data_6Z4U
# 
_entry.id   6Z4U 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.383 
_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   6Z4U         pdb_00006z4u 10.2210/pdb6z4u/pdb 
WWPDB D_1292108885 ?            ?                   
# 
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 2020-06-17 
2 'Structure model' 1 1 2024-01-24 
# 
_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             ? 
# 
loop_
_pdbx_audit_revision_group.ordinal 
_pdbx_audit_revision_group.revision_ordinal 
_pdbx_audit_revision_group.data_content_type 
_pdbx_audit_revision_group.group 
1 2 'Structure model' 'Data collection'        
2 2 'Structure model' 'Database references'    
3 2 'Structure model' 'Derived calculations'   
4 2 'Structure model' 'Refinement description' 
# 
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' atom_type                     
2 2 'Structure model' chem_comp_atom                
3 2 'Structure model' chem_comp_bond                
4 2 'Structure model' database_2                    
5 2 'Structure model' pdbx_initial_refinement_model 
# 
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' '_atom_type.pdbx_N_electrons'         
2 2 'Structure model' '_atom_type.pdbx_scat_Z'              
3 2 'Structure model' '_database_2.pdbx_DOI'                
4 2 'Structure model' '_database_2.pdbx_database_accession' 
# 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.entry_id                        6Z4U 
_pdbx_database_status.recvd_initial_deposition_date   2020-05-25 
_pdbx_database_status.SG_entry                        N 
_pdbx_database_status.deposit_site                    PDBE 
_pdbx_database_status.process_site                    PDBE 
_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 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Weeks, S.D.'  1 0000-0002-1360-0852 
'De Graef, S.' 2 0000-0003-2558-3890 
'Munawar, A.'  3 0000-0001-9617-9460 
# 
_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                   ? 
_citation.database_id_Medline       ? 
_citation.details                   ? 
_citation.id                        primary 
_citation.journal_abbrev            'To Be Published' 
_citation.journal_id_ASTM           ? 
_citation.journal_id_CSD            0353 
_citation.journal_id_ISSN           ? 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            ? 
_citation.language                  ? 
_citation.page_first                ? 
_citation.page_last                 ? 
_citation.title                     'X-ray Crystallographic Structure of Orf9b from SARS-CoV-2' 
_citation.year                      ? 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      ? 
_citation.pdbx_database_id_PubMed   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Weeks, S.D.'  1 0000-0002-1360-0852 
primary 'De Graef, S.' 2 0000-0003-2558-3890 
primary 'Munawar, A.'  3 0000-0001-9617-9460 
# 
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 'Protein 9b'                 10808.636 2  ? ? ? ? 
2 non-polymer syn 'POLYETHYLENE GLYCOL (N=34)' 1529.829  1  ? ? ? ? 
3 water       nat water                        18.015    49 ? ? ? ? 
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        'Accessory protein 9b,ORF-9b' 
# 
_entity_poly.entity_id                      1 
_entity_poly.type                           'polypeptide(L)' 
_entity_poly.nstd_linkage                   no 
_entity_poly.nstd_monomer                   no 
_entity_poly.pdbx_seq_one_letter_code       
;MDPKISEMHPALRLVDPQIQLAVTRMENAVGRDQNNVGPKVYPIILRLGSPLSLNMARKTLNSLEDKAFQLTPIAVQMTK
LATTEELPDEFVVVTVK
;
_entity_poly.pdbx_seq_one_letter_code_can   
;MDPKISEMHPALRLVDPQIQLAVTRMENAVGRDQNNVGPKVYPIILRLGSPLSLNMARKTLNSLEDKAFQLTPIAVQMTK
LATTEELPDEFVVVTVK
;
_entity_poly.pdbx_strand_id                 A,B 
_entity_poly.pdbx_target_identifier         ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
2 'POLYETHYLENE GLYCOL (N=34)' 15P 
3 water                        HOH 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1  MET n 
1 2  ASP n 
1 3  PRO n 
1 4  LYS n 
1 5  ILE n 
1 6  SER n 
1 7  GLU n 
1 8  MET n 
1 9  HIS n 
1 10 PRO n 
1 11 ALA n 
1 12 LEU n 
1 13 ARG n 
1 14 LEU n 
1 15 VAL n 
1 16 ASP n 
1 17 PRO n 
1 18 GLN n 
1 19 ILE n 
1 20 GLN n 
1 21 LEU n 
1 22 ALA n 
1 23 VAL n 
1 24 THR n 
1 25 ARG n 
1 26 MET n 
1 27 GLU n 
1 28 ASN n 
1 29 ALA n 
1 30 VAL n 
1 31 GLY n 
1 32 ARG n 
1 33 ASP n 
1 34 GLN n 
1 35 ASN n 
1 36 ASN n 
1 37 VAL n 
1 38 GLY n 
1 39 PRO n 
1 40 LYS n 
1 41 VAL n 
1 42 TYR n 
1 43 PRO n 
1 44 ILE n 
1 45 ILE n 
1 46 LEU n 
1 47 ARG n 
1 48 LEU n 
1 49 GLY n 
1 50 SER n 
1 51 PRO n 
1 52 LEU n 
1 53 SER n 
1 54 LEU n 
1 55 ASN n 
1 56 MET n 
1 57 ALA n 
1 58 ARG n 
1 59 LYS n 
1 60 THR n 
1 61 LEU n 
1 62 ASN n 
1 63 SER n 
1 64 LEU n 
1 65 GLU n 
1 66 ASP n 
1 67 LYS n 
1 68 ALA n 
1 69 PHE n 
1 70 GLN n 
1 71 LEU n 
1 72 THR n 
1 73 PRO n 
1 74 ILE n 
1 75 ALA n 
1 76 VAL n 
1 77 GLN n 
1 78 MET n 
1 79 THR n 
1 80 LYS n 
1 81 LEU n 
1 82 ALA n 
1 83 THR n 
1 84 THR n 
1 85 GLU n 
1 86 GLU n 
1 87 LEU n 
1 88 PRO n 
1 89 ASP n 
1 90 GLU n 
1 91 PHE n 
1 92 VAL n 
1 93 VAL n 
1 94 VAL n 
1 95 THR n 
1 96 VAL n 
1 97 LYS 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                   97 
_entity_src_gen.gene_src_common_name               2019-nCoV 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 ? 
_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      'Severe acute respiratory syndrome coronavirus 2' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     2697049 
_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              'T7 Express' 
_entity_src_gen.pdbx_host_org_cell_line            ? 
_entity_src_gen.pdbx_host_org_atcc                 ? 
_entity_src_gen.pdbx_host_org_culture_collection   ? 
_entity_src_gen.pdbx_host_org_cell                 ? 
_entity_src_gen.pdbx_host_org_organelle            ? 
_entity_src_gen.pdbx_host_org_cellular_location    ? 
_entity_src_gen.pdbx_host_org_vector_type          ? 
_entity_src_gen.pdbx_host_org_vector               ? 
_entity_src_gen.host_org_details                   ? 
_entity_src_gen.expression_system_id               ? 
_entity_src_gen.plasmid_name                       ? 
_entity_src_gen.plasmid_details                    ? 
_entity_src_gen.pdbx_description                   ? 
# 
loop_
_chem_comp.id 
_chem_comp.type 
_chem_comp.mon_nstd_flag 
_chem_comp.name 
_chem_comp.pdbx_synonyms 
_chem_comp.formula 
_chem_comp.formula_weight 
15P non-polymer         . 'POLYETHYLENE GLYCOL (N=34)' 'PEG 1500' 'C69 H140 O35'   1529.829 
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  
GLN 'L-peptide linking' y GLUTAMINE                    ?          'C5 H10 N2 O3'   146.144  
GLU 'L-peptide linking' y 'GLUTAMIC ACID'              ?          'C5 H9 N O4'     147.129  
GLY 'peptide linking'   y GLYCINE                      ?          'C2 H5 N O2'     75.067   
HIS 'L-peptide linking' y HISTIDINE                    ?          'C6 H10 N3 O2 1' 156.162  
HOH non-polymer         . WATER                        ?          'H2 O'           18.015   
ILE 'L-peptide linking' y ISOLEUCINE                   ?          'C6 H13 N O2'    131.173  
LEU 'L-peptide linking' y LEUCINE                      ?          'C6 H13 N O2'    131.173  
LYS 'L-peptide linking' y LYSINE                       ?          'C6 H15 N2 O2 1' 147.195  
MET 'L-peptide linking' y METHIONINE                   ?          'C5 H11 N O2 S'  149.211  
PHE 'L-peptide linking' y PHENYLALANINE                ?          'C9 H11 N O2'    165.189  
PRO 'L-peptide linking' y PROLINE                      ?          'C5 H9 N O2'     115.130  
SER 'L-peptide linking' y SERINE                       ?          'C3 H7 N O3'     105.093  
THR 'L-peptide linking' y THREONINE                    ?          'C4 H9 N O3'     119.119  
TYR 'L-peptide linking' y TYROSINE                     ?          'C9 H11 N O3'    181.189  
VAL 'L-peptide linking' y VALINE                       ?          'C5 H11 N O2'    117.146  
# 
loop_
_pdbx_poly_seq_scheme.asym_id 
_pdbx_poly_seq_scheme.entity_id 
_pdbx_poly_seq_scheme.seq_id 
_pdbx_poly_seq_scheme.mon_id 
_pdbx_poly_seq_scheme.ndb_seq_num 
_pdbx_poly_seq_scheme.pdb_seq_num 
_pdbx_poly_seq_scheme.auth_seq_num 
_pdbx_poly_seq_scheme.pdb_mon_id 
_pdbx_poly_seq_scheme.auth_mon_id 
_pdbx_poly_seq_scheme.pdb_strand_id 
_pdbx_poly_seq_scheme.pdb_ins_code 
_pdbx_poly_seq_scheme.hetero 
A 1 1  MET 1  1  1  MET MET A . n 
A 1 2  ASP 2  2  2  ASP ASP A . n 
A 1 3  PRO 3  3  3  PRO PRO A . n 
A 1 4  LYS 4  4  4  LYS LYS A . n 
A 1 5  ILE 5  5  5  ILE ILE A . n 
A 1 6  SER 6  6  6  SER SER A . n 
A 1 7  GLU 7  7  7  GLU GLU A . n 
A 1 8  MET 8  8  8  MET MET A . n 
A 1 9  HIS 9  9  9  HIS HIS A . n 
A 1 10 PRO 10 10 10 PRO PRO A . n 
A 1 11 ALA 11 11 11 ALA ALA A . n 
A 1 12 LEU 12 12 12 LEU LEU A . n 
A 1 13 ARG 13 13 13 ARG ARG A . n 
A 1 14 LEU 14 14 14 LEU LEU A . n 
A 1 15 VAL 15 15 15 VAL VAL A . n 
A 1 16 ASP 16 16 16 ASP ASP A . n 
A 1 17 PRO 17 17 17 PRO PRO A . n 
A 1 18 GLN 18 18 18 GLN GLN A . n 
A 1 19 ILE 19 19 19 ILE ILE A . n 
A 1 20 GLN 20 20 20 GLN GLN A . n 
A 1 21 LEU 21 21 21 LEU LEU A . n 
A 1 22 ALA 22 22 22 ALA ALA A . n 
A 1 23 VAL 23 23 23 VAL VAL A . n 
A 1 24 THR 24 24 24 THR THR A . n 
A 1 25 ARG 25 25 25 ARG ARG A . n 
A 1 26 MET 26 26 ?  ?   ?   A . n 
A 1 27 GLU 27 27 ?  ?   ?   A . n 
A 1 28 ASN 28 28 ?  ?   ?   A . n 
A 1 29 ALA 29 29 ?  ?   ?   A . n 
A 1 30 VAL 30 30 ?  ?   ?   A . n 
A 1 31 GLY 31 31 ?  ?   ?   A . n 
A 1 32 ARG 32 32 ?  ?   ?   A . n 
A 1 33 ASP 33 33 ?  ?   ?   A . n 
A 1 34 GLN 34 34 ?  ?   ?   A . n 
A 1 35 ASN 35 35 ?  ?   ?   A . n 
A 1 36 ASN 36 36 ?  ?   ?   A . n 
A 1 37 VAL 37 37 ?  ?   ?   A . n 
A 1 38 GLY 38 38 ?  ?   ?   A . n 
A 1 39 PRO 39 39 39 PRO PRO A . n 
A 1 40 LYS 40 40 40 LYS LYS A . n 
A 1 41 VAL 41 41 41 VAL VAL A . n 
A 1 42 TYR 42 42 42 TYR TYR A . n 
A 1 43 PRO 43 43 43 PRO PRO A . n 
A 1 44 ILE 44 44 44 ILE ILE A . n 
A 1 45 ILE 45 45 45 ILE ILE A . n 
A 1 46 LEU 46 46 46 LEU LEU A . n 
A 1 47 ARG 47 47 47 ARG ARG A . n 
A 1 48 LEU 48 48 48 LEU LEU A . n 
A 1 49 GLY 49 49 49 GLY GLY A . n 
A 1 50 SER 50 50 50 SER SER A . n 
A 1 51 PRO 51 51 51 PRO PRO A . n 
A 1 52 LEU 52 52 52 LEU LEU A . n 
A 1 53 SER 53 53 53 SER SER A . n 
A 1 54 LEU 54 54 54 LEU LEU A . n 
A 1 55 ASN 55 55 55 ASN ASN A . n 
A 1 56 MET 56 56 56 MET MET A . n 
A 1 57 ALA 57 57 57 ALA ALA A . n 
A 1 58 ARG 58 58 58 ARG ARG A . n 
A 1 59 LYS 59 59 59 LYS LYS A . n 
A 1 60 THR 60 60 60 THR THR A . n 
A 1 61 LEU 61 61 61 LEU LEU A . n 
A 1 62 ASN 62 62 62 ASN ASN A . n 
A 1 63 SER 63 63 63 SER SER A . n 
A 1 64 LEU 64 64 64 LEU LEU A . n 
A 1 65 GLU 65 65 65 GLU GLU A . n 
A 1 66 ASP 66 66 66 ASP ASP A . n 
A 1 67 LYS 67 67 67 LYS LYS A . n 
A 1 68 ALA 68 68 68 ALA ALA A . n 
A 1 69 PHE 69 69 69 PHE PHE A . n 
A 1 70 GLN 70 70 70 GLN GLN A . n 
A 1 71 LEU 71 71 71 LEU LEU A . n 
A 1 72 THR 72 72 72 THR THR A . n 
A 1 73 PRO 73 73 73 PRO PRO A . n 
A 1 74 ILE 74 74 74 ILE ILE A . n 
A 1 75 ALA 75 75 75 ALA ALA A . n 
A 1 76 VAL 76 76 76 VAL VAL A . n 
A 1 77 GLN 77 77 77 GLN GLN A . n 
A 1 78 MET 78 78 78 MET MET A . n 
A 1 79 THR 79 79 79 THR THR A . n 
A 1 80 LYS 80 80 80 LYS LYS A . n 
A 1 81 LEU 81 81 81 LEU LEU A . n 
A 1 82 ALA 82 82 82 ALA ALA A . n 
A 1 83 THR 83 83 83 THR THR A . n 
A 1 84 THR 84 84 84 THR THR A . n 
A 1 85 GLU 85 85 85 GLU GLU A . n 
A 1 86 GLU 86 86 86 GLU GLU A . n 
A 1 87 LEU 87 87 87 LEU LEU A . n 
A 1 88 PRO 88 88 88 PRO PRO A . n 
A 1 89 ASP 89 89 89 ASP ASP A . n 
A 1 90 GLU 90 90 90 GLU GLU A . n 
A 1 91 PHE 91 91 91 PHE PHE A . n 
A 1 92 VAL 92 92 92 VAL VAL A . n 
A 1 93 VAL 93 93 93 VAL VAL A . n 
A 1 94 VAL 94 94 94 VAL VAL A . n 
A 1 95 THR 95 95 95 THR THR A . n 
A 1 96 VAL 96 96 96 VAL VAL A . n 
A 1 97 LYS 97 97 97 LYS LYS A . n 
B 1 1  MET 1  1  ?  ?   ?   B . n 
B 1 2  ASP 2  2  2  ASP ASP B . n 
B 1 3  PRO 3  3  3  PRO PRO B . n 
B 1 4  LYS 4  4  4  LYS LYS B . n 
B 1 5  ILE 5  5  5  ILE ILE B . n 
B 1 6  SER 6  6  6  SER SER B . n 
B 1 7  GLU 7  7  7  GLU GLU B . n 
B 1 8  MET 8  8  8  MET MET B . n 
B 1 9  HIS 9  9  9  HIS HIS B . n 
B 1 10 PRO 10 10 10 PRO PRO B . n 
B 1 11 ALA 11 11 11 ALA ALA B . n 
B 1 12 LEU 12 12 12 LEU LEU B . n 
B 1 13 ARG 13 13 13 ARG ARG B . n 
B 1 14 LEU 14 14 14 LEU LEU B . n 
B 1 15 VAL 15 15 15 VAL VAL B . n 
B 1 16 ASP 16 16 16 ASP ASP B . n 
B 1 17 PRO 17 17 17 PRO PRO B . n 
B 1 18 GLN 18 18 18 GLN GLN B . n 
B 1 19 ILE 19 19 19 ILE ILE B . n 
B 1 20 GLN 20 20 20 GLN GLN B . n 
B 1 21 LEU 21 21 21 LEU LEU B . n 
B 1 22 ALA 22 22 22 ALA ALA B . n 
B 1 23 VAL 23 23 23 VAL VAL B . n 
B 1 24 THR 24 24 24 THR THR B . n 
B 1 25 ARG 25 25 ?  ?   ?   B . n 
B 1 26 MET 26 26 ?  ?   ?   B . n 
B 1 27 GLU 27 27 ?  ?   ?   B . n 
B 1 28 ASN 28 28 ?  ?   ?   B . n 
B 1 29 ALA 29 29 ?  ?   ?   B . n 
B 1 30 VAL 30 30 ?  ?   ?   B . n 
B 1 31 GLY 31 31 ?  ?   ?   B . n 
B 1 32 ARG 32 32 ?  ?   ?   B . n 
B 1 33 ASP 33 33 ?  ?   ?   B . n 
B 1 34 GLN 34 34 ?  ?   ?   B . n 
B 1 35 ASN 35 35 ?  ?   ?   B . n 
B 1 36 ASN 36 36 ?  ?   ?   B . n 
B 1 37 VAL 37 37 ?  ?   ?   B . n 
B 1 38 GLY 38 38 ?  ?   ?   B . n 
B 1 39 PRO 39 39 39 PRO PRO B . n 
B 1 40 LYS 40 40 40 LYS LYS B . n 
B 1 41 VAL 41 41 41 VAL VAL B . n 
B 1 42 TYR 42 42 42 TYR TYR B . n 
B 1 43 PRO 43 43 43 PRO PRO B . n 
B 1 44 ILE 44 44 44 ILE ILE B . n 
B 1 45 ILE 45 45 45 ILE ILE B . n 
B 1 46 LEU 46 46 46 LEU LEU B . n 
B 1 47 ARG 47 47 47 ARG ARG B . n 
B 1 48 LEU 48 48 48 LEU LEU B . n 
B 1 49 GLY 49 49 49 GLY GLY B . n 
B 1 50 SER 50 50 50 SER SER B . n 
B 1 51 PRO 51 51 51 PRO PRO B . n 
B 1 52 LEU 52 52 52 LEU LEU B . n 
B 1 53 SER 53 53 53 SER SER B . n 
B 1 54 LEU 54 54 54 LEU LEU B . n 
B 1 55 ASN 55 55 55 ASN ASN B . n 
B 1 56 MET 56 56 56 MET MET B . n 
B 1 57 ALA 57 57 57 ALA ALA B . n 
B 1 58 ARG 58 58 58 ARG ARG B . n 
B 1 59 LYS 59 59 59 LYS LYS B . n 
B 1 60 THR 60 60 60 THR THR B . n 
B 1 61 LEU 61 61 61 LEU LEU B . n 
B 1 62 ASN 62 62 62 ASN ASN B . n 
B 1 63 SER 63 63 63 SER SER B . n 
B 1 64 LEU 64 64 64 LEU LEU B . n 
B 1 65 GLU 65 65 65 GLU GLU B . n 
B 1 66 ASP 66 66 66 ASP ASP B . n 
B 1 67 LYS 67 67 67 LYS LYS B . n 
B 1 68 ALA 68 68 68 ALA ALA B . n 
B 1 69 PHE 69 69 69 PHE PHE B . n 
B 1 70 GLN 70 70 70 GLN GLN B . n 
B 1 71 LEU 71 71 71 LEU LEU B . n 
B 1 72 THR 72 72 72 THR THR B . n 
B 1 73 PRO 73 73 73 PRO PRO B . n 
B 1 74 ILE 74 74 74 ILE ILE B . n 
B 1 75 ALA 75 75 75 ALA ALA B . n 
B 1 76 VAL 76 76 76 VAL VAL B . n 
B 1 77 GLN 77 77 77 GLN GLN B . n 
B 1 78 MET 78 78 78 MET MET B . n 
B 1 79 THR 79 79 79 THR THR B . n 
B 1 80 LYS 80 80 80 LYS LYS B . n 
B 1 81 LEU 81 81 81 LEU LEU B . n 
B 1 82 ALA 82 82 82 ALA ALA B . n 
B 1 83 THR 83 83 83 THR THR B . n 
B 1 84 THR 84 84 84 THR THR B . n 
B 1 85 GLU 85 85 85 GLU GLU B . n 
B 1 86 GLU 86 86 86 GLU GLU B . n 
B 1 87 LEU 87 87 87 LEU LEU B . n 
B 1 88 PRO 88 88 88 PRO PRO B . n 
B 1 89 ASP 89 89 89 ASP ASP B . n 
B 1 90 GLU 90 90 90 GLU GLU B . n 
B 1 91 PHE 91 91 91 PHE PHE B . n 
B 1 92 VAL 92 92 92 VAL VAL B . n 
B 1 93 VAL 93 93 93 VAL VAL B . n 
B 1 94 VAL 94 94 94 VAL VAL B . n 
B 1 95 THR 95 95 95 THR THR B . n 
B 1 96 VAL 96 96 96 VAL VAL B . n 
B 1 97 LYS 97 97 97 LYS LYS B . n 
# 
loop_
_pdbx_nonpoly_scheme.asym_id 
_pdbx_nonpoly_scheme.entity_id 
_pdbx_nonpoly_scheme.mon_id 
_pdbx_nonpoly_scheme.ndb_seq_num 
_pdbx_nonpoly_scheme.pdb_seq_num 
_pdbx_nonpoly_scheme.auth_seq_num 
_pdbx_nonpoly_scheme.pdb_mon_id 
_pdbx_nonpoly_scheme.auth_mon_id 
_pdbx_nonpoly_scheme.pdb_strand_id 
_pdbx_nonpoly_scheme.pdb_ins_code 
C 2 15P 1  100 100 15P 15P B . 
D 3 HOH 1  101 31  HOH HOH A . 
D 3 HOH 2  102 11  HOH HOH A . 
D 3 HOH 3  103 47  HOH HOH A . 
D 3 HOH 4  104 26  HOH HOH A . 
D 3 HOH 5  105 8   HOH HOH A . 
D 3 HOH 6  106 6   HOH HOH A . 
D 3 HOH 7  107 44  HOH HOH A . 
D 3 HOH 8  108 2   HOH HOH A . 
D 3 HOH 9  109 9   HOH HOH A . 
D 3 HOH 10 110 23  HOH HOH A . 
D 3 HOH 11 111 41  HOH HOH A . 
D 3 HOH 12 112 19  HOH HOH A . 
D 3 HOH 13 113 33  HOH HOH A . 
D 3 HOH 14 114 12  HOH HOH A . 
D 3 HOH 15 115 13  HOH HOH A . 
D 3 HOH 16 116 4   HOH HOH A . 
D 3 HOH 17 117 48  HOH HOH A . 
D 3 HOH 18 118 7   HOH HOH A . 
D 3 HOH 19 119 40  HOH HOH A . 
D 3 HOH 20 120 16  HOH HOH A . 
D 3 HOH 21 121 10  HOH HOH A . 
D 3 HOH 22 122 39  HOH HOH A . 
D 3 HOH 23 123 18  HOH HOH A . 
D 3 HOH 24 124 28  HOH HOH A . 
D 3 HOH 25 125 43  HOH HOH A . 
D 3 HOH 26 126 5   HOH HOH A . 
D 3 HOH 27 127 1   HOH HOH A . 
D 3 HOH 28 128 3   HOH HOH A . 
D 3 HOH 29 129 30  HOH HOH A . 
D 3 HOH 30 130 29  HOH HOH A . 
D 3 HOH 31 131 35  HOH HOH A . 
D 3 HOH 32 132 42  HOH HOH A . 
D 3 HOH 33 133 32  HOH HOH A . 
D 3 HOH 34 134 34  HOH HOH A . 
D 3 HOH 35 135 21  HOH HOH A . 
D 3 HOH 36 136 25  HOH HOH A . 
D 3 HOH 37 137 37  HOH HOH A . 
D 3 HOH 38 138 24  HOH HOH A . 
E 3 HOH 1  201 20  HOH HOH B . 
E 3 HOH 2  202 17  HOH HOH B . 
E 3 HOH 3  203 27  HOH HOH B . 
E 3 HOH 4  204 46  HOH HOH B . 
E 3 HOH 5  205 38  HOH HOH B . 
E 3 HOH 6  206 49  HOH HOH B . 
E 3 HOH 7  207 22  HOH HOH B . 
E 3 HOH 8  208 14  HOH HOH B . 
E 3 HOH 9  209 36  HOH HOH B . 
E 3 HOH 10 210 45  HOH HOH B . 
E 3 HOH 11 211 15  HOH HOH B . 
# 
loop_
_pdbx_unobs_or_zero_occ_atoms.id 
_pdbx_unobs_or_zero_occ_atoms.PDB_model_num 
_pdbx_unobs_or_zero_occ_atoms.polymer_flag 
_pdbx_unobs_or_zero_occ_atoms.occupancy_flag 
_pdbx_unobs_or_zero_occ_atoms.auth_asym_id 
_pdbx_unobs_or_zero_occ_atoms.auth_comp_id 
_pdbx_unobs_or_zero_occ_atoms.auth_seq_id 
_pdbx_unobs_or_zero_occ_atoms.PDB_ins_code 
_pdbx_unobs_or_zero_occ_atoms.auth_atom_id 
_pdbx_unobs_or_zero_occ_atoms.label_alt_id 
_pdbx_unobs_or_zero_occ_atoms.label_asym_id 
_pdbx_unobs_or_zero_occ_atoms.label_comp_id 
_pdbx_unobs_or_zero_occ_atoms.label_seq_id 
_pdbx_unobs_or_zero_occ_atoms.label_atom_id 
1   1 Y 1 A ARG 25  ? CG  ? A ARG 25 CG  
2   1 Y 1 A ARG 25  ? CD  ? A ARG 25 CD  
3   1 Y 1 A ARG 25  ? NE  ? A ARG 25 NE  
4   1 Y 1 A ARG 25  ? CZ  ? A ARG 25 CZ  
5   1 Y 1 A ARG 25  ? NH1 ? A ARG 25 NH1 
6   1 Y 1 A ARG 25  ? NH2 ? A ARG 25 NH2 
7   1 Y 1 A ASN 62  ? CG  ? A ASN 62 CG  
8   1 Y 1 A ASN 62  ? OD1 ? A ASN 62 OD1 
9   1 Y 1 A ASN 62  ? ND2 ? A ASN 62 ND2 
10  1 Y 1 A LEU 64  ? CG  ? A LEU 64 CG  
11  1 Y 1 A LEU 64  ? CD1 ? A LEU 64 CD1 
12  1 Y 1 A LEU 64  ? CD2 ? A LEU 64 CD2 
13  1 Y 1 A GLU 65  ? CG  ? A GLU 65 CG  
14  1 Y 1 A GLU 65  ? CD  ? A GLU 65 CD  
15  1 Y 1 A GLU 65  ? OE1 ? A GLU 65 OE1 
16  1 Y 1 A GLU 65  ? OE2 ? A GLU 65 OE2 
17  1 Y 1 A GLN 77  ? CG  ? A GLN 77 CG  
18  1 Y 1 A GLN 77  ? CD  ? A GLN 77 CD  
19  1 Y 1 A GLN 77  ? OE1 ? A GLN 77 OE1 
20  1 Y 1 A GLN 77  ? NE2 ? A GLN 77 NE2 
21  1 Y 1 B LYS 4   ? CG  ? B LYS 4  CG  
22  1 Y 1 B LYS 4   ? CD  ? B LYS 4  CD  
23  1 Y 1 B LYS 4   ? CE  ? B LYS 4  CE  
24  1 Y 1 B LYS 4   ? NZ  ? B LYS 4  NZ  
25  1 Y 1 B GLU 7   ? CG  ? B GLU 7  CG  
26  1 Y 1 B GLU 7   ? CD  ? B GLU 7  CD  
27  1 Y 1 B GLU 7   ? OE1 ? B GLU 7  OE1 
28  1 Y 1 B GLU 7   ? OE2 ? B GLU 7  OE2 
29  1 Y 1 B LYS 40  ? CG  ? B LYS 40 CG  
30  1 Y 1 B LYS 40  ? CD  ? B LYS 40 CD  
31  1 Y 1 B LYS 40  ? CE  ? B LYS 40 CE  
32  1 Y 1 B LYS 40  ? NZ  ? B LYS 40 NZ  
33  1 Y 1 B LEU 61  ? CG  ? B LEU 61 CG  
34  1 Y 1 B LEU 61  ? CD1 ? B LEU 61 CD1 
35  1 Y 1 B LEU 61  ? CD2 ? B LEU 61 CD2 
36  1 Y 1 B GLU 65  ? CG  ? B GLU 65 CG  
37  1 Y 1 B GLU 65  ? CD  ? B GLU 65 CD  
38  1 Y 1 B GLU 65  ? OE1 ? B GLU 65 OE1 
39  1 Y 1 B GLU 65  ? OE2 ? B GLU 65 OE2 
40  1 Y 1 B ASP 66  ? CG  ? B ASP 66 CG  
41  1 Y 1 B ASP 66  ? OD1 ? B ASP 66 OD1 
42  1 Y 1 B ASP 66  ? OD2 ? B ASP 66 OD2 
43  1 Y 1 B GLU 85  ? CG  ? B GLU 85 CG  
44  1 Y 1 B GLU 85  ? CD  ? B GLU 85 CD  
45  1 Y 1 B GLU 85  ? OE1 ? B GLU 85 OE1 
46  1 Y 1 B GLU 85  ? OE2 ? B GLU 85 OE2 
47  1 Y 1 B LYS 97  ? CG  ? B LYS 97 CG  
48  1 Y 1 B LYS 97  ? CD  ? B LYS 97 CD  
49  1 Y 1 B LYS 97  ? CE  ? B LYS 97 CE  
50  1 Y 1 B LYS 97  ? NZ  ? B LYS 97 NZ  
51  1 N 1 B 15P 100 ? OXT ? C 15P 1  OXT 
52  1 N 1 B 15P 100 ? C1  ? C 15P 1  C1  
53  1 N 1 B 15P 100 ? C2  ? C 15P 1  C2  
54  1 N 1 B 15P 100 ? O1  ? C 15P 1  O1  
55  1 N 1 B 15P 100 ? C3  ? C 15P 1  C3  
56  1 N 1 B 15P 100 ? C4  ? C 15P 1  C4  
57  1 N 1 B 15P 100 ? O2  ? C 15P 1  O2  
58  1 N 1 B 15P 100 ? C5  ? C 15P 1  C5  
59  1 N 1 B 15P 100 ? C6  ? C 15P 1  C6  
60  1 N 1 B 15P 100 ? O3  ? C 15P 1  O3  
61  1 N 1 B 15P 100 ? C7  ? C 15P 1  C7  
62  1 N 1 B 15P 100 ? C8  ? C 15P 1  C8  
63  1 N 1 B 15P 100 ? O4  ? C 15P 1  O4  
64  1 N 1 B 15P 100 ? C9  ? C 15P 1  C9  
65  1 N 1 B 15P 100 ? C10 ? C 15P 1  C10 
66  1 N 1 B 15P 100 ? O5  ? C 15P 1  O5  
67  1 N 1 B 15P 100 ? C11 ? C 15P 1  C11 
68  1 N 1 B 15P 100 ? C12 ? C 15P 1  C12 
69  1 N 1 B 15P 100 ? O6  ? C 15P 1  O6  
70  1 N 1 B 15P 100 ? C13 ? C 15P 1  C13 
71  1 N 1 B 15P 100 ? C14 ? C 15P 1  C14 
72  1 N 1 B 15P 100 ? O7  ? C 15P 1  O7  
73  1 N 1 B 15P 100 ? C15 ? C 15P 1  C15 
74  1 N 1 B 15P 100 ? C16 ? C 15P 1  C16 
75  1 N 1 B 15P 100 ? O8  ? C 15P 1  O8  
76  1 N 1 B 15P 100 ? C17 ? C 15P 1  C17 
77  1 N 1 B 15P 100 ? C18 ? C 15P 1  C18 
78  1 N 1 B 15P 100 ? O9  ? C 15P 1  O9  
79  1 N 1 B 15P 100 ? C19 ? C 15P 1  C19 
80  1 N 1 B 15P 100 ? C20 ? C 15P 1  C20 
81  1 N 1 B 15P 100 ? O10 ? C 15P 1  O10 
82  1 N 1 B 15P 100 ? C21 ? C 15P 1  C21 
83  1 N 1 B 15P 100 ? C22 ? C 15P 1  C22 
84  1 N 1 B 15P 100 ? O11 ? C 15P 1  O11 
85  1 N 1 B 15P 100 ? C23 ? C 15P 1  C23 
86  1 N 1 B 15P 100 ? C24 ? C 15P 1  C24 
87  1 N 1 B 15P 100 ? O12 ? C 15P 1  O12 
88  1 N 1 B 15P 100 ? C25 ? C 15P 1  C25 
89  1 N 1 B 15P 100 ? C26 ? C 15P 1  C26 
90  1 N 1 B 15P 100 ? O13 ? C 15P 1  O13 
91  1 N 1 B 15P 100 ? C27 ? C 15P 1  C27 
92  1 N 1 B 15P 100 ? C28 ? C 15P 1  C28 
93  1 N 1 B 15P 100 ? O14 ? C 15P 1  O14 
94  1 N 1 B 15P 100 ? C29 ? C 15P 1  C29 
95  1 N 1 B 15P 100 ? C30 ? C 15P 1  C30 
96  1 N 1 B 15P 100 ? O15 ? C 15P 1  O15 
97  1 N 1 B 15P 100 ? C31 ? C 15P 1  C31 
98  1 N 1 B 15P 100 ? C32 ? C 15P 1  C32 
99  1 N 1 B 15P 100 ? O16 ? C 15P 1  O16 
100 1 N 1 B 15P 100 ? C33 ? C 15P 1  C33 
101 1 N 1 B 15P 100 ? C34 ? C 15P 1  C34 
102 1 N 1 B 15P 100 ? O17 ? C 15P 1  O17 
103 1 N 1 B 15P 100 ? C35 ? C 15P 1  C35 
104 1 N 1 B 15P 100 ? C36 ? C 15P 1  C36 
105 1 N 1 B 15P 100 ? O18 ? C 15P 1  O18 
106 1 N 1 B 15P 100 ? C37 ? C 15P 1  C37 
107 1 N 1 B 15P 100 ? C38 ? C 15P 1  C38 
108 1 N 1 B 15P 100 ? O19 ? C 15P 1  O19 
109 1 N 1 B 15P 100 ? C39 ? C 15P 1  C39 
110 1 N 1 B 15P 100 ? C40 ? C 15P 1  C40 
111 1 N 1 B 15P 100 ? O20 ? C 15P 1  O20 
112 1 N 1 B 15P 100 ? C41 ? C 15P 1  C41 
113 1 N 1 B 15P 100 ? C42 ? C 15P 1  C42 
114 1 N 1 B 15P 100 ? O21 ? C 15P 1  O21 
115 1 N 1 B 15P 100 ? C43 ? C 15P 1  C43 
116 1 N 1 B 15P 100 ? C44 ? C 15P 1  C44 
117 1 N 1 B 15P 100 ? O22 ? C 15P 1  O22 
118 1 N 1 B 15P 100 ? C45 ? C 15P 1  C45 
119 1 N 1 B 15P 100 ? C46 ? C 15P 1  C46 
120 1 N 1 B 15P 100 ? O23 ? C 15P 1  O23 
121 1 N 1 B 15P 100 ? C47 ? C 15P 1  C47 
122 1 N 1 B 15P 100 ? C48 ? C 15P 1  C48 
123 1 N 1 B 15P 100 ? O24 ? C 15P 1  O24 
124 1 N 1 B 15P 100 ? C49 ? C 15P 1  C49 
125 1 N 1 B 15P 100 ? C50 ? C 15P 1  C50 
126 1 N 1 B 15P 100 ? O25 ? C 15P 1  O25 
127 1 N 1 B 15P 100 ? C51 ? C 15P 1  C51 
128 1 N 1 B 15P 100 ? C52 ? C 15P 1  C52 
129 1 N 1 B 15P 100 ? O26 ? C 15P 1  O26 
130 1 N 1 B 15P 100 ? C53 ? C 15P 1  C53 
131 1 N 1 B 15P 100 ? C54 ? C 15P 1  C54 
132 1 N 1 B 15P 100 ? O27 ? C 15P 1  O27 
133 1 N 1 B 15P 100 ? C55 ? C 15P 1  C55 
134 1 N 1 B 15P 100 ? C56 ? C 15P 1  C56 
135 1 N 1 B 15P 100 ? O28 ? C 15P 1  O28 
136 1 N 1 B 15P 100 ? C57 ? C 15P 1  C57 
137 1 N 1 B 15P 100 ? C58 ? C 15P 1  C58 
138 1 N 1 B 15P 100 ? O29 ? C 15P 1  O29 
139 1 N 1 B 15P 100 ? C59 ? C 15P 1  C59 
140 1 N 1 B 15P 100 ? C60 ? C 15P 1  C60 
# 
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  ? ? ? 5.8.0258                 1 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? DIALS   ? ? ? 2.2.4-g04de204b4-release 2 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? Aimless ? ? ? 0.7.4                    3 
? phasing          ? ? ? ? ? ? ? ? ? ? ? MOLREP  ? ? ? 11.7.02                  4 
# 
_cell.angle_alpha                  90.000 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   90.000 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  90.000 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     6Z4U 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     36.030 
_cell.length_a_esd                 ? 
_cell.length_b                     64.571 
_cell.length_b_esd                 ? 
_cell.length_c                     73.536 
_cell.length_c_esd                 ? 
_cell.volume                       ? 
_cell.volume_esd                   ? 
_cell.Z_PDB                        8 
_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             ? 
# 
_symmetry.entry_id                         6Z4U 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                19 
_symmetry.space_group_name_Hall            ? 
_symmetry.space_group_name_H-M             'P 21 21 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                   6Z4U 
_exptl.crystals_number            1 
_exptl.details                    ? 
_exptl.method                     'X-RAY DIFFRACTION' 
_exptl.method_details             ? 
# 
_exptl_crystal.colour                      ? 
_exptl_crystal.density_diffrn              ? 
_exptl_crystal.density_Matthews            1.98 
_exptl_crystal.density_method              ? 
_exptl_crystal.density_percent_sol         37.83 
_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_grow.apparatus       ? 
_exptl_crystal_grow.atmosphere      ? 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.details         ? 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, SITTING DROP' 
_exptl_crystal_grow.method_ref      ? 
_exptl_crystal_grow.pH              6.5 
_exptl_crystal_grow.pressure        ? 
_exptl_crystal_grow.pressure_esd    ? 
_exptl_crystal_grow.seeding         ? 
_exptl_crystal_grow.seeding_ref     ? 
_exptl_crystal_grow.temp            293.15 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.temp_esd        ? 
_exptl_crystal_grow.time            ? 
_exptl_crystal_grow.pdbx_details    
;Protein at 8.3 mg/ml in 20 mM Tris pH 7.0
150 mM NaCl, 1mM DTT was mixed in a 3:2 ratio with the MORPHEUS crystallization screen condition E4 (Tube 2-4; 0.12 M Ethylene glycols 0.1 M Buffer System 1 pH 6.5 37.5 % v/v Precipitant Mix 4)
;
_exptl_crystal_grow.pdbx_pH_range   ? 
# 
_diffrn.ambient_environment              ? 
_diffrn.ambient_temp                     100 
_diffrn.ambient_temp_details             ? 
_diffrn.ambient_temp_esd                 ? 
_diffrn.crystal_id                       1 
_diffrn.crystal_support                  ? 
_diffrn.crystal_treatment                ? 
_diffrn.details                          ? 
_diffrn.id                               1 
_diffrn.ambient_pressure                 ? 
_diffrn.ambient_pressure_esd             ? 
_diffrn.ambient_pressure_gt              ? 
_diffrn.ambient_pressure_lt              ? 
_diffrn.ambient_temp_gt                  ? 
_diffrn.ambient_temp_lt                  ? 
_diffrn.pdbx_serial_crystal_experiment   N 
# 
_diffrn_detector.details                      ? 
_diffrn_detector.detector                     PIXEL 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         'DECTRIS EIGER X 16M' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2020-05-15 
_diffrn_detector.pdbx_frequency               ? 
# 
_diffrn_radiation.collimation                      ? 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.filter_edge                      ? 
_diffrn_radiation.inhomogeneity                    ? 
_diffrn_radiation.monochromator                    'Si 111 double crystal' 
_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   0.979329 
_diffrn_radiation_wavelength.wt           1.0 
# 
_diffrn_source.current                     ? 
_diffrn_source.details                     ? 
_diffrn_source.diffrn_id                   1 
_diffrn_source.power                       ? 
_diffrn_source.size                        ? 
_diffrn_source.source                      SYNCHROTRON 
_diffrn_source.target                      ? 
_diffrn_source.type                        'NSLS-II BEAMLINE 17-ID-2' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        0.979329 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   17-ID-2 
_diffrn_source.pdbx_synchrotron_site       NSLS-II 
# 
_reflns.B_iso_Wilson_estimate            ? 
_reflns.entry_id                         6Z4U 
_reflns.data_reduction_details           ? 
_reflns.data_reduction_method            ? 
_reflns.d_resolution_high                1.950 
_reflns.d_resolution_low                 36.770 
_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                       13064 
_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             99.300 
_reflns.R_free_details                   ? 
_reflns.Rmerge_F_all                     ? 
_reflns.Rmerge_F_obs                     ? 
_reflns.Friedel_coverage                 ? 
_reflns.number_gt                        ? 
_reflns.threshold_expression             ? 
_reflns.pdbx_redundancy                  7.400 
_reflns.pdbx_Rmerge_I_obs                0.123 
_reflns.pdbx_Rmerge_I_all                ? 
_reflns.pdbx_Rsym_value                  ? 
_reflns.pdbx_netI_over_av_sigmaI         ? 
_reflns.pdbx_netI_over_sigmaI            8.500 
_reflns.pdbx_res_netI_over_av_sigmaI_2   ? 
_reflns.pdbx_res_netI_over_sigmaI_2      ? 
_reflns.pdbx_chi_squared                 ? 
_reflns.pdbx_scaling_rejects             ? 
_reflns.pdbx_d_res_high_opt              ? 
_reflns.pdbx_d_res_low_opt               ? 
_reflns.pdbx_d_res_opt_method            ? 
_reflns.phase_calculation_details        ? 
_reflns.pdbx_Rrim_I_all                  0.133 
_reflns.pdbx_Rpim_I_all                  0.050 
_reflns.pdbx_d_opt                       ? 
_reflns.pdbx_number_measured_all         ? 
_reflns.pdbx_diffrn_id                   1 
_reflns.pdbx_ordinal                     1 
_reflns.pdbx_CC_half                     0.934 
_reflns.pdbx_CC_star                     ? 
_reflns.pdbx_R_split                     ? 
# 
loop_
_reflns_shell.d_res_high 
_reflns_shell.d_res_low 
_reflns_shell.meanI_over_sigI_all 
_reflns_shell.meanI_over_sigI_obs 
_reflns_shell.number_measured_all 
_reflns_shell.number_measured_obs 
_reflns_shell.number_possible 
_reflns_shell.number_unique_all 
_reflns_shell.number_unique_obs 
_reflns_shell.percent_possible_all 
_reflns_shell.percent_possible_obs 
_reflns_shell.Rmerge_F_all 
_reflns_shell.Rmerge_F_obs 
_reflns_shell.Rmerge_I_all 
_reflns_shell.Rmerge_I_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 
_reflns_shell.pdbx_Rsym_value 
_reflns_shell.pdbx_chi_squared 
_reflns_shell.pdbx_netI_over_sigmaI_all 
_reflns_shell.pdbx_netI_over_sigmaI_obs 
_reflns_shell.pdbx_Rrim_I_all 
_reflns_shell.pdbx_Rpim_I_all 
_reflns_shell.pdbx_rejects 
_reflns_shell.pdbx_ordinal 
_reflns_shell.pdbx_diffrn_id 
_reflns_shell.pdbx_CC_half 
_reflns_shell.pdbx_CC_star 
_reflns_shell.pdbx_R_split 
1.950 1.990  ? ? ? ? ? ? 877 95.100 ? ? ? ? 0.783 ? ? ? ? ? ? ? ? 7.600 ? ? ? ? 0.838 0.291 ? 1 1 0.893 ? ? 
