data_8XV6
# 
_entry.id   8XV6 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.399 
_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   8XV6         pdb_00008xv6 10.2210/pdb8xv6/pdb 
WWPDB D_1300044229 ?            ?                   
# 
loop_
_pdbx_audit_revision_history.ordinal 
_pdbx_audit_revision_history.data_content_type 
_pdbx_audit_revision_history.major_revision 
_pdbx_audit_revision_history.minor_revision 
_pdbx_audit_revision_history.revision_date 
1 'Structure model' 1 0 2024-11-06 
2 'Structure model' 1 1 2025-02-19 
# 
_pdbx_audit_revision_details.ordinal             1 
_pdbx_audit_revision_details.revision_ordinal    1 
_pdbx_audit_revision_details.data_content_type   'Structure model' 
_pdbx_audit_revision_details.provider            repository 
_pdbx_audit_revision_details.type                'Initial release' 
_pdbx_audit_revision_details.description         ? 
_pdbx_audit_revision_details.details             ? 
# 
_pdbx_audit_revision_group.ordinal             1 
_pdbx_audit_revision_group.revision_ordinal    2 
_pdbx_audit_revision_group.data_content_type   'Structure model' 
_pdbx_audit_revision_group.group               'Database references' 
# 
loop_
_pdbx_audit_revision_category.ordinal 
_pdbx_audit_revision_category.revision_ordinal 
_pdbx_audit_revision_category.data_content_type 
_pdbx_audit_revision_category.category 
1 2 'Structure model' citation        
2 2 'Structure model' citation_author 
# 
loop_
_pdbx_audit_revision_item.ordinal 
_pdbx_audit_revision_item.revision_ordinal 
_pdbx_audit_revision_item.data_content_type 
_pdbx_audit_revision_item.item 
1  2 'Structure model' '_citation.country'                 
2  2 'Structure model' '_citation.journal_abbrev'          
3  2 'Structure model' '_citation.journal_id_CSD'          
4  2 'Structure model' '_citation.journal_id_ISSN'         
5  2 'Structure model' '_citation.journal_volume'          
6  2 'Structure model' '_citation.page_first'              
7  2 'Structure model' '_citation.page_last'               
8  2 'Structure model' '_citation.pdbx_database_id_DOI'    
9  2 'Structure model' '_citation.pdbx_database_id_PubMed' 
10 2 'Structure model' '_citation.title'                   
11 2 'Structure model' '_citation.year'                    
# 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.entry_id                        8XV6 
_pdbx_database_status.recvd_initial_deposition_date   2024-01-14 
_pdbx_database_status.SG_entry                        N 
_pdbx_database_status.deposit_site                    PDBJ 
_pdbx_database_status.process_site                    PDBJ 
_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              liu_jinsong@gibh.ac.cn 
_pdbx_contact_author.name_first         Jinsong 
_pdbx_contact_author.name_last          Liu 
_pdbx_contact_author.name_mi            ? 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0003-2317-0558 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Du, X.'  1 ? 
'Gan, Q.' 2 ? 
'Xu, J.'  3 ? 
'Liu, J.' 4 ? 
# 
_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            'Nat Commun' 
_citation.journal_id_ASTM           ? 
_citation.journal_id_CSD            ? 
_citation.journal_id_ISSN           2041-1723 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            16 
_citation.language                  ? 
_citation.page_first                474 
_citation.page_last                 474 
_citation.title                     'Defining ortholog-specific UHRF1 inhibition by STELLA for cancer therapy.' 
_citation.year                      2025 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      10.1038/s41467-024-55481-7 
_citation.pdbx_database_id_PubMed   39774694 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Bai, W.'              1  ?                   
primary 'Xu, J.'               2  0000-0002-1680-7533 
primary 'Gu, W.'               3  ?                   
primary 'Wang, D.'             4  ?                   
primary 'Cui, Y.'              5  ?                   
primary 'Rong, W.'             6  ?                   
primary 'Du, X.'               7  ?                   
primary 'Li, X.'               8  ?                   
primary 'Xia, C.'              9  ?                   
primary 'Gan, Q.'              10 ?                   
primary 'He, G.'               11 0000-0002-3347-6588 
primary 'Guo, H.'              12 ?                   
primary 'Deng, J.'             13 ?                   
primary 'Wu, Y.'               14 ?                   
primary 'Yen, R.C.'            15 ?                   
primary 'Yegnasubramanian, S.' 16 0000-0003-0744-6606 
primary 'Rothbart, S.B.'       17 0000-0003-1631-5392 
primary 'Luo, C.'              18 0000-0003-3864-8382 
primary 'Wu, L.'               19 0000-0001-7579-2987 
primary 'Liu, J.'              20 0000-0003-2317-0558 
primary 'Baylin, S.B.'         21 0000-0003-3697-3798 
primary 'Kong, X.'             22 0009-0006-1670-8929 
# 
loop_
_entity.id 
_entity.type 
_entity.src_method 
_entity.pdbx_description 
_entity.formula_weight 
_entity.pdbx_number_of_molecules 
_entity.pdbx_ec 
_entity.pdbx_mutation 
_entity.pdbx_fragment 
_entity.details 
1 polymer     man 'E3 ubiquitin-protein ligase UHRF1'               8332.430 2   2.3.2.27 ? 'PHD domain' ? 
2 polymer     syn 'Developmental pluripotency-associated protein 3' 4299.193 2   ?        ? ?            ? 
3 non-polymer nat 'THIOCYANATE ION'                                 58.082   6   ?        ? ?            ? 
4 non-polymer syn GLYCEROL                                          92.094   1   ?        ? ?            ? 
5 non-polymer syn 'ZINC ION'                                        65.409   10  ?        ? ?            ? 
6 water       nat water                                             18.015   122 ?        ? ?            ? 
# 
loop_
_entity_name_com.entity_id 
_entity_name_com.name 
1 
;Inverted CCAAT box-binding protein of 90 kDa,Nuclear protein 95,Nuclear zinc finger protein Np95,HuNp95,hNp95,RING finger protein 106,RING-type E3 ubiquitin transferase UHRF1,Transcription factor ICBP90,Ubiquitin-like PHD and RING finger domain-containing protein 1,hUHRF1,Ubiquitin-like-containing PHD and RING finger domains protein 1
;
2 'Compaction-associated protein 1,Primordial germ cell protein 7,Stella' 
# 
loop_
_entity_poly.entity_id 
_entity_poly.type 
_entity_poly.nstd_linkage 
_entity_poly.nstd_monomer 
_entity_poly.pdbx_seq_one_letter_code 
_entity_poly.pdbx_seq_one_letter_code_can 
_entity_poly.pdbx_strand_id 
_entity_poly.pdbx_target_identifier 
1 'polypeptide(L)' no no GPLGSSGPSCKHCKDDVNRLCRVCACHLCGGRQDPDKQLMCDECDMAFHIYCLDPPLSSVPSEDEWYCPECRNDA 
GPLGSSGPSCKHCKDDVNRLCRVCACHLCGGRQDPDKQLMCDECDMAFHIYCLDPPLSSVPSEDEWYCPECRNDA A,C ? 
2 'polypeptide(L)' no no KRRVRTLLSVLKDPIAKMRRLVRIEQRQKRLEGNE                                         
KRRVRTLLSVLKDPIAKMRRLVRIEQRQKRLEGNE                                         B,D ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
3 'THIOCYANATE ION' SCN 
4 GLYCEROL          GOL 
5 'ZINC ION'        ZN  
6 water             HOH 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1  GLY n 
1 2  PRO n 
1 3  LEU n 
1 4  GLY n 
1 5  SER n 
1 6  SER n 
1 7  GLY n 
1 8  PRO n 
1 9  SER n 
1 10 CYS n 
1 11 LYS n 
1 12 HIS n 
1 13 CYS n 
1 14 LYS n 
1 15 ASP n 
1 16 ASP n 
1 17 VAL n 
1 18 ASN n 
1 19 ARG n 
1 20 LEU n 
1 21 CYS n 
1 22 ARG n 
1 23 VAL n 
1 24 CYS n 
1 25 ALA n 
1 26 CYS n 
1 27 HIS n 
1 28 LEU n 
1 29 CYS n 
1 30 GLY n 
1 31 GLY n 
1 32 ARG n 
1 33 GLN n 
1 34 ASP n 
1 35 PRO n 
1 36 ASP n 
1 37 LYS n 
1 38 GLN n 
1 39 LEU n 
1 40 MET n 
1 41 CYS n 
1 42 ASP n 
1 43 GLU n 
1 44 CYS n 
1 45 ASP n 
1 46 MET n 
1 47 ALA n 
1 48 PHE n 
1 49 HIS n 
1 50 ILE n 
1 51 TYR n 
1 52 CYS n 
1 53 LEU n 
1 54 ASP n 
1 55 PRO n 
1 56 PRO n 
1 57 LEU n 
1 58 SER n 
1 59 SER n 
1 60 VAL n 
1 61 PRO n 
1 62 SER n 
1 63 GLU n 
1 64 ASP n 
1 65 GLU n 
1 66 TRP n 
1 67 TYR n 
1 68 CYS n 
1 69 PRO n 
1 70 GLU n 
1 71 CYS n 
1 72 ARG n 
1 73 ASN n 
1 74 ASP n 
1 75 ALA n 
2 1  LYS n 
2 2  ARG n 
2 3  ARG n 
2 4  VAL n 
2 5  ARG n 
2 6  THR n 
2 7  LEU n 
2 8  LEU n 
2 9  SER n 
2 10 VAL n 
2 11 LEU n 
2 12 LYS n 
2 13 ASP n 
2 14 PRO n 
2 15 ILE n 
2 16 ALA n 
2 17 LYS n 
2 18 MET n 
2 19 ARG n 
2 20 ARG n 
2 21 LEU n 
2 22 VAL n 
2 23 ARG n 
2 24 ILE n 
2 25 GLU n 
2 26 GLN n 
2 27 ARG n 
2 28 GLN n 
2 29 LYS n 
2 30 ARG n 
2 31 LEU n 
2 32 GLU n 
2 33 GLY n 
2 34 ASN n 
2 35 GLU 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                   75 
_entity_src_gen.gene_src_common_name               human 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 'UHRF1, ICBP90, NP95, RNF106' 
_entity_src_gen.gene_src_species                   ? 
_entity_src_gen.gene_src_strain                    ? 
_entity_src_gen.gene_src_tissue                    ? 
_entity_src_gen.gene_src_tissue_fraction           ? 
_entity_src_gen.gene_src_details                   ? 
_entity_src_gen.pdbx_gene_src_fragment             ? 
_entity_src_gen.pdbx_gene_src_scientific_name      'Homo sapiens' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     9606 
_entity_src_gen.pdbx_gene_src_variant              ? 
_entity_src_gen.pdbx_gene_src_cell_line            ? 
_entity_src_gen.pdbx_gene_src_atcc                 ? 
_entity_src_gen.pdbx_gene_src_organ                ? 
_entity_src_gen.pdbx_gene_src_organelle            ? 
_entity_src_gen.pdbx_gene_src_cell                 ? 
_entity_src_gen.pdbx_gene_src_cellular_location    ? 
_entity_src_gen.host_org_common_name               ? 
_entity_src_gen.pdbx_host_org_scientific_name      'Escherichia coli' 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     562 
_entity_src_gen.host_org_genus                     ? 
_entity_src_gen.pdbx_host_org_gene                 ? 
_entity_src_gen.pdbx_host_org_organ                ? 
_entity_src_gen.host_org_species                   ? 
_entity_src_gen.pdbx_host_org_tissue               ? 
_entity_src_gen.pdbx_host_org_tissue_fraction      ? 
_entity_src_gen.pdbx_host_org_strain               ? 
_entity_src_gen.pdbx_host_org_variant              ? 
_entity_src_gen.pdbx_host_org_cell_line            ? 
_entity_src_gen.pdbx_host_org_atcc                 ? 
_entity_src_gen.pdbx_host_org_culture_collection   ? 
_entity_src_gen.pdbx_host_org_cell                 ? 
_entity_src_gen.pdbx_host_org_organelle            ? 
_entity_src_gen.pdbx_host_org_cellular_location    ? 
_entity_src_gen.pdbx_host_org_vector_type          ? 
_entity_src_gen.pdbx_host_org_vector               ? 
_entity_src_gen.host_org_details                   ? 
_entity_src_gen.expression_system_id               ? 
_entity_src_gen.plasmid_name                       ? 
_entity_src_gen.plasmid_details                    ? 
_entity_src_gen.pdbx_description                   ? 
# 
_pdbx_entity_src_syn.entity_id              2 
_pdbx_entity_src_syn.pdbx_src_id            1 
_pdbx_entity_src_syn.pdbx_alt_source_flag   sample 
_pdbx_entity_src_syn.pdbx_beg_seq_num       1 
_pdbx_entity_src_syn.pdbx_end_seq_num       35 
_pdbx_entity_src_syn.organism_scientific    'Mus musculus' 
_pdbx_entity_src_syn.organism_common_name   'house mouse' 
_pdbx_entity_src_syn.ncbi_taxonomy_id       10090 
_pdbx_entity_src_syn.details                ? 
# 
loop_
_chem_comp.id 
_chem_comp.type 
_chem_comp.mon_nstd_flag 
_chem_comp.name 
_chem_comp.pdbx_synonyms 
_chem_comp.formula 
_chem_comp.formula_weight 
ALA 'L-peptide linking' y ALANINE           ?                               'C3 H7 N O2'     89.093  
ARG 'L-peptide linking' y ARGININE          ?                               'C6 H15 N4 O2 1' 175.209 
ASN 'L-peptide linking' y ASPARAGINE        ?                               'C4 H8 N2 O3'    132.118 
ASP 'L-peptide linking' y 'ASPARTIC ACID'   ?                               'C4 H7 N O4'     133.103 
CYS 'L-peptide linking' y CYSTEINE          ?                               'C3 H7 N O2 S'   121.158 
GLN 'L-peptide linking' y GLUTAMINE         ?                               'C5 H10 N2 O3'   146.144 
GLU 'L-peptide linking' y 'GLUTAMIC ACID'   ?                               'C5 H9 N O4'     147.129 
GLY 'peptide linking'   y GLYCINE           ?                               'C2 H5 N O2'     75.067  
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 
PHE 'L-peptide linking' y PHENYLALANINE     ?                               'C9 H11 N O2'    165.189 
PRO 'L-peptide linking' y PROLINE           ?                               'C5 H9 N O2'     115.130 
SCN non-polymer         . 'THIOCYANATE ION' ?                               'C N S -1'       58.082  
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 
ZN  non-polymer         . 'ZINC ION'        ?                               'Zn 2'           65.409  
# 
loop_
_pdbx_poly_seq_scheme.asym_id 
_pdbx_poly_seq_scheme.entity_id 
_pdbx_poly_seq_scheme.seq_id 
_pdbx_poly_seq_scheme.mon_id 
_pdbx_poly_seq_scheme.ndb_seq_num 
_pdbx_poly_seq_scheme.pdb_seq_num 
_pdbx_poly_seq_scheme.auth_seq_num 
_pdbx_poly_seq_scheme.pdb_mon_id 
_pdbx_poly_seq_scheme.auth_mon_id 
_pdbx_poly_seq_scheme.pdb_strand_id 
_pdbx_poly_seq_scheme.pdb_ins_code 
_pdbx_poly_seq_scheme.hetero 
A 1 1  GLY 1  293 ?   ?   ?   A . n 
A 1 2  PRO 2  294 ?   ?   ?   A . n 
A 1 3  LEU 3  295 ?   ?   ?   A . n 
A 1 4  GLY 4  296 ?   ?   ?   A . n 
A 1 5  SER 5  297 ?   ?   ?   A . n 
A 1 6  SER 6  298 ?   ?   ?   A . n 
A 1 7  GLY 7  299 299 GLY GLY A . n 
A 1 8  PRO 8  300 300 PRO PRO A . n 
A 1 9  SER 9  301 301 SER SER A . n 
A 1 10 CYS 10 302 302 CYS CYS A . n 
A 1 11 LYS 11 303 303 LYS LYS A . n 
A 1 12 HIS 12 304 304 HIS HIS A . n 
A 1 13 CYS 13 305 305 CYS CYS A . n 
A 1 14 LYS 14 306 306 LYS LYS A . n 
A 1 15 ASP 15 307 307 ASP ASP A . n 
A 1 16 ASP 16 308 308 ASP ASP A . n 
A 1 17 VAL 17 309 309 VAL VAL A . n 
A 1 18 ASN 18 310 310 ASN ASN A . n 
A 1 19 ARG 19 311 311 ARG ARG A . n 
A 1 20 LEU 20 312 312 LEU LEU A . n 
A 1 21 CYS 21 313 313 CYS CYS A . n 
A 1 22 ARG 22 314 314 ARG ARG A . n 
A 1 23 VAL 23 315 315 VAL VAL A . n 
A 1 24 CYS 24 316 316 CYS CYS A . n 
A 1 25 ALA 25 317 317 ALA ALA A . n 
A 1 26 CYS 26 318 318 CYS CYS A . n 
A 1 27 HIS 27 319 319 HIS HIS A . n 
A 1 28 LEU 28 320 320 LEU LEU A . n 
A 1 29 CYS 29 321 321 CYS CYS A . n 
A 1 30 GLY 30 322 322 GLY GLY A . n 
A 1 31 GLY 31 323 323 GLY GLY A . n 
A 1 32 ARG 32 324 324 ARG ARG A . n 
A 1 33 GLN 33 325 325 GLN GLN A . n 
A 1 34 ASP 34 326 326 ASP ASP A . n 
A 1 35 PRO 35 327 327 PRO PRO A . n 
A 1 36 ASP 36 328 328 ASP ASP A . n 
A 1 37 LYS 37 329 329 LYS LYS A . n 
A 1 38 GLN 38 330 330 GLN GLN A . n 
A 1 39 LEU 39 331 331 LEU LEU A . n 
A 1 40 MET 40 332 332 MET MET A . n 
A 1 41 CYS 41 333 333 CYS CYS A . n 
A 1 42 ASP 42 334 334 ASP ASP A . n 
A 1 43 GLU 43 335 335 GLU GLU A . n 
A 1 44 CYS 44 336 336 CYS CYS A . n 
A 1 45 ASP 45 337 337 ASP ASP A . n 
A 1 46 MET 46 338 338 MET MET A . n 
A 1 47 ALA 47 339 339 ALA ALA A . n 
A 1 48 PHE 48 340 340 PHE PHE A . n 
A 1 49 HIS 49 341 341 HIS HIS A . n 
A 1 50 ILE 50 342 342 ILE ILE A . n 
A 1 51 TYR 51 343 343 TYR TYR A . n 
A 1 52 CYS 52 344 344 CYS CYS A . n 
A 1 53 LEU 53 345 345 LEU LEU A . n 
A 1 54 ASP 54 346 346 ASP ASP A . n 
A 1 55 PRO 55 347 347 PRO PRO A . n 
A 1 56 PRO 56 348 348 PRO PRO A . n 
A 1 57 LEU 57 349 349 LEU LEU A . n 
A 1 58 SER 58 350 350 SER SER A . n 
A 1 59 SER 59 351 351 SER SER A . n 
A 1 60 VAL 60 352 352 VAL VAL A . n 
A 1 61 PRO 61 353 353 PRO PRO A . n 
A 1 62 SER 62 354 354 SER SER A . n 
A 1 63 GLU 63 355 355 GLU GLU A . n 
A 1 64 ASP 64 356 356 ASP ASP A . n 
A 1 65 GLU 65 357 357 GLU GLU A . n 
A 1 66 TRP 66 358 358 TRP TRP A . n 
A 1 67 TYR 67 359 359 TYR TYR A . n 
A 1 68 CYS 68 360 360 CYS CYS A . n 
A 1 69 PRO 69 361 361 PRO PRO A . n 
A 1 70 GLU 70 362 362 GLU GLU A . n 
A 1 71 CYS 71 363 363 CYS CYS A . n 
A 1 72 ARG 72 364 364 ARG ARG A . n 
A 1 73 ASN 73 365 365 ASN ASN A . n 
A 1 74 ASP 74 366 366 ASP ASP A . n 
A 1 75 ALA 75 367 ?   ?   ?   A . n 
B 2 1  LYS 1  85  ?   ?   ?   B . n 
B 2 2  ARG 2  86  ?   ?   ?   B . n 
B 2 3  ARG 3  87  87  ARG ARG B . n 
B 2 4  VAL 4  88  88  VAL VAL B . n 
B 2 5  ARG 5  89  89  ARG ARG B . n 
B 2 6  THR 6  90  90  THR THR B . n 
B 2 7  LEU 7  91  91  LEU LEU B . n 
B 2 8  LEU 8  92  92  LEU LEU B . n 
B 2 9  SER 9  93  93  SER SER B . n 
B 2 10 VAL 10 94  94  VAL VAL B . n 
B 2 11 LEU 11 95  95  LEU LEU B . n 
B 2 12 LYS 12 96  96  LYS LYS B . n 
B 2 13 ASP 13 97  97  ASP ASP B . n 
B 2 14 PRO 14 98  98  PRO PRO B . n 
B 2 15 ILE 15 99  99  ILE ILE B . n 
B 2 16 ALA 16 100 100 ALA ALA B . n 
B 2 17 LYS 17 101 101 LYS LYS B . n 
B 2 18 MET 18 102 102 MET MET B . n 
B 2 19 ARG 19 103 103 ARG ARG B . n 
B 2 20 ARG 20 104 104 ARG ARG B . n 
B 2 21 LEU 21 105 105 LEU LEU B . n 
B 2 22 VAL 22 106 106 VAL VAL B . n 
B 2 23 ARG 23 107 107 ARG ARG B . n 
B 2 24 ILE 24 108 108 ILE ILE B . n 
B 2 25 GLU 25 109 109 GLU GLU B . n 
B 2 26 GLN 26 110 110 GLN GLN B . n 
B 2 27 ARG 27 111 111 ARG ARG B . n 
B 2 28 GLN 28 112 112 GLN GLN B . n 
B 2 29 LYS 29 113 113 LYS LYS B . n 
B 2 30 ARG 30 114 ?   ?   ?   B . n 
B 2 31 LEU 31 115 ?   ?   ?   B . n 
B 2 32 GLU 32 116 ?   ?   ?   B . n 
B 2 33 GLY 33 117 ?   ?   ?   B . n 
B 2 34 ASN 34 118 ?   ?   ?   B . n 
B 2 35 GLU 35 119 ?   ?   ?   B . n 
C 1 1  GLY 1  293 ?   ?   ?   C . n 
C 1 2  PRO 2  294 ?   ?   ?   C . n 
C 1 3  LEU 3  295 ?   ?   ?   C . n 
C 1 4  GLY 4  296 ?   ?   ?   C . n 
C 1 5  SER 5  297 ?   ?   ?   C . n 
C 1 6  SER 6  298 ?   ?   ?   C . n 
C 1 7  GLY 7  299 299 GLY GLY C . n 
C 1 8  PRO 8  300 300 PRO PRO C . n 
C 1 9  SER 9  301 301 SER SER C . n 
C 1 10 CYS 10 302 302 CYS CYS C . n 
C 1 11 LYS 11 303 303 LYS LYS C . n 
C 1 12 HIS 12 304 304 HIS HIS C . n 
C 1 13 CYS 13 305 305 CYS CYS C . n 
C 1 14 LYS 14 306 306 LYS LYS C . n 
C 1 15 ASP 15 307 307 ASP ASP C . n 
C 1 16 ASP 16 308 308 ASP ASP C . n 
C 1 17 VAL 17 309 309 VAL VAL C . n 
C 1 18 ASN 18 310 310 ASN ASN C . n 
C 1 19 ARG 19 311 311 ARG ARG C . n 
C 1 20 LEU 20 312 312 LEU LEU C . n 
C 1 21 CYS 21 313 313 CYS CYS C . n 
C 1 22 ARG 22 314 314 ARG ARG C . n 
C 1 23 VAL 23 315 315 VAL VAL C . n 
C 1 24 CYS 24 316 316 CYS CYS C . n 
C 1 25 ALA 25 317 317 ALA ALA C . n 
C 1 26 CYS 26 318 318 CYS CYS C . n 
C 1 27 HIS 27 319 319 HIS HIS C . n 
C 1 28 LEU 28 320 320 LEU LEU C . n 
C 1 29 CYS 29 321 321 CYS CYS C . n 
C 1 30 GLY 30 322 322 GLY GLY C . n 
C 1 31 GLY 31 323 323 GLY GLY C . n 
C 1 32 ARG 32 324 324 ARG ARG C . n 
C 1 33 GLN 33 325 325 GLN GLN C . n 
C 1 34 ASP 34 326 326 ASP ASP C . n 
C 1 35 PRO 35 327 327 PRO PRO C . n 
C 1 36 ASP 36 328 328 ASP ASP C . n 
C 1 37 LYS 37 329 329 LYS LYS C . n 
C 1 38 GLN 38 330 330 GLN GLN C . n 
C 1 39 LEU 39 331 331 LEU LEU C . n 
C 1 40 MET 40 332 332 MET MET C . n 
C 1 41 CYS 41 333 333 CYS CYS C . n 
C 1 42 ASP 42 334 334 ASP ASP C . n 
C 1 43 GLU 43 335 335 GLU GLU C . n 
C 1 44 CYS 44 336 336 CYS CYS C . n 
C 1 45 ASP 45 337 337 ASP ASP C . n 
C 1 46 MET 46 338 338 MET MET C . n 
C 1 47 ALA 47 339 339 ALA ALA C . n 
C 1 48 PHE 48 340 340 PHE PHE C . n 
C 1 49 HIS 49 341 341 HIS HIS C . n 
C 1 50 ILE 50 342 342 ILE ILE C . n 
C 1 51 TYR 51 343 343 TYR TYR C . n 
C 1 52 CYS 52 344 344 CYS CYS C . n 
C 1 53 LEU 53 345 345 LEU LEU C . n 
C 1 54 ASP 54 346 346 ASP ASP C . n 
C 1 55 PRO 55 347 347 PRO PRO C . n 
C 1 56 PRO 56 348 348 PRO PRO C . n 
C 1 57 LEU 57 349 349 LEU LEU C . n 
C 1 58 SER 58 350 350 SER SER C . n 
C 1 59 SER 59 351 351 SER SER C . n 
C 1 60 VAL 60 352 352 VAL VAL C . n 
C 1 61 PRO 61 353 353 PRO PRO C . n 
C 1 62 SER 62 354 354 SER SER C . n 
C 1 63 GLU 63 355 355 GLU GLU C . n 
C 1 64 ASP 64 356 356 ASP ASP C . n 
C 1 65 GLU 65 357 357 GLU GLU C . n 
C 1 66 TRP 66 358 358 TRP TRP C . n 
C 1 67 TYR 67 359 359 TYR TYR C . n 
C 1 68 CYS 68 360 360 CYS CYS C . n 
C 1 69 PRO 69 361 361 PRO PRO C . n 
C 1 70 GLU 70 362 362 GLU GLU C . n 
C 1 71 CYS 71 363 363 CYS CYS C . n 
C 1 72 ARG 72 364 364 ARG ARG C . n 
C 1 73 ASN 73 365 365 ASN ASN C . n 
C 1 74 ASP 74 366 366 ASP ASP C . n 
C 1 75 ALA 75 367 ?   ?   ?   C . n 
D 2 1  LYS 1  85  ?   ?   ?   D . n 
D 2 2  ARG 2  86  ?   ?   ?   D . n 
D 2 3  ARG 3  87  87  ARG ARG D . n 
D 2 4  VAL 4  88  88  VAL VAL D . n 
D 2 5  ARG 5  89  89  ARG ARG D . n 
D 2 6  THR 6  90  90  THR THR D . n 
D 2 7  LEU 7  91  91  LEU LEU D . n 
D 2 8  LEU 8  92  92  LEU LEU D . n 
D 2 9  SER 9  93  93  SER SER D . n 
D 2 10 VAL 10 94  94  VAL VAL D . n 
D 2 11 LEU 11 95  95  LEU LEU D . n 
D 2 12 LYS 12 96  96  LYS LYS D . n 
D 2 13 ASP 13 97  97  ASP ASP D . n 
D 2 14 PRO 14 98  98  PRO PRO D . n 
D 2 15 ILE 15 99  99  ILE ILE D . n 
D 2 16 ALA 16 100 100 ALA ALA D . n 
D 2 17 LYS 17 101 101 LYS LYS D . n 
D 2 18 MET 18 102 102 MET MET D . n 
D 2 19 ARG 19 103 103 ARG ARG D . n 
D 2 20 ARG 20 104 104 ARG ARG D . n 
D 2 21 LEU 21 105 105 LEU LEU D . n 
D 2 22 VAL 22 106 106 VAL VAL D . n 
D 2 23 ARG 23 107 107 ARG ARG D . n 
D 2 24 ILE 24 108 108 ILE ILE D . n 
D 2 25 GLU 25 109 109 GLU GLU D . n 
D 2 26 GLN 26 110 110 GLN GLN D . n 
D 2 27 ARG 27 111 111 ARG ARG D . n 
D 2 28 GLN 28 112 112 GLN GLN D . n 
D 2 29 LYS 29 113 113 LYS LYS D . n 
D 2 30 ARG 30 114 ?   ?   ?   D . n 
D 2 31 LEU 31 115 ?   ?   ?   D . n 
D 2 32 GLU 32 116 ?   ?   ?   D . n 
D 2 33 GLY 33 117 ?   ?   ?   D . n 
D 2 34 ASN 34 118 ?   ?   ?   D . n 
D 2 35 GLU 35 119 ?   ?   ?   D . n 
# 
_pdbx_entity_instance_feature.ordinal        1 
_pdbx_entity_instance_feature.comp_id        ZN 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   ZN 
_pdbx_entity_instance_feature.auth_asym_id   ? 
_pdbx_entity_instance_feature.auth_seq_num   ? 
_pdbx_entity_instance_feature.feature_type   'SUBJECT OF INVESTIGATION' 
_pdbx_entity_instance_feature.details        ? 
# 
loop_
_pdbx_nonpoly_scheme.asym_id 
_pdbx_nonpoly_scheme.entity_id 
_pdbx_nonpoly_scheme.mon_id 
_pdbx_nonpoly_scheme.ndb_seq_num 
_pdbx_nonpoly_scheme.pdb_seq_num 
_pdbx_nonpoly_scheme.auth_seq_num 
_pdbx_nonpoly_scheme.pdb_mon_id 
_pdbx_nonpoly_scheme.auth_mon_id 
_pdbx_nonpoly_scheme.pdb_strand_id 
_pdbx_nonpoly_scheme.pdb_ins_code 
E 3 SCN 1  401 1   SCN SCN A . 
F 3 SCN 1  402 2   SCN SCN A . 
G 3 SCN 1  403 5   SCN SCN A . 
H 4 GOL 1  404 1   GOL GOL A . 
I 5 ZN  1  405 1   ZN  ZN  A . 
J 5 ZN  1  406 2   ZN  ZN  A . 
K 5 ZN  1  407 4   ZN  ZN  A . 
L 5 ZN  1  408 5   ZN  ZN  A . 
M 5 ZN  1  409 6   ZN  ZN  A . 
N 3 SCN 1  401 3   SCN SCN C . 
O 3 SCN 1  402 4   SCN SCN C . 
P 5 ZN  1  403 3   ZN  ZN  C . 
Q 5 ZN  1  404 7   ZN  ZN  C . 
R 5 ZN  1  405 8   ZN  ZN  C . 
S 5 ZN  1  406 9   ZN  ZN  C . 
T 5 ZN  1  407 10  ZN  ZN  C . 
U 3 SCN 1  201 6   SCN SCN D . 
V 6 HOH 1  501 57  HOH HOH A . 
V 6 HOH 2  502 110 HOH HOH A . 
V 6 HOH 3  503 99  HOH HOH A . 
V 6 HOH 4  504 65  HOH HOH A . 
V 6 HOH 5  505 1   HOH HOH A . 
V 6 HOH 6  506 134 HOH HOH A . 
V 6 HOH 7  507 87  HOH HOH A . 
V 6 HOH 8  508 16  HOH HOH A . 
V 6 HOH 9  509 94  HOH HOH A . 
V 6 HOH 10 510 12  HOH HOH A . 
V 6 HOH 11 511 11  HOH HOH A . 
V 6 HOH 12 512 100 HOH HOH A . 
V 6 HOH 13 513 13  HOH HOH A . 
V 6 HOH 14 514 5   HOH HOH A . 
V 6 HOH 15 515 50  HOH HOH A . 
V 6 HOH 16 516 3   HOH HOH A . 
V 6 HOH 17 517 49  HOH HOH A . 
V 6 HOH 18 518 25  HOH HOH A . 
V 6 HOH 19 519 26  HOH HOH A . 
V 6 HOH 20 520 82  HOH HOH A . 
V 6 HOH 21 521 55  HOH HOH A . 
V 6 HOH 22 522 52  HOH HOH A . 
V 6 HOH 23 523 7   HOH HOH A . 
V 6 HOH 24 524 132 HOH HOH A . 
V 6 HOH 25 525 137 HOH HOH A . 
V 6 HOH 26 526 107 HOH HOH A . 
V 6 HOH 27 527 47  HOH HOH A . 
V 6 HOH 28 528 98  HOH HOH A . 
V 6 HOH 29 529 111 HOH HOH A . 
V 6 HOH 30 530 4   HOH HOH A . 
V 6 HOH 31 531 118 HOH HOH A . 
V 6 HOH 32 532 8   HOH HOH A . 
V 6 HOH 33 533 30  HOH HOH A . 
V 6 HOH 34 534 18  HOH HOH A . 
V 6 HOH 35 535 22  HOH HOH A . 
V 6 HOH 36 536 97  HOH HOH A . 
V 6 HOH 37 537 78  HOH HOH A . 
V 6 HOH 38 538 115 HOH HOH A . 
V 6 HOH 39 539 84  HOH HOH A . 
V 6 HOH 40 540 112 HOH HOH A . 
V 6 HOH 41 541 126 HOH HOH A . 
V 6 HOH 42 542 95  HOH HOH A . 
V 6 HOH 43 543 130 HOH HOH A . 
V 6 HOH 44 544 114 HOH HOH A . 
V 6 HOH 45 545 71  HOH HOH A . 
V 6 HOH 46 546 131 HOH HOH A . 
V 6 HOH 47 547 120 HOH HOH A . 
W 6 HOH 1  201 124 HOH HOH B . 
W 6 HOH 2  202 125 HOH HOH B . 
W 6 HOH 3  203 67  HOH HOH B . 
W 6 HOH 4  204 89  HOH HOH B . 
W 6 HOH 5  205 51  HOH HOH B . 
W 6 HOH 6  206 129 HOH HOH B . 
W 6 HOH 7  207 108 HOH HOH B . 
X 6 HOH 1  501 46  HOH HOH C . 
X 6 HOH 2  502 62  HOH HOH C . 
X 6 HOH 3  503 91  HOH HOH C . 
X 6 HOH 4  504 63  HOH HOH C . 
X 6 HOH 5  505 29  HOH HOH C . 
X 6 HOH 6  506 104 HOH HOH C . 
X 6 HOH 7  507 121 HOH HOH C . 
X 6 HOH 8  508 77  HOH HOH C . 
X 6 HOH 9  509 2   HOH HOH C . 
X 6 HOH 10 510 66  HOH HOH C . 
X 6 HOH 11 511 61  HOH HOH C . 
X 6 HOH 12 512 60  HOH HOH C . 
X 6 HOH 13 513 15  HOH HOH C . 
X 6 HOH 14 514 101 HOH HOH C . 
X 6 HOH 15 515 14  HOH HOH C . 
X 6 HOH 16 516 59  HOH HOH C . 
X 6 HOH 17 517 9   HOH HOH C . 
X 6 HOH 18 518 83  HOH HOH C . 
X 6 HOH 19 519 54  HOH HOH C . 
X 6 HOH 20 520 48  HOH HOH C . 
X 6 HOH 21 521 19  HOH HOH C . 
X 6 HOH 22 522 58  HOH HOH C . 
X 6 HOH 23 523 10  HOH HOH C . 
X 6 HOH 24 524 24  HOH HOH C . 
X 6 HOH 25 525 76  HOH HOH C . 
X 6 HOH 26 526 123 HOH HOH C . 
X 6 HOH 27 527 133 HOH HOH C . 
X 6 HOH 28 528 21  HOH HOH C . 
X 6 HOH 29 529 20  HOH HOH C . 
X 6 HOH 30 530 96  HOH HOH C . 
X 6 HOH 31 531 102 HOH HOH C . 
X 6 HOH 32 532 90  HOH HOH C . 
X 6 HOH 33 533 70  HOH HOH C . 
X 6 HOH 34 534 74  HOH HOH C . 
X 6 HOH 35 535 73  HOH HOH C . 
X 6 HOH 36 536 85  HOH HOH C . 
X 6 HOH 37 537 53  HOH HOH C . 
X 6 HOH 38 538 6   HOH HOH C . 
X 6 HOH 39 539 17  HOH HOH C . 
X 6 HOH 40 540 72  HOH HOH C . 
X 6 HOH 41 541 113 HOH HOH C . 
X 6 HOH 42 542 127 HOH HOH C . 
X 6 HOH 43 543 80  HOH HOH C . 
X 6 HOH 44 544 56  HOH HOH C . 
X 6 HOH 45 545 75  HOH HOH C . 
X 6 HOH 46 546 119 HOH HOH C . 
X 6 HOH 47 547 92  HOH HOH C . 
X 6 HOH 48 548 106 HOH HOH C . 
X 6 HOH 49 549 109 HOH HOH C . 
X 6 HOH 50 550 105 HOH HOH C . 
X 6 HOH 51 551 81  HOH HOH C . 
X 6 HOH 52 552 117 HOH HOH C . 
X 6 HOH 53 553 122 HOH HOH C . 
X 6 HOH 54 554 103 HOH HOH C . 
Y 6 HOH 1  301 69  HOH HOH D . 
Y 6 HOH 2  302 86  HOH HOH D . 
Y 6 HOH 3  303 28  HOH HOH D . 
Y 6 HOH 4  304 128 HOH HOH D . 
Y 6 HOH 5  305 93  HOH HOH D . 
Y 6 HOH 6  306 138 HOH HOH D . 
Y 6 HOH 7  307 23  HOH HOH D . 
Y 6 HOH 8  308 39  HOH HOH D . 
Y 6 HOH 9  309 45  HOH HOH D . 
Y 6 HOH 10 310 43  HOH HOH D . 
Y 6 HOH 11 311 44  HOH HOH D . 
Y 6 HOH 12 312 136 HOH HOH D . 
Y 6 HOH 13 313 135 HOH HOH D . 
Y 6 HOH 14 314 116 HOH HOH D . 
# 
loop_
_software.citation_id 
_software.classification 
_software.compiler_name 
_software.compiler_version 
_software.contact_author 
_software.contact_author_email 
_software.date 
_software.description 
_software.dependencies 
_software.hardware 
_software.language 
_software.location 
_software.mods 
_software.name 
_software.os 
_software.os_version 
_software.type 
_software.version 
_software.pdbx_ordinal 
? refinement       ? ? ? ? ? ? ? ? ? ? ? REFMAC  ? ? ? 5.8.0419 1 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? Aimless ? ? ? .        2 
? phasing          ? ? ? ? ? ? ? ? ? ? ? MOLREP  ? ? ? .        3 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? XDS     ? ? ? .        4 
# 
_cell.angle_alpha                  90.00 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   90.00 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  90.00 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     8XV6 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     70.940 
_cell.length_a_esd                 ? 
_cell.length_b                     75.720 
_cell.length_b_esd                 ? 
_cell.length_c                     96.480 
_cell.length_c_esd                 ? 
_cell.volume                       ? 
_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                         8XV6 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                20 
_symmetry.space_group_name_Hall            ? 
_symmetry.space_group_name_H-M             'C 2 2 21' 
_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                   8XV6 
_exptl.crystals_number            1 
_exptl.details                    ? 
_exptl.method                     'X-RAY DIFFRACTION' 
_exptl.method_details             ? 
# 
_exptl_crystal.colour                       ? 
_exptl_crystal.density_diffrn               ? 
_exptl_crystal.density_Matthews             2.67 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          53.93 
_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' 
_exptl_crystal_grow.method_ref      ? 
_exptl_crystal_grow.pH              ? 
_exptl_crystal_grow.pressure        ? 
_exptl_crystal_grow.pressure_esd    ? 
_exptl_crystal_grow.seeding         ? 
_exptl_crystal_grow.seeding_ref     ? 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.temp_esd        ? 
_exptl_crystal_grow.time            ? 
_exptl_crystal_grow.pdbx_details    '0.1 M Potassium thiocyanate, 30% PEG MME2000' 
_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 PILATUS 6M' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2023-10-22 
_diffrn_detector.pdbx_frequency               ? 
_diffrn_detector.id                           ? 
_diffrn_detector.number_of_axes               ? 
# 
_diffrn_radiation.collimation                      ? 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.filter_edge                      ? 
_diffrn_radiation.inhomogeneity                    ? 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.polarisn_norm                    ? 
_diffrn_radiation.polarisn_ratio                   ? 
_diffrn_radiation.probe                            ? 
_diffrn_radiation.type                             ? 
_diffrn_radiation.xray_symbol                      ? 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   M 
_diffrn_radiation.pdbx_wavelength_list             ? 
_diffrn_radiation.pdbx_wavelength                  ? 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_analyzer                    ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.9792 
_diffrn_radiation_wavelength.wt           1.0 
# 
_diffrn_source.current                     ? 
_diffrn_source.details                     ? 
_diffrn_source.diffrn_id                   1 
_diffrn_source.power                       ? 
_diffrn_source.size                        ? 
_diffrn_source.source                      SYNCHROTRON 
_diffrn_source.target                      ? 
_diffrn_source.type                        'SSRF BEAMLINE BL19U1' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        0.9792 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   BL19U1 
_diffrn_source.pdbx_synchrotron_site       SSRF 
# 
_reflns.B_iso_Wilson_estimate                          ? 
_reflns.entry_id                                       8XV6 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.60 
_reflns.d_resolution_low                               19.95 
_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                                     34602 
_reflns.observed_criterion                             ? 
_reflns.observed_criterion_F_max                       ? 
_reflns.observed_criterion_F_min                       ? 
_reflns.observed_criterion_I_max                       ? 
_reflns.observed_criterion_I_min                       ? 
_reflns.observed_criterion_sigma_F                     ? 
_reflns.observed_criterion_sigma_I                     ? 
_reflns.percent_possible_obs                           99.8 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                6.2 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          21.0 
_reflns.pdbx_res_netI_over_av_sigmaI_2                 ? 
_reflns.pdbx_res_netI_over_sigmaI_2                    ? 
_reflns.pdbx_chi_squared                               0.65 
_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                                0.042 
_reflns.pdbx_Rpim_I_all                                0.017 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       213799 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   0.999 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              0.038 
_reflns.pdbx_Rmerge_I_all                              ? 
_reflns.pdbx_Rsym_value                                ? 
_reflns.pdbx_CC_split_method                           ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_1                 ? 
_reflns.pdbx_aniso_diffraction_limit_2                 ? 
_reflns.pdbx_aniso_diffraction_limit_3                 ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_1               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_2               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_3               ? 
_reflns.pdbx_orthogonalization_convention              ? 
_reflns.pdbx_percent_possible_ellipsoidal              ? 
_reflns.pdbx_percent_possible_spherical                ? 
_reflns.pdbx_percent_possible_ellipsoidal_anomalous    ? 
_reflns.pdbx_percent_possible_spherical_anomalous      ? 
_reflns.pdbx_redundancy_anomalous                      ? 
_reflns.pdbx_CC_half_anomalous                         ? 
_reflns.pdbx_absDiff_over_sigma_anomalous              ? 
_reflns.pdbx_percent_possible_anomalous                ? 
_reflns.pdbx_observed_signal_threshold                 ? 
_reflns.pdbx_signal_type                               ? 
_reflns.pdbx_signal_details                            ? 
_reflns.pdbx_signal_software_id                        ? 
# 
_reflns_shell.d_res_high                                    1.60 
_reflns_shell.d_res_low                                     1.63 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           ? 
_reflns_shell.number_measured_all                           8346 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             1748 
_reflns_shell.percent_possible_obs                          98.3 
_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                               4.8 
_reflns_shell.pdbx_chi_squared                              0.69 
_reflns_shell.pdbx_netI_over_sigmaI_all                     ? 
_reflns_shell.pdbx_netI_over_sigmaI_obs                     3.9 
_reflns_shell.pdbx_Rrim_I_all                               0.361 
_reflns_shell.pdbx_Rpim_I_all                               0.162 
_reflns_shell.pdbx_rejects                                  ? 
_reflns_shell.pdbx_ordinal                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  0.913 
_reflns_shell.pdbx_CC_star                                  ? 
_reflns_shell.pdbx_R_split                                  ? 
_reflns_shell.percent_possible_all                          ? 
_reflns_shell.Rmerge_I_all                                  ? 
_reflns_shell.Rmerge_I_obs                                  0.321 
_reflns_shell.pdbx_Rsym_value                               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal             ? 
_reflns_shell.pdbx_percent_possible_spherical               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal_anomalous   ? 
_reflns_shell.pdbx_percent_possible_spherical_anomalous     ? 
_reflns_shell.pdbx_redundancy_anomalous                     ? 
_reflns_shell.pdbx_CC_half_anomalous                        ? 
_reflns_shell.pdbx_absDiff_over_sigma_anomalous             ? 
_reflns_shell.pdbx_percent_possible_anomalous               ? 
# 
_refine.aniso_B[1][1]                            0.01 
_refine.aniso_B[1][2]                            0.00 
_refine.aniso_B[1][3]                            -0.00 
_refine.aniso_B[2][2]                            -0.21 
_refine.aniso_B[2][3]                            0.00 
_refine.aniso_B[3][3]                            0.20 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               29.975 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               0.974 
_refine.correlation_coeff_Fo_to_Fc_free          0.966 
_refine.details                                  'HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS' 
_refine.diff_density_max                         ? 
_refine.diff_density_max_esd                     ? 
_refine.diff_density_min                         ? 
_refine.diff_density_min_esd                     ? 
_refine.diff_density_rms                         ? 
_refine.diff_density_rms_esd                     ? 
_refine.entry_id                                 8XV6 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_abs_structure_details                 ? 
_refine.ls_abs_structure_Flack                   ? 
_refine.ls_abs_structure_Flack_esd               ? 
_refine.ls_abs_structure_Rogers                  ? 
_refine.ls_abs_structure_Rogers_esd              ? 
_refine.ls_d_res_high                            1.60 
_refine.ls_d_res_low                             19.95 
_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                     32780 
_refine.ls_number_reflns_R_free                  1794 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.79 
_refine.ls_percent_reflns_R_free                 5.2 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.15307 
_refine.ls_R_factor_R_free                       0.16803 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.15228 
_refine.ls_R_Fsqd_factor_obs                     ? 
_refine.ls_R_I_factor_obs                        ? 
_refine.ls_redundancy_reflns_all                 ? 
_refine.ls_redundancy_reflns_obs                 ? 
_refine.ls_restrained_S_all                      ? 
_refine.ls_restrained_S_obs                      ? 
_refine.ls_shift_over_esd_max                    ? 
_refine.ls_shift_over_esd_mean                   ? 
_refine.ls_structure_factor_coef                 ? 
_refine.ls_weighting_details                     ? 
_refine.ls_weighting_scheme                      ? 
_refine.ls_wR_factor_all                         ? 
_refine.ls_wR_factor_obs                         ? 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_wR_factor_R_work                      ? 
_refine.occupancy_max                            ? 
_refine.occupancy_min                            ? 
_refine.solvent_model_details                    MASK 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_R_complete                          ? 
_refine.ls_R_factor_gt                           ? 
_refine.ls_goodness_of_fit_gt                    ? 
_refine.ls_goodness_of_fit_ref                   ? 
_refine.ls_shift_over_su_max                     ? 
_refine.ls_shift_over_su_max_lt                  ? 
_refine.ls_shift_over_su_mean                    ? 
_refine.ls_shift_over_su_mean_lt                 ? 
_refine.pdbx_ls_sigma_I                          ? 
_refine.pdbx_ls_sigma_F                          ? 
_refine.pdbx_ls_sigma_Fsqd                       ? 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.pdbx_ls_cross_valid_method               THROUGHOUT 
_refine.pdbx_method_to_determine_struct          'MOLECULAR REPLACEMENT' 
_refine.pdbx_starting_model                      ? 
_refine.pdbx_stereochemistry_target_values       'MAXIMUM LIKELIHOOD' 
_refine.pdbx_R_Free_selection_details            RANDOM 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_overall_ESU_R                       0.063 
_refine.pdbx_overall_ESU_R_Free                  0.062 
_refine.pdbx_solvent_vdw_probe_radii             1.20 
_refine.pdbx_solvent_ion_probe_radii             0.80 
_refine.pdbx_solvent_shrinkage_radii             0.80 
_refine.pdbx_real_space_R                        ? 
_refine.pdbx_density_correlation                 ? 
_refine.pdbx_pd_number_of_powder_patterns        ? 
_refine.pdbx_pd_number_of_points                 ? 
_refine.pdbx_pd_meas_number_of_points            ? 
_refine.pdbx_pd_proc_ls_prof_R_factor            ? 
_refine.pdbx_pd_proc_ls_prof_wR_factor           ? 
_refine.pdbx_pd_Marquardt_correlation_coeff      ? 
_refine.pdbx_pd_Fsqrd_R_factor                   ? 
_refine.pdbx_pd_ls_matrix_band_width             ? 
_refine.pdbx_overall_phase_error                 ? 
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI   ? 
_refine.pdbx_overall_SU_R_free_Blow_DPI          ? 
_refine.pdbx_overall_SU_R_Blow_DPI               ? 
_refine.pdbx_TLS_residual_ADP_flag               ? 
_refine.pdbx_diffrn_id                           1 
_refine.overall_SU_B                             1.693 
_refine.overall_SU_ML                            0.039 
_refine.overall_SU_R_Cruickshank_DPI             ? 
_refine.overall_SU_R_free                        ? 
_refine.overall_FOM_free_R_set                   ? 
_refine.overall_FOM_work_R_set                   ? 
_refine.pdbx_average_fsc_overall                 ? 
_refine.pdbx_average_fsc_work                    ? 
_refine.pdbx_average_fsc_free                    ? 
# 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.cycle_id                         1 
_refine_hist.details                          ? 
_refine_hist.d_res_high                       1.60 
_refine_hist.d_res_low                        19.95 
_refine_hist.number_atoms_solvent             122 
_refine_hist.number_atoms_total               1678 
_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        1522 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         34 
_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' ? 0.012  0.012  1585 ? r_bond_refined_d             ? ? 
'X-RAY DIFFRACTION' ? 0.002  0.016  1512 ? r_bond_other_d               ? ? 
'X-RAY DIFFRACTION' ? 1.810  1.875  2104 ? r_angle_refined_deg          ? ? 
'X-RAY DIFFRACTION' ? 0.831  1.847  3475 ? r_angle_other_deg            ? ? 
'X-RAY DIFFRACTION' ? 5.281  5.000  188  ? r_dihedral_angle_1_deg       ? ? 
'X-RAY DIFFRACTION' ? 9.729  5.000  21   ? r_dihedral_angle_2_deg       ? ? 
'X-RAY DIFFRACTION' ? 11.543 10.000 297  ? r_dihedral_angle_3_deg       ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_dihedral_angle_4_deg       ? ? 
'X-RAY DIFFRACTION' ? 0.094  0.200  224  ? r_chiral_restr               ? ? 
'X-RAY DIFFRACTION' ? 0.009  0.020  1854 ? r_gen_planes_refined         ? ? 
'X-RAY DIFFRACTION' ? 0.002  0.020  354  ? r_gen_planes_other           ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_nbd_refined                ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_nbd_other                  ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_nbtor_refined              ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_nbtor_other                ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_xyhbond_nbd_refined        ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_xyhbond_nbd_other          ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_metal_ion_refined          ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_metal_ion_other            ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_symmetry_vdw_refined       ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_symmetry_vdw_other         ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_symmetry_hbond_refined     ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_symmetry_hbond_other       ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_symmetry_metal_ion_refined ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_symmetry_metal_ion_other   ? ? 
'X-RAY DIFFRACTION' ? 1.638  1.770  764  ? r_mcbond_it                  ? ? 
'X-RAY DIFFRACTION' ? 1.513  1.761  758  ? r_mcbond_other               ? ? 
'X-RAY DIFFRACTION' ? 2.198  3.159  941  ? r_mcangle_it                 ? ? 
'X-RAY DIFFRACTION' ? 2.197  3.160  942  ? r_mcangle_other              ? ? 
'X-RAY DIFFRACTION' ? 2.687  2.099  821  ? r_scbond_it                  ? ? 
'X-RAY DIFFRACTION' ? 2.688  2.102  822  ? r_scbond_other               ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_scangle_it                 ? ? 
'X-RAY DIFFRACTION' ? 3.885  3.694  1163 ? r_scangle_other              ? ? 
'X-RAY DIFFRACTION' ? 6.321  18.99  1770 ? r_long_range_B_refined       ? ? 
'X-RAY DIFFRACTION' ? 6.320  18.99  1771 ? r_long_range_B_other         ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_rigid_bond_restr           ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_sphericity_free            ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_sphericity_bonded          ? ? 
# 
_refine_ls_shell.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_ls_shell.d_res_high                       1.600 
_refine_ls_shell.d_res_low                        1.641 
_refine_ls_shell.number_reflns_all                ? 
_refine_ls_shell.number_reflns_obs                ? 
_refine_ls_shell.number_reflns_R_free             126 
_refine_ls_shell.number_reflns_R_work             2377 
_refine_ls_shell.percent_reflns_obs               98.78 
_refine_ls_shell.percent_reflns_R_free            ? 
_refine_ls_shell.R_factor_all                     ? 
_refine_ls_shell.R_factor_obs                     ? 
_refine_ls_shell.R_factor_R_free_error            ? 
_refine_ls_shell.R_factor_R_work                  0.196 
_refine_ls_shell.redundancy_reflns_all            ? 
_refine_ls_shell.redundancy_reflns_obs            ? 
_refine_ls_shell.wR_factor_all                    ? 
_refine_ls_shell.wR_factor_obs                    ? 
_refine_ls_shell.wR_factor_R_free                 ? 
_refine_ls_shell.wR_factor_R_work                 ? 
_refine_ls_shell.pdbx_R_complete                  ? 
_refine_ls_shell.pdbx_total_number_of_bins_used   20 
_refine_ls_shell.pdbx_phase_error                 ? 
_refine_ls_shell.pdbx_fsc_work                    ? 
_refine_ls_shell.pdbx_fsc_free                    ? 
_refine_ls_shell.R_factor_R_free                  0.209 
# 
_struct.entry_id                     8XV6 
_struct.title                        'Crystal structure of PHD domain of UHRF1 in complex with mStella peptide (residues 85-119)' 
_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        8XV6 
_struct_keywords.text            'Inhibitor, Complex, GENE REGULATION' 
_struct_keywords.pdbx_keywords   'GENE REGULATION' 
# 
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 1 ? 
D N N 2 ? 
E N N 3 ? 
F N N 3 ? 
G N N 3 ? 
H N N 4 ? 
I N N 5 ? 
J N N 5 ? 
K N N 5 ? 
L N N 5 ? 
M N N 5 ? 
N N N 3 ? 
O N N 3 ? 
P N N 5 ? 
Q N N 5 ? 
R N N 5 ? 
S N N 5 ? 
T N N 5 ? 
U N N 3 ? 
V N N 6 ? 
W N N 6 ? 
X N N 6 ? 
Y N N 6 ? 
# 
loop_
_struct_ref.id 
_struct_ref.db_name 
_struct_ref.db_code 
_struct_ref.pdbx_db_accession 
_struct_ref.pdbx_db_isoform 
_struct_ref.entity_id 
_struct_ref.pdbx_seq_one_letter_code 
_struct_ref.pdbx_align_begin 
1 UNP UHRF1_HUMAN Q96T88 ? 1 SGPSCKHCKDDVNRLCRVCACHLCGGRQDPDKQLMCDECDMAFHIYCLDPPLSSVPSEDEWYCPECRNDA 298 
2 UNP DPPA3_MOUSE Q8QZY3 ? 2 KRRVRTLLSVLKDPIAKMRRLVRIEQRQKRLEGNE                                    85  
# 
loop_
_struct_ref_seq.align_id 
_struct_ref_seq.ref_id 
_struct_ref_seq.pdbx_PDB_id_code 
_struct_ref_seq.pdbx_strand_id 
_struct_ref_seq.seq_align_beg 
_struct_ref_seq.pdbx_seq_align_beg_ins_code 
_struct_ref_seq.seq_align_end 
_struct_ref_seq.pdbx_seq_align_end_ins_code 
_struct_ref_seq.pdbx_db_accession 
_struct_ref_seq.db_align_beg 
_struct_ref_seq.pdbx_db_align_beg_ins_code 
_struct_ref_seq.db_align_end 
_struct_ref_seq.pdbx_db_align_end_ins_code 
_struct_ref_seq.pdbx_auth_seq_align_beg 
_struct_ref_seq.pdbx_auth_seq_align_end 
1 1 8XV6 A 6 ? 75 ? Q96T88 298 ? 367 ? 298 367 
2 2 8XV6 B 1 ? 35 ? Q8QZY3 85  ? 119 ? 85  119 
3 1 8XV6 C 6 ? 75 ? Q96T88 298 ? 367 ? 298 367 
4 2 8XV6 D 1 ? 35 ? Q8QZY3 85  ? 119 ? 85  119 
# 
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 8XV6 GLY A 1 ? UNP Q96T88 ? ? 'expression tag' 293 1  
1 8XV6 PRO A 2 ? UNP Q96T88 ? ? 'expression tag' 294 2  
1 8XV6 LEU A 3 ? UNP Q96T88 ? ? 'expression tag' 295 3  
1 8XV6 GLY A 4 ? UNP Q96T88 ? ? 'expression tag' 296 4  
1 8XV6 SER A 5 ? UNP Q96T88 ? ? 'expression tag' 297 5  
3 8XV6 GLY C 1 ? UNP Q96T88 ? ? 'expression tag' 293 6  
3 8XV6 PRO C 2 ? UNP Q96T88 ? ? 'expression tag' 294 7  
3 8XV6 LEU C 3 ? UNP Q96T88 ? ? 'expression tag' 295 8  
3 8XV6 GLY C 4 ? UNP Q96T88 ? ? 'expression tag' 296 9  
3 8XV6 SER C 5 ? UNP Q96T88 ? ? 'expression tag' 297 10 
# 
loop_
_pdbx_struct_assembly.id 
_pdbx_struct_assembly.details 
_pdbx_struct_assembly.method_details 
_pdbx_struct_assembly.oligomeric_details 
_pdbx_struct_assembly.oligomeric_count 
1 author_and_software_defined_assembly PISA dimeric 2 
2 author_and_software_defined_assembly PISA dimeric 2 
# 
loop_
_pdbx_struct_assembly_prop.biol_id 
_pdbx_struct_assembly_prop.type 
_pdbx_struct_assembly_prop.value 
_pdbx_struct_assembly_prop.details 
1 'ABSA (A^2)' 2950 ? 
1 MORE         -88  ? 
1 'SSA (A^2)'  6190 ? 
2 'ABSA (A^2)' 2760 ? 
2 MORE         -84  ? 
2 'SSA (A^2)'  5980 ? 
# 
loop_
_pdbx_struct_assembly_gen.assembly_id 
_pdbx_struct_assembly_gen.oper_expression 
_pdbx_struct_assembly_gen.asym_id_list 
1 1 A,B,E,F,G,H,I,J,K,L,M,V,W 
2 1 C,D,N,O,P,Q,R,S,T,U,X,Y   
# 
_pdbx_struct_assembly_auth_evidence.id                     1 
_pdbx_struct_assembly_auth_evidence.assembly_id            1 
_pdbx_struct_assembly_auth_evidence.experimental_support   'gel filtration' 
_pdbx_struct_assembly_auth_evidence.details                ? 
# 
_pdbx_struct_oper_list.id                   1 
_pdbx_struct_oper_list.type                 'identity operation' 
_pdbx_struct_oper_list.name                 1_555 
_pdbx_struct_oper_list.symmetry_operation   x,y,z 
_pdbx_struct_oper_list.matrix[1][1]         1.0000000000 
_pdbx_struct_oper_list.matrix[1][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[1][3]         0.0000000000 
_pdbx_struct_oper_list.vector[1]            0.0000000000 
_pdbx_struct_oper_list.matrix[2][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[2][2]         1.0000000000 
_pdbx_struct_oper_list.matrix[2][3]         0.0000000000 
_pdbx_struct_oper_list.vector[2]            0.0000000000 
_pdbx_struct_oper_list.matrix[3][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][3]         1.0000000000 
_pdbx_struct_oper_list.vector[3]            0.0000000000 
# 
loop_
_struct_conf.conf_type_id 
_struct_conf.id 
_struct_conf.pdbx_PDB_helix_id 
_struct_conf.beg_label_comp_id 
_struct_conf.beg_label_asym_id 
_struct_conf.beg_label_seq_id 
_struct_conf.pdbx_beg_PDB_ins_code 
_struct_conf.end_label_comp_id 
_struct_conf.end_label_asym_id 
_struct_conf.end_label_seq_id 
_struct_conf.pdbx_end_PDB_ins_code 
_struct_conf.beg_auth_comp_id 
_struct_conf.beg_auth_asym_id 
_struct_conf.beg_auth_seq_id 
_struct_conf.end_auth_comp_id 
_struct_conf.end_auth_asym_id 
_struct_conf.end_auth_seq_id 
_struct_conf.pdbx_PDB_helix_class 
_struct_conf.details 
_struct_conf.pdbx_PDB_helix_length 
HELX_P HELX_P1 AA1 ASP A 34 ? ASP A 36 ? ASP A 326 ASP A 328 5 ? 3  
HELX_P HELX_P2 AA2 CYS A 68 ? ASN A 73 ? CYS A 360 ASN A 365 1 ? 6  
HELX_P HELX_P3 AA3 THR B 6  ? LYS B 12 ? THR B 90  LYS B 96  1 ? 7  
HELX_P HELX_P4 AA4 ASP B 13 ? LYS B 29 ? ASP B 97  LYS B 113 1 ? 17 
HELX_P HELX_P5 AA5 ASP C 34 ? ASP C 36 ? ASP C 326 ASP C 328 5 ? 3  
HELX_P HELX_P6 AA6 CYS C 68 ? ASN C 73 ? CYS C 360 ASN C 365 1 ? 6  
HELX_P HELX_P7 AA7 THR D 6  ? LYS D 12 ? THR D 90  LYS D 96  1 ? 7  
HELX_P HELX_P8 AA8 ASP D 13 ? LYS D 29 ? ASP D 97  LYS D 113 1 ? 17 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
loop_
_struct_conn.id 
_struct_conn.conn_type_id 
_struct_conn.pdbx_leaving_atom_flag 
_struct_conn.pdbx_PDB_id 
_struct_conn.ptnr1_label_asym_id 
_struct_conn.ptnr1_label_comp_id 
_struct_conn.ptnr1_label_seq_id 
_struct_conn.ptnr1_label_atom_id 
_struct_conn.pdbx_ptnr1_label_alt_id 
_struct_conn.pdbx_ptnr1_PDB_ins_code 
_struct_conn.pdbx_ptnr1_standard_comp_id 
_struct_conn.ptnr1_symmetry 
_struct_conn.ptnr2_label_asym_id 
_struct_conn.ptnr2_label_comp_id 
_struct_conn.ptnr2_label_seq_id 
_struct_conn.ptnr2_label_atom_id 
_struct_conn.pdbx_ptnr2_label_alt_id 
_struct_conn.pdbx_ptnr2_PDB_ins_code 
_struct_conn.ptnr1_auth_asym_id 
_struct_conn.ptnr1_auth_comp_id 
_struct_conn.ptnr1_auth_seq_id 
_struct_conn.ptnr2_auth_asym_id 
_struct_conn.ptnr2_auth_comp_id 
_struct_conn.ptnr2_auth_seq_id 
_struct_conn.ptnr2_symmetry 
_struct_conn.pdbx_ptnr3_label_atom_id 
_struct_conn.pdbx_ptnr3_label_seq_id 
_struct_conn.pdbx_ptnr3_label_comp_id 
_struct_conn.pdbx_ptnr3_label_asym_id 
_struct_conn.pdbx_ptnr3_label_alt_id 
_struct_conn.pdbx_ptnr3_PDB_ins_code 
_struct_conn.details 
_struct_conn.pdbx_dist_value 
_struct_conn.pdbx_value_order 
_struct_conn.pdbx_role 
metalc1  metalc ? ? A CYS 10 SG  ? ? ? 1_555 I ZN  . ZN ? ? A CYS 302 A ZN  405 1_555 ? ? ? ? ? ? ? 2.307 ? ? 
metalc2  metalc ? ? A HIS 12 ND1 ? ? ? 1_555 M ZN  . ZN ? ? A HIS 304 A ZN  409 4_555 ? ? ? ? ? ? ? 1.993 ? ? 
metalc3  metalc ? ? A CYS 13 SG  ? ? ? 1_555 I ZN  . ZN ? ? A CYS 305 A ZN  405 1_555 ? ? ? ? ? ? ? 2.285 ? ? 
metalc4  metalc ? ? A ASP 15 OD1 ? ? ? 1_555 J ZN  . ZN ? ? A ASP 307 A ZN  406 1_555 ? ? ? ? ? ? ? 1.919 ? ? 
metalc5  metalc ? ? A CYS 21 SG  ? ? ? 1_555 I ZN  . ZN ? ? A CYS 313 A ZN  405 1_555 ? ? ? ? ? ? ? 2.264 ? ? 
metalc6  metalc ? ? A CYS 24 SG  ? ? ? 1_555 I ZN  . ZN ? ? A CYS 316 A ZN  405 1_555 ? ? ? ? ? ? ? 2.411 ? ? 
metalc7  metalc ? ? A CYS 24 SG  ? ? ? 1_555 J ZN  . ZN ? ? A CYS 316 A ZN  406 1_555 ? ? ? ? ? ? ? 2.209 ? ? 
metalc8  metalc ? ? A CYS 26 SG  ? ? ? 1_555 K ZN  . ZN ? ? A CYS 318 A ZN  407 1_555 ? ? ? ? ? ? ? 2.311 ? ? 
metalc9  metalc ? ? A HIS 27 NE2 ? ? ? 1_555 M ZN  . ZN ? ? A HIS 319 A ZN  409 1_555 ? ? ? ? ? ? ? 2.046 ? ? 
metalc10 metalc ? ? A CYS 29 SG  ? ? ? 1_555 K ZN  . ZN ? ? A CYS 321 A ZN  407 1_555 ? ? ? ? ? ? ? 2.274 ? ? 
metalc11 metalc ? ? A CYS 41 SG  ? ? ? 1_555 L ZN  . ZN ? ? A CYS 333 A ZN  408 1_555 ? ? ? ? ? ? ? 2.349 ? ? 
metalc12 metalc ? ? A CYS 44 SG  ? ? ? 1_555 L ZN  . ZN ? ? A CYS 336 A ZN  408 1_555 ? ? ? ? ? ? ? 2.382 ? ? 
metalc13 metalc ? ? A HIS 49 ND1 ? ? ? 1_555 K ZN  . ZN ? ? A HIS 341 A ZN  407 1_555 ? ? ? ? ? ? ? 2.078 ? ? 
metalc14 metalc ? ? A CYS 52 SG  ? ? ? 1_555 K ZN  . ZN ? ? A CYS 344 A ZN  407 1_555 ? ? ? ? ? ? ? 2.254 ? ? 
metalc15 metalc ? ? A CYS 68 SG  ? ? ? 1_555 L ZN  . ZN ? ? A CYS 360 A ZN  408 1_555 ? ? ? ? ? ? ? 2.376 ? ? 
metalc16 metalc ? ? A GLU 70 OE1 ? ? ? 1_555 M ZN  . ZN ? ? A GLU 362 A ZN  409 1_555 ? ? ? ? ? ? ? 2.020 ? ? 
metalc17 metalc ? ? A CYS 71 SG  ? ? ? 1_555 L ZN  . ZN ? ? A CYS 363 A ZN  408 1_555 ? ? ? ? ? ? ? 2.214 ? ? 
metalc18 metalc ? ? E SCN .  N   ? ? ? 1_555 J ZN  . ZN ? ? A SCN 401 A ZN  406 1_555 ? ? ? ? ? ? ? 2.014 ? ? 
metalc19 metalc ? ? F SCN .  N   ? ? ? 1_555 M ZN  . ZN ? ? A SCN 402 A ZN  409 1_555 ? ? ? ? ? ? ? 1.924 ? ? 
metalc20 metalc ? ? G SCN .  N   ? ? ? 1_555 J ZN  . ZN ? ? A SCN 403 A ZN  406 1_555 ? ? ? ? ? ? ? 1.993 ? ? 
metalc21 metalc ? ? C CYS 10 SG  ? ? ? 1_555 Q ZN  . ZN ? ? C CYS 302 C ZN  404 1_555 ? ? ? ? ? ? ? 2.272 ? ? 
metalc22 metalc ? ? C HIS 12 ND1 ? ? ? 1_555 T ZN  . ZN ? ? C HIS 304 C ZN  407 3_655 ? ? ? ? ? ? ? 1.998 ? ? 
metalc23 metalc ? ? C CYS 13 SG  ? ? ? 1_555 Q ZN  . ZN ? ? C CYS 305 C ZN  404 1_555 ? ? ? ? ? ? ? 2.259 ? ? 
metalc24 metalc ? ? C ASP 15 OD1 ? ? ? 1_555 P ZN  . ZN ? ? C ASP 307 C ZN  403 1_555 ? ? ? ? ? ? ? 1.988 ? ? 
metalc25 metalc ? ? C CYS 21 SG  ? ? ? 1_555 Q ZN  . ZN ? ? C CYS 313 C ZN  404 1_555 ? ? ? ? ? ? ? 2.268 ? ? 
metalc26 metalc ? ? C CYS 24 SG  ? ? ? 1_555 P ZN  . ZN ? ? C CYS 316 C ZN  403 1_555 ? ? ? ? ? ? ? 2.271 ? ? 
metalc27 metalc ? ? C CYS 24 SG  ? ? ? 1_555 Q ZN  . ZN ? ? C CYS 316 C ZN  404 1_555 ? ? ? ? ? ? ? 2.373 ? ? 
metalc28 metalc ? ? C CYS 26 SG  ? ? ? 1_555 R ZN  . ZN ? ? C CYS 318 C ZN  405 1_555 ? ? ? ? ? ? ? 2.372 ? ? 
metalc29 metalc ? ? C HIS 27 NE2 ? ? ? 1_555 T ZN  . ZN ? ? C HIS 319 C ZN  407 1_555 ? ? ? ? ? ? ? 2.065 ? ? 
metalc30 metalc ? ? C CYS 29 SG  ? ? ? 1_555 R ZN  . ZN ? ? C CYS 321 C ZN  405 1_555 ? ? ? ? ? ? ? 2.269 ? ? 
metalc31 metalc ? ? C CYS 41 SG  ? ? ? 1_555 S ZN  . ZN ? ? C CYS 333 C ZN  406 1_555 ? ? ? ? ? ? ? 2.355 ? ? 
metalc32 metalc ? ? C CYS 44 SG  ? ? ? 1_555 S ZN  . ZN ? ? C CYS 336 C ZN  406 1_555 ? ? ? ? ? ? ? 2.336 ? ? 
metalc33 metalc ? ? C HIS 49 ND1 ? ? ? 1_555 R ZN  . ZN ? ? C HIS 341 C ZN  405 1_555 ? ? ? ? ? ? ? 2.104 ? ? 
metalc34 metalc ? ? C CYS 52 SG  ? ? ? 1_555 R ZN  . ZN ? ? C CYS 344 C ZN  405 1_555 ? ? ? ? ? ? ? 2.275 ? ? 
metalc35 metalc ? ? C CYS 68 SG  ? ? ? 1_555 S ZN  . ZN ? ? C CYS 360 C ZN  406 1_555 ? ? ? ? ? ? ? 2.325 ? ? 
metalc36 metalc ? ? C GLU 70 OE1 ? ? ? 1_555 T ZN  . ZN ? ? C GLU 362 C ZN  407 1_555 ? ? ? ? ? ? ? 2.182 ? ? 
metalc37 metalc ? ? C GLU 70 OE2 ? ? ? 1_555 T ZN  . ZN ? ? C GLU 362 C ZN  407 1_555 ? ? ? ? ? ? ? 2.046 ? ? 
metalc38 metalc ? ? C CYS 71 SG  ? ? ? 1_555 S ZN  . ZN ? ? C CYS 363 C ZN  406 1_555 ? ? ? ? ? ? ? 2.262 ? ? 
metalc39 metalc ? ? N SCN .  N   ? ? ? 1_555 P ZN  . ZN ? ? C SCN 401 C ZN  403 1_555 ? ? ? ? ? ? ? 1.962 ? ? 
metalc40 metalc ? ? O SCN .  S   ? ? ? 1_555 T ZN  . ZN ? ? C SCN 402 C ZN  407 1_555 ? ? ? ? ? ? ? 2.343 ? ? 
metalc41 metalc ? ? P ZN  .  ZN  ? ? ? 1_555 U SCN . N  ? ? C ZN  403 D SCN 201 1_555 ? ? ? ? ? ? ? 2.044 ? ? 
