 88  ? 10.05400 -0.97100 -47.49400 1.000 104.67867 ? 407 ASP A CB   1 
ATOM   1316 C  CG   . ASP A 1 88  ? 9.39000  -1.33000 -48.81600 1.000 110.10860 ? 407 ASP A CG   1 
ATOM   1317 O  OD1  . ASP A 1 88  ? 9.19600  -0.45000 -49.67400 1.000 124.73805 ? 407 ASP A OD1  1 
ATOM   1318 O  OD2  . ASP A 1 88  ? 9.05000  -2.52100 -48.95700 1.000 114.40498 ? 407 ASP A OD2  1 
ATOM   1319 H  H    . ASP A 1 88  ? 8.56500  0.98300  -47.85600 1.000 118.50145 ? 407 ASP A H    1 
ATOM   1320 H  HA   . ASP A 1 88  ? 10.89500 0.65800  -46.54200 1.000 126.04417 ? 407 ASP A HA   1 
ATOM   1321 H  HB2  . ASP A 1 88  ? 10.85700 -1.50600 -47.38800 1.000 126.09933 ? 407 ASP A HB2  1 
ATOM   1322 H  HB3  . ASP A 1 88  ? 9.45800  -1.20700 -46.76600 1.000 126.09933 ? 407 ASP A HB3  1 
ATOM   1323 N  N    . ASP A 1 89  ? 12.40500 0.19200  -48.78800 1.000 137.41734 ? 408 ASP A N    1 
ATOM   1324 C  CA   . ASP A 1 89  ? 13.44400 0.64200  -49.71200 1.000 139.30553 ? 408 ASP A CA   1 
ATOM   1325 C  C    . ASP A 1 89  ? 12.87400 0.94400  -51.09200 1.000 129.65555 ? 408 ASP A C    1 
ATOM   1326 O  O    . ASP A 1 89  ? 13.32600 1.87600  -51.76800 1.000 128.74900 ? 408 ASP A O    1 
ATOM   1327 C  CB   . ASP A 1 89  ? 14.55300 -0.40700 -49.81200 1.000 143.39844 ? 408 ASP A CB   1 
ATOM   1328 C  CG   . ASP A 1 89  ? 15.21000 -0.70000 -48.47500 1.000 140.77489 ? 408 ASP A CG   1 
ATOM   1329 O  OD1  . ASP A 1 89  ? 15.28700 0.20700  -47.62100 1.000 129.23609 ? 408 ASP A OD1  1 
ATOM   1330 O  OD2  . ASP A 1 89  ? 15.64700 -1.85500 -48.28500 1.000 143.54539 ? 408 ASP A OD2  1 
ATOM   1331 H  H    . ASP A 1 89  ? 12.57200 -0.56000 -48.40500 1.000 165.38574 ? 408 ASP A H    1 
ATOM   1332 H  HA   . ASP A 1 89  ? 13.81700 1.46600  -49.36100 1.000 167.65157 ? 408 ASP A HA   1 
ATOM   1333 H  HB2  . ASP A 1 89  ? 14.18400 -1.22800 -50.17300 1.000 172.56306 ? 408 ASP A HB2  1 
ATOM   1334 H  HB3  . ASP A 1 89  ? 15.22700 -0.10000 -50.43800 1.000 172.56306 ? 408 ASP A HB3  1 
ATOM   1335 N  N    . MET A 1 90  ? 11.88000 0.16900  -51.53000 1.000 123.44790 ? 409 MET A N    1 
ATOM   1336 C  CA   . MET A 1 90  ? 11.27400 0.41200  -52.83400 1.000 126.53657 ? 409 MET A CA   1 
ATOM   1337 C  C    . MET A 1 90  ? 10.18300 1.47400  -52.77000 1.000 125.27273 ? 409 MET A C    1 
ATOM   1338 O  O    . MET A 1 90  ? 9.94100  2.16800  -53.76400 1.000 138.55222 ? 409 MET A O    1 
ATOM   1339 C  CB   . MET A 1 90  ? 10.71100 -0.89100 -53.40400 1.000 134.01745 ? 409 MET A CB   1 
ATOM   1340 C  CG   . MET A 1 90  ? 11.75800 -1.97400 -53.64700 1.000 146.37310 ? 409 MET A CG   1 
ATOM   1341 S  SD   . MET A 1 90  ? 11.05300 -3.48000 -54.34700 1.000 159.85914 ? 409 MET A SD   1 
ATOM   1342 C  CE   . MET A 1 90  ? 12.51800 -4.49500 -54.53500 1.000 153.81587 ? 409 MET A CE   1 
ATOM   1343 H  H    . MET A 1 90  ? 11.54800 -0.49300 -51.09300 1.000 148.62241 ? 409 MET A H    1 
ATOM   1344 H  HA   . MET A 1 90  ? 11.97000 0.74700  -53.42100 1.000 152.32882 ? 409 MET A HA   1 
ATOM   1345 H  HB2  . MET A 1 90  ? 10.04000 -1.23500 -52.79400 1.000 161.30587 ? 409 MET A HB2  1 
ATOM   1346 H  HB3  . MET A 1 90  ? 10.26100 -0.69800 -54.24100 1.000 161.30587 ? 409 MET A HB3  1 
ATOM   1347 H  HG2  . MET A 1 90  ? 12.43900 -1.63100 -54.24700 1.000 176.13265 ? 409 MET A HG2  1 
ATOM   1348 H  HG3  . MET A 1 90  ? 12.19800 -2.18700 -52.80900 1.000 176.13265 ? 409 MET A HG3  1 
ATOM   1349 H  HE1  . MET A 1 90  ? 12.27100 -5.35400 -54.91200 1.000 185.06397 ? 409 MET A HE1  1 
ATOM   1350 H  HE2  . MET A 1 90  ? 13.14500 -4.05100 -55.12700 1.000 185.06397 ? 409 MET A HE2  1 
ATOM   1351 H  HE3  . MET A 1 90  ? 12.93200 -4.63000 -53.66800 1.000 185.06397 ? 409 MET A HE3  1 
ATOM   1352 N  N    . GLY A 1 91  ? 9.52200  1.61700  -51.62300 1.000 125.18081 ? 410 GLY A N    1 
ATOM   1353 C  CA   . GLY A 1 91  ? 8.46600  2.63000  -51.43200 1.000 124.89297 ? 410 GLY A CA   1 
ATOM   1354 C  C    . GLY A 1 91  ? 7.17400  1.97000  -50.98500 1.000 125.45707 ? 410 GLY A C    1 
ATOM   1355 O  O    . GLY A 1 91  ? 6.21200  2.70200  -50.68100 1.000 129.10828 ? 410 GLY A O    1 
ATOM   1356 H  H    . GLY A 1 91  ? 9.66900  1.13200  -50.92800 1.000 150.70190 ? 410 GLY A H    1 
ATOM   1357 H  HA2  . GLY A 1 91  ? 8.74900  3.28000  -50.77100 1.000 150.35650 ? 410 GLY A HA2  1 
ATOM   1358 H  HA3  . GLY A 1 91  ? 8.32000  3.11300  -52.26000 1.000 150.35650 ? 410 GLY A HA3  1 
ATOM   1359 N  N    . VAL A 1 92  ? 7.15700  0.63500  -50.93000 1.000 123.82337 ? 411 VAL A N    1 
ATOM   1360 C  CA   . VAL A 1 92  ? 5.91700  -0.11300 -50.56500 1.000 122.64618 ? 411 VAL A CA   1 
ATOM   1361 C  C    . VAL A 1 92  ? 5.49600  0.25000  -49.14300 1.000 109.04261 ? 411 VAL A C    1 
ATOM   1362 O  O    . VAL A 1 92  ? 6.36400  0.24300  -48.24500 1.000 94.57253  ? 411 VAL A O    1 
ATOM   1363 C  CB   . VAL A 1 92  ? 6.12000  -1.63300 -50.69300 1.000 103.53849 ? 411 VAL A CB   1 
ATOM   1364 C  CG1  . VAL A 1 92  ? 4.89700  -2.42600 -50.24600 1.000 105.35829 ? 411 VAL A CG1  1 
ATOM   1365 C  CG2  . VAL A 1 92  ? 6.50400  -1.99300 -52.11100 1.000 105.89423 ? 411 VAL A CG2  1 
ATOM   1366 H  H    . VAL A 1 92  ? 7.83800  0.13700  -51.09600 1.000 149.07297 ? 411 VAL A H    1 
ATOM   1367 H  HA   . VAL A 1 92  ? 5.21400  0.14200  -51.18300 1.000 147.66035 ? 411 VAL A HA   1 
ATOM   1368 H  HB   . VAL A 1 92  ? 6.84400  -1.87700 -50.09600 1.000 124.73112 ? 411 VAL A HB   1 
ATOM   1369 H  HG11 . VAL A 1 92  ? 5.07300  -3.37500 -50.34500 1.000 126.91489 ? 411 VAL A HG11 1 
ATOM   1370 H  HG12 . VAL A 1 92  ? 4.70500  -2.22800 -49.31600 1.000 126.91489 ? 411 VAL A HG12 1 
ATOM   1371 H  HG13 . VAL A 1 92  ? 4.13400  -2.18000 -50.79200 1.000 126.91489 ? 411 VAL A HG13 1 
ATOM   1372 H  HG21 . VAL A 1 92  ? 6.62900  -2.95300 -52.17900 1.000 127.55800 ? 411 VAL A HG21 1 
ATOM   1373 H  HG22 . VAL A 1 92  ? 5.80000  -1.71500 -52.71800 1.000 127.55800 ? 411 VAL A HG22 1 
ATOM   1374 H  HG23 . VAL A 1 92  ? 7.33000  -1.54200 -52.34700 1.000 127.55800 ? 411 VAL A HG23 1 
ATOM   1375 N  N    . PRO A 1 93  ? 4.20600  0.55700  -48.89700 1.000 98.90950  ? 412 PRO A N    1 
ATOM   1376 C  CA   . PRO A 1 93  ? 3.72200  0.81600  -47.53800 1.000 99.10950  ? 412 PRO A CA   1 
ATOM   1377 C  C    . PRO A 1 93  ? 3.78200  -0.41600 -46.64000 1.000 91.31164  ? 412 PRO A C    1 
ATOM   1378 O  O    . PRO A 1 93  ? 3.11200  -1.40800 -46.92900 1.000 94.67458  ? 412 PRO A O    1 
ATOM   1379 C  CB   . PRO A 1 93  ? 2.23700  1.20700  -47.75000 1.000 98.16027  ? 412 PRO A CB   1 
ATOM   1380 C  CG   . PRO A 1 93  ? 2.12800  1.57600  -49.16100 1.000 106.19716 ? 412 PRO A CG   1 
ATOM   1381 C  CD   . PRO A 1 93  ? 3.12500  0.70200  -49.87500 1.000 113.94008 ? 412 PRO A CD   1 
ATOM   1382 H  HA   . PRO A 1 93  ? 4.26400  1.49100  -47.10000 1.000 119.41633 ? 412 PRO A HA   1 
ATOM   1383 H  HB2  . PRO A 1 93  ? 1.64700  0.46700  -47.53600 1.000 118.27726 ? 412 PRO A HB2  1 
ATOM   1384 H  HB3  . PRO A 1 93  ? 1.98500  1.94700  -47.17500 1.000 118.27726 ? 412 PRO A HB3  1 
ATOM   1385 H  HG2  . PRO A 1 93  ? 1.22900  1.42700  -49.49400 1.000 127.92152 ? 412 PRO A HG2  1 
ATOM   1386 H  HG3  . PRO A 1 93  ? 2.32700  2.51600  -49.29400 1.000 127.92152 ? 412 PRO A HG3  1 
ATOM   1387 H  HD2  . PRO A 1 93  ? 2.74200  -0.15600 -50.11500 1.000 137.21303 ? 412 PRO A HD2  1 
ATOM   1388 H  HD3  . PRO A 1 93  ? 3.43800  1.11300  -50.69600 1.000 137.21303 ? 412 PRO A HD3  1 
ATOM   1389 N  N    . THR A 1 94  ? 4.54500  -0.31500 -45.54100 1.000 71.13496  ? 413 THR A N    1 
ATOM   1390 C  CA   . THR A 1 94  ? 4.81100  -1.45900 -44.68400 1.000 67.79517  ? 413 THR A CA   1 
ATOM   1391 C  C    . THR A 1 94  ? 4.57100  -1.11800 -43.20900 1.000 60.86843  ? 413 THR A C    1 
ATOM   1392 O  O    . THR A 1 94  ? 4.96500  -0.06400 -42.73400 1.000 65.97514  ? 413 THR A O    1 
ATOM   1393 C  CB   . THR A 1 94  ? 6.25300  -1.95800 -44.94200 1.000 80.65725  ? 413 THR A CB   1 
ATOM   1394 O  OG1  . THR A 1 94  ? 6.42100  -2.17400 -46.34500 1.000 93.63784  ? 413 THR A OG1  1 
ATOM   1395 C  CG2  . THR A 1 94  ? 6.59400  -3.25200 -44.17100 1.000 84.39854  ? 413 THR A CG2  1 
ATOM   1396 H  H    . THR A 1 94  ? 4.91600  0.41600  -45.28100 1.000 85.84689  ? 413 THR A H    1 
ATOM   1397 H  HA   . THR A 1 94  ? 4.19300  -2.17500 -44.89900 1.000 81.83914  ? 413 THR A HA   1 
ATOM   1398 H  HB   . THR A 1 94  ? 6.86100  -1.27500 -44.61900 1.000 97.27364  ? 413 THR A HB   1 
ATOM   1399 H  HG1  . THR A 1 94  ? 6.41200  -1.43600 -46.74500 1.000 112.85034 ? 413 THR A HG1  1 
ATOM   1400 H  HG21 . THR A 1 94  ? 7.50600  -3.51700 -44.37000 1.000 101.76318 ? 413 THR A HG21 1 
ATOM   1401 H  HG22 . THR A 1 94  ? 6.50400  -3.09400 -43.21800 1.000 101.76318 ? 413 THR A HG22 1 
ATOM   1402 H  HG23 . THR A 1 94  ? 5.98700  -3.95900 -44.44000 1.000 101.76318 ? 413 THR A HG23 1 
ATOM   1403 N  N    . LEU A 1 95  ? 3.90200  -2.03100 -42.50000 1.000 69.13875  ? 414 LEU A N    1 
ATOM   1404 C  CA   . LEU A 1 95  ? 3.62000  -1.88200 -41.08800 1.000 57.06569  ? 414 LEU A CA   1 
ATOM   1405 C  C    . LEU A 1 95  ? 4.83000  -2.24800 -40.24600 1.000 61.77783  ? 414 LEU A C    1 
ATOM   1406 O  O    . LEU A 1 95  ? 5.39500  -3.32200 -40.41500 1.000 68.50998  ? 414 LEU A O    1 
ATOM   1407 C  CB   . LEU A 1 95  ? 2.48200  -2.78000 -40.66400 1.000 58.80706  ? 414 LEU A CB   1 
ATOM   1408 C  CG   . LEU A 1 95  ? 2.18300  -2.60400 -39.16800 1.000 65.47499  ? 414 LEU A CG   1 
ATOM   1409 C  CD1  . LEU A 1 95  ? 1.41300  -1.27800 -38.94700 1.000 54.74608  ? 414 LEU A CD1  1 
ATOM   1410 C  CD2  . LEU A 1 95  ? 1.50300  -3.83000 -38.60200 1.000 59.39181  ? 414 LEU A CD2  1 
ATOM   1411 H  H    . LEU A 1 95  ? 3.59900  -2.76100 -42.83900 1.000 83.45144  ? 414 LEU A H    1 
ATOM   1412 H  HA   . LEU A 1 95  ? 3.38400  -0.95100 -40.94900 1.000 66.40505  ? 414 LEU A HA   1 
ATOM   1413 H  HB2  . LEU A 1 95  ? 1.69000  -2.57300 -41.18400 1.000 70.62019  ? 414 LEU A HB2  1 
ATOM   1414 H  HB3  . LEU A 1 95  ? 2.70800  -3.70500 -40.84700 1.000 70.62019  ? 414 LEU A HB3  1 
ATOM   1415 H  HG   . LEU A 1 95  ? 3.00900  -2.52800 -38.66600 1.000 79.05492  ? 414 LEU A HG   1 
ATOM   1416 H  HD11 . LEU A 1 95  ? 1.22400  -1.16700 -38.00200 1.000 66.18023  ? 414 LEU A HD11 1 
ATOM   1417 H  HD12 . LEU A 1 95  ? 1.95300  -0.53400 -39.25800 1.000 66.18023  ? 414 LEU A HD12 1 
ATOM   1418 H  HD13 . LEU A 1 95  ? 0.57900  -1.30100 -39.44200 1.000 66.18023  ? 414 LEU A HD13 1 
ATOM   1419 H  HD21 . LEU A 1 95  ? 1.32500  -3.69500 -37.65800 1.000 70.34320  ? 414 LEU A HD21 1 
ATOM   1420 H  HD22 . LEU A 1 95  ? 0.66700  -3.98200 -39.07000 1.000 70.34320  ? 414 LEU A HD22 1 
ATOM   1421 H  HD23 . LEU A 1 95  ? 2.08000  -4.60100 -38.71400 1.000 70.34320  ? 414 LEU A HD23 1 
ATOM   1422 N  N    . LYS A 1 96  ? 5.21900  -1.36000 -39.36600 1.000 58.09152  ? 415 LYS A N    1 
ATOM   1423 C  CA   . LYS A 1 96  ? 6.22900  -1.66000 -38.37100 1.000 61.38668  ? 415 LYS A CA   1 
ATOM   1424 C  C    . LYS A 1 96  ? 5.48300  -1.77500 -37.04800 1.000 52.43878  ? 415 LYS A C    1 
ATOM   1425 O  O    . LYS A 1 96  ? 5.17700  -0.76300 -36.41000 1.000 64.71841  ? 415 LYS A O    1 
ATOM   1426 C  CB   . LYS A 1 96  ? 7.29400  -0.58100 -38.35800 1.000 51.52310  ? 415 LYS A CB   1 
ATOM   1427 C  CG   . LYS A 1 96  ? 8.25100  -0.75100 -37.25300 1.000 61.91586  ? 415 LYS A CG   1 
ATOM   1428 C  CD   . LYS A 1 96  ? 8.91400  -2.07800 -37.26900 1.000 63.24107  ? 415 LYS A CD   1 
ATOM   1429 C  CE   . LYS A 1 96  ? 9.86000  -2.08100 -36.14000 1.000 59.91574  ? 415 LYS A CE   1 
ATOM   1430 N  NZ   . LYS A 1 96  ? 10.57800 -3.32400 -36.13700 1.000 72.87061  ? 415 LYS A NZ   1 
ATOM   1431 H  H    . LYS A 1 96  ? 4.90700  -0.56000 -39.32300 1.000 70.19476  ? 415 LYS A H    1 
ATOM   1432 H  HA   . LYS A 1 96  ? 6.70300  -2.48500 -38.55800 1.000 74.14895  ? 415 LYS A HA   1 
ATOM   1433 H  HB2  . LYS A 1 96  ? 7.77300  -0.59200 -39.20200 1.000 62.31265  ? 415 LYS A HB2  1 
ATOM   1434 H  HB3  . LYS A 1 96  ? 6.87000  0.28800  -38.28400 1.000 62.31265  ? 415 LYS A HB3  1 
ATOM   1435 H  HG2  . LYS A 1 96  ? 8.92600  -0.05600 -37.30500 1.000 74.78396  ? 415 LYS A HG2  1 
ATOM   1436 H  HG3  . LYS A 1 96  ? 7.78800  -0.63500 -36.40800 1.000 74.78396  ? 415 LYS A HG3  1 
ATOM   1437 H  HD2  . LYS A 1 96  ? 8.26300  -2.79100 -37.17700 1.000 76.37421  ? 415 LYS A HD2  1 
ATOM   1438 H  HD3  . LYS A 1 96  ? 9.37700  -2.22300 -38.10900 1.000 76.37421  ? 415 LYS A HD3  1 
ATOM   1439 H  HE2  . LYS A 1 96  ? 10.47800 -1.33700 -36.21800 1.000 72.38382  ? 415 LYS A HE2  1 
ATOM   1440 H  HE3  . LYS A 1 96  ? 9.38300  -1.96700 -35.30300 1.000 72.38382  ? 415 LYS A HE3  1 
ATOM   1441 H  HZ1  . LYS A 1 96  ? 11.37300 -3.20700 -35.75500 1.000 87.92966  ? 415 LYS A HZ1  1 
ATOM   1442 H  HZ2  . LYS A 1 96  ? 10.11600 -3.93300 -35.68000 1.000 87.92966  ? 415 LYS A HZ2  1 
ATOM   1443 H  HZ3  . LYS A 1 96  ? 10.69000 -3.60400 -36.97400 1.000 87.92966  ? 415 LYS A HZ3  1 
ATOM   1444 N  N    . TYR A 1 97  ? 5.17500  -3.00500 -36.62700 1.000 60.52681  ? 416 TYR A N    1 
ATOM   1445 C  CA   . TYR A 1 97  ? 4.20900  -3.18900 -35.54200 1.000 56.09674  ? 416 TYR A CA   1 
ATOM   1446 C  C    . TYR A 1 97  ? 4.71200  -2.59700 -34.22700 1.000 53.28712  ? 416 TYR A C    1 
ATOM   1447 O  O    . TYR A 1 97  ? 3.97400  -1.88600 -33.53500 1.000 66.74483  ? 416 TYR A O    1 
ATOM   1448 C  CB   . TYR A 1 97  ? 3.87300  -4.67300 -35.38500 1.000 65.35271  ? 416 TYR A CB   1 
ATOM   1449 C  CG   . TYR A 1 97  ? 2.68000  -4.97000 -34.49000 1.000 61.26970  ? 416 TYR A CG   1 
ATOM   1450 C  CD1  . TYR A 1 97  ? 1.43200  -4.40900 -34.73300 1.000 57.91581  ? 416 TYR A CD1  1 
ATOM   1451 C  CD2  . TYR A 1 97  ? 2.81400  -5.79900 -33.38900 1.000 60.67074  ? 416 TYR A CD2  1 
ATOM   1452 C  CE1  . TYR A 1 97  ? 0.34800  -4.67900 -33.90800 1.000 59.35182  ? 416 TYR A CE1  1 
ATOM   1453 C  CE2  . TYR A 1 97  ? 1.73400  -6.07800 -32.56400 1.000 71.89909  ? 416 TYR A CE2  1 
ATOM   1454 C  CZ   . TYR A 1 97  ? 0.50500  -5.51000 -32.82300 1.000 65.88094  ? 416 TYR A CZ   1 
ATOM   1455 O  OH   . TYR A 1 97  ? -0.56900 -5.81300 -32.02900 1.000 63.65390  ? 416 TYR A OH   1 
ATOM   1456 H  H    . TYR A 1 97  ? 5.50600  -3.73100 -36.94900 1.000 73.11710  ? 416 TYR A H    1 
ATOM   1457 H  HA   . TYR A 1 97  ? 3.40000  -2.70800 -35.77600 1.000 67.80102  ? 416 TYR A HA   1 
ATOM   1458 H  HB2  . TYR A 1 97  ? 3.70200  -5.04700 -36.26400 1.000 78.90818  ? 416 TYR A HB2  1 
ATOM   1459 H  HB3  . TYR A 1 97  ? 4.65000  -5.13100 -35.02800 1.000 78.90818  ? 416 TYR A HB3  1 
ATOM   1460 H  HD1  . TYR A 1 97  ? 1.32100  -3.84200 -35.46200 1.000 67.93943  ? 416 TYR A HD1  1 
ATOM   1461 H  HD2  . TYR A 1 97  ? 3.64300  -6.17600 -33.19900 1.000 71.77449  ? 416 TYR A HD2  1 
ATOM   1462 H  HE1  . TYR A 1 97  ? -0.48200 -4.29900 -34.08800 1.000 70.03239  ? 416 TYR A HE1  1 
ATOM   1463 H  HE2  . TYR A 1 97  ? 1.83900  -6.64800 -31.83700 1.000 86.76384  ? 416 TYR A HE2  1 
ATOM   1464 H  HH   . TYR A 1 97  ? -1.04800 -5.13000 -31.93300 1.000 74.47166  ? 416 TYR A HH   1 
ATOM   1465 N  N    . HIS A 1 98  ? 5.96200  -2.87600 -33.86000 1.000 65.78772  ? 417 HIS A N    1 
ATOM   1466 C  CA   . HIS A 1 98  ? 6.55900  -2.34300 -32.63200 1.000 55.01948  ? 417 HIS A CA   1 
ATOM   1467 C  C    . HIS A 1 98  ? 7.75000  -1.46600 -33.00800 1.000 59.38396  ? 417 HIS A C    1 
ATOM   1468 O  O    . HIS A 1 98  ? 8.87600  -1.95100 -33.13400 1.000 55.17326  ? 417 HIS A O    1 
ATOM   1469 C  CB   . HIS A 1 98  ? 6.98500  -3.45900 -31.67400 1.000 60.96509  ? 417 HIS A CB   1 
ATOM   1470 C  CG   . HIS A 1 98  ? 5.84400  -4.24700 -31.11400 1.000 67.07853  ? 417 HIS A CG   1 
ATOM   1471 N  ND1  . HIS A 1 98  ? 4.64400  -3.66600 -30.77800 1.000 68.79161  ? 417 HIS A ND1  1 
ATOM   1472 C  CD2  . HIS A 1 98  ? 5.72700  -5.54400 -30.82600 1.000 75.61611  ? 417 HIS A CD2  1 
ATOM   1473 C  CE1  . HIS A 1 98  ? 3.83700  -4.59800 -30.30200 1.000 74.51139  ? 417 HIS A CE1  1 
ATOM   1474 N  NE2  . HIS A 1 98  ? 4.47300  -5.74500 -30.32100 1.000 75.74276  ? 417 HIS A NE2  1 
ATOM   1475 H  H    . HIS A 1 98  ? 6.48900  -3.38000 -34.31500 1.000 79.43020  ? 417 HIS A H    1 
ATOM   1476 H  HA   . HIS A 1 98  ? 5.89400  -1.81400 -32.16400 1.000 66.50831  ? 417 HIS A HA   1 
ATOM   1477 H  HB2  . HIS A 1 98  ? 7.58500  -4.06200 -32.14100 1.000 73.64305  ? 417 HIS A HB2  1 
ATOM   1478 H  HB3  . HIS A 1 98  ? 7.48800  -3.07000 -30.94100 1.000 73.64305  ? 417 HIS A HB3  1 
ATOM   1479 H  HD2  . HIS A 1 98  ? 6.38000  -6.19500 -30.94800 1.000 91.22427  ? 417 HIS A HD2  1 
ATOM   1480 H  HE1  . HIS A 1 98  ? 2.96700  -4.46400 -30.00400 1.000 89.89860  ? 417 HIS A HE1  1 
ATOM   1481 H  HE2  . HIS A 1 98  ? 4.15400  -6.49900 -30.05800 1.000 91.37625  ? 417 HIS A HE2  1 
ATOM   1482 N  N    . TYR A 1 99  ? 7.49900  -0.16900 -33.17200 1.000 45.23960  ? 418 TYR A N    1 
ATOM   1483 C  CA   . TYR A 1 99  ? 8.55900  0.80100  -33.43700 1.000 51.74879  ? 418 TYR A CA   1 
ATOM   1484 C  C    . TYR A 1 99  ? 8.98800  1.38300  -32.09300 1.000 48.69508  ? 418 TYR A C    1 
ATOM   1485 O  O    . TYR A 1 99  ? 8.34800  2.29100  -31.55700 1.000 54.51015  ? 418 TYR A O    1 
ATOM   1486 C  CB   . TYR A 1 99  ? 8.07700  1.86700  -34.41400 1.000 45.88389  ? 418 TYR A CB   1 
ATOM   1487 C  CG   . TYR A 1 99  ? 9.17400  2.70900  -35.02700 1.000 54.64435  ? 418 TYR A CG   1 
ATOM   1488 C  CD1  . TYR A 1 99  ? 10.30400 2.13200  -35.58100 1.000 59.64593  ? 418 TYR A CD1  1 
ATOM   1489 C  CD2  . TYR A 1 99  ? 9.05800  4.08800  -35.07400 1.000 61.71826  ? 418 TYR A CD2  1 
ATOM   1490 C  CE1  . TYR A 1 99  ? 11.29700 2.90600  -36.15600 1.000 70.32302  ? 418 TYR A CE1  1 
ATOM   1491 C  CE2  . TYR A 1 99  ? 10.05100 4.87700  -35.62900 1.000 51.23804  ? 418 TYR A CE2  1 
ATOM   1492 C  CZ   . TYR A 1 99  ? 11.17200 4.28200  -36.17100 1.000 64.26690  ? 418 TYR A CZ   1 
ATOM   1493 O  OH   . TYR A 1 99  ? 12.16600 5.03100  -36.74100 1.000 86.84881  ? 418 TYR A OH   1 
ATOM   1494 H  H    . TYR A 1 99  ? 6.71100  0.17300  -33.13300 1.000 54.77245  ? 418 TYR A H    1 
ATOM   1495 H  HA   . TYR A 1 99  ? 9.32400  0.38200  -33.86100 1.000 62.58349  ? 418 TYR A HA   1 
ATOM   1496 H  HB2  . TYR A 1 99  ? 7.58200  1.43400  -35.12700 1.000 55.54561  ? 418 TYR A HB2  1 
ATOM   1497 H  HB3  . TYR A 1 99  ? 7.45600  2.45300  -33.95300 1.000 55.54561  ? 418 TYR A HB3  1 
ATOM   1498 H  HD1  . TYR A 1 99  ? 10.39800 1.20700  -35.56700 1.000 72.06005  ? 418 TYR A HD1  1 
ATOM   1499 H  HD2  . TYR A 1 99  ? 8.29700  4.49300  -34.72500 1.000 74.54685  ? 418 TYR A HD2  1 
ATOM   1500 H  HE1  . TYR A 1 99  ? 12.04600 2.50100  -36.53100 1.000 84.87255  ? 418 TYR A HE1  1 
ATOM   1501 H  HE2  . TYR A 1 99  ? 9.96300  5.80300  -35.63700 1.000 61.97058  ? 418 TYR A HE2  1 
ATOM   1502 H  HH   . TYR A 1 99  ? 11.83500 5.72300  -37.08300 1.000 104.70350 ? 418 TYR A HH   1 
ATOM   1503 N  N    . GLU A 1 100 ? 10.08300 0.85100  -31.55900 1.000 47.72818  ? 419 GLU A N    1 
ATOM   1504 C  CA   . GLU A 1 100 ? 10.50200 1.09100  -30.19900 1.000 45.90811  ? 419 GLU A CA   1 
ATOM   1505 C  C    . GLU A 1 100 ? 10.90300 2.52000  -29.88100 1.000 46.18528  ? 419 GLU A C    1 
ATOM   1506 O  O    . GLU A 1 100 ? 11.47800 3.28700  -30.65900 1.000 47.45968  ? 419 GLU A O    1 
ATOM   1507 C  CB   . GLU A 1 100 ? 11.66800 0.15400  -29.83400 1.000 50.38059  ? 419 GLU A CB   1 
ATOM   1508 C  CG   . GLU A 1 100 ? 11.29800 -1.30800 -30.05000 1.000 56.56304  ? 419 GLU A CG   1 
ATOM   1509 C  CD   . GLU A 1 100 ? 10.18000 -1.85300 -29.15700 1.000 73.47625  ? 419 GLU A CD   1 
ATOM   1510 O  OE1  . GLU A 1 100 ? 9.85600  -1.26200 -28.09400 1.000 65.05823  ? 419 GLU A OE1  1 
ATOM   1511 O  OE2  . GLU A 1 100 ? 9.63000  -2.91100 -29.53000 1.000 74.84058  ? 419 GLU A OE2  1 
ATOM   1512 H  H    . GLU A 1 100 ? 10.61000 0.32900  -31.99400 1.000 57.75875  ? 419 GLU A H    1 
ATOM   1513 H  HA   . GLU A 1 100 ? 9.71300  0.91100  -29.66400 1.000 55.57467  ? 419 GLU A HA   1 
ATOM   1514 H  HB2  . GLU A 1 100 ? 12.44400 0.37600  -30.37300 1.000 60.94165  ? 419 GLU A HB2  1 
ATOM   1515 H  HB3  . GLU A 1 100 ? 11.91800 0.29200  -28.90700 1.000 60.94165  ? 419 GLU A HB3  1 
ATOM   1516 H  HG2  . GLU A 1 100 ? 11.03400 -1.42400 -30.97600 1.000 68.36058  ? 419 GLU A HG2  1 
ATOM   1517 H  HG3  . GLU A 1 100 ? 12.09200 -1.84800 -29.91200 1.000 68.36058  ? 419 GLU A HG3  1 
ATOM   1518 N  N    . GLY A 1 101 ? 10.63300 2.87800  -28.62900 1.000 40.03471  ? 420 GLY A N    1 
ATOM   1519 C  CA   . GLY A 1 101 ? 11.16800 4.09600  -28.04300 1.000 35.61316  ? 420 GLY A CA   1 
ATOM   1520 C  C    . GLY A 1 101 ? 10.57000 5.38200  -28.56800 1.000 41.07197  ? 420 GLY A C    1 
ATOM   1521 O  O    . GLY A 1 101 ? 11.29400 6.36900  -28.75000 1.000 59.81826  ? 420 GLY A O    1 
ATOM   1522 H  H    . GLY A 1 101 ? 10.13500 2.42000  -28.09800 1.000 48.52658  ? 420 GLY A H    1 
ATOM   1523 H  HA2  . GLY A 1 101 ? 11.03300 4.06200  -27.08300 1.000 43.22072  ? 420 GLY A HA2  1 
ATOM   1524 H  HA3  . GLY A 1 101 ? 12.12600 4.11700  -28.19400 1.000 43.22072  ? 420 GLY A HA3  1 
ATOM   1525 N  N    . MET A 1 102 ? 9.26000  5.40100  -28.80200 1.000 33.46611  ? 421 MET A N    1 
ATOM   1526 C  CA   . MET A 1 102 ? 8.59300  6.55800  -29.37500 1.000 43.78711  ? 421 MET A CA   1 
ATOM   1527 C  C    . MET A 1 102 ? 7.73200  7.32000  -28.38100 1.000 46.28384  ? 421 MET A C    1 
ATOM   1528 O  O    . MET A 1 102 ? 7.29600  8.43300  -28.69200 1.000 39.34010  ? 421 MET A O    1 
ATOM   1529 C  CB   . MET A 1 102 ? 7.72300  6.12100  -30.56300 1.000 42.33136  ? 421 MET A CB   1 
ATOM   1530 C  CG   . MET A 1 102 ? 8.52800  5.62400  -31.74300 1.000 40.00990  ? 421 MET A CG   1 
ATOM   1531 S  SD   . MET A 1 102 ? 9.38600  6.96100  -32.47300 1.000 45.75054  ? 421 MET A SD   1 
ATOM   1532 C  CE   . MET A 1 102 ? 7.97700  7.80500  -33.25900 1.000 42.31826  ? 421 MET A CE   1 
ATOM   1533 H  H    . MET A 1 102 ? 8.73600  4.74100  -28.63200 1.000 40.64427  ? 421 MET A H    1 
ATOM   1534 H  HA   . MET A 1 102 ? 9.29600  7.16200  -29.66200 1.000 53.02947  ? 421 MET A HA   1 
ATOM   1535 H  HB2  . MET A 1 102 ? 7.11900  5.41900  -30.27300 1.000 51.28257  ? 421 MET A HB2  1 
ATOM   1536 H  HB3  . MET A 1 102 ? 7.17400  6.86900  -30.84600 1.000 51.28257  ? 421 MET A HB3  1 
ATOM   1537 H  HG2  . MET A 1 102 ? 9.15600  4.94400  -31.45400 1.000 48.49682  ? 421 MET A HG2  1 
ATOM   1538 H  HG3  . MET A 1 102 ? 7.94100  5.21000  -32.39500 1.000 48.49682  ? 421 MET A HG3  1 
ATOM   1539 H  HE1  . MET A 1 102 ? 8.29200  8.59600  -33.72300 1.000 51.26685  ? 421 MET A HE1  1 
ATOM   1540 H  HE2  . MET A 1 102 ? 7.55300  7.20600  -33.89300 1.000 51.26685  ? 421 MET A HE2  1 
ATOM   1541 H  HE3  . MET A 1 102 ? 7.33400  8.06300  -32.58000 1.000 51.26685  ? 421 MET A HE3  1 
ATOM   1542 N  N    . SER A 1 103 ? 7.49600  6.77100  -27.19400 1.000 50.39356  ? 422 SER A N    1 
ATOM   1543 C  CA   . SER A 1 103 ? 6.46200  7.28200  -26.31000 1.000 37.86082  ? 422 SER A CA   1 
ATOM   1544 C  C    . SER A 1 103 ? 6.88400  7.05300  -24.86700 1.000 49.39575  ? 422 SER A C    1 
ATOM   1545 O  O    . SER A 1 103 ? 7.35600  5.96500  -24.52700 1.000 34.79079  ? 422 SER A O    1 
ATOM   1546 C  CB   . SER A 1 103 ? 5.13300  6.58300  -26.60900 1.000 52.17283  ? 422 SER A CB   1 
ATOM   1547 O  OG   . SER A 1 103 ? 4.06000  7.21400  -25.95600 1.000 87.38665  ? 422 SER A OG   1 
ATOM   1548 H  H    . SER A 1 103 ? 7.92900  6.09600  -26.88200 1.000 60.95721  ? 422 SER A H    1 
ATOM   1549 H  HA   . SER A 1 103 ? 6.34200  8.23400  -26.45400 1.000 45.91792  ? 422 SER A HA   1 
ATOM   1550 H  HB2  . SER A 1 103 ? 4.97500  6.58200  -27.56600 1.000 63.09233  ? 422 SER A HB2  1 
ATOM   1551 H  HB3  . SER A 1 103 ? 5.18400  5.65600  -26.32900 1.000 63.09233  ? 422 SER A HB3  1 
ATOM   1552 H  HG   . SER A 1 103 ? 4.35700  7.76500  -25.39600 1.000 105.34891 ? 422 SER A HG   1 
ATOM   1553 N  N    . VAL A 1 104 ? 6.71600  8.07000  -24.01800 1.000 39.36545  ? 423 VAL A N    1 
ATOM   1554 C  CA   . VAL A 1 104 ? 7.14100  7.91700  -22.62400 1.000 40.52936  ? 423 VAL A CA   1 
ATOM   1555 C  C    . VAL A 1 104 ? 6.22100  6.98200  -21.83400 1.000 36.86889  ? 423 VAL A C    1 
ATOM   1556 O  O    . VAL A 1 104 ? 5.00500  7.16800  -21.80400 1.000 51.14904  ? 423 VAL A O    1 
ATOM   1557 C  CB   . VAL A 1 104 ? 7.18900  9.24700  -21.90500 1.000 44.66865  ? 423 VAL A CB   1 
ATOM   1558 C  CG1  . VAL A 1 104 ? 7.50500  9.03500  -20.42500 1.000 38.99570  ? 423 VAL A CG1  1 
ATOM   1559 C  CG2  . VAL A 1 104 ? 8.15300  10.22200 -22.55600 1.000 39.68767  ? 423 VAL A CG2  1 
ATOM   1560 H  H    . VAL A 1 104 ? 6.37000  8.83100  -24.21900 1.000 47.72347  ? 423 VAL A H    1 
ATOM   1561 H  HA   . VAL A 1 104 ? 8.03000  7.53100  -22.66500 1.000 49.12016  ? 423 VAL A HA   1 
ATOM   1562 H  HB   . VAL A 1 104 ? 6.31100  9.65400  -21.97500 1.000 54.08731  ? 423 VAL A HB   1 
ATOM   1563 H  HG11 . VAL A 1 104 ? 7.53300  9.89300  -19.97400 1.000 47.27977  ? 423 VAL A HG11 1 
ATOM   1564 H  HG12 . VAL A 1 104 ? 6.81700  8.48100  -20.02300 1.000 47.27977  ? 423 VAL A HG12 1 
ATOM   1565 H  HG13 . VAL A 1 104 ? 8.36500  8.59600  -20.33700 1.000 47.27977  ? 423 VAL A HG13 1 
ATOM   1566 H  HG21 . VAL A 1 104 ? 8.15100  11.05700 -22.06300 1.000 48.11013  ? 423 VAL A HG21 1 
ATOM   1567 H  HG22 . VAL A 1 104 ? 9.04700  9.84600  -22.55000 1.000 48.11013  ? 423 VAL A HG22 1 
ATOM   1568 H  HG23 . VAL A 1 104 ? 7.87800  10.38600 -23.47200 1.000 48.11013  ? 423 VAL A HG23 1 
ATOM   1569 N  N    . ALA A 1 105 ? 6.79500  5.96300  -21.19000 1.000 41.90045  ? 424 ALA A N    1 
ATOM   1570 C  CA   . ALA A 1 105 ? 6.06200  5.18500  -20.21900 1.000 44.21511  ? 424 ALA A CA   1 
ATOM   1571 C  C    . ALA A 1 105 ? 6.30100  5.66300  -18.76800 1.000 43.81520  ? 424 ALA A C    1 
ATOM   1572 O  O    . ALA A 1 105 ? 5.39500  5.56000  -17.97300 1.000 49.73346  ? 424 ALA A O    1 
ATOM   1573 C  CB   . ALA A 1 105 ? 6.34100  3.65600  -20.33900 1.000 36.72782  ? 424 ALA A CB   1 
ATOM   1574 H  H    . ALA A 1 105 ? 7.61000  5.71400  -21.30800 1.000 50.76547  ? 424 ALA A H    1 
ATOM   1575 H  HA   . ALA A 1 105 ? 5.12700  5.33300  -20.42900 1.000 53.54306  ? 424 ALA A HA   1 