8.920 36.770 ? ? ? ? ? ? 174 99.400 ? ? ? ? 0.080 ? ? ? ? ? ? ? ? 5.900 ? ? ? ? 0.089 0.036 ? 2 1 0.992 ? ? 
# 
_refine.aniso_B[1][1]                            -0.1100 
_refine.aniso_B[1][2]                            0.0000 
_refine.aniso_B[1][3]                            0.0000 
_refine.aniso_B[2][2]                            2.1300 
_refine.aniso_B[2][3]                            -0.0000 
_refine.aniso_B[3][3]                            -2.0200 
_refine.B_iso_max                                82.540 
_refine.B_iso_mean                               33.5850 
_refine.B_iso_min                                16.120 
_refine.correlation_coeff_Fo_to_Fc               0.9450 
_refine.correlation_coeff_Fo_to_Fc_free          0.9220 
_refine.details                                  'U VALUES      : WITH TLS ADDED' 
_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                                 6Z4U 
_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                            1.9500 
_refine.ls_d_res_low                             36.7700 
_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                     12363 
_refine.ls_number_reflns_R_free                  639 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.5000 
_refine.ls_percent_reflns_R_free                 4.9000 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.2194 
_refine.ls_R_factor_R_free                       0.2567 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.2175 
_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                          0.000 
_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                      2CME 
_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                       0.1860 
_refine.pdbx_overall_ESU_R_Free                  0.1660 
_refine.pdbx_solvent_vdw_probe_radii             1.2000 
_refine.pdbx_solvent_ion_probe_radii             0.8000 
_refine.pdbx_solvent_shrinkage_radii             0.8000 
_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                             9.0170 
_refine.overall_SU_ML                            0.1300 
_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                         final 
_refine_hist.details                          ? 
_refine_hist.d_res_high                       1.9500 
_refine_hist.d_res_low                        36.7700 
_refine_hist.number_atoms_solvent             49 
_refine_hist.number_atoms_total               1312 
_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       166 
_refine_hist.pdbx_B_iso_mean_ligand           61.65 
_refine_hist.pdbx_B_iso_mean_solvent          39.01 
_refine_hist.pdbx_number_atoms_protein        1249 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         14 
_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' ? 0.009  0.012  1282 ? r_bond_refined_d       ? ? 
'X-RAY DIFFRACTION' ? 1.704  1.656  1744 ? r_angle_refined_deg    ? ? 
'X-RAY DIFFRACTION' ? 8.277  5.000  162  ? r_dihedral_angle_1_deg ? ? 
'X-RAY DIFFRACTION' ? 34.830 22.558 43   ? r_dihedral_angle_2_deg ? ? 
'X-RAY DIFFRACTION' ? 16.957 15.000 221  ? r_dihedral_angle_3_deg ? ? 
'X-RAY DIFFRACTION' ? 17.032 15.000 6    ? r_dihedral_angle_4_deg ? ? 
'X-RAY DIFFRACTION' ? 0.105  0.200  188  ? r_chiral_restr         ? ? 
'X-RAY DIFFRACTION' ? 0.009  0.020  904  ? r_gen_planes_refined   ? ? 
# 
_refine_ls_shell.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_ls_shell.d_res_high                       1.9500 
_refine_ls_shell.d_res_low                        2.0010 
_refine_ls_shell.number_reflns_all                951 
_refine_ls_shell.number_reflns_obs                ? 
_refine_ls_shell.number_reflns_R_free             55 
_refine_ls_shell.number_reflns_R_work             896 
_refine_ls_shell.percent_reflns_obs               99.3700 
_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                  0.2720 
_refine_ls_shell.R_factor_R_free_error            0.0000 
_refine_ls_shell.R_factor_R_work                  0.2100 
_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                    ? 
# 
_struct.entry_id                     6Z4U 
_struct.title                        'X-ray Crystallographic Structure of Orf9b from SARS-CoV-2' 
_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        6Z4U 
_struct_keywords.text            'orf9b, VIRAL PROTEIN' 
_struct_keywords.pdbx_keywords   'VIRAL PROTEIN' 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 1 ? 
C N N 2 ? 
D N N 3 ? 
E N N 3 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    ORF9B_SARS2 
_struct_ref.pdbx_db_accession          P0DTD2 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;MDPKISEMHPALRLVDPQIQLAVTRMENAVGRDQNNVGPKVYPIILRLGSPLSLNMARKTLNSLEDKAFQLTPIAVQMTK
LATTEELPDEFVVVTVK
;
_struct_ref.pdbx_align_begin           1 
# 
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 6Z4U A 1 ? 97 ? P0DTD2 1 ? 97 ? 1 97 
2 1 6Z4U B 1 ? 97 ? P0DTD2 1 ? 97 ? 1 97 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_and_software_defined_assembly 
_pdbx_struct_assembly.method_details       PISA 
_pdbx_struct_assembly.oligomeric_details   dimeric 
_pdbx_struct_assembly.oligomeric_count     2 
# 
loop_
_pdbx_struct_assembly_prop.biol_id 
_pdbx_struct_assembly_prop.type 
_pdbx_struct_assembly_prop.value 
_pdbx_struct_assembly_prop.details 
1 'ABSA (A^2)' 3150 ? 
1 MORE         -22  ? 
1 'SSA (A^2)'  9340 ? 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C,D,E 
# 
_pdbx_struct_assembly_auth_evidence.id                     1 
_pdbx_struct_assembly_auth_evidence.assembly_id            1 
_pdbx_struct_assembly_auth_evidence.experimental_support   none 
_pdbx_struct_assembly_auth_evidence.details                ? 
# 
_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 LYS A 4  ? MET A 8  ? LYS A 4  MET A 8  5 ? 5 
HELX_P HELX_P2 AA2 THR A 83 ? LEU A 87 ? THR A 83 LEU A 87 5 ? 5 
HELX_P HELX_P3 AA3 THR B 83 ? LEU B 87 ? THR B 83 LEU B 87 5 ? 5 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
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 HIS 9 A . ? HIS 9 A PRO 10 A ? PRO 10 A 1 2.07   
2 HIS 9 B . ? HIS 9 B PRO 10 B ? PRO 10 B 1 -16.93 
# 
loop_
_struct_sheet.id 
_struct_sheet.type 
_struct_sheet.number_strands 
_struct_sheet.details 
AA1 ? 6 ? 
AA2 ? 7 ? 
AA3 ? 6 ? 
# 
loop_
_struct_sheet_order.sheet_id 
_struct_sheet_order.range_id_1 
_struct_sheet_order.range_id_2 
_struct_sheet_order.offset 
_struct_sheet_order.sense 
AA1 1 2 ? anti-parallel 
AA1 2 3 ? anti-parallel 
AA1 3 4 ? parallel      
AA1 4 5 ? anti-parallel 
AA1 5 6 ? anti-parallel 
AA2 1 2 ? anti-parallel 
AA2 2 3 ? anti-parallel 
AA2 3 4 ? anti-parallel 
AA2 4 5 ? parallel      
AA2 5 6 ? anti-parallel 
AA2 6 7 ? anti-parallel 
AA3 1 2 ? anti-parallel 
AA3 2 3 ? anti-parallel 
AA3 3 4 ? anti-parallel 
AA3 4 5 ? anti-parallel 
AA3 5 6 ? 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 MET A 78 ? THR A 79 ? MET A 78 THR A 79 
AA1 2 LEU A 12 ? VAL A 15 ? LEU A 12 VAL A 15 
AA1 3 ILE A 44 ? LEU A 48 ? ILE A 44 LEU A 48 
AA1 4 GLU A 90 ? VAL A 96 ? GLU A 90 VAL A 96 
AA1 5 LEU B 52 ? ASN B 62 ? LEU B 52 ASN B 62 
AA1 6 LYS B 67 ? ILE B 74 ? LYS B 67 ILE B 74 
AA2 1 LYS A 40 ? TYR A 42 ? LYS A 40 TYR A 42 
AA2 2 ILE A 19 ? VAL A 23 ? ILE A 19 VAL A 23 
AA2 3 ILE B 19 ? VAL B 23 ? ILE B 19 VAL B 23 
AA2 4 LYS B 40 ? LEU B 48 ? LYS B 40 LEU B 48 
AA2 5 GLU B 90 ? VAL B 96 ? GLU B 90 VAL B 96 
AA2 6 LEU A 52 ? LEU A 61 ? LEU A 52 LEU A 61 
AA2 7 ALA A 68 ? ILE A 74 ? ALA A 68 ILE A 74 
AA3 1 LYS A 40 ? TYR A 42 ? LYS A 40 TYR A 42 
AA3 2 ILE A 19 ? VAL A 23 ? ILE A 19 VAL A 23 
AA3 3 ILE B 19 ? VAL B 23 ? ILE B 19 VAL B 23 
AA3 4 LYS B 40 ? LEU B 48 ? LYS B 40 LEU B 48 
AA3 5 ARG B 13 ? VAL B 15 ? ARG B 13 VAL B 15 
AA3 6 MET B 78 ? LYS B 80 ? MET B 78 LYS B 80 
# 
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 O THR A 79 ? O THR A 79 N LEU A 14 ? N LEU A 14 
AA1 2 3 N ARG A 13 ? N ARG A 13 O LEU A 46 ? O LEU A 46 
AA1 3 4 N ILE A 45 ? N ILE A 45 O VAL A 94 ? O VAL A 94 
AA1 4 5 N PHE A 91 ? N PHE A 91 O ALA B 57 ? O ALA B 57 
AA1 5 6 N ARG B 58 ? N ARG B 58 O GLN B 70 ? O GLN B 70 
AA2 1 2 O LYS A 40 ? O LYS A 40 N VAL A 23 ? N VAL A 23 
AA2 2 3 N ALA A 22 ? N ALA A 22 O GLN B 20 ? O GLN B 20 
AA2 3 4 N VAL B 23 ? N VAL B 23 O LYS B 40 ? O LYS B 40 
AA2 4 5 N ILE B 45 ? N ILE B 45 O VAL B 94 ? O VAL B 94 
AA2 5 6 O PHE B 91 ? O PHE B 91 N ALA A 57 ? N ALA A 57 
AA2 6 7 N MET A 56 ? N MET A 56 O THR A 72 ? O THR A 72 
AA3 1 2 O LYS A 40 ? O LYS A 40 N VAL A 23 ? N VAL A 23 
AA3 2 3 N ALA A 22 ? N ALA A 22 O GLN B 20 ? O GLN B 20 
AA3 3 4 N VAL B 23 ? N VAL B 23 O LYS B 40 ? O LYS B 40 
AA3 4 5 O LEU B 46 ? O LEU B 46 N ARG B 13 ? N ARG B 13 
AA3 5 6 N LEU B 14 ? N LEU B 14 O THR B 79 ? O THR B 79 
# 
_struct_site.id                   AC1 
_struct_site.pdbx_evidence_code   Software 
_struct_site.pdbx_auth_asym_id    B 
_struct_site.pdbx_auth_comp_id    15P 
_struct_site.pdbx_auth_seq_id     100 
_struct_site.pdbx_auth_ins_code   ? 
_struct_site.pdbx_num_residues    3 
_struct_site.details              'binding site for residue 15P B 100' 
# 
loop_
_struct_site_gen.id 
_struct_site_gen.site_id 
_struct_site_gen.pdbx_num_res 
_struct_site_gen.label_comp_id 
_struct_site_gen.label_asym_id 
_struct_site_gen.label_seq_id 
_struct_site_gen.pdbx_auth_ins_code 
_struct_site_gen.auth_comp_id 
_struct_site_gen.auth_asym_id 
_struct_site_gen.auth_seq_id 
_struct_site_gen.label_atom_id 
_struct_site_gen.label_alt_id 
_struct_site_gen.symmetry 
_struct_site_gen.details 
1 AC1 3 LEU B 52 ? LEU B 52  . ? 1_555 ? 
2 AC1 3 MET B 78 ? MET B 78  . ? 1_555 ? 
3 AC1 3 HOH E .  ? HOH B 201 . ? 1_555 ? 
# 
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 GLU A 7  ? ? -140.99 49.58  
2 1 ASP A 16 ? ? -31.66  122.09 
3 1 SER A 63 ? ? -166.91 117.34 
4 1 GLU B 7  ? ? 174.28  -16.97 
5 1 ASP B 16 ? ? -27.25  114.61 
6 1 PRO B 17 ? ? -66.84  2.23   
# 
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 7.2629 3.4733  -5.4267 0.0945 ? -0.0094 ? 0.0214 ? 0.0685 ? 0.0013 ? 0.1238 ? 0.0672 ? -0.2815 ? 
-0.1446 ? 1.5394 ? 0.7805 ? 0.8167 ? 0.0333  ? 0.0120  ? 0.0468 ? -0.0825 ? -0.0859 ? -0.0564 ? 0.0567 ? -0.0901 ? 0.0526 ? 
2 'X-RAY DIFFRACTION' ? refined 9.7455 -5.5155 -2.9489 0.1894 ? -0.0127 ? 0.0261 ? 0.0055 ? 0.0046 ? 0.0432 ? 0.5925 ? -1.2299 ? 
-0.4210 ? 2.5652 ? 1.0157 ? 2.3811 ? -0.0811 ? -0.0178 ? 0.0596 ? 0.1647  ? 0.0259  ? -0.1132 ? 0.4617 ? -0.0461 ? 0.0552 ? 
# 
loop_
_pdbx_refine_tls_group.id 
_pdbx_refine_tls_group.pdbx_refine_id 
_pdbx_refine_tls_group.refine_tls_id 
_pdbx_refine_tls_group.beg_label_asym_id 
_pdbx_refine_tls_group.beg_label_seq_id 
_pdbx_refine_tls_group.beg_auth_asym_id 
_pdbx_refine_tls_group.beg_auth_seq_id 
_pdbx_refine_tls_group.beg_PDB_ins_code 
_pdbx_refine_tls_group.end_label_asym_id 
_pdbx_refine_tls_group.end_label_seq_id 
_pdbx_refine_tls_group.end_auth_asym_id 
_pdbx_refine_tls_group.end_auth_seq_id 
_pdbx_refine_tls_group.end_PDB_ins_code 
_pdbx_refine_tls_group.selection 
_pdbx_refine_tls_group.selection_details 
1 'X-RAY DIFFRACTION' 1 ? ? A 1 ? ? ? A 97 ? ? ? 
2 'X-RAY DIFFRACTION' 2 ? ? B 2 ? ? ? B 97 ? ? ? 
# 
_pdbx_entry_details.entry_id                 6Z4U 
_pdbx_entry_details.nonpolymer_details       ? 
_pdbx_entry_details.sequence_details         ? 
_pdbx_entry_details.compound_details         ? 
_pdbx_entry_details.source_details           ? 
_pdbx_entry_details.has_ligand_of_interest   N 
# 
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 MET 26 ? A MET 26 
2  1 Y 1 A GLU 27 ? A GLU 27 
3  1 Y 1 A ASN 28 ? A ASN 28 
4  1 Y 1 A ALA 29 ? A ALA 29 
5  1 Y 1 A VAL 30 ? A VAL 30 
6  1 Y 1 A GLY 31 ? A GLY 31 
7  1 Y 1 A ARG 32 ? A ARG 32 
8  1 Y 1 A ASP 33 ? A ASP 33 
9  1 Y 1 A GLN 34 ? A GLN 34 
10 1 Y 1 A ASN 35 ? A ASN 35 
11 1 Y 1 A ASN 36 ? A ASN 36 
12 1 Y 1 A VAL 37 ? A VAL 37 
13 1 Y 1 A GLY 38 ? A GLY 38 
14 1 Y 1 B MET 1  ? B MET 1  
15 1 Y 1 B ARG 25 ? B ARG 25 
16 1 Y 1 B MET 26 ? B MET 26 
17 1 Y 1 B GLU 27 ? B GLU 27 
18 1 Y 1 B ASN 28 ? B ASN 28 
19 1 Y 1 B ALA 29 ? B ALA 29 
20 1 Y 1 B VAL 30 ? B VAL 30 
21 1 Y 1 B GLY 31 ? B GLY 31 
22 1 Y 1 B ARG 32 ? B ARG 32 
23 1 Y 1 B ASP 33 ? B ASP 33 
24 1 Y 1 B GLN 34 ? B GLN 34 
25 1 Y 1 B ASN 35 ? B ASN 35 
26 1 Y 1 B ASN 36 ? B ASN 36 
27 1 Y 1 B VAL 37 ? B VAL 37 
28 1 Y 1 B GLY 38 ? B GLY 38 
# 
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 
15P OXT  O N N 1   
15P C1   C N N 2   
15P C2   C N N 3   
15P O1   O N N 4   
15P C3   C N N 5   
15P C4   C N N 6   
15P O2   O N N 7   
15P C5   C N N 8   
15P C6   C N N 9   
15P O3   O N N 10  
15P C7   C N N 11  
15P C8   C N N 12  
15P O4   O N N 13  
15P C9   C N N 14  
15P C10  C N N 15  
15P O5   O N N 16  
15P C11  C N N 17  
15P C12  C N N 18  
15P O6   O N N 19  
15P C13  C N N 20  
15P C14  C N N 21  
15P O7   O N N 22  
15P C15  C N N 23  
15P C16  C N N 24  
15P O8   O N N 25  
15P C17  C N N 26  
15P C18  C N N 27  
15P O9   O N N 28  
15P C19  C N N 29  
15P C20  C N N 30  
15P O10  O N N 31  
15P C21  C N N 32  
15P C22  C N N 33  
15P O11  O N N 34  
15P C23  C N N 35  
15P C24  C N N 36  
15P O12  O N N 37  
15P C25  C N N 38  
15P C26  C N N 39  
15P O13  O N N 40  
15P C27  C N N 41  
15P C28  C N N 42  
15P O14  O N N 43  
15P C29  C N N 44  
15P C30  C N N 45  
15P O15  O N N 46  
15P C31  C N N 47  
15P C32  C N N 48  
15P O16  O N N 49  
15P C33  C N N 50  
15P C34  C N N 51  
15P O17  O N N 52  
15P C35  C N N 53  
15P C36  C N N 54  
15P O18  O N N 55  
15P C37  C N N 56  
15P C38  C N N 57  
15P O19  O N N 58  
15P C39  C N N 59  
15P C40  C N N 60  
15P O20  O N N 61  
15P C41  C N N 62  
15P C42  C N N 63  
15P O21  O N N 64  
15P C43  C N N 65  
15P C44  C N N 66  
15P O22  O N N 67  
15P C45  C N N 68  
15P C46  C N N 69  
15P O23  O N N 70  
15P C47  C N N 71  
15P C48  C N N 72  
15P O24  O N N 73  
15P C49  C N N 74  
15P C50  C N N 75  
15P O25  O N N 76  
15P C51  C N N 77  
15P C52  C N N 78  
15P O26  O N N 79  
15P C53  C N N 80  
15P C54  C N N 81  
15P O27  O N N 82  
15P C55  C N N 83  
15P C56  C N N 84  
15P O28  O N N 85  
15P C57  C N N 86  
15P C58  C N N 87  
15P O29  O N N 88  
15P C59  C N N 89  
15P C60  C N N 90  
15P O30  O N N 91  
15P C61  C N N 92  
15P C62  C N N 93  
15P O31  O N N 94  
15P C63  C N N 95  
15P C64  C N N 96  
15P O32  O N N 97  
15P C65  C N N 98  
15P C66  C N N 99  
15P O33  O N N 100 
15P C67  C N N 101 
15P C68  C N N 102 
15P O34  O N N 103 
15P CM   C N N 104 
15P HXT  H N N 105 
15P H11  H N N 106 
15P H21  H N N 107 
15P H12  H N N 108 
15P H22  H N N 109 
15P H13  H N N 110 
15P H23  H N N 111 
15P H14  H N N 112 
15P H24  H N N 113 
15P H15  H N N 114 
15P H25  H N N 115 
15P H16  H N N 116 
15P H26  H N N 117 
15P H17  H N N 118 
15P H27  H N N 119 
15P H18  H N N 120 
15P H28  H N N 121 
15P H19  H N N 122 
15P H29  H N N 123 
15P H101 H N N 124 
15P H102 H N N 125 
15P H111 H N N 126 
15P H112 H N N 127 
15P H121 H N N 128 
15P H122 H N N 129 
15P H131 H N N 130 
15P H132 H N N 131 
15P H141 H N N 132 
15P H142 H N N 133 
15P H151 H N N 134 
15P H152 H N N 135 
15P H161 H N N 136 
15P H162 H N N 137 
15P H171 H N N 138 
15P H172 H N N 139 
15P H181 H N N 140 
15P H182 H N N 141 
15P H191 H N N 142 
15P H192 H N N 143 
15P H201 H N N 144 
15P H202 H N N 145 
15P H211 H N N 146 
15P H212 H N N 147 
15P H221 H N N 148 
15P H222 H N N 149 
15P H231 H N N 150 
15P H232 H N N 151 
15P H241 H N N 152 
15P H242 H N N 153 
15P H251 H N N 154 
15P H252 H N N 155 
15P H261 H N N 156 
15P H262 H N N 157 
15P H271 H N N 158 
15P H272 H N N 159 
15P H281 H N N 160 
15P H282 H N N 161 
15P H291 H N N 162 
15P H292 H N N 163 
15P H301 H N N 164 
15P H302 H N N 165 
15P H311 H N N 166 
15P H312 H N N 167 
15P H321 H N N 168 
15P H322 H N N 169 
15P H331 H N N 170 
15P H332 H N N 171 
15P H341 H N N 172 
15P H342 H N N 173 
15P H351 H N N 174 
15P H352 H N N 175 
15P H361 H N N 176 
15P H362 H N N 177 
15P H371 H N N 178 
15P H372 H N N 179 
15P H381 H N N 180 
15P H382 H N N 181 
15P H391 H N N 182 
15P H392 H N N 183 
15P H401 H N N 184 
15P H402 H N N 185 
15P H411 H N N 186 
15P H412 H N N 187 
15P H421 H N N 188 
15P H422 H N N 189 
15P H431 H N N 190 
15P H432 H N N 191 
15P H441 H N N 192 
15P H442 H N N 193 
15P H451 H N N 194 
15P H452 H N N 195 
15P H461 H N N 196 
15P H462 H N N 197 
15P H471 H N N 198 
15P H472 H N N 199 
15P H481 H N N 200 
15P H482 H N N 201 
15P H491 H N N 202 
15P H492 H N N 203 
15P H501 H N N 204 
15P H502 H N N 205 
15P H511 H N N 206 
15P H512 H N N 207 
15P H521 H N N 208 
15P H522 H N N 209 
15P H531 H N N 210 
15P H532 H N N 211 
15P H541 H N N 212 
15P H542 H N N 213 
15P H551 H N N 214 
15P H552 H N N 215 
15P H561 H N N 216 
15P H562 H N N 217 
15P H571 H N N 218 
15P H572 H N N 219 
15P H581 H N N 220 
15P H582 H N N 221 
15P H591 H N N 222 
15P H592 H N N 223 
15P H601 H N N 224 
15P H602 H N N 225 
15P H611 H N N 226 
15P H612 H N N 227 
15P H621 H N N 228 
15P H622 H N N 229 
15P H631 H N N 230 
15P H632 H N N 231 
15P H641 H N N 232 
15P H642 H N N 233 
15P H651 H N N 234 
15P H652 H N N 235 
15P H661 H N N 236 
15P H662 H N N 237 
15P H671 H N N 238 
15P H672 H N N 239 
15P H681 H N N 240 
15P H682 H N N 241 
15P HCM1 H N N 242 
15P HCM2 H N N 243 
15P HCM3 H N N 244 
ALA N    N N N 245 
ALA CA   C N S 246 
ALA C    C N N 247 
ALA O    O N N 248 
ALA CB   C N N 249 
ALA OXT  O N N 250 
ALA H    H N N 251 
ALA H2   H N N 252 
ALA HA   H N N 253 
ALA HB1  H N N 254 
ALA HB2  H N N 255 
ALA HB3  H N N 256 
ALA HXT  H N N 257 
ARG N    N N N 258 
ARG CA   C N S 259 
ARG C    C N N 260 
ARG O    O N N 261 
ARG CB   C N N 262 
ARG CG   C N N 263 
ARG CD   C N N 264 
ARG NE   N N N 265 
ARG CZ   C N N 266 
ARG NH1  N N N 267 
ARG NH2  N N N 268 
ARG OXT  O N N 269 
ARG H    H N N 270 
ARG H2   H N N 271 
ARG HA   H N N 272 
ARG HB2  H N N 273 
ARG HB3  H N N 274 
ARG HG2  H N N 275 
ARG HG3  H N N 276 
ARG HD2  H N N 277 
ARG HD3  H N N 278 
ARG HE   H N N 279 
ARG HH11 H N N 280 
ARG HH12 H N N 281 
ARG HH21 H N N 282 
ARG HH22 H N N 283 
ARG HXT  H N N 284 
ASN N    N N N 285 
ASN CA   C N S 286 
ASN C    C N N 287 
ASN O    O N N 288 
ASN CB   C N N 289 
ASN CG   C N N 290 
ASN OD1  O N N 291 
ASN ND2  N N N 292 
ASN OXT  O N N 293 
ASN H    H N N 294 
ASN H2   H N N 295 
ASN HA   H N N 296 
ASN HB2  H N N 297 
ASN HB3  H N N 298 
ASN HD21 H N N 299 
ASN HD22 H N N 300 
ASN HXT  H N N 301 
ASP N    N N N 302 
ASP CA   C N S 303 
ASP C    C N N 304 
ASP O    O N N 305 
ASP CB   C N N 306 
ASP CG   C N N 307 
ASP OD1  O N N 308 
ASP OD2  O N N 309 
ASP OXT  O N N 310 
ASP H    H N N 311 
ASP H2   H N N 312 
ASP HA   H N N 313 
ASP HB2  H N N 314 
ASP HB3  H N N 315 
ASP HD2  H N N 316 
ASP HXT  H N N 317 
GLN N    N N N 318 
GLN CA   C N S 319 
GLN C    C N N 320 
GLN O    O N N 321 
GLN CB   C N N 322 
GLN CG   C N N 323 
GLN CD   C N N 324 
GLN OE1  O N N 325 
GLN NE2  N N N 326 
GLN OXT  O N N 327 
GLN H    H N N 328 
GLN H2   H N N 329 
GLN HA   H N N 330 
GLN HB2  H N N 331 
GLN HB3  H N N 332 
GLN HG2  H N N 333 
GLN HG3  H N N 334 
GLN HE21 H N N 335 
GLN HE22 H N N 336 
GLN HXT  H N N 337 
GLU N    N N N 338 
GLU CA   C N S 339 
GLU C    C N N 340 
GLU O    O N N 341 
GLU CB   C N N 342 
GLU CG   C N N 343 
GLU CD   C N N 344 
GLU OE1  O N N 345 
GLU OE2  O N N 346 
GLU OXT  O N N 347 
GLU H    H N N 348 
GLU H2   H N N 349 
GLU HA   H N N 350 
GLU HB2  H N N 351 
GLU HB3  H N N 352 
GLU HG2  H N N 353 
GLU HG3  H N N 354 
GLU HE2  H N N 355 
GLU HXT  H N N 356 
GLY N    N N N 357 
GLY CA   C N N 358 
GLY C    C N N 359 
GLY O    O N N 360 
GLY OXT  O N N 361 
GLY H    H N N 362 
GLY H2   H N N 363 
GLY HA2  H N N 364 
GLY HA3  H N N 365 
GLY HXT  H N N 366 
HIS N    N N N 367 
HIS CA   C N S 368 
HIS C    C N N 369 
HIS O    O N N 370 
HIS CB   C N N 371 
HIS CG   C Y N 372 
HIS ND1  N Y N 373 
HIS CD2  C Y N 374 
HIS CE1  C Y N 375 
HIS NE2  N Y N 376 
HIS OXT  O N N 377 
HIS H    H N N 378 
HIS H2   H N N 379 
HIS HA   H N N 380 
HIS HB2  H N N 381 
HIS HB3  H N N 382 
HIS HD1  H N N 383 
HIS HD2  H N N 384 
HIS HE1  H N N 385 
HIS HE2  H N N 386 
HIS HXT  H N N 387 
HOH O    O N N 388 
HOH H1   H N N 389 
HOH H2   H N N 390 
ILE N    N N N 391 
ILE CA   C N S 392 
ILE C    C N N 393 
ILE O    O N N 394 
ILE CB   C N S 395 
ILE CG1  C N N 396 
ILE CG2  C N N 397 
ILE CD1  C N N 398 
ILE OXT  O N N 399 
ILE H    H N N 400 
ILE H2   H N N 401 
ILE HA   H N N 402 
ILE HB   H N N 403 
ILE HG12 H N N 404 
ILE HG13 H N N 405 
ILE HG21 H N N 406 
ILE HG22 H N N 407 
ILE HG23 H N N 408 
ILE HD11 H N N 409 
ILE HD12 H N N 410 
ILE HD13 H N N 411 
ILE HXT  H N N 412 
LEU N    N N N 413 
LEU CA   C N S 414 
LEU C    C N N 415 
LEU O    O N N 416 
LEU CB   C N N 417 
LEU CG   C N N 418 
LEU CD1  C N N 419 
LEU CD2  C N N 420 
LEU OXT  O N N 421 
LEU H    H N N 422 
LEU H2   H N N 423 
LEU HA   H N N 424 
LEU HB2  H N N 425 
LEU HB3  H N N 426 
LEU HG   H N N 427 
LEU HD11 H N N 428 
LEU HD12 H N N 429 
LEU HD13 H N N 430 
LEU HD21 H N N 431 
LEU HD22 H N N 432 
LEU HD23 H N N 433 
LEU HXT  H N N 434 
LYS N    N N N 435 
LYS CA   C N S 436 
LYS C    C N N 437 
LYS O    O N N 438 
LYS CB   C N N 439 
LYS CG   C N N 440 
LYS CD   C N N 441 
LYS CE   C N N 442 
LYS NZ   N N N 443 
LYS OXT  O N N 444 
LYS H    H N N 445 
LYS H2   H N N 446 
LYS HA   H N N 447 
LYS HB2  H N N 448 
LYS HB3  H N N 449 
LYS HG2  H N N 450 
LYS HG3  H N N 451 
LYS HD2  H N N 452 
LYS HD3  H N N 453 
LYS HE2  H N N 454 
LYS HE3  H N N 455 
LYS HZ1  H N N 456 
LYS HZ2  H N N 457 
LYS HZ3  H N N 458 
LYS HXT  H N N 459 
MET N    N N N 460 
MET CA   C N S 461 
MET C    C N N 462 
MET O    O N N 463 
MET CB   C N N 464 
MET CG   C N N 465 
MET SD   S N N 466 
MET CE   C N N 467 
MET OXT  O N N 468 
MET H    H N N 469 
MET H2   H N N 470 
MET HA   H N N 471 
MET HB2  H N N 472 
MET HB3  H N N 473 
MET HG2  H N N 474 
MET HG3  H N N 475 
MET HE1  H N N 476 
MET HE2  H N N 477 
MET HE3  H N N 478 
MET HXT  H N N 479 
PHE N    N N N 480 
PHE CA   C N S 481 
PHE C    C N N 482 
PHE O    O N N 483 
PHE CB   C N N 484 
PHE CG   C Y N 485 
PHE CD1  C Y N 486 
PHE CD2  C Y N 487 
PHE CE1  C Y N 488 
PHE CE2  C Y N 489 
PHE CZ   C Y N 490 
PHE OXT  O N N 491 
PHE H    H N N 492 
PHE H2   H N N 493 
PHE HA   H N N 494 
PHE HB2  H N N 495 
PHE HB3  H N N 496 
PHE HD1  H N N 497 
PHE HD2  H N N 498 
PHE HE1  H N N 499 
PHE HE2  H N N 500 
PHE HZ   H N N 501 
PHE HXT  H N N 502 
PRO N    N N N 503 
PRO CA   C N S 504 
PRO C    C N N 505 
PRO O    O N N 506 
PRO CB   C N N 507 
PRO CG   C N N 508 
PRO CD   C N N 509 
PRO OXT  O N N 510 
PRO H    H N N 511 
PRO HA   H N N 512 
PRO HB2  H N N 513 
PRO HB3  H N N 514 
PRO HG2  H N N 515 
PRO HG3  H N N 516 
PRO HD2  H N N 517 
PRO HD3  H N N 518 
PRO HXT  H N N 519 
SER N    N N N 520 
SER CA   C N S 521 
SER C    C N N 522 
SER O    O N N 523 
SER CB   C N N 524 
SER OG   O N N 525 
SER OXT  O N N 526 
SER H    H N N 527 
SER H2   H N N 528 
SER HA   H N N 529 
SER HB2  H N N 530 
SER HB3  H N N 531 
SER HG   H N N 532 
SER HXT  H N N 533 
THR N    N N N 534 
THR CA   C N S 535 
THR C    C N N 536 
THR O    O N N 537 
THR CB   C N R 538 
THR OG1  O N N 539 
THR CG2  C N N 540 
THR OXT  O N N 541 
THR H    H N N 542 
THR H2   H N N 543 
THR HA   H N N 544 
THR HB   H N N 545 
THR HG1  H N N 546 
THR HG21 H N N 547 
THR HG22 H N N 548 
THR HG23 H N N 549 
THR HXT  H N N 550 
TYR N    N N N 551 
TYR CA   C N S 552 
TYR C    C N N 553 
TYR O    O N N 554 
TYR CB   C N N 555 
TYR CG   C Y N 556 
TYR CD1  C Y N 557 
TYR CD2  C Y N 558 
TYR CE1  C Y N 559 
TYR CE2  C Y N 560 
TYR CZ   C Y N 561 
TYR OH   O N N 562 
TYR OXT  O N N 563 
TYR H    H N N 564 
TYR H2   H N N 565 
TYR HA   H N N 566 
TYR HB2  H N N 567 
TYR HB3  H N N 568 
TYR HD1  H N N 569 
TYR HD2  H N N 570 
TYR HE1  H N N 571 
TYR HE2  H N N 572 
TYR HH   H N N 573 
TYR HXT  H N N 574 
VAL N    N N N 575 
VAL CA   C N S 576 
VAL C    C N N 577 
VAL O    O N N 578 
VAL CB   C N N 579 
VAL CG1  C N N 580 
VAL CG2  C N N 581 
VAL OXT  O N N 582 
VAL H    H N N 583 
VAL H2   H N N 584 
VAL HA   H N N 585 
VAL HB   H N N 586 
VAL HG11 H N N 587 
VAL HG12 H N N 588 
VAL HG13 H N N 589 
VAL HG21 H N N 590 
VAL HG22 H N N 591 
VAL HG23 H N N 592 
VAL HXT  H N N 593 
# 
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 
15P OXT C1   sing N N 1   
15P OXT HXT  sing N N 2   
15P C1  C2   sing N N 3   
15P C1  H11  sing N N 4   
15P C1  H21  sing N N 5   
15P C2  O1   sing N N 6   
15P C2  H12  sing N N 7   
15P C2  H22  sing N N 8   
15P O1  C3   sing N N 9   
15P C3  C4   sing N N 10  
15P C3  H13  sing N N 11  
15P C3  H23  sing N N 12  
15P C4  O2   sing N N 13  
15P C4  H14  sing N N 14  
15P C4  H24  sing N N 15  
15P O2  C5   sing N N 16  
15P C5  C6   sing N N 17  
15P C5  H15  sing N N 18  
15P C5  H25  sing N N 19  
15P C6  O3   sing N N 20  
15P C6  H16  sing N N 21  
15P C6  H26  sing N N 22  
15P O3  C7   sing N N 23  
15P C7  C8   sing N N 24  
15P C7  H17  sing N N 25  
15P C7  H27  sing N N 26  
15P C8  O4   sing N N 27  
15P C8  H18  sing N N 28  
15P C8  H28  sing N N 29  
15P O4  C9   sing N N 30  
15P C9  C10  sing N N 31  
15P C9  H19  sing N N 32  
15P C9  H29  sing N N 33  
15P C10 O5   sing N N 34  
15P C10 H101 sing N N 35  
15P C10 H102 sing N N 36  
15P O5  C11  sing N N 37  
15P C11 C12  sing N N 38  
15P C11 H111 sing N N 39  
15P C11 H112 sing N N 40  
15P C12 O6   sing N N 41  
15P C12 H121 sing N N 42  
15P C12 H122 sing N N 43  
15P O6  C13  sing N N 44  
15P C13 C14  sing N N 45  
15P C13 H131 sing N N 46  
15P C13 H132 sing N N 47  
15P C14 O7   sing N N 48  
15P C14 H141 sing N N 49  
15P C14 H142 sing N N 50  
15P O7  C15  sing N N 51  
15P C15 C16  sing N N 52  
15P C15 H151 sing N N 53  
15P C15 H152 sing N N 54  
15P C16 O8   sing N N 55  
15P C16 H161 sing N N 56  
15P C16 H162 sing N N 57  
15P O8  C17  sing N N 58  
15P C17 C18  sing N N 59  
15P C17 H171 sing N N 60  
15P C17 H172 sing N N 61  
15P C18 O9   sing N N 62  
15P C18 H181 sing N N 63  
15P C18 H182 sing N N 64  
15P O9  C19  sing N N 65  
15P C19 C20  sing N N 66  
15P C19 H191 sing N N 67  
15P C19 H192 sing N N 68  
15P C20 O10  sing N N 69  
15P C20 H201 sing N N 70  
15P C20 H202 sing N N 71  
15P O10 C21  sing N N 72  
15P C21 C22  sing N N 73  
15P C21 H211 sing N N 74  
15P C21 H212 sing N N 75  
15P C22 O11  sing N N 76  
15P C22 H221 sing N N 77  
15P C22 H222 sing N N 78  
15P O11 C23  sing N N 79  
15P C23 C24  sing N N 80  
15P C23 H231 sing N N 81  
15P C23 H232 sing N N 82  
15P C24 O12  sing N N 83  
15P C24 H241 sing N N 84  
15P C24 H242 sing N N 85  
15P O12 C25  sing N N 86  
15P C25 C26  sing N N 87  
15P C25 H251 sing N N 88  
15P C25 H252 sing N N 89  
15P C26 O13  sing N N 90  
15P C26 H261 sing N N 91  
15P C26 H262 sing N N 92  
15P O13 C27  sing N N 93  
15P C27 C28  sing N N 94  
15P C27 H271 sing N N 95  
15P C27 H272 sing N N 96  
15P C28 O14  sing N N 97  
15P C28 H281 sing N N 98  
15P C28 H282 sing N N 99  
15P O14 C29  sing N N 100 
15P C29 C30  sing N N 101 
15P C29 H291 sing N N 102 
15P C29 H292 sing N N 103 
15P C30 O15  sing N N 104 
15P C30 H301 sing N N 105 
15P C30 H302 sing N N 106 
15P O15 C31  sing N N 107 
15P C31 C32  sing N N 108 
15P C31 H311 sing N N 109 
15P C31 H312 sing N N 110 
15P C32 O16  sing N N 111 
15P C32 H321 sing N N 112 
15P C32 H322 sing N N 113 
15P O16 C33  sing N N 114 
15P C33 C34  sing N N 115 
15P C33 H331 sing N N 116 
15P C33 H332 sing N N 117 
15P C34 O17  sing N N 118 
15P C34 H341 sing N N 119 
15P C34 H342 sing N N 120 
15P O17 C35  sing N N 121 
15P C35 C36  sing N N 122 
15P C35 H351 sing N N 123 
15P C35 H352 sing N N 124 
15P C36 O18  sing N N 125 
15P C36 H361 sing N N 126 
15P C36 H362 sing N N 127 
15P O18 C37  sing N N 128 
15P C37 C38  sing N N 129 
15P C37 H371 sing N N 130 
15P C37 H372 sing N N 131 
15P C38 O19  sing N N 132 
15P C38 H381 sing N N 133 
15P C38 H382 sing N N 134 
15P O19 C39  sing N N 135 
15P C39 C40  sing N N 136 
15P C39 H391 sing N N 137 
15P C39 H392 sing N N 138 
15P C40 O20  sing N N 139 
15P C40 H401 sing N N 140 
15P C40 H402 sing N N 141 
15P O20 C41  sing N N 142 
15P C41 C42  sing N N 143 
15P C41 H411 sing N N 144 
15P C41 H412 sing N N 145 
15P C42 O21  sing N N 146 
15P C42 H421 sing N N 147 
15P C42 H422 sing N N 148 
15P O21 C43  sing N N 149 
15P C43 C44  sing N N 150 
15P C43 H431 sing N N 151 
15P C43 H432 sing N N 152 
15P C44 O22  sing N N 153 
15P C44 H441 sing N N 154 
15P C44 H442 sing N N 155 
15P O22 C45  sing N N 156 
15P C45 C46  sing N N 157 
15P C45 H451 sing N N 158 
15P C45 H452 sing N N 159 
15P C46 O23  sing N N 160 
15P C46 H461 sing N N 161 
15P C46 H462 sing N N 162 
15P O23 C47  sing N N 163 
15P C47 C48  sing N N 164 
15P C47 H471 sing N N 165 
15P C47 H472 sing N N 166 
15P C48 O24  sing N N 167 
15P C48 H481 sing N N 168 
15P C48 H482 sing N N 169 
15P O24 C49  sing N N 170 
15P C49 C50  sing N N 171 
15P C49 H491 sing N N 172 
15P C49 H492 sing N N 173 
15P C50 O25  sing N N 174 
15P C50 H501 sing N N 175 
15P C50 H502 sing N N 176 
15P O25 C51  sing N N 177 
15P C51 C52  sing N N 178 
15P C51 H511 sing N N 179 
15P C51 H512 sing N N 180 
15P C52 O26  sing N N 181 
15P C52 H521 sing N N 182 
15P C52 H522 sing N N 183 
15P O26 C53  sing N N 184 
15P C53 C54  sing N N 185 
15P C53 H531 sing N N 186 
15P C53 H532 sing N N 187 
15P C54 O27  sing N N 188 
15P C54 H541 sing N N 189 
15P C54 H542 sing N N 190 
15P O27 C55  sing N N 191 
15P C55 C56  sing N N 192 
15P C55 H551 sing N N 193 
15P C55 H552 sing N N 194 
15P C56 O28  sing N N 195 
15P C56 H561 sing N N 196 
15P C56 H562 sing N N 197 
15P O28 C57  sing N N 198 
15P C57 C58  sing N N 199 
15P C57 H571 sing N N 200 
15P C57 H572 sing N N 201 
15P C58 O29  sing N N 202 
15P C58 H581 sing N N 203 
15P C58 H582 sing N N 204 
15P O29 C59  sing N N 205 
15P C59 C60  sing N N 206 
15P C59 H591 sing N N 207 
15P C59 H592 sing N N 208 
15P C60 O30  sing N N 209 
15P C60 H601 sing N N 210 
15P C60 H602 sing N N 211 
15P O30 C61  sing N N 212 
15P C61 C62  sing N N 213 
15P C61 H611 sing N N 214 
15P C61 H612 sing N N 215 
15P C62 O31  sing N N 216 
15P C62 H621 sing N N 217 
15P C62 H622 sing N N 218 
15P O31 C63  sing N N 219 
15P C63 C64  sing N N 220 
15P C63 H631 sing N N 221 
15P C63 H632 sing N N 222 
15P C64 O32  sing N N 223 
15P C64 H641 sing N N 224 
15P C64 H642 sing N N 225 
15P O32 C65  sing N N 226 
15P C65 C66  sing N N 227 
15P C65 H651 sing N N 228 
15P C65 H652 sing N N 229 
15P C66 O33  sing N N 230 
15P C66 H661 sing N N 231 
15P C66 H662 sing N N 232 
15P O33 C67  sing N N 233 
15P C67 C68  sing N N 234 
15P C67 H671 sing N N 235 
15P C67 H672 sing N N 236 
15P C68 O34  sing N N 237 
15P C68 H681 sing N N 238 
15P C68 H682 sing N N 239 
15P O34 CM   sing N N 240 
15P CM  HCM1 sing N N 241 
15P CM  HCM2 sing N N 242 
15P CM  HCM3 sing N N 243 
ALA N   CA   sing N N 244 
ALA N   H    sing N N 245 
ALA N   H2   sing N N 246 
ALA CA  C    sing N N 247 
ALA CA  CB   sing N N 248 
ALA CA  HA   sing N N 249 
ALA C   O    doub N N 250 
ALA C   OXT  sing N N 251 
ALA CB  HB1  sing N N 252 
ALA CB  HB2  sing N N 253 
ALA CB  HB3  sing N N 254 
ALA OXT HXT  sing N N 255 
ARG N   CA   sing N N 256 
ARG N   H    sing N N 257 
ARG N   H2   sing N N 258 
ARG CA  C    sing N N 259 
ARG CA  CB   sing N N 260 
ARG CA  HA   sing N N 261 
ARG C   O    doub N N 262 
ARG C   OXT  sing N N 263 
ARG CB  CG   sing N N 264 
ARG CB  HB2  sing N N 265 
ARG CB  HB3  sing N N 266 
ARG CG  CD   sing N N 267 
ARG CG  HG2  sing N N 268 
ARG CG  HG3  sing N N 269 
ARG CD  NE   sing N N 270 
ARG CD  HD2  sing N N 271 
ARG CD  HD3  sing N N 272 
ARG NE  CZ   sing N N 273 
ARG NE  HE   sing N N 274 
ARG CZ  NH1  sing N N 275 
ARG CZ  NH2  doub N N 276 
ARG NH1 HH11 sing N N 277 
ARG NH1 HH12 sing N N 278 
ARG NH2 HH21 sing N N 279 
ARG NH2 HH22 sing N N 280 
ARG OXT HXT  sing N N 281 
ASN N   CA   sing N N 282 
ASN N   H    sing N N 283 
ASN N   H2   sing N N 284 
ASN CA  C    sing N N 285 
ASN CA  CB   sing N N 286 
ASN CA  HA   sing N N 287 
ASN C   O    doub N N 288 
ASN C   OXT  sing N N 289 
ASN CB  CG   sing N N 290 
ASN CB  HB2  sing N N 291 
ASN CB  HB3  sing N N 292 
ASN CG  OD1  doub N N 293 
ASN CG  ND2  sing N N 294 
ASN ND2 HD21 sing N N 295 
ASN ND2 HD22 sing N N 296 
ASN OXT HXT  sing N N 297 
ASP N   CA   sing N N 298 
ASP N   H    sing N N 299 
ASP N   H2   sing N N 300 
ASP CA  C    sing N N 301 
ASP CA  CB   sing N N 302 
ASP CA  HA   sing N N 303 
ASP C   O    doub N N 304 
ASP C   OXT  sing N N 305 
ASP CB  CG   sing N N 306 
ASP CB  HB2  sing N N 307 
ASP CB  HB3  sing N N 308 
ASP CG  OD1  doub N N 309 
ASP CG  OD2  sing N N 310 
ASP OD2 HD2  sing N N 311 
ASP OXT HXT  sing N N 312 
GLN N   CA   sing N N 313 
GLN N   H    sing N N 314 
GLN N   H2   sing N N 315 
GLN CA  C    sing N N 316 
GLN CA  CB   sing N N 317 
GLN CA  HA   sing N N 318 
GLN C   O    doub N N 319 
GLN C   OXT  sing N N 320 
GLN CB  CG   sing N N 321 
GLN CB  HB2  sing N N 322 
GLN CB  HB3  sing N N 323 
GLN CG  CD   sing N N 324 
GLN CG  HG2  sing N N 325 
GLN CG  HG3  sing N N 326 
GLN CD  OE1  doub N N 327 
GLN CD  NE2  sing N N 328 
GLN NE2 HE21 sing N N 329 
GLN NE2 HE22 sing N N 330 
GLN OXT HXT  sing N N 331 
GLU N   CA   sing N N 332 
GLU N   H    sing N N 333 
GLU N   H2   sing N N 334 
GLU CA  C    sing N N 335 
GLU CA  CB   sing N N 336 
GLU CA  HA   sing N N 337 
GLU C   O    doub N N 338 
GLU C   OXT  sing N N 339 
GLU CB  CG   sing N N 340 
GLU CB  HB2  sing N N 341 
GLU CB  HB3  sing N N 342 
GLU CG  CD   sing N N 343 
GLU CG  HG2  sing N N 344 
GLU CG  HG3  sing N N 345 
GLU CD  OE1  doub N N 346 
GLU CD  OE2  sing N N 347 
GLU OE2 HE2  sing N N 348 
GLU OXT HXT  sing N N 349 
GLY N   CA   sing N N 350 
GLY N   H    sing N N 351 
GLY N   H2   sing N N 352 
GLY CA  C    sing N N 353 
GLY CA  HA2  sing N N 354 
GLY CA  HA3  sing N N 355 
GLY C   O    doub N N 356 
GLY C   OXT  sing N N 357 
GLY OXT HXT  sing N N 358 
HIS N   CA   sing N N 359 
HIS N   H    sing N N 360 
HIS N   H2   sing N N 361 
HIS CA  C    sing N N 362 
HIS CA  CB   sing N N 363 
HIS CA  HA   sing N N 364 
HIS C   O    doub N N 365 
HIS C   OXT  sing N N 366 
HIS CB  CG   sing N N 367 
HIS CB  HB2  sing N N 368 
HIS CB  HB3  sing N N 369 
HIS CG  ND1  sing Y N 370 
HIS CG  CD2  doub Y N 371 
HIS ND1 CE1  doub Y N 372 
HIS ND1 HD1  sing N N 373 
HIS CD2 NE2  sing Y N 374 
HIS CD2 HD2  sing N N 375 
HIS CE1 NE2  sing Y N 376 
HIS CE1 HE1  sing N N 377 
HIS NE2 HE2  sing N N 378 
HIS OXT HXT  sing N N 379 
HOH O   H1   sing N N 380 
HOH O   H2   sing N N 381 
ILE N   CA   sing N N 382 
ILE N   H    sing N N 383 
ILE N   H2   sing N N 384 
ILE CA  C    sing N N 385 
ILE CA  CB   sing N N 386 
ILE CA  HA   sing N N 387 
ILE C   O    doub N N 388 
ILE C   OXT  sing N N 389 
ILE CB  CG1  sing N N 390 
ILE CB  CG2  sing N N 391 
ILE CB  HB   sing N N 392 
ILE CG1 CD1  sing N N 393 
ILE CG1 HG12 sing N N 394 
ILE CG1 HG13 sing N N 395 
ILE CG2 HG21 sing N N 396 
ILE CG2 HG22 sing N N 397 
ILE CG2 HG23 sing N N 398 
ILE CD1 HD11 sing N N 399 
ILE CD1 HD12 sing N N 400 
ILE CD1 HD13 sing N N 401 
ILE OXT HXT  sing N N 402 
LEU N   CA   sing N N 403 
LEU N   H    sing N N 404 
LEU N   H2   sing N N 405 
LEU CA  C    sing N N 406 
LEU CA  CB   sing N N 407 
LEU CA  HA   sing N N 408 
LEU C   O    doub N N 409 
LEU C   OXT  sing N N 410 
LEU CB  CG   sing N N 411 
LEU CB  HB2  sing N N 412 
LEU CB  HB3  sing N N 413 
LEU CG  CD1  sing N N 414 
LEU CG  CD2  sing N N 415 
LEU CG  HG   sing N N 416 
LEU CD1 HD11 sing N N 417 
LEU CD1 HD12 sing N N 418 
LEU CD1 HD13 sing N N 419 
LEU CD2 HD21 sing N N 420 
LEU CD2 HD22 sing N N 421 
LEU CD2 HD23 sing N N 422 
LEU OXT HXT  sing N N 423 
LYS N   CA   sing N N 424 
LYS N   H    sing N N 425 
LYS N   H2   sing N N 426 
LYS CA  C    sing N N 427 
LYS CA  CB   sing N N 428 
LYS CA  HA   sing N N 429 
LYS C   O    doub N N 430 
LYS C   OXT  sing N N 431 
LYS CB  CG   sing N N 432 
LYS CB  HB2  sing N N 433 
LYS CB  HB3  sing N N 434 
LYS CG  CD   sing N N 435 
LYS CG  HG2  sing N N 436 
LYS CG  HG3  sing N N 437 
LYS CD  CE   sing N N 438 
LYS CD  HD2  sing N N 439 
LYS CD  HD3  sing N N 440 
LYS CE  NZ   sing N N 441 
LYS CE  HE2  sing N N 442 
LYS CE  HE3  sing N N 443 
LYS NZ  HZ1  sing N N 444 
LYS NZ  HZ2  sing N N 445 
LYS NZ  HZ3  sing N N 446 
LYS OXT HXT  sing N N 447 
MET N   CA   sing N N 448 
MET N   H    sing N N 449 
MET N   H2   sing N N 450 
MET CA  C    sing N N 451 
MET CA  CB   sing N N 452 
MET CA  HA   sing N N 453 
MET C   O    doub N N 454 
MET C   OXT  sing N N 455 
MET CB  CG   sing N N 456 
MET CB  HB2  sing N N 457 
MET CB  HB3  sing N N 458 
MET CG  SD   sing N N 459 
MET CG  HG2  sing N N 460 
MET CG  HG3  sing N N 461 
MET SD  CE   sing N N 462 
MET CE  HE1  sing N N 463 
MET CE  HE2  sing N N 464 
MET CE  HE3  sing N N 465 
MET OXT HXT  sing N N 466 
PHE N   CA   sing N N 467 
PHE N   H    sing N N 468 
PHE N   H2   sing N N 469 
PHE CA  C    sing N N 470 
PHE CA  CB   sing N N 471 
PHE CA  HA   sing N N 472 
PHE C   O    doub N N 473 
PHE C   OXT  sing N N 474 
PHE CB  CG   sing N N 475 
PHE CB  HB2  sing N N 476 
PHE CB  HB3  sing N N 477 
PHE CG  CD1  doub Y N 478 
PHE CG  CD2  sing Y N 479 
PHE CD1 CE1  sing Y N 480 
PHE CD1 HD1  sing N N 481 
PHE CD2 CE2  doub Y N 482 
PHE CD2 HD2  sing N N 483 
PHE CE1 CZ   doub Y N 484 
PHE CE1 HE1  sing N N 485 
PHE CE2 CZ   sing Y N 486 
PHE CE2 HE2  sing N N 487 
PHE CZ  HZ   sing N N 488 
PHE OXT HXT  sing N N 489 
PRO N   CA   sing N N 490 
PRO N   CD   sing N N 491 
PRO N   H    sing N N 492 
PRO CA  C    sing N N 493 
PRO CA  CB   sing N N 494 
PRO CA  HA   sing N N 495 
PRO C   O    doub N N 496 
PRO C   OXT  sing N N 497 
PRO CB  CG   sing N N 498 
PRO CB  HB2  sing N N 499 
PRO CB  HB3  sing N N 500 
PRO CG  CD   sing N N 501 
PRO CG  HG2  sing N N 502 
PRO CG  HG3  sing N N 503 
PRO CD  HD2  sing N N 504 
PRO CD  HD3  sing N N 505 
PRO OXT HXT  sing N N 506 
SER N   CA   sing N N 507 
SER N   H    sing N N 508 
SER N   H2   sing N N 509 
SER CA  C    sing N N 510 
SER CA  CB   sing N N 511 
SER CA  HA   sing N N 512 
SER C   O    doub N N 513 
SER C   OXT  sing N N 514 
SER CB  OG   sing N N 515 
SER CB  HB2  sing N N 516 
SER CB  HB3  sing N N 517 
SER OG  HG   sing N N 518 
SER OXT HXT  sing N N 519 
THR N   CA   sing N N 520 
THR N   H    sing N N 521 
THR N   H2   sing N N 522 
THR CA  C    sing N N 523 
THR CA  CB   sing N N 524 
THR CA  HA   sing N N 525 
THR C   O    doub N N 526 
THR C   OXT  sing N N 527 
THR CB  OG1  sing N N 528 
THR CB  CG2  sing N N 529 
THR CB  HB   sing N N 530 
THR OG1 HG1  sing N N 531 
THR CG2 HG21 sing N N 532 
THR CG2 HG22 sing N N 533 
THR CG2 HG23 sing N N 534 
THR OXT HXT  sing N N 535 
TYR N   CA   sing N N 536 
TYR N   H    sing N N 537 
TYR N   H2   sing N N 538 
TYR CA  C    sing N N 539 
TYR CA  CB   sing N N 540 
TYR CA  HA   sing N N 541 
TYR C   O    doub N N 542 
TYR C   OXT  sing N N 543 
TYR CB  CG   sing N N 544 
TYR CB  HB2  sing N N 545 
TYR CB  HB3  sing N N 546 
TYR CG  CD1  doub Y N 547 
TYR CG  CD2  sing Y N 548 
TYR CD1 CE1  sing Y N 549 
TYR CD1 HD1  sing N N 550 
TYR CD2 CE2  doub Y N 551 
TYR CD2 HD2  sing N N 552 
TYR CE1 CZ   doub Y N 553 
TYR CE1 HE1  sing N N 554 
TYR CE2 CZ   sing Y N 555 
TYR CE2 HE2  sing N N 556 
TYR CZ  OH   sing N N 557 
TYR OH  HH   sing N N 558 
TYR OXT HXT  sing N N 559 
VAL N   CA   sing N N 560 
VAL N   H    sing N N 561 
VAL N   H2   sing N N 562 
VAL CA  C    sing N N 563 
VAL CA  CB   sing N N 564 
VAL CA  HA   sing N N 565 
VAL C   O    doub N N 566 
VAL C   OXT  sing N N 567 
VAL CB  CG1  sing N N 568 
VAL CB  CG2  sing N N 569 
VAL CB  HB   sing N N 570 
VAL CG1 HG11 sing N N 571 
VAL CG1 HG12 sing N N 572 
VAL CG1 HG13 sing N N 573 
VAL CG2 HG21 sing N N 574 
VAL CG2 HG22 sing N N 575 
VAL CG2 HG23 sing N N 576 
VAL OXT HXT  sing N N 577 
# 
_pdbx_initial_refinement_model.id               1 
_pdbx_initial_refinement_model.entity_id_list   ? 