# 
_struct_conn_type.id          metalc 
_struct_conn_type.criteria    ? 
_struct_conn_type.reference   ? 
# 
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  SG  ? A CYS 10 ? A CYS 302 ? 1_555 ZN ? I ZN . ? A ZN 405 ? 1_555 SG  ? A CYS 13 ? A CYS 305 ? 1_555 109.3 ? 
2  SG  ? A CYS 10 ? A CYS 302 ? 1_555 ZN ? I ZN . ? A ZN 405 ? 1_555 SG  ? A CYS 21 ? A CYS 313 ? 1_555 117.3 ? 
3  SG  ? A CYS 13 ? A CYS 305 ? 1_555 ZN ? I ZN . ? A ZN 405 ? 1_555 SG  ? A CYS 21 ? A CYS 313 ? 1_555 109.9 ? 
4  SG  ? A CYS 10 ? A CYS 302 ? 1_555 ZN ? I ZN . ? A ZN 405 ? 1_555 SG  ? A CYS 24 ? A CYS 316 ? 1_555 99.7  ? 
5  SG  ? A CYS 13 ? A CYS 305 ? 1_555 ZN ? I ZN . ? A ZN 405 ? 1_555 SG  ? A CYS 24 ? A CYS 316 ? 1_555 108.2 ? 
6  SG  ? A CYS 21 ? A CYS 313 ? 1_555 ZN ? I ZN . ? A ZN 405 ? 1_555 SG  ? A CYS 24 ? A CYS 316 ? 1_555 111.8 ? 
7  ND1 ? A HIS 12 ? A HIS 304 ? 1_555 ZN ? M ZN . ? A ZN 409 ? 4_555 NE2 ? A HIS 27 ? A HIS 319 ? 1_555 80.2  ? 
8  ND1 ? A HIS 12 ? A HIS 304 ? 1_555 ZN ? M ZN . ? A ZN 409 ? 4_555 OE1 ? A GLU 70 ? A GLU 362 ? 1_555 89.9  ? 
9  NE2 ? A HIS 27 ? A HIS 319 ? 1_555 ZN ? M ZN . ? A ZN 409 ? 4_555 OE1 ? A GLU 70 ? A GLU 362 ? 1_555 9.9   ? 
10 ND1 ? A HIS 12 ? A HIS 304 ? 1_555 ZN ? M ZN . ? A ZN 409 ? 4_555 N   ? F SCN .  ? A SCN 402 ? 1_555 95.4  ? 
11 NE2 ? A HIS 27 ? A HIS 319 ? 1_555 ZN ? M ZN . ? A ZN 409 ? 4_555 N   ? F SCN .  ? A SCN 402 ? 1_555 15.3  ? 
12 OE1 ? A GLU 70 ? A GLU 362 ? 1_555 ZN ? M ZN . ? A ZN 409 ? 4_555 N   ? F SCN .  ? A SCN 402 ? 1_555 5.5   ? 
13 OD1 ? A ASP 15 ? A ASP 307 ? 1_555 ZN ? J ZN . ? A ZN 406 ? 1_555 SG  ? A CYS 24 ? A CYS 316 ? 1_555 108.1 ? 
14 OD1 ? A ASP 15 ? A ASP 307 ? 1_555 ZN ? J ZN . ? A ZN 406 ? 1_555 N   ? E SCN .  ? A SCN 401 ? 1_555 113.8 ? 
15 SG  ? A CYS 24 ? A CYS 316 ? 1_555 ZN ? J ZN . ? A ZN 406 ? 1_555 N   ? E SCN .  ? A SCN 401 ? 1_555 114.1 ? 
16 OD1 ? A ASP 15 ? A ASP 307 ? 1_555 ZN ? J ZN . ? A ZN 406 ? 1_555 N   ? G SCN .  ? A SCN 403 ? 1_555 101.2 ? 
17 SG  ? A CYS 24 ? A CYS 316 ? 1_555 ZN ? J ZN . ? A ZN 406 ? 1_555 N   ? G SCN .  ? A SCN 403 ? 1_555 105.6 ? 
18 N   ? E SCN .  ? A SCN 401 ? 1_555 ZN ? J ZN . ? A ZN 406 ? 1_555 N   ? G SCN .  ? A SCN 403 ? 1_555 112.9 ? 
19 SG  ? A CYS 26 ? A CYS 318 ? 1_555 ZN ? K ZN . ? A ZN 407 ? 1_555 SG  ? A CYS 29 ? A CYS 321 ? 1_555 112.6 ? 
20 SG  ? A CYS 26 ? A CYS 318 ? 1_555 ZN ? K ZN . ? A ZN 407 ? 1_555 ND1 ? A HIS 49 ? A HIS 341 ? 1_555 97.8  ? 
21 SG  ? A CYS 29 ? A CYS 321 ? 1_555 ZN ? K ZN . ? A ZN 407 ? 1_555 ND1 ? A HIS 49 ? A HIS 341 ? 1_555 99.9  ? 
22 SG  ? A CYS 26 ? A CYS 318 ? 1_555 ZN ? K ZN . ? A ZN 407 ? 1_555 SG  ? A CYS 52 ? A CYS 344 ? 1_555 120.4 ? 
23 SG  ? A CYS 29 ? A CYS 321 ? 1_555 ZN ? K ZN . ? A ZN 407 ? 1_555 SG  ? A CYS 52 ? A CYS 344 ? 1_555 110.8 ? 
24 ND1 ? A HIS 49 ? A HIS 341 ? 1_555 ZN ? K ZN . ? A ZN 407 ? 1_555 SG  ? A CYS 52 ? A CYS 344 ? 1_555 112.8 ? 
25 SG  ? A CYS 41 ? A CYS 333 ? 1_555 ZN ? L ZN . ? A ZN 408 ? 1_555 SG  ? A CYS 44 ? A CYS 336 ? 1_555 105.5 ? 
26 SG  ? A CYS 41 ? A CYS 333 ? 1_555 ZN ? L ZN . ? A ZN 408 ? 1_555 SG  ? A CYS 68 ? A CYS 360 ? 1_555 111.4 ? 
27 SG  ? A CYS 44 ? A CYS 336 ? 1_555 ZN ? L ZN . ? A ZN 408 ? 1_555 SG  ? A CYS 68 ? A CYS 360 ? 1_555 111.0 ? 
28 SG  ? A CYS 41 ? A CYS 333 ? 1_555 ZN ? L ZN . ? A ZN 408 ? 1_555 SG  ? A CYS 71 ? A CYS 363 ? 1_555 106.4 ? 
29 SG  ? A CYS 44 ? A CYS 336 ? 1_555 ZN ? L ZN . ? A ZN 408 ? 1_555 SG  ? A CYS 71 ? A CYS 363 ? 1_555 111.0 ? 
30 SG  ? A CYS 68 ? A CYS 360 ? 1_555 ZN ? L ZN . ? A ZN 408 ? 1_555 SG  ? A CYS 71 ? A CYS 363 ? 1_555 111.3 ? 
31 SG  ? C CYS 10 ? C CYS 302 ? 1_555 ZN ? Q ZN . ? C ZN 404 ? 1_555 SG  ? C CYS 13 ? C CYS 305 ? 1_555 110.1 ? 
32 SG  ? C CYS 10 ? C CYS 302 ? 1_555 ZN ? Q ZN . ? C ZN 404 ? 1_555 SG  ? C CYS 21 ? C CYS 313 ? 1_555 116.6 ? 
33 SG  ? C CYS 13 ? C CYS 305 ? 1_555 ZN ? Q ZN . ? C ZN 404 ? 1_555 SG  ? C CYS 21 ? C CYS 313 ? 1_555 109.6 ? 
34 SG  ? C CYS 10 ? C CYS 302 ? 1_555 ZN ? Q ZN . ? C ZN 404 ? 1_555 SG  ? C CYS 24 ? C CYS 316 ? 1_555 98.9  ? 
35 SG  ? C CYS 13 ? C CYS 305 ? 1_555 ZN ? Q ZN . ? C ZN 404 ? 1_555 SG  ? C CYS 24 ? C CYS 316 ? 1_555 109.9 ? 
36 SG  ? C CYS 21 ? C CYS 313 ? 1_555 ZN ? Q ZN . ? C ZN 404 ? 1_555 SG  ? C CYS 24 ? C CYS 316 ? 1_555 111.2 ? 
37 ND1 ? C HIS 12 ? C HIS 304 ? 1_555 ZN ? T ZN . ? C ZN 407 ? 3_655 NE2 ? C HIS 27 ? C HIS 319 ? 1_555 77.1  ? 
38 ND1 ? C HIS 12 ? C HIS 304 ? 1_555 ZN ? T ZN . ? C ZN 407 ? 3_655 OE1 ? C GLU 70 ? C GLU 362 ? 1_555 87.3  ? 
39 NE2 ? C HIS 27 ? C HIS 319 ? 1_555 ZN ? T ZN . ? C ZN 407 ? 3_655 OE1 ? C GLU 70 ? C GLU 362 ? 1_555 10.4  ? 
40 ND1 ? C HIS 12 ? C HIS 304 ? 1_555 ZN ? T ZN . ? C ZN 407 ? 3_655 OE2 ? C GLU 70 ? C GLU 362 ? 1_555 81.9  ? 
41 NE2 ? C HIS 27 ? C HIS 319 ? 1_555 ZN ? T ZN . ? C ZN 407 ? 3_655 OE2 ? C GLU 70 ? C GLU 362 ? 1_555 9.0   ? 
42 OE1 ? C GLU 70 ? C GLU 362 ? 1_555 ZN ? T ZN . ? C ZN 407 ? 3_655 OE2 ? C GLU 70 ? C GLU 362 ? 1_555 8.1   ? 
43 ND1 ? C HIS 12 ? C HIS 304 ? 1_555 ZN ? T ZN . ? C ZN 407 ? 3_655 S   ? O SCN .  ? C SCN 402 ? 1_555 93.4  ? 
44 NE2 ? C HIS 27 ? C HIS 319 ? 1_555 ZN ? T ZN . ? C ZN 407 ? 3_655 S   ? O SCN .  ? C SCN 402 ? 1_555 17.3  ? 
45 OE1 ? C GLU 70 ? C GLU 362 ? 1_555 ZN ? T ZN . ? C ZN 407 ? 3_655 S   ? O SCN .  ? C SCN 402 ? 1_555 7.3   ? 
46 OE2 ? C GLU 70 ? C GLU 362 ? 1_555 ZN ? T ZN . ? C ZN 407 ? 3_655 S   ? O SCN .  ? C SCN 402 ? 1_555 11.7  ? 
47 OD1 ? C ASP 15 ? C ASP 307 ? 1_555 ZN ? P ZN . ? C ZN 403 ? 1_555 SG  ? C CYS 24 ? C CYS 316 ? 1_555 109.3 ? 
48 OD1 ? C ASP 15 ? C ASP 307 ? 1_555 ZN ? P ZN . ? C ZN 403 ? 1_555 N   ? N SCN .  ? C SCN 401 ? 1_555 112.9 ? 
49 SG  ? C CYS 24 ? C CYS 316 ? 1_555 ZN ? P ZN . ? C ZN 403 ? 1_555 N   ? N SCN .  ? C SCN 401 ? 1_555 111.6 ? 
50 OD1 ? C ASP 15 ? C ASP 307 ? 1_555 ZN ? P ZN . ? C ZN 403 ? 1_555 N   ? U SCN .  ? D SCN 201 ? 1_555 102.5 ? 
51 SG  ? C CYS 24 ? C CYS 316 ? 1_555 ZN ? P ZN . ? C ZN 403 ? 1_555 N   ? U SCN .  ? D SCN 201 ? 1_555 108.7 ? 
52 N   ? N SCN .  ? C SCN 401 ? 1_555 ZN ? P ZN . ? C ZN 403 ? 1_555 N   ? U SCN .  ? D SCN 201 ? 1_555 111.4 ? 
53 SG  ? C CYS 26 ? C CYS 318 ? 1_555 ZN ? R ZN . ? C ZN 405 ? 1_555 SG  ? C CYS 29 ? C CYS 321 ? 1_555 112.3 ? 
54 SG  ? C CYS 26 ? C CYS 318 ? 1_555 ZN ? R ZN . ? C ZN 405 ? 1_555 ND1 ? C HIS 49 ? C HIS 341 ? 1_555 99.6  ? 
55 SG  ? C CYS 29 ? C CYS 321 ? 1_555 ZN ? R ZN . ? C ZN 405 ? 1_555 ND1 ? C HIS 49 ? C HIS 341 ? 1_555 101.2 ? 
56 SG  ? C CYS 26 ? C CYS 318 ? 1_555 ZN ? R ZN . ? C ZN 405 ? 1_555 SG  ? C CYS 52 ? C CYS 344 ? 1_555 119.7 ? 
57 SG  ? C CYS 29 ? C CYS 321 ? 1_555 ZN ? R ZN . ? C ZN 405 ? 1_555 SG  ? C CYS 52 ? C CYS 344 ? 1_555 111.9 ? 
58 ND1 ? C HIS 49 ? C HIS 341 ? 1_555 ZN ? R ZN . ? C ZN 405 ? 1_555 SG  ? C CYS 52 ? C CYS 344 ? 1_555 109.6 ? 
59 SG  ? C CYS 41 ? C CYS 333 ? 1_555 ZN ? S ZN . ? C ZN 406 ? 1_555 SG  ? C CYS 44 ? C CYS 336 ? 1_555 106.2 ? 
60 SG  ? C CYS 41 ? C CYS 333 ? 1_555 ZN ? S ZN . ? C ZN 406 ? 1_555 SG  ? C CYS 68 ? C CYS 360 ? 1_555 111.6 ? 
61 SG  ? C CYS 44 ? C CYS 336 ? 1_555 ZN ? S ZN . ? C ZN 406 ? 1_555 SG  ? C CYS 68 ? C CYS 360 ? 1_555 111.3 ? 
62 SG  ? C CYS 41 ? C CYS 333 ? 1_555 ZN ? S ZN . ? C ZN 406 ? 1_555 SG  ? C CYS 71 ? C CYS 363 ? 1_555 105.8 ? 
63 SG  ? C CYS 44 ? C CYS 336 ? 1_555 ZN ? S ZN . ? C ZN 406 ? 1_555 SG  ? C CYS 71 ? C CYS 363 ? 1_555 109.5 ? 
64 SG  ? C CYS 68 ? C CYS 360 ? 1_555 ZN ? S ZN . ? C ZN 406 ? 1_555 SG  ? C CYS 71 ? C CYS 363 ? 1_555 112.1 ? 
# 
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 ASP 54 A . ? ASP 346 A PRO 55 A ? PRO 347 A 1 1.85 
2 ASP 54 C . ? ASP 346 C PRO 55 C ? PRO 347 C 1 5.10 
# 
loop_
_struct_sheet.id 
_struct_sheet.type 
_struct_sheet.number_strands 
_struct_sheet.details 
AA1 ? 2 ? 
AA2 ? 2 ? 
# 
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 
# 
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 38 ? MET A 40 ? GLN A 330 MET A 332 
AA1 2 ALA A 47 ? HIS A 49 ? ALA A 339 HIS A 341 
AA2 1 GLN C 38 ? MET C 40 ? GLN C 330 MET C 332 
AA2 2 ALA C 47 ? HIS C 49 ? ALA C 339 HIS C 341 
# 
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 LEU A 39 ? N LEU A 331 O PHE A 48 ? O PHE A 340 
AA2 1 2 N LEU C 39 ? N LEU C 331 O PHE C 48 ? O PHE C 340 
# 
_pdbx_entry_details.entry_id                   8XV6 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.has_ligand_of_interest     Y 
_pdbx_entry_details.has_protein_modification   N 
# 
loop_
_pdbx_validate_close_contact.id 
_pdbx_validate_close_contact.PDB_model_num 
_pdbx_validate_close_contact.auth_atom_id_1 
_pdbx_validate_close_contact.auth_asym_id_1 
_pdbx_validate_close_contact.auth_comp_id_1 
_pdbx_validate_close_contact.auth_seq_id_1 
_pdbx_validate_close_contact.PDB_ins_code_1 
_pdbx_validate_close_contact.label_alt_id_1 
_pdbx_validate_close_contact.auth_atom_id_2 
_pdbx_validate_close_contact.auth_asym_id_2 
_pdbx_validate_close_contact.auth_comp_id_2 
_pdbx_validate_close_contact.auth_seq_id_2 
_pdbx_validate_close_contact.PDB_ins_code_2 
_pdbx_validate_close_contact.label_alt_id_2 
_pdbx_validate_close_contact.dist 
1 1 O B ARG 87 ? ? O B HOH 201 ? ? 1.97 
2 1 O B ARG 87 ? ? O B HOH 202 ? ? 2.18 
# 
loop_
_pdbx_validate_rmsd_angle.id 
_pdbx_validate_rmsd_angle.PDB_model_num 
_pdbx_validate_rmsd_angle.auth_atom_id_1 
_pdbx_validate_rmsd_angle.auth_asym_id_1 
_pdbx_validate_rmsd_angle.auth_comp_id_1 
_pdbx_validate_rmsd_angle.auth_seq_id_1 
_pdbx_validate_rmsd_angle.PDB_ins_code_1 
_pdbx_validate_rmsd_angle.label_alt_id_1 
_pdbx_validate_rmsd_angle.auth_atom_id_2 
_pdbx_validate_rmsd_angle.auth_asym_id_2 
_pdbx_validate_rmsd_angle.auth_comp_id_2 
_pdbx_validate_rmsd_angle.auth_seq_id_2 
_pdbx_validate_rmsd_angle.PDB_ins_code_2 
_pdbx_validate_rmsd_angle.label_alt_id_2 
_pdbx_validate_rmsd_angle.auth_atom_id_3 
_pdbx_validate_rmsd_angle.auth_asym_id_3 
_pdbx_validate_rmsd_angle.auth_comp_id_3 
_pdbx_validate_rmsd_angle.auth_seq_id_3 
_pdbx_validate_rmsd_angle.PDB_ins_code_3 
_pdbx_validate_rmsd_angle.label_alt_id_3 
_pdbx_validate_rmsd_angle.angle_value 
_pdbx_validate_rmsd_angle.angle_target_value 
_pdbx_validate_rmsd_angle.angle_deviation 
_pdbx_validate_rmsd_angle.angle_standard_deviation 
_pdbx_validate_rmsd_angle.linker_flag 
1 1 NE  A ARG 314 ? B CZ A ARG 314 ? B NH1 A ARG 314 ? B 124.16 120.30 3.86   0.50 N 
2 1 NE  A ARG 314 ? B CZ A ARG 314 ? B NH2 A ARG 314 ? B 117.23 120.30 -3.07  0.50 N 
3 1 N   B VAL 88  ? ? CA B VAL 88  ? ? CB  B VAL 88  ? ? 96.25  111.50 -15.25 2.20 N 
4 1 OE1 C GLU 362 ? ? CD C GLU 362 ? ? OE2 C GLU 362 ? ? 115.60 123.30 -7.70  1.20 N 
# 
loop_
_pdbx_validate_torsion.id 
_pdbx_validate_torsion.PDB_model_num 
_pdbx_validate_torsion.auth_comp_id 
_pdbx_validate_torsion.auth_asym_id 
_pdbx_validate_torsion.auth_seq_id 
_pdbx_validate_torsion.PDB_ins_code 
_pdbx_validate_torsion.label_alt_id 
_pdbx_validate_torsion.phi 
_pdbx_validate_torsion.psi 
1 1 ALA A 317 ? ? -123.21 -155.72 
2 1 GLU A 335 ? ? -98.86  -60.18  
3 1 LYS C 306 ? ? 57.35   18.34   
4 1 ALA C 317 ? ? -126.56 -157.02 
5 1 GLU C 335 ? ? -105.19 -61.01  
# 
loop_
_pdbx_validate_planes.id 
_pdbx_validate_planes.PDB_model_num 
_pdbx_validate_planes.auth_comp_id 
_pdbx_validate_planes.auth_asym_id 
_pdbx_validate_planes.auth_seq_id 
_pdbx_validate_planes.PDB_ins_code 
_pdbx_validate_planes.label_alt_id 
_pdbx_validate_planes.rmsd 
_pdbx_validate_planes.type 
1 1 ARG A 311 ? ? 0.083 'SIDE CHAIN' 
2 1 ARG B 111 ? ? 0.155 'SIDE CHAIN' 
# 
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 13.0390 2.0312   10.4449 0.0266 ? 0.0389 ? 0.0138 ? 0.0594 ? 0.0234 ? 0.0299 ? 1.4609 ? -1.5044 ? 
-0.5134 ? 4.0655 ? 1.1457  ? 3.3900 ? -0.0700 ? -0.0731 ? 0.0576  ? 0.1197  ? 0.2032  ? -0.0527 ? -0.0498 ? -0.1055 ? -0.1332 ? 
2 'X-RAY DIFFRACTION' ? refined 4.7003  -3.7882  14.5301 0.1055 ? 0.0426 ? 0.0603 ? 0.1615 ? 0.0382 ? 0.1560 ? 4.1246 ? 1.6848  ? 
2.5281  ? 4.2007 ? 3.2057  ? 8.1966 ? 0.0164  ? -0.2243 ? 0.0124  ? 0.1482  ? -0.2053 ? 0.4851  ? 0.2429  ? -0.7639 ? 0.1889  ? 
3 'X-RAY DIFFRACTION' ? refined 32.7565 -14.5901 13.3681 0.0597 ? 0.0472 ? 0.0159 ? 0.0409 ? 0.0119 ? 0.0162 ? 3.6474 ? -1.6325 ? 
1.3284  ? 2.2827 ? -0.7251 ? 2.8896 ? 0.0953  ? 0.0405  ? -0.0377 ? -0.0685 ? -0.0955 ? 0.0363  ? 0.1170  ? 0.0360  ? 0.0002  ? 
4 'X-RAY DIFFRACTION' ? refined 39.4797 -6.5797  9.1058  0.1309 ? 0.0540 ? 0.0214 ? 0.1045 ? 0.0821 ? 0.1491 ? 4.6329 ? 1.9307  ? 
2.4750  ? 4.4962 ? 2.5409  ? 6.8182 ? -0.1461 ? 0.2051  ? 0.5164  ? -0.1853 ? -0.0472 ? -0.1553 ? -0.5351 ? 0.3008  ? 0.1933  ? 
# 
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 299 ? ? ? A 366 ? ? ? 
2 'X-RAY DIFFRACTION' 2 ? ? B 87  ? ? ? B 113 ? ? ? 
3 'X-RAY DIFFRACTION' 3 ? ? C 299 ? ? ? C 366 ? ? ? 
4 'X-RAY DIFFRACTION' 4 ? ? D 87  ? ? ? D 113 ? ? ? 
# 
loop_
_pdbx_unobs_or_zero_occ_residues.id 
_pdbx_unobs_or_zero_occ_residues.PDB_model_num 
_pdbx_unobs_or_zero_occ_residues.polymer_flag 
_pdbx_unobs_or_zero_occ_residues.occupancy_flag 
_pdbx_unobs_or_zero_occ_residues.auth_asym_id 
_pdbx_unobs_or_zero_occ_residues.auth_comp_id 
_pdbx_unobs_or_zero_occ_residues.auth_seq_id 
_pdbx_unobs_or_zero_occ_residues.PDB_ins_code 
_pdbx_unobs_or_zero_occ_residues.label_asym_id 
_pdbx_unobs_or_zero_occ_residues.label_comp_id 
_pdbx_unobs_or_zero_occ_residues.label_seq_id 
1  1 Y 1 A GLY 293 ? A GLY 1  
2  1 Y 1 A PRO 294 ? A PRO 2  
3  1 Y 1 A LEU 295 ? A LEU 3  
4  1 Y 1 A GLY 296 ? A GLY 4  
5  1 Y 1 A SER 297 ? A SER 5  
6  1 Y 1 A SER 298 ? A SER 6  
7  1 Y 1 A ALA 367 ? A ALA 75 
8  1 Y 1 B LYS 85  ? B LYS 1  
9  1 Y 1 B ARG 86  ? B ARG 2  
10 1 Y 1 B ARG 114 ? B ARG 30 
11 1 Y 1 B LEU 115 ? B LEU 31 
12 1 Y 1 B GLU 116 ? B GLU 32 
13 1 Y 1 B GLY 117 ? B GLY 33 
14 1 Y 1 B ASN 118 ? B ASN 34 
15 1 Y 1 B GLU 119 ? B GLU 35 
16 1 Y 1 C GLY 293 ? C GLY 1  
17 1 Y 1 C PRO 294 ? C PRO 2  
18 1 Y 1 C LEU 295 ? C LEU 3  
19 1 Y 1 C GLY 296 ? C GLY 4  
20 1 Y 1 C SER 297 ? C SER 5  
21 1 Y 1 C SER 298 ? C SER 6  
22 1 Y 1 C ALA 367 ? C ALA 75 
23 1 Y 1 D LYS 85  ? D LYS 1  
24 1 Y 1 D ARG 86  ? D ARG 2  
25 1 Y 1 D ARG 114 ? D ARG 30 
26 1 Y 1 D LEU 115 ? D LEU 31 
27 1 Y 1 D GLU 116 ? D GLU 32 
28 1 Y 1 D GLY 117 ? D GLY 33 
29 1 Y 1 D ASN 118 ? D ASN 34 
30 1 Y 1 D GLU 119 ? D GLU 35 
# 
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.pdbx_ordinal 
ALA N    N  N N 1   
ALA CA   C  N S 2   
ALA C    C  N N 3   
ALA O    O  N N 4   
ALA CB   C  N N 5   
ALA OXT  O  N N 6   
ALA H    H  N N 7   
ALA H2   H  N N 8   
ALA HA   H  N N 9   
ALA HB1  H  N N 10  
ALA HB2  H  N N 11  
ALA HB3  H  N N 12  
ALA HXT  H  N N 13  
ARG N    N  N N 14  
ARG CA   C  N S 15  
ARG C    C  N N 16  
ARG O    O  N N 17  
ARG CB   C  N N 18  
ARG CG   C  N N 19  
ARG CD   C  N N 20  
ARG NE   N  N N 21  
ARG CZ   C  N N 22  
ARG NH1  N  N N 23  
ARG NH2  N  N N 24  
ARG OXT  O  N N 25  
ARG H    H  N N 26  
ARG H2   H  N N 27  
ARG HA   H  N N 28  
ARG HB2  H  N N 29  
ARG HB3  H  N N 30  
ARG HG2  H  N N 31  
ARG HG3  H  N N 32  
ARG HD2  H  N N 33  
ARG HD3  H  N N 34  
ARG HE   H  N N 35  
ARG HH11 H  N N 36  
ARG HH12 H  N N 37  
ARG HH21 H  N N 38  
ARG HH22 H  N N 39  
ARG HXT  H  N N 40  
ASN N    N  N N 41  
ASN CA   C  N S 42  
ASN C    C  N N 43  
ASN O    O  N N 44  
ASN CB   C  N N 45  
ASN CG   C  N N 46  
ASN OD1  O  N N 47  
ASN ND2  N  N N 48  
ASN OXT  O  N N 49  
ASN H    H  N N 50  
ASN H2   H  N N 51  
ASN HA   H  N N 52  
ASN HB2  H  N N 53  
ASN HB3  H  N N 54  
ASN HD21 H  N N 55  
ASN HD22 H  N N 56  
ASN HXT  H  N N 57  
ASP N    N  N N 58  
ASP CA   C  N S 59  
ASP C    C  N N 60  
ASP O    O  N N 61  
ASP CB   C  N N 62  
ASP CG   C  N N 63  
ASP OD1  O  N N 64  
ASP OD2  O  N N 65  
ASP OXT  O  N N 66  
ASP H    H  N N 67  
ASP H2   H  N N 68  
ASP HA   H  N N 69  
ASP HB2  H  N N 70  
ASP HB3  H  N N 71  
ASP HD2  H  N N 72  
ASP HXT  H  N N 73  
CYS N    N  N N 74  
CYS CA   C  N R 75  
CYS C    C  N N 76  
CYS O    O  N N 77  
CYS CB   C  N N 78  
CYS SG   S  N N 79  
CYS OXT  O  N N 80  
CYS H    H  N N 81  
CYS H2   H  N N 82  
CYS HA   H  N N 83  
CYS HB2  H  N N 84  
CYS HB3  H  N N 85  
CYS HG   H  N N 86  
CYS HXT  H  N N 87  
GLN N    N  N N 88  
GLN CA   C  N S 89  
GLN C    C  N N 90  
GLN O    O  N N 91  
GLN CB   C  N N 92  
GLN CG   C  N N 93  
GLN CD   C  N N 94  
GLN OE1  O  N N 95  
GLN NE2  N  N N 96  
GLN OXT  O  N N 97  
GLN H    H  N N 98  
GLN H2   H  N N 99  
GLN HA   H  N N 100 
GLN HB2  H  N N 101 
GLN HB3  H  N N 102 
GLN HG2  H  N N 103 
GLN HG3  H  N N 104 
GLN HE21 H  N N 105 
GLN HE22 H  N N 106 
GLN HXT  H  N N 107 
GLU N    N  N N 108 
GLU CA   C  N S 109 
GLU C    C  N N 110 
GLU O    O  N N 111 
GLU CB   C  N N 112 
GLU CG   C  N N 113 
GLU CD   C  N N 114 
GLU OE1  O  N N 115 
GLU OE2  O  N N 116 
GLU OXT  O  N N 117 
GLU H    H  N N 118 
GLU H2   H  N N 119 
GLU HA   H  N N 120 
GLU HB2  H  N N 121 
GLU HB3  H  N N 122 
GLU HG2  H  N N 123 
GLU HG3  H  N N 124 
GLU HE2  H  N N 125 
GLU HXT  H  N N 126 
GLY N    N  N N 127 
GLY CA   C  N N 128 
GLY C    C  N N 129 
GLY O    O  N N 130 
GLY OXT  O  N N 131 
GLY H    H  N N 132 
GLY H2   H  N N 133 
GLY HA2  H  N N 134 
GLY HA3  H  N N 135 
GLY HXT  H  N N 136 
GOL C1   C  N N 137 
GOL O1   O  N N 138 
GOL C2   C  N N 139 
GOL O2   O  N N 140 
GOL C3   C  N N 141 
GOL O3   O  N N 142 
GOL H11  H  N N 143 
GOL H12  H  N N 144 
GOL HO1  H  N N 145 
GOL H2   H  N N 146 
GOL HO2  H  N N 147 
GOL H31  H  N N 148 
GOL H32  H  N N 149 
GOL HO3  H  N N 150 
HIS N    N  N N 151 
HIS CA   C  N S 152 
HIS C    C  N N 153 
HIS O    O  N N 154 
HIS CB   C  N N 155 
HIS CG   C  Y N 156 
HIS ND1  N  Y N 157 
HIS CD2  C  Y N 158 
HIS CE1  C  Y N 159 
HIS NE2  N  Y N 160 
HIS OXT  O  N N 161 
HIS H    H  N N 162 
HIS H2   H  N N 163 
HIS HA   H  N N 164 
HIS HB2  H  N N 165 
HIS HB3  H  N N 166 
HIS HD1  H  N N 167 
HIS HD2  H  N N 168 
HIS HE1  H  N N 169 
HIS HE2  H  N N 170 
HIS HXT  H  N N 171 
HOH O    O  N N 172 
HOH H1   H  N N 173 
HOH H2   H  N N 174 
ILE N    N  N N 175 
ILE CA   C  N S 176 
ILE C    C  N N 177 
ILE O    O  N N 178 
ILE CB   C  N S 179 
ILE CG1  C  N N 180 
ILE CG2  C  N N 181 
ILE CD1  C  N N 182 
ILE OXT  O  N N 183 
ILE H    H  N N 184 
ILE H2   H  N N 185 
ILE HA   H  N N 186 
ILE HB   H  N N 187 
ILE HG12 H  N N 188 
ILE HG13 H  N N 189 
ILE HG21 H  N N 190 
ILE HG22 H  N N 191 
ILE HG23 H  N N 192 
ILE HD11 H  N N 193 
ILE HD12 H  N N 194 
ILE HD13 H  N N 195 
ILE HXT  H  N N 196 
LEU N    N  N N 197 
LEU CA   C  N S 198 
LEU C    C  N N 199 
LEU O    O  N N 200 
LEU CB   C  N N 201 
LEU CG   C  N N 202 
LEU CD1  C  N N 203 
LEU CD2  C  N N 204 
LEU OXT  O  N N 205 
LEU H    H  N N 206 
LEU H2   H  N N 207 
LEU HA   H  N N 208 
LEU HB2  H  N N 209 
LEU HB3  H  N N 210 
LEU HG   H  N N 211 
LEU HD11 H  N N 212 
LEU HD12 H  N N 213 
LEU HD13 H  N N 214 
LEU HD21 H  N N 215 
LEU HD22 H  N N 216 
LEU HD23 H  N N 217 
LEU HXT  H  N N 218 
LYS N    N  N N 219 
LYS CA   C  N S 220 
LYS C    C  N N 221 
LYS O    O  N N 222 
LYS CB   C  N N 223 
LYS CG   C  N N 224 
LYS CD   C  N N 225 
LYS CE   C  N N 226 
LYS NZ   N  N N 227 
LYS OXT  O  N N 228 
LYS H    H  N N 229 
LYS H2   H  N N 230 
LYS HA   H  N N 231 
LYS HB2  H  N N 232 
LYS HB3  H  N N 233 
LYS HG2  H  N N 234 
LYS HG3  H  N N 235 
LYS HD2  H  N N 236 
LYS HD3  H  N N 237 
LYS HE2  H  N N 238 
LYS HE3  H  N N 239 
LYS HZ1  H  N N 240 
LYS HZ2  H  N N 241 
LYS HZ3  H  N N 242 
LYS HXT  H  N N 243 
MET N    N  N N 244 
MET CA   C  N S 245 
MET C    C  N N 246 
MET O    O  N N 247 
MET CB   C  N N 248 
MET CG   C  N N 249 
MET SD   S  N N 250 
MET CE   C  N N 251 
MET OXT  O  N N 252 
MET H    H  N N 253 
MET H2   H  N N 254 
MET HA   H  N N 255 
MET HB2  H  N N 256 
MET HB3  H  N N 257 
MET HG2  H  N N 258 
MET HG3  H  N N 259 
MET HE1  H  N N 260 
MET HE2  H  N N 261 
MET HE3  H  N N 262 
MET HXT  H  N N 263 
PHE N    N  N N 264 
PHE CA   C  N S 265 
PHE C    C  N N 266 
PHE O    O  N N 267 
PHE CB   C  N N 268 
PHE CG   C  Y N 269 
PHE CD1  C  Y N 270 
PHE CD2  C  Y N 271 
PHE CE1  C  Y N 272 
PHE CE2  C  Y N 273 
PHE CZ   C  Y N 274 
PHE OXT  O  N N 275 
PHE H    H  N N 276 
PHE H2   H  N N 277 
PHE HA   H  N N 278 
PHE HB2  H  N N 279 
PHE HB3  H  N N 280 
PHE HD1  H  N N 281 
PHE HD2  H  N N 282 
PHE HE1  H  N N 283 
PHE HE2  H  N N 284 
PHE HZ   H  N N 285 
PHE HXT  H  N N 286 
PRO N    N  N N 287 
PRO CA   C  N S 288 
PRO C    C  N N 289 
PRO O    O  N N 290 
PRO CB   C  N N 291 
PRO CG   C  N N 292 
PRO CD   C  N N 293 
PRO OXT  O  N N 294 
PRO H    H  N N 295 
PRO HA   H  N N 296 
PRO HB2  H  N N 297 
PRO HB3  H  N N 298 
PRO HG2  H  N N 299 
PRO HG3  H  N N 300 
PRO HD2  H  N N 301 
PRO HD3  H  N N 302 
PRO HXT  H  N N 303 
SCN S    S  N N 304 
SCN C    C  N N 305 
SCN N    N  N N 306 
SER N    N  N N 307 
SER CA   C  N S 308 
SER C    C  N N 309 
SER O    O  N N 310 
SER CB   C  N N 311 
SER OG   O  N N 312 
SER OXT  O  N N 313 
SER H    H  N N 314 
SER H2   H  N N 315 
SER HA   H  N N 316 
SER HB2  H  N N 317 
SER HB3  H  N N 318 
SER HG   H  N N 319 
SER HXT  H  N N 320 
THR N    N  N N 321 
THR CA   C  N S 322 
THR C    C  N N 323 
THR O    O  N N 324 
THR CB   C  N R 325 
THR OG1  O  N N 326 
THR CG2  C  N N 327 
THR OXT  O  N N 328 
THR H    H  N N 329 
THR H2   H  N N 330 
THR HA   H  N N 331 
THR HB   H  N N 332 
THR HG1  H  N N 333 
THR HG21 H  N N 334 
THR HG22 H  N N 335 
THR HG23 H  N N 336 
THR HXT  H  N N 337 
TRP N    N  N N 338 
TRP CA   C  N S 339 
TRP C    C  N N 340 
TRP O    O  N N 341 
TRP CB   C  N N 342 
TRP CG   C  Y N 343 
TRP CD1  C  Y N 344 
TRP CD2  C  Y N 345 
TRP NE1  N  Y N 346 
TRP CE2  C  Y N 347 
TRP CE3  C  Y N 348 
TRP CZ2  C  Y N 349 
TRP CZ3  C  Y N 350 
TRP CH2  C  Y N 351 
TRP OXT  O  N N 352 
TRP H    H  N N 353 
TRP H2   H  N N 354 
TRP HA   H  N N 355 
TRP HB2  H  N N 356 
TRP HB3  H  N N 357 
TRP HD1  H  N N 358 
TRP HE1  H  N N 359 
TRP HE3  H  N N 360 
TRP HZ2  H  N N 361 
TRP HZ3  H  N N 362 
TRP HH2  H  N N 363 
TRP HXT  H  N N 364 
TYR N    N  N N 365 
TYR CA   C  N S 366 
TYR C    C  N N 367 
TYR O    O  N N 368 
TYR CB   C  N N 369 
TYR CG   C  Y N 370 
TYR CD1  C  Y N 371 
TYR CD2  C  Y N 372 
TYR CE1  C  Y N 373 
TYR CE2  C  Y N 374 
TYR CZ   C  Y N 375 
TYR OH   O  N N 376 
TYR OXT  O  N N 377 
TYR H    H  N N 378 
TYR H2   H  N N 379 
TYR HA   H  N N 380 
TYR HB2  H  N N 381 
TYR HB3  H  N N 382 
TYR HD1  H  N N 383 
TYR HD2  H  N N 384 
TYR HE1  H  N N 385 
TYR HE2  H  N N 386 
TYR HH   H  N N 387 
TYR HXT  H  N N 388 
VAL N    N  N N 389 
VAL CA   C  N S 390 
VAL C    C  N N 391 
VAL O    O  N N 392 
VAL CB   C  N N 393 
VAL CG1  C  N N 394 
VAL CG2  C  N N 395 
VAL OXT  O  N N 396 
VAL H    H  N N 397 
VAL H2   H  N N 398 
VAL HA   H  N N 399 
VAL HB   H  N N 400 
VAL HG11 H  N N 401 
VAL HG12 H  N N 402 
VAL HG13 H  N N 403 
VAL HG21 H  N N 404 
VAL HG22 H  N N 405 
VAL HG23 H  N N 406 
VAL HXT  H  N N 407 
ZN  ZN   ZN N N 408 
# 
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 
SCN S   C    sing N N 290 
SCN C   N    trip N N 291 
SER N   CA   sing N N 292 
SER N   H    sing N N 293 
SER N   H2   sing N N 294 
SER CA  C    sing N N 295 
SER CA  CB   sing N N 296 
SER CA  HA   sing N N 297 
SER C   O    doub N N 298 
SER C   OXT  sing N N 299 
SER CB  OG   sing N N 300 
SER CB  HB2  sing N N 301 
SER CB  HB3  sing N N 302 
SER OG  HG   sing N N 303 
SER OXT HXT  sing N N 304 
THR N   CA   sing N N 305 
THR N   H    sing N N 306 
THR N   H2   sing N N 307 
THR CA  C    sing N N 308 
THR CA  CB   sing N N 309 
THR CA  HA   sing N N 310 
THR C   O    doub N N 311 
THR C   OXT  sing N N 312 
THR CB  OG1  sing N N 313 
THR CB  CG2  sing N N 314 
THR CB  HB   sing N N 315 
THR OG1 HG1  sing N N 316 
THR CG2 HG21 sing N N 317 
THR CG2 HG22 sing N N 318 
THR CG2 HG23 sing N N 319 
THR OXT HXT  sing N N 320 
TRP N   CA   sing N N 321 
TRP N   H    sing N N 322 
TRP N   H2   sing N N 323 
TRP CA  C    sing N N 324 
TRP CA  CB   sing N N 325 
TRP CA  HA   sing N N 326 
TRP C   O    doub N N 327 
TRP C   OXT  sing N N 328 
TRP CB  CG   sing N N 329 
TRP CB  HB2  sing N N 330 
TRP CB  HB3  sing N N 331 
TRP CG  CD1  doub Y N 332 
TRP CG  CD2  sing Y N 333 
TRP CD1 NE1  sing Y N 334 
TRP CD1 HD1  sing N N 335 
TRP CD2 CE2  doub Y N 336 
TRP CD2 CE3  sing Y N 337 
TRP NE1 CE2  sing Y N 338 
TRP NE1 HE1  sing N N 339 
TRP CE2 CZ2  sing Y N 340 
TRP CE3 CZ3  doub Y N 341 
TRP CE3 HE3  sing N N 342 
TRP CZ2 CH2  doub Y N 343 
TRP CZ2 HZ2  sing N N 344 
TRP CZ3 CH2  sing Y N 345 
TRP CZ3 HZ3  sing N N 346 
TRP CH2 HH2  sing N N 347 
TRP OXT HXT  sing N N 348 
TYR N   CA   sing N N 349 
TYR N   H    sing N N 350 
TYR N   H2   sing N N 351 
TYR CA  C    sing N N 352 
TYR CA  CB   sing N N 353 
TYR CA  HA   sing N N 354 
TYR C   O    doub N N 355 
TYR C   OXT  sing N N 356 
TYR CB  CG   sing N N 357 
TYR CB  HB2  sing N N 358 
TYR CB  HB3  sing N N 359 
TYR CG  CD1  doub Y N 360 
TYR CG  CD2  sing Y N 361 
TYR CD1 CE1  sing Y N 362 
TYR CD1 HD1  sing N N 363 
TYR CD2 CE2  doub Y N 364 
TYR CD2 HD2  sing N N 365 
TYR CE1 CZ   doub Y N 366 
TYR CE1 HE1  sing N N 367 
TYR CE2 CZ   sing Y N 368 
TYR CE2 HE2  sing N N 369 
TYR CZ  OH   sing N N 370 
TYR OH  HH   sing N N 371 
TYR OXT HXT  sing N N 372 
VAL N   CA   sing N N 373 
VAL N   H    sing N N 374 
VAL N   H2   sing N N 375 
VAL CA  C    sing N N 376 
VAL CA  CB   sing N N 377 
VAL CA  HA   sing N N 378 
VAL C   O    doub N N 379 
VAL C   OXT  sing N N 380 
VAL CB  CG1  sing N N 381 
VAL CB  CG2  sing N N 382 
VAL CB  HB   sing N N 383 
VAL CG1 HG11 sing N N 384 
VAL CG1 HG12 sing N N 385 
VAL CG1 HG13 sing N N 386 
VAL CG2 HG21 sing N N 387 
VAL CG2 HG22 sing N N 388 
VAL CG2 HG23 sing N N 389 
VAL OXT HXT  sing N N 390 
# 
_pdbx_audit_support.funding_organization   'National Basic Research Program of China (973 Program)' 
_pdbx_audit_support.country                China 
_pdbx_audit_support.grant_number           2022YFA1303101 
_pdbx_audit_support.ordinal                1 
# 
_atom_sites.entry_id                    8XV6 
_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]   0.014096 
_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]   0.013207 
_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]   0.010365 
_atom_sites.fract_transf_vector[1]      0.00000 
_atom_sites.fract_transf_vector[2]      0.00000 
_atom_sites.fract_transf_vector[3]      0.00000 
_atom_sites.solution_primary            ? 
_atom_sites.solution_secondary          ? 
_atom_sites.solution_hydrogens          ? 
_atom_sites.special_details             ? 
# 
loop_
_atom_type.symbol 
C  
N  
O  
S  
ZN 
# 
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 7  ? 0.632  -17.725 9.429  1.00 63.11 ? 299 GLY A N   1 
ATOM   2    C  CA  . GLY A 1 7  ? 0.564  -16.305 9.817  1.00 60.70 ? 299 GLY A CA  1 
ATOM   3    C  C   . GLY A 1 7  ? 1.204  -15.405 8.774  1.00 54.99 ? 299 GLY A C   1 
ATOM   4    O  O   . GLY A 1 7  ? 1.720  -15.926 7.765  1.00 53.43 ? 299 GLY A O   1 
ATOM   5    N  N   . PRO A 1 8  ? 1.195  -14.070 8.962  1.00 51.92 ? 300 PRO A N   1 
ATOM   6    C  CA  . PRO A 1 8  ? 1.726  -13.159 7.959  1.00 46.77 ? 300 PRO A CA  1 
ATOM   7    C  C   . PRO A 1 8  ? 3.244  -13.272 7.860  1.00 42.93 ? 300 PRO A C   1 
ATOM   8    O  O   . PRO A 1 8  ? 3.921  -13.527 8.868  1.00 40.74 ? 300 PRO A O   1 
ATOM   9    C  CB  . PRO A 1 8  ? 1.277  -11.755 8.406  1.00 47.47 ? 300 PRO A CB  1 
ATOM   10   C  CG  . PRO A 1 8  ? 0.639  -11.937 9.772  1.00 49.43 ? 300 PRO A CG  1 
ATOM   11   C  CD  . PRO A 1 8  ? 0.665  -13.407 10.127 1.00 52.78 ? 300 PRO A CD  1 
ATOM   12   N  N   . SER A 1 9  ? 3.773  -13.020 6.658  1.00 38.51 ? 301 SER A N   1 
ATOM   13   C  CA  . SER A 1 9  ? 5.215  -13.126 6.334  1.00 35.90 ? 301 SER A CA  1 
ATOM   14   C  C   . SER A 1 9  ? 5.521  -12.096 5.239  1.00 32.36 ? 301 SER A C   1 
ATOM   15   O  O   . SER A 1 9  ? 4.770  -12.030 4.269  1.00 34.32 ? 301 SER A O   1 
ATOM   16   C  CB  . SER A 1 9  ? 5.525  -14.495 5.857  1.00 40.56 ? 301 SER A CB  1 
ATOM   17   O  OG  . SER A 1 9  ? 6.912  -14.620 5.619  1.00 43.08 ? 301 SER A OG  1 
ATOM   18   N  N   . CYS A 1 10 ? 6.562  -11.300 5.414  1.00 27.21 ? 302 CYS A N   1 
ATOM   19   C  CA  . CYS A 1 10 ? 6.854  -10.202 4.475  1.00 26.61 ? 302 CYS A CA  1 
ATOM   20   C  C   . CYS A 1 10 ? 7.223  -10.770 3.102  1.00 25.55 ? 302 CYS A C   1 
ATOM   21   O  O   . CYS A 1 10 ? 8.045  -11.685 3.024  1.00 26.67 ? 302 CYS A O   1 
ATOM   22   C  CB  . CYS A 1 10 ? 7.962  -9.367  5.062  1.00 24.26 ? 302 CYS A CB  1 
ATOM   23   S  SG  . CYS A 1 10 ? 8.600  -8.077  3.953  1.00 23.09 ? 302 CYS A SG  1 
ATOM   24   N  N   . LYS A 1 11 ? 6.634  -10.215 2.040  1.00 26.88 ? 303 LYS A N   1 
ATOM   25   C  CA  . LYS A 1 11 ? 6.910  -10.734 0.674  1.00 28.47 ? 303 LYS A CA  1 
ATOM   26   C  C   . LYS A 1 11 ? 8.342  -10.379 0.274  1.00 25.44 ? 303 LYS A C   1 
ATOM   27   O  O   . LYS A 1 11 ? 8.930  -11.110 -0.565 1.00 28.22 ? 303 LYS A O   1 
ATOM   28   C  CB  . LYS A 1 11 ? 5.916  -10.291 -0.411 1.00 35.56 ? 303 LYS A CB  1 
ATOM   29   C  CG  . LYS A 1 11 ? 5.976  -8.863  -0.897 1.00 39.07 ? 303 LYS A CG  1 
ATOM   30   C  CD  . LYS A 1 11 ? 5.015  -8.528  -2.036 1.00 41.88 ? 303 LYS A CD  1 
ATOM   31   C  CE  . LYS A 1 11 ? 5.262  -9.334  -3.273 1.00 44.66 ? 303 LYS A CE  1 
ATOM   32   N  NZ  . LYS A 1 11 ? 4.263  -9.039  -4.289 1.00 45.60 ? 303 LYS A NZ  1 
ATOM   33   N  N   . HIS A 1 12 ? 8.916  -9.350  0.891  1.00 23.81 ? 304 HIS A N   1 
ATOM   34   C  CA  . HIS A 1 12 ? 10.287 -8.880  0.555  1.00 23.50 ? 304 HIS A CA  1 
ATOM   35   C  C   . HIS A 1 12 ? 11.327 -9.741  1.271  1.00 22.61 ? 304 HIS A C   1 
ATOM   36   O  O   . HIS A 1 12 ? 12.199 -10.304 0.582  1.00 25.00 ? 304 HIS A O   1 
ATOM   37   C  CB  . HIS A 1 12 ? 10.508 -7.422  0.938  1.00 22.70 ? 304 HIS A CB  1 
ATOM   38   C  CG  . HIS A 1 12 ? 11.718 -6.908  0.294  1.00 24.80 ? 304 HIS A CG  1 
ATOM   39   N  ND1 . HIS A 1 12 ? 11.714 -6.386  -0.980 1.00 26.64 ? 304 HIS A ND1 1 
ATOM   40   C  CD2 . HIS A 1 12 ? 12.987 -6.824  0.742  1.00 28.22 ? 304 HIS A CD2 1 
ATOM   41   C  CE1 . HIS A 1 12 ? 12.958 -6.018  -1.305 1.00 27.19 ? 304 HIS A CE1 1 
ATOM   42   N  NE2 . HIS A 1 12 ? 13.753 -6.280  -0.274 1.00 27.64 ? 304 HIS A NE2 1 
ATOM   43   N  N   . CYS A 1 13 ? 11.227 -9.889  2.594  1.00 21.83 ? 305 CYS A N   1 
ATOM   44   C  CA  . CYS A 1 13 ? 12.320 -10.480 3.399  1.00 22.13 ? 305 CYS A CA  1 
ATOM   45   C  C   . CYS A 1 13 ? 11.930 -11.766 4.127  1.00 22.48 ? 305 CYS A C   1 
ATOM   46   O  O   . CYS A 1 13 ? 12.847 -12.380 4.722  1.00 23.56 ? 305 CYS A O   1 
ATOM   47   C  CB  . CYS A 1 13 ? 12.825 -9.485  4.447  1.00 21.22 ? 305 CYS A CB  1 
ATOM   48   S  SG  . CYS A 1 13 ? 11.666 -9.178  5.800  1.00 22.15 ? 305 CYS A SG  1 
ATOM   49   N  N   . LYS A 1 14 ? 10.652 -12.152 4.110  1.00 23.14 ? 306 LYS A N   1 
ATOM   50   C  CA  . LYS A 1 14 ? 10.147 -13.374 4.792  1.00 26.48 ? 306 LYS A CA  1 
ATOM   51   C  C   . LYS A 1 14 ? 10.423 -13.265 6.299  1.00 25.98 ? 306 LYS A C   1 
ATOM   52   O  O   . LYS A 1 14 ? 10.357 -14.323 6.963  1.00 28.71 ? 306 LYS A O   1 
ATOM   53   C  CB  . LYS A 1 14 ? 10.771 -14.612 4.145  1.00 29.26 ? 306 LYS A CB  1 
ATOM   54   C  CG  . LYS A 1 14 ? 10.402 -14.746 2.695  1.00 33.09 ? 306 LYS A CG  1 
ATOM   55   C  CD  . LYS A 1 14 ? 8.943  -15.200 2.630  1.00 41.12 ? 306 LYS A CD  1 
ATOM   56   C  CE  . LYS A 1 14 ? 8.419  -15.700 1.324  1.00 49.20 ? 306 LYS A CE  1 
ATOM   57   N  NZ  . LYS A 1 14 ? 7.438  -14.760 0.772  1.00 53.24 ? 306 LYS A NZ  1 
ATOM   58   N  N   . ASP A 1 15 ? 10.619 -12.039 6.797  1.00 24.15 ? 307 ASP A N   1 
ATOM   59   C  CA  . ASP A 1 15 ? 10.966 -11.751 8.217  1.00 25.90 ? 307 ASP A CA  1 
ATOM   60   C  C   . ASP A 1 15 ? 12.178 -12.609 8.594  1.00 26.84 ? 307 ASP A C   1 
ATOM   61   O  O   . ASP A 1 15 ? 12.263 -13.057 9.770  1.00 28.33 ? 307 ASP A O   1 
ATOM   62   C  CB  . ASP A 1 15 ? 9.745  -11.904 9.105  1.00 28.31 ? 307 ASP A CB  1 
ATOM   63   C  CG  . ASP A 1 15 ? 8.699  -10.849 8.763  1.00 25.26 ? 307 ASP A CG  1 
ATOM   64   O  OD1 . ASP A 1 15 ? 9.030  -9.653  8.900  1.00 27.09 ? 307 ASP A OD1 1 
ATOM   65   O  OD2 . ASP A 1 15 ? 7.630  -11.283 8.248  1.00 27.30 ? 307 ASP A OD2 1 
ATOM   66   N  N   . ASP A 1 16 ? 13.073 -12.846 7.636  1.00 25.65 ? 308 ASP A N   1 
ATOM   67   C  CA  . ASP A 1 16 ? 14.336 -13.593 7.896  1.00 25.37 ? 308 ASP A CA  1 
ATOM   68   C  C   . ASP A 1 16 ? 15.343 -12.590 8.466  1.00 23.45 ? 308 ASP A C   1 
ATOM   69   O  O   . ASP A 1 16 ? 15.706 -11.646 7.750  1.00 23.93 ? 308 ASP A O   1 
ATOM   70   C  CB  . ASP A 1 16 ? 14.848 -14.193 6.604  1.00 27.89 ? 308 ASP A CB  1 
ATOM   71   C  CG  . ASP A 1 16 ? 16.152 -14.962 6.659  1.00 30.00 ? 308 ASP A CG  1 
ATOM   72   O  OD1 . ASP A 1 16 ? 16.860 -14.869 7.685  1.00 29.30 ? 308 ASP A OD1 1 
ATOM   73   O  OD2 . ASP A 1 16 ? 16.364 -15.720 5.685  1.00 33.02 ? 308 ASP A OD2 1 
ATOM   74   N  N   . VAL A 1 17 ? 15.786 -12.804 9.691  1.00 25.65 ? 309 VAL A N   1 
ATOM   75   C  CA  . VAL A 1 17 ? 16.671 -11.846 10.423 1.00 24.95 ? 309 VAL A CA  1 
ATOM   76   C  C   . VAL A 1 17 ? 18.030 -11.745 9.706  1.00 23.45 ? 309 VAL A C   1 
ATOM   77   O  O   . VAL A 1 17 ? 18.730 -10.771 9.981  1.00 24.40 ? 309 VAL A O   1 
ATOM   78   C  CB  . VAL A 1 17 ? 16.841 -12.309 11.885 1.00 29.17 ? 309 VAL A CB  1 
ATOM   79   C  CG1 . VAL A 1 17 ? 15.512 -12.382 12.622 1.00 34.36 ? 309 VAL A CG1 1 
ATOM   80   C  CG2 . VAL A 1 17 ? 17.604 -13.623 12.021 1.00 31.59 ? 309 VAL A CG2 1 
ATOM   81   N  N   . ASN A 1 18 ? 18.357 -12.664 8.805  1.00 24.27 ? 310 ASN A N   1 
ATOM   82   C  CA  . ASN A 1 18 ? 19.649 -12.628 8.066  1.00 24.06 ? 310 ASN A CA  1 
ATOM   83   C  C   . ASN A 1 18 ? 19.537 -11.778 6.816  1.00 22.91 ? 310 ASN A C   1 
ATOM   84   O  O   . ASN A 1 18 ? 20.496 -11.732 6.035  1.00 23.66 ? 310 ASN A O   1 
ATOM   85   C  CB  . ASN A 1 18 ? 20.141 -14.025 7.744  1.00 25.63 ? 310 ASN A CB  1 
ATOM   86   C  CG  . ASN A 1 18 ? 20.314 -14.821 9.002  1.00 27.64 ? 310 ASN A CG  1 
ATOM   87   O  OD1 . ASN A 1 18 ? 21.145 -14.463 9.841  1.00 27.49 ? 310 ASN A OD1 1 
ATOM   88   N  ND2 . ASN A 1 18 ? 19.433 -15.780 9.231  1.00 30.62 ? 310 ASN A ND2 1 
ATOM   89   N  N   . ARG A 1 19 ? 18.368 -11.142 6.607  1.00 21.89 ? 311 ARG A N   1 
ATOM   90   C  CA  . ARG A 1 19 ? 18.110 -10.324 5.402  1.00 22.13 ? 311 ARG A CA  1 
ATOM   91   C  C   . ARG A 1 19 ? 17.841 -8.878  5.817  1.00 21.54 ? 311 ARG A C   1 
ATOM   92   O  O   . ARG A 1 19 ? 17.441 -8.599  6.974  1.00 22.37 ? 311 ARG A O   1 
ATOM   93   C  CB  . ARG A 1 19 ? 16.927 -10.938 4.653  1.00 23.56 ? 311 ARG A CB  1 
ATOM   94   C  CG  . ARG A 1 19 ? 17.223 -12.351 4.173  1.00 25.84 ? 311 ARG A CG  1 
ATOM   95   C  CD  . ARG A 1 19 ? 16.137 -12.934 3.274  1.00 28.68 ? 311 ARG A CD  1 
ATOM   96   N  NE  . ARG A 1 19 ? 16.159 -12.100 2.076  1.00 32.68 ? 311 ARG A NE  1 
ATOM   97   C  CZ  . ARG A 1 19 ? 15.178 -12.044 1.197  1.00 39.23 ? 311 ARG A CZ  1 
ATOM   98   N  NH1 . ARG A 1 19 ? 14.266 -12.998 1.202  1.00 39.12 ? 311 ARG A NH1 1 
ATOM   99   N  NH2 . ARG A 1 19 ? 15.147 -11.037 0.352  1.00 39.62 ? 311 ARG A NH2 1 
ATOM   100  N  N   . LEU A 1 20 ? 18.116 -7.974  4.894  1.00 21.26 ? 312 LEU A N   1 
ATOM   101  C  CA  . LEU A 1 20 ? 17.731 -6.565  5.032  1.00 19.51 ? 312 LEU A CA  1 
ATOM   102  C  C   . LEU A 1 20 ? 16.279 -6.400  4.593  1.00 19.89 ? 312 LEU A C   1 
ATOM   103  O  O   . LEU A 1 20 ? 15.789 -7.074  3.654  1.00 21.83 ? 312 LEU A O   1 
ATOM   104  C  CB  . LEU A 1 20 ? 18.655 -5.649  4.238  1.00 19.47 ? 312 LEU A CB  1 
ATOM   105  C  CG  . LEU A 1 20 ? 20.159 -5.751  4.522  1.00 20.97 ? 312 LEU A CG  1 
ATOM   106  C  CD1 . LEU A 1 20 ? 20.958 -4.791  3.662  1.00 20.42 ? 312 LEU A CD1 1 
ATOM   107  C  CD2 . LEU A 1 20 ? 20.487 -5.519  5.971  1.00 21.66 ? 312 LEU A CD2 1 
ATOM   108  N  N   . CYS A 1 21 ? 15.652 -5.404  5.188  1.00 19.49 ? 313 CYS A N   1 
ATOM   109  C  CA  . CYS A 1 21 ? 14.294 -5.050  4.760  1.00 19.74 ? 313 CYS A CA  1 
ATOM   110  C  C   . CYS A 1 21 ? 13.993 -3.605  5.178  1.00 18.52 ? 313 CYS A C   1 
ATOM   111  O  O   . CYS A 1 21 ? 14.021 -3.291  6.374  1.00 18.75 ? 313 CYS A O   1 
ATOM   112  C  CB  . CYS A 1 21 ? 13.240 -5.994  5.316  1.00 19.84 ? 313 CYS A CB  1 
ATOM   113  S  SG  . CYS A 1 21 ? 11.638 -5.688  4.498  1.00 20.44 ? 313 CYS A SG  1 
ATOM   114  N  N   . ARG A 1 22 ? 13.669 -2.764  4.202  1.00 18.88 ? 314 ARG A N   1 
ATOM   115  C  CA  A ARG A 1 22 ? 13.363 -1.338  4.503  0.50 18.68 ? 314 ARG A CA  1 
ATOM   116  C  CA  B ARG A 1 22 ? 13.361 -1.337  4.490  0.50 19.42 ? 314 ARG A CA  1 
ATOM   117  C  C   . ARG A 1 22 ? 11.862 -1.174  4.773  1.00 21.78 ? 314 ARG A C   1 
ATOM   118  O  O   . ARG A 1 22 ? 11.457 -0.011  5.026  1.00 21.26 ? 314 ARG A O   1 
ATOM   119  C  CB  A ARG A 1 22 ? 13.855 -0.404  3.386  0.50 18.45 ? 314 ARG A CB  1 
ATOM   120  C  CB  B ARG A 1 22 ? 13.833 -0.429  3.343  0.50 20.28 ? 314 ARG A CB  1 
ATOM   121  C  CG  A ARG A 1 22 ? 15.360 -0.525  3.202  0.50 18.06 ? 314 ARG A CG  1 
ATOM   122  C  CG  B ARG A 1 22 ? 15.344 -0.502  3.171  0.50 21.23 ? 314 ARG A CG  1 
ATOM   123  C  CD  A ARG A 1 22 ? 15.947 0.397   2.151  0.50 18.58 ? 314 ARG A CD  1 
ATOM   124  C  CD  B ARG A 1 22 ? 15.859 0.043   1.847  0.50 23.65 ? 314 ARG A CD  1 
ATOM   125  N  NE  A ARG A 1 22 ? 17.390 0.232   1.970  0.50 19.27 ? 314 ARG A NE  1 
ATOM   126  N  NE  B ARG A 1 22 ? 17.296 0.345   1.809  0.50 26.36 ? 314 ARG A NE  1 
ATOM   127  C  CZ  A ARG A 1 22 ? 18.131 1.149   1.375  0.50 18.94 ? 314 ARG A CZ  1 
ATOM   128  C  CZ  B ARG A 1 22 ? 18.354 -0.476  1.788  0.50 29.42 ? 314 ARG A CZ  1 
ATOM   129  N  NH1 A ARG A 1 22 ? 17.543 2.213   0.854  0.50 20.65 ? 314 ARG A NH1 1 
ATOM   130  N  NH1 B ARG A 1 22 ? 18.271 -1.811  1.848  0.50 29.64 ? 314 ARG A NH1 1 
ATOM   131  N  NH2 A ARG A 1 22 ? 19.432 1.056   1.314  0.50 21.43 ? 314 ARG A NH2 1 
ATOM   132  N  NH2 B ARG A 1 22 ? 19.546 0.078   1.813  0.50 29.93 ? 314 ARG A NH2 1 
ATOM   133  N  N   . VAL A 1 23 ? 11.093 -2.267  4.776  1.00 21.65 ? 315 VAL A N   1 
ATOM   134  C  CA  . VAL A 1 23 ? 9.705  -2.213  5.312  1.00 22.34 ? 315 VAL A CA  1 
ATOM   135  C  C   . VAL A 1 23 ? 9.714  -2.718  6.763  1.00 23.25 ? 315 VAL A C   1 
ATOM   136  O  O   . VAL A 1 23 ? 9.185  -2.045  7.670  1.00 23.13 ? 315 VAL A O   1 
ATOM   137  C  CB  . VAL A 1 23 ? 8.727  -2.964  4.405  1.00 24.76 ? 315 VAL A CB  1 
ATOM   138  C  CG1 . VAL A 1 23 ? 7.371  -3.093  5.062  1.00 25.90 ? 315 VAL A CG1 1 
ATOM   139  C  CG2 . VAL A 1 23 ? 8.619  -2.242  3.064  1.00 29.38 ? 315 VAL A CG2 1 
ATOM   140  N  N   . CYS A 1 24 ? 10.338 -3.856  7.042  1.00 19.69 ? 316 CYS A N   1 
ATOM   141  C  CA  . CYS A 1 24 ? 10.245 -4.446  8.393  1.00 21.11 ? 316 CYS A CA  1 
ATOM   142  C  C   . CYS A 1 24 ? 11.300 -3.843  9.343  1.00 19.33 ? 316 CYS A C   1 
ATOM   143  O  O   . CYS A 1 24 ? 11.056 -3.835  10.595 1.00 21.70 ? 316 CYS A O   1 
ATOM   144  C  CB  . CYS A 1 24 ? 10.412 -5.945  8.272  1.00 22.33 ? 316 CYS A CB  1 
ATOM   145  S  SG  . CYS A 1 24 ? 9.135  -6.739  7.258  1.00 22.51 ? 316 CYS A SG  1 
ATOM   146  N  N   . ALA A 1 25 ? 12.442 -3.416  8.800  1.00 18.76 ? 317 ALA A N   1 
ATOM   147  C  CA  . ALA A 1 25 ? 13.533 -2.870  9.600  1.00 17.70 ? 317 ALA A CA  1 
ATOM   148  C  C   . ALA A 1 25 ? 13.868 -1.473  9.111  1.00 18.13 ? 317 ALA A C   1 
ATOM   149  O  O   . ALA A 1 25 ? 12.986 -0.785  8.541  1.00 20.73 ? 317 ALA A O   1 
ATOM   150  C  CB  . ALA A 1 25 ? 14.699 -3.830  9.551  1.00 19.15 ? 317 ALA A CB  1 
ATOM   151  N  N   . CYS A 1 26 ? 15.087 -0.997  9.338  1.00 19.54 ? 318 CYS A N   1 
ATOM   152  C  CA  . CYS A 1 26 ? 15.334 0.430   9.109  1.00 19.62 ? 318 CYS A CA  1 
ATOM   153  C  C   . CYS A 1 26 ? 14.949 0.819   7.666  1.00 18.16 ? 318 CYS A C   1 
ATOM   154  O  O   . CYS A 1 26 ? 15.423 0.229   6.682  1.00 17.39 ? 318 CYS A O   1 
ATOM   155  C  CB  . CYS A 1 26 ? 16.768 0.864   9.375  1.00 22.02 ? 318 CYS A CB  1 
ATOM   156  S  SG  . CYS A 1 26 ? 17.164 2.598   8.964  1.00 19.34 ? 318 CYS A SG  1 
ATOM   157  N  N   . HIS A 1 27 ? 14.147 1.871   7.504  1.00 19.11 ? 319 HIS A N   1 
ATOM   158  C  CA  . HIS A 1 27 ? 13.616 2.240   6.172  1.00 19.27 ? 319 HIS A CA  1 
ATOM   159  C  C   . HIS A 1 27 ? 14.700 2.812   5.256  1.00 19.80 ? 319 HIS A C   1 
ATOM   160  O  O   . HIS A 1 27 ? 14.501 2.862   4.019  1.00 20.07 ? 319 HIS A O   1 
ATOM   161  C  CB  . HIS A 1 27 ? 12.478 3.227   6.408  1.00 19.44 ? 319 HIS A CB  1 
ATOM   162  C  CG  . HIS A 1 27 ? 11.745 3.602   5.201  1.00 19.81 ? 319 HIS A CG  1 
ATOM   163  N  ND1 . HIS A 1 27 ? 11.015 2.699   4.455  1.00 21.13 ? 319 HIS A ND1 1 
ATOM   164  C  CD2 . HIS A 1 27 ? 11.616 4.801   4.663  1.00 22.42 ? 319 HIS A CD2 1 
ATOM   165  C  CE1 . HIS A 1 27 ? 10.423 3.420   3.477  1.00 21.78 ? 319 HIS A CE1 1 
ATOM   166  N  NE2 . HIS A 1 27 ? 10.835 4.654   3.596  1.00 19.71 ? 319 HIS A NE2 1 
ATOM   167  N  N   . LEU A 1 28 ? 15.812 3.257   5.881  1.00 19.29 ? 320 LEU A N   1 
ATOM   168  C  CA  . LEU A 1 28 ? 16.929 3.910   5.166  1.00 20.73 ? 320 LEU A CA  1 
ATOM   169  C  C   . LEU A 1 28 ? 18.035 2.873   4.840  1.00 20.70 ? 320 LEU A C   1 
ATOM   170  O  O   . LEU A 1 28 ? 18.616 3.033   3.810  1.00 24.32 ? 320 LEU A O   1 
ATOM   171  C  CB  . LEU A 1 28 ? 17.425 5.117   5.940  1.00 21.74 ? 320 LEU A CB  1 
ATOM   172  C  CG  . LEU A 1 28 ? 16.321 6.150   6.197  1.00 23.14 ? 320 LEU A CG  1 
ATOM   173  C  CD1 . LEU A 1 28 ? 16.880 7.321   6.974  1.00 25.31 ? 320 LEU A CD1 1 
ATOM   174  C  CD2 . LEU A 1 28 ? 15.734 6.559   4.873  1.00 26.92 ? 320 LEU A CD2 1 
ATOM   175  N  N   . CYS A 1 29 ? 18.406 1.976   5.750  1.00 19.73 ? 321 CYS A N   1 
ATOM   176  C  CA  . CYS A 1 29 ? 19.521 1.026   5.483  1.00 19.35 ? 321 CYS A CA  1 
ATOM   177  C  C   . CYS A 1 29 ? 19.049 -0.412  5.444  1.00 20.41 ? 321 CYS A C   1 
ATOM   178  O  O   . CYS A 1 29 ? 19.871 -1.282  5.026  1.00 20.12 ? 321 CYS A O   1 
ATOM   179  C  CB  . CYS A 1 29 ? 20.670 1.210   6.472  1.00 21.15 ? 321 CYS A CB  1 
ATOM   180  S  SG  . CYS A 1 29 ? 20.305 0.599   8.138  1.00 19.73 ? 321 CYS A SG  1 
ATOM   181  N  N   . GLY A 1 30 ? 17.843 -0.706  5.864  1.00 18.17 ? 322 GLY A N   1 
ATOM   182  C  CA  . GLY A 1 30 ? 17.229 -2.052  5.871  1.00 19.06 ? 322 GLY A CA  1 
ATOM   183  C  C   . GLY A 1 30 ? 17.810 -2.954  6.964  1.00 18.39 ? 322 GLY A C   1 
ATOM   184  O  O   . GLY A 1 30 ? 17.357 -4.082  7.138  1.00 19.08 ? 322 GLY A O   1 
ATOM   185  N  N   . GLY A 1 31 ? 18.620 -2.400  7.837  1.00 18.34 ? 323 GLY A N   1 
ATOM   186  C  CA  . GLY A 1 31 ? 19.228 -3.229  8.897  1.00 19.18 ? 323 GLY A CA  1 
ATOM   187  C  C   . GLY A 1 31 ? 18.339 -3.407  10.121 1.00 19.54 ? 323 GLY A C   1 
ATOM   188  O  O   . GLY A 1 31 ? 17.648 -2.470  10.565 1.00 19.29 ? 323 GLY A O   1 
ATOM   189  N  N   . ARG A 1 32 ? 18.548 -4.559  10.761 1.00 19.59 ? 324 ARG A N   1 
ATOM   190  C  CA  . ARG A 1 32 ? 17.893 -4.937  11.997 1.00 21.18 ? 324 ARG A CA  1 
ATOM   191  C  C   . ARG A 1 32 ? 18.727 -4.591  13.232 1.00 20.55 ? 324 ARG A C   1 