ATOM   1576 H  HB1  . ALA A 1 105 ? 5.82700  3.18000  -19.66800 1.000 41.64872  ? 424 ALA A HB1  1 
ATOM   1577 H  HB2  . ALA A 1 105 ? 6.08300  3.34800  -21.22200 1.000 41.64872  ? 424 ALA A HB2  1 
ATOM   1578 H  HB3  . ALA A 1 105 ? 7.28600  3.48800  -20.20200 1.000 41.64872  ? 424 ALA A HB3  1 
ATOM   1579 N  N    . GLU A 1 106 ? 7.50700  6.10800  -18.41600 1.000 60.94842  ? 425 GLU A N    1 
ATOM   1580 C  CA   . GLU A 1 106 ? 7.79400  6.54500  -17.05700 1.000 40.05703  ? 425 GLU A CA   1 
ATOM   1581 C  C    . GLU A 1 106 ? 8.83600  7.64700  -17.08400 1.000 37.97116  ? 425 GLU A C    1 
ATOM   1582 O  O    . GLU A 1 106 ? 9.68900  7.60800  -17.96100 1.000 46.41420  ? 425 GLU A O    1 
ATOM   1583 C  CB   . GLU A 1 106 ? 8.32500  5.40200  -16.20600 1.000 54.51223  ? 425 GLU A CB   1 
ATOM   1584 C  CG   . GLU A 1 106 ? 7.29400  4.32300  -16.06800 1.000 58.97265  ? 425 GLU A CG   1 
ATOM   1585 C  CD   . GLU A 1 106 ? 7.66700  3.16900  -15.19500 1.000 83.14237  ? 425 GLU A CD   1 
ATOM   1586 O  OE1  . GLU A 1 106 ? 8.84600  3.07400  -14.76800 1.000 97.81891  ? 425 GLU A OE1  1 
ATOM   1587 O  OE2  . GLU A 1 106 ? 6.75400  2.35200  -14.93900 1.000 92.90452  ? 425 GLU A OE2  1 
ATOM   1588 H  H    . GLU A 1 106 ? 8.17400  6.16400  -18.95500 1.000 73.62303  ? 425 GLU A H    1 
ATOM   1589 H  HA   . GLU A 1 106 ? 6.96500  6.86600  -16.67000 1.000 48.55337  ? 425 GLU A HA   1 
ATOM   1590 H  HB2  . GLU A 1 106 ? 9.12900  5.03800  -16.60900 1.000 65.89961  ? 425 GLU A HB2  1 
ATOM   1591 H  HB3  . GLU A 1 106 ? 8.57300  5.73300  -15.32900 1.000 65.89961  ? 425 GLU A HB3  1 
ATOM   1592 H  HG2  . GLU A 1 106 ? 6.48100  4.72000  -15.71900 1.000 71.25212  ? 425 GLU A HG2  1 
ATOM   1593 H  HG3  . GLU A 1 106 ? 7.08700  3.98300  -16.95300 1.000 71.25212  ? 425 GLU A HG3  1 
ATOM   1594 N  N    . CYS A 1 107 ? 8.76700  8.56700  -16.09700 1.000 41.78503  ? 426 CYS A N    1 
ATOM   1595 C  CA   . CYS A 1 107 ? 9.59200  9.75100  -15.99800 1.000 33.24971  ? 426 CYS A CA   1 
ATOM   1596 C  C    . CYS A 1 107 ? 10.38400 9.56500  -14.71800 1.000 46.17245  ? 426 CYS A C    1 
ATOM   1597 O  O    . CYS A 1 107 ? 9.88100  8.96400  -13.82800 1.000 39.46693  ? 426 CYS A O    1 
ATOM   1598 C  CB   . CYS A 1 107 ? 8.73000  11.00100 -15.88700 1.000 51.32213  ? 426 CYS A CB   1 
ATOM   1599 S  SG   . CYS A 1 107 ? 7.94000  11.49200 -17.43200 1.000 91.75978  ? 426 CYS A SG   1 
ATOM   1600 H  H    . CYS A 1 107 ? 8.20800  8.49800  -15.44700 1.000 50.62696  ? 426 CYS A H    1 
ATOM   1601 H  HA   . CYS A 1 107 ? 10.15700 9.86200  -16.77900 1.000 40.38458  ? 426 CYS A HA   1 
ATOM   1602 H  HB2  . CYS A 1 107 ? 8.04400  10.85000 -15.21800 1.000 62.07149  ? 426 CYS A HB2  1 
ATOM   1603 H  HB3  . CYS A 1 107 ? 9.28000  11.73400 -15.56900 1.000 62.07149  ? 426 CYS A HB3  1 
ATOM   1604 N  N    . GLY A 1 108 ? 11.55000 10.15900 -14.57400 1.000 32.12697  ? 427 GLY A N    1 
ATOM   1605 C  CA   . GLY A 1 108 ? 12.21100 10.16800 -13.28100 1.000 36.98978  ? 427 GLY A CA   1 
ATOM   1606 C  C    . GLY A 1 108 ? 13.36200 11.15500 -13.39300 1.000 54.25136  ? 427 GLY A C    1 
ATOM   1607 O  O    . GLY A 1 108 ? 13.71300 11.55700 -14.49800 1.000 41.73068  ? 427 GLY A O    1 
ATOM   1608 H  H    . GLY A 1 108 ? 11.97600 10.56100 -15.20400 1.000 38.70568  ? 427 GLY A H    1 
ATOM   1609 H  HA2  . GLY A 1 108 ? 11.59500 10.43400 -12.58000 1.000 44.87266  ? 427 GLY A HA2  1 
ATOM   1610 H  HA3  . GLY A 1 108 ? 12.53600 9.28300  -13.05300 1.000 44.87266  ? 427 GLY A HA3  1 
ATOM   1611 N  N    . CYS A 1 109 ? 13.99300 11.45900 -12.25900 1.000 44.03105  ? 428 CYS A N    1 
ATOM   1612 C  CA   . CYS A 1 109 ? 15.08500 12.41800 -12.20000 1.000 34.91801  ? 428 CYS A CA   1 
ATOM   1613 C  C    . CYS A 1 109 ? 16.36900 11.61000 -12.35700 1.000 42.87121  ? 428 CYS A C    1 
ATOM   1614 O  O    . CYS A 1 109 ? 16.45200 10.55100 -11.77400 1.000 47.77916  ? 428 CYS A O    1 
ATOM   1615 C  CB   . CYS A 1 109 ? 15.03100 13.24900 -10.89500 1.000 36.00726  ? 428 CYS A CB   1 
ATOM   1616 S  SG   . CYS A 1 109 ? 13.67100 14.48300 -10.94300 1.000 47.25218  ? 428 CYS A SG   1 
ATOM   1617 H  H    . CYS A 1 109 ? 13.79500 11.11000 -11.49900 1.000 53.32219  ? 428 CYS A H    1 
ATOM   1618 H  HA   . CYS A 1 109 ? 15.02800 13.07800 -12.90800 1.000 42.38654  ? 428 CYS A HA   1 
ATOM   1619 H  HB2  . CYS A 1 109 ? 14.90600 12.65700 -10.13700 1.000 41.14963  ? 428 CYS A HB2  1 
ATOM   1620 H  HB3  . CYS A 1 109 ? 15.87800 13.70300 -10.76300 1.000 41.14963  ? 428 CYS A HB3  1 
ATOM   1621 N  N    . ARG A 1 110 ? 17.23900 12.02400 -13.29600 1.000 43.96046  ? 429 ARG A N    1 
ATOM   1622 C  CA   . ARG A 1 110 ? 18.45300 11.27500 -13.57700 1.000 51.09859  ? 429 ARG A CA   1 
ATOM   1623 C  C    . ARG A 1 110 ? 19.72300 12.21700 -13.58400 1.000 38.95022  ? 429 ARG A C    1 
ATOM   1624 O  O    . ARG A 1 110 ? 20.81100 11.79200 -13.03700 1.000 41.54183  ? 429 ARG A O    1 
ATOM   1625 C  CB   . ARG A 1 110 ? 18.26200 10.46900 -14.85900 1.000 45.79274  ? 429 ARG A CB   1 
ATOM   1626 C  CG   . ARG A 1 110 ? 17.33200 9.34300  -14.72200 1.000 41.22486  ? 429 ARG A CG   1 
ATOM   1627 C  CD   . ARG A 1 110 ? 17.79300 8.32400  -13.75700 1.000 39.52612  ? 429 ARG A CD   1 
ATOM   1628 N  NE   . ARG A 1 110 ? 16.84400 7.24300  -13.70300 1.000 41.86217  ? 429 ARG A NE   1 
ATOM   1629 C  CZ   . ARG A 1 110 ? 15.81800 7.15700  -12.84100 1.000 48.58248  ? 429 ARG A CZ   1 
ATOM   1630 N  NH1  . ARG A 1 110 ? 15.49700 8.14800  -11.99500 1.000 39.48122  ? 429 ARG A NH1  1 
ATOM   1631 N  NH2  . ARG A 1 110 ? 15.07100 6.06200  -12.86300 1.000 41.25613  ? 429 ARG A NH2  1 
ATOM   1632 O  OXT  . ARG A 1 110 ? 19.64100 13.41800 -14.01200 1.000 60.81567  ? 429 ARG A OXT  1 
ATOM   1633 H  H    . ARG A 1 110 ? 17.13600 12.73300 -13.77200 1.000 53.23748  ? 429 ARG A H    1 
ATOM   1634 H  HA   . ARG A 1 110 ? 18.62500 10.63800 -12.86600 1.000 61.80324  ? 429 ARG A HA   1 
ATOM   1635 H  HB2  . ARG A 1 110 ? 17.93900 11.06000 -15.55700 1.000 55.43622  ? 429 ARG A HB2  1 
ATOM   1636 H  HB3  . ARG A 1 110 ? 19.12400 10.13100 -15.14900 1.000 55.43622  ? 429 ARG A HB3  1 
ATOM   1637 H  HG2  . ARG A 1 110 ? 16.46600 9.67800  -14.44100 1.000 49.95476  ? 429 ARG A HG2  1 
ATOM   1638 H  HG3  . ARG A 1 110 ? 17.20700 8.92600  -15.58900 1.000 49.95476  ? 429 ARG A HG3  1 
ATOM   1639 H  HD2  . ARG A 1 110 ? 18.66400 7.98800  -14.01900 1.000 45.00668  ? 429 ARG A HD2  1 
ATOM   1640 H  HD3  . ARG A 1 110 ? 17.89500 8.72100  -12.87800 1.000 45.00668  ? 429 ARG A HD3  1 
ATOM   1641 H  HE   . ARG A 1 110 ? 16.94200 6.60200  -14.26700 1.000 50.71953  ? 429 ARG A HE   1 
ATOM   1642 H  HH11 . ARG A 1 110 ? 15.95600 8.87500  -11.99100 1.000 44.95280  ? 429 ARG A HH11 1 
ATOM   1643 H  HH12 . ARG A 1 110 ? 14.83200 8.05600  -11.45700 1.000 44.95280  ? 429 ARG A HH12 1 
ATOM   1644 H  HH21 . ARG A 1 110 ? 15.24900 5.43100  -13.41900 1.000 47.18775  ? 429 ARG A HH21 1 
ATOM   1645 H  HH22 . ARG A 1 110 ? 14.40800 5.98300  -12.32100 1.000 47.18775  ? 429 ARG A HH22 1 
HETATM 1646 C  C1   . GOL B 2 .   ? 1.79700  -2.31300 -28.89700 0.500 57.27117  ? 501 GOL A C1   1 
HETATM 1647 O  O1   . GOL B 2 .   ? 1.62300  -3.70500 -28.67300 0.500 61.17746  ? 501 GOL A O1   1 
HETATM 1648 C  C2   . GOL B 2 .   ? 0.76100  -1.77500 -29.85700 0.600 56.37176  ? 501 GOL A C2   1 
HETATM 1649 O  O2   . GOL B 2 .   ? 1.12300  -0.43400 -30.19000 0.600 58.41490  ? 501 GOL A O2   1 
HETATM 1650 C  C3   . GOL B 2 .   ? 0.58500  -2.61400 -31.10700 0.600 56.46712  ? 501 GOL A C3   1 
HETATM 1651 O  O3   . GOL B 2 .   ? -0.12200 -1.90600 -32.12900 0.600 58.31842  ? 501 GOL A O3   1 
HETATM 1652 H  H11  . GOL B 2 .   ? 2.68500  -2.14900 -29.25200 0.500 69.21034  ? 501 GOL A H11  1 
HETATM 1653 H  H12  . GOL B 2 .   ? 1.73600  -1.83800 -28.05300 0.500 69.21034  ? 501 GOL A H12  1 
HETATM 1654 H  HO1  . GOL B 2 .   ? 2.27800  -4.00300 -28.24000 0.500 73.89789  ? 501 GOL A HO1  1 
HETATM 1655 H  H2   . GOL B 2 .   ? -0.10100 -1.80600 -29.41400 0.600 68.13105  ? 501 GOL A H2   1 
HETATM 1656 H  HO2  . GOL B 2 .   ? 0.82100  -0.24300 -30.95000 0.600 70.58281  ? 501 GOL A HO2  1 
HETATM 1657 H  H31  . GOL B 2 .   ? 0.10400  -3.42700 -30.88600 0.600 68.24547  ? 501 GOL A H31  1 
HETATM 1658 H  H32  . GOL B 2 .   ? 1.45500  -2.88100 -31.44200 0.600 68.24547  ? 501 GOL A H32  1 
HETATM 1659 H  HO3  . GOL B 2 .   ? -0.56300 -2.45000 -32.59300 0.600 70.46704  ? 501 GOL A HO3  1 
HETATM 1660 C  C1   . GOL C 2 .   ? 22.46900 15.18900 -15.47500 0.500 67.87759  ? 502 GOL A C1   1 
HETATM 1661 O  O1   . GOL C 2 .   ? 21.86100 14.58800 -14.33400 0.500 68.66407  ? 502 GOL A O1   1 
HETATM 1662 C  C2   . GOL C 2 .   ? 22.44500 16.70200 -15.40400 0.500 68.51708  ? 502 GOL A C2   1 
HETATM 1663 O  O2   . GOL C 2 .   ? 23.75500 17.23600 -15.59400 0.500 67.04727  ? 502 GOL A O2   1 
HETATM 1664 C  C3   . GOL C 2 .   ? 21.46000 17.34200 -16.36000 0.500 66.66084  ? 502 GOL A C3   1 
HETATM 1665 O  O3   . GOL C 2 .   ? 22.08900 17.76000 -17.56800 0.500 70.78720  ? 502 GOL A O3   1 
HETATM 1666 H  H11  . GOL C 2 .   ? 22.00800 14.89700 -16.27700 0.500 81.93804  ? 502 GOL A H11  1 
HETATM 1667 H  H12  . GOL C 2 .   ? 23.38700 14.88500 -15.54900 0.500 81.93804  ? 502 GOL A H12  1 
HETATM 1668 H  HO1  . GOL C 2 .   ? 21.10900 14.27900 -14.54700 0.500 82.88182  ? 502 GOL A HO1  1 
HETATM 1669 H  H2   . GOL C 2 .   ? 22.13400 16.92400 -14.51300 0.500 82.70543  ? 502 GOL A H2   1 
HETATM 1670 H  HO2  . GOL C 2 .   ? 23.72000 18.07500 -15.58100 0.500 80.94166  ? 502 GOL A HO2  1 
HETATM 1671 H  H31  . GOL C 2 .   ? 21.04300 18.10600 -15.93100 0.500 80.47794  ? 502 GOL A H31  1 
HETATM 1672 H  H32  . GOL C 2 .   ? 20.75200 16.71100 -16.56500 0.500 80.47794  ? 502 GOL A H32  1 
HETATM 1673 H  HO3  . GOL C 2 .   ? 22.87800 17.99900 -17.40500 0.500 85.42958  ? 502 GOL A HO3  1 
HETATM 1674 CL CL   . CL  D 3 .   ? 12.27400 -0.43500 -33.50200 0.990 78.93454  ? 503 CL  A CL   1 
HETATM 1675 CL CL   . CL  E 3 .   ? 20.75400 4.13000  -7.81400  0.990 56.03216  ? 504 CL  A CL   1 
HETATM 1676 CL CL   . CL  F 3 .   ? 13.41000 13.41000 0.00000   0.500 58.46841  ? 505 CL  A CL   1 
HETATM 1677 CL CL   . CL  G 3 .   ? 2.81400  21.14100 -29.67800 0.990 95.78577  ? 506 CL  A CL   1 
HETATM 1678 CL CL   . CL  H 3 .   ? 7.39900  20.15000 -2.17000  0.990 113.52415 ? 507 CL  A CL   1 
HETATM 1679 CL CL   . CL  I 3 .   ? -2.21200 8.68300  -30.05000 0.300 59.18002  ? 508 CL  A CL   1 
HETATM 1680 NA NA   . NA  J 4 .   ? 28.59400 28.01600 -7.02900  0.990 59.08843  1 509 NA  A NA   1 
HETATM 1681 NA NA   . NA  K 4 .   ? 3.77100  19.33800 -31.15300 0.990 66.29650  1 510 NA  A NA   1 
HETATM 1682 NA NA   . NA  L 4 .   ? -0.38500 7.12600  -29.97600 0.500 36.76104  ? 511 NA  A NA   1 
HETATM 1683 O  O    . HOH M 5 .   ? 9.28000  19.62200 -22.23500 0.990 58.84348  ? 601 HOH A O    1 
HETATM 1684 O  O    . HOH M 5 .   ? 22.64600 12.86000 -11.88200 0.990 37.84939  ? 602 HOH A O    1 
HETATM 1685 O  O    . HOH M 5 .   ? 10.35600 -3.86300 -32.75100 0.100 10.01952  ? 603 HOH A O    1 
HETATM 1686 O  O    . HOH M 5 .   ? 12.23100 9.85900  -46.52900 0.100 20.70024  ? 604 HOH A O    1 
HETATM 1687 O  O    . HOH M 5 .   ? 15.73100 19.82100 -13.11600 0.500 27.48650  ? 605 HOH A O    1 
HETATM 1688 O  O    . HOH M 5 .   ? 21.28900 9.33100  -12.54300 0.990 35.84065  ? 606 HOH A O    1 
HETATM 1689 O  O    . HOH M 5 .   ? 9.80400  0.90600  -26.67500 0.990 52.39402  ? 607 HOH A O    1 
HETATM 1690 O  O    . HOH M 5 .   ? 3.49700  -1.01700 -31.08900 0.500 34.66485  ? 608 HOH A O    1 
HETATM 1691 O  O    . HOH M 5 .   ? 1.75100  14.27500 -40.19400 0.200 15.31431  ? 609 HOH A O    1 
HETATM 1692 O  O    . HOH M 5 .   ? 11.07400 17.77800 -21.05500 0.500 28.76976  ? 610 HOH A O    1 
HETATM 1693 O  O    . HOH M 5 .   ? 11.08600 15.24700 -8.41200  0.300 36.66175  ? 611 HOH A O    1 
HETATM 1694 O  O    . HOH M 5 .   ? 19.98300 2.32100  -5.50700  0.500 42.59029  ? 612 HOH A O    1 
HETATM 1695 O  O    . HOH M 5 .   ? 8.88500  21.44100 -40.03400 0.300 13.98058  ? 613 HOH A O    1 
HETATM 1696 O  O    . HOH M 5 .   ? 8.50700  -0.77100 -22.93200 0.200 33.21929  ? 614 HOH A O    1 
HETATM 1697 O  O    . HOH M 5 .   ? 15.74300 20.92300 -3.45000  0.990 52.88098  ? 615 HOH A O    1 
HETATM 1698 O  O    . HOH M 5 .   ? -1.17300 6.92400  -25.26000 0.200 19.72218  ? 616 HOH A O    1 
HETATM 1699 O  O    . HOH M 5 .   ? 11.12100 4.60400  -13.86900 0.300 35.13290  ? 617 HOH A O    1 
HETATM 1700 O  O    . HOH M 5 .   ? -3.08000 9.49100  -33.44800 0.990 64.74886  ? 618 HOH A O    1 
HETATM 1701 O  O    . HOH M 5 .   ? 0.60500  15.38100 -15.73300 0.200 31.19362  ? 619 HOH A O    1 
HETATM 1702 O  O    . HOH M 5 .   ? 15.94600 3.87900  -17.14900 0.200 11.91437  ? 620 HOH A O    1 
HETATM 1703 O  O    . HOH M 5 .   ? 16.24900 10.79500 -8.94300  0.500 42.27675  ? 621 HOH A O    1 
HETATM 1704 O  O    . HOH M 5 .   ? 10.45600 20.75200 -16.70700 0.990 69.24054  ? 622 HOH A O    1 
HETATM 1705 O  O    . HOH M 5 .   ? 4.41900  10.67000 -14.24600 0.990 58.46470  ? 623 HOH A O    1 
HETATM 1706 O  O    . HOH M 5 .   ? 14.37100 3.60300  -37.96700 0.200 21.91420  ? 624 HOH A O    1 
HETATM 1707 O  O    . HOH M 5 .   ? 10.71400 14.37700 -22.07800 0.500 19.03306  ? 625 HOH A O    1 
HETATM 1708 O  O    . HOH M 5 .   ? 8.57200  20.03800 -42.32800 0.200 12.78305  ? 626 HOH A O    1 
HETATM 1709 O  O    . HOH M 5 .   ? 14.41000 18.82700 -15.14800 0.990 55.34884  ? 627 HOH A O    1 
HETATM 1710 O  O    . HOH M 5 .   ? 0.97700  13.12800 -14.62700 0.200 26.42871  ? 628 HOH A O    1 
HETATM 1711 O  O    . HOH M 5 .   ? 7.85000  -4.80500 -35.10200 0.990 59.28457  ? 629 HOH A O    1 
HETATM 1712 O  O    . HOH M 5 .   ? 4.71100  18.31400 -33.68200 0.990 50.73555  ? 630 HOH A O    1 
HETATM 1713 O  O    . HOH M 5 .   ? 12.66700 1.72700  -22.46500 0.990 48.56202  ? 631 HOH A O    1 
HETATM 1714 O  O    . HOH M 5 .   ? -0.96600 7.98000  -19.80100 0.200 37.42916  ? 632 HOH A O    1 
HETATM 1715 O  O    . HOH M 5 .   ? 9.07900  -2.51900 -25.46500 0.500 53.25895  ? 633 HOH A O    1 
HETATM 1716 O  O    . HOH M 5 .   ? 23.86800 25.24600 -13.57900 0.400 53.61842  ? 634 HOH A O    1 
HETATM 1717 O  O    . HOH M 5 .   ? 13.07600 9.91400  -9.79900  0.990 36.28733  ? 635 HOH A O    1 
HETATM 1718 O  O    . HOH M 5 .   ? 14.22900 21.37000 -10.74500 0.200 17.08637  ? 636 HOH A O    1 
HETATM 1719 O  O    . HOH M 5 .   ? 16.96200 7.56000  -18.79700 0.400 23.84806  ? 637 HOH A O    1 
HETATM 1720 O  O    . HOH M 5 .   ? 7.44700  -4.41800 -27.98700 0.990 83.98529  ? 638 HOH A O    1 
HETATM 1721 O  O    . HOH M 5 .   ? 3.03000  5.21300  -23.15000 0.200 18.49883  ? 639 HOH A O    1 
HETATM 1722 O  O    . HOH M 5 .   ? 17.99600 5.52700  -16.09300 0.500 47.33628  ? 640 HOH A O    1 
HETATM 1723 O  O    . HOH M 5 .   ? 1.03100  6.36800  -27.47700 0.500 43.93202  ? 641 HOH A O    1 
HETATM 1724 O  O    . HOH M 5 .   ? -0.09200 17.16300 -11.55600 0.300 39.48619  ? 642 HOH A O    1 
HETATM 1725 O  O    . HOH M 5 .   ? 6.66200  -5.62400 -37.81400 0.100 5.00521   ? 643 HOH A O    1 
HETATM 1726 O  O    . HOH M 5 .   ? 3.20700  -5.03400 -43.52200 0.990 64.67479  ? 644 HOH A O    1 
HETATM 1727 O  O    . HOH M 5 .   ? 2.26500  4.55100  -26.78000 0.500 57.01857  ? 645 HOH A O    1 
HETATM 1728 O  O    . HOH M 5 .   ? 8.26900  16.11300 -46.63700 0.500 51.83619  ? 646 HOH A O    1 
HETATM 1729 O  O    . HOH M 5 .   ? 17.19500 3.68400  -9.21400  0.300 39.00507  ? 647 HOH A O    1 
HETATM 1730 O  O    . HOH M 5 .   ? -1.17400 16.06100 -19.41300 0.200 30.55869  ? 648 HOH A O    1 
HETATM 1731 O  O    . HOH M 5 .   ? 5.88000  8.66200  -14.37100 0.990 59.77097  ? 649 HOH A O    1 
HETATM 1732 O  O    . HOH M 5 .   ? 13.17200 2.25900  -15.38800 0.300 40.36006  ? 650 HOH A O    1 
HETATM 1733 O  O    . HOH M 5 .   ? 4.87800  19.55900 -14.54300 0.300 38.71088  ? 651 HOH A O    1 
HETATM 1734 O  O    . HOH M 5 .   ? 0.53900  18.96900 -26.98100 0.990 69.21545  ? 652 HOH A O    1 
HETATM 1735 O  O    . HOH M 5 .   ? 25.76500 25.15200 -14.98400 0.500 57.01683  ? 653 HOH A O    1 
HETATM 1736 O  O    . HOH M 5 .   ? 1.18400  23.05700 -36.05000 0.200 36.33729  ? 654 HOH A O    1 
HETATM 1737 O  O    . HOH M 5 .   ? -0.56400 12.17900 -18.90800 0.300 44.92672  ? 655 HOH A O    1 
HETATM 1738 O  O    . HOH M 5 .   ? 3.86700  -6.47500 -38.75300 0.990 55.58902  ? 656 HOH A O    1 
HETATM 1739 O  O    . HOH M 5 .   ? 12.63300 0.98200  -25.17900 0.990 59.92436  ? 657 HOH A O    1 
HETATM 1740 O  O    . HOH M 5 .   ? 16.33800 13.78200 -7.46300  0.990 51.61749  ? 658 HOH A O    1 
HETATM 1741 O  O    . HOH M 5 .   ? 15.02700 23.18000 -8.36600  0.500 48.27420  ? 659 HOH A O    1 
HETATM 1742 O  O    . HOH M 5 .   ? 20.97500 6.98200  -14.45500 0.990 44.63728  ? 660 HOH A O    1 
HETATM 1743 O  O    . HOH M 5 .   ? 15.21700 4.61100  -22.05900 0.990 52.54268  ? 661 HOH A O    1 
HETATM 1744 O  O    . HOH M 5 .   ? 12.45900 -1.20800 -39.62800 0.990 77.20572  ? 662 HOH A O    1 
HETATM 1745 O  O    . HOH M 5 .   ? 14.36400 -1.06200 -36.81000 0.300 46.02099  ? 663 HOH A O    1 
HETATM 1746 O  O    . HOH M 5 .   ? 11.20600 1.10600  -39.82500 0.990 75.05020  ? 664 HOH A O    1 
HETATM 1747 O  O    . HOH M 5 .   ? 14.68700 2.18800  -26.30600 0.990 61.17805  ? 665 HOH A O    1 
HETATM 1748 O  O    . HOH M 5 .   ? -3.27500 7.51900  -27.39900 0.990 86.28449  ? 666 HOH A O    1 
HETATM 1749 O  O    . HOH M 5 .   ? 12.99700 2.83200  -41.92500 0.500 59.28117  ? 667 HOH A O    1 
HETATM 1750 O  O    . HOH M 5 .   ? 5.50900  -8.34800 -36.11400 0.990 69.36405  ? 668 HOH A O    1 
HETATM 1751 O  O    . HOH M 5 .   ? 0.26300  23.29600 -32.74200 0.990 75.64733  ? 669 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   ? 1.34496 1.95596 1.03757 0.35345  0.10801  -0.23931 324 GLY A N    
2    C  CA   . GLY A 5   ? 1.48538 2.06134 1.12705 0.34537  0.10512  -0.26314 324 GLY A CA   
3    C  C    . GLY A 5   ? 1.53514 1.97899 1.11911 0.32318  0.08003  -0.28290 324 GLY A C    
4    O  O    . GLY A 5   ? 1.62892 2.04956 1.17774 0.29401  0.07619  -0.28735 324 GLY A O    
5    H  HA2  . GLY A 5   ? 1.87565 1.87565 1.87565 -0.00000 -0.00000 -0.00000 324 GLY A HA2  
6    H  HA3  . GLY A 5   ? 1.87565 1.87565 1.87565 -0.00000 -0.00000 -0.00000 324 GLY A HA3  
7    N  N    . SER A 6   ? 1.55835 1.91580 1.13096 0.33446  0.05968  -0.29297 325 SER A N    
8    C  CA   . SER A 6   ? 1.56320 1.78224 1.08306 0.30645  0.02783  -0.30775 325 SER A CA   
9    C  C    . SER A 6   ? 1.50798 1.73793 1.03806 0.23371  0.03122  -0.26697 325 SER A C    
10   O  O    . SER A 6   ? 1.62723 1.76770 1.12195 0.19917  0.00735  -0.27451 325 SER A O    
11   C  CB   . SER A 6   ? 1.69392 1.81996 1.14954 0.33149  0.00527  -0.36086 325 SER A CB   
12   O  OG   . SER A 6   ? 1.77384 1.76629 1.18059 0.29342  -0.02966 -0.37051 325 SER A OG   
13   H  H    . SER A 6   ? 1.84819 1.84819 1.84819 -0.00000 -0.00000 0.00000  325 SER A H    
14   H  HA   . SER A 6   ? 1.77754 1.77754 1.77754 -0.00000 0.00000  0.00000  325 SER A HA   
15   H  HB2  . SER A 6   ? 1.87151 1.87151 1.87151 -0.00000 -0.00000 0.00000  325 SER A HB2  
16   H  HB3  . SER A 6   ? 1.87151 1.87151 1.87151 -0.00000 -0.00000 0.00000  325 SER A HB3  
17   H  HG   . SER A 6   ? 1.89443 1.89443 1.89443 0.00000  0.00000  0.00000  325 SER A HG   
18   N  N    . HIS A 7   ? 0.95754 1.29567 0.53655 0.20980  0.05870  -0.22315 326 HIS A N    
19   C  CA   . HIS A 7   ? 0.81536 1.16651 0.41091 0.14854  0.06234  -0.18164 326 HIS A CA   
20   C  C    . HIS A 7   ? 0.69764 1.03048 0.34525 0.11471  0.06203  -0.13868 326 HIS A C    
21   O  O    . HIS A 7   ? 0.79139 1.13711 0.46932 0.13518  0.06512  -0.13239 326 HIS A O    
22   C  CB   . HIS A 7   ? 0.74255 1.18469 0.36530 0.13456  0.08283  -0.15464 326 HIS A CB   
23   C  CG   . HIS A 7   ? 0.84679 1.27008 0.42160 0.13631  0.07362  -0.18172 326 HIS A CG   
24   N  ND1  . HIS A 7   ? 0.87113 1.25728 0.42299 0.09817  0.05851  -0.17470 326 HIS A ND1  
25   C  CD2  . HIS A 7   ? 0.98016 1.41754 0.52437 0.17084  0.07590  -0.21671 326 HIS A CD2  
26   C  CE1  . HIS A 7   ? 1.00794 1.38513 0.51439 0.10700  0.05057  -0.20351 326 HIS A CE1  
27   N  NE2  . HIS A 7   ? 1.02421 1.42853 0.52282 0.15063  0.06208  -0.23021 326 HIS A NE2  
28   H  H    . HIS A 7   ? 1.12205 1.12205 1.12205 -0.00000 -0.00000 0.00000  326 HIS A H    
29   H  HA   . HIS A 7   ? 0.96326 0.96326 0.96326 -0.00000 0.00000  -0.00000 326 HIS A HA   
30   H  HB2  . HIS A 7   ? 0.88978 0.88978 0.88978 0.00000  -0.00000 -0.00000 326 HIS A HB2  
31   H  HB3  . HIS A 7   ? 0.88978 0.88978 0.88978 0.00000  -0.00000 -0.00000 326 HIS A HB3  
32   H  HD1  . HIS A 7   ? 1.02670 1.02670 1.02670 -0.00000 0.00000  -0.00000 326 HIS A HD1  
33   H  HD2  . HIS A 7   ? 1.17497 1.17497 1.17497 -0.00000 0.00000  -0.00000 326 HIS A HD2  
34   H  HE1  . HIS A 7   ? 1.16913 1.16913 1.16913 0.00000  0.00000  -0.00000 326 HIS A HE1  
35   N  N    . CYS A 8   ? 0.65672 0.96335 0.31295 0.06621  0.05735  -0.11213 327 CYS A N    
36   C  CA   . CYS A 8   ? 0.64498 0.93344 0.34236 0.03218  0.05899  -0.07540 327 CYS A CA   
37   C  C    . CYS A 8   ? 0.55080 0.91647 0.29308 0.03566  0.07985  -0.04624 327 CYS A C    
38   O  O    . CYS A 8   ? 0.69590 1.13862 0.45324 0.03178  0.09726  -0.02810 327 CYS A O    
39   C  CB   . CYS A 8   ? 0.68477 0.96782 0.38668 -0.01020 0.05820  -0.05401 327 CYS A CB   
40   S  SG   . CYS A 8   ? 0.65772 0.91434 0.40179 -0.04870 0.06222  -0.01710 327 CYS A SG   
41   H  H    . CYS A 8   ? 0.74250 0.74250 0.74250 -0.00000 0.00000  0.00000  327 CYS A H    
42   H  HA   . CYS A 8   ? 0.77445 0.77445 0.77445 -0.00000 -0.00000 -0.00000 327 CYS A HA   
43   H  HB2  . CYS A 8   ? 0.82185 0.82185 0.82185 0.00000  -0.00000 -0.00000 327 CYS A HB2  
44   H  HB3  . CYS A 8   ? 0.82185 0.82185 0.82185 0.00000  -0.00000 -0.00000 327 CYS A HB3  
45   N  N    . GLN A 9   ? 0.53895 0.87718 0.30094 0.04192  0.07307  -0.04212 328 GLN A N    
46   C  CA   . GLN A 9   ? 0.56564 0.97876 0.37089 0.04207  0.08803  -0.01610 328 GLN A CA   
47   C  C    . GLN A 9   ? 0.48319 0.85083 0.30870 0.02745  0.07586  -0.00143 328 GLN A C    
48   O  O    . GLN A 9   ? 0.57037 0.85076 0.37308 0.02839  0.05561  -0.01502 328 GLN A O    
49   C  CB   . GLN A 9   ? 0.52834 1.01688 0.33859 0.09130  0.09644  -0.03622 328 GLN A CB   
50   C  CG   . GLN A 9   ? 0.70181 1.12738 0.49071 0.13662  0.07538  -0.07284 328 GLN A CG   
51   C  CD   . GLN A 9   ? 1.05324 1.56232 0.84866 0.19481  0.08655  -0.09816 328 GLN A CD   
52   O  OE1  . GLN A 9   ? 1.02722 1.64059 0.86728 0.20181  0.10279  -0.07899 328 GLN A OE1  
53   N  NE2  . GLN A 9   ? 1.15260 1.61902 0.90263 0.23674  0.07768  -0.14329 328 GLN A NE2  
54   H  H    . GLN A 9   ? 0.65612 0.65612 0.65612 0.00000  -0.00000 -0.00000 328 GLN A H    
55   H  HA   . GLN A 9   ? 0.77226 0.77226 0.77226 -0.00000 -0.00000 -0.00000 328 GLN A HA   
56   H  HB2  . GLN A 9   ? 0.72282 0.72282 0.72282 0.00000  0.00000  0.00000  328 GLN A HB2  
57   H  HB3  . GLN A 9   ? 0.72282 0.72282 0.72282 0.00000  0.00000  0.00000  328 GLN A HB3  
58   H  HG2  . GLN A 9   ? 0.93410 0.93410 0.93410 -0.00000 -0.00000 -0.00000 328 GLN A HG2  
59   H  HG3  . GLN A 9   ? 0.93410 0.93410 0.93410 -0.00000 -0.00000 -0.00000 328 GLN A HG3  
60   H  HE21 . GLN A 9   ? 1.47584 1.47584 1.47584 0.00000  0.00000  -0.00000 328 GLN A HE21 
61   H  HE22 . GLN A 9   ? 1.47584 1.47584 1.47584 0.00000  0.00000  -0.00000 328 GLN A HE22 
62   N  N    . LYS A 10  ? 0.54049 0.96662 0.40329 0.01051  0.08638  0.02696  329 LYS A N    
63   C  CA   . LYS A 10  ? 0.56583 0.96585 0.44660 -0.00489 0.07495  0.04185  329 LYS A CA   
64   C  C    . LYS A 10  ? 0.53180 0.94661 0.42154 0.03745  0.06063  0.02718  329 LYS A C    
65   O  O    . LYS A 10  ? 0.64938 1.14556 0.55564 0.07379  0.07002  0.01696  329 LYS A O    
66   C  CB   . LYS A 10  ? 0.56535 1.02335 0.47859 -0.04010 0.08860  0.07502  329 LYS A CB   
67   C  CG   . LYS A 10  ? 0.59356 1.00797 0.51357 -0.07099 0.07754  0.09052  329 LYS A CG   
68   C  CD   . LYS A 10  ? 0.57186 0.99637 0.51739 -0.10677 0.08112  0.11356  329 LYS A CD   
69   C  CE   . LYS A 10  ? 0.68885 1.19512 0.66930 -0.10620 0.07956  0.12742  329 LYS A CE   
70   N  NZ   . LYS A 10  ? 0.91567 1.39219 0.90616 -0.14137 0.06638  0.14173  329 LYS A NZ   
71   H  H    . LYS A 10  ? 0.77030 0.77030 0.77030 -0.00000 -0.00000 -0.00000 329 LYS A H    
72   H  HA   . LYS A 10  ? 0.79745 0.79745 0.79745 -0.00000 0.00000  0.00000  329 LYS A HA   
73   H  HB2  . LYS A 10  ? 0.83306 0.83306 0.83306 0.00000  0.00000  -0.00000 329 LYS A HB2  
74   H  HB3  . LYS A 10  ? 0.83306 0.83306 0.83306 0.00000  0.00000  -0.00000 329 LYS A HB3  
75   H  HG2  . LYS A 10  ? 0.85218 0.85218 0.85218 -0.00000 0.00000  -0.00000 329 LYS A HG2  
76   H  HG3  . LYS A 10  ? 0.85218 0.85218 0.85218 -0.00000 0.00000  -0.00000 329 LYS A HG3  
77   H  HD2  . LYS A 10  ? 0.84039 0.84039 0.84039 0.00000  0.00000  0.00000  329 LYS A HD2  
78   H  HD3  . LYS A 10  ? 0.84039 0.84039 0.84039 0.00000  0.00000  0.00000  329 LYS A HD3  
79   H  HE2  . LYS A 10  ? 1.02745 1.02745 1.02745 0.00000  -0.00000 -0.00000 329 LYS A HE2  
80   H  HE3  . LYS A 10  ? 1.02745 1.02745 1.02745 0.00000  -0.00000 -0.00000 329 LYS A HE3  
81   H  HZ1  . LYS A 10  ? 1.29175 1.29175 1.29175 -0.00000 0.00000  0.00000  329 LYS A HZ1  
82   H  HZ2  . LYS A 10  ? 1.29175 1.29175 1.29175 -0.00000 0.00000  0.00000  329 LYS A HZ2  
83   H  HZ3  . LYS A 10  ? 1.29175 1.29175 1.29175 -0.00000 0.00000  0.00000  329 LYS A HZ3  
84   N  N    . THR A 11  ? 0.49207 0.82859 0.36793 0.03601  0.03742  0.02542  330 THR A N    
85   C  CA   . THR A 11  ? 0.61032 0.94623 0.49273 0.07940  0.01721  0.01456  330 THR A CA   
86   C  C    . THR A 11  ? 0.53139 0.82551 0.41641 0.04916  -0.00123 0.03774  330 THR A C    
87   O  O    . THR A 11  ? 0.50466 0.76114 0.37820 0.00055  0.00360  0.05340  330 THR A O    
88   C  CB   . THR A 11  ? 0.69526 0.94462 0.53561 0.11745  -0.00201 -0.01758 330 THR A CB   
89   O  OG1  . THR A 11  ? 0.76049 0.90116 0.56362 0.07739  -0.01612 -0.01133 330 THR A OG1  