_pdbx_initial_refinement_model.type             'experimental model' 
_pdbx_initial_refinement_model.source_name      PDB 
_pdbx_initial_refinement_model.accession_code   2CME 
_pdbx_initial_refinement_model.details          ? 
# 
_atom_sites.entry_id                    6Z4U 
_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.fract_transf_matrix[1][1]   0.027755 
_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]   0.015487 
_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]   0.013599 
_atom_sites.fract_transf_vector[1]      0.000000 
_atom_sites.fract_transf_vector[2]      0.000000 
_atom_sites.fract_transf_vector[3]      0.000000 
_atom_sites.solution_primary            ? 
_atom_sites.solution_secondary          ? 
_atom_sites.solution_hydrogens          ? 
_atom_sites.special_details             ? 
# 
loop_
_atom_type.symbol 
_atom_type.pdbx_scat_Z 
_atom_type.pdbx_N_electrons 
_atom_type.scat_Cromer_Mann_a1 
_atom_type.scat_Cromer_Mann_b1 
_atom_type.scat_Cromer_Mann_a2 
_atom_type.scat_Cromer_Mann_b2 
_atom_type.scat_Cromer_Mann_a3 
_atom_type.scat_Cromer_Mann_b3 
_atom_type.scat_Cromer_Mann_a4 
_atom_type.scat_Cromer_Mann_b4 
_atom_type.scat_Cromer_Mann_c 
C 6  6  2.310  20.844 1.020 10.208 1.589 0.569  0.865 51.651 0.216   
H 1  1  0.493  10.511 0.323 26.126 0.140 3.142  0.041 57.800 0.003   
N 7  7  12.222 0.006  3.135 9.893  2.014 28.997 1.167 0.583  -11.538 
O 8  8  3.049  13.277 2.287 5.701  1.546 0.324  0.867 32.909 0.251   
S 16 16 6.905  1.468  5.203 22.215 1.438 0.254  1.586 56.172 1.050   
# 
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   . MET A 1 1  ? 14.963 15.231  12.242  1.00 56.39 ? 1   MET A N   1 
ATOM   2    C CA  . MET A 1 1  ? 13.767 16.113  12.282  1.00 54.17 ? 1   MET A CA  1 
ATOM   3    C C   . MET A 1 1  ? 13.944 17.304  11.336  1.00 50.20 ? 1   MET A C   1 
ATOM   4    O O   . MET A 1 1  ? 14.829 18.137  11.492  1.00 53.63 ? 1   MET A O   1 
ATOM   5    C CB  . MET A 1 1  ? 13.462 16.617  13.692  1.00 58.25 ? 1   MET A CB  1 
ATOM   6    C CG  . MET A 1 1  ? 12.107 17.272  13.779  1.00 60.92 ? 1   MET A CG  1 
ATOM   7    S SD  . MET A 1 1  ? 11.743 17.753  15.466  1.00 72.28 ? 1   MET A SD  1 
ATOM   8    C CE  . MET A 1 1  ? 13.215 18.695  15.875  1.00 71.08 ? 1   MET A CE  1 
ATOM   9    N N   . ASP A 1 2  ? 13.016 17.376  10.387  1.00 45.34 ? 2   ASP A N   1 
ATOM   10   C CA  . ASP A 1 2  ? 13.054 18.221  9.212   1.00 38.64 ? 2   ASP A CA  1 
ATOM   11   C C   . ASP A 1 2  ? 12.006 19.286  9.424   1.00 33.40 ? 2   ASP A C   1 
ATOM   12   O O   . ASP A 1 2  ? 11.123 19.049  10.216  1.00 32.45 ? 2   ASP A O   1 
ATOM   13   C CB  . ASP A 1 2  ? 12.727 17.317  8.036   1.00 37.57 ? 2   ASP A CB  1 
ATOM   14   C CG  . ASP A 1 2  ? 13.960 16.480  7.776   1.00 39.21 ? 2   ASP A CG  1 
ATOM   15   O OD1 . ASP A 1 2  ? 15.068 17.049  7.850   1.00 42.68 ? 2   ASP A OD1 1 
ATOM   16   O OD2 . ASP A 1 2  ? 13.813 15.307  7.545   1.00 35.93 ? 2   ASP A OD2 1 
ATOM   17   N N   . PRO A 1 3  ? 12.073 20.475  8.785   1.00 31.85 ? 3   PRO A N   1 
ATOM   18   C CA  . PRO A 1 3  ? 11.133 21.542  9.125   1.00 29.83 ? 3   PRO A CA  1 
ATOM   19   C C   . PRO A 1 3  ? 9.759  21.313  8.496   1.00 27.64 ? 3   PRO A C   1 
ATOM   20   O O   . PRO A 1 3  ? 8.739  21.704  9.039   1.00 28.23 ? 3   PRO A O   1 
ATOM   21   C CB  . PRO A 1 3  ? 11.859 22.818  8.644   1.00 30.44 ? 3   PRO A CB  1 
ATOM   22   C CG  . PRO A 1 3  ? 12.687 22.326  7.477   1.00 31.33 ? 3   PRO A CG  1 
ATOM   23   C CD  . PRO A 1 3  ? 13.098 20.891  7.810   1.00 31.50 ? 3   PRO A CD  1 
ATOM   24   N N   . LYS A 1 4  ? 9.704  20.641  7.350   1.00 24.58 ? 4   LYS A N   1 
ATOM   25   C CA  . LYS A 1 4  ? 8.403  20.401  6.764   1.00 23.78 ? 4   LYS A CA  1 
ATOM   26   C C   . LYS A 1 4  ? 8.540  19.255  5.780   1.00 21.22 ? 4   LYS A C   1 
ATOM   27   O O   . LYS A 1 4  ? 9.651  18.848  5.406   1.00 18.47 ? 4   LYS A O   1 
ATOM   28   C CB  . LYS A 1 4  ? 7.830  21.604  6.007   1.00 27.71 ? 4   LYS A CB  1 
ATOM   29   C CG  . LYS A 1 4  ? 8.857  22.417  5.246   1.00 31.14 ? 4   LYS A CG  1 
ATOM   30   C CD  . LYS A 1 4  ? 8.320  23.713  4.653   1.00 33.96 ? 4   LYS A CD  1 
ATOM   31   C CE  . LYS A 1 4  ? 8.284  24.847  5.645   1.00 37.70 ? 4   LYS A CE  1 
ATOM   32   N NZ  . LYS A 1 4  ? 8.612  26.111  4.942   1.00 43.71 ? 4   LYS A NZ  1 
ATOM   33   N N   . ILE A 1 5  ? 7.369  18.754  5.426   1.00 19.81 ? 5   ILE A N   1 
ATOM   34   C CA  . ILE A 1 5  ? 7.300  17.508  4.685   1.00 19.37 ? 5   ILE A CA  1 
ATOM   35   C C   . ILE A 1 5  ? 7.852  17.681  3.277   1.00 18.31 ? 5   ILE A C   1 
ATOM   36   O O   . ILE A 1 5  ? 8.273  16.706  2.652   1.00 18.99 ? 5   ILE A O   1 
ATOM   37   C CB  . ILE A 1 5  ? 5.852  16.976  4.708   1.00 19.80 ? 5   ILE A CB  1 
ATOM   38   C CG1 . ILE A 1 5  ? 5.882  15.536  4.192   1.00 20.35 ? 5   ILE A CG1 1 
ATOM   39   C CG2 . ILE A 1 5  ? 4.942  17.796  3.811   1.00 18.99 ? 5   ILE A CG2 1 
ATOM   40   C CD1 . ILE A 1 5  ? 4.639  14.771  4.508   1.00 21.83 ? 5   ILE A CD1 1 
ATOM   41   N N   . SER A 1 6  ? 7.836  18.908  2.752   1.00 18.63 ? 6   SER A N   1 
ATOM   42   C CA  . SER A 1 6  ? 8.370  19.147  1.412   1.00 19.12 ? 6   SER A CA  1 
ATOM   43   C C   . SER A 1 6  ? 9.895  19.276  1.425   1.00 19.94 ? 6   SER A C   1 
ATOM   44   O O   . SER A 1 6  ? 10.530 19.508  0.387   1.00 19.34 ? 6   SER A O   1 
ATOM   45   C CB  . SER A 1 6  ? 7.770  20.418  0.852   1.00 19.75 ? 6   SER A CB  1 
ATOM   46   O OG  . SER A 1 6  ? 8.056  21.459  1.752   1.00 18.64 ? 6   SER A OG  1 
ATOM   47   N N   . GLU A 1 7  ? 10.504 19.197  2.613   1.00 20.11 ? 7   GLU A N   1 
ATOM   48   C CA  . GLU A 1 7  ? 11.931 19.488  2.719   1.00 21.82 ? 7   GLU A CA  1 
ATOM   49   C C   . GLU A 1 7  ? 12.570 18.513  3.698   1.00 21.31 ? 7   GLU A C   1 
ATOM   50   O O   . GLU A 1 7  ? 13.272 18.939  4.605   1.00 21.08 ? 7   GLU A O   1 
ATOM   51   C CB  . GLU A 1 7  ? 12.109 20.907  3.290   1.00 25.17 ? 7   GLU A CB  1 
ATOM   52   C CG  . GLU A 1 7  ? 11.657 21.989  2.311   1.00 28.87 ? 7   GLU A CG  1 
ATOM   53   C CD  . GLU A 1 7  ? 11.486 23.411  2.851   1.00 36.58 ? 7   GLU A CD  1 
ATOM   54   O OE1 . GLU A 1 7  ? 11.673 23.644  4.107   1.00 40.22 ? 7   GLU A OE1 1 
ATOM   55   O OE2 . GLU A 1 7  ? 11.157 24.312  2.028   1.00 39.38 ? 7   GLU A OE2 1 
ATOM   56   N N   . MET A 1 8  ? 12.312 17.203  3.530   1.00 19.87 ? 8   MET A N   1 
ATOM   57   C CA  . MET A 1 8  ? 12.883 16.247  4.451   1.00 20.03 ? 8   MET A CA  1 
ATOM   58   C C   . MET A 1 8  ? 14.210 15.709  3.922   1.00 20.53 ? 8   MET A C   1 
ATOM   59   O O   . MET A 1 8  ? 14.512 15.833  2.710   1.00 19.85 ? 8   MET A O   1 
ATOM   60   C CB  . MET A 1 8  ? 11.890 15.107  4.711   1.00 20.32 ? 8   MET A CB  1 
ATOM   61   C CG  . MET A 1 8  ? 10.553 15.635  5.279   1.00 21.29 ? 8   MET A CG  1 
ATOM   62   S SD  . MET A 1 8  ? 9.566  14.184  5.707   1.00 23.29 ? 8   MET A SD  1 
ATOM   63   C CE  . MET A 1 8  ? 10.361 13.611  7.217   1.00 21.61 ? 8   MET A CE  1 
ATOM   64   N N   . HIS A 1 9  ? 14.988 15.074  4.827   1.00 19.85 ? 9   HIS A N   1 
ATOM   65   C CA  . HIS A 1 9  ? 16.316 14.595  4.438   1.00 20.53 ? 9   HIS A CA  1 
ATOM   66   C C   . HIS A 1 9  ? 16.471 13.177  4.955   1.00 21.35 ? 9   HIS A C   1 
ATOM   67   O O   . HIS A 1 9  ? 16.557 13.022  6.174   1.00 22.01 ? 9   HIS A O   1 
ATOM   68   C CB  . HIS A 1 9  ? 17.414 15.470  5.028   1.00 20.95 ? 9   HIS A CB  1 
ATOM   69   C CG  . HIS A 1 9  ? 17.231 16.867  4.517   1.00 21.28 ? 9   HIS A CG  1 
ATOM   70   N ND1 . HIS A 1 9  ? 17.475 17.186  3.187   1.00 21.45 ? 9   HIS A ND1 1 
ATOM   71   C CD2 . HIS A 1 9  ? 16.765 17.984  5.121   1.00 22.05 ? 9   HIS A CD2 1 
ATOM   72   C CE1 . HIS A 1 9  ? 17.176 18.470  2.979   1.00 22.04 ? 9   HIS A CE1 1 
ATOM   73   N NE2 . HIS A 1 9  ? 16.726 18.984  4.163   1.00 22.36 ? 9   HIS A NE2 1 
ATOM   74   N N   . PRO A 1 10 ? 16.433 12.124  4.110   1.00 21.10 ? 10  PRO A N   1 
ATOM   75   C CA  . PRO A 1 10 ? 16.289 12.232  2.655   1.00 20.74 ? 10  PRO A CA  1 
ATOM   76   C C   . PRO A 1 10 ? 14.866 12.640  2.252   1.00 19.50 ? 10  PRO A C   1 
ATOM   77   O O   . PRO A 1 10 ? 13.933 12.630  3.059   1.00 19.05 ? 10  PRO A O   1 
ATOM   78   C CB  . PRO A 1 10 ? 16.671 10.801  2.194   1.00 21.64 ? 10  PRO A CB  1 
ATOM   79   C CG  . PRO A 1 10 ? 16.234 9.908   3.331   1.00 22.37 ? 10  PRO A CG  1 
ATOM   80   C CD  . PRO A 1 10 ? 16.554 10.734  4.558   1.00 22.26 ? 10  PRO A CD  1 
ATOM   81   N N   . ALA A 1 11 ? 14.703 12.997  0.976   1.00 19.24 ? 11  ALA A N   1 
ATOM   82   C CA  . ALA A 1 11 ? 13.458 13.522  0.447   1.00 18.38 ? 11  ALA A CA  1 
ATOM   83   C C   . ALA A 1 11 ? 12.377 12.463  0.631   1.00 18.37 ? 11  ALA A C   1 
ATOM   84   O O   . ALA A 1 11 ? 12.620 11.254  0.495   1.00 18.62 ? 11  ALA A O   1 
ATOM   85   C CB  . ALA A 1 11 ? 13.627 13.841  -1.021  1.00 18.99 ? 11  ALA A CB  1 
ATOM   86   N N   . LEU A 1 12 ? 11.193 12.939  0.947   1.00 17.04 ? 12  LEU A N   1 
ATOM   87   C CA  . LEU A 1 12 ? 9.999  12.121  0.942   1.00 17.19 ? 12  LEU A CA  1 
ATOM   88   C C   . LEU A 1 12 ? 9.228  12.431  -0.350  1.00 17.34 ? 12  LEU A C   1 
ATOM   89   O O   . LEU A 1 12 ? 8.957  13.598  -0.696  1.00 16.28 ? 12  LEU A O   1 
ATOM   90   C CB  . LEU A 1 12 ? 9.153  12.515  2.161   1.00 17.47 ? 12  LEU A CB  1 
ATOM   91   C CG  . LEU A 1 12 ? 7.885  11.667  2.359   1.00 18.74 ? 12  LEU A CG  1 
ATOM   92   C CD1 . LEU A 1 12 ? 7.456  11.698  3.822   1.00 19.08 ? 12  LEU A CD1 1 
ATOM   93   C CD2 . LEU A 1 12 ? 6.726  12.237  1.529   1.00 18.80 ? 12  LEU A CD2 1 
ATOM   94   N N   . ARG A 1 13 ? 8.824  11.357  -1.034  1.00 16.12 ? 13  ARG A N   1 
ATOM   95   C CA  . ARG A 1 13 ? 8.080  11.518  -2.277  1.00 16.75 ? 13  ARG A CA  1 
ATOM   96   C C   . ARG A 1 13 ? 6.955  10.505  -2.299  1.00 17.23 ? 13  ARG A C   1 
ATOM   97   O O   . ARG A 1 13 ? 7.130  9.331   -1.855  1.00 17.11 ? 13  ARG A O   1 
ATOM   98   C CB  . ARG A 1 13 ? 8.932  11.254  -3.527  1.00 17.27 ? 13  ARG A CB  1 
ATOM   99   C CG  . ARG A 1 13 ? 9.994  12.323  -3.807  1.00 17.45 ? 13  ARG A CG  1 
ATOM   100  C CD  . ARG A 1 13 ? 9.316  13.613  -4.265  1.00 18.88 ? 13  ARG A CD  1 
ATOM   101  N NE  . ARG A 1 13 ? 10.265 14.676  -4.514  1.00 19.56 ? 13  ARG A NE  1 
ATOM   102  C CZ  . ARG A 1 13 ? 10.801 15.489  -3.594  1.00 20.32 ? 13  ARG A CZ  1 
ATOM   103  N NH1 . ARG A 1 13 ? 10.442 15.409  -2.318  1.00 20.05 ? 13  ARG A NH1 1 
ATOM   104  N NH2 . ARG A 1 13 ? 11.669 16.430  -3.967  1.00 20.09 ? 13  ARG A NH2 1 
ATOM   105  N N   . LEU A 1 14 ? 5.815  10.977  -2.825  1.00 17.34 ? 14  LEU A N   1 
ATOM   106  C CA  . LEU A 1 14 ? 4.736  10.038  -3.104  1.00 17.43 ? 14  LEU A CA  1 
ATOM   107  C C   . LEU A 1 14 ? 4.930  9.510   -4.529  1.00 18.52 ? 14  LEU A C   1 
ATOM   108  O O   . LEU A 1 14 ? 5.083  10.284  -5.473  1.00 18.77 ? 14  LEU A O   1 
ATOM   109  C CB  . LEU A 1 14 ? 3.416  10.798  -2.975  1.00 18.28 ? 14  LEU A CB  1 
ATOM   110  C CG  . LEU A 1 14 ? 2.190  10.007  -3.471  1.00 19.28 ? 14  LEU A CG  1 
ATOM   111  C CD1 . LEU A 1 14 ? 1.858  8.865   -2.557  1.00 18.87 ? 14  LEU A CD1 1 
ATOM   112  C CD2 . LEU A 1 14 ? 0.981  10.918  -3.617  1.00 19.78 ? 14  LEU A CD2 1 
ATOM   113  N N   . VAL A 1 15 ? 4.840  8.187   -4.695  1.00 17.99 ? 15  VAL A N   1 
ATOM   114  C CA  . VAL A 1 15 ? 4.902  7.631   -6.034  1.00 18.76 ? 15  VAL A CA  1 
ATOM   115  C C   . VAL A 1 15 ? 3.535  7.816   -6.678  1.00 19.73 ? 15  VAL A C   1 
ATOM   116  O O   . VAL A 1 15 ? 2.522  7.501   -6.027  1.00 18.87 ? 15  VAL A O   1 
ATOM   117  C CB  . VAL A 1 15 ? 5.265  6.133   -5.975  1.00 18.31 ? 15  VAL A CB  1 
ATOM   118  C CG1 . VAL A 1 15 ? 5.221  5.533   -7.406  1.00 18.85 ? 15  VAL A CG1 1 
ATOM   119  C CG2 . VAL A 1 15 ? 6.645  5.952   -5.312  1.00 19.09 ? 15  VAL A CG2 1 
ATOM   120  N N   . ASP A 1 16 ? 3.533  8.332   -7.940  1.00 23.03 ? 16  ASP A N   1 
ATOM   121  C CA  . ASP A 1 16 ? 2.386  8.376   -8.848  1.00 26.25 ? 16  ASP A CA  1 
ATOM   122  C C   . ASP A 1 16 ? 1.500  7.157   -8.571  1.00 25.58 ? 16  ASP A C   1 
ATOM   123  O O   . ASP A 1 16 ? 1.944  6.011   -8.684  1.00 23.00 ? 16  ASP A O   1 
ATOM   124  C CB  . ASP A 1 16 ? 2.904  8.402   -10.307 1.00 31.74 ? 16  ASP A CB  1 
ATOM   125  C CG  . ASP A 1 16 ? 1.961  8.064   -11.480 1.00 38.08 ? 16  ASP A CG  1 
ATOM   126  O OD1 . ASP A 1 16 ? 0.769  7.740   -11.260 1.00 35.13 ? 16  ASP A OD1 1 
ATOM   127  O OD2 . ASP A 1 16 ? 2.456  8.106   -12.667 1.00 43.41 ? 16  ASP A OD2 1 
ATOM   128  N N   . PRO A 1 17 ? 0.217  7.384   -8.228  1.00 26.42 ? 17  PRO A N   1 
ATOM   129  C CA  . PRO A 1 17 ? -0.740 6.330   -7.874  1.00 28.21 ? 17  PRO A CA  1 
ATOM   130  C C   . PRO A 1 17 ? -0.982 5.317   -8.981  1.00 29.08 ? 17  PRO A C   1 
ATOM   131  O O   . PRO A 1 17 ? -1.573 4.263   -8.749  1.00 30.46 ? 17  PRO A O   1 
ATOM   132  C CB  . PRO A 1 17 ? -2.054 7.128   -7.818  1.00 29.99 ? 17  PRO A CB  1 
ATOM   133  C CG  . PRO A 1 17 ? -1.605 8.442   -7.322  1.00 29.87 ? 17  PRO A CG  1 
ATOM   134  C CD  . PRO A 1 17 ? -0.368 8.731   -8.125  1.00 28.77 ? 17  PRO A CD  1 
ATOM   135  N N   . GLN A 1 18 ? -0.471 5.606   -10.174 1.00 29.17 ? 18  GLN A N   1 
ATOM   136  C CA  . GLN A 1 18 ? -0.436 4.544   -11.160 1.00 31.76 ? 18  GLN A CA  1 
ATOM   137  C C   . GLN A 1 18 ? 0.439  3.361   -10.752 1.00 30.85 ? 18  GLN A C   1 
ATOM   138  O O   . GLN A 1 18 ? 0.317  2.297   -11.360 1.00 31.56 ? 18  GLN A O   1 
ATOM   139  C CB  . GLN A 1 18 ? -0.024 5.057   -12.536 1.00 34.94 ? 18  GLN A CB  1 
ATOM   140  C CG  . GLN A 1 18 ? -1.237 5.603   -13.272 1.00 41.54 ? 18  GLN A CG  1 
ATOM   141  C CD  . GLN A 1 18 ? -0.894 6.656   -14.295 1.00 46.50 ? 18  GLN A CD  1 
ATOM   142  O OE1 . GLN A 1 18 ? 0.128  7.347   -14.197 1.00 48.00 ? 18  GLN A OE1 1 
ATOM   143  N NE2 . GLN A 1 18 ? -1.781 6.798   -15.271 1.00 46.83 ? 18  GLN A NE2 1 
ATOM   144  N N   . ILE A 1 19 ? 1.352  3.542   -9.799  1.00 26.73 ? 19  ILE A N   1 
ATOM   145  C CA  . ILE A 1 19 ? 2.120  2.422   -9.285  1.00 24.50 ? 19  ILE A CA  1 
ATOM   146  C C   . ILE A 1 19 ? 1.859  2.342   -7.775  1.00 23.05 ? 19  ILE A C   1 
ATOM   147  O O   . ILE A 1 19 ? 2.125  3.301   -7.070  1.00 20.34 ? 19  ILE A O   1 
ATOM   148  C CB  . ILE A 1 19 ? 3.609  2.683   -9.569  1.00 25.04 ? 19  ILE A CB  1 
ATOM   149  C CG1 . ILE A 1 19 ? 3.909  2.672   -11.079 1.00 26.37 ? 19  ILE A CG1 1 
ATOM   150  C CG2 . ILE A 1 19 ? 4.476  1.679   -8.849  1.00 24.56 ? 19  ILE A CG2 1 
ATOM   151  C CD1 . ILE A 1 19 ? 5.299  3.168   -11.425 1.00 26.93 ? 19  ILE A CD1 1 
ATOM   152  N N   . GLN A 1 20 ? 1.367  1.194   -7.282  1.00 22.68 ? 20  GLN A N   1 
ATOM   153  C CA  . GLN A 1 20 ? 1.089  1.051   -5.851  1.00 23.90 ? 20  GLN A CA  1 
ATOM   154  C C   . GLN A 1 20 ? 1.548  -0.336  -5.401  1.00 23.93 ? 20  GLN A C   1 
ATOM   155  O O   . GLN A 1 20 ? 1.957  -1.139  -6.241  1.00 22.55 ? 20  GLN A O   1 
ATOM   156  C CB  . GLN A 1 20 ? -0.403 1.253   -5.554  1.00 26.09 ? 20  GLN A CB  1 
ATOM   157  C CG  . GLN A 1 20 ? -0.819 2.710   -5.717  1.00 28.41 ? 20  GLN A CG  1 
ATOM   158  C CD  . GLN A 1 20 ? -2.204 3.044   -5.226  1.00 32.40 ? 20  GLN A CD  1 
ATOM   159  O OE1 . GLN A 1 20 ? -2.585 2.732   -4.096  1.00 31.53 ? 20  GLN A OE1 1 
ATOM   160  N NE2 . GLN A 1 20 ? -2.965 3.686   -6.102  1.00 33.63 ? 20  GLN A NE2 1 
ATOM   161  N N   . LEU A 1 21 ? 1.635  -0.546  -4.082  1.00 23.40 ? 21  LEU A N   1 
ATOM   162  C CA  . LEU A 1 21 ? 2.015  -1.851  -3.577  1.00 25.35 ? 21  LEU A CA  1 
ATOM   163  C C   . LEU A 1 21 ? 0.761  -2.673  -3.287  1.00 26.80 ? 21  LEU A C   1 
ATOM   164  O O   . LEU A 1 21 ? -0.097 -2.244  -2.531  1.00 26.31 ? 21  LEU A O   1 
ATOM   165  C CB  . LEU A 1 21 ? 2.858  -1.728  -2.302  1.00 24.47 ? 21  LEU A CB  1 
ATOM   166  C CG  . LEU A 1 21 ? 3.702  -2.962  -2.049  1.00 24.70 ? 21  LEU A CG  1 
ATOM   167  C CD1 . LEU A 1 21 ? 4.781  -3.073  -3.114  1.00 25.23 ? 21  LEU A CD1 1 
ATOM   168  C CD2 . LEU A 1 21 ? 4.295  -2.947  -0.640  1.00 24.04 ? 21  LEU A CD2 1 
ATOM   169  N N   . ALA A 1 22 ? 0.708  -3.889  -3.860  1.00 28.47 ? 22  ALA A N   1 
ATOM   170  C CA  . ALA A 1 22 ? -0.394 -4.799  -3.602  1.00 29.96 ? 22  ALA A CA  1 
ATOM   171  C C   . ALA A 1 22 ? 0.024  -5.798  -2.532  1.00 32.22 ? 22  ALA A C   1 
ATOM   172  O O   . ALA A 1 22 ? 1.039  -6.460  -2.671  1.00 31.68 ? 22  ALA A O   1 
ATOM   173  C CB  . ALA A 1 22 ? -0.764 -5.516  -4.884  1.00 31.62 ? 22  ALA A CB  1 
ATOM   174  N N   . VAL A 1 23 ? -0.805 -5.954  -1.497  1.00 36.73 ? 23  VAL A N   1 
ATOM   175  C CA  . VAL A 1 23 ? -0.510 -6.924  -0.457  1.00 43.15 ? 23  VAL A CA  1 
ATOM   176  C C   . VAL A 1 23 ? -1.655 -7.945  -0.382  1.00 47.26 ? 23  VAL A C   1 
ATOM   177  O O   . VAL A 1 23 ? -2.817 -7.564  -0.306  1.00 50.51 ? 23  VAL A O   1 
ATOM   178  C CB  . VAL A 1 23 ? -0.240 -6.182  0.869   1.00 43.94 ? 23  VAL A CB  1 
ATOM   179  C CG1 . VAL A 1 23 ? 0.165  -7.137  1.982   1.00 48.61 ? 23  VAL A CG1 1 
ATOM   180  C CG2 . VAL A 1 23 ? 0.820  -5.087  0.693   1.00 42.50 ? 23  VAL A CG2 1 
ATOM   181  N N   . THR A 1 24 ? -1.357 -9.245  -0.450  1.00 54.02 ? 24  THR A N   1 
ATOM   182  C CA  . THR A 1 24 ? -2.395 -10.256 -0.219  1.00 58.49 ? 24  THR A CA  1 
ATOM   183  C C   . THR A 1 24 ? -2.567 -10.442 1.287   1.00 61.94 ? 24  THR A C   1 
ATOM   184  O O   . THR A 1 24 ? -1.591 -10.720 1.989   1.00 66.11 ? 24  THR A O   1 
ATOM   185  C CB  . THR A 1 24 ? -2.077 -11.610 -0.865  1.00 58.44 ? 24  THR A CB  1 
ATOM   186  O OG1 . THR A 1 24 ? -1.059 -11.442 -1.848  1.00 59.11 ? 24  THR A OG1 1 
ATOM   187  C CG2 . THR A 1 24 ? -3.292 -12.274 -1.480  1.00 61.26 ? 24  THR A CG2 1 
ATOM   188  N N   . ARG A 1 25 ? -3.805 -10.276 1.776   1.00 63.89 ? 25  ARG A N   1 
ATOM   189  C CA  . ARG A 1 25 ? -4.064 -10.184 3.207   1.00 61.69 ? 25  ARG A CA  1 
ATOM   190  C C   . ARG A 1 25 ? -5.555 -10.413 3.486   1.00 61.46 ? 25  ARG A C   1 
ATOM   191  O O   . ARG A 1 25 ? -6.155 -11.223 2.760   1.00 57.67 ? 25  ARG A O   1 
ATOM   192  C CB  . ARG A 1 25 ? -3.630 -8.812  3.739   1.00 60.73 ? 25  ARG A CB  1 
ATOM   193  N N   . PRO A 1 39 ? -6.320 -9.050  -1.774  1.00 61.99 ? 39  PRO A N   1 
ATOM   194  C CA  . PRO A 1 39 ? -5.207 -8.140  -2.076  1.00 59.63 ? 39  PRO A CA  1 
ATOM   195  C C   . PRO A 1 39 ? -5.631 -6.681  -1.887  1.00 56.51 ? 39  PRO A C   1 
ATOM   196  O O   . PRO A 1 39 ? -6.651 -6.253  -2.425  1.00 57.04 ? 39  PRO A O   1 
ATOM   197  C CB  . PRO A 1 39 ? -4.865 -8.441  -3.549  1.00 61.44 ? 39  PRO A CB  1 
ATOM   198  C CG  . PRO A 1 39 ? -5.284 -9.884  -3.748  1.00 62.25 ? 39  PRO A CG  1 
ATOM   199  C CD  . PRO A 1 39 ? -6.465 -10.077 -2.821  1.00 64.00 ? 39  PRO A CD  1 
ATOM   200  N N   . LYS A 1 40 ? -4.877 -5.918  -1.083  1.00 49.90 ? 40  LYS A N   1 
ATOM   201  C CA  . LYS A 1 40 ? -5.156 -4.499  -0.923  1.00 44.71 ? 40  LYS A CA  1 
ATOM   202  C C   . LYS A 1 40 ? -3.998 -3.716  -1.528  1.00 40.13 ? 40  LYS A C   1 
ATOM   203  O O   . LYS A 1 40 ? -2.859 -4.183  -1.519  1.00 39.69 ? 40  LYS A O   1 
ATOM   204  C CB  . LYS A 1 40 ? -5.420 -4.107  0.534   1.00 48.34 ? 40  LYS A CB  1 
ATOM   205  C CG  . LYS A 1 40 ? -5.971 -2.693  0.720   1.00 54.16 ? 40  LYS A CG  1 
ATOM   206  C CD  . LYS A 1 40 ? -7.110 -2.569  1.725   1.00 59.42 ? 40  LYS A CD  1 
ATOM   207  C CE  . LYS A 1 40 ? -6.727 -2.831  3.172   1.00 62.06 ? 40  LYS A CE  1 
ATOM   208  N NZ  . LYS A 1 40 ? -6.412 -1.590  3.930   1.00 59.80 ? 40  LYS A NZ  1 
ATOM   209  N N   . VAL A 1 41 ? -4.313 -2.523  -2.024  1.00 35.90 ? 41  VAL A N   1 
ATOM   210  C CA  . VAL A 1 41 ? -3.378 -1.690  -2.750  1.00 33.61 ? 41  VAL A CA  1 
ATOM   211  C C   . VAL A 1 41 ? -3.069 -0.443  -1.904  1.00 29.85 ? 41  VAL A C   1 
ATOM   212  O O   . VAL A 1 41 ? -3.968 0.238   -1.422  1.00 29.73 ? 41  VAL A O   1 
ATOM   213  C CB  . VAL A 1 41 ? -3.922 -1.370  -4.159  1.00 36.70 ? 41  VAL A CB  1 
ATOM   214  C CG1 . VAL A 1 41 ? -5.149 -0.480  -4.138  1.00 38.13 ? 41  VAL A CG1 1 
ATOM   215  C CG2 . VAL A 1 41 ? -2.877 -0.729  -5.042  1.00 37.01 ? 41  VAL A CG2 1 
ATOM   216  N N   . TYR A 1 42 ? -1.772 -0.171  -1.707  1.00 26.39 ? 42  TYR A N   1 
ATOM   217  C CA  . TYR A 1 42 ? -1.344 0.933   -0.866  1.00 25.10 ? 42  TYR A CA  1 
ATOM   218  C C   . TYR A 1 42 ? -0.558 1.902   -1.736  1.00 22.30 ? 42  TYR A C   1 
ATOM   219  O O   . TYR A 1 42 ? 0.320  1.449   -2.456  1.00 22.06 ? 42  TYR A O   1 
ATOM   220  C CB  . TYR A 1 42 ? -0.447 0.430   0.274   1.00 25.75 ? 42  TYR A CB  1 
ATOM   221  C CG  . TYR A 1 42 ? -1.202 -0.467  1.215   1.00 28.91 ? 42  TYR A CG  1 
ATOM   222  C CD1 . TYR A 1 42 ? -1.261 -1.836  1.000   1.00 30.34 ? 42  TYR A CD1 1 
ATOM   223  C CD2 . TYR A 1 42 ? -1.919 0.067   2.271   1.00 30.89 ? 42  TYR A CD2 1 
ATOM   224  C CE1 . TYR A 1 42 ? -1.989 -2.667  1.841   1.00 32.75 ? 42  TYR A CE1 1 
ATOM   225  C CE2 . TYR A 1 42 ? -2.662 -0.747  3.115   1.00 35.33 ? 42  TYR A CE2 1 
ATOM   226  C CZ  . TYR A 1 42 ? -2.693 -2.117  2.896   1.00 35.69 ? 42  TYR A CZ  1 
ATOM   227  O OH  . TYR A 1 42 ? -3.441 -2.906  3.728   1.00 40.43 ? 42  TYR A OH  1 
ATOM   228  N N   . PRO A 1 43 ? -0.788 3.230   -1.602  1.00 21.88 ? 43  PRO A N   1 
ATOM   229  C CA  . PRO A 1 43 ? 0.188  4.221   -2.085  1.00 20.13 ? 43  PRO A CA  1 
ATOM   230  C C   . PRO A 1 43 ? 1.555  3.983   -1.439  1.00 19.03 ? 43  PRO A C   1 
ATOM   231  O O   . PRO A 1 43 ? 1.680  3.636   -0.248  1.00 19.02 ? 43  PRO A O   1 
ATOM   232  C CB  . PRO A 1 43 ? -0.421 5.567   -1.664  1.00 20.60 ? 43  PRO A CB  1 
ATOM   233  C CG  . PRO A 1 43 ? -1.888 5.264   -1.399  1.00 22.37 ? 43  PRO A CG  1 
ATOM   234  C CD  . PRO A 1 43 ? -1.913 3.836   -0.863  1.00 21.70 ? 43  PRO A CD  1 
ATOM   235  N N   . ILE A 1 44 ? 2.584  4.253   -2.228  1.00 18.05 ? 44  ILE A N   1 
ATOM   236  C CA  . ILE A 1 44 ? 3.979  4.169   -1.822  1.00 17.44 ? 44  ILE A CA  1 
ATOM   237  C C   . ILE A 1 44 ? 4.515  5.563   -1.582  1.00 17.07 ? 44  ILE A C   1 
ATOM   238  O O   . ILE A 1 44 ? 4.565  6.391   -2.482  1.00 17.07 ? 44  ILE A O   1 
ATOM   239  C CB  . ILE A 1 44 ? 4.819  3.495   -2.915  1.00 17.02 ? 44  ILE A CB  1 
ATOM   240  C CG1 . ILE A 1 44 ? 4.204  2.107   -3.212  1.00 17.08 ? 44  ILE A CG1 1 
ATOM   241  C CG2 . ILE A 1 44 ? 6.270  3.372   -2.453  1.00 16.85 ? 44  ILE A CG2 1 
ATOM   242  C CD1 . ILE A 1 44 ? 4.623  1.555   -4.561  1.00 17.16 ? 44  ILE A CD1 1 
ATOM   243  N N   . ILE A 1 45 ? 5.027  5.727   -0.376  1.00 16.99 ? 45  ILE A N   1 
ATOM   244  C CA  . ILE A 1 45 ? 5.901  6.833   -0.048  1.00 17.47 ? 45  ILE A CA  1 
ATOM   245  C C   . ILE A 1 45 ? 7.323  6.315   0.006   1.00 17.73 ? 45  ILE A C   1 
ATOM   246  O O   . ILE A 1 45 ? 7.620  5.298   0.692   1.00 19.39 ? 45  ILE A O   1 
ATOM   247  C CB  . ILE A 1 45 ? 5.503  7.372   1.345   1.00 17.52 ? 45  ILE A CB  1 
ATOM   248  C CG1 . ILE A 1 45 ? 4.076  7.944   1.356   1.00 18.01 ? 45  ILE A CG1 1 
ATOM   249  C CG2 . ILE A 1 45 ? 6.623  8.267   1.884   1.00 17.60 ? 45  ILE A CG2 1 
ATOM   250  C CD1 . ILE A 1 45 ? 3.791  9.171   0.515   1.00 18.96 ? 45  ILE A CD1 1 
ATOM   251  N N   . LEU A 1 46 ? 8.183  7.021   -0.710  1.00 17.74 ? 46  LEU A N   1 
ATOM   252  C CA  . LEU A 1 46 ? 9.621  6.770   -0.699  1.00 18.48 ? 46  LEU A CA  1 
ATOM   253  C C   . LEU A 1 46 ? 10.329 7.741   0.212   1.00 18.89 ? 46  LEU A C   1 
ATOM   254  O O   . LEU A 1 46 ? 10.010 8.945   0.204   1.00 18.28 ? 46  LEU A O   1 
ATOM   255  C CB  . LEU A 1 46 ? 10.179 6.993   -2.105  1.00 18.81 ? 46  LEU A CB  1 
ATOM   256  C CG  . LEU A 1 46 ? 9.600  6.063   -3.168  1.00 20.38 ? 46  LEU A CG  1 
ATOM   257  C CD1 . LEU A 1 46 ? 10.122 6.431   -4.549  1.00 21.18 ? 46  LEU A CD1 1 
ATOM   258  C CD2 . LEU A 1 46 ? 9.881  4.609   -2.849  1.00 21.59 ? 46  LEU A CD2 1 
ATOM   259  N N   . ARG A 1 47 ? 11.322 7.214   0.945   1.00 18.84 ? 47  ARG A N   1 
ATOM   260  C CA  . ARG A 1 47 ? 12.359 8.028   1.545   1.00 19.83 ? 47  ARG A CA  1 
ATOM   261  C C   . ARG A 1 47 ? 13.632 7.760   0.752   1.00 20.17 ? 47  ARG A C   1 
ATOM   262  O O   . ARG A 1 47 ? 14.138 6.649   0.769   1.00 20.85 ? 47  ARG A O   1 
ATOM   263  C CB  . ARG A 1 47 ? 12.507 7.866   3.072   1.00 20.29 ? 47  ARG A CB  1 
ATOM   264  C CG  . ARG A 1 47 ? 11.222 8.063   3.867   1.00 21.06 ? 47  ARG A CG  1 
ATOM   265  C CD  . ARG A 1 47 ? 10.736 9.550   3.768   1.00 20.64 ? 47  ARG A CD  1 
ATOM   266  N NE  . ARG A 1 47 ? 11.854 10.426  4.092   1.00 21.31 ? 47  ARG A NE  1 
ATOM   267  C CZ  . ARG A 1 47 ? 12.207 10.778  5.322   1.00 21.24 ? 47  ARG A CZ  1 
ATOM   268  N NH1 . ARG A 1 47 ? 11.523 10.340  6.373   1.00 20.84 ? 47  ARG A NH1 1 
ATOM   269  N NH2 . ARG A 1 47 ? 13.251 11.555  5.501   1.00 20.23 ? 47  ARG A NH2 1 
ATOM   270  N N   . LEU A 1 48 ? 14.072 8.751   -0.047  1.00 21.66 ? 48  LEU A N   1 
ATOM   271  C CA  . LEU A 1 48 ? 15.015 8.486   -1.131  1.00 22.17 ? 48  LEU A CA  1 
ATOM   272  C C   . LEU A 1 48 ? 16.455 8.642   -0.655  1.00 22.82 ? 48  LEU A C   1 
ATOM   273  O O   . LEU A 1 48 ? 17.078 9.671   -0.956  1.00 22.90 ? 48  LEU A O   1 
ATOM   274  C CB  . LEU A 1 48 ? 14.774 9.512   -2.224  1.00 24.93 ? 48  LEU A CB  1 
ATOM   275  C CG  . LEU A 1 48 ? 13.562 9.250   -3.087  1.00 26.63 ? 48  LEU A CG  1 
ATOM   276  C CD1 . LEU A 1 48 ? 13.321 10.484  -3.960  1.00 28.41 ? 48  LEU A CD1 1 
ATOM   277  C CD2 . LEU A 1 48 ? 13.831 7.979   -3.927  1.00 26.58 ? 48  LEU A CD2 1 
ATOM   278  N N   . GLY A 1 49 ? 16.928 7.676   0.145   1.00 22.46 ? 49  GLY A N   1 
ATOM   279  C CA  . GLY A 1 49 ? 18.333 7.649   0.557   1.00 23.85 ? 49  GLY A CA  1 
ATOM   280  C C   . GLY A 1 49 ? 19.252 7.388   -0.636  1.00 25.41 ? 49  GLY A C   1 
ATOM   281  O O   . GLY A 1 49 ? 20.458 7.609   -0.566  1.00 26.39 ? 49  GLY A O   1 
ATOM   282  N N   . SER A 1 50 ? 18.655 6.903   -1.732  1.00 27.55 ? 50  SER A N   1 
ATOM   283  C CA  . SER A 1 50 ? 19.334 6.659   -2.990  1.00 30.42 ? 50  SER A CA  1 
ATOM   284  C C   . SER A 1 50 ? 18.310 6.527   -4.122  1.00 32.28 ? 50  SER A C   1 
ATOM   285  O O   . SER A 1 50 ? 17.145 6.245   -3.867  1.00 32.18 ? 50  SER A O   1 