ATOM   192  O  O   . ARG A 1 32 ? 18.304 -4.879  14.363 1.00 21.39 ? 324 ARG A O   1 
ATOM   193  C  CB  . ARG A 1 32 ? 17.550 -6.418  11.930 1.00 21.92 ? 324 ARG A CB  1 
ATOM   194  C  CG  . ARG A 1 32 ? 16.532 -6.770  10.872 1.00 23.32 ? 324 ARG A CG  1 
ATOM   195  C  CD  . ARG A 1 32 ? 16.433 -8.241  10.656 1.00 24.66 ? 324 ARG A CD  1 
ATOM   196  N  NE  . ARG A 1 32 ? 15.848 -8.664  9.380  1.00 27.08 ? 324 ARG A NE  1 
ATOM   197  C  CZ  . ARG A 1 32 ? 14.557 -8.645  9.070  1.00 27.59 ? 324 ARG A CZ  1 
ATOM   198  N  NH1 . ARG A 1 32 ? 13.671 -8.139  9.888  1.00 27.88 ? 324 ARG A NH1 1 
ATOM   199  N  NH2 . ARG A 1 32 ? 14.176 -9.136  7.916  1.00 27.48 ? 324 ARG A NH2 1 
ATOM   200  N  N   . GLN A 1 33 ? 19.952 -4.052  13.024 1.00 20.43 ? 325 GLN A N   1 
ATOM   201  C  CA  . GLN A 1 33 ? 20.842 -3.772  14.143 1.00 21.58 ? 325 GLN A CA  1 
ATOM   202  C  C   . GLN A 1 33 ? 20.292 -2.640  15.010 1.00 20.51 ? 325 GLN A C   1 
ATOM   203  O  O   . GLN A 1 33 ? 19.520 -1.775  14.538 1.00 20.24 ? 325 GLN A O   1 
ATOM   204  C  CB  . GLN A 1 33 ? 22.282 -3.495  13.739 1.00 23.66 ? 325 GLN A CB  1 
ATOM   205  C  CG  . GLN A 1 33 ? 22.587 -2.110  13.166 1.00 22.24 ? 325 GLN A CG  1 
ATOM   206  C  CD  . GLN A 1 33 ? 22.070 -1.844  11.757 1.00 20.93 ? 325 GLN A CD  1 
ATOM   207  O  OE1 . GLN A 1 33 ? 21.149 -2.454  11.227 1.00 21.53 ? 325 GLN A OE1 1 
ATOM   208  N  NE2 . GLN A 1 33 ? 22.705 -0.875  11.146 1.00 24.36 ? 325 GLN A NE2 1 
ATOM   209  N  N   . ASP A 1 34 ? 20.707 -2.648  16.284 1.00 23.38 ? 326 ASP A N   1 
ATOM   210  C  CA  . ASP A 1 34 ? 20.366 -1.566  17.216 1.00 25.45 ? 326 ASP A CA  1 
ATOM   211  C  C   . ASP A 1 34 ? 18.876 -1.249  17.161 1.00 24.64 ? 326 ASP A C   1 
ATOM   212  O  O   . ASP A 1 34 ? 18.494 -0.092  16.920 1.00 23.80 ? 326 ASP A O   1 
ATOM   213  C  CB  . ASP A 1 34 ? 21.168 -0.300  16.941 1.00 26.21 ? 326 ASP A CB  1 
ATOM   214  C  CG  . ASP A 1 34 ? 22.679 -0.404  17.092 1.00 28.43 ? 326 ASP A CG  1 
ATOM   215  O  OD1 . ASP A 1 34 ? 23.149 -1.209  17.934 1.00 30.57 ? 326 ASP A OD1 1 
ATOM   216  O  OD2 . ASP A 1 34 ? 23.393 0.328   16.374 1.00 30.85 ? 326 ASP A OD2 1 
ATOM   217  N  N   . PRO A 1 35 ? 17.954 -2.225  17.351 1.00 24.83 ? 327 PRO A N   1 
ATOM   218  C  CA  . PRO A 1 35 ? 16.527 -1.920  17.271 1.00 23.36 ? 327 PRO A CA  1 
ATOM   219  C  C   . PRO A 1 35 ? 16.073 -0.916  18.323 1.00 23.81 ? 327 PRO A C   1 
ATOM   220  O  O   . PRO A 1 35 ? 15.042 -0.258  18.092 1.00 24.36 ? 327 PRO A O   1 
ATOM   221  C  CB  . PRO A 1 35 ? 15.858 -3.283  17.449 1.00 24.23 ? 327 PRO A CB  1 
ATOM   222  C  CG  . PRO A 1 35 ? 16.863 -4.078  18.225 1.00 25.86 ? 327 PRO A CG  1 
ATOM   223  C  CD  . PRO A 1 35 ? 18.197 -3.640  17.664 1.00 26.09 ? 327 PRO A CD  1 
ATOM   224  N  N   . ASP A 1 36 ? 16.833 -0.747  19.409 1.00 25.54 ? 328 ASP A N   1 
ATOM   225  C  CA  . ASP A 1 36 ? 16.526 0.244   20.447 1.00 28.15 ? 328 ASP A CA  1 
ATOM   226  C  C   . ASP A 1 36 ? 16.866 1.671   20.015 1.00 27.12 ? 328 ASP A C   1 
ATOM   227  O  O   . ASP A 1 36 ? 16.583 2.626   20.744 1.00 28.10 ? 328 ASP A O   1 
ATOM   228  C  CB  . ASP A 1 36 ? 17.361 -0.061  21.684 1.00 33.67 ? 328 ASP A CB  1 
ATOM   229  C  CG  . ASP A 1 36 ? 18.873 -0.235  21.446 1.00 42.22 ? 328 ASP A CG  1 
ATOM   230  O  OD1 . ASP A 1 36 ? 19.292 -0.999  20.495 1.00 42.20 ? 328 ASP A OD1 1 
ATOM   231  O  OD2 . ASP A 1 36 ? 19.664 0.350   22.248 1.00 50.03 ? 328 ASP A OD2 1 
ATOM   232  N  N   . LYS A 1 37 ? 17.519 1.818   18.854 1.00 24.62 ? 329 LYS A N   1 
ATOM   233  C  CA  . LYS A 1 37 ? 17.830 3.115   18.291 1.00 25.57 ? 329 LYS A CA  1 
ATOM   234  C  C   . LYS A 1 37 ? 17.084 3.356   16.983 1.00 21.55 ? 329 LYS A C   1 
ATOM   235  O  O   . LYS A 1 37 ? 17.443 4.290   16.258 1.00 24.89 ? 329 LYS A O   1 
ATOM   236  C  CB  . LYS A 1 37 ? 19.340 3.184   18.086 1.00 28.40 ? 329 LYS A CB  1 
ATOM   237  C  CG  . LYS A 1 37 ? 20.109 3.099   19.380 1.00 33.44 ? 329 LYS A CG  1 
ATOM   238  C  CD  . LYS A 1 37 ? 21.619 3.099   19.208 1.00 39.77 ? 329 LYS A CD  1 
ATOM   239  C  CE  . LYS A 1 37 ? 22.312 3.470   20.479 1.00 46.40 ? 329 LYS A CE  1 
ATOM   240  N  NZ  . LYS A 1 37 ? 23.761 3.386   20.295 1.00 51.58 ? 329 LYS A NZ  1 
ATOM   241  N  N   . GLN A 1 38 ? 16.100 2.509   16.670 1.00 20.54 ? 330 GLN A N   1 
ATOM   242  C  CA  . GLN A 1 38 ? 15.270 2.727   15.503 1.00 20.11 ? 330 GLN A CA  1 
ATOM   243  C  C   . GLN A 1 38 ? 13.933 3.332   15.967 1.00 21.16 ? 330 GLN A C   1 
ATOM   244  O  O   . GLN A 1 38 ? 13.156 2.678   16.662 1.00 23.64 ? 330 GLN A O   1 
ATOM   245  C  CB  . GLN A 1 38 ? 15.035 1.460   14.690 1.00 20.98 ? 330 GLN A CB  1 
ATOM   246  C  CG  . GLN A 1 38 ? 16.318 0.758   14.253 1.00 20.94 ? 330 GLN A CG  1 
ATOM   247  C  CD  . GLN A 1 38 ? 16.070 -0.280  13.173 1.00 20.01 ? 330 GLN A CD  1 
ATOM   248  O  OE1 . GLN A 1 38 ? 15.211 -0.123  12.298 1.00 21.82 ? 330 GLN A OE1 1 
ATOM   249  N  NE2 . GLN A 1 38 ? 16.854 -1.352  13.250 1.00 20.55 ? 330 GLN A NE2 1 
ATOM   250  N  N   . LEU A 1 39 ? 13.682 4.574   15.574 1.00 22.28 ? 331 LEU A N   1 
ATOM   251  C  CA  . LEU A 1 39 ? 12.426 5.274   15.882 1.00 21.33 ? 331 LEU A CA  1 
ATOM   252  C  C   . LEU A 1 39 ? 11.316 4.732   14.990 1.00 22.35 ? 331 LEU A C   1 
ATOM   253  O  O   . LEU A 1 39 ? 11.513 4.628   13.784 1.00 21.17 ? 331 LEU A O   1 
ATOM   254  C  CB  . LEU A 1 39 ? 12.630 6.757   15.596 1.00 22.59 ? 331 LEU A CB  1 
ATOM   255  C  CG  . LEU A 1 39 ? 13.810 7.473   16.265 1.00 22.74 ? 331 LEU A CG  1 
ATOM   256  C  CD1 . LEU A 1 39 ? 13.716 9.008   16.080 1.00 26.03 ? 331 LEU A CD1 1 
ATOM   257  C  CD2 . LEU A 1 39 ? 13.845 7.080   17.745 1.00 24.98 ? 331 LEU A CD2 1 
ATOM   258  N  N   . MET A 1 40 ? 10.113 4.561   15.570 1.00 22.44 ? 332 MET A N   1 
ATOM   259  C  CA  . MET A 1 40 ? 8.948  4.221   14.777 1.00 21.84 ? 332 MET A CA  1 
ATOM   260  C  C   . MET A 1 40 ? 8.158  5.479   14.457 1.00 22.77 ? 332 MET A C   1 
ATOM   261  O  O   . MET A 1 40 ? 7.732  6.196   15.380 1.00 23.71 ? 332 MET A O   1 
ATOM   262  C  CB  . MET A 1 40 ? 8.039  3.236   15.512 1.00 25.01 ? 332 MET A CB  1 
ATOM   263  C  CG  . MET A 1 40 ? 8.722  1.986   15.990 1.00 25.74 ? 332 MET A CG  1 
ATOM   264  S  SD  . MET A 1 40 ? 9.647  1.071   14.750 1.00 26.28 ? 332 MET A SD  1 
ATOM   265  C  CE  . MET A 1 40 ? 8.300  0.573   13.666 1.00 30.00 ? 332 MET A CE  1 
ATOM   266  N  N   . CYS A 1 41 ? 7.921  5.692   13.175 1.00 22.12 ? 333 CYS A N   1 
ATOM   267  C  CA  . CYS A 1 41 ? 7.053  6.803   12.777 1.00 21.27 ? 333 CYS A CA  1 
ATOM   268  C  C   . CYS A 1 41 ? 5.628  6.520   13.200 1.00 22.75 ? 333 CYS A C   1 
ATOM   269  O  O   . CYS A 1 41 ? 5.043  5.509   12.838 1.00 24.03 ? 333 CYS A O   1 
ATOM   270  C  CB  . CYS A 1 41 ? 7.132  7.047   11.273 1.00 21.16 ? 333 CYS A CB  1 
ATOM   271  S  SG  . CYS A 1 41 ? 6.098  8.425   10.715 1.00 22.51 ? 333 CYS A SG  1 
ATOM   272  N  N   . ASP A 1 42 ? 4.964  7.518   13.844 1.00 23.55 ? 334 ASP A N   1 
ATOM   273  C  CA  . ASP A 1 42 ? 3.597  7.325   14.312 1.00 25.65 ? 334 ASP A CA  1 
ATOM   274  C  C   . ASP A 1 42 ? 2.552  7.523   13.205 1.00 26.97 ? 334 ASP A C   1 
ATOM   275  O  O   . ASP A 1 42 ? 1.364  7.376   13.462 1.00 31.22 ? 334 ASP A O   1 
ATOM   276  C  CB  . ASP A 1 42 ? 3.359  8.197   15.537 1.00 26.70 ? 334 ASP A CB  1 
ATOM   277  C  CG  . ASP A 1 42 ? 4.011  7.585   16.779 1.00 29.93 ? 334 ASP A CG  1 
ATOM   278  O  OD1 . ASP A 1 42 ? 3.701  6.397   17.082 1.00 34.55 ? 334 ASP A OD1 1 
ATOM   279  O  OD2 . ASP A 1 42 ? 4.895  8.220   17.397 1.00 30.64 ? 334 ASP A OD2 1 
ATOM   280  N  N   . GLU A 1 43 ? 2.971  7.900   11.984 1.00 25.48 ? 335 GLU A N   1 
ATOM   281  C  CA  . GLU A 1 43 ? 2.091  7.892   10.830 1.00 27.09 ? 335 GLU A CA  1 
ATOM   282  C  C   . GLU A 1 43 ? 2.297  6.628   9.976  1.00 26.43 ? 335 GLU A C   1 
ATOM   283  O  O   . GLU A 1 43 ? 1.342  5.869   9.815  1.00 30.10 ? 335 GLU A O   1 
ATOM   284  C  CB  . GLU A 1 43 ? 2.254  9.164   10.001 1.00 27.59 ? 335 GLU A CB  1 
ATOM   285  C  CG  . GLU A 1 43 ? 1.359  9.090   8.772  1.00 31.49 ? 335 GLU A CG  1 
ATOM   286  C  CD  . GLU A 1 43 ? 1.246  10.336  7.920  1.00 34.47 ? 335 GLU A CD  1 
ATOM   287  O  OE1 . GLU A 1 43 ? 1.788  11.372  8.369  1.00 30.56 ? 335 GLU A OE1 1 
ATOM   288  O  OE2 . GLU A 1 43 ? 0.670  10.240  6.796  1.00 36.62 ? 335 GLU A OE2 1 
ATOM   289  N  N   . CYS A 1 44 ? 3.505  6.393   9.441  1.00 25.88 ? 336 CYS A N   1 
ATOM   290  C  CA  . CYS A 1 44 ? 3.681  5.367   8.424  1.00 25.21 ? 336 CYS A CA  1 
ATOM   291  C  C   . CYS A 1 44 ? 4.207  4.057   9.010  1.00 24.23 ? 336 CYS A C   1 
ATOM   292  O  O   . CYS A 1 44 ? 4.170  3.052   8.319  1.00 24.96 ? 336 CYS A O   1 
ATOM   293  C  CB  . CYS A 1 44 ? 4.635  5.800   7.325  1.00 25.58 ? 336 CYS A CB  1 
ATOM   294  S  SG  . CYS A 1 44 ? 6.359  6.013   7.833  1.00 23.80 ? 336 CYS A SG  1 
ATOM   295  N  N   . ASP A 1 45 ? 4.597  4.079   10.280 1.00 24.70 ? 337 ASP A N   1 
ATOM   296  C  CA  . ASP A 1 45 ? 5.046  2.903   11.014 1.00 24.49 ? 337 ASP A CA  1 
ATOM   297  C  C   . ASP A 1 45 ? 6.293  2.285   10.403 1.00 24.10 ? 337 ASP A C   1 
ATOM   298  O  O   . ASP A 1 45 ? 6.595  1.126   10.719 1.00 24.83 ? 337 ASP A O   1 
ATOM   299  C  CB  . ASP A 1 45 ? 3.948  1.869   11.159 1.00 27.16 ? 337 ASP A CB  1 
ATOM   300  C  CG  . ASP A 1 45 ? 4.101  0.913   12.321 1.00 29.68 ? 337 ASP A CG  1 
ATOM   301  O  OD1 . ASP A 1 45 ? 4.539  1.368   13.401 1.00 29.63 ? 337 ASP A OD1 1 
ATOM   302  O  OD2 . ASP A 1 45 ? 3.764  -0.269  12.120 1.00 35.37 ? 337 ASP A OD2 1 
ATOM   303  N  N   . MET A 1 46 ? 7.057  3.098   9.668  1.00 22.79 ? 338 MET A N   1 
ATOM   304  C  CA  . MET A 1 46 ? 8.409  2.720   9.281  1.00 20.65 ? 338 MET A CA  1 
ATOM   305  C  C   . MET A 1 46 ? 9.368  3.043   10.425 1.00 22.29 ? 338 MET A C   1 
ATOM   306  O  O   . MET A 1 46 ? 9.141  3.906   11.274 1.00 20.99 ? 338 MET A O   1 
ATOM   307  C  CB  . MET A 1 46 ? 8.867  3.411   8.006  1.00 20.34 ? 338 MET A CB  1 
ATOM   308  C  CG  . MET A 1 46 ? 8.031  3.048   6.800  1.00 23.26 ? 338 MET A CG  1 
ATOM   309  S  SD  . MET A 1 46 ? 8.133  1.301   6.289  1.00 25.09 ? 338 MET A SD  1 
ATOM   310  C  CE  . MET A 1 46 ? 6.754  0.505   7.101  1.00 29.24 ? 338 MET A CE  1 
ATOM   311  N  N   . ALA A 1 47 ? 10.458 2.263   10.434 1.00 20.37 ? 339 ALA A N   1 
ATOM   312  C  CA  . ALA A 1 47 ? 11.511 2.344   11.436 1.00 22.69 ? 339 ALA A CA  1 
ATOM   313  C  C   . ALA A 1 47 ? 12.706 3.105   10.876 1.00 19.17 ? 339 ALA A C   1 
ATOM   314  O  O   . ALA A 1 47 ? 13.024 2.965   9.699  1.00 19.81 ? 339 ALA A O   1 
ATOM   315  C  CB  . ALA A 1 47 ? 11.922 0.940   11.826 1.00 22.75 ? 339 ALA A CB  1 
ATOM   316  N  N   . PHE A 1 48 ? 13.401 3.875   11.725 1.00 18.31 ? 340 PHE A N   1 
ATOM   317  C  CA  . PHE A 1 48 ? 14.515 4.699   11.271 1.00 18.38 ? 340 PHE A CA  1 
ATOM   318  C  C   . PHE A 1 48 ? 15.625 4.736   12.310 1.00 21.00 ? 340 PHE A C   1 
ATOM   319  O  O   . PHE A 1 48 ? 15.428 5.308   13.373 1.00 21.20 ? 340 PHE A O   1 
ATOM   320  C  CB  . PHE A 1 48 ? 14.057 6.153   11.095 1.00 20.64 ? 340 PHE A CB  1 
ATOM   321  C  CG  . PHE A 1 48 ? 13.084 6.309   9.951  1.00 19.63 ? 340 PHE A CG  1 
ATOM   322  C  CD1 . PHE A 1 48 ? 11.719 6.123   10.206 1.00 20.41 ? 340 PHE A CD1 1 
ATOM   323  C  CD2 . PHE A 1 48 ? 13.487 6.776   8.700  1.00 20.06 ? 340 PHE A CD2 1 
ATOM   324  C  CE1 . PHE A 1 48 ? 10.823 6.220   9.186  1.00 20.24 ? 340 PHE A CE1 1 
ATOM   325  C  CE2 . PHE A 1 48 ? 12.548 6.941   7.697  1.00 22.31 ? 340 PHE A CE2 1 
ATOM   326  C  CZ  . PHE A 1 48 ? 11.232 6.602   7.942  1.00 18.94 ? 340 PHE A CZ  1 
ATOM   327  N  N   . HIS A 1 49 ? 16.839 4.231   11.990 1.00 19.80 ? 341 HIS A N   1 
ATOM   328  C  CA  . HIS A 1 49 ? 17.949 4.441   12.903 1.00 21.42 ? 341 HIS A CA  1 
ATOM   329  C  C   . HIS A 1 49 ? 18.172 5.930   13.123 1.00 21.92 ? 341 HIS A C   1 
ATOM   330  O  O   . HIS A 1 49 ? 18.206 6.703   12.171 1.00 22.42 ? 341 HIS A O   1 
ATOM   331  C  CB  . HIS A 1 49 ? 19.272 3.908   12.359 1.00 21.52 ? 341 HIS A CB  1 
ATOM   332  C  CG  . HIS A 1 49 ? 19.367 2.424   12.338 1.00 23.39 ? 341 HIS A CG  1 
ATOM   333  N  ND1 . HIS A 1 49 ? 19.445 1.668   11.177 1.00 23.26 ? 341 HIS A ND1 1 
ATOM   334  C  CD2 . HIS A 1 49 ? 19.493 1.556   13.382 1.00 21.95 ? 341 HIS A CD2 1 
ATOM   335  C  CE1 . HIS A 1 49 ? 19.616 0.387   11.525 1.00 22.05 ? 341 HIS A CE1 1 
ATOM   336  N  NE2 . HIS A 1 49 ? 19.620 0.285   12.844 1.00 23.13 ? 341 HIS A NE2 1 
ATOM   337  N  N   . ILE A 1 50 ? 18.425 6.313   14.371 1.00 23.52 ? 342 ILE A N   1 
ATOM   338  C  CA  . ILE A 1 50 ? 18.722 7.697   14.688 1.00 24.48 ? 342 ILE A CA  1 
ATOM   339  C  C   . ILE A 1 50 ? 19.933 8.182   13.899 1.00 26.66 ? 342 ILE A C   1 
ATOM   340  O  O   . ILE A 1 50 ? 20.003 9.351   13.531 1.00 28.05 ? 342 ILE A O   1 
ATOM   341  C  CB  . ILE A 1 50 ? 18.883 7.929   16.198 1.00 25.78 ? 342 ILE A CB  1 
ATOM   342  C  CG1 . ILE A 1 50 ? 20.019 7.102   16.801 1.00 27.60 ? 342 ILE A CG1 1 
ATOM   343  C  CG2 . ILE A 1 50 ? 17.532 7.757   16.900 1.00 26.17 ? 342 ILE A CG2 1 
ATOM   344  C  CD1 . ILE A 1 50 ? 20.220 7.396   18.275 1.00 30.55 ? 342 ILE A CD1 1 
ATOM   345  N  N   . TYR A 1 51 ? 20.886 7.281   13.604 1.00 25.83 ? 343 TYR A N   1 
ATOM   346  C  CA  . TYR A 1 51 ? 22.104 7.645   12.900 1.00 26.97 ? 343 TYR A CA  1 
ATOM   347  C  C   . TYR A 1 51 ? 21.989 7.479   11.372 1.00 25.51 ? 343 TYR A C   1 
ATOM   348  O  O   . TYR A 1 51 ? 22.957 7.858   10.671 1.00 30.13 ? 343 TYR A O   1 
ATOM   349  C  CB  . TYR A 1 51 ? 23.273 6.808   13.444 1.00 27.91 ? 343 TYR A CB  1 
ATOM   350  C  CG  . TYR A 1 51 ? 23.039 5.312   13.587 1.00 28.36 ? 343 TYR A CG  1 
ATOM   351  C  CD1 . TYR A 1 51 ? 22.994 4.482   12.479 1.00 27.33 ? 343 TYR A CD1 1 
ATOM   352  C  CD2 . TYR A 1 51 ? 22.989 4.718   14.836 1.00 29.39 ? 343 TYR A CD2 1 
ATOM   353  C  CE1 . TYR A 1 51 ? 22.775 3.115   12.612 1.00 27.88 ? 343 TYR A CE1 1 
ATOM   354  C  CE2 . TYR A 1 51 ? 22.842 3.354   14.989 1.00 28.82 ? 343 TYR A CE2 1 
ATOM   355  C  CZ  . TYR A 1 51 ? 22.762 2.546   13.871 1.00 29.88 ? 343 TYR A CZ  1 
ATOM   356  O  OH  . TYR A 1 51 ? 22.661 1.204   14.033 1.00 28.61 ? 343 TYR A OH  1 
ATOM   357  N  N   . CYS A 1 52 ? 20.831 7.007   10.857 1.00 23.90 ? 344 CYS A N   1 
ATOM   358  C  CA  . CYS A 1 52 ? 20.538 6.937   9.424  1.00 22.34 ? 344 CYS A CA  1 
ATOM   359  C  C   . CYS A 1 52 ? 19.849 8.236   8.976  1.00 25.01 ? 344 CYS A C   1 
ATOM   360  O  O   . CYS A 1 52 ? 19.939 8.604   7.807  1.00 25.67 ? 344 CYS A O   1 
ATOM   361  C  CB  . CYS A 1 52 ? 19.751 5.679   9.043  1.00 21.28 ? 344 CYS A CB  1 
ATOM   362  S  SG  . CYS A 1 52 ? 20.788 4.197   8.981  1.00 24.34 ? 344 CYS A SG  1 
ATOM   363  N  N   . LEU A 1 53 ? 19.142 8.898   9.885  1.00 25.44 ? 345 LEU A N   1 
ATOM   364  C  CA  . LEU A 1 53 ? 18.505 10.155  9.564  1.00 26.58 ? 345 LEU A CA  1 
ATOM   365  C  C   . LEU A 1 53 ? 19.568 11.196  9.231  1.00 29.13 ? 345 LEU A C   1 
ATOM   366  O  O   . LEU A 1 53 ? 20.695 11.115  9.694  1.00 30.52 ? 345 LEU A O   1 
ATOM   367  C  CB  . LEU A 1 53 ? 17.641 10.566  10.759 1.00 26.37 ? 345 LEU A CB  1 
ATOM   368  C  CG  . LEU A 1 53 ? 16.442 9.653   11.020 1.00 25.75 ? 345 LEU A CG  1 
ATOM   369  C  CD1 . LEU A 1 53 ? 15.962 9.866   12.465 1.00 28.12 ? 345 LEU A CD1 1 
ATOM   370  C  CD2 . LEU A 1 53 ? 15.314 9.915   10.022 1.00 27.73 ? 345 LEU A CD2 1 
ATOM   371  N  N   . ASP A 1 54 ? 19.187 12.172  8.402  1.00 30.81 ? 346 ASP A N   1 
ATOM   372  C  CA  . ASP A 1 54 ? 20.073 13.229  7.963  1.00 35.57 ? 346 ASP A CA  1 
ATOM   373  C  C   . ASP A 1 54 ? 19.355 14.559  8.146  1.00 35.53 ? 346 ASP A C   1 
ATOM   374  O  O   . ASP A 1 54 ? 18.432 14.834  7.400  1.00 37.02 ? 346 ASP A O   1 
ATOM   375  C  CB  . ASP A 1 54 ? 20.483 13.058  6.512  1.00 41.34 ? 346 ASP A CB  1 
ATOM   376  C  CG  . ASP A 1 54 ? 21.442 14.127  6.027  1.00 49.38 ? 346 ASP A CG  1 
ATOM   377  O  OD1 . ASP A 1 54 ? 22.231 14.615  6.873  1.00 52.23 ? 346 ASP A OD1 1 
ATOM   378  O  OD2 . ASP A 1 54 ? 21.355 14.483  4.838  1.00 60.09 ? 346 ASP A OD2 1 
ATOM   379  N  N   . PRO A 1 55 ? 19.756 15.394  9.126  1.00 34.59 ? 347 PRO A N   1 
ATOM   380  C  CA  . PRO A 1 55 ? 20.885 15.087  9.999  1.00 35.99 ? 347 PRO A CA  1 
ATOM   381  C  C   . PRO A 1 55 ? 20.546 14.014  11.027 1.00 33.21 ? 347 PRO A C   1 
ATOM   382  O  O   . PRO A 1 55 ? 19.380 13.773  11.339 1.00 32.96 ? 347 PRO A O   1 
ATOM   383  C  CB  . PRO A 1 55 ? 21.209 16.404  10.681 1.00 39.84 ? 347 PRO A CB  1 
ATOM   384  C  CG  . PRO A 1 55 ? 19.895 17.118  10.699 1.00 39.20 ? 347 PRO A CG  1 
ATOM   385  C  CD  . PRO A 1 55 ? 19.187 16.723  9.414  1.00 37.95 ? 347 PRO A CD  1 
ATOM   386  N  N   . PRO A 1 56 ? 21.573 13.350  11.594 1.00 33.36 ? 348 PRO A N   1 
ATOM   387  C  CA  . PRO A 1 56 ? 21.352 12.288  12.566 1.00 32.17 ? 348 PRO A CA  1 
ATOM   388  C  C   . PRO A 1 56 ? 20.997 12.810  13.953 1.00 33.27 ? 348 PRO A C   1 
ATOM   389  O  O   . PRO A 1 56 ? 21.358 13.931  14.307 1.00 35.35 ? 348 PRO A O   1 
ATOM   390  C  CB  . PRO A 1 56 ? 22.710 11.590  12.559 1.00 33.77 ? 348 PRO A CB  1 
ATOM   391  C  CG  . PRO A 1 56 ? 23.688 12.731  12.406 1.00 36.86 ? 348 PRO A CG  1 
ATOM   392  C  CD  . PRO A 1 56 ? 23.005 13.655  11.407 1.00 37.42 ? 348 PRO A CD  1 
ATOM   393  N  N   . LEU A 1 57 ? 20.309 11.965  14.724 1.00 32.00 ? 349 LEU A N   1 
ATOM   394  C  CA  . LEU A 1 57 ? 19.941 12.255  16.101 1.00 33.60 ? 349 LEU A CA  1 
ATOM   395  C  C   . LEU A 1 57 ? 20.924 11.543  17.020 1.00 34.61 ? 349 LEU A C   1 
ATOM   396  O  O   . LEU A 1 57 ? 21.288 10.403  16.753 1.00 34.83 ? 349 LEU A O   1 
ATOM   397  C  CB  . LEU A 1 57 ? 18.520 11.762  16.372 1.00 32.82 ? 349 LEU A CB  1 
ATOM   398  C  CG  . LEU A 1 57 ? 17.384 12.605  15.779 1.00 34.32 ? 349 LEU A CG  1 
ATOM   399  C  CD1 . LEU A 1 57 ? 17.406 12.731  14.269 1.00 36.23 ? 349 LEU A CD1 1 
ATOM   400  C  CD2 . LEU A 1 57 ? 16.059 12.030  16.238 1.00 34.73 ? 349 LEU A CD2 1 
ATOM   401  N  N   . SER A 1 58 ? 21.319 12.204  18.116 1.00 38.57 ? 350 SER A N   1 
ATOM   402  C  CA  . SER A 1 58 ? 22.270 11.597  19.034 1.00 41.41 ? 350 SER A CA  1 
ATOM   403  C  C   . SER A 1 58 ? 21.569 10.693  20.050 1.00 40.32 ? 350 SER A C   1 
ATOM   404  O  O   . SER A 1 58 ? 22.213 9.864   20.681 1.00 43.27 ? 350 SER A O   1 
ATOM   405  C  CB  . SER A 1 58 ? 23.146 12.623  19.698 1.00 45.70 ? 350 SER A CB  1 
ATOM   406  O  OG  . SER A 1 58 ? 22.377 13.657  20.280 1.00 50.72 ? 350 SER A OG  1 
ATOM   407  N  N   . SER A 1 59 ? 20.250 10.804  20.188 1.00 37.11 ? 351 SER A N   1 
ATOM   408  C  CA  . SER A 1 59 ? 19.525 9.926   21.085 1.00 36.82 ? 351 SER A CA  1 
ATOM   409  C  C   . SER A 1 59 ? 18.063 9.820   20.651 1.00 33.34 ? 351 SER A C   1 
ATOM   410  O  O   . SER A 1 59 ? 17.618 10.529  19.754 1.00 33.33 ? 351 SER A O   1 
ATOM   411  C  CB  . SER A 1 59 ? 19.639 10.409  22.505 1.00 41.79 ? 351 SER A CB  1 
ATOM   412  O  OG  . SER A 1 59 ? 18.983 11.648  22.654 1.00 42.66 ? 351 SER A OG  1 
ATOM   413  N  N   . VAL A 1 60 ? 17.342 8.879   21.261 1.00 32.57 ? 352 VAL A N   1 
ATOM   414  C  CA  . VAL A 1 60 ? 15.923 8.726   21.004 1.00 30.30 ? 352 VAL A CA  1 
ATOM   415  C  C   . VAL A 1 60 ? 15.201 9.929   21.625 1.00 31.42 ? 352 VAL A C   1 
ATOM   416  O  O   . VAL A 1 60 ? 15.365 10.199  22.817 1.00 34.80 ? 352 VAL A O   1 
ATOM   417  C  CB  . VAL A 1 60 ? 15.428 7.397   21.608 1.00 29.54 ? 352 VAL A CB  1 
ATOM   418  C  CG1 . VAL A 1 60 ? 13.913 7.297   21.531 1.00 29.94 ? 352 VAL A CG1 1 
ATOM   419  C  CG2 . VAL A 1 60 ? 16.058 6.181   20.937 1.00 29.50 ? 352 VAL A CG2 1 
ATOM   420  N  N   . PRO A 1 61 ? 14.394 10.714  20.873 1.00 30.61 ? 353 PRO A N   1 
ATOM   421  C  CA  . PRO A 1 61 ? 13.685 11.846  21.472 1.00 32.06 ? 353 PRO A CA  1 
ATOM   422  C  C   . PRO A 1 61 ? 12.819 11.489  22.669 1.00 31.82 ? 353 PRO A C   1 
ATOM   423  O  O   . PRO A 1 61 ? 12.129 10.474  22.674 1.00 32.46 ? 353 PRO A O   1 
ATOM   424  C  CB  . PRO A 1 61 ? 12.810 12.357  20.292 1.00 30.57 ? 353 PRO A CB  1 
ATOM   425  C  CG  . PRO A 1 61 ? 13.538 11.902  19.064 1.00 30.76 ? 353 PRO A CG  1 
ATOM   426  C  CD  . PRO A 1 61 ? 14.114 10.561  19.444 1.00 30.80 ? 353 PRO A CD  1 
ATOM   427  N  N   . SER A 1 62 ? 12.789 12.401  23.632 1.00 33.72 ? 354 SER A N   1 
ATOM   428  C  CA  . SER A 1 62 ? 11.872 12.336  24.757 1.00 35.70 ? 354 SER A CA  1 
ATOM   429  C  C   . SER A 1 62 ? 10.571 13.036  24.397 1.00 32.65 ? 354 SER A C   1 
ATOM   430  O  O   . SER A 1 62 ? 10.314 14.107  24.914 1.00 35.89 ? 354 SER A O   1 
ATOM   431  C  CB  . SER A 1 62 ? 12.456 12.989  25.961 1.00 41.68 ? 354 SER A CB  1 
ATOM   432  O  OG  . SER A 1 62 ? 13.527 12.183  26.417 1.00 45.91 ? 354 SER A OG  1 
ATOM   433  N  N   . GLU A 1 63 ? 9.758  12.381  23.571 1.00 31.24 ? 355 GLU A N   1 
ATOM   434  C  CA  . GLU A 1 63 ? 8.549  12.973  23.022 1.00 30.55 ? 355 GLU A CA  1 
ATOM   435  C  C   . GLU A 1 63 ? 7.452  11.919  23.031 1.00 31.83 ? 355 GLU A C   1 
ATOM   436  O  O   . GLU A 1 63 ? 7.749  10.738  23.024 1.00 32.65 ? 355 GLU A O   1 
ATOM   437  C  CB  . GLU A 1 63 ? 8.808  13.412  21.582 1.00 28.70 ? 355 GLU A CB  1 
ATOM   438  C  CG  . GLU A 1 63 ? 9.866  14.498  21.483 1.00 29.69 ? 355 GLU A CG  1 
ATOM   439  C  CD  . GLU A 1 63 ? 9.432  15.859  21.965 1.00 30.15 ? 355 GLU A CD  1 
ATOM   440  O  OE1 . GLU A 1 63 ? 10.256 16.570  22.588 1.00 34.36 ? 355 GLU A OE1 1 
ATOM   441  O  OE2 . GLU A 1 63 ? 8.242  16.293  21.780 1.00 30.06 ? 355 GLU A OE2 1 
ATOM   442  N  N   . ASP A 1 64 ? 6.198  12.350  22.997 1.00 32.97 ? 356 ASP A N   1 
ATOM   443  C  CA  . ASP A 1 64 ? 5.076  11.428  23.038 1.00 34.67 ? 356 ASP A CA  1 
ATOM   444  C  C   . ASP A 1 64 ? 4.968  10.656  21.735 1.00 33.40 ? 356 ASP A C   1 
ATOM   445  O  O   . ASP A 1 64 ? 4.575  9.499   21.744 1.00 33.19 ? 356 ASP A O   1 
ATOM   446  C  CB  . ASP A 1 64 ? 3.776  12.153  23.316 1.00 36.93 ? 356 ASP A CB  1 
ATOM   447  C  CG  . ASP A 1 64 ? 3.679  12.778  24.697 1.00 41.80 ? 356 ASP A CG  1 
ATOM   448  O  OD1 . ASP A 1 64 ? 4.523  12.468  25.542 1.00 41.68 ? 356 ASP A OD1 1 
ATOM   449  O  OD2 . ASP A 1 64 ? 2.798  13.600  24.860 1.00 43.83 ? 356 ASP A OD2 1 
ATOM   450  N  N   . GLU A 1 65 ? 5.284  11.328  20.619 1.00 27.99 ? 357 GLU A N   1 
ATOM   451  C  CA  . GLU A 1 65 ? 5.139  10.759  19.292 1.00 27.12 ? 357 GLU A CA  1 
ATOM   452  C  C   . GLU A 1 65 ? 6.281  11.332  18.457 1.00 25.55 ? 357 GLU A C   1 
ATOM   453  O  O   . GLU A 1 65 ? 6.872  12.342  18.832 1.00 25.87 ? 357 GLU A O   1 
ATOM   454  C  CB  . GLU A 1 65 ? 3.824  11.066  18.572 1.00 29.08 ? 357 GLU A CB  1 
ATOM   455  C  CG  . GLU A 1 65 ? 2.604  10.338  19.128 1.00 34.70 ? 357 GLU A CG  1 
ATOM   456  C  CD  . GLU A 1 65 ? 1.904  10.985  20.282 1.00 42.88 ? 357 GLU A CD  1 
ATOM   457  O  OE1 . GLU A 1 65 ? 1.227  10.246  21.065 1.00 44.75 ? 357 GLU A OE1 1 
ATOM   458  O  OE2 . GLU A 1 65 ? 1.948  12.236  20.365 1.00 43.63 ? 357 GLU A OE2 1 
ATOM   459  N  N   . TRP A 1 66 ? 6.590  10.666  17.356 1.00 23.51 ? 358 TRP A N   1 
ATOM   460  C  CA  . TRP A 1 66 ? 7.594  11.129  16.421 1.00 22.44 ? 358 TRP A CA  1 
ATOM   461  C  C   . TRP A 1 66 ? 7.120  10.822  15.004 1.00 22.32 ? 358 TRP A C   1 
ATOM   462  O  O   . TRP A 1 66 ? 6.507  9.798   14.771 1.00 23.11 ? 358 TRP A O   1 
ATOM   463  C  CB  . TRP A 1 66 ? 8.946  10.459  16.689 1.00 21.75 ? 358 TRP A CB  1 
ATOM   464  C  CG  . TRP A 1 66 ? 10.001 10.855  15.710 1.00 21.82 ? 358 TRP A CG  1 
ATOM   465  C  CD1 . TRP A 1 66 ? 10.804 11.951  15.791 1.00 22.47 ? 358 TRP A CD1 1 
ATOM   466  C  CD2 . TRP A 1 66 ? 10.422 10.117  14.542 1.00 22.61 ? 358 TRP A CD2 1 
ATOM   467  N  NE1 . TRP A 1 66 ? 11.672 11.967  14.731 1.00 23.62 ? 358 TRP A NE1 1 
ATOM   468  C  CE2 . TRP A 1 66 ? 11.469 10.861  13.962 1.00 22.15 ? 358 TRP A CE2 1 
ATOM   469  C  CE3 . TRP A 1 66 ? 10.015 8.914   13.939 1.00 21.91 ? 358 TRP A CE3 1 
ATOM   470  C  CZ2 . TRP A 1 66 ? 12.127 10.425  12.819 1.00 23.01 ? 358 TRP A CZ2 1 
ATOM   471  C  CZ3 . TRP A 1 66 ? 10.678 8.478   12.814 1.00 21.49 ? 358 TRP A CZ3 1 
ATOM   472  C  CH2 . TRP A 1 66 ? 11.701 9.251   12.256 1.00 21.04 ? 358 TRP A CH2 1 
ATOM   473  N  N   . TYR A 1 67 ? 7.413  11.725  14.064 1.00 22.78 ? 359 TYR A N   1 
ATOM   474  C  CA  . TYR A 1 67 ? 7.019  11.598  12.675 1.00 22.10 ? 359 TYR A CA  1 
ATOM   475  C  C   . TYR A 1 67 ? 8.255  11.763  11.799 1.00 22.54 ? 359 TYR A C   1 
ATOM   476  O  O   . TYR A 1 67 ? 9.010  12.714  12.012 1.00 23.97 ? 359 TYR A O   1 
ATOM   477  C  CB  . TYR A 1 67 ? 5.947  12.637  12.335 1.00 23.44 ? 359 TYR A CB  1 
ATOM   478  C  CG  . TYR A 1 67 ? 4.739  12.438  13.211 1.00 23.58 ? 359 TYR A CG  1 
ATOM   479  C  CD1 . TYR A 1 67 ? 3.837  11.422  12.943 1.00 24.77 ? 359 TYR A CD1 1 
ATOM   480  C  CD2 . TYR A 1 67 ? 4.559  13.201  14.354 1.00 24.24 ? 359 TYR A CD2 1 
ATOM   481  C  CE1 . TYR A 1 67 ? 2.728  11.225  13.750 1.00 26.60 ? 359 TYR A CE1 1 
ATOM   482  C  CE2 . TYR A 1 67 ? 3.467  12.991  15.176 1.00 25.91 ? 359 TYR A CE2 1 
ATOM   483  C  CZ  . TYR A 1 67 ? 2.535  12.017  14.870 1.00 26.37 ? 359 TYR A CZ  1 
ATOM   484  O  OH  . TYR A 1 67 ? 1.439  11.837  15.684 1.00 28.01 ? 359 TYR A OH  1 
ATOM   485  N  N   . CYS A 1 68 ? 8.361  10.861  10.809 1.00 22.04 ? 360 CYS A N   1 
ATOM   486  C  CA  . CYS A 1 68 ? 9.543  10.760  9.980  1.00 22.75 ? 360 CYS A CA  1 
ATOM   487  C  C   . CYS A 1 68 ? 9.603  11.864  8.935  1.00 21.78 ? 360 CYS A C   1 
ATOM   488  O  O   . CYS A 1 68 ? 8.617  12.596  8.671  1.00 21.57 ? 360 CYS A O   1 
ATOM   489  C  CB  . CYS A 1 68 ? 9.604  9.370   9.346  1.00 21.98 ? 360 CYS A CB  1 
ATOM   490  S  SG  . CYS A 1 68 ? 8.620  9.216   7.844  1.00 23.19 ? 360 CYS A SG  1 
ATOM   491  N  N   . PRO A 1 69 ? 10.790 12.146  8.341  1.00 21.88 ? 361 PRO A N   1 
ATOM   492  C  CA  . PRO A 1 69 ? 10.912 13.195  7.351  1.00 24.75 ? 361 PRO A CA  1 
ATOM   493  C  C   . PRO A 1 69 ? 9.975  13.086  6.158  1.00 24.34 ? 361 PRO A C   1 
ATOM   494  O  O   . PRO A 1 69 ? 9.599  14.104  5.571  1.00 26.57 ? 361 PRO A O   1 
ATOM   495  C  CB  . PRO A 1 69 ? 12.384 13.088  6.893  1.00 26.15 ? 361 PRO A CB  1 
ATOM   496  C  CG  . PRO A 1 69 ? 13.070 12.395  8.022  1.00 24.71 ? 361 PRO A CG  1 
ATOM   497  C  CD  . PRO A 1 69 ? 12.065 11.415  8.592  1.00 22.60 ? 361 PRO A CD  1 
ATOM   498  N  N   . GLU A 1 70 ? 9.641  11.842  5.779  1.00 23.04 ? 362 GLU A N   1 
ATOM   499  C  CA  . GLU A 1 70 ? 8.735  11.644  4.665  1.00 23.83 ? 362 GLU A CA  1 
ATOM   500  C  C   . GLU A 1 70 ? 7.317  12.087  5.041  1.00 23.14 ? 362 GLU A C   1 
ATOM   501  O  O   . GLU A 1 70 ? 6.648  12.717  4.236  1.00 24.80 ? 362 GLU A O   1 
ATOM   502  C  CB  . GLU A 1 70 ? 8.798  10.196  4.203  1.00 25.11 ? 362 GLU A CB  1 
ATOM   503  C  CG  . GLU A 1 70 ? 10.227 9.835   3.791  1.00 25.70 ? 362 GLU A CG  1 
ATOM   504  C  CD  . GLU A 1 70 ? 10.376 8.354   3.511  1.00 27.08 ? 362 GLU A CD  1 
ATOM   505  O  OE1 . GLU A 1 70 ? 9.399  7.693   3.001  1.00 26.27 ? 362 GLU A OE1 1 
ATOM   506  O  OE2 . GLU A 1 70 ? 11.549 7.869   3.760  1.00 28.11 ? 362 GLU A OE2 1 
ATOM   507  N  N   . CYS A 1 71 ? 6.827  11.650  6.218  1.00 23.76 ? 363 CYS A N   1 
ATOM   508  C  CA  . CYS A 1 71 ? 5.490  12.052  6.647  1.00 23.93 ? 363 CYS A CA  1 
ATOM   509  C  C   . CYS A 1 71 ? 5.413  13.539  6.977  1.00 25.68 ? 363 CYS A C   1 
ATOM   510  O  O   . CYS A 1 71 ? 4.355  14.178  6.758  1.00 27.04 ? 363 CYS A O   1 
ATOM   511  C  CB  . CYS A 1 71 ? 4.981  11.246  7.824  1.00 25.48 ? 363 CYS A CB  1 
ATOM   512  S  SG  . CYS A 1 71 ? 4.859  9.471   7.441  1.00 23.32 ? 363 CYS A SG  1 
ATOM   513  N  N   . ARG A 1 72 ? 6.520  14.131  7.430  1.00 25.94 ? 364 ARG A N   1 
ATOM   514  C  CA  . ARG A 1 72 ? 6.551  15.578  7.648  1.00 27.20 ? 364 ARG A CA  1 
ATOM   515  C  C   . ARG A 1 72 ? 6.640  16.369  6.347  1.00 28.77 ? 364 ARG A C   1 
ATOM   516  O  O   . ARG A 1 72 ? 6.422  17.578  6.343  1.00 29.52 ? 364 ARG A O   1 
ATOM   517  C  CB  . ARG A 1 72 ? 7.703  15.990  8.575  1.00 28.21 ? 364 ARG A CB  1 
ATOM   518  C  CG  . ARG A 1 72 ? 7.694  15.368  9.955  1.00 27.77 ? 364 ARG A CG  1 
ATOM   519  C  CD  . ARG A 1 72 ? 8.834  15.876  10.859 1.00 30.96 ? 364 ARG A CD  1 
ATOM   520  N  NE  . ARG A 1 72 ? 10.131 15.862  10.168 1.00 31.96 ? 364 ARG A NE  1 
ATOM   521  C  CZ  . ARG A 1 72 ? 11.201 15.149  10.475 1.00 32.90 ? 364 ARG A CZ  1 
ATOM   522  N  NH1 . ARG A 1 72 ? 11.146 14.198  11.376 1.00 33.85 ? 364 ARG A NH1 1 
ATOM   523  N  NH2 . ARG A 1 72 ? 12.336 15.411  9.837  1.00 36.03 ? 364 ARG A NH2 1 
ATOM   524  N  N   . ASN A 1 73 ? 6.991  15.679  5.252  1.00 30.55 ? 365 ASN A N   1 
ATOM   525  C  CA  . ASN A 1 73 ? 7.230  16.285  3.958  1.00 33.73 ? 365 ASN A CA  1 
ATOM   526  C  C   . ASN A 1 73 ? 8.322  17.337  4.151  1.00 39.17 ? 365 ASN A C   1 
ATOM   527  O  O   . ASN A 1 73 ? 8.181  18.478  3.706  1.00 41.23 ? 365 ASN A O   1 
ATOM   528  C  CB  . ASN A 1 73 ? 5.910  16.735  3.361  1.00 35.23 ? 365 ASN A CB  1 
ATOM   529  C  CG  . ASN A 1 73 ? 6.042  17.026  1.890  1.00 38.80 ? 365 ASN A CG  1 
ATOM   530  O  OD1 . ASN A 1 73 ? 7.131  16.929  1.314  1.00 43.47 ? 365 ASN A OD1 1 
ATOM   531  N  ND2 . ASN A 1 73 ? 4.938  17.402  1.285  1.00 41.88 ? 365 ASN A ND2 1 
ATOM   532  N  N   . ASP A 1 74 ? 9.391  16.877  4.832  1.00 43.70 ? 366 ASP A N   1 
ATOM   533  C  CA  . ASP A 1 74 ? 10.626 17.587  5.131  1.00 49.94 ? 366 ASP A CA  1 
ATOM   534  C  C   . ASP A 1 74 ? 11.303 16.942  6.350  1.00 52.34 ? 366 ASP A C   1 
ATOM   535  O  O   . ASP A 1 74 ? 10.903 17.312  7.508  1.00 49.21 ? 366 ASP A O   1 
ATOM   536  C  CB  . ASP A 1 74 ? 10.417 19.060  5.403  1.00 61.22 ? 366 ASP A CB  1 
ATOM   537  C  CG  . ASP A 1 74 ? 11.412 19.945  4.679  1.00 71.45 ? 366 ASP A CG  1 
ATOM   538  O  OD1 . ASP A 1 74 ? 12.045 19.439  3.721  1.00 77.54 ? 366 ASP A OD1 1 
ATOM   539  O  OD2 . ASP A 1 74 ? 11.538 21.119  5.082  1.00 79.99 ? 366 ASP A OD2 1 
ATOM   540  N  N   . ARG B 2 3  ? 11.216 8.779   24.550 1.00 51.16 ? 87  ARG B N   1 
ATOM   541  C  CA  . ARG B 2 3  ? 9.929  8.114   24.894 1.00 52.08 ? 87  ARG B CA  1 
ATOM   542  C  C   . ARG B 2 3  ? 9.131  7.766   23.632 1.00 44.16 ? 87  ARG B C   1 
ATOM   543  O  O   . ARG B 2 3  ? 8.024  7.241   23.686 1.00 51.08 ? 87  ARG B O   1 
ATOM   544  C  CB  . ARG B 2 3  ? 9.173  9.081   25.808 1.00 58.28 ? 87  ARG B CB  1 
ATOM   545  C  CG  . ARG B 2 3  ? 8.135  8.474   26.738 1.00 63.67 ? 87  ARG B CG  1 
ATOM   546  C  CD  . ARG B 2 3  ? 7.212  9.575   27.188 1.00 67.79 ? 87  ARG B CD  1 
ATOM   547  N  NE  . ARG B 2 3  ? 8.059  10.744  27.449 1.00 72.90 ? 87  ARG B NE  1 
ATOM   548  C  CZ  . ARG B 2 3  ? 7.927  11.941  26.895 1.00 76.38 ? 87  ARG B CZ  1 
ATOM   549  N  NH1 . ARG B 2 3  ? 6.814  12.271  26.267 1.00 77.48 ? 87  ARG B NH1 1 
ATOM   550  N  NH2 . ARG B 2 3  ? 8.888  12.836  27.035 1.00 79.24 ? 87  ARG B NH2 1 
ATOM   551  N  N   . VAL B 2 4  ? 9.646  8.116   22.462 1.00 41.16 ? 88  VAL B N   1 
ATOM   552  C  CA  . VAL B 2 4  ? 9.069  7.623   21.217 1.00 35.64 ? 88  VAL B CA  1 
ATOM   553  C  C   . VAL B 2 4  ? 9.163  6.092   21.158 1.00 31.99 ? 88  VAL B C   1 
ATOM   554  O  O   . VAL B 2 4  ? 10.019 5.534   21.843 1.00 37.77 ? 88  VAL B O   1 
ATOM   555  C  CB  . VAL B 2 4  ? 10.031 8.367   20.281 1.00 35.50 ? 88  VAL B CB  1 
ATOM   556  C  CG1 . VAL B 2 4  ? 10.158 7.667   18.940 1.00 32.50 ? 88  VAL B CG1 1 
ATOM   557  C  CG2 . VAL B 2 4  ? 9.619  9.837   20.183 1.00 36.38 ? 88  VAL B CG2 1 
ATOM   558  N  N   . ARG B 2 5  ? 8.320  5.401   20.370 1.00 28.60 ? 89  ARG B N   1 
ATOM   559  C  CA  . ARG B 2 5  ? 8.402  3.951   20.232 1.00 28.50 ? 89  ARG B CA  1 
ATOM   560  C  C   . ARG B 2 5  ? 9.629  3.583   19.382 1.00 24.87 ? 89  ARG B C   1 
ATOM   561  O  O   . ARG B 2 5  ? 9.976  4.289   18.440 1.00 24.14 ? 89  ARG B O   1 
ATOM   562  C  CB  . ARG B 2 5  ? 7.171  3.312   19.556 1.00 33.09 ? 89  ARG B CB  1 
ATOM   563  C  CG  . ARG B 2 5  ? 5.748  3.640   20.008 1.00 37.89 ? 89  ARG B CG  1 
ATOM   564  C  CD  . ARG B 2 5  ? 4.650  3.041   19.080 1.00 37.02 ? 89  ARG B CD  1 
ATOM   565  N  NE  . ARG B 2 5  ? 4.507  3.633   17.734 1.00 35.65 ? 89  ARG B NE  1 
ATOM   566  C  CZ  . ARG B 2 5  ? 4.606  3.000   16.567 1.00 36.42 ? 89  ARG B CZ  1 
ATOM   567  N  NH1 . ARG B 2 5  ? 4.804  1.681   16.496 1.00 37.65 ? 89  ARG B NH1 1 
ATOM   568  N  NH2 . ARG B 2 5  ? 4.516  3.671   15.420 1.00 38.28 ? 89  ARG B NH2 1 
ATOM   569  N  N   . THR B 2 6  ? 10.361 2.549   19.837 1.00 24.49 ? 90  THR B N   1 
ATOM   570  C  CA  . THR B 2 6  ? 11.441 1.963   19.044 1.00 24.60 ? 90  THR B CA  1 
ATOM   571  C  C   . THR B 2 6  ? 11.024 0.642   18.417 1.00 23.68 ? 90  THR B C   1 
ATOM   572  O  O   . THR B 2 6  ? 10.079 -0.022  18.819 1.00 24.22 ? 90  THR B O   1 
ATOM   573  C  CB  . THR B 2 6  ? 12.697 1.784   19.891 1.00 26.22 ? 90  THR B CB  1 
ATOM   574  O  OG1 . THR B 2 6  ? 12.415 0.823   20.890 1.00 26.07 ? 90  THR B OG1 1 
ATOM   575  C  CG2 . THR B 2 6  ? 13.226 3.074   20.494 1.00 27.69 ? 90  THR B CG2 1 
ATOM   576  N  N   . LEU B 2 7  ? 11.829 0.211   17.436 1.00 23.57 ? 91  LEU B N   1 
ATOM   577  C  CA  . LEU B 2 7  ? 11.561 -1.092  16.844 1.00 23.37 ? 91  LEU B CA  1 
ATOM   578  C  C   . LEU B 2 7  ? 11.654 -2.172  17.929 1.00 23.57 ? 91  LEU B C   1 
ATOM   579  O  O   . LEU B 2 7  ? 10.880 -3.112  17.938 1.00 26.89 ? 91  LEU B O   1 
ATOM   580  C  CB  . LEU B 2 7  ? 12.509 -1.327  15.684 1.00 22.29 ? 91  LEU B CB  1 
ATOM   581  C  CG  . LEU B 2 7  ? 12.316 -2.642  14.934 1.00 24.59 ? 91  LEU B CG  1 
ATOM   582  C  CD1 . LEU B 2 7  ? 10.923 -2.722  14.323 1.00 25.17 ? 91  LEU B CD1 1 
ATOM   583  C  CD2 . LEU B 2 7  ? 13.418 -2.776  13.890 1.00 23.64 ? 91  LEU B CD2 1 
ATOM   584  N  N   . LEU B 2 8  ? 12.616 -2.037  18.831 1.00 24.78 ? 92  LEU B N   1 
ATOM   585  C  CA  . LEU B 2 8  ? 12.770 -3.018  19.903 1.00 26.25 ? 92  LEU B CA  1 
ATOM   586  C  C   . LEU B 2 8  ? 11.492 -3.084  20.750 1.00 27.09 ? 92  LEU B C   1 
ATOM   587  O  O   . LEU B 2 8  ? 11.031 -4.163  21.089 1.00 28.49 ? 92  LEU B O   1 
ATOM   588  C  CB  . LEU B 2 8  ? 13.991 -2.723  20.771 1.00 26.20 ? 92  LEU B CB  1 
ATOM   589  C  CG  . LEU B 2 8  ? 14.258 -3.751  21.873 1.00 31.38 ? 92  LEU B CG  1 
ATOM   590  C  CD1 . LEU B 2 8  ? 14.467 -5.132  21.233 1.00 31.49 ? 92  LEU B CD1 1 
ATOM   591  C  CD2 . LEU B 2 8  ? 15.474 -3.322  22.669 1.00 33.03 ? 92  LEU B CD2 1 
ATOM   592  N  N   . SER B 2 9  ? 10.899 -1.933  21.072 1.00 28.49 ? 93  SER B N   1 
ATOM   593  C  CA  . SER B 2 9  ? 9.665  -1.935  21.848 1.00 30.02 ? 93  SER B CA  1 
ATOM   594  C  C   . SER B 2 9  ? 8.560  -2.710  21.138 1.00 30.20 ? 93  SER B C   1 
ATOM   595  O  O   . SER B 2 9  ? 7.733  -3.337  21.789 1.00 32.01 ? 93  SER B O   1 
ATOM   596  C  CB  . SER B 2 9  ? 9.216  -0.540  22.194 1.00 30.89 ? 93  SER B CB  1 
ATOM   597  O  OG  . SER B 2 9  ? 8.572  0.114   21.118 1.00 30.36 ? 93  SER B OG  1 
ATOM   598  N  N   . VAL B 2 10 ? 8.522  -2.645  19.802 1.00 29.28 ? 94  VAL B N   1 
ATOM   599  C  CA  . VAL B 2 10 ? 7.539  -3.388  19.028 1.00 29.61 ? 94  VAL B CA  1 
ATOM   600  C  C   . VAL B 2 10 ? 7.833  -4.878  19.072 1.00 30.82 ? 94  VAL B C   1 
ATOM   601  O  O   . VAL B 2 10 ? 6.907  -5.669  19.282 1.00 33.95 ? 94  VAL B O   1 
ATOM   602  C  CB  . VAL B 2 10 ? 7.460  -2.895  17.564 1.00 29.73 ? 94  VAL B CB  1 
ATOM   603  C  CG1 . VAL B 2 10 ? 6.534  -3.745  16.689 1.00 31.59 ? 94  VAL B CG1 1 
ATOM   604  C  CG2 . VAL B 2 10 ? 7.000  -1.466  17.552 1.00 30.22 ? 94  VAL B CG2 1 
ATOM   605  N  N   . LEU B 2 11 ? 9.106  -5.239  18.820 1.00 27.58 ? 95  LEU B N   1 
ATOM   606  C  CA  . LEU B 2 11 ? 9.524  -6.629  18.714 1.00 30.29 ? 95  LEU B CA  1 
ATOM   607  C  C   . LEU B 2 11 ? 9.304  -7.399  20.012 1.00 34.02 ? 95  LEU B C   1 
ATOM   608  O  O   . LEU B 2 11 ? 9.058  -8.600  19.954 1.00 38.06 ? 95  LEU B O   1 
ATOM   609  C  CB  . LEU B 2 11 ? 10.983 -6.694  18.287 1.00 30.97 ? 95  LEU B CB  1 
ATOM   610  C  CG  . LEU B 2 11 ? 11.235 -6.189  16.863 1.00 30.11 ? 95  LEU B CG  1 
ATOM   611  C  CD1 . LEU B 2 11 ? 12.736 -6.264  16.587 1.00 29.83 ? 95  LEU B CD1 1 
ATOM   612  C  CD2 . LEU B 2 11 ? 10.441 -6.950  15.807 1.00 31.76 ? 95  LEU B CD2 1 
ATOM   613  N  N   . LYS B 2 12 ? 9.453  -6.712  21.147 1.00 32.48 ? 96  LYS B N   1 
ATOM   614  C  CA  . LYS B 2 12 ? 9.331  -7.355  22.451 1.00 38.26 ? 96  LYS B CA  1 
ATOM   615  C  C   . LYS B 2 12 ? 7.872  -7.519  22.855 1.00 40.06 ? 96  LYS B C   1 
ATOM   616  O  O   . LYS B 2 12 ? 7.585  -8.277  23.768 1.00 44.85 ? 96  LYS B O   1 
ATOM   617  C  CB  . LYS B 2 12 ? 10.102 -6.541  23.486 1.00 39.92 ? 96  LYS B CB  1 
ATOM   618  C  CG  . LYS B 2 12 ? 11.600 -6.572  23.247 1.00 45.38 ? 96  LYS B CG  1 
ATOM   619  C  CD  . LYS B 2 12 ? 12.430 -6.132  24.442 1.00 52.99 ? 96  LYS B CD  1 
ATOM   620  C  CE  . LYS B 2 12 ? 12.021 -4.803  25.004 1.00 58.43 ? 96  LYS B CE  1 
ATOM   621  N  NZ  . LYS B 2 12 ? 12.602 -4.596  26.335 1.00 63.57 ? 96  LYS B NZ  1 
ATOM   622  N  N   . ASP B 2 13 ? 6.953  -6.811  22.202 1.00 40.15 ? 97  ASP B N   1 
ATOM   623  C  CA  . ASP B 2 13 ? 5.532  -6.881  22.529 1.00 43.61 ? 97  ASP B CA  1 
ATOM   624  C  C   . ASP B 2 13 ? 4.805  -7.735  21.489 1.00 43.41 ? 97  ASP B C   1 
ATOM   625  O  O   . ASP B 2 13 ? 4.574  -7.257  20.375 1.00 41.06 ? 97  ASP B O   1 
ATOM   626  C  CB  . ASP B 2 13 ? 4.990  -5.463  22.580 1.00 43.28 ? 97  ASP B CB  1 
ATOM   627  C  CG  . ASP B 2 13 ? 3.510  -5.256  22.879 1.00 47.84 ? 97  ASP B CG  1 
ATOM   628  O  OD1 . ASP B 2 13 ? 2.690  -6.177  22.640 1.00 48.31 ? 97  ASP B OD1 1 
ATOM   629  O  OD2 . ASP B 2 13 ? 3.192  -4.143  23.335 1.00 50.10 ? 97  ASP B OD2 1 
ATOM   630  N  N   . PRO B 2 14 ? 4.380  -8.979  21.815 1.00 45.48 ? 98  PRO B N   1 
ATOM   631  C  CA  . PRO B 2 14 ? 3.721  -9.862  20.843 1.00 46.92 ? 98  PRO B CA  1 
ATOM   632  C  C   . PRO B 2 14 ? 2.509  -9.262  20.123 1.00 47.64 ? 98  PRO B C   1 
ATOM   633  O  O   . PRO B 2 14 ? 2.265  -9.546  18.952 1.00 44.04 ? 98  PRO B O   1 
ATOM   634  C  CB  . PRO B 2 14 ? 3.334  -11.091 21.692 1.00 51.38 ? 98  PRO B CB  1 
ATOM   635  C  CG  . PRO B 2 14 ? 4.322  -11.081 22.832 1.00 51.88 ? 98  PRO B CG  1 
ATOM   636  C  CD  . PRO B 2 14 ? 4.544  -9.617  23.132 1.00 48.90 ? 98  PRO B CD  1 
ATOM   637  N  N   . ILE B 2 15 ? 1.746  -8.422  20.829 1.00 48.53 ? 99  ILE B N   1 
ATOM   638  C  CA  . ILE B 2 15 ? 0.536  -7.840  20.270 1.00 48.40 ? 99  ILE B CA  1 
ATOM   639  C  C   . ILE B 2 15 ? 0.926  -6.737  19.293 1.00 43.73 ? 99  ILE B C   1 
ATOM   640  O  O   . ILE B 2 15 ? 0.375  -6.687  18.202 1.00 42.93 ? 99  ILE B O   1 
ATOM   641  C  CB  . ILE B 2 15 ? -0.401 -7.325  21.379 1.00 53.31 ? 99  ILE B CB  1 
ATOM   642  C  CG1 . ILE B 2 15 ? -1.077 -8.481  22.106 1.00 57.83 ? 99  ILE B CG1 1 
ATOM   643  C  CG2 . ILE B 2 15 ? -1.443 -6.339  20.848 1.00 54.69 ? 99  ILE B CG2 1 
ATOM   644  C  CD1 . ILE B 2 15 ? -1.631 -8.083  23.455 1.00 61.90 ? 99  ILE B CD1 1 
ATOM   645  N  N   . ALA B 2 16 ? 1.829  -5.845  19.720 1.00 42.12 ? 100 ALA B N   1 
ATOM   646  C  CA  . ALA B 2 16 ? 2.342  -4.791  18.855 1.00 40.35 ? 100 ALA B CA  1 
ATOM   647  C  C   . ALA B 2 16 ? 2.997  -5.403  17.617 1.00 38.51 ? 100 ALA B C   1 
ATOM   648  O  O   . ALA B 2 16 ? 2.787  -4.911  16.511 1.00 38.21 ? 100 ALA B O   1 
ATOM   649  C  CB  . ALA B 2 16 ? 3.336  -3.910  19.584 1.00 38.79 ? 100 ALA B CB  1 
ATOM   650  N  N   . LYS B 2 17 ? 3.784  -6.462  17.832 1.00 36.41 ? 101 LYS B N   1 
ATOM   651  C  CA  . LYS B 2 17 ? 4.458  -7.124  16.726 1.00 35.42 ? 101 LYS B CA  1 
ATOM   652  C  C   . LYS B 2 17 ? 3.431  -7.699  15.747 1.00 36.42 ? 101 LYS B C   1 
ATOM   653  O  O   . LYS B 2 17 ? 3.536  -7.492  14.537 1.00 34.09 ? 101 LYS B O   1 
ATOM   654  C  CB  . LYS B 2 17 ? 5.429  -8.195  17.221 1.00 36.89 ? 101 LYS B CB  1 
ATOM   655  C  CG  . LYS B 2 17 ? 6.258  -8.732  16.087 1.00 40.52 ? 101 LYS B CG  1 
ATOM   656  C  CD  . LYS B 2 17 ? 7.213  -9.838  16.468 1.00 43.26 ? 101 LYS B CD  1 
ATOM   657  C  CE  . LYS B 2 17 ? 7.940  -10.223 15.224 1.00 47.04 ? 101 LYS B CE  1 
ATOM   658  N  NZ  . LYS B 2 17 ? 8.943  -11.242 15.510 1.00 51.02 ? 101 LYS B NZ  1 
ATOM   659  N  N   . MET B 2 18 ? 2.393  -8.383  16.262 1.00 39.19 ? 102 MET B N   1 
ATOM   660  C  CA  . MET B 2 18 ? 1.393  -8.954  15.378 1.00 41.47 ? 102 MET B CA  1 
ATOM   661  C  C   . MET B 2 18 ? 0.645  -7.840  14.642 1.00 39.73 ? 102 MET B C   1 
ATOM   662  O  O   . MET B 2 18 ? 0.331  -7.988  13.459 1.00 40.89 ? 102 MET B O   1 
ATOM   663  C  CB  . MET B 2 18 ? 0.427  -9.893  16.122 1.00 47.83 ? 102 MET B CB  1 
ATOM   664  C  CG  . MET B 2 18 ? -0.504 -10.680 15.185 1.00 53.91 ? 102 MET B CG  1 
ATOM   665  S  SD  . MET B 2 18 ? 0.280  -11.691 13.900 1.00 59.49 ? 102 MET B SD  1 
ATOM   666  C  CE  . MET B 2 18 ? 0.870  -13.131 14.800 1.00 62.38 ? 102 MET B CE  1 
ATOM   667  N  N   . ARG B 2 19 ? 0.370  -6.719  15.319 1.00 39.36 ? 103 ARG B N   1 
ATOM   668  C  CA  . ARG B 2 19 ? -0.340 -5.615  14.689 1.00 41.83 ? 103 ARG B CA  1 
ATOM   669  C  C   . ARG B 2 19 ? 0.483  -5.113  13.505 1.00 38.42 ? 103 ARG B C   1 
ATOM   670  O  O   . ARG B 2 19 ? -0.067 -4.788  12.450 1.00 38.99 ? 103 ARG B O   1 
ATOM   671  C  CB  . ARG B 2 19 ? -0.667 -4.460  15.648 1.00 45.84 ? 103 ARG B CB  1 
ATOM   672  C  CG  . ARG B 2 19 ? -1.975 -4.685  16.407 1.00 55.18 ? 103 ARG B CG  1 
ATOM   673  C  CD  . ARG B 2 19 ? -2.491 -3.496  17.229 1.00 61.79 ? 103 ARG B CD  1 
ATOM   674  N  NE  . ARG B 2 19 ? -1.477 -2.994  18.165 1.00 66.25 ? 103 ARG B NE  1 
ATOM   675  C  CZ  . ARG B 2 19 ? -1.585 -2.843  19.486 1.00 72.69 ? 103 ARG B CZ  1 
ATOM   676  N  NH1 . ARG B 2 19 ? -2.737 -3.071  20.101 1.00 77.18 ? 103 ARG B NH1 1 
ATOM   677  N  NH2 . ARG B 2 19 ? -0.529 -2.438  20.182 1.00 70.25 ? 103 ARG B NH2 1 
ATOM   678  N  N   . ARG B 2 20 ? 1.808  -5.093  13.691 1.00 34.92 ? 104 ARG B N   1 
ATOM   679  C  CA  . ARG B 2 20 ? 2.676  -4.539  12.666 1.00 31.47 ? 104 ARG B CA  1 
ATOM   680  C  C   . ARG B 2 20 ? 2.733  -5.504  11.489 1.00 32.44 ? 104 ARG B C   1 
ATOM   681  O  O   . ARG B 2 20 ? 2.662  -5.069  10.337 1.00 36.02 ? 104 ARG B O   1 
ATOM   682  C  CB  . ARG B 2 20 ? 4.046  -4.140  13.229 1.00 29.67 ? 104 ARG B CB  1 
ATOM   683  C  CG  . ARG B 2 20 ? 4.887  -3.431  12.177 1.00 27.57 ? 104 ARG B CG  1 
ATOM   684  C  CD  . ARG B 2 20 ? 6.000  -2.615  12.787 1.00 25.32 ? 104 ARG B CD  1 
ATOM   685  N  NE  . ARG B 2 20 ? 6.652  -1.773  11.779 1.00 23.92 ? 104 ARG B NE  1 
ATOM   686  C  CZ  . ARG B 2 20 ? 7.788  -2.068  11.161 1.00 22.20 ? 104 ARG B CZ  1 
ATOM   687  N  NH1 . ARG B 2 20 ? 8.388  -3.221  11.319 1.00 23.50 ? 104 ARG B NH1 1 
ATOM   688  N  NH2 . ARG B 2 20 ? 8.336  -1.135  10.411 1.00 22.23 ? 104 ARG B NH2 1 
ATOM   689  N  N   . LEU B 2 21 ? 2.837  -6.805  11.772 1.00 33.42 ? 105 LEU B N   1 