90   C  CG2  . THR A 11  ? 0.83186 1.10220 0.65424 0.14171  0.01252  -0.04553 330 THR A CG2  
91   H  H    . THR A 11  ? 0.64473 0.64473 0.64473 -0.00000 0.00000  -0.00000 330 THR A H    
92   H  HA   . THR A 11  ? 0.82586 0.82586 0.82586 -0.00000 0.00000  0.00000  330 THR A HA   
93   H  HB   . THR A 11  ? 0.87634 0.87634 0.87634 -0.00000 -0.00000 -0.00000 330 THR A HB   
94   H  HG1  . THR A 11  ? 0.89625 0.89625 0.89625 -0.00000 0.00000  0.00000  330 THR A HG1  
95   H  HG21 . THR A 11  ? 1.04146 1.04146 1.04146 0.00000  0.00000  -0.00000 330 THR A HG21 
96   H  HG22 . THR A 11  ? 1.04146 1.04146 1.04146 0.00000  0.00000  -0.00000 330 THR A HG22 
97   H  HG23 . THR A 11  ? 1.04146 1.04146 1.04146 0.00000  0.00000  -0.00000 330 THR A HG23 
98   N  N    . SER A 12  ? 0.61270 0.92124 0.51310 0.08044  -0.02208 0.03946  331 SER A N    
99   C  CA   . SER A 12  ? 0.63225 0.92759 0.53889 0.05116  -0.03996 0.06475  331 SER A CA   
100  C  C    . SER A 12  ? 0.62181 0.79080 0.47578 0.02849  -0.06051 0.06650  331 SER A C    
101  O  O    . SER A 12  ? 0.70433 0.79752 0.52487 0.05351  -0.07429 0.04871  331 SER A O    
102  C  CB   . SER A 12  ? 0.62581 0.98208 0.56705 0.09437  -0.06019 0.06853  331 SER A CB   
103  O  OG   . SER A 12  ? 0.91456 1.26262 0.85809 0.05830  -0.07951 0.09528  331 SER A OG   
104  H  H    . SER A 12  ? 0.82496 0.82496 0.82496 -0.00000 0.00000  0.00000  331 SER A H    
105  H  HA   . SER A 12  ? 0.84563 0.84563 0.84563 0.00000  0.00000  -0.00000 331 SER A HA   
106  H  HB2  . SER A 12  ? 0.87612 0.87612 0.87612 0.00000  -0.00000 -0.00000 331 SER A HB2  
107  H  HB3  . SER A 12  ? 0.87612 0.87612 0.87612 0.00000  -0.00000 -0.00000 331 SER A HB3  
108  H  HG   . SER A 12  ? 1.22025 1.22025 1.22025 0.00000  0.00000  0.00000  331 SER A HG   
109  N  N    . LEU A 13  ? 0.61979 0.76549 0.46216 -0.02254 -0.06156 0.08719  332 LEU A N    
110  C  CA   . LEU A 13  ? 0.62815 0.67310 0.42171 -0.04632 -0.08203 0.09477  332 LEU A CA   
111  C  C    . LEU A 13  ? 0.65705 0.71612 0.44972 -0.08260 -0.09141 0.11796  332 LEU A C    
112  O  O    . LEU A 13  ? 0.63949 0.71325 0.43218 -0.12452 -0.07159 0.12320  332 LEU A O    
113  C  CB   . LEU A 13  ? 0.67580 0.66360 0.43764 -0.08174 -0.06406 0.08796  332 LEU A CB   
114  C  CG   . LEU A 13  ? 0.70413 0.59965 0.41457 -0.11461 -0.08046 0.09847  332 LEU A CG   
115  C  CD1  . LEU A 13  ? 0.74680 0.57180 0.42953 -0.08353 -0.11332 0.09577  332 LEU A CD1  
116  C  CD2  . LEU A 13  ? 0.73453 0.59967 0.42524 -0.15082 -0.05914 0.09265  332 LEU A CD2  
117  H  H    . LEU A 13  ? 0.74512 0.74512 0.74512 0.00000  0.00000  0.00000  332 LEU A H    
118  H  HA   . LEU A 13  ? 0.65847 0.65847 0.65847 0.00000  0.00000  0.00000  332 LEU A HA   
119  H  HB2  . LEU A 13  ? 0.71695 0.71695 0.71695 0.00000  0.00000  0.00000  332 LEU A HB2  
120  H  HB3  . LEU A 13  ? 0.71695 0.71695 0.71695 0.00000  0.00000  0.00000  332 LEU A HB3  
121  H  HG   . LEU A 13  ? 0.69348 0.69348 0.69348 0.00000  0.00000  -0.00000 332 LEU A HG   
122  H  HD11 . LEU A 13  ? 0.69462 0.69462 0.69462 0.00000  0.00000  -0.00000 332 LEU A HD11 
123  H  HD12 . LEU A 13  ? 0.69462 0.69462 0.69462 0.00000  0.00000  -0.00000 332 LEU A HD12 
124  H  HD13 . LEU A 13  ? 0.69462 0.69462 0.69462 0.00000  0.00000  -0.00000 332 LEU A HD13 
125  H  HD21 . LEU A 13  ? 0.70992 0.70992 0.70992 -0.00000 -0.00000 0.00000  332 LEU A HD21 
126  H  HD22 . LEU A 13  ? 0.70992 0.70992 0.70992 -0.00000 -0.00000 0.00000  332 LEU A HD22 
127  H  HD23 . LEU A 13  ? 0.70992 0.70992 0.70992 -0.00000 -0.00000 0.00000  332 LEU A HD23 
128  N  N    . ARG A 14  ? 0.78049 0.83530 0.57162 -0.06293 -0.12336 0.13012  333 ARG A N    
129  C  CA   . ARG A 14  ? 0.92967 0.99049 0.70948 -0.09742 -0.14030 0.15238  333 ARG A CA   
130  C  C    . ARG A 14  ? 0.85326 0.81610 0.56728 -0.13632 -0.15018 0.16205  333 ARG A C    
131  O  O    . ARG A 14  ? 0.92642 0.81687 0.60729 -0.11933 -0.17408 0.16646  333 ARG A O    
132  C  CB   . ARG A 14  ? 0.96905 1.07051 0.77435 -0.05736 -0.17518 0.16464  333 ARG A CB   
133  C  CG   . ARG A 14  ? 0.99010 1.21482 0.86624 -0.02414 -0.16502 0.15952  333 ARG A CG   
134  C  CD   . ARG A 14  ? 1.21021 1.51118 1.12076 -0.01609 -0.19542 0.18077  333 ARG A CD   
135  N  NE   . ARG A 14  ? 1.24790 1.52425 1.12487 -0.07682 -0.20786 0.19999  333 ARG A NE   
136  C  CZ   . ARG A 14  ? 1.18864 1.52282 1.08232 -0.12554 -0.19561 0.20650  333 ARG A CZ   
137  N  NH1  . ARG A 14  ? 1.10887 1.51811 1.04797 -0.13073 -0.16663 0.19948  333 ARG A NH1  
138  N  NH2  . ARG A 14  ? 1.04666 1.35678 0.90432 -0.17260 -0.21464 0.22078  333 ARG A NH2  
139  H  H    . ARG A 14  ? 0.88111 0.88111 0.88111 0.00000  -0.00000 -0.00000 333 ARG A H    
140  H  HA   . ARG A 14  ? 1.05800 1.05800 1.05800 -0.00000 0.00000  0.00000  333 ARG A HA   
141  H  HB2  . ARG A 14  ? 1.13171 1.13171 1.13171 0.00000  0.00000  0.00000  333 ARG A HB2  
142  H  HB3  . ARG A 14  ? 1.13171 1.13171 1.13171 0.00000  0.00000  0.00000  333 ARG A HB3  
143  H  HG2  . ARG A 14  ? 1.23461 1.23461 1.23461 0.00000  0.00000  0.00000  333 ARG A HG2  
144  H  HG3  . ARG A 14  ? 1.23461 1.23461 1.23461 0.00000  0.00000  0.00000  333 ARG A HG3  
145  H  HD2  . ARG A 14  ? 1.54300 1.54300 1.54300 -0.00000 -0.00000 -0.00000 333 ARG A HD2  
146  H  HD3  . ARG A 14  ? 1.54300 1.54300 1.54300 -0.00000 -0.00000 -0.00000 333 ARG A HD3  
147  H  HE   . ARG A 14  ? 1.56495 1.56495 1.56495 0.00000  -0.00000 -0.00000 333 ARG A HE   
148  H  HH11 . ARG A 14  ? 1.47612 1.47612 1.47612 0.00000  -0.00000 0.00000  333 ARG A HH11 
149  H  HH12 . ARG A 14  ? 1.47612 1.47612 1.47612 0.00000  -0.00000 0.00000  333 ARG A HH12 
150  H  HH21 . ARG A 14  ? 1.32924 1.32924 1.32924 -0.00000 -0.00000 0.00000  333 ARG A HH21 
151  H  HH22 . ARG A 14  ? 1.32924 1.32924 1.32924 -0.00000 -0.00000 0.00000  333 ARG A HH22 
152  N  N    . VAL A 15  ? 0.70195 0.66160 0.39530 -0.18784 -0.13069 0.16435  334 VAL A N    
153  C  CA   . VAL A 15  ? 0.77399 0.66075 0.40564 -0.22850 -0.13232 0.17212  334 VAL A CA   
154  C  C    . VAL A 15  ? 0.78502 0.67146 0.38480 -0.25708 -0.15575 0.19145  334 VAL A C    
155  O  O    . VAL A 15  ? 0.88482 0.82419 0.50145 -0.27552 -0.15138 0.19079  334 VAL A O    
156  C  CB   . VAL A 15  ? 0.71545 0.60238 0.34278 -0.25988 -0.09282 0.15688  334 VAL A CB   
157  C  CG1  . VAL A 15  ? 0.84847 0.69524 0.44448 -0.29143 -0.08636 0.14866  334 VAL A CG1  
158  C  CG2  . VAL A 15  ? 0.81250 0.69339 0.46122 -0.23624 -0.07567 0.14124  334 VAL A CG2  
159  H  H    . VAL A 15  ? 0.69341 0.69341 0.69341 -0.00000 -0.00000 0.00000  334 VAL A H    
160  H  HA   . VAL A 15  ? 0.74229 0.74229 0.74229 -0.00000 0.00000  0.00000  334 VAL A HA   
161  H  HB   . VAL A 15  ? 0.67038 0.67038 0.67038 0.00000  -0.00000 0.00000  334 VAL A HB   
162  H  HG11 . VAL A 15  ? 0.80142 0.80142 0.80142 -0.00000 0.00000  -0.00000 334 VAL A HG11 
163  H  HG12 . VAL A 15  ? 0.80142 0.80142 0.80142 -0.00000 0.00000  -0.00000 334 VAL A HG12 
164  H  HG13 . VAL A 15  ? 0.80142 0.80142 0.80142 -0.00000 0.00000  -0.00000 334 VAL A HG13 
165  H  HG21 . VAL A 15  ? 0.79299 0.79299 0.79299 -0.00000 -0.00000 -0.00000 334 VAL A HG21 
166  H  HG22 . VAL A 15  ? 0.79299 0.79299 0.79299 -0.00000 -0.00000 -0.00000 334 VAL A HG22 
167  H  HG23 . VAL A 15  ? 0.79299 0.79299 0.79299 -0.00000 -0.00000 -0.00000 334 VAL A HG23 
168  N  N    . ASN A 16  ? 0.85799 0.67981 0.40672 -0.26393 -0.18339 0.21005  335 ASN A N    
169  C  CA   . ASN A 16  ? 0.98704 0.80520 0.51328 -0.28839 -0.20117 0.22035  335 ASN A CA   
170  C  C    . ASN A 16  ? 0.90776 0.69745 0.41077 -0.32744 -0.17294 0.20107  335 ASN A C    
171  O  O    . ASN A 16  ? 0.92665 0.67173 0.41377 -0.33051 -0.16550 0.19651  335 ASN A O    
172  C  CB   . ASN A 16  ? 0.97974 0.75733 0.48475 -0.26324 -0.24732 0.24678  335 ASN A CB   
173  C  CG   . ASN A 16  ? 1.14530 0.92141 0.62482 -0.29221 -0.26333 0.25794  335 ASN A CG   
174  O  OD1  . ASN A 16  ? 1.13220 0.87268 0.57752 -0.32839 -0.24890 0.25161  335 ASN A OD1  
175  N  ND2  . ASN A 16  ? 1.10089 0.92714 0.59925 -0.27804 -0.29390 0.27351  335 ASN A ND2  
176  H  H    . ASN A 16  ? 0.74710 0.74710 0.74710 0.00000  0.00000  0.00000  335 ASN A H    
177  H  HA   . ASN A 16  ? 0.92835 0.92835 0.92835 -0.00000 0.00000  0.00000  335 ASN A HA   
178  H  HB2  . ASN A 16  ? 0.85802 0.85802 0.85802 -0.00000 0.00000  -0.00000 335 ASN A HB2  
179  H  HB3  . ASN A 16  ? 0.85802 0.85802 0.85802 -0.00000 0.00000  -0.00000 335 ASN A HB3  
180  H  HD21 . ASN A 16  ? 1.05705 1.05705 1.05705 0.00000  0.00000  -0.00000 335 ASN A HD21 
181  H  HD22 . ASN A 16  ? 1.05705 1.05705 1.05705 0.00000  0.00000  -0.00000 335 ASN A HD22 
182  N  N    . PHE A 17  ? 0.99433 0.81493 0.49535 -0.35589 -0.16106 0.18836  336 PHE A N    
183  C  CA   . PHE A 17  ? 0.92452 0.73559 0.40890 -0.38241 -0.13345 0.16311  336 PHE A CA   
184  C  C    . PHE A 17  ? 0.97236 0.74418 0.41344 -0.40092 -0.14764 0.17506  336 PHE A C    
185  O  O    . PHE A 17  ? 1.03853 0.80089 0.46732 -0.41373 -0.12800 0.16052  336 PHE A O    
186  C  CB   . PHE A 17  ? 1.03172 0.87178 0.51378 -0.40545 -0.12108 0.14500  336 PHE A CB   
187  C  CG   . PHE A 17  ? 0.82292 0.69424 0.34278 -0.39427 -0.10019 0.12722  336 PHE A CG   
188  C  CD1  . PHE A 17  ? 0.99880 0.86902 0.53904 -0.37800 -0.07020 0.10451  336 PHE A CD1  
189  C  CD2  . PHE A 17  ? 0.85809 0.76407 0.39435 -0.40043 -0.11262 0.13612  336 PHE A CD2  
190  C  CE1  . PHE A 17  ? 0.88533 0.78000 0.45981 -0.36442 -0.05293 0.09141  336 PHE A CE1  
191  C  CE2  . PHE A 17  ? 0.82934 0.76303 0.39991 -0.39259 -0.09460 0.12329  336 PHE A CE2  
192  C  CZ   . PHE A 17  ? 0.73375 0.65647 0.32102 -0.37309 -0.06476 0.10044  336 PHE A CZ   
193  H  H    . PHE A 17  ? 0.92799 0.92799 0.92799 -0.00000 -0.00000 -0.00000 336 PHE A H    
194  H  HA   . PHE A 17  ? 0.83375 0.83375 0.83375 -0.00000 0.00000  0.00000  336 PHE A HA   
195  H  HB2  . PHE A 17  ? 0.97305 0.97305 0.97305 -0.00000 0.00000  0.00000  336 PHE A HB2  
196  H  HB3  . PHE A 17  ? 0.97305 0.97305 0.97305 -0.00000 0.00000  0.00000  336 PHE A HB3  
197  H  HD1  . PHE A 17  ? 0.96889 0.96889 0.96889 -0.00000 -0.00000 0.00000  336 PHE A HD1  
198  H  HD2  . PHE A 17  ? 0.81275 0.81275 0.81275 0.00000  0.00000  -0.00000 336 PHE A HD2  
199  H  HE1  . PHE A 17  ? 0.85620 0.85620 0.85620 -0.00000 0.00000  0.00000  336 PHE A HE1  
200  H  HE2  . PHE A 17  ? 0.80305 0.80305 0.80305 0.00000  0.00000  -0.00000 336 PHE A HE2  
201  H  HZ   . PHE A 17  ? 0.69064 0.69064 0.69064 0.00000  0.00000  -0.00000 336 PHE A HZ   
202  N  N    . GLU A 18  ? 1.05185 0.80593 0.47188 -0.39962 -0.18378 0.20404  337 GLU A N    
203  C  CA   . GLU A 18  ? 1.14076 0.85333 0.51783 -0.41736 -0.20142 0.22086  337 GLU A CA   
204  C  C    . GLU A 18  ? 1.12018 0.78660 0.49333 -0.40666 -0.20241 0.22558  337 GLU A C    
205  O  O    . GLU A 18  ? 1.15391 0.80327 0.50158 -0.43147 -0.19347 0.22240  337 GLU A O    
206  C  CB   . GLU A 18  ? 1.16792 0.87157 0.52741 -0.41093 -0.24379 0.25231  337 GLU A CB   
207  C  CG   . GLU A 18  ? 1.29209 0.94956 0.60292 -0.43267 -0.26280 0.27236  337 GLU A CG   
208  C  CD   . GLU A 18  ? 1.45825 1.11277 0.74748 -0.43042 -0.30379 0.30232  337 GLU A CD   
209  O  OE1  . GLU A 18  ? 1.48193 1.18552 0.78385 -0.43298 -0.30790 0.29912  337 GLU A OE1  
210  O  OE2  . GLU A 18  ? 1.64932 1.25255 0.90793 -0.42824 -0.33323 0.32920  337 GLU A OE2  
211  H  H    . GLU A 18  ? 0.93800 0.93800 0.93800 -0.00000 0.00000  -0.00000 337 GLU A H    
212  H  HA   . GLU A 18  ? 1.01091 1.01091 1.01091 0.00000  -0.00000 0.00000  337 GLU A HA   
213  H  HB2  . GLU A 18  ? 0.99605 0.99605 0.99605 -0.00000 -0.00000 -0.00000 337 GLU A HB2  
214  H  HB3  . GLU A 18  ? 0.99605 0.99605 0.99605 -0.00000 -0.00000 -0.00000 337 GLU A HB3  
215  H  HG2  . GLU A 18  ? 1.14397 1.14397 1.14397 0.00000  0.00000  0.00000  337 GLU A HG2  
216  H  HG3  . GLU A 18  ? 1.14397 1.14397 1.14397 0.00000  0.00000  0.00000  337 GLU A HG3  
217  N  N    . ASP A 19  ? 1.22919 0.87825 0.62570 -0.37091 -0.21381 0.23272  338 ASP A N    
218  C  CA   . ASP A 19  ? 1.28276 0.87862 0.67286 -0.36031 -0.21796 0.23512  338 ASP A CA   
219  C  C    . ASP A 19  ? 1.14549 0.76032 0.54276 -0.38275 -0.18100 0.20921  338 ASP A C    
220  O  O    . ASP A 19  ? 1.12692 0.70265 0.50455 -0.39445 -0.18627 0.21341  338 ASP A O    
221  C  CB   . ASP A 19  ? 1.16452 0.74932 0.57997 -0.31535 -0.22896 0.23824  338 ASP A CB   
222  C  CG   . ASP A 19  ? 1.30104 0.85165 0.70741 -0.27590 -0.27810 0.26620  338 ASP A CG   
223  O  OD1  . ASP A 19  ? 1.32429 0.84544 0.70237 -0.28633 -0.30433 0.28595  338 ASP A OD1  
224  O  OD2  . ASP A 19  ? 1.27364 0.83548 0.70455 -0.23003 -0.29127 0.26675  338 ASP A OD2  
225  H  H    . ASP A 19  ? 1.09940 1.09940 1.09940 0.00000  0.00000  0.00000  338 ASP A H    
226  H  HA   . ASP A 19  ? 1.13984 1.13984 1.13984 0.00000  -0.00000 0.00000  338 ASP A HA   
227  H  HB2  . ASP A 19  ? 1.00367 1.00367 1.00367 0.00000  -0.00000 -0.00000 338 ASP A HB2  
228  H  HB3  . ASP A 19  ? 1.00367 1.00367 1.00367 0.00000  -0.00000 -0.00000 338 ASP A HB3  
229  N  N    . ILE A 20  ? 1.01750 0.69229 0.44294 -0.38659 -0.14679 0.18317  339 ILE A N    
230  C  CA   . ILE A 20  ? 1.15295 0.85489 0.59354 -0.39478 -0.11367 0.15869  339 ILE A CA   
231  C  C    . ILE A 20  ? 1.09898 0.83074 0.52141 -0.42250 -0.09592 0.14676  339 ILE A C    
232  O  O    . ILE A 20  ? 1.09189 0.85802 0.53199 -0.42321 -0.06610 0.12503  339 ILE A O    
233  C  CB   . ILE A 20  ? 0.96916 0.70840 0.45706 -0.36926 -0.08850 0.13765  339 ILE A CB   
234  C  CG1  . ILE A 20  ? 0.94222 0.72127 0.44708 -0.36622 -0.07736 0.12588  339 ILE A CG1  
235  C  CG2  . ILE A 20  ? 1.14903 0.85902 0.64774 -0.34447 -0.10399 0.14987  339 ILE A CG2  
236  C  CD1  . ILE A 20  ? 0.93986 0.75565 0.48782 -0.34645 -0.04946 0.10374  339 ILE A CD1  
237  H  H    . ILE A 20  ? 0.86723 0.86723 0.86723 0.00000  -0.00000 -0.00000 339 ILE A H    
238  H  HA   . ILE A 20  ? 1.04669 1.04669 1.04669 -0.00000 0.00000  -0.00000 339 ILE A HA   
239  H  HB   . ILE A 20  ? 0.85999 0.85999 0.85999 0.00000  -0.00000 0.00000  339 ILE A HB   
240  H  HG12 . ILE A 20  ? 0.85037 0.85037 0.85037 0.00000  0.00000  -0.00000 339 ILE A HG12 
241  H  HG13 . ILE A 20  ? 0.85037 0.85037 0.85037 0.00000  0.00000  -0.00000 339 ILE A HG13 
242  H  HG21 . ILE A 20  ? 1.06846 1.06846 1.06846 -0.00000 -0.00000 -0.00000 339 ILE A HG21 
243  H  HG22 . ILE A 20  ? 1.06846 1.06846 1.06846 -0.00000 -0.00000 -0.00000 339 ILE A HG22 
244  H  HG23 . ILE A 20  ? 1.06846 1.06846 1.06846 -0.00000 -0.00000 -0.00000 339 ILE A HG23 
245  H  HD11 . ILE A 20  ? 0.87947 0.87947 0.87947 -0.00000 0.00000  0.00000  339 ILE A HD11 
246  H  HD12 . ILE A 20  ? 0.87947 0.87947 0.87947 -0.00000 0.00000  0.00000  339 ILE A HD12 
247  H  HD13 . ILE A 20  ? 0.87947 0.87947 0.87947 -0.00000 0.00000  0.00000  339 ILE A HD13 
248  N  N    . GLY A 21  ? 1.24361 0.96192 0.62913 -0.44419 -0.11442 0.16215  340 GLY A N    
249  C  CA   . GLY A 21  ? 1.13225 0.87342 0.49073 -0.47386 -0.09814 0.15285  340 GLY A CA   
250  C  C    . GLY A 21  ? 1.20736 0.98829 0.58155 -0.47119 -0.06973 0.12429  340 GLY A C    
251  O  O    . GLY A 21  ? 1.20193 1.00647 0.56591 -0.48563 -0.04393 0.10814  340 GLY A O    
252  H  H    . GLY A 21  ? 1.14000 1.14000 1.14000 0.00000  -0.00000 0.00000  340 GLY A H    
253  H  HA2  . GLY A 21  ? 1.00471 1.00471 1.00471 0.00000  0.00000  0.00000  340 GLY A HA2  
254  H  HA3  . GLY A 21  ? 1.00471 1.00471 1.00471 0.00000  0.00000  0.00000  340 GLY A HA3  
255  N  N    . TRP A 22  ? 1.03245 0.81985 0.42908 -0.45417 -0.07439 0.11926  341 TRP A N    
256  C  CA   . TRP A 22  ? 0.96316 0.77463 0.36892 -0.45457 -0.05288 0.09422  341 TRP A CA   
257  C  C    . TRP A 22  ? 1.05585 0.86413 0.43319 -0.47601 -0.07011 0.10043  341 TRP A C    
258  O  O    . TRP A 22  ? 1.00366 0.82043 0.37353 -0.48625 -0.05453 0.08028  341 TRP A O    
259  C  CB   . TRP A 22  ? 1.00194 0.82768 0.45724 -0.42257 -0.04248 0.08315  341 TRP A CB   
260  C  CG   . TRP A 22  ? 0.89004 0.72932 0.37264 -0.40538 -0.01582 0.06790  341 TRP A CG   
261  C  CD1  . TRP A 22  ? 1.13584 0.97644 0.60998 -0.41344 -0.00760 0.06995  341 TRP A CD1  
262  C  CD2  . TRP A 22  ? 0.79028 0.64789 0.31143 -0.38156 0.00501  0.05095  341 TRP A CD2  
263  N  NE1  . TRP A 22  ? 0.82526 0.68822 0.33434 -0.39490 0.01630  0.05573  341 TRP A NE1  
264  C  CE2  . TRP A 22  ? 0.83420 0.70549 0.37246 -0.37344 0.02427  0.04418  341 TRP A CE2  
265  C  CE3  . TRP A 22  ? 0.81571 0.68119 0.35991 -0.36750 0.00704  0.04464  341 TRP A CE3  
266  C  CZ2  . TRP A 22  ? 0.78178 0.67253 0.36014 -0.34943 0.04413  0.03214  341 TRP A CZ2  
267  C  CZ3  . TRP A 22  ? 0.87871 0.75914 0.45949 -0.34436 0.02827  0.03209  341 TRP A CZ3  
268  C  CH2  . TRP A 22  ? 0.85827 0.75046 0.45647 -0.33423 0.04579  0.02648  341 TRP A CH2  
269  H  H    . TRP A 22  ? 0.91869 0.91869 0.91869 -0.00000 -0.00000 -0.00000 341 TRP A H    
270  H  HA   . TRP A 22  ? 0.81198 0.81198 0.81198 -0.00000 0.00000  0.00000  341 TRP A HA   
271  H  HB2  . TRP A 22  ? 0.92088 0.92088 0.92088 -0.00000 -0.00000 0.00000  341 TRP A HB2  
272  H  HB3  . TRP A 22  ? 0.92088 0.92088 0.92088 -0.00000 -0.00000 0.00000  341 TRP A HB3  
273  H  HD1  . TRP A 22  ? 1.09504 1.09504 1.09504 0.00000  0.00000  -0.00000 341 TRP A HD1  
274  H  HE1  . TRP A 22  ? 0.74527 0.74527 0.74527 0.00000  -0.00000 -0.00000 341 TRP A HE1  
275  H  HE3  . TRP A 22  ? 0.74886 0.74886 0.74886 -0.00000 -0.00000 -0.00000 341 TRP A HE3  
276  H  HZ2  . TRP A 22  ? 0.73192 0.73192 0.73192 -0.00000 0.00000  -0.00000 341 TRP A HZ2  
277  H  HZ3  . TRP A 22  ? 0.84508 0.84508 0.84508 0.00000  -0.00000 -0.00000 341 TRP A HZ3  
278  H  HH2  . TRP A 22  ? 0.83222 0.83222 0.83222 0.00000  0.00000  0.00000  341 TRP A HH2  
279  N  N    . ASP A 23  ? 1.04579 0.83817 0.40531 -0.48270 -0.10363 0.12991  342 ASP A N    
280  C  CA   . ASP A 23  ? 1.19498 0.98992 0.52898 -0.50257 -0.12502 0.14160  342 ASP A CA   
281  C  C    . ASP A 23  ? 1.28166 1.07437 0.56423 -0.53683 -0.11381 0.13199  342 ASP A C    
282  O  O    . ASP A 23  ? 1.26999 1.06597 0.52638 -0.55637 -0.12699 0.13624  342 ASP A O    
283  C  CB   . ASP A 23  ? 1.26570 1.04521 0.59503 -0.49338 -0.16589 0.17917  342 ASP A CB   
284  C  CG   . ASP A 23  ? 1.48663 1.23492 0.77725 -0.50745 -0.17694 0.19704  342 ASP A CG   
285  O  OD1  . ASP A 23  ? 1.37991 1.11624 0.67460 -0.50447 -0.15992 0.18962  342 ASP A OD1  
286  O  OD2  . ASP A 23  ? 1.72339 1.46206 0.97835 -0.52393 -0.20361 0.21957  342 ASP A OD2  
287  H  H    . ASP A 23  ? 0.91837 0.91837 0.91837 -0.00000 0.00000  -0.00000 342 ASP A H    
288  H  HA   . ASP A 23  ? 1.09169 1.09169 1.09169 0.00000  -0.00000 -0.00000 342 ASP A HA   
289  H  HB2  . ASP A 23  ? 1.16852 1.16852 1.16852 0.00000  0.00000  0.00000  342 ASP A HB2  
290  H  HB3  . ASP A 23  ? 1.16852 1.16852 1.16852 0.00000  0.00000  0.00000  342 ASP A HB3  
291  N  N    . SER A 24  ? 1.41457 1.20720 0.68167 -0.54433 -0.08950 0.12023  343 SER A N    
292  C  CA   . SER A 24  ? 1.60343 1.40359 0.82305 -0.57285 -0.07056 0.10634  343 SER A CA   
293  C  C    . SER A 24  ? 1.54446 1.35225 0.76436 -0.57282 -0.04390 0.07359  343 SER A C    
294  O  O    . SER A 24  ? 1.47824 1.28518 0.65151 -0.59546 -0.03654 0.06306  343 SER A O    
295  C  CB   . SER A 24  ? 1.64820 1.45931 0.85314 -0.58140 -0.04897 0.10395  343 SER A CB   
296  O  OG   . SER A 24  ? 1.52913 1.35910 0.77209 -0.56031 -0.01734 0.08187  343 SER A OG   
297  H  H    . SER A 24  ? 1.32752 1.32752 1.32752 -0.00000 0.00000  0.00000  343 SER A H    
298  H  HA   . SER A 24  ? 1.53817 1.53817 1.53817 -0.00000 -0.00000 -0.00000 343 SER A HA   
299  H  HB2  . SER A 24  ? 1.59040 1.59040 1.59040 -0.00000 -0.00000 0.00000  343 SER A HB2  
300  H  HB3  . SER A 24  ? 1.59040 1.59040 1.59040 -0.00000 -0.00000 0.00000  343 SER A HB3  
301  H  HG   . SER A 24  ? 1.47027 1.47027 1.47027 -0.00000 0.00000  0.00000  343 SER A HG   
302  N  N    . TRP A 25  ? 1.18111 0.99214 0.44669 -0.54787 -0.02949 0.05736  344 TRP A N    
303  C  CA   . TRP A 25  ? 1.14912 0.95501 0.40686 -0.55018 -0.00622 0.02883  344 TRP A CA   
304  C  C    . TRP A 25  ? 1.24168 1.04078 0.52707 -0.54460 -0.02229 0.03223  344 TRP A C    
305  O  O    . TRP A 25  ? 1.26482 1.04927 0.52404 -0.56118 -0.01823 0.01993  344 TRP A O    
306  C  CB   . TRP A 25  ? 1.13269 0.94820 0.40130 -0.53326 0.03535  0.00040  344 TRP A CB   
307  C  CG   . TRP A 25  ? 1.22528 1.05296 0.55219 -0.50148 0.04260  0.00066  344 TRP A CG   
308  C  CD1  . TRP A 25  ? 1.36182 1.20297 0.71639 -0.48827 0.03303  0.01841  344 TRP A CD1  
309  C  CD2  . TRP A 25  ? 1.11554 0.94000 0.47386 -0.47961 0.06115  -0.01733 344 TRP A CD2  
310  N  NE1  . TRP A 25  ? 1.46075 1.31200 0.86442 -0.45775 0.04427  0.01202  344 TRP A NE1  
311  C  CE2  . TRP A 25  ? 1.28783 1.13152 0.69673 -0.45100 0.06130  -0.00862 344 TRP A CE2  
312  C  CE3  . TRP A 25  ? 1.14812 0.94971 0.49108 -0.48262 0.07702  -0.03878 344 TRP A CE3  
313  C  CZ2  . TRP A 25  ? 1.19534 1.04372 0.64444 -0.42387 0.07600  -0.01860 344 TRP A CZ2  
314  C  CZ3  . TRP A 25  ? 1.23235 1.03119 0.61129 -0.45850 0.09154  -0.04846 344 TRP A CZ3  
315  C  CH2  . TRP A 25  ? 1.21459 1.04103 0.64877 -0.42822 0.09078  -0.03747 344 TRP A CH2  
316  H  H    . TRP A 25  ? 1.05412 1.05412 1.05412 -0.00000 -0.00000 -0.00000 344 TRP A H    
317  H  HA   . TRP A 25  ? 0.98689 0.98689 0.98689 -0.00000 0.00000  0.00000  344 TRP A HA   
318  H  HB2  . TRP A 25  ? 0.98356 0.98356 0.98356 -0.00000 -0.00000 0.00000  344 TRP A HB2  
319  H  HB3  . TRP A 25  ? 0.98356 0.98356 0.98356 -0.00000 -0.00000 0.00000  344 TRP A HB3  
320  H  HD1  . TRP A 25  ? 1.31861 1.31861 1.31861 0.00000  0.00000  -0.00000 344 TRP A HD1  
321  H  HE1  . TRP A 25  ? 1.46101 1.46101 1.46101 0.00000  0.00000  0.00000  344 TRP A HE1  
322  H  HE3  . TRP A 25  ? 1.04171 1.04171 1.04171 -0.00000 0.00000  0.00000  344 TRP A HE3  
323  H  HZ2  . TRP A 25  ? 1.15954 1.15954 1.15954 -0.00000 0.00000  -0.00000 344 TRP A HZ2  
324  H  HZ3  . TRP A 25  ? 1.15607 1.15607 1.15607 0.00000  0.00000  -0.00000 344 TRP A HZ3  
325  H  HH2  . TRP A 25  ? 1.16790 1.16790 1.16790 0.00000  -0.00000 -0.00000 344 TRP A HH2  
326  N  N    . ILE A 26  ? 1.10468 0.91543 0.43623 -0.52308 -0.04192 0.05056  345 ILE A N    
327  C  CA   . ILE A 26  ? 1.04651 0.86580 0.40300 -0.52179 -0.06183 0.06080  345 ILE A CA   
328  C  C    . ILE A 26  ? 1.07715 0.90667 0.42139 -0.53716 -0.09901 0.09120  345 ILE A C    
329  O  O    . ILE A 26  ? 1.16606 1.00096 0.51962 -0.52386 -0.12047 0.11526  345 ILE A O    
330  C  CB   . ILE A 26  ? 1.01580 0.85297 0.42761 -0.48542 -0.06206 0.06477  345 ILE A CB   
331  C  CG1  . ILE A 26  ? 0.90445 0.73642 0.33114 -0.46721 -0.02761 0.03631  345 ILE A CG1  
332  C  CG2  . ILE A 26  ? 1.05303 0.91538 0.49257 -0.48504 -0.08618 0.08287  345 ILE A CG2  
333  C  CD1  . ILE A 26  ? 1.16109 1.01305 0.64134 -0.42797 -0.02390 0.04123  345 ILE A CD1  
334  H  H    . ILE A 26  ? 0.98868 0.98868 0.98868 0.00000  0.00000  0.00000  345 ILE A H    
335  H  HA   . ILE A 26  ? 0.93226 0.93226 0.93226 -0.00000 0.00000  -0.00000 345 ILE A HA   
336  H  HB   . ILE A 26  ? 0.92469 0.92469 0.92469 0.00000  0.00000  0.00000  345 ILE A HB   
337  H  HG12 . ILE A 26  ? 0.79366 0.79366 0.79366 0.00000  -0.00000 -0.00000 345 ILE A HG12 
338  H  HG13 . ILE A 26  ? 0.79366 0.79366 0.79366 0.00000  -0.00000 -0.00000 345 ILE A HG13 
339  H  HG21 . ILE A 26  ? 0.99053 0.99053 0.99053 -0.00000 -0.00000 -0.00000 345 ILE A HG21 
340  H  HG22 . ILE A 26  ? 0.99053 0.99053 0.99053 -0.00000 -0.00000 -0.00000 345 ILE A HG22 
341  H  HG23 . ILE A 26  ? 0.99053 0.99053 0.99053 -0.00000 -0.00000 -0.00000 345 ILE A HG23 
342  H  HD11 . ILE A 26  ? 1.13234 1.13234 1.13234 0.00000  0.00000  -0.00000 345 ILE A HD11 
343  H  HD12 . ILE A 26  ? 1.13234 1.13234 1.13234 0.00000  0.00000  -0.00000 345 ILE A HD12 
344  H  HD13 . ILE A 26  ? 1.13234 1.13234 1.13234 0.00000  0.00000  -0.00000 345 ILE A HD13 
345  N  N    . ILE A 27  ? 1.11645 0.94630 0.43907 -0.56233 -0.10646 0.09049  346 ILE A N    
346  C  CA   . ILE A 27  ? 1.18301 1.03029 0.49166 -0.57761 -0.14228 0.11612  346 ILE A CA   
347  C  C    . ILE A 27  ? 1.15640 1.04563 0.51863 -0.56179 -0.16695 0.13872  346 ILE A C    
348  O  O    . ILE A 27  ? 1.18260 1.09999 0.55867 -0.55253 -0.20090 0.16617  346 ILE A O    
349  C  CB   . ILE A 27  ? 1.20857 1.04095 0.46735 -0.61059 -0.13996 0.10156  346 ILE A CB   
350  C  CG1  . ILE A 27  ? 1.33415 1.13060 0.54070 -0.62129 -0.10683 0.07029  346 ILE A CG1  
351  C  CG2  . ILE A 27  ? 1.35358 1.20827 0.59448 -0.62813 -0.17997 0.12535  346 ILE A CG2  
352  C  CD1  . ILE A 27  ? 1.36772 1.13959 0.52641 -0.64471 -0.10135 0.04652  346 ILE A CD1  
353  H  H    . ILE A 27  ? 1.00687 1.00687 1.00687 0.00000  0.00000  0.00000  346 ILE A H    
354  H  HA   . ILE A 27  ? 1.08813 1.08813 1.08813 0.00000  0.00000  -0.00000 346 ILE A HA   
355  H  HB   . ILE A 27  ? 1.08185 1.08185 1.08185 0.00000  -0.00000 -0.00000 346 ILE A HB   
356  H  HG12 . ILE A 27  ? 1.20832 1.20832 1.20832 0.00000  0.00000  -0.00000 346 ILE A HG12 
357  H  HG13 . ILE A 27  ? 1.20832 1.20832 1.20832 0.00000  0.00000  -0.00000 346 ILE A HG13 
358  H  HG21 . ILE A 27  ? 1.26868 1.26868 1.26868 0.00000  0.00000  -0.00000 346 ILE A HG21 
359  H  HG22 . ILE A 27  ? 1.26868 1.26868 1.26868 0.00000  0.00000  -0.00000 346 ILE A HG22 
360  H  HG23 . ILE A 27  ? 1.26868 1.26868 1.26868 0.00000  0.00000  -0.00000 346 ILE A HG23 
361  H  HD11 . ILE A 27  ? 1.21963 1.21963 1.21963 -0.00000 -0.00000 -0.00000 346 ILE A HD11 
362  H  HD12 . ILE A 27  ? 1.21963 1.21963 1.21963 -0.00000 -0.00000 -0.00000 346 ILE A HD12 
363  H  HD13 . ILE A 27  ? 1.21963 1.21963 1.21963 -0.00000 -0.00000 -0.00000 346 ILE A HD13 
364  N  N    . ALA A 28  ? 1.04244 0.94003 0.43206 -0.55946 -0.15079 0.12787  347 ALA A N    
365  C  CA   . ALA A 28  ? 0.99457 0.94541 0.43843 -0.54595 -0.16958 0.14789  347 ALA A CA   
366  C  C    . ALA A 28  ? 0.98848 0.94109 0.46290 -0.53401 -0.14363 0.13559  347 ALA A C    