ATOM   286  C CB  . SER A 1 50 ? 20.137 5.372   -2.884  1.00 33.31 ? 50  SER A CB  1 
ATOM   287  O OG  . SER A 1 50 ? 21.255 5.441   -3.752  1.00 38.83 ? 50  SER A OG  1 
ATOM   288  N N   . PRO A 1 51 ? 18.693 6.713   -5.411  1.00 32.70 ? 51  PRO A N   1 
ATOM   289  C CA  . PRO A 1 51 ? 17.751 6.497   -6.507  1.00 32.61 ? 51  PRO A CA  1 
ATOM   290  C C   . PRO A 1 51 ? 17.397 5.010   -6.668  1.00 33.67 ? 51  PRO A C   1 
ATOM   291  O O   . PRO A 1 51 ? 18.097 4.104   -6.195  1.00 30.70 ? 51  PRO A O   1 
ATOM   292  C CB  . PRO A 1 51 ? 18.519 7.068   -7.718  1.00 35.35 ? 51  PRO A CB  1 
ATOM   293  C CG  . PRO A 1 51 ? 19.592 7.991   -7.118  1.00 34.89 ? 51  PRO A CG  1 
ATOM   294  C CD  . PRO A 1 51 ? 19.995 7.239   -5.859  1.00 34.44 ? 51  PRO A CD  1 
ATOM   295  N N   . LEU A 1 52 ? 16.249 4.760   -7.291  1.00 33.00 ? 52  LEU A N   1 
ATOM   296  C CA  . LEU A 1 52 ? 15.948 3.395   -7.689  1.00 33.97 ? 52  LEU A CA  1 
ATOM   297  C C   . LEU A 1 52 ? 15.390 3.427   -9.103  1.00 33.02 ? 52  LEU A C   1 
ATOM   298  O O   . LEU A 1 52 ? 15.036 4.497   -9.603  1.00 32.12 ? 52  LEU A O   1 
ATOM   299  C CB  . LEU A 1 52 ? 15.003 2.758   -6.671  1.00 35.64 ? 52  LEU A CB  1 
ATOM   300  C CG  . LEU A 1 52 ? 13.649 3.408   -6.443  1.00 38.76 ? 52  LEU A CG  1 
ATOM   301  C CD1 . LEU A 1 52 ? 12.742 3.093   -7.635  1.00 42.96 ? 52  LEU A CD1 1 
ATOM   302  C CD2 . LEU A 1 52 ? 13.032 2.809   -5.171  1.00 39.33 ? 52  LEU A CD2 1 
ATOM   303  N N   . SER A 1 53 ? 15.353 2.269   -9.759  1.00 32.55 ? 53  SER A N   1 
ATOM   304  C CA  . SER A 1 53 ? 14.760 2.254   -11.087 1.00 31.80 ? 53  SER A CA  1 
ATOM   305  C C   . SER A 1 53 ? 13.795 1.091   -11.187 1.00 30.16 ? 53  SER A C   1 
ATOM   306  O O   . SER A 1 53 ? 13.893 0.134   -10.412 1.00 30.08 ? 53  SER A O   1 
ATOM   307  C CB  . SER A 1 53 ? 15.807 2.202   -12.152 1.00 34.27 ? 53  SER A CB  1 
ATOM   308  O OG  . SER A 1 53 ? 16.325 0.898   -12.224 1.00 37.61 ? 53  SER A OG  1 
ATOM   309  N N   . LEU A 1 54 ? 12.880 1.190   -12.156 1.00 27.99 ? 54  LEU A N   1 
ATOM   310  C CA  . LEU A 1 54 ? 11.871 0.164   -12.368 1.00 27.35 ? 54  LEU A CA  1 
ATOM   311  C C   . LEU A 1 54 ? 11.956 -0.297  -13.817 1.00 26.62 ? 54  LEU A C   1 
ATOM   312  O O   . LEU A 1 54 ? 11.981 0.553   -14.695 1.00 24.90 ? 54  LEU A O   1 
ATOM   313  C CB  . LEU A 1 54 ? 10.520 0.815   -12.085 1.00 27.61 ? 54  LEU A CB  1 
ATOM   314  C CG  . LEU A 1 54 ? 9.282  -0.072  -12.076 1.00 30.57 ? 54  LEU A CG  1 
ATOM   315  C CD1 . LEU A 1 54 ? 9.387  -1.173  -11.011 1.00 31.65 ? 54  LEU A CD1 1 
ATOM   316  C CD2 . LEU A 1 54 ? 8.052  0.795   -11.832 1.00 30.19 ? 54  LEU A CD2 1 
ATOM   317  N N   . ASN A 1 55 ? 11.956 -1.622  -14.037 1.00 26.34 ? 55  ASN A N   1 
ATOM   318  C CA  . ASN A 1 55 ? 11.851 -2.207  -15.361 1.00 28.90 ? 55  ASN A CA  1 
ATOM   319  C C   . ASN A 1 55 ? 10.664 -3.149  -15.341 1.00 30.05 ? 55  ASN A C   1 
ATOM   320  O O   . ASN A 1 55 ? 10.490 -3.922  -14.395 1.00 30.03 ? 55  ASN A O   1 
ATOM   321  C CB  . ASN A 1 55 ? 13.103 -2.974  -15.756 1.00 30.23 ? 55  ASN A CB  1 
ATOM   322  C CG  . ASN A 1 55 ? 14.132 -2.057  -16.354 1.00 35.43 ? 55  ASN A CG  1 
ATOM   323  O OD1 . ASN A 1 55 ? 14.163 -1.879  -17.575 1.00 38.48 ? 55  ASN A OD1 1 
ATOM   324  N ND2 . ASN A 1 55 ? 14.913 -1.414  -15.499 1.00 36.22 ? 55  ASN A ND2 1 
ATOM   325  N N   . MET A 1 56 ? 9.830  -3.051  -16.358 1.00 30.75 ? 56  MET A N   1 
ATOM   326  C CA  . MET A 1 56 ? 8.872  -4.115  -16.600 1.00 33.12 ? 56  MET A CA  1 
ATOM   327  C C   . MET A 1 56 ? 9.583  -5.216  -17.392 1.00 32.78 ? 56  MET A C   1 
ATOM   328  O O   . MET A 1 56 ? 10.333 -4.910  -18.312 1.00 32.20 ? 56  MET A O   1 
ATOM   329  C CB  . MET A 1 56 ? 7.714  -3.512  -17.391 1.00 37.11 ? 56  MET A CB  1 
ATOM   330  C CG  . MET A 1 56 ? 6.581  -4.457  -17.667 1.00 43.26 ? 56  MET A CG  1 
ATOM   331  S SD  . MET A 1 56 ? 5.564  -4.576  -16.187 1.00 60.24 ? 56  MET A SD  1 
ATOM   332  C CE  . MET A 1 56 ? 5.433  -2.836  -15.740 1.00 49.72 ? 56  MET A CE  1 
ATOM   333  N N   . ALA A 1 57 ? 9.331  -6.497  -17.058 1.00 31.59 ? 57  ALA A N   1 
ATOM   334  C CA  . ALA A 1 57 ? 9.939  -7.645  -17.739 1.00 31.86 ? 57  ALA A CA  1 
ATOM   335  C C   . ALA A 1 57 ? 8.883  -8.667  -18.145 1.00 31.06 ? 57  ALA A C   1 
ATOM   336  O O   . ALA A 1 57 ? 7.873  -8.830  -17.487 1.00 30.39 ? 57  ALA A O   1 
ATOM   337  C CB  . ALA A 1 57 ? 10.965 -8.355  -16.881 1.00 30.82 ? 57  ALA A CB  1 
ATOM   338  N N   . ARG A 1 58 ? 9.146  -9.407  -19.222 1.00 34.04 ? 58  ARG A N   1 
ATOM   339  C CA  . ARG A 1 58 ? 8.243  -10.478 -19.610 1.00 34.01 ? 58  ARG A CA  1 
ATOM   340  C C   . ARG A 1 58 ? 9.087  -11.547 -20.298 1.00 33.85 ? 58  ARG A C   1 
ATOM   341  O O   . ARG A 1 58 ? 9.962  -11.196 -21.097 1.00 31.31 ? 58  ARG A O   1 
ATOM   342  C CB  . ARG A 1 58 ? 7.160  -9.917  -20.541 1.00 38.83 ? 58  ARG A CB  1 
ATOM   343  C CG  . ARG A 1 58 ? 6.473  -10.950 -21.424 1.00 43.86 ? 58  ARG A CG  1 
ATOM   344  C CD  . ARG A 1 58 ? 5.811  -10.389 -22.665 1.00 49.68 ? 58  ARG A CD  1 
ATOM   345  N NE  . ARG A 1 58 ? 5.112  -9.157  -22.354 1.00 57.06 ? 58  ARG A NE  1 
ATOM   346  C CZ  . ARG A 1 58 ? 3.965  -8.770  -22.901 1.00 61.12 ? 58  ARG A CZ  1 
ATOM   347  N NH1 . ARG A 1 58 ? 3.359  -9.537  -23.796 1.00 62.16 ? 58  ARG A NH1 1 
ATOM   348  N NH2 . ARG A 1 58 ? 3.422  -7.623  -22.529 1.00 63.32 ? 58  ARG A NH2 1 
ATOM   349  N N   . LYS A 1 59 ? 8.826  -12.817 -19.922 1.00 33.59 ? 59  LYS A N   1 
ATOM   350  C CA  . LYS A 1 59 ? 9.302  -13.990 -20.645 1.00 35.37 ? 59  LYS A CA  1 
ATOM   351  C C   . LYS A 1 59 ? 8.512  -14.060 -21.960 1.00 34.92 ? 59  LYS A C   1 
ATOM   352  O O   . LYS A 1 59 ? 7.280  -14.131 -21.969 1.00 38.49 ? 59  LYS A O   1 
ATOM   353  C CB  . LYS A 1 59 ? 9.192  -15.196 -19.691 1.00 34.96 ? 59  LYS A CB  1 
ATOM   354  C CG  . LYS A 1 59 ? 9.794  -16.527 -20.136 1.00 39.43 ? 59  LYS A CG  1 
ATOM   355  C CD  . LYS A 1 59 ? 10.447 -17.344 -18.988 1.00 39.71 ? 59  LYS A CD  1 
ATOM   356  C CE  . LYS A 1 59 ? 9.850  -17.253 -17.590 1.00 43.15 ? 59  LYS A CE  1 
ATOM   357  N NZ  . LYS A 1 59 ? 10.485 -18.201 -16.613 1.00 44.05 ? 59  LYS A NZ  1 
ATOM   358  N N   . THR A 1 60 ? 9.206  -13.885 -23.079 1.00 33.58 ? 60  THR A N   1 
ATOM   359  C CA  . THR A 1 60 ? 8.568  -13.827 -24.395 1.00 32.42 ? 60  THR A CA  1 
ATOM   360  C C   . THR A 1 60 ? 8.537  -15.188 -25.084 1.00 32.65 ? 60  THR A C   1 
ATOM   361  O O   . THR A 1 60 ? 7.713  -15.396 -25.987 1.00 32.65 ? 60  THR A O   1 
ATOM   362  C CB  . THR A 1 60 ? 9.323  -12.879 -25.339 1.00 33.26 ? 60  THR A CB  1 
ATOM   363  O OG1 . THR A 1 60 ? 10.683 -13.308 -25.335 1.00 31.67 ? 60  THR A OG1 1 
ATOM   364  C CG2 . THR A 1 60 ? 9.209  -11.425 -24.915 1.00 33.56 ? 60  THR A CG2 1 
ATOM   365  N N   . LEU A 1 61 ? 9.464  -16.083 -24.695 1.00 31.82 ? 61  LEU A N   1 
ATOM   366  C CA  . LEU A 1 61 ? 9.474  -17.438 -25.226 1.00 35.48 ? 61  LEU A CA  1 
ATOM   367  C C   . LEU A 1 61 ? 9.556  -18.377 -24.025 1.00 39.06 ? 61  LEU A C   1 
ATOM   368  O O   . LEU A 1 61 ? 10.408 -18.183 -23.162 1.00 40.34 ? 61  LEU A O   1 
ATOM   369  C CB  . LEU A 1 61 ? 10.654 -17.648 -26.190 1.00 34.61 ? 61  LEU A CB  1 
ATOM   370  C CG  . LEU A 1 61 ? 10.721 -16.719 -27.409 1.00 36.06 ? 61  LEU A CG  1 
ATOM   371  C CD1 . LEU A 1 61 ? 11.996 -16.982 -28.210 1.00 36.70 ? 61  LEU A CD1 1 
ATOM   372  C CD2 . LEU A 1 61 ? 9.509  -16.924 -28.324 1.00 33.47 ? 61  LEU A CD2 1 
ATOM   373  N N   . ASN A 1 62 ? 8.591  -19.302 -23.961 1.00 43.33 ? 62  ASN A N   1 
ATOM   374  C CA  . ASN A 1 62 ? 8.473  -20.312 -22.924 1.00 46.27 ? 62  ASN A CA  1 
ATOM   375  C C   . ASN A 1 62 ? 8.985  -21.598 -23.547 1.00 48.48 ? 62  ASN A C   1 
ATOM   376  O O   . ASN A 1 62 ? 8.263  -22.290 -24.264 1.00 51.39 ? 62  ASN A O   1 
ATOM   377  C CB  . ASN A 1 62 ? 7.028  -20.523 -22.462 1.00 47.68 ? 62  ASN A CB  1 
ATOM   378  N N   . SER A 1 63 ? 10.258 -21.856 -23.275 1.00 47.37 ? 63  SER A N   1 
ATOM   379  C CA  . SER A 1 63 ? 11.115 -22.722 -24.053 1.00 47.02 ? 63  SER A CA  1 
ATOM   380  C C   . SER A 1 63 ? 12.346 -22.971 -23.201 1.00 49.32 ? 63  SER A C   1 
ATOM   381  O O   . SER A 1 63 ? 13.070 -22.024 -22.880 1.00 50.31 ? 63  SER A O   1 
ATOM   382  C CB  . SER A 1 63 ? 11.545 -22.056 -25.320 1.00 47.96 ? 63  SER A CB  1 
ATOM   383  O OG  . SER A 1 63 ? 12.620 -22.790 -25.904 1.00 46.85 ? 63  SER A OG  1 
ATOM   384  N N   . LEU A 1 64 ? 12.562 -24.235 -22.839 1.00 46.11 ? 64  LEU A N   1 
ATOM   385  C CA  . LEU A 1 64 ? 13.677 -24.567 -21.973 1.00 45.83 ? 64  LEU A CA  1 
ATOM   386  C C   . LEU A 1 64 ? 14.983 -24.272 -22.705 1.00 45.90 ? 64  LEU A C   1 
ATOM   387  O O   . LEU A 1 64 ? 15.943 -23.837 -22.089 1.00 48.99 ? 64  LEU A O   1 
ATOM   388  C CB  . LEU A 1 64 ? 13.570 -26.040 -21.563 1.00 47.94 ? 64  LEU A CB  1 
ATOM   389  N N   . GLU A 1 65 ? 15.017 -24.480 -24.023 1.00 42.92 ? 65  GLU A N   1 
ATOM   390  C CA  . GLU A 1 65 ? 16.297 -24.456 -24.709 1.00 42.51 ? 65  GLU A CA  1 
ATOM   391  C C   . GLU A 1 65 ? 16.598 -23.077 -25.293 1.00 40.26 ? 65  GLU A C   1 
ATOM   392  O O   . GLU A 1 65 ? 17.729 -22.824 -25.673 1.00 41.03 ? 65  GLU A O   1 
ATOM   393  C CB  . GLU A 1 65 ? 16.389 -25.550 -25.779 1.00 45.37 ? 65  GLU A CB  1 
ATOM   394  N N   . ASP A 1 66 ? 15.597 -22.198 -25.402 1.00 37.95 ? 66  ASP A N   1 
ATOM   395  C CA  . ASP A 1 66 ? 15.811 -20.896 -26.021 1.00 37.45 ? 66  ASP A CA  1 
ATOM   396  C C   . ASP A 1 66 ? 14.900 -19.891 -25.324 1.00 39.13 ? 66  ASP A C   1 
ATOM   397  O O   . ASP A 1 66 ? 13.892 -19.485 -25.898 1.00 42.71 ? 66  ASP A O   1 
ATOM   398  C CB  . ASP A 1 66 ? 15.567 -20.946 -27.538 1.00 36.20 ? 66  ASP A CB  1 
ATOM   399  C CG  . ASP A 1 66 ? 16.064 -19.733 -28.316 1.00 35.51 ? 66  ASP A CG  1 
ATOM   400  O OD1 . ASP A 1 66 ? 16.850 -18.973 -27.739 1.00 36.87 ? 66  ASP A OD1 1 
ATOM   401  O OD2 . ASP A 1 66 ? 15.635 -19.518 -29.494 1.00 33.66 ? 66  ASP A OD2 1 
ATOM   402  N N   . LYS A 1 67 ? 15.267 -19.510 -24.099 1.00 38.61 ? 67  LYS A N   1 
ATOM   403  C CA  . LYS A 1 67 ? 14.435 -18.691 -23.226 1.00 39.32 ? 67  LYS A CA  1 
ATOM   404  C C   . LYS A 1 67 ? 14.806 -17.230 -23.464 1.00 36.90 ? 67  LYS A C   1 
ATOM   405  O O   . LYS A 1 67 ? 15.990 -16.905 -23.622 1.00 35.69 ? 67  LYS A O   1 
ATOM   406  C CB  . LYS A 1 67 ? 14.584 -19.164 -21.773 1.00 42.68 ? 67  LYS A CB  1 
ATOM   407  C CG  . LYS A 1 67 ? 13.452 -18.749 -20.837 1.00 50.27 ? 67  LYS A CG  1 
ATOM   408  C CD  . LYS A 1 67 ? 13.280 -19.607 -19.583 1.00 51.31 ? 67  LYS A CD  1 
ATOM   409  C CE  . LYS A 1 67 ? 12.399 -20.831 -19.741 1.00 54.91 ? 67  LYS A CE  1 
ATOM   410  N NZ  . LYS A 1 67 ? 10.945 -20.529 -19.634 1.00 57.61 ? 67  LYS A NZ  1 
ATOM   411  N N   . ALA A 1 68 ? 13.778 -16.374 -23.568 1.00 33.64 ? 68  ALA A N   1 
ATOM   412  C CA  . ALA A 1 68 ? 14.039 -14.985 -23.881 1.00 31.23 ? 68  ALA A CA  1 
ATOM   413  C C   . ALA A 1 68 ? 13.164 -14.084 -23.019 1.00 29.71 ? 68  ALA A C   1 
ATOM   414  O O   . ALA A 1 68 ? 11.987 -14.370 -22.792 1.00 29.82 ? 68  ALA A O   1 
ATOM   415  C CB  . ALA A 1 68 ? 13.847 -14.741 -25.375 1.00 31.62 ? 68  ALA A CB  1 
ATOM   416  N N   . PHE A 1 69 ? 13.760 -12.974 -22.568 1.00 31.18 ? 69  PHE A N   1 
ATOM   417  C CA  . PHE A 1 69 ? 13.060 -11.999 -21.743 1.00 31.20 ? 69  PHE A CA  1 
ATOM   418  C C   . PHE A 1 69 ? 13.201 -10.631 -22.397 1.00 29.40 ? 69  PHE A C   1 
ATOM   419  O O   . PHE A 1 69 ? 14.220 -10.344 -22.994 1.00 29.61 ? 69  PHE A O   1 
ATOM   420  C CB  . PHE A 1 69 ? 13.700 -11.875 -20.356 1.00 32.44 ? 69  PHE A CB  1 
ATOM   421  C CG  . PHE A 1 69 ? 13.534 -13.102 -19.512 1.00 34.32 ? 69  PHE A CG  1 
ATOM   422  C CD1 . PHE A 1 69 ? 12.442 -13.243 -18.662 1.00 35.63 ? 69  PHE A CD1 1 
ATOM   423  C CD2 . PHE A 1 69 ? 14.457 -14.133 -19.610 1.00 35.92 ? 69  PHE A CD2 1 
ATOM   424  C CE1 . PHE A 1 69 ? 12.274 -14.408 -17.915 1.00 38.09 ? 69  PHE A CE1 1 
ATOM   425  C CE2 . PHE A 1 69 ? 14.298 -15.285 -18.854 1.00 37.87 ? 69  PHE A CE2 1 
ATOM   426  C CZ  . PHE A 1 69 ? 13.204 -15.426 -18.019 1.00 38.20 ? 69  PHE A CZ  1 
ATOM   427  N N   . GLN A 1 70 ? 12.153 -9.822  -22.328 1.00 29.31 ? 70  GLN A N   1 
ATOM   428  C CA  . GLN A 1 70 ? 12.322 -8.431  -22.735 1.00 31.17 ? 70  GLN A CA  1 
ATOM   429  C C   . GLN A 1 70 ? 11.988 -7.519  -21.561 1.00 29.74 ? 70  GLN A C   1 
ATOM   430  O O   . GLN A 1 70 ? 11.117 -7.864  -20.765 1.00 29.77 ? 70  GLN A O   1 
ATOM   431  C CB  . GLN A 1 70 ? 11.571 -8.073  -24.023 1.00 34.77 ? 70  GLN A CB  1 
ATOM   432  C CG  . GLN A 1 70 ? 10.053 -8.105  -23.944 1.00 35.98 ? 70  GLN A CG  1 
ATOM   433  C CD  . GLN A 1 70 ? 9.471  -7.307  -25.090 1.00 36.63 ? 70  GLN A CD  1 
ATOM   434  O OE1 . GLN A 1 70 ? 8.735  -6.346  -24.908 1.00 38.92 ? 70  GLN A OE1 1 
ATOM   435  N NE2 . GLN A 1 70 ? 9.788  -7.697  -26.308 1.00 34.35 ? 70  GLN A NE2 1 
ATOM   436  N N   . LEU A 1 71 ? 12.728 -6.409  -21.465 1.00 29.40 ? 71  LEU A N   1 
ATOM   437  C CA  . LEU A 1 71 ? 12.621 -5.457  -20.374 1.00 30.71 ? 71  LEU A CA  1 
ATOM   438  C C   . LEU A 1 71 ? 12.390 -4.062  -20.963 1.00 30.22 ? 71  LEU A C   1 
ATOM   439  O O   . LEU A 1 71 ? 12.955 -3.742  -22.013 1.00 29.88 ? 71  LEU A O   1 
ATOM   440  C CB  . LEU A 1 71 ? 13.897 -5.488  -19.520 1.00 31.30 ? 71  LEU A CB  1 
ATOM   441  C CG  . LEU A 1 71 ? 14.171 -6.821  -18.818 1.00 33.85 ? 71  LEU A CG  1 
ATOM   442  C CD1 . LEU A 1 71 ? 15.407 -7.474  -19.411 1.00 34.71 ? 71  LEU A CD1 1 
ATOM   443  C CD2 . LEU A 1 71 ? 14.357 -6.611  -17.329 1.00 33.84 ? 71  LEU A CD2 1 
ATOM   444  N N   . THR A 1 72 ? 11.540 -3.277  -20.285 1.00 29.92 ? 72  THR A N   1 
ATOM   445  C CA  . THR A 1 72 ? 11.363 -1.859  -20.589 1.00 33.00 ? 72  THR A CA  1 
ATOM   446  C C   . THR A 1 72 ? 11.444 -1.027  -19.302 1.00 33.43 ? 72  THR A C   1 
ATOM   447  O O   . THR A 1 72 ? 10.675 -1.282  -18.381 1.00 30.03 ? 72  THR A O   1 
ATOM   448  C CB  . THR A 1 72 ? 10.024 -1.572  -21.279 1.00 33.26 ? 72  THR A CB  1 
ATOM   449  O OG1 . THR A 1 72 ? 9.998  -2.428  -22.419 1.00 36.65 ? 72  THR A OG1 1 
ATOM   450  C CG2 . THR A 1 72 ? 9.896  -0.126  -21.724 1.00 34.63 ? 72  THR A CG2 1 
ATOM   451  N N   . PRO A 1 73 ? 12.395 -0.061  -19.201 1.00 36.39 ? 73  PRO A N   1 
ATOM   452  C CA  . PRO A 1 73 ? 12.455 0.856   -18.064 1.00 37.90 ? 73  PRO A CA  1 
ATOM   453  C C   . PRO A 1 73 ? 11.130 1.606   -18.007 1.00 39.39 ? 73  PRO A C   1 
ATOM   454  O O   . PRO A 1 73 ? 10.525 1.869   -19.035 1.00 40.32 ? 73  PRO A O   1 
ATOM   455  C CB  . PRO A 1 73 ? 13.651 1.777   -18.330 1.00 38.24 ? 73  PRO A CB  1 
ATOM   456  C CG  . PRO A 1 73 ? 13.993 1.580   -19.805 1.00 40.37 ? 73  PRO A CG  1 
ATOM   457  C CD  . PRO A 1 73 ? 13.468 0.206   -20.182 1.00 38.21 ? 73  PRO A CD  1 
ATOM   458  N N   . ILE A 1 74 ? 10.648 1.872   -16.794 1.00 37.63 ? 74  ILE A N   1 
ATOM   459  C CA  . ILE A 1 74 ? 9.450  2.665   -16.589 1.00 38.88 ? 74  ILE A CA  1 
ATOM   460  C C   . ILE A 1 74 ? 9.843  3.891   -15.764 1.00 39.23 ? 74  ILE A C   1 
ATOM   461  O O   . ILE A 1 74 ? 10.414 3.750   -14.679 1.00 35.94 ? 74  ILE A O   1 
ATOM   462  C CB  . ILE A 1 74 ? 8.382  1.839   -15.852 1.00 38.15 ? 74  ILE A CB  1 
ATOM   463  C CG1 . ILE A 1 74 ? 7.926  0.612   -16.653 1.00 40.01 ? 74  ILE A CG1 1 
ATOM   464  C CG2 . ILE A 1 74 ? 7.226  2.735   -15.390 1.00 39.44 ? 74  ILE A CG2 1 
ATOM   465  C CD1 . ILE A 1 74 ? 7.316  0.953   -17.982 1.00 39.77 ? 74  ILE A CD1 1 
ATOM   466  N N   . ALA A 1 75 ? 9.543  5.077   -16.298 1.00 38.97 ? 75  ALA A N   1 
ATOM   467  C CA  . ALA A 1 75 ? 9.743  6.338   -15.595 1.00 40.83 ? 75  ALA A CA  1 
ATOM   468  C C   . ALA A 1 75 ? 8.636  6.484   -14.563 1.00 39.56 ? 75  ALA A C   1 
ATOM   469  O O   . ALA A 1 75 ? 7.459  6.466   -14.919 1.00 44.11 ? 75  ALA A O   1 
ATOM   470  C CB  . ALA A 1 75 ? 9.760  7.512   -16.561 1.00 42.34 ? 75  ALA A CB  1 
ATOM   471  N N   . VAL A 1 76 ? 9.048  6.602   -13.294 1.00 36.74 ? 76  VAL A N   1 
ATOM   472  C CA  . VAL A 1 76 ? 8.196  6.628   -12.121 1.00 33.81 ? 76  VAL A CA  1 
ATOM   473  C C   . VAL A 1 76 ? 7.991  8.109   -11.731 1.00 31.81 ? 76  VAL A C   1 
ATOM   474  O O   . VAL A 1 76 ? 8.946  8.782   -11.337 1.00 28.03 ? 76  VAL A O   1 
ATOM   475  C CB  . VAL A 1 76 ? 8.897  5.793   -11.028 1.00 36.29 ? 76  VAL A CB  1 
ATOM   476  C CG1 . VAL A 1 76 ? 10.371 6.169   -10.887 1.00 39.32 ? 76  VAL A CG1 1 
ATOM   477  C CG2 . VAL A 1 76 ? 8.203  5.864   -9.675  1.00 38.41 ? 76  VAL A CG2 1 
ATOM   478  N N   . GLN A 1 77 ? 6.787  8.649   -11.948 1.00 28.23 ? 77  GLN A N   1 
ATOM   479  C CA  . GLN A 1 77 ? 6.572  10.042  -11.571 1.00 26.72 ? 77  GLN A CA  1 
ATOM   480  C C   . GLN A 1 77 ? 6.352  10.073  -10.054 1.00 24.50 ? 77  GLN A C   1 
ATOM   481  O O   . GLN A 1 77 ? 5.815  9.142   -9.473  1.00 24.05 ? 77  GLN A O   1 
ATOM   482  C CB  . GLN A 1 77 ? 5.385  10.652  -12.287 1.00 26.40 ? 77  GLN A CB  1 
ATOM   483  N N   . MET A 1 78 ? 6.850  11.111  -9.434  1.00 24.20 ? 78  MET A N   1 
ATOM   484  C CA  . MET A 1 78 ? 6.839  11.200  -7.991  1.00 24.56 ? 78  MET A CA  1 
ATOM   485  C C   . MET A 1 78 ? 6.296  12.568  -7.651  1.00 23.82 ? 78  MET A C   1 
ATOM   486  O O   . MET A 1 78 ? 6.487  13.454  -8.450  1.00 23.52 ? 78  MET A O   1 
ATOM   487  C CB  . MET A 1 78 ? 8.271  11.172  -7.485  1.00 25.16 ? 78  MET A CB  1 
ATOM   488  C CG  . MET A 1 78 ? 8.807  9.796   -7.537  1.00 27.51 ? 78  MET A CG  1 
ATOM   489  S SD  . MET A 1 78 ? 10.371 9.691   -6.731  1.00 28.81 ? 78  MET A SD  1 
ATOM   490  C CE  . MET A 1 78 ? 11.336 10.835  -7.721  1.00 30.93 ? 78  MET A CE  1 
ATOM   491  N N   . THR A 1 79 ? 5.709  12.734  -6.469  1.00 21.06 ? 79  THR A N   1 
ATOM   492  C CA  . THR A 1 79 ? 5.177  14.038  -6.097  1.00 20.06 ? 79  THR A CA  1 
ATOM   493  C C   . THR A 1 79 ? 5.814  14.461  -4.782  1.00 18.92 ? 79  THR A C   1 
ATOM   494  O O   . THR A 1 79 ? 5.834  13.672  -3.850  1.00 17.22 ? 79  THR A O   1 
ATOM   495  C CB  . THR A 1 79 ? 3.641  13.943  -5.983  1.00 21.29 ? 79  THR A CB  1 
ATOM   496  O OG1 . THR A 1 79 ? 3.167  13.673  -7.305  1.00 23.67 ? 79  THR A OG1 1 
ATOM   497  C CG2 . THR A 1 79 ? 2.984  15.193  -5.446  1.00 20.96 ? 79  THR A CG2 1 
ATOM   498  N N   . LYS A 1 80 ? 6.235  15.730  -4.662  1.00 19.16 ? 80  LYS A N   1 
ATOM   499  C CA  . LYS A 1 80 ? 6.598  16.297  -3.373  1.00 19.94 ? 80  LYS A CA  1 
ATOM   500  C C   . LYS A 1 80 ? 5.318  16.756  -2.683  1.00 20.54 ? 80  LYS A C   1 
ATOM   501  O O   . LYS A 1 80 ? 4.475  17.437  -3.300  1.00 22.94 ? 80  LYS A O   1 
ATOM   502  C CB  . LYS A 1 80 ? 7.545  17.485  -3.633  1.00 22.27 ? 80  LYS A CB  1 
ATOM   503  C CG  . LYS A 1 80 ? 7.911  18.388  -2.465  1.00 23.78 ? 80  LYS A CG  1 
ATOM   504  C CD  . LYS A 1 80 ? 8.553  19.754  -2.921  1.00 27.85 ? 80  LYS A CD  1 
ATOM   505  C CE  . LYS A 1 80 ? 9.976  19.587  -3.364  1.00 30.32 ? 80  LYS A CE  1 
ATOM   506  N NZ  . LYS A 1 80 ? 10.660 20.870  -3.763  1.00 33.13 ? 80  LYS A NZ  1 
ATOM   507  N N   . LEU A 1 81 ? 5.194  16.473  -1.384  1.00 18.62 ? 81  LEU A N   1 
ATOM   508  C CA  . LEU A 1 81 ? 4.013  16.813  -0.598  1.00 19.43 ? 81  LEU A CA  1 
ATOM   509  C C   . LEU A 1 81 ? 4.260  18.162  0.068   1.00 19.60 ? 81  LEU A C   1 
ATOM   510  O O   . LEU A 1 81 ? 5.394  18.479  0.472   1.00 19.53 ? 81  LEU A O   1 
ATOM   511  C CB  . LEU A 1 81 ? 3.772  15.736  0.497   1.00 19.15 ? 81  LEU A CB  1 
ATOM   512  C CG  . LEU A 1 81 ? 3.657  14.303  -0.063  1.00 18.77 ? 81  LEU A CG  1 
ATOM   513  C CD1 . LEU A 1 81 ? 3.130  13.384  1.044   1.00 18.49 ? 81  LEU A CD1 1 
ATOM   514  C CD2 . LEU A 1 81 ? 2.677  14.253  -1.227  1.00 18.70 ? 81  LEU A CD2 1 
ATOM   515  N N   . ALA A 1 82 ? 3.188  18.949  0.161   1.00 19.04 ? 82  ALA A N   1 
ATOM   516  C CA  . ALA A 1 82 ? 3.301  20.289  0.743   1.00 19.43 ? 82  ALA A CA  1 
ATOM   517  C C   . ALA A 1 82 ? 3.018  20.223  2.239   1.00 19.19 ? 82  ALA A C   1 
ATOM   518  O O   . ALA A 1 82 ? 3.580  21.007  3.010   1.00 18.88 ? 82  ALA A O   1 
ATOM   519  C CB  . ALA A 1 82 ? 2.297  21.228  0.080   1.00 20.25 ? 82  ALA A CB  1 
ATOM   520  N N   . THR A 1 83 ? 2.074  19.374  2.656   1.00 18.61 ? 83  THR A N   1 
ATOM   521  C CA  . THR A 1 83 ? 1.726  19.267  4.076   1.00 19.10 ? 83  THR A CA  1 
ATOM   522  C C   . THR A 1 83 ? 1.401  17.793  4.382   1.00 18.78 ? 83  THR A C   1 
ATOM   523  O O   . THR A 1 83 ? 1.156  17.009  3.474   1.00 18.11 ? 83  THR A O   1 
ATOM   524  C CB  . THR A 1 83 ? 0.471  20.082  4.482   1.00 20.26 ? 83  THR A CB  1 
ATOM   525  O OG1 . THR A 1 83 ? -0.822 19.606  4.108   1.00 21.64 ? 83  THR A OG1 1 
ATOM   526  C CG2 . THR A 1 83 ? 0.501  21.554  4.081   1.00 21.02 ? 83  THR A CG2 1 
ATOM   527  N N   . THR A 1 84 ? 1.362  17.436  5.658   1.00 18.64 ? 84  THR A N   1 
ATOM   528  C CA  . THR A 1 84 ? 0.944  16.101  6.073   1.00 20.53 ? 84  THR A CA  1 
ATOM   529  C C   . THR A 1 84 ? -0.524 15.806  5.775   1.00 20.16 ? 84  THR A C   1 
ATOM   530  O O   . THR A 1 84 ? -0.904 14.644  5.765   1.00 19.86 ? 84  THR A O   1 
ATOM   531  C CB  . THR A 1 84 ? 1.218  15.867  7.571   1.00 20.96 ? 84  THR A CB  1 
ATOM   532  O OG1 . THR A 1 84 ? 0.360  16.741  8.302   1.00 22.43 ? 84  THR A OG1 1 
ATOM   533  C CG2 . THR A 1 84 ? 2.657  16.158  7.916   1.00 20.44 ? 84  THR A CG2 1 
ATOM   534  N N   . GLU A 1 85 ? -1.325 16.814  5.401   1.00 20.34 ? 85  GLU A N   1 
ATOM   535  C CA  . GLU A 1 85 ? -2.666 16.477  4.945   1.00 21.71 ? 85  GLU A CA  1 
ATOM   536  C C   . GLU A 1 85 ? -2.634 15.582  3.704   1.00 20.91 ? 85  GLU A C   1 
ATOM   537  O O   . GLU A 1 85 ? -3.649 14.945  3.376   1.00 21.06 ? 85  GLU A O   1 
ATOM   538  C CB  . GLU A 1 85 ? -3.451 17.756  4.603   1.00 24.36 ? 85  GLU A CB  1 
ATOM   539  C CG  . GLU A 1 85 ? -3.646 18.638  5.811   1.00 26.41 ? 85  GLU A CG  1 
ATOM   540  C CD  . GLU A 1 85 ? -4.518 18.010  6.869   1.00 30.62 ? 85  GLU A CD  1 
ATOM   541  O OE1 . GLU A 1 85 ? -5.438 17.254  6.515   1.00 30.88 ? 85  GLU A OE1 1 
ATOM   542  O OE2 . GLU A 1 85 ? -4.249 18.265  8.056   1.00 35.69 ? 85  GLU A OE2 1 
ATOM   543  N N   . GLU A 1 86 ? -1.492 15.547  2.987   1.00 19.91 ? 86  GLU A N   1 
ATOM   544  C CA  . GLU A 1 86 ? -1.447 14.793  1.729   1.00 20.24 ? 86  GLU A CA  1 
ATOM   545  C C   . GLU A 1 86 ? -1.045 13.353  1.988   1.00 20.02 ? 86  GLU A C   1 
ATOM   546  O O   . GLU A 1 86 ? -1.014 12.543  1.062   1.00 20.29 ? 86  GLU A O   1 
ATOM   547  C CB  . GLU A 1 86 ? -0.420 15.425  0.782   1.00 20.58 ? 86  GLU A CB  1 
ATOM   548  C CG  . GLU A 1 86 ? -0.981 16.744  0.228   1.00 21.95 ? 86  GLU A CG  1 
ATOM   549  C CD  . GLU A 1 86 ? 0.037  17.501  -0.582  1.00 21.68 ? 86  GLU A CD  1 
ATOM   550  O OE1 . GLU A 1 86 ? 0.475  17.000  -1.630  1.00 22.20 ? 86  GLU A OE1 1 
ATOM   551  O OE2 . GLU A 1 86 ? 0.431  18.555  -0.090  1.00 21.82 ? 86  GLU A OE2 1 
ATOM   552  N N   . LEU A 1 87 ? -0.716 13.042  3.242   1.00 19.33 ? 87  LEU A N   1 
ATOM   553  C CA  . LEU A 1 87 ? -0.388 11.644  3.515   1.00 20.80 ? 87  LEU A CA  1 
ATOM   554  C C   . LEU A 1 87 ? -1.688 10.899  3.675   1.00 21.95 ? 87  LEU A C   1 
ATOM   555  O O   . LEU A 1 87 ? -2.505 11.337  4.492   1.00 22.28 ? 87  LEU A O   1 
ATOM   556  C CB  . LEU A 1 87 ? 0.434  11.522  4.801   1.00 20.95 ? 87  LEU A CB  1 
ATOM   557  C CG  . LEU A 1 87 ? 1.883  11.978  4.673   1.00 21.05 ? 87  LEU A CG  1 
ATOM   558  C CD1 . LEU A 1 87 ? 2.506  12.117  6.056   1.00 22.09 ? 87  LEU A CD1 1 
ATOM   559  C CD2 . LEU A 1 87 ? 2.672  11.019  3.778   1.00 22.54 ? 87  LEU A CD2 1 
ATOM   560  N N   . PRO A 1 88 ? -1.880 9.763   2.964   1.00 22.82 ? 88  PRO A N   1 
ATOM   561  C CA  . PRO A 1 88 ? -3.127 9.019   3.099   1.00 24.36 ? 88  PRO A CA  1 
ATOM   562  C C   . PRO A 1 88 ? -3.281 8.440   4.505   1.00 25.45 ? 88  PRO A C   1 
ATOM   563  O O   . PRO A 1 88 ? -2.343 8.460   5.309   1.00 27.11 ? 88  PRO A O   1 
ATOM   564  C CB  . PRO A 1 88 ? -2.874 7.822   2.172   1.00 23.99 ? 88  PRO A CB  1 
ATOM   565  C CG  . PRO A 1 88 ? -1.822 8.250   1.225   1.00 24.92 ? 88  PRO A CG  1 
ATOM   566  C CD  . PRO A 1 88 ? -0.910 9.124   2.057   1.00 23.72 ? 88  PRO A CD  1 
ATOM   567  N N   . ASP A 1 89 ? -4.413 7.754   4.747   1.00 26.21 ? 89  ASP A N   1 
ATOM   568  C CA  . ASP A 1 89 ? -4.685 7.144   6.039   1.00 27.77 ? 89  ASP A CA  1 
ATOM   569  C C   . ASP A 1 89 ? -3.867 5.865   6.223   1.00 26.68 ? 89  ASP A C   1 
ATOM   570  O O   . ASP A 1 89 ? -3.507 5.527   7.338   1.00 25.01 ? 89  ASP A O   1 
ATOM   571  C CB  . ASP A 1 89 ? -6.163 6.777   6.159   1.00 30.29 ? 89  ASP A CB  1 
ATOM   572  C CG  . ASP A 1 89 ? -7.054 7.974   6.499   1.00 32.39 ? 89  ASP A CG  1 
ATOM   573  O OD1 . ASP A 1 89 ? -6.537 9.093   6.772   1.00 33.28 ? 89  ASP A OD1 1 
ATOM   574  O OD2 . ASP A 1 89 ? -8.264 7.774   6.507   1.00 36.70 ? 89  ASP A OD2 1 
ATOM   575  N N   . GLU A 1 90 ? -3.657 5.136   5.130   1.00 26.03 ? 90  GLU A N   1 
ATOM   576  C CA  . GLU A 1 90 ? -2.808 3.954   5.116   1.00 26.95 ? 90  GLU A CA  1 
ATOM   577  C C   . GLU A 1 90 ? -1.949 4.006   3.864   1.00 24.79 ? 90  GLU A C   1 
ATOM   578  O O   . GLU A 1 90 ? -2.418 4.434   2.784   1.00 23.68 ? 90  GLU A O   1 
ATOM   579  C CB  . GLU A 1 90 ? -3.569 2.623   4.999   1.00 29.77 ? 90  GLU A CB  1 
ATOM   580  C CG  . GLU A 1 90 ? -4.594 2.387   6.097   1.00 34.34 ? 90  GLU A CG  1 
ATOM   581  C CD  . GLU A 1 90 ? -5.453 1.173   5.745   1.00 39.46 ? 90  GLU A CD  1 
ATOM   582  O OE1 . GLU A 1 90 ? -4.895 0.067   5.585   1.00 41.35 ? 90  GLU A OE1 1 
ATOM   583  O OE2 . GLU A 1 90 ? -6.673 1.349   5.556   1.00 44.19 ? 90  GLU A OE2 1 
ATOM   584  N N   . PHE A 1 91 ? -0.681 3.619   4.036   1.00 22.40 ? 91  PHE A N   1 
ATOM   585  C CA  . PHE A 1 91 ? 0.251  3.634   2.910   1.00 20.77 ? 91  PHE A CA  1 
ATOM   586  C C   . PHE A 1 91 ? 1.447  2.795   3.350   1.00 20.53 ? 91  PHE A C   1 
ATOM   587  O O   . PHE A 1 91 ? 1.517  2.398   4.515   1.00 21.67 ? 91  PHE A O   1 
ATOM   588  C CB  . PHE A 1 91 ? 0.630  5.079   2.511   1.00 19.56 ? 91  PHE A CB  1 