ATOM   690  C  CA  . LEU B 2 21 ? 2.819  -7.813  10.717 1.00 35.76 ? 105 LEU B CA  1 
ATOM   691  C  C   . LEU B 2 21 ? 1.529  -7.735  9.894  1.00 37.01 ? 105 LEU B C   1 
ATOM   692  O  O   . LEU B 2 21 ? 1.552  -7.751  8.664  1.00 38.12 ? 105 LEU B O   1 
ATOM   693  C  CB  . LEU B 2 21 ? 3.004  -9.204  11.304 1.00 36.65 ? 105 LEU B CB  1 
ATOM   694  C  CG  . LEU B 2 21 ? 4.347  -9.482  11.985 1.00 37.03 ? 105 LEU B CG  1 
ATOM   695  C  CD1 . LEU B 2 21 ? 4.266  -10.762 12.793 1.00 39.53 ? 105 LEU B CD1 1 
ATOM   696  C  CD2 . LEU B 2 21 ? 5.486  -9.626  11.001 1.00 34.48 ? 105 LEU B CD2 1 
ATOM   697  N  N   . VAL B 2 22 ? 0.379  -7.666  10.570 1.00 40.05 ? 106 VAL B N   1 
ATOM   698  C  CA  . VAL B 2 22 ? -0.904 -7.596  9.882  1.00 42.33 ? 106 VAL B CA  1 
ATOM   699  C  C   . VAL B 2 22 ? -0.982 -6.380  8.959  1.00 41.54 ? 106 VAL B C   1 
ATOM   700  O  O   . VAL B 2 22 ? -1.506 -6.465  7.854  1.00 42.38 ? 106 VAL B O   1 
ATOM   701  C  CB  . VAL B 2 22 ? -2.044 -7.578  10.919 1.00 45.75 ? 106 VAL B CB  1 
ATOM   702  C  CG1 . VAL B 2 22 ? -3.373 -7.151  10.307 1.00 49.83 ? 106 VAL B CG1 1 
ATOM   703  C  CG2 . VAL B 2 22 ? -2.183 -8.933  11.603 1.00 48.12 ? 106 VAL B CG2 1 
ATOM   704  N  N   . ARG B 2 23 ? -0.459 -5.243  9.417  1.00 40.79 ? 107 ARG B N   1 
ATOM   705  C  CA  . ARG B 2 23 ? -0.477 -4.005  8.644  1.00 41.58 ? 107 ARG B CA  1 
ATOM   706  C  C   . ARG B 2 23 ? 0.437  -4.119  7.418  1.00 39.39 ? 107 ARG B C   1 
ATOM   707  O  O   . ARG B 2 23 ? 0.094  -3.671  6.328  1.00 41.64 ? 107 ARG B O   1 
ATOM   708  C  CB  . ARG B 2 23 ? -0.055 -2.903  9.620  1.00 44.27 ? 107 ARG B CB  1 
ATOM   709  C  CG  . ARG B 2 23 ? 0.106  -1.511  9.035  1.00 47.92 ? 107 ARG B CG  1 
ATOM   710  C  CD  . ARG B 2 23 ? 0.211  -0.453  10.149 1.00 50.71 ? 107 ARG B CD  1 
ATOM   711  N  NE  . ARG B 2 23 ? 0.132  0.884   9.542  1.00 52.34 ? 107 ARG B NE  1 
ATOM   712  C  CZ  . ARG B 2 23 ? 0.175  2.067   10.141 1.00 52.88 ? 107 ARG B CZ  1 
ATOM   713  N  NH1 . ARG B 2 23 ? 0.110  2.178   11.455 1.00 54.02 ? 107 ARG B NH1 1 
ATOM   714  N  NH2 . ARG B 2 23 ? 0.265  3.151   9.391  1.00 55.38 ? 107 ARG B NH2 1 
ATOM   715  N  N   . ILE B 2 24 ? 1.588  -4.776  7.584  1.00 34.52 ? 108 ILE B N   1 
ATOM   716  C  CA  . ILE B 2 24 ? 2.508  -4.902  6.464  1.00 33.78 ? 108 ILE B CA  1 
ATOM   717  C  C   . ILE B 2 24 ? 1.892  -5.839  5.428  1.00 34.28 ? 108 ILE B C   1 
ATOM   718  O  O   . ILE B 2 24 ? 1.945  -5.584  4.228  1.00 35.04 ? 108 ILE B O   1 
ATOM   719  C  CB  . ILE B 2 24 ? 3.900  -5.362  6.940  1.00 30.49 ? 108 ILE B CB  1 
ATOM   720  C  CG1 . ILE B 2 24 ? 4.606  -4.243  7.733  1.00 30.36 ? 108 ILE B CG1 1 
ATOM   721  C  CG2 . ILE B 2 24 ? 4.761  -5.844  5.774  1.00 30.14 ? 108 ILE B CG2 1 
ATOM   722  C  CD1 . ILE B 2 24 ? 5.805  -4.733  8.525  1.00 29.50 ? 108 ILE B CD1 1 
ATOM   723  N  N   . GLU B 2 25 ? 1.305  -6.941  5.898  1.00 35.28 ? 109 GLU B N   1 
ATOM   724  C  CA  . GLU B 2 25 ? 0.732  -7.918  4.986  1.00 39.64 ? 109 GLU B CA  1 
ATOM   725  C  C   . GLU B 2 25 ? -0.372 -7.248  4.170  1.00 42.58 ? 109 GLU B C   1 
ATOM   726  O  O   . GLU B 2 25 ? -0.456 -7.439  2.956  1.00 42.08 ? 109 GLU B O   1 
ATOM   727  C  CB  . GLU B 2 25 ? 0.192  -9.121  5.760  1.00 41.68 ? 109 GLU B CB  1 
ATOM   728  C  CG  . GLU B 2 25 ? -0.466 -10.177 4.874  1.00 45.77 ? 109 GLU B CG  1 
ATOM   729  C  CD  . GLU B 2 25 ? -1.224 -11.221 5.664  1.00 50.33 ? 109 GLU B CD  1 
ATOM   730  O  OE1 . GLU B 2 25 ? -2.138 -10.802 6.393  1.00 55.43 ? 109 GLU B OE1 1 
ATOM   731  O  OE2 . GLU B 2 25 ? -0.914 -12.432 5.571  1.00 52.68 ? 109 GLU B OE2 1 
ATOM   732  N  N   . GLN B 2 26 ? -1.201 -6.450  4.855  1.00 43.97 ? 110 GLN B N   1 
ATOM   733  C  CA  . GLN B 2 26 ? -2.319 -5.786  4.204  1.00 48.58 ? 110 GLN B CA  1 
ATOM   734  C  C   . GLN B 2 26 ? -1.822 -4.842  3.113  1.00 49.41 ? 110 GLN B C   1 
ATOM   735  O  O   . GLN B 2 26 ? -2.347 -4.837  1.993  1.00 50.81 ? 110 GLN B O   1 
ATOM   736  C  CB  . GLN B 2 26 ? -3.193 -5.093  5.247  1.00 52.93 ? 110 GLN B CB  1 
ATOM   737  C  CG  . GLN B 2 26 ? -4.182 -6.054  5.893  1.00 58.29 ? 110 GLN B CG  1 
ATOM   738  C  CD  . GLN B 2 26 ? -4.992 -6.806  4.853  1.00 64.21 ? 110 GLN B CD  1 
ATOM   739  O  OE1 . GLN B 2 26 ? -4.861 -8.023  4.680  1.00 67.79 ? 110 GLN B OE1 1 
ATOM   740  N  NE2 . GLN B 2 26 ? -5.785 -6.070  4.089  1.00 66.02 ? 110 GLN B NE2 1 
ATOM   741  N  N   . ARG B 2 27 ? -0.789 -4.070  3.446  1.00 47.88 ? 111 ARG B N   1 
ATOM   742  C  CA  . ARG B 2 27 ? -0.207 -3.130  2.512  1.00 49.37 ? 111 ARG B CA  1 
ATOM   743  C  C   . ARG B 2 27 ? 0.332  -3.886  1.298  1.00 47.22 ? 111 ARG B C   1 
ATOM   744  O  O   . ARG B 2 27 ? 0.085  -3.487  0.166  1.00 51.99 ? 111 ARG B O   1 
ATOM   745  C  CB  . ARG B 2 27 ? 0.843  -2.289  3.239  1.00 53.35 ? 111 ARG B CB  1 
ATOM   746  C  CG  . ARG B 2 27 ? 1.187  -0.978  2.546  1.00 62.58 ? 111 ARG B CG  1 
ATOM   747  C  CD  . ARG B 2 27 ? 2.225  -0.164  3.311  1.00 67.16 ? 111 ARG B CD  1 
ATOM   748  N  NE  . ARG B 2 27 ? 3.369  -1.033  3.610  1.00 72.77 ? 111 ARG B NE  1 
ATOM   749  C  CZ  . ARG B 2 27 ? 4.353  -1.380  2.783  1.00 69.53 ? 111 ARG B CZ  1 
ATOM   750  N  NH1 . ARG B 2 27 ? 4.868  -2.589  2.888  1.00 65.32 ? 111 ARG B NH1 1 
ATOM   751  N  NH2 . ARG B 2 27 ? 4.717  -0.603  1.779  1.00 70.66 ? 111 ARG B NH2 1 
ATOM   752  N  N   . GLN B 2 28 ? 1.030  -5.007  1.527  1.00 40.77 ? 112 GLN B N   1 
ATOM   753  C  CA  . GLN B 2 28 ? 1.645  -5.751  0.438  1.00 39.66 ? 112 GLN B CA  1 
ATOM   754  C  C   . GLN B 2 28 ? 0.619  -6.409  -0.479 1.00 42.73 ? 112 GLN B C   1 
ATOM   755  O  O   . GLN B 2 28 ? 0.942  -6.716  -1.620 1.00 41.66 ? 112 GLN B O   1 
ATOM   756  C  CB  . GLN B 2 28 ? 2.610  -6.779  1.006  1.00 36.38 ? 112 GLN B CB  1 
ATOM   757  C  CG  . GLN B 2 28 ? 3.845  -6.078  1.550  1.00 34.81 ? 112 GLN B CG  1 
ATOM   758  C  CD  . GLN B 2 28 ? 4.855  -7.009  2.188  1.00 33.95 ? 112 GLN B CD  1 
ATOM   759  O  OE1 . GLN B 2 28 ? 4.582  -8.177  2.505  1.00 32.55 ? 112 GLN B OE1 1 
ATOM   760  N  NE2 . GLN B 2 28 ? 6.054  -6.465  2.360  1.00 32.20 ? 112 GLN B NE2 1 
ATOM   761  N  N   . LYS B 2 29 ? -0.593 -6.624  0.026  1.00 44.62 ? 113 LYS B N   1 
ATOM   762  C  CA  . LYS B 2 29 ? -1.711 -7.006  -0.825 1.00 50.85 ? 113 LYS B CA  1 
ATOM   763  C  C   . LYS B 2 29 ? -2.067 -5.837  -1.757 1.00 54.08 ? 113 LYS B C   1 
ATOM   764  O  O   . LYS B 2 29 ? -2.270 -6.143  -2.952 1.00 58.67 ? 113 LYS B O   1 
ATOM   765  C  CB  . LYS B 2 29 ? -2.945 -7.386  -0.000 1.00 55.90 ? 113 LYS B CB  1 
ATOM   766  C  CG  . LYS B 2 29 ? -2.741 -8.532  0.986  1.00 58.21 ? 113 LYS B CG  1 
ATOM   767  C  CD  . LYS B 2 29 ? -2.105 -9.793  0.405  1.00 61.98 ? 113 LYS B CD  1 
ATOM   768  C  CE  . LYS B 2 29 ? -1.825 -10.853 1.431  1.00 63.59 ? 113 LYS B CE  1 
ATOM   769  N  NZ  . LYS B 2 29 ? -1.104 -11.982 0.834  1.00 64.36 ? 113 LYS B NZ  1 
ATOM   770  N  N   . GLY C 1 7  ? 53.452 -3.181  14.581 1.00 62.44 ? 299 GLY C N   1 
ATOM   771  C  CA  . GLY C 1 7  ? 52.080 -3.182  14.040 1.00 60.33 ? 299 GLY C CA  1 
ATOM   772  C  C   . GLY C 1 7  ? 51.111 -3.838  15.022 1.00 56.74 ? 299 GLY C C   1 
ATOM   773  O  O   . GLY C 1 7  ? 51.542 -4.446  16.000 1.00 57.90 ? 299 GLY C O   1 
ATOM   774  N  N   . PRO C 1 8  ? 49.783 -3.717  14.800 1.00 55.76 ? 300 PRO C N   1 
ATOM   775  C  CA  . PRO C 1 8  ? 48.788 -4.215  15.753 1.00 51.01 ? 300 PRO C CA  1 
ATOM   776  C  C   . PRO C 1 8  ? 48.848 -5.729  15.930 1.00 50.17 ? 300 PRO C C   1 
ATOM   777  O  O   . PRO C 1 8  ? 49.102 -6.466  14.982 1.00 48.04 ? 300 PRO C O   1 
ATOM   778  C  CB  . PRO C 1 8  ? 47.448 -3.745  15.157 1.00 51.47 ? 300 PRO C CB  1 
ATOM   779  C  CG  . PRO C 1 8  ? 47.739 -3.474  13.690 1.00 52.13 ? 300 PRO C CG  1 
ATOM   780  C  CD  . PRO C 1 8  ? 49.179 -3.056  13.632 1.00 56.17 ? 300 PRO C CD  1 
ATOM   781  N  N   . SER C 1 9  ? 48.579 -6.182  17.163 1.00 47.37 ? 301 SER C N   1 
ATOM   782  C  CA  . SER C 1 9  ? 48.599 -7.588  17.526 1.00 41.30 ? 301 SER C CA  1 
ATOM   783  C  C   . SER C 1 9  ? 47.561 -7.822  18.628 1.00 37.08 ? 301 SER C C   1 
ATOM   784  O  O   . SER C 1 9  ? 47.547 -7.077  19.605 1.00 37.59 ? 301 SER C O   1 
ATOM   785  C  CB  . SER C 1 9  ? 49.958 -7.960  17.983 1.00 44.12 ? 301 SER C CB  1 
ATOM   786  O  OG  . SER C 1 9  ? 50.036 -9.328  18.332 1.00 47.56 ? 301 SER C OG  1 
ATOM   787  N  N   . CYS C 1 10 ? 46.726 -8.855  18.464 1.00 30.37 ? 302 CYS C N   1 
ATOM   788  C  CA  . CYS C 1 10 ? 45.627 -9.133  19.384 1.00 27.70 ? 302 CYS C CA  1 
ATOM   789  C  C   . CYS C 1 10 ? 46.169 -9.534  20.744 1.00 27.84 ? 302 CYS C C   1 
ATOM   790  O  O   . CYS C 1 10 ? 47.043 -10.393 20.845 1.00 27.85 ? 302 CYS C O   1 
ATOM   791  C  CB  . CYS C 1 10 ? 44.752 -10.230 18.809 1.00 24.45 ? 302 CYS C CB  1 
ATOM   792  S  SG  . CYS C 1 10 ? 43.412 -10.794 19.910 1.00 25.25 ? 302 CYS C SG  1 
ATOM   793  N  N   . LYS C 1 11 ? 45.697 -8.860  21.797 1.00 28.62 ? 303 LYS C N   1 
ATOM   794  C  CA  . LYS C 1 11 ? 46.159 -9.164  23.140 1.00 29.02 ? 303 LYS C CA  1 
ATOM   795  C  C   . LYS C 1 11 ? 45.751 -10.576 23.569 1.00 27.13 ? 303 LYS C C   1 
ATOM   796  O  O   . LYS C 1 11 ? 46.394 -11.137 24.454 1.00 29.36 ? 303 LYS C O   1 
ATOM   797  C  CB  . LYS C 1 11 ? 45.630 -8.149  24.153 1.00 31.86 ? 303 LYS C CB  1 
ATOM   798  C  CG  . LYS C 1 11 ? 44.124 -8.149  24.398 1.00 33.24 ? 303 LYS C CG  1 
ATOM   799  C  CD  . LYS C 1 11 ? 43.764 -7.024  25.376 1.00 35.54 ? 303 LYS C CD  1 
ATOM   800  C  CE  . LYS C 1 11 ? 42.339 -7.013  25.820 1.00 36.50 ? 303 LYS C CE  1 
ATOM   801  N  NZ  . LYS C 1 11 ? 42.104 -5.916  26.773 1.00 41.18 ? 303 LYS C NZ  1 
ATOM   802  N  N   . HIS C 1 12 ? 44.683 -11.117 22.953 1.00 27.14 ? 304 HIS C N   1 
ATOM   803  C  CA  . HIS C 1 12 ? 44.136 -12.408 23.373 1.00 27.13 ? 304 HIS C CA  1 
ATOM   804  C  C   . HIS C 1 12 ? 44.879 -13.572 22.721 1.00 27.25 ? 304 HIS C C   1 
ATOM   805  O  O   . HIS C 1 12 ? 45.241 -14.541 23.406 1.00 29.58 ? 304 HIS C O   1 
ATOM   806  C  CB  . HIS C 1 12 ? 42.645 -12.517 23.061 1.00 27.34 ? 304 HIS C CB  1 
ATOM   807  C  CG  . HIS C 1 12 ? 41.991 -13.624 23.835 1.00 31.59 ? 304 HIS C CG  1 
ATOM   808  N  ND1 . HIS C 1 12 ? 41.589 -13.466 25.145 1.00 33.36 ? 304 HIS C ND1 1 
ATOM   809  C  CD2 . HIS C 1 12 ? 41.684 -14.910 23.496 1.00 35.15 ? 304 HIS C CD2 1 
ATOM   810  C  CE1 . HIS C 1 12 ? 41.084 -14.628 25.599 1.00 33.88 ? 304 HIS C CE1 1 
ATOM   811  N  NE2 . HIS C 1 12 ? 41.116 -15.510 24.603 1.00 37.40 ? 304 HIS C NE2 1 
ATOM   812  N  N   . CYS C 1 13 ? 45.131 -13.470 21.404 1.00 24.50 ? 305 CYS C N   1 
ATOM   813  C  CA  . CYS C 1 13 ? 45.624 -14.604 20.641 1.00 23.98 ? 305 CYS C CA  1 
ATOM   814  C  C   . CYS C 1 13 ? 46.949 -14.328 19.928 1.00 27.27 ? 305 CYS C C   1 
ATOM   815  O  O   . CYS C 1 13 ? 47.496 -15.256 19.314 1.00 25.99 ? 305 CYS C O   1 
ATOM   816  C  CB  . CYS C 1 13 ? 44.627 -15.069 19.592 1.00 24.80 ? 305 CYS C CB  1 
ATOM   817  S  SG  . CYS C 1 13 ? 44.418 -13.929 18.191 1.00 23.56 ? 305 CYS C SG  1 
ATOM   818  N  N   . LYS C 1 14 ? 47.432 -13.085 19.986 1.00 27.64 ? 306 LYS C N   1 
ATOM   819  C  CA  . LYS C 1 14 ? 48.651 -12.669 19.296 1.00 30.05 ? 306 LYS C CA  1 
ATOM   820  C  C   . LYS C 1 14 ? 48.579 -12.917 17.779 1.00 29.70 ? 306 LYS C C   1 
ATOM   821  O  O   . LYS C 1 14 ? 49.630 -12.943 17.112 1.00 33.13 ? 306 LYS C O   1 
ATOM   822  C  CB  . LYS C 1 14 ? 49.863 -13.385 19.900 1.00 32.88 ? 306 LYS C CB  1 
ATOM   823  C  CG  . LYS C 1 14 ? 50.027 -13.173 21.376 1.00 36.15 ? 306 LYS C CG  1 
ATOM   824  C  CD  . LYS C 1 14 ? 50.222 -11.701 21.689 1.00 41.22 ? 306 LYS C CD  1 
ATOM   825  C  CE  . LYS C 1 14 ? 50.996 -11.417 22.923 1.00 49.65 ? 306 LYS C CE  1 
ATOM   826  N  NZ  . LYS C 1 14 ? 50.851 -9.985  23.214 1.00 55.29 ? 306 LYS C NZ  1 
ATOM   827  N  N   . ASP C 1 15 ? 47.373 -13.094 17.256 1.00 27.14 ? 307 ASP C N   1 
ATOM   828  C  CA  . ASP C 1 15 ? 47.096 -13.438 15.863 1.00 28.42 ? 307 ASP C CA  1 
ATOM   829  C  C   . ASP C 1 15 ? 47.837 -14.709 15.451 1.00 29.37 ? 307 ASP C C   1 
ATOM   830  O  O   . ASP C 1 15 ? 48.207 -14.880 14.286 1.00 32.73 ? 307 ASP C O   1 
ATOM   831  C  CB  . ASP C 1 15 ? 47.326 -12.235 14.962 1.00 29.32 ? 307 ASP C CB  1 
ATOM   832  C  CG  . ASP C 1 15 ? 46.339 -11.111 15.241 1.00 29.37 ? 307 ASP C CG  1 
ATOM   833  O  OD1 . ASP C 1 15 ? 45.153 -11.354 15.047 1.00 26.23 ? 307 ASP C OD1 1 
ATOM   834  O  OD2 . ASP C 1 15 ? 46.802 -10.053 15.710 1.00 30.71 ? 307 ASP C OD2 1 
ATOM   835  N  N   . ASP C 1 16 ? 48.041 -15.591 16.424 1.00 28.19 ? 308 ASP C N   1 
ATOM   836  C  CA  . ASP C 1 16 ? 48.626 -16.899 16.181 1.00 28.01 ? 308 ASP C CA  1 
ATOM   837  C  C   . ASP C 1 16 ? 47.563 -17.830 15.604 1.00 27.12 ? 308 ASP C C   1 
ATOM   838  O  O   . ASP C 1 16 ? 46.563 -18.141 16.264 1.00 26.60 ? 308 ASP C O   1 
ATOM   839  C  CB  . ASP C 1 16 ? 49.178 -17.431 17.483 1.00 29.08 ? 308 ASP C CB  1 
ATOM   840  C  CG  . ASP C 1 16 ? 49.903 -18.767 17.417 1.00 32.71 ? 308 ASP C CG  1 
ATOM   841  O  OD1 . ASP C 1 16 ? 49.733 -19.496 16.415 1.00 31.89 ? 308 ASP C OD1 1 
ATOM   842  O  OD2 . ASP C 1 16 ? 50.620 -19.045 18.381 1.00 35.99 ? 308 ASP C OD2 1 
ATOM   843  N  N   . VAL C 1 17 ? 47.806 -18.289 14.373 1.00 27.70 ? 309 VAL C N   1 
ATOM   844  C  CA  . VAL C 1 17 ? 46.848 -19.123 13.672 1.00 28.72 ? 309 VAL C CA  1 
ATOM   845  C  C   . VAL C 1 17 ? 46.622 -20.466 14.376 1.00 26.05 ? 309 VAL C C   1 
ATOM   846  O  O   . VAL C 1 17 ? 45.648 -21.130 14.065 1.00 27.25 ? 309 VAL C O   1 
ATOM   847  C  CB  . VAL C 1 17 ? 47.245 -19.337 12.201 1.00 32.33 ? 309 VAL C CB  1 
ATOM   848  C  CG1 . VAL C 1 17 ? 47.200 -18.018 11.427 1.00 36.23 ? 309 VAL C CG1 1 
ATOM   849  C  CG2 . VAL C 1 17 ? 48.575 -20.054 12.060 1.00 35.29 ? 309 VAL C CG2 1 
ATOM   850  N  N   . ASN C 1 18 ? 47.506 -20.868 15.293 1.00 26.77 ? 310 ASN C N   1 
ATOM   851  C  CA  . ASN C 1 18 ? 47.363 -22.129 15.996 1.00 27.26 ? 310 ASN C CA  1 
ATOM   852  C  C   . ASN C 1 18 ? 46.518 -21.990 17.250 1.00 25.12 ? 310 ASN C C   1 
ATOM   853  O  O   . ASN C 1 18 ? 46.384 -22.949 18.009 1.00 26.68 ? 310 ASN C O   1 
ATOM   854  C  CB  . ASN C 1 18 ? 48.722 -22.707 16.339 1.00 29.26 ? 310 ASN C CB  1 
ATOM   855  C  CG  . ASN C 1 18 ? 49.496 -22.909 15.064 1.00 31.33 ? 310 ASN C CG  1 
ATOM   856  O  OD1 . ASN C 1 18 ? 49.086 -23.730 14.241 1.00 30.73 ? 310 ASN C OD1 1 
ATOM   857  N  ND2 . ASN C 1 18 ? 50.514 -22.099 14.820 1.00 34.98 ? 310 ASN C ND2 1 
ATOM   858  N  N   . ARG C 1 19 ? 45.918 -20.814 17.440 1.00 25.32 ? 311 ARG C N   1 
ATOM   859  C  CA  . ARG C 1 19 ? 45.137 -20.542 18.633 1.00 25.48 ? 311 ARG C CA  1 
ATOM   860  C  C   . ARG C 1 19 ? 43.703 -20.217 18.248 1.00 24.07 ? 311 ARG C C   1 
ATOM   861  O  O   . ARG C 1 19 ? 43.458 -19.756 17.141 1.00 25.00 ? 311 ARG C O   1 
ATOM   862  C  CB  . ARG C 1 19 ? 45.754 -19.365 19.392 1.00 25.53 ? 311 ARG C CB  1 
ATOM   863  C  CG  . ARG C 1 19 ? 47.162 -19.688 19.856 1.00 28.98 ? 311 ARG C CG  1 
ATOM   864  C  CD  . ARG C 1 19 ? 47.770 -18.683 20.798 1.00 31.61 ? 311 ARG C CD  1 
ATOM   865  N  NE  . ARG C 1 19 ? 46.922 -18.649 21.985 1.00 34.35 ? 311 ARG C NE  1 
ATOM   866  C  CZ  . ARG C 1 19 ? 46.897 -17.673 22.896 1.00 40.89 ? 311 ARG C CZ  1 
ATOM   867  N  NH1 . ARG C 1 19 ? 47.837 -16.738 22.886 1.00 40.35 ? 311 ARG C NH1 1 
ATOM   868  N  NH2 . ARG C 1 19 ? 45.910 -17.631 23.781 1.00 41.62 ? 311 ARG C NH2 1 
ATOM   869  N  N   . LEU C 1 20 ? 42.791 -20.392 19.209 1.00 23.39 ? 312 LEU C N   1 
ATOM   870  C  CA  . LEU C 1 20 ? 41.423 -19.921 19.050 1.00 22.17 ? 312 LEU C CA  1 
ATOM   871  C  C   . LEU C 1 20 ? 41.321 -18.456 19.475 1.00 22.21 ? 312 LEU C C   1 
ATOM   872  O  O   . LEU C 1 20 ? 42.010 -17.996 20.391 1.00 24.24 ? 312 LEU C O   1 
ATOM   873  C  CB  . LEU C 1 20 ? 40.493 -20.763 19.911 1.00 23.77 ? 312 LEU C CB  1 
ATOM   874  C  CG  . LEU C 1 20 ? 40.445 -22.262 19.606 1.00 24.20 ? 312 LEU C CG  1 
ATOM   875  C  CD1 . LEU C 1 20 ? 39.437 -22.967 20.502 1.00 24.80 ? 312 LEU C CD1 1 
ATOM   876  C  CD2 . LEU C 1 20 ? 40.077 -22.590 18.185 1.00 23.11 ? 312 LEU C CD2 1 
ATOM   877  N  N   . CYS C 1 21 ? 40.384 -17.738 18.840 1.00 20.17 ? 313 CYS C N   1 
ATOM   878  C  CA  . CYS C 1 21 ? 40.127 -16.369 19.254 1.00 20.68 ? 313 CYS C CA  1 
ATOM   879  C  C   . CYS C 1 21 ? 38.715 -15.958 18.819 1.00 20.07 ? 313 CYS C C   1 
ATOM   880  O  O   . CYS C 1 21 ? 38.404 -15.988 17.622 1.00 20.06 ? 313 CYS C O   1 
ATOM   881  C  CB  . CYS C 1 21 ? 41.142 -15.373 18.682 1.00 21.56 ? 313 CYS C CB  1 
ATOM   882  S  SG  . CYS C 1 21 ? 40.948 -13.734 19.455 1.00 21.89 ? 313 CYS C SG  1 
ATOM   883  N  N   . ARG C 1 22 ? 37.923 -15.531 19.816 1.00 19.83 ? 314 ARG C N   1 
ATOM   884  C  CA  . ARG C 1 22 ? 36.544 -15.123 19.554 1.00 21.06 ? 314 ARG C CA  1 
ATOM   885  C  C   . ARG C 1 22 ? 36.468 -13.635 19.234 1.00 23.82 ? 314 ARG C C   1 
ATOM   886  O  O   . ARG C 1 22 ? 35.374 -13.137 18.950 1.00 21.75 ? 314 ARG C O   1 
ATOM   887  C  CB  . ARG C 1 22 ? 35.614 -15.542 20.689 1.00 21.56 ? 314 ARG C CB  1 
ATOM   888  C  CG  . ARG C 1 22 ? 35.503 -17.047 20.846 1.00 22.90 ? 314 ARG C CG  1 
ATOM   889  C  CD  . ARG C 1 22 ? 34.836 -17.548 22.098 1.00 24.82 ? 314 ARG C CD  1 
ATOM   890  N  NE  . ARG C 1 22 ? 34.722 -19.004 22.159 1.00 27.30 ? 314 ARG C NE  1 
ATOM   891  C  CZ  . ARG C 1 22 ? 35.632 -19.914 22.397 1.00 30.53 ? 314 ARG C CZ  1 
ATOM   892  N  NH1 . ARG C 1 22 ? 36.900 -19.589 22.621 1.00 34.36 ? 314 ARG C NH1 1 
ATOM   893  N  NH2 . ARG C 1 22 ? 35.277 -21.191 22.424 1.00 33.64 ? 314 ARG C NH2 1 
ATOM   894  N  N   . VAL C 1 23 ? 37.603 -12.932 19.199 1.00 20.87 ? 315 VAL C N   1 
ATOM   895  C  CA  . VAL C 1 23 ? 37.630 -11.589 18.634 1.00 22.17 ? 315 VAL C CA  1 
ATOM   896  C  C   . VAL C 1 23 ? 38.071 -11.636 17.179 1.00 22.94 ? 315 VAL C C   1 
ATOM   897  O  O   . VAL C 1 23 ? 37.464 -11.046 16.304 1.00 23.87 ? 315 VAL C O   1 
ATOM   898  C  CB  . VAL C 1 23 ? 38.532 -10.705 19.506 1.00 24.40 ? 315 VAL C CB  1 
ATOM   899  C  CG1 . VAL C 1 23 ? 38.736 -9.346  18.848 1.00 25.99 ? 315 VAL C CG1 1 
ATOM   900  C  CG2 . VAL C 1 23 ? 37.938 -10.557 20.890 1.00 28.72 ? 315 VAL C CG2 1 
ATOM   901  N  N   . CYS C 1 24 ? 39.149 -12.351 16.890 1.00 21.39 ? 316 CYS C N   1 
ATOM   902  C  CA  . CYS C 1 24 ? 39.753 -12.329 15.564 1.00 21.92 ? 316 CYS C CA  1 
ATOM   903  C  C   . CYS C 1 24 ? 39.088 -13.313 14.608 1.00 22.00 ? 316 CYS C C   1 
ATOM   904  O  O   . CYS C 1 24 ? 39.073 -13.082 13.390 1.00 23.12 ? 316 CYS C O   1 
ATOM   905  C  CB  . CYS C 1 24 ? 41.248 -12.609 15.698 1.00 23.56 ? 316 CYS C CB  1 
ATOM   906  S  SG  . CYS C 1 24 ? 42.085 -11.345 16.686 1.00 24.23 ? 316 CYS C SG  1 
ATOM   907  N  N   . ALA C 1 25 ? 38.576 -14.406 15.161 1.00 19.97 ? 317 ALA C N   1 
ATOM   908  C  CA  . ALA C 1 25 ? 37.952 -15.447 14.369 1.00 20.30 ? 317 ALA C CA  1 
ATOM   909  C  C   . ALA C 1 25 ? 36.558 -15.714 14.923 1.00 19.38 ? 317 ALA C C   1 
ATOM   910  O  O   . ALA C 1 25 ? 35.931 -14.801 15.484 1.00 21.69 ? 317 ALA C O   1 
ATOM   911  C  CB  . ALA C 1 25 ? 38.855 -16.649 14.354 1.00 21.06 ? 317 ALA C CB  1 
ATOM   912  N  N   . CYS C 1 26 ? 35.986 -16.892 14.685 1.00 20.63 ? 318 CYS C N   1 
ATOM   913  C  CA  . CYS C 1 26 ? 34.562 -17.025 14.931 1.00 19.86 ? 318 CYS C CA  1 
ATOM   914  C  C   . CYS C 1 26 ? 34.261 -16.608 16.373 1.00 19.07 ? 318 CYS C C   1 
ATOM   915  O  O   . CYS C 1 26 ? 34.852 -17.122 17.319 1.00 18.17 ? 318 CYS C O   1 
ATOM   916  C  CB  . CYS C 1 26 ? 34.061 -18.446 14.701 1.00 21.74 ? 318 CYS C CB  1 
ATOM   917  S  SG  . CYS C 1 26 ? 32.300 -18.679 15.101 1.00 19.99 ? 318 CYS C SG  1 
ATOM   918  N  N   . HIS C 1 27 ? 33.259 -15.725 16.551 1.00 18.81 ? 319 HIS C N   1 
ATOM   919  C  CA  . HIS C 1 27 ? 32.970 -15.160 17.854 1.00 19.83 ? 319 HIS C CA  1 
ATOM   920  C  C   . HIS C 1 27 ? 32.328 -16.184 18.793 1.00 18.51 ? 319 HIS C C   1 
ATOM   921  O  O   . HIS C 1 27 ? 32.296 -16.007 19.995 1.00 20.49 ? 319 HIS C O   1 
ATOM   922  C  CB  . HIS C 1 27 ? 32.055 -13.959 17.626 1.00 18.82 ? 319 HIS C CB  1 
ATOM   923  C  CG  . HIS C 1 27 ? 31.693 -13.229 18.830 1.00 18.73 ? 319 HIS C CG  1 
ATOM   924  N  ND1 . HIS C 1 27 ? 32.686 -12.596 19.550 1.00 21.44 ? 319 HIS C ND1 1 
ATOM   925  C  CD2 . HIS C 1 27 ? 30.532 -13.004 19.461 1.00 20.34 ? 319 HIS C CD2 1 
ATOM   926  C  CE1 . HIS C 1 27 ? 32.134 -11.973 20.561 1.00 24.07 ? 319 HIS C CE1 1 
ATOM   927  N  NE2 . HIS C 1 27 ? 30.872 -12.281 20.544 1.00 21.18 ? 319 HIS C NE2 1 
ATOM   928  N  N   . LEU C 1 28 ? 31.786 -17.264 18.212 1.00 20.00 ? 320 LEU C N   1 
ATOM   929  C  CA  . LEU C 1 28 ? 31.139 -18.312 18.950 1.00 21.59 ? 320 LEU C CA  1 
ATOM   930  C  C   . LEU C 1 28 ? 32.141 -19.417 19.305 1.00 22.26 ? 320 LEU C C   1 
ATOM   931  O  O   . LEU C 1 28 ? 32.148 -19.797 20.467 1.00 26.85 ? 320 LEU C O   1 
ATOM   932  C  CB  . LEU C 1 28 ? 29.893 -18.792 18.208 1.00 23.26 ? 320 LEU C CB  1 
ATOM   933  C  CG  . LEU C 1 28 ? 28.875 -17.680 17.913 1.00 23.98 ? 320 LEU C CG  1 
ATOM   934  C  CD1 . LEU C 1 28 ? 27.680 -18.175 17.167 1.00 24.72 ? 320 LEU C CD1 1 
ATOM   935  C  CD2 . LEU C 1 28 ? 28.481 -17.006 19.204 1.00 28.73 ? 320 LEU C CD2 1 
ATOM   936  N  N   . CYS C 1 29 ? 32.907 -19.961 18.341 1.00 21.42 ? 321 CYS C N   1 
ATOM   937  C  CA  . CYS C 1 29 ? 33.760 -21.112 18.617 1.00 20.43 ? 321 CYS C CA  1 
ATOM   938  C  C   . CYS C 1 29 ? 35.240 -20.759 18.657 1.00 19.99 ? 321 CYS C C   1 
ATOM   939  O  O   . CYS C 1 29 ? 36.044 -21.626 19.067 1.00 21.46 ? 321 CYS C O   1 
ATOM   940  C  CB  . CYS C 1 29 ? 33.482 -22.250 17.631 1.00 22.99 ? 321 CYS C CB  1 
ATOM   941  S  SG  . CYS C 1 29 ? 34.118 -21.968 15.963 1.00 21.34 ? 321 CYS C SG  1 
ATOM   942  N  N   . GLY C 1 30 ? 35.621 -19.572 18.180 1.00 18.93 ? 322 GLY C N   1 
ATOM   943  C  CA  . GLY C 1 30 ? 37.007 -19.125 18.201 1.00 20.38 ? 322 GLY C CA  1 
ATOM   944  C  C   . GLY C 1 30 ? 37.818 -19.683 17.035 1.00 20.09 ? 322 GLY C C   1 
ATOM   945  O  O   . GLY C 1 30 ? 38.970 -19.321 16.874 1.00 21.80 ? 322 GLY C O   1 
ATOM   946  N  N   . GLY C 1 31 ? 37.216 -20.529 16.212 1.00 19.16 ? 323 GLY C N   1 
ATOM   947  C  CA  . GLY C 1 31 ? 37.961 -21.211 15.160 1.00 21.79 ? 323 GLY C CA  1 
ATOM   948  C  C   . GLY C 1 31 ? 38.201 -20.354 13.924 1.00 22.29 ? 323 GLY C C   1 
ATOM   949  O  O   . GLY C 1 31 ? 37.324 -19.595 13.478 1.00 21.49 ? 323 GLY C O   1 
ATOM   950  N  N   . ARG C 1 32 ? 39.354 -20.606 13.301 1.00 21.22 ? 324 ARG C N   1 
ATOM   951  C  CA  . ARG C 1 32 ? 39.754 -19.965 12.071 1.00 21.33 ? 324 ARG C CA  1 
ATOM   952  C  C   . ARG C 1 32 ? 39.455 -20.795 10.816 1.00 21.44 ? 324 ARG C C   1 
ATOM   953  O  O   . ARG C 1 32 ? 39.778 -20.371 9.710  1.00 23.30 ? 324 ARG C O   1 
ATOM   954  C  CB  . ARG C 1 32 ? 41.256 -19.690 12.138 1.00 23.72 ? 324 ARG C CB  1 
ATOM   955  C  CG  . ARG C 1 32 ? 41.687 -18.702 13.203 1.00 23.83 ? 324 ARG C CG  1 
ATOM   956  C  CD  . ARG C 1 32 ? 43.184 -18.773 13.402 1.00 26.23 ? 324 ARG C CD  1 
ATOM   957  N  NE  . ARG C 1 32 ? 43.598 -18.173 14.675 1.00 27.05 ? 324 ARG C NE  1 
ATOM   958  C  CZ  . ARG C 1 32 ? 43.641 -16.869 14.939 1.00 27.31 ? 324 ARG C CZ  1 
ATOM   959  N  NH1 . ARG C 1 32 ? 43.245 -15.990 14.039 1.00 27.28 ? 324 ARG C NH1 1 
ATOM   960  N  NH2 . ARG C 1 32 ? 44.090 -16.485 16.105 1.00 29.30 ? 324 ARG C NH2 1 
ATOM   961  N  N   . GLN C 1 33 ? 38.792 -21.947 10.976 1.00 22.35 ? 325 GLN C N   1 
ATOM   962  C  CA  . GLN C 1 33 ? 38.480 -22.815 9.862  1.00 22.78 ? 325 GLN C CA  1 
ATOM   963  C  C   . GLN C 1 33 ? 37.346 -22.210 9.030  1.00 21.65 ? 325 GLN C C   1 
ATOM   964  O  O   . GLN C 1 33 ? 36.518 -21.419 9.506  1.00 22.59 ? 325 GLN C O   1 
ATOM   965  C  CB  . GLN C 1 33 ? 38.111 -24.213 10.319 1.00 24.31 ? 325 GLN C CB  1 
ATOM   966  C  CG  . GLN C 1 33 ? 36.703 -24.466 10.832 1.00 23.84 ? 325 GLN C CG  1 
ATOM   967  C  CD  . GLN C 1 33 ? 36.444 -23.978 12.245 1.00 24.52 ? 325 GLN C CD  1 
ATOM   968  O  OE1 . GLN C 1 33 ? 37.126 -23.089 12.773 1.00 22.68 ? 325 GLN C OE1 1 
ATOM   969  N  NE2 . GLN C 1 33 ? 35.461 -24.615 12.869 1.00 26.61 ? 325 GLN C NE2 1 
ATOM   970  N  N   . ASP C 1 34 ? 37.360 -22.582 7.751  1.00 24.36 ? 326 ASP C N   1 
ATOM   971  C  CA  . ASP C 1 34 ? 36.289 -22.214 6.834  1.00 26.09 ? 326 ASP C CA  1 
ATOM   972  C  C   . ASP C 1 34 ? 36.038 -20.718 6.878  1.00 23.85 ? 326 ASP C C   1 
ATOM   973  O  O   . ASP C 1 34 ? 34.880 -20.265 7.068  1.00 22.99 ? 326 ASP C O   1 
ATOM   974  C  CB  . ASP C 1 34 ? 34.993 -22.954 7.123  1.00 27.18 ? 326 ASP C CB  1 
ATOM   975  C  CG  . ASP C 1 34 ? 35.020 -24.456 6.947  1.00 29.70 ? 326 ASP C CG  1 
ATOM   976  O  OD1 . ASP C 1 34 ? 35.818 -24.932 6.118  1.00 33.42 ? 326 ASP C OD1 1 
ATOM   977  O  OD2 . ASP C 1 34 ? 34.260 -25.146 7.651  1.00 30.81 ? 326 ASP C OD2 1 
ATOM   978  N  N   . PRO C 1 35 ? 37.069 -19.870 6.653  1.00 24.61 ? 327 PRO C N   1 
ATOM   979  C  CA  . PRO C 1 35 ? 36.848 -18.419 6.723  1.00 24.45 ? 327 PRO C CA  1 
ATOM   980  C  C   . PRO C 1 35 ? 35.882 -17.911 5.653  1.00 23.98 ? 327 PRO C C   1 
ATOM   981  O  O   . PRO C 1 35 ? 35.233 -16.874 5.889  1.00 24.30 ? 327 PRO C O   1 
ATOM   982  C  CB  . PRO C 1 35 ? 38.235 -17.822 6.564  1.00 25.08 ? 327 PRO C CB  1 
ATOM   983  C  CG  . PRO C 1 35 ? 38.928 -18.876 5.735  1.00 27.11 ? 327 PRO C CG  1 
ATOM   984  C  CD  . PRO C 1 35 ? 38.463 -20.207 6.328  1.00 27.53 ? 327 PRO C CD  1 
ATOM   985  N  N   . ASP C 1 36 ? 35.689 -18.666 4.567  1.00 24.81 ? 328 ASP C N   1 
ATOM   986  C  CA  . ASP C 1 36 ? 34.706 -18.361 3.542  1.00 28.93 ? 328 ASP C CA  1 
ATOM   987  C  C   . ASP C 1 36 ? 33.272 -18.562 4.027  1.00 26.96 ? 328 ASP C C   1 
ATOM   988  O  O   . ASP C 1 36 ? 32.347 -18.180 3.317  1.00 28.23 ? 328 ASP C O   1 
ATOM   989  C  CB  . ASP C 1 36 ? 34.920 -19.250 2.331  1.00 34.65 ? 328 ASP C CB  1 
ATOM   990  C  CG  . ASP C 1 36 ? 34.923 -20.753 2.614  1.00 40.62 ? 328 ASP C CG  1 
ATOM   991  O  OD1 . ASP C 1 36 ? 35.632 -21.214 3.580  1.00 36.56 ? 328 ASP C OD1 1 
ATOM   992  O  OD2 . ASP C 1 36 ? 34.259 -21.476 1.823  1.00 51.52 ? 328 ASP C OD2 1 
ATOM   993  N  N   . LYS C 1 37 ? 33.087 -19.184 5.202  1.00 25.82 ? 329 LYS C N   1 
ATOM   994  C  CA  . LYS C 1 37 ? 31.767 -19.437 5.751  1.00 25.87 ? 329 LYS C CA  1 
ATOM   995  C  C   . LYS C 1 37 ? 31.558 -18.663 7.051  1.00 22.92 ? 329 LYS C C   1 
ATOM   996  O  O   . LYS C 1 37 ? 30.598 -18.954 7.771  1.00 23.69 ? 329 LYS C O   1 
ATOM   997  C  CB  . LYS C 1 37 ? 31.581 -20.943 5.963  1.00 28.51 ? 329 LYS C CB  1 
ATOM   998  C  CG  . LYS C 1 37 ? 31.578 -21.746 4.673  1.00 32.63 ? 329 LYS C CG  1 
ATOM   999  C  CD  . LYS C 1 37 ? 31.483 -23.242 4.916  1.00 37.98 ? 329 LYS C CD  1 
ATOM   1000 C  CE  . LYS C 1 37 ? 31.273 -23.963 3.621  1.00 45.03 ? 329 LYS C CE  1 
ATOM   1001 N  NZ  . LYS C 1 37 ? 30.819 -25.315 3.916  1.00 51.63 ? 329 LYS C NZ  1 
ATOM   1002 N  N   . GLN C 1 38 ? 32.446 -17.700 7.333  1.00 19.86 ? 330 GLN C N   1 
ATOM   1003 C  CA  . GLN C 1 38 ? 32.322 -16.846 8.503  1.00 20.35 ? 330 GLN C CA  1 
ATOM   1004 C  C   . GLN C 1 38 ? 31.806 -15.478 8.030  1.00 19.75 ? 330 GLN C C   1 
ATOM   1005 O  O   . GLN C 1 38 ? 32.500 -14.769 7.299  1.00 22.49 ? 330 GLN C O   1 
ATOM   1006 C  CB  . GLN C 1 38 ? 33.651 -16.732 9.240  1.00 21.96 ? 330 GLN C CB  1 
ATOM   1007 C  CG  . GLN C 1 38 ? 34.169 -18.053 9.798  1.00 22.04 ? 330 GLN C CG  1 
ATOM   1008 C  CD  . GLN C 1 38 ? 35.275 -17.852 10.810 1.00 21.14 ? 330 GLN C CD  1 
ATOM   1009 O  OE1 . GLN C 1 38 ? 35.147 -17.012 11.702 1.00 22.03 ? 330 GLN C OE1 1 
ATOM   1010 N  NE2 . GLN C 1 38 ? 36.321 -18.696 10.737 1.00 21.66 ? 330 GLN C NE2 1 
ATOM   1011 N  N   . LEU C 1 39 ? 30.628 -15.106 8.500  1.00 20.44 ? 331 LEU C N   1 
ATOM   1012 C  CA  . LEU C 1 39 ? 30.002 -13.834 8.143  1.00 20.89 ? 331 LEU C CA  1 
ATOM   1013 C  C   . LEU C 1 39 ? 30.546 -12.740 9.054  1.00 20.85 ? 331 LEU C C   1 
ATOM   1014 O  O   . LEU C 1 39 ? 30.665 -12.949 10.267 1.00 21.07 ? 331 LEU C O   1 
ATOM   1015 C  CB  . LEU C 1 39 ? 28.508 -13.923 8.386  1.00 21.77 ? 331 LEU C CB  1 
ATOM   1016 C  CG  . LEU C 1 39 ? 27.753 -15.080 7.740  1.00 22.66 ? 331 LEU C CG  1 
ATOM   1017 C  CD1 . LEU C 1 39 ? 26.236 -14.911 7.918  1.00 23.52 ? 331 LEU C CD1 1 
ATOM   1018 C  CD2 . LEU C 1 39 ? 28.091 -15.202 6.279  1.00 24.44 ? 331 LEU C CD2 1 
ATOM   1019 N  N   . MET C 1 40 ? 30.838 -11.580 8.473  1.00 21.06 ? 332 MET C N   1 
ATOM   1020 C  CA  . MET C 1 40 ? 31.274 -10.437 9.253  1.00 20.12 ? 332 MET C CA  1 
ATOM   1021 C  C   . MET C 1 40 ? 30.073 -9.539  9.538  1.00 20.59 ? 332 MET C C   1 
ATOM   1022 O  O   . MET C 1 40 ? 29.392 -9.096  8.597  1.00 21.29 ? 332 MET C O   1 
ATOM   1023 C  CB  . MET C 1 40 ? 32.335 -9.663  8.470  1.00 22.71 ? 332 MET C CB  1 
ATOM   1024 C  CG  . MET C 1 40 ? 33.454 -10.537 7.936  1.00 22.98 ? 332 MET C CG  1 
ATOM   1025 S  SD  . MET C 1 40 ? 34.333 -11.438 9.210  1.00 24.75 ? 332 MET C SD  1 
ATOM   1026 C  CE  . MET C 1 40 ? 35.005 -10.117 10.228 1.00 26.96 ? 332 MET C CE  1 
ATOM   1027 N  N   . CYS C 1 41 ? 29.854 -9.284  10.822 1.00 19.46 ? 333 CYS C N   1 
ATOM   1028 C  CA  . CYS C 1 41 ? 28.825 -8.334  11.240 1.00 19.03 ? 333 CYS C CA  1 
ATOM   1029 C  C   . CYS C 1 41 ? 29.179 -6.924  10.787 1.00 19.98 ? 333 CYS C C   1 
ATOM   1030 O  O   . CYS C 1 41 ? 30.261 -6.402  11.072 1.00 20.98 ? 333 CYS C O   1 
ATOM   1031 C  CB  . CYS C 1 41 ? 28.621 -8.370  12.747 1.00 18.59 ? 333 CYS C CB  1 
ATOM   1032 S  SG  . CYS C 1 41 ? 27.299 -7.241  13.246 1.00 20.42 ? 333 CYS C SG  1 
ATOM   1033 N  N   . ASP C 1 42 ? 28.223 -6.228  10.128 1.00 21.34 ? 334 ASP C N   1 
ATOM   1034 C  CA  . ASP C 1 42 ? 28.476 -4.885  9.619  1.00 22.74 ? 334 ASP C CA  1 
ATOM   1035 C  C   . ASP C 1 42 ? 28.296 -3.804  10.700 1.00 24.18 ? 334 ASP C C   1 
ATOM   1036 O  O   . ASP C 1 42 ? 28.467 -2.628  10.386 1.00 27.52 ? 334 ASP C O   1 
ATOM   1037 C  CB  . ASP C 1 42 ? 27.652 -4.612  8.358  1.00 23.89 ? 334 ASP C CB  1 
ATOM   1038 C  CG  . ASP C 1 42 ? 28.220 -5.348  7.154  1.00 26.42 ? 334 ASP C CG  1 
ATOM   1039 O  OD1 . ASP C 1 42 ? 29.431 -5.139  6.891  1.00 28.55 ? 334 ASP C OD1 1 
ATOM   1040 O  OD2 . ASP C 1 42 ? 27.502 -6.189  6.546  1.00 25.28 ? 334 ASP C OD2 1 
ATOM   1041 N  N   . GLU C 1 43 ? 28.017 -4.181  11.950 1.00 22.29 ? 335 GLU C N   1 
ATOM   1042 C  CA  . GLU C 1 43 ? 28.119 -3.263  13.069 1.00 24.04 ? 335 GLU C CA  1 
ATOM   1043 C  C   . GLU C 1 43 ? 29.358 -3.538  13.922 1.00 23.38 ? 335 GLU C C   1 
ATOM   1044 O  O   . GLU C 1 43 ? 30.140 -2.592  14.084 1.00 25.91 ? 335 GLU C O   1 
ATOM   1045 C  CB  . GLU C 1 43 ? 26.852 -3.303  13.926 1.00 24.04 ? 335 GLU C CB  1 
ATOM   1046 C  CG  . GLU C 1 43 ? 26.947 -2.414  15.158 1.00 26.68 ? 335 GLU C CG  1 
ATOM   1047 C  CD  . GLU C 1 43 ? 25.665 -2.173  15.917 1.00 31.14 ? 335 GLU C CD  1 
ATOM   1048 O  OE1 . GLU C 1 43 ? 24.629 -2.735  15.518 1.00 25.55 ? 335 GLU C OE1 1 
ATOM   1049 O  OE2 . GLU C 1 43 ? 25.721 -1.500  16.983 1.00 36.21 ? 335 GLU C OE2 1 
ATOM   1050 N  N   . CYS C 1 44 ? 29.473 -4.744  14.520 1.00 23.10 ? 336 CYS C N   1 
ATOM   1051 C  CA  . CYS C 1 44 ? 30.527 -4.999  15.497 1.00 22.11 ? 336 CYS C CA  1 
ATOM   1052 C  C   . CYS C 1 44 ? 31.797 -5.616  14.878 1.00 22.44 ? 336 CYS C C   1 
ATOM   1053 O  O   . CYS C 1 44 ? 32.821 -5.710  15.578 1.00 22.47 ? 336 CYS C O   1 
ATOM   1054 C  CB  . CYS C 1 44 ? 30.097 -5.935  16.625 1.00 22.78 ? 336 CYS C CB  1 
ATOM   1055 S  SG  . CYS C 1 44 ? 29.662 -7.620  16.133 1.00 20.52 ? 336 CYS C SG  1 
ATOM   1056 N  N   . ASP C 1 45 ? 31.733 -6.035  13.617 1.00 20.98 ? 337 ASP C N   1 
ATOM   1057 C  CA  . ASP C 1 45 ? 32.859 -6.614  12.869 1.00 20.62 ? 337 ASP C CA  1 
ATOM   1058 C  C   . ASP C 1 45 ? 33.367 -7.911  13.483 1.00 21.01 ? 337 ASP C C   1 
ATOM   1059 O  O   . ASP C 1 45 ? 34.480 -8.333  13.141 1.00 23.01 ? 337 ASP C O   1 
ATOM   1060 C  CB  . ASP C 1 45 ? 34.002 -5.636  12.701 1.00 22.33 ? 337 ASP C CB  1 
ATOM   1061 C  CG  . ASP C 1 45 ? 34.847 -5.890  11.466 1.00 26.62 ? 337 ASP C CG  1 
ATOM   1062 O  OD1 . ASP C 1 45 ? 34.249 -6.303  10.437 1.00 28.16 ? 337 ASP C OD1 1 
ATOM   1063 O  OD2 . ASP C 1 45 ? 36.080 -5.664  11.564 1.00 29.55 ? 337 ASP C OD2 1 
ATOM   1064 N  N   . MET C 1 46 ? 32.532 -8.583  14.267 1.00 20.91 ? 338 MET C N   1 
ATOM   1065 C  CA  . MET C 1 46 ? 32.811 -9.942  14.659 1.00 19.33 ? 338 MET C CA  1 
ATOM   1066 C  C   . MET C 1 46 ? 32.424 -10.897 13.534 1.00 19.95 ? 338 MET C C   1 
ATOM   1067 O  O   . MET C 1 46 ? 31.558 -10.624 12.708 1.00 19.91 ? 338 MET C O   1 
ATOM   1068 C  CB  . MET C 1 46 ? 32.125 -10.313 15.962 1.00 18.07 ? 338 MET C CB  1 
ATOM   1069 C  CG  . MET C 1 46 ? 32.569 -9.472  17.165 1.00 19.01 ? 338 MET C CG  1 
ATOM   1070 S  SD  . MET C 1 46 ? 34.306 -9.730  17.618 1.00 23.25 ? 338 MET C SD  1 
ATOM   1071 C  CE  . MET C 1 46 ? 35.171 -8.369  16.850 1.00 25.07 ? 338 MET C CE  1 
ATOM   1072 N  N   . ALA C 1 47 ? 33.137 -12.040 13.518 1.00 19.60 ? 339 ALA C N   1 
ATOM   1073 C  CA  . ALA C 1 47 ? 32.964 -13.113 12.542 1.00 19.28 ? 339 ALA C CA  1 
ATOM   1074 C  C   . ALA C 1 47 ? 32.102 -14.218 13.120 1.00 17.24 ? 339 ALA C C   1 
ATOM   1075 O  O   . ALA C 1 47 ? 32.262 -14.543 14.296 1.00 18.11 ? 339 ALA C O   1 
ATOM   1076 C  CB  . ALA C 1 47 ? 34.328 -13.692 12.131 1.00 21.60 ? 339 ALA C CB  1 
ATOM   1077 N  N   . PHE C 1 48 ? 31.312 -14.910 12.276 1.00 17.74 ? 340 PHE C N   1 
ATOM   1078 C  CA  . PHE C 1 48 ? 30.402 -15.947 12.768 1.00 18.13 ? 340 PHE C CA  1 
ATOM   1079 C  C   . PHE C 1 48 ? 30.288 -17.055 11.721 1.00 19.78 ? 340 PHE C C   1 
ATOM   1080 O  O   . PHE C 1 48 ? 29.787 -16.840 10.621 1.00 19.90 ? 340 PHE C O   1 
ATOM   1081 C  CB  . PHE C 1 48 ? 28.978 -15.403 12.975 1.00 19.20 ? 340 PHE C CB  1 
ATOM   1082 C  CG  . PHE C 1 48 ? 28.881 -14.387 14.094 1.00 19.51 ? 340 PHE C CG  1 
ATOM   1083 C  CD1 . PHE C 1 48 ? 29.184 -13.053 13.832 1.00 17.88 ? 340 PHE C CD1 1 
ATOM   1084 C  CD2 . PHE C 1 48 ? 28.455 -14.775 15.358 1.00 19.37 ? 340 PHE C CD2 1 
ATOM   1085 C  CE1 . PHE C 1 48 ? 29.184 -12.151 14.885 1.00 16.93 ? 340 PHE C CE1 1 
ATOM   1086 C  CE2 . PHE C 1 48 ? 28.357 -13.835 16.393 1.00 20.04 ? 340 PHE C CE2 1 
ATOM   1087 C  CZ  . PHE C 1 48 ? 28.757 -12.533 16.133 1.00 18.56 ? 340 PHE C CZ  1 
ATOM   1088 N  N   . HIS C 1 49 ? 30.735 -18.267 12.051 1.00 19.78 ? 341 HIS C N   1 
ATOM   1089 C  CA  . HIS C 1 49 ? 30.467 -19.385 11.152 1.00 21.33 ? 341 HIS C CA  1 
ATOM   1090 C  C   . HIS C 1 49 ? 28.967 -19.536 10.927 1.00 21.29 ? 341 HIS C C   1 
ATOM   1091 O  O   . HIS C 1 49 ? 28.194 -19.530 11.873 1.00 21.06 ? 341 HIS C O   1 
ATOM   1092 C  CB  . HIS C 1 49 ? 30.932 -20.729 11.716 1.00 22.09 ? 341 HIS C CB  1 
ATOM   1093 C  CG  . HIS C 1 49 ? 32.395 -20.933 11.686 1.00 21.16 ? 341 HIS C CG  1 
ATOM   1094 N  ND1 . HIS C 1 49 ? 33.079 -21.143 12.854 1.00 22.60 ? 341 HIS C ND1 1 
ATOM   1095 C  CD2 . HIS C 1 49 ? 33.256 -21.120 10.683 1.00 23.27 ? 341 HIS C CD2 1 
ATOM   1096 C  CE1 . HIS C 1 49 ? 34.337 -21.389 12.574 1.00 22.93 ? 341 HIS C CE1 1 
ATOM   1097 N  NE2 . HIS C 1 49 ? 34.477 -21.425 11.243 1.00 23.25 ? 341 HIS C NE2 1 
ATOM   1098 N  N   . ILE C 1 50 ? 28.565 -19.777 9.675  1.00 22.33 ? 342 ILE C N   1 
ATOM   1099 C  CA  . ILE C 1 50 ? 27.150 -19.989 9.397  1.00 23.69 ? 342 ILE C CA  1 
ATOM   1100 C  C   . ILE C 1 50 ? 26.616 -21.159 10.207 1.00 26.15 ? 342 ILE C C   1 
ATOM   1101 O  O   . ILE C 1 50 ? 25.447 -21.155 10.552 1.00 27.10 ? 342 ILE C O   1 
ATOM   1102 C  CB  . ILE C 1 50 ? 26.873 -20.136 7.891  1.00 24.39 ? 342 ILE C CB  1 
ATOM   1103 C  CG1 . ILE C 1 50 ? 27.644 -21.307 7.261  1.00 28.12 ? 342 ILE C CG1 1 
ATOM   1104 C  CG2 . ILE C 1 50 ? 27.126 -18.783 7.210  1.00 22.90 ? 342 ILE C CG2 1 
ATOM   1105 C  CD1 . ILE C 1 50 ? 27.348 -21.521 5.789  1.00 30.40 ? 342 ILE C CD1 1 
ATOM   1106 N  N   . TYR C 1 51 ? 27.453 -22.168 10.503 1.00 23.83 ? 343 TYR C N   1 
ATOM   1107 C  CA  . TYR C 1 51 ? 26.991 -23.337 11.229 1.00 25.35 ? 343 TYR C CA  1 
ATOM   1108 C  C   . TYR C 1 51 ? 27.135 -23.207 12.748 1.00 24.01 ? 343 TYR C C   1 
ATOM   1109 O  O   . TYR C 1 51 ? 26.697 -24.107 13.462 1.00 27.19 ? 343 TYR C O   1 
ATOM   1110 C  CB  . TYR C 1 51 ? 27.773 -24.539 10.718 1.00 27.69 ? 343 TYR C CB  1 
ATOM   1111 C  CG  . TYR C 1 51 ? 29.274 -24.398 10.534 1.00 26.84 ? 343 TYR C CG  1 
ATOM   1112 C  CD1 . TYR C 1 51 ? 30.138 -24.347 11.621 1.00 25.81 ? 343 TYR C CD1 1 
ATOM   1113 C  CD2 . TYR C 1 51 ? 29.821 -24.407 9.261  1.00 28.71 ? 343 TYR C CD2 1 
ATOM   1114 C  CE1 . TYR C 1 51 ? 31.507 -24.261 11.434 1.00 27.42 ? 343 TYR C CE1 1 
ATOM   1115 C  CE2 . TYR C 1 51 ? 31.189 -24.355 9.061  1.00 31.00 ? 343 TYR C CE2 1 
ATOM   1116 C  CZ  . TYR C 1 51 ? 32.033 -24.310 10.150 1.00 29.44 ? 343 TYR C CZ  1 
ATOM   1117 O  OH  . TYR C 1 51 ? 33.381 -24.336 9.948  1.00 29.10 ? 343 TYR C OH  1 
ATOM   1118 N  N   . CYS C 1 52 ? 27.716 -22.102 13.239 1.00 22.34 ? 344 CYS C N   1 
ATOM   1119 C  CA  . CYS C 1 52 ? 27.735 -21.836 14.667 1.00 22.12 ? 344 CYS C CA  1 
ATOM   1120 C  C   . CYS C 1 52 ? 26.521 -21.034 15.135 1.00 23.66 ? 344 CYS C C   1 
ATOM   1121 O  O   . CYS C 1 52 ? 26.133 -21.118 16.290 1.00 25.01 ? 344 CYS C O   1 
ATOM   1122 C  CB  . CYS C 1 52 ? 29.036 -21.153 15.072 1.00 20.69 ? 344 CYS C CB  1 
ATOM   1123 S  SG  . CYS C 1 52 ? 30.478 -22.261 15.046 1.00 24.51 ? 344 CYS C SG  1 
ATOM   1124 N  N   . LEU C 1 53 ? 25.961 -20.233 14.246 1.00 23.23 ? 345 LEU C N   1 
ATOM   1125 C  CA  . LEU C 1 53 ? 24.745 -19.484 14.554 1.00 24.94 ? 345 LEU C CA  1 
ATOM   1126 C  C   . LEU C 1 53 ? 23.615 -20.452 14.874 1.00 27.79 ? 345 LEU C C   1 
ATOM   1127 O  O   . LEU C 1 53 ? 23.559 -21.556 14.353 1.00 30.15 ? 345 LEU C O   1 
ATOM   1128 C  CB  . LEU C 1 53 ? 24.431 -18.611 13.353 1.00 25.07 ? 345 LEU C CB  1 
ATOM   1129 C  CG  . LEU C 1 53 ? 25.407 -17.458 13.088 1.00 24.71 ? 345 LEU C CG  1 
ATOM   1130 C  CD1 . LEU C 1 53 ? 25.241 -16.986 11.662 1.00 27.63 ? 345 LEU C CD1 1 
ATOM   1131 C  CD2 . LEU C 1 53 ? 25.245 -16.300 14.049 1.00 23.98 ? 345 LEU C CD2 1 
ATOM   1132 N  N   . ASP C 1 54 ? 22.719 -20.006 15.746 1.00 30.22 ? 346 ASP C N   1 
ATOM   1133 C  CA  . ASP C 1 54 ? 21.630 -20.859 16.205 1.00 33.84 ? 346 ASP C CA  1 
ATOM   1134 C  C   . ASP C 1 54 ? 20.350 -20.061 16.046 1.00 35.99 ? 346 ASP C C   1 
ATOM   1135 O  O   . ASP C 1 54 ? 20.143 -19.134 16.813 1.00 38.31 ? 346 ASP C O   1 
ATOM   1136 C  CB  . ASP C 1 54 ? 21.885 -21.264 17.644 1.00 37.83 ? 346 ASP C CB  1 
ATOM   1137 C  CG  . ASP C 1 54 ? 20.879 -22.224 18.247 1.00 43.55 ? 346 ASP C CG  1 
ATOM   1138 O  OD1 . ASP C 1 54 ? 19.974 -22.655 17.509 1.00 43.54 ? 346 ASP C OD1 1 
ATOM   1139 O  OD2 . ASP C 1 54 ? 21.027 -22.525 19.453 1.00 50.75 ? 346 ASP C OD2 1 
ATOM   1140 N  N   . PRO C 1 55 ? 19.483 -20.355 15.057 1.00 37.43 ? 347 PRO C N   1 
ATOM   1141 C  CA  . PRO C 1 55 ? 19.659 -21.501 14.165 1.00 37.87 ? 347 PRO C CA  1 
ATOM   1142 C  C   . PRO C 1 55 ? 20.693 -21.288 13.070 1.00 35.85 ? 347 PRO C C   1 
ATOM   1143 O  O   . PRO C 1 55 ? 21.074 -20.147 12.759 1.00 32.99 ? 347 PRO C O   1 
ATOM   1144 C  CB  . PRO C 1 55 ? 18.248 -21.687 13.595 1.00 40.65 ? 347 PRO C CB  1 
ATOM   1145 C  CG  . PRO C 1 55 ? 17.687 -20.300 13.551 1.00 40.79 ? 347 PRO C CG  1 
ATOM   1146 C  CD  . PRO C 1 55 ? 18.214 -19.645 14.809 1.00 39.20 ? 347 PRO C CD  1 
ATOM   1147 N  N   . PRO C 1 56 ? 21.271 -22.379 12.521 1.00 34.55 ? 348 PRO C N   1 
ATOM   1148 C  CA  . PRO C 1 56 ? 22.351 -22.219 11.554 1.00 33.53 ? 348 PRO C CA  1 
ATOM   1149 C  C   . PRO C 1 56 ? 21.868 -21.772 10.183 1.00 32.61 ? 348 PRO C C   1 
ATOM   1150 O  O   . PRO C 1 56 ? 20.703 -21.985 9.821  1.00 35.72 ? 348 PRO C O   1 
ATOM   1151 C  CB  . PRO C 1 56 ? 22.986 -23.607 11.542 1.00 35.80 ? 348 PRO C CB  1 
ATOM   1152 C  CG  . PRO C 1 56 ? 21.830 -24.530 11.805 1.00 37.75 ? 348 PRO C CG  1 
ATOM   1153 C  CD  . PRO C 1 56 ? 20.993 -23.782 12.840 1.00 37.68 ? 348 PRO C CD  1 
ATOM   1154 N  N   . LEU C 1 57 ? 22.798 -21.205 9.409  1.00 29.85 ? 349 LEU C N   1 
ATOM   1155 C  CA  . LEU C 1 57 ? 22.521 -20.837 8.032  1.00 32.80 ? 349 LEU C CA  1 
ATOM   1156 C  C   . LEU C 1 57 ? 23.127 -21.890 7.124  1.00 34.34 ? 349 LEU C C   1 
ATOM   1157 O  O   . LEU C 1 57 ? 24.234 -22.381 7.391  1.00 33.96 ? 349 LEU C O   1 
ATOM   1158 C  CB  . LEU C 1 57 ? 23.092 -19.461 7.713  1.00 31.71 ? 349 LEU C CB  1 
ATOM   1159 C  CG  . LEU C 1 57 ? 22.312 -18.258 8.247  1.00 31.80 ? 349 LEU C CG  1 
ATOM   1160 C  CD1 . LEU C 1 57 ? 22.067 -18.246 9.741  1.00 34.98 ? 349 LEU C CD1 1 
ATOM   1161 C  CD2 . LEU C 1 57 ? 23.067 -17.028 7.839  1.00 31.54 ? 349 LEU C CD2 1 
ATOM   1162 N  N   . SER C 1 58 ? 22.399 -22.206 6.047  1.00 39.32 ? 350 SER C N   1 
ATOM   1163 C  CA  . SER C 1 58 ? 22.896 -23.168 5.078  1.00 42.69 ? 350 SER C CA  1 
ATOM   1164 C  C   . SER C 1 58 ? 23.825 -22.514 4.051  1.00 40.82 ? 350 SER C C   1 
ATOM   1165 O  O   . SER C 1 58 ? 24.560 -23.228 3.386  1.00 42.59 ? 350 SER C O   1 
ATOM   1166 C  CB  . SER C 1 58 ? 21.777 -23.932 4.418  1.00 46.84 ? 350 SER C CB  1 
ATOM   1167 O  OG  . SER C 1 58 ? 20.929 -23.070 3.685  1.00 52.04 ? 350 SER C OG  1 
ATOM   1168 N  N   . SER C 1 59 ? 23.836 -21.182 3.916  1.00 36.04 ? 351 SER C N   1 
ATOM   1169 C  CA  . SER C 1 59 ? 24.777 -20.553 2.996  1.00 36.51 ? 351 SER C CA  1 
ATOM   1170 C  C   . SER C 1 59 ? 25.010 -19.099 3.396  1.00 33.30 ? 351 SER C C   1 
ATOM   1171 O  O   . SER C 1 59 ? 24.295 -18.561 4.236  1.00 32.05 ? 351 SER C O   1 
ATOM   1172 C  CB  . SER C 1 59 ? 24.307 -20.640 1.567  1.00 40.75 ? 351 SER C CB  1 
ATOM   1173 O  OG  . SER C 1 59 ? 23.050 -20.006 1.460  1.00 42.09 ? 351 SER C OG  1 
ATOM   1174 N  N   . VAL C 1 60 ? 25.998 -18.464 2.758  1.00 32.34 ? 352 VAL C N   1 
ATOM   1175 C  CA  . VAL C 1 60 ? 26.276 -17.053 3.000  1.00 31.03 ? 352 VAL C CA  1 
ATOM   1176 C  C   . VAL C 1 60 ? 25.124 -16.251 2.396  1.00 30.29 ? 352 VAL C C   1 
ATOM   1177 O  O   . VAL C 1 60 ? 24.836 -16.409 1.223  1.00 32.65 ? 352 VAL C O   1 
ATOM   1178 C  CB  . VAL C 1 60 ? 27.632 -16.646 2.389  1.00 30.61 ? 352 VAL C CB  1 
ATOM   1179 C  CG1 . VAL C 1 60 ? 27.903 -15.154 2.444  1.00 30.10 ? 352 VAL C CG1 1 
ATOM   1180 C  CG2 . VAL C 1 60 ? 28.785 -17.405 3.026  1.00 31.91 ? 352 VAL C CG2 1 
ATOM   1181 N  N   . PRO C 1 61 ? 24.411 -15.381 3.154  1.00 29.94 ? 353 PRO C N   1 
ATOM   1182 C  CA  . PRO C 1 61 ? 23.311 -14.601 2.578  1.00 30.53 ? 353 PRO C CA  1 
ATOM   1183 C  C   . PRO C 1 61 ? 23.728 -13.740 1.391  1.00 30.96 ? 353 PRO C C   1 
ATOM   1184 O  O   . PRO C 1 61 ? 24.814 -13.176 1.379  1.00 32.36 ? 353 PRO C O   1 
ATOM   1185 C  CB  . PRO C 1 61 ? 22.812 -13.718 3.747  1.00 30.04 ? 353 PRO C CB  1 
ATOM   1186 C  CG  . PRO C 1 61 ? 23.286 -14.451 4.989  1.00 29.03 ? 353 PRO C CG  1 
ATOM   1187 C  CD  . PRO C 1 61 ? 24.572 -15.144 4.586  1.00 29.89 ? 353 PRO C CD  1 
ATOM   1188 N  N   . SER C 1 62 ? 22.810 -13.617 0.440  1.00 31.21 ? 354 SER C N   1 