367  O  O    . ALA A 28  ? 1.02688 0.93983 0.47624 -0.53090 -0.11432 0.10712  347 ALA A O    
368  C  CB   . ALA A 28  ? 1.03633 1.01678 0.47628 -0.57116 -0.19269 0.15803  347 ALA A CB   
369  H  H    . ALA A 28  ? 0.94518 0.94518 0.94518 -0.00000 -0.00000 0.00000  347 ALA A H    
370  H  HA   . ALA A 28  ? 0.95538 0.95538 0.95538 -0.00000 0.00000  0.00000  347 ALA A HA   
371  H  HB1  . ALA A 28  ? 1.01681 1.01681 1.01681 -0.00000 -0.00000 0.00000  347 ALA A HB1  
372  H  HB2  . ALA A 28  ? 1.01681 1.01681 1.01681 -0.00000 -0.00000 0.00000  347 ALA A HB2  
373  H  HB3  . ALA A 28  ? 1.01681 1.01681 1.01681 -0.00000 -0.00000 0.00000  347 ALA A HB3  
374  N  N    . PRO A 29  ? 0.92260 0.92770 0.45365 -0.50751 -0.15489 0.15195  348 PRO A N    
375  C  CA   . PRO A 29  ? 0.94079 0.99757 0.50389 -0.48358 -0.18877 0.17988  348 PRO A CA   
376  C  C    . PRO A 29  ? 0.88071 0.90137 0.42700 -0.45463 -0.19220 0.18524  348 PRO A C    
377  O  O    . PRO A 29  ? 0.99298 0.96229 0.51495 -0.45344 -0.16637 0.16629  348 PRO A O    
378  C  CB   . PRO A 29  ? 0.80558 0.92880 0.43045 -0.46024 -0.18959 0.19003  348 PRO A CB   
379  C  CG   . PRO A 29  ? 0.78106 0.85948 0.39714 -0.45294 -0.14978 0.16863  348 PRO A CG   
380  C  CD   . PRO A 29  ? 0.84528 0.86516 0.40962 -0.48506 -0.13677 0.13885  348 PRO A CD   
381  H  HA   . PRO A 29  ? 0.98304 0.98304 0.98304 -0.00000 0.00000  0.00000  348 PRO A HA   
382  H  HB2  . PRO A 29  ? 0.86994 0.86994 0.86994 0.00000  0.00000  0.00000  348 PRO A HB2  
383  H  HB3  . PRO A 29  ? 0.86994 0.86994 0.86994 0.00000  0.00000  0.00000  348 PRO A HB3  
384  H  HG2  . PRO A 29  ? 0.82121 0.82121 0.82121 0.00000  -0.00000 -0.00000 348 PRO A HG2  
385  H  HG3  . PRO A 29  ? 0.82121 0.82121 0.82121 0.00000  -0.00000 -0.00000 348 PRO A HG3  
386  H  HD2  . PRO A 29  ? 0.85417 0.85417 0.85417 -0.00000 0.00000  0.00000  348 PRO A HD2  
387  H  HD3  . PRO A 29  ? 0.85417 0.85417 0.85417 -0.00000 0.00000  0.00000  348 PRO A HD3  
388  N  N    . LYS A 30  ? 0.89650 0.94749 0.46093 -0.42835 -0.22579 0.21085  349 LYS A N    
389  C  CA   . LYS A 30  ? 0.97838 0.98597 0.52342 -0.39975 -0.23575 0.22206  349 LYS A CA   
390  C  C    . LYS A 30  ? 0.87650 0.86810 0.43982 -0.36701 -0.21643 0.21702  349 LYS A C    
391  O  O    . LYS A 30  ? 0.89536 0.82723 0.43117 -0.36067 -0.20660 0.21357  349 LYS A O    
392  C  CB   . LYS A 30  ? 0.96014 1.00219 0.52311 -0.37132 -0.28136 0.25099  349 LYS A CB   
393  C  CG   . LYS A 30  ? 1.07639 1.13001 0.61581 -0.40272 -0.30353 0.25904  349 LYS A CG   
394  C  CD   . LYS A 30  ? 1.07521 1.05513 0.54629 -0.43437 -0.29109 0.25119  349 LYS A CD   
395  C  CE   . LYS A 30  ? 1.20661 1.19312 0.64665 -0.45704 -0.31981 0.26534  349 LYS A CE   
396  N  NZ   . LYS A 30  ? 1.25076 1.17445 0.62788 -0.48104 -0.30941 0.26177  349 LYS A NZ   
397  H  H    . LYS A 30  ? 0.89126 0.89126 0.89126 0.00000  0.00000  0.00000  349 LYS A H    
398  H  HA   . LYS A 30  ? 1.00125 1.00125 1.00125 -0.00000 -0.00000 -0.00000 349 LYS A HA   
399  H  HB2  . LYS A 30  ? 0.96347 0.96347 0.96347 0.00000  0.00000  0.00000  349 LYS A HB2  
400  H  HB3  . LYS A 30  ? 0.96347 0.96347 0.96347 0.00000  0.00000  0.00000  349 LYS A HB3  
401  H  HG2  . LYS A 30  ? 1.13503 1.13503 1.13503 0.00000  0.00000  0.00000  349 LYS A HG2  
402  H  HG3  . LYS A 30  ? 1.13503 1.13503 1.13503 0.00000  0.00000  0.00000  349 LYS A HG3  
403  H  HD2  . LYS A 30  ? 1.05030 1.05030 1.05030 -0.00000 0.00000  0.00000  349 LYS A HD2  
404  H  HD3  . LYS A 30  ? 1.05030 1.05030 1.05030 -0.00000 0.00000  0.00000  349 LYS A HD3  
405  H  HE2  . LYS A 30  ? 1.22469 1.22469 1.22469 0.00000  -0.00000 -0.00000 349 LYS A HE2  
406  H  HE3  . LYS A 30  ? 1.22469 1.22469 1.22469 0.00000  -0.00000 -0.00000 349 LYS A HE3  
407  H  HZ1  . LYS A 30  ? 1.22738 1.22738 1.22738 0.00000  -0.00000 -0.00000 349 LYS A HZ1  
408  H  HZ2  . LYS A 30  ? 1.22738 1.22738 1.22738 0.00000  -0.00000 -0.00000 349 LYS A HZ2  
409  H  HZ3  . LYS A 30  ? 1.22738 1.22738 1.22738 0.00000  -0.00000 -0.00000 349 LYS A HZ3  
410  N  N    . GLU A 31  ? 0.82284 0.87508 0.43406 -0.34836 -0.21395 0.21869  350 GLU A N    
411  C  CA   . GLU A 31  ? 0.80453 0.85905 0.44510 -0.30788 -0.20033 0.21568  350 GLU A CA   
412  C  C    . GLU A 31  ? 0.71453 0.82360 0.40891 -0.30823 -0.16895 0.19969  350 GLU A C    
413  O  O    . GLU A 31  ? 0.72358 0.89213 0.44464 -0.32872 -0.17631 0.20395  350 GLU A O    
414  C  CB   . GLU A 31  ? 0.85144 0.94748 0.53767 -0.25310 -0.23131 0.23020  350 GLU A CB   
415  C  CG   . GLU A 31  ? 1.08866 1.13998 0.73591 -0.23925 -0.27448 0.25366  350 GLU A CG   
416  C  CD   . GLU A 31  ? 1.24348 1.27663 0.91567 -0.17351 -0.29293 0.25700  350 GLU A CD   
417  O  OE1  . GLU A 31  ? 1.28458 1.38995 1.02435 -0.12969 -0.28497 0.24582  350 GLU A OE1  
418  O  OE2  . GLU A 31  ? 1.26776 1.21263 0.88866 -0.16625 -0.31564 0.27038  350 GLU A OE2  
419  H  H    . GLU A 31  ? 0.82208 0.82208 0.82208 -0.00000 0.00000  0.00000  350 GLU A H    
420  H  HA   . GLU A 31  ? 0.84962 0.84962 0.84962 0.00000  -0.00000 0.00000  350 GLU A HA   
421  H  HB2  . GLU A 31  ? 0.94078 0.94078 0.94078 0.00000  -0.00000 -0.00000 350 GLU A HB2  
422  H  HB3  . GLU A 31  ? 0.94078 0.94078 0.94078 0.00000  -0.00000 -0.00000 350 GLU A HB3  
423  H  HG2  . GLU A 31  ? 1.19196 1.19196 1.19196 0.00000  0.00000  -0.00000 350 GLU A HG2  
424  H  HG3  . GLU A 31  ? 1.19196 1.19196 1.19196 0.00000  0.00000  -0.00000 350 GLU A HG3  
425  N  N    . TYR A 32  ? 0.71521 0.80946 0.42734 -0.28647 -0.13887 0.18510  351 TYR A N    
426  C  CA   . TYR A 32  ? 0.61898 0.76798 0.38004 -0.28624 -0.11339 0.17632  351 TYR A CA   
427  C  C    . TYR A 32  ? 0.65301 0.81267 0.44539 -0.24192 -0.09659 0.16725  351 TYR A C    
428  O  O    . TYR A 32  ? 0.60900 0.71808 0.37875 -0.21734 -0.10332 0.16377  351 TYR A O    
429  C  CB   . TYR A 32  ? 0.61195 0.72672 0.34781 -0.32824 -0.08696 0.16352  351 TYR A CB   
430  C  CG   . TYR A 32  ? 0.59633 0.65576 0.31782 -0.31678 -0.05909 0.14303  351 TYR A CG   
431  C  CD1  . TYR A 32  ? 0.69164 0.69412 0.37537 -0.31435 -0.06200 0.13601  351 TYR A CD1  
432  C  CD2  . TYR A 32  ? 0.57323 0.64580 0.33124 -0.29925 -0.03410 0.12782  351 TYR A CD2  
433  C  CE1  . TYR A 32  ? 0.77092 0.74145 0.45662 -0.29967 -0.04011 0.11524  351 TYR A CE1  
434  C  CE2  . TYR A 32  ? 0.53654 0.56990 0.29136 -0.28109 -0.01457 0.10724  351 TYR A CE2  
435  C  CZ   . TYR A 32  ? 0.56145 0.55020 0.28338 -0.28226 -0.01695 0.10112  351 TYR A CZ   
436  O  OH   . TYR A 32  ? 0.59813 0.56284 0.32134 -0.26868 -0.00019 0.08493  351 TYR A OH   
437  H  H    . TYR A 32  ? 0.78694 0.78694 0.78694 0.00000  0.00000  0.00000  351 TYR A H    
438  H  HA   . TYR A 32  ? 0.69012 0.69012 0.69012 -0.00000 -0.00000 -0.00000 351 TYR A HA   
439  H  HB2  . TYR A 32  ? 0.64389 0.64389 0.64389 -0.00000 -0.00000 -0.00000 351 TYR A HB2  
440  H  HB3  . TYR A 32  ? 0.64389 0.64389 0.64389 -0.00000 -0.00000 -0.00000 351 TYR A HB3  
441  H  HD1  . TYR A 32  ? 0.71059 0.71059 0.71059 0.00000  -0.00000 -0.00000 351 TYR A HD1  
442  H  HD2  . TYR A 32  ? 0.62625 0.62625 0.62625 0.00000  0.00000  0.00000  351 TYR A HD2  
443  H  HE1  . TYR A 32  ? 0.79374 0.79374 0.79374 -0.00000 0.00000  0.00000  351 TYR A HE1  
444  H  HE2  . TYR A 32  ? 0.53606 0.53606 0.53606 0.00000  -0.00000 0.00000  351 TYR A HE2  
445  H  HH   . TYR A 32  ? 0.59907 0.59907 0.59907 0.00000  0.00000  0.00000  351 TYR A HH   
446  N  N    . GLU A 33  ? 0.58627 0.81094 0.42625 -0.23540 -0.07768 0.16489  352 GLU A N    
447  C  CA   . GLU A 33  ? 0.51158 0.75900 0.37888 -0.19528 -0.06035 0.15465  352 GLU A CA   
448  C  C    . GLU A 33  ? 0.49147 0.68833 0.33699 -0.21305 -0.03156 0.14275  352 GLU A C    
449  O  O    . GLU A 33  ? 0.68450 0.89893 0.54166 -0.23826 -0.01426 0.14506  352 GLU A O    
450  C  CB   . GLU A 33  ? 0.51742 0.87661 0.44563 -0.18084 -0.05579 0.16280  352 GLU A CB   
451  C  CG   . GLU A 33  ? 0.64224 1.03456 0.59278 -0.14069 -0.03480 0.15021  352 GLU A CG   
452  C  CD   . GLU A 33  ? 0.65400 1.02039 0.59543 -0.08532 -0.04789 0.13484  352 GLU A CD   
453  O  OE1  . GLU A 33  ? 0.73221 1.14425 0.69800 -0.05060 -0.06933 0.13829  352 GLU A OE1  
454  O  OE2  . GLU A 33  ? 0.62799 0.92129 0.53543 -0.07802 -0.04022 0.11963  352 GLU A OE2  
455  H  H    . GLU A 33  ? 0.73553 0.73553 0.73553 -0.00000 -0.00000 -0.00000 352 GLU A H    
456  H  HA   . GLU A 33  ? 0.65697 0.65697 0.65697 0.00000  -0.00000 -0.00000 352 GLU A HA   
457  H  HB2  . GLU A 33  ? 0.74201 0.74201 0.74201 0.00000  0.00000  0.00000  352 GLU A HB2  
458  H  HB3  . GLU A 33  ? 0.74201 0.74201 0.74201 0.00000  0.00000  0.00000  352 GLU A HB3  
459  H  HG2  . GLU A 33  ? 0.91398 0.91398 0.91398 0.00000  0.00000  0.00000  352 GLU A HG2  
460  H  HG3  . GLU A 33  ? 0.91398 0.91398 0.91398 0.00000  0.00000  0.00000  352 GLU A HG3  
461  N  N    . ALA A 34  ? 0.50592 0.63998 0.32104 -0.20000 -0.02887 0.13160  353 ALA A N    
462  C  CA   . ALA A 34  ? 0.60933 0.70652 0.40913 -0.21437 -0.00401 0.12122  353 ALA A CA   
463  C  C    . ALA A 34  ? 0.46019 0.58918 0.28560 -0.18484 0.01090  0.11218  353 ALA A C    
464  O  O    . ALA A 34  ? 0.49989 0.62461 0.32708 -0.19472 0.03121  0.10800  353 ALA A O    
465  C  CB   . ALA A 34  ? 0.58345 0.60701 0.33793 -0.22369 -0.00982 0.11664  353 ALA A CB   
466  H  H    . ALA A 34  ? 0.55607 0.55607 0.55607 0.00000  -0.00000 -0.00000 353 ALA A H    
467  H  HA   . ALA A 34  ? 0.69613 0.69613 0.69613 0.00000  0.00000  0.00000  353 ALA A HA   
468  H  HB1  . ALA A 34  ? 0.61750 0.61750 0.61750 0.00000  0.00000  0.00000  353 ALA A HB1  
469  H  HB2  . ALA A 34  ? 0.61750 0.61750 0.61750 0.00000  0.00000  0.00000  353 ALA A HB2  
470  H  HB3  . ALA A 34  ? 0.61750 0.61750 0.61750 0.00000  0.00000  0.00000  353 ALA A HB3  
471  N  N    . TYR A 35  ? 0.59253 0.75421 0.43514 -0.14582 -0.00075 0.10816  354 TYR A N    
472  C  CA   . TYR A 35  ? 0.46274 0.64164 0.31363 -0.11250 0.00851  0.09323  354 TYR A CA   
473  C  C    . TYR A 35  ? 0.52742 0.63325 0.34306 -0.11832 0.01008  0.08036  354 TYR A C    
474  O  O    . TYR A 35  ? 0.55359 0.60845 0.34449 -0.15083 0.01049  0.08521  354 TYR A O    
475  C  CB   . TYR A 35  ? 0.44973 0.70101 0.33218 -0.11598 0.03171  0.09847  354 TYR A CB   
476  C  CG   . TYR A 35  ? 0.40752 0.74160 0.32805 -0.11955 0.03048  0.11511  354 TYR A CG   
477  C  CD1  . TYR A 35  ? 0.48363 0.89135 0.43274 -0.08028 0.02498  0.11162  354 TYR A CD1  
478  C  CD2  . TYR A 35  ? 0.54394 0.88501 0.47208 -0.16266 0.03394  0.13308  354 TYR A CD2  
479  C  CE1  . TYR A 35  ? 0.53127 1.03177 0.52201 -0.08806 0.02403  0.12962  354 TYR A CE1  
480  C  CE2  . TYR A 35  ? 0.50790 0.92564 0.47066 -0.17533 0.02941  0.15065  354 TYR A CE2  
481  C  CZ   . TYR A 35  ? 0.60697 1.11168 0.60432 -0.14004 0.02495  0.15094  354 TYR A CZ   
482  O  OH   . TYR A 35  ? 0.87143 1.46622 0.90895 -0.15855 0.02010  0.17141  354 TYR A OH   
483  H  H    . TYR A 35  ? 0.71889 0.71889 0.71889 -0.00000 0.00000  0.00000  354 TYR A H    
484  H  HA   . TYR A 35  ? 0.53649 0.53649 0.53649 0.00000  0.00000  -0.00000 354 TYR A HA   
485  H  HB2  . TYR A 35  ? 0.59931 0.59931 0.59931 0.00000  -0.00000 0.00000  354 TYR A HB2  
486  H  HB3  . TYR A 35  ? 0.59931 0.59931 0.59931 0.00000  -0.00000 0.00000  354 TYR A HB3  
487  H  HD1  . TYR A 35  ? 0.72923 0.72923 0.72923 -0.00000 0.00000  0.00000  354 TYR A HD1  
488  H  HD2  . TYR A 35  ? 0.76655 0.76655 0.76655 -0.00000 -0.00000 0.00000  354 TYR A HD2  
489  H  HE1  . TYR A 35  ? 0.84016 0.84016 0.84016 0.00000  -0.00000 -0.00000 354 TYR A HE1  
490  H  HE2  . TYR A 35  ? 0.76782 0.76782 0.76782 0.00000  0.00000  -0.00000 354 TYR A HE2  
491  H  HH   . TYR A 35  ? 1.30478 1.30478 1.30478 -0.00000 -0.00000 -0.00000 354 TYR A HH   
492  N  N    . GLU A 36  ? 0.58817 0.69438 0.40016 -0.08656 0.00957  0.06276  355 GLU A N    
493  C  CA   . GLU A 36  ? 0.52639 0.58258 0.31175 -0.09357 0.01168  0.04933  355 GLU A CA   
494  C  C    . GLU A 36  ? 0.61473 0.71628 0.40953 -0.06764 0.02341  0.03380  355 GLU A C    
495  O  O    . GLU A 36  ? 0.54692 0.70826 0.36138 -0.03514 0.02668  0.02887  355 GLU A O    
496  C  CB   . GLU A 36  ? 0.57732 0.54864 0.32387 -0.08580 -0.01458 0.03929  355 GLU A CB   
497  C  CG   . GLU A 36  ? 0.76586 0.73493 0.51303 -0.03880 -0.03483 0.02946  355 GLU A CG   
498  C  CD   . GLU A 36  ? 1.07791 0.94512 0.78111 -0.02883 -0.06561 0.02049  355 GLU A CD   
499  O  OE1  . GLU A 36  ? 1.07536 0.87470 0.74574 -0.06884 -0.07189 0.02700  355 GLU A OE1  
500  O  OE2  . GLU A 36  ? 1.22164 1.07859 0.92385 0.02042  -0.08433 0.00758  355 GLU A OE2  
501  H  H    . GLU A 36  ? 0.67923 0.67923 0.67923 0.00000  -0.00000 -0.00000 355 GLU A H    
502  H  HA   . GLU A 36  ? 0.57443 0.57443 0.57443 0.00000  0.00000  0.00000  355 GLU A HA   
503  H  HB2  . GLU A 36  ? 0.56146 0.56146 0.56146 -0.00000 -0.00000 0.00000  355 GLU A HB2  
504  H  HB3  . GLU A 36  ? 0.56146 0.56146 0.56146 -0.00000 -0.00000 0.00000  355 GLU A HB3  
505  H  HG2  . GLU A 36  ? 0.81167 0.81167 0.81167 -0.00000 -0.00000 0.00000  355 GLU A HG2  
506  H  HG3  . GLU A 36  ? 0.81167 0.81167 0.81167 -0.00000 -0.00000 0.00000  355 GLU A HG3  
507  N  N    . CYS A 37  ? 0.57979 0.65532 0.35767 -0.08208 0.02764  0.02556  356 CYS A N    
508  C  CA   . CYS A 37  ? 0.63076 0.73873 0.40535 -0.06357 0.03485  0.00971  356 CYS A CA   
509  C  C    . CYS A 37  ? 0.64801 0.69099 0.38393 -0.04473 0.01309  -0.01753 356 CYS A C    
510  O  O    . CYS A 37  ? 0.60046 0.57599 0.31282 -0.07186 -0.00001 -0.01772 356 CYS A O    
511  C  CB   . CYS A 37  ? 0.48982 0.61646 0.27318 -0.09281 0.04977  0.02067  356 CYS A CB   
512  S  SG   . CYS A 37  ? 0.56263 0.74328 0.38351 -0.11184 0.07080  0.05021  356 CYS A SG   
513  H  H    . CYS A 37  ? 0.64325 0.64325 0.64325 -0.00000 -0.00000 -0.00000 356 CYS A H    
514  H  HA   . CYS A 37  ? 0.71608 0.71608 0.71608 0.00000  0.00000  0.00000  356 CYS A HA   
515  H  HB2  . CYS A 37  ? 0.55792 0.55792 0.55792 0.00000  0.00000  0.00000  356 CYS A HB2  
516  H  HB3  . CYS A 37  ? 0.55792 0.55792 0.55792 0.00000  0.00000  0.00000  356 CYS A HB3  
517  N  N    . ARG A 38  ? 0.60890 0.67124 0.33730 0.00153  0.00864  -0.04047 357 ARG A N    
518  C  CA   . ARG A 38  ? 0.69058 0.68218 0.37525 0.02523  -0.01352 -0.07318 357 ARG A CA   
519  C  C    . ARG A 38  ? 0.70325 0.74801 0.37656 0.05302  -0.00223 -0.09881 357 ARG A C    
520  O  O    . ARG A 38  ? 0.66341 0.80427 0.36409 0.07149  0.02025  -0.09297 357 ARG A O    
521  C  CB   . ARG A 38  ? 0.75539 0.69723 0.42824 0.06700  -0.03595 -0.08615 357 ARG A CB   
522  C  CG   . ARG A 38  ? 0.87208 0.76786 0.55141 0.04102  -0.04952 -0.05743 357 ARG A CG   
523  C  CD   . ARG A 38  ? 1.00999 0.84413 0.67310 0.08224  -0.07894 -0.06615 357 ARG A CD   
524  N  NE   . ARG A 38  ? 1.30613 1.03518 0.91659 0.09920  -0.10545 -0.09592 357 ARG A NE   
525  C  CZ   . ARG A 38  ? 1.38914 1.00007 0.95663 0.06897  -0.13471 -0.08881 357 ARG A CZ   
526  N  NH1  . ARG A 38  ? 1.29411 0.88533 0.86284 0.01625  -0.13640 -0.05365 357 ARG A NH1  
527  N  NH2  . ARG A 38  ? 1.50180 1.01010 1.01942 0.09017  -0.16331 -0.11811 357 ARG A NH2  
528  H  H    . ARG A 38  ? 0.61627 0.61627 0.61627 0.00000  0.00000  0.00000  357 ARG A H    
529  H  HA   . ARG A 38  ? 0.66850 0.66850 0.66850 -0.00000 -0.00000 -0.00000 357 ARG A HA   
530  H  HB2  . ARG A 38  ? 0.72164 0.72164 0.72164 0.00000  0.00000  -0.00000 357 ARG A HB2  
531  H  HB3  . ARG A 38  ? 0.72164 0.72164 0.72164 0.00000  0.00000  -0.00000 357 ARG A HB3  
532  H  HG2  . ARG A 38  ? 0.88268 0.88268 0.88268 -0.00000 -0.00000 0.00000  357 ARG A HG2  
533  H  HG3  . ARG A 38  ? 0.88268 0.88268 0.88268 -0.00000 -0.00000 0.00000  357 ARG A HG3  
534  H  HD2  . ARG A 38  ? 1.01703 1.01703 1.01703 0.00000  -0.00000 -0.00000 357 ARG A HD2  
535  H  HD3  . ARG A 38  ? 1.01703 1.01703 1.01703 0.00000  -0.00000 -0.00000 357 ARG A HD3  
536  H  HE   . ARG A 38  ? 1.30930 1.30930 1.30930 0.00000  -0.00000 0.00000  357 ARG A HE   
537  H  HH11 . ARG A 38  ? 1.22305 1.22305 1.22305 -0.00000 0.00000  -0.00000 357 ARG A HH11 
538  H  HH12 . ARG A 38  ? 1.22305 1.22305 1.22305 -0.00000 0.00000  -0.00000 357 ARG A HH12 
539  H  HH21 . ARG A 38  ? 1.41867 1.41867 1.41867 -0.00000 -0.00000 0.00000  357 ARG A HH21 
540  H  HH22 . ARG A 38  ? 1.41867 1.41867 1.41867 -0.00000 -0.00000 0.00000  357 ARG A HH22 
541  N  N    . GLY A 39  ? 0.74930 1.09925 0.69305 0.29362  -0.29122 -0.25441 358 GLY A N    
542  C  CA   . GLY A 39  ? 0.70468 1.11469 0.69971 0.29969  -0.26664 -0.26807 358 GLY A CA   
543  C  C    . GLY A 39  ? 0.63434 0.97577 0.58236 0.28574  -0.23719 -0.24030 358 GLY A C    
544  O  O    . GLY A 39  ? 0.74307 1.00307 0.62885 0.26638  -0.23132 -0.21273 358 GLY A O    
545  H  H    . GLY A 39  ? 1.02278 1.02278 1.02278 -0.00000 0.00000  0.00000  358 GLY A H    
546  H  HA2  . GLY A 39  ? 1.01377 1.01377 1.01377 -0.00000 -0.00000 -0.00000 358 GLY A HA2  
547  H  HA3  . GLY A 39  ? 1.01377 1.01377 1.01377 -0.00000 -0.00000 -0.00000 358 GLY A HA3  
548  N  N    . GLY A 40  ? 0.74303 1.12246 0.72133 0.29570  -0.21712 -0.25030 359 GLY A N    
549  C  CA   . GLY A 40  ? 0.76705 1.09128 0.70705 0.28730  -0.19323 -0.22849 359 GLY A CA   
550  C  C    . GLY A 40  ? 0.47249 0.82902 0.42040 0.23803  -0.15823 -0.22037 359 GLY A C    
551  O  O    . GLY A 40  ? 0.56061 0.99398 0.55569 0.20653  -0.14482 -0.23440 359 GLY A O    
552  H  H    . GLY A 40  ? 1.04087 1.04087 1.04087 -0.00000 0.00000  -0.00000 359 GLY A H    
553  H  HA2  . GLY A 40  ? 1.03229 1.03229 1.03229 0.00000  0.00000  -0.00000 359 GLY A HA2  
554  H  HA3  . GLY A 40  ? 1.03229 1.03229 1.03229 0.00000  0.00000  -0.00000 359 GLY A HA3  
555  N  N    . CYS A 41  ? 0.44981 0.73082 0.35140 0.22749  -0.13533 -0.19382 360 CYS A N    
556  C  CA   . CYS A 41  ? 0.43678 0.71192 0.33122 0.18824  -0.09520 -0.17670 360 CYS A CA   
557  C  C    . CYS A 41  ? 0.57912 0.85392 0.47542 0.20595  -0.08272 -0.17845 360 CYS A C    
558  O  O    . CYS A 41  ? 0.68869 0.89547 0.55058 0.21969  -0.08939 -0.16568 360 CYS A O    
559  C  CB   . CYS A 41  ? 0.65324 0.84098 0.49046 0.16959  -0.08817 -0.14782 360 CYS A CB   
560  S  SG   . CYS A 41  ? 0.82957 1.00314 0.64649 0.15554  -0.11024 -0.15227 360 CYS A SG   
561  H  H    . CYS A 41  ? 0.61268 0.61268 0.61268 -0.00000 0.00000  -0.00000 360 CYS A H    
562  H  HA   . CYS A 41  ? 0.59811 0.59811 0.59811 -0.00000 -0.00000 0.00000  360 CYS A HA   
563  H  HB2  . CYS A 41  ? 0.80002 0.80002 0.80002 0.00000  0.00000  -0.00000 360 CYS A HB2  
564  H  HB3  . CYS A 41  ? 0.80002 0.80002 0.80002 0.00000  0.00000  -0.00000 360 CYS A HB3  
565  N  N    . PHE A 42  ? 0.53803 0.89161 0.47507 0.20736  -0.06694 -0.19886 361 PHE A N    
566  C  CA   . PHE A 42  ? 0.70525 1.05381 0.63632 0.22251  -0.05725 -0.20176 361 PHE A CA   
567  C  C    . PHE A 42  ? 0.60060 1.01615 0.55511 0.19696  -0.02400 -0.20419 361 PHE A C    
568  O  O    . PHE A 42  ? 0.43858 0.92739 0.42659 0.17983  -0.00852 -0.21885 361 PHE A O    
569  C  CB   . PHE A 42  ? 0.60588 0.95759 0.55309 0.26544  -0.08660 -0.22352 361 PHE A CB   
570  C  CG   . PHE A 42  ? 0.64480 1.08078 0.64103 0.28344  -0.09897 -0.25398 361 PHE A CG   
571  C  CD1  . PHE A 42  ? 0.72941 1.17386 0.73809 0.29710  -0.12500 -0.26122 361 PHE A CD1  
572  C  CD2  . PHE A 42  ? 0.75532 1.26373 0.78703 0.28271  -0.08517 -0.27317 361 PHE A CD2  
573  C  CE1  . PHE A 42  ? 0.68633 1.20512 0.74279 0.30588  -0.13810 -0.28758 361 PHE A CE1  
574  C  CE2  . PHE A 42  ? 0.86352 1.45296 0.94559 0.29492  -0.09426 -0.30212 361 PHE A CE2  
575  C  CZ   . PHE A 42  ? 0.88496 1.48009 0.98162 0.30609  -0.12148 -0.31006 361 PHE A CZ   
576  H  H    . PHE A 42  ? 0.76803 0.76803 0.76803 -0.00000 0.00000  0.00000  361 PHE A H    
577  H  HA   . PHE A 42  ? 0.96429 0.96429 0.96429 -0.00000 -0.00000 0.00000  361 PHE A HA   
578  H  HB2  . PHE A 42  ? 0.85276 0.85276 0.85276 0.00000  0.00000  -0.00000 361 PHE A HB2  
579  H  HB3  . PHE A 42  ? 0.85276 0.85276 0.85276 0.00000  0.00000  -0.00000 361 PHE A HB3  
580  H  HD1  . PHE A 42  ? 1.06268 1.06268 1.06268 -0.00000 -0.00000 0.00000  361 PHE A HD1  
581  H  HD2  . PHE A 42  ? 1.12857 1.12857 1.12857 0.00000  0.00000  -0.00000 361 PHE A HD2  
582  H  HE1  . PHE A 42  ? 1.05984 1.05984 1.05984 -0.00000 0.00000  0.00000  361 PHE A HE1  
583  H  HE2  . PHE A 42  ? 1.31097 1.31097 1.31097 -0.00000 -0.00000 0.00000  361 PHE A HE2  
584  H  HZ   . PHE A 42  ? 1.34481 1.34481 1.34481 0.00000  -0.00000 0.00000  361 PHE A HZ   
585  N  N    . PHE A 43  ? 0.62525 1.01897 0.56305 0.19550  -0.01453 -0.19380 362 PHE A N    
586  C  CA   . PHE A 43  ? 0.48355 0.92347 0.42583 0.17557  0.01642  -0.19352 362 PHE A CA   
587  C  C    . PHE A 43  ? 0.46076 0.96571 0.43871 0.19785  0.01329  -0.22340 362 PHE A C    
588  O  O    . PHE A 43  ? 0.61168 1.09621 0.59068 0.23150  -0.01434 -0.23779 362 PHE A O    
589  C  CB   . PHE A 43  ? 0.45506 0.83887 0.35296 0.16751  0.02499  -0.17067 362 PHE A CB   
590  C  CG   . PHE A 43  ? 0.40598 0.73228 0.27256 0.14825  0.02877  -0.14255 362 PHE A CG   
591  C  CD1  . PHE A 43  ? 0.56155 0.89358 0.41632 0.11869  0.05332  -0.12919 362 PHE A CD1  
592  C  CD2  . PHE A 43  ? 0.62838 0.89672 0.47912 0.15855  0.00905  -0.13173 362 PHE A CD2  
593  C  CE1  . PHE A 43  ? 0.48506 0.75896 0.30726 0.10570  0.05544  -0.10513 362 PHE A CE1  
594  C  CE2  . PHE A 43  ? 0.72573 0.94928 0.55306 0.14382  0.01385  -0.10806 362 PHE A CE2  
595  C  CZ   . PHE A 43  ? 0.53704 0.75908 0.34787 0.12049  0.03542  -0.09443 362 PHE A CZ   
596  H  H    . PHE A 43  ? 0.88905 0.88905 0.88905 0.00000  0.00000  -0.00000 362 PHE A H    
597  H  HA   . PHE A 43  ? 0.73928 0.73928 0.73928 -0.00000 0.00000  0.00000  362 PHE A HA   
598  H  HB2  . PHE A 43  ? 0.66490 0.66490 0.66490 -0.00000 0.00000  -0.00000 362 PHE A HB2  
599  H  HB3  . PHE A 43  ? 0.66490 0.66490 0.66490 -0.00000 0.00000  -0.00000 362 PHE A HB3  
600  H  HD1  . PHE A 43  ? 0.75472 0.75472 0.75472 -0.00000 -0.00000 -0.00000 362 PHE A HD1  
601  H  HD2  . PHE A 43  ? 0.80783 0.80783 0.80783 0.00000  -0.00000 -0.00000 362 PHE A HD2  
602  H  HE1  . PHE A 43  ? 0.62665 0.62665 0.62665 0.00000  0.00000  -0.00000 362 PHE A HE1  
603  H  HE2  . PHE A 43  ? 0.89737 0.89737 0.89737 -0.00000 0.00000  0.00000  362 PHE A HE2  
604  H  HZ   . PHE A 43  ? 0.66374 0.66374 0.66374 -0.00000 -0.00000 -0.00000 362 PHE A HZ   
605  N  N    . PRO A 44  ? 0.47100 1.04870 0.47471 0.17689  0.04374  -0.23200 363 PRO A N    
606  C  CA   . PRO A 44  ? 0.56282 1.14749 0.55415 0.13139  0.07919  -0.21154 363 PRO A CA   
607  C  C    . PRO A 44  ? 0.54470 1.17271 0.57481 0.11096  0.07816  -0.22096 363 PRO A C    
608  O  O    . PRO A 44  ? 0.40750 1.10121 0.49411 0.12965  0.05811  -0.25078 363 PRO A O    
609  C  CB   . PRO A 44  ? 0.48281 1.12606 0.48591 0.11706  0.11388  -0.21924 363 PRO A CB   
610  C  CG   . PRO A 44  ? 0.55462 1.26903 0.61533 0.15116  0.09380  -0.25692 363 PRO A CG   
611  C  CD   . PRO A 44  ? 0.46734 1.12087 0.51223 0.19417  0.04744  -0.26203 363 PRO A CD   
612  H  HA   . PRO A 44  ? 0.91193 0.91193 0.91193 -0.00000 -0.00000 -0.00000 363 PRO A HA   
613  H  HB2  . PRO A 44  ? 0.80720 0.80720 0.80720 -0.00000 0.00000  0.00000  363 PRO A HB2  
614  H  HB3  . PRO A 44  ? 0.80720 0.80720 0.80720 -0.00000 0.00000  0.00000  363 PRO A HB3  
615  H  HG2  . PRO A 44  ? 0.98174 0.98174 0.98174 -0.00000 -0.00000 0.00000  363 PRO A HG2  
616  H  HG3  . PRO A 44  ? 0.98174 0.98174 0.98174 -0.00000 -0.00000 0.00000  363 PRO A HG3  
617  H  HD2  . PRO A 44  ? 0.84507 0.84507 0.84507 -0.00000 -0.00000 0.00000  363 PRO A HD2  
618  H  HD3  . PRO A 44  ? 0.84507 0.84507 0.84507 -0.00000 -0.00000 0.00000  363 PRO A HD3  
619  N  N    . LEU A 45  ? 0.59148 1.19277 0.59372 0.06922  0.10290  -0.19888 364 LEU A N    
620  C  CA   . LEU A 45  ? 0.59707 1.22132 0.62925 0.03935  0.09947  -0.20558 364 LEU A CA   
621  C  C    . LEU A 45  ? 0.63040 1.37291 0.74018 0.00681  0.12106  -0.23226 364 LEU A C    
622  O  O    . LEU A 45  ? 0.58223 1.36510 0.70031 -0.00641 0.15292  -0.23245 364 LEU A O    
623  C  CB   . LEU A 45  ? 0.48975 1.02136 0.46217 -0.00234 0.11618  -0.16854 364 LEU A CB   
624  C  CG   . LEU A 45  ? 0.72963 1.15833 0.63128 0.02115  0.10543  -0.13996 364 LEU A CG   
625  C  CD1  . LEU A 45  ? 0.82521 1.17544 0.66746 -0.01503 0.13087  -0.10513 364 LEU A CD1  
626  C  CD2  . LEU A 45  ? 0.52935 0.91358 0.43131 0.05275  0.06314  -0.14345 364 LEU A CD2  
627  H  H    . LEU A 45  ? 0.95733 0.95733 0.95733 -0.00000 -0.00000 0.00000  364 LEU A H    
628  H  HA   . LEU A 45  ? 0.98519 0.98519 0.98519 -0.00000 0.00000  0.00000  364 LEU A HA   
629  H  HB2  . LEU A 45  ? 0.79545 0.79545 0.79545 -0.00000 -0.00000 0.00000  364 LEU A HB2  
630  H  HB3  . LEU A 45  ? 0.79545 0.79545 0.79545 -0.00000 -0.00000 0.00000  364 LEU A HB3  
631  H  HG   . LEU A 45  ? 1.01383 1.01383 1.01383 -0.00000 0.00000  0.00000  364 LEU A HG   
632  H  HD11 . LEU A 45  ? 1.07338 1.07338 1.07338 -0.00000 -0.00000 -0.00000 364 LEU A HD11 
633  H  HD12 . LEU A 45  ? 1.07338 1.07338 1.07338 -0.00000 -0.00000 -0.00000 364 LEU A HD12 
634  H  HD13 . LEU A 45  ? 1.07338 1.07338 1.07338 -0.00000 -0.00000 -0.00000 364 LEU A HD13 
635  H  HD21 . LEU A 45  ? 0.75584 0.75584 0.75584 -0.00000 0.00000  0.00000  364 LEU A HD21 
636  H  HD22 . LEU A 45  ? 0.75584 0.75584 0.75584 -0.00000 0.00000  0.00000  364 LEU A HD22 
637  H  HD23 . LEU A 45  ? 0.75584 0.75584 0.75584 -0.00000 0.00000  0.00000  364 LEU A HD23 
638  N  N    . ALA A 46  ? 0.80816 1.58227 0.96883 -0.00888 0.09472  -0.24873 365 ALA A N    
639  C  CA   . ALA A 46  ? 0.77608 1.65554 1.01420 -0.05839 0.11470  -0.27133 365 ALA A CA   
640  C  C    . ALA A 46  ? 0.87036 1.69915 1.06273 -0.12663 0.16625  -0.24003 365 ALA A C    
641  O  O    . ALA A 46  ? 0.80936 1.51223 0.91778 -0.13512 0.16730  -0.20447 365 ALA A O    
642  C  CB   . ALA A 46  ? 0.68302 1.58638 0.96922 -0.05887 0.06470  -0.29444 365 ALA A CB   
643  H  H    . ALA A 46  ? 1.34984 1.34984 1.34984 0.00000  -0.00000 -0.00000 365 ALA A H    