ATOM   589  C CG  . PHE A 1 91 ? 1.153  5.940   3.644   1.00 19.01 ? 91  PHE A CG  1 
ATOM   590  C CD1 . PHE A 1 91 ? 2.518  6.110   3.881   1.00 18.24 ? 91  PHE A CD1 1 
ATOM   591  C CD2 . PHE A 1 91 ? 0.267  6.572   4.516   1.00 19.47 ? 91  PHE A CD2 1 
ATOM   592  C CE1 . PHE A 1 91 ? 2.990  6.928   4.916   1.00 18.22 ? 91  PHE A CE1 1 
ATOM   593  C CE2 . PHE A 1 91 ? 0.736  7.391   5.550   1.00 18.33 ? 91  PHE A CE2 1 
ATOM   594  C CZ  . PHE A 1 91 ? 2.095  7.582   5.749   1.00 17.91 ? 91  PHE A CZ  1 
ATOM   595  N N   . VAL A 1 92 ? 2.357  2.517   2.430   1.00 19.32 ? 92  VAL A N   1 
ATOM   596  C CA  . VAL A 1 92 ? 3.606  1.897   2.811   1.00 19.49 ? 92  VAL A CA  1 
ATOM   597  C C   . VAL A 1 92 ? 4.707  2.926   2.637   1.00 19.09 ? 92  VAL A C   1 
ATOM   598  O O   . VAL A 1 92 ? 4.603  3.830   1.806   1.00 18.22 ? 92  VAL A O   1 
ATOM   599  C CB  . VAL A 1 92 ? 3.927  0.629   1.992   1.00 19.51 ? 92  VAL A CB  1 
ATOM   600  C CG1 . VAL A 1 92 ? 2.847  -0.435  2.196   1.00 20.38 ? 92  VAL A CG1 1 
ATOM   601  C CG2 . VAL A 1 92 ? 4.009  0.967   0.517   1.00 20.69 ? 92  VAL A CG2 1 
ATOM   602  N N   . VAL A 1 93 ? 5.776  2.698   3.386   1.00 18.87 ? 93  VAL A N   1 
ATOM   603  C CA  . VAL A 1 93 ? 6.933  3.541   3.223   1.00 19.56 ? 93  VAL A CA  1 
ATOM   604  C C   . VAL A 1 93 ? 8.085  2.633   2.856   1.00 20.35 ? 93  VAL A C   1 
ATOM   605  O O   . VAL A 1 93 ? 8.367  1.689   3.608   1.00 20.99 ? 93  VAL A O   1 
ATOM   606  C CB  . VAL A 1 93 ? 7.272  4.227   4.548   1.00 19.79 ? 93  VAL A CB  1 
ATOM   607  C CG1 . VAL A 1 93 ? 8.531  5.096   4.422   1.00 19.93 ? 93  VAL A CG1 1 
ATOM   608  C CG2 . VAL A 1 93 ? 6.076  5.040   5.016   1.00 20.78 ? 93  VAL A CG2 1 
ATOM   609  N N   . VAL A 1 94 ? 8.701  2.952   1.728   1.00 19.61 ? 94  VAL A N   1 
ATOM   610  C CA  . VAL A 1 94 ? 9.887  2.249   1.293   1.00 20.50 ? 94  VAL A CA  1 
ATOM   611  C C   . VAL A 1 94 ? 11.020 3.236   1.512   1.00 22.10 ? 94  VAL A C   1 
ATOM   612  O O   . VAL A 1 94 ? 10.984 4.379   0.987   1.00 22.16 ? 94  VAL A O   1 
ATOM   613  C CB  . VAL A 1 94 ? 9.779  1.822   -0.181  1.00 19.56 ? 94  VAL A CB  1 
ATOM   614  C CG1 . VAL A 1 94 ? 11.089 1.169   -0.639  1.00 19.82 ? 94  VAL A CG1 1 
ATOM   615  C CG2 . VAL A 1 94 ? 8.609  0.885   -0.416  1.00 19.94 ? 94  VAL A CG2 1 
ATOM   616  N N   . THR A 1 95 ? 11.950 2.814   2.372   1.00 23.69 ? 95  THR A N   1 
ATOM   617  C CA  . THR A 1 95 ? 13.106 3.617   2.730   1.00 26.72 ? 95  THR A CA  1 
ATOM   618  C C   . THR A 1 95 ? 14.287 3.003   2.008   1.00 30.06 ? 95  THR A C   1 
ATOM   619  O O   . THR A 1 95 ? 14.578 1.815   2.185   1.00 30.53 ? 95  THR A O   1 
ATOM   620  C CB  . THR A 1 95 ? 13.358 3.635   4.246   1.00 28.16 ? 95  THR A CB  1 
ATOM   621  O OG1 . THR A 1 95 ? 12.200 4.159   4.896   1.00 29.20 ? 95  THR A OG1 1 
ATOM   622  C CG2 . THR A 1 95 ? 14.531 4.504   4.634   1.00 28.13 ? 95  THR A CG2 1 
ATOM   623  N N   . VAL A 1 96 ? 14.874 3.807   1.131   1.00 30.76 ? 96  VAL A N   1 
ATOM   624  C CA  . VAL A 1 96 ? 16.031 3.406   0.368   1.00 35.15 ? 96  VAL A CA  1 
ATOM   625  C C   . VAL A 1 96 ? 17.263 3.940   1.092   1.00 37.61 ? 96  VAL A C   1 
ATOM   626  O O   . VAL A 1 96 ? 17.260 5.086   1.560   1.00 34.97 ? 96  VAL A O   1 
ATOM   627  C CB  . VAL A 1 96 ? 15.924 3.899   -1.086  1.00 32.98 ? 96  VAL A CB  1 
ATOM   628  C CG1 . VAL A 1 96 ? 17.080 3.369   -1.923  1.00 36.36 ? 96  VAL A CG1 1 
ATOM   629  C CG2 . VAL A 1 96 ? 14.592 3.481   -1.692  1.00 35.81 ? 96  VAL A CG2 1 
ATOM   630  N N   . LYS A 1 97 ? 18.263 3.063   1.212   1.00 41.43 ? 97  LYS A N   1 
ATOM   631  C CA  . LYS A 1 97 ? 19.574 3.364   1.755   1.00 48.15 ? 97  LYS A CA  1 
ATOM   632  C C   . LYS A 1 97 ? 19.394 4.132   3.062   1.00 54.12 ? 97  LYS A C   1 
ATOM   633  O O   . LYS A 1 97 ? 18.472 3.785   3.792   1.00 58.49 ? 97  LYS A O   1 
ATOM   634  C CB  . LYS A 1 97 ? 20.415 4.122   0.725   1.00 50.92 ? 97  LYS A CB  1 
ATOM   635  C CG  . LYS A 1 97 ? 21.923 3.997   0.903   1.00 55.14 ? 97  LYS A CG  1 
ATOM   636  C CD  . LYS A 1 97 ? 22.595 5.354   1.049   1.00 60.83 ? 97  LYS A CD  1 
ATOM   637  C CE  . LYS A 1 97 ? 23.987 5.428   0.453   1.00 67.00 ? 97  LYS A CE  1 
ATOM   638  N NZ  . LYS A 1 97 ? 24.615 4.089   0.335   1.00 71.03 ? 97  LYS A NZ  1 
ATOM   639  O OXT . LYS A 1 97 ? 20.118 5.081   3.396   1.00 60.13 ? 97  LYS A OXT 1 
ATOM   640  N N   . ASP B 1 2  ? 28.283 -13.280 -20.273 1.00 69.97 ? 2   ASP B N   1 
ATOM   641  C CA  . ASP B 1 2  ? 27.675 -12.702 -19.031 1.00 66.17 ? 2   ASP B CA  1 
ATOM   642  C C   . ASP B 1 2  ? 27.395 -13.824 -18.025 1.00 65.00 ? 2   ASP B C   1 
ATOM   643  O O   . ASP B 1 2  ? 27.111 -14.958 -18.424 1.00 63.65 ? 2   ASP B O   1 
ATOM   644  C CB  . ASP B 1 2  ? 26.450 -11.845 -19.370 1.00 64.95 ? 2   ASP B CB  1 
ATOM   645  C CG  . ASP B 1 2  ? 26.687 -10.843 -20.492 1.00 64.84 ? 2   ASP B CG  1 
ATOM   646  O OD1 . ASP B 1 2  ? 27.865 -10.614 -20.843 1.00 68.40 ? 2   ASP B OD1 1 
ATOM   647  O OD2 . ASP B 1 2  ? 25.697 -10.319 -21.018 1.00 59.75 ? 2   ASP B OD2 1 
ATOM   648  N N   . PRO B 1 3  ? 27.478 -13.562 -16.694 1.00 64.78 ? 3   PRO B N   1 
ATOM   649  C CA  . PRO B 1 3  ? 27.285 -14.613 -15.688 1.00 64.42 ? 3   PRO B CA  1 
ATOM   650  C C   . PRO B 1 3  ? 25.861 -15.179 -15.659 1.00 63.26 ? 3   PRO B C   1 
ATOM   651  O O   . PRO B 1 3  ? 24.926 -14.537 -16.148 1.00 60.77 ? 3   PRO B O   1 
ATOM   652  C CB  . PRO B 1 3  ? 27.631 -13.896 -14.371 1.00 64.23 ? 3   PRO B CB  1 
ATOM   653  C CG  . PRO B 1 3  ? 27.337 -12.446 -14.635 1.00 62.14 ? 3   PRO B CG  1 
ATOM   654  C CD  . PRO B 1 3  ? 27.743 -12.248 -16.081 1.00 64.86 ? 3   PRO B CD  1 
ATOM   655  N N   . LYS B 1 4  ? 25.709 -16.389 -15.091 1.00 63.54 ? 4   LYS B N   1 
ATOM   656  C CA  . LYS B 1 4  ? 24.414 -17.003 -14.816 1.00 62.32 ? 4   LYS B CA  1 
ATOM   657  C C   . LYS B 1 4  ? 23.700 -16.224 -13.704 1.00 63.01 ? 4   LYS B C   1 
ATOM   658  O O   . LYS B 1 4  ? 24.356 -15.496 -12.961 1.00 62.89 ? 4   LYS B O   1 
ATOM   659  C CB  . LYS B 1 4  ? 24.626 -18.473 -14.443 1.00 61.36 ? 4   LYS B CB  1 
ATOM   660  N N   . ILE B 1 5  ? 22.359 -16.358 -13.622 1.00 63.87 ? 5   ILE B N   1 
ATOM   661  C CA  . ILE B 1 5  ? 21.517 -15.697 -12.626 1.00 65.05 ? 5   ILE B CA  1 
ATOM   662  C C   . ILE B 1 5  ? 22.280 -15.709 -11.306 1.00 65.72 ? 5   ILE B C   1 
ATOM   663  O O   . ILE B 1 5  ? 22.442 -14.681 -10.652 1.00 61.12 ? 5   ILE B O   1 
ATOM   664  C CB  . ILE B 1 5  ? 20.152 -16.411 -12.465 1.00 64.71 ? 5   ILE B CB  1 
ATOM   665  C CG1 . ILE B 1 5  ? 19.346 -16.475 -13.764 1.00 65.43 ? 5   ILE B CG1 1 
ATOM   666  C CG2 . ILE B 1 5  ? 19.338 -15.787 -11.348 1.00 66.28 ? 5   ILE B CG2 1 
ATOM   667  C CD1 . ILE B 1 5  ? 18.795 -15.137 -14.238 1.00 62.33 ? 5   ILE B CD1 1 
ATOM   668  N N   . SER B 1 6  ? 22.759 -16.908 -10.964 1.00 66.33 ? 6   SER B N   1 
ATOM   669  C CA  . SER B 1 6  ? 23.674 -17.156 -9.863  1.00 70.90 ? 6   SER B CA  1 
ATOM   670  C C   . SER B 1 6  ? 25.099 -16.791 -10.284 1.00 74.59 ? 6   SER B C   1 
ATOM   671  O O   . SER B 1 6  ? 25.883 -17.664 -10.665 1.00 82.54 ? 6   SER B O   1 
ATOM   672  C CB  . SER B 1 6  ? 23.578 -18.604 -9.442  1.00 70.66 ? 6   SER B CB  1 
ATOM   673  O OG  . SER B 1 6  ? 23.654 -19.452 -10.580 1.00 70.11 ? 6   SER B OG  1 
ATOM   674  N N   . GLU B 1 7  ? 25.406 -15.488 -10.244 1.00 71.22 ? 7   GLU B N   1 
ATOM   675  C CA  . GLU B 1 7  ? 26.753 -14.962 -10.405 1.00 71.41 ? 7   GLU B CA  1 
ATOM   676  C C   . GLU B 1 7  ? 26.675 -13.442 -10.441 1.00 71.68 ? 7   GLU B C   1 
ATOM   677  O O   . GLU B 1 7  ? 27.679 -12.765 -10.238 1.00 73.97 ? 7   GLU B O   1 
ATOM   678  C CB  . GLU B 1 7  ? 27.461 -15.528 -11.638 1.00 71.29 ? 7   GLU B CB  1 
ATOM   679  N N   . MET B 1 8  ? 25.463 -12.924 -10.679 1.00 70.52 ? 8   MET B N   1 
ATOM   680  C CA  . MET B 1 8  ? 25.230 -11.491 -10.776 1.00 68.83 ? 8   MET B CA  1 
ATOM   681  C C   . MET B 1 8  ? 25.184 -10.883 -9.380  1.00 68.62 ? 8   MET B C   1 
ATOM   682  O O   . MET B 1 8  ? 24.537 -11.429 -8.486  1.00 67.23 ? 8   MET B O   1 
ATOM   683  C CB  . MET B 1 8  ? 23.890 -11.195 -11.454 1.00 66.46 ? 8   MET B CB  1 
ATOM   684  C CG  . MET B 1 8  ? 23.775 -11.754 -12.853 1.00 67.07 ? 8   MET B CG  1 
ATOM   685  S SD  . MET B 1 8  ? 22.060 -11.660 -13.422 1.00 64.23 ? 8   MET B SD  1 
ATOM   686  C CE  . MET B 1 8  ? 21.781 -9.867  -13.410 1.00 60.67 ? 8   MET B CE  1 
ATOM   687  N N   . HIS B 1 9  ? 25.871 -9.743  -9.230  1.00 69.49 ? 9   HIS B N   1 
ATOM   688  C CA  . HIS B 1 9  ? 25.702 -8.842  -8.100  1.00 68.46 ? 9   HIS B CA  1 
ATOM   689  C C   . HIS B 1 9  ? 25.166 -7.523  -8.638  1.00 64.17 ? 9   HIS B C   1 
ATOM   690  O O   . HIS B 1 9  ? 25.498 -7.145  -9.761  1.00 67.37 ? 9   HIS B O   1 
ATOM   691  C CB  . HIS B 1 9  ? 27.012 -8.676  -7.320  1.00 72.77 ? 9   HIS B CB  1 
ATOM   692  C CG  . HIS B 1 9  ? 27.739 -9.968  -7.180  1.00 75.79 ? 9   HIS B CG  1 
ATOM   693  N ND1 . HIS B 1 9  ? 27.566 -10.799 -6.087  1.00 77.01 ? 9   HIS B ND1 1 
ATOM   694  C CD2 . HIS B 1 9  ? 28.597 -10.602 -8.012  1.00 80.56 ? 9   HIS B CD2 1 
ATOM   695  C CE1 . HIS B 1 9  ? 28.306 -11.883 -6.238  1.00 79.65 ? 9   HIS B CE1 1 
ATOM   696  N NE2 . HIS B 1 9  ? 28.946 -11.788 -7.417  1.00 81.51 ? 9   HIS B NE2 1 
ATOM   697  N N   . PRO B 1 10 ? 24.226 -6.861  -7.924  1.00 58.08 ? 10  PRO B N   1 
ATOM   698  C CA  . PRO B 1 10 ? 23.453 -7.521  -6.868  1.00 54.73 ? 10  PRO B CA  1 
ATOM   699  C C   . PRO B 1 10 ? 22.783 -8.789  -7.399  1.00 53.36 ? 10  PRO B C   1 
ATOM   700  O O   . PRO B 1 10 ? 22.537 -8.917  -8.598  1.00 53.13 ? 10  PRO B O   1 
ATOM   701  C CB  . PRO B 1 10 ? 22.399 -6.466  -6.488  1.00 53.56 ? 10  PRO B CB  1 
ATOM   702  C CG  . PRO B 1 10 ? 23.079 -5.148  -6.826  1.00 55.43 ? 10  PRO B CG  1 
ATOM   703  C CD  . PRO B 1 10 ? 23.902 -5.434  -8.067  1.00 57.18 ? 10  PRO B CD  1 
ATOM   704  N N   . ALA B 1 11 ? 22.562 -9.752  -6.494  1.00 49.03 ? 11  ALA B N   1 
ATOM   705  C CA  . ALA B 1 11 ? 21.741 -10.918 -6.761  1.00 46.70 ? 11  ALA B CA  1 
ATOM   706  C C   . ALA B 1 11 ? 20.313 -10.485 -7.088  1.00 44.93 ? 11  ALA B C   1 
ATOM   707  O O   . ALA B 1 11 ? 19.812 -9.483  -6.555  1.00 41.41 ? 11  ALA B O   1 
ATOM   708  C CB  . ALA B 1 11 ? 21.746 -11.826 -5.560  1.00 45.99 ? 11  ALA B CB  1 
ATOM   709  N N   . LEU B 1 12 ? 19.665 -11.273 -7.954  1.00 40.58 ? 12  LEU B N   1 
ATOM   710  C CA  . LEU B 1 12 ? 18.238 -11.138 -8.184  1.00 39.85 ? 12  LEU B CA  1 
ATOM   711  C C   . LEU B 1 12 ? 17.475 -11.776 -7.020  1.00 39.98 ? 12  LEU B C   1 
ATOM   712  O O   . LEU B 1 12 ? 17.603 -12.974 -6.770  1.00 37.51 ? 12  LEU B O   1 
ATOM   713  C CB  . LEU B 1 12 ? 17.905 -11.826 -9.506  1.00 40.34 ? 12  LEU B CB  1 
ATOM   714  C CG  . LEU B 1 12 ? 18.003 -10.956 -10.763 1.00 43.76 ? 12  LEU B CG  1 
ATOM   715  C CD1 . LEU B 1 12 ? 19.250 -10.084 -10.793 1.00 43.32 ? 12  LEU B CD1 1 
ATOM   716  C CD2 . LEU B 1 12 ? 17.945 -11.831 -12.008 1.00 43.77 ? 12  LEU B CD2 1 
ATOM   717  N N   . ARG B 1 13 ? 16.688 -10.963 -6.294  1.00 36.73 ? 13  ARG B N   1 
ATOM   718  C CA  . ARG B 1 13 ? 15.849 -11.541 -5.261  1.00 37.74 ? 13  ARG B CA  1 
ATOM   719  C C   . ARG B 1 13 ? 14.373 -11.482 -5.667  1.00 35.45 ? 13  ARG B C   1 
ATOM   720  O O   . ARG B 1 13 ? 13.840 -10.417 -5.984  1.00 34.66 ? 13  ARG B O   1 
ATOM   721  C CB  . ARG B 1 13 ? 16.169 -10.865 -3.926  1.00 39.67 ? 13  ARG B CB  1 
ATOM   722  C CG  . ARG B 1 13 ? 17.627 -11.001 -3.519  1.00 45.21 ? 13  ARG B CG  1 
ATOM   723  C CD  . ARG B 1 13 ? 17.962 -10.071 -2.371  1.00 49.17 ? 13  ARG B CD  1 
ATOM   724  N NE  . ARG B 1 13 ? 19.401 -9.879  -2.225  1.00 57.93 ? 13  ARG B NE  1 
ATOM   725  C CZ  . ARG B 1 13 ? 20.191 -9.069  -2.956  1.00 62.53 ? 13  ARG B CZ  1 
ATOM   726  N NH1 . ARG B 1 13 ? 19.703 -8.317  -3.946  1.00 55.82 ? 13  ARG B NH1 1 
ATOM   727  N NH2 . ARG B 1 13 ? 21.492 -9.036  -2.676  1.00 64.15 ? 13  ARG B NH2 1 
ATOM   728  N N   . LEU B 1 14 ? 13.725 -12.646 -5.707  1.00 35.23 ? 14  LEU B N   1 
ATOM   729  C CA  . LEU B 1 14 ? 12.280 -12.664 -5.804  1.00 35.22 ? 14  LEU B CA  1 
ATOM   730  C C   . LEU B 1 14 ? 11.694 -12.323 -4.433  1.00 36.40 ? 14  LEU B C   1 
ATOM   731  O O   . LEU B 1 14 ? 12.048 -12.957 -3.440  1.00 36.28 ? 14  LEU B O   1 
ATOM   732  C CB  . LEU B 1 14 ? 11.837 -14.046 -6.286  1.00 38.84 ? 14  LEU B CB  1 
ATOM   733  C CG  . LEU B 1 14 ? 10.323 -14.286 -6.323  1.00 40.38 ? 14  LEU B CG  1 
ATOM   734  C CD1 . LEU B 1 14 ? 9.626  -13.333 -7.300  1.00 39.62 ? 14  LEU B CD1 1 
ATOM   735  C CD2 . LEU B 1 14 ? 10.007 -15.741 -6.693  1.00 42.18 ? 14  LEU B CD2 1 
ATOM   736  N N   . VAL B 1 15 ? 10.804 -11.318 -4.395  1.00 33.64 ? 15  VAL B N   1 
ATOM   737  C CA  . VAL B 1 15 ? 10.046 -10.942 -3.217  1.00 33.55 ? 15  VAL B CA  1 
ATOM   738  C C   . VAL B 1 15 ? 8.860  -11.881 -3.077  1.00 36.13 ? 15  VAL B C   1 
ATOM   739  O O   . VAL B 1 15 ? 8.176  -12.171 -4.048  1.00 33.24 ? 15  VAL B O   1 
ATOM   740  C CB  . VAL B 1 15 ? 9.554  -9.485  -3.303  1.00 33.09 ? 15  VAL B CB  1 
ATOM   741  C CG1 . VAL B 1 15 ? 8.520  -9.113  -2.234  1.00 32.73 ? 15  VAL B CG1 1 
ATOM   742  C CG2 . VAL B 1 15 ? 10.723 -8.520  -3.342  1.00 32.46 ? 15  VAL B CG2 1 
ATOM   743  N N   . ASP B 1 16 ? 8.625  -12.331 -1.834  1.00 39.43 ? 16  ASP B N   1 
ATOM   744  C CA  . ASP B 1 16 ? 7.369  -12.971 -1.481  1.00 45.06 ? 16  ASP B CA  1 
ATOM   745  C C   . ASP B 1 16 ? 6.216  -12.485 -2.368  1.00 42.27 ? 16  ASP B C   1 
ATOM   746  O O   . ASP B 1 16 ? 5.786  -11.344 -2.282  1.00 43.74 ? 16  ASP B O   1 
ATOM   747  C CB  . ASP B 1 16 ? 7.029  -12.692 -0.015  1.00 49.61 ? 16  ASP B CB  1 
ATOM   748  C CG  . ASP B 1 16 ? 5.976  -13.653 0.504   1.00 55.49 ? 16  ASP B CG  1 
ATOM   749  O OD1 . ASP B 1 16 ? 5.922  -13.852 1.762   1.00 61.14 ? 16  ASP B OD1 1 
ATOM   750  O OD2 . ASP B 1 16 ? 5.236  -14.217 -0.342  1.00 55.06 ? 16  ASP B OD2 1 
ATOM   751  N N   . PRO B 1 17 ? 5.610  -13.349 -3.208  1.00 42.47 ? 17  PRO B N   1 
ATOM   752  C CA  . PRO B 1 17 ? 4.516  -12.922 -4.078  1.00 40.42 ? 17  PRO B CA  1 
ATOM   753  C C   . PRO B 1 17 ? 3.236  -12.526 -3.348  1.00 38.59 ? 17  PRO B C   1 
ATOM   754  O O   . PRO B 1 17 ? 2.260  -12.188 -3.990  1.00 37.81 ? 17  PRO B O   1 
ATOM   755  C CB  . PRO B 1 17 ? 4.280  -14.194 -4.914  1.00 43.23 ? 17  PRO B CB  1 
ATOM   756  C CG  . PRO B 1 17 ? 5.613  -14.890 -4.861  1.00 42.85 ? 17  PRO B CG  1 
ATOM   757  C CD  . PRO B 1 17 ? 5.954  -14.770 -3.395  1.00 43.21 ? 17  PRO B CD  1 
ATOM   758  N N   . GLN B 1 18 ? 3.243  -12.559 -2.012  1.00 38.19 ? 18  GLN B N   1 
ATOM   759  C CA  . GLN B 1 18 ? 2.211  -11.878 -1.247  1.00 38.50 ? 18  GLN B CA  1 
ATOM   760  C C   . GLN B 1 18 ? 2.340  -10.348 -1.347  1.00 35.50 ? 18  GLN B C   1 
ATOM   761  O O   . GLN B 1 18 ? 1.418  -9.625  -0.970  1.00 35.32 ? 18  GLN B O   1 
ATOM   762  C CB  . GLN B 1 18 ? 2.194  -12.393 0.190   1.00 42.73 ? 18  GLN B CB  1 
ATOM   763  C CG  . GLN B 1 18 ? 1.708  -13.846 0.252   1.00 50.26 ? 18  GLN B CG  1 
ATOM   764  C CD  . GLN B 1 18 ? 0.694  -14.155 1.336   1.00 50.89 ? 18  GLN B CD  1 
ATOM   765  O OE1 . GLN B 1 18 ? 0.596  -13.454 2.348   1.00 52.53 ? 18  GLN B OE1 1 
ATOM   766  N NE2 . GLN B 1 18 ? -0.084 -15.214 1.124   1.00 50.40 ? 18  GLN B NE2 1 
ATOM   767  N N   . ILE B 1 19 ? 3.497  -9.865  -1.801  1.00 31.03 ? 19  ILE B N   1 
ATOM   768  C CA  . ILE B 1 19 ? 3.716  -8.447  -2.068  1.00 27.84 ? 19  ILE B CA  1 
ATOM   769  C C   . ILE B 1 19 ? 4.103  -8.311  -3.542  1.00 27.35 ? 19  ILE B C   1 
ATOM   770  O O   . ILE B 1 19 ? 5.078  -8.913  -3.984  1.00 28.48 ? 19  ILE B O   1 
ATOM   771  C CB  . ILE B 1 19 ? 4.798  -7.879  -1.128  1.00 29.08 ? 19  ILE B CB  1 
ATOM   772  C CG1 . ILE B 1 19 ? 4.373  -8.053  0.341   1.00 27.85 ? 19  ILE B CG1 1 
ATOM   773  C CG2 . ILE B 1 19 ? 5.100  -6.405  -1.444  1.00 27.12 ? 19  ILE B CG2 1 
ATOM   774  C CD1 . ILE B 1 19 ? 5.533  -8.067  1.296   1.00 32.51 ? 19  ILE B CD1 1 
ATOM   775  N N   . GLN B 1 20 ? 3.273  -7.593  -4.297  1.00 26.27 ? 20  GLN B N   1 
ATOM   776  C CA  . GLN B 1 20 ? 3.495  -7.392  -5.717  1.00 26.85 ? 20  GLN B CA  1 
ATOM   777  C C   . GLN B 1 20 ? 3.282  -5.913  -6.022  1.00 26.24 ? 20  GLN B C   1 
ATOM   778  O O   . GLN B 1 20 ? 2.819  -5.155  -5.175  1.00 26.70 ? 20  GLN B O   1 
ATOM   779  C CB  . GLN B 1 20 ? 2.539  -8.276  -6.519  1.00 29.14 ? 20  GLN B CB  1 
ATOM   780  C CG  . GLN B 1 20 ? 2.718  -9.764  -6.216  1.00 30.25 ? 20  GLN B CG  1 
ATOM   781  C CD  . GLN B 1 20 ? 2.104  -10.653 -7.269  1.00 32.07 ? 20  GLN B CD  1 
ATOM   782  O OE1 . GLN B 1 20 ? 1.809  -10.251 -8.390  1.00 31.71 ? 20  GLN B OE1 1 
ATOM   783  N NE2 . GLN B 1 20 ? 1.940  -11.909 -6.935  1.00 35.12 ? 20  GLN B NE2 1 
ATOM   784  N N   . LEU B 1 21 ? 3.715  -5.507  -7.204  1.00 24.17 ? 21  LEU B N   1 
ATOM   785  C CA  . LEU B 1 21 ? 3.547  -4.132  -7.634  1.00 26.62 ? 21  LEU B CA  1 
ATOM   786  C C   . LEU B 1 21 ? 2.293  -4.004  -8.511  1.00 26.19 ? 21  LEU B C   1 
ATOM   787  O O   . LEU B 1 21 ? 2.159  -4.727  -9.506  1.00 27.72 ? 21  LEU B O   1 
ATOM   788  C CB  . LEU B 1 21 ? 4.820  -3.707  -8.375  1.00 24.17 ? 21  LEU B CB  1 
ATOM   789  C CG  . LEU B 1 21 ? 4.947  -2.199  -8.535  1.00 25.10 ? 21  LEU B CG  1 
ATOM   790  C CD1 . LEU B 1 21 ? 5.216  -1.557  -7.173  1.00 24.27 ? 21  LEU B CD1 1 
ATOM   791  C CD2 . LEU B 1 21 ? 6.047  -1.900  -9.554  1.00 24.69 ? 21  LEU B CD2 1 
ATOM   792  N N   . ALA B 1 22 ? 1.359  -3.130  -8.091  1.00 26.75 ? 22  ALA B N   1 
ATOM   793  C CA  . ALA B 1 22 ? 0.169  -2.829  -8.886  1.00 30.33 ? 22  ALA B CA  1 
ATOM   794  C C   . ALA B 1 22 ? 0.468  -1.691  -9.856  1.00 31.53 ? 22  ALA B C   1 
ATOM   795  O O   . ALA B 1 22 ? 0.910  -0.596  -9.438  1.00 28.35 ? 22  ALA B O   1 
ATOM   796  C CB  . ALA B 1 22 ? -1.046 -2.523  -8.037  1.00 30.19 ? 22  ALA B CB  1 
ATOM   797  N N   . VAL B 1 23 ? 0.206  -1.942  -11.149 1.00 34.22 ? 23  VAL B N   1 
ATOM   798  C CA  . VAL B 1 23 ? 0.526  -0.944  -12.171 1.00 39.78 ? 23  VAL B CA  1 
ATOM   799  C C   . VAL B 1 23 ? -0.702 -0.649  -13.043 1.00 44.61 ? 23  VAL B C   1 
ATOM   800  O O   . VAL B 1 23 ? -1.309 -1.573  -13.593 1.00 45.84 ? 23  VAL B O   1 
ATOM   801  C CB  . VAL B 1 23 ? 1.749  -1.374  -13.006 1.00 39.20 ? 23  VAL B CB  1 
ATOM   802  C CG1 . VAL B 1 23 ? 2.242  -0.261  -13.922 1.00 42.84 ? 23  VAL B CG1 1 
ATOM   803  C CG2 . VAL B 1 23 ? 2.888  -1.864  -12.133 1.00 35.67 ? 23  VAL B CG2 1 
ATOM   804  N N   . THR B 1 24 ? -1.084 0.641   -13.108 1.00 46.84 ? 24  THR B N   1 
ATOM   805  C CA  . THR B 1 24 ? -2.026 1.209   -14.068 1.00 54.86 ? 24  THR B CA  1 
ATOM   806  C C   . THR B 1 24 ? -1.379 2.428   -14.741 1.00 55.79 ? 24  THR B C   1 
ATOM   807  O O   . THR B 1 24 ? -0.753 2.207   -15.797 1.00 61.63 ? 24  THR B O   1 
ATOM   808  C CB  . THR B 1 24 ? -3.329 1.700   -13.422 1.00 57.78 ? 24  THR B CB  1 
ATOM   809  O OG1 . THR B 1 24 ? -3.803 0.721   -12.498 1.00 63.60 ? 24  THR B OG1 1 
ATOM   810  C CG2 . THR B 1 24 ? -4.411 2.024   -14.433 1.00 58.85 ? 24  THR B CG2 1 
ATOM   811  N N   . PRO B 1 39 ? -5.348 -2.413  -13.221 1.00 63.75 ? 39  PRO B N   1 
ATOM   812  C CA  . PRO B 1 39 ? -4.798 -3.065  -12.014 1.00 59.68 ? 39  PRO B CA  1 
ATOM   813  C C   . PRO B 1 39 ? -4.119 -4.377  -12.411 1.00 55.86 ? 39  PRO B C   1 
ATOM   814  O O   . PRO B 1 39 ? -4.566 -5.465  -12.055 1.00 56.20 ? 39  PRO B O   1 
ATOM   815  C CB  . PRO B 1 39 ? -6.016 -3.328  -11.114 1.00 61.92 ? 39  PRO B CB  1 
ATOM   816  C CG  . PRO B 1 39 ? -6.974 -2.225  -11.494 1.00 65.65 ? 39  PRO B CG  1 
ATOM   817  C CD  . PRO B 1 39 ? -6.734 -1.989  -12.975 1.00 66.23 ? 39  PRO B CD  1 
ATOM   818  N N   . LYS B 1 40 ? -3.043 -4.268  -13.186 1.00 48.91 ? 40  LYS B N   1 
ATOM   819  C CA  . LYS B 1 40 ? -2.166 -5.403  -13.365 1.00 43.83 ? 40  LYS B CA  1 
ATOM   820  C C   . LYS B 1 40 ? -1.215 -5.445  -12.173 1.00 40.53 ? 40  LYS B C   1 
ATOM   821  O O   . LYS B 1 40 ? -0.632 -4.437  -11.797 1.00 37.37 ? 40  LYS B O   1 
ATOM   822  C CB  . LYS B 1 40 ? -1.403 -5.261  -14.682 1.00 44.23 ? 40  LYS B CB  1 
ATOM   823  N N   . VAL B 1 41 ? -1.063 -6.633  -11.600 1.00 39.20 ? 41  VAL B N   1 
ATOM   824  C CA  . VAL B 1 41 ? -0.210 -6.877  -10.459 1.00 37.75 ? 41  VAL B CA  1 
ATOM   825  C C   . VAL B 1 41 ? 0.955  -7.754  -10.903 1.00 36.42 ? 41  VAL B C   1 
ATOM   826  O O   . VAL B 1 41 ? 0.744  -8.743  -11.603 1.00 35.47 ? 41  VAL B O   1 
ATOM   827  C CB  . VAL B 1 41 ? -1.036 -7.541  -9.344  1.00 39.92 ? 41  VAL B CB  1 
ATOM   828  C CG1 . VAL B 1 41 ? -0.235 -7.658  -8.079  1.00 42.19 ? 41  VAL B CG1 1 
ATOM   829  C CG2 . VAL B 1 41 ? -2.300 -6.744  -9.078  1.00 42.67 ? 41  VAL B CG2 1 
ATOM   830  N N   . TYR B 1 42 ? 2.159  -7.425  -10.425 1.00 32.55 ? 42  TYR B N   1 
ATOM   831  C CA  . TYR B 1 42 ? 3.393  -8.009  -10.916 1.00 30.34 ? 42  TYR B CA  1 
ATOM   832  C C   . TYR B 1 42 ? 4.257  -8.460  -9.758  1.00 28.85 ? 42  TYR B C   1 
ATOM   833  O O   . TYR B 1 42 ? 4.569  -7.659  -8.852  1.00 28.51 ? 42  TYR B O   1 
ATOM   834  C CB  . TYR B 1 42 ? 4.205  -6.963  -11.691 1.00 29.37 ? 42  TYR B CB  1 
ATOM   835  C CG  . TYR B 1 42 ? 3.514  -6.528  -12.960 1.00 32.73 ? 42  TYR B CG  1 
ATOM   836  C CD1 . TYR B 1 42 ? 2.646  -5.446  -12.983 1.00 32.69 ? 42  TYR B CD1 1 
ATOM   837  C CD2 . TYR B 1 42 ? 3.700  -7.242  -14.127 1.00 32.53 ? 42  TYR B CD2 1 
ATOM   838  C CE1 . TYR B 1 42 ? 1.979  -5.075  -14.138 1.00 35.25 ? 42  TYR B CE1 1 
ATOM   839  C CE2 . TYR B 1 42 ? 3.050  -6.883  -15.300 1.00 36.34 ? 42  TYR B CE2 1 
ATOM   840  C CZ  . TYR B 1 42 ? 2.196  -5.792  -15.308 1.00 36.79 ? 42  TYR B CZ  1 
ATOM   841  O OH  . TYR B 1 42 ? 1.571  -5.472  -16.476 1.00 39.69 ? 42  TYR B OH  1 
ATOM   842  N N   . PRO B 1 43 ? 4.765  -9.716  -9.814  1.00 28.49 ? 43  PRO B N   1 
ATOM   843  C CA  . PRO B 1 43 ? 5.792  -10.164 -8.878  1.00 28.85 ? 43  PRO B CA  1 
ATOM   844  C C   . PRO B 1 43 ? 6.993  -9.219  -8.975  1.00 27.89 ? 43  PRO B C   1 
ATOM   845  O O   . PRO B 1 43 ? 7.281  -8.702  -10.054 1.00 26.53 ? 43  PRO B O   1 
ATOM   846  C CB  . PRO B 1 43 ? 6.168  -11.563 -9.393  1.00 30.03 ? 43  PRO B CB  1 
ATOM   847  C CG  . PRO B 1 43 ? 4.919  -12.019 -10.138 1.00 30.58 ? 43  PRO B CG  1 
ATOM   848  C CD  . PRO B 1 43 ? 4.401  -10.754 -10.798 1.00 30.28 ? 43  PRO B CD  1 
ATOM   849  N N   . ILE B 1 44 ? 7.676  -9.014  -7.846  1.00 26.25 ? 44  ILE B N   1 
ATOM   850  C CA  . ILE B 1 44 ? 8.792  -8.088  -7.801  1.00 26.06 ? 44  ILE B CA  1 
ATOM   851  C C   . ILE B 1 44 ? 10.095 -8.881  -7.685  1.00 26.27 ? 44  ILE B C   1 
ATOM   852  O O   . ILE B 1 44 ? 10.245 -9.727  -6.803  1.00 27.49 ? 44  ILE B O   1 
ATOM   853  C CB  . ILE B 1 44 ? 8.675  -7.136  -6.580  1.00 25.66 ? 44  ILE B CB  1 
ATOM   854  C CG1 . ILE B 1 44 ? 7.346  -6.358  -6.562  1.00 25.52 ? 44  ILE B CG1 1 
ATOM   855  C CG2 . ILE B 1 44 ? 9.908  -6.240  -6.536  1.00 24.73 ? 44  ILE B CG2 1 
ATOM   856  C CD1 . ILE B 1 44 ? 6.990  -5.683  -5.222  1.00 24.51 ? 44  ILE B CD1 1 
ATOM   857  N N   . ILE B 1 45 ? 11.066 -8.522  -8.521  1.00 25.20 ? 45  ILE B N   1 
ATOM   858  C CA  . ILE B 1 45 ? 12.465 -8.902  -8.382  1.00 27.80 ? 45  ILE B CA  1 
ATOM   859  C C   . ILE B 1 45 ? 13.213 -7.651  -7.944  1.00 28.51 ? 45  ILE B C   1 
ATOM   860  O O   . ILE B 1 45 ? 13.096 -6.601  -8.599  1.00 27.48 ? 45  ILE B O   1 
ATOM   861  C CB  . ILE B 1 45 ? 13.041 -9.395  -9.728  1.00 29.87 ? 45  ILE B CB  1 
ATOM   862  C CG1 . ILE B 1 45 ? 12.239 -10.542 -10.367 1.00 30.83 ? 45  ILE B CG1 1 
ATOM   863  C CG2 . ILE B 1 45 ? 14.519 -9.777  -9.568  1.00 32.83 ? 45  ILE B CG2 1 
ATOM   864  C CD1 . ILE B 1 45 ? 12.235 -11.795 -9.563  1.00 33.50 ? 45  ILE B CD1 1 
ATOM   865  N N   . LEU B 1 46 ? 13.933 -7.768  -6.835  1.00 28.21 ? 46  LEU B N   1 
ATOM   866  C CA  . LEU B 1 46 ? 14.794 -6.744  -6.280  1.00 31.06 ? 46  LEU B CA  1 
ATOM   867  C C   . LEU B 1 46 ? 16.251 -7.042  -6.613  1.00 34.46 ? 46  LEU B C   1 
ATOM   868  O O   . LEU B 1 46 ? 16.699 -8.174  -6.466  1.00 34.85 ? 46  LEU B O   1 
ATOM   869  C CB  . LEU B 1 46 ? 14.675 -6.777  -4.755  1.00 32.05 ? 46  LEU B CB  1 
ATOM   870  C CG  . LEU B 1 46 ? 13.438 -6.144  -4.131  1.00 33.22 ? 46  LEU B CG  1 
ATOM   871  C CD1 . LEU B 1 46 ? 13.588 -6.064  -2.616  1.00 34.10 ? 46  LEU B CD1 1 
ATOM   872  C CD2 . LEU B 1 46 ? 13.164 -4.760  -4.689  1.00 32.59 ? 46  LEU B CD2 1 
ATOM   873  N N   . ARG B 1 47 ? 16.987 -5.987  -6.993  1.00 35.83 ? 47  ARG B N   1 
ATOM   874  C CA  . ARG B 1 47 ? 18.437 -5.965  -7.060  1.00 38.35 ? 47  ARG B CA  1 
ATOM   875  C C   . ARG B 1 47 ? 18.958 -4.807  -6.204  1.00 41.43 ? 47  ARG B C   1 
ATOM   876  O O   . ARG B 1 47 ? 18.895 -3.651  -6.627  1.00 39.17 ? 47  ARG B O   1 
ATOM   877  C CB  . ARG B 1 47 ? 18.871 -5.672  -8.493  1.00 42.20 ? 47  ARG B CB  1 
ATOM   878  C CG  . ARG B 1 47 ? 18.218 -6.559  -9.537  1.00 45.28 ? 47  ARG B CG  1 
ATOM   879  C CD  . ARG B 1 47 ? 19.087 -6.390  -10.758 1.00 51.02 ? 47  ARG B CD  1 
ATOM   880  N NE  . ARG B 1 47 ? 20.425 -6.869  -10.446 1.00 56.98 ? 47  ARG B NE  1 
ATOM   881  C CZ  . ARG B 1 47 ? 21.494 -6.673  -11.209 1.00 60.34 ? 47  ARG B CZ  1 
ATOM   882  N NH1 . ARG B 1 47 ? 21.387 -5.962  -12.321 1.00 60.04 ? 47  ARG B NH1 1 
ATOM   883  N NH2 . ARG B 1 47 ? 22.666 -7.175  -10.841 1.00 61.50 ? 47  ARG B NH2 1 
ATOM   884  N N   . LEU B 1 48 ? 19.526 -5.144  -5.033  1.00 41.28 ? 48  LEU B N   1 
ATOM   885  C CA  . LEU B 1 48 ? 19.786 -4.184  -3.971  1.00 43.35 ? 48  LEU B CA  1 
ATOM   886  C C   . LEU B 1 48 ? 21.266 -3.819  -3.942  1.00 45.87 ? 48  LEU B C   1 
ATOM   887  O O   . LEU B 1 48 ? 22.089 -4.561  -3.403  1.00 48.75 ? 48  LEU B O   1 
ATOM   888  C CB  . LEU B 1 48 ? 19.347 -4.780  -2.630  1.00 42.33 ? 48  LEU B CB  1 
ATOM   889  C CG  . LEU B 1 48 ? 17.857 -5.115  -2.494  1.00 43.78 ? 48  LEU B CG  1 
ATOM   890  C CD1 . LEU B 1 48 ? 17.564 -5.870  -1.193  1.00 42.95 ? 48  LEU B CD1 1 
ATOM   891  C CD2 . LEU B 1 48 ? 16.993 -3.865  -2.602  1.00 40.82 ? 48  LEU B CD2 1 