ATOM   1189 C  CA  . SER C 1 62 ? 22.954 -12.747 -0.702 1.00 32.27 ? 354 SER C CA  1 
ATOM   1190 C  C   . SER C 1 62 ? 22.346 -11.395 -0.336 1.00 30.79 ? 354 SER C C   1 
ATOM   1191 O  O   . SER C 1 62 ? 21.244 -11.060 -0.772 1.00 33.46 ? 354 SER C O   1 
ATOM   1192 C  CB  . SER C 1 62 ? 22.290 -13.358 -1.929 1.00 39.21 ? 354 SER C CB  1 
ATOM   1193 O  OG  . SER C 1 62 ? 22.353 -12.437 -3.003 1.00 45.47 ? 354 SER C OG  1 
ATOM   1194 N  N   . GLU C 1 63 ? 23.070 -10.641 0.496  1.00 26.94 ? 355 GLU C N   1 
ATOM   1195 C  CA  . GLU C 1 63 ? 22.565 -9.383  1.028  1.00 27.12 ? 355 GLU C CA  1 
ATOM   1196 C  C   . GLU C 1 63 ? 23.666 -8.330  0.979  1.00 27.04 ? 355 GLU C C   1 
ATOM   1197 O  O   . GLU C 1 63 ? 24.842 -8.679  0.939  1.00 29.03 ? 355 GLU C O   1 
ATOM   1198 C  CB  . GLU C 1 63 ? 22.130 -9.631  2.472  1.00 25.75 ? 355 GLU C CB  1 
ATOM   1199 C  CG  . GLU C 1 63 ? 20.971 -10.622 2.619  1.00 27.01 ? 355 GLU C CG  1 
ATOM   1200 C  CD  . GLU C 1 63 ? 19.622 -10.142 2.123  1.00 27.03 ? 355 GLU C CD  1 
ATOM   1201 O  OE1 . GLU C 1 63 ? 18.873 -10.970 1.494  1.00 30.09 ? 355 GLU C OE1 1 
ATOM   1202 O  OE2 . GLU C 1 63 ? 19.245 -8.925  2.283  1.00 26.33 ? 355 GLU C OE2 1 
ATOM   1203 N  N   . ASP C 1 64 ? 23.286 -7.061  1.048  1.00 28.34 ? 356 ASP C N   1 
ATOM   1204 C  CA  . ASP C 1 64 ? 24.258 -5.975  1.023  1.00 27.92 ? 356 ASP C CA  1 
ATOM   1205 C  C   . ASP C 1 64 ? 25.047 -5.887  2.322  1.00 28.38 ? 356 ASP C C   1 
ATOM   1206 O  O   . ASP C 1 64 ? 26.243 -5.589  2.307  1.00 29.24 ? 356 ASP C O   1 
ATOM   1207 C  CB  . ASP C 1 64 ? 23.589 -4.653  0.731  1.00 30.13 ? 356 ASP C CB  1 
ATOM   1208 C  CG  . ASP C 1 64 ? 23.012 -4.492  -0.680 1.00 34.57 ? 356 ASP C CG  1 
ATOM   1209 O  OD1 . ASP C 1 64 ? 23.373 -5.272  -1.547 1.00 37.49 ? 356 ASP C OD1 1 
ATOM   1210 O  OD2 . ASP C 1 64 ? 22.196 -3.603  -0.885 1.00 35.02 ? 356 ASP C OD2 1 
ATOM   1211 N  N   . GLU C 1 65 ? 24.402 -6.228  3.440  1.00 23.56 ? 357 GLU C N   1 
ATOM   1212 C  CA  . GLU C 1 65 ? 24.985 -6.122  4.757  1.00 22.08 ? 357 GLU C CA  1 
ATOM   1213 C  C   . GLU C 1 65 ? 24.347 -7.242  5.579  1.00 21.58 ? 357 GLU C C   1 
ATOM   1214 O  O   . GLU C 1 65 ? 23.311 -7.754  5.167  1.00 21.94 ? 357 GLU C O   1 
ATOM   1215 C  CB  . GLU C 1 65 ? 24.794 -4.827  5.547  1.00 22.68 ? 357 GLU C CB  1 
ATOM   1216 C  CG  . GLU C 1 65 ? 25.558 -3.632  4.976  1.00 26.13 ? 357 GLU C CG  1 
ATOM   1217 C  CD  . GLU C 1 65 ? 24.951 -2.897  3.829  1.00 30.29 ? 357 GLU C CD  1 
ATOM   1218 O  OE1 . GLU C 1 65 ? 23.693 -2.746  3.802  1.00 31.59 ? 357 GLU C OE1 1 
ATOM   1219 O  OE2 . GLU C 1 65 ? 25.733 -2.307  2.984  1.00 32.39 ? 357 GLU C OE2 1 
ATOM   1220 N  N   . TRP C 1 66 ? 25.005 -7.619  6.682  1.00 20.25 ? 358 TRP C N   1 
ATOM   1221 C  CA  . TRP C 1 66 ? 24.472 -8.605  7.616  1.00 19.58 ? 358 TRP C CA  1 
ATOM   1222 C  C   . TRP C 1 66 ? 24.834 -8.166  9.027  1.00 19.44 ? 358 TRP C C   1 
ATOM   1223 O  O   . TRP C 1 66 ? 25.907 -7.594  9.217  1.00 20.95 ? 358 TRP C O   1 
ATOM   1224 C  CB  . TRP C 1 66 ? 25.043 -9.998  7.332  1.00 19.69 ? 358 TRP C CB  1 
ATOM   1225 C  CG  . TRP C 1 66 ? 24.570 -11.040 8.306  1.00 18.88 ? 358 TRP C CG  1 
ATOM   1226 C  CD1 . TRP C 1 66 ? 23.443 -11.807 8.235  1.00 20.23 ? 358 TRP C CD1 1 
ATOM   1227 C  CD2 . TRP C 1 66 ? 25.290 -11.509 9.465  1.00 20.35 ? 358 TRP C CD2 1 
ATOM   1228 N  NE1 . TRP C 1 66 ? 23.383 -12.672 9.302  1.00 21.75 ? 358 TRP C NE1 1 
ATOM   1229 C  CE2 . TRP C 1 66 ? 24.499 -12.509 10.061 1.00 19.72 ? 358 TRP C CE2 1 
ATOM   1230 C  CE3 . TRP C 1 66 ? 26.529 -11.194 10.027 1.00 20.39 ? 358 TRP C CE3 1 
ATOM   1231 C  CZ2 . TRP C 1 66 ? 24.910 -13.209 11.203 1.00 20.72 ? 358 TRP C CZ2 1 
ATOM   1232 C  CZ3 . TRP C 1 66 ? 26.925 -11.876 11.161 1.00 20.24 ? 358 TRP C CZ3 1 
ATOM   1233 C  CH2 . TRP C 1 66 ? 26.112 -12.838 11.756 1.00 19.83 ? 358 TRP C CH2 1 
ATOM   1234 N  N   . TYR C 1 67 ? 23.894 -8.358  9.970  1.00 19.97 ? 359 TYR C N   1 
ATOM   1235 C  CA  . TYR C 1 67 ? 24.078 -7.969  11.345 1.00 18.64 ? 359 TYR C CA  1 
ATOM   1236 C  C   . TYR C 1 67 ? 23.819 -9.179  12.241 1.00 19.43 ? 359 TYR C C   1 
ATOM   1237 O  O   . TYR C 1 67 ? 22.833 -9.906  12.047 1.00 21.39 ? 359 TYR C O   1 
ATOM   1238 C  CB  . TYR C 1 67 ? 23.129 -6.821  11.710 1.00 20.02 ? 359 TYR C CB  1 
ATOM   1239 C  CG  . TYR C 1 67 ? 23.380 -5.643  10.793 1.00 19.72 ? 359 TYR C CG  1 
ATOM   1240 C  CD1 . TYR C 1 67 ? 24.398 -4.746  11.060 1.00 21.34 ? 359 TYR C CD1 1 
ATOM   1241 C  CD2 . TYR C 1 67 ? 22.592 -5.419  9.669  1.00 21.24 ? 359 TYR C CD2 1 
ATOM   1242 C  CE1 . TYR C 1 67 ? 24.651 -3.693  10.199 1.00 22.91 ? 359 TYR C CE1 1 
ATOM   1243 C  CE2 . TYR C 1 67 ? 22.858 -4.392  8.791  1.00 20.85 ? 359 TYR C CE2 1 
ATOM   1244 C  CZ  . TYR C 1 67 ? 23.848 -3.478  9.093  1.00 21.16 ? 359 TYR C CZ  1 
ATOM   1245 O  OH  . TYR C 1 67 ? 24.098 -2.423  8.263  1.00 22.58 ? 359 TYR C OH  1 
ATOM   1246 N  N   . CYS C 1 68 ? 24.733 -9.347  13.216 1.00 20.05 ? 360 CYS C N   1 
ATOM   1247 C  CA  . CYS C 1 68 ? 24.754 -10.524 14.049 1.00 21.03 ? 360 CYS C CA  1 
ATOM   1248 C  C   . CYS C 1 68 ? 23.665 -10.505 15.100 1.00 19.56 ? 360 CYS C C   1 
ATOM   1249 O  O   . CYS C 1 68 ? 22.967 -9.504  15.379 1.00 19.51 ? 360 CYS C O   1 
ATOM   1250 C  CB  . CYS C 1 68 ? 26.140 -10.669 14.672 1.00 19.80 ? 360 CYS C CB  1 
ATOM   1251 S  SG  . CYS C 1 68 ? 26.393 -9.651  16.137 1.00 21.54 ? 360 CYS C SG  1 
ATOM   1252 N  N   . PRO C 1 69 ? 23.356 -11.671 15.717 1.00 20.96 ? 361 PRO C N   1 
ATOM   1253 C  CA  . PRO C 1 69 ? 22.330 -11.756 16.733 1.00 22.96 ? 361 PRO C CA  1 
ATOM   1254 C  C   . PRO C 1 69 ? 22.508 -10.800 17.906 1.00 21.73 ? 361 PRO C C   1 
ATOM   1255 O  O   . PRO C 1 69 ? 21.540 -10.273 18.432 1.00 24.19 ? 361 PRO C O   1 
ATOM   1256 C  CB  . PRO C 1 69 ? 22.367 -13.253 17.173 1.00 24.38 ? 361 PRO C CB  1 
ATOM   1257 C  CG  . PRO C 1 69 ? 23.047 -13.962 16.031 1.00 24.89 ? 361 PRO C CG  1 
ATOM   1258 C  CD  . PRO C 1 69 ? 24.012 -12.974 15.410 1.00 21.97 ? 361 PRO C CD  1 
ATOM   1259 N  N   . GLU C 1 70 ? 23.773 -10.531 18.258 1.00 21.61 ? 362 GLU C N   1 
ATOM   1260 C  CA  . GLU C 1 70 ? 23.994 -9.606  19.375 1.00 23.45 ? 362 GLU C CA  1 
ATOM   1261 C  C   . GLU C 1 70 ? 23.599 -8.190  18.945 1.00 23.32 ? 362 GLU C C   1 
ATOM   1262 O  O   . GLU C 1 70 ? 22.909 -7.487  19.701 1.00 24.08 ? 362 GLU C O   1 
ATOM   1263 C  CB  . GLU C 1 70 ? 25.457 -9.663  19.829 1.00 26.35 ? 362 GLU C CB  1 
ATOM   1264 C  CG  . GLU C 1 70 ? 25.796 -10.940 20.610 1.00 26.73 ? 362 GLU C CG  1 
ATOM   1265 C  CD  . GLU C 1 70 ? 27.270 -11.292 21.035 1.00 28.08 ? 362 GLU C CD  1 
ATOM   1266 O  OE1 . GLU C 1 70 ? 28.120 -10.435 21.010 1.00 31.64 ? 362 GLU C OE1 1 
ATOM   1267 O  OE2 . GLU C 1 70 ? 27.641 -12.391 21.410 1.00 42.43 ? 362 GLU C OE2 1 
ATOM   1268 N  N   . CYS C 1 71 ? 24.039 -7.758  17.768 1.00 22.15 ? 363 CYS C N   1 
ATOM   1269 C  CA  . CYS C 1 71 ? 23.741 -6.412  17.310 1.00 23.61 ? 363 CYS C CA  1 
ATOM   1270 C  C   . CYS C 1 71 ? 22.249 -6.238  17.013 1.00 22.24 ? 363 CYS C C   1 
ATOM   1271 O  O   . CYS C 1 71 ? 21.669 -5.151  17.251 1.00 23.51 ? 363 CYS C O   1 
ATOM   1272 C  CB  . CYS C 1 71 ? 24.573 -5.957  16.118 1.00 22.46 ? 363 CYS C CB  1 
ATOM   1273 S  SG  . CYS C 1 71 ? 26.364 -5.867  16.533 1.00 21.36 ? 363 CYS C SG  1 
ATOM   1274 N  N   . ARG C 1 72 ? 21.590 -7.323  16.566 1.00 21.48 ? 364 ARG C N   1 
ATOM   1275 C  CA  . ARG C 1 72 ? 20.136 -7.280  16.389 1.00 22.89 ? 364 ARG C CA  1 
ATOM   1276 C  C   . ARG C 1 72 ? 19.319 -7.417  17.676 1.00 24.52 ? 364 ARG C C   1 
ATOM   1277 O  O   . ARG C 1 72 ? 18.144 -7.100  17.714 1.00 25.61 ? 364 ARG C O   1 
ATOM   1278 C  CB  . ARG C 1 72 ? 19.703 -8.447  15.489 1.00 22.64 ? 364 ARG C CB  1 
ATOM   1279 C  CG  . ARG C 1 72 ? 20.274 -8.412  14.084 1.00 23.77 ? 364 ARG C CG  1 
ATOM   1280 C  CD  . ARG C 1 72 ? 19.727 -9.538  13.185 1.00 25.38 ? 364 ARG C CD  1 
ATOM   1281 N  NE  . ARG C 1 72 ? 19.638 -10.841 13.874 1.00 26.97 ? 364 ARG C NE  1 
ATOM   1282 C  CZ  . ARG C 1 72 ? 20.308 -11.946 13.585 1.00 28.12 ? 364 ARG C CZ  1 
ATOM   1283 N  NH1 . ARG C 1 72 ? 21.228 -11.988 12.658 1.00 28.88 ? 364 ARG C NH1 1 
ATOM   1284 N  NH2 . ARG C 1 72 ? 19.941 -13.061 14.203 1.00 30.94 ? 364 ARG C NH2 1 
ATOM   1285 N  N   . ASN C 1 73 ? 19.985 -7.758  18.782 1.00 26.49 ? 365 ASN C N   1 
ATOM   1286 C  CA  . ASN C 1 73 ? 19.359 -7.981  20.062 1.00 31.90 ? 365 ASN C CA  1 
ATOM   1287 C  C   . ASN C 1 73 ? 18.250 -9.016  19.923 1.00 35.78 ? 365 ASN C C   1 
ATOM   1288 O  O   . ASN C 1 73 ? 17.166 -8.797  20.426 1.00 36.77 ? 365 ASN C O   1 
ATOM   1289 C  CB  . ASN C 1 73 ? 18.901 -6.655  20.641 1.00 35.32 ? 365 ASN C CB  1 
ATOM   1290 C  CG  . ASN C 1 73 ? 18.785 -6.719  22.143 1.00 44.23 ? 365 ASN C CG  1 
ATOM   1291 O  OD1 . ASN C 1 73 ? 18.916 -7.789  22.748 1.00 48.71 ? 365 ASN C OD1 1 
ATOM   1292 N  ND2 . ASN C 1 73 ? 18.620 -5.568  22.752 1.00 48.19 ? 365 ASN C ND2 1 
ATOM   1293 N  N   . ASP C 1 74 ? 18.556 -10.160 19.296 1.00 37.96 ? 366 ASP C N   1 
ATOM   1294 C  CA  . ASP C 1 74 ? 17.583 -11.230 19.173 1.00 46.54 ? 366 ASP C CA  1 
ATOM   1295 C  C   . ASP C 1 74 ? 17.110 -11.648 20.571 1.00 53.89 ? 366 ASP C C   1 
ATOM   1296 O  O   . ASP C 1 74 ? 18.013 -11.736 21.436 1.00 54.88 ? 366 ASP C O   1 
ATOM   1297 C  CB  . ASP C 1 74 ? 18.167 -12.443 18.479 1.00 47.66 ? 366 ASP C CB  1 
ATOM   1298 C  CG  . ASP C 1 74 ? 18.396 -12.328 16.976 1.00 48.00 ? 366 ASP C CG  1 
ATOM   1299 O  OD1 . ASP C 1 74 ? 17.934 -11.344 16.352 1.00 44.59 ? 366 ASP C OD1 1 
ATOM   1300 O  OD2 . ASP C 1 74 ? 19.022 -13.256 16.430 1.00 50.62 ? 366 ASP C OD2 1 
ATOM   1301 N  N   . ARG D 2 3  ? 27.986 -6.131  -0.464 1.00 53.37 ? 87  ARG D N   1 
ATOM   1302 C  CA  . ARG D 2 3  ? 27.681 -7.582  -0.348 1.00 48.73 ? 87  ARG D CA  1 
ATOM   1303 C  C   . ARG D 2 3  ? 28.194 -8.093  0.994  1.00 42.33 ? 87  ARG D C   1 
ATOM   1304 O  O   . ARG D 2 3  ? 29.052 -7.437  1.578  1.00 42.69 ? 87  ARG D O   1 
ATOM   1305 C  CB  . ARG D 2 3  ? 28.285 -8.349  -1.526 1.00 48.49 ? 87  ARG D CB  1 
ATOM   1306 C  CG  . ARG D 2 3  ? 27.839 -7.736  -2.846 1.00 51.74 ? 87  ARG D CG  1 
ATOM   1307 C  CD  . ARG D 2 3  ? 26.351 -7.415  -2.860 1.00 55.64 ? 87  ARG D CD  1 
ATOM   1308 N  NE  . ARG D 2 3  ? 25.570 -8.654  -2.824 1.00 54.80 ? 87  ARG D NE  1 
ATOM   1309 C  CZ  . ARG D 2 3  ? 24.250 -8.762  -2.730 1.00 57.06 ? 87  ARG D CZ  1 
ATOM   1310 N  NH1 . ARG D 2 3  ? 23.689 -9.943  -2.896 1.00 58.17 ? 87  ARG D NH1 1 
ATOM   1311 N  NH2 . ARG D 2 3  ? 23.478 -7.713  -2.513 1.00 59.33 ? 87  ARG D NH2 1 
ATOM   1312 N  N   . VAL D 2 4  ? 27.694 -9.270  1.428  1.00 39.48 ? 88  VAL D N   1 
ATOM   1313 C  CA  . VAL D 2 4  ? 27.970 -9.805  2.773  1.00 31.94 ? 88  VAL D CA  1 
ATOM   1314 C  C   . VAL D 2 4  ? 29.415 -10.255 2.803  1.00 30.08 ? 88  VAL D C   1 
ATOM   1315 O  O   . VAL D 2 4  ? 29.813 -11.138 2.046  1.00 35.13 ? 88  VAL D O   1 
ATOM   1316 C  CB  . VAL D 2 4  ? 27.068 -10.946 3.291  1.00 30.79 ? 88  VAL D CB  1 
ATOM   1317 C  CG1 . VAL D 2 4  ? 27.602 -11.616 4.539  1.00 30.54 ? 88  VAL D CG1 1 
ATOM   1318 C  CG2 . VAL D 2 4  ? 25.653 -10.482 3.580  1.00 31.73 ? 88  VAL D CG2 1 
ATOM   1319 N  N   . ARG D 2 5  ? 30.182 -9.666  3.705  1.00 26.43 ? 89  ARG D N   1 
ATOM   1320 C  CA  . ARG D 2 5  ? 31.590 -9.932  3.815  1.00 26.44 ? 89  ARG D CA  1 
ATOM   1321 C  C   . ARG D 2 5  ? 31.800 -11.209 4.609  1.00 23.64 ? 89  ARG D C   1 
ATOM   1322 O  O   . ARG D 2 5  ? 31.085 -11.498 5.569  1.00 23.60 ? 89  ARG D O   1 
ATOM   1323 C  CB  . ARG D 2 5  ? 32.319 -8.796  4.550  1.00 28.20 ? 89  ARG D CB  1 
ATOM   1324 C  CG  . ARG D 2 5  ? 32.157 -7.415  3.948  1.00 32.26 ? 89  ARG D CG  1 
ATOM   1325 C  CD  . ARG D 2 5  ? 32.674 -6.262  4.848  1.00 33.54 ? 89  ARG D CD  1 
ATOM   1326 N  NE  . ARG D 2 5  ? 32.095 -6.162  6.202  1.00 31.81 ? 89  ARG D NE  1 
ATOM   1327 C  CZ  . ARG D 2 5  ? 32.733 -6.233  7.364  1.00 31.43 ? 89  ARG D CZ  1 
ATOM   1328 N  NH1 . ARG D 2 5  ? 34.047 -6.442  7.450  1.00 32.64 ? 89  ARG D NH1 1 
ATOM   1329 N  NH2 . ARG D 2 5  ? 32.032 -6.171  8.489  1.00 31.14 ? 89  ARG D NH2 1 
ATOM   1330 N  N   . THR D 2 6  ? 32.781 -11.979 4.146  1.00 23.02 ? 90  THR D N   1 
ATOM   1331 C  CA  . THR D 2 6  ? 33.281 -13.125 4.901  1.00 23.80 ? 90  THR D CA  1 
ATOM   1332 C  C   . THR D 2 6  ? 34.650 -12.823 5.501  1.00 23.08 ? 90  THR D C   1 
ATOM   1333 O  O   . THR D 2 6  ? 35.362 -11.914 5.083  1.00 25.08 ? 90  THR D O   1 
ATOM   1334 C  CB  . THR D 2 6  ? 33.359 -14.357 4.013  1.00 25.46 ? 90  THR D CB  1 
ATOM   1335 O  OG1 . THR D 2 6  ? 34.351 -14.124 3.023  1.00 27.28 ? 90  THR D OG1 1 
ATOM   1336 C  CG2 . THR D 2 6  ? 32.000 -14.771 3.487  1.00 26.77 ? 90  THR D CG2 1 
ATOM   1337 N  N   . LEU D 2 7  ? 35.021 -13.636 6.485  1.00 23.27 ? 91  LEU D N   1 
ATOM   1338 C  CA  . LEU D 2 7  ? 36.354 -13.498 7.066  1.00 23.41 ? 91  LEU D CA  1 
ATOM   1339 C  C   . LEU D 2 7  ? 37.407 -13.689 5.967  1.00 23.82 ? 91  LEU D C   1 
ATOM   1340 O  O   . LEU D 2 7  ? 38.377 -12.949 5.902  1.00 25.13 ? 91  LEU D O   1 
ATOM   1341 C  CB  . LEU D 2 7  ? 36.545 -14.420 8.245  1.00 24.14 ? 91  LEU D CB  1 
ATOM   1342 C  CG  . LEU D 2 7  ? 37.884 -14.302 8.967  1.00 25.20 ? 91  LEU D CG  1 
ATOM   1343 C  CD1 . LEU D 2 7  ? 38.065 -12.878 9.532  1.00 24.87 ? 91  LEU D CD1 1 
ATOM   1344 C  CD2 . LEU D 2 7  ? 37.940 -15.392 10.046 1.00 25.59 ? 91  LEU D CD2 1 
ATOM   1345 N  N   . LEU D 2 8  ? 37.178 -14.640 5.069  1.00 24.05 ? 92  LEU D N   1 
ATOM   1346 C  CA  . LEU D 2 8  ? 38.129 -14.844 3.981  1.00 25.43 ? 92  LEU D CA  1 
ATOM   1347 C  C   . LEU D 2 8  ? 38.261 -13.570 3.148  1.00 27.46 ? 92  LEU D C   1 
ATOM   1348 O  O   . LEU D 2 8  ? 39.363 -13.192 2.790  1.00 30.79 ? 92  LEU D O   1 
ATOM   1349 C  CB  . LEU D 2 8  ? 37.748 -16.024 3.089  1.00 26.60 ? 92  LEU D CB  1 
ATOM   1350 C  CG  . LEU D 2 8  ? 38.752 -16.412 2.003  1.00 29.27 ? 92  LEU D CG  1 
ATOM   1351 C  CD1 . LEU D 2 8  ? 40.053 -16.865 2.662  1.00 31.78 ? 92  LEU D CD1 1 
ATOM   1352 C  CD2 . LEU D 2 8  ? 38.118 -17.496 1.153  1.00 31.21 ? 92  LEU D CD2 1 
ATOM   1353 N  N   . SER D 2 9  ? 37.140 -12.880 2.889  1.00 26.77 ? 93  SER D N   1 
ATOM   1354 C  CA  . SER D 2 9  ? 37.226 -11.686 2.078  1.00 27.66 ? 93  SER D CA  1 
ATOM   1355 C  C   . SER D 2 9  ? 38.108 -10.635 2.752  1.00 27.46 ? 93  SER D C   1 
ATOM   1356 O  O   . SER D 2 9  ? 38.829 -9.920  2.061  1.00 31.03 ? 93  SER D O   1 
ATOM   1357 C  CB  . SER D 2 9  ? 35.850 -11.161 1.716  1.00 29.63 ? 93  SER D CB  1 
ATOM   1358 O  OG  . SER D 2 9  ? 35.254 -10.490 2.809  1.00 30.52 ? 93  SER D OG  1 
ATOM   1359 N  N   . VAL D 2 10 ? 38.062 -10.534 4.091  1.00 26.57 ? 94  VAL D N   1 
ATOM   1360 C  CA  . VAL D 2 10 ? 38.900 -9.609  4.834  1.00 28.66 ? 94  VAL D CA  1 
ATOM   1361 C  C   . VAL D 2 10 ? 40.368 -10.048 4.800  1.00 30.29 ? 94  VAL D C   1 
ATOM   1362 O  O   . VAL D 2 10 ? 41.258 -9.261  4.480  1.00 31.58 ? 94  VAL D O   1 
ATOM   1363 C  CB  . VAL D 2 10 ? 38.402 -9.472  6.294  1.00 29.88 ? 94  VAL D CB  1 
ATOM   1364 C  CG1 . VAL D 2 10 ? 39.372 -8.676  7.165  1.00 30.54 ? 94  VAL D CG1 1 
ATOM   1365 C  CG2 . VAL D 2 10 ? 37.010 -8.867  6.377  1.00 30.55 ? 94  VAL D CG2 1 
ATOM   1366 N  N   . LEU D 2 11 ? 40.631 -11.317 5.108  1.00 28.10 ? 95  LEU D N   1 
ATOM   1367 C  CA  . LEU D 2 11 ? 41.988 -11.825 5.202  1.00 31.55 ? 95  LEU D CA  1 
ATOM   1368 C  C   . LEU D 2 11 ? 42.721 -11.727 3.874  1.00 33.23 ? 95  LEU D C   1 
ATOM   1369 O  O   . LEU D 2 11 ? 43.929 -11.502 3.882  1.00 37.86 ? 95  LEU D O   1 
ATOM   1370 C  CB  . LEU D 2 11 ? 41.967 -13.264 5.710  1.00 31.36 ? 95  LEU D CB  1 
ATOM   1371 C  CG  . LEU D 2 11 ? 41.464 -13.432 7.150  1.00 31.33 ? 95  LEU D CG  1 
ATOM   1372 C  CD1 . LEU D 2 11 ? 41.477 -14.871 7.549  1.00 31.25 ? 95  LEU D CD1 1 
ATOM   1373 C  CD2 . LEU D 2 11 ? 42.257 -12.605 8.147  1.00 32.03 ? 95  LEU D CD2 1 
ATOM   1374 N  N   . LYS D 2 12 ? 42.018 -11.925 2.756  1.00 31.63 ? 96  LYS D N   1 
ATOM   1375 C  CA  . LYS D 2 12 ? 42.702 -11.948 1.472  1.00 37.41 ? 96  LYS D CA  1 
ATOM   1376 C  C   . LYS D 2 12 ? 42.914 -10.543 0.926  1.00 37.91 ? 96  LYS D C   1 
ATOM   1377 O  O   . LYS D 2 12 ? 43.528 -10.404 -0.122 1.00 41.17 ? 96  LYS D O   1 
ATOM   1378 C  CB  . LYS D 2 12 ? 41.879 -12.658 0.398  1.00 39.76 ? 96  LYS D CB  1 
ATOM   1379 C  CG  . LYS D 2 12 ? 41.807 -14.156 0.478  1.00 44.63 ? 96  LYS D CG  1 
ATOM   1380 C  CD  . LYS D 2 12 ? 41.033 -14.726 -0.709 1.00 54.13 ? 96  LYS D CD  1 
ATOM   1381 C  CE  . LYS D 2 12 ? 39.733 -13.981 -0.956 1.00 57.92 ? 96  LYS D CE  1 
ATOM   1382 N  NZ  . LYS D 2 12 ? 38.753 -14.723 -1.760 1.00 60.64 ? 96  LYS D NZ  1 
ATOM   1383 N  N   . ASP D 2 13 ? 42.339 -9.525  1.575  1.00 37.47 ? 97  ASP D N   1 
ATOM   1384 C  CA  . ASP D 2 13 ? 42.458 -8.158  1.106  1.00 39.94 ? 97  ASP D CA  1 
ATOM   1385 C  C   . ASP D 2 13 ? 43.346 -7.405  2.085  1.00 40.01 ? 97  ASP D C   1 
ATOM   1386 O  O   . ASP D 2 13 ? 42.886 -7.045  3.166  1.00 37.99 ? 97  ASP D O   1 
ATOM   1387 C  CB  . ASP D 2 13 ? 41.079 -7.542  0.939  1.00 40.12 ? 97  ASP D CB  1 
ATOM   1388 C  CG  . ASP D 2 13 ? 41.049 -6.066  0.567  1.00 44.10 ? 97  ASP D CG  1 
ATOM   1389 O  OD1 . ASP D 2 13 ? 42.113 -5.403  0.611  1.00 44.82 ? 97  ASP D OD1 1 
ATOM   1390 O  OD2 . ASP D 2 13 ? 39.939 -5.594  0.262  1.00 46.21 ? 97  ASP D OD2 1 
ATOM   1391 N  N   . PRO D 2 14 ? 44.632 -7.138  1.744  1.00 43.34 ? 98  PRO D N   1 
ATOM   1392 C  CA  . PRO D 2 14 ? 45.567 -6.510  2.680  1.00 43.91 ? 98  PRO D CA  1 
ATOM   1393 C  C   . PRO D 2 14 ? 45.052 -5.237  3.334  1.00 42.41 ? 98  PRO D C   1 
ATOM   1394 O  O   . PRO D 2 14 ? 45.380 -4.981  4.484  1.00 42.84 ? 98  PRO D O   1 
ATOM   1395 C  CB  . PRO D 2 14 ? 46.822 -6.245  1.837  1.00 48.13 ? 98  PRO D CB  1 
ATOM   1396 C  CG  . PRO D 2 14 ? 46.747 -7.278  0.739  1.00 49.32 ? 98  PRO D CG  1 
ATOM   1397 C  CD  . PRO D 2 14 ? 45.266 -7.451  0.453  1.00 46.94 ? 98  PRO D CD  1 
ATOM   1398 N  N   . ILE D 2 15 ? 44.274 -4.438  2.583  1.00 43.33 ? 99  ILE D N   1 
ATOM   1399 C  CA  . ILE D 2 15 ? 43.730 -3.191  3.097  1.00 43.58 ? 99  ILE D CA  1 
ATOM   1400 C  C   . ILE D 2 15 ? 42.636 -3.475  4.132  1.00 39.45 ? 99  ILE D C   1 
ATOM   1401 O  O   . ILE D 2 15 ? 42.625 -2.879  5.202  1.00 37.55 ? 99  ILE D O   1 
ATOM   1402 C  CB  . ILE D 2 15 ? 43.238 -2.295  1.939  1.00 47.73 ? 99  ILE D CB  1 
ATOM   1403 C  CG1 . ILE D 2 15 ? 44.373 -1.943  0.980  1.00 53.91 ? 99  ILE D CG1 1 
ATOM   1404 C  CG2 . ILE D 2 15 ? 42.575 -1.034  2.489  1.00 49.28 ? 99  ILE D CG2 1 
ATOM   1405 C  CD1 . ILE D 2 15 ? 45.453 -1.073  1.603  1.00 57.02 ? 99  ILE D CD1 1 
ATOM   1406 N  N   . ALA D 2 16 ? 41.701 -4.356  3.790  1.00 38.10 ? 100 ALA D N   1 
ATOM   1407 C  CA  . ALA D 2 16 ? 40.610 -4.713  4.683  1.00 35.41 ? 100 ALA D CA  1 
ATOM   1408 C  C   . ALA D 2 16 ? 41.167 -5.344  5.955  1.00 34.22 ? 100 ALA D C   1 
ATOM   1409 O  O   . ALA D 2 16 ? 40.664 -5.077  7.049  1.00 32.46 ? 100 ALA D O   1 
ATOM   1410 C  CB  . ALA D 2 16 ? 39.665 -5.654  3.967  1.00 34.80 ? 100 ALA D CB  1 
ATOM   1411 N  N   . LYS D 2 17 ? 42.182 -6.195  5.796  1.00 35.39 ? 101 LYS D N   1 
ATOM   1412 C  CA  . LYS D 2 17 ? 42.807 -6.861  6.932  1.00 33.41 ? 101 LYS D CA  1 
ATOM   1413 C  C   . LYS D 2 17 ? 43.428 -5.829  7.880  1.00 34.07 ? 101 LYS D C   1 
ATOM   1414 O  O   . LYS D 2 17 ? 43.221 -5.886  9.098  1.00 32.38 ? 101 LYS D O   1 
ATOM   1415 C  CB  . LYS D 2 17 ? 43.799 -7.942  6.499  1.00 35.11 ? 101 LYS D CB  1 
ATOM   1416 C  CG  . LYS D 2 17 ? 44.347 -8.726  7.707  1.00 37.17 ? 101 LYS D CG  1 
ATOM   1417 C  CD  . LYS D 2 17 ? 45.313 -9.820  7.313  1.00 41.56 ? 101 LYS D CD  1 
ATOM   1418 C  CE  . LYS D 2 17 ? 45.684 -10.661 8.509  1.00 42.78 ? 101 LYS D CE  1 
ATOM   1419 N  NZ  . LYS D 2 17 ? 46.754 -11.583 8.129  1.00 45.89 ? 101 LYS D NZ  1 
ATOM   1420 N  N   . MET D 2 18 ? 44.200 -4.879  7.340  1.00 35.98 ? 102 MET D N   1 
ATOM   1421 C  CA  . MET D 2 18 ? 44.837 -3.895  8.204  1.00 38.46 ? 102 MET D CA  1 
ATOM   1422 C  C   . MET D 2 18 ? 43.783 -3.054  8.928  1.00 36.39 ? 102 MET D C   1 
ATOM   1423 O  O   . MET D 2 18 ? 43.972 -2.711  10.096 1.00 38.17 ? 102 MET D O   1 
ATOM   1424 C  CB  . MET D 2 18 ? 45.817 -2.988  7.442  1.00 44.92 ? 102 MET D CB  1 
ATOM   1425 C  CG  . MET D 2 18 ? 46.556 -1.999  8.341  1.00 50.80 ? 102 MET D CG  1 
ATOM   1426 S  SD  . MET D 2 18 ? 47.469 -2.716  9.732  1.00 61.08 ? 102 MET D SD  1 
ATOM   1427 C  CE  . MET D 2 18 ? 48.709 -3.731  8.911  1.00 62.56 ? 102 MET D CE  1 
ATOM   1428 N  N   . ARG D 2 19 ? 42.668 -2.731  8.264  1.00 35.69 ? 103 ARG D N   1 
ATOM   1429 C  CA  . ARG D 2 19 ? 41.643 -1.895  8.872  1.00 35.80 ? 103 ARG D CA  1 
ATOM   1430 C  C   . ARG D 2 19 ? 41.022 -2.624  10.074 1.00 33.73 ? 103 ARG D C   1 
ATOM   1431 O  O   . ARG D 2 19 ? 40.771 -2.022  11.123 1.00 35.81 ? 103 ARG D O   1 
ATOM   1432 C  CB  . ARG D 2 19 ? 40.621 -1.455  7.816  1.00 38.79 ? 103 ARG D CB  1 
ATOM   1433 C  CG  . ARG D 2 19 ? 41.161 -0.381  6.875  1.00 43.26 ? 103 ARG D CG  1 
ATOM   1434 C  CD  . ARG D 2 19 ? 40.190 -0.048  5.735  1.00 46.23 ? 103 ARG D CD  1 
ATOM   1435 N  NE  . ARG D 2 19 ? 40.827 0.872   4.783  1.00 52.86 ? 103 ARG D NE  1 
ATOM   1436 C  CZ  . ARG D 2 19 ? 40.282 1.342   3.669  1.00 54.65 ? 103 ARG D CZ  1 
ATOM   1437 N  NH1 . ARG D 2 19 ? 39.096 0.920   3.278  1.00 55.43 ? 103 ARG D NH1 1 
ATOM   1438 N  NH2 . ARG D 2 19 ? 40.939 2.217   2.926  1.00 61.28 ? 103 ARG D NH2 1 
ATOM   1439 N  N   . ARG D 2 20 ? 40.820 -3.923  9.910  1.00 32.78 ? 104 ARG D N   1 
ATOM   1440 C  CA  . ARG D 2 20 ? 40.261 -4.764  10.971 1.00 29.81 ? 104 ARG D CA  1 
ATOM   1441 C  C   . ARG D 2 20 ? 41.221 -4.830  12.160 1.00 30.96 ? 104 ARG D C   1 
ATOM   1442 O  O   . ARG D 2 20 ? 40.789 -4.637  13.284 1.00 32.72 ? 104 ARG D O   1 
ATOM   1443 C  CB  . ARG D 2 20 ? 39.842 -6.139  10.434 1.00 26.72 ? 104 ARG D CB  1 
ATOM   1444 C  CG  . ARG D 2 20 ? 39.121 -6.917  11.527 1.00 25.26 ? 104 ARG D CG  1 
ATOM   1445 C  CD  . ARG D 2 20 ? 38.255 -8.016  10.946 1.00 23.57 ? 104 ARG D CD  1 
ATOM   1446 N  NE  . ARG D 2 20 ? 37.358 -8.584  11.960 1.00 24.47 ? 104 ARG D NE  1 
ATOM   1447 C  CZ  . ARG D 2 20 ? 37.573 -9.705  12.653 1.00 22.36 ? 104 ARG D CZ  1 
ATOM   1448 N  NH1 . ARG D 2 20 ? 38.671 -10.430 12.516 1.00 22.35 ? 104 ARG D NH1 1 
ATOM   1449 N  NH2 . ARG D 2 20 ? 36.651 -10.164 13.467 1.00 21.45 ? 104 ARG D NH2 1 
ATOM   1450 N  N   . LEU D 2 21 ? 42.512 -5.058  11.910 1.00 32.95 ? 105 LEU D N   1 
ATOM   1451 C  CA  . LEU D 2 21 ? 43.518 -5.078  12.961 1.00 34.11 ? 105 LEU D CA  1 
ATOM   1452 C  C   . LEU D 2 21 ? 43.486 -3.758  13.721 1.00 34.78 ? 105 LEU D C   1 
ATOM   1453 O  O   . LEU D 2 21 ? 43.570 -3.697  14.941 1.00 33.30 ? 105 LEU D O   1 
ATOM   1454 C  CB  . LEU D 2 21 ? 44.894 -5.299  12.340 1.00 37.29 ? 105 LEU D CB  1 
ATOM   1455 C  CG  . LEU D 2 21 ? 45.139 -6.677  11.731 1.00 37.58 ? 105 LEU D CG  1 
ATOM   1456 C  CD1 . LEU D 2 21 ? 46.490 -6.747  11.087 1.00 40.07 ? 105 LEU D CD1 1 
ATOM   1457 C  CD2 . LEU D 2 21 ? 44.983 -7.722  12.830 1.00 36.36 ? 105 LEU D CD2 1 
ATOM   1458 N  N   . VAL D 2 22 ? 43.460 -2.653  12.981 1.00 36.51 ? 106 VAL D N   1 
ATOM   1459 C  CA  . VAL D 2 22 ? 43.529 -1.373  13.649 1.00 37.62 ? 106 VAL D CA  1 
ATOM   1460 C  C   . VAL D 2 22 ? 42.298 -1.169  14.529 1.00 35.01 ? 106 VAL D C   1 
ATOM   1461 O  O   . VAL D 2 22 ? 42.417 -0.646  15.634 1.00 36.05 ? 106 VAL D O   1 
ATOM   1462 C  CB  . VAL D 2 22 ? 43.745 -0.242  12.625 1.00 41.03 ? 106 VAL D CB  1 
ATOM   1463 C  CG1 . VAL D 2 22 ? 43.360 1.124   13.177 1.00 44.99 ? 106 VAL D CG1 1 
ATOM   1464 C  CG2 . VAL D 2 22 ? 45.187 -0.260  12.141 1.00 43.65 ? 106 VAL D CG2 1 
ATOM   1465 N  N   . ARG D 2 23 ? 41.125 -1.606  14.058 1.00 34.16 ? 107 ARG D N   1 
ATOM   1466 C  CA  . ARG D 2 23 ? 39.898 -1.495  14.830 1.00 35.04 ? 107 ARG D CA  1 
ATOM   1467 C  C   . ARG D 2 23 ? 39.986 -2.332  16.111 1.00 33.68 ? 107 ARG D C   1 
ATOM   1468 O  O   . ARG D 2 23 ? 39.614 -1.872  17.194 1.00 34.30 ? 107 ARG D O   1 
ATOM   1469 C  CB  . ARG D 2 23 ? 38.724 -1.981  13.978 1.00 37.11 ? 107 ARG D CB  1 
ATOM   1470 C  CG  . ARG D 2 23 ? 37.376 -1.676  14.607 1.00 41.54 ? 107 ARG D CG  1 
ATOM   1471 C  CD  . ARG D 2 23 ? 36.222 -1.839  13.627 1.00 46.34 ? 107 ARG D CD  1 
ATOM   1472 N  NE  . ARG D 2 23 ? 34.956 -1.733  14.362 1.00 51.03 ? 107 ARG D NE  1 
ATOM   1473 C  CZ  . ARG D 2 23 ? 33.735 -1.956  13.867 1.00 53.36 ? 107 ARG D CZ  1 
ATOM   1474 N  NH1 . ARG D 2 23 ? 33.548 -2.125  12.568 1.00 55.28 ? 107 ARG D NH1 1 
ATOM   1475 N  NH2 . ARG D 2 23 ? 32.702 -2.004  14.691 1.00 53.95 ? 107 ARG D NH2 1 
ATOM   1476 N  N   . ILE D 2 24 ? 40.465 -3.580  15.987 1.00 30.89 ? 108 ILE D N   1 
ATOM   1477 C  CA  . ILE D 2 24 ? 40.547 -4.456  17.152 1.00 30.81 ? 108 ILE D CA  1 
ATOM   1478 C  C   . ILE D 2 24 ? 41.513 -3.872  18.184 1.00 32.32 ? 108 ILE D C   1 
ATOM   1479 O  O   . ILE D 2 24 ? 41.236 -3.885  19.386 1.00 32.69 ? 108 ILE D O   1 
ATOM   1480 C  CB  . ILE D 2 24 ? 40.935 -5.888  16.747 1.00 30.08 ? 108 ILE D CB  1 
ATOM   1481 C  CG1 . ILE D 2 24 ? 39.784 -6.555  15.949 1.00 28.00 ? 108 ILE D CG1 1 
ATOM   1482 C  CG2 . ILE D 2 24 ? 41.347 -6.691  17.982 1.00 29.48 ? 108 ILE D CG2 1 
ATOM   1483 C  CD1 . ILE D 2 24 ? 40.176 -7.831  15.210 1.00 28.35 ? 108 ILE D CD1 1 
ATOM   1484 N  N   . GLU D 2 25 ? 42.674 -3.406  17.716 1.00 34.14 ? 109 GLU D N   1 
ATOM   1485 C  CA  . GLU D 2 25 ? 43.658 -2.803  18.600 1.00 37.36 ? 109 GLU D CA  1 
ATOM   1486 C  C   . GLU D 2 25 ? 43.044 -1.626  19.365 1.00 39.51 ? 109 GLU D C   1 
ATOM   1487 O  O   . GLU D 2 25 ? 43.221 -1.498  20.579 1.00 38.44 ? 109 GLU D O   1 
ATOM   1488 C  CB  . GLU D 2 25 ? 44.861 -2.343  17.783 1.00 41.91 ? 109 GLU D CB  1 
ATOM   1489 C  CG  . GLU D 2 25 ? 45.898 -1.614  18.628 1.00 47.12 ? 109 GLU D CG  1 
ATOM   1490 C  CD  . GLU D 2 25 ? 47.122 -1.229  17.827 1.00 52.07 ? 109 GLU D CD  1 
ATOM   1491 O  OE1 . GLU D 2 25 ? 46.961 -0.432  16.882 1.00 55.85 ? 109 GLU D OE1 1 
ATOM   1492 O  OE2 . GLU D 2 25 ? 48.222 -1.736  18.138 1.00 53.72 ? 109 GLU D OE2 1 
ATOM   1493 N  N   . GLN D 2 26 ? 42.315 -0.764  18.644 1.00 41.10 ? 110 GLN D N   1 
ATOM   1494 C  CA  . GLN D 2 26 ? 41.667 0.370   19.277 1.00 44.92 ? 110 GLN D CA  1 
ATOM   1495 C  C   . GLN D 2 26 ? 40.720 -0.103  20.376 1.00 42.39 ? 110 GLN D C   1 
ATOM   1496 O  O   . GLN D 2 26 ? 40.714 0.468   21.465 1.00 42.48 ? 110 GLN D O   1 
ATOM   1497 C  CB  . GLN D 2 26 ? 40.904 1.243   18.276 1.00 49.47 ? 110 GLN D CB  1 
ATOM   1498 C  CG  . GLN D 2 26 ? 41.793 2.083   17.366 1.00 56.48 ? 110 GLN D CG  1 
ATOM   1499 C  CD  . GLN D 2 26 ? 42.639 3.094   18.116 1.00 68.52 ? 110 GLN D CD  1 
ATOM   1500 O  OE1 . GLN D 2 26 ? 42.156 3.830   18.989 1.00 74.34 ? 110 GLN D OE1 1 
ATOM   1501 N  NE2 . GLN D 2 26 ? 43.924 3.138   17.788 1.00 73.84 ? 110 GLN D NE2 1 
ATOM   1502 N  N   . ARG D 2 27 ? 39.908 -1.121  20.074 1.00 41.06 ? 111 ARG D N   1 
ATOM   1503 C  CA  . ARG D 2 27 ? 38.915 -1.614  21.016 1.00 41.86 ? 111 ARG D CA  1 
ATOM   1504 C  C   . ARG D 2 27 ? 39.624 -2.228  22.223 1.00 39.86 ? 111 ARG D C   1 
ATOM   1505 O  O   . ARG D 2 27 ? 39.212 -2.029  23.359 1.00 42.02 ? 111 ARG D O   1 
ATOM   1506 C  CB  . ARG D 2 27 ? 37.916 -2.549  20.324 1.00 43.55 ? 111 ARG D CB  1 
ATOM   1507 C  CG  . ARG D 2 27 ? 36.852 -1.780  19.547 1.00 50.93 ? 111 ARG D CG  1 
ATOM   1508 C  CD  . ARG D 2 27 ? 35.689 -2.625  19.027 1.00 54.00 ? 111 ARG D CD  1 
ATOM   1509 N  NE  . ARG D 2 27 ? 36.035 -3.437  17.854 1.00 58.04 ? 111 ARG D NE  1 
ATOM   1510 C  CZ  . ARG D 2 27 ? 35.207 -4.261  17.196 1.00 59.73 ? 111 ARG D CZ  1 
ATOM   1511 N  NH1 . ARG D 2 27 ? 33.993 -4.527  17.680 1.00 58.20 ? 111 ARG D NH1 1 
ATOM   1512 N  NH2 . ARG D 2 27 ? 35.609 -4.829  16.065 1.00 52.98 ? 111 ARG D NH2 1 
ATOM   1513 N  N   . GLN D 2 28 ? 40.758 -2.891  21.997 1.00 36.81 ? 112 GLN D N   1 
ATOM   1514 C  CA  . GLN D 2 28 ? 41.477 -3.533  23.089 1.00 36.78 ? 112 GLN D CA  1 
ATOM   1515 C  C   . GLN D 2 28 ? 42.215 -2.545  23.989 1.00 41.10 ? 112 GLN D C   1 
ATOM   1516 O  O   . GLN D 2 28 ? 42.462 -2.854  25.155 1.00 42.62 ? 112 GLN D O   1 
ATOM   1517 C  CB  . GLN D 2 28 ? 42.388 -4.594  22.488 1.00 34.95 ? 112 GLN D CB  1 
ATOM   1518 C  CG  . GLN D 2 28 ? 41.588 -5.798  22.019 1.00 33.53 ? 112 GLN D CG  1 
ATOM   1519 C  CD  . GLN D 2 28 ? 42.445 -6.926  21.472 1.00 33.74 ? 112 GLN D CD  1 
ATOM   1520 O  OE1 . GLN D 2 28 ? 43.661 -6.784  21.284 1.00 32.86 ? 112 GLN D OE1 1 
ATOM   1521 N  NE2 . GLN D 2 28 ? 41.802 -8.070  21.287 1.00 31.59 ? 112 GLN D NE2 1 
ATOM   1522 N  N   . LYS D 2 29 ? 42.605 -1.389  23.444 1.00 42.95 ? 113 LYS D N   1 
ATOM   1523 C  CA  . LYS D 2 29 ? 43.099 -0.299  24.267 1.00 48.86 ? 113 LYS D CA  1 
ATOM   1524 C  C   . LYS D 2 29 ? 41.891 0.346   24.972 1.00 51.63 ? 113 LYS D C   1 
ATOM   1525 O  O   . LYS D 2 29 ? 42.106 0.788   26.125 1.00 60.16 ? 113 LYS D O   1 
ATOM   1526 C  CB  . LYS D 2 29 ? 43.863 0.777   23.483 1.00 51.44 ? 113 LYS D CB  1 
ATOM   1527 C  CG  . LYS D 2 29 ? 44.976 0.293   22.571 1.00 52.42 ? 113 LYS D CG  1 
ATOM   1528 C  CD  . LYS D 2 29 ? 45.934 -0.704  23.210 1.00 55.88 ? 113 LYS D CD  1 
ATOM   1529 C  CE  . LYS D 2 29 ? 47.162 -0.949  22.380 1.00 57.86 ? 113 LYS D CE  1 
ATOM   1530 N  NZ  . LYS D 2 29 ? 48.309 -1.268  23.236 1.00 61.30 ? 113 LYS D NZ  1 
HETATM 1531 S  S   . SCN E 3 .  ? 3.841  -9.462  6.738  1.00 34.37 ? 401 SCN A S   1 
HETATM 1532 C  C   . SCN E 3 .  ? 5.159  -8.880  7.399  1.00 33.19 ? 401 SCN A C   1 
HETATM 1533 N  N   . SCN E 3 .  ? 6.123  -8.511  7.850  1.00 27.93 ? 401 SCN A N   1 
HETATM 1534 S  S   . SCN F 3 .  ? 6.693  3.862   -0.129 1.00 31.47 ? 402 SCN A S   1 
HETATM 1535 C  C   . SCN F 3 .  ? 7.846  4.716   0.662  1.00 21.01 ? 402 SCN A C   1 
HETATM 1536 N  N   . SCN F 3 .  ? 8.705  5.238   1.260  1.00 24.76 ? 402 SCN A N   1 
HETATM 1537 S  S   . SCN G 3 .  ? 7.721  -6.155  12.877 1.00 29.06 ? 403 SCN A S   1 
HETATM 1538 C  C   . SCN G 3 .  ? 7.887  -6.793  11.410 1.00 28.05 ? 403 SCN A C   1 
HETATM 1539 N  N   . SCN G 3 .  ? 7.935  -7.234  10.347 1.00 27.51 ? 403 SCN A N   1 
HETATM 1540 C  C1  . GOL H 4 .  ? 11.795 -3.357  1.168  1.00 37.19 ? 404 GOL A C1  1 
HETATM 1541 O  O1  . GOL H 4 .  ? 10.703 -2.865  0.406  1.00 48.12 ? 404 GOL A O1  1 
HETATM 1542 C  C2  . GOL H 4 .  ? 13.049 -3.329  0.334  1.00 41.52 ? 404 GOL A C2  1 
HETATM 1543 O  O2  . GOL H 4 .  ? 12.965 -2.294  -0.658 1.00 44.14 ? 404 GOL A O2  1 
HETATM 1544 C  C3  . GOL H 4 .  ? 14.319 -3.195  1.147  1.00 32.95 ? 404 GOL A C3  1 
HETATM 1545 O  O3  . GOL H 4 .  ? 15.363 -2.763  0.272  1.00 43.43 ? 404 GOL A O3  1 
HETATM 1546 ZN ZN  . ZN  I 5 .  ? 10.354 -7.381  5.280  1.00 21.97 ? 405 ZN  A ZN  1 
HETATM 1547 ZN ZN  . ZN  J 5 .  ? 7.965  -8.096  8.550  1.00 26.16 ? 406 ZN  A ZN  1 
HETATM 1548 ZN ZN  . ZN  K 5 .  ? 19.451 2.400   9.232  1.00 21.16 ? 407 ZN  A ZN  1 
HETATM 1549 ZN ZN  . ZN  L 5 .  ? 6.490  8.323   8.401  1.00 23.21 ? 408 ZN  A ZN  1 
HETATM 1550 ZN ZN  . ZN  M 5 .  ? 10.190 6.012   2.208  1.00 22.15 ? 409 ZN  A ZN  1 
HETATM 1551 S  S   . SCN N 3 .  ? 45.017 -6.147  17.044 1.00 34.60 ? 401 SCN C S   1 
HETATM 1552 C  C   . SCN N 3 .  ? 44.347 -7.459  16.447 1.00 27.13 ? 401 SCN C C   1 
HETATM 1553 N  N   . SCN N 3 .  ? 43.940 -8.449  16.011 1.00 29.43 ? 401 SCN C N   1 
HETATM 1554 S  S   . SCN O 3 .  ? 30.425 -10.090 23.329 1.00 38.27 ? 402 SCN C S   1 
HETATM 1555 C  C   . SCN O 3 .  ? 31.211 -9.020  24.067 1.00 34.90 ? 402 SCN C C   1 
HETATM 1556 N  N   . SCN O 3 .  ? 31.787 -8.248  24.515 1.00 20.06 ? 402 SCN C N   1 
HETATM 1557 ZN ZN  . ZN  P 5 .  ? 43.530 -10.241 15.325 1.00 27.12 ? 403 ZN  C ZN  1 
HETATM 1558 ZN ZN  . ZN  Q 5 .  ? 42.696 -12.539 18.643 1.00 22.81 ? 404 ZN  C ZN  1 
HETATM 1559 ZN ZN  . ZN  R 5 .  ? 32.383 -21.035 14.837 1.00 21.72 ? 405 ZN  C ZN  1 
HETATM 1560 ZN ZN  . ZN  S 5 .  ? 27.396 -7.633  15.566 1.00 20.77 ? 406 ZN  C ZN  1 
HETATM 1561 ZN ZN  . ZN  T 5 .  ? 29.503 -11.794 22.011 1.00 24.02 ? 407 ZN  C ZN  1 
HETATM 1562 S  S   . SCN U 3 .  ? 41.679 -9.902  10.974 1.00 29.37 ? 201 SCN D S   1 
HETATM 1563 C  C   . SCN U 3 .  ? 42.312 -10.055 12.414 1.00 32.15 ? 201 SCN D C   1 
HETATM 1564 N  N   . SCN U 3 .  ? 42.725 -10.154 13.448 1.00 28.53 ? 201 SCN D N   1 
HETATM 1565 O  O   . HOH V 6 .  ? 19.550 -3.287  20.996 1.00 51.73 ? 501 HOH A O   1 
HETATM 1566 O  O   . HOH V 6 .  ? 15.274 -4.020  -1.781 1.00 37.39 ? 502 HOH A O   1 
HETATM 1567 O  O   . HOH V 6 .  ? 5.403  -13.886 2.092  1.00 48.79 ? 503 HOH A O   1 
HETATM 1568 O  O   . HOH V 6 .  ? 23.458 9.090   16.189 1.00 41.76 ? 504 HOH A O   1 
HETATM 1569 O  O   . HOH V 6 .  ? 10.732 0.522   8.176  1.00 26.42 ? 505 HOH A O   1 
HETATM 1570 O  O   . HOH V 6 .  ? 25.117 9.234   11.375 1.00 49.58 ? 506 HOH A O   1 
HETATM 1571 O  O   . HOH V 6 .  ? 1.776  -1.254  13.600 1.00 40.72 ? 507 HOH A O   1 
HETATM 1572 O  O   . HOH V 6 .  ? 11.015 -8.906  10.533 1.00 30.87 ? 508 HOH A O   1 
HETATM 1573 O  O   . HOH V 6 .  ? 6.488  -13.319 9.638  1.00 42.17 ? 509 HOH A O   1 
HETATM 1574 O  O   . HOH V 6 .  ? 7.024  6.511   17.958 1.00 29.85 ? 510 HOH A O   1 
HETATM 1575 O  O   . HOH V 6 .  ? 16.645 -8.529  1.540  1.00 27.31 ? 511 HOH A O   1 
HETATM 1576 O  O   . HOH V 6 .  ? 23.192 10.552  8.797  1.00 49.86 ? 512 HOH A O   1 
HETATM 1577 O  O   . HOH V 6 .  ? 21.761 -15.003 12.432 1.00 26.11 ? 513 HOH A O   1 
HETATM 1578 O  O   . HOH V 6 .  ? 8.231  14.417  17.691 1.00 24.87 ? 514 HOH A O   1 
HETATM 1579 O  O   . HOH V 6 .  ? 13.755 9.424   3.320  1.00 51.93 ? 515 HOH A O   1 
HETATM 1580 O  O   . HOH V 6 .  ? 21.154 -9.080  6.337  1.00 20.99 ? 516 HOH A O   1 
HETATM 1581 O  O   . HOH V 6 .  ? 7.763  -13.365 -1.651 1.00 33.35 ? 517 HOH A O   1 
HETATM 1582 O  O   . HOH V 6 .  ? 8.001  18.926  22.596 1.00 30.23 ? 518 HOH A O   1 
HETATM 1583 O  O   . HOH V 6 .  ? 11.139 -6.147  12.128 1.00 30.17 ? 519 HOH A O   1 
HETATM 1584 O  O   . HOH V 6 .  ? 16.711 14.373  10.827 1.00 36.25 ? 520 HOH A O   1 
HETATM 1585 O  O   . HOH V 6 .  ? 20.893 7.360   5.467  1.00 45.59 ? 521 HOH A O   1 
HETATM 1586 O  O   . HOH V 6 .  ? 18.851 7.351   23.098 1.00 45.36 ? 522 HOH A O   1 
HETATM 1587 O  O   . HOH V 6 .  ? 6.076  15.164  23.287 1.00 28.17 ? 523 HOH A O   1 
HETATM 1588 O  O   . HOH V 6 .  ? 20.350 14.867  18.331 1.00 52.47 ? 524 HOH A O   1 
HETATM 1589 O  O   . HOH V 6 .  ? 25.120 2.165   17.714 1.00 53.40 ? 525 HOH A O   1 
HETATM 1590 O  O   . HOH V 6 .  ? 22.429 -3.373  19.657 1.00 46.25 ? 526 HOH A O   1 
HETATM 1591 O  O   . HOH V 6 .  ? 19.011 4.460   -0.195 1.00 40.53 ? 527 HOH A O   1 
HETATM 1592 O  O   . HOH V 6 .  ? 9.701  17.077  25.376 1.00 45.23 ? 528 HOH A O   1 
HETATM 1593 O  O   . HOH V 6 .  ? 16.394 -5.720  0.764  1.00 40.23 ? 529 HOH A O   1 
HETATM 1594 O  O   . HOH V 6 .  ? 20.974 -9.085  9.126  1.00 22.33 ? 530 HOH A O   1 
HETATM 1595 O  O   . HOH V 6 .  ? 2.996  14.378  4.146  1.00 52.48 ? 531 HOH A O   1 
HETATM 1596 O  O   . HOH V 6 .  ? 19.268 -6.875  9.070  1.00 22.75 ? 532 HOH A O   1 
HETATM 1597 O  O   . HOH V 6 .  ? 18.823 -17.352 11.704 1.00 35.70 ? 533 HOH A O   1 
HETATM 1598 O  O   . HOH V 6 .  ? 13.792 -7.043  12.674 1.00 30.93 ? 534 HOH A O   1 
HETATM 1599 O  O   . HOH V 6 .  ? 14.725 -15.391 10.792 1.00 32.89 ? 535 HOH A O   1 
HETATM 1600 O  O   . HOH V 6 .  ? 18.091 5.376   1.917  1.00 48.69 ? 536 HOH A O   1 
HETATM 1601 O  O   . HOH V 6 .  ? 4.091  6.836   20.096 1.00 39.13 ? 537 HOH A O   1 
HETATM 1602 O  O   . HOH V 6 .  ? 7.147  6.444   4.718  1.00 43.17 ? 538 HOH A O   1 
HETATM 1603 O  O   . HOH V 6 .  ? 16.499 11.750  6.889  1.00 38.44 ? 539 HOH A O   1 
HETATM 1604 O  O   . HOH V 6 .  ? 25.469 0.035   12.366 1.00 43.25 ? 540 HOH A O   1 
HETATM 1605 O  O   . HOH V 6 .  ? 10.532 14.787  2.586  1.00 43.93 ? 541 HOH A O   1 
HETATM 1606 O  O   . HOH V 6 .  ? 11.905 -10.972 12.275 1.00 49.84 ? 542 HOH A O   1 
HETATM 1607 O  O   . HOH V 6 .  ? 14.095 -17.225 8.860  1.00 52.18 ? 543 HOH A O   1 
HETATM 1608 O  O   . HOH V 6 .  ? 5.763  4.452   3.778  1.00 44.02 ? 544 HOH A O   1 
HETATM 1609 O  O   . HOH V 6 .  ? 21.812 5.175   5.855  1.00 41.18 ? 545 HOH A O   1 
HETATM 1610 O  O   . HOH V 6 .  ? 25.138 9.774   14.545 1.00 52.55 ? 546 HOH A O   1 
HETATM 1611 O  O   . HOH V 6 .  ? 26.926 3.395   14.037 1.00 54.35 ? 547 HOH A O   1 
HETATM 1612 O  O   . HOH W 6 .  ? 6.357  6.841   22.718 1.00 38.25 ? 201 HOH B O   1 
HETATM 1613 O  O   . HOH W 6 .  ? 6.224  7.864   24.747 1.00 52.84 ? 202 HOH B O   1 
HETATM 1614 O  O   . HOH W 6 .  ? 2.812  -9.994  3.096  1.00 39.53 ? 203 HOH B O   1 
HETATM 1615 O  O   . HOH W 6 .  ? 7.550  -3.232  24.407 1.00 45.91 ? 204 HOH B O   1 
HETATM 1616 O  O   . HOH W 6 .  ? 2.569  -2.246  16.229 1.00 44.15 ? 205 HOH B O   1 
HETATM 1617 O  O   . HOH W 6 .  ? 10.107 -10.508 18.081 1.00 54.98 ? 206 HOH B O   1 
HETATM 1618 O  O   . HOH W 6 .  ? 5.702  -0.196  20.486 1.00 44.85 ? 207 HOH B O   1 
HETATM 1619 O  O   . HOH X 6 .  ? 20.832 -2.519  0.453  1.00 40.08 ? 501 HOH C O   1 
HETATM 1620 O  O   . HOH X 6 .  ? 49.966 -16.895 21.794 1.00 51.77 ? 502 HOH C O   1 
HETATM 1621 O  O   . HOH X 6 .  ? 38.047 -21.263 3.113  1.00 49.04 ? 503 HOH C O   1 
HETATM 1622 O  O   . HOH X 6 .  ? 51.390 -17.407 20.074 1.00 46.44 ? 504 HOH C O   1 
HETATM 1623 O  O   . HOH X 6 .  ? 37.060 -4.103  9.800  1.00 39.86 ? 505 HOH C O   1 
HETATM 1624 O  O   . HOH X 6 .  ? 25.341 -24.490 8.308  1.00 50.28 ? 506 HOH C O   1 
HETATM 1625 O  O   . HOH X 6 .  ? 30.658 -2.889  7.208  1.00 48.93 ? 507 HOH C O   1 
HETATM 1626 O  O   . HOH X 6 .  ? 40.997 -18.305 8.751  1.00 37.53 ? 508 HOH C O   1 
HETATM 1627 O  O   . HOH X 6 .  ? 34.883 -12.431 15.774 1.00 25.48 ? 509 HOH C O   1 
HETATM 1628 O  O   . HOH X 6 .  ? 36.605 -23.450 22.865 1.00 41.46 ? 510 HOH C O   1 
HETATM 1629 O  O   . HOH X 6 .  ? 22.058 -7.899  22.187 1.00 40.01 ? 511 HOH C O   1 
HETATM 1630 O  O   . HOH X 6 .  ? 48.646 -10.158 25.514 1.00 43.65 ? 512 HOH C O   1 
HETATM 1631 O  O   . HOH X 6 .  ? 22.404 -2.136  6.065  1.00 26.40 ? 513 HOH C O   1 
HETATM 1632 O  O   . HOH X 6 .  ? 23.902 -24.071 15.202 1.00 44.21 ? 514 HOH C O   1 
HETATM 1633 O  O   . HOH X 6 .  ? 44.271 -13.386 13.534 1.00 35.03 ? 515 HOH C O   1 
HETATM 1634 O  O   . HOH X 6 .  ? 48.824 -9.112  14.168 1.00 40.73 ? 516 HOH C O   1 
HETATM 1635 O  O   . HOH X 6 .  ? 29.026 -8.369  6.000  1.00 25.93 ? 517 HOH C O   1 
HETATM 1636 O  O   . HOH X 6 .  ? 49.649 -24.301 11.612 1.00 28.24 ? 518 HOH C O   1 
HETATM 1637 O  O   . HOH X 6 .  ? 27.411 -20.059 1.011  1.00 44.79 ? 519 HOH C O   1 
HETATM 1638 O  O   . HOH X 6 .  ? 19.630 -13.615 1.288  1.00 38.72 ? 520 HOH C O   1 
HETATM 1639 O  O   . HOH X 6 .  ? 44.245 -6.073  28.575 1.00 33.77 ? 521 HOH C O   1 
HETATM 1640 O  O   . HOH X 6 .  ? 27.349 -22.116 18.618 1.00 44.55 ? 522 HOH C O   1 
HETATM 1641 O  O   . HOH X 6 .  ? 20.431 -6.859  0.772  1.00 26.49 ? 523 HOH C O   1 
HETATM 1642 O  O   . HOH X 6 .  ? 41.327 -13.398 11.721 1.00 31.72 ? 524 HOH C O   1 
HETATM 1643 O  O   . HOH X 6 .  ? 39.117 -21.091 23.569 1.00 43.10 ? 525 HOH C O   1 
HETATM 1644 O  O   . HOH X 6 .  ? 32.548 -26.992 6.332  1.00 55.64 ? 526 HOH C O   1 
HETATM 1645 O  O   . HOH X 6 .  ? 19.587 -21.597 5.972  1.00 53.61 ? 527 HOH C O   1 
HETATM 1646 O  O   . HOH X 6 .  ? 20.702 -17.386 13.484 1.00 32.45 ? 528 HOH C O   1 
HETATM 1647 O  O   . HOH X 6 .  ? 36.814 -24.142 17.895 1.00 33.92 ? 529 HOH C O   1 
HETATM 1648 O  O   . HOH X 6 .  ? 31.786 -17.626 0.542  1.00 44.35 ? 530 HOH C O   1 
HETATM 1649 O  O   . HOH X 6 .  ? 25.013 -26.315 12.675 1.00 48.87 ? 531 HOH C O   1 
HETATM 1650 O  O   . HOH X 6 .  ? 18.188 -10.487 -1.287 1.00 44.34 ? 532 HOH C O   1 
HETATM 1651 O  O   . HOH X 6 .  ? 34.695 -24.032 3.577  1.00 42.72 ? 533 HOH C O   1 
HETATM 1652 O  O   . HOH X 6 .  ? 52.105 -21.566 12.418 1.00 38.99 ? 534 HOH C O   1 
HETATM 1653 O  O   . HOH X 6 .  ? 42.003 -16.099 11.356 1.00 31.59 ? 535 HOH C O   1 
HETATM 1654 O  O   . HOH X 6 .  ? 50.441 -17.467 13.276 1.00 38.49 ? 536 HOH C O   1 
HETATM 1655 O  O   . HOH X 6 .  ? 21.420 -17.841 3.970  1.00 48.44 ? 537 HOH C O   1 
HETATM 1656 O  O   . HOH X 6 .  ? 43.740 -23.243 14.946 1.00 25.18 ? 538 HOH C O   1 
HETATM 1657 O  O   . HOH X 6 .  ? 41.682 -21.468 14.978 1.00 24.96 ? 539 HOH C O   1 
HETATM 1658 O  O   . HOH X 6 .  ? 29.445 -8.430  19.206 1.00 41.65 ? 540 HOH C O   1 
HETATM 1659 O  O   . HOH X 6 .  ? 40.168 -18.117 22.777 1.00 42.22 ? 541 HOH C O   1 
HETATM 1660 O  O   . HOH X 6 .  ? 18.566 -19.858 10.235 1.00 44.89 ? 542 HOH C O   1 
HETATM 1661 O  O   . HOH X 6 .  ? 29.112 -5.377  3.872  1.00 36.14 ? 543 HOH C O   1 
HETATM 1662 O  O   . HOH X 6 .  ? 34.572 -27.250 11.537 1.00 45.64 ? 544 HOH C O   1 
HETATM 1663 O  O   . HOH X 6 .  ? 23.432 -17.465 17.383 1.00 39.17 ? 545 HOH C O   1 
HETATM 1664 O  O   . HOH X 6 .  ? 47.842 -13.829 25.019 1.00 51.23 ? 546 HOH C O   1 
HETATM 1665 O  O   . HOH X 6 .  ? 39.448 -7.288  27.722 1.00 52.19 ? 547 HOH C O   1 
HETATM 1666 O  O   . HOH X 6 .  ? 30.893 -22.846 20.331 1.00 40.62 ? 548 HOH C O   1 
HETATM 1667 O  O   . HOH X 6 .  ? 33.136 -25.019 15.386 1.00 39.63 ? 549 HOH C O   1 
HETATM 1668 O  O   . HOH X 6 .  ? 27.705 -25.107 5.941  1.00 52.98 ? 550 HOH C O   1 
HETATM 1669 O  O   . HOH X 6 .  ? 29.711 -23.263 18.107 1.00 38.07 ? 551 HOH C O   1 
HETATM 1670 O  O   . HOH X 6 .  ? 30.515 -26.293 14.827 1.00 55.73 ? 552 HOH C O   1 
HETATM 1671 O  O   . HOH X 6 .  ? 51.938 -19.060 11.621 1.00 46.11 ? 553 HOH C O   1 
HETATM 1672 O  O   . HOH X 6 .  ? 24.543 -26.520 10.045 1.00 56.72 ? 554 HOH C O   1 
HETATM 1673 O  O   . HOH Y 6 .  ? 45.906 -12.845 6.042  1.00 44.97 ? 301 HOH D O   1 
HETATM 1674 O  O   . HOH Y 6 .  ? 37.235 -4.847  14.026 1.00 45.96 ? 302 HOH D O   1 
HETATM 1675 O  O   . HOH Y 6 .  ? 38.101 -4.572  7.109  1.00 37.95 ? 303 HOH D O   1 
HETATM 1676 O  O   . HOH Y 6 .  ? 38.763 -9.939  -0.579 1.00 46.40 ? 304 HOH D O   1 
HETATM 1677 O  O   . HOH Y 6 .  ? 45.858 -9.945  2.938  1.00 46.50 ? 305 HOH D O   1 
HETATM 1678 O  O   . HOH Y 6 .  ? 47.339 -6.350  5.695  1.00 48.91 ? 306 HOH D O   1 
HETATM 1679 O  O   . HOH Y 6 .  ? 34.558 -15.944 1.054  1.00 37.64 ? 307 HOH D O   1 
HETATM 1680 O  O   . HOH Y 6 .  ? 45.721 -5.087  20.728 1.00 40.84 ? 308 HOH D O   1 
HETATM 1681 O  O   . HOH Y 6 .  ? 32.304 -11.750 0.895  1.00 38.20 ? 309 HOH D O   1 
HETATM 1682 O  O   . HOH Y 6 .  ? 36.133 -5.589  5.482  1.00 39.11 ? 310 HOH D O   1 
HETATM 1683 O  O   . HOH Y 6 .  ? 36.079 -7.609  3.171  1.00 42.58 ? 311 HOH D O   1 
HETATM 1684 O  O   . HOH Y 6 .  ? 49.164 0.302   14.843 1.00 57.19 ? 312 HOH D O   1 
HETATM 1685 O  O   . HOH Y 6 .  ? 48.969 -9.011  8.889  1.00 60.41 ? 313 HOH D O   1 