644  H  HA   . ALA A 46  ? 1.38447 1.38447 1.38447 0.00000  0.00000  -0.00000 365 ALA A HA   
645  H  HB1  . ALA A 46  ? 1.30159 1.30159 1.30159 -0.00000 0.00000  0.00000  365 ALA A HB1  
646  H  HB2  . ALA A 46  ? 1.30159 1.30159 1.30159 -0.00000 0.00000  0.00000  365 ALA A HB2  
647  H  HB3  . ALA A 46  ? 1.30159 1.30159 1.30159 -0.00000 0.00000  0.00000  365 ALA A HB3  
648  N  N    . ASP A 47  ? 1.23392 2.15448 1.47693 -0.17382 0.21090  -0.25131 366 ASP A N    
649  C  CA   . ASP A 47  ? 1.43315 2.27869 1.61063 -0.23102 0.26098  -0.21355 366 ASP A CA   
650  C  C    . ASP A 47  ? 1.39476 2.20030 1.57462 -0.30419 0.26857  -0.20713 366 ASP A C    
651  O  O    . ASP A 47  ? 1.54406 2.26906 1.66185 -0.35588 0.30935  -0.17406 366 ASP A O    
652  C  CB   . ASP A 47  ? 1.45071 2.35098 1.64996 -0.24309 0.29786  -0.21403 366 ASP A CB   
653  C  CG   . ASP A 47  ? 1.43349 2.46861 1.74658 -0.25898 0.29311  -0.25589 366 ASP A CG   
654  O  OD1  . ASP A 47  ? 1.41879 2.50622 1.79624 -0.25197 0.25109  -0.28679 366 ASP A OD1  
655  O  OD2  . ASP A 47  ? 1.52675 2.61445 1.86268 -0.27503 0.32953  -0.25769 366 ASP A OD2  
656  H  H    . ASP A 47  ? 1.95228 1.95228 1.95228 -0.00000 0.00000  0.00000  366 ASP A H    
657  H  HA   . ASP A 47  ? 2.13513 2.13513 2.13513 -0.00000 -0.00000 0.00000  366 ASP A HA   
658  H  HB2  . ASP A 47  ? 2.18680 2.18680 2.18680 -0.00000 0.00000  -0.00000 366 ASP A HB2  
659  H  HB3  . ASP A 47  ? 2.18680 2.18680 2.18680 -0.00000 0.00000  -0.00000 366 ASP A HB3  
660  N  N    . ASP A 48  ? 1.16669 1.99617 1.40059 -0.30286 0.22043  -0.23467 367 ASP A N    
661  C  CA   . ASP A 48  ? 1.16776 1.94805 1.40289 -0.36793 0.21470  -0.23587 367 ASP A CA   
662  C  C    . ASP A 48  ? 1.16114 1.82205 1.33531 -0.33971 0.16373  -0.22812 367 ASP A C    
663  O  O    . ASP A 48  ? 1.06887 1.71382 1.26008 -0.37524 0.13847  -0.24649 367 ASP A O    
664  C  CB   . ASP A 48  ? 1.18747 2.12265 1.54986 -0.41475 0.21236  -0.28258 367 ASP A CB   
665  C  CG   . ASP A 48  ? 1.20553 2.25757 1.65116 -0.34961 0.15660  -0.32522 367 ASP A CG   
666  O  OD1  . ASP A 48  ? 1.08371 2.14630 1.51323 -0.27721 0.14654  -0.32222 367 ASP A OD1  
667  O  OD2  . ASP A 48  ? 1.32336 2.42683 1.83054 -0.36207 0.11798  -0.35714 367 ASP A OD2  
668  H  H    . ASP A 48  ? 1.83152 1.83152 1.83152 -0.00000 -0.00000 -0.00000 367 ASP A H    
669  H  HA   . ASP A 48  ? 1.81362 1.81362 1.81362 -0.00000 0.00000  0.00000  367 ASP A HA   
670  H  HB2  . ASP A 48  ? 1.95013 1.95013 1.95013 -0.00000 -0.00000 0.00000  367 ASP A HB2  
671  H  HB3  . ASP A 48  ? 1.95013 1.95013 1.95013 -0.00000 -0.00000 0.00000  367 ASP A HB3  
672  N  N    . VAL A 49  ? 0.80312 1.38145 0.90528 -0.27758 0.14909  -0.20338 368 VAL A N    
673  C  CA   . VAL A 49  ? 0.81336 1.29400 0.86164 -0.24341 0.10582  -0.19734 368 VAL A CA   
674  C  C    . VAL A 49  ? 0.99685 1.32901 0.94439 -0.25288 0.12701  -0.15700 368 VAL A C    
675  O  O    . VAL A 49  ? 1.05854 1.35785 0.96995 -0.27432 0.16868  -0.13041 368 VAL A O    
676  C  CB   . VAL A 49  ? 0.70062 1.20062 0.75018 -0.16731 0.07054  -0.20264 368 VAL A CB   
677  C  CG1  . VAL A 49  ? 0.75653 1.39140 0.89993 -0.14741 0.04111  -0.24425 368 VAL A CG1  
678  C  CG2  . VAL A 49  ? 0.68225 1.15644 0.69060 -0.13464 0.09646  -0.17623 368 VAL A CG2  
679  H  H    . VAL A 49  ? 1.24208 1.24208 1.24208 -0.00000 0.00000  -0.00000 368 VAL A H    
680  H  HA   . VAL A 49  ? 1.19374 1.19374 1.19374 0.00000  0.00000  0.00000  368 VAL A HA   
681  H  HB   . VAL A 49  ? 1.06671 1.06671 1.06671 -0.00000 -0.00000 0.00000  368 VAL A HB   
682  H  HG11 . VAL A 49  ? 1.22529 1.22529 1.22529 -0.00000 -0.00000 -0.00000 368 VAL A HG11 
683  H  HG12 . VAL A 49  ? 1.22529 1.22529 1.22529 -0.00000 -0.00000 -0.00000 368 VAL A HG12 
684  H  HG13 . VAL A 49  ? 1.22529 1.22529 1.22529 -0.00000 -0.00000 -0.00000 368 VAL A HG13 
685  H  HG21 . VAL A 49  ? 1.01786 1.01786 1.01786 -0.00000 -0.00000 -0.00000 368 VAL A HG21 
686  H  HG22 . VAL A 49  ? 1.01786 1.01786 1.01786 -0.00000 -0.00000 -0.00000 368 VAL A HG22 
687  H  HG23 . VAL A 49  ? 1.01786 1.01786 1.01786 -0.00000 -0.00000 -0.00000 368 VAL A HG23 
688  N  N    . THR A 50  ? 1.19328 1.43455 1.09063 -0.23176 0.09731  -0.15297 369 THR A N    
689  C  CA   . THR A 50  ? 1.26765 1.37018 1.07372 -0.22757 0.11121  -0.11991 369 THR A CA   
690  C  C    . THR A 50  ? 1.08834 1.15562 0.85927 -0.16105 0.09192  -0.10596 369 THR A C    
691  O  O    . THR A 50  ? 1.15838 1.18830 0.90936 -0.13871 0.06399  -0.11456 369 THR A O    
692  C  CB   . THR A 50  ? 1.50299 1.52354 1.27710 -0.26485 0.10077  -0.13051 369 THR A CB   
693  O  OG1  . THR A 50  ? 1.60221 1.64600 1.39276 -0.24173 0.05611  -0.15912 369 THR A OG1  
694  C  CG2  . THR A 50  ? 1.43006 1.48137 1.24234 -0.34128 0.12278  -0.14418 369 THR A CG2  
695  H  H    . THR A 50  ? 1.49352 1.49352 1.49352 -0.00000 -0.00000 -0.00000 369 THR A H    
696  H  HA   . THR A 50  ? 1.49076 1.49076 1.49076 -0.00000 0.00000  0.00000  369 THR A HA   
697  H  HB   . THR A 50  ? 1.72759 1.72759 1.72759 0.00000  0.00000  0.00000  369 THR A HB   
698  H  HG1  . THR A 50  ? 1.86253 1.86253 1.86253 -0.00000 -0.00000 -0.00000 369 THR A HG1  
699  H  HG21 . THR A 50  ? 1.66764 1.66764 1.66764 0.00000  -0.00000 0.00000  369 THR A HG21 
700  H  HG22 . THR A 50  ? 1.66764 1.66764 1.66764 0.00000  -0.00000 0.00000  369 THR A HG22 
701  H  HG23 . THR A 50  ? 1.66764 1.66764 1.66764 0.00000  -0.00000 0.00000  369 THR A HG23 
702  N  N    . PRO A 51  ? 0.84942 0.92768 0.60954 -0.13100 0.10696  -0.08562 370 PRO A N    
703  C  CA   . PRO A 51  ? 0.80892 0.85941 0.54480 -0.07621 0.09033  -0.07420 370 PRO A CA   
704  C  C    . PRO A 51  ? 0.77956 0.72607 0.44793 -0.06295 0.10177  -0.04587 370 PRO A C    
705  O  O    . PRO A 51  ? 1.25426 1.14881 0.88396 -0.08292 0.12604  -0.02588 370 PRO A O    
706  C  CB   . PRO A 51  ? 0.65384 0.77424 0.41604 -0.05495 0.09838  -0.07304 370 PRO A CB   
707  C  CG   . PRO A 51  ? 0.84748 0.98060 0.60315 -0.09483 0.13416  -0.06352 370 PRO A CG   
708  C  CD   . PRO A 51  ? 0.93123 1.06211 0.70629 -0.14771 0.13887  -0.07734 370 PRO A CD   
709  H  HA   . PRO A 51  ? 0.89140 0.89140 0.89140 -0.00000 0.00000  -0.00000 370 PRO A HA   
710  H  HB2  . PRO A 51  ? 0.74379 0.74379 0.74379 -0.00000 0.00000  -0.00000 370 PRO A HB2  
711  H  HB3  . PRO A 51  ? 0.74379 0.74379 0.74379 -0.00000 0.00000  -0.00000 370 PRO A HB3  
712  H  HG2  . PRO A 51  ? 0.97864 0.97864 0.97864 -0.00000 -0.00000 -0.00000 370 PRO A HG2  
713  H  HG3  . PRO A 51  ? 0.97864 0.97864 0.97864 -0.00000 -0.00000 -0.00000 370 PRO A HG3  
714  H  HD2  . PRO A 51  ? 1.08599 1.08599 1.08599 -0.00000 0.00000  -0.00000 370 PRO A HD2  
715  H  HD3  . PRO A 51  ? 1.08599 1.08599 1.08599 -0.00000 0.00000  -0.00000 370 PRO A HD3  
716  N  N    . THR A 52  ? 0.71543 0.63082 0.36819 -0.02676 0.08481  -0.04394 371 THR A N    
717  C  CA   . THR A 52  ? 0.63455 0.47556 0.23947 -0.00194 0.09424  -0.02093 371 THR A CA   
718  C  C    . THR A 52  ? 0.59558 0.46932 0.20939 0.02921  0.09534  -0.00682 371 THR A C    
719  O  O    . THR A 52  ? 0.64634 0.58798 0.29833 0.03829  0.08508  -0.01775 371 THR A O    
720  C  CB   . THR A 52  ? 0.66190 0.46150 0.24797 0.02014  0.08281  -0.02665 371 THR A CB   
721  O  OG1  . THR A 52  ? 0.75190 0.60132 0.36790 0.04506  0.06706  -0.03280 371 THR A OG1  
722  C  CG2  . THR A 52  ? 0.73629 0.50631 0.30770 -0.00787 0.07451  -0.04672 371 THR A CG2  
723  H  H    . THR A 52  ? 0.69192 0.69192 0.69192 0.00000  -0.00000 0.00000  371 THR A H    
724  H  HA   . THR A 52  ? 0.54004 0.54004 0.54004 0.00000  -0.00000 -0.00000 371 THR A HA   
725  H  HB   . THR A 52  ? 0.55469 0.55469 0.55469 -0.00000 0.00000  0.00000  371 THR A HB   
726  H  HG1  . THR A 52  ? 0.69459 0.69459 0.69459 0.00000  0.00000  -0.00000 371 THR A HG1  
727  H  HG21 . THR A 52  ? 0.62626 0.62626 0.62626 0.00000  -0.00000 0.00000  371 THR A HG21 
728  H  HG22 . THR A 52  ? 0.62626 0.62626 0.62626 0.00000  -0.00000 0.00000  371 THR A HG22 
729  H  HG23 . THR A 52  ? 0.62626 0.62626 0.62626 0.00000  -0.00000 0.00000  371 THR A HG23 
730  N  N    . LYS A 53  ? 0.78584 0.60729 0.36157 0.04860  0.10452  0.01510  372 LYS A N    
731  C  CA   . LYS A 53  ? 0.60773 0.46002 0.19124 0.07975  0.09867  0.02529  372 LYS A CA   
732  C  C    . LYS A 53  ? 0.60808 0.49702 0.23775 0.10262  0.08044  0.01432  372 LYS A C    
733  O  O    . LYS A 53  ? 0.58566 0.52572 0.24976 0.11169  0.06830  0.00834  372 LYS A O    
734  C  CB   . LYS A 53  ? 0.78635 0.57932 0.32851 0.09766  0.10437  0.04980  372 LYS A CB   
735  C  CG   . LYS A 53  ? 0.76750 0.51196 0.25749 0.06979  0.12408  0.06730  372 LYS A CG   
736  C  CD   . LYS A 53  ? 1.20294 0.89568 0.65222 0.09556  0.12171  0.09217  372 LYS A CD   
737  C  CE   . LYS A 53  ? 1.20794 0.80866 0.59073 0.06860  0.14256  0.11337  372 LYS A CE   
738  N  NZ   . LYS A 53  ? 1.19700 0.70155 0.54118 0.06060  0.15164  0.11298  372 LYS A NZ   
739  H  H    . LYS A 53  ? 0.70802 0.70802 0.70802 0.00000  0.00000  -0.00000 372 LYS A H    
740  H  HA   . LYS A 53  ? 0.50974 0.50974 0.50974 -0.00000 -0.00000 -0.00000 372 LYS A HA   
741  H  HB2  . LYS A 53  ? 0.68381 0.68381 0.68381 -0.00000 -0.00000 0.00000  372 LYS A HB2  
742  H  HB3  . LYS A 53  ? 0.68381 0.68381 0.68381 -0.00000 -0.00000 0.00000  372 LYS A HB3  
743  H  HG2  . LYS A 53  ? 0.62092 0.62092 0.62092 -0.00000 0.00000  -0.00000 372 LYS A HG2  
744  H  HG3  . LYS A 53  ? 0.62092 0.62092 0.62092 -0.00000 0.00000  -0.00000 372 LYS A HG3  
745  H  HD2  . LYS A 53  ? 1.10648 1.10648 1.10648 0.00000  -0.00000 0.00000  372 LYS A HD2  
746  H  HD3  . LYS A 53  ? 1.10648 1.10648 1.10648 0.00000  -0.00000 0.00000  372 LYS A HD3  
747  H  HE2  . LYS A 53  ? 1.04908 1.04908 1.04908 -0.00000 -0.00000 0.00000  372 LYS A HE2  
748  H  HE3  . LYS A 53  ? 1.04908 1.04908 1.04908 -0.00000 -0.00000 0.00000  372 LYS A HE3  
749  H  HZ1  . LYS A 53  ? 0.98203 0.98203 0.98203 -0.00000 0.00000  -0.00000 372 LYS A HZ1  
750  H  HZ2  . LYS A 53  ? 0.98203 0.98203 0.98203 -0.00000 0.00000  -0.00000 372 LYS A HZ2  
751  H  HZ3  . LYS A 53  ? 0.98203 0.98203 0.98203 -0.00000 0.00000  -0.00000 372 LYS A HZ3  
752  N  N    . HIS A 54  ? 0.64728 0.50366 0.27178 0.10840  0.08094  0.01064  373 HIS A N    
753  C  CA   . HIS A 54  ? 0.55108 0.43557 0.21125 0.12256  0.07105  0.00430  373 HIS A CA   
754  C  C    . HIS A 54  ? 0.46514 0.39176 0.15166 0.11210  0.05693  -0.01042 373 HIS A C    
755  O  O    . HIS A 54  ? 0.52129 0.47331 0.23313 0.12267  0.04802  -0.01319 373 HIS A O    
756  C  CB   . HIS A 54  ? 0.67915 0.52206 0.32298 0.12839  0.07886  0.00334  373 HIS A CB   
757  C  CG   . HIS A 54  ? 0.58970 0.45670 0.26091 0.14123  0.07886  0.00341  373 HIS A CG   
758  N  ND1  . HIS A 54  ? 0.61695 0.49817 0.29820 0.13151  0.06946  -0.00370 373 HIS A ND1  
759  C  CD2  . HIS A 54  ? 0.50812 0.38895 0.19383 0.16324  0.08911  0.00962  373 HIS A CD2  
760  C  CE1  . HIS A 54  ? 0.57501 0.46879 0.27029 0.14192  0.07825  0.00042  373 HIS A CE1  
761  N  NE2  . HIS A 54  ? 0.63905 0.54300 0.34494 0.15977  0.09103  0.00642  373 HIS A NE2  
762  H  H    . HIS A 54  ? 0.57523 0.57523 0.57523 0.00000  -0.00000 -0.00000 373 HIS A H    
763  H  HA   . HIS A 54  ? 0.48530 0.48530 0.48530 -0.00000 -0.00000 -0.00000 373 HIS A HA   
764  H  HB2  . HIS A 54  ? 0.61582 0.61582 0.61582 0.00000  -0.00000 -0.00000 373 HIS A HB2  
765  H  HB3  . HIS A 54  ? 0.61582 0.61582 0.61582 0.00000  -0.00000 -0.00000 373 HIS A HB3  
766  H  HD1  . HIS A 54  ? 0.57147 0.57147 0.57147 -0.00000 0.00000  -0.00000 373 HIS A HD1  
767  H  HD2  . HIS A 54  ? 0.44250 0.44250 0.44250 -0.00000 -0.00000 -0.00000 373 HIS A HD2  
768  H  HE1  . HIS A 54  ? 0.53178 0.53178 0.53178 -0.00000 -0.00000 -0.00000 373 HIS A HE1  
769  N  N    . ALA A 55  ? 0.59449 0.52651 0.26904 0.09477  0.05476  -0.02221 374 ALA A N    
770  C  CA   . ALA A 55  ? 0.64316 0.61872 0.34210 0.09574  0.03754  -0.03930 374 ALA A CA   
771  C  C    . ALA A 55  ? 0.47120 0.49722 0.19936 0.10147  0.03456  -0.04377 374 ALA A C    
772  O  O    . ALA A 55  ? 0.49083 0.54152 0.24303 0.11380  0.01873  -0.05514 374 ALA A O    
773  C  CB   . ALA A 55  ? 0.58778 0.57416 0.28947 0.07442  0.03035  -0.05490 374 ALA A CB   
774  H  H    . ALA A 55  ? 0.56216 0.56216 0.56216 -0.00000 0.00000  0.00000  374 ALA A H    
775  H  HA   . ALA A 55  ? 0.64773 0.64773 0.64773 0.00000  0.00000  0.00000  374 ALA A HA   
776  H  HB1  . ALA A 55  ? 0.58671 0.58671 0.58671 -0.00000 0.00000  0.00000  374 ALA A HB1  
777  H  HB2  . ALA A 55  ? 0.58671 0.58671 0.58671 -0.00000 0.00000  0.00000  374 ALA A HB2  
778  H  HB3  . ALA A 55  ? 0.58671 0.58671 0.58671 -0.00000 0.00000  0.00000  374 ALA A HB3  
779  N  N    . ILE A 56  ? 0.59939 0.63103 0.31719 0.09403  0.04933  -0.03466 375 ILE A N    
780  C  CA   . ILE A 56  ? 0.57729 0.65020 0.31406 0.09911  0.04737  -0.03915 375 ILE A CA   
781  C  C    . ILE A 56  ? 0.40589 0.47350 0.15413 0.11868  0.03465  -0.03407 375 ILE A C    
782  O  O    . ILE A 56  ? 0.47580 0.57137 0.24453 0.12904  0.02186  -0.04737 375 ILE A O    
783  C  CB   . ILE A 56  ? 0.47231 0.54451 0.17931 0.08279  0.06946  -0.02808 375 ILE A CB   
784  C  CG1  . ILE A 56  ? 0.60309 0.69455 0.31111 0.05404  0.08487  -0.03723 375 ILE A CG1  
785  C  CG2  . ILE A 56  ? 0.59034 0.69656 0.30569 0.08954  0.06820  -0.03236 375 ILE A CG2  
786  C  CD1  . ILE A 56  ? 0.80828 0.88611 0.48286 0.02637  0.11391  -0.02154 375 ILE A CD1  
787  H  H    . ILE A 56  ? 0.62518 0.62518 0.62518 0.00000  0.00000  -0.00000 375 ILE A H    
788  H  HA   . ILE A 56  ? 0.62276 0.62276 0.62276 -0.00000 0.00000  0.00000  375 ILE A HA   
789  H  HB   . ILE A 56  ? 0.48460 0.48460 0.48460 -0.00000 -0.00000 0.00000  375 ILE A HB   
790  H  HG12 . ILE A 56  ? 0.64965 0.64965 0.64965 -0.00000 -0.00000 -0.00000 375 ILE A HG12 
791  H  HG13 . ILE A 56  ? 0.64965 0.64965 0.64965 -0.00000 -0.00000 -0.00000 375 ILE A HG13 
792  H  HG21 . ILE A 56  ? 0.64318 0.64318 0.64318 -0.00000 0.00000  -0.00000 375 ILE A HG21 
793  H  HG22 . ILE A 56  ? 0.64318 0.64318 0.64318 -0.00000 0.00000  -0.00000 375 ILE A HG22 
794  H  HG23 . ILE A 56  ? 0.64318 0.64318 0.64318 -0.00000 0.00000  -0.00000 375 ILE A HG23 
795  H  HD11 . ILE A 56  ? 0.87704 0.87704 0.87704 -0.00000 -0.00000 -0.00000 375 ILE A HD11 
796  H  HD12 . ILE A 56  ? 0.87704 0.87704 0.87704 -0.00000 -0.00000 -0.00000 375 ILE A HD12 
797  H  HD13 . ILE A 56  ? 0.87704 0.87704 0.87704 -0.00000 -0.00000 -0.00000 375 ILE A HD13 
798  N  N    . VAL A 57  ? 0.45071 0.48607 0.18456 0.12656  0.03805  -0.01848 376 VAL A N    
799  C  CA   . VAL A 57  ? 0.62745 0.67364 0.37276 0.14651  0.02726  -0.01816 376 VAL A CA   
800  C  C    . VAL A 57  ? 0.66181 0.71301 0.42629 0.14995  0.01796  -0.03086 376 VAL A C    
801  O  O    . VAL A 57  ? 0.48742 0.55904 0.26737 0.15647  0.00424  -0.04364 376 VAL A O    
802  C  CB   . VAL A 57  ? 0.57932 0.59914 0.30660 0.16090  0.03578  -0.00160 376 VAL A CB   
803  C  CG1  . VAL A 57  ? 0.73744 0.78183 0.49433 0.17673  0.02747  -0.00581 376 VAL A CG1  
804  C  CG2  . VAL A 57  ? 0.66113 0.66853 0.35818 0.16756  0.03827  0.01211  376 VAL A CG2  
805  H  H    . VAL A 57  ? 0.45468 0.45468 0.45468 -0.00000 0.00000  0.00000  376 VAL A H    
806  H  HA   . VAL A 57  ? 0.67568 0.67568 0.67568 0.00000  0.00000  -0.00000 376 VAL A HA   
807  H  HB   . VAL A 57  ? 0.60017 0.60017 0.60017 -0.00000 -0.00000 0.00000  376 VAL A HB   
808  H  HG11 . VAL A 57  ? 0.81158 0.81158 0.81158 -0.00000 -0.00000 0.00000  376 VAL A HG11 
809  H  HG12 . VAL A 57  ? 0.81158 0.81158 0.81158 -0.00000 -0.00000 0.00000  376 VAL A HG12 
810  H  HG13 . VAL A 57  ? 0.81158 0.81158 0.81158 -0.00000 -0.00000 0.00000  376 VAL A HG13 
811  H  HG21 . VAL A 57  ? 0.68128 0.68128 0.68128 -0.00000 -0.00000 0.00000  376 VAL A HG21 
812  H  HG22 . VAL A 57  ? 0.68128 0.68128 0.68128 -0.00000 -0.00000 0.00000  376 VAL A HG22 
813  H  HG23 . VAL A 57  ? 0.68128 0.68128 0.68128 -0.00000 -0.00000 0.00000  376 VAL A HG23 
814  N  N    . GLN A 58  ? 0.53809 0.56144 0.29579 0.14252  0.02389  -0.02862 377 GLN A N    
815  C  CA   . GLN A 58  ? 0.49405 0.50509 0.25995 0.14282  0.01628  -0.03468 377 GLN A CA   
816  C  C    . GLN A 58  ? 0.40015 0.42466 0.17431 0.14692  -0.00202 -0.05246 377 GLN A C    
817  O  O    . GLN A 58  ? 0.56544 0.58133 0.35148 0.14946  -0.01347 -0.05963 377 GLN A O    
818  C  CB   . GLN A 58  ? 0.49458 0.46476 0.23423 0.13716  0.02502  -0.02734 377 GLN A CB   
819  C  CG   . GLN A 58  ? 0.49749 0.44179 0.23611 0.13515  0.02309  -0.02452 377 GLN A CG   
820  C  CD   . GLN A 58  ? 0.56066 0.45992 0.25843 0.13206  0.03497  -0.01491 377 GLN A CD   
821  O  OE1  . GLN A 58  ? 0.57305 0.46384 0.25476 0.13240  0.05012  -0.01046 377 GLN A OE1  
822  N  NE2  . GLN A 58  ? 0.73346 0.59713 0.40448 0.13272  0.02381  -0.01392 377 GLN A NE2  
823  H  H    . GLN A 58  ? 0.56427 0.56427 0.56427 0.00000  -0.00000 0.00000  377 GLN A H    
824  H  HA   . GLN A 58  ? 0.50978 0.50978 0.50978 -0.00000 -0.00000 -0.00000 377 GLN A HA   
825  H  HB2  . GLN A 58  ? 0.48357 0.48357 0.48357 0.00000  0.00000  0.00000  377 GLN A HB2  
826  H  HB3  . GLN A 58  ? 0.48357 0.48357 0.48357 0.00000  0.00000  0.00000  377 GLN A HB3  
827  H  HG2  . GLN A 58  ? 0.47629 0.47629 0.47629 -0.00000 -0.00000 -0.00000 377 GLN A HG2  
828  H  HG3  . GLN A 58  ? 0.47629 0.47629 0.47629 -0.00000 -0.00000 -0.00000 377 GLN A HG3  
829  H  HE21 . GLN A 58  ? 0.70017 0.70017 0.70017 0.00000  -0.00000 0.00000  377 GLN A HE21 
830  H  HE22 . GLN A 58  ? 0.70017 0.70017 0.70017 0.00000  -0.00000 0.00000  377 GLN A HE22 
831  N  N    . THR A 59  ? 0.45233 0.49761 0.22708 0.14559  -0.00442 -0.06074 378 THR A N    
832  C  CA   . THR A 59  ? 0.43938 0.50929 0.23070 0.15705  -0.02049 -0.08122 378 THR A CA   
833  C  C    . THR A 59  ? 0.56115 0.64934 0.36430 0.16498  -0.02705 -0.09194 378 THR A C    
834  O  O    . THR A 59  ? 0.55228 0.63133 0.35882 0.17862  -0.04364 -0.10960 378 THR A O    
835  C  CB   . THR A 59  ? 0.49535 0.60535 0.29943 0.15136  -0.01590 -0.08964 378 THR A CB   
836  O  OG1  . THR A 59  ? 0.62790 0.72108 0.41709 0.14380  -0.01617 -0.08634 378 THR A OG1  
837  C  CG2  . THR A 59  ? 0.48191 0.62915 0.30998 0.17120  -0.03131 -0.11501 378 THR A CG2  
838  H  H    . THR A 59  ? 0.47695 0.47695 0.47695 0.00000  0.00000  0.00000  378 THR A H    
839  H  HA   . THR A 59  ? 0.47789 0.47789 0.47789 0.00000  -0.00000 0.00000  378 THR A HA   
840  H  HB   . THR A 59  ? 0.56620 0.56620 0.56620 0.00000  0.00000  0.00000  378 THR A HB   
841  H  HG1  . THR A 59  ? 0.71257 0.71257 0.71257 -0.00000 0.00000  0.00000  378 THR A HG1  
842  H  HG21 . THR A 59  ? 0.57456 0.57456 0.57456 0.00000  -0.00000 -0.00000 378 THR A HG21 
843  H  HG22 . THR A 59  ? 0.57456 0.57456 0.57456 0.00000  -0.00000 -0.00000 378 THR A HG22 
844  H  HG23 . THR A 59  ? 0.57456 0.57456 0.57456 0.00000  -0.00000 -0.00000 378 THR A HG23 
845  N  N    . LEU A 60  ? 0.48511 0.58804 0.28609 0.15889  -0.01743 -0.08205 379 LEU A N    
846  C  CA   . LEU A 60  ? 0.51075 0.63123 0.31521 0.16737  -0.02811 -0.09453 379 LEU A CA   
847  C  C    . LEU A 60  ? 0.52471 0.62595 0.33054 0.17092  -0.04259 -0.10322 379 LEU A C    
848  O  O    . LEU A 60  ? 0.45254 0.55188 0.26408 0.17603  -0.05983 -0.12430 379 LEU A O    
849  C  CB   . LEU A 60  ? 0.54163 0.67825 0.33232 0.16419  -0.01814 -0.08058 379 LEU A CB   
850  C  CG   . LEU A 60  ? 0.67236 0.82595 0.45473 0.15430  -0.00120 -0.07648 379 LEU A CG   
851  C  CD1  . LEU A 60  ? 0.70926 0.84884 0.45762 0.14724  0.01370  -0.05324 379 LEU A CD1  
852  C  CD2  . LEU A 60  ? 0.58991 0.77264 0.37614 0.16328  -0.00646 -0.09693 379 LEU A CD2  
853  H  H    . LEU A 60  ? 0.54984 0.54984 0.54984 0.00000  0.00000  -0.00000 379 LEU A H    
854  H  HA   . LEU A 60  ? 0.58902 0.58902 0.58902 0.00000  0.00000  0.00000  379 LEU A HA   
855  H  HB2  . LEU A 60  ? 0.62702 0.62702 0.62702 -0.00000 0.00000  0.00000  379 LEU A HB2  
856  H  HB3  . LEU A 60  ? 0.62702 0.62702 0.62702 -0.00000 0.00000  0.00000  379 LEU A HB3  
857  H  HG   . LEU A 60  ? 0.78736 0.78736 0.78736 0.00000  -0.00000 0.00000  379 LEU A HG   
858  H  HD11 . LEU A 60  ? 0.81243 0.81243 0.81243 0.00000  -0.00000 0.00000  379 LEU A HD11 
859  H  HD12 . LEU A 60  ? 0.81243 0.81243 0.81243 0.00000  -0.00000 0.00000  379 LEU A HD12 
860  H  HD13 . LEU A 60  ? 0.81243 0.81243 0.81243 0.00000  -0.00000 0.00000  379 LEU A HD13 
861  H  HD21 . LEU A 60  ? 0.70162 0.70162 0.70162 0.00000  -0.00000 0.00000  379 LEU A HD21 
862  H  HD22 . LEU A 60  ? 0.70162 0.70162 0.70162 0.00000  -0.00000 0.00000  379 LEU A HD22 
863  H  HD23 . LEU A 60  ? 0.70162 0.70162 0.70162 0.00000  -0.00000 0.00000  379 LEU A HD23 
864  N  N    . VAL A 61  ? 0.56880 0.65095 0.38486 0.15962  -0.03314 -0.08330 380 VAL A N    
865  C  CA   . VAL A 61  ? 0.56154 0.63101 0.40416 0.14818  -0.03975 -0.08472 380 VAL A CA   
866  C  C    . VAL A 61  ? 0.51479 0.53732 0.35306 0.14242  -0.04754 -0.09241 380 VAL A C    
867  O  O    . VAL A 61  ? 0.58086 0.58545 0.43373 0.13222  -0.06005 -0.10473 380 VAL A O    
868  C  CB   . VAL A 61  ? 0.42269 0.49197 0.27987 0.13944  -0.02101 -0.06366 380 VAL A CB   
869  C  CG1  . VAL A 61  ? 0.58847 0.65803 0.48289 0.12094  -0.02242 -0.06725 380 VAL A CG1  
870  C  CG2  . VAL A 61  ? 0.61131 0.71370 0.46796 0.15260  -0.01709 -0.05492 380 VAL A CG2  
871  H  H    . VAL A 61  ? 0.64799 0.64799 0.64799 0.00000  -0.00000 0.00000  380 VAL A H    
872  H  HA   . VAL A 61  ? 0.64482 0.64482 0.64482 -0.00000 0.00000  -0.00000 380 VAL A HA   
873  H  HB   . VAL A 61  ? 0.48395 0.48395 0.48395 -0.00000 0.00000  -0.00000 380 VAL A HB   
874  H  HG11 . VAL A 61  ? 0.69790 0.69790 0.69790 -0.00000 0.00000  0.00000  380 VAL A HG11 
875  H  HG12 . VAL A 61  ? 0.69790 0.69790 0.69790 -0.00000 0.00000  0.00000  380 VAL A HG12 
876  H  HG13 . VAL A 61  ? 0.69790 0.69790 0.69790 -0.00000 0.00000  0.00000  380 VAL A HG13 
877  H  HG21 . VAL A 61  ? 0.72333 0.72333 0.72333 -0.00000 0.00000  0.00000  380 VAL A HG21 
878  H  HG22 . VAL A 61  ? 0.72333 0.72333 0.72333 -0.00000 0.00000  0.00000  380 VAL A HG22 
879  H  HG23 . VAL A 61  ? 0.72333 0.72333 0.72333 -0.00000 0.00000  0.00000  380 VAL A HG23 
880  N  N    . HIS A 62  ? 0.45139 0.45037 0.26621 0.14963  -0.04331 -0.08631 381 HIS A N    
881  C  CA   . HIS A 62  ? 0.54999 0.49797 0.34821 0.15543  -0.05680 -0.09296 381 HIS A CA   
882  C  C    . HIS A 62  ? 0.63884 0.58595 0.44077 0.17022  -0.07862 -0.12176 381 HIS A C    
883  O  O    . HIS A 62  ? 0.64173 0.53475 0.43727 0.16698  -0.09199 -0.13006 381 HIS A O    
884  C  CB   . HIS A 62  ? 0.50255 0.44135 0.27722 0.16910  -0.05791 -0.08787 381 HIS A CB   
885  C  CG   . HIS A 62  ? 0.63178 0.51993 0.38530 0.18720  -0.07967 -0.09680 381 HIS A CG   
886  N  ND1  . HIS A 62  ? 0.69922 0.51041 0.42203 0.17842  -0.08083 -0.08034 381 HIS A ND1  
887  C  CD2  . HIS A 62  ? 0.69278 0.59371 0.44875 0.21648  -0.10012 -0.12028 381 HIS A CD2  
888  C  CE1  . HIS A 62  ? 0.83853 0.60662 0.53830 0.20503  -0.10586 -0.09148 381 HIS A CE1  
889  N  NE2  . HIS A 62  ? 0.72394 0.54924 0.44792 0.23145  -0.11924 -0.11787 381 HIS A NE2  
890  H  H    . HIS A 62  ? 0.47333 0.47333 0.47333 0.00000  0.00000  0.00000  381 HIS A H    
891  H  HA   . HIS A 62  ? 0.56461 0.56461 0.56461 0.00000  -0.00000 0.00000  381 HIS A HA   
892  H  HB2  . HIS A 62  ? 0.49459 0.49459 0.49459 -0.00000 0.00000  -0.00000 381 HIS A HB2  
893  H  HB3  . HIS A 62  ? 0.49459 0.49459 0.49459 -0.00000 0.00000  -0.00000 381 HIS A HB3  
894  H  HD1  . HIS A 62  ? 0.65880 0.65880 0.65880 0.00000  0.00000  -0.00000 381 HIS A HD1  
895  H  HD2  . HIS A 62  ? 0.70024 0.70024 0.70024 -0.00000 -0.00000 0.00000  381 HIS A HD2  
896  H  HE1  . HIS A 62  ? 0.79952 0.79952 0.79952 0.00000  0.00000  0.00000  381 HIS A HE1  
897  N  N    . LEU A 63  ? 0.67792 0.67898 0.48471 0.18495  -0.08008 -0.13818 382 LEU A N    
898  C  CA   . LEU A 63  ? 0.51550 0.51759 0.31865 0.20450  -0.09805 -0.17048 382 LEU A CA   
899  C  C    . LEU A 63  ? 0.53126 0.50905 0.34088 0.19040  -0.11217 -0.18391 382 LEU A C    
900  O  O    . LEU A 63  ? 0.71279 0.64243 0.51299 0.19788  -0.13062 -0.20595 382 LEU A O    
901  C  CB   . LEU A 63  ? 0.76160 0.83069 0.57903 0.21071  -0.08760 -0.17188 382 LEU A CB   
902  C  CG   . LEU A 63  ? 0.98120 1.08288 0.81091 0.21801  -0.07778 -0.16546 382 LEU A CG   
903  C  CD1  . LEU A 63  ? 0.87367 1.03306 0.71365 0.21493  -0.06255 -0.16625 382 LEU A CD1  
904  C  CD2  . LEU A 63  ? 0.85071 0.93175 0.68304 0.24472  -0.09760 -0.18333 382 LEU A CD2  
905  H  H    . LEU A 63  ? 0.74279 0.74279 0.74279 0.00000  0.00000  0.00000  382 LEU A H    
906  H  HA   . LEU A 63  ? 0.54684 0.54684 0.54684 0.00000  0.00000  0.00000  382 LEU A HA   
907  H  HB2  . LEU A 63  ? 0.87467 0.87467 0.87467 -0.00000 -0.00000 0.00000  382 LEU A HB2  
908  H  HB3  . LEU A 63  ? 0.87467 0.87467 0.87467 -0.00000 -0.00000 0.00000  382 LEU A HB3  
909  H  HG   . LEU A 63  ? 1.15614 1.15614 1.15614 -0.00000 0.00000  0.00000  382 LEU A HG   
910  H  HD11 . LEU A 63  ? 1.05430 1.05430 1.05430 -0.00000 -0.00000 -0.00000 382 LEU A HD11 
911  H  HD12 . LEU A 63  ? 1.05430 1.05430 1.05430 -0.00000 -0.00000 -0.00000 382 LEU A HD12 
912  H  HD13 . LEU A 63  ? 1.05430 1.05430 1.05430 -0.00000 -0.00000 -0.00000 382 LEU A HD13 
913  H  HD21 . LEU A 63  ? 0.99234 0.99234 0.99234 -0.00000 -0.00000 0.00000  382 LEU A HD21 
914  H  HD22 . LEU A 63  ? 0.99234 0.99234 0.99234 -0.00000 -0.00000 0.00000  382 LEU A HD22 
915  H  HD23 . LEU A 63  ? 0.99234 0.99234 0.99234 -0.00000 -0.00000 0.00000  382 LEU A HD23 
916  N  N    . LYS A 64  ? 0.67020 0.67748 0.49774 0.16979  -0.10507 -0.17077 383 LYS A N    
917  C  CA   . LYS A 64  ? 0.72211 0.72837 0.56954 0.15152  -0.12061 -0.18511 383 LYS A CA   
918  C  C    . LYS A 64  ? 0.66264 0.61309 0.52848 0.12128  -0.11968 -0.17631 383 LYS A C    
919  O  O    . LYS A 64  ? 0.79052 0.71187 0.66637 0.10479  -0.13733 -0.19760 383 LYS A O    
920  C  CB   . LYS A 64  ? 0.69263 0.76241 0.55732 0.14733  -0.11492 -0.17270 383 LYS A CB   