ATOM   892  N N   . GLY B 1 49 ? 21.585 -2.662  -4.519  1.00 46.29 ? 49  GLY B N   1 
ATOM   893  C CA  . GLY B 1 49 ? 22.886 -2.049  -4.330  1.00 47.66 ? 49  GLY B CA  1 
ATOM   894  C C   . GLY B 1 49 ? 23.013 -1.474  -2.923  1.00 48.01 ? 49  GLY B C   1 
ATOM   895  O O   . GLY B 1 49 ? 24.112 -1.368  -2.384  1.00 50.48 ? 49  GLY B O   1 
ATOM   896  N N   . SER B 1 50 ? 21.870 -1.090  -2.345  1.00 43.85 ? 50  SER B N   1 
ATOM   897  C CA  . SER B 1 50 ? 21.802 -0.578  -0.990  1.00 42.50 ? 50  SER B CA  1 
ATOM   898  C C   . SER B 1 50 ? 20.557 -1.156  -0.333  1.00 39.02 ? 50  SER B C   1 
ATOM   899  O O   . SER B 1 50 ? 19.634 -1.552  -1.050  1.00 36.29 ? 50  SER B O   1 
ATOM   900  C CB  . SER B 1 50 ? 21.755 0.936   -0.997  1.00 43.98 ? 50  SER B CB  1 
ATOM   901  O OG  . SER B 1 50 ? 22.723 1.418   -1.905  1.00 45.07 ? 50  SER B OG  1 
ATOM   902  N N   . PRO B 1 51 ? 20.503 -1.206  1.021   1.00 38.62 ? 51  PRO B N   1 
ATOM   903  C CA  . PRO B 1 51 ? 19.384 -1.824  1.721   1.00 39.32 ? 51  PRO B CA  1 
ATOM   904  C C   . PRO B 1 51 ? 18.113 -1.003  1.508   1.00 37.83 ? 51  PRO B C   1 
ATOM   905  O O   . PRO B 1 51 ? 18.146 0.206   1.313   1.00 37.03 ? 51  PRO B O   1 
ATOM   906  C CB  . PRO B 1 51 ? 19.786 -1.806  3.201   1.00 39.62 ? 51  PRO B CB  1 
ATOM   907  C CG  . PRO B 1 51 ? 20.776 -0.661  3.301   1.00 41.33 ? 51  PRO B CG  1 
ATOM   908  C CD  . PRO B 1 51 ? 21.503 -0.675  1.964   1.00 40.61 ? 51  PRO B CD  1 
ATOM   909  N N   . LEU B 1 52 ? 17.006 -1.723  1.530   1.00 35.71 ? 52  LEU B N   1 
ATOM   910  C CA  . LEU B 1 52 ? 15.679 -1.163  1.393   1.00 36.15 ? 52  LEU B CA  1 
ATOM   911  C C   . LEU B 1 52 ? 14.940 -1.672  2.619   1.00 35.75 ? 52  LEU B C   1 
ATOM   912  O O   . LEU B 1 52 ? 15.193 -2.790  3.079   1.00 35.76 ? 52  LEU B O   1 
ATOM   913  C CB  . LEU B 1 52 ? 15.136 -1.815  0.123   1.00 39.15 ? 52  LEU B CB  1 
ATOM   914  C CG  . LEU B 1 52 ? 13.897 -1.207  -0.505  1.00 42.17 ? 52  LEU B CG  1 
ATOM   915  C CD1 . LEU B 1 52 ? 13.882 -1.519  -1.996  1.00 41.83 ? 52  LEU B CD1 1 
ATOM   916  C CD2 . LEU B 1 52 ? 12.662 -1.803  0.149   1.00 42.97 ? 52  LEU B CD2 1 
ATOM   917  N N   . SER B 1 53 ? 14.054 -0.852  3.163   1.00 30.76 ? 53  SER B N   1 
ATOM   918  C CA  . SER B 1 53 ? 13.115 -1.366  4.142   1.00 29.42 ? 53  SER B CA  1 
ATOM   919  C C   . SER B 1 53 ? 11.689 -1.017  3.711   1.00 29.89 ? 53  SER B C   1 
ATOM   920  O O   . SER B 1 53 ? 11.498 -0.108  2.901   1.00 28.64 ? 53  SER B O   1 
ATOM   921  C CB  . SER B 1 53 ? 13.443 -0.852  5.507   1.00 30.92 ? 53  SER B CB  1 
ATOM   922  O OG  . SER B 1 53 ? 12.993 0.479   5.653   1.00 31.46 ? 53  SER B OG  1 
ATOM   923  N N   . LEU B 1 54 ? 10.717 -1.800  4.212   1.00 28.01 ? 54  LEU B N   1 
ATOM   924  C CA  . LEU B 1 54 ? 9.294  -1.639  3.952   1.00 27.84 ? 54  LEU B CA  1 
ATOM   925  C C   . LEU B 1 54 ? 8.562  -1.554  5.283   1.00 27.71 ? 54  LEU B C   1 
ATOM   926  O O   . LEU B 1 54 ? 8.728  -2.429  6.148   1.00 27.90 ? 54  LEU B O   1 
ATOM   927  C CB  . LEU B 1 54 ? 8.783  -2.855  3.178   1.00 28.82 ? 54  LEU B CB  1 
ATOM   928  C CG  . LEU B 1 54 ? 7.266  -2.889  2.954   1.00 28.62 ? 54  LEU B CG  1 
ATOM   929  C CD1 . LEU B 1 54 ? 6.851  -1.749  2.049   1.00 28.13 ? 54  LEU B CD1 1 
ATOM   930  C CD2 . LEU B 1 54 ? 6.879  -4.198  2.278   1.00 29.21 ? 54  LEU B CD2 1 
ATOM   931  N N   . ASN B 1 55 ? 7.761  -0.492  5.444   1.00 25.17 ? 55  ASN B N   1 
ATOM   932  C CA  . ASN B 1 55 ? 6.958  -0.336  6.636   1.00 25.72 ? 55  ASN B CA  1 
ATOM   933  C C   . ASN B 1 55 ? 5.536  -0.077  6.153   1.00 25.64 ? 55  ASN B C   1 
ATOM   934  O O   . ASN B 1 55 ? 5.331  0.617   5.158   1.00 26.35 ? 55  ASN B O   1 
ATOM   935  C CB  . ASN B 1 55 ? 7.452  0.855   7.469   1.00 28.12 ? 55  ASN B CB  1 
ATOM   936  C CG  . ASN B 1 55 ? 8.675  0.575   8.324   1.00 31.85 ? 55  ASN B CG  1 
ATOM   937  O OD1 . ASN B 1 55 ? 8.532  0.181   9.486   1.00 35.97 ? 55  ASN B OD1 1 
ATOM   938  N ND2 . ASN B 1 55 ? 9.859  0.848   7.802   1.00 29.38 ? 55  ASN B ND2 1 
ATOM   939  N N   . MET B 1 56 ? 4.563  -0.638  6.853   1.00 24.51 ? 56  MET B N   1 
ATOM   940  C CA  . MET B 1 56 ? 3.188  -0.241  6.706   1.00 24.69 ? 56  MET B CA  1 
ATOM   941  C C   . MET B 1 56 ? 2.936  0.952   7.627   1.00 24.40 ? 56  MET B C   1 
ATOM   942  O O   . MET B 1 56 ? 3.369  0.965   8.787   1.00 23.33 ? 56  MET B O   1 
ATOM   943  C CB  . MET B 1 56 ? 2.317  -1.417  7.141   1.00 30.30 ? 56  MET B CB  1 
ATOM   944  C CG  . MET B 1 56 ? 0.854  -1.055  7.182   1.00 35.37 ? 56  MET B CG  1 
ATOM   945  S SD  . MET B 1 56 ? 0.256  -0.613  5.552   1.00 42.51 ? 56  MET B SD  1 
ATOM   946  C CE  . MET B 1 56 ? 0.734  -2.083  4.618   1.00 37.14 ? 56  MET B CE  1 
ATOM   947  N N   . ALA B 1 57 ? 2.242  1.977   7.103   1.00 23.49 ? 57  ALA B N   1 
ATOM   948  C CA  . ALA B 1 57 ? 1.938  3.174   7.879   1.00 23.65 ? 57  ALA B CA  1 
ATOM   949  C C   . ALA B 1 57 ? 0.419  3.346   7.969   1.00 25.24 ? 57  ALA B C   1 
ATOM   950  O O   . ALA B 1 57 ? -0.310 3.110   6.985   1.00 22.83 ? 57  ALA B O   1 
ATOM   951  C CB  . ALA B 1 57 ? 2.577  4.364   7.224   1.00 24.83 ? 57  ALA B CB  1 
ATOM   952  N N   . ARG B 1 58 ? -0.034 3.703   9.171   1.00 27.39 ? 58  ARG B N   1 
ATOM   953  C CA  . ARG B 1 58 ? -1.430 3.988   9.455   1.00 32.32 ? 58  ARG B CA  1 
ATOM   954  C C   . ARG B 1 58 ? -1.477 5.265   10.279  1.00 31.52 ? 58  ARG B C   1 
ATOM   955  O O   . ARG B 1 58 ? -0.829 5.351   11.319  1.00 31.45 ? 58  ARG B O   1 
ATOM   956  C CB  . ARG B 1 58 ? -2.040 2.895   10.333  1.00 38.73 ? 58  ARG B CB  1 
ATOM   957  C CG  . ARG B 1 58 ? -2.917 1.914   9.571   1.00 47.19 ? 58  ARG B CG  1 
ATOM   958  C CD  . ARG B 1 58 ? -3.454 0.826   10.499  1.00 54.56 ? 58  ARG B CD  1 
ATOM   959  N NE  . ARG B 1 58 ? -2.298 -0.006  10.858  1.00 61.20 ? 58  ARG B NE  1 
ATOM   960  C CZ  . ARG B 1 58 ? -1.761 -0.948  10.065  1.00 64.90 ? 58  ARG B CZ  1 
ATOM   961  N NH1 . ARG B 1 58 ? -2.298 -1.216  8.885   1.00 66.49 ? 58  ARG B NH1 1 
ATOM   962  N NH2 . ARG B 1 58 ? -0.704 -1.645  10.456  1.00 65.63 ? 58  ARG B NH2 1 
ATOM   963  N N   . LYS B 1 59 ? -2.236 6.263   9.811   1.00 31.98 ? 59  LYS B N   1 
ATOM   964  C CA  . LYS B 1 59 ? -2.515 7.409   10.666  1.00 32.89 ? 59  LYS B CA  1 
ATOM   965  C C   . LYS B 1 59 ? -3.394 6.929   11.818  1.00 35.18 ? 59  LYS B C   1 
ATOM   966  O O   . LYS B 1 59 ? -4.443 6.336   11.605  1.00 37.12 ? 59  LYS B O   1 
ATOM   967  C CB  . LYS B 1 59 ? -3.179 8.510   9.845   1.00 34.04 ? 59  LYS B CB  1 
ATOM   968  C CG  . LYS B 1 59 ? -3.144 9.894   10.471  1.00 35.02 ? 59  LYS B CG  1 
ATOM   969  C CD  . LYS B 1 59 ? -3.503 10.956  9.457   1.00 35.72 ? 59  LYS B CD  1 
ATOM   970  C CE  . LYS B 1 59 ? -5.006 11.001  9.266   1.00 39.41 ? 59  LYS B CE  1 
ATOM   971  N NZ  . LYS B 1 59 ? -5.428 12.247  8.587   1.00 41.44 ? 59  LYS B NZ  1 
ATOM   972  N N   . THR B 1 60 ? -2.924 7.094   13.048  1.00 36.36 ? 60  THR B N   1 
ATOM   973  C CA  . THR B 1 60 ? -3.671 6.515   14.151  1.00 39.52 ? 60  THR B CA  1 
ATOM   974  C C   . THR B 1 60 ? -4.357 7.626   14.930  1.00 41.85 ? 60  THR B C   1 
ATOM   975  O O   . THR B 1 60 ? -5.184 7.354   15.809  1.00 45.15 ? 60  THR B O   1 
ATOM   976  C CB  . THR B 1 60 ? -2.754 5.732   15.095  1.00 41.12 ? 60  THR B CB  1 
ATOM   977  O OG1 . THR B 1 60 ? -1.600 6.556   15.303  1.00 40.36 ? 60  THR B OG1 1 
ATOM   978  C CG2 . THR B 1 60 ? -2.407 4.357   14.562  1.00 37.89 ? 60  THR B CG2 1 
ATOM   979  N N   . LEU B 1 61 ? -3.941 8.854   14.628  1.00 39.03 ? 61  LEU B N   1 
ATOM   980  C CA  . LEU B 1 61 ? -4.418 10.043  15.309  1.00 41.53 ? 61  LEU B CA  1 
ATOM   981  C C   . LEU B 1 61 ? -4.353 11.195  14.316  1.00 40.69 ? 61  LEU B C   1 
ATOM   982  O O   . LEU B 1 61 ? -3.333 11.414  13.675  1.00 38.85 ? 61  LEU B O   1 
ATOM   983  C CB  . LEU B 1 61 ? -3.520 10.360  16.507  1.00 40.54 ? 61  LEU B CB  1 
ATOM   984  N N   . ASN B 1 62 ? -5.457 11.935  14.263  1.00 41.86 ? 62  ASN B N   1 
ATOM   985  C CA  . ASN B 1 62 ? -5.511 13.207  13.596  1.00 43.43 ? 62  ASN B CA  1 
ATOM   986  C C   . ASN B 1 62 ? -6.441 14.065  14.449  1.00 47.83 ? 62  ASN B C   1 
ATOM   987  O O   . ASN B 1 62 ? -7.651 13.827  14.468  1.00 45.88 ? 62  ASN B O   1 
ATOM   988  C CB  . ASN B 1 62 ? -6.041 13.042  12.177  1.00 42.42 ? 62  ASN B CB  1 
ATOM   989  C CG  . ASN B 1 62 ? -5.806 14.286  11.346  1.00 43.23 ? 62  ASN B CG  1 
ATOM   990  O OD1 . ASN B 1 62 ? -5.693 14.189  10.132  1.00 43.10 ? 62  ASN B OD1 1 
ATOM   991  N ND2 . ASN B 1 62 ? -5.690 15.444  11.993  1.00 45.56 ? 62  ASN B ND2 1 
ATOM   992  N N   . SER B 1 63 ? -5.815 14.954  15.242  1.00 51.11 ? 63  SER B N   1 
ATOM   993  C CA  . SER B 1 63 ? -6.448 16.008  16.026  1.00 52.51 ? 63  SER B CA  1 
ATOM   994  C C   . SER B 1 63 ? -6.163 17.340  15.334  1.00 54.49 ? 63  SER B C   1 
ATOM   995  O O   . SER B 1 63 ? -5.443 17.373  14.342  1.00 56.04 ? 63  SER B O   1 
ATOM   996  C CB  . SER B 1 63 ? -5.927 16.003  17.447  1.00 53.47 ? 63  SER B CB  1 
ATOM   997  O OG  . SER B 1 63 ? -4.668 16.664  17.547  1.00 52.82 ? 63  SER B OG  1 
ATOM   998  N N   . LEU B 1 64 ? -6.733 18.439  15.840  1.00 58.67 ? 64  LEU B N   1 
ATOM   999  C CA  . LEU B 1 64 ? -6.455 19.754  15.274  1.00 59.27 ? 64  LEU B CA  1 
ATOM   1000 C C   . LEU B 1 64 ? -4.963 20.076  15.418  1.00 60.96 ? 64  LEU B C   1 
ATOM   1001 O O   . LEU B 1 64 ? -4.414 20.806  14.597  1.00 64.03 ? 64  LEU B O   1 
ATOM   1002 C CB  . LEU B 1 64 ? -7.331 20.815  15.963  1.00 59.00 ? 64  LEU B CB  1 
ATOM   1003 C CG  . LEU B 1 64 ? -8.847 20.629  15.856  1.00 57.58 ? 64  LEU B CG  1 
ATOM   1004 C CD1 . LEU B 1 64 ? -9.564 21.279  17.034  1.00 58.19 ? 64  LEU B CD1 1 
ATOM   1005 C CD2 . LEU B 1 64 ? -9.380 21.158  14.527  1.00 55.28 ? 64  LEU B CD2 1 
ATOM   1006 N N   . GLU B 1 65 ? -4.307 19.483  16.433  1.00 59.84 ? 65  GLU B N   1 
ATOM   1007 C CA  . GLU B 1 65 ? -2.965 19.860  16.874  1.00 58.15 ? 65  GLU B CA  1 
ATOM   1008 C C   . GLU B 1 65 ? -1.877 19.146  16.066  1.00 55.26 ? 65  GLU B C   1 
ATOM   1009 O O   . GLU B 1 65 ? -0.855 19.735  15.724  1.00 56.43 ? 65  GLU B O   1 
ATOM   1010 C CB  . GLU B 1 65 ? -2.782 19.569  18.371  1.00 58.33 ? 65  GLU B CB  1 
ATOM   1011 N N   . ASP B 1 66 ? -2.089 17.861  15.782  1.00 52.54 ? 66  ASP B N   1 
ATOM   1012 C CA  . ASP B 1 66 ? -0.974 17.003  15.420  1.00 45.21 ? 66  ASP B CA  1 
ATOM   1013 C C   . ASP B 1 66 ? -1.513 15.775  14.699  1.00 41.04 ? 66  ASP B C   1 
ATOM   1014 O O   . ASP B 1 66 ? -2.705 15.469  14.750  1.00 39.05 ? 66  ASP B O   1 
ATOM   1015 C CB  . ASP B 1 66 ? -0.139 16.639  16.656  1.00 47.28 ? 66  ASP B CB  1 
ATOM   1016 N N   . LYS B 1 67 ? -0.595 15.085  14.027  1.00 36.91 ? 67  LYS B N   1 
ATOM   1017 C CA  . LYS B 1 67 ? -0.902 13.809  13.432  1.00 34.86 ? 67  LYS B CA  1 
ATOM   1018 C C   . LYS B 1 67 ? 0.109  12.820  13.985  1.00 32.98 ? 67  LYS B C   1 
ATOM   1019 O O   . LYS B 1 67 ? 1.243  13.194  14.278  1.00 33.81 ? 67  LYS B O   1 
ATOM   1020 C CB  . LYS B 1 67 ? -0.801 13.916  11.909  1.00 33.38 ? 67  LYS B CB  1 
ATOM   1021 C CG  . LYS B 1 67 ? -1.841 14.832  11.266  1.00 33.06 ? 67  LYS B CG  1 
ATOM   1022 C CD  . LYS B 1 67 ? -1.921 14.574  9.772   1.00 32.52 ? 67  LYS B CD  1 
ATOM   1023 C CE  . LYS B 1 67 ? -2.767 15.609  9.097   1.00 34.20 ? 67  LYS B CE  1 
ATOM   1024 N NZ  . LYS B 1 67 ? -2.319 16.965  9.483   1.00 34.37 ? 67  LYS B NZ  1 
ATOM   1025 N N   . ALA B 1 68 ? -0.324 11.572  14.102  1.00 31.79 ? 68  ALA B N   1 
ATOM   1026 C CA  . ALA B 1 68 ? 0.614  10.502  14.414  1.00 30.11 ? 68  ALA B CA  1 
ATOM   1027 C C   . ALA B 1 68 ? 0.383  9.373   13.426  1.00 28.93 ? 68  ALA B C   1 
ATOM   1028 O O   . ALA B 1 68 ? -0.748 9.112   13.031  1.00 28.27 ? 68  ALA B O   1 
ATOM   1029 C CB  . ALA B 1 68 ? 0.409  10.061  15.845  1.00 32.50 ? 68  ALA B CB  1 
ATOM   1030 N N   . PHE B 1 69 ? 1.482  8.712   13.055  1.00 27.72 ? 69  PHE B N   1 
ATOM   1031 C CA  . PHE B 1 69 ? 1.482  7.611   12.121  1.00 28.20 ? 69  PHE B CA  1 
ATOM   1032 C C   . PHE B 1 69 ? 2.162  6.431   12.812  1.00 29.75 ? 69  PHE B C   1 
ATOM   1033 O O   . PHE B 1 69 ? 3.271  6.601   13.316  1.00 31.40 ? 69  PHE B O   1 
ATOM   1034 C CB  . PHE B 1 69 ? 2.297  8.056   10.908  1.00 26.56 ? 69  PHE B CB  1 
ATOM   1035 C CG  . PHE B 1 69 ? 1.626  9.167   10.123  1.00 25.34 ? 69  PHE B CG  1 
ATOM   1036 C CD1 . PHE B 1 69 ? 1.857  10.497  10.434  1.00 26.72 ? 69  PHE B CD1 1 
ATOM   1037 C CD2 . PHE B 1 69 ? 0.706  8.879   9.123   1.00 25.43 ? 69  PHE B CD2 1 
ATOM   1038 C CE1 . PHE B 1 69 ? 1.200  11.518  9.732   1.00 26.70 ? 69  PHE B CE1 1 
ATOM   1039 C CE2 . PHE B 1 69 ? 0.057  9.879   8.394   1.00 25.07 ? 69  PHE B CE2 1 
ATOM   1040 C CZ  . PHE B 1 69 ? 0.305  11.205  8.714   1.00 26.27 ? 69  PHE B CZ  1 
ATOM   1041 N N   . GLN B 1 70 ? 1.480  5.284   12.893  1.00 29.73 ? 70  GLN B N   1 
ATOM   1042 C CA  . GLN B 1 70 ? 2.123  4.073   13.387  1.00 32.67 ? 70  GLN B CA  1 
ATOM   1043 C C   . GLN B 1 70 ? 2.777  3.354   12.208  1.00 31.08 ? 70  GLN B C   1 
ATOM   1044 O O   . GLN B 1 70 ? 2.101  3.045   11.224  1.00 27.81 ? 70  GLN B O   1 
ATOM   1045 C CB  . GLN B 1 70 ? 1.094  3.144   14.025  1.00 36.67 ? 70  GLN B CB  1 
ATOM   1046 C CG  . GLN B 1 70 ? 1.761  1.987   14.754  1.00 40.80 ? 70  GLN B CG  1 
ATOM   1047 C CD  . GLN B 1 70 ? 0.894  0.760   14.755  1.00 44.78 ? 70  GLN B CD  1 
ATOM   1048 O OE1 . GLN B 1 70 ? 0.478  0.282   15.808  1.00 48.52 ? 70  GLN B OE1 1 
ATOM   1049 N NE2 . GLN B 1 70 ? 0.634  0.238   13.571  1.00 46.58 ? 70  GLN B NE2 1 
ATOM   1050 N N   . LEU B 1 71 ? 4.098  3.113   12.314  1.00 30.82 ? 71  LEU B N   1 
ATOM   1051 C CA  . LEU B 1 71 ? 4.858  2.410   11.292  1.00 31.88 ? 71  LEU B CA  1 
ATOM   1052 C C   . LEU B 1 71 ? 5.199  1.018   11.799  1.00 33.00 ? 71  LEU B C   1 
ATOM   1053 O O   . LEU B 1 71 ? 5.664  0.853   12.925  1.00 34.50 ? 71  LEU B O   1 
ATOM   1054 C CB  . LEU B 1 71 ? 6.078  3.194   10.796  1.00 33.60 ? 71  LEU B CB  1 
ATOM   1055 C CG  . LEU B 1 71 ? 5.763  3.949   9.500   1.00 37.21 ? 71  LEU B CG  1 
ATOM   1056 C CD1 . LEU B 1 71 ? 4.806  5.102   9.792   1.00 38.78 ? 71  LEU B CD1 1 
ATOM   1057 C CD2 . LEU B 1 71 ? 7.002  4.459   8.777   1.00 36.99 ? 71  LEU B CD2 1 
ATOM   1058 N N   . THR B 1 72 ? 4.863  0.031   10.988  1.00 31.51 ? 72  THR B N   1 
ATOM   1059 C CA  . THR B 1 72 ? 5.116  -1.347  11.373  1.00 36.95 ? 72  THR B CA  1 
ATOM   1060 C C   . THR B 1 72 ? 6.007  -2.002  10.323  1.00 35.97 ? 72  THR B C   1 
ATOM   1061 O O   . THR B 1 72 ? 5.682  -2.020  9.142   1.00 30.96 ? 72  THR B O   1 
ATOM   1062 C CB  . THR B 1 72 ? 3.824  -2.077  11.772  1.00 39.53 ? 72  THR B CB  1 
ATOM   1063 O OG1 . THR B 1 72 ? 2.879  -2.043  10.711  1.00 44.65 ? 72  THR B OG1 1 
ATOM   1064 C CG2 . THR B 1 72 ? 3.144  -1.462  12.970  1.00 42.56 ? 72  THR B CG2 1 
ATOM   1065 N N   . PRO B 1 73 ? 7.198  -2.488  10.732  1.00 40.46 ? 73  PRO B N   1 
ATOM   1066 C CA  . PRO B 1 73 ? 8.143  -3.106  9.806   1.00 41.00 ? 73  PRO B CA  1 
ATOM   1067 C C   . PRO B 1 73 ? 7.440  -4.313  9.200   1.00 40.87 ? 73  PRO B C   1 
ATOM   1068 O O   . PRO B 1 73 ? 6.691  -4.991  9.884   1.00 39.66 ? 73  PRO B O   1 
ATOM   1069 C CB  . PRO B 1 73 ? 9.234  -3.650  10.736  1.00 44.15 ? 73  PRO B CB  1 
ATOM   1070 C CG  . PRO B 1 73 ? 9.155  -2.770  11.954  1.00 45.06 ? 73  PRO B CG  1 
ATOM   1071 C CD  . PRO B 1 73 ? 7.677  -2.487  12.129  1.00 43.06 ? 73  PRO B CD  1 
ATOM   1072 N N   . ILE B 1 74 ? 7.609  -4.498  7.894   1.00 40.21 ? 74  ILE B N   1 
ATOM   1073 C CA  . ILE B 1 74 ? 7.421  -5.775  7.230   1.00 42.73 ? 74  ILE B CA  1 
ATOM   1074 C C   . ILE B 1 74 ? 8.815  -6.304  6.863   1.00 45.20 ? 74  ILE B C   1 
ATOM   1075 O O   . ILE B 1 74 ? 9.594  -5.634  6.180   1.00 44.37 ? 74  ILE B O   1 
ATOM   1076 C CB  . ILE B 1 74 ? 6.480  -5.617  6.023   1.00 41.17 ? 74  ILE B CB  1 
ATOM   1077 C CG1 . ILE B 1 74 ? 5.178  -4.936  6.445   1.00 41.92 ? 74  ILE B CG1 1 
ATOM   1078 C CG2 . ILE B 1 74 ? 6.214  -6.967  5.365   1.00 39.78 ? 74  ILE B CG2 1 
ATOM   1079 C CD1 . ILE B 1 74 ? 4.548  -4.099  5.357   1.00 44.05 ? 74  ILE B CD1 1 
ATOM   1080 N N   . ALA B 1 75 ? 9.180  -7.448  7.455   1.00 47.20 ? 75  ALA B N   1 
ATOM   1081 C CA  . ALA B 1 75 ? 10.368 -8.192  7.060   1.00 47.80 ? 75  ALA B CA  1 
ATOM   1082 C C   . ALA B 1 75 ? 9.916  -9.164  5.981   1.00 49.21 ? 75  ALA B C   1 
ATOM   1083 O O   . ALA B 1 75 ? 9.292  -10.173 6.270   1.00 54.21 ? 75  ALA B O   1 
ATOM   1084 C CB  . ALA B 1 75 ? 10.947 -8.906  8.259   1.00 48.44 ? 75  ALA B CB  1 
ATOM   1085 N N   . VAL B 1 76 ? 10.156 -8.821  4.724   1.00 48.02 ? 76  VAL B N   1 
ATOM   1086 C CA  . VAL B 1 76 ? 9.490  -9.567  3.672   1.00 45.04 ? 76  VAL B CA  1 
ATOM   1087 C C   . VAL B 1 76 ? 10.421 -10.709 3.276   1.00 44.43 ? 76  VAL B C   1 
ATOM   1088 O O   . VAL B 1 76 ? 11.636 -10.540 3.299   1.00 43.88 ? 76  VAL B O   1 
ATOM   1089 C CB  . VAL B 1 76 ? 9.065  -8.642  2.507   1.00 43.32 ? 76  VAL B CB  1 
ATOM   1090 C CG1 . VAL B 1 76 ? 8.770  -7.221  2.986   1.00 40.38 ? 76  VAL B CG1 1 
ATOM   1091 C CG2 . VAL B 1 76 ? 10.062 -8.613  1.361   1.00 41.12 ? 76  VAL B CG2 1 
ATOM   1092 N N   . GLN B 1 77 ? 9.860  -11.886 3.002   1.00 44.77 ? 77  GLN B N   1 
ATOM   1093 C CA  . GLN B 1 77 ? 10.716 -12.997 2.616   1.00 50.58 ? 77  GLN B CA  1 
ATOM   1094 C C   . GLN B 1 77 ? 11.168 -12.755 1.175   1.00 49.69 ? 77  GLN B C   1 
ATOM   1095 O O   . GLN B 1 77 ? 10.367 -12.294 0.364   1.00 45.81 ? 77  GLN B O   1 
ATOM   1096 C CB  . GLN B 1 77 ? 9.967  -14.317 2.770   1.00 54.75 ? 77  GLN B CB  1 
ATOM   1097 C CG  . GLN B 1 77 ? 10.742 -15.533 2.273   1.00 65.45 ? 77  GLN B CG  1 
ATOM   1098 C CD  . GLN B 1 77 ? 11.924 -15.902 3.142   1.00 72.92 ? 77  GLN B CD  1 
ATOM   1099 O OE1 . GLN B 1 77 ? 12.902 -15.151 3.242   1.00 75.83 ? 77  GLN B OE1 1 
ATOM   1100 N NE2 . GLN B 1 77 ? 11.849 -17.073 3.766   1.00 73.19 ? 77  GLN B NE2 1 
ATOM   1101 N N   . MET B 1 78 ? 12.464 -12.997 0.913   1.00 50.46 ? 78  MET B N   1 
ATOM   1102 C CA  . MET B 1 78 ? 13.054 -12.936 -0.418  1.00 52.29 ? 78  MET B CA  1 
ATOM   1103 C C   . MET B 1 78 ? 13.873 -14.197 -0.670  1.00 51.66 ? 78  MET B C   1 
ATOM   1104 O O   . MET B 1 78 ? 14.410 -14.787 0.258   1.00 50.59 ? 78  MET B O   1 
ATOM   1105 C CB  . MET B 1 78 ? 14.003 -11.747 -0.539  1.00 52.21 ? 78  MET B CB  1 
ATOM   1106 C CG  . MET B 1 78 ? 13.294 -10.419 -0.489  1.00 55.37 ? 78  MET B CG  1 
ATOM   1107 S SD  . MET B 1 78 ? 14.474 -9.104  -0.216  1.00 58.62 ? 78  MET B SD  1 
ATOM   1108 C CE  . MET B 1 78 ? 14.478 -8.973  1.574   1.00 60.00 ? 78  MET B CE  1 
ATOM   1109 N N   . THR B 1 79 ? 14.017 -14.554 -1.949  1.00 49.99 ? 79  THR B N   1 
ATOM   1110 C CA  . THR B 1 79 ? 14.827 -15.677 -2.372  1.00 50.30 ? 79  THR B CA  1 
ATOM   1111 C C   . THR B 1 79 ? 15.776 -15.231 -3.479  1.00 44.97 ? 79  THR B C   1 
ATOM   1112 O O   . THR B 1 79 ? 15.315 -14.731 -4.501  1.00 44.50 ? 79  THR B O   1 
ATOM   1113 C CB  . THR B 1 79 ? 13.913 -16.812 -2.853  1.00 54.53 ? 79  THR B CB  1 
ATOM   1114 O OG1 . THR B 1 79 ? 13.002 -17.059 -1.783  1.00 59.08 ? 79  THR B OG1 1 
ATOM   1115 C CG2 . THR B 1 79 ? 14.663 -18.084 -3.183  1.00 57.81 ? 79  THR B CG2 1 
ATOM   1116 N N   . LYS B 1 80 ? 17.087 -15.460 -3.297  1.00 42.82 ? 80  LYS B N   1 
ATOM   1117 C CA  . LYS B 1 80 ? 18.040 -15.304 -4.388  1.00 44.85 ? 80  LYS B CA  1 
ATOM   1118 C C   . LYS B 1 80 ? 17.704 -16.318 -5.482  1.00 44.20 ? 80  LYS B C   1 
ATOM   1119 O O   . LYS B 1 80 ? 17.510 -17.488 -5.206  1.00 44.09 ? 80  LYS B O   1 
ATOM   1120 C CB  . LYS B 1 80 ? 19.492 -15.411 -3.916  1.00 46.69 ? 80  LYS B CB  1 
ATOM   1121 C CG  . LYS B 1 80 ? 19.749 -14.862 -2.524  1.00 52.23 ? 80  LYS B CG  1 
ATOM   1122 C CD  . LYS B 1 80 ? 21.222 -14.839 -2.130  1.00 57.77 ? 80  LYS B CD  1 
ATOM   1123 C CE  . LYS B 1 80 ? 21.534 -15.560 -0.833  1.00 57.42 ? 80  LYS B CE  1 
ATOM   1124 N NZ  . LYS B 1 80 ? 20.790 -15.017 0.331   1.00 58.48 ? 80  LYS B NZ  1 
ATOM   1125 N N   . LEU B 1 81 ? 17.551 -15.846 -6.723  1.00 44.43 ? 81  LEU B N   1 
ATOM   1126 C CA  . LEU B 1 81 ? 17.230 -16.767 -7.803  1.00 47.26 ? 81  LEU B CA  1 
ATOM   1127 C C   . LEU B 1 81 ? 18.511 -17.419 -8.296  1.00 46.97 ? 81  LEU B C   1 
ATOM   1128 O O   . LEU B 1 81 ? 19.554 -16.778 -8.295  1.00 48.35 ? 81  LEU B O   1 
ATOM   1129 C CB  . LEU B 1 81 ? 16.483 -16.030 -8.921  1.00 45.49 ? 81  LEU B CB  1 
ATOM   1130 C CG  . LEU B 1 81 ? 15.095 -15.533 -8.516  1.00 46.14 ? 81  LEU B CG  1 
ATOM   1131 C CD1 . LEU B 1 81 ? 14.272 -15.185 -9.736  1.00 46.93 ? 81  LEU B CD1 1 
ATOM   1132 C CD2 . LEU B 1 81 ? 14.365 -16.577 -7.669  1.00 44.77 ? 81  LEU B CD2 1 
ATOM   1133 N N   . ALA B 1 82 ? 18.417 -18.693 -8.678  1.00 48.74 ? 82  ALA B N   1 
ATOM   1134 C CA  . ALA B 1 82 ? 19.583 -19.417 -9.146  1.00 53.08 ? 82  ALA B CA  1 
ATOM   1135 C C   . ALA B 1 82 ? 19.386 -19.873 -10.594 1.00 54.84 ? 82  ALA B C   1 
ATOM   1136 O O   . ALA B 1 82 ? 20.369 -20.039 -11.315 1.00 59.74 ? 82  ALA B O   1 
ATOM   1137 C CB  . ALA B 1 82 ? 19.852 -20.575 -8.223  1.00 54.29 ? 82  ALA B CB  1 
ATOM   1138 N N   . THR B 1 83 ? 18.121 -20.067 -11.005 1.00 54.66 ? 83  THR B N   1 
ATOM   1139 C CA  . THR B 1 83 ? 17.740 -20.425 -12.372 1.00 56.22 ? 83  THR B CA  1 
ATOM   1140 C C   . THR B 1 83 ? 16.718 -19.437 -12.941 1.00 53.26 ? 83  THR B C   1 
ATOM   1141 O O   . THR B 1 83 ? 15.871 -18.910 -12.217 1.00 51.48 ? 83  THR B O   1 
ATOM   1142 C CB  . THR B 1 83 ? 17.114 -21.825 -12.422 1.00 59.33 ? 83  THR B CB  1 
ATOM   1143 O OG1 . THR B 1 83 ? 16.699 -22.165 -11.098 1.00 63.27 ? 83  THR B OG1 1 
ATOM   1144 C CG2 . THR B 1 83 ? 18.089 -22.886 -12.879 1.00 65.08 ? 83  THR B CG2 1 
ATOM   1145 N N   . THR B 1 84 ? 16.777 -19.221 -14.263 1.00 51.24 ? 84  THR B N   1 
ATOM   1146 C CA  . THR B 1 84 ? 15.839 -18.335 -14.927 1.00 50.83 ? 84  THR B CA  1 
ATOM   1147 C C   . THR B 1 84 ? 14.447 -18.972 -14.945 1.00 48.80 ? 84  THR B C   1 
ATOM   1148 O O   . THR B 1 84 ? 13.458 -18.306 -15.222 1.00 46.03 ? 84  THR B O   1 
ATOM   1149 C CB  . THR B 1 84 ? 16.405 -17.869 -16.279 1.00 53.29 ? 84  THR B CB  1 
ATOM   1150 O OG1 . THR B 1 84 ? 15.293 -17.531 -17.102 1.00 58.11 ? 84  THR B OG1 1 
ATOM   1151 C CG2 . THR B 1 84 ? 17.256 -18.916 -16.964 1.00 53.53 ? 84  THR B CG2 1 
ATOM   1152 N N   . GLU B 1 85 ? 14.371 -20.271 -14.625 1.00 49.99 ? 85  GLU B N   1 
ATOM   1153 C CA  . GLU B 1 85 ? 13.105 -20.989 -14.619 1.00 50.97 ? 85  GLU B CA  1 
ATOM   1154 C C   . GLU B 1 85 ? 12.251 -20.557 -13.423 1.00 53.96 ? 85  GLU B C   1 
ATOM   1155 O O   . GLU B 1 85 ? 11.028 -20.684 -13.431 1.00 57.18 ? 85  GLU B O   1 
ATOM   1156 C CB  . GLU B 1 85 ? 13.373 -22.497 -14.652 1.00 52.07 ? 85  GLU B CB  1 
ATOM   1157 N N   . GLU B 1 86 ? 12.912 -20.023 -12.391 1.00 53.82 ? 86  GLU B N   1 
ATOM   1158 C CA  . GLU B 1 86 ? 12.263 -19.527 -11.184 1.00 53.20 ? 86  GLU B CA  1 
ATOM   1159 C C   . GLU B 1 86 ? 11.609 -18.170 -11.455 1.00 51.11 ? 86  GLU B C   1 
ATOM   1160 O O   . GLU B 1 86 ? 10.803 -17.699 -10.657 1.00 51.95 ? 86  GLU B O   1 
ATOM   1161 C CB  . GLU B 1 86 ? 13.303 -19.420 -10.070 1.00 54.97 ? 86  GLU B CB  1 
ATOM   1162 C CG  . GLU B 1 86 ? 13.839 -20.755 -9.575  1.00 59.71 ? 86  GLU B CG  1 
ATOM   1163 C CD  . GLU B 1 86 ? 14.835 -20.535 -8.448  1.00 64.37 ? 86  GLU B CD  1 
ATOM   1164 O OE1 . GLU B 1 86 ? 16.042 -20.398 -8.739  1.00 68.89 ? 86  GLU B OE1 1 
ATOM   1165 O OE2 . GLU B 1 86 ? 14.398 -20.437 -7.287  1.00 67.84 ? 86  GLU B OE2 1 
ATOM   1166 N N   . LEU B 1 87 ? 11.955 -17.553 -12.593 1.00 50.29 ? 87  LEU B N   1 
ATOM   1167 C CA  . LEU B 1 87 ? 11.414 -16.257 -12.985 1.00 46.16 ? 87  LEU B CA  1 
ATOM   1168 C C   . LEU B 1 87 ? 9.984  -16.419 -13.483 1.00 45.97 ? 87  LEU B C   1 
ATOM   1169 O O   . LEU B 1 87 ? 9.696  -17.320 -14.261 1.00 51.04 ? 87  LEU B O   1 
ATOM   1170 C CB  . LEU B 1 87 ? 12.304 -15.636 -14.055 1.00 43.50 ? 87  LEU B CB  1 
ATOM   1171 C CG  . LEU B 1 87 ? 13.591 -14.995 -13.539 1.00 43.57 ? 87  LEU B CG  1 
ATOM   1172 C CD1 . LEU B 1 87 ? 14.347 -14.356 -14.692 1.00 42.86 ? 87  LEU B CD1 1 
ATOM   1173 C CD2 . LEU B 1 87 ? 13.289 -13.942 -12.482 1.00 43.04 ? 87  LEU B CD2 1 
ATOM   1174 N N   . PRO B 1 88 ? 9.035  -15.571 -13.019 1.00 45.10 ? 88  PRO B N   1 
ATOM   1175 C CA  . PRO B 1 88 ? 7.652  -15.621 -13.502 1.00 43.08 ? 88  PRO B CA  1 
ATOM   1176 C C   . PRO B 1 88 ? 7.639  -15.162 -14.958 1.00 41.57 ? 88  PRO B C   1 
ATOM   1177 O O   . PRO B 1 88 ? 8.599  -14.546 -15.420 1.00 38.23 ? 88  PRO B O   1 
ATOM   1178 C CB  . PRO B 1 88 ? 6.964  -14.540 -12.656 1.00 41.51 ? 88  PRO B CB  1 
ATOM   1179 C CG  . PRO B 1 88 ? 7.860  -14.387 -11.455 1.00 42.82 ? 88  PRO B CG  1 
ATOM   1180 C CD  . PRO B 1 88 ? 9.258  -14.517 -12.015 1.00 42.44 ? 88  PRO B CD  1 
ATOM   1181 N N   . ASP B 1 89 ? 6.521  -15.420 -15.644 1.00 40.36 ? 89  ASP B N   1 
ATOM   1182 C CA  . ASP B 1 89 ? 6.290  -14.985 -17.013 1.00 39.41 ? 89  ASP B CA  1 
ATOM   1183 C C   . ASP B 1 89 ? 6.351  -13.458 -17.109 1.00 36.03 ? 89  ASP B C   1 
ATOM   1184 O O   . ASP B 1 89 ? 6.791  -12.922 -18.120 1.00 33.79 ? 89  ASP B O   1 
ATOM   1185 C CB  . ASP B 1 89 ? 4.919  -15.464 -17.495 1.00 42.93 ? 89  ASP B CB  1 
ATOM   1186 C CG  . ASP B 1 89 ? 4.844  -16.974 -17.718 1.00 48.39 ? 89  ASP B CG  1 
ATOM   1187 O OD1 . ASP B 1 89 ? 3.756  -17.453 -18.125 1.00 49.86 ? 89  ASP B OD1 1 
ATOM   1188 O OD2 . ASP B 1 89 ? 5.872  -17.657 -17.497 1.00 47.43 ? 89  ASP B OD2 1 
ATOM   1189 N N   . GLU B 1 90 ? 5.875  -12.753 -16.073 1.00 35.82 ? 90  GLU B N   1 
ATOM   1190 C CA  . GLU B 1 90 ? 5.955  -11.294 -16.099 1.00 35.13 ? 90  GLU B CA  1 
ATOM   1191 C C   . GLU B 1 90 ? 6.230  -10.797 -14.696 1.00 32.12 ? 90  GLU B C   1 
ATOM   1192 O O   . GLU B 1 90 ? 5.741  -11.379 -13.727 1.00 31.58 ? 90  GLU B O   1 
ATOM   1193 C CB  . GLU B 1 90 ? 4.636  -10.637 -16.482 1.00 38.98 ? 90  GLU B CB  1 
ATOM   1194 C CG  . GLU B 1 90 ? 3.821  -11.397 -17.485 1.00 47.02 ? 90  GLU B CG  1 