HETATM 1686 O  O   . HOH Y 6 .  ? 33.074 -9.811  -0.506 1.00 52.12 ? 314 HOH D 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 7  ? 0.7774 0.6650 0.9554 -0.2428 0.1406  0.0156  299 GLY A N   
2    C CA  . GLY A 7  ? 0.7268 0.6622 0.9171 -0.2220 0.1376  0.0218  299 GLY A CA  
3    C C   . GLY A 7  ? 0.6467 0.6112 0.8313 -0.2003 0.1025  0.0136  299 GLY A C   
4    O O   . GLY A 7  ? 0.6381 0.5849 0.8071 -0.2006 0.0818  0.0036  299 GLY A O   
5    N N   . PRO A 8  ? 0.5915 0.5959 0.7850 -0.1810 0.0965  0.0174  300 PRO A N   
6    C CA  . PRO A 8  ? 0.5200 0.5491 0.7079 -0.1617 0.0669  0.0104  300 PRO A CA  
7    C C   . PRO A 8  ? 0.5046 0.4918 0.6345 -0.1421 0.0592  0.0168  300 PRO A C   
8    O O   . PRO A 8  ? 0.5008 0.4524 0.5945 -0.1334 0.0754  0.0296  300 PRO A O   
9    C CB  . PRO A 8  ? 0.5068 0.5807 0.7160 -0.1475 0.0687  0.0149  300 PRO A CB  
10   C CG  . PRO A 8  ? 0.5294 0.5994 0.7494 -0.1564 0.1012  0.0259  300 PRO A CG  
11   C CD  . PRO A 8  ? 0.5924 0.6148 0.7981 -0.1768 0.1197  0.0287  300 PRO A CD  
12   N N   . SER A 9  ? 0.4495 0.4429 0.5706 -0.1329 0.0345  0.0075  301 SER A N   
13   C CA  . SER A 9  ? 0.4431 0.4039 0.5171 -0.1150 0.0261  0.0104  301 SER A CA  
14   C C   . SER A 9  ? 0.3887 0.3766 0.4639 -0.1004 0.0048  0.0037  301 SER A C   
15   O O   . SER A 9  ? 0.3982 0.4088 0.4967 -0.1075 -0.0102 -0.0080 301 SER A O   
16   C CB  . SER A 9  ? 0.5222 0.4422 0.5765 -0.1252 0.0241  0.0045  301 SER A CB  
17   O OG  . SER A 9  ? 0.5777 0.4693 0.5897 -0.1063 0.0182  0.0070  301 SER A OG  
18   N N   . CYS A 10 ? 0.3326 0.3174 0.3835 -0.0806 0.0041  0.0105  302 CYS A N   
19   C CA  . CYS A 10 ? 0.3187 0.3245 0.3678 -0.0670 -0.0106 0.0066  302 CYS A CA  
20   C C   . CYS A 10 ? 0.3160 0.3063 0.3484 -0.0665 -0.0257 -0.0036 302 CYS A C   
21   O O   . CYS A 10 ? 0.3494 0.3070 0.3568 -0.0658 -0.0232 -0.0040 302 CYS A O   
22   C CB  . CYS A 10 ? 0.2972 0.2982 0.3262 -0.0498 -0.0046 0.0152  302 CYS A CB  
23   S SG  . CYS A 10 ? 0.2816 0.2952 0.3002 -0.0340 -0.0162 0.0125  302 CYS A SG  
24   N N   . LYS A 11 ? 0.3225 0.3340 0.3647 -0.0640 -0.0415 -0.0120 303 LYS A N   
25   C CA  . LYS A 11 ? 0.3557 0.3497 0.3763 -0.0614 -0.0570 -0.0228 303 LYS A CA  
26   C C   . LYS A 11 ? 0.3365 0.3095 0.3205 -0.0441 -0.0532 -0.0178 303 LYS A C   
27   O O   . LYS A 11 ? 0.3891 0.3359 0.3471 -0.0412 -0.0584 -0.0241 303 LYS A O   
28   C CB  . LYS A 11 ? 0.4331 0.4509 0.4668 -0.0598 -0.0775 -0.0345 303 LYS A CB  
29   C CG  . LYS A 11 ? 0.4753 0.5097 0.4995 -0.0409 -0.0834 -0.0310 303 LYS A CG  
30   C CD  . LYS A 11 ? 0.5034 0.5555 0.5322 -0.0348 -0.1070 -0.0437 303 LYS A CD  
31   C CE  . LYS A 11 ? 0.5574 0.5829 0.5564 -0.0328 -0.1223 -0.0558 303 LYS A CE  
32   N NZ  . LYS A 11 ? 0.5620 0.6054 0.5651 -0.0253 -0.1483 -0.0700 303 LYS A NZ  
33   N N   . HIS A 12 ? 0.3128 0.2957 0.2961 -0.0338 -0.0433 -0.0080 304 HIS A N   
34   C CA  . HIS A 12 ? 0.3220 0.2911 0.2797 -0.0194 -0.0374 -0.0044 304 HIS A CA  
35   C C   . HIS A 12 ? 0.3212 0.2692 0.2683 -0.0186 -0.0273 -0.0017 304 HIS A C   
36   O O   . HIS A 12 ? 0.3657 0.2931 0.2907 -0.0123 -0.0275 -0.0058 304 HIS A O   
37   C CB  . HIS A 12 ? 0.3038 0.2908 0.2677 -0.0105 -0.0312 0.0028  304 HIS A CB  
38   C CG  . HIS A 12 ? 0.3415 0.3163 0.2841 0.0007  -0.0255 0.0037  304 HIS A CG  
39   N ND1 . HIS A 12 ? 0.3739 0.3418 0.2964 0.0086  -0.0300 0.0012  304 HIS A ND1 
40   C CD2 . HIS A 12 ? 0.3881 0.3568 0.3272 0.0058  -0.0144 0.0061  304 HIS A CD2 
41   C CE1 . HIS A 12 ? 0.3897 0.3459 0.2974 0.0162  -0.0182 0.0032  304 HIS A CE1 
42   N NE2 . HIS A 12 ? 0.3894 0.3494 0.3111 0.0140  -0.0095 0.0051  304 HIS A NE2 
43   N N   . CYS A 13 ? 0.3067 0.2572 0.2656 -0.0226 -0.0190 0.0044  305 CYS A N   
44   C CA  . CYS A 13 ? 0.3215 0.2528 0.2664 -0.0156 -0.0110 0.0074  305 CYS A CA  
45   C C   . CYS A 13 ? 0.3359 0.2431 0.2749 -0.0243 -0.0067 0.0089  305 CYS A C   
46   O O   . CYS A 13 ? 0.3630 0.2484 0.2835 -0.0150 -0.0021 0.0109  305 CYS A O   
47   C CB  . CYS A 13 ? 0.3022 0.2488 0.2550 -0.0071 -0.0045 0.0136  305 CYS A CB  
48   S SG  . CYS A 13 ? 0.3046 0.2630 0.2740 -0.0145 0.0018  0.0212  305 CYS A SG  
49   N N   . LYS A 14 ? 0.3381 0.2485 0.2926 -0.0406 -0.0076 0.0076  306 LYS A N   
50   C CA  . LYS A 14 ? 0.3906 0.2742 0.3410 -0.0531 0.0005  0.0095  306 LYS A CA  
51   C C   . LYS A 14 ? 0.3898 0.2650 0.3320 -0.0463 0.0142  0.0205  306 LYS A C   
52   O O   . LYS A 14 ? 0.4415 0.2826 0.3666 -0.0508 0.0240  0.0244  306 LYS A O   
53   C CB  . LYS A 14 ? 0.4475 0.2933 0.3707 -0.0519 -0.0032 0.0033  306 LYS A CB  
54   C CG  . LYS A 14 ? 0.4935 0.3439 0.4199 -0.0579 -0.0174 -0.0085 306 LYS A CG  
55   C CD  . LYS A 14 ? 0.5840 0.4409 0.5371 -0.0812 -0.0197 -0.0142 306 LYS A CD  
56   C CE  . LYS A 14 ? 0.6872 0.5402 0.6419 -0.0902 -0.0362 -0.0292 306 LYS A CE  
57   N NZ  . LYS A 14 ? 0.7138 0.6095 0.6995 -0.0939 -0.0487 -0.0353 306 LYS A NZ  
58   N N   . ASP A 15 ? 0.3546 0.2564 0.3063 -0.0362 0.0150  0.0249  307 ASP A N   
59   C CA  . ASP A 15 ? 0.3828 0.2781 0.3230 -0.0256 0.0248  0.0336  307 ASP A CA  
60   C C   . ASP A 15 ? 0.4174 0.2781 0.3241 -0.0112 0.0247  0.0339  307 ASP A C   
61   O O   . ASP A 15 ? 0.4520 0.2875 0.3369 -0.0046 0.0337  0.0410  307 ASP A O   
62   C CB  . ASP A 15 ? 0.4098 0.3048 0.3610 -0.0382 0.0389  0.0405  307 ASP A CB  
63   C CG  . ASP A 15 ? 0.3449 0.2822 0.3325 -0.0463 0.0367  0.0386  307 ASP A CG  
64   O OD1 . ASP A 15 ? 0.3597 0.3184 0.3512 -0.0344 0.0324  0.0395  307 ASP A OD1 
65   O OD2 . ASP A 15 ? 0.3596 0.3065 0.3710 -0.0639 0.0371  0.0343  307 ASP A OD2 
66   N N   . ASP A 16 ? 0.4057 0.2632 0.3057 -0.0043 0.0153  0.0264  308 ASP A N   
67   C CA  . ASP A 16 ? 0.4204 0.2510 0.2923 0.0134  0.0131  0.0246  308 ASP A CA  
68   C C   . ASP A 16 ? 0.3867 0.2401 0.2639 0.0310  0.0087  0.0231  308 ASP A C   
69   O O   . ASP A 16 ? 0.3760 0.2591 0.2739 0.0313  0.0041  0.0179  308 ASP A O   
70   C CB  . ASP A 16 ? 0.4573 0.2791 0.3232 0.0140  0.0066  0.0161  308 ASP A CB  
71   C CG  . ASP A 16 ? 0.5000 0.2987 0.3412 0.0338  0.0038  0.0122  308 ASP A CG  
72   O OD1 . ASP A 16 ? 0.4953 0.2913 0.3267 0.0505  0.0035  0.0143  308 ASP A OD1 
73   O OD2 . ASP A 16 ? 0.5478 0.3291 0.3776 0.0332  0.0012  0.0062  308 ASP A OD2 
74   N N   . VAL A 17 ? 0.4268 0.2638 0.2840 0.0454  0.0100  0.0266  309 VAL A N   
75   C CA  . VAL A 17 ? 0.4086 0.2672 0.2720 0.0620  0.0034  0.0229  309 VAL A CA  
76   C C   . VAL A 17 ? 0.3805 0.2554 0.2550 0.0740  -0.0055 0.0115  309 VAL A C   
77   O O   . VAL A 17 ? 0.3771 0.2794 0.2702 0.0816  -0.0110 0.0053  309 VAL A O   
78   C CB  . VAL A 17 ? 0.4826 0.3123 0.3131 0.0784  0.0045  0.0280  309 VAL A CB  
79   C CG1 . VAL A 17 ? 0.5574 0.3705 0.3773 0.0663  0.0185  0.0399  309 VAL A CG1 
80   C CG2 . VAL A 17 ? 0.5370 0.3293 0.3339 0.0949  0.0013  0.0265  309 VAL A CG2 
81   N N   . ASN A 18 ? 0.3989 0.2585 0.2648 0.0745  -0.0057 0.0081  310 ASN A N   
82   C CA  . ASN A 18 ? 0.3868 0.2628 0.2646 0.0865  -0.0106 -0.0027 310 ASN A CA  
83   C C   . ASN A 18 ? 0.3547 0.2574 0.2580 0.0731  -0.0069 -0.0057 310 ASN A C   
84   O O   . ASN A 18 ? 0.3568 0.2718 0.2702 0.0799  -0.0061 -0.0137 310 ASN A O   
85   C CB  . ASN A 18 ? 0.4264 0.2698 0.2774 0.0979  -0.0118 -0.0054 310 ASN A CB  
86   C CG  . ASN A 18 ? 0.4734 0.2846 0.2922 0.1147  -0.0151 -0.0017 310 ASN A CG  
87   O OD1 . ASN A 18 ? 0.4660 0.2907 0.2877 0.1336  -0.0233 -0.0067 310 ASN A OD1 
88   N ND2 . ASN A 18 ? 0.5355 0.3039 0.3239 0.1069  -0.0084 0.0072  310 ASN A ND2 
89   N N   . ARG A 19 ? 0.3367 0.2465 0.2482 0.0559  -0.0035 0.0006  311 ARG A N   
90   C CA  . ARG A 19 ? 0.3285 0.2566 0.2555 0.0454  -0.0006 -0.0007 311 ARG A CA  
91   C C   . ARG A 19 ? 0.3055 0.2594 0.2533 0.0408  0.0007  0.0015  311 ARG A C   
92   O O   . ARG A 19 ? 0.3152 0.2707 0.2638 0.0417  -0.0005 0.0056  311 ARG A O   
93   C CB  . ARG A 19 ? 0.3560 0.2673 0.2717 0.0318  -0.0011 0.0023  311 ARG A CB  
94   C CG  . ARG A 19 ? 0.4028 0.2835 0.2953 0.0358  -0.0025 -0.0013 311 ARG A CG  
95   C CD  . ARG A 19 ? 0.4469 0.3118 0.3308 0.0213  -0.0053 -0.0022 311 ARG A CD  
96   N NE  . ARG A 19 ? 0.4897 0.3719 0.3800 0.0202  -0.0066 -0.0056 311 ARG A NE  
97   C CZ  . ARG A 19 ? 0.5734 0.4549 0.4620 0.0100  -0.0123 -0.0076 311 ARG A CZ  
98   N NH1 . ARG A 19 ? 0.5798 0.4432 0.4633 -0.0013 -0.0175 -0.0096 311 ARG A NH1 
99   N NH2 . ARG A 19 ? 0.5722 0.4693 0.4638 0.0119  -0.0127 -0.0083 311 ARG A NH2 
100  N N   . LEU A 20 ? 0.2926 0.2620 0.2529 0.0376  0.0046  -0.0009 312 LEU A N   
101  C CA  . LEU A 20 ? 0.2596 0.2466 0.2348 0.0321  0.0071  0.0017  312 LEU A CA  
102  C C   . LEU A 20 ? 0.2674 0.2513 0.2370 0.0222  0.0055  0.0083  312 LEU A C   
103  O O   . LEU A 20 ? 0.2996 0.2721 0.2576 0.0181  0.0032  0.0079  312 LEU A O   
104  C CB  . LEU A 20 ? 0.2509 0.2500 0.2388 0.0328  0.0148  -0.0030 312 LEU A CB  
105  C CG  . LEU A 20 ? 0.2605 0.2713 0.2647 0.0415  0.0170  -0.0127 312 LEU A CG  
106  C CD1 . LEU A 20 ? 0.2444 0.2666 0.2648 0.0380  0.0297  -0.0170 312 LEU A CD1 
107  C CD2 . LEU A 20 ? 0.2617 0.2832 0.2778 0.0475  0.0091  -0.0165 312 LEU A CD2 
108  N N   . CYS A 21 ? 0.2551 0.2508 0.2343 0.0197  0.0059  0.0123  313 CYS A N   
109  C CA  . CYS A 21 ? 0.2567 0.2566 0.2365 0.0128  0.0037  0.0169  313 CYS A CA  
110  C C   . CYS A 21 ? 0.2338 0.2468 0.2232 0.0144  0.0061  0.0198  313 CYS A C   
111  O O   . CYS A 21 ? 0.2332 0.2508 0.2282 0.0170  0.0072  0.0211  313 CYS A O   
112  C CB  . CYS A 21 ? 0.2594 0.2549 0.2392 0.0064  0.0011  0.0199  313 CYS A CB  
113  S SG  . CYS A 21 ? 0.2597 0.2679 0.2487 -0.0016 -0.0045 0.0207  313 CYS A SG  
114  N N   . ARG A 22 ? 0.2389 0.2533 0.2250 0.0147  0.0066  0.0208  314 ARG A N   
115  C CA  A ARG A 22 ? 0.2327 0.2536 0.2232 0.0176  0.0095  0.0238  314 ARG A CA  
116  C CA  B ARG A 22 ? 0.2422 0.2630 0.2325 0.0176  0.0094  0.0238  314 ARG A CA  
117  C C   . ARG A 22 ? 0.2665 0.2986 0.2624 0.0173  0.0042  0.0278  314 ARG A C   
118  O O   . ARG A 22 ? 0.2579 0.2943 0.2553 0.0220  0.0059  0.0304  314 ARG A O   
119  C CB  A ARG A 22 ? 0.2368 0.2476 0.2163 0.0202  0.0154  0.0238  314 ARG A CB  
120  C CB  B ARG A 22 ? 0.2603 0.2709 0.2393 0.0202  0.0152  0.0238  314 ARG A CB  
121  C CG  A ARG A 22 ? 0.2327 0.2381 0.2152 0.0190  0.0241  0.0187  314 ARG A CG  
122  C CG  B ARG A 22 ? 0.2731 0.2782 0.2551 0.0191  0.0241  0.0189  314 ARG A CG  
123  C CD  A ARG A 22 ? 0.2474 0.2392 0.2191 0.0197  0.0359  0.0195  314 ARG A CD  
124  C CD  B ARG A 22 ? 0.3140 0.3038 0.2806 0.0203  0.0345  0.0195  314 ARG A CD  
125  N NE  A ARG A 22 ? 0.2526 0.2447 0.2349 0.0171  0.0469  0.0133  314 ARG A NE  
126  N NE  B ARG A 22 ? 0.3444 0.3338 0.3231 0.0174  0.0478  0.0143  314 ARG A NE  
127  C CZ  A ARG A 22 ? 0.2519 0.2341 0.2335 0.0145  0.0626  0.0129  314 ARG A CZ  
128  C CZ  B ARG A 22 ? 0.3773 0.3730 0.3673 0.0170  0.0512  0.0076  314 ARG A CZ  
129  N NH1 A ARG A 22 ? 0.2858 0.2506 0.2482 0.0161  0.0680  0.0196  314 ARG A NH1 
130  N NH1 B ARG A 22 ? 0.3808 0.3784 0.3669 0.0200  0.0424  0.0056  314 ARG A NH1 
131  N NH2 A ARG A 22 ? 0.2750 0.2639 0.2752 0.0109  0.0739  0.0057  314 ARG A NH2 
132  N NH2 B ARG A 22 ? 0.3757 0.3769 0.3845 0.0135  0.0640  0.0017  314 ARG A NH2 
133  N N   . VAL A 23 ? 0.2617 0.2982 0.2626 0.0117  -0.0006 0.0274  315 VAL A N   
134  C CA  . VAL A 23 ? 0.2597 0.3131 0.2758 0.0095  -0.0025 0.0298  315 VAL A CA  
135  C C   . VAL A 23 ? 0.2696 0.3224 0.2912 0.0069  0.0047  0.0329  315 VAL A C   
136  O O   . VAL A 23 ? 0.2628 0.3248 0.2909 0.0108  0.0095  0.0364  315 VAL A O   
137  C CB  . VAL A 23 ? 0.2855 0.3464 0.3087 0.0035  -0.0117 0.0259  315 VAL A CB  
138  C CG1 . VAL A 23 ? 0.2841 0.3674 0.3324 -0.0016 -0.0112 0.0265  315 VAL A CG1 
139  C CG2 . VAL A 23 ? 0.3491 0.4080 0.3592 0.0116  -0.0202 0.0234  315 VAL A CG2 
140  N N   . CYS A 24 ? 0.2320 0.2700 0.2458 0.0031  0.0065  0.0319  316 CYS A N   
141  C CA  . CYS A 24 ? 0.2536 0.2839 0.2643 0.0028  0.0140  0.0359  316 CYS A CA  
142  C C   . CYS A 24 ? 0.2374 0.2604 0.2364 0.0140  0.0156  0.0357  316 CYS A C   
143  O O   . CYS A 24 ? 0.2714 0.2894 0.2635 0.0185  0.0215  0.0396  316 CYS A O   
144  C CB  . CYS A 24 ? 0.2782 0.2897 0.2802 -0.0040 0.0147  0.0351  316 CYS A CB  
145  S SG  . CYS A 24 ? 0.2723 0.2916 0.2913 -0.0197 0.0109  0.0318  316 CYS A SG  
146  N N   . ALA A 25 ? 0.2316 0.2530 0.2281 0.0183  0.0110  0.0303  317 ALA A N   
147  C CA  . ALA A 25 ? 0.2205 0.2391 0.2129 0.0274  0.0096  0.0262  317 ALA A CA  
148  C C   . ALA A 25 ? 0.2199 0.2475 0.2213 0.0280  0.0095  0.0229  317 ALA A C   
149  O O   . ALA A 25 ? 0.2495 0.2833 0.2546 0.0254  0.0112  0.0267  317 ALA A O   
150  C CB  . ALA A 25 ? 0.2446 0.2529 0.2300 0.0315  0.0061  0.0208  317 ALA A CB  
151  N N   . CYS A 26 ? 0.2362 0.2641 0.2420 0.0319  0.0077  0.0153  318 CYS A N   
152  C CA  . CYS A 26 ? 0.2334 0.2647 0.2470 0.0308  0.0104  0.0124  318 CYS A CA  
153  C C   . CYS A 26 ? 0.2160 0.2453 0.2284 0.0253  0.0155  0.0165  318 CYS A C   
154  O O   . CYS A 26 ? 0.2076 0.2341 0.2188 0.0223  0.0173  0.0152  318 CYS A O   
155  C CB  . CYS A 26 ? 0.2585 0.2931 0.2847 0.0318  0.0087  0.0011  318 CYS A CB  
156  S SG  . CYS A 26 ? 0.2219 0.2540 0.2589 0.0259  0.0160  -0.0032 318 CYS A SG  
157  N N   . HIS A 27 ? 0.2300 0.2575 0.2385 0.0265  0.0178  0.0208  319 HIS A N   
158  C CA  . HIS A 27 ? 0.2369 0.2586 0.2364 0.0259  0.0202  0.0253  319 HIS A CA  
159  C C   . HIS A 27 ? 0.2489 0.2581 0.2452 0.0227  0.0290  0.0224  319 HIS A C   
160  O O   . HIS A 27 ? 0.2607 0.2593 0.2423 0.0237  0.0322  0.0259  319 HIS A O   
161  C CB  . HIS A 27 ? 0.2404 0.2630 0.2352 0.0320  0.0194  0.0302  319 HIS A CB  
162  C CG  . HIS A 27 ? 0.2511 0.2682 0.2333 0.0362  0.0181  0.0345  319 HIS A CG  
163  N ND1 . HIS A 27 ? 0.2655 0.2907 0.2466 0.0360  0.0107  0.0354  319 HIS A ND1 
164  C CD2 . HIS A 27 ? 0.2941 0.2959 0.2615 0.0424  0.0221  0.0372  319 HIS A CD2 
165  C CE1 . HIS A 27 ? 0.2818 0.2987 0.2469 0.0444  0.0081  0.0380  319 HIS A CE1 
166  N NE2 . HIS A 27 ? 0.2645 0.2650 0.2192 0.0485  0.0162  0.0401  319 HIS A NE2 
167  N N   . LEU A 28 ? 0.2376 0.2476 0.2475 0.0194  0.0332  0.0151  320 LEU A N   
168  C CA  . LEU A 28 ? 0.2574 0.2578 0.2724 0.0134  0.0457  0.0108  320 LEU A CA  
169  C C   . LEU A 28 ? 0.2493 0.2595 0.2776 0.0104  0.0478  0.0041  320 LEU A C   
170  O O   . LEU A 28 ? 0.2991 0.3004 0.3245 0.0068  0.0603  0.0041  320 LEU A O   
171  C CB  . LEU A 28 ? 0.2675 0.2642 0.2943 0.0099  0.0492  0.0046  320 LEU A CB  
172  C CG  . LEU A 28 ? 0.2955 0.2788 0.3049 0.0155  0.0480  0.0113  320 LEU A CG  
173  C CD1 . LEU A 28 ? 0.3226 0.2975 0.3416 0.0115  0.0512  0.0034  320 LEU A CD1 
174  C CD2 . LEU A 28 ? 0.3581 0.3216 0.3429 0.0186  0.0559  0.0210  320 LEU A CD2 
175  N N   . CYS A 29 ? 0.2277 0.2531 0.2687 0.0133  0.0378  -0.0019 321 CYS A N   
176  C CA  . CYS A 29 ? 0.2153 0.2504 0.2694 0.0137  0.0391  -0.0095 321 CYS A CA  
177  C C   . CYS A 29 ? 0.2340 0.2675 0.2739 0.0195  0.0306  -0.0057 321 CYS A C   
178  O O   . CYS A 29 ? 0.2278 0.2645 0.2721 0.0221  0.0323  -0.0108 321 CYS A O   
179  C CB  . CYS A 29 ? 0.2229 0.2752 0.3053 0.0144  0.0346  -0.0233 321 CYS A CB  
180  S SG  . CYS A 29 ? 0.2052 0.2628 0.2814 0.0257  0.0151  -0.0257 321 CYS A SG  
181  N N   . GLY A 30 ? 0.2120 0.2407 0.2374 0.0214  0.0230  0.0017  322 GLY A N   
182  C CA  . GLY A 30 ? 0.2295 0.2528 0.2419 0.0235  0.0165  0.0055  322 GLY A CA  
183  C C   . GLY A 30 ? 0.2198 0.2446 0.2340 0.0306  0.0097  0.0008  322 GLY A C   
184  O O   . GLY A 30 ? 0.2364 0.2510 0.2373 0.0322  0.0061  0.0042  322 GLY A O   
185  N N   . GLY A 31 ? 0.2117 0.2460 0.2389 0.0352  0.0068  -0.0066 323 GLY A N   
186  C CA  . GLY A 31 ? 0.2238 0.2573 0.2476 0.0465  -0.0023 -0.0122 323 GLY A CA  
187  C C   . GLY A 31 ? 0.2383 0.2607 0.2433 0.0516  -0.0070 -0.0057 323 GLY A C   
188  O O   . GLY A 31 ? 0.2345 0.2589 0.2396 0.0489  -0.0053 -0.0022 323 GLY A O   
189  N N   . ARG A 32 ? 0.2492 0.2583 0.2367 0.0619  -0.0123 -0.0056 324 ARG A N   
190  C CA  . ARG A 32 ? 0.2833 0.2750 0.2463 0.0696  -0.0140 0.0006  324 ARG A CA  
191  C C   . ARG A 32 ? 0.2767 0.2697 0.2343 0.0859  -0.0253 -0.0088 324 ARG A C   
192  O O   . ARG A 32 ? 0.3030 0.2768 0.2328 0.0963  -0.0267 -0.0040 324 ARG A O   
193  C CB  . ARG A 32 ? 0.3085 0.2759 0.2484 0.0711  -0.0109 0.0075  324 ARG A CB  
194  C CG  . ARG A 32 ? 0.3256 0.2906 0.2697 0.0546  -0.0023 0.0151  324 ARG A CG  
195  C CD  . ARG A 32 ? 0.3575 0.2970 0.2821 0.0546  -0.0003 0.0183  324 ARG A CD  
196  N NE  . ARG A 32 ? 0.3861 0.3251 0.3176 0.0404  0.0030  0.0198  324 ARG A NE  
197  C CZ  . ARG A 32 ? 0.3898 0.3306 0.3276 0.0259  0.0081  0.0256  324 ARG A CZ  
198  N NH1 . ARG A 32 ? 0.3905 0.3368 0.3319 0.0227  0.0135  0.0316  324 ARG A NH1 
199  N NH2 . ARG A 32 ? 0.3881 0.3266 0.3295 0.0159  0.0071  0.0237  324 ARG A NH2 
200  N N   . GLN A 33 ? 0.2595 0.2738 0.2428 0.0891  -0.0334 -0.0233 325 GLN A N   
201  C CA  . GLN A 33 ? 0.2725 0.2920 0.2553 0.1055  -0.0487 -0.0366 325 GLN A CA  
202  C C   . GLN A 33 ? 0.2616 0.2792 0.2384 0.1052  -0.0503 -0.0366 325 GLN A C   
203  O O   . GLN A 33 ? 0.2536 0.2751 0.2400 0.0906  -0.0397 -0.0299 325 GLN A O   
204  C CB  . GLN A 33 ? 0.2769 0.3249 0.2968 0.1076  -0.0570 -0.0548 325 GLN A CB  
205  C CG  . GLN A 33 ? 0.2385 0.3098 0.2964 0.0910  -0.0513 -0.0626 325 GLN A CG  
206  C CD  . GLN A 33 ? 0.2186 0.2903 0.2863 0.0720  -0.0327 -0.0522 325 GLN A CD  
207  O OE1 . GLN A 33 ? 0.2385 0.2942 0.2853 0.0679  -0.0245 -0.0379 325 GLN A OE1 
208  N NE2 . GLN A 33 ? 0.2452 0.3345 0.3455 0.0604  -0.0261 -0.0608 325 GLN A NE2 
209  N N   . ASP A 34 ? 0.3072 0.3164 0.2647 0.1240  -0.0647 -0.0448 326 ASP A N   
210  C CA  . ASP A 34 ? 0.3376 0.3430 0.2861 0.1275  -0.0691 -0.0483 326 ASP A CA  
211  C C   . ASP A 34 ? 0.3375 0.3288 0.2696 0.1174  -0.0516 -0.0305 326 ASP A C   
212  O O   . ASP A 34 ? 0.3188 0.3190 0.2665 0.1068  -0.0466 -0.0311 326 ASP A O   
213  C CB  . ASP A 34 ? 0.3251 0.3567 0.3140 0.1182  -0.0759 -0.0654 326 ASP A CB  
214  C CG  . ASP A 34 ? 0.3363 0.3907 0.3530 0.1271  -0.0943 -0.0877 326 ASP A CG  
215  O OD1 . ASP A 34 ? 0.3739 0.4199 0.3676 0.1496  -0.1101 -0.0938 326 ASP A OD1 
216  O OD2 . ASP A 34 ? 0.3435 0.4235 0.4049 0.1123  -0.0922 -0.0995 326 ASP A OD2 
217  N N   . PRO A 35 ? 0.3571 0.3265 0.2599 0.1196  -0.0405 -0.0146 327 PRO A N   
218  C CA  . PRO A 35 ? 0.3422 0.3061 0.2391 0.1092  -0.0235 0.0000  327 PRO A CA  
219  C C   . PRO A 35 ? 0.3559 0.3125 0.2361 0.1180  -0.0237 -0.0010 327 PRO A C   
220  O O   . PRO A 35 ? 0.3587 0.3207 0.2461 0.1090  -0.0116 0.0069  327 PRO A O   
221  C CB  . PRO A 35 ? 0.3697 0.3104 0.2403 0.1107  -0.0125 0.0136  327 PRO A CB  
222  C CG  . PRO A 35 ? 0.4060 0.3274 0.2488 0.1311  -0.0254 0.0069  327 PRO A CG  
223  C CD  . PRO A 35 ? 0.3894 0.3374 0.2646 0.1319  -0.0423 -0.0105 327 PRO A CD  
224  N N   . ASP A 36 ? 0.3887 0.3342 0.2475 0.1367  -0.0385 -0.0122 328 ASP A N   
225  C CA  . ASP A 36 ? 0.4319 0.3671 0.2705 0.1475  -0.0412 -0.0161 328 ASP A CA  
226  C C   . ASP A 36 ? 0.4013 0.3565 0.2725 0.1372  -0.0475 -0.0284 328 ASP A C   
227  O O   . ASP A 36 ? 0.4214 0.3676 0.2786 0.1442  -0.0496 -0.0327 328 ASP A O   
228  C CB  . ASP A 36 ? 0.5201 0.4358 0.3233 0.1727  -0.0596 -0.0275 328 ASP A CB  
229  C CG  . ASP A 36 ? 0.6143 0.5483 0.4415 0.1775  -0.0828 -0.0471 328 ASP A CG  
230  O OD1 . ASP A 36 ? 0.6013 0.5492 0.4526 0.1683  -0.0808 -0.0455 328 ASP A OD1 
231  O OD2 . ASP A 36 ? 0.7147 0.6494 0.5365 0.1920  -0.1039 -0.0658 328 ASP A OD2 
232  N N   . LYS A 37 ? 0.3485 0.3267 0.2600 0.1215  -0.0496 -0.0344 329 LYS A N   
233  C CA  . LYS A 37 ? 0.3458 0.3378 0.2876 0.1088  -0.0506 -0.0438 329 LYS A CA  
234  C C   . LYS A 37 ? 0.2858 0.2863 0.2468 0.0909  -0.0337 -0.0311 329 LYS A C   
235  O O   . LYS A 37 ? 0.3173 0.3257 0.3025 0.0790  -0.0316 -0.0371 329 LYS A O   
236  C CB  . LYS A 37 ? 0.3656 0.3754 0.3378 0.1066  -0.0660 -0.0637 329 LYS A CB  
237  C CG  . LYS A 37 ? 0.4371 0.4411 0.3923 0.1266  -0.0877 -0.0803 329 LYS A CG  
238  C CD  . LYS A 37 ? 0.4963 0.5254 0.4893 0.1257  -0.1049 -0.1029 329 LYS A CD  
239  C CE  . LYS A 37 ? 0.5851 0.6110 0.5668 0.1439  -0.1300 -0.1241 329 LYS A CE  
240  N NZ  . LYS A 37 ? 0.6255 0.6827 0.6514 0.1433  -0.1476 -0.1479 329 LYS A NZ  
241  N N   . GLN A 38 ? 0.2777 0.2751 0.2276 0.0892  -0.0221 -0.0150 330 GLN A N   
242  C CA  . GLN A 38 ? 0.2646 0.2702 0.2291 0.0758  -0.0096 -0.0044 330 GLN A CA  
243  C C   . GLN A 38 ? 0.2845 0.2843 0.2350 0.0802  -0.0004 0.0049  330 GLN A C   
244  O O   . GLN A 38 ? 0.3241 0.3173 0.2566 0.0869  0.0059  0.0134  330 GLN A O   
245  C CB  . GLN A 38 ? 0.2728 0.2828 0.2415 0.0691  -0.0045 0.0040  330 GLN A CB  
246  C CG  . GLN A 38 ? 0.2667 0.2819 0.2469 0.0679  -0.0123 -0.0047 330 GLN A CG  
247  C CD  . GLN A 38 ? 0.2525 0.2700 0.2375 0.0595  -0.0065 0.0026  330 GLN A CD  
248  O OE1 . GLN A 38 ? 0.2723 0.2937 0.2630 0.0503  0.0011  0.0105  330 GLN A OE1 
249  N NE2 . GLN A 38 ? 0.2620 0.2758 0.2428 0.0649  -0.0120 -0.0012 330 GLN A NE2 
250  N N   . LEU A 39 ? 0.2957 0.2965 0.2542 0.0769  0.0020  0.0034  331 LEU A N   
251  C CA  . LEU A 39 ? 0.2880 0.2860 0.2365 0.0830  0.0106  0.0112  331 LEU A CA  
252  C C   . LEU A 39 ? 0.2922 0.3046 0.2522 0.0766  0.0198  0.0232  331 LEU A C   
253  O O   . LEU A 39 ? 0.2700 0.2896 0.2447 0.0670  0.0188  0.0239  331 LEU A O   
254  C CB  . LEU A 39 ? 0.3054 0.2956 0.2571 0.0821  0.0094  0.0049  331 LEU A CB  
255  C CG  . LEU A 39 ? 0.3123 0.2900 0.2615 0.0838  -0.0011 -0.0109 331 LEU A CG  
256  C CD1 . LEU A 39 ? 0.3596 0.3224 0.3069 0.0829  0.0014  -0.0153 331 LEU A CD1 
257  C CD2 . LEU A 39 ? 0.3517 0.3206 0.2766 0.0988  -0.0077 -0.0151 331 LEU A CD2 
258  N N   . MET A 40 ? 0.2940 0.3107 0.2478 0.0829  0.0290  0.0314  332 MET A N   
259  C CA  . MET A 40 ? 0.2743 0.3099 0.2456 0.0773  0.0360  0.0396  332 MET A CA  
260  C C   . MET A 40 ? 0.2827 0.3241 0.2580 0.0844  0.0380  0.0407  332 MET A C   
261  O O   . MET A 40 ? 0.3010 0.3362 0.2637 0.0963  0.0429  0.0407  332 MET A O   
262  C CB  . MET A 40 ? 0.3129 0.3541 0.2832 0.0778  0.0476  0.0471  332 MET A CB  
263  C CG  . MET A 40 ? 0.3313 0.3583 0.2885 0.0746  0.0475  0.0477  332 MET A CG  
264  S SD  . MET A 40 ? 0.3333 0.3621 0.3029 0.0613  0.0371  0.0441  332 MET A SD  
265  C CE  . MET A 40 ? 0.3633 0.4156 0.3608 0.0487  0.0429  0.0499  332 MET A CE  
266  N N   . CYS A 41 ? 0.2670 0.3178 0.2556 0.0794  0.0343  0.0417  333 CYS A N   
267  C CA  . CYS A 41 ? 0.2543 0.3097 0.2440 0.0894  0.0352  0.0434  333 CYS A CA  
268  C C   . CYS A 41 ? 0.2600 0.3400 0.2642 0.0955  0.0428  0.0482  333 CYS A C   
269  O O   . CYS A 41 ? 0.2623 0.3635 0.2871 0.0870  0.0442  0.0505  333 CYS A O   
270  C CB  . CYS A 41 ? 0.2515 0.3070 0.2452 0.0857  0.0286  0.0436  333 CYS A CB  
271  S SG  . CYS A 41 ? 0.2710 0.3260 0.2583 0.1029  0.0275  0.0459  333 CYS A SG  
272  N N   . ASP A 42 ? 0.2729 0.3520 0.2698 0.1108  0.0483  0.0488  334 ASP A N   
273  C CA  . ASP A 42 ? 0.2843 0.3906 0.2995 0.1178  0.0586  0.0524  334 ASP A CA  
274  C C   . ASP A 42 ? 0.2828 0.4181 0.3236 0.1218  0.0527  0.0523  334 ASP A C   
275  O O   . ASP A 42 ? 0.3182 0.4841 0.3837 0.1270  0.0602  0.0532  334 ASP A O   
276  C CB  . ASP A 42 ? 0.3088 0.4018 0.3035 0.1343  0.0679  0.0524  334 ASP A CB  
277  C CG  . ASP A 42 ? 0.3634 0.4367 0.3369 0.1318  0.0750  0.0528  334 ASP A CG  
278  O OD1 . ASP A 42 ? 0.4143 0.4994 0.3989 0.1228  0.0842  0.0574  334 ASP A OD1 
279  O OD2 . ASP A 42 ? 0.3919 0.4356 0.3364 0.1382  0.0700  0.0478  334 ASP A OD2 
280  N N   . GLU A 43 ? 0.2692 0.3952 0.3037 0.1211  0.0397  0.0503  335 GLU A N   
281  C CA  . GLU A 43 ? 0.2747 0.4255 0.3287 0.1255  0.0299  0.0489  335 GLU A CA  
282  C C   . GLU A 43 ? 0.2571 0.4196 0.3273 0.1076  0.0225  0.0471  335 GLU A C   
283  O O   . GLU A 43 ? 0.2814 0.4780 0.3843 0.1026  0.0216  0.0447  335 GLU A O   
284  C CB  . GLU A 43 ? 0.2974 0.4250 0.3259 0.1410  0.0212  0.0486  335 GLU A CB  
285  C CG  . GLU A 43 ? 0.3340 0.4854 0.3771 0.1491  0.0077  0.0462  335 GLU A CG  
286  C CD  . GLU A 43 ? 0.3893 0.5172 0.4031 0.1701  -0.0007 0.0470  335 GLU A CD  
287  O OE1 . GLU A 43 ? 0.3615 0.4539 0.3456 0.1776  0.0064  0.0497  335 GLU A OE1 
288  O OE2 . GLU A 43 ? 0.4109 0.5520 0.4284 0.1787  -0.0149 0.0443  335 GLU A OE2 
289  N N   . CYS A 44 ? 0.2659 0.4012 0.3160 0.0978  0.0180  0.0471  336 CYS A N   
290  C CA  . CYS A 44 ? 0.2524 0.3941 0.3113 0.0853  0.0094  0.0447  336 CYS A CA  
291  C C   . CYS A 44 ? 0.2376 0.3784 0.3044 0.0677  0.0158  0.0451  336 CYS A C   
292  O O   . CYS A 44 ? 0.2408 0.3890 0.3184 0.0567  0.0100  0.0425  336 CYS A O   
293  C CB  . CYS A 44 ? 0.2757 0.3886 0.3074 0.0864  0.0024  0.0445  336 CYS A CB  
294  S SG  . CYS A 44 ? 0.2726 0.3499 0.2815 0.0779  0.0109  0.0453  336 CYS A SG  
295  N N   . ASP A 45 ? 0.2498 0.3799 0.3085 0.0676  0.0269  0.0478  337 ASP A N   
296  C CA  . ASP A 45 ? 0.2494 0.3731 0.3081 0.0558  0.0340  0.0492  337 ASP A CA  
297  C C   . ASP A 45 ? 0.2551 0.3594 0.3010 0.0469  0.0273  0.0469  337 ASP A C   
298  O O   . ASP A 45 ? 0.2661 0.3651 0.3122 0.0376  0.0305  0.0475  337 ASP A O   
299  C CB  . ASP A 45 ? 0.2657 0.4139 0.3522 0.0464  0.0405  0.0501  337 ASP A CB  
300  C CG  . ASP A 45 ? 0.3036 0.4400 0.3839 0.0393  0.0549  0.0545  337 ASP A CG  
301  O OD1 . ASP A 45 ? 0.3166 0.4351 0.3740 0.0489  0.0621  0.0574  337 ASP A OD1 
302  O OD2 . ASP A 45 ? 0.3688 0.5107 0.4643 0.0251  0.0584  0.0545  337 ASP A OD2 
303  N N   . MET A 46 ? 0.2477 0.3382 0.2800 0.0510  0.0207  0.0446  338 MET A N   
304  C CA  . MET A 46 ? 0.2304 0.3027 0.2513 0.0445  0.0179  0.0417  338 MET A CA  
305  C C   . MET A 46 ? 0.2599 0.3174 0.2694 0.0477  0.0214  0.0394  338 MET A C   
306  O O   . MET A 46 ? 0.2465 0.3007 0.2500 0.0562  0.0245  0.0396  338 MET A O   
307  C CB  . MET A 46 ? 0.2330 0.2949 0.2447 0.0462  0.0135  0.0402  338 MET A CB  
308  C CG  . MET A 46 ? 0.2648 0.3376 0.2811 0.0460  0.0062  0.0404  338 MET A CG  
309  S SD  . MET A 46 ? 0.2833 0.3614 0.3083 0.0328  0.0017  0.0376  338 MET A SD  
310  C CE  . MET A 46 ? 0.3186 0.4224 0.3700 0.0273  0.0036  0.0383  338 MET A CE  
311  N N   . ALA A 47 ? 0.2395 0.2884 0.2459 0.0421  0.0192  0.0359  339 ALA A N   
312  C CA  . ALA A 47 ? 0.2756 0.3132 0.2734 0.0459  0.0180  0.0307  339 ALA A CA  
313  C C   . ALA A 47 ? 0.2324 0.2630 0.2328 0.0435  0.0153  0.0233  339 ALA A C   
314  O O   . ALA A 47 ? 0.2390 0.2697 0.2439 0.0374  0.0160  0.0233  339 ALA A O   
315  C CB  . ALA A 47 ? 0.2790 0.3126 0.2727 0.0437  0.0169  0.0306  339 ALA A CB  
316  N N   . PHE A 48 ? 0.2248 0.2482 0.2223 0.0479  0.0130  0.0161  340 PHE A N   
317  C CA  . PHE A 48 ? 0.2248 0.2426 0.2309 0.0428  0.0128  0.0075  340 PHE A CA  
318  C C   . PHE A 48 ? 0.2567 0.2739 0.2673 0.0458  0.0050  -0.0050 340 PHE A C   
319  O O   . PHE A 48 ? 0.2649 0.2754 0.2652 0.0536  0.0011  -0.0084 340 PHE A O   
320  C CB  . PHE A 48 ? 0.2592 0.2654 0.2593 0.0443  0.0177  0.0089  340 PHE A CB  
321  C CG  . PHE A 48 ? 0.2487 0.2542 0.2429 0.0446  0.0228  0.0190  340 PHE A CG  
322  C CD1 . PHE A 48 ? 0.2570 0.2719 0.2466 0.0523  0.0221  0.0266  340 PHE A CD1 
323  C CD2 . PHE A 48 ? 0.2585 0.2528 0.2506 0.0391  0.0287  0.0200  340 PHE A CD2 
324  C CE1 . PHE A 48 ? 0.2543 0.2730 0.2415 0.0546  0.0227  0.0330  340 PHE A CE1 
325  C CE2 . PHE A 48 ? 0.2921 0.2830 0.2724 0.0438  0.0302  0.0284  340 PHE A CE2 
326  C CZ  . PHE A 48 ? 0.2445 0.2503 0.2246 0.0517  0.0249  0.0338  340 PHE A CZ  
327  N N   . HIS A 49 ? 0.2336 0.2584 0.2601 0.0410  0.0017  -0.0138 341 HIS A N   
328  C CA  . HIS A 49 ? 0.2494 0.2781 0.2861 0.0446  -0.0086 -0.0294 341 HIS A CA  
329  C C   . HIS A 49 ? 0.2565 0.2768 0.2996 0.0402  -0.0075 -0.0377 341 HIS A C   
330  O O   . HIS A 49 ? 0.2621 0.2761 0.3133 0.0295  0.0037  -0.0354 341 HIS A O   
331  C CB  . HIS A 49 ? 0.2374 0.2807 0.2994 0.0392  -0.0106 -0.0400 341 HIS A CB  
332  C CG  . HIS A 49 ? 0.2617 0.3101 0.3167 0.0463  -0.0149 -0.0363 341 HIS A CG  
333  N ND1 . HIS A 49 ? 0.2574 0.3092 0.3171 0.0405  -0.0071 -0.0305 341 HIS A ND1 
334  C CD2 . HIS A 49 ? 0.2494 0.2955 0.2891 0.0604  -0.0267 -0.0390 341 HIS A CD2 
335  C CE1 . HIS A 49 ? 0.2454 0.2971 0.2952 0.0497  -0.0140 -0.0301 341 HIS A CE1 
336  N NE2 . HIS A 49 ? 0.2652 0.3120 0.3013 0.0621  -0.0252 -0.0341 341 HIS A NE2 
337  N N   . ILE A 50 ? 0.2800 0.2964 0.3169 0.0488  -0.0192 -0.0485 342 ILE A N   
338  C CA  . ILE A 50 ? 0.2940 0.2995 0.3367 0.0443  -0.0203 -0.0595 342 ILE A CA  
339  C C   . ILE A 50 ? 0.3067 0.3207 0.3854 0.0273  -0.0154 -0.0720 342 ILE A C   
340  O O   . ILE A 50 ? 0.3273 0.3265 0.4118 0.0167  -0.0062 -0.0747 342 ILE A O   
341  C CB  . ILE A 50 ? 0.3175 0.3165 0.3452 0.0581  -0.0368 -0.0720 342 ILE A CB  
342  C CG1 . ILE A 50 ? 0.3304 0.3465 0.3715 0.0649  -0.0543 -0.0877 342 ILE A CG1 
343  C CG2 . ILE A 50 ? 0.3399 0.3246 0.3296 0.0732  -0.0339 -0.0576 342 ILE A CG2 
344  C CD1 . ILE A 50 ? 0.3778 0.3840 0.3987 0.0812  -0.0733 -0.1020 342 ILE A CD1 
345  N N   . TYR A 51 ? 0.2807 0.3170 0.3837 0.0249  -0.0192 -0.0792 343 TYR A N   
346  C CA  . TYR A 51 ? 0.2772 0.3271 0.4205 0.0089  -0.0123 -0.0924 343 TYR A CA  
347  C C   . TYR A 51 ? 0.2587 0.3052 0.4050 -0.0022 0.0093  -0.0787 343 TYR A C   
348  O O   . TYR A 51 ? 0.3043 0.3583 0.4822 -0.0169 0.0214  -0.0875 343 TYR A O   
349  C CB  . TYR A 51 ? 0.2701 0.3492 0.4409 0.0152  -0.0289 -0.1105 343 TYR A CB  
350  C CG  . TYR A 51 ? 0.2796 0.3662 0.4316 0.0312  -0.0368 -0.1017 343 TYR A CG  
351  C CD1 . TYR A 51 ? 0.2644 0.3557 0.4180 0.0274  -0.0240 -0.0901 343 TYR A CD1 
352  C CD2 . TYR A 51 ? 0.2998 0.3856 0.4310 0.0507  -0.0570 -0.1069 343 TYR A CD2 
353  C CE1 . TYR A 51 ? 0.2772 0.3700 0.4118 0.0410  -0.0306 -0.0828 343 TYR A CE1 
354  C CE2 . TYR A 51 ? 0.2991 0.3854 0.4103 0.0651  -0.0624 -0.0991 343 TYR A CE2 
355  C CZ  . TYR A 51 ? 0.3100 0.4002 0.4251 0.0593  -0.0493 -0.0876 343 TYR A CZ  
356  O OH  . TYR A 51 ? 0.3020 0.3884 0.3967 0.0727  -0.0545 -0.0812 343 TYR A OH  
357  N N   . CYS A 52 ? 0.2530 0.2873 0.3677 0.0041  0.0151  -0.0588 344 CYS A N   
358  C CA  . CYS A 52 ? 0.2389 0.2638 0.3460 -0.0028 0.0328  -0.0455 344 CYS A CA  
359  C C   . CYS A 52 ? 0.2885 0.2849 0.3767 -0.0072 0.0451  -0.0372 344 CYS A C   
360  O O   . CYS A 52 ? 0.3034 0.2850 0.3866 -0.0148 0.0621  -0.0305 344 CYS A O   
361  C CB  . CYS A 52 ? 0.2309 0.2597 0.3178 0.0062  0.0297  -0.0322 344 CYS A CB  
362  S SG  . CYS A 52 ? 0.2553 0.3079 0.3616 0.0093  0.0234  -0.0404 344 CYS A SG  
363  N N   . LEU A 53 ? 0.3029 0.2880 0.3754 -0.0001 0.0371  -0.0369 345 LEU A N   
364  C CA  . LEU A 53 ? 0.3340 0.2896 0.3862 -0.0011 0.0472  -0.0302 345 LEU A CA  
365  C C   . LEU A 53 ? 0.3648 0.3055 0.4363 -0.0178 0.0603  -0.0411 345 LEU A C   
366  O O   . LEU A 53 ? 0.3652 0.3236 0.4706 -0.0270 0.0559  -0.0580 345 LEU A O   
367  C CB  . LEU A 53 ? 0.3395 0.2890 0.3734 0.0117  0.0354  -0.0302 345 LEU A CB  
368  C CG  . LEU A 53 ? 0.3337 0.2952 0.3495 0.0261  0.0283  -0.0178 345 LEU A CG  
369  C CD1 . LEU A 53 ? 0.3681 0.3283 0.3719 0.0382  0.0175  -0.0221 345 LEU A CD1 
370  C CD2 . LEU A 53 ? 0.3695 0.3194 0.3647 0.0311  0.0368  -0.0023 345 LEU A CD2 
371  N N   . ASP A 54 ? 0.4046 0.3117 0.4544 -0.0211 0.0769  -0.0316 346 ASP A N   
372  C CA  . ASP A 54 ? 0.4685 0.3519 0.5309 -0.0386 0.0952  -0.0389 346 ASP A CA  
373  C C   . ASP A 54 ? 0.4924 0.3342 0.5233 -0.0343 0.0999  -0.0342 346 ASP A C   
374  O O   . ASP A 54 ? 0.5320 0.3488 0.5257 -0.0234 0.1074  -0.0176 346 ASP A O   
375  C CB  . ASP A 54 ? 0.5462 0.4188 0.6056 -0.0471 0.1178  -0.0299 346 ASP A CB  
376  C CG  . ASP A 54 ? 0.6523 0.4978 0.7259 -0.0677 0.1424  -0.0367 346 ASP A CG  
377  O OD1 . ASP A 54 ? 0.6735 0.5284 0.7824 -0.0809 0.1381  -0.0556 346 ASP A OD1 
378  O OD2 . ASP A 54 ? 0.8077 0.6204 0.8548 -0.0699 0.1654  -0.0236 346 ASP A OD2 
379  N N   . PRO A 55 ? 0.4793 0.3121 0.5228 -0.0408 0.0940  -0.0496 347 PRO A N   
380  C CA  . PRO A 55 ? 0.4714 0.3357 0.5602 -0.0519 0.0816  -0.0722 347 PRO A CA  
381  C C   . PRO A 55 ? 0.4241 0.3234 0.5143 -0.0350 0.0560  -0.0754 347 PRO A C   
382  O O   . PRO A 55 ? 0.4330 0.3283 0.4908 -0.0168 0.0484  -0.0627 347 PRO A O   
383  C CB  . PRO A 55 ? 0.5284 0.3643 0.6208 -0.0616 0.0817  -0.0872 347 PRO A CB  
384  C CG  . PRO A 55 ? 0.5503 0.3480 0.5911 -0.0448 0.0837  -0.0715 347 PRO A CG  
385  C CD  . PRO A 55 ? 0.5462 0.3353 0.5600 -0.0369 0.0982  -0.0481 347 PRO A CD  
386  N N   . PRO A 56 ? 0.4017 0.3357 0.5299 -0.0399 0.0430  -0.0931 348 PRO A N   
387  C CA  . PRO A 56 ? 0.3791 0.3399 0.5031 -0.0225 0.0202  -0.0959 348 PRO A CA  
388  C C   . PRO A 56 ? 0.4026 0.3525 0.5087 -0.0105 0.0020  -0.1057 348 PRO A C   
389  O O   . PRO A 56 ? 0.4332 0.3640 0.5457 -0.0193 0.0018  -0.1193 348 PRO A O   
390  C CB  . PRO A 56 ? 0.3721 0.3685 0.5424 -0.0312 0.0142  -0.1132 348 PRO A CB  
391  C CG  . PRO A 56 ? 0.4021 0.3910 0.6072 -0.0531 0.0237  -0.1311 348 PRO A CG  
392  C CD  . PRO A 56 ? 0.4323 0.3798 0.6095 -0.0613 0.0495  -0.1131 348 PRO A CD  
393  N N   . LEU A 57 ? 0.3914 0.3509 0.4736 0.0093  -0.0116 -0.0992 349 LEU A N   
394  C CA  . LEU A 57 ? 0.4231 0.3721 0.4812 0.0251  -0.0283 -0.1071 349 LEU A CA  
395  C C   . LEU A 57 ? 0.4221 0.3951 0.4977 0.0316  -0.0507 -0.1267 349 LEU A C   
396  O O   . LEU A 57 ? 0.4126 0.4098 0.5009 0.0340  -0.0535 -0.1240 349 LEU A O   
397  C CB  . LEU A 57 ? 0.4288 0.3708 0.4473 0.0436  -0.0255 -0.0865 349 LEU A CB  
398  C CG  . LEU A 57 ? 0.4634 0.3813 0.4592 0.0449  -0.0095 -0.0705 349 LEU A CG  
399  C CD1 . LEU A 57 ? 0.4842 0.3999 0.4921 0.0309  0.0077  -0.0596 349 LEU A CD1 
400  C CD2 . LEU A 57 ? 0.4776 0.3980 0.4440 0.0635  -0.0088 -0.0546 349 LEU A CD2 
401  N N   . SER A 58 ? 0.4765 0.4403 0.5486 0.0369  -0.0681 -0.1468 350 SER A N   
402  C CA  . SER A 58 ? 0.5008 0.4862 0.5864 0.0469  -0.0934 -0.1681 350 SER A CA  
403  C C   . SER A 58 ? 0.5047 0.4836 0.5434 0.0748  -0.1053 -0.1589 350 SER A C   
404  O O   . SER A 58 ? 0.5365 0.5311 0.5763 0.0882  -0.1244 -0.1701 350 SER A O   
405  C CB  . SER A 58 ? 0.5492 0.5308 0.6564 0.0397  -0.1099 -0.1976 350 SER A CB  
406  O OG  . SER A 58 ? 0.6373 0.5819 0.7079 0.0454  -0.1089 -0.1965 350 SER A OG  
407  N N   . SER A 59 ? 0.4856 0.4413 0.4830 0.0845  -0.0925 -0.1382 351 SER A N   
408  C CA  . SER A 59 ? 0.4992 0.4466 0.4529 0.1085  -0.0971 -0.1271 351 SER A CA  
409  C C   . SER A 59 ? 0.4667 0.4033 0.3967 0.1103  -0.0742 -0.1001 351 SER A C   
410  O O   . SER A 59 ? 0.4637 0.3967 0.4059 0.0970  -0.0590 -0.0918 351 SER A O   
411  C CB  . SER A 59 ? 0.5799 0.5068 0.5010 0.1276  -0.1163 -0.1434 351 SER A CB  
412  O OG  . SER A 59 ? 0.6046 0.5064 0.5096 0.1259  -0.1084 -0.1428 351 SER A OG  
413  N N   . VAL A 60 ? 0.4696 0.4013 0.3667 0.1272  -0.0715 -0.0868 352 VAL A N   
414  C CA  . VAL A 60 ? 0.4485 0.3747 0.3278 0.1298  -0.0508 -0.0640 352 VAL A CA  
415  C C   . VAL A 60 ? 0.4786 0.3821 0.3330 0.1391  -0.0469 -0.0653 352 VAL A C   
416  O O   . VAL A 60 ? 0.5377 0.4225 0.3617 0.1557  -0.0582 -0.0761 352 VAL A O   
417  C CB  . VAL A 60 ? 0.4488 0.3728 0.3006 0.1437  -0.0470 -0.0516 352 VAL A CB  
418  C CG1 . VAL A 60 ? 0.4597 0.3806 0.2971 0.1465  -0.0251 -0.0310 352 VAL A CG1 
419  C CG2 . VAL A 60 ? 0.4353 0.3774 0.3081 0.1357  -0.0496 -0.0492 352 VAL A CG2 
420  N N   . PRO A 61 ? 0.4667 0.3679 0.3285 0.1319  -0.0320 -0.0554 353 PRO A N   
421  C CA  . PRO A 61 ? 0.5015 0.3792 0.3373 0.1437  -0.0279 -0.0566 353 PRO A CA  
422  C C   . PRO A 61 ? 0.5157 0.3820 0.3113 0.1664  -0.0228 -0.0496 353 PRO A C   
423  O O   . PRO A 61 ? 0.5208 0.3997 0.3126 0.1700  -0.0112 -0.0342 353 PRO A O   
424  C CB  . PRO A 61 ? 0.4759 0.3589 0.3265 0.1352  -0.0112 -0.0422 353 PRO A CB  
425  C CG  . PRO A 61 ? 0.4605 0.3618 0.3464 0.1149  -0.0115 -0.0415 353 PRO A CG  
426  C CD  . PRO A 61 ? 0.4540 0.3718 0.3443 0.1156  -0.0198 -0.0433 353 PRO A CD  
427  N N   . SER A 62 ? 0.5587 0.3985 0.3238 0.1809  -0.0289 -0.0606 354 SER A N   
428  C CA  . SER A 62 ? 0.6039 0.4269 0.3256 0.2045  -0.0200 -0.0538 354 SER A CA  
429  C C   . SER A 62 ? 0.5653 0.3886 0.2863 0.2090  0.0000  -0.0406 354 SER A C   
430  O O   . SER A 62 ? 0.6225 0.4215 0.3196 0.2213  -0.0003 -0.0477 354 SER A O   
431  C CB  . SER A 62 ? 0.7022 0.4941 0.3871 0.2207  -0.0372 -0.0734 354 SER A CB  
432  O OG  . SER A 62 ? 0.7560 0.5505 0.4377 0.2225  -0.0567 -0.0850 354 SER A OG  
433  N N   . GLU A 63 ? 0.5300 0.3808 0.2760 0.2011  0.0160  -0.0229 355 GLU A N   
434  C CA  . GLU A 63 ? 0.5152 0.3752 0.2704 0.2049  0.0321  -0.0115 355 GLU A CA  
435  C C   . GLU A 63 ? 0.5195 0.4058 0.2839 0.2076  0.0509  0.0054  355 GLU A C   
436  O O   . GLU A 63 ? 0.5237 0.4212 0.2955 0.1992  0.0509  0.0098  355 GLU A O   
437  C CB  . GLU A 63 ? 0.4769 0.3475 0.2658 0.1869  0.0287  -0.0110 355 GLU A CB  
438  C CG  . GLU A 63 ? 0.4999 0.3432 0.2847 0.1802  0.0148  -0.0275 355 GLU A CG  
439  C CD  . GLU A 63 ? 0.5254 0.3376 0.2825 0.1953  0.0169  -0.0332 355 GLU A CD  
440  O OE1 . GLU A 63 ? 0.5938 0.3773 0.3341 0.1959  0.0044  -0.0505 355 GLU A OE1 
441  O OE2 . GLU A 63 ? 0.5253 0.3403 0.2763 0.2086  0.0303  -0.0224 355 GLU A OE2 
442  N N   . ASP A 64 ? 0.5297 0.4263 0.2967 0.2186  0.0669  0.0141  356 ASP A N   
443  C CA  . ASP A 64 ? 0.5364 0.4615 0.3193 0.2196  0.0869  0.0283  356 ASP A CA  
444  C C   . ASP A 64 ? 0.4946 0.4527 0.3215 0.1989  0.0853  0.0349  356 ASP A C   
445  O O   . ASP A 64 ? 0.4809 0.4577 0.3223 0.1911  0.0958  0.0433  356 ASP A O   
446  C CB  . ASP A 64 ? 0.5628 0.4963 0.3439 0.2377  0.1037  0.0332  356 ASP A CB  
447  C CG  . ASP A 64 ? 0.6514 0.5521 0.3847 0.2612  0.1101  0.0284  356 ASP A CG  
448  O OD1 . ASP A 64 ? 0.6704 0.5433 0.3698 0.2642  0.1022  0.0222  356 ASP A OD1 
449  O OD2 . ASP A 64 ? 0.6778 0.5803 0.4069 0.2778  0.1207  0.0296  356 ASP A OD2 
450  N N   . GLU A 65 ? 0.4194 0.3801 0.2638 0.1908  0.0736  0.0311  357 GLU A N   
451  C CA  . GLU A 65 ? 0.3873 0.3754 0.2677 0.1746  0.0708  0.0363  357 GLU A CA  
452  C C   . GLU A 65 ? 0.3732 0.3437 0.2537 0.1638  0.0553  0.0286  357 GLU A C   
453  O O   . GLU A 65 ? 0.3939 0.3358 0.2532 0.1695  0.0492  0.0198  357 GLU A O   
454  C CB  . GLU A 65 ? 0.3943 0.4110 0.2995 0.1809  0.0783  0.0428  357 GLU A CB  
455  C CG  . GLU A 65 ? 0.4501 0.4963 0.3721 0.1858  0.0965  0.0502  357 GLU A CG  
456  C CD  . GLU A 65 ? 0.5634 0.6014 0.4643 0.2072  0.1109  0.0507  357 GLU A CD  
457  O OE1 . GLU A 65 ? 0.5813 0.6326 0.4861 0.2094  0.1298  0.0567  357 GLU A OE1 
458  O OE2 . GLU A 65 ? 0.5866 0.6040 0.4670 0.2223  0.1057  0.0456  357 GLU A OE2 
459  N N   . TRP A 66 ? 0.3343 0.3204 0.2383 0.1478  0.0505  0.0313  358 TRP A N   
460  C CA  . TRP A 66 ? 0.3244 0.2964 0.2316 0.1365  0.0407  0.0258  358 TRP A CA  
461  C C   . TRP A 66 ? 0.3094 0.3008 0.2376 0.1295  0.0406  0.0327  358 TRP A C   
462  O O   . TRP A 66 ? 0.3045 0.3224 0.2509 0.1253  0.0433  0.0384  358 TRP A O   
463  C CB  . TRP A 66 ? 0.3178 0.2827 0.2256 0.1241  0.0325  0.0182  358 TRP A CB  
464  C CG  . TRP A 66 ? 0.3190 0.2737 0.2363 0.1104  0.0264  0.0122  358 TRP A CG  
465  C CD1 . TRP A 66 ? 0.3383 0.2676 0.2475 0.1081  0.0226  0.0020  358 TRP A CD1 
466  C CD2 . TRP A 66 ? 0.3182 0.2860 0.2548 0.0962  0.0253  0.0153  358 TRP A CD2 
467  N NE1 . TRP A 66 ? 0.3486 0.2756 0.2730 0.0925  0.0221  -0.0003 358 TRP A NE1 
468  C CE2 . TRP A 66 ? 0.3176 0.2673 0.2566 0.0865  0.0235  0.0077  358 TRP A CE2 
469  C CE3 . TRP A 66 ? 0.2969 0.2876 0.2480 0.0905  0.0267  0.0230  358 TRP A CE3 
470  C CZ2 . TRP A 66 ? 0.3219 0.2766 0.2755 0.0731  0.0247  0.0086  358 TRP A CZ2 
471  C CZ3 . TRP A 66 ? 0.2865 0.2803 0.2496 0.0780  0.0248  0.0228  358 TRP A CZ3 
472  C CH2 . TRP A 66 ? 0.2867 0.2628 0.2498 0.0706  0.0247  0.0163  358 TRP A CH2 
473  N N   . TYR A 67 ? 0.3229 0.2971 0.2456 0.1286  0.0377  0.0315  359 TYR A N   
474  C CA  . TYR A 67 ? 0.3075 0.2919 0.2401 0.1261  0.0359  0.0372  359 TYR A CA  
475  C C   . TYR A 67 ? 0.3217 0.2846 0.2501 0.1120  0.0338  0.0340  359 TYR A C   
476  O O   . TYR A 67 ? 0.3543 0.2876 0.2688 0.1103  0.0355  0.0283  359 TYR A O   
477  C CB  . TYR A 67 ? 0.3294 0.3096 0.2515 0.1451  0.0373  0.0410  359 TYR A CB  
478  C CG  . TYR A 67 ? 0.3187 0.3257 0.2512 0.1586  0.0421  0.0432  359 TYR A CG  
479  C CD1 . TYR A 67 ? 0.3110 0.3580 0.2720 0.1565  0.0424  0.0469  359 TYR A CD1 
480  C CD2 . TYR A 67 ? 0.3381 0.3298 0.2530 0.1719  0.0477  0.0404  359 TYR A CD2 
481  C CE1 . TYR A 67 ? 0.3203 0.3941 0.2961 0.1668  0.0508  0.0486  359 TYR A CE1 
482  C CE2 . TYR A 67 ? 0.3479 0.3641 0.2721 0.1846  0.0560  0.0429  359 TYR A CE2 
483  C CZ  . TYR A 67 ? 0.3288 0.3875 0.2855 0.1817  0.0590  0.0473  359 TYR A CZ  
484  O OH  . TYR A 67 ? 0.3363 0.4210 0.3068 0.1928  0.0711  0.0495  359 TYR A OH  
485  N N   . CYS A 68 ? 0.3061 0.2839 0.2472 0.1025  0.0314  0.0373  360 CYS A N   
486  C CA  . CYS A 68 ? 0.3203 0.2831 0.2608 0.0886  0.0323  0.0347  360 CYS A CA  
487  C C   . CYS A 68 ? 0.3251 0.2577 0.2447 0.0928  0.0369  0.0378  360 CYS A C   
488  O O   . CYS A 68 ? 0.3299 0.2553 0.2341 0.1091  0.0363  0.0428  360 CYS A O   
489  C CB  . CYS A 68 ? 0.2977 0.2833 0.2539 0.0793  0.0287  0.0369  360 CYS A CB  
490  S SG  . CYS A 68 ? 0.3123 0.3052 0.2636 0.0864  0.0247  0.0439  360 CYS A SG  
491  N N   . PRO A 69 ? 0.3353 0.2450 0.2510 0.0799  0.0435  0.0348  361 PRO A N   
492  C CA  . PRO A 69 ? 0.3925 0.2652 0.2825 0.0831  0.0523  0.0391  361 PRO A CA  
493  C C   . PRO A 69 ? 0.3938 0.2656 0.2652 0.0968  0.0491  0.0486  361 PRO A C   
494  O O   . PRO A 69 ? 0.4429 0.2824 0.2840 0.1097  0.0533  0.0539  361 PRO A O   
495  C CB  . PRO A 69 ? 0.4117 0.2711 0.3107 0.0631  0.0623  0.0340  361 PRO A CB  
496  C CG  . PRO A 69 ? 0.3749 0.2604 0.3035 0.0526  0.0559  0.0235  361 PRO A CG  
497  C CD  . PRO A 69 ? 0.3344 0.2533 0.2708 0.0625  0.0442  0.0269  361 PRO A CD  
498  N N   . GLU A 70 ? 0.3612 0.2653 0.2486 0.0947  0.0408  0.0497  362 GLU A N   
499  C CA  . GLU A 70 ? 0.3750 0.2826 0.2477 0.1082  0.0334  0.0555  362 GLU A CA  
500  C C   . GLU A 70 ? 0.3611 0.2843 0.2335 0.1287  0.0241  0.0571  362 GLU A C   
501  O O   . GLU A 70 ? 0.3957 0.3034 0.2430 0.1469  0.0199  0.0612  362 GLU A O   
502  C CB  . GLU A 70 ? 0.3755 0.3115 0.2669 0.0987  0.0263  0.0538  362 GLU A CB  
503  C CG  . GLU A 70 ? 0.3884 0.3086 0.2792 0.0816  0.0369  0.0518  362 GLU A CG  
504  C CD  . GLU A 70 ? 0.3914 0.3374 0.3002 0.0725  0.0303  0.0491  362 GLU A CD  
505  O OE1 . GLU A 70 ? 0.3746 0.3388 0.2844 0.0797  0.0181  0.0499  362 GLU A OE1 
506  O OE2 . GLU A 70 ? 0.3997 0.3463 0.3220 0.0581  0.0373  0.0447  362 GLU A OE2 
507  N N   . CYS A 71 ? 0.3488 0.3047 0.2491 0.1272  0.0210  0.0537  363 CYS A N   
508  C CA  . CYS A 71 ? 0.3426 0.3181 0.2484 0.1465  0.0153  0.0544  363 CYS A CA  
509  C C   . CYS A 71 ? 0.3857 0.3264 0.2635 0.1618  0.0212  0.0560  363 CYS A C   
510  O O   . CYS A 71 ? 0.4054 0.3486 0.2733 0.1845  0.0158  0.0579  363 CYS A O   