921  C  CG   . LYS A 64  ? 0.89986 1.00062 0.78372 0.13974  -0.13962 -0.19518 383 LYS A CG   
922  C  CD   . LYS A 64  ? 0.92228 1.02678 0.76887 0.16114  -0.15971 -0.22797 383 LYS A CD   
923  C  CE   . LYS A 64  ? 1.10164 1.23735 0.95681 0.15626  -0.19057 -0.25398 383 LYS A CE   
924  N  NZ   . LYS A 64  ? 1.18240 1.37539 1.03648 0.16783  -0.18861 -0.23351 383 LYS A NZ   
925  H  H    . LYS A 64  ? 0.74431 0.74431 0.74431 0.00000  0.00000  -0.00000 383 LYS A H    
926  H  HA   . LYS A 64  ? 0.81415 0.81415 0.81415 -0.00000 0.00000  0.00000  383 LYS A HA   
927  H  HB2  . LYS A 64  ? 0.81108 0.81108 0.81108 -0.00000 0.00000  -0.00000 383 LYS A HB2  
928  H  HB3  . LYS A 64  ? 0.81108 0.81108 0.81108 -0.00000 0.00000  -0.00000 383 LYS A HB3  
929  H  HG2  . LYS A 64  ? 1.07982 1.07982 1.07982 0.00000  0.00000  0.00000  383 LYS A HG2  
930  H  HG3  . LYS A 64  ? 1.07982 1.07982 1.07982 0.00000  0.00000  0.00000  383 LYS A HG3  
931  H  HD2  . LYS A 64  ? 1.09331 1.09331 1.09331 0.00000  -0.00000 -0.00000 383 LYS A HD2  
932  H  HD3  . LYS A 64  ? 1.09331 1.09331 1.09331 0.00000  -0.00000 -0.00000 383 LYS A HD3  
933  H  HE2  . LYS A 64  ? 1.32446 1.32446 1.32446 0.00000  0.00000  -0.00000 383 LYS A HE2  
934  H  HE3  . LYS A 64  ? 1.32446 1.32446 1.32446 0.00000  0.00000  -0.00000 383 LYS A HE3  
935  H  HZ1  . LYS A 64  ? 1.44385 1.44385 1.44385 0.00000  0.00000  0.00000  383 LYS A HZ1  
936  H  HZ2  . LYS A 64  ? 1.44385 1.44385 1.44385 0.00000  0.00000  0.00000  383 LYS A HZ2  
937  H  HZ3  . LYS A 64  ? 1.44385 1.44385 1.44385 0.00000  0.00000  0.00000  383 LYS A HZ3  
938  N  N    . PHE A 65  ? 0.70195 0.63275 0.56648 0.11120  -0.09714 -0.14528 384 PHE A N    
939  C  CA   . PHE A 65  ? 0.78794 0.66646 0.66143 0.07847  -0.08610 -0.13023 384 PHE A CA   
940  C  C    . PHE A 65  ? 0.80988 0.62061 0.63712 0.08840  -0.07668 -0.10923 384 PHE A C    
941  O  O    . PHE A 65  ? 0.82573 0.63508 0.64508 0.07967  -0.05280 -0.08227 384 PHE A O    
942  C  CB   . PHE A 65  ? 0.72693 0.66090 0.64412 0.05511  -0.06320 -0.11211 384 PHE A CB   
943  C  CG   . PHE A 65  ? 0.76221 0.77305 0.72751 0.05148  -0.07741 -0.13059 384 PHE A CG   
944  C  CD1  . PHE A 65  ? 0.83722 0.85234 0.84105 0.02241  -0.09453 -0.15317 384 PHE A CD1  
945  C  CD2  . PHE A 65  ? 0.74444 0.81736 0.71117 0.07726  -0.07717 -0.12616 384 PHE A CD2  
946  C  CE1  . PHE A 65  ? 0.83760 0.93015 0.88451 0.02306  -0.11578 -0.17363 384 PHE A CE1  
947  C  CE2  . PHE A 65  ? 0.69638 0.83507 0.69649 0.08126  -0.09639 -0.14161 384 PHE A CE2  
948  C  CZ   . PHE A 65  ? 0.67885 0.83313 0.72089 0.05605  -0.11769 -0.16636 384 PHE A CZ   
949  H  H    . PHE A 65  ? 0.76661 0.76661 0.76661 0.00000  0.00000  0.00000  384 PHE A H    
950  H  HA   . PHE A 65  ? 0.85247 0.85247 0.85247 -0.00000 -0.00000 0.00000  384 PHE A HA   
951  H  HB2  . PHE A 65  ? 0.81892 0.81892 0.81892 -0.00000 0.00000  -0.00000 384 PHE A HB2  
952  H  HB3  . PHE A 65  ? 0.81892 0.81892 0.81892 -0.00000 0.00000  -0.00000 384 PHE A HB3  
953  H  HD1  . PHE A 65  ? 1.01839 1.01839 1.01839 -0.00000 -0.00000 0.00000  384 PHE A HD1  
954  H  HD2  . PHE A 65  ? 0.91533 0.91533 0.91533 0.00000  0.00000  0.00000  384 PHE A HD2  
955  H  HE1  . PHE A 65  ? 1.06705 1.06705 1.06705 0.00000  0.00000  -0.00000 384 PHE A HE1  
956  H  HE2  . PHE A 65  ? 0.89732 0.89732 0.89732 -0.00000 0.00000  -0.00000 384 PHE A HE2  
957  H  HZ   . PHE A 65  ? 0.89929 0.89929 0.89929 0.00000  -0.00000 0.00000  384 PHE A HZ   
958  N  N    . PRO A 66  ? 0.66421 0.41785 0.45511 0.11287  -0.09750 -0.12297 385 PRO A N    
959  C  CA   . PRO A 66  ? 0.76617 0.47324 0.51269 0.13559  -0.09811 -0.10695 385 PRO A CA   
960  C  C    . PRO A 66  ? 0.90729 0.52768 0.61608 0.11263  -0.08440 -0.07706 385 PRO A C    
961  O  O    . PRO A 66  ? 0.92138 0.51313 0.58803 0.12940  -0.08238 -0.05822 385 PRO A O    
962  C  CB   . PRO A 66  ? 0.81115 0.49073 0.53942 0.17401  -0.12807 -0.13682 385 PRO A CB   
963  C  CG   . PRO A 66  ? 0.85375 0.51810 0.59763 0.15996  -0.13955 -0.16150 385 PRO A CG   
964  C  CD   . PRO A 66  ? 0.80646 0.54631 0.59618 0.12807  -0.12430 -0.15869 385 PRO A CD   
965  H  HA   . PRO A 66  ? 0.70698 0.70698 0.70698 -0.00000 0.00000  -0.00000 385 PRO A HA   
966  H  HB2  . PRO A 66  ? 0.74266 0.74266 0.74266 0.00000  -0.00000 -0.00000 385 PRO A HB2  
967  H  HB3  . PRO A 66  ? 0.74266 0.74266 0.74266 0.00000  -0.00000 -0.00000 385 PRO A HB3  
968  H  HG2  . PRO A 66  ? 0.79393 0.79393 0.79393 0.00000  0.00000  0.00000  385 PRO A HG2  
969  H  HG3  . PRO A 66  ? 0.79393 0.79393 0.79393 0.00000  0.00000  0.00000  385 PRO A HG3  
970  H  HD2  . PRO A 66  ? 0.78572 0.78572 0.78572 -0.00000 -0.00000 0.00000  385 PRO A HD2  
971  H  HD3  . PRO A 66  ? 0.78572 0.78572 0.78572 -0.00000 -0.00000 0.00000  385 PRO A HD3  
972  N  N    . THR A 67  ? 0.89915 0.47730 0.61953 0.07322  -0.07603 -0.07447 386 THR A N    
973  C  CA   . THR A 67  ? 1.13400 0.62501 0.81467 0.04233  -0.05500 -0.04374 386 THR A CA   
974  C  C    . THR A 67  ? 1.13495 0.68044 0.83659 0.01566  -0.01536 -0.01903 386 THR A C    
975  O  O    . THR A 67  ? 1.16909 0.65408 0.82132 0.00116  0.00831  0.01083  386 THR A O    
976  C  CB   . THR A 67  ? 1.18217 0.60710 0.87219 0.00178  -0.05720 -0.05223 386 THR A CB   
977  O  OG1  . THR A 67  ? 1.17341 0.69148 0.94439 -0.02808 -0.05248 -0.07325 386 THR A OG1  
978  C  CG2  . THR A 67  ? 1.16279 0.50856 0.81790 0.03052  -0.09468 -0.07673 386 THR A CG2  
979  H  H    . THR A 67  ? 0.80453 0.80453 0.80453 -0.00000 0.00000  0.00000  386 THR A H    
980  H  HA   . THR A 67  ? 1.03561 1.03561 1.03561 0.00000  -0.00000 0.00000  386 THR A HA   
981  H  HB   . THR A 67  ? 1.07072 1.07072 1.07072 0.00000  -0.00000 -0.00000 386 THR A HB   
982  H  HG21 . THR A 67  ? 1.00184 1.00184 1.00184 -0.00000 -0.00000 0.00000  386 THR A HG21 
983  H  HG22 . THR A 67  ? 1.00184 1.00184 1.00184 -0.00000 -0.00000 0.00000  386 THR A HG22 
984  H  HG23 . THR A 67  ? 1.00184 1.00184 1.00184 -0.00000 -0.00000 0.00000  386 THR A HG23 
985  N  N    . LYS A 68  ? 0.99186 0.64519 0.75762 0.01347  -0.00744 -0.03078 387 LYS A N    
986  C  CA   . LYS A 68  ? 0.99122 0.69922 0.78456 -0.00667 0.02996  -0.01275 387 LYS A CA   
987  C  C    . LYS A 68  ? 0.92162 0.66739 0.69369 0.02559  0.03686  -0.00415 387 LYS A C    
988  O  O    . LYS A 68  ? 1.08578 0.82657 0.83622 0.01847  0.06779  0.01635  387 LYS A O    
989  C  CB   . LYS A 68  ? 0.99696 0.79638 0.87733 -0.02846 0.03262  -0.03125 387 LYS A CB   
990  C  CG   . LYS A 68  ? 1.09606 0.86787 1.00922 -0.07072 0.02574  -0.04491 387 LYS A CG   
991  C  CD   . LYS A 68  ? 1.17994 1.05796 1.18488 -0.08826 0.01990  -0.06820 387 LYS A CD   
992  C  CE   . LYS A 68  ? 1.34501 1.19808 1.38794 -0.13725 0.00912  -0.08768 387 LYS A CE   
993  N  NZ   . LYS A 68  ? 1.28119 1.24887 1.41877 -0.15294 -0.00470 -0.11520 387 LYS A NZ   
994  H  H    . LYS A 68  ? 0.96401 0.96401 0.96401 -0.00000 0.00000  0.00000  387 LYS A H    
995  H  HA   . LYS A 68  ? 0.99615 0.99615 0.99615 -0.00000 -0.00000 0.00000  387 LYS A HA   
996  H  HB2  . LYS A 68  ? 1.07441 1.07441 1.07441 -0.00000 -0.00000 0.00000  387 LYS A HB2  
997  H  HB3  . LYS A 68  ? 1.07441 1.07441 1.07441 -0.00000 -0.00000 0.00000  387 LYS A HB3  
998  H  HG2  . LYS A 68  ? 1.19540 1.19540 1.19540 -0.00000 -0.00000 0.00000  387 LYS A HG2  
999  H  HG3  . LYS A 68  ? 1.19540 1.19540 1.19540 -0.00000 -0.00000 0.00000  387 LYS A HG3  
1000 H  HD2  . LYS A 68  ? 1.37526 1.37526 1.37526 0.00000  0.00000  0.00000  387 LYS A HD2  
1001 H  HD3  . LYS A 68  ? 1.37526 1.37526 1.37526 0.00000  0.00000  0.00000  387 LYS A HD3  
1002 H  HE2  . LYS A 68  ? 1.57855 1.57855 1.57855 -0.00000 0.00000  -0.00000 387 LYS A HE2  
1003 H  HE3  . LYS A 68  ? 1.57855 1.57855 1.57855 -0.00000 0.00000  -0.00000 387 LYS A HE3  
1004 H  HZ1  . LYS A 68  ? 1.58568 1.58568 1.58568 0.00000  -0.00000 -0.00000 387 LYS A HZ1  
1005 H  HZ2  . LYS A 68  ? 1.58568 1.58568 1.58568 0.00000  -0.00000 -0.00000 387 LYS A HZ2  
1006 H  HZ3  . LYS A 68  ? 1.58568 1.58568 1.58568 0.00000  -0.00000 -0.00000 387 LYS A HZ3  
1007 N  N    . VAL A 69  ? 0.75312 0.53391 0.52816 0.05812  0.01120  -0.02093 388 VAL A N    
1008 C  CA   . VAL A 69  ? 0.62369 0.44229 0.38678 0.08120  0.01619  -0.01697 388 VAL A CA   
1009 C  C    . VAL A 69  ? 0.81993 0.60797 0.54032 0.10868  -0.00847 -0.02281 388 VAL A C    
1010 O  O    . VAL A 69  ? 0.70181 0.49111 0.43035 0.12327  -0.03360 -0.04185 388 VAL A O    
1011 C  CB   . VAL A 69  ? 0.61771 0.51507 0.42844 0.08976  0.01188  -0.03077 388 VAL A CB   
1012 C  CG1  . VAL A 69  ? 0.67850 0.59775 0.47065 0.10875  0.01670  -0.02657 388 VAL A CG1  
1013 C  CG2  . VAL A 69  ? 0.69158 0.63289 0.55412 0.06973  0.02917  -0.02904 388 VAL A CG2  
1014 H  H    . VAL A 69  ? 0.73222 0.73222 0.73222 -0.00000 0.00000  0.00000  388 VAL A H    
1015 H  HA   . VAL A 69  ? 0.58725 0.58725 0.58725 -0.00000 0.00000  0.00000  388 VAL A HA   
1016 H  HB   . VAL A 69  ? 0.63063 0.63063 0.63063 0.00000  -0.00000 0.00000  388 VAL A HB   
1017 H  HG11 . VAL A 69  ? 0.70490 0.70490 0.70490 -0.00000 0.00000  -0.00000 388 VAL A HG11 
1018 H  HG12 . VAL A 69  ? 0.70490 0.70490 0.70490 -0.00000 0.00000  -0.00000 388 VAL A HG12 
1019 H  HG13 . VAL A 69  ? 0.70490 0.70490 0.70490 -0.00000 0.00000  -0.00000 388 VAL A HG13 
1020 H  HG21 . VAL A 69  ? 0.75758 0.75758 0.75758 0.00000  -0.00000 -0.00000 388 VAL A HG21 
1021 H  HG22 . VAL A 69  ? 0.75758 0.75758 0.75758 0.00000  -0.00000 -0.00000 388 VAL A HG22 
1022 H  HG23 . VAL A 69  ? 0.75758 0.75758 0.75758 0.00000  -0.00000 -0.00000 388 VAL A HG23 
1023 N  N    . SER A 70  ? 0.80458 0.57801 0.48576 0.11783  -0.00175 -0.01110 389 SER A N    
1024 C  CA   . SER A 70  ? 0.81237 0.57049 0.46049 0.14307  -0.02702 -0.01825 389 SER A CA   
1025 C  C    . SER A 70  ? 0.70630 0.53557 0.38879 0.15476  -0.03545 -0.03651 389 SER A C    
1026 O  O    . SER A 70  ? 0.60177 0.47199 0.30790 0.14485  -0.01760 -0.03465 389 SER A O    
1027 C  CB   . SER A 70  ? 0.88049 0.59742 0.46939 0.14516  -0.01964 -0.00177 389 SER A CB   
1028 O  OG   . SER A 70  ? 1.12243 0.75943 0.66278 0.14086  -0.01942 0.01510  389 SER A OG   
1029 H  H    . SER A 70  ? 0.75348 0.75348 0.75348 -0.00000 -0.00000 -0.00000 389 SER A H    
1030 H  HA   . SER A 70  ? 0.74348 0.74348 0.74348 -0.00000 -0.00000 0.00000  389 SER A HA   
1031 H  HB2  . SER A 70  ? 0.78506 0.78506 0.78506 -0.00000 0.00000  0.00000  389 SER A HB2  
1032 H  HB3  . SER A 70  ? 0.78506 0.78506 0.78506 -0.00000 0.00000  0.00000  389 SER A HB3  
1033 H  HG   . SER A 70  ? 1.02400 1.02400 1.02400 -0.00000 -0.00000 -0.00000 389 SER A HG   
1034 N  N    . LYS A 71  ? 0.74491 0.58277 0.42304 0.17686  -0.06128 -0.05181 390 LYS A N    
1035 C  CA   . LYS A 71  ? 0.83322 0.74224 0.54432 0.18275  -0.06500 -0.06957 390 LYS A CA   
1036 C  C    . LYS A 71  ? 0.79774 0.71489 0.49237 0.17265  -0.05673 -0.06329 390 LYS A C    
1037 O  O    . LYS A 71  ? 0.70163 0.56911 0.35353 0.16877  -0.05255 -0.04862 390 LYS A O    
1038 C  CB   . LYS A 71  ? 0.91665 0.84336 0.63663 0.21120  -0.09433 -0.09153 390 LYS A CB   
1039 C  CG   . LYS A 71  ? 1.05541 0.92338 0.73086 0.23147  -0.11935 -0.08587 390 LYS A CG   
1040 C  CD   . LYS A 71  ? 1.17132 0.96796 0.82146 0.24801  -0.13405 -0.08317 390 LYS A CD   
1041 C  CE   . LYS A 71  ? 1.31620 1.01744 0.89986 0.23831  -0.12931 -0.05353 390 LYS A CE   
1042 N  NZ   . LYS A 71  ? 1.24643 0.90228 0.82928 0.21079  -0.10664 -0.03992 390 LYS A NZ   
1043 H  H    . LYS A 71  ? 0.70643 0.70643 0.70643 0.00000  -0.00000 0.00000  390 LYS A H    
1044 H  HA   . LYS A 71  ? 0.85406 0.85406 0.85406 -0.00000 -0.00000 0.00000  390 LYS A HA   
1045 H  HB2  . LYS A 71  ? 0.96480 0.96480 0.96480 -0.00000 -0.00000 -0.00000 390 LYS A HB2  
1046 H  HB3  . LYS A 71  ? 0.96480 0.96480 0.96480 -0.00000 -0.00000 -0.00000 390 LYS A HB3  
1047 H  HG2  . LYS A 71  ? 1.09000 1.09000 1.09000 -0.00000 0.00000  -0.00000 390 LYS A HG2  
1048 H  HG3  . LYS A 71  ? 1.09000 1.09000 1.09000 -0.00000 0.00000  -0.00000 390 LYS A HG3  
1049 H  HD2  . LYS A 71  ? 1.19044 1.19044 1.19044 0.00000  -0.00000 -0.00000 390 LYS A HD2  
1050 H  HD3  . LYS A 71  ? 1.19044 1.19044 1.19044 0.00000  -0.00000 -0.00000 390 LYS A HD3  
1051 H  HE2  . LYS A 71  ? 1.29954 1.29954 1.29954 0.00000  0.00000  0.00000  390 LYS A HE2  
1052 H  HE3  . LYS A 71  ? 1.29954 1.29954 1.29954 0.00000  0.00000  0.00000  390 LYS A HE3  
1053 H  HZ1  . LYS A 71  ? 1.19734 1.19734 1.19734 0.00000  -0.00000 -0.00000 390 LYS A HZ1  
1054 H  HZ2  . LYS A 71  ? 1.19734 1.19734 1.19734 0.00000  -0.00000 -0.00000 390 LYS A HZ2  
1055 H  HZ3  . LYS A 71  ? 1.19734 1.19734 1.19734 0.00000  -0.00000 -0.00000 390 LYS A HZ3  
1056 N  N    . ALA A 72  ? 1.18244 1.15646 0.90525 0.16668  -0.05319 -0.07552 391 ALA A N    
1057 C  CA   . ALA A 72  ? 0.65690 0.63264 0.36543 0.15250  -0.04898 -0.07467 391 ALA A CA   
1058 C  C    . ALA A 72  ? 0.60468 0.57364 0.29875 0.16537  -0.07845 -0.08500 391 ALA A C    
1059 O  O    . ALA A 72  ? 0.82366 0.80285 0.52833 0.19005  -0.10307 -0.09630 391 ALA A O    
1060 C  CB   . ALA A 72  ? 0.85765 0.88833 0.59752 0.13569  -0.03620 -0.08412 391 ALA A CB   
1061 H  H    . ALA A 72  ? 1.30380 1.30380 1.30380 0.00000  0.00000  0.00000  391 ALA A H    
1062 H  HA   . ALA A 72  ? 0.66813 0.66813 0.66813 -0.00000 0.00000  0.00000  391 ALA A HA   
1063 H  HB1  . ALA A 72  ? 0.94354 0.94354 0.94354 0.00000  -0.00000 -0.00000 391 ALA A HB1  
1064 H  HB2  . ALA A 72  ? 0.94354 0.94354 0.94354 0.00000  -0.00000 -0.00000 391 ALA A HB2  
1065 H  HB3  . ALA A 72  ? 0.94354 0.94354 0.94354 0.00000  -0.00000 -0.00000 391 ALA A HB3  
1066 N  N    . CYS A 73  ? 0.68651 0.63515 0.35463 0.15165  -0.07851 -0.08276 392 CYS A N    
1067 C  CA   A CYS A 73  ? 0.67216 0.61095 0.32191 0.16314  -0.10894 -0.09109 392 CYS A CA   
1068 C  CA   B CYS A 73  ? 0.67843 0.61524 0.32657 0.16261  -0.10838 -0.09051 392 CYS A CA   
1069 C  C    . CYS A 73  ? 0.58459 0.57509 0.25507 0.14635  -0.12217 -0.11515 392 CYS A C    
1070 O  O    . CYS A 73  ? 0.83291 0.82261 0.49597 0.11982  -0.10211 -0.11765 392 CYS A O    
1071 C  CB   A CYS A 73  ? 0.82589 0.68736 0.41489 0.16240  -0.10194 -0.07030 392 CYS A CB   
1072 C  CB   B CYS A 73  ? 0.77196 0.63221 0.35967 0.15960  -0.09895 -0.06967 392 CYS A CB   
1073 S  SG   A CYS A 73  ? 1.09543 0.89568 0.64562 0.19121  -0.11628 -0.05485 392 CYS A SG   
1074 S  SG   B CYS A 73  ? 0.86981 0.70109 0.41631 0.17692  -0.13524 -0.07452 392 CYS A SG   
1075 H  H    A CYS A 73  ? 0.67665 0.67665 0.67665 -0.00000 0.00000  -0.00000 392 CYS A H    
1076 H  H    B CYS A 73  ? 0.67665 0.67665 0.67665 -0.00000 0.00000  -0.00000 392 CYS A H    
1077 H  HA   A CYS A 73  ? 0.64815 0.64815 0.64815 0.00000  0.00000  0.00000  392 CYS A HA   
1078 H  HA   B CYS A 73  ? 0.65424 0.65424 0.65424 0.00000  0.00000  -0.00000 392 CYS A HA   
1079 H  HB2  A CYS A 73  ? 0.77740 0.77740 0.77740 -0.00000 0.00000  -0.00000 392 CYS A HB2  
1080 H  HB2  B CYS A 73  ? 0.71168 0.71168 0.71168 -0.00000 0.00000  -0.00000 392 CYS A HB2  
1081 H  HB3  A CYS A 73  ? 0.77740 0.77740 0.77740 -0.00000 0.00000  -0.00000 392 CYS A HB3  
1082 H  HB3  B CYS A 73  ? 0.71168 0.71168 0.71168 -0.00000 0.00000  -0.00000 392 CYS A HB3  
1083 N  N    . CYS A 74  ? 0.35318 0.67715 0.39167 0.02549  -0.03470 -0.06489 393 CYS A N    
1084 C  CA   . CYS A 74  ? 0.47184 0.77621 0.47727 0.02194  -0.01842 -0.04301 393 CYS A CA   
1085 C  C    . CYS A 74  ? 0.47909 0.76409 0.48338 -0.00749 -0.00188 -0.02957 393 CYS A C    
1086 O  O    . CYS A 74  ? 0.53963 0.81896 0.55978 -0.03268 -0.00405 -0.02779 393 CYS A O    
1087 C  CB   . CYS A 74  ? 0.39141 0.69918 0.39782 0.02131  -0.02663 -0.04260 393 CYS A CB   
1088 S  SG   . CYS A 74  ? 0.46647 0.76880 0.44371 0.01061  -0.00673 -0.01950 393 CYS A SG   
1089 H  H    . CYS A 74  ? 0.57494 0.57494 0.57494 0.00000  0.00000  -0.00000 393 CYS A H    
1090 H  HA   . CYS A 74  ? 0.69627 0.69627 0.69627 -0.00000 0.00000  -0.00000 393 CYS A HA   
1091 H  HB2  . CYS A 74  ? 0.60151 0.60151 0.60151 0.00000  -0.00000 -0.00000 393 CYS A HB2  
1092 H  HB3  . CYS A 74  ? 0.60151 0.60151 0.60151 0.00000  -0.00000 -0.00000 393 CYS A HB3  
1093 N  N    . VAL A 75  ? 0.55917 0.82731 0.53743 -0.00326 0.01195  -0.01961 394 VAL A N    
1094 C  CA   . VAL A 75  ? 0.37926 0.62930 0.35281 -0.02524 0.02615  -0.01249 394 VAL A CA   
1095 C  C    . VAL A 75  ? 0.55489 0.76984 0.48776 -0.02735 0.03784  0.00639  394 VAL A C    
1096 O  O    . VAL A 75  ? 0.38308 0.58755 0.28792 -0.01055 0.03637  0.01462  394 VAL A O    
1097 C  CB   . VAL A 75  ? 0.45096 0.71837 0.44183 -0.01575 0.02708  -0.03113 394 VAL A CB   
1098 C  CG1  . VAL A 75  ? 0.48973 0.79463 0.52336 -0.02836 0.01886  -0.04799 394 VAL A CG1  
1099 C  CG2  . VAL A 75  ? 0.46195 0.72488 0.43432 0.02272  0.01953  -0.03849 394 VAL A CG2  
1100 H  H    . VAL A 75  ? 0.77571 0.77571 0.77571 -0.00000 0.00000  -0.00000 394 VAL A H    
1101 H  HA   . VAL A 75  ? 0.55069 0.55069 0.55069 0.00000  0.00000  -0.00000 394 VAL A HA   
1102 H  HB   . VAL A 75  ? 0.65061 0.65061 0.65061 0.00000  0.00000  0.00000  394 VAL A HB   
1103 H  HG11 . VAL A 75  ? 0.72923 0.72923 0.72923 -0.00000 -0.00000 -0.00000 394 VAL A HG11 
1104 H  HG12 . VAL A 75  ? 0.72923 0.72923 0.72923 -0.00000 -0.00000 -0.00000 394 VAL A HG12 
1105 H  HG13 . VAL A 75  ? 0.72923 0.72923 0.72923 -0.00000 -0.00000 -0.00000 394 VAL A HG13 
1106 H  HG21 . VAL A 75  ? 0.65460 0.65460 0.65460 0.00000  -0.00000 -0.00000 394 VAL A HG21 
1107 H  HG22 . VAL A 75  ? 0.65460 0.65460 0.65460 0.00000  -0.00000 -0.00000 394 VAL A HG22 
1108 H  HG23 . VAL A 75  ? 0.65460 0.65460 0.65460 0.00000  -0.00000 -0.00000 394 VAL A HG23 
1109 N  N    . PRO A 76  ? 0.41844 0.61179 0.34248 -0.05131 0.04900  0.01440  395 PRO A N    
1110 C  CA   . PRO A 76  ? 0.35251 0.50528 0.23773 -0.05622 0.05730  0.02911  395 PRO A CA   
1111 C  C    . PRO A 76  ? 0.44070 0.56801 0.30206 -0.02791 0.05328  0.02218  395 PRO A C    
1112 O  O    . PRO A 76  ? 0.42577 0.57274 0.30848 -0.01217 0.04981  0.00155  395 PRO A O    
1113 C  CB   . PRO A 76  ? 0.53656 0.67920 0.42529 -0.08658 0.06573  0.03139  395 PRO A CB   
1114 C  CG   . PRO A 76  ? 0.46304 0.63652 0.38414 -0.09900 0.06131  0.02544  395 PRO A CG   
1115 C  CD   . PRO A 76  ? 0.43451 0.63701 0.37985 -0.07800 0.05251  0.01044  395 PRO A CD   
1116 H  HA   . PRO A 76  ? 0.40856 0.40856 0.40856 -0.00000 0.00000  -0.00000 395 PRO A HA   
1117 H  HB2  . PRO A 76  ? 0.66256 0.66256 0.66256 0.00000  0.00000  0.00000  395 PRO A HB2  
1118 H  HB3  . PRO A 76  ? 0.66256 0.66256 0.66256 0.00000  0.00000  0.00000  395 PRO A HB3  
1119 H  HG2  . PRO A 76  ? 0.59962 0.59962 0.59962 -0.00000 0.00000  -0.00000 395 PRO A HG2  
1120 H  HG3  . PRO A 76  ? 0.59962 0.59962 0.59962 -0.00000 0.00000  -0.00000 395 PRO A HG3  
1121 H  HD2  . PRO A 76  ? 0.58669 0.58669 0.58669 -0.00000 0.00000  -0.00000 395 PRO A HD2  
1122 H  HD3  . PRO A 76  ? 0.58669 0.58669 0.58669 -0.00000 0.00000  -0.00000 395 PRO A HD3  
1123 N  N    . THR A 77  ? 0.52061 0.60969 0.33873 -0.02037 0.05143  0.03847  396 THR A N    
1124 C  CA   . THR A 77  ? 0.56264 0.61079 0.34566 0.00970  0.04104  0.03536  396 THR A CA   
1125 C  C    . THR A 77  ? 0.62883 0.60837 0.36600 -0.00465 0.04368  0.04942  396 THR A C    
1126 O  O    . THR A 77  ? 0.71640 0.64740 0.42128 0.02042  0.03161  0.04380  396 THR A O    
1127 C  CB   . THR A 77  ? 0.60865 0.65345 0.36364 0.03239  0.03089  0.04477  396 THR A CB   
1128 O  OG1  . THR A 77  ? 0.52473 0.56466 0.25714 0.00375  0.04215  0.06962  396 THR A OG1  
1129 C  CG2  . THR A 77  ? 0.60287 0.70770 0.40079 0.05210  0.02291  0.02462  396 THR A CG2  
1130 H  H    . THR A 77  ? 0.59375 0.59375 0.59375 -0.00000 0.00000  -0.00000 396 THR A H    
1131 H  HA   . THR A 77  ? 0.61378 0.61378 0.61378 -0.00000 -0.00000 0.00000  396 THR A HA   
1132 H  HB   . THR A 77  ? 0.65644 0.65644 0.65644 0.00000  0.00000  0.00000  396 THR A HB   
1133 H  HG1  . THR A 77  ? 0.52452 0.52452 0.52452 0.00000  0.00000  -0.00000 396 THR A HG1  
1134 H  HG21 . THR A 77  ? 0.69068 0.69068 0.69068 0.00000  0.00000  -0.00000 396 THR A HG21 
1135 H  HG22 . THR A 77  ? 0.69068 0.69068 0.69068 0.00000  0.00000  -0.00000 396 THR A HG22 
1136 H  HG23 . THR A 77  ? 0.69068 0.69068 0.69068 0.00000  0.00000  -0.00000 396 THR A HG23 
1137 N  N    . LYS A 78  ? 0.57095 0.54364 0.30449 -0.04333 0.05577  0.06554  397 LYS A N    
1138 C  CA   . LYS A 78  ? 0.75202 0.66124 0.44796 -0.06189 0.05664  0.07457  397 LYS A CA   
1139 C  C    . LYS A 78  ? 0.65977 0.59613 0.38384 -0.09732 0.06832  0.07440  397 LYS A C    
1140 O  O    . LYS A 78  ? 0.52996 0.51622 0.28371 -0.11296 0.07437  0.08004  397 LYS A O    
1141 C  CB   . LYS A 78  ? 0.80485 0.65747 0.44395 -0.07813 0.05470  0.10367  397 LYS A CB   
1142 C  CG   . LYS A 78  ? 0.90164 0.67139 0.49428 -0.09827 0.04989  0.11254  397 LYS A CG   
1143 C  CD   . LYS A 78  ? 1.09764 0.81332 0.63355 -0.12636 0.04944  0.14528  397 LYS A CD   
1144 C  CE   . LYS A 78  ? 1.22924 0.85001 0.71404 -0.14742 0.03952  0.15393  397 LYS A CE   
1145 N  NZ   . LYS A 78  ? 1.29683 0.85586 0.72592 -0.16452 0.03210  0.18261  397 LYS A NZ   
1146 H  H    . LYS A 78  ? 0.57377 0.57377 0.57377 0.00000  -0.00000 -0.00000 397 LYS A H    
1147 H  HA   . LYS A 78  ? 0.75063 0.75063 0.75063 -0.00000 0.00000  0.00000  397 LYS A HA   
1148 H  HB2  . LYS A 78  ? 0.76865 0.76865 0.76865 -0.00000 -0.00000 -0.00000 397 LYS A HB2  
1149 H  HB3  . LYS A 78  ? 0.76865 0.76865 0.76865 -0.00000 -0.00000 -0.00000 397 LYS A HB3  
1150 H  HG2  . LYS A 78  ? 0.83307 0.83307 0.83307 -0.00000 0.00000  0.00000  397 LYS A HG2  
1151 H  HG3  . LYS A 78  ? 0.83307 0.83307 0.83307 -0.00000 0.00000  0.00000  397 LYS A HG3  
1152 H  HD2  . LYS A 78  ? 1.02395 1.02395 1.02395 -0.00000 -0.00000 -0.00000 397 LYS A HD2  
1153 H  HD3  . LYS A 78  ? 1.02395 1.02395 1.02395 -0.00000 -0.00000 -0.00000 397 LYS A HD3  
1154 H  HE2  . LYS A 78  ? 1.12346 1.12346 1.12346 0.00000  0.00000  -0.00000 397 LYS A HE2  
1155 H  HE3  . LYS A 78  ? 1.12346 1.12346 1.12346 0.00000  0.00000  -0.00000 397 LYS A HE3  
1156 H  HZ1  . LYS A 78  ? 1.15758 1.15758 1.15758 -0.00000 -0.00000 -0.00000 397 LYS A HZ1  
1157 H  HZ2  . LYS A 78  ? 1.15758 1.15758 1.15758 -0.00000 -0.00000 -0.00000 397 LYS A HZ2  
1158 H  HZ3  . LYS A 78  ? 1.15758 1.15758 1.15758 -0.00000 -0.00000 -0.00000 397 LYS A HZ3  
1159 N  N    . LEU A 79  ? 0.65616 0.55690 0.36693 -0.10558 0.06816  0.06580  398 LEU A N    
1160 C  CA   . LEU A 79  ? 0.57189 0.49106 0.30061 -0.13688 0.07598  0.06415  398 LEU A CA   
1161 C  C    . LEU A 79  ? 0.68343 0.53982 0.37165 -0.16253 0.07348  0.07454  398 LEU A C    
1162 O  O    . LEU A 79  ? 0.86551 0.65607 0.51081 -0.15207 0.06440  0.07788  398 LEU A O    
1163 C  CB   . LEU A 79  ? 0.70117 0.64961 0.45450 -0.12387 0.07909  0.03857  398 LEU A CB   
1164 C  CG   . LEU A 79  ? 0.54617 0.55566 0.34114 -0.10694 0.08053  0.02761  398 LEU A CG   
1165 C  CD1  . LEU A 79  ? 0.66201 0.69851 0.47393 -0.09577 0.08538  0.00197  398 LEU A CD1  
1166 C  CD2  . LEU A 79  ? 0.51311 0.56276 0.33655 -0.12992 0.08270  0.03867  398 LEU A CD2  
1167 H  H    . LEU A 79  ? 0.63814 0.63814 0.63814 -0.00000 0.00000  0.00000  398 LEU A H    
1168 H  HA   . LEU A 79  ? 0.55157 0.55157 0.55157 -0.00000 0.00000  0.00000  398 LEU A HA   
1169 H  HB2  . LEU A 79  ? 0.72825 0.72825 0.72825 -0.00000 0.00000  0.00000  398 LEU A HB2  
1170 H  HB3  . LEU A 79  ? 0.72825 0.72825 0.72825 -0.00000 0.00000  0.00000  398 LEU A HB3  
1171 H  HG   . LEU A 79  ? 0.58333 0.58333 0.58333 -0.00000 0.00000  -0.00000 398 LEU A HG   
1172 H  HD11 . LEU A 79  ? 0.73992 0.73992 0.73992 -0.00000 -0.00000 -0.00000 398 LEU A HD11 
1173 H  HD12 . LEU A 79  ? 0.73992 0.73992 0.73992 -0.00000 -0.00000 -0.00000 398 LEU A HD12 
1174 H  HD13 . LEU A 79  ? 0.73992 0.73992 0.73992 -0.00000 -0.00000 -0.00000 398 LEU A HD13 
1175 H  HD21 . LEU A 79  ? 0.57111 0.57111 0.57111 0.00000  -0.00000 0.00000  398 LEU A HD21 
1176 H  HD22 . LEU A 79  ? 0.57111 0.57111 0.57111 0.00000  -0.00000 0.00000  398 LEU A HD22 
1177 H  HD23 . LEU A 79  ? 0.57111 0.57111 0.57111 0.00000  -0.00000 0.00000  398 LEU A HD23 
1178 N  N    . SER A 80  ? 0.62395 0.49894 0.32430 -0.19747 0.07817  0.08201  399 SER A N    
1179 C  CA   . SER A 80  ? 0.68988 0.52221 0.37077 -0.22188 0.07161  0.08582  399 SER A CA   
1180 C  C    . SER A 80  ? 0.61805 0.45433 0.30326 -0.23439 0.07160  0.07028  399 SER A C    
1181 O  O    . SER A 80  ? 0.64081 0.53037 0.36268 -0.22769 0.07350  0.06042  399 SER A O    
1182 C  CB   . SER A 80  ? 0.73475 0.60755 0.45347 -0.23204 0.06638  0.09387  399 SER A CB   
1183 O  OG   . SER A 80  ? 0.90155 0.76858 0.60850 -0.22711 0.06852  0.10902  399 SER A OG   
1184 H  H    . SER A 80  ? 0.58502 0.58502 0.58502 0.00000  0.00000  0.00000  399 SER A H    
1185 H  HA   . SER A 80  ? 0.63929 0.63929 0.63929 -0.00000 0.00000  -0.00000 399 SER A HA   
1186 H  HB2  . SER A 80  ? 0.72445 0.72445 0.72445 -0.00000 0.00000  0.00000  399 SER A HB2  
1187 H  HB3  . SER A 80  ? 0.72445 0.72445 0.72445 -0.00000 0.00000  0.00000  399 SER A HB3  
1188 H  HG   . SER A 80  ? 0.91759 0.91759 0.91759 -0.00000 0.00000  -0.00000 399 SER A HG   
1189 N  N    . PRO A 81  ? 0.74822 0.52198 0.39165 -0.25467 0.06655  0.06850  400 PRO A N    
1190 C  CA   . PRO A 81  ? 0.86973 0.64692 0.51000 -0.26893 0.06624  0.05339  400 PRO A CA   
1191 C  C    . PRO A 81  ? 0.76985 0.59578 0.45124 -0.28077 0.05456  0.05333  400 PRO A C    
1192 O  O    . PRO A 81  ? 0.80370 0.65608 0.51184 -0.28180 0.04907  0.06325  400 PRO A O    
1193 C  CB   . PRO A 81  ? 0.78962 0.48325 0.38069 -0.26556 0.05505  0.04071  400 PRO A CB   
1194 C  CG   . PRO A 81  ? 0.99415 0.63455 0.55964 -0.27799 0.04790  0.06314  400 PRO A CG   
1195 C  CD   . PRO A 81  ? 0.83114 0.51876 0.42311 -0.26029 0.05684  0.07716  400 PRO A CD   
1196 H  HA   . PRO A 81  ? 0.81680 0.81680 0.81680 -0.00000 0.00000  0.00000  400 PRO A HA   
1197 H  HB2  . PRO A 81  ? 0.66757 0.66757 0.66757 0.00000  0.00000  0.00000  400 PRO A HB2  