ATOM   1195 C CD  . GLU B 1 90 ? 2.683  -10.526 -17.970 1.00 51.35 ? 90  GLU B CD  1 
ATOM   1196 O OE1 . GLU B 1 90 ? 1.607  -11.083 -18.275 1.00 58.15 ? 90  GLU B OE1 1 
ATOM   1197 O OE2 . GLU B 1 90 ? 2.889  -9.297  -18.050 1.00 53.04 ? 90  GLU B OE2 1 
ATOM   1198 N N   . PHE B 1 91 ? 7.037  -9.737  -14.602 1.00 29.30 ? 91  PHE B N   1 
ATOM   1199 C CA  . PHE B 1 91 ? 7.467  -9.246  -13.300 1.00 27.52 ? 91  PHE B CA  1 
ATOM   1200 C C   . PHE B 1 91 ? 8.043  -7.852  -13.477 1.00 25.11 ? 91  PHE B C   1 
ATOM   1201 O O   . PHE B 1 91 ? 8.247  -7.363  -14.601 1.00 25.67 ? 91  PHE B O   1 
ATOM   1202 C CB  . PHE B 1 91 ? 8.524  -10.160 -12.659 1.00 26.56 ? 91  PHE B CB  1 
ATOM   1203 C CG  . PHE B 1 91 ? 9.700  -10.494 -13.557 1.00 28.60 ? 91  PHE B CG  1 
ATOM   1204 C CD1 . PHE B 1 91 ? 10.921 -9.833  -13.434 1.00 27.31 ? 91  PHE B CD1 1 
ATOM   1205 C CD2 . PHE B 1 91 ? 9.617  -11.550 -14.469 1.00 30.45 ? 91  PHE B CD2 1 
ATOM   1206 C CE1 . PHE B 1 91 ? 11.994 -10.141 -14.258 1.00 28.07 ? 91  PHE B CE1 1 
ATOM   1207 C CE2 . PHE B 1 91 ? 10.691 -11.854 -15.301 1.00 31.50 ? 91  PHE B CE2 1 
ATOM   1208 C CZ  . PHE B 1 91 ? 11.888 -11.168 -15.179 1.00 30.51 ? 91  PHE B CZ  1 
ATOM   1209 N N   . VAL B 1 92 ? 8.310  -7.201  -12.358 1.00 25.82 ? 92  VAL B N   1 
ATOM   1210 C CA  . VAL B 1 92 ? 8.993  -5.914  -12.458 1.00 23.61 ? 92  VAL B CA  1 
ATOM   1211 C C   . VAL B 1 92 ? 10.342 -6.136  -11.790 1.00 23.58 ? 92  VAL B C   1 
ATOM   1212 O O   . VAL B 1 92 ? 10.452 -6.963  -10.863 1.00 24.05 ? 92  VAL B O   1 
ATOM   1213 C CB  . VAL B 1 92 ? 8.183  -4.792  -11.781 1.00 24.86 ? 92  VAL B CB  1 
ATOM   1214 C CG1 . VAL B 1 92 ? 6.908  -4.476  -12.557 1.00 26.65 ? 92  VAL B CG1 1 
ATOM   1215 C CG2 . VAL B 1 92 ? 7.846  -5.143  -10.329 1.00 25.00 ? 92  VAL B CG2 1 
ATOM   1216 N N   . VAL B 1 93 ? 11.355 -5.400  -12.230 1.00 22.86 ? 93  VAL B N   1 
ATOM   1217 C CA  . VAL B 1 93 ? 12.630 -5.427  -11.555 1.00 23.93 ? 93  VAL B CA  1 
ATOM   1218 C C   . VAL B 1 93 ? 12.835 -4.074  -10.890 1.00 23.68 ? 93  VAL B C   1 
ATOM   1219 O O   . VAL B 1 93 ? 12.844 -3.074  -11.593 1.00 25.52 ? 93  VAL B O   1 
ATOM   1220 C CB  . VAL B 1 93 ? 13.767 -5.722  -12.533 1.00 25.71 ? 93  VAL B CB  1 
ATOM   1221 C CG1 . VAL B 1 93 ? 15.107 -5.815  -11.797 1.00 26.31 ? 93  VAL B CG1 1 
ATOM   1222 C CG2 . VAL B 1 93 ? 13.481 -6.980  -13.331 1.00 25.50 ? 93  VAL B CG2 1 
ATOM   1223 N N   . VAL B 1 94 ? 13.089 -4.066  -9.574  1.00 23.52 ? 94  VAL B N   1 
ATOM   1224 C CA  . VAL B 1 94 ? 13.341 -2.807  -8.858  1.00 24.68 ? 94  VAL B CA  1 
ATOM   1225 C C   . VAL B 1 94 ? 14.826 -2.812  -8.509  1.00 26.19 ? 94  VAL B C   1 
ATOM   1226 O O   . VAL B 1 94 ? 15.275 -3.706  -7.783  1.00 28.07 ? 94  VAL B O   1 
ATOM   1227 C CB  . VAL B 1 94 ? 12.463 -2.682  -7.584  1.00 23.48 ? 94  VAL B CB  1 
ATOM   1228 C CG1 . VAL B 1 94 ? 12.906 -1.477  -6.729  1.00 25.34 ? 94  VAL B CG1 1 
ATOM   1229 C CG2 . VAL B 1 94 ? 10.972 -2.550  -7.919  1.00 22.40 ? 94  VAL B CG2 1 
ATOM   1230 N N   . THR B 1 95 ? 15.612 -1.892  -9.098  1.00 26.97 ? 95  THR B N   1 
ATOM   1231 C CA  . THR B 1 95 ? 17.041 -1.853  -8.825  1.00 29.73 ? 95  THR B CA  1 
ATOM   1232 C C   . THR B 1 95 ? 17.346 -0.656  -7.936  1.00 32.00 ? 95  THR B C   1 
ATOM   1233 O O   . THR B 1 95 ? 16.939 0.456   -8.247  1.00 29.50 ? 95  THR B O   1 
ATOM   1234 C CB  . THR B 1 95 ? 17.846 -1.753  -10.122 1.00 33.19 ? 95  THR B CB  1 
ATOM   1235 O OG1 . THR B 1 95 ? 17.454 -2.868  -10.918 1.00 33.98 ? 95  THR B OG1 1 
ATOM   1236 C CG2 . THR B 1 95 ? 19.353 -1.788  -9.927  1.00 35.85 ? 95  THR B CG2 1 
ATOM   1237 N N   . VAL B 1 96 ? 18.009 -0.895  -6.804  1.00 33.02 ? 96  VAL B N   1 
ATOM   1238 C CA  . VAL B 1 96 ? 18.399 0.225   -5.960  1.00 36.46 ? 96  VAL B CA  1 
ATOM   1239 C C   . VAL B 1 96 ? 19.880 0.484   -6.197  1.00 41.60 ? 96  VAL B C   1 
ATOM   1240 O O   . VAL B 1 96 ? 20.669 -0.464  -6.218  1.00 39.34 ? 96  VAL B O   1 
ATOM   1241 C CB  . VAL B 1 96 ? 18.108 -0.041  -4.470  1.00 36.16 ? 96  VAL B CB  1 
ATOM   1242 C CG1 . VAL B 1 96 ? 18.713 1.015   -3.550  1.00 36.05 ? 96  VAL B CG1 1 
ATOM   1243 C CG2 . VAL B 1 96 ? 16.617 -0.242  -4.214  1.00 36.49 ? 96  VAL B CG2 1 
ATOM   1244 N N   . LYS B 1 97 ? 20.186 1.777   -6.353  1.00 45.59 ? 97  LYS B N   1 
ATOM   1245 C CA  . LYS B 1 97 ? 21.506 2.324   -6.611  1.00 53.57 ? 97  LYS B CA  1 
ATOM   1246 C C   . LYS B 1 97 ? 22.409 2.111   -5.382  1.00 59.08 ? 97  LYS B C   1 
ATOM   1247 O O   . LYS B 1 97 ? 22.882 0.985   -5.113  1.00 58.22 ? 97  LYS B O   1 
ATOM   1248 C CB  . LYS B 1 97 ? 21.377 3.809   -6.982  1.00 52.83 ? 97  LYS B CB  1 
ATOM   1249 O OXT . LYS B 1 97 ? 22.706 3.073   -4.630  1.00 63.57 ? 97  LYS B OXT 1 
HETATM 1250 O O30 . 15P C 2 .  ? 13.062 -6.061  4.081   1.00 74.22 ? 100 15P B O30 1 
HETATM 1251 C C61 . 15P C 2 .  ? 13.218 -5.723  2.705   1.00 72.98 ? 100 15P B C61 1 
HETATM 1252 C C62 . 15P C 2 .  ? 12.140 -4.761  2.281   1.00 69.30 ? 100 15P B C62 1 
HETATM 1253 O O31 . 15P C 2 .  ? 11.967 -4.800  0.867   1.00 64.74 ? 100 15P B O31 1 
HETATM 1254 C C63 . 15P C 2 .  ? 10.597 -4.836  0.477   1.00 65.00 ? 100 15P B C63 1 
HETATM 1255 C C64 . 15P C 2 .  ? 10.476 -4.762  -1.016  1.00 65.71 ? 100 15P B C64 1 
HETATM 1256 O O32 . 15P C 2 .  ? 9.281  -4.075  -1.379  1.00 68.04 ? 100 15P B O32 1 
HETATM 1257 C C65 . 15P C 2 .  ? 9.255  -3.697  -2.752  1.00 63.68 ? 100 15P B C65 1 
HETATM 1258 C C66 . 15P C 2 .  ? 8.820  -2.272  -2.874  1.00 58.14 ? 100 15P B C66 1 
HETATM 1259 O O33 . 15P C 2 .  ? 9.103  -1.782  -4.182  1.00 60.89 ? 100 15P B O33 1 
HETATM 1260 C C67 . 15P C 2 .  ? 8.981  -0.364  -4.274  1.00 52.94 ? 100 15P B C67 1 
HETATM 1261 C C68 . 15P C 2 .  ? 8.831  0.068   -5.703  1.00 51.09 ? 100 15P B C68 1 
HETATM 1262 O O34 . 15P C 2 .  ? 8.931  1.482   -5.807  1.00 51.62 ? 100 15P B O34 1 
HETATM 1263 C CM  . 15P C 2 .  ? 8.670  2.016   -7.101  1.00 44.73 ? 100 15P B CM  1 
HETATM 1264 O O   . HOH D 3 .  ? -4.873 3.058   -3.246  1.00 46.07 ? 101 HOH A O   1 
HETATM 1265 O O   . HOH D 3 .  ? 12.681 3.711   -13.645 1.00 29.20 ? 102 HOH A O   1 
HETATM 1266 O O   . HOH D 3 .  ? 5.164  7.059   -13.025 1.00 41.11 ? 103 HOH A O   1 
HETATM 1267 O O   . HOH D 3 .  ? 9.322  23.402  0.468   1.00 36.21 ? 104 HOH A O   1 
HETATM 1268 O O   . HOH D 3 .  ? -1.241 19.892  1.400   1.00 19.71 ? 105 HOH A O   1 
HETATM 1269 O O   . HOH D 3 .  ? 1.936  18.547  -3.142  1.00 27.41 ? 106 HOH A O   1 
HETATM 1270 O O   . HOH D 3 .  ? -0.162 -9.897  -3.770  1.00 48.92 ? 107 HOH A O   1 
HETATM 1271 O O   . HOH D 3 .  ? 7.496  15.572  0.298   1.00 19.77 ? 108 HOH A O   1 
HETATM 1272 O O   . HOH D 3 .  ? 3.190  11.384  -8.645  1.00 48.06 ? 109 HOH A O   1 
HETATM 1273 O O   . HOH D 3 .  ? -4.606 4.810   1.331   1.00 37.29 ? 110 HOH A O   1 
HETATM 1274 O O   . HOH D 3 .  ? 14.089 17.556  0.713   1.00 18.48 ? 111 HOH A O   1 
HETATM 1275 O O   . HOH D 3 .  ? 23.196 7.163   -3.081  1.00 45.46 ? 112 HOH A O   1 
HETATM 1276 O O   . HOH D 3 .  ? 15.323 20.927  5.398   1.00 35.24 ? 113 HOH A O   1 
HETATM 1277 O O   . HOH D 3 .  ? 11.816 17.388  -0.703  1.00 19.98 ? 114 HOH A O   1 
HETATM 1278 O O   . HOH D 3 .  ? -2.863 12.871  6.698   1.00 28.12 ? 115 HOH A O   1 
HETATM 1279 O O   . HOH D 3 .  ? 1.921  5.090   -4.925  1.00 16.94 ? 116 HOH A O   1 
HETATM 1280 O O   . HOH D 3 .  ? 11.817 5.905   6.955   1.00 51.11 ? 117 HOH A O   1 
HETATM 1281 O O   . HOH D 3 .  ? 12.967 -19.982 -30.104 1.00 24.58 ? 118 HOH A O   1 
HETATM 1282 O O   . HOH D 3 .  ? 14.018 -26.792 -25.213 1.00 44.93 ? 119 HOH A O   1 
HETATM 1283 O O   . HOH D 3 .  ? 19.317 -20.048 -28.471 1.00 46.06 ? 120 HOH A O   1 
HETATM 1284 O O   . HOH D 3 .  ? 5.779  17.397  -6.867  1.00 29.34 ? 121 HOH A O   1 
HETATM 1285 O O   . HOH D 3 .  ? 14.161 12.495  7.990   1.00 37.63 ? 122 HOH A O   1 
HETATM 1286 O O   . HOH D 3 .  ? -3.088 12.264  -0.849  1.00 26.15 ? 123 HOH A O   1 
HETATM 1287 O O   . HOH D 3 .  ? 9.627  8.220   6.467   1.00 35.73 ? 124 HOH A O   1 
HETATM 1288 O O   . HOH D 3 .  ? -4.887 12.500  2.553   1.00 36.94 ? 125 HOH A O   1 
HETATM 1289 O O   . HOH D 3 .  ? -8.133 17.632  7.479   1.00 38.08 ? 126 HOH A O   1 
HETATM 1290 O O   . HOH D 3 .  ? 12.109 21.489  -1.004  1.00 49.21 ? 127 HOH A O   1 
HETATM 1291 O O   . HOH D 3 .  ? 10.762 15.740  1.514   1.00 17.12 ? 128 HOH A O   1 
HETATM 1292 O O   . HOH D 3 .  ? 16.930 14.979  8.740   1.00 44.60 ? 129 HOH A O   1 
HETATM 1293 O O   . HOH D 3 .  ? 16.882 1.292   4.116   1.00 50.95 ? 130 HOH A O   1 
HETATM 1294 O O   . HOH D 3 .  ? 11.982 11.288  9.281   1.00 47.57 ? 131 HOH A O   1 
HETATM 1295 O O   . HOH D 3 .  ? -6.697 8.430   2.769   1.00 38.33 ? 132 HOH A O   1 
HETATM 1296 O O   . HOH D 3 .  ? 9.486  12.305  -10.617 1.00 46.53 ? 133 HOH A O   1 
HETATM 1297 O O   . HOH D 3 .  ? 14.842 23.425  4.391   1.00 39.93 ? 134 HOH A O   1 
HETATM 1298 O O   . HOH D 3 .  ? -1.915 1.095   -9.038  1.00 48.93 ? 135 HOH A O   1 
HETATM 1299 O O   . HOH D 3 .  ? 15.662 21.650  2.641   1.00 43.63 ? 136 HOH A O   1 
HETATM 1300 O O   . HOH D 3 .  ? 12.502 26.360  5.840   1.00 52.43 ? 137 HOH A O   1 
HETATM 1301 O O   . HOH D 3 .  ? 14.140 3.305   -15.606 1.00 52.66 ? 138 HOH A O   1 
HETATM 1302 O O   . HOH E 3 .  ? 11.572 -4.137  5.839   1.00 40.79 ? 201 HOH B O   1 
HETATM 1303 O O   . HOH E 3 .  ? 1.093  0.408   11.040  1.00 30.77 ? 202 HOH B O   1 
HETATM 1304 O O   . HOH E 3 .  ? 10.368 1.843   5.397   1.00 26.49 ? 203 HOH B O   1 
HETATM 1305 O O   . HOH E 3 .  ? 9.964  0.815   11.650  1.00 49.23 ? 204 HOH B O   1 
HETATM 1306 O O   . HOH E 3 .  ? 1.223  -2.819  -16.816 1.00 43.11 ? 205 HOH B O   1 
HETATM 1307 O O   . HOH E 3 .  ? 3.746  -13.195 -13.743 1.00 49.94 ? 206 HOH B O   1 
HETATM 1308 O O   . HOH E 3 .  ? 15.200 -2.094  -12.546 1.00 32.98 ? 207 HOH B O   1 
HETATM 1309 O O   . HOH E 3 .  ? 6.590  -10.460 -5.687  1.00 29.00 ? 208 HOH B O   1 
HETATM 1310 O O   . HOH E 3 .  ? 14.760 -12.810 2.856   1.00 58.50 ? 209 HOH B O   1 
HETATM 1311 O O   . HOH E 3 .  ? 9.789  -15.246 -2.152  1.00 65.50 ? 210 HOH B O   1 
HETATM 1312 O O   . HOH E 3 .  ? 18.348 -4.018  -13.891 1.00 64.83 ? 211 HOH B 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   . MET A 1  ? 0.6909 0.6585 0.7929 0.0073  -0.0429 -0.0260 1  MET A N   
2    C CA  . MET A 1  ? 0.6646 0.6334 0.7602 0.0040  -0.0375 -0.0229 1  MET A CA  
3    C C   . MET A 1  ? 0.6052 0.5843 0.7175 0.0016  -0.0321 -0.0223 1  MET A C   
4    O O   . MET A 1  ? 0.6429 0.6253 0.7693 0.0024  -0.0347 -0.0256 1  MET A O   
5    C CB  . MET A 1  ? 0.7228 0.6829 0.8075 0.0058  -0.0431 -0.0245 1  MET A CB  
6    C CG  . MET A 1  ? 0.7593 0.7198 0.8354 0.0025  -0.0372 -0.0216 1  MET A CG  
7    S SD  . MET A 1  ? 0.9124 0.8605 0.9733 0.0046  -0.0428 -0.0236 1  MET A SD  
8    C CE  . MET A 1  ? 0.8905 0.8413 0.9686 0.0083  -0.0516 -0.0284 1  MET A CE  
9    N N   . ASP A 2  ? 0.5437 0.5265 0.6524 -0.0012 -0.0245 -0.0184 2  ASP A N   
10   C CA  . ASP A 2  ? 0.4532 0.4424 0.5722 -0.0031 -0.0180 -0.0169 2  ASP A CA  
11   C C   . ASP A 2  ? 0.3889 0.3781 0.5020 -0.0040 -0.0160 -0.0155 2  ASP A C   
12   O O   . ASP A 2  ? 0.3819 0.3678 0.4831 -0.0039 -0.0179 -0.0152 2  ASP A O   
13   C CB  . ASP A 2  ? 0.4402 0.4311 0.5559 -0.0042 -0.0127 -0.0141 2  ASP A CB  
14   C CG  . ASP A 2  ? 0.4579 0.4493 0.5826 -0.0030 -0.0144 -0.0161 2  ASP A CG  
15   O OD1 . ASP A 2  ? 0.4959 0.4900 0.6356 -0.0024 -0.0157 -0.0195 2  ASP A OD1 
16   O OD2 . ASP A 2  ? 0.4192 0.4087 0.5371 -0.0027 -0.0143 -0.0150 2  ASP A OD2 
17   N N   . PRO A 3  ? 0.3661 0.3577 0.4863 -0.0048 -0.0120 -0.0150 3  PRO A N   
18   C CA  . PRO A 3  ? 0.3427 0.3336 0.4570 -0.0048 -0.0114 -0.0142 3  PRO A CA  
19   C C   . PRO A 3  ? 0.3180 0.3103 0.4219 -0.0049 -0.0077 -0.0117 3  PRO A C   
20   O O   . PRO A 3  ? 0.3278 0.3201 0.4246 -0.0046 -0.0084 -0.0120 3  PRO A O   
21   C CB  . PRO A 3  ? 0.3468 0.3377 0.4719 -0.0054 -0.0084 -0.0150 3  PRO A CB  
22   C CG  . PRO A 3  ? 0.3550 0.3471 0.4881 -0.0064 -0.0035 -0.0146 3  PRO A CG  
23   C CD  . PRO A 3  ? 0.3565 0.3500 0.4900 -0.0058 -0.0075 -0.0156 3  PRO A CD  
24   N N   . LYS A 4  ? 0.2789 0.2726 0.3823 -0.0052 -0.0039 -0.0100 4  LYS A N   
25   C CA  . LYS A 4  ? 0.2710 0.2666 0.3658 -0.0048 -0.0017 -0.0089 4  LYS A CA  
26   C C   . LYS A 4  ? 0.2387 0.2349 0.3324 -0.0052 0.0007  -0.0075 4  LYS A C   
27   O O   . LYS A 4  ? 0.2023 0.1973 0.3022 -0.0056 0.0016  -0.0071 4  LYS A O   
28   C CB  . LYS A 4  ? 0.3216 0.3166 0.4146 -0.0030 0.0009  -0.0081 4  LYS A CB  
29   C CG  . LYS A 4  ? 0.3645 0.3551 0.4633 -0.0028 0.0044  -0.0071 4  LYS A CG  
30   C CD  . LYS A 4  ? 0.4034 0.3897 0.4970 -0.0005 0.0067  -0.0064 4  LYS A CD  
31   C CE  . LYS A 4  ? 0.4504 0.4359 0.5458 -0.0004 0.0044  -0.0077 4  LYS A CE  
32   N NZ  . LYS A 4  ? 0.5297 0.5073 0.6236 0.0005  0.0086  -0.0069 4  LYS A NZ  
33   N N   . ILE A 5  ? 0.2225 0.2211 0.3090 -0.0051 0.0015  -0.0076 5  ILE A N   
34   C CA  . ILE A 5  ? 0.2176 0.2168 0.3015 -0.0058 0.0031  -0.0068 5  ILE A CA  
35   C C   . ILE A 5  ? 0.2043 0.2011 0.2900 -0.0044 0.0067  -0.0048 5  ILE A C   
36   O O   . ILE A 5  ? 0.2133 0.2092 0.2987 -0.0049 0.0083  -0.0037 5  ILE A O   
37   C CB  . ILE A 5  ? 0.2239 0.2268 0.3013 -0.0065 0.0032  -0.0087 5  ILE A CB  
38   C CG1 . ILE A 5  ? 0.2320 0.2346 0.3064 -0.0080 0.0045  -0.0083 5  ILE A CG1 
39   C CG2 . ILE A 5  ? 0.2134 0.2188 0.2894 -0.0037 0.0039  -0.0095 5  ILE A CG2 
40   C CD1 . ILE A 5  ? 0.2513 0.2571 0.3210 -0.0102 0.0051  -0.0111 5  ILE A CD1 
41   N N   . SER A 6  ? 0.2093 0.2034 0.2950 -0.0024 0.0085  -0.0041 6  SER A N   
42   C CA  . SER A 6  ? 0.2180 0.2061 0.3023 -0.0011 0.0131  -0.0022 6  SER A CA  
43   C C   . SER A 6  ? 0.2260 0.2114 0.3201 -0.0030 0.0162  -0.0018 6  SER A C   
44   O O   . SER A 6  ? 0.2205 0.1997 0.3146 -0.0027 0.0218  -0.0005 6  SER A O   
45   C CB  . SER A 6  ? 0.2297 0.2129 0.3075 0.0019  0.0142  -0.0019 6  SER A CB  
46   O OG  . SER A 6  ? 0.2141 0.1973 0.2967 0.0012  0.0132  -0.0027 6  SER A OG  
47   N N   . GLU A 7  ? 0.2241 0.2133 0.3268 -0.0047 0.0127  -0.0036 7  GLU A N   
48   C CA  . GLU A 7  ? 0.2419 0.2301 0.3571 -0.0061 0.0147  -0.0050 7  GLU A CA  
49   C C   . GLU A 7  ? 0.2318 0.2242 0.3536 -0.0067 0.0094  -0.0073 7  GLU A C   
50   O O   . GLU A 7  ? 0.2255 0.2192 0.3562 -0.0069 0.0059  -0.0101 7  GLU A O   
51   C CB  . GLU A 7  ? 0.2832 0.2700 0.4029 -0.0064 0.0145  -0.0064 7  GLU A CB  
52   C CG  . GLU A 7  ? 0.3351 0.3147 0.4470 -0.0053 0.0200  -0.0045 7  GLU A CG  
53   C CD  . GLU A 7  ? 0.4336 0.4105 0.5455 -0.0051 0.0195  -0.0053 7  GLU A CD  
54   O OE1 . GLU A 7  ? 0.4760 0.4574 0.5946 -0.0059 0.0143  -0.0076 7  GLU A OE1 
55   O OE2 . GLU A 7  ? 0.4748 0.4433 0.5782 -0.0036 0.0240  -0.0038 7  GLU A OE2 
56   N N   . MET A 8  ? 0.2150 0.2082 0.3314 -0.0064 0.0082  -0.0064 8  MET A N   
57   C CA  . MET A 8  ? 0.2158 0.2100 0.3349 -0.0061 0.0028  -0.0085 8  MET A CA  
58   C C   . MET A 8  ? 0.2181 0.2131 0.3487 -0.0059 0.0045  -0.0100 8  MET A C   
59   O O   . MET A 8  ? 0.2088 0.2028 0.3424 -0.0067 0.0113  -0.0087 8  MET A O   
60   C CB  . MET A 8  ? 0.2243 0.2174 0.3302 -0.0062 0.0007  -0.0072 8  MET A CB  
61   C CG  . MET A 8  ? 0.2395 0.2330 0.3364 -0.0067 -0.0001 -0.0069 8  MET A CG  
62   S SD  . MET A 8  ? 0.2699 0.2613 0.3536 -0.0081 -0.0012 -0.0069 8  MET A SD  
63   C CE  . MET A 8  ? 0.2517 0.2366 0.3326 -0.0071 -0.0074 -0.0090 8  MET A CE  
64   N N   . HIS A 9  ? 0.2075 0.2031 0.3434 -0.0045 -0.0016 -0.0133 9  HIS A N   
65   C CA  . HIS A 9  ? 0.2108 0.2086 0.3605 -0.0037 -0.0009 -0.0163 9  HIS A CA  
66   C C   . HIS A 9  ? 0.2240 0.2194 0.3674 -0.0013 -0.0069 -0.0172 9  HIS A C   
67   O O   . HIS A 9  ? 0.2344 0.2272 0.3744 0.0008  -0.0148 -0.0196 9  HIS A O   
68   C CB  . HIS A 9  ? 0.2090 0.2103 0.3765 -0.0034 -0.0035 -0.0216 9  HIS A CB  
69   C CG  . HIS A 9  ? 0.2119 0.2133 0.3834 -0.0061 0.0031  -0.0206 9  HIS A CG  
70   N ND1 . HIS A 9  ? 0.2133 0.2133 0.3884 -0.0084 0.0131  -0.0190 9  HIS A ND1 
71   C CD2 . HIS A 9  ? 0.2225 0.2231 0.3919 -0.0067 0.0017  -0.0205 9  HIS A CD2 
72   C CE1 . HIS A 9  ? 0.2220 0.2192 0.3962 -0.0101 0.0176  -0.0180 9  HIS A CE1 
73   N NE2 . HIS A 9  ? 0.2266 0.2250 0.3980 -0.0091 0.0105  -0.0189 9  HIS A NE2 
74   N N   . PRO A 10 ? 0.2229 0.2171 0.3616 -0.0013 -0.0036 -0.0151 10 PRO A N   
75   C CA  . PRO A 10 ? 0.2179 0.2126 0.3572 -0.0033 0.0053  -0.0121 10 PRO A CA  
76   C C   . PRO A 10 ? 0.2076 0.2003 0.3328 -0.0049 0.0085  -0.0079 10 PRO A C   
77   O O   . PRO A 10 ? 0.2055 0.1973 0.3209 -0.0050 0.0045  -0.0072 10 PRO A O   
78   C CB  . PRO A 10 ? 0.2308 0.2239 0.3674 -0.0020 0.0052  -0.0120 10 PRO A CB  
79   C CG  . PRO A 10 ? 0.2455 0.2345 0.3699 -0.0002 -0.0026 -0.0123 10 PRO A CG  
80   C CD  . PRO A 10 ? 0.2418 0.2318 0.3722 0.0010  -0.0088 -0.0157 10 PRO A CD  
81   N N   . ALA A 11 ? 0.2053 0.1964 0.3293 -0.0058 0.0158  -0.0055 11 ALA A N   
82   C CA  . ALA A 11 ? 0.1990 0.1880 0.3112 -0.0061 0.0182  -0.0025 11 ALA A CA  
83   C C   . ALA A 11 ? 0.2030 0.1921 0.3027 -0.0061 0.0150  -0.0014 11 ALA A C   
84   O O   . ALA A 11 ? 0.2073 0.1954 0.3045 -0.0060 0.0143  -0.0012 11 ALA A O   
85   C CB  . ALA A 11 ? 0.2089 0.1930 0.3193 -0.0060 0.0260  -0.0006 11 ALA A CB  
86   N N   . LEU A 12 ? 0.1882 0.1784 0.2806 -0.0063 0.0134  -0.0011 12 LEU A N   
87   C CA  . LEU A 12 ? 0.1934 0.1843 0.2753 -0.0070 0.0121  -0.0009 12 LEU A CA  
88   C C   . LEU A 12 ? 0.1975 0.1875 0.2737 -0.0057 0.0153  0.0003  12 LEU A C   
89   O O   . LEU A 12 ? 0.1845 0.1734 0.2605 -0.0042 0.0164  0.0005  12 LEU A O   
90   C CB  . LEU A 12 ? 0.1971 0.1903 0.2762 -0.0080 0.0086  -0.0026 12 LEU A CB  
91   C CG  . LEU A 12 ? 0.2158 0.2101 0.2860 -0.0098 0.0082  -0.0038 12 LEU A CG  
92   C CD1 . LEU A 12 ? 0.2214 0.2149 0.2883 -0.0115 0.0057  -0.0058 12 LEU A CD1 
93   C CD2 . LEU A 12 ? 0.2161 0.2141 0.2841 -0.0088 0.0095  -0.0046 12 LEU A CD2 
94   N N   . ARG A 13 ? 0.1844 0.1735 0.2544 -0.0059 0.0161  0.0007  13 ARG A N   
95   C CA  . ARG A 13 ? 0.1953 0.1823 0.2585 -0.0037 0.0177  0.0012  13 ARG A CA  
96   C C   . ARG A 13 ? 0.2023 0.1926 0.2597 -0.0049 0.0157  -0.0008 13 ARG A C   
97   O O   . ARG A 13 ? 0.2010 0.1914 0.2575 -0.0075 0.0154  -0.0010 13 ARG A O   
98   C CB  . ARG A 13 ? 0.2049 0.1850 0.2661 -0.0022 0.0222  0.0036  13 ARG A CB  
99   C CG  . ARG A 13 ? 0.2070 0.1823 0.2737 -0.0015 0.0266  0.0049  13 ARG A CG  
100  C CD  . ARG A 13 ? 0.2286 0.1997 0.2889 0.0011  0.0271  0.0050  13 ARG A CD  
101  N NE  . ARG A 13 ? 0.2381 0.2027 0.3022 0.0011  0.0323  0.0061  13 ARG A NE  
102  C CZ  . ARG A 13 ? 0.2433 0.2112 0.3174 -0.0005 0.0321  0.0050  13 ARG A CZ  
103  N NH1 . ARG A 13 ? 0.2353 0.2117 0.3147 -0.0018 0.0263  0.0032  13 ARG A NH1 
104  N NH2 . ARG A 13 ? 0.2415 0.2025 0.3191 -0.0010 0.0382  0.0054  13 ARG A NH2 
105  N N   . LEU A 14 ? 0.2044 0.1966 0.2578 -0.0029 0.0141  -0.0028 14 LEU A N   
106  C CA  . LEU A 14 ? 0.2055 0.2013 0.2552 -0.0038 0.0126  -0.0059 14 LEU A CA  
107  C C   . LEU A 14 ? 0.2236 0.2133 0.2667 -0.0012 0.0138  -0.0044 14 LEU A C   
108  O O   . LEU A 14 ? 0.2303 0.2140 0.2687 0.0029  0.0144  -0.0029 14 LEU A O   
109  C CB  . LEU A 14 ? 0.2139 0.2158 0.2647 -0.0023 0.0094  -0.0102 14 LEU A CB  
110  C CG  . LEU A 14 ? 0.2253 0.2322 0.2748 -0.0025 0.0074  -0.0152 14 LEU A CG  
111  C CD1 . LEU A 14 ? 0.2179 0.2289 0.2699 -0.0086 0.0092  -0.0176 14 LEU A CD1 
112  C CD2 . LEU A 14 ? 0.2290 0.2419 0.2807 0.0009  0.0035  -0.0204 14 LEU A CD2 
113  N N   . VAL A 15 ? 0.2176 0.2075 0.2584 -0.0036 0.0143  -0.0049 15 VAL A N   
114  C CA  . VAL A 15 ? 0.2318 0.2157 0.2653 -0.0010 0.0151  -0.0039 15 VAL A CA  
115  C C   . VAL A 15 ? 0.2441 0.2312 0.2743 0.0018  0.0110  -0.0086 15 VAL A C   
116  O O   . VAL A 15 ? 0.2286 0.2245 0.2637 -0.0009 0.0088  -0.0135 15 VAL A O   
117  C CB  . VAL A 15 ? 0.2270 0.2097 0.2589 -0.0043 0.0168  -0.0032 15 VAL A CB  
118  C CG1 . VAL A 15 ? 0.2387 0.2149 0.2622 -0.0015 0.0173  -0.0026 15 VAL A CG1 
119  C CG2 . VAL A 15 ? 0.2364 0.2162 0.2724 -0.0060 0.0194  0.0002  15 VAL A CG2 
120  N N   . ASP A 16 ? 0.2915 0.2704 0.3130 0.0075  0.0102  -0.0077 16 ASP A N   
121  C CA  . ASP A 16 ? 0.3343 0.3130 0.3499 0.0122  0.0050  -0.0123 16 ASP A CA  
122  C C   . ASP A 16 ? 0.3209 0.3091 0.3418 0.0081  0.0029  -0.0175 16 ASP A C   
123  O O   . ASP A 16 ? 0.2896 0.2755 0.3088 0.0048  0.0057  -0.0158 16 ASP A O   
124  C CB  . ASP A 16 ? 0.4134 0.3773 0.4150 0.0176  0.0062  -0.0091 16 ASP A CB  
125  C CG  . ASP A 16 ? 0.4984 0.4582 0.4902 0.0232  0.0006  -0.0134 16 ASP A CG  
126  O OD1 . ASP A 16 ? 0.4553 0.4260 0.4535 0.0229  -0.0050 -0.0202 16 ASP A OD1 
127  O OD2 . ASP A 16 ? 0.5758 0.5203 0.5531 0.0279  0.0022  -0.0102 16 ASP A OD2 
128  N N   . PRO A 17 ? 0.3258 0.3243 0.3535 0.0082  -0.0015 -0.0246 17 PRO A N   
129  C CA  . PRO A 17 ? 0.3428 0.3512 0.3778 0.0034  -0.0023 -0.0312 17 PRO A CA  
130  C C   . PRO A 17 ? 0.3571 0.3617 0.3860 0.0048  -0.0042 -0.0332 17 PRO A C   
131  O O   . PRO A 17 ? 0.3708 0.3816 0.4048 -0.0002 -0.0035 -0.0378 17 PRO A O   
132  C CB  . PRO A 17 ? 0.3597 0.3778 0.4019 0.0067  -0.0081 -0.0393 17 PRO A CB  
133  C CG  . PRO A 17 ? 0.3590 0.3748 0.4009 0.0092  -0.0076 -0.0355 17 PRO A CG  
134  C CD  . PRO A 17 ? 0.3541 0.3553 0.3836 0.0130  -0.0054 -0.0273 17 PRO A CD  
135  N N   . GLN A 18 ? 0.3661 0.3590 0.3830 0.0113  -0.0058 -0.0295 18 GLN A N   
136  C CA  . GLN A 18 ? 0.4035 0.3903 0.4127 0.0122  -0.0065 -0.0297 18 GLN A CA  
137  C C   . GLN A 18 ? 0.3928 0.3772 0.4018 0.0055  0.0000  -0.0251 18 GLN A C   
138  O O   . GLN A 18 ? 0.4042 0.3859 0.4090 0.0046  -0.0003 -0.0263 18 GLN A O   
139  C CB  . GLN A 18 ? 0.4541 0.4257 0.4476 0.0206  -0.0086 -0.0265 18 GLN A CB  
140  C CG  . GLN A 18 ? 0.5383 0.5111 0.5289 0.0282  -0.0177 -0.0341 18 GLN A CG  
141  C CD  . GLN A 18 ? 0.6124 0.5683 0.5858 0.0376  -0.0199 -0.0308 18 GLN A CD  
142  O OE1 . GLN A 18 ? 0.6366 0.5829 0.6041 0.0377  -0.0139 -0.0235 18 GLN A OE1 
143  N NE2 . GLN A 18 ? 0.6210 0.5722 0.5858 0.0457  -0.0286 -0.0369 18 GLN A NE2 
144  N N   . ILE A 19 ? 0.3396 0.3238 0.3522 0.0018  0.0049  -0.0199 19 ILE A N   
145  C CA  . ILE A 19 ? 0.3122 0.2941 0.3245 -0.0036 0.0098  -0.0165 19 ILE A CA  
146  C C   . ILE A 19 ? 0.2883 0.2781 0.3093 -0.0098 0.0116  -0.0184 19 ILE A C   
147  O O   . ILE A 19 ? 0.2518 0.2437 0.2770 -0.0093 0.0118  -0.0168 19 ILE A O   
148  C CB  . ILE A 19 ? 0.3239 0.2959 0.3313 -0.0014 0.0137  -0.0089 19 ILE A CB  
149  C CG1 . ILE A 19 ? 0.3481 0.3092 0.3444 0.0041  0.0137  -0.0068 19 ILE A CG1 
150  C CG2 . ILE A 19 ? 0.3179 0.2883 0.3266 -0.0061 0.0176  -0.0060 19 ILE A CG2 
151  C CD1 . ILE A 19 ? 0.3595 0.3110 0.3525 0.0062  0.0190  -0.0005 19 ILE A CD1 
152  N N   . GLN A 20 ? 0.2824 0.2746 0.3044 -0.0156 0.0134  -0.0217 20 GLN A N   
153  C CA  . GLN A 20 ? 0.2950 0.2912 0.3216 -0.0215 0.0162  -0.0237 20 GLN A CA  
154  C C   . GLN A 20 ? 0.3001 0.2890 0.3201 -0.0265 0.0203  -0.0220 20 GLN A C   
155  O O   . GLN A 20 ? 0.2865 0.2696 0.3004 -0.0254 0.0205  -0.0200 20 GLN A O   
156  C CB  . GLN A 20 ? 0.3163 0.3232 0.3516 -0.0242 0.0149  -0.0324 20 GLN A CB  
157  C CG  . GLN A 20 ? 0.3415 0.3550 0.3829 -0.0189 0.0106  -0.0341 20 GLN A CG  
158  C CD  . GLN A 20 ? 0.3844 0.4097 0.4367 -0.0213 0.0095  -0.0431 20 GLN A CD  
159  O OE1 . GLN A 20 ? 0.3711 0.3994 0.4275 -0.0278 0.0141  -0.0459 20 GLN A OE1 
160  N NE2 . GLN A 20 ? 0.3967 0.4279 0.4531 -0.0155 0.0035  -0.0481 20 GLN A NE2 
161  N N   . LEU A 21 ? 0.2943 0.2811 0.3135 -0.0311 0.0234  -0.0220 21 LEU A N   
162  C CA  . LEU A 21 ? 0.3253 0.3025 0.3353 -0.0353 0.0270  -0.0207 21 LEU A CA  
163  C C   . LEU A 21 ? 0.3430 0.3221 0.3531 -0.0422 0.0307  -0.0278 21 LEU A C   
164  O O   . LEU A 21 ? 0.3330 0.3178 0.3489 -0.0458 0.0327  -0.0326 21 LEU A O   
165  C CB  . LEU A 21 ? 0.3181 0.2880 0.3234 -0.0358 0.0281  -0.0171 21 LEU A CB  
166  C CG  . LEU A 21 ? 0.3293 0.2863 0.3228 -0.0367 0.0298  -0.0139 21 LEU A CG  
167  C CD1 . LEU A 21 ? 0.3366 0.2918 0.3302 -0.0312 0.0274  -0.0093 21 LEU A CD1 
168  C CD2 . LEU A 21 ? 0.3261 0.2742 0.3128 -0.0372 0.0302  -0.0122 21 LEU A CD2 
169  N N   . ALA A 22 ? 0.3681 0.3416 0.3718 -0.0444 0.0325  -0.0285 22 ALA A N   
170  C CA  . ALA A 22 ? 0.3869 0.3607 0.3905 -0.0519 0.0372  -0.0356 22 ALA A CA  
171  C C   . ALA A 22 ? 0.4252 0.3840 0.4149 -0.0569 0.0431  -0.0335 22 ALA A C   
172  O O   . ALA A 22 ? 0.4256 0.3734 0.4044 -0.0545 0.0424  -0.0279 22 ALA A O   
173  C CB  . ALA A 22 ? 0.4070 0.3828 0.4113 -0.0513 0.0354  -0.0384 22 ALA A CB  
174  N N   . VAL A 23 ? 0.4831 0.4401 0.4722 -0.0639 0.0491  -0.0387 23 VAL A N   
175  C CA  . VAL A 23 ? 0.5760 0.5151 0.5481 -0.0686 0.0553  -0.0372 23 VAL A CA  
176  C C   . VAL A 23 ? 0.6295 0.5659 0.6002 -0.0780 0.0634  -0.0451 23 VAL A C   
177  O O   . VAL A 23 ? 0.6622 0.6104 0.6463 -0.0826 0.0664  -0.0530 23 VAL A O   
178  C CB  . VAL A 23 ? 0.5892 0.5231 0.5570 -0.0682 0.0563  -0.0352 23 VAL A CB  
179  C CG1 . VAL A 23 ? 0.6631 0.5745 0.6091 -0.0716 0.0617  -0.0333 23 VAL A CG1 
180  C CG2 . VAL A 23 ? 0.5674 0.5067 0.5405 -0.0595 0.0482  -0.0289 23 VAL A CG2 
181  N N   . THR A 24 ? 0.7251 0.6465 0.6808 -0.0808 0.0670  -0.0437 24 THR A N   
182  C CA  . THR A 24 ? 0.7847 0.7003 0.7371 -0.0908 0.0765  -0.0514 24 THR A CA  
183  C C   . THR A 24 ? 0.8387 0.7380 0.7767 -0.0967 0.0853  -0.0522 24 THR A C   
184  O O   . THR A 24 ? 0.9042 0.7850 0.8226 -0.0934 0.0846  -0.0455 24 THR A O   
185  C CB  . THR A 24 ? 0.7920 0.6960 0.7322 -0.0922 0.0779  -0.0500 24 THR A CB  
186  O OG1 . THR A 24 ? 0.7991 0.7066 0.7400 -0.0830 0.0687  -0.0431 24 THR A OG1 
187  C CG2 . THR A 24 ? 0.8219 0.7334 0.7722 -0.1000 0.0829  -0.0597 24 THR A CG2 
188  N N   . ARG A 25 ? 0.8582 0.7635 0.8057 -0.1049 0.0933  -0.0611 25 ARG A N   
189  C CA  . ARG A 25 ? 0.8390 0.7301 0.7746 -0.1102 0.1021  -0.0625 25 ARG A CA  
190  C C   . ARG A 25 ? 0.8303 0.7274 0.7773 -0.1216 0.1138  -0.0744 25 ARG A C   
191  O O   . ARG A 25 ? 0.7787 0.6800 0.7323 -0.1269 0.1171  -0.0805 25 ARG A O   
192  C CB  . ARG A 25 ? 0.8227 0.7210 0.7637 -0.1034 0.0957  -0.0583 25 ARG A CB  