511  C CB  . CYS A 71 ? 0.3382 0.3527 0.2772 0.1413  0.0155  0.0515  363 CYS A CB  
512  S SG  . CYS A 71 ? 0.2878 0.3396 0.2584 0.1244  0.0091  0.0497  363 CYS A SG  
513  N N   . ARG A 72 ? 0.4046 0.3115 0.2694 0.1506  0.0313  0.0539  364 ARG A N   
514  C CA  . ARG A 72 ? 0.4447 0.3095 0.2791 0.1627  0.0378  0.0545  364 ARG A CA  
515  C C   . ARG A 72 ? 0.4915 0.3135 0.2880 0.1721  0.0413  0.0609  364 ARG A C   
516  O O   . ARG A 72 ? 0.5244 0.3075 0.2894 0.1871  0.0460  0.0632  364 ARG A O   
517  C CB  . ARG A 72 ? 0.4650 0.3066 0.3000 0.1464  0.0461  0.0475  364 ARG A CB  
518  C CG  . ARG A 72 ? 0.4410 0.3130 0.3008 0.1414  0.0428  0.0411  364 ARG A CG  
519  C CD  . ARG A 72 ? 0.4906 0.3378 0.3478 0.1287  0.0467  0.0311  364 ARG A CD  
520  N NE  . ARG A 72 ? 0.5081 0.3368 0.3694 0.1080  0.0520  0.0277  364 ARG A NE  
521  C CZ  . ARG A 72 ? 0.5075 0.3503 0.3921 0.0896  0.0505  0.0198  364 ARG A CZ  
522  N NH1 . ARG A 72 ? 0.5030 0.3777 0.4054 0.0892  0.0424  0.0161  364 ARG A NH1 
523  N NH2 . ARG A 72 ? 0.5524 0.3754 0.4412 0.0725  0.0585  0.0157  364 ARG A NH2 
524  N N   . ASN A 73 ? 0.5138 0.3380 0.3087 0.1641  0.0402  0.0639  365 ASN A N   
525  C CA  . ASN A 73 ? 0.5830 0.3619 0.3364 0.1716  0.0462  0.0708  365 ASN A CA  
526  C C   . ASN A 73 ? 0.6767 0.4022 0.4092 0.1593  0.0651  0.0706  365 ASN A C   
527  O O   . ASN A 73 ? 0.7337 0.4087 0.4241 0.1733  0.0729  0.0762  365 ASN A O   
528  C CB  . ASN A 73 ? 0.6108 0.3883 0.3395 0.2035  0.0338  0.0754  365 ASN A CB  
529  C CG  . ASN A 73 ? 0.6853 0.4212 0.3677 0.2146  0.0360  0.0828  365 ASN A CG  
530  O OD1 . ASN A 73 ? 0.7589 0.4651 0.4275 0.1971  0.0505  0.0856  365 ASN A OD1 
531  N ND2 . ASN A 73 ? 0.7336 0.4667 0.3906 0.2455  0.0222  0.0857  365 ASN A ND2 
532  N N   . ASP A 74 ? 0.7190 0.4580 0.4832 0.1331  0.0713  0.0629  366 ASP A N   
533  C CA  . ASP A 74 ? 0.8102 0.5136 0.5735 0.1134  0.0876  0.0577  366 ASP A CA  
534  C C   . ASP A 74 ? 0.8138 0.5536 0.6210 0.0947  0.0825  0.0455  366 ASP A C   
535  O O   . ASP A 74 ? 0.7704 0.5167 0.5827 0.1017  0.0757  0.0399  366 ASP A O   
536  C CB  . ASP A 74 ? 0.9811 0.6338 0.7110 0.1242  0.0954  0.0588  366 ASP A CB  
537  C CG  . ASP A 74 ? 1.1393 0.7322 0.8432 0.1105  0.1180  0.0611  366 ASP A CG  
538  O OD1 . ASP A 74 ? 1.2174 0.8072 0.9213 0.0989  0.1280  0.0651  366 ASP A OD1 
539  O OD2 . ASP A 74 ? 1.2691 0.8174 0.9526 0.1113  0.1268  0.0587  366 ASP A OD2 
540  N N   . ARG B 3  ? 0.7270 0.5972 0.6193 0.1037  0.0298  -0.0714 87  ARG B N   
541  C CA  . ARG B 3  ? 0.7169 0.6316 0.6303 0.1207  0.0443  -0.0806 87  ARG B CA  
542  C C   . ARG B 3  ? 0.6076 0.5248 0.5454 0.1302  0.0406  -0.0697 87  ARG B C   
543  O O   . ARG B 3  ? 0.6741 0.6317 0.6349 0.1412  0.0510  -0.0779 87  ARG B O   
544  C CB  . ARG B 3  ? 0.7954 0.7106 0.7084 0.1415  0.0441  -0.1155 87  ARG B CB  
545  C CG  . ARG B 3  ? 0.8380 0.8173 0.7636 0.1479  0.0663  -0.1344 87  ARG B CG  
546  C CD  . ARG B 3  ? 0.8842 0.8678 0.8233 0.1776  0.0621  -0.1760 87  ARG B CD  
547  N NE  . ARG B 3  ? 0.9789 0.8999 0.8908 0.1799  0.0431  -0.1854 87  ARG B NE  
548  C CZ  . ARG B 3  ? 1.0439 0.9033 0.9546 0.2016  0.0170  -0.1988 87  ARG B CZ  
549  N NH1 . ARG B 3  ? 1.0476 0.9086 0.9876 0.2341  0.0053  -0.2149 87  ARG B NH1 
550  N NH2 . ARG B 3  ? 1.1131 0.9072 0.9903 0.1907  0.0001  -0.1986 87  ARG B NH2 
551  N N   . VAL B 4  ? 0.5856 0.4616 0.5165 0.1232  0.0254  -0.0531 88  VAL B N   
552  C CA  . VAL B 4  ? 0.5090 0.3887 0.4563 0.1272  0.0214  -0.0389 88  VAL B CA  
553  C C   . VAL B 4  ? 0.4433 0.3691 0.4029 0.1142  0.0387  -0.0238 88  VAL B C   
554  O O   . VAL B 4  ? 0.5162 0.4546 0.4642 0.1003  0.0471  -0.0184 88  VAL B O   
555  C CB  . VAL B 4  ? 0.5354 0.3583 0.4551 0.1099  0.0047  -0.0238 88  VAL B CB  
556  C CG1 . VAL B 4  ? 0.4950 0.3223 0.4174 0.0976  0.0041  -0.0021 88  VAL B CG1 
557  C CG2 . VAL B 4  ? 0.5740 0.3332 0.4749 0.1259  -0.0191 -0.0370 88  VAL B CG2 
558  N N   . ARG B 5  ? 0.3867 0.3330 0.3667 0.1192  0.0406  -0.0178 89  ARG B N   
559  C CA  . ARG B 5  ? 0.3738 0.3495 0.3596 0.1057  0.0532  -0.0037 89  ARG B CA  
560  C C   . ARG B 5  ? 0.3379 0.2954 0.3117 0.0910  0.0478  0.0137  89  ARG B C   
561  O O   . ARG B 5  ? 0.3402 0.2706 0.3063 0.0877  0.0366  0.0185  89  ARG B O   
562  C CB  . ARG B 5  ? 0.4144 0.4176 0.4251 0.1111  0.0558  -0.0046 89  ARG B CB  
563  C CG  . ARG B 5  ? 0.4540 0.4946 0.4908 0.1269  0.0602  -0.0281 89  ARG B CG  
564  C CD  . ARG B 5  ? 0.4231 0.4946 0.4886 0.1297  0.0584  -0.0293 89  ARG B CD  
565  N NE  . ARG B 5  ? 0.4141 0.4565 0.4840 0.1443  0.0347  -0.0242 89  ARG B NE  
566  C CZ  . ARG B 5  ? 0.4276 0.4613 0.4949 0.1347  0.0285  -0.0074 89  ARG B CZ  
567  N NH1 . ARG B 5  ? 0.4379 0.4888 0.5037 0.1134  0.0430  0.0040  89  ARG B NH1 
568  N NH2 . ARG B 5  ? 0.4644 0.4654 0.5244 0.1457  0.0053  -0.0019 89  ARG B NH2 
569  N N   . THR B 6  ? 0.3304 0.3019 0.2982 0.0817  0.0544  0.0206  90  THR B N   
570  C CA  . THR B 6  ? 0.3323 0.3037 0.2986 0.0728  0.0505  0.0295  90  THR B CA  
571  C C   . THR B 6  ? 0.3142 0.2958 0.2895 0.0729  0.0531  0.0370  90  THR B C   
572  O O   . THR B 6  ? 0.3180 0.3064 0.2955 0.0739  0.0590  0.0384  90  THR B O   
573  C CB  . THR B 6  ? 0.3539 0.3320 0.3101 0.0688  0.0483  0.0265  90  THR B CB  
574  O OG1 . THR B 6  ? 0.3536 0.3362 0.3005 0.0730  0.0509  0.0294  90  THR B OG1 
575  C CG2 . THR B 6  ? 0.3797 0.3472 0.3252 0.0639  0.0449  0.0174  90  THR B CG2 
576  N N   . LEU B 7  ? 0.3107 0.2958 0.2890 0.0685  0.0494  0.0393  91  LEU B N   
577  C CA  . LEU B 7  ? 0.3049 0.2940 0.2889 0.0700  0.0494  0.0429  91  LEU B CA  
578  C C   . LEU B 7  ? 0.3137 0.2954 0.2864 0.0737  0.0477  0.0456  91  LEU B C   
579  O O   . LEU B 7  ? 0.3605 0.3326 0.3285 0.0705  0.0491  0.0511  91  LEU B O   
580  C CB  . LEU B 7  ? 0.2858 0.2863 0.2747 0.0663  0.0465  0.0383  91  LEU B CB  
581  C CG  . LEU B 7  ? 0.3128 0.3143 0.3069 0.0700  0.0444  0.0371  91  LEU B CG  
582  C CD1 . LEU B 7  ? 0.3218 0.3158 0.3184 0.0659  0.0464  0.0437  91  LEU B CD1 
583  C CD2 . LEU B 7  ? 0.2909 0.3159 0.2913 0.0673  0.0439  0.0248  91  LEU B CD2 
584  N N   . LEU B 8  ? 0.3321 0.3140 0.2952 0.0777  0.0424  0.0423  92  LEU B N   
585  C CA  . LEU B 8  ? 0.3645 0.3279 0.3048 0.0814  0.0348  0.0477  92  LEU B CA  
586  C C   . LEU B 8  ? 0.3843 0.3383 0.3065 0.0695  0.0457  0.0556  92  LEU B C   
587  O O   . LEU B 8  ? 0.4170 0.3485 0.3169 0.0615  0.0437  0.0652  92  LEU B O   
588  C CB  . LEU B 8  ? 0.3644 0.3338 0.2969 0.0890  0.0239  0.0413  92  LEU B CB  
589  C CG  . LEU B 8  ? 0.4509 0.3913 0.3501 0.0953  0.0083  0.0489  92  LEU B CG  
590  C CD1 . LEU B 8  ? 0.4612 0.3774 0.3579 0.1068  -0.0067 0.0508  92  LEU B CD1 
591  C CD2 . LEU B 8  ? 0.4681 0.4225 0.3640 0.1049  -0.0055 0.0395  92  LEU B CD2 
592  N N   . SER B 9  ? 0.3934 0.3649 0.3238 0.0665  0.0570  0.0490  93  SER B N   
593  C CA  . SER B 9  ? 0.4128 0.3939 0.3338 0.0554  0.0706  0.0481  93  SER B CA  
594  C C   . SER B 9  ? 0.4091 0.3969 0.3412 0.0453  0.0772  0.0518  93  SER B C   
595  O O   . SER B 9  ? 0.4364 0.4284 0.3511 0.0269  0.0872  0.0549  93  SER B O   
596  C CB  . SER B 9  ? 0.4122 0.4143 0.3471 0.0615  0.0784  0.0327  93  SER B CB  
597  O OG  . SER B 9  ? 0.3919 0.4046 0.3570 0.0702  0.0779  0.0259  93  SER B OG  
598  N N   . VAL B 10 ? 0.3879 0.3791 0.3455 0.0527  0.0722  0.0507  94  VAL B N   
599  C CA  . VAL B 10 ? 0.3856 0.3844 0.3549 0.0431  0.0754  0.0524  94  VAL B CA  
600  C C   . VAL B 10 ? 0.4210 0.3859 0.3639 0.0317  0.0689  0.0643  94  VAL B C   
601  O O   . VAL B 10 ? 0.4651 0.4282 0.3967 0.0105  0.0757  0.0683  94  VAL B O   
602  C CB  . VAL B 10 ? 0.3754 0.3827 0.3712 0.0538  0.0686  0.0483  94  VAL B CB  
603  C CG1 . VAL B 10 ? 0.3925 0.4081 0.3996 0.0439  0.0687  0.0488  94  VAL B CG1 
604  C CG2 . VAL B 10 ? 0.3699 0.3949 0.3832 0.0657  0.0687  0.0379  94  VAL B CG2 
605  N N   . LEU B 11 ? 0.3916 0.3308 0.3255 0.0454  0.0543  0.0668  95  LEU B N   
606  C CA  . LEU B 11 ? 0.4476 0.3453 0.3578 0.0447  0.0403  0.0736  95  LEU B CA  
607  C C   . LEU B 11 ? 0.5234 0.3828 0.3864 0.0282  0.0369  0.0871  95  LEU B C   
608  O O   . LEU B 11 ? 0.5989 0.4139 0.4332 0.0161  0.0275  0.0960  95  LEU B O   
609  C CB  . LEU B 11 ? 0.4550 0.3484 0.3733 0.0689  0.0245  0.0652  95  LEU B CB  
610  C CG  . LEU B 11 ? 0.4221 0.3475 0.3743 0.0761  0.0282  0.0531  95  LEU B CG  
611  C CD1 . LEU B 11 ? 0.4116 0.3482 0.3734 0.0953  0.0165  0.0392  95  LEU B CD1 
612  C CD2 . LEU B 11 ? 0.4439 0.3616 0.4009 0.0683  0.0289  0.0524  95  LEU B CD2 
613  N N   . LYS B 12 ? 0.5052 0.3752 0.3538 0.0261  0.0425  0.0885  96  LYS B N   
614  C CA  . LYS B 12 ? 0.6097 0.4417 0.4023 0.0071  0.0387  0.1029  96  LYS B CA  
615  C C   . LYS B 12 ? 0.6311 0.4805 0.4101 -0.0301 0.0618  0.1064  96  LYS B C   
616  O O   . LYS B 12 ? 0.7230 0.5351 0.4457 -0.0581 0.0610  0.1212  96  LYS B O   
617  C CB  . LYS B 12 ? 0.6313 0.4732 0.4120 0.0183  0.0355  0.1000  96  LYS B CB  
618  C CG  . LYS B 12 ? 0.7015 0.5309 0.4917 0.0499  0.0105  0.0947  96  LYS B CG  
619  C CD  . LYS B 12 ? 0.8074 0.6337 0.5721 0.0574  -0.0005 0.0946  96  LYS B CD  
620  C CE  . LYS B 12 ? 0.8575 0.7275 0.6347 0.0484  0.0215  0.0849  96  LYS B CE  
621  N NZ  . LYS B 12 ? 0.9398 0.7984 0.6770 0.0477  0.0112  0.0871  96  LYS B NZ  
622  N N   . ASP B 13 ? 0.5969 0.5043 0.4243 -0.0320 0.0808  0.0916  97  ASP B N   
623  C CA  . ASP B 13 ? 0.6271 0.5738 0.4561 -0.0650 0.1041  0.0861  97  ASP B CA  
624  C C   . ASP B 13 ? 0.6208 0.5644 0.4640 -0.0808 0.1034  0.0874  97  ASP B C   
625  O O   . ASP B 13 ? 0.5636 0.5399 0.4565 -0.0618 0.1022  0.0750  97  ASP B O   
626  C CB  . ASP B 13 ? 0.5833 0.6007 0.4603 -0.0498 0.1202  0.0626  97  ASP B CB  
627  C CG  . ASP B 13 ? 0.6111 0.6966 0.5098 -0.0736 0.1449  0.0442  97  ASP B CG  
628  O OD1 . ASP B 13 ? 0.6168 0.7093 0.5093 -0.1057 0.1525  0.0476  97  ASP B OD1 
629  O OD2 . ASP B 13 ? 0.6148 0.7494 0.5391 -0.0591 0.1556  0.0226  97  ASP B OD2 
630  N N   . PRO B 14 ? 0.6771 0.5785 0.4724 -0.1189 0.1029  0.1022  98  PRO B N   
631  C CA  . PRO B 14 ? 0.6958 0.5872 0.4996 -0.1378 0.1002  0.1025  98  PRO B CA  
632  C C   . PRO B 14 ? 0.6549 0.6334 0.5217 -0.1428 0.1184  0.0800  98  PRO B C   
633  O O   . PRO B 14 ? 0.5986 0.5810 0.4936 -0.1368 0.1102  0.0744  98  PRO B O   
634  C CB  . PRO B 14 ? 0.7964 0.6293 0.5262 -0.1893 0.1008  0.1223  98  PRO B CB  
635  C CG  . PRO B 14 ? 0.8394 0.6184 0.5134 -0.1803 0.0882  0.1387  98  PRO B CG  
636  C CD  . PRO B 14 ? 0.7617 0.6131 0.4829 -0.1492 0.1018  0.1210  98  PRO B CD  
637  N N   . ILE B 15 ? 0.6344 0.6856 0.5238 -0.1513 0.1409  0.0637  99  ILE B N   
638  C CA  . ILE B 15 ? 0.5818 0.7228 0.5341 -0.1516 0.1543  0.0371  99  ILE B CA  
639  C C   . ILE B 15 ? 0.5001 0.6580 0.5032 -0.0989 0.1392  0.0258  99  ILE B C   
640  O O   . ILE B 15 ? 0.4680 0.6536 0.5095 -0.0905 0.1319  0.0155  99  ILE B O   
641  C CB  . ILE B 15 ? 0.6146 0.8341 0.5766 -0.1746 0.1824  0.0164  99  ILE B CB  
642  C CG1 . ILE B 15 ? 0.6899 0.9054 0.6020 -0.2410 0.2008  0.0256  99  ILE B CG1 
643  C CG2 . ILE B 15 ? 0.5722 0.8927 0.6130 -0.1518 0.1890  -0.0199 99  ILE B CG2 
644  C CD1 . ILE B 15 ? 0.7260 1.0026 0.6231 -0.2695 0.2301  0.0104  99  ILE B CD1 
645  N N   . ALA B 16 ? 0.4873 0.6278 0.4852 -0.0684 0.1339  0.0276  100 ALA B N   
646  C CA  . ALA B 16 ? 0.4542 0.5943 0.4844 -0.0263 0.1184  0.0215  100 ALA B CA  
647  C C   . ALA B 16 ? 0.4478 0.5427 0.4726 -0.0188 0.1005  0.0349  100 ALA B C   
648  O O   . ALA B 16 ? 0.4290 0.5392 0.4833 -0.0009 0.0902  0.0279  100 ALA B O   
649  C CB  . ALA B 16 ? 0.4469 0.5652 0.4616 -0.0051 0.1156  0.0237  100 ALA B CB  
650  N N   . LYS B 17 ? 0.4538 0.4918 0.4375 -0.0312 0.0949  0.0522  101 LYS B N   
651  C CA  . LYS B 17 ? 0.4561 0.4550 0.4347 -0.0220 0.0787  0.0585  101 LYS B CA  
652  C C   . LYS B 17 ? 0.4556 0.4745 0.4534 -0.0379 0.0782  0.0519  101 LYS B C   
653  O O   . LYS B 17 ? 0.4176 0.4424 0.4351 -0.0225 0.0681  0.0466  101 LYS B O   
654  C CB  . LYS B 17 ? 0.5120 0.4449 0.4445 -0.0264 0.0678  0.0727  101 LYS B CB  
655  C CG  . LYS B 17 ? 0.5672 0.4702 0.5019 -0.0083 0.0509  0.0705  101 LYS B CG  
656  C CD  . LYS B 17 ? 0.6373 0.4741 0.5320 -0.0031 0.0331  0.0780  101 LYS B CD  
657  C CE  . LYS B 17 ? 0.6836 0.5112 0.5925 0.0183  0.0197  0.0659  101 LYS B CE  
658  N NZ  . LYS B 17 ? 0.7640 0.5319 0.6423 0.0342  -0.0026 0.0657  101 LYS B NZ  
659  N N   . MET B 18 ? 0.4882 0.5225 0.4783 -0.0732 0.0899  0.0508  102 MET B N   
660  C CA  . MET B 18 ? 0.5021 0.5613 0.5122 -0.0927 0.0890  0.0420  102 MET B CA  
661  C C   . MET B 18 ? 0.4380 0.5680 0.5034 -0.0708 0.0877  0.0230  102 MET B C   
662  O O   . MET B 18 ? 0.4435 0.5828 0.5272 -0.0661 0.0758  0.0170  102 MET B O   
663  C CB  . MET B 18 ? 0.5874 0.6539 0.5758 -0.1436 0.1037  0.0433  102 MET B CB  
664  C CG  . MET B 18 ? 0.6537 0.7373 0.6572 -0.1705 0.1005  0.0343  102 MET B CG  
665  S SD  . MET B 18 ? 0.7592 0.7627 0.7383 -0.1599 0.0752  0.0418  102 MET B SD  
666  C CE  . MET B 18 ? 0.8585 0.7535 0.7580 -0.1916 0.0683  0.0642  102 MET B CE  
667  N N   . ARG B 19 ? 0.4106 0.5855 0.4993 -0.0550 0.0959  0.0123  103 ARG B N   
668  C CA  . ARG B 19 ? 0.4069 0.6381 0.5441 -0.0277 0.0875  -0.0071 103 ARG B CA  
669  C C   . ARG B 19 ? 0.3791 0.5697 0.5108 0.0017  0.0658  0.0020  103 ARG B C   
670  O O   . ARG B 19 ? 0.3715 0.5836 0.5261 0.0142  0.0503  -0.0063 103 ARG B O   
671  C CB  . ARG B 19 ? 0.4357 0.7108 0.5950 -0.0095 0.0961  -0.0238 103 ARG B CB  
672  C CG  . ARG B 19 ? 0.5172 0.8739 0.7052 -0.0352 0.1165  -0.0478 103 ARG B CG  
673  C CD  . ARG B 19 ? 0.5695 0.9872 0.7910 -0.0113 0.1240  -0.0760 103 ARG B CD  
674  N NE  . ARG B 19 ? 0.6536 1.0244 0.8389 -0.0013 0.1296  -0.0644 103 ARG B NE  
675  C CZ  . ARG B 19 ? 0.7303 1.1281 0.9033 -0.0152 0.1514  -0.0748 103 ARG B CZ  
676  N NH1 . ARG B 19 ? 0.7505 1.2335 0.9483 -0.0409 0.1740  -0.1014 103 ARG B NH1 
677  N NH2 . ARG B 19 ? 0.7293 1.0747 0.8652 -0.0052 0.1510  -0.0611 103 ARG B NH2 
678  N N   . ARG B 20 ? 0.3645 0.4995 0.4628 0.0095  0.0644  0.0181  104 ARG B N   
679  C CA  . ARG B 20 ? 0.3341 0.4385 0.4232 0.0303  0.0489  0.0249  104 ARG B CA  
680  C C   . ARG B 20 ? 0.3543 0.4433 0.4349 0.0198  0.0408  0.0273  104 ARG B C   
681  O O   . ARG B 20 ? 0.3977 0.4893 0.4816 0.0300  0.0270  0.0256  104 ARG B O   
682  C CB  . ARG B 20 ? 0.3318 0.3992 0.3960 0.0398  0.0513  0.0349  104 ARG B CB  
683  C CG  . ARG B 20 ? 0.3156 0.3622 0.3695 0.0531  0.0389  0.0394  104 ARG B CG  
684  C CD  . ARG B 20 ? 0.2986 0.3255 0.3376 0.0613  0.0409  0.0438  104 ARG B CD  
685  N NE  . ARG B 20 ? 0.2911 0.3015 0.3161 0.0651  0.0306  0.0478  104 ARG B NE  
686  C CZ  . ARG B 20 ? 0.2783 0.2785 0.2865 0.0579  0.0318  0.0501  104 ARG B CZ  
687  N NH1 . ARG B 20 ? 0.2945 0.2961 0.3024 0.0547  0.0379  0.0465  104 ARG B NH1 
688  N NH2 . ARG B 20 ? 0.2893 0.2767 0.2784 0.0534  0.0256  0.0542  104 ARG B NH2 
689  N N   . LEU B 21 ? 0.3798 0.4468 0.4432 -0.0014 0.0470  0.0308  105 LEU B N   
690  C CA  . LEU B 21 ? 0.4184 0.4674 0.4727 -0.0118 0.0386  0.0285  105 LEU B CA  
691  C C   . LEU B 21 ? 0.4101 0.5038 0.4921 -0.0193 0.0319  0.0171  105 LEU B C   
692  O O   . LEU B 21 ? 0.4250 0.5176 0.5057 -0.0137 0.0191  0.0135  105 LEU B O   
693  C CB  . LEU B 21 ? 0.4533 0.4595 0.4797 -0.0338 0.0420  0.0335  105 LEU B CB  
694  C CG  . LEU B 21 ? 0.4844 0.4410 0.4813 -0.0213 0.0401  0.0422  105 LEU B CG  
695  C CD1 . LEU B 21 ? 0.5450 0.4504 0.5064 -0.0445 0.0385  0.0501  105 LEU B CD1 
696  C CD2 . LEU B 21 ? 0.4606 0.3975 0.4516 0.0000  0.0293  0.0357  105 LEU B CD2 
697  N N   . VAL B 22 ? 0.4245 0.5648 0.5322 -0.0334 0.0404  0.0086  106 VAL B N   
698  C CA  . VAL B 22 ? 0.4228 0.6199 0.5656 -0.0392 0.0323  -0.0075 106 VAL B CA  
699  C C   . VAL B 22 ? 0.4020 0.6154 0.5608 -0.0051 0.0117  -0.0116 106 VAL B C   
700  O O   . VAL B 22 ? 0.4043 0.6338 0.5719 -0.0037 -0.0052 -0.0185 106 VAL B O   
701  C CB  . VAL B 22 ? 0.4344 0.6953 0.6083 -0.0587 0.0483  -0.0220 106 VAL B CB  
702  C CG1 . VAL B 22 ? 0.4423 0.7832 0.6678 -0.0528 0.0370  -0.0463 106 VAL B CG1 
703  C CG2 . VAL B 22 ? 0.4811 0.7197 0.6274 -0.1054 0.0649  -0.0159 106 VAL B CG2 
704  N N   . ARG B 23 ? 0.3970 0.5993 0.5533 0.0204  0.0105  -0.0065 107 ARG B N   
705  C CA  . ARG B 23 ? 0.4078 0.6061 0.5658 0.0506  -0.0127 -0.0065 107 ARG B CA  
706  C C   . ARG B 23 ? 0.4095 0.5594 0.5276 0.0495  -0.0241 0.0076  107 ARG B C   
707  O O   . ARG B 23 ? 0.4403 0.5897 0.5520 0.0593  -0.0469 0.0072  107 ARG B O   
708  C CB  . ARG B 23 ? 0.4459 0.6327 0.6032 0.0707  -0.0084 -0.0048 107 ARG B CB  
709  C CG  . ARG B 23 ? 0.5055 0.6645 0.6508 0.1003  -0.0341 -0.0011 107 ARG B CG  
710  C CD  . ARG B 23 ? 0.5393 0.6949 0.6925 0.1204  -0.0310 -0.0075 107 ARG B CD  
711  N NE  . ARG B 23 ? 0.5761 0.6968 0.7156 0.1496  -0.0629 -0.0062 107 ARG B NE  
712  C CZ  . ARG B 23 ? 0.5906 0.6896 0.7287 0.1742  -0.0736 -0.0128 107 ARG B CZ  
713  N NH1 . ARG B 23 ? 0.5883 0.7152 0.7487 0.1777  -0.0534 -0.0274 107 ARG B NH1 
714  N NH2 . ARG B 23 ? 0.6511 0.6941 0.7588 0.1942  -0.1072 -0.0047 107 ARG B NH2 
715  N N   . ILE B 24 ? 0.3694 0.4824 0.4595 0.0370  -0.0093 0.0175  108 ILE B N   
716  C CA  . ILE B 24 ? 0.3820 0.4634 0.4379 0.0343  -0.0155 0.0241  108 ILE B CA  
717  C C   . ILE B 24 ? 0.3841 0.4779 0.4405 0.0209  -0.0240 0.0152  108 ILE B C   
718  O O   . ILE B 24 ? 0.4027 0.4905 0.4381 0.0219  -0.0388 0.0162  108 ILE B O   
719  C CB  . ILE B 24 ? 0.3570 0.4090 0.3925 0.0299  0.0005  0.0289  108 ILE B CB  
720  C CG1 . ILE B 24 ? 0.3611 0.4013 0.3910 0.0415  0.0050  0.0372  108 ILE B CG1 
721  C CG2 . ILE B 24 ? 0.3664 0.4038 0.3748 0.0236  -0.0012 0.0255  108 ILE B CG2 
722  C CD1 . ILE B 24 ? 0.3586 0.3825 0.3796 0.0398  0.0191  0.0382  108 ILE B CD1 
723  N N   . GLU B 25 ? 0.3864 0.4936 0.4603 0.0041  -0.0152 0.0068  109 GLU B N   
724  C CA  . GLU B 25 ? 0.4394 0.5542 0.5123 -0.0127 -0.0231 -0.0037 109 GLU B CA  
725  C C   . GLU B 25 ? 0.4568 0.6122 0.5487 -0.0049 -0.0447 -0.0106 109 GLU B C   
726  O O   . GLU B 25 ? 0.4573 0.6097 0.5318 -0.0081 -0.0599 -0.0144 109 GLU B O   
727  C CB  . GLU B 25 ? 0.4612 0.5774 0.5449 -0.0385 -0.0112 -0.0098 109 GLU B CB  
728  C CG  . GLU B 25 ? 0.5122 0.6324 0.5941 -0.0611 -0.0202 -0.0228 109 GLU B CG  
729  C CD  . GLU B 25 ? 0.5665 0.6896 0.6563 -0.0955 -0.0099 -0.0277 109 GLU B CD  
730  O OE1 . GLU B 25 ? 0.6027 0.7782 0.7250 -0.1038 -0.0027 -0.0315 109 GLU B OE1 
731  O OE2 . GLU B 25 ? 0.6225 0.6953 0.6838 -0.1154 -0.0097 -0.0295 109 GLU B OE2 
732  N N   . GLN B 26 ? 0.4496 0.6442 0.5766 0.0078  -0.0482 -0.0148 110 GLN B N   
733  C CA  . GLN B 26 ? 0.4849 0.7230 0.6375 0.0230  -0.0744 -0.0260 110 GLN B CA  
734  C C   . GLN B 26 ? 0.5213 0.7213 0.6347 0.0429  -0.0995 -0.0132 110 GLN B C   
735  O O   . GLN B 26 ? 0.5390 0.7480 0.6435 0.0445  -0.1243 -0.0174 110 GLN B O   
736  C CB  . GLN B 26 ? 0.5063 0.7972 0.7073 0.0385  -0.0727 -0.0395 110 GLN B CB  
737  C CG  . GLN B 26 ? 0.5397 0.8930 0.7819 0.0095  -0.0554 -0.0589 110 GLN B CG  
738  C CD  . GLN B 26 ? 0.6000 0.9854 0.8540 -0.0083 -0.0709 -0.0723 110 GLN B CD  
739  O OE1 . GLN B 26 ? 0.6577 1.0242 0.8938 -0.0431 -0.0589 -0.0710 110 GLN B OE1 
740  N NE2 . GLN B 26 ? 0.6015 1.0270 0.8800 0.0176  -0.1025 -0.0854 110 GLN B NE2 
741  N N   . ARG B 27 ? 0.5266 0.6818 0.6107 0.0533  -0.0932 0.0029  111 ARG B N   
742  C CA  . ARG B 27 ? 0.5769 0.6869 0.6119 0.0624  -0.1137 0.0186  111 ARG B CA  
743  C C   . ARG B 27 ? 0.5686 0.6622 0.5632 0.0404  -0.1129 0.0211  111 ARG B C   
744  O O   . ARG B 27 ? 0.6441 0.7252 0.6059 0.0415  -0.1387 0.0259  111 ARG B O   
745  C CB  . ARG B 27 ? 0.6477 0.7178 0.6614 0.0683  -0.1015 0.0328  111 ARG B CB  
746  C CG  . ARG B 27 ? 0.7984 0.8173 0.7621 0.0776  -0.1273 0.0498  111 ARG B CG  
747  C CD  . ARG B 27 ? 0.8760 0.8564 0.8191 0.0774  -0.1144 0.0618  111 ARG B CD  
748  N NE  . ARG B 27 ? 0.9460 0.9334 0.8854 0.0548  -0.0804 0.0613  111 ARG B NE  
749  C CZ  . ARG B 27 ? 0.9218 0.8974 0.8224 0.0321  -0.0705 0.0657  111 ARG B CZ  
750  N NH1 . ARG B 27 ? 0.8552 0.8551 0.7712 0.0215  -0.0478 0.0538  111 ARG B NH1 
751  N NH2 . ARG B 27 ? 0.9664 0.9071 0.8110 0.0193  -0.0855 0.0795  111 ARG B NH2 
752  N N   . GLN B 28 ? 0.4873 0.5799 0.4818 0.0219  -0.0863 0.0153  112 GLN B N   
753  C CA  . GLN B 28 ? 0.4893 0.5696 0.4480 0.0044  -0.0831 0.0107  112 GLN B CA  
754  C C   . GLN B 28 ? 0.5182 0.6227 0.4825 -0.0038 -0.1013 -0.0024 112 GLN B C   
755  O O   . GLN B 28 ? 0.5204 0.6156 0.4468 -0.0155 -0.1071 -0.0062 112 GLN B O   
756  C CB  . GLN B 28 ? 0.4499 0.5202 0.4122 -0.0045 -0.0559 0.0026  112 GLN B CB  
757  C CG  . GLN B 28 ? 0.4417 0.4925 0.3884 0.0010  -0.0415 0.0132  112 GLN B CG  
758  C CD  . GLN B 28 ? 0.4311 0.4742 0.3846 -0.0001 -0.0205 0.0032  112 GLN B CD  
759  O OE1 . GLN B 28 ? 0.4093 0.4488 0.3785 -0.0033 -0.0170 -0.0080 112 GLN B OE1 
760  N NE2 . GLN B 28 ? 0.4160 0.4532 0.3540 0.0017  -0.0094 0.0066  112 GLN B NE2 
761  N N   . LYS B 29 ? 0.5140 0.6557 0.5255 -0.0003 -0.1089 -0.0120 113 LYS B N   
762  C CA  . LYS B 29 ? 0.5779 0.7530 0.6011 -0.0064 -0.1318 -0.0258 113 LYS B CA  
763  C C   . LYS B 29 ? 0.6298 0.7988 0.6259 0.0121  -0.1675 -0.0162 113 LYS B C   
764  O O   . LYS B 29 ? 0.6982 0.8668 0.6640 0.0021  -0.1856 -0.0207 113 LYS B O   
765  C CB  . LYS B 29 ? 0.6026 0.8331 0.6881 -0.0098 -0.1305 -0.0417 113 LYS B CB  
766  C CG  . LYS B 29 ? 0.6278 0.8542 0.7296 -0.0342 -0.0996 -0.0474 113 LYS B CG  
767  C CD  . LYS B 29 ? 0.6997 0.8873 0.7680 -0.0569 -0.0909 -0.0530 113 LYS B CD  
768  C CE  . LYS B 29 ? 0.7272 0.8893 0.7994 -0.0770 -0.0677 -0.0547 113 LYS B CE  
769  N NZ  . LYS B 29 ? 0.7649 0.8787 0.8017 -0.0892 -0.0653 -0.0631 113 LYS B NZ  
770  N N   . GLY C 7  ? 0.5201 0.8117 1.0404 -0.1287 -0.0688 0.2176  299 GLY C N   
771  C CA  . GLY C 7  ? 0.5228 0.7760 0.9933 -0.1162 -0.0558 0.2093  299 GLY C CA  
772  C C   . GLY C 7  ? 0.5094 0.7227 0.9238 -0.0993 -0.0636 0.1706  299 GLY C C   
773  O O   . GLY C 7  ? 0.5236 0.7436 0.9327 -0.0939 -0.0745 0.1529  299 GLY C O   
774  N N   . PRO C 8  ? 0.5239 0.6977 0.8970 -0.0906 -0.0582 0.1585  300 PRO C N   
775  C CA  . PRO C 8  ? 0.4918 0.6298 0.8165 -0.0764 -0.0654 0.1251  300 PRO C CA  
776  C C   . PRO C 8  ? 0.4852 0.6435 0.7774 -0.0561 -0.0517 0.1159  300 PRO C C   
777  O O   . PRO C 8  ? 0.4500 0.6376 0.7377 -0.0459 -0.0309 0.1310  300 PRO C O   
778  C CB  . PRO C 8  ? 0.5183 0.6220 0.8154 -0.0721 -0.0581 0.1228  300 PRO C CB  
779  C CG  . PRO C 8  ? 0.5113 0.6404 0.8289 -0.0763 -0.0395 0.1555  300 PRO C CG  
780  C CD  . PRO C 8  ? 0.5319 0.6966 0.9054 -0.0937 -0.0453 0.1783  300 PRO C CD  
781  N N   . SER C 9  ? 0.4639 0.6045 0.7313 -0.0486 -0.0644 0.0905  301 SER C N   
782  C CA  . SER C 9  ? 0.3931 0.5457 0.6302 -0.0304 -0.0555 0.0812  301 SER C CA  
783  C C   . SER C 9  ? 0.3647 0.4827 0.5615 -0.0215 -0.0643 0.0555  301 SER C C   
784  O O   . SER C 9  ? 0.3755 0.4758 0.5769 -0.0279 -0.0848 0.0413  301 SER C O   
785  C CB  . SER C 9  ? 0.4080 0.5953 0.6731 -0.0321 -0.0630 0.0863  301 SER C CB  
786  O OG  . SER C 9  ? 0.4576 0.6546 0.6945 -0.0134 -0.0555 0.0788  301 SER C OG  
787  N N   . CYS C 10 ? 0.2949 0.4052 0.4538 -0.0063 -0.0497 0.0502  302 CYS C N   
788  C CA  . CYS C 10 ? 0.2824 0.3654 0.4043 0.0024  -0.0536 0.0312  302 CYS C CA  
789  C C   . CYS C 10 ? 0.2849 0.3727 0.4002 0.0074  -0.0676 0.0192  302 CYS C C   
790  O O   . CYS C 10 ? 0.2755 0.3862 0.3963 0.0130  -0.0656 0.0250  302 CYS C O   
791  C CB  . CYS C 10 ? 0.2528 0.3312 0.3446 0.0147  -0.0355 0.0327  302 CYS C CB  
792  S SG  . CYS C 10 ? 0.2847 0.3389 0.3356 0.0251  -0.0365 0.0158  302 CYS C SG  
793  N N   . LYS C 11 ? 0.3055 0.3731 0.4087 0.0075  -0.0833 0.0022  303 LYS C N   
794  C CA  . LYS C 11 ? 0.3127 0.3850 0.4049 0.0146  -0.0983 -0.0103 303 LYS C CA  
795  C C   . LYS C 11 ? 0.2988 0.3751 0.3569 0.0304  -0.0860 -0.0098 303 LYS C C   
796  O O   . LYS C 11 ? 0.3251 0.4134 0.3769 0.0377  -0.0944 -0.0131 303 LYS C O   
797  C CB  . LYS C 11 ? 0.3607 0.4096 0.4402 0.0158  -0.1174 -0.0310 303 LYS C CB  
798  C CG  . LYS C 11 ? 0.3976 0.4251 0.4402 0.0267  -0.1083 -0.0404 303 LYS C CG  
799  C CD  . LYS C 11 ? 0.4371 0.4439 0.4692 0.0309  -0.1294 -0.0626 303 LYS C CD  
800  C CE  . LYS C 11 ? 0.4663 0.4592 0.4612 0.0456  -0.1213 -0.0730 303 LYS C CE  
801  N NZ  . LYS C 11 ? 0.5358 0.5099 0.5189 0.0536  -0.1433 -0.0969 303 LYS C NZ  
802  N N   . HIS C 12 ? 0.3091 0.3745 0.3474 0.0349  -0.0681 -0.0050 304 HIS C N   
803  C CA  . HIS C 12 ? 0.3194 0.3832 0.3280 0.0474  -0.0580 -0.0031 304 HIS C CA  
804  C C   . HIS C 12 ? 0.3136 0.3922 0.3296 0.0516  -0.0487 0.0095  304 HIS C C   
805  O O   . HIS C 12 ? 0.3453 0.4296 0.3488 0.0613  -0.0502 0.0112  304 HIS C O   
806  C CB  . HIS C 12 ? 0.3346 0.3811 0.3227 0.0494  -0.0456 -0.0038 304 HIS C CB  
807  C CG  . HIS C 12 ? 0.3986 0.4427 0.3588 0.0600  -0.0394 -0.0019 304 HIS C CG  
808  N ND1 . HIS C 12 ? 0.4284 0.4720 0.3671 0.0679  -0.0458 -0.0099 304 HIS C ND1 
809  C CD2 . HIS C 12 ? 0.4474 0.4894 0.3986 0.0641  -0.0282 0.0083  304 HIS C CD2 
810  C CE1 . HIS C 12 ? 0.4412 0.4857 0.3604 0.0755  -0.0370 -0.0011 304 HIS C CE1 
811  N NE2 . HIS C 12 ? 0.4840 0.5248 0.4122 0.0720  -0.0273 0.0097  304 HIS C NE2 
812  N N   . CYS C 13 ? 0.2702 0.3555 0.3050 0.0466  -0.0395 0.0186  305 CYS C N   
813  C CA  . CYS C 13 ? 0.2596 0.3561 0.2954 0.0550  -0.0291 0.0282  305 CYS C CA  
814  C C   . CYS C 13 ? 0.2808 0.4063 0.3488 0.0524  -0.0290 0.0378  305 CYS C C   
815  O O   . CYS C 13 ? 0.2598 0.3990 0.3286 0.0632  -0.0208 0.0447  305 CYS C O   
816  C CB  . CYS C 13 ? 0.2795 0.3612 0.3013 0.0578  -0.0155 0.0308  305 CYS C CB  
817  S SG  . CYS C 13 ? 0.2566 0.3420 0.2965 0.0482  -0.0086 0.0366  305 CYS C SG  
818  N N   . LYS C 14 ? 0.2732 0.4083 0.3686 0.0391  -0.0381 0.0389  306 LYS C N   
819  C CA  . LYS C 14 ? 0.2804 0.4477 0.4137 0.0331  -0.0376 0.0523  306 LYS C CA  
820  C C   . LYS C 14 ? 0.2712 0.4498 0.4072 0.0377  -0.0188 0.0655  306 LYS C C   
821  O O   . LYS C 14 ? 0.2944 0.5074 0.4568 0.0392  -0.0130 0.0795  306 LYS C O   
822  C CB  . LYS C 14 ? 0.3033 0.4975 0.4483 0.0412  -0.0442 0.0542  306 LYS C CB  
823  C CG  . LYS C 14 ? 0.3487 0.5358 0.4890 0.0393  -0.0641 0.0414  306 LYS C CG  
824  C CD  . LYS C 14 ? 0.4045 0.5893 0.5722 0.0210  -0.0807 0.0374  306 LYS C CD  
825  C CE  . LYS C 14 ? 0.5044 0.6983 0.6837 0.0189  -0.1041 0.0274  306 LYS C CE  
826  N NZ  . LYS C 14 ? 0.5749 0.7529 0.7728 0.0023  -0.1220 0.0189  306 LYS C NZ  
827  N N   . ASP C 15 ? 0.2562 0.4095 0.3654 0.0412  -0.0098 0.0612  307 ASP C N   
828  C CA  . ASP C 15 ? 0.2732 0.4317 0.3748 0.0493  0.0060  0.0694  307 ASP C CA  
829  C C   . ASP C 15 ? 0.2807 0.4590 0.3762 0.0678  0.0136  0.0725  307 ASP C C   
830  O O   . ASP C 15 ? 0.3149 0.5143 0.4143 0.0770  0.0256  0.0822  307 ASP C O   
831  C CB  . ASP C 15 ? 0.2708 0.4441 0.3988 0.0376  0.0103  0.0839  307 ASP C CB  
832  C CG  . ASP C 15 ? 0.2818 0.4259 0.4080 0.0237  0.0028  0.0782  307 ASP C CG  
833  O OD1 . ASP C 15 ? 0.2594 0.3791 0.3580 0.0286  0.0068  0.0697  307 ASP C OD1 
834  O OD2 . ASP C 15 ? 0.2890 0.4352 0.4426 0.0089  -0.0088 0.0813  307 ASP C OD2 
835  N N   . ASP C 16 ? 0.2718 0.4433 0.3558 0.0754  0.0064  0.0643  308 ASP C N   
836  C CA  . ASP C 16 ? 0.2696 0.4511 0.3436 0.0954  0.0109  0.0644  308 ASP C CA  
837  C C   . ASP C 16 ? 0.2795 0.4305 0.3205 0.1065  0.0165  0.0564  308 ASP C C   
838  O O   . ASP C 16 ? 0.2899 0.4091 0.3114 0.1023  0.0113  0.0481  308 ASP C O   
839  C CB  . ASP C 16 ? 0.2829 0.4649 0.3569 0.0986  -0.0007 0.0600  308 ASP C CB  
840  C CG  . ASP C 16 ? 0.3284 0.5196 0.3946 0.1204  0.0008  0.0604  308 ASP C CG  
841  O OD1 . ASP C 16 ? 0.3243 0.5109 0.3763 0.1352  0.0100  0.0596  308 ASP C OD1 
842  O OD2 . ASP C 16 ? 0.3641 0.5658 0.4374 0.1235  -0.0086 0.0604  308 ASP C OD2 
843  N N   . VAL C 17 ? 0.2845 0.4476 0.3203 0.1216  0.0264  0.0591  309 VAL C N   
844  C CA  . VAL C 17 ? 0.3165 0.4511 0.3232 0.1326  0.0288  0.0498  309 VAL C CA  
845  C C   . VAL C 17 ? 0.2986 0.4047 0.2862 0.1426  0.0205  0.0406  309 VAL C C   
846  O O   . VAL C 17 ? 0.3311 0.4061 0.2981 0.1459  0.0181  0.0324  309 VAL C O   
847  C CB  . VAL C 17 ? 0.3571 0.5127 0.3586 0.1508  0.0396  0.0527  309 VAL C CB  
848  C CG1 . VAL C 17 ? 0.3938 0.5719 0.4109 0.1396  0.0485  0.0649  309 VAL C CG1 
849  C CG2 . VAL C 17 ? 0.3821 0.5679 0.3909 0.1717  0.0427  0.0562  309 VAL C CG2 
850  N N   . ASN C 18 ? 0.3014 0.4181 0.2975 0.1470  0.0150  0.0432  310 ASN C N   
851  C CA  . ASN C 18 ? 0.3222 0.4119 0.3015 0.1569  0.0069  0.0381  310 ASN C CA  
852  C C   . ASN C 18 ? 0.3050 0.3713 0.2781 0.1407  0.0000  0.0381  310 ASN C C   
853  O O   . ASN C 18 ? 0.3356 0.3812 0.2969 0.1461  -0.0065 0.0383  310 ASN C O   
854  C CB  . ASN C 18 ? 0.3365 0.4498 0.3255 0.1732  0.0043  0.0418  310 ASN C CB  
855  C CG  . ASN C 18 ? 0.3524 0.4926 0.3453 0.1930  0.0131  0.0421  310 ASN C CG  
856  O OD1 . ASN C 18 ? 0.3590 0.4777 0.3309 0.2088  0.0139  0.0335  310 ASN C OD1 
857  N ND2 . ASN C 18 ? 0.3740 0.5611 0.3938 0.1916  0.0196  0.0521  310 ASN C ND2 
858  N N   . ARG C 19 ? 0.3042 0.3736 0.2842 0.1227  0.0016  0.0387  311 ARG C N   
859  C CA  . ARG C 19 ? 0.3137 0.3676 0.2866 0.1103  -0.0036 0.0382  311 ARG C CA  
860  C C   . ARG C 19 ? 0.3059 0.3390 0.2695 0.1000  0.0000  0.0349  311 ARG C C   
861  O O   . ARG C 19 ? 0.3154 0.3518 0.2826 0.0987  0.0054  0.0331  311 ARG C O   
862  C CB  . ARG C 19 ? 0.3010 0.3780 0.2907 0.1004  -0.0083 0.0394  311 ARG C CB  
863  C CG  . ARG C 19 ? 0.3325 0.4336 0.3348 0.1098  -0.0141 0.0430  311 ARG C CG  
864  C CD  . ARG C 19 ? 0.3540 0.4744 0.3724 0.1003  -0.0239 0.0422  311 ARG C CD  
865  N NE  . ARG C 19 ? 0.4022 0.5027 0.4001 0.0964  -0.0299 0.0375  311 ARG C NE  
866  C CZ  . ARG C 19 ? 0.4827 0.5877 0.4833 0.0881  -0.0396 0.0317  311 ARG C CZ  
867  N NH1 . ARG C 19 ? 0.4594 0.5867 0.4867 0.0812  -0.0479 0.0302  311 ARG C NH1 
868  N NH2 . ARG C 19 ? 0.5052 0.5931 0.4828 0.0874  -0.0412 0.0276  311 ARG C NH2 
869  N N   . LEU C 20 ? 0.3065 0.3230 0.2593 0.0934  -0.0027 0.0355  312 LEU C N   
870  C CA  . LEU C 20 ? 0.2967 0.3007 0.2449 0.0829  0.0005  0.0334  312 LEU C CA  
871  C C   . LEU C 20 ? 0.2903 0.3075 0.2459 0.0734  0.0001  0.0305  312 LEU C C   
872  O O   . LEU C 20 ? 0.3107 0.3401 0.2699 0.0731  -0.0053 0.0299  312 LEU C O   
873  C CB  . LEU C 20 ? 0.3270 0.3129 0.2632 0.0809  -0.0009 0.0383  312 LEU C CB  
874  C CG  . LEU C 20 ? 0.3415 0.3058 0.2720 0.0883  -0.0040 0.0419  312 LEU C CG  
875  C CD1 . LEU C 20 ? 0.3562 0.3051 0.2807 0.0822  -0.0049 0.0517  312 LEU C CD1 
876  C CD2 . LEU C 20 ? 0.3318 0.2832 0.2631 0.0908  -0.0039 0.0350  312 LEU C CD2 
877  N N   . CYS C 21 ? 0.2658 0.2779 0.2227 0.0664  0.0040  0.0275  313 CYS C N   
878  C CA  . CYS C 21 ? 0.2685 0.2864 0.2308 0.0587  0.0021  0.0235  313 CYS C CA  
879  C C   . CYS C 21 ? 0.2658 0.2732 0.2236 0.0538  0.0063  0.0211  313 CYS C C   
880  O O   . CYS C 21 ? 0.2659 0.2697 0.2264 0.0537  0.0101  0.0216  313 CYS C O   
881  C CB  . CYS C 21 ? 0.2684 0.3010 0.2495 0.0554  0.0002  0.0241  313 CYS C CB  
882  S SG  . CYS C 21 ? 0.2702 0.3023 0.2590 0.0465  -0.0081 0.0172  313 CYS C SG  
883  N N   . ARG C 22 ? 0.2656 0.2715 0.2161 0.0520  0.0051  0.0182  314 ARG C N   
884  C CA  . ARG C 22 ? 0.2839 0.2845 0.2318 0.0490  0.0091  0.0162  314 ARG C CA  
885  C C   . ARG C 22 ? 0.3162 0.3172 0.2715 0.0461  0.0065  0.0100  314 ARG C C   
886  O O   . ARG C 22 ? 0.2914 0.2890 0.2457 0.0452  0.0090  0.0077  314 ARG C O   
887  C CB  . ARG C 22 ? 0.2931 0.2960 0.2298 0.0508  0.0114  0.0188  314 ARG C CB  
888  C CG  . ARG C 22 ? 0.3128 0.3108 0.2461 0.0512  0.0137  0.0288  314 ARG C CG  
889  C CD  . ARG C 22 ? 0.3381 0.3429 0.2620 0.0531  0.0170  0.0371  314 ARG C CD  
890  N NE  . ARG C 22 ? 0.3722 0.3680 0.2970 0.0512  0.0177  0.0497  314 ARG C NE  
891  C CZ  . ARG C 22 ? 0.4167 0.4050 0.3380 0.0552  0.0139  0.0550  314 ARG C CZ  
892  N NH1 . ARG C 22 ? 0.4649 0.4581 0.3825 0.0616  0.0091  0.0491  314 ARG C NH1 
893  N NH2 . ARG C 22 ? 0.4595 0.4350 0.3835 0.0525  0.0135  0.0671  314 ARG C NH2 
894  N N   . VAL C 23 ? 0.2739 0.2789 0.2399 0.0441  0.0007  0.0086  315 VAL C N   
895  C CA  . VAL C 23 ? 0.2875 0.2890 0.2656 0.0394  -0.0025 0.0064  315 VAL C CA  
896  C C   . VAL C 23 ? 0.2922 0.2978 0.2815 0.0370  0.0028  0.0153  315 VAL C C   
897  O O   . VAL C 23 ? 0.3048 0.3055 0.2965 0.0356  0.0056  0.0174  315 VAL C O   
898  C CB  . VAL C 23 ? 0.3124 0.3152 0.2993 0.0369  -0.0144 0.0006  315 VAL C CB  
899  C CG1 . VAL C 23 ? 0.3286 0.3247 0.3340 0.0296  -0.0199 0.0015  315 VAL C CG1 
900  C CG2 . VAL C 23 ? 0.3740 0.3735 0.3436 0.0436  -0.0198 -0.0103 315 VAL C CG2 
901  N N   . CYS C 24 ? 0.2670 0.2839 0.2618 0.0389  0.0046  0.0213  316 CYS C N   
902  C CA  . CYS C 24 ? 0.2670 0.2943 0.2715 0.0398  0.0106  0.0306  316 CYS C CA  
903  C C   . CYS C 24 ? 0.2744 0.2974 0.2639 0.0477  0.0176  0.0306  316 CYS C C   
904  O O   . CYS C 24 ? 0.2865 0.3149 0.2770 0.0507  0.0227  0.0360  316 CYS C O   
905  C CB  . CYS C 24 ? 0.2766 0.3231 0.2954 0.0409  0.0094  0.0367  316 CYS C CB  
906  S SG  . CYS C 24 ? 0.2756 0.3271 0.3178 0.0295  -0.0033 0.0360  316 CYS C SG  
907  N N   . ALA C 25 ? 0.2563 0.2699 0.2325 0.0515  0.0165  0.0252  317 ALA C N   
908  C CA  . ALA C 25 ? 0.2674 0.2723 0.2315 0.0579  0.0187  0.0231  317 ALA C CA  
909  C C   . ALA C 25 ? 0.2624 0.2539 0.2199 0.0534  0.0167  0.0189  317 ALA C C   
910  O O   . ALA C 25 ? 0.2906 0.2825 0.2510 0.0479  0.0163  0.0175  317 ALA C O   
911  C CB  . ALA C 25 ? 0.2777 0.2846 0.2377 0.0670  0.0182  0.0236  317 ALA C CB  
912  N N   . CYS C 26 ? 0.2843 0.2646 0.2347 0.0561  0.0147  0.0170  318 CYS C N   
913  C CA  . CYS C 26 ? 0.2770 0.2501 0.2274 0.0501  0.0134  0.0159  318 CYS C CA  
914  C C   . CYS C 26 ? 0.2644 0.2434 0.2165 0.0452  0.0151  0.0187  318 CYS C C   
915  O O   . CYS C 26 ? 0.2538 0.2336 0.2029 0.0465  0.0144  0.0220  318 CYS C O   
916  C CB  . CYS C 26 ? 0.3065 0.2649 0.2545 0.0507  0.0083  0.0154  318 CYS C CB  
917  S SG  . CYS C 26 ? 0.2821 0.2382 0.2389 0.0402  0.0065  0.0184  318 CYS C SG  
918  N N   . HIS C 27 ? 0.2586 0.2425 0.2134 0.0421  0.0168  0.0170  319 HIS C N   
919  C CA  . HIS C 27 ? 0.2695 0.2616 0.2221 0.0419  0.0185  0.0171  319 HIS C CA  
920  C C   . HIS C 27 ? 0.2525 0.2478 0.2028 0.0403  0.0208  0.0247  319 HIS C C   
921  O O   . HIS C 27 ? 0.2766 0.2813 0.2205 0.0432  0.0229  0.0267  319 HIS C O   
922  C CB  . HIS C 27 ? 0.2544 0.2504 0.2100 0.0423  0.0194  0.0124  319 HIS C CB  
923  C CG  . HIS C 27 ? 0.2524 0.2563 0.2028 0.0464  0.0202  0.0089  319 HIS C CG  
924  N ND1 . HIS C 27 ? 0.2887 0.2913 0.2343 0.0494  0.0155  0.0037  319 HIS C ND1 
925  C CD2 . HIS C 27 ? 0.2697 0.2848 0.2184 0.0498  0.0240  0.0089  319 HIS C CD2 
926  C CE1 . HIS C 27 ? 0.3225 0.3318 0.2602 0.0561  0.0153  -0.0018 319 HIS C CE1 
927  N NE2 . HIS C 27 ? 0.2823 0.3011 0.2210 0.0571  0.0219  0.0024  319 HIS C NE2 
928  N N   . LEU C 28 ? 0.2720 0.2596 0.2282 0.0359  0.0195  0.0295  320 LEU C N   
929  C CA  . LEU C 28 ? 0.2903 0.2793 0.2505 0.0314  0.0209  0.0408  320 LEU C CA  
930  C C   . LEU C 28 ? 0.3048 0.2814 0.2596 0.0333  0.0175  0.0463  320 LEU C C   
931  O O   . LEU C 28 ? 0.3620 0.3454 0.3128 0.0338  0.0207  0.0564  320 LEU C O   
932  C CB  . LEU C 28 ? 0.3074 0.2942 0.2820 0.0237  0.0184  0.0434  320 LEU C CB  
933  C CG  . LEU C 28 ? 0.3095 0.3116 0.2897 0.0240  0.0217  0.0387  320 LEU C CG  
934  C CD1 . LEU C 28 ? 0.3131 0.3160 0.3101 0.0163  0.0172  0.0411  320 LEU C CD1 
935  C CD2 . LEU C 28 ? 0.3641 0.3873 0.3401 0.0282  0.0301  0.0431  320 LEU C CD2 
936  N N   . CYS C 29 ? 0.2998 0.2603 0.2537 0.0363  0.0115  0.0406  321 CYS C N   
937  C CA  . CYS C 29 ? 0.2932 0.2399 0.2429 0.0403  0.0071  0.0454  321 CYS C CA  
938  C C   . CYS C 29 ? 0.2887 0.2403 0.2304 0.0498  0.0070  0.0400  321 CYS C C   
939  O O   . CYS C 29 ? 0.3112 0.2554 0.2488 0.0555  0.0037  0.0444  321 CYS C O   
940  C CB  . CYS C 29 ? 0.3317 0.2550 0.2865 0.0393  -0.0017 0.0431  321 CYS C CB  
941  S SG  . CYS C 29 ? 0.3150 0.2325 0.2633 0.0496  -0.0058 0.0265  321 CYS C SG  
942  N N   . GLY C 30 ? 0.2711 0.2347 0.2134 0.0515  0.0095  0.0321  322 GLY C N   
943  C CA  . GLY C 30 ? 0.2864 0.2597 0.2281 0.0578  0.0090  0.0292  322 GLY C CA  
944  C C   . GLY C 30 ? 0.2841 0.2530 0.2260 0.0662  0.0073  0.0259  322 GLY C C   
945  O O   . GLY C 30 ? 0.3001 0.2823 0.2456 0.0716  0.0081  0.0254  322 GLY C O   
946  N N   . GLY C 31 ? 0.2789 0.2313 0.2176 0.0683  0.0042  0.0231  323 GLY C N   
947  C CA  . GLY C 31 ? 0.3158 0.2625 0.2493 0.0811  0.0015  0.0176  323 GLY C CA  
948  C C   . GLY C 31 ? 0.3175 0.2785 0.2507 0.0859  0.0061  0.0131  323 GLY C C   
949  O O   . GLY C 31 ? 0.3063 0.2690 0.2412 0.0791  0.0079  0.0117  323 GLY C O   
950  N N   . ARG C 32 ? 0.3014 0.2730 0.2318 0.0999  0.0079  0.0119  324 ARG C N   
951  C CA  . ARG C 32 ? 0.2973 0.2868 0.2261 0.1079  0.0139  0.0112  324 ARG C CA  
952  C C   . ARG C 32 ? 0.3086 0.2855 0.2205 0.1233  0.0095  0.0010  324 ARG C C   
953  O O   . ARG C 32 ? 0.3285 0.3223 0.2343 0.1340  0.0151  0.0008  324 ARG C O   
954  C CB  . ARG C 32 ? 0.3154 0.3323 0.2534 0.1156  0.0199  0.0183  324 ARG C CB  
955  C CG  . ARG C 32 ? 0.3059 0.3376 0.2618 0.1015  0.0215  0.0265  324 ARG C CG  
956  C CD  . ARG C 32 ? 0.3236 0.3810 0.2917 0.1093  0.0237  0.0327  324 ARG C CD  
957  N NE  . ARG C 32 ? 0.3266 0.3915 0.3095 0.0973  0.0195  0.0367  324 ARG C NE  
958  C CZ  . ARG C 32 ? 0.3209 0.3965 0.3199 0.0835  0.0193  0.0411  324 ARG C CZ  
959  N NH1 . ARG C 32 ? 0.3178 0.3972 0.3212 0.0785  0.0245  0.0447  324 ARG C NH1 
960  N NH2 . ARG C 32 ? 0.3411 0.4217 0.3504 0.0761  0.0122  0.0413  324 ARG C NH2 
961  N N   . GLN C 33 ? 0.3325 0.2796 0.2371 0.1243  -0.0014 -0.0071 325 GLN C N   
962  C CA  . GLN C 33 ? 0.3492 0.2785 0.2376 0.1394  -0.0105 -0.0205 325 GLN C CA  
963  C C   . GLN C 33 ? 0.3364 0.2648 0.2212 0.1337  -0.0124 -0.0250 325 GLN C C   
964  O O   . GLN C 33 ? 0.3432 0.2752 0.2399 0.1159  -0.0096 -0.0185 325 GLN C O   
965  C CB  . GLN C 33 ? 0.3812 0.2747 0.2676 0.1398  -0.0249 -0.0269 325 GLN C CB  
966  C CG  . GLN C 33 ? 0.3792 0.2501 0.2763 0.1197  -0.0337 -0.0253 325 GLN C CG  
967  C CD  . GLN C 33 ? 0.3794 0.2595 0.2924 0.1006  -0.0264 -0.0099 325 GLN C CD  
968  O OE1 . GLN C 33 ? 0.3467 0.2514 0.2633 0.0989  -0.0151 -0.0023 325 GLN C OE1 
969  N NE2 . GLN C 33 ? 0.4093 0.2694 0.3324 0.0870  -0.0340 -0.0052 325 GLN C NE2 
970  N N   . ASP C 34 ? 0.3779 0.3034 0.2441 0.1523  -0.0175 -0.0369 326 ASP C N   
971  C CA  . ASP C 34 ? 0.4033 0.3256 0.2622 0.1511  -0.0230 -0.0439 326 ASP C CA  
972  C C   . ASP C 34 ? 0.3631 0.3107 0.2323 0.1388  -0.0102 -0.0305 326 ASP C C   
973  O O   . ASP C 34 ? 0.3511 0.2929 0.2294 0.1238  -0.0138 -0.0296 326 ASP C O   
974  C CB  . ASP C 34 ? 0.4250 0.3161 0.2915 0.1379  -0.0397 -0.0519 326 ASP C CB  
975  C CG  . ASP C 34 ? 0.4710 0.3283 0.3292 0.1484  -0.0577 -0.0666 326 ASP C CG  
976  O OD1 . ASP C 34 ? 0.5255 0.3820 0.3622 0.1733  -0.0603 -0.0781 326 ASP C OD1 
977  O OD2 . ASP C 34 ? 0.4881 0.3203 0.3619 0.1325  -0.0691 -0.0655 326 ASP C OD2 
978  N N   . PRO C 35 ? 0.3627 0.3395 0.2327 0.1449  0.0042  -0.0191 327 PRO C N   
979  C CA  . PRO C 35 ? 0.3505 0.3457 0.2328 0.1321  0.0139  -0.0057 327 PRO C CA  
980  C C   . PRO C 35 ? 0.3479 0.3438 0.2191 0.1358  0.0110  -0.0088 327 PRO C C   
981  O O   . PRO C 35 ? 0.3472 0.3464 0.2297 0.1224  0.0138  -0.0012 327 PRO C O   
982  C CB  . PRO C 35 ? 0.3465 0.3717 0.2346 0.1388  0.0274  0.0078  327 PRO C CB  
983  C CG  . PRO C 35 ? 0.3775 0.4068 0.2455 0.1638  0.0261  -0.0010 327 PRO C CG  
984  C CD  . PRO C 35 ? 0.3959 0.3910 0.2589 0.1636  0.0114  -0.0169 327 PRO C CD  
985  N N   . ASP C 36 ? 0.3680 0.3578 0.2167 0.1543  0.0030  -0.0218 328 ASP C N   
986  C CA  . ASP C 36 ? 0.4250 0.4138 0.2602 0.1600  -0.0035 -0.0277 328 ASP C CA  
987  C C   . ASP C 36 ? 0.4034 0.3701 0.2507 0.1431  -0.0170 -0.0358 328 ASP C C   
988  O O   . ASP C 36 ? 0.4211 0.3889 0.2625 0.1447  -0.0233 -0.0394 328 ASP C O   
989  C CB  . ASP C 36 ? 0.5083 0.4947 0.3136 0.1868  -0.0118 -0.0433 328 ASP C CB  
990  C CG  . ASP C 36 ? 0.5955 0.5522 0.3956 0.1925  -0.0277 -0.0623 328 ASP C CG  
991  O OD1 . ASP C 36 ? 0.5418 0.4926 0.3545 0.1867  -0.0241 -0.0583 328 ASP C OD1 
992  O OD2 . ASP C 36 ? 0.7456 0.6839 0.5280 0.2044  -0.0454 -0.0814 328 ASP C OD2 
993  N N   . LYS C 37 ? 0.3889 0.3387 0.2533 0.1282  -0.0215 -0.0371 329 LYS C N   
994  C CA  . LYS C 37 ? 0.3893 0.3239 0.2697 0.1115  -0.0323 -0.0408 329 LYS C CA  
995  C C   . LYS C 37 ? 0.3419 0.2846 0.2441 0.0926  -0.0221 -0.0272 329 LYS C C   
996  O O   . LYS C 37 ? 0.3489 0.2839 0.2671 0.0787  -0.0278 -0.0267 329 LYS C O   
997  C CB  . LYS C 37 ? 0.4315 0.3388 0.3130 0.1113  -0.0482 -0.0527 329 LYS C CB  
998  C CG  . LYS C 37 ? 0.4958 0.3896 0.3543 0.1313  -0.0635 -0.0713 329 LYS C CG  
999  C CD  . LYS C 37 ? 0.5738 0.4340 0.4351 0.1312  -0.0819 -0.0837 329 LYS C CD  
1000 C CE  . LYS C 37 ? 0.6763 0.5199 0.5146 0.1513  -0.1017 -0.1062 329 LYS C CE  
1001 N NZ  . LYS C 37 ? 0.7689 0.5742 0.6185 0.1446  -0.1245 -0.1176 329 LYS C NZ  
1002 N N   . GLN C 38 ? 0.2972 0.2564 0.2007 0.0930  -0.0082 -0.0161 330 GLN C N   
1003 C CA  . GLN C 38 ? 0.2957 0.2614 0.2159 0.0788  -0.0006 -0.0064 330 GLN C CA  
1004 C C   . GLN C 38 ? 0.2836 0.2606 0.2059 0.0778  0.0034  -0.0010 330 GLN C C   
1005 O O   . GLN C 38 ? 0.3169 0.3048 0.2328 0.0854  0.0097  0.0053  330 GLN C O   
1006 C CB  . GLN C 38 ? 0.3128 0.2852 0.2363 0.0787  0.0074  0.0005  330 GLN C CB  
1007 C CG  . GLN C 38 ? 0.3184 0.2789 0.2400 0.0809  0.0031  -0.0033 330 GLN C CG  
1008 C CD  . GLN C 38 ? 0.3017 0.2708 0.2304 0.0782  0.0096  0.0041  330 GLN C CD  
1009 O OE1 . GLN C 38 ? 0.3077 0.2829 0.2463 0.0681  0.0133  0.0094  330 GLN C OE1 
1010 N NE2 . GLN C 38 ? 0.3105 0.2789 0.2335 0.0886  0.0092  0.0027  330 GLN C NE2 
1011 N N   . LEU C 39 ? 0.2893 0.2651 0.2221 0.0689  0.0005  -0.0017 331 LEU C N   
1012 C CA  . LEU C 39 ? 0.2915 0.2749 0.2272 0.0691  0.0026  0.0024  331 LEU C CA  
1013 C C   . LEU C 39 ? 0.2869 0.2735 0.2317 0.0634  0.0104  0.0102  331 LEU C C   
1014 O O   . LEU C 39 ? 0.2878 0.2726 0.2399 0.0565  0.0118  0.0095  331 LEU C O   
1015 C CB  . LEU C 39 ? 0.2991 0.2830 0.2450 0.0635  -0.0038 -0.0020 331 LEU C CB  
1016 C CG  . LEU C 39 ? 0.3125 0.2909 0.2572 0.0645  -0.0160 -0.0110 331 LEU C CG  
1017 C CD1 . LEU C 39 ? 0.3153 0.3019 0.2764 0.0580  -0.0220 -0.0121 331 LEU C CD1 
1018 C CD2 . LEU C 39 ? 0.3421 0.3191 0.2671 0.0786  -0.0211 -0.0163 331 LEU C CD2 
1019 N N   . MET C 40 ? 0.2885 0.2789 0.2328 0.0666  0.0138  0.0177  332 MET C N   
1020 C CA  . MET C 40 ? 0.2734 0.2621 0.2286 0.0608  0.0170  0.0235  332 MET C CA  