1198 H  HB3  . PRO A 81  ? 0.66757 0.66757 0.66757 0.00000  0.00000  0.00000  400 PRO A HB3  
1199 H  HG2  . PRO A 81  ? 0.88148 0.88148 0.88148 -0.00000 0.00000  0.00000  400 PRO A HG2  
1200 H  HG3  . PRO A 81  ? 0.88148 0.88148 0.88148 -0.00000 0.00000  0.00000  400 PRO A HG3  
1201 H  HD2  . PRO A 81  ? 0.71535 0.71535 0.71535 -0.00000 0.00000  0.00000  400 PRO A HD2  
1202 H  HD3  . PRO A 81  ? 0.71535 0.71535 0.71535 -0.00000 0.00000  0.00000  400 PRO A HD3  
1203 N  N    . ILE A 82  ? 0.75326 0.59005 0.43104 -0.29006 0.05258  0.04177  401 ILE A N    
1204 C  CA   . ILE A 82  ? 0.73035 0.59115 0.42223 -0.30445 0.03968  0.04100  401 ILE A CA   
1205 C  C    . ILE A 82  ? 0.85957 0.67495 0.50432 -0.32724 0.03751  0.02921  401 ILE A C    
1206 O  O    . ILE A 82  ? 0.92902 0.70142 0.53428 -0.33016 0.04880  0.01972  401 ILE A O    
1207 C  CB   . ILE A 82  ? 0.73493 0.65506 0.46479 -0.29205 0.03477  0.04113  401 ILE A CB   
1208 C  CG1  . ILE A 82  ? 0.69422 0.61699 0.40906 -0.29032 0.03969  0.03133  401 ILE A CG1  
1209 C  CG2  . ILE A 82  ? 0.70217 0.65738 0.47112 -0.26952 0.03818  0.04946  401 ILE A CG2  
1210 C  CD1  . ILE A 82  ? 0.64605 0.60528 0.38035 -0.28668 0.02897  0.03383  401 ILE A CD1  
1211 H  H    . ILE A 82  ? 0.71588 0.71588 0.71588 -0.00000 0.00000  0.00000  401 ILE A H    
1212 H  HA   . ILE A 82  ? 0.70363 0.70363 0.70363 0.00000  -0.00000 0.00000  401 ILE A HA   
1213 H  HB   . ILE A 82  ? 0.74805 0.74805 0.74805 0.00000  0.00000  0.00000  401 ILE A HB   
1214 H  HG12 . ILE A 82  ? 0.69425 0.69425 0.69425 -0.00000 -0.00000 0.00000  401 ILE A HG12 
1215 H  HG13 . ILE A 82  ? 0.69425 0.69425 0.69425 -0.00000 -0.00000 0.00000  401 ILE A HG13 
1216 H  HG21 . ILE A 82  ? 0.73841 0.73841 0.73841 0.00000  0.00000  0.00000  401 ILE A HG21 
1217 H  HG22 . ILE A 82  ? 0.73841 0.73841 0.73841 0.00000  0.00000  0.00000  401 ILE A HG22 
1218 H  HG23 . ILE A 82  ? 0.73841 0.73841 0.73841 0.00000  0.00000  0.00000  401 ILE A HG23 
1219 H  HD11 . ILE A 82  ? 0.65881 0.65881 0.65881 0.00000  -0.00000 -0.00000 401 ILE A HD11 
1220 H  HD12 . ILE A 82  ? 0.65881 0.65881 0.65881 0.00000  -0.00000 -0.00000 401 ILE A HD12 
1221 H  HD13 . ILE A 82  ? 0.65881 0.65881 0.65881 0.00000  -0.00000 -0.00000 401 ILE A HD13 
1222 N  N    . SER A 83  ? 0.83991 0.66135 0.48410 -0.34534 0.02421  0.02900  402 SER A N    
1223 C  CA   . SER A 83  ? 0.90200 0.68467 0.50237 -0.36798 0.01879  0.01634  402 SER A CA   
1224 C  C    . SER A 83  ? 0.80587 0.62981 0.40917 -0.36828 0.01738  0.01280  402 SER A C    
1225 O  O    . SER A 83  ? 0.82040 0.69435 0.45947 -0.35974 0.00878  0.02214  402 SER A O    
1226 C  CB   . SER A 83  ? 0.94030 0.70593 0.53639 -0.38829 0.00359  0.01882  402 SER A CB   
1227 O  OG   . SER A 83  ? 0.98948 0.69972 0.56801 -0.39141 0.00352  0.02247  402 SER A OG   
1228 H  H    . SER A 83  ? 0.80028 0.80028 0.80028 -0.00000 0.00000  0.00000  402 SER A H    
1229 H  HA   . SER A 83  ? 0.84176 0.84176 0.84176 -0.00000 0.00000  -0.00000 402 SER A HA   
1230 H  HB2  . SER A 83  ? 0.87919 0.87919 0.87919 -0.00000 -0.00000 -0.00000 402 SER A HB2  
1231 H  HB3  . SER A 83  ? 0.87919 0.87919 0.87919 -0.00000 -0.00000 -0.00000 402 SER A HB3  
1232 H  HG   . SER A 83  ? 0.90903 0.90903 0.90903 -0.00000 -0.00000 -0.00000 402 SER A HG   
1233 N  N    . VAL A 84  ? 0.98336 0.78035 0.54307 -0.38054 0.02620  -0.00145 403 VAL A N    
1234 C  CA   . VAL A 84  ? 0.91522 0.74038 0.46016 -0.38941 0.02387  -0.00292 403 VAL A CA   
1235 C  C    . VAL A 84  ? 0.96202 0.75424 0.45667 -0.40115 0.01449  -0.02397 403 VAL A C    
1236 O  O    . VAL A 84  ? 0.99692 0.74430 0.46438 -0.39235 0.01528  -0.04508 403 VAL A O    
1237 C  CB   . VAL A 84  ? 0.84178 0.70141 0.39589 -0.36776 0.04091  -0.00429 403 VAL A CB   
1238 C  CG1  . VAL A 84  ? 0.86759 0.76516 0.48606 -0.33944 0.03739  0.00806  403 VAL A CG1  
1239 C  CG2  . VAL A 84  ? 0.93297 0.77575 0.45902 -0.34866 0.05976  -0.02794 403 VAL A CG2  
1240 H  H    . VAL A 84  ? 0.92885 0.92885 0.92885 0.00000  0.00000  0.00000  403 VAL A H    
1241 H  HA   . VAL A 84  ? 0.85244 0.85244 0.85244 -0.00000 -0.00000 0.00000  403 VAL A HA   
1242 H  HB   . VAL A 84  ? 0.78177 0.78177 0.78177 -0.00000 0.00000  -0.00000 403 VAL A HB   
1243 H  HG11 . VAL A 84  ? 0.85367 0.85367 0.85367 0.00000  0.00000  0.00000  403 VAL A HG11 
1244 H  HG12 . VAL A 84  ? 0.85367 0.85367 0.85367 0.00000  0.00000  0.00000  403 VAL A HG12 
1245 H  HG13 . VAL A 84  ? 0.85367 0.85367 0.85367 0.00000  0.00000  0.00000  403 VAL A HG13 
1246 H  HG21 . VAL A 84  ? 0.87324 0.87324 0.87324 0.00000  -0.00000 0.00000  403 VAL A HG21 
1247 H  HG22 . VAL A 84  ? 0.87324 0.87324 0.87324 0.00000  -0.00000 0.00000  403 VAL A HG22 
1248 H  HG23 . VAL A 84  ? 0.87324 0.87324 0.87324 0.00000  -0.00000 0.00000  403 VAL A HG23 
1249 N  N    . LEU A 85  ? 0.91352 0.72447 0.39439 -0.41817 0.00094  -0.01872 404 LEU A N    
1250 C  CA   . LEU A 85  ? 0.95909 0.75219 0.39723 -0.42165 -0.00614 -0.03446 404 LEU A CA   
1251 C  C    . LEU A 85  ? 1.11683 0.93882 0.54312 -0.40893 0.01191  -0.03518 404 LEU A C    
1252 O  O    . LEU A 85  ? 1.04645 0.89793 0.49624 -0.41188 0.00914  -0.01489 404 LEU A O    
1253 C  CB   . LEU A 85  ? 0.89676 0.69833 0.34478 -0.43576 -0.03075 -0.02201 404 LEU A CB   
1254 C  CG   . LEU A 85  ? 0.96161 0.73924 0.37165 -0.43907 -0.04270 -0.03927 404 LEU A CG   
1255 C  CD1  . LEU A 85  ? 1.10804 0.83791 0.49879 -0.43503 -0.04165 -0.06412 404 LEU A CD1  
1256 C  CD2  . LEU A 85  ? 0.96781 0.76189 0.39351 -0.45007 -0.07014 -0.02769 404 LEU A CD2  
1257 H  H    . LEU A 85  ? 0.81909 0.81909 0.81909 -0.00000 -0.00000 -0.00000 404 LEU A H    
1258 H  HA   . LEU A 85  ? 0.84955 0.84955 0.84955 -0.00000 0.00000  0.00000  404 LEU A HA   
1259 H  HB2  . LEU A 85  ? 0.76107 0.76107 0.76107 -0.00000 -0.00000 0.00000  404 LEU A HB2  
1260 H  HB3  . LEU A 85  ? 0.76107 0.76107 0.76107 -0.00000 -0.00000 0.00000  404 LEU A HB3  
1261 H  HG   . LEU A 85  ? 0.83232 0.83232 0.83232 0.00000  -0.00000 0.00000  404 LEU A HG   
1262 H  HD11 . LEU A 85  ? 0.98404 0.98404 0.98404 0.00000  0.00000  0.00000  404 LEU A HD11 
1263 H  HD12 . LEU A 85  ? 0.98404 0.98404 0.98404 0.00000  0.00000  0.00000  404 LEU A HD12 
1264 H  HD13 . LEU A 85  ? 0.98404 0.98404 0.98404 0.00000  0.00000  0.00000  404 LEU A HD13 
1265 H  HD21 . LEU A 85  ? 0.81858 0.81858 0.81858 -0.00000 -0.00000 0.00000  404 LEU A HD21 
1266 H  HD22 . LEU A 85  ? 0.81858 0.81858 0.81858 -0.00000 -0.00000 0.00000  404 LEU A HD22 
1267 H  HD23 . LEU A 85  ? 0.81858 0.81858 0.81858 -0.00000 -0.00000 0.00000  404 LEU A HD23 
1268 N  N    . TYR A 86  ? 1.19148 1.00651 0.59148 -0.39169 0.02849  -0.06053 405 TYR A N    
1269 C  CA   . TYR A 86  ? 1.19429 1.04960 0.59661 -0.37772 0.05057  -0.06518 405 TYR A CA   
1270 C  C    . TYR A 86  ? 1.24525 1.09782 0.60363 -0.37331 0.05262  -0.08772 405 TYR A C    
1271 O  O    . TYR A 86  ? 1.33130 1.14474 0.65915 -0.37212 0.03887  -0.10724 405 TYR A O    
1272 C  CB   . TYR A 86  ? 1.26589 1.13925 0.68854 -0.35327 0.07332  -0.07884 405 TYR A CB   
1273 C  CG   . TYR A 86  ? 1.30514 1.15429 0.69549 -0.32894 0.08003  -0.11799 405 TYR A CG   
1274 C  CD1  . TYR A 86  ? 1.17429 0.96081 0.54756 -0.32516 0.06494  -0.13080 405 TYR A CD1  
1275 C  CD2  . TYR A 86  ? 1.28481 1.17072 0.66265 -0.30899 0.09762  -0.14374 405 TYR A CD2  
1276 C  CE1  . TYR A 86  ? 1.31607 1.06492 0.66007 -0.29754 0.06331  -0.16932 405 TYR A CE1  
1277 C  CE2  . TYR A 86  ? 1.39181 1.25643 0.74298 -0.27839 0.09908  -0.18549 405 TYR A CE2  
1278 C  CZ   . TYR A 86  ? 1.47493 1.26490 0.80857 -0.27057 0.07984  -0.19898 405 TYR A CZ   
1279 O  OH   . TYR A 86  ? 1.62811 1.37994 0.93400 -0.23630 0.07353  -0.24169 405 TYR A OH   
1280 H  H    . TYR A 86  ? 1.12193 1.12193 1.12193 -0.00000 0.00000  0.00000  405 TYR A H    
1281 H  HA   . TYR A 86  ? 1.14234 1.14234 1.14234 0.00000  -0.00000 -0.00000 405 TYR A HA   
1282 H  HB2  . TYR A 86  ? 1.24361 1.24361 1.24361 -0.00000 -0.00000 0.00000  405 TYR A HB2  
1283 H  HB3  . TYR A 86  ? 1.24361 1.24361 1.24361 -0.00000 -0.00000 0.00000  405 TYR A HB3  
1284 H  HD1  . TYR A 86  ? 1.07921 1.07921 1.07921 0.00000  -0.00000 0.00000  405 TYR A HD1  
1285 H  HD2  . TYR A 86  ? 1.25342 1.25342 1.25342 -0.00000 0.00000  0.00000  405 TYR A HD2  
1286 H  HE1  . TYR A 86  ? 1.22257 1.22257 1.22257 -0.00000 0.00000  -0.00000 405 TYR A HE1  
1287 H  HE2  . TYR A 86  ? 1.36263 1.36263 1.36263 0.00000  0.00000  -0.00000 405 TYR A HE2  
1288 H  HH   . TYR A 86  ? 1.58296 1.58296 1.58296 -0.00000 0.00000  0.00000  405 TYR A HH   
1289 N  N    . LYS A 87  ? 1.75261 1.64676 1.10891 -0.37168 0.06815  -0.08547 406 LYS A N    
1290 C  CA   . LYS A 87  ? 1.70081 1.60509 1.01429 -0.36598 0.07467  -0.10703 406 LYS A CA   
1291 C  C    . LYS A 87  ? 1.77200 1.70741 1.08417 -0.33655 0.09953  -0.14129 406 LYS A C    
1292 O  O    . LYS A 87  ? 1.72078 1.70064 1.06762 -0.32910 0.11947  -0.13803 406 LYS A O    
1293 C  CB   . LYS A 87  ? 1.58080 1.51275 0.88482 -0.38429 0.07701  -0.08516 406 LYS A CB   
1294 C  CG   . LYS A 87  ? 1.61291 1.51662 0.91589 -0.40697 0.04905  -0.05414 406 LYS A CG   
1295 C  CD   . LYS A 87  ? 1.81042 1.72175 1.07785 -0.42220 0.04570  -0.04061 406 LYS A CD   
1296 C  CE   . LYS A 87  ? 1.83685 1.78804 1.12039 -0.42713 0.06756  -0.03187 406 LYS A CE   
1297 N  NZ   . LYS A 87  ? 1.83430 1.78536 1.07428 -0.44697 0.06389  -0.01664 406 LYS A NZ   
1298 H  H    . LYS A 87  ? 1.80945 1.80945 1.80945 -0.00000 0.00000  -0.00000 406 LYS A H    
1299 H  HA   . LYS A 87  ? 1.73422 1.73422 1.73422 -0.00000 0.00000  0.00000  406 LYS A HA   
1300 H  HB2  . LYS A 87  ? 1.59749 1.59749 1.59749 0.00000  -0.00000 -0.00000 406 LYS A HB2  
1301 H  HB3  . LYS A 87  ? 1.59749 1.59749 1.59749 0.00000  -0.00000 -0.00000 406 LYS A HB3  
1302 H  HG2  . LYS A 87  ? 1.62431 1.62431 1.62431 -0.00000 0.00000  0.00000  406 LYS A HG2  
1303 H  HG3  . LYS A 87  ? 1.62431 1.62431 1.62431 -0.00000 0.00000  0.00000  406 LYS A HG3  
1304 H  HD2  . LYS A 87  ? 1.85015 1.85015 1.85015 0.00000  0.00000  -0.00000 406 LYS A HD2  
1305 H  HD3  . LYS A 87  ? 1.85015 1.85015 1.85015 0.00000  0.00000  -0.00000 406 LYS A HD3  
1306 H  HE2  . LYS A 87  ? 1.90425 1.90425 1.90425 -0.00000 -0.00000 0.00000  406 LYS A HE2  
1307 H  HE3  . LYS A 87  ? 1.90425 1.90425 1.90425 -0.00000 -0.00000 0.00000  406 LYS A HE3  
1308 H  HZ1  . LYS A 87  ? 1.88372 1.88372 1.88372 -0.00000 -0.00000 0.00000  406 LYS A HZ1  
1309 H  HZ2  . LYS A 87  ? 1.88372 1.88372 1.88372 -0.00000 -0.00000 0.00000  406 LYS A HZ2  
1310 H  HZ3  . LYS A 87  ? 1.88372 1.88372 1.88372 -0.00000 -0.00000 0.00000  406 LYS A HZ3  
1311 N  N    . ASP A 88  ? 1.51636 1.42973 0.79065 -0.31707 0.09516  -0.17724 407 ASP A N    
1312 C  CA   . ASP A 88  ? 1.58866 1.52669 0.86021 -0.27988 0.11268  -0.21784 407 ASP A CA   
1313 C  C    . ASP A 88  ? 1.72803 1.72844 0.98155 -0.27620 0.13382  -0.22849 407 ASP A C    
1314 O  O    . ASP A 88  ? 1.78099 1.79717 1.02401 -0.30544 0.13455  -0.20045 407 ASP A O    
1315 C  CB   . ASP A 88  ? 1.62231 1.49631 0.85869 -0.25676 0.09145  -0.25588 407 ASP A CB   
1316 C  CG   . ASP A 88  ? 1.71430 1.56643 0.90290 -0.26419 0.07504  -0.26718 407 ASP A CG   
1317 O  OD1  . ASP A 88  ? 1.89264 1.77739 1.06944 -0.28629 0.08055  -0.24529 407 ASP A OD1  
1318 O  OD2  . ASP A 88  ? 1.79667 1.59166 0.95853 -0.24744 0.05327  -0.29861 407 ASP A OD2  
1319 H  H    . ASP A 88  ? 1.50084 1.50084 1.50084 -0.00000 -0.00000 0.00000  407 ASP A H    
1320 H  HA   . ASP A 88  ? 1.59637 1.59637 1.59637 -0.00000 0.00000  0.00000  407 ASP A HA   
1321 H  HB2  . ASP A 88  ? 1.59707 1.59707 1.59707 0.00000  -0.00000 -0.00000 407 ASP A HB2  
1322 H  HB3  . ASP A 88  ? 1.59707 1.59707 1.59707 0.00000  -0.00000 -0.00000 407 ASP A HB3  
1323 N  N    . ASP A 89  ? 1.97958 2.01410 1.22755 -0.23960 0.14985  -0.26960 408 ASP A N    
1324 C  CA   . ASP A 89  ? 1.98065 2.08968 1.22265 -0.23782 0.17658  -0.27852 408 ASP A CA   
1325 C  C    . ASP A 89  ? 1.87753 1.98054 1.06825 -0.26106 0.17116  -0.26850 408 ASP A C    
1326 O  O    . ASP A 89  ? 1.85104 2.00303 1.03780 -0.28492 0.18894  -0.24974 408 ASP A O    
1327 C  CB   . ASP A 89  ? 2.02461 2.16192 1.26195 -0.18824 0.18877  -0.33189 408 ASP A CB   
1328 C  CG   . ASP A 89  ? 1.97264 2.11745 1.25872 -0.16045 0.19244  -0.34430 408 ASP A CG   
1329 O  OD1  . ASP A 89  ? 1.80334 1.97106 1.13598 -0.18271 0.19970  -0.31113 408 ASP A OD1  
1330 O  OD2  . ASP A 89  ? 2.01959 2.14060 1.29387 -0.11373 0.18481  -0.38889 408 ASP A OD2  
1331 H  H    . ASP A 89  ? 2.09463 2.09463 2.09463 -0.00000 0.00000  0.00000  408 ASP A H    
1332 H  HA   . ASP A 89  ? 2.12333 2.12333 2.12333 -0.00000 -0.00000 0.00000  408 ASP A HA   
1333 H  HB2  . ASP A 89  ? 2.18554 2.18554 2.18554 -0.00000 0.00000  0.00000  408 ASP A HB2  
1334 H  HB3  . ASP A 89  ? 2.18554 2.18554 2.18554 -0.00000 0.00000  0.00000  408 ASP A HB3  
1335 N  N    . MET A 90  ? 1.83360 1.87401 0.98285 -0.25624 0.14440  -0.28117 409 MET A N    
1336 C  CA   . MET A 90  ? 1.89278 1.92453 0.99051 -0.27528 0.13529  -0.27343 409 MET A CA   
1337 C  C    . MET A 90  ? 1.88398 1.88783 0.98798 -0.31739 0.11816  -0.22349 409 MET A C    
1338 O  O    . MET A 90  ? 2.06066 2.07312 1.13058 -0.33921 0.11690  -0.20502 409 MET A O    
1339 C  CB   . MET A 90  ? 2.02064 1.99954 1.07187 -0.25013 0.11021  -0.31316 409 MET A CB   
1340 C  CG   . MET A 90  ? 2.17765 2.17332 1.21054 -0.20119 0.12103  -0.36851 409 MET A CG   
1341 S  SD   . MET A 90  ? 2.39358 2.31244 1.36790 -0.17102 0.08309  -0.41771 409 MET A SD   
1342 C  CE   . MET A 90  ? 2.31744 2.25603 1.27082 -0.10952 0.10013  -0.47878 409 MET A CE   
1343 H  H    . MET A 90  ? 1.88232 1.88232 1.88232 -0.00000 0.00000  -0.00000 409 MET A H    
1344 H  HA   . MET A 90  ? 1.92927 1.92927 1.92927 -0.00000 0.00000  -0.00000 409 MET A HA   
1345 H  HB2  . MET A 90  ? 2.04296 2.04296 2.04296 0.00000  0.00000  0.00000  409 MET A HB2  
1346 H  HB3  . MET A 90  ? 2.04296 2.04296 2.04296 0.00000  0.00000  0.00000  409 MET A HB3  
1347 H  HG2  . MET A 90  ? 2.23075 2.23075 2.23075 0.00000  0.00000  0.00000  409 MET A HG2  
1348 H  HG3  . MET A 90  ? 2.23075 2.23075 2.23075 0.00000  0.00000  0.00000  409 MET A HG3  
1349 H  HE1  . MET A 90  ? 2.34386 2.34386 2.34386 0.00000  -0.00000 0.00000  409 MET A HE1  
1350 H  HE2  . MET A 90  ? 2.34386 2.34386 2.34386 0.00000  -0.00000 0.00000  409 MET A HE2  
1351 H  HE3  . MET A 90  ? 2.34386 2.34386 2.34386 0.00000  -0.00000 0.00000  409 MET A HE3  
1352 N  N    . GLY A 91  ? 1.88134 1.84999 1.02497 -0.32707 0.10351  -0.20253 410 GLY A N    
1353 C  CA   . GLY A 91  ? 1.88253 1.82503 1.03780 -0.36052 0.08428  -0.15842 410 GLY A CA   
1354 C  C    . GLY A 91  ? 1.90926 1.79135 1.06619 -0.36375 0.05289  -0.15872 410 GLY A C    
1355 O  O    . GLY A 91  ? 1.95660 1.81933 1.12960 -0.38608 0.03411  -0.12642 410 GLY A O    
1356 H  H    . GLY A 91  ? 1.90866 1.90866 1.90866 -0.00000 0.00000  0.00000  410 GLY A H    
1357 H  HA2  . GLY A 91  ? 1.90429 1.90429 1.90429 -0.00000 -0.00000 -0.00000 410 GLY A HA2  
1358 H  HA3  . GLY A 91  ? 1.90429 1.90429 1.90429 -0.00000 -0.00000 -0.00000 410 GLY A HA3  
1359 N  N    . VAL A 92  ? 1.90331 1.75568 1.04573 -0.34166 0.04507  -0.19561 411 VAL A N    
1360 C  CA   . VAL A 92  ? 1.90835 1.69924 1.05241 -0.34989 0.01295  -0.19786 411 VAL A CA   
1361 C  C    . VAL A 92  ? 1.72349 1.50202 0.91762 -0.36353 0.01000  -0.17011 411 VAL A C    
1362 O  O    . VAL A 92  ? 1.52626 1.32076 0.74631 -0.34968 0.02989  -0.17337 411 VAL A O    
1363 C  CB   . VAL A 92  ? 1.68750 1.43854 0.80795 -0.32323 0.00292  -0.24446 411 VAL A CB   
1364 C  CG1  . VAL A 92  ? 1.72978 1.41467 0.85868 -0.33770 -0.03011 -0.24410 411 VAL A CG1  
1365 C  CG2  . VAL A 92  ? 1.72903 1.49648 0.79799 -0.30602 0.00414  -0.27562 411 VAL A CG2  
1366 H  H    . VAL A 92  ? 1.88803 1.88803 1.88803 0.00000  0.00000  -0.00000 411 VAL A H    
1367 H  HA   . VAL A 92  ? 1.87014 1.87014 1.87014 -0.00000 -0.00000 0.00000  411 VAL A HA   
1368 H  HB   . VAL A 92  ? 1.57974 1.57974 1.57974 -0.00000 0.00000  0.00000  411 VAL A HB   
1369 H  HG11 . VAL A 92  ? 1.60740 1.60740 1.60740 -0.00000 0.00000  0.00000  411 VAL A HG11 
1370 H  HG12 . VAL A 92  ? 1.60740 1.60740 1.60740 -0.00000 0.00000  0.00000  411 VAL A HG12 
1371 H  HG13 . VAL A 92  ? 1.60740 1.60740 1.60740 -0.00000 0.00000  0.00000  411 VAL A HG13 
1372 H  HG21 . VAL A 92  ? 1.61554 1.61554 1.61554 -0.00000 0.00000  0.00000  411 VAL A HG21 
1373 H  HG22 . VAL A 92  ? 1.61554 1.61554 1.61554 -0.00000 0.00000  0.00000  411 VAL A HG22 
1374 H  HG23 . VAL A 92  ? 1.61554 1.61554 1.61554 -0.00000 0.00000  0.00000  411 VAL A HG23 
1375 N  N    . PRO A 93  ? 1.59723 1.35383 0.80705 -0.38736 -0.01457 -0.14532 412 PRO A N    
1376 C  CA   . PRO A 93  ? 1.58671 1.33614 0.84286 -0.39888 -0.01854 -0.12209 412 PRO A CA   
1377 C  C    . PRO A 93  ? 1.49971 1.20554 0.76418 -0.39010 -0.02200 -0.14145 412 PRO A C    
1378 O  O    . PRO A 93  ? 1.56143 1.22386 0.81191 -0.39389 -0.04341 -0.15742 412 PRO A O    
1379 C  CB   . PRO A 93  ? 1.57316 1.31608 0.84041 -0.42108 -0.04793 -0.10105 412 PRO A CB   
1380 C  CG   . PRO A 93  ? 1.68530 1.43710 0.91261 -0.42179 -0.05566 -0.10427 412 PRO A CG   
1381 C  CD   . PRO A 93  ? 1.79888 1.54427 0.98606 -0.40203 -0.04067 -0.13950 412 PRO A CD   
1382 H  HA   . PRO A 93  ? 1.51243 1.51243 1.51243 0.00000  -0.00000 0.00000  412 PRO A HA   
1383 H  HB2  . PRO A 93  ? 1.49800 1.49800 1.49800 0.00000  -0.00000 0.00000  412 PRO A HB2  
1384 H  HB3  . PRO A 93  ? 1.49800 1.49800 1.49800 0.00000  -0.00000 0.00000  412 PRO A HB3  
1385 H  HG2  . PRO A 93  ? 1.62015 1.62015 1.62015 0.00000  0.00000  0.00000  412 PRO A HG2  
1386 H  HG3  . PRO A 93  ? 1.62015 1.62015 1.62015 0.00000  0.00000  0.00000  412 PRO A HG3  
1387 H  HD2  . PRO A 93  ? 1.73782 1.73782 1.73782 -0.00000 0.00000  -0.00000 412 PRO A HD2  
1388 H  HD3  . PRO A 93  ? 1.73782 1.73782 1.73782 -0.00000 0.00000  -0.00000 412 PRO A HD3  
1389 N  N    . THR A 94  ? 1.23377 0.94745 0.52159 -0.37948 -0.00372 -0.13812 413 THR A N    
1390 C  CA   . THR A 94  ? 1.20830 0.87193 0.49567 -0.36636 -0.00688 -0.15699 413 THR A CA   
1391 C  C    . THR A 94  ? 1.10792 0.77039 0.43441 -0.37744 -0.00441 -0.13115 413 THR A C    
1392 O  O    . THR A 94  ? 1.14872 0.85867 0.49936 -0.37744 0.01185  -0.11241 413 THR A O    
1393 C  CB   . THR A 94  ? 1.37621 1.04729 0.64111 -0.32864 0.01220  -0.19292 413 THR A CB   
1394 O  OG1  . THR A 94  ? 1.54788 1.23207 0.77786 -0.31923 0.01073  -0.21622 413 THR A OG1  
1395 C  CG2  . THR A 94  ? 1.44996 1.05253 0.70427 -0.30631 0.00215  -0.21828 413 THR A CG2  
1396 H  H    . THR A 94  ? 1.08726 1.08726 1.08726 -0.00000 0.00000  -0.00000 413 THR A H    
1397 H  HA   . THR A 94  ? 1.03650 1.03650 1.03650 0.00000  0.00000  -0.00000 413 THR A HA   
1398 H  HB   . THR A 94  ? 1.23198 1.23198 1.23198 0.00000  0.00000  0.00000  413 THR A HB   
1399 H  HG1  . THR A 94  ? 1.42927 1.42927 1.42927 -0.00000 0.00000  -0.00000 413 THR A HG1  
1400 H  HG21 . THR A 94  ? 1.28885 1.28885 1.28885 0.00000  -0.00000 0.00000  413 THR A HG21 
1401 H  HG22 . THR A 94  ? 1.28885 1.28885 1.28885 0.00000  -0.00000 0.00000  413 THR A HG22 
1402 H  HG23 . THR A 94  ? 1.28885 1.28885 1.28885 0.00000  -0.00000 0.00000  413 THR A HG23 
1403 N  N    . LEU A 95  ? 1.22840 0.83626 0.56230 -0.38754 -0.02157 -0.12885 414 LEU A N    
1404 C  CA   . LEU A 95  ? 1.06460 0.66881 0.43483 -0.39803 -0.01985 -0.10462 414 LEU A CA   
1405 C  C    . LEU A 95  ? 1.13086 0.71630 0.50011 -0.36532 -0.00490 -0.11549 414 LEU A C    
1406 O  O    . LEU A 95  ? 1.24641 0.77509 0.58157 -0.34327 -0.01143 -0.14392 414 LEU A O    
1407 C  CB   . LEU A 95  ? 1.09567 0.65822 0.48051 -0.41766 -0.03956 -0.09166 414 LEU A CB   
1408 C  CG   . LEU A 95  ? 1.16251 0.73619 0.58905 -0.42406 -0.03294 -0.06213 414 LEU A CG   
1409 C  CD1  . LEU A 95  ? 0.98178 0.64043 0.45789 -0.43214 -0.02789 -0.03539 414 LEU A CD1  
1410 C  CD2  . LEU A 95  ? 1.10424 0.62331 0.52907 -0.43491 -0.04725 -0.05434 414 LEU A CD2  
1411 H  H    . LEU A 95  ? 1.05692 1.05692 1.05692 0.00000  -0.00000 -0.00000 414 LEU A H    
1412 H  HA   . LEU A 95  ? 0.84103 0.84103 0.84103 -0.00000 -0.00000 -0.00000 414 LEU A HA   
1413 H  HB2  . LEU A 95  ? 0.89442 0.89442 0.89442 0.00000  -0.00000 0.00000  414 LEU A HB2  
1414 H  HB3  . LEU A 95  ? 0.89442 0.89442 0.89442 0.00000  -0.00000 0.00000  414 LEU A HB3  
1415 H  HG   . LEU A 95  ? 1.00124 1.00124 1.00124 0.00000  0.00000  -0.00000 414 LEU A HG   
1416 H  HD11 . LEU A 95  ? 0.83818 0.83818 0.83818 -0.00000 0.00000  0.00000  414 LEU A HD11 
1417 H  HD12 . LEU A 95  ? 0.83818 0.83818 0.83818 -0.00000 0.00000  0.00000  414 LEU A HD12 
1418 H  HD13 . LEU A 95  ? 0.83818 0.83818 0.83818 -0.00000 0.00000  0.00000  414 LEU A HD13 
1419 H  HD21 . LEU A 95  ? 0.89091 0.89091 0.89091 0.00000  -0.00000 -0.00000 414 LEU A HD21 
1420 H  HD22 . LEU A 95  ? 0.89091 0.89091 0.89091 0.00000  -0.00000 -0.00000 414 LEU A HD22 
1421 H  HD23 . LEU A 95  ? 0.89091 0.89091 0.89091 0.00000  -0.00000 -0.00000 414 LEU A HD23 
1422 N  N    . LYS A 96  ? 1.05384 0.68877 0.46461 -0.35576 0.01237  -0.09353 415 LYS A N    
1423 C  CA   . LYS A 96  ? 1.09455 0.71971 0.51815 -0.32218 0.02358  -0.09721 415 LYS A CA   
1424 C  C    . LYS A 96  ? 0.97849 0.58367 0.43028 -0.33804 0.01690  -0.06632 415 LYS A C    
1425 O  O    . LYS A 96  ? 1.10234 0.76175 0.59492 -0.34708 0.02581  -0.04087 415 LYS A O    
1426 C  CB   . LYS A 96  ? 0.93681 0.63636 0.38448 -0.30143 0.04790  -0.09814 415 LYS A CB   
1427 C  CG   . LYS A 96  ? 1.06044 0.76193 0.53015 -0.26784 0.05674  -0.10063 415 LYS A CG   
1428 C  CD   . LYS A 96  ? 1.10853 0.74895 0.54539 -0.23457 0.04691  -0.13277 415 LYS A CD   
1429 C  CE   . LYS A 96  ? 1.05447 0.70566 0.51640 -0.19900 0.05303  -0.13333 415 LYS A CE   
1430 N  NZ   . LYS A 96  ? 1.24956 0.84019 0.67900 -0.15862 0.03903  -0.16725 415 LYS A NZ   
1431 H  H    . LYS A 96  ? 0.88903 0.88903 0.88903 -0.00000 -0.00000 -0.00000 415 LYS A H    
1432 H  HA   . LYS A 96  ? 0.93911 0.93911 0.93911 -0.00000 -0.00000 0.00000  415 LYS A HA   
1433 H  HB2  . LYS A 96  ? 0.78920 0.78920 0.78920 0.00000  -0.00000 -0.00000 415 LYS A HB2  
1434 H  HB3  . LYS A 96  ? 0.78920 0.78920 0.78920 0.00000  -0.00000 -0.00000 415 LYS A HB3  
1435 H  HG2  . LYS A 96  ? 0.94715 0.94715 0.94715 -0.00000 -0.00000 0.00000  415 LYS A HG2  
1436 H  HG3  . LYS A 96  ? 0.94715 0.94715 0.94715 -0.00000 -0.00000 0.00000  415 LYS A HG3  
1437 H  HD2  . LYS A 96  ? 0.96729 0.96729 0.96729 0.00000  -0.00000 -0.00000 415 LYS A HD2  
1438 H  HD3  . LYS A 96  ? 0.96729 0.96729 0.96729 0.00000  -0.00000 -0.00000 415 LYS A HD3  
1439 H  HE2  . LYS A 96  ? 0.91675 0.91675 0.91675 -0.00000 0.00000  0.00000  415 LYS A HE2  
1440 H  HE3  . LYS A 96  ? 0.91675 0.91675 0.91675 -0.00000 0.00000  0.00000  415 LYS A HE3  
1441 H  HZ1  . LYS A 96  ? 1.11364 1.11364 1.11364 -0.00000 0.00000  -0.00000 415 LYS A HZ1  
1442 H  HZ2  . LYS A 96  ? 1.11364 1.11364 1.11364 -0.00000 0.00000  -0.00000 415 LYS A HZ2  
1443 H  HZ3  . LYS A 96  ? 1.11364 1.11364 1.11364 -0.00000 0.00000  -0.00000 415 LYS A HZ3  
1444 N  N    . TYR A 97  ? 1.11625 0.64130 0.54220 -0.34290 0.00032  -0.06863 416 TYR A N    
1445 C  CA   . TYR A 97  ? 1.06028 0.56731 0.50383 -0.37293 -0.00598 -0.03699 416 TYR A CA   
1446 C  C    . TYR A 97  ? 1.00224 0.54405 0.47839 -0.35311 0.00935  -0.01639 416 TYR A C    
1447 O  O    . TYR A 97  ? 1.14372 0.73524 0.65704 -0.37304 0.01557  0.00961  416 TYR A O    
1448 C  CB   . TYR A 97  ? 1.22781 0.62923 0.62606 -0.38688 -0.02811 -0.04172 416 TYR A CB   
1449 C  CG   . TYR A 97  ? 1.15984 0.58080 0.58734 -0.40802 -0.03203 -0.00677 416 TYR A CG   
1450 C  CD1  . TYR A 97  ? 1.07580 0.57732 0.54741 -0.42805 -0.03106 0.00616  416 TYR A CD1  
1451 C  CD2  . TYR A 97  ? 1.17879 0.54014 0.58629 -0.40408 -0.03818 0.00808  416 TYR A CD2  
1452 C  CE1  . TYR A 97  ? 1.07595 0.60445 0.57470 -0.44493 -0.03339 0.02712  416 TYR A CE1  
1453 C  CE2  . TYR A 97  ? 1.30408 0.69274 0.73501 -0.42534 -0.03969 0.03388  416 TYR A CE2  
1454 C  CZ   . TYR A 97  ? 1.18291 0.65859 0.66167 -0.44608 -0.03575 0.04079  416 TYR A CZ   
1455 O  OH   . TYR A 97  ? 1.13812 0.64167 0.63877 -0.46826 -0.03594 0.05933  416 TYR A OH   
1456 H  H    . TYR A 97  ? 0.92604 0.92604 0.92604 -0.00000 0.00000  0.00000  416 TYR A H    
1457 H  HA   . TYR A 97  ? 0.85871 0.85871 0.85871 0.00000  -0.00000 0.00000  416 TYR A HA   
1458 H  HB2  . TYR A 97  ? 0.99938 0.99938 0.99938 -0.00000 0.00000  -0.00000 416 TYR A HB2  
1459 H  HB3  . TYR A 97  ? 0.99938 0.99938 0.99938 -0.00000 0.00000  -0.00000 416 TYR A HB3  
1460 H  HD1  . TYR A 97  ? 0.86046 0.86046 0.86046 -0.00000 -0.00000 0.00000  416 TYR A HD1  
1461 H  HD2  . TYR A 97  ? 0.90903 0.90903 0.90903 -0.00000 -0.00000 0.00000  416 TYR A HD2  
1462 H  HE1  . TYR A 97  ? 0.88697 0.88697 0.88697 -0.00000 -0.00000 -0.00000 416 TYR A HE1  
1463 H  HE2  . TYR A 97  ? 1.09888 1.09888 1.09888 0.00000  -0.00000 -0.00000 416 TYR A HE2  
1464 H  HH   . TYR A 97  ? 0.94319 0.94319 0.94319 -0.00000 0.00000  -0.00000 416 TYR A HH   
1465 N  N    . HIS A 98  ? 1.17083 0.69334 0.63547 -0.30978 0.01373  -0.03125 417 HIS A N    
1466 C  CA   . HIS A 98  ? 1.01448 0.56893 0.50708 -0.28653 0.02535  -0.01601 417 HIS A CA   
1467 C  C    . HIS A 98  ? 1.03883 0.66165 0.55584 -0.25250 0.04181  -0.03558 417 HIS A C    
1468 O  O    . HIS A 98  ? 0.99543 0.60312 0.49778 -0.21385 0.04141  -0.06265 417 HIS A O    
1469 C  CB   . HIS A 98  ? 1.12920 0.60008 0.58712 -0.26581 0.01186  -0.01380 417 HIS A CB   
1470 C  CG   . HIS A 98  ? 1.23726 0.64228 0.66914 -0.30771 -0.00151 0.01273  417 HIS A CG   
1471 N  ND1  . HIS A 98  ? 1.23118 0.68796 0.69463 -0.35087 0.00657  0.04006  417 HIS A ND1  
1472 C  CD2  . HIS A 98  ? 1.39930 0.69609 0.77768 -0.31375 -0.02282 0.01532  417 HIS A CD2  
1473 C  CE1  . HIS A 98  ? 1.31888 0.74265 0.76957 -0.36605 -0.00683 0.05351  417 HIS A CE1  
1474 N  NE2  . HIS A 98  ? 1.39416 0.70144 0.78228 -0.35651 -0.02435 0.04470  417 HIS A NE2  
1475 H  H    . HIS A 98  ? 1.00600 1.00600 1.00600 -0.00000 0.00000  0.00000  417 HIS A H    
1476 H  HA   . HIS A 98  ? 0.84234 0.84234 0.84234 -0.00000 0.00000  -0.00000 417 HIS A HA   
1477 H  HB2  . HIS A 98  ? 0.93270 0.93270 0.93270 -0.00000 0.00000  -0.00000 417 HIS A HB2  
1478 H  HB3  . HIS A 98  ? 0.93270 0.93270 0.93270 -0.00000 0.00000  -0.00000 417 HIS A HB3  
1479 H  HD2  . HIS A 98  ? 1.15537 1.15537 1.15537 0.00000  -0.00000 0.00000  417 HIS A HD2  
1480 H  HE1  . HIS A 98  ? 1.13858 1.13858 1.13858 -0.00000 -0.00000 0.00000  417 HIS A HE1  
1481 H  HE2  . HIS A 98  ? 1.15729 1.15729 1.15729 0.00000  0.00000  0.00000  417 HIS A HE2  
1482 N  N    . TYR A 99  ? 0.82192 0.52075 0.37624 -0.26748 0.05465  -0.02288 418 TYR A N    
1483 C  CA   . TYR A 99  ? 0.87391 0.63964 0.45267 -0.24657 0.07104  -0.03484 418 TYR A CA   
1484 C  C    . TYR A 99  ? 0.81364 0.60941 0.42714 -0.22905 0.07686  -0.02018 418 TYR A C    
1485 O  O    . TYR A 99  ? 0.86618 0.69653 0.50842 -0.24595 0.07876  0.00295  418 TYR A O    
1486 C  CB   . TYR A 99  ? 0.78043 0.59451 0.36844 -0.27402 0.07623  -0.02815 418 TYR A CB   
1487 C  CG   . TYR A 99  ? 0.86927 0.74084 0.46613 -0.26346 0.09308  -0.04198 418 TYR A CG   
1488 C  CD1  . TYR A 99  ? 0.93655 0.81397 0.51576 -0.23863 0.10260  -0.07443 418 TYR A CD1  
1489 C  CD2  . TYR A 99  ? 0.93438 0.85508 0.55556 -0.28025 0.09837  -0.02370 418 TYR A CD2  
1490 C  CE1  . TYR A 99  ? 1.04695 0.98924 0.63576 -0.23642 0.12179  -0.08704 418 TYR A CE1  
1491 C  CE2  . TYR A 99  ? 0.78128 0.75089 0.41464 -0.27608 0.11084  -0.03297 418 TYR A CE2  
1492 C  CZ   . TYR A 99  ? 0.94843 0.93468 0.55874 -0.26110 0.12825  -0.06349 418 TYR A CZ   
1493 O  OH   . TYR A 99  ? 1.20742 1.25117 0.84127 -0.25922 0.14006  -0.07140 418 TYR A OH   
1494 H  H    . TYR A 99  ? 0.69370 0.69370 0.69370 -0.00000 0.00000  -0.00000 418 TYR A H    
1495 H  HA   . TYR A 99  ? 0.79263 0.79263 0.79263 -0.00000 -0.00000 -0.00000 418 TYR A HA   
1496 H  HB2  . TYR A 99  ? 0.70349 0.70349 0.70349 -0.00000 0.00000  0.00000  418 TYR A HB2  
1497 H  HB3  . TYR A 99  ? 0.70349 0.70349 0.70349 -0.00000 0.00000  0.00000  418 TYR A HB3  
1498 H  HD1  . TYR A 99  ? 0.91265 0.91265 0.91265 0.00000  0.00000  0.00000  418 TYR A HD1  
1499 H  HD2  . TYR A 99  ? 0.94415 0.94415 0.94415 0.00000  -0.00000 0.00000  418 TYR A HD2  
1500 H  HE1  . TYR A 99  ? 1.07492 1.07492 1.07492 0.00000  0.00000  -0.00000 418 TYR A HE1  
1501 H  HE2  . TYR A 99  ? 0.78487 0.78487 0.78487 0.00000  -0.00000 -0.00000 418 TYR A HE2  
1502 H  HH   . TYR A 99  ? 1.32609 1.32609 1.32609 -0.00000 0.00000  -0.00000 418 TYR A HH   
1503 N  N    . GLU A 100 ? 0.80674 0.59011 0.41660 -0.19124 0.07690  -0.03734 419 GLU A N    
1504 C  CA   . GLU A 100 ? 0.77265 0.56751 0.40413 -0.16994 0.07658  -0.02630 419 GLU A CA   
1505 C  C    . GLU A 100 ? 0.73411 0.60849 0.41224 -0.17029 0.08929  -0.02000 419 GLU A C    
1506 O  O    . GLU A 100 ? 0.72694 0.65386 0.42245 -0.17421 0.10091  -0.03228 419 GLU A O    
1507 C  CB   . GLU A 100 ? 0.84573 0.60846 0.46004 -0.12332 0.06836  -0.05189 419 GLU A CB   
1508 C  CG   . GLU A 100 ? 0.97479 0.63926 0.53509 -0.12005 0.04918  -0.05816 419 GLU A CG   
1509 C  CD   . GLU A 100 ? 1.22054 0.81705 0.75418 -0.14683 0.03660  -0.02352 419 GLU A CD   
1510 O  OE1  . GLU A 100 ? 1.09831 0.72144 0.65217 -0.15524 0.04169  0.00267  419 GLU A OE1  
1511 O  OE2  . GLU A 100 ? 1.27940 0.79533 0.76887 -0.16124 0.02135  -0.02403 419 GLU A OE2  
1512 H  H    . GLU A 100 ? 0.73152 0.73152 0.73152 -0.00000 -0.00000 -0.00000 419 GLU A H    
1513 H  HA   . GLU A 100 ? 0.70386 0.70386 0.70386 0.00000  0.00000  0.00000  419 GLU A HA   
1514 H  HB2  . GLU A 100 ? 0.77183 0.77183 0.77183 0.00000  0.00000  -0.00000 419 GLU A HB2  
1515 H  HB3  . GLU A 100 ? 0.77183 0.77183 0.77183 0.00000  0.00000  -0.00000 419 GLU A HB3  
1516 H  HG2  . GLU A 100 ? 0.86580 0.86580 0.86580 0.00000  -0.00000 -0.00000 419 GLU A HG2  
1517 H  HG3  . GLU A 100 ? 0.86580 0.86580 0.86580 0.00000  -0.00000 -0.00000 419 GLU A HG3  
1518 N  N    . GLY A 101 ? 0.64855 0.52900 0.34358 -0.16673 0.08609  -0.00018 420 GLY A N    
1519 C  CA   . GLY A 101 ? 0.55777 0.50120 0.29417 -0.15832 0.09257  0.00205  420 GLY A CA   
1520 C  C    . GLY A 101 ? 0.60493 0.59084 0.36478 -0.18791 0.09712  0.01411  420 GLY A C    
1521 O  O    . GLY A 101 ? 0.81809 0.85105 0.60368 -0.18689 0.10325  0.00731  420 GLY A O    
1522 H  H    . GLY A 101 ? 0.61460 0.61460 0.61460 0.00000  -0.00000 0.00000  420 GLY A H    
1523 H  HA2  . GLY A 101 ? 0.54740 0.54740 0.54740 0.00000  0.00000  0.00000  420 GLY A HA2  
1524 H  HA3  . GLY A 101 ? 0.54740 0.54740 0.54740 0.00000  0.00000  0.00000  420 GLY A HA3  
1525 N  N    . MET A 102 ? 0.51618 0.48547 0.26991 -0.21249 0.09011  0.03056  421 MET A N    
1526 C  CA   . MET A 102 ? 0.62539 0.62423 0.41409 -0.21557 0.07612  0.03283  421 MET A CA   
1527 C  C    . MET A 102 ? 0.63974 0.65846 0.46038 -0.20599 0.06448  0.04389  421 MET A C    
1528 O  O    . MET A 102 ? 0.53895 0.57752 0.37828 -0.20633 0.05389  0.04504  421 MET A O    
1529 C  CB   . MET A 102 ? 0.62122 0.59804 0.38914 -0.23460 0.06852  0.03098  421 MET A CB   
1530 C  CG   . MET A 102 ? 0.60779 0.57212 0.34028 -0.24626 0.08102  0.01673  421 MET A CG   
1531 S  SD   . MET A 102 ? 0.65907 0.66689 0.41235 -0.24364 0.08292  0.01050  421 MET A SD   
1532 C  CE   . MET A 102 ? 0.61654 0.61915 0.37221 -0.25592 0.05891  0.02145  421 MET A CE   
1533 H  H    . MET A 102 ? 0.51477 0.51477 0.51477 -0.00000 0.00000  0.00000  421 MET A H    
1534 H  HA   . MET A 102 ? 0.67163 0.67163 0.67163 0.00000  0.00000  0.00000  421 MET A HA   
1535 H  HB2  . MET A 102 ? 0.64950 0.64950 0.64950 0.00000  0.00000  0.00000  421 MET A HB2  
1536 H  HB3  . MET A 102 ? 0.64950 0.64950 0.64950 0.00000  0.00000  0.00000  421 MET A HB3  
1537 H  HG2  . MET A 102 ? 0.61422 0.61422 0.61422 -0.00000 -0.00000 0.00000  421 MET A HG2  
1538 H  HG3  . MET A 102 ? 0.61422 0.61422 0.61422 -0.00000 -0.00000 0.00000  421 MET A HG3  
1539 H  HE1  . MET A 102 ? 0.64930 0.64930 0.64930 0.00000  0.00000  0.00000  421 MET A HE1  
1540 H  HE2  . MET A 102 ? 0.64930 0.64930 0.64930 0.00000  0.00000  0.00000  421 MET A HE2  
1541 H  HE3  . MET A 102 ? 0.64930 0.64930 0.64930 0.00000  0.00000  0.00000  421 MET A HE3  
1542 N  N    . SER A 103 ? 0.69476 0.70640 0.51356 -0.19936 0.06721  0.05193  422 SER A N    
1543 C  CA   . SER A 103 ? 0.52081 0.55502 0.36271 -0.19511 0.05984  0.06004  422 SER A CA   
1544 C  C    . SER A 103 ? 0.66712 0.70457 0.50512 -0.18226 0.06714  0.06698  422 SER A C    
1545 O  O    . SER A 103 ? 0.50489 0.50738 0.30962 -0.18287 0.07398  0.07178  422 SER A O    
1546 C  CB   . SER A 103 ? 0.70782 0.73135 0.54316 -0.21132 0.05414  0.06417  422 SER A CB   
1547 O  OG   . SER A 103 ? 1.13400 1.19355 0.99275 -0.21139 0.04916  0.06823  422 SER A OG   
1548 H  H    . SER A 103 ? 0.77203 0.77203 0.77203 0.00000  -0.00000 -0.00000 422 SER A H    
1549 H  HA   . SER A 103 ? 0.58156 0.58156 0.58156 0.00000  0.00000  0.00000  422 SER A HA   
1550 H  HB2  . SER A 103 ? 0.79907 0.79907 0.79907 -0.00000 -0.00000 -0.00000 422 SER A HB2  
1551 H  HB3  . SER A 103 ? 0.79907 0.79907 0.79907 -0.00000 -0.00000 -0.00000 422 SER A HB3  
1552 H  HG   . SER A 103 ? 1.33426 1.33426 1.33426 0.00000  0.00000  -0.00000 422 SER A HG   
1553 N  N    . VAL A 104 ? 0.52003 0.59395 0.38173 -0.17186 0.06444  0.06804  423 VAL A N    
1554 C  CA   . VAL A 104 ? 0.53545 0.61701 0.38748 -0.15844 0.07077  0.07409  423 VAL A CA   
1555 C  C    . VAL A 104 ? 0.49980 0.56708 0.33397 -0.16448 0.07377  0.08631  423 VAL A C    
1556 O  O    . VAL A 104 ? 0.66754 0.75730 0.51859 -0.17459 0.07097  0.08728  423 VAL A O    
1557 C  CB   . VAL A 104 ? 0.56383 0.69191 0.44147 -0.14736 0.06671  0.07006  423 VAL A CB   
1558 C  CG1  . VAL A 104 ? 0.49321 0.63392 0.35453 -0.13136 0.07201  0.07556  423 VAL A CG1  
1559 C  CG2  . VAL A 104 ? 0.49087 0.63221 0.38488 -0.14683 0.06315  0.06020  423 VAL A CG2  
1560 H  H    . VAL A 104 ? 0.60442 0.60442 0.60442 0.00000  0.00000  -0.00000 423 VAL A H    
1561 H  HA   . VAL A 104 ? 0.62211 0.62211 0.62211 0.00000  0.00000  -0.00000 423 VAL A HA   
1562 H  HB   . VAL A 104 ? 0.68502 0.68502 0.68502 0.00000  0.00000  -0.00000 423 VAL A HB   
1563 H  HG11 . VAL A 104 ? 0.59881 0.59881 0.59881 -0.00000 0.00000  0.00000  423 VAL A HG11 
1564 H  HG12 . VAL A 104 ? 0.59881 0.59881 0.59881 -0.00000 0.00000  0.00000  423 VAL A HG12 
1565 H  HG13 . VAL A 104 ? 0.59881 0.59881 0.59881 -0.00000 0.00000  0.00000  423 VAL A HG13 
1566 H  HG21 . VAL A 104 ? 0.60932 0.60932 0.60932 -0.00000 0.00000  -0.00000 423 VAL A HG21 
1567 H  HG22 . VAL A 104 ? 0.60932 0.60932 0.60932 -0.00000 0.00000  -0.00000 423 VAL A HG22 
1568 H  HG23 . VAL A 104 ? 0.60932 0.60932 0.60932 -0.00000 0.00000  -0.00000 423 VAL A HG23 
1569 N  N    . ALA A 105 ? 0.58956 0.61892 0.38355 -0.16072 0.07882  0.09626  424 ALA A N    
1570 C  CA   . ALA A 105 ? 0.63124 0.64575 0.40298 -0.16708 0.08148  0.11097  424 ALA A CA   
1571 C  C    . ALA A 105 ? 0.61951 0.66168 0.38359 -0.14852 0.08475  0.11589  424 ALA A C    
1572 O  O    . ALA A 105 ? 0.68848 0.74865 0.45252 -0.15508 0.08918  0.12305  424 ALA A O    
1573 C  CB   . ALA A 105 ? 0.57997 0.51821 0.29730 -0.17798 0.07961  0.12324  424 ALA A CB   
1574 H  H    . ALA A 105 ? 0.64295 0.64295 0.64295 -0.00000 -0.00000 -0.00000 424 ALA A H    
1575 H  HA   . ALA A 105 ? 0.67813 0.67813 0.67813 0.00000  0.00000  0.00000  424 ALA A HA   
1576 H  HB1  . ALA A 105 ? 0.52749 0.52749 0.52749 -0.00000 0.00000  -0.00000 424 ALA A HB1  
1577 H  HB2  . ALA A 105 ? 0.52749 0.52749 0.52749 -0.00000 0.00000  -0.00000 424 ALA A HB2  
1578 H  HB3  . ALA A 105 ? 0.52749 0.52749 0.52749 -0.00000 0.00000  -0.00000 424 ALA A HB3  
1579 N  N    . GLU A 106 ? 0.83812 0.88680 0.59084 -0.12694 0.08249  0.11088  425 GLU A N    
1580 C  CA   . GLU A 106 ? 0.56799 0.64534 0.30865 -0.10583 0.08162  0.11301  425 GLU A CA   
1581 C  C    . GLU A 106 ? 0.51667 0.62783 0.29823 -0.07538 0.07133  0.08885  425 GLU A C    
1582 O  O    . GLU A 106 ? 0.62395 0.71963 0.41995 -0.06977 0.06704  0.07637  425 GLU A O    
1583 C  CB   . GLU A 106 ? 0.79083 0.80837 0.47202 -0.09248 0.07638  0.12693  425 GLU A CB   
1584 C  CG   . GLU A 106 ? 0.87067 0.84780 0.52222 -0.12027 0.08285  0.14801  425 GLU A CG   
1585 C  CD   . GLU A 106 ? 1.22348 1.13109 0.80446 -0.11401 0.07530  0.16854  425 GLU A CD   
1586 O  OE1  . GLU A 106 ? 1.43138 1.30707 0.97822 -0.08089 0.06080  0.16412  425 GLU A OE1  
1587 O  OE2  . GLU A 106 ? 1.35870 1.24409 0.92716 -0.13755 0.08010  0.18426  425 GLU A OE2  
1588 H  H    . GLU A 106 ? 0.93245 0.93245 0.93245 0.00000  0.00000  0.00000  425 GLU A H    
1589 H  HA   . GLU A 106 ? 0.61494 0.61494 0.61494 0.00000  0.00000  0.00000  425 GLU A HA   
1590 H  HB2  . GLU A 106 ? 0.83463 0.83463 0.83463 0.00000  -0.00000 0.00000  425 GLU A HB2  
1591 H  HB3  . GLU A 106 ? 0.83463 0.83463 0.83463 0.00000  -0.00000 0.00000  425 GLU A HB3  
1592 H  HG2  . GLU A 106 ? 0.90242 0.90242 0.90242 -0.00000 -0.00000 0.00000  425 GLU A HG2  
1593 H  HG3  . GLU A 106 ? 0.90242 0.90242 0.90242 -0.00000 -0.00000 0.00000  425 GLU A HG3  
1594 N  N    . CYS A 107 ? 0.54433 0.70192 0.34139 -0.05758 0.06755  0.08132  426 CYS A N    
1595 C  CA   . CYS A 107 ? 0.41175 0.60293 0.24866 -0.03425 0.05525  0.05842  426 CYS A CA   
1596 C  C    . CYS A 107 ? 0.58378 0.77280 0.39776 -0.00154 0.04610  0.05388  426 CYS A C    
1597 O  O    . CYS A 107 ? 0.51592 0.69511 0.28854 -0.00062 0.05103  0.06933  426 CYS A O    
1598 C  CB   . CYS A 107 ? 0.61308 0.85392 0.48301 -0.03792 0.05258  0.04997  426 CYS A CB   
1599 S  SG   . CYS A 107 ? 1.11436 1.35803 1.01406 -0.06872 0.05379  0.05087  426 CYS A SG   
1600 H  H    . CYS A 107 ? 0.64120 0.64120 0.64120 0.00000  0.00000  -0.00000 426 CYS A H    
1601 H  HA   . CYS A 107 ? 0.51148 0.51148 0.51148 -0.00000 -0.00000 -0.00000 426 CYS A HA   
1602 H  HB2  . CYS A 107 ? 0.78614 0.78614 0.78614 0.00000  -0.00000 0.00000  426 CYS A HB2  
1603 H  HB3  . CYS A 107 ? 0.78614 0.78614 0.78614 0.00000  -0.00000 0.00000  426 CYS A HB3  
1604 N  N    . GLY A 108 ? 0.39231 0.59604 0.23232 0.02268  0.03219  0.03275  427 GLY A N    
1605 C  CA   . GLY A 108 ? 0.45751 0.66853 0.27940 0.05621  0.01929  0.02489  427 GLY A CA   
1606 C  C    . GLY A 108 ? 0.64928 0.89218 0.51984 0.07265  0.00361  -0.00342 427 GLY A C    
1607 O  O    . GLY A 108 ? 0.47615 0.72601 0.38341 0.05520  0.00595  -0.01175 427 GLY A O    
1608 H  H    . GLY A 108 ? 0.49021 0.49021 0.49021 0.00000  0.00000  0.00000  427 GLY A H    
1609 H  HA2  . GLY A 108 ? 0.56832 0.56832 0.56832 0.00000  0.00000  0.00000  427 GLY A HA2  
1610 H  HA3  . GLY A 108 ? 0.56832 0.56832 0.56832 0.00000  0.00000  0.00000  427 GLY A HA3  
1611 N  N    . CYS A 109 ? 0.51536 0.77611 0.38151 0.10356  -0.01255 -0.01739 428 CYS A N    
1612 C  CA   . CYS A 109 ? 0.37280 0.66810 0.28582 0.11677  -0.03010 -0.04600 428 CYS A CA   
1613 C  C    . CYS A 109 ? 0.47493 0.76355 0.39043 0.13614  -0.03777 -0.05683 428 CYS A C    
1614 O  O    . CYS A 109 ? 0.56356 0.81975 0.43208 0.15788  -0.04150 -0.04637 428 CYS A O    
1615 C  CB   . CYS A 109 ? 0.37863 0.70125 0.28823 0.14091  -0.04677 -0.06034 428 CYS A CB   
1616 S  SG   . CYS A 109 ? 0.50908 0.85176 0.43453 0.12357  -0.04320 -0.06129 428 CYS A SG   
1617 H  H    . CYS A 109 ? 0.67533 0.67533 0.67533 0.00000  -0.00000 -0.00000 428 CYS A H    
1618 H  HA   . CYS A 109 ? 0.53683 0.53683 0.53683 0.00000  0.00000  -0.00000 428 CYS A HA   
1619 H  HB2  . CYS A 109 ? 0.52117 0.52117 0.52117 -0.00000 -0.00000 0.00000  428 CYS A HB2  
1620 H  HB3  . CYS A 109 ? 0.52117 0.52117 0.52117 -0.00000 -0.00000 0.00000  428 CYS A HB3  
1621 N  N    . ARG A 110 ? 0.46304 0.77846 0.42879 0.12375  -0.03787 -0.07510 429 ARG A N    
1622 C  CA   . ARG A 110 ? 0.54638 0.87122 0.52391 0.14340  -0.04336 -0.09185 429 ARG A CA   
1623 C  C    . ARG A 110 ? 0.35009 0.73934 0.39050 0.14596  -0.05702 -0.12547 429 ARG A C    
1624 O  O    . ARG A 110 ? 0.37123 0.78557 0.42160 0.18119  -0.07431 -0.14800 429 ARG A O    
1625 C  CB   . ARG A 110 ? 0.49004 0.78945 0.46042 0.12338  -0.02418 -0.08167 429 ARG A CB   
1626 C  CG   . ARG A 110 ? 0.47382 0.70955 0.38299 0.12541  -0.01743 -0.05439 429 ARG A CG   
1627 C  CD   . ARG A 110 ? 0.47856 0.68029 0.34297 0.16639  -0.03510 -0.05411 429 ARG A CD   
1628 N  NE   . ARG A 110 ? 0.55328 0.68405 0.35324 0.15798  -0.02822 -0.02361 429 ARG A NE   
1629 C  CZ   . ARG A 110 ? 0.66242 0.76739 0.41610 0.14883  -0.02467 0.00283  429 ARG A CZ   
1630 N  NH1  . ARG A 110 ? 0.52957 0.67580 0.29474 0.14984  -0.02625 0.00071  429 ARG A NH1  
1631 N  NH2  . ARG A 110 ? 0.61148 0.65017 0.30590 0.13559  -0.01878 0.03055  429 ARG A NH2  
1632 O  OXT  . ARG A 110 ? 0.60636 1.02012 0.68424 0.11412  -0.05493 -0.13039 429 ARG A OXT  
1633 H  H    . ARG A 110 ? 0.67426 0.67426 0.67426 -0.00000 0.00000  -0.00000 429 ARG A H    
1634 H  HA   . ARG A 110 ? 0.78275 0.78275 0.78275 -0.00000 0.00000  -0.00000 429 ARG A HA   
1635 H  HB2  . ARG A 110 ? 0.70211 0.70211 0.70211 0.00000  -0.00000 0.00000  429 ARG A HB2  
1636 H  HB3  . ARG A 110 ? 0.70211 0.70211 0.70211 0.00000  -0.00000 0.00000  429 ARG A HB3  
1637 H  HG2  . ARG A 110 ? 0.63268 0.63268 0.63268 0.00000  0.00000  0.00000  429 ARG A HG2  
1638 H  HG3  . ARG A 110 ? 0.63268 0.63268 0.63268 0.00000  0.00000  0.00000  429 ARG A HG3  
1639 H  HD2  . ARG A 110 ? 0.57002 0.57002 0.57002 -0.00000 -0.00000 0.00000  429 ARG A HD2  
1640 H  HD3  . ARG A 110 ? 0.57002 0.57002 0.57002 -0.00000 -0.00000 0.00000  429 ARG A HD3  
1641 H  HE   . ARG A 110 ? 0.64237 0.64237 0.64237 -0.00000 0.00000  -0.00000 429 ARG A HE   
1642 H  HH11 . ARG A 110 ? 0.56933 0.56933 0.56933 0.00000  0.00000  -0.00000 429 ARG A HH11 
1643 H  HH12 . ARG A 110 ? 0.56933 0.56933 0.56933 0.00000  0.00000  -0.00000 429 ARG A HH12 
1644 H  HH21 . ARG A 110 ? 0.59764 0.59764 0.59764 0.00000  0.00000  0.00000  429 ARG A HH21 
1645 H  HH22 . ARG A 110 ? 0.59764 0.59764 0.59764 0.00000  0.00000  0.00000  429 ARG A HH22 
1646 C  C1   . GOL B .   ? 0.85922 0.57297 0.74386 -0.06685 0.04114  0.25235  501 GOL A C1   
1647 O  O1   . GOL B .   ? 0.92513 0.59605 0.80328 -0.04685 0.03620  0.24165  501 GOL A O1   
1648 C  C2   . GOL B .   ? 0.86582 0.56867 0.70738 -0.07339 0.04956  0.25309  501 GOL A C2   
1649 O  O2   . GOL B .   ? 0.92162 0.62881 0.66907 -0.05165 0.06106  0.28559  501 GOL A O2   
1650 C  C3   . GOL B .   ? 0.87402 0.58590 0.68558 -0.07254 0.04355  0.23897  501 GOL A C3   
1651 O  O3   . GOL B .   ? 0.88642 0.58734 0.74208 -0.05491 0.03630  0.26146  501 GOL A O3   
1652 H  H11  . GOL B .   ? 0.87656 0.87656 0.87656 -0.00000 0.00000  0.00000  501 GOL A H11  
1653 H  H12  . GOL B .   ? 0.87656 0.87656 0.87656 -0.00000 0.00000  0.00000  501 GOL A H12  
1654 H  HO1  . GOL B .   ? 0.93593 0.93593 0.93593 -0.00000 0.00000  -0.00000 501 GOL A HO1  
1655 H  H2   . GOL B .   ? 0.86289 0.86289 0.86289 -0.00000 0.00000  -0.00000 501 GOL A H2   
1656 H  HO2  . GOL B .   ? 0.89394 0.89394 0.89394 0.00000  0.00000  0.00000  501 GOL A HO2  
1657 H  H31  . GOL B .   ? 0.86434 0.86434 0.86434 0.00000  0.00000  0.00000  501 GOL A H31  
1658 H  H32  . GOL B .   ? 0.86434 0.86434 0.86434 0.00000  0.00000  0.00000  501 GOL A H32  
1659 H  HO3  . GOL B .   ? 0.89248 0.89248 0.89248 -0.00000 0.00000  -0.00000 501 GOL A HO3  
1660 C  C1   . GOL C .   ? 0.85292 0.89219 0.83393 -0.05375 0.08340  -0.00389 502 GOL A C1   
1661 O  O1   . GOL C .   ? 0.81925 0.99252 0.79715 0.01357  0.09969  -0.02733 502 GOL A O1   
1662 C  C2   . GOL C .   ? 0.87072 0.86130 0.87132 -0.06379 0.10375  0.01605  502 GOL A C2   
1663 O  O2   . GOL C .   ? 0.89664 0.83990 0.81095 -0.03645 0.12661  0.04151  502 GOL A O2   
1664 C  C3   . GOL C .   ? 0.89370 0.84746 0.79165 -0.07345 0.10940  -0.00540 502 GOL A C3   
1665 O  O3   . GOL C .   ? 0.99247 0.80217 0.89495 -0.06184 0.10173  -0.01827 502 GOL A O3   
1666 H  H11  . GOL C .   ? 1.03776 1.03776 1.03776 0.00000  0.00000  -0.00000 502 GOL A H11  
1667 H  H12  . GOL C .   ? 1.03776 1.03776 1.03776 0.00000  0.00000  -0.00000 502 GOL A H12  
1668 H  HO1  . GOL C .   ? 1.04971 1.04971 1.04971 -0.00000 -0.00000 0.00000  502 GOL A HO1  
1669 H  H2   . GOL C .   ? 1.04748 1.04748 1.04748 0.00000  -0.00000 -0.00000 502 GOL A H2   
1670 H  HO2  . GOL C .   ? 1.02514 1.02514 1.02514 -0.00000 0.00000  -0.00000 502 GOL A HO2  
1671 H  H31  . GOL C .   ? 1.01926 1.01926 1.01926 -0.00000 -0.00000 0.00000  502 GOL A H31  
1672 H  H32  . GOL C .   ? 1.01926 1.01926 1.01926 -0.00000 -0.00000 0.00000  502 GOL A H32  
1673 H  HO3  . GOL C .   ? 1.08198 1.08198 1.08198 -0.00000 -0.00000 -0.00000 502 GOL A HO3  
1674 CL CL   . CL  D .   ? 1.25642 1.03111 0.71162 -0.40370 0.31121  -0.31053 503 CL  A CL   
1675 CL CL   . CL  E .   ? 0.75878 0.71961 0.65058 0.20587  0.11341  0.04374  504 CL  A CL   
1676 CL CL   . CL  F .   ? 0.94735 0.94677 0.32742 0.01231  0.09389  -0.09393 505 CL  A CL   
1677 CL CL   . CL  G .   ? 1.45654 1.51738 0.66550 0.07720  0.15042  -0.05354 506 CL  A CL   
1678 CL CL   . CL  H .   ? 1.53320 1.72640 1.05380 0.34885  -0.46771 -0.04240 507 CL  A CL   
1679 CL CL   . CL  I .   ? 1.06762 0.67112 0.50983 -0.10720 -0.11010 -0.20485 508 CL  A CL   
1680 NA NA   . NA  J .   ? 0.69347 0.64400 0.90762 -0.00689 -0.03416 -0.00925 509 NA  A NA   
1681 NA NA   . NA  K .   ? 0.79510 1.14229 0.58157 -0.21300 -0.08893 0.22665  510 NA  A NA   
1682 NA NA   . NA  L .   ? 0.49845 0.50140 0.39690 -0.28037 -0.00594 -0.04630 511 NA  A NA   
1683 O  O    . HOH M .   ? 0.72823 0.76349 0.74407 -0.27393 0.32401  -0.25408 601 HOH A O    
1684 O  O    . HOH M .   ? 0.48018 0.71484 0.24309 0.12495  0.10446  -0.03234 602 HOH A O    
1685 O  O    . HOH M .   ? 0.09075 0.09184 0.19811 -0.02110 -0.03419 -0.03490 603 HOH A O    
1686 O  O    . HOH M .   ? 0.14525 0.26988 0.37139 -0.04031 -0.06750 0.15972  604 HOH A O    
1687 O  O    . HOH M .   ? 0.31554 0.45393 0.27489 0.17604  -0.09639 -0.00451 605 HOH A O    
1688 O  O    . HOH M .   ? 0.48521 0.63909 0.23747 0.16201  0.05502  0.06395  606 HOH A O    
1689 O  O    . HOH M .   ? 0.95459 0.66151 0.37463 -0.16794 -0.05447 0.00071  607 HOH A O    
1690 O  O    . HOH M .   ? 0.52532 0.48788 0.30391 -0.16828 -0.14764 -0.05689 608 HOH A O    
1691 O  O    . HOH M .   ? 0.15666 0.20524 0.21997 -0.08536 -0.04690 -0.03967 609 HOH A O    
1692 O  O    . HOH M .   ? 0.46068 0.42706 0.20538 -0.02288 0.14987  -0.03079 610 HOH A O    
1693 O  O    . HOH M .   ? 0.27853 0.64452 0.46993 -0.00032 0.05261  0.29751  611 HOH A O    
1694 O  O    . HOH M .   ? 0.54642 0.56217 0.50964 0.05672  -0.21447 0.15825  612 HOH A O    
1695 O  O    . HOH M .   ? 0.19510 0.25552 0.08058 -0.03271 0.03115  0.02316  613 HOH A O    
1696 O  O    . HOH M .   ? 0.40932 0.43034 0.42252 -0.00847 0.03679  0.03802  614 HOH A O    
1697 O  O    . HOH M .   ? 0.85082 0.81475 0.34367 -0.04106 -0.14148 0.20652  615 HOH A O    
1698 O  O    . HOH M .   ? 0.21130 0.30982 0.22823 -0.14269 0.04122  -0.06244 616 HOH A O    
1699 O  O    . HOH M .   ? 0.44830 0.52119 0.36540 0.08619  0.06789  0.24569  617 HOH A O    
1700 O  O    . HOH M .   ? 0.71943 0.71260 1.02813 -0.27252 -0.07329 0.13473  618 HOH A O    
1701 O  O    . HOH M .   ? 0.22528 0.61776 0.34218 -0.06817 0.02129  0.03219  619 HOH A O    
1702 O  O    . HOH M .   ? 0.26979 0.11103 0.07187 0.04601  -0.00395 0.00518  620 HOH A O    
1703 O  O    . HOH M .   ? 0.55629 0.76837 0.28167 0.13257  0.14261  -0.02125 621 HOH A O    
1704 O  O    . HOH M .   ? 0.93980 0.95292 0.73810 -0.30484 0.20201  0.31542  622 HOH A O    
1705 O  O    . HOH M .   ? 0.85368 0.76239 0.60532 -0.23851 0.21650  0.23820  623 HOH A O    
1706 O  O    . HOH M .   ? 0.15084 0.47847 0.20333 -0.07124 -0.02629 -0.02642 624 HOH A O    
1707 O  O    . HOH M .   ? 0.29936 0.33214 0.09167 -0.01777 -0.01513 0.03358  625 HOH A O    
1708 O  O    . HOH M .   ? 0.27198 0.14442 0.06929 -0.02234 0.00633  0.00211  626 HOH A O    
1709 O  O    . HOH M .   ? 0.70094 0.61034 0.79172 0.22808  -0.15845 0.09874  627 HOH A O    
1710 O  O    . HOH M .   ? 0.38670 0.37024 0.24723 -0.06438 0.10282  0.12828  628 HOH A O    
1711 O  O    . HOH M .   ? 0.93286 0.64888 0.67081 -0.11529 0.19799  -0.14522 629 HOH A O    
1712 O  O    . HOH M .   ? 0.66029 0.67742 0.59000 -0.29894 -0.04665 0.09377  630 HOH A O    
1713 O  O    . HOH M .   ? 0.78169 0.69689 0.36655 0.01301  -0.11854 -0.02150 631 HOH A O    
1714 O  O    . HOH M .   ? 0.53103 0.45638 0.43473 -0.19404 -0.06742 0.15365  632 HOH A O    
1715 O  O    . HOH M .   ? 0.67057 0.65852 0.69451 -0.13797 0.16061  0.11887  633 HOH A O    
1716 O  O    . HOH M .   ? 0.62623 0.49679 0.91424 0.32429  0.00259  0.02055  634 HOH A O    
1717 O  O    . HOH M .   ? 0.57807 0.61715 0.18353 -0.01290 0.10747  0.01023  635 HOH A O    
1718 O  O    . HOH M .   ? 0.15226 0.34842 0.14852 -0.06170 -0.00339 0.09580  636 HOH A O    
1719 O  O    . HOH M .   ? 0.34984 0.43519 0.12109 -0.06009 0.02866  0.01003  637 HOH A O    
1720 O  O    . HOH M .   ? 1.00595 0.92563 1.25948 0.03682  -0.11683 0.16125  638 HOH A O    
1721 O  O    . HOH M .   ? 0.23973 0.34119 0.12196 -0.11060 0.00536  -0.05375 639 HOH A O    
1722 O  O    . HOH M .   ? 0.92011 0.48999 0.38846 0.02345  -0.13728 0.11842  640 HOH A O    
1723 O  O    . HOH M .   ? 0.55829 0.63722 0.47370 -0.11312 0.04680  0.01480  641 HOH A O    
1724 O  O    . HOH M .   ? 0.63691 0.52021 0.34318 0.24441  0.20747  0.14167  642 HOH A O    
1725 O  O    . HOH M .   ? 0.08997 0.05397 0.04623 -0.03600 0.02875  -0.01797 643 HOH A O    
1726 O  O    . HOH M .   ? 0.85956 0.85646 0.74133 -0.22101 0.23336  -0.01309 644 HOH A O    
1727 O  O    . HOH M .   ? 0.79921 0.76484 0.60240 -0.25408 0.02408  0.13972  645 HOH A O    
1728 O  O    . HOH M .   ? 0.84040 0.66842 0.46072 0.07794  0.13095  0.14664  646 HOH A O    
1729 O  O    . HOH M .   ? 0.44995 0.39163 0.64044 -0.04387 0.05754  -0.12729 647 HOH A O    
1730 O  O    . HOH M .   ? 0.33710 0.46479 0.35921 0.02014  0.04444  -0.20423 648 HOH A O    
1731 O  O    . HOH M .   ? 0.84047 0.99426 0.43630 -0.35125 0.03094  -0.07451 649 HOH A O    
1732 O  O    . HOH M .   ? 0.45821 0.50770 0.56759 0.09365  -0.17322 0.08990  650 HOH A O    
1733 O  O    . HOH M .   ? 0.38372 0.56532 0.52180 -0.02203 0.14835  -0.02671 651 HOH A O    
1734 O  O    . HOH M .   ? 1.07548 1.06623 0.48816 0.40372  -0.25911 -0.09455 652 HOH A O    
1735 O  O    . HOH M .   ? 0.90838 0.63394 0.62405 0.08046  0.00769  0.13076  653 HOH A O    
1736 O  O    . HOH M .   ? 0.42768 0.52190 0.43108 0.12930  -0.13584 0.17336  654 HOH A O    
1737 O  O    . HOH M .   ? 0.60277 0.65276 0.45149 -0.06098 0.11021  -0.02993 655 HOH A O    
1738 O  O    . HOH M .   ? 0.84394 0.70208 0.56611 -0.26967 0.15482  -0.09613 656 HOH A O    
1739 O  O    . HOH M .   ? 0.72540 0.74953 0.80192 -0.05617 0.25101  -0.11019 657 HOH A O    
1740 O  O    . HOH M .   ? 0.73569 0.95259 0.27294 0.19729  0.00277  -0.01556 658 HOH A O    
1741 O  O    . HOH M .   ? 0.48686 0.59318 0.75416 0.26681  0.14272  -0.12026 659 HOH A O    
1742 O  O    . HOH M .   ? 0.65209 0.79106 0.25286 0.17817  0.06796  -0.05333 660 HOH A O    
1743 O  O    . HOH M .   ? 0.95711 0.41804 0.62123 -0.02376 0.15525  -0.01183 661 HOH A O    
1744 O  O    . HOH M .   ? 0.92287 0.90638 1.10422 -0.15106 -0.05120 -0.08095 662 HOH A O    
1745 O  O    . HOH M .   ? 0.66814 0.42702 0.65343 -0.24083 0.06693  0.12039  663 HOH A O    
1746 O  O    . HOH M .   ? 1.17819 0.98248 0.69090 0.07299  -0.37781 -0.16760 664 HOH A O    
1747 O  O    . HOH M .   ? 0.84870 0.65995 0.81584 0.05485  0.09111  0.01155  665 HOH A O    
1748 O  O    . HOH M .   ? 0.91977 1.07533 1.28332 -0.17021 -0.05459 0.06731  666 HOH A O    
1749 O  O    . HOH M .   ? 0.78789 0.71118 0.75334 -0.12733 0.10335  -0.22884 667 HOH A O    
1750 O  O    . HOH M .   ? 1.14224 0.77394 0.71933 -0.05605 0.16960  -0.18714 668 HOH A O    
1751 O  O    . HOH M .   ? 0.87748 0.88017 1.11660 -0.03702 -0.13227 0.05163  669 HOH A O    
# 