1021 C C   . MET C 40 ? 0.2790 0.2639 0.2395 0.0604  0.0137  0.0209  332 MET C C   
1022 O O   . MET C 40 ? 0.2885 0.2748 0.2453 0.0662  0.0116  0.0231  332 MET C O   
1023 C CB  . MET C 40 ? 0.3041 0.2979 0.2607 0.0631  0.0216  0.0364  332 MET C CB  
1024 C CG  . MET C 40 ? 0.3062 0.3106 0.2562 0.0683  0.0262  0.0399  332 MET C CG  
1025 S SD  . MET C 40 ? 0.3268 0.3305 0.2828 0.0626  0.0262  0.0344  332 MET C SD  
1026 C CE  . MET C 40 ? 0.3487 0.3509 0.3248 0.0514  0.0255  0.0410  332 MET C CE  
1027 N N   . CYS C 41 ? 0.2633 0.2454 0.2306 0.0561  0.0131  0.0160  333 CYS C N   
1028 C CA  . CYS C 41 ? 0.2571 0.2370 0.2289 0.0590  0.0105  0.0124  333 CYS C CA  
1029 C C   . CYS C 41 ? 0.2715 0.2406 0.2469 0.0611  0.0083  0.0187  333 CYS C C   
1030 O O   . CYS C 41 ? 0.2848 0.2464 0.2657 0.0563  0.0077  0.0231  333 CYS C O   
1031 C CB  . CYS C 41 ? 0.2501 0.2317 0.2243 0.0576  0.0110  0.0053  333 CYS C CB  
1032 S SG  . CYS C 41 ? 0.2719 0.2547 0.2490 0.0666  0.0084  -0.0010 333 CYS C SG  
1033 N N   . ASP C 42 ? 0.2894 0.2569 0.2644 0.0678  0.0056  0.0201  334 ASP C N   
1034 C CA  . ASP C 42 ? 0.3102 0.2642 0.2895 0.0701  0.0024  0.0288  334 ASP C CA  
1035 C C   . ASP C 42 ? 0.3314 0.2697 0.3177 0.0718  -0.0036 0.0212  334 ASP C C   
1036 O O   . ASP C 42 ? 0.3774 0.2985 0.3697 0.0732  -0.0090 0.0278  334 ASP C O   
1037 C CB  . ASP C 42 ? 0.3254 0.2832 0.2991 0.0786  0.0011  0.0351  334 ASP C CB  
1038 C CG  . ASP C 42 ? 0.3570 0.3258 0.3209 0.0794  0.0054  0.0441  334 ASP C CG  
1039 O OD1 . ASP C 42 ? 0.3836 0.3511 0.3499 0.0750  0.0097  0.0557  334 ASP C OD1 
1040 O OD2 . ASP C 42 ? 0.3418 0.3220 0.2965 0.0848  0.0039  0.0386  334 ASP C OD2 
1041 N N   . GLU C 43 ? 0.3065 0.2492 0.2911 0.0727  -0.0037 0.0084  335 GLU C N   
1042 C CA  . GLU C 43 ? 0.3329 0.2607 0.3197 0.0762  -0.0106 -0.0014 335 GLU C CA  
1043 C C   . GLU C 43 ? 0.3251 0.2494 0.3138 0.0676  -0.0123 -0.0041 335 GLU C C   
1044 O O   . GLU C 43 ? 0.3606 0.2655 0.3580 0.0637  -0.0211 -0.0033 335 GLU C O   
1045 C CB  . GLU C 43 ? 0.3310 0.2701 0.3120 0.0883  -0.0097 -0.0142 335 GLU C CB  
1046 C CG  . GLU C 43 ? 0.3705 0.2953 0.3479 0.0967  -0.0177 -0.0282 335 GLU C CG  
1047 C CD  . GLU C 43 ? 0.4250 0.3624 0.3954 0.1140  -0.0165 -0.0401 335 GLU C CD  
1048 O OE1 . GLU C 43 ? 0.3457 0.3065 0.3185 0.1173  -0.0089 -0.0359 335 GLU C OE1 
1049 O OE2 . GLU C 43 ? 0.4952 0.4225 0.4579 0.1249  -0.0233 -0.0544 335 GLU C OE2 
1050 N N   . CYS C 44 ? 0.3179 0.2591 0.3004 0.0650  -0.0060 -0.0072 336 CYS C N   
1051 C CA  . CYS C 44 ? 0.3060 0.2458 0.2883 0.0599  -0.0088 -0.0115 336 CYS C CA  
1052 C C   . CYS C 44 ? 0.3063 0.2505 0.2956 0.0491  -0.0058 0.0000  336 CYS C C   
1053 O O   . CYS C 44 ? 0.3057 0.2493 0.2987 0.0442  -0.0098 -0.0019 336 CYS C O   
1054 C CB  . CYS C 44 ? 0.3129 0.2686 0.2840 0.0643  -0.0041 -0.0190 336 CYS C CB  
1055 S SG  . CYS C 44 ? 0.2782 0.2540 0.2472 0.0598  0.0069  -0.0102 336 CYS C SG  
1056 N N   . ASP C 45 ? 0.2853 0.2362 0.2753 0.0475  0.0004  0.0108  337 ASP C N   
1057 C CA  . ASP C 45 ? 0.2765 0.2359 0.2709 0.0419  0.0049  0.0221  337 ASP C CA  
1058 C C   . ASP C 45 ? 0.2798 0.2499 0.2686 0.0406  0.0083  0.0185  337 ASP C C   
1059 O O   . ASP C 45 ? 0.3010 0.2788 0.2945 0.0376  0.0109  0.0258  337 ASP C O   
1060 C CB  . ASP C 45 ? 0.2947 0.2478 0.3059 0.0345  0.0004  0.0317  337 ASP C CB  
1061 C CG  . ASP C 45 ? 0.3426 0.3094 0.3594 0.0323  0.0079  0.0489  337 ASP C CG  
1062 O OD1 . ASP C 45 ? 0.3637 0.3372 0.3687 0.0393  0.0141  0.0529  337 ASP C OD1 
1063 O OD2 . ASP C 45 ? 0.3721 0.3451 0.4052 0.0247  0.0068  0.0578  337 ASP C OD2 
1064 N N   . MET C 46 ? 0.2807 0.2534 0.2603 0.0438  0.0092  0.0099  338 MET C N   
1065 C CA  . MET C 46 ? 0.2600 0.2405 0.2338 0.0431  0.0126  0.0095  338 MET C CA  
1066 C C   . MET C 46 ? 0.2682 0.2522 0.2375 0.0450  0.0161  0.0129  338 MET C C   
1067 O O   . MET C 46 ? 0.2682 0.2516 0.2364 0.0476  0.0160  0.0131  338 MET C O   
1068 C CB  . MET C 46 ? 0.2450 0.2289 0.2126 0.0451  0.0126  0.0030  338 MET C CB  
1069 C CG  . MET C 46 ? 0.2584 0.2390 0.2249 0.0470  0.0069  -0.0039 338 MET C CG  
1070 S SD  . MET C 46 ? 0.3102 0.2918 0.2813 0.0424  0.0023  -0.0019 338 MET C SD  
1071 C CE  . MET C 46 ? 0.3302 0.3030 0.3191 0.0363  -0.0043 0.0017  338 MET C CE  
1072 N N   . ALA C 47 ? 0.2641 0.2506 0.2300 0.0452  0.0175  0.0144  339 ALA C N   
1073 C CA  . ALA C 47 ? 0.2624 0.2482 0.2217 0.0490  0.0178  0.0143  339 ALA C CA  
1074 C C   . ALA C 47 ? 0.2384 0.2202 0.1962 0.0466  0.0154  0.0109  339 ALA C C   
1075 O O   . ALA C 47 ? 0.2488 0.2314 0.2078 0.0436  0.0162  0.0119  339 ALA C O   
1076 C CB  . ALA C 47 ? 0.2913 0.2812 0.2481 0.0535  0.0197  0.0176  339 ALA C CB  
1077 N N   . PHE C 48 ? 0.2468 0.2246 0.2026 0.0481  0.0114  0.0080  340 PHE C N   
1078 C CA  . PHE C 48 ? 0.2512 0.2253 0.2124 0.0426  0.0075  0.0075  340 PHE C CA  
1079 C C   . PHE C 48 ? 0.2773 0.2398 0.2342 0.0459  -0.0008 0.0022  340 PHE C C   
1080 O O   . PHE C 48 ? 0.2799 0.2427 0.2334 0.0503  -0.0054 -0.0027 340 PHE C O   
1081 C CB  . PHE C 48 ? 0.2582 0.2417 0.2292 0.0385  0.0076  0.0080  340 PHE C CB  
1082 C CG  . PHE C 48 ? 0.2583 0.2518 0.2312 0.0384  0.0140  0.0102  340 PHE C CG  
1083 C CD1 . PHE C 48 ? 0.2385 0.2322 0.2084 0.0430  0.0154  0.0079  340 PHE C CD1 
1084 C CD2 . PHE C 48 ? 0.2522 0.2542 0.2294 0.0349  0.0176  0.0149  340 PHE C CD2 
1085 C CE1 . PHE C 48 ? 0.2251 0.2230 0.1949 0.0448  0.0180  0.0065  340 PHE C CE1 
1086 C CE2 . PHE C 48 ? 0.2584 0.2702 0.2327 0.0390  0.0223  0.0140  340 PHE C CE2 
1087 C CZ  . PHE C 48 ? 0.2426 0.2499 0.2126 0.0443  0.0212  0.0078  340 PHE C CZ  
1088 N N   . HIS C 49 ? 0.2817 0.2322 0.2374 0.0454  -0.0048 0.0022  341 HIS C N   
1089 C CA  . HIS C 49 ? 0.3078 0.2420 0.2604 0.0489  -0.0167 -0.0055 341 HIS C CA  
1090 C C   . HIS C 49 ? 0.3025 0.2372 0.2691 0.0400  -0.0249 -0.0068 341 HIS C C   
1091 O O   . HIS C 49 ? 0.2915 0.2344 0.2743 0.0287  -0.0220 0.0019  341 HIS C O   
1092 C CB  . HIS C 49 ? 0.3231 0.2393 0.2768 0.0478  -0.0224 -0.0040 341 HIS C CB  
1093 C CG  . HIS C 49 ? 0.3165 0.2304 0.2569 0.0596  -0.0186 -0.0055 341 HIS C CG  
1094 N ND1 . HIS C 49 ? 0.3334 0.2488 0.2764 0.0571  -0.0134 0.0029  341 HIS C ND1 
1095 C CD2 . HIS C 49 ? 0.3490 0.2606 0.2744 0.0751  -0.0204 -0.0137 341 HIS C CD2 
1096 C CE1 . HIS C 49 ? 0.3412 0.2562 0.2739 0.0696  -0.0121 0.0000  341 HIS C CE1 
1097 N NE2 . HIS C 49 ? 0.3493 0.2626 0.2712 0.0814  -0.0157 -0.0098 341 HIS C NE2 
1098 N N   . ILE C 50 ? 0.3200 0.2476 0.2807 0.0462  -0.0360 -0.0175 342 ILE C N   
1099 C CA  . ILE C 50 ? 0.3310 0.2604 0.3085 0.0373  -0.0469 -0.0196 342 ILE C CA  
1100 C C   . ILE C 50 ? 0.3589 0.2770 0.3576 0.0229  -0.0545 -0.0131 342 ILE C C   
1101 O O   . ILE C 50 ? 0.3591 0.2892 0.3812 0.0104  -0.0571 -0.0063 342 ILE C O   
1102 C CB  . ILE C 50 ? 0.3465 0.2687 0.3114 0.0483  -0.0610 -0.0343 342 ILE C CB  
1103 C CG1 . ILE C 50 ? 0.4076 0.3044 0.3561 0.0593  -0.0732 -0.0468 342 ILE C CG1 
1104 C CG2 . ILE C 50 ? 0.3270 0.2667 0.2761 0.0597  -0.0510 -0.0339 342 ILE C CG2 
1105 C CD1 . ILE C 50 ? 0.4446 0.3343 0.3762 0.0735  -0.0892 -0.0641 342 ILE C CD1 
1106 N N   . TYR C 51 ? 0.3386 0.2351 0.3315 0.0248  -0.0583 -0.0134 343 TYR C N   
1107 C CA  . TYR C 51 ? 0.3558 0.2375 0.3698 0.0108  -0.0668 -0.0045 343 TYR C CA  
1108 C C   . TYR C 51 ? 0.3311 0.2269 0.3540 0.0021  -0.0513 0.0149  343 TYR C C   
1109 O O   . TYR C 51 ? 0.3674 0.2557 0.4097 -0.0104 -0.0556 0.0278  343 TYR C O   
1110 C CB  . TYR C 51 ? 0.4010 0.2481 0.4029 0.0197  -0.0815 -0.0155 343 TYR C CB  
1111 C CG  . TYR C 51 ? 0.4009 0.2440 0.3747 0.0387  -0.0735 -0.0220 343 TYR C CG  
1112 C CD1 . TYR C 51 ? 0.3869 0.2355 0.3580 0.0387  -0.0603 -0.0098 343 TYR C CD1 
1113 C CD2 . TYR C 51 ? 0.4348 0.2705 0.3854 0.0577  -0.0803 -0.0398 343 TYR C CD2 
1114 C CE1 . TYR C 51 ? 0.4142 0.2628 0.3647 0.0554  -0.0543 -0.0150 343 TYR C CE1 
1115 C CE2 . TYR C 51 ? 0.4707 0.3078 0.3994 0.0757  -0.0725 -0.0438 343 TYR C CE2 
1116 C CZ  . TYR C 51 ? 0.4480 0.2914 0.3790 0.0736  -0.0601 -0.0312 343 TYR C CZ  
1117 O OH  . TYR C 51 ? 0.4481 0.2956 0.3619 0.0911  -0.0539 -0.0345 343 TYR C OH  
1118 N N   . CYS C 52 ? 0.3077 0.2236 0.3175 0.0090  -0.0348 0.0176  344 CYS C N   
1119 C CA  . CYS C 52 ? 0.2976 0.2303 0.3123 0.0036  -0.0214 0.0332  344 CYS C CA  
1120 C C   . CYS C 52 ? 0.3023 0.2640 0.3325 -0.0033 -0.0135 0.0410  344 CYS C C   
1121 O O   . CYS C 52 ? 0.3109 0.2888 0.3506 -0.0091 -0.0048 0.0561  344 CYS C O   
1122 C CB  . CYS C 52 ? 0.2850 0.2220 0.2789 0.0149  -0.0112 0.0306  344 CYS C CB  
1123 S SG  . CYS C 52 ? 0.3464 0.2578 0.3269 0.0234  -0.0171 0.0281  344 CYS C SG  
1124 N N   . LEU C 53 ? 0.2937 0.2642 0.3246 0.0000  -0.0158 0.0313  345 LEU C N   
1125 C CA  . LEU C 53 ? 0.3007 0.2993 0.3474 -0.0040 -0.0099 0.0370  345 LEU C CA  
1126 C C   . LEU C 53 ? 0.3240 0.3305 0.4011 -0.0193 -0.0156 0.0502  345 LEU C C   
1127 O O   . LEU C 53 ? 0.3578 0.3425 0.4451 -0.0271 -0.0301 0.0489  345 LEU C O   
1128 C CB  . LEU C 53 ? 0.3034 0.3044 0.3445 0.0033  -0.0148 0.0238  345 LEU C CB  
1129 C CG  . LEU C 53 ? 0.3078 0.3061 0.3250 0.0163  -0.0076 0.0159  345 LEU C CG  
1130 C CD1 . LEU C 53 ? 0.3486 0.3426 0.3586 0.0234  -0.0154 0.0053  345 LEU C CD1 
1131 C CD2 . LEU C 53 ? 0.2925 0.3099 0.3083 0.0202  0.0045  0.0200  345 LEU C CD2 
1132 N N   . ASP C 54 ? 0.3388 0.3778 0.4313 -0.0227 -0.0045 0.0632  346 ASP C N   
1133 C CA  . ASP C 54 ? 0.3678 0.4233 0.4946 -0.0386 -0.0065 0.0817  346 ASP C CA  
1134 C C   . ASP C 54 ? 0.3764 0.4678 0.5229 -0.0383 -0.0030 0.0833  346 ASP C C   
1135 O O   . ASP C 54 ? 0.3990 0.5181 0.5382 -0.0284 0.0124  0.0872  346 ASP C O   
1136 C CB  . ASP C 54 ? 0.4145 0.4816 0.5411 -0.0410 0.0069  0.1021  346 ASP C CB  
1137 C CG  . ASP C 54 ? 0.4683 0.5543 0.6320 -0.0587 0.0072  0.1279  346 ASP C CG  
1138 O OD1 . ASP C 54 ? 0.4575 0.5450 0.6518 -0.0716 -0.0058 0.1287  346 ASP C OD1 
1139 O OD2 . ASP C 54 ? 0.5552 0.6554 0.7175 -0.0592 0.0201  0.1478  346 ASP C OD2 
1140 N N   . PRO C 55 ? 0.3866 0.4787 0.5566 -0.0468 -0.0184 0.0785  347 PRO C N   
1141 C CA  . PRO C 55 ? 0.4010 0.4584 0.5792 -0.0571 -0.0400 0.0714  347 PRO C CA  
1142 C C   . PRO C 55 ? 0.3984 0.4217 0.5419 -0.0432 -0.0493 0.0476  347 PRO C C   
1143 O O   . PRO C 55 ? 0.3683 0.3975 0.4877 -0.0282 -0.0411 0.0371  347 PRO C O   
1144 C CB  . PRO C 55 ? 0.4163 0.4949 0.6332 -0.0692 -0.0531 0.0743  347 PRO C CB  
1145 C CG  . PRO C 55 ? 0.4083 0.5213 0.6200 -0.0561 -0.0412 0.0703  347 PRO C CG  
1146 C CD  . PRO C 55 ? 0.3895 0.5180 0.5818 -0.0460 -0.0173 0.0799  347 PRO C CD  
1147 N N   . PRO C 56 ? 0.3959 0.3822 0.5346 -0.0463 -0.0656 0.0398  348 PRO C N   
1148 C CA  . PRO C 56 ? 0.4036 0.3629 0.5071 -0.0299 -0.0714 0.0191  348 PRO C CA  
1149 C C   . PRO C 56 ? 0.3937 0.3538 0.4915 -0.0220 -0.0847 0.0016  348 PRO C C   
1150 O O   . PRO C 56 ? 0.4203 0.3915 0.5451 -0.0319 -0.0976 0.0019  348 PRO C O   
1151 C CB  . PRO C 56 ? 0.4450 0.3674 0.5477 -0.0341 -0.0848 0.0175  348 PRO C CB  
1152 C CG  . PRO C 56 ? 0.4553 0.3791 0.5997 -0.0555 -0.0982 0.0301  348 PRO C CG  
1153 C CD  . PRO C 56 ? 0.4324 0.4011 0.5980 -0.0637 -0.0785 0.0512  348 PRO C CD  
1154 N N   . LEU C 57 ? 0.3736 0.3233 0.4371 -0.0040 -0.0822 -0.0121 349 LEU C N   
1155 C CA  . LEU C 57 ? 0.4158 0.3642 0.4661 0.0073  -0.0945 -0.0283 349 LEU C CA  
1156 C C   . LEU C 57 ? 0.4521 0.3675 0.4851 0.0156  -0.1132 -0.0450 349 LEU C C   
1157 O O   . LEU C 57 ? 0.4590 0.3554 0.4756 0.0215  -0.1088 -0.0459 349 LEU C O   
1158 C CB  . LEU C 57 ? 0.4061 0.3680 0.4307 0.0229  -0.0790 -0.0295 349 LEU C CB  
1159 C CG  . LEU C 57 ? 0.3929 0.3846 0.4308 0.0203  -0.0663 -0.0193 349 LEU C CG  
1160 C CD1 . LEU C 57 ? 0.4216 0.4280 0.4793 0.0087  -0.0528 -0.0039 349 LEU C CD1 
1161 C CD2 . LEU C 57 ? 0.3974 0.3919 0.4091 0.0354  -0.0548 -0.0209 349 LEU C CD2 
1162 N N   . SER C 58 ? 0.5162 0.4259 0.5518 0.0182  -0.1351 -0.0596 350 SER C N   
1163 C CA  . SER C 58 ? 0.5764 0.4539 0.5914 0.0305  -0.1560 -0.0800 350 SER C CA  
1164 C C   . SER C 58 ? 0.5668 0.4464 0.5378 0.0573  -0.1494 -0.0919 350 SER C C   
1165 O O   . SER C 58 ? 0.6052 0.4617 0.5513 0.0732  -0.1601 -0.1074 350 SER C O   
1166 C CB  . SER C 58 ? 0.6254 0.4921 0.6619 0.0221  -0.1863 -0.0926 350 SER C CB  
1167 O OG  . SER C 58 ? 0.6826 0.5748 0.7197 0.0269  -0.1902 -0.0969 350 SER C OG  
1168 N N   . SER C 59 ? 0.5003 0.4074 0.4615 0.0639  -0.1319 -0.0836 351 SER C N   
1169 C CA  . SER C 59 ? 0.5174 0.4293 0.4404 0.0875  -0.1233 -0.0890 351 SER C CA  
1170 C C   . SER C 59 ? 0.4685 0.4057 0.3907 0.0872  -0.0992 -0.0717 351 SER C C   
1171 O O   . SER C 59 ? 0.4399 0.3906 0.3871 0.0723  -0.0922 -0.0603 351 SER C O   
1172 C CB  . SER C 59 ? 0.5782 0.4889 0.4810 0.1042  -0.1427 -0.1067 351 SER C CB  
1173 O OG  . SER C 59 ? 0.5823 0.5117 0.5052 0.0952  -0.1482 -0.1030 351 SER C OG  
1174 N N   . VAL C 60 ? 0.4636 0.4077 0.3574 0.1049  -0.0875 -0.0697 352 VAL C N   
1175 C CA  . VAL C 60 ? 0.4406 0.4042 0.3342 0.1049  -0.0679 -0.0535 352 VAL C CA  
1176 C C   . VAL C 60 ? 0.4254 0.4027 0.3228 0.1068  -0.0741 -0.0531 352 VAL C C   
1177 O O   . VAL C 60 ? 0.4612 0.4392 0.3400 0.1210  -0.0867 -0.0633 352 VAL C O   
1178 C CB  . VAL C 60 ? 0.4421 0.4118 0.3091 0.1220  -0.0550 -0.0483 352 VAL C CB  
1179 C CG1 . VAL C 60 ? 0.4295 0.4162 0.2980 0.1217  -0.0384 -0.0307 352 VAL C CG1 
1180 C CG2 . VAL C 60 ? 0.4623 0.4222 0.3280 0.1213  -0.0488 -0.0483 352 VAL C CG2 
1181 N N   . PRO C 61 ? 0.4096 0.3987 0.3291 0.0952  -0.0669 -0.0426 353 PRO C N   
1182 C CA  . PRO C 61 ? 0.4109 0.4141 0.3347 0.0992  -0.0732 -0.0420 353 PRO C CA  
1183 C C   . PRO C 61 ? 0.4237 0.4331 0.3193 0.1182  -0.0698 -0.0380 353 PRO C C   
1184 O O   . PRO C 61 ? 0.4459 0.4551 0.3284 0.1235  -0.0549 -0.0273 353 PRO C O   
1185 C CB  . PRO C 61 ? 0.3930 0.4070 0.3412 0.0875  -0.0614 -0.0303 353 PRO C CB  
1186 C CG  . PRO C 61 ? 0.3783 0.3845 0.3400 0.0737  -0.0548 -0.0282 353 PRO C CG  
1187 C CD  . PRO C 61 ? 0.4017 0.3923 0.3415 0.0805  -0.0539 -0.0324 353 PRO C CD  
1188 N N   . SER C 62 ? 0.4263 0.4436 0.3159 0.1275  -0.0840 -0.0445 354 SER C N   
1189 C CA  . SER C 62 ? 0.4452 0.4717 0.3090 0.1463  -0.0821 -0.0383 354 SER C CA  
1190 C C   . SER C 62 ? 0.4181 0.4543 0.2973 0.1430  -0.0741 -0.0240 354 SER C C   
1191 O O   . SER C 62 ? 0.4467 0.4932 0.3314 0.1476  -0.0854 -0.0268 354 SER C O   
1192 C CB  . SER C 62 ? 0.5382 0.5675 0.3841 0.1607  -0.1040 -0.0545 354 SER C CB  
1193 O OG  . SER C 62 ? 0.6221 0.6634 0.4419 0.1802  -0.1012 -0.0454 354 SER C OG  
1194 N N   . GLU C 63 ? 0.3681 0.4001 0.2551 0.1357  -0.0566 -0.0102 355 GLU C N   
1195 C CA  . GLU C 63 ? 0.3642 0.3993 0.2667 0.1329  -0.0502 0.0007  355 GLU C CA  
1196 C C   . GLU C 63 ? 0.3685 0.3970 0.2617 0.1361  -0.0354 0.0183  355 GLU C C   
1197 O O   . GLU C 63 ? 0.3983 0.4230 0.2816 0.1352  -0.0273 0.0222  355 GLU C O   
1198 C CB  . GLU C 63 ? 0.3375 0.3723 0.2683 0.1166  -0.0474 -0.0034 355 GLU C CB  
1199 C CG  . GLU C 63 ? 0.3440 0.3889 0.2930 0.1098  -0.0613 -0.0159 355 GLU C CG  
1200 C CD  . GLU C 63 ? 0.3354 0.3969 0.2946 0.1165  -0.0725 -0.0177 355 GLU C CD  
1201 O OE1 . GLU C 63 ? 0.3700 0.4393 0.3338 0.1166  -0.0897 -0.0285 355 GLU C OE1 
1202 O OE2 . GLU C 63 ? 0.3234 0.3900 0.2867 0.1229  -0.0669 -0.0093 355 GLU C OE2 
1203 N N   . ASP C 64 ? 0.3834 0.4102 0.2832 0.1391  -0.0329 0.0292  356 ASP C N   
1204 C CA  . ASP C 64 ? 0.3820 0.3994 0.2791 0.1395  -0.0217 0.0479  356 ASP C CA  
1205 C C   . ASP C 64 ? 0.3860 0.3923 0.2997 0.1248  -0.0131 0.0483  356 ASP C C   
1206 O O   . ASP C 64 ? 0.3991 0.4007 0.3112 0.1213  -0.0044 0.0605  356 ASP C O   
1207 C CB  . ASP C 64 ? 0.4104 0.4235 0.3108 0.1475  -0.0245 0.0588  356 ASP C CB  
1208 C CG  . ASP C 64 ? 0.4696 0.4939 0.3500 0.1648  -0.0321 0.0641  356 ASP C CG  
1209 O OD1 . ASP C 64 ? 0.5100 0.5447 0.3696 0.1723  -0.0333 0.0618  356 ASP C OD1 
1210 O OD2 . ASP C 64 ? 0.4746 0.4973 0.3587 0.1727  -0.0375 0.0694  356 ASP C OD2 
1211 N N   . GLU C 65 ? 0.3198 0.3255 0.2497 0.1165  -0.0157 0.0354  357 GLU C N   
1212 C CA  . GLU C 65 ? 0.2998 0.2964 0.2428 0.1052  -0.0095 0.0336  357 GLU C CA  
1213 C C   . GLU C 65 ? 0.2875 0.2928 0.2396 0.0983  -0.0122 0.0195  357 GLU C C   
1214 O O   . GLU C 65 ? 0.2875 0.3042 0.2419 0.1014  -0.0199 0.0128  357 GLU C O   
1215 C CB  . GLU C 65 ? 0.3076 0.2917 0.2625 0.1050  -0.0091 0.0367  357 GLU C CB  
1216 C CG  . GLU C 65 ? 0.3567 0.3264 0.3095 0.1074  -0.0073 0.0537  357 GLU C CG  
1217 C CD  . GLU C 65 ? 0.4118 0.3818 0.3569 0.1197  -0.0115 0.0642  357 GLU C CD  
1218 O OE1 . GLU C 65 ? 0.4259 0.4015 0.3729 0.1281  -0.0183 0.0563  357 GLU C OE1 
1219 O OE2 . GLU C 65 ? 0.4420 0.4072 0.3813 0.1215  -0.0080 0.0834  357 GLU C OE2 
1220 N N   . TRP C 66 ? 0.2700 0.2708 0.2284 0.0887  -0.0066 0.0168  358 TRP C N   
1221 C CA  . TRP C 66 ? 0.2554 0.2644 0.2241 0.0813  -0.0073 0.0081  358 TRP C CA  
1222 C C   . TRP C 66 ? 0.2527 0.2573 0.2285 0.0767  -0.0012 0.0074  358 TRP C C   
1223 O O   . TRP C 66 ? 0.2772 0.2696 0.2489 0.0753  0.0021  0.0117  358 TRP C O   
1224 C CB  . TRP C 66 ? 0.2593 0.2672 0.2217 0.0764  -0.0088 0.0047  358 TRP C CB  
1225 C CG  . TRP C 66 ? 0.2428 0.2562 0.2181 0.0670  -0.0098 -0.0002 358 TRP C CG  
1226 C CD1 . TRP C 66 ? 0.2522 0.2762 0.2403 0.0631  -0.0174 -0.0043 358 TRP C CD1 
1227 C CD2 . TRP C 66 ? 0.2618 0.2712 0.2398 0.0595  -0.0034 0.0009  358 TRP C CD2 
1228 N NE1 . TRP C 66 ? 0.2664 0.2933 0.2664 0.0528  -0.0148 -0.0032 358 TRP C NE1 
1229 C CE2 . TRP C 66 ? 0.2465 0.2644 0.2381 0.0518  -0.0061 -0.0004 358 TRP C CE2 
1230 C CE3 . TRP C 66 ? 0.2673 0.2682 0.2390 0.0584  0.0031  0.0039  358 TRP C CE3 
1231 C CZ2 . TRP C 66 ? 0.2582 0.2751 0.2538 0.0444  -0.0013 0.0024  358 TRP C CZ2 
1232 C CZ3 . TRP C 66 ? 0.2644 0.2649 0.2394 0.0520  0.0065  0.0039  358 TRP C CZ3 
1233 C CH2 . TRP C 66 ? 0.2533 0.2616 0.2385 0.0459  0.0050  0.0038  358 TRP C CH2 
1234 N N   . TYR C 67 ? 0.2516 0.2686 0.2385 0.0756  -0.0004 0.0028  359 TYR C N   
1235 C CA  . TYR C 67 ? 0.2341 0.2506 0.2235 0.0754  0.0045  0.0002  359 TYR C CA  
1236 C C   . TYR C 67 ? 0.2371 0.2677 0.2333 0.0678  0.0083  -0.0001 359 TYR C C   
1237 O O   . TYR C 67 ? 0.2527 0.2995 0.2604 0.0648  0.0062  0.0010  359 TYR C O   
1238 C CB  . TYR C 67 ? 0.2483 0.2700 0.2423 0.0866  0.0035  -0.0032 359 TYR C CB  
1239 C CG  . TYR C 67 ? 0.2522 0.2560 0.2409 0.0935  -0.0013 0.0000  359 TYR C CG  
1240 C CD1 . TYR C 67 ? 0.2816 0.2632 0.2659 0.0932  -0.0024 0.0011  359 TYR C CD1 
1241 C CD2 . TYR C 67 ? 0.2692 0.2787 0.2591 0.0998  -0.0061 0.0030  359 TYR C CD2 
1242 C CE1 . TYR C 67 ? 0.3077 0.2722 0.2906 0.0974  -0.0069 0.0083  359 TYR C CE1 
1243 C CE2 . TYR C 67 ? 0.2715 0.2649 0.2557 0.1062  -0.0100 0.0096  359 TYR C CE2 
1244 C CZ  . TYR C 67 ? 0.2840 0.2542 0.2658 0.1048  -0.0100 0.0133  359 TYR C CZ  
1245 O OH  . TYR C 67 ? 0.3083 0.2616 0.2881 0.1096  -0.0140 0.0236  359 TYR C OH  
1246 N N   . CYS C 68 ? 0.2490 0.2733 0.2395 0.0645  0.0125  -0.0004 360 CYS C N   
1247 C CA  . CYS C 68 ? 0.2571 0.2908 0.2511 0.0572  0.0163  0.0024  360 CYS C CA  
1248 C C   . CYS C 68 ? 0.2278 0.2849 0.2304 0.0608  0.0217  0.0039  360 CYS C C   
1249 O O   . CYS C 68 ? 0.2237 0.2900 0.2273 0.0716  0.0230  0.0000  360 CYS C O   
1250 C CB  . CYS C 68 ? 0.2493 0.2699 0.2329 0.0545  0.0182  0.0022  360 CYS C CB  
1251 S SG  . CYS C 68 ? 0.2735 0.2952 0.2496 0.0628  0.0207  -0.0036 360 CYS C SG  
1252 N N   . PRO C 69 ? 0.2380 0.3090 0.2493 0.0529  0.0255  0.0115  361 PRO C N   
1253 C CA  . PRO C 69 ? 0.2501 0.3506 0.2717 0.0562  0.0331  0.0175  361 PRO C CA  
1254 C C   . PRO C 69 ? 0.2374 0.3441 0.2441 0.0704  0.0393  0.0119  361 PRO C C   
1255 O O   . PRO C 69 ? 0.2590 0.3900 0.2699 0.0815  0.0446  0.0117  361 PRO C O   
1256 C CB  . PRO C 69 ? 0.2627 0.3692 0.2945 0.0427  0.0353  0.0302  361 PRO C CB  
1257 C CG  . PRO C 69 ? 0.2783 0.3583 0.3091 0.0334  0.0253  0.0272  361 PRO C CG  
1258 C CD  . PRO C 69 ? 0.2546 0.3132 0.2669 0.0413  0.0222  0.0161  361 PRO C CD  
1259 N N   . GLU C 70 ? 0.2491 0.3336 0.2382 0.0717  0.0370  0.0058  362 GLU C N   
1260 C CA  . GLU C 70 ? 0.2771 0.3636 0.2502 0.0863  0.0387  -0.0030 362 GLU C CA  
1261 C C   . GLU C 70 ? 0.2790 0.3566 0.2503 0.0987  0.0331  -0.0146 362 GLU C C   
1262 O O   . GLU C 70 ? 0.2856 0.3779 0.2511 0.1150  0.0359  -0.0212 362 GLU C O   
1263 C CB  . GLU C 70 ? 0.3257 0.3912 0.2843 0.0834  0.0344  -0.0072 362 GLU C CB  
1264 C CG  . GLU C 70 ? 0.3277 0.4040 0.2838 0.0768  0.0403  0.0037  362 GLU C CG  
1265 C CD  . GLU C 70 ? 0.3543 0.4138 0.2986 0.0731  0.0358  0.0022  362 GLU C CD  
1266 O OE1 . GLU C 70 ? 0.4074 0.4499 0.3447 0.0763  0.0281  -0.0085 362 GLU C OE1 
1267 O OE2 . GLU C 70 ? 0.5352 0.5980 0.4788 0.0669  0.0388  0.0122  362 GLU C OE2 
1268 N N   . CYS C 71 ? 0.2709 0.3250 0.2456 0.0931  0.0255  -0.0165 363 CYS C N   
1269 C CA  . CYS C 71 ? 0.2942 0.3350 0.2678 0.1040  0.0190  -0.0248 363 CYS C CA  
1270 C C   . CYS C 71 ? 0.2653 0.3298 0.2498 0.1130  0.0221  -0.0232 363 CYS C C   
1271 O O   . CYS C 71 ? 0.2825 0.3468 0.2637 0.1296  0.0195  -0.0318 363 CYS C O   
1272 C CB  . CYS C 71 ? 0.2883 0.3014 0.2634 0.0964  0.0114  -0.0228 363 CYS C CB  
1273 S SG  . CYS C 71 ? 0.2848 0.2741 0.2525 0.0878  0.0065  -0.0246 363 CYS C SG  
1274 N N   . ARG C 72 ? 0.2435 0.3296 0.2427 0.1030  0.0264  -0.0128 364 ARG C N   
1275 C CA  . ARG C 72 ? 0.2460 0.3623 0.2612 0.1098  0.0290  -0.0097 364 ARG C CA  
1276 C C   . ARG C 72 ? 0.2534 0.4058 0.2721 0.1203  0.0397  -0.0073 364 ARG C C   
1277 O O   . ARG C 72 ? 0.2535 0.4346 0.2847 0.1311  0.0430  -0.0060 364 ARG C O   
1278 C CB  . ARG C 72 ? 0.2331 0.3604 0.2668 0.0938  0.0270  0.0003  364 ARG C CB  
1279 C CG  . ARG C 72 ? 0.2578 0.3583 0.2870 0.0873  0.0172  -0.0013 364 ARG C CG  
1280 C CD  . ARG C 72 ? 0.2694 0.3801 0.3148 0.0751  0.0115  0.0042  364 ARG C CD  
1281 N NE  . ARG C 72 ? 0.2808 0.4051 0.3385 0.0620  0.0155  0.0122  364 ARG C NE  
1282 C CZ  . ARG C 72 ? 0.3010 0.4098 0.3575 0.0492  0.0115  0.0147  364 ARG C CZ  
1283 N NH1 . ARG C 72 ? 0.3245 0.4067 0.3658 0.0485  0.0050  0.0092  364 ARG C NH1 
1284 N NH2 . ARG C 72 ? 0.3263 0.4494 0.3995 0.0377  0.0137  0.0243  364 ARG C NH2 
1285 N N   . ASN C 73 ? 0.2828 0.4355 0.2881 0.1204  0.0454  -0.0070 365 ASN C N   
1286 C CA  . ASN C 73 ? 0.3397 0.5288 0.3436 0.1313  0.0572  -0.0021 365 ASN C CA  
1287 C C   . ASN C 73 ? 0.3659 0.5946 0.3989 0.1205  0.0651  0.0163  365 ASN C C   
1288 O O   . ASN C 73 ? 0.3617 0.6300 0.4051 0.1333  0.0738  0.0210  365 ASN C O   
1289 C CB  . ASN C 73 ? 0.3856 0.5806 0.3755 0.1584  0.0572  -0.0169 365 ASN C CB  
1290 C CG  . ASN C 73 ? 0.4949 0.7173 0.4684 0.1746  0.0679  -0.0172 365 ASN C CG  
1291 O OD1 . ASN C 73 ? 0.5441 0.7863 0.5203 0.1645  0.0771  -0.0023 365 ASN C OD1 
1292 N ND2 . ASN C 73 ? 0.5522 0.7725 0.5063 0.2010  0.0652  -0.0347 365 ASN C ND2 
1293 N N   . ASP C 74 ? 0.3922 0.6108 0.4392 0.0977  0.0614  0.0269  366 ASP C N   
1294 C CA  . ASP C 74 ? 0.4794 0.7304 0.5583 0.0837  0.0652  0.0450  366 ASP C CA  
1295 C C   . ASP C 74 ? 0.5576 0.8495 0.6403 0.0892  0.0810  0.0605  366 ASP C C   
1296 O O   . ASP C 74 ? 0.5825 0.8621 0.6406 0.0934  0.0853  0.0591  366 ASP C O   
1297 C CB  . ASP C 74 ? 0.4988 0.7251 0.5869 0.0605  0.0566  0.0516  366 ASP C CB  
1298 C CG  . ASP C 74 ? 0.5126 0.7093 0.6018 0.0542  0.0418  0.0409  366 ASP C CG  
1299 O OD1 . ASP C 74 ? 0.4692 0.6674 0.5575 0.0654  0.0377  0.0316  366 ASP C OD1 
1300 O OD2 . ASP C 74 ? 0.5534 0.7264 0.6433 0.0398  0.0341  0.0425  366 ASP C OD2 
1301 N N   . ARG D 3  ? 0.7076 0.6640 0.6561 0.1812  -0.1498 0.0863  87  ARG D N   
1302 C CA  . ARG D 3  ? 0.6257 0.6379 0.5878 0.1695  -0.1240 0.0676  87  ARG D CA  
1303 C C   . ARG D 3  ? 0.5296 0.5620 0.5168 0.1592  -0.0908 0.0532  87  ARG D C   
1304 O O   . ARG D 3  ? 0.5448 0.5484 0.5287 0.1566  -0.0842 0.0627  87  ARG D O   
1305 C CB  . ARG D 3  ? 0.6425 0.6470 0.5529 0.1481  -0.1145 0.0860  87  ARG D CB  
1306 C CG  . ARG D 3  ? 0.7051 0.6825 0.5783 0.1542  -0.1500 0.1044  87  ARG D CG  
1307 C CD  . ARG D 3  ? 0.7337 0.7344 0.6460 0.1824  -0.1850 0.0850  87  ARG D CD  
1308 N NE  . ARG D 3  ? 0.6940 0.7554 0.6325 0.1776  -0.1726 0.0585  87  ARG D NE  
1309 C CZ  . ARG D 3  ? 0.6918 0.8002 0.6758 0.1948  -0.1924 0.0321  87  ARG D CZ  
1310 N NH1 . ARG D 3  ? 0.6867 0.8427 0.6806 0.1805  -0.1805 0.0135  87  ARG D NH1 
1311 N NH2 . ARG D 3  ? 0.7078 0.8174 0.7289 0.2261  -0.2260 0.0218  87  ARG D NH2 
1312 N N   . VAL D 4  ? 0.4725 0.5493 0.4783 0.1500  -0.0727 0.0327  88  VAL D N   
1313 C CA  . VAL D 4  ? 0.3649 0.4591 0.3894 0.1386  -0.0465 0.0188  88  VAL D CA  
1314 C C   . VAL D 4  ? 0.3615 0.4266 0.3545 0.1227  -0.0271 0.0376  88  VAL D C   
1315 O O   . VAL D 4  ? 0.4352 0.4972 0.4022 0.1122  -0.0198 0.0444  88  VAL D O   
1316 C CB  . VAL D 4  ? 0.3283 0.4694 0.3720 0.1253  -0.0335 -0.0049 88  VAL D CB  
1317 C CG1 . VAL D 4  ? 0.3262 0.4673 0.3668 0.1063  -0.0084 -0.0092 88  VAL D CG1 
1318 C CG2 . VAL D 4  ? 0.3086 0.4985 0.3984 0.1394  -0.0469 -0.0328 88  VAL D CG2 
1319 N N   . ARG D 5  ? 0.3189 0.3673 0.3179 0.1224  -0.0197 0.0414  89  ARG D N   
1320 C CA  . ARG D 5  ? 0.3322 0.3608 0.3114 0.1104  -0.0046 0.0559  89  ARG D CA  
1321 C C   . ARG D 5  ? 0.2923 0.3338 0.2720 0.0989  0.0124  0.0459  89  ARG D C   
1322 O O   . ARG D 5  ? 0.2811 0.3396 0.2758 0.0951  0.0162  0.0306  89  ARG D O   
1323 C CB  . ARG D 5  ? 0.3593 0.3658 0.3462 0.1123  -0.0064 0.0624  89  ARG D CB  
1324 C CG  . ARG D 5  ? 0.4224 0.3990 0.4041 0.1220  -0.0283 0.0741  89  ARG D CG  
1325 C CD  . ARG D 5  ? 0.4439 0.3940 0.4364 0.1238  -0.0332 0.0745  89  ARG D CD  
1326 N NE  . ARG D 5  ? 0.4051 0.3744 0.4290 0.1329  -0.0297 0.0486  89  ARG D NE  
1327 C CZ  . ARG D 5  ? 0.3970 0.3702 0.4270 0.1239  -0.0161 0.0415  89  ARG D CZ  
1328 N NH1 . ARG D 5  ? 0.4207 0.3833 0.4359 0.1079  -0.0055 0.0569  89  ARG D NH1 
1329 N NH2 . ARG D 5  ? 0.3784 0.3741 0.4305 0.1298  -0.0123 0.0157  89  ARG D NH2 
1330 N N   . THR D 6  ? 0.2938 0.3263 0.2544 0.0926  0.0213  0.0536  90  THR D N   
1331 C CA  . THR D 6  ? 0.3064 0.3349 0.2628 0.0852  0.0310  0.0479  90  THR D CA  
1332 C C   . THR D 6  ? 0.2993 0.3179 0.2596 0.0858  0.0358  0.0551  90  THR D C   
1333 O O   . THR D 6  ? 0.3240 0.3418 0.2868 0.0873  0.0360  0.0649  90  THR D O   
1334 C CB  . THR D 6  ? 0.3345 0.3602 0.2725 0.0830  0.0332  0.0438  90  THR D CB  
1335 O OG1 . THR D 6  ? 0.3603 0.3870 0.2892 0.0876  0.0372  0.0508  90  THR D OG1 
1336 C CG2 . THR D 6  ? 0.3482 0.3861 0.2828 0.0785  0.0272  0.0347  90  THR D CG2 
1337 N N   . LEU D 7  ? 0.3055 0.3150 0.2635 0.0817  0.0375  0.0509  91  LEU D N   
1338 C CA  . LEU D 7  ? 0.3066 0.3112 0.2714 0.0842  0.0379  0.0552  91  LEU D CA  
1339 C C   . LEU D 7  ? 0.3072 0.3231 0.2745 0.0907  0.0427  0.0564  91  LEU D C   
1340 O O   . LEU D 7  ? 0.3157 0.3438 0.2953 0.0897  0.0462  0.0612  91  LEU D O   
1341 C CB  . LEU D 7  ? 0.3251 0.3118 0.2802 0.0799  0.0326  0.0521  91  LEU D CB  
1342 C CG  . LEU D 7  ? 0.3363 0.3202 0.3009 0.0846  0.0272  0.0549  91  LEU D CG  
1343 C CD1 . LEU D 7  ? 0.3238 0.3183 0.3026 0.0799  0.0291  0.0584  91  LEU D CD1 
1344 C CD2 . LEU D 7  ? 0.3582 0.3126 0.3015 0.0802  0.0150  0.0549  91  LEU D CD2 
1345 N N   . LEU D 8  ? 0.3143 0.3301 0.2694 0.0944  0.0443  0.0494  92  LEU D N   
1346 C CA  . LEU D 8  ? 0.3247 0.3601 0.2813 0.0998  0.0524  0.0443  92  LEU D CA  
1347 C C   . LEU D 8  ? 0.3460 0.3981 0.2990 0.0902  0.0592  0.0564  92  LEU D C   
1348 O O   . LEU D 8  ? 0.3781 0.4527 0.3391 0.0859  0.0684  0.0569  92  LEU D O   
1349 C CB  . LEU D 8  ? 0.3466 0.3773 0.2866 0.1050  0.0525  0.0312  92  LEU D CB  
1350 C CG  . LEU D 8  ? 0.3711 0.4282 0.3127 0.1122  0.0631  0.0173  92  LEU D CG  
1351 C CD1 . LEU D 8  ? 0.3905 0.4575 0.3595 0.1264  0.0613  0.0054  92  LEU D CD1 
1352 C CD2 . LEU D 8  ? 0.4067 0.4524 0.3267 0.1160  0.0610  0.0026  92  LEU D CD2 
1353 N N   . SER D 9  ? 0.3453 0.3855 0.2861 0.0856  0.0525  0.0659  93  SER D N   
1354 C CA  . SER D 9  ? 0.3609 0.4012 0.2888 0.0761  0.0520  0.0811  93  SER D CA  
1355 C C   . SER D 9  ? 0.3546 0.3920 0.2965 0.0680  0.0532  0.0906  93  SER D C   
1356 O O   . SER D 9  ? 0.4017 0.4450 0.3321 0.0530  0.0589  0.1017  93  SER D O   
1357 C CB  . SER D 9  ? 0.3952 0.4193 0.3110 0.0788  0.0370  0.0874  93  SER D CB  
1358 O OG  . SER D 9  ? 0.4040 0.4156 0.3398 0.0846  0.0272  0.0866  93  SER D OG  
1359 N N   . VAL D 10 ? 0.3394 0.3681 0.3020 0.0733  0.0482  0.0861  94  VAL D N   
1360 C CA  . VAL D 10 ? 0.3621 0.3878 0.3389 0.0652  0.0476  0.0916  94  VAL D CA  
1361 C C   . VAL D 10 ? 0.3673 0.4243 0.3592 0.0603  0.0590  0.0860  94  VAL D C   
1362 O O   . VAL D 10 ? 0.3784 0.4481 0.3731 0.0438  0.0649  0.0933  94  VAL D O   
1363 C CB  . VAL D 10 ? 0.3778 0.3894 0.3680 0.0717  0.0393  0.0843  94  VAL D CB  
1364 C CG1 . VAL D 10 ? 0.3820 0.3920 0.3864 0.0632  0.0376  0.0862  94  VAL D CG1 
1365 C CG2 . VAL D 10 ? 0.3935 0.3874 0.3799 0.0781  0.0291  0.0828  94  VAL D CG2 
1366 N N   . LEU D 11 ? 0.3317 0.4016 0.3341 0.0738  0.0602  0.0714  95  LEU D N   
1367 C CA  . LEU D 11 ? 0.3562 0.4598 0.3828 0.0776  0.0656  0.0596  95  LEU D CA  
1368 C C   . LEU D 11 ? 0.3647 0.5072 0.3906 0.0674  0.0826  0.0557  95  LEU D C   
1369 O O   . LEU D 11 ? 0.4016 0.5842 0.4525 0.0601  0.0907  0.0484  95  LEU D O   
1370 C CB  . LEU D 11 ? 0.3548 0.4501 0.3865 0.0983  0.0565  0.0449  95  LEU D CB  
1371 C CG  . LEU D 11 ? 0.3675 0.4287 0.3939 0.1011  0.0409  0.0490  95  LEU D CG  
1372 C CD1 . LEU D 11 ? 0.3754 0.4161 0.3956 0.1165  0.0283  0.0392  95  LEU D CD1 
1373 C CD2 . LEU D 11 ? 0.3676 0.4371 0.4123 0.0945  0.0353  0.0525  95  LEU D CD2 
1374 N N   . LYS D 12 ? 0.3558 0.4927 0.3532 0.0649  0.0884  0.0582  96  LYS D N   
1375 C CA  . LYS D 12 ? 0.4183 0.5959 0.4071 0.0524  0.1069  0.0518  96  LYS D CA  
1376 C C   . LYS D 12 ? 0.4324 0.6089 0.3991 0.0202  0.1132  0.0744  96  LYS D C   
1377 O O   . LYS D 12 ? 0.4667 0.6788 0.4186 0.0001  0.1310  0.0724  96  LYS D O   
1378 C CB  . LYS D 12 ? 0.4611 0.6311 0.4184 0.0579  0.1093  0.0465  96  LYS D CB  
1379 C CG  . LYS D 12 ? 0.5181 0.6901 0.4872 0.0837  0.1061  0.0210  96  LYS D CG  
1380 C CD  . LYS D 12 ? 0.6519 0.8186 0.5862 0.0834  0.1093  0.0147  96  LYS D CD  
1381 C CE  . LYS D 12 ? 0.7226 0.8537 0.6244 0.0716  0.0978  0.0393  96  LYS D CE  
1382 N NZ  . LYS D 12 ? 0.7702 0.8891 0.6444 0.0758  0.0924  0.0317  96  LYS D NZ  
1383 N N   . ASP D 13 ? 0.4443 0.5762 0.4032 0.0139  0.0979  0.0948  97  ASP D N   
1384 C CA  . ASP D 13 ? 0.4916 0.6028 0.4231 -0.0160 0.0965  0.1188  97  ASP D CA  
1385 C C   . ASP D 13 ? 0.4815 0.5976 0.4411 -0.0288 0.0953  0.1205  97  ASP D C   
1386 O O   . ASP D 13 ? 0.4630 0.5450 0.4351 -0.0166 0.0791  0.1223  97  ASP D O   
1387 C CB  . ASP D 13 ? 0.5240 0.5759 0.4241 -0.0101 0.0749  0.1370  97  ASP D CB  
1388 C CG  . ASP D 13 ? 0.6005 0.6078 0.4672 -0.0362 0.0627  0.1645  97  ASP D CG  
1389 O OD1 . ASP D 13 ? 0.6059 0.6237 0.4732 -0.0651 0.0720  0.1718  97  ASP D OD1 
1390 O OD2 . ASP D 13 ? 0.6513 0.6117 0.4926 -0.0273 0.0410  0.1773  97  ASP D OD2 
1391 N N   . PRO D 14 ? 0.5042 0.6677 0.4747 -0.0560 0.1131  0.1172  98  PRO D N   
1392 C CA  . PRO D 14 ? 0.4961 0.6736 0.4986 -0.0700 0.1116  0.1151  98  PRO D CA  
1393 C C   . PRO D 14 ? 0.5055 0.6151 0.4906 -0.0808 0.0909  0.1359  98  PRO D C   
1394 O O   . PRO D 14 ? 0.5026 0.6089 0.5160 -0.0762 0.0818  0.1288  98  PRO D O   
1395 C CB  . PRO D 14 ? 0.5277 0.7677 0.5332 -0.1081 0.1362  0.1118  98  PRO D CB  
1396 C CG  . PRO D 14 ? 0.5326 0.8135 0.5276 -0.0979 0.1540  0.0968  98  PRO D CG  
1397 C CD  . PRO D 14 ? 0.5381 0.7528 0.4926 -0.0770 0.1372  0.1114  98  PRO D CD  
1398 N N   . ILE D 15 ? 0.5518 0.6057 0.4888 -0.0943 0.0809  0.1599  99  ILE D N   
1399 C CA  . ILE D 15 ? 0.5851 0.5663 0.5044 -0.1001 0.0568  0.1768  99  ILE D CA  
1400 C C   . ILE D 15 ? 0.5354 0.4890 0.4744 -0.0590 0.0393  0.1635  99  ILE D C   
1401 O O   . ILE D 15 ? 0.5141 0.4431 0.4692 -0.0550 0.0271  0.1580  99  ILE D O   
1402 C CB  . ILE D 15 ? 0.6764 0.6008 0.5361 -0.1235 0.0450  0.2065  99  ILE D CB  
1403 C CG1 . ILE D 15 ? 0.7542 0.7076 0.5864 -0.1751 0.0653  0.2208  99  ILE D CG1 
1404 C CG2 . ILE D 15 ? 0.7297 0.5687 0.5739 -0.1203 0.0130  0.2198  99  ILE D CG2 
1405 C CD1 . ILE D 15 ? 0.7877 0.7434 0.6351 -0.2108 0.0680  0.2236  99  ILE D CD1 
1406 N N   . ALA D 16 ? 0.5176 0.4772 0.4526 -0.0324 0.0390  0.1569  100 ALA D N   
1407 C CA  . ALA D 16 ? 0.4829 0.4275 0.4348 0.0000  0.0269  0.1427  100 ALA D CA  
1408 C C   . ALA D 16 ? 0.4459 0.4214 0.4328 0.0091  0.0334  0.1237  100 ALA D C   
1409 O O   . ALA D 16 ? 0.4262 0.3828 0.4243 0.0211  0.0230  0.1142  100 ALA D O   
1410 C CB  . ALA D 16 ? 0.4753 0.4305 0.4164 0.0183  0.0283  0.1388  100 ALA D CB  
1411 N N   . LYS D 17 ? 0.4393 0.4631 0.4422 0.0045  0.0489  0.1163  101 LYS D N   
1412 C CA  . LYS D 17 ? 0.3954 0.4455 0.4285 0.0147  0.0491  0.1002  101 LYS D CA  
1413 C C   . LYS D 17 ? 0.4033 0.4423 0.4485 -0.0003 0.0409  0.1010  101 LYS D C   
1414 O O   . LYS D 17 ? 0.3828 0.4108 0.4365 0.0100  0.0310  0.0915  101 LYS D O   
1415 C CB  . LYS D 17 ? 0.3924 0.4962 0.4454 0.0185  0.0620  0.0883  101 LYS D CB  
1416 C CG  . LYS D 17 ? 0.4038 0.5241 0.4844 0.0349  0.0531  0.0730  101 LYS D CG  
1417 C CD  . LYS D 17 ? 0.4339 0.6042 0.5407 0.0471  0.0594  0.0562  101 LYS D CD  
1418 C CE  . LYS D 17 ? 0.4433 0.6133 0.5686 0.0678  0.0415  0.0444  101 LYS D CE  
1419 N NZ  . LYS D 17 ? 0.4545 0.6748 0.6140 0.0838  0.0427  0.0240  101 LYS D NZ  
1420 N N   . MET D 18 ? 0.4282 0.4691 0.4697 -0.0292 0.0450  0.1120  102 MET D N   
1421 C CA  . MET D 18 ? 0.4602 0.4886 0.5125 -0.0475 0.0361  0.1115  102 MET D CA  
1422 C C   . MET D 18 ? 0.4601 0.4260 0.4964 -0.0375 0.0179  0.1119  102 MET D C   
1423 O O   . MET D 18 ? 0.4813 0.4392 0.5295 -0.0368 0.0086  0.1006  102 MET D O   
1424 C CB  . MET D 18 ? 0.5410 0.5785 0.5870 -0.0884 0.0439  0.1248  102 MET D CB  
1425 C CG  . MET D 18 ? 0.6151 0.6411 0.6740 -0.1119 0.0338  0.1225  102 MET D CG  
1426 S SD  . MET D 18 ? 0.7102 0.7928 0.8176 -0.0984 0.0298  0.0972  102 MET D SD  
1427 C CE  . MET D 18 ? 0.6844 0.8637 0.8289 -0.1038 0.0512  0.0864  102 MET D CE  
1428 N N   . ARG D 19 ? 0.4732 0.3983 0.4844 -0.0278 0.0112  0.1212  103 ARG D N   
1429 C CA  . ARG D 19 ? 0.4948 0.3669 0.4982 -0.0134 -0.0074 0.1153  103 ARG D CA  
1430 C C   . ARG D 19 ? 0.4565 0.3478 0.4770 0.0113  -0.0065 0.0922  103 ARG D C   
1431 O O   . ARG D 19 ? 0.4878 0.3592 0.5133 0.0158  -0.0161 0.0773  103 ARG D O   
1432 C CB  . ARG D 19 ? 0.5550 0.3859 0.5326 -0.0050 -0.0189 0.1287  103 ARG D CB  
1433 C CG  . ARG D 19 ? 0.6365 0.4240 0.5831 -0.0359 -0.0277 0.1544  103 ARG D CG  
1434 C CD  . ARG D 19 ? 0.6998 0.4435 0.6129 -0.0274 -0.0441 0.1716  103 ARG D CD  
1435 N NE  . ARG D 19 ? 0.8125 0.5122 0.6835 -0.0657 -0.0517 0.2016  103 ARG D NE  
1436 C CZ  . ARG D 19 ? 0.8665 0.5164 0.6932 -0.0708 -0.0699 0.2253  103 ARG D CZ  
1437 N NH1 . ARG D 19 ? 0.8778 0.5251 0.7032 -0.0370 -0.0819 0.2206  103 ARG D NH1 
1438 N NH2 . ARG D 19 ? 0.9815 0.5851 0.7617 -0.1135 -0.0773 0.2548  103 ARG D NH2 
1439 N N   . ARG D 20 ? 0.4307 0.3590 0.4556 0.0236  0.0049  0.0889  104 ARG D N   
1440 C CA  . ARG D 20 ? 0.3859 0.3301 0.4167 0.0391  0.0066  0.0717  104 ARG D CA  
1441 C C   . ARG D 20 ? 0.3928 0.3504 0.4331 0.0301  0.0042  0.0637  104 ARG D C   
1442 O O   . ARG D 20 ? 0.4192 0.3681 0.4557 0.0336  -0.0008 0.0492  104 ARG D O   
1443 C CB  . ARG D 20 ? 0.3400 0.3083 0.3668 0.0500  0.0159  0.0727  104 ARG D CB  
1444 C CG  . ARG D 20 ? 0.3207 0.2954 0.3435 0.0583  0.0163  0.0582  104 ARG D CG  
1445 C CD  . ARG D 20 ? 0.2989 0.2834 0.3131 0.0668  0.0222  0.0578  104 ARG D CD  
1446 N NE  . ARG D 20 ? 0.3121 0.3005 0.3170 0.0666  0.0238  0.0445  104 ARG D NE  
1447 C CZ  . ARG D 20 ? 0.2897 0.2800 0.2796 0.0609  0.0240  0.0443  104 ARG D CZ  
1448 N NH1 . ARG D 20 ? 0.2901 0.2796 0.2795 0.0623  0.0195  0.0529  104 ARG D NH1 
1449 N NH2 . ARG D 20 ? 0.2828 0.2757 0.2565 0.0532  0.0274  0.0343  104 ARG D NH2 
1450 N N   . LEU D 21 ? 0.4050 0.3885 0.4582 0.0181  0.0072  0.0703  105 LEU D N   
1451 C CA  . LEU D 21 ? 0.4097 0.4103 0.4761 0.0101  0.0001  0.0626  105 LEU D CA  
1452 C C   . LEU D 21 ? 0.4298 0.3994 0.4920 -0.0020 -0.0098 0.0560  105 LEU D C   
1453 O O   . LEU D 21 ? 0.4128 0.3804 0.4720 -0.0025 -0.0182 0.0432  105 LEU D O   
1454 C CB  . LEU D 21 ? 0.4280 0.4701 0.5186 -0.0015 0.0051  0.0672  105 LEU D CB  
1455 C CG  . LEU D 21 ? 0.4167 0.4937 0.5173 0.0146  0.0121  0.0657  105 LEU D CG  
1456 C CD1 . LEU D 21 ? 0.4203 0.5499 0.5521 0.0034  0.0195  0.0628  105 LEU D CD1 
1457 C CD2 . LEU D 21 ? 0.4042 0.4776 0.4995 0.0326  -0.0005 0.0574  105 LEU D CD2 
1458 N N   . VAL D 22 ? 0.4625 0.4036 0.5208 -0.0149 -0.0112 0.0650  106 VAL D N   
1459 C CA  . VAL D 22 ? 0.4907 0.3938 0.5448 -0.0271 -0.0241 0.0574  106 VAL D CA  
1460 C C   . VAL D 22 ? 0.4696 0.3472 0.5132 -0.0063 -0.0302 0.0373  106 VAL D C   
1461 O O   . VAL D 22 ? 0.4870 0.3537 0.5289 -0.0104 -0.0385 0.0199  106 VAL D O   
1462 C CB  . VAL D 22 ? 0.5502 0.4145 0.5940 -0.0479 -0.0287 0.0746  106 VAL D CB  
1463 C CG1 . VAL D 22 ? 0.6253 0.4264 0.6576 -0.0515 -0.0475 0.0652  106 VAL D CG1 
1464 C CG2 . VAL D 22 ? 0.5663 0.4683 0.6236 -0.0796 -0.0204 0.0864  106 VAL D CG2 
1465 N N   . ARG D 23 ? 0.4614 0.3370 0.4994 0.0145  -0.0251 0.0363  107 ARG D N   
1466 C CA  . ARG D 23 ? 0.4760 0.3444 0.5108 0.0334  -0.0269 0.0123  107 ARG D CA  
1467 C C   . ARG D 23 ? 0.4503 0.3508 0.4784 0.0309  -0.0204 -0.0021 107 ARG D C   
1468 O O   . ARG D 23 ? 0.4618 0.3573 0.4838 0.0318  -0.0233 -0.0259 107 ARG D O   
1469 C CB  . ARG D 23 ? 0.4998 0.3746 0.5354 0.0526  -0.0219 0.0146  107 ARG D CB  
1470 C CG  . ARG D 23 ? 0.5536 0.4294 0.5953 0.0724  -0.0238 -0.0148 107 ARG D CG  
1471 C CD  . ARG D 23 ? 0.6105 0.4898 0.6601 0.0921  -0.0256 -0.0140 107 ARG D CD  
1472 N NE  . ARG D 23 ? 0.6575 0.5596 0.7218 0.1100  -0.0233 -0.0491 107 ARG D NE  
1473 C CZ  . ARG D 23 ? 0.6744 0.5984 0.7545 0.1289  -0.0237 -0.0610 107 ARG D CZ  
1474 N NH1 . ARG D 23 ? 0.7027 0.6156 0.7818 0.1355  -0.0318 -0.0390 107 ARG D NH1 
1475 N NH2 . ARG D 23 ? 0.6633 0.6262 0.7602 0.1389  -0.0157 -0.0975 107 ARG D NH2 
1476 N N   . ILE D 24 ? 0.4061 0.3362 0.4311 0.0277  -0.0135 0.0113  108 ILE D N   
1477 C CA  . ILE D 24 ? 0.4045 0.3532 0.4128 0.0235  -0.0129 0.0034  108 ILE D CA  
1478 C C   . ILE D 24 ? 0.4257 0.3708 0.4313 0.0094  -0.0247 -0.0043 108 ILE D C   
1479 O O   . ILE D 24 ? 0.4372 0.3831 0.4216 0.0041  -0.0270 -0.0207 108 ILE D O   
1480 C CB  . ILE D 24 ? 0.3901 0.3579 0.3947 0.0261  -0.0104 0.0200  108 ILE D CB  
1481 C CG1 . ILE D 24 ? 0.3642 0.3350 0.3645 0.0370  0.0009  0.0227  108 ILE D CG1 
1482 C CG2 . ILE D 24 ? 0.3885 0.3616 0.3699 0.0186  -0.0194 0.0178  108 ILE D CG2 
1483 C CD1 . ILE D 24 ? 0.3653 0.3464 0.3654 0.0420  0.0023  0.0378  108 ILE D CD1 
1484 N N   . GLU D 25 ? 0.4420 0.3880 0.4672 -0.0003 -0.0317 0.0066  109 GLU D N   
1485 C CA  . GLU D 25 ? 0.4818 0.4281 0.5094 -0.0164 -0.0450 -0.0012 109 GLU D CA  
1486 C C   . GLU D 25 ? 0.5236 0.4383 0.5391 -0.0194 -0.0492 -0.0243 109 GLU D C   
1487 O O   . GLU D 25 ? 0.5151 0.4315 0.5140 -0.0274 -0.0569 -0.0409 109 GLU D O   
1488 C CB  . GLU D 25 ? 0.5264 0.4839 0.5818 -0.0312 -0.0480 0.0120  109 GLU D CB  
1489 C CG  . GLU D 25 ? 0.5888 0.5496 0.6517 -0.0520 -0.0629 0.0023  109 GLU D CG  
1490 C CD  . GLU D 25 ? 0.6335 0.6180 0.7269 -0.0732 -0.0630 0.0137  109 GLU D CD  
1491 O OE1 . GLU D 25 ? 0.6899 0.6484 0.7835 -0.0846 -0.0563 0.0235  109 GLU D OE1 
1492 O OE2 . GLU D 25 ? 0.6315 0.6622 0.7475 -0.0792 -0.0708 0.0122  109 GLU D OE2 
1493 N N   . GLN D 26 ? 0.5521 0.4356 0.5739 -0.0115 -0.0469 -0.0272 110 GLN D N   
1494 C CA  . GLN D 26 ? 0.6138 0.4633 0.6293 -0.0072 -0.0538 -0.0543 110 GLN D CA  
1495 C C   . GLN D 26 ? 0.5807 0.4518 0.5780 0.0023  -0.0451 -0.0809 110 GLN D C   
1496 O O   . GLN D 26 ? 0.5883 0.4528 0.5729 -0.0035 -0.0502 -0.1074 110 GLN D O   
1497 C CB  . GLN D 26 ? 0.6822 0.4902 0.7071 0.0070  -0.0584 -0.0532 110 GLN D CB  
1498 C CG  . GLN D 26 ? 0.7820 0.5524 0.8116 -0.0117 -0.0700 -0.0303 110 GLN D CG  
1499 C CD  . GLN D 26 ? 0.9450 0.6866 0.9715 -0.0341 -0.0847 -0.0421 110 GLN D CD  
1500 O OE1 . GLN D 26 ? 1.0302 0.7439 1.0504 -0.0258 -0.0942 -0.0726 110 GLN D OE1 
1501 N NE2 . GLN D 26 ? 1.0065 0.7596 1.0393 -0.0640 -0.0863 -0.0217 110 GLN D NE2 
1502 N N   . ARG D 27 ? 0.5563 0.4539 0.5498 0.0134  -0.0311 -0.0754 111 ARG D N   
1503 C CA  . ARG D 27 ? 0.5644 0.4881 0.5379 0.0155  -0.0189 -0.0995 111 ARG D CA  
1504 C C   . ARG D 27 ? 0.5453 0.4834 0.4857 -0.0055 -0.0223 -0.0988 111 ARG D C   
1505 O O   . ARG D 27 ? 0.5776 0.5252 0.4934 -0.0137 -0.0182 -0.1259 111 ARG D O   
1506 C CB  . ARG D 27 ? 0.5768 0.5239 0.5540 0.0264  -0.0044 -0.0918 111 ARG D CB  
1507 C CG  . ARG D 27 ? 0.6635 0.6026 0.6690 0.0500  -0.0039 -0.1075 111 ARG D CG  
1508 C CD  . ARG D 27 ? 0.6892 0.6612 0.7013 0.0595  0.0099  -0.1089 111 ARG D CD  
1509 N NE  . ARG D 27 ? 0.7410 0.7089 0.7551 0.0596  0.0095  -0.0737 111 ARG D NE  
1510 C CZ  . ARG D 27 ? 0.7535 0.7439 0.7718 0.0652  0.0185  -0.0688 111 ARG D CZ  
1511 N NH1 . ARG D 27 ? 0.7212 0.7479 0.7420 0.0663  0.0311  -0.0951 111 ARG D NH1 
1512 N NH2 . ARG D 27 ? 0.6703 0.6520 0.6904 0.0669  0.0161  -0.0402 111 ARG D NH2 
1513 N N   . GLN D 28 ? 0.5063 0.4463 0.4460 -0.0139 -0.0325 -0.0706 112 GLN D N   
1514 C CA  . GLN D 28 ? 0.5136 0.4625 0.4213 -0.0303 -0.0436 -0.0667 112 GLN D CA  
1515 C C   . GLN D 28 ? 0.5733 0.5124 0.4759 -0.0433 -0.0581 -0.0843 112 GLN D C   
1516 O O   . GLN D 28 ? 0.6030 0.5480 0.4684 -0.0580 -0.0668 -0.0913 112 GLN D O   
1517 C CB  . GLN D 28 ? 0.4845 0.4415 0.4017 -0.0275 -0.0534 -0.0359 112 GLN D CB  
1518 C CG  . GLN D 28 ? 0.4695 0.4312 0.3731 -0.0202 -0.0419 -0.0230 112 GLN D CG  
1519 C CD  . GLN D 28 ? 0.4684 0.4334 0.3799 -0.0131 -0.0541 0.0019  112 GLN D CD  
1520 O OE1 . GLN D 28 ? 0.4453 0.4199 0.3830 -0.0108 -0.0688 0.0084  112 GLN D OE1 
1521 N NE2 . GLN D 28 ? 0.4506 0.4099 0.3397 -0.0106 -0.0490 0.0122  112 GLN D NE2 
1522 N N   . LYS D 29 ? 0.5924 0.5124 0.5269 -0.0414 -0.0634 -0.0894 113 LYS D N   
1523 C CA  . LYS D 29 ? 0.6746 0.5779 0.6039 -0.0546 -0.0765 -0.1119 113 LYS D CA  
1524 C C   . LYS D 29 ? 0.7189 0.6128 0.6299 -0.0477 -0.0658 -0.1504 113 LYS D C   
1525 O O   . LYS D 29 ? 0.8359 0.7281 0.7215 -0.0611 -0.0733 -0.1752 113 LYS D O   
1526 C CB  . LYS D 29 ? 0.7047 0.5818 0.6678 -0.0607 -0.0869 -0.1054 113 LYS D CB  
1527 C CG  . LYS D 29 ? 0.7010 0.5985 0.6920 -0.0681 -0.0913 -0.0735 113 LYS D CG  
1528 C CD  . LYS D 29 ? 0.7337 0.6696 0.7195 -0.0755 -0.1034 -0.0639 113 LYS D CD  
1529 C CE  . LYS D 29 ? 0.7358 0.7016 0.7610 -0.0825 -0.1092 -0.0436 113 LYS D CE  
1530 N NZ  . LYS D 29 ? 0.7675 0.7645 0.7970 -0.0935 -0.1315 -0.0466 113 LYS D NZ  
# 