193  N N   . PRO A 39 ? 0.7866 0.7623 0.8063 -0.1011 0.0769  -0.0833 39 PRO A N   
194  C CA  . PRO A 39 ? 0.7578 0.7342 0.7735 -0.0902 0.0673  -0.0729 39 PRO A CA  
195  C C   . PRO A 39 ? 0.7078 0.6999 0.7392 -0.0862 0.0629  -0.0755 39 PRO A C   
196  O O   . PRO A 39 ? 0.7028 0.7117 0.7525 -0.0862 0.0601  -0.0846 39 PRO A O   
197  C CB  . PRO A 39 ? 0.7792 0.7593 0.7960 -0.0841 0.0592  -0.0709 39 PRO A CB  
198  C CG  . PRO A 39 ? 0.7940 0.7661 0.8051 -0.0918 0.0656  -0.0757 39 PRO A CG  
199  C CD  . PRO A 39 ? 0.8125 0.7875 0.8317 -0.1023 0.0757  -0.0860 39 PRO A CD  
200  N N   . LYS A 40 ? 0.6284 0.6148 0.6526 -0.0827 0.0620  -0.0682 40 LYS A N   
201  C CA  . LYS A 40 ? 0.5539 0.5536 0.5911 -0.0782 0.0573  -0.0695 40 LYS A CA  
202  C C   . LYS A 40 ? 0.4973 0.4967 0.5308 -0.0680 0.0482  -0.0599 40 LYS A C   
203  O O   . LYS A 40 ? 0.5005 0.4871 0.5201 -0.0656 0.0476  -0.0517 40 LYS A O   
204  C CB  . LYS A 40 ? 0.6023 0.5974 0.6370 -0.0831 0.0645  -0.0708 40 LYS A CB  
205  C CG  . LYS A 40 ? 0.6656 0.6761 0.7160 -0.0797 0.0608  -0.0744 40 LYS A CG  
206  C CD  . LYS A 40 ? 0.7281 0.7426 0.7867 -0.0877 0.0698  -0.0837 40 LYS A CD  
207  C CE  . LYS A 40 ? 0.7736 0.7695 0.8148 -0.0928 0.0786  -0.0798 40 LYS A CE  
208  N NZ  . LYS A 40 ? 0.7446 0.7416 0.7857 -0.0884 0.0758  -0.0760 40 LYS A NZ  
209  N N   . VAL A 41 ? 0.4350 0.4479 0.4811 -0.0621 0.0416  -0.0618 41 VAL A N   
210  C CA  . VAL A 41 ? 0.4066 0.4197 0.4505 -0.0528 0.0339  -0.0543 41 VAL A CA  
211  C C   . VAL A 41 ? 0.3577 0.3725 0.4038 -0.0501 0.0329  -0.0511 41 VAL A C   
212  O O   . VAL A 41 ? 0.3497 0.3738 0.4060 -0.0517 0.0336  -0.0572 41 VAL A O   
213  C CB  . VAL A 41 ? 0.4396 0.4627 0.4920 -0.0471 0.0267  -0.0585 41 VAL A CB  
214  C CG1 . VAL A 41 ? 0.4474 0.4856 0.5156 -0.0462 0.0238  -0.0678 41 VAL A CG1 
215  C CG2 . VAL A 41 ? 0.4472 0.4657 0.4931 -0.0383 0.0206  -0.0503 41 VAL A CG2 
216  N N   . TYR A 42 ? 0.3200 0.3257 0.3570 -0.0462 0.0312  -0.0420 42 TYR A N   
217  C CA  . TYR A 42 ? 0.3033 0.3090 0.3413 -0.0438 0.0302  -0.0387 42 TYR A CA  
218  C C   . TYR A 42 ? 0.2665 0.2742 0.3064 -0.0358 0.0240  -0.0334 42 TYR A C   
219  O O   . TYR A 42 ? 0.2676 0.2690 0.3015 -0.0330 0.0228  -0.0285 42 TYR A O   
220  C CB  . TYR A 42 ? 0.3201 0.3121 0.3459 -0.0464 0.0337  -0.0336 42 TYR A CB  
221  C CG  . TYR A 42 ? 0.3641 0.3500 0.3843 -0.0545 0.0412  -0.0385 42 TYR A CG  
222  C CD1 . TYR A 42 ? 0.3878 0.3653 0.3994 -0.0588 0.0451  -0.0395 42 TYR A CD1 
223  C CD2 . TYR A 42 ? 0.3875 0.3754 0.4106 -0.0582 0.0450  -0.0427 42 TYR A CD2 
224  C CE1 . TYR A 42 ? 0.4231 0.3929 0.4282 -0.0669 0.0534  -0.0444 42 TYR A CE1 
225  C CE2 . TYR A 42 ? 0.4482 0.4287 0.4652 -0.0663 0.0536  -0.0478 42 TYR A CE2 
226  C CZ  . TYR A 42 ? 0.4590 0.4301 0.4668 -0.0709 0.0581  -0.0486 42 TYR A CZ  
227  O OH  . TYR A 42 ? 0.5245 0.4863 0.5251 -0.0796 0.0680  -0.0540 42 TYR A OH  
228  N N   . PRO A 43 ? 0.2566 0.2712 0.3036 -0.0322 0.0210  -0.0341 43 PRO A N   
229  C CA  . PRO A 43 ? 0.2354 0.2477 0.2815 -0.0256 0.0172  -0.0280 43 PRO A CA  
230  C C   . PRO A 43 ? 0.2269 0.2295 0.2666 -0.0259 0.0188  -0.0213 43 PRO A C   
231  O O   . PRO A 43 ? 0.2294 0.2276 0.2655 -0.0298 0.0214  -0.0212 43 PRO A O   
232  C CB  . PRO A 43 ? 0.2363 0.2563 0.2899 -0.0235 0.0151  -0.0309 43 PRO A CB  
233  C CG  . PRO A 43 ? 0.2533 0.2824 0.3142 -0.0276 0.0165  -0.0399 43 PRO A CG  
234  C CD  . PRO A 43 ? 0.2484 0.2718 0.3040 -0.0348 0.0222  -0.0408 43 PRO A CD  
235  N N   . ILE A 44 ? 0.2164 0.2150 0.2544 -0.0213 0.0171  -0.0162 44 ILE A N   
236  C CA  . ILE A 44 ? 0.2119 0.2033 0.2473 -0.0203 0.0176  -0.0109 44 ILE A CA  
237  C C   . ILE A 44 ? 0.2048 0.1980 0.2458 -0.0170 0.0160  -0.0088 44 ILE A C   
238  O O   . ILE A 44 ? 0.2036 0.1982 0.2467 -0.0131 0.0151  -0.0078 44 ILE A O   
239  C CB  . ILE A 44 ? 0.2096 0.1956 0.2412 -0.0179 0.0182  -0.0075 44 ILE A CB  
240  C CG1 . ILE A 44 ? 0.2131 0.1971 0.2388 -0.0212 0.0197  -0.0099 44 ILE A CG1 
241  C CG2 . ILE A 44 ? 0.2095 0.1895 0.2412 -0.0166 0.0184  -0.0035 44 ILE A CG2 
242  C CD1 . ILE A 44 ? 0.2167 0.1968 0.2385 -0.0185 0.0199  -0.0078 44 ILE A CD1 
243  N N   . ILE A 45 ? 0.2044 0.1952 0.2457 -0.0183 0.0157  -0.0079 45 ILE A N   
244  C CA  . ILE A 45 ? 0.2088 0.1995 0.2555 -0.0155 0.0142  -0.0056 45 ILE A CA  
245  C C   . ILE A 45 ? 0.2139 0.1988 0.2609 -0.0142 0.0140  -0.0027 45 ILE A C   
246  O O   . ILE A 45 ? 0.2385 0.2179 0.2799 -0.0158 0.0135  -0.0029 45 ILE A O   
247  C CB  . ILE A 45 ? 0.2088 0.2006 0.2561 -0.0174 0.0132  -0.0076 45 ILE A CB  
248  C CG1 . ILE A 45 ? 0.2120 0.2110 0.2613 -0.0186 0.0136  -0.0115 45 ILE A CG1 
249  C CG2 . ILE A 45 ? 0.2087 0.1988 0.2612 -0.0150 0.0111  -0.0054 45 ILE A CG2 
250  C CD1 . ILE A 45 ? 0.2205 0.2246 0.2751 -0.0146 0.0121  -0.0116 45 ILE A CD1 
251  N N   . LEU A 46 ? 0.2119 0.1970 0.2650 -0.0113 0.0147  -0.0006 46 LEU A N   
252  C CA  . LEU A 46 ? 0.2208 0.2026 0.2787 -0.0097 0.0147  0.0008  46 LEU A CA  
253  C C   . LEU A 46 ? 0.2227 0.2059 0.2888 -0.0088 0.0125  0.0002  46 LEU A C   
254  O O   . LEU A 46 ? 0.2128 0.1990 0.2825 -0.0085 0.0129  0.0000  46 LEU A O   
255  C CB  . LEU A 46 ? 0.2245 0.2049 0.2851 -0.0077 0.0185  0.0028  46 LEU A CB  
256  C CG  . LEU A 46 ? 0.2480 0.2260 0.3003 -0.0077 0.0204  0.0035  46 LEU A CG  
257  C CD1 . LEU A 46 ? 0.2594 0.2334 0.3118 -0.0053 0.0246  0.0055  46 LEU A CD1 
258  C CD2 . LEU A 46 ? 0.2659 0.2406 0.3136 -0.0090 0.0195  0.0033  46 LEU A CD2 
259  N N   . ARG A 47 ? 0.2222 0.2025 0.2908 -0.0079 0.0097  -0.0005 47 ARG A N   
260  C CA  . ARG A 47 ? 0.2306 0.2124 0.3102 -0.0062 0.0073  -0.0020 47 ARG A CA  
261  C C   . ARG A 47 ? 0.2316 0.2137 0.3209 -0.0045 0.0095  -0.0022 47 ARG A C   
262  O O   . ARG A 47 ? 0.2420 0.2210 0.3291 -0.0033 0.0080  -0.0027 47 ARG A O   
263  C CB  . ARG A 47 ? 0.2386 0.2170 0.3149 -0.0055 0.0013  -0.0041 47 ARG A CB  
264  C CG  . ARG A 47 ? 0.2524 0.2293 0.3183 -0.0078 0.0007  -0.0043 47 ARG A CG  
265  C CD  . ARG A 47 ? 0.2429 0.2259 0.3153 -0.0084 0.0021  -0.0042 47 ARG A CD  
266  N NE  . ARG A 47 ? 0.2469 0.2315 0.3311 -0.0064 -0.0001 -0.0054 47 ARG A NE  
267  C CZ  . ARG A 47 ? 0.2466 0.2289 0.3316 -0.0052 -0.0052 -0.0075 47 ARG A CZ  
268  N NH1 . ARG A 47 ? 0.2476 0.2241 0.3201 -0.0058 -0.0079 -0.0081 47 ARG A NH1 
269  N NH2 . ARG A 47 ? 0.2286 0.2134 0.3265 -0.0036 -0.0073 -0.0095 47 ARG A NH2 
270  N N   . LEU A 48 ? 0.2466 0.2311 0.3453 -0.0045 0.0142  -0.0018 48 LEU A N   
271  C CA  . LEU A 48 ? 0.2509 0.2346 0.3567 -0.0039 0.0194  -0.0017 48 LEU A CA  
272  C C   . LEU A 48 ? 0.2525 0.2393 0.3750 -0.0026 0.0179  -0.0057 48 LEU A C   
273  O O   . LEU A 48 ? 0.2488 0.2377 0.3834 -0.0034 0.0222  -0.0072 48 LEU A O   
274  C CB  . LEU A 48 ? 0.2866 0.2685 0.3921 -0.0046 0.0264  0.0002  48 LEU A CB  
275  C CG  . LEU A 48 ? 0.3143 0.2925 0.4047 -0.0046 0.0282  0.0032  48 LEU A CG  
276  C CD1 . LEU A 48 ? 0.3391 0.3131 0.4271 -0.0041 0.0335  0.0046  48 LEU A CD1 
277  C CD2 . LEU A 48 ? 0.3165 0.2912 0.4022 -0.0040 0.0305  0.0043  48 LEU A CD2 
278  N N   . GLY A 49 ? 0.2480 0.2343 0.3709 -0.0004 0.0115  -0.0080 49 GLY A N   
279  C CA  . GLY A 49 ? 0.2588 0.2487 0.3987 0.0018  0.0085  -0.0133 49 GLY A CA  
280  C C   . GLY A 49 ? 0.2743 0.2657 0.4253 0.0017  0.0158  -0.0143 49 GLY A C   
281  O O   . GLY A 49 ? 0.2788 0.2750 0.4486 0.0028  0.0161  -0.0196 49 GLY A O   
282  N N   . SER A 50 ? 0.3068 0.2937 0.4460 0.0004  0.0219  -0.0098 50 SER A N   
283  C CA  . SER A 50 ? 0.3416 0.3272 0.4867 0.0000  0.0304  -0.0098 50 SER A CA  
284  C C   . SER A 50 ? 0.3732 0.3521 0.5010 -0.0013 0.0362  -0.0042 50 SER A C   
285  O O   . SER A 50 ? 0.3776 0.3545 0.4905 -0.0016 0.0323  -0.0013 50 SER A O   
286  C CB  . SER A 50 ? 0.3767 0.3628 0.5259 0.0030  0.0269  -0.0126 50 SER A CB  
287  O OG  . SER A 50 ? 0.4408 0.4289 0.6055 0.0028  0.0346  -0.0156 50 SER A OG  
288  N N   . PRO A 51 ? 0.3796 0.3540 0.5085 -0.0022 0.0459  -0.0031 51 PRO A N   
289  C CA  . PRO A 51 ? 0.3873 0.3536 0.4979 -0.0023 0.0500  0.0016  51 PRO A CA  
290  C C   . PRO A 51 ? 0.4049 0.3692 0.5048 -0.0010 0.0465  0.0031  51 PRO A C   
291  O O   . PRO A 51 ? 0.3643 0.3314 0.4706 0.0002  0.0431  0.0007  51 PRO A O   
292  C CB  . PRO A 51 ? 0.4228 0.3826 0.5377 -0.0032 0.0616  0.0016  51 PRO A CB  
293  C CG  . PRO A 51 ? 0.4078 0.3738 0.5441 -0.0048 0.0638  -0.0032 51 PRO A CG  
294  C CD  . PRO A 51 ? 0.3953 0.3711 0.5422 -0.0031 0.0536  -0.0069 51 PRO A CD  
295  N N   . LEU A 52 ? 0.4038 0.3630 0.4868 -0.0010 0.0466  0.0066  52 LEU A N   
296  C CA  . LEU A 52 ? 0.4208 0.3765 0.4933 -0.0003 0.0451  0.0079  52 LEU A CA  
297  C C   . LEU A 52 ? 0.4161 0.3632 0.4753 0.0003  0.0506  0.0108  52 LEU A C   
298  O O   . LEU A 52 ? 0.4071 0.3504 0.4626 0.0005  0.0538  0.0118  52 LEU A O   
299  C CB  . LEU A 52 ? 0.4434 0.4022 0.5085 -0.0011 0.0371  0.0076  52 LEU A CB  
300  C CG  . LEU A 52 ? 0.4849 0.4453 0.5422 -0.0024 0.0345  0.0084  52 LEU A CG  
301  C CD1 . LEU A 52 ? 0.5443 0.4994 0.5885 -0.0019 0.0366  0.0102  52 LEU A CD1 
302  C CD2 . LEU A 52 ? 0.4924 0.4557 0.5461 -0.0039 0.0280  0.0070  52 LEU A CD2 
303  N N   . SER A 53 ? 0.4145 0.3568 0.4653 0.0011  0.0514  0.0119  53 SER A N   
304  C CA  . SER A 53 ? 0.4131 0.3459 0.4492 0.0024  0.0553  0.0143  53 SER A CA  
305  C C   . SER A 53 ? 0.3966 0.3286 0.4206 0.0024  0.0502  0.0147  53 SER A C   
306  O O   . SER A 53 ? 0.3934 0.3296 0.4199 0.0013  0.0462  0.0137  53 SER A O   
307  C CB  . SER A 53 ? 0.4468 0.3713 0.4838 0.0035  0.0644  0.0150  53 SER A CB  
308  O OG  . SER A 53 ? 0.4888 0.4134 0.5268 0.0039  0.0641  0.0146  53 SER A OG  
309  N N   . LEU A 54 ? 0.3759 0.3013 0.3861 0.0039  0.0504  0.0158  54 LEU A N   
310  C CA  . LEU A 54 ? 0.3715 0.2964 0.3711 0.0036  0.0458  0.0153  54 LEU A CA  
311  C C   . LEU A 54 ? 0.3704 0.2834 0.3573 0.0064  0.0498  0.0169  54 LEU A C   
312  O O   . LEU A 54 ? 0.3538 0.2583 0.3339 0.0091  0.0535  0.0181  54 LEU A O   
313  C CB  . LEU A 54 ? 0.3743 0.3039 0.3708 0.0034  0.0404  0.0134  54 LEU A CB  
314  C CG  . LEU A 54 ? 0.4132 0.3455 0.4028 0.0021  0.0351  0.0108  54 LEU A CG  
315  C CD1 . LEU A 54 ? 0.4237 0.3611 0.4175 -0.0018 0.0334  0.0098  54 LEU A CD1 
316  C CD2 . LEU A 54 ? 0.4063 0.3444 0.3963 0.0025  0.0304  0.0079  54 LEU A CD2 
317  N N   . ASN A 55 ? 0.3693 0.2803 0.3510 0.0058  0.0489  0.0169  55 ASN A N   
318  C CA  . ASN A 55 ? 0.4101 0.3097 0.3779 0.0084  0.0514  0.0182  55 ASN A CA  
319  C C   . ASN A 55 ? 0.4265 0.3284 0.3867 0.0072  0.0450  0.0160  55 ASN A C   
320  O O   . ASN A 55 ? 0.4222 0.3312 0.3875 0.0038  0.0419  0.0145  55 ASN A O   
321  C CB  . ASN A 55 ? 0.4283 0.3223 0.3977 0.0089  0.0575  0.0198  55 ASN A CB  
322  C CG  . ASN A 55 ? 0.4954 0.3826 0.4681 0.0106  0.0662  0.0213  55 ASN A CG  
323  O OD1 . ASN A 55 ? 0.5428 0.4167 0.5026 0.0133  0.0712  0.0229  55 ASN A OD1 
324  N ND2 . ASN A 55 ? 0.4973 0.3925 0.4864 0.0089  0.0680  0.0203  55 ASN A ND2 
325  N N   . MET A 56 ? 0.4418 0.3368 0.3895 0.0102  0.0429  0.0151  56 MET A N   
326  C CA  . MET A 56 ? 0.4740 0.3695 0.4147 0.0092  0.0380  0.0124  56 MET A CA  
327  C C   . MET A 56 ? 0.4760 0.3613 0.4081 0.0102  0.0420  0.0147  56 MET A C   
328  O O   . MET A 56 ? 0.4746 0.3488 0.4000 0.0137  0.0475  0.0175  56 MET A O   
329  C CB  . MET A 56 ? 0.5287 0.4209 0.4602 0.0130  0.0329  0.0095  56 MET A CB  
330  C CG  . MET A 56 ? 0.6074 0.5019 0.5341 0.0121  0.0269  0.0049  56 MET A CG  
331  S SD  . MET A 56 ? 0.8116 0.7240 0.7533 0.0056  0.0223  -0.0003 56 MET A SD  
332  C CE  . MET A 56 ? 0.6742 0.5918 0.6229 0.0081  0.0210  -0.0002 56 MET A CE  
333  N N   . ALA A 57 ? 0.4603 0.3481 0.3917 0.0070  0.0399  0.0132  57 ALA A N   
334  C CA  . ALA A 57 ? 0.4697 0.3481 0.3926 0.0078  0.0431  0.0151  57 ALA A CA  
335  C C   . ALA A 57 ? 0.4633 0.3398 0.3770 0.0066  0.0385  0.0119  57 ALA A C   
336  O O   . ALA A 57 ? 0.4505 0.3356 0.3685 0.0029  0.0338  0.0078  57 ALA A O   
337  C CB  . ALA A 57 ? 0.4530 0.3342 0.3838 0.0055  0.0459  0.0166  57 ALA A CB  
338  N N   . ARG A 58 ? 0.5089 0.3740 0.4105 0.0092  0.0405  0.0132  58 ARG A N   
339  C CA  . ARG A 58 ? 0.5119 0.3747 0.4053 0.0077  0.0363  0.0098  58 ARG A CA  
340  C C   . ARG A 58 ? 0.5171 0.3683 0.4007 0.0091  0.0407  0.0128  58 ARG A C   
341  O O   . ARG A 58 ? 0.4899 0.3315 0.3680 0.0135  0.0458  0.0164  58 ARG A O   
342  C CB  . ARG A 58 ? 0.5765 0.4364 0.4621 0.0115  0.0307  0.0062  58 ARG A CB  
343  C CG  . ARG A 58 ? 0.6465 0.4995 0.5205 0.0123  0.0270  0.0029  58 ARG A CG  
344  C CD  . ARG A 58 ? 0.7273 0.5713 0.5889 0.0190  0.0219  0.0005  58 ARG A CD  
345  N NE  . ARG A 58 ? 0.8158 0.6677 0.6842 0.0208  0.0172  -0.0025 58 ARG A NE  
346  C CZ  . ARG A 58 ? 0.8683 0.7207 0.7329 0.0248  0.0087  -0.0086 58 ARG A CZ  
347  N NH1 . ARG A 58 ? 0.8873 0.7329 0.7416 0.0272  0.0036  -0.0127 58 ARG A NH1 
348  N NH2 . ARG A 58 ? 0.8914 0.7513 0.7630 0.0266  0.0049  -0.0112 58 ARG A NH2 
349  N N   . LYS A 59 ? 0.5142 0.3659 0.3959 0.0052  0.0394  0.0111  59 LYS A N   
350  C CA  . LYS A 59 ? 0.5444 0.3848 0.4147 0.0064  0.0419  0.0127  59 LYS A CA  
351  C C   . LYS A 59 ? 0.5458 0.3778 0.4030 0.0098  0.0385  0.0105  59 LYS A C   
352  O O   . LYS A 59 ? 0.5893 0.4263 0.4468 0.0079  0.0323  0.0052  59 LYS A O   
353  C CB  . LYS A 59 ? 0.5378 0.3808 0.4096 0.0009  0.0413  0.0113  59 LYS A CB  
354  C CG  . LYS A 59 ? 0.6017 0.4335 0.4628 0.0015  0.0440  0.0131  59 LYS A CG  
355  C CD  . LYS A 59 ? 0.6044 0.4364 0.4681 -0.0012 0.0457  0.0141  59 LYS A CD  
356  C CE  . LYS A 59 ? 0.6427 0.4831 0.5136 -0.0067 0.0433  0.0114  59 LYS A CE  
357  N NZ  . LYS A 59 ? 0.6570 0.4921 0.5244 -0.0081 0.0445  0.0124  59 LYS A NZ  
358  N N   . THR A 60 ? 0.5368 0.3558 0.3832 0.0153  0.0424  0.0140  60 THR A N   
359  C CA  . THR A 60 ? 0.5312 0.3386 0.3618 0.0202  0.0390  0.0123  60 THR A CA  
360  C C   . THR A 60 ? 0.5416 0.3390 0.3598 0.0203  0.0388  0.0118  60 THR A C   
361  O O   . THR A 60 ? 0.5480 0.3382 0.3544 0.0231  0.0333  0.0083  60 THR A O   
362  C CB  . THR A 60 ? 0.5495 0.3436 0.3705 0.0266  0.0445  0.0164  60 THR A CB  
363  O OG1 . THR A 60 ? 0.5306 0.3195 0.3530 0.0263  0.0536  0.0210  60 THR A OG1 
364  C CG2 . THR A 60 ? 0.5484 0.3489 0.3777 0.0275  0.0441  0.0164  60 THR A CG2 
365  N N   . LEU A 61 ? 0.5310 0.3269 0.3511 0.0179  0.0443  0.0149  61 LEU A N   
366  C CA  . LEU A 61 ? 0.5843 0.3708 0.3929 0.0175  0.0444  0.0145  61 LEU A CA  
367  C C   . LEU A 61 ? 0.6241 0.4187 0.4413 0.0112  0.0446  0.0137  61 LEU A C   
368  O O   . LEU A 61 ? 0.6352 0.4351 0.4623 0.0102  0.0483  0.0164  61 LEU A O   
369  C CB  . LEU A 61 ? 0.5820 0.3533 0.3795 0.0226  0.0518  0.0194  61 LEU A CB  
370  C CG  . LEU A 61 ? 0.6089 0.3671 0.3938 0.0291  0.0537  0.0210  61 LEU A CG  
371  C CD1 . LEU A 61 ? 0.6251 0.3684 0.4008 0.0329  0.0635  0.0256  61 LEU A CD1 
372  C CD2 . LEU A 61 ? 0.5838 0.3341 0.3536 0.0319  0.0455  0.0168  61 LEU A CD2 
373  N N   . ASN A 62 ? 0.6794 0.4744 0.4925 0.0071  0.0402  0.0092  62 ASN A N   
374  C CA  . ASN A 62 ? 0.7145 0.5128 0.5307 0.0008  0.0406  0.0077  62 ASN A CA  
375  C C   . ASN A 62 ? 0.7516 0.5363 0.5541 0.0020  0.0432  0.0095  62 ASN A C   
376  O O   . ASN A 62 ? 0.7937 0.5723 0.5865 0.0012  0.0403  0.0062  62 ASN A O   
377  C CB  . ASN A 62 ? 0.7280 0.5346 0.5489 -0.0055 0.0356  0.0006  62 ASN A CB  
378  N N   . SER A 63 ? 0.7388 0.5193 0.5414 0.0044  0.0483  0.0143  63 SER A N   
379  C CA  . SER A 63 ? 0.7428 0.5100 0.5337 0.0082  0.0521  0.0174  63 SER A CA  
380  C C   . SER A 63 ? 0.7694 0.5376 0.5668 0.0093  0.0560  0.0204  63 SER A C   
381  O O   . SER A 63 ? 0.7758 0.5508 0.5849 0.0117  0.0583  0.0223  63 SER A O   
382  C CB  . SER A 63 ? 0.7590 0.5190 0.5442 0.0145  0.0548  0.0199  63 SER A CB  
383  O OG  . SER A 63 ? 0.7516 0.4998 0.5285 0.0183  0.0603  0.0232  63 SER A OG  
384  N N   . LEU A 64 ? 0.7338 0.4947 0.5232 0.0078  0.0563  0.0203  64 LEU A N   
385  C CA  . LEU A 64 ? 0.7288 0.4895 0.5230 0.0098  0.0582  0.0221  64 LEU A CA  
386  C C   . LEU A 64 ? 0.7294 0.4872 0.5273 0.0165  0.0633  0.0251  64 LEU A C   
387  O O   . LEU A 64 ? 0.7624 0.5263 0.5727 0.0192  0.0647  0.0257  64 LEU A O   
388  C CB  . LEU A 64 ? 0.7636 0.5135 0.5444 0.0074  0.0573  0.0212  64 LEU A CB  
389  N N   . GLU A 65 ? 0.6982 0.4466 0.4859 0.0193  0.0662  0.0263  65 GLU A N   
390  C CA  . GLU A 65 ? 0.6942 0.4372 0.4835 0.0252  0.0726  0.0286  65 GLU A CA  
391  C C   . GLU A 65 ? 0.6616 0.4085 0.4593 0.0275  0.0772  0.0298  65 GLU A C   
392  O O   . GLU A 65 ? 0.6700 0.4150 0.4738 0.0314  0.0839  0.0309  65 GLU A O   
393  C CB  . GLU A 65 ? 0.7415 0.4691 0.5132 0.0275  0.0749  0.0295  65 GLU A CB  
394  N N   . ASP A 66 ? 0.6310 0.3823 0.4285 0.0252  0.0739  0.0290  66 ASP A N   
395  C CA  . ASP A 66 ? 0.6232 0.3747 0.4247 0.0277  0.0783  0.0302  66 ASP A CA  
396  C C   . ASP A 66 ? 0.6377 0.4012 0.4478 0.0245  0.0728  0.0286  66 ASP A C   
397  O O   . ASP A 66 ? 0.6868 0.4475 0.4884 0.0244  0.0691  0.0274  66 ASP A O   
398  C CB  . ASP A 66 ? 0.6191 0.3543 0.4018 0.0313  0.0812  0.0315  66 ASP A CB  
399  C CG  . ASP A 66 ? 0.6126 0.3418 0.3947 0.0348  0.0885  0.0333  66 ASP A CG  
400  O OD1 . ASP A 66 ? 0.6214 0.3594 0.4201 0.0344  0.0931  0.0337  66 ASP A OD1 
401  O OD2 . ASP A 66 ? 0.6000 0.3145 0.3641 0.0380  0.0894  0.0341  66 ASP A OD2 
402  N N   . LYS A 67 ? 0.6212 0.3976 0.4479 0.0224  0.0718  0.0279  67 LYS A N   
403  C CA  . LYS A 67 ? 0.6231 0.4117 0.4589 0.0188  0.0665  0.0261  67 LYS A CA  
404  C C   . LYS A 67 ? 0.5885 0.3805 0.4329 0.0209  0.0705  0.0272  67 LYS A C   
405  O O   . LYS A 67 ? 0.5710 0.3619 0.4229 0.0235  0.0774  0.0287  67 LYS A O   
406  C CB  . LYS A 67 ? 0.6596 0.4569 0.5048 0.0156  0.0632  0.0248  67 LYS A CB  
407  C CG  . LYS A 67 ? 0.7510 0.5582 0.6009 0.0106  0.0573  0.0223  67 LYS A CG  
408  C CD  . LYS A 67 ? 0.7635 0.5725 0.6135 0.0067  0.0541  0.0206  67 LYS A CD  
409  C CE  . LYS A 67 ? 0.8164 0.6175 0.6522 0.0030  0.0520  0.0187  67 LYS A CE  
410  N NZ  . LYS A 67 ? 0.8486 0.6555 0.6846 -0.0021 0.0484  0.0149  67 LYS A NZ  
411  N N   . ALA A 68 ? 0.5466 0.3419 0.3895 0.0199  0.0664  0.0260  68 ALA A N   
412  C CA  . ALA A 68 ? 0.5144 0.3100 0.3618 0.0222  0.0702  0.0272  68 ALA A CA  
413  C C   . ALA A 68 ? 0.4879 0.2962 0.3447 0.0194  0.0642  0.0251  68 ALA A C   
414  O O   . ALA A 68 ? 0.4891 0.3014 0.3425 0.0169  0.0571  0.0222  68 ALA A O   
415  C CB  . ALA A 68 ? 0.5310 0.3101 0.3602 0.0266  0.0731  0.0284  68 ALA A CB  
416  N N   . PHE A 69 ? 0.5003 0.3147 0.3696 0.0196  0.0677  0.0260  69 PHE A N   
417  C CA  . PHE A 69 ? 0.4935 0.3196 0.3723 0.0174  0.0629  0.0242  69 PHE A CA  
418  C C   . PHE A 69 ? 0.4731 0.2938 0.3498 0.0206  0.0669  0.0256  69 PHE A C   
419  O O   . PHE A 69 ? 0.4789 0.2912 0.3547 0.0229  0.0754  0.0278  69 PHE A O   
420  C CB  . PHE A 69 ? 0.4989 0.3378 0.3956 0.0146  0.0628  0.0238  69 PHE A CB  
421  C CG  . PHE A 69 ? 0.5214 0.3639 0.4185 0.0116  0.0586  0.0225  69 PHE A CG  
422  C CD1 . PHE A 69 ? 0.5352 0.3850 0.4332 0.0074  0.0524  0.0199  69 PHE A CD1 
423  C CD2 . PHE A 69 ? 0.5442 0.3811 0.4394 0.0130  0.0616  0.0234  69 PHE A CD2 
424  C CE1 . PHE A 69 ? 0.5676 0.4171 0.4626 0.0043  0.0499  0.0186  69 PHE A CE1 
425  C CE2 . PHE A 69 ? 0.5698 0.4068 0.4620 0.0107  0.0578  0.0223  69 PHE A CE2 
426  C CZ  . PHE A 69 ? 0.5727 0.4150 0.4637 0.0061  0.0524  0.0200  69 PHE A CZ  
427  N N   . GLN A 70 ? 0.4715 0.2956 0.3463 0.0207  0.0613  0.0237  70 GLN A N   
428  C CA  . GLN A 70 ? 0.4973 0.3162 0.3705 0.0236  0.0650  0.0250  70 GLN A CA  
429  C C   . GLN A 70 ? 0.4690 0.3030 0.3577 0.0208  0.0612  0.0234  70 GLN A C   
430  O O   . GLN A 70 ? 0.4637 0.3091 0.3580 0.0178  0.0539  0.0206  70 GLN A O   
431  C CB  . GLN A 70 ? 0.5552 0.3584 0.4074 0.0288  0.0629  0.0247  70 GLN A CB  
432  C CG  . GLN A 70 ? 0.5700 0.3789 0.4183 0.0293  0.0516  0.0203  70 GLN A CG  
433  C CD  . GLN A 70 ? 0.5898 0.3829 0.4190 0.0361  0.0491  0.0197  70 GLN A CD  
434  O OE1 . GLN A 70 ? 0.6173 0.4140 0.4474 0.0380  0.0438  0.0173  70 GLN A OE1 
435  N NE2 . GLN A 70 ? 0.5738 0.3476 0.3837 0.0405  0.0528  0.0215  70 GLN A NE2 
436  N N   . LEU A 71 ? 0.4627 0.2959 0.3581 0.0214  0.0673  0.0250  71 LEU A N   
437  C CA  . LEU A 71 ? 0.4700 0.3162 0.3803 0.0190  0.0650  0.0240  71 LEU A CA  
438  C C   . LEU A 71 ? 0.4693 0.3068 0.3720 0.0223  0.0672  0.0246  71 LEU A C   
439  O O   . LEU A 71 ? 0.4743 0.2956 0.3652 0.0254  0.0748  0.0268  71 LEU A O   
440  C CB  . LEU A 71 ? 0.4688 0.3231 0.3972 0.0164  0.0702  0.0245  71 LEU A CB  
441  C CG  . LEU A 71 ? 0.4967 0.3580 0.4313 0.0140  0.0673  0.0236  71 LEU A CG  
442  C CD1 . LEU A 71 ? 0.5099 0.3639 0.4450 0.0156  0.0749  0.0249  71 LEU A CD1 
443  C CD2 . LEU A 71 ? 0.4862 0.3619 0.4375 0.0110  0.0634  0.0220  71 LEU A CD2 
444  N N   . THR A 72 ? 0.4606 0.3075 0.3685 0.0216  0.0607  0.0226  72 THR A N   
445  C CA  . THR A 72 ? 0.5036 0.3437 0.4063 0.0246  0.0622  0.0231  72 THR A CA  
446  C C   . THR A 72 ? 0.4979 0.3532 0.4189 0.0211  0.0608  0.0221  72 THR A C   
447  O O   . THR A 72 ? 0.4473 0.3167 0.3770 0.0186  0.0532  0.0196  72 THR A O   
448  C CB  . THR A 72 ? 0.5146 0.3479 0.4010 0.0294  0.0541  0.0207  72 THR A CB  
449  O OG1 . THR A 72 ? 0.5679 0.3870 0.4374 0.0326  0.0549  0.0214  72 THR A OG1 
450  C CG2 . THR A 72 ? 0.5391 0.3610 0.4156 0.0337  0.0558  0.0214  72 THR A CG2 
451  N N   . PRO A 73 ? 0.5343 0.3865 0.4618 0.0205  0.0687  0.0238  73 PRO A N   
452  C CA  . PRO A 73 ? 0.5440 0.4086 0.4872 0.0179  0.0671  0.0227  73 PRO A CA  
453  C C   . PRO A 73 ? 0.5649 0.4308 0.5007 0.0204  0.0591  0.0209  73 PRO A C   
454  O O   . PRO A 73 ? 0.5872 0.4396 0.5050 0.0252  0.0578  0.0210  73 PRO A O   
455  C CB  . PRO A 73 ? 0.5496 0.4062 0.4971 0.0174  0.0781  0.0243  73 PRO A CB  
456  C CG  . PRO A 73 ? 0.5898 0.4255 0.5183 0.0208  0.0860  0.0264  73 PRO A CG  
457  C CD  . PRO A 73 ? 0.5652 0.4010 0.4854 0.0221  0.0803  0.0262  73 PRO A CD  
458  N N   . ILE A 74 ? 0.5328 0.4145 0.4822 0.0175  0.0532  0.0188  74 ILE A N   
459  C CA  . ILE A 74 ? 0.5486 0.4339 0.4948 0.0196  0.0460  0.0163  74 ILE A CA  
460  C C   . ILE A 74 ? 0.5476 0.4381 0.5048 0.0180  0.0482  0.0168  74 ILE A C   
461  O O   . ILE A 74 ? 0.4966 0.3987 0.4699 0.0136  0.0490  0.0166  74 ILE A O   
462  C CB  . ILE A 74 ? 0.5325 0.4320 0.4849 0.0170  0.0374  0.0126  74 ILE A CB  
463  C CG1 . ILE A 74 ? 0.5610 0.4558 0.5031 0.0181  0.0349  0.0114  74 ILE A CG1 
464  C CG2 . ILE A 74 ? 0.5456 0.4526 0.5003 0.0183  0.0306  0.0090  74 ILE A CG2 
465  C CD1 . ILE A 74 ? 0.5688 0.4494 0.4926 0.0247  0.0325  0.0105  74 ILE A CD1 
466  N N   . ALA A 75 ? 0.5510 0.4314 0.4981 0.0220  0.0489  0.0171  75 ALA A N   
467  C CA  . ALA A 75 ? 0.5707 0.4546 0.5259 0.0210  0.0503  0.0171  75 ALA A CA  
468  C C   . ALA A 75 ? 0.5464 0.4461 0.5103 0.0200  0.0409  0.0137  75 ALA A C   
469  O O   . ALA A 75 ? 0.6069 0.5065 0.5624 0.0236  0.0338  0.0108  75 ALA A O   
470  C CB  . ALA A 75 ? 0.6019 0.4666 0.5400 0.0260  0.0545  0.0186  75 ALA A CB  
471  N N   . VAL A 76 ? 0.5007 0.4136 0.4817 0.0153  0.0410  0.0134  76 VAL A N   
472  C CA  . VAL A 76 ? 0.4553 0.3832 0.4462 0.0129  0.0341  0.0103  76 VAL A CA  
473  C C   . VAL A 76 ? 0.4293 0.3573 0.4220 0.0144  0.0334  0.0099  76 VAL A C   
474  O O   . VAL A 76 ? 0.3794 0.3062 0.3793 0.0126  0.0385  0.0117  76 VAL A O   
475  C CB  . VAL A 76 ? 0.4788 0.4167 0.4833 0.0076  0.0350  0.0105  76 VAL A CB  
476  C CG1 . VAL A 76 ? 0.5154 0.4502 0.5282 0.0063  0.0418  0.0129  76 VAL A CG1 
477  C CG2 . VAL A 76 ? 0.4983 0.4491 0.5120 0.0045  0.0296  0.0077  76 VAL A CG2 
478  N N   . GLN A 77 ? 0.3862 0.3144 0.3720 0.0183  0.0274  0.0070  77 GLN A N   
479  C CA  . GLN A 77 ? 0.3670 0.2946 0.3537 0.0201  0.0265  0.0065  77 GLN A CA  
480  C C   . GLN A 77 ? 0.3278 0.2720 0.3307 0.0153  0.0235  0.0045  77 GLN A C   
481  O O   . GLN A 77 ? 0.3167 0.2712 0.3256 0.0123  0.0200  0.0021  77 GLN A O   
482  C CB  . GLN A 77 ? 0.3691 0.2910 0.3430 0.0269  0.0202  0.0035  77 GLN A CB  
483  N N   . MET A 78 ? 0.3221 0.2665 0.3308 0.0144  0.0258  0.0057  78 MET A N   
484  C CA  . MET A 78 ? 0.3178 0.2750 0.3402 0.0101  0.0237  0.0044  78 MET A CA  
485  C C   . MET A 78 ? 0.3084 0.2660 0.3304 0.0125  0.0213  0.0030  78 MET A C   
486  O O   . MET A 78 ? 0.3117 0.2575 0.3244 0.0164  0.0239  0.0046  78 MET A O   
487  C CB  . MET A 78 ? 0.3223 0.2792 0.3543 0.0066  0.0290  0.0069  78 MET A CB  
488  C CG  . MET A 78 ? 0.3508 0.3092 0.3851 0.0042  0.0302  0.0076  78 MET A CG  
489  S SD  . MET A 78 ? 0.3616 0.3227 0.4101 0.0008  0.0339  0.0085  78 MET A SD  
490  C CE  . MET A 78 ? 0.3928 0.3423 0.4401 0.0024  0.0423  0.0104  78 MET A CE  
491  N N   . THR A 79 ? 0.2668 0.2357 0.2974 0.0102  0.0174  0.0004  79 THR A N   
492  C CA  . THR A 79 ? 0.2540 0.2236 0.2846 0.0126  0.0150  -0.0010 79 THR A CA  
493  C C   . THR A 79 ? 0.2338 0.2092 0.2757 0.0085  0.0163  -0.0002 79 THR A C   
494  O O   . THR A 79 ? 0.2072 0.1907 0.2563 0.0045  0.0151  -0.0012 79 THR A O   
495  C CB  . THR A 79 ? 0.2669 0.2449 0.2970 0.0148  0.0085  -0.0062 79 THR A CB  
496  O OG1 . THR A 79 ? 0.3032 0.2739 0.3221 0.0198  0.0065  -0.0073 79 THR A OG1 
497  C CG2 . THR A 79 ? 0.2613 0.2421 0.2930 0.0173  0.0053  -0.0087 79 THR A CG2 
498  N N   . LYS A 80 ? 0.2385 0.2089 0.2805 0.0098  0.0181  0.0009  80 LYS A N   
499  C CA  . LYS A 80 ? 0.2431 0.2193 0.2951 0.0068  0.0176  0.0005  80 LYS A CA  
500  C C   . LYS A 80 ? 0.2481 0.2317 0.3003 0.0080  0.0123  -0.0028 80 LYS A C   
501  O O   . LYS A 80 ? 0.2820 0.2626 0.3268 0.0127  0.0101  -0.0044 80 LYS A O   
502  C CB  . LYS A 80 ? 0.2757 0.2427 0.3277 0.0074  0.0224  0.0027  80 LYS A CB  
503  C CG  . LYS A 80 ? 0.2905 0.2613 0.3515 0.0053  0.0217  0.0019  80 LYS A CG  
504  C CD  . LYS A 80 ? 0.3468 0.3064 0.4050 0.0065  0.0269  0.0033  80 LYS A CD  
505  C CE  . LYS A 80 ? 0.3779 0.3319 0.4422 0.0036  0.0341  0.0047  80 LYS A CE  
506  N NZ  . LYS A 80 ? 0.4179 0.3603 0.4804 0.0034  0.0410  0.0053  80 LYS A NZ  
507  N N   . LEU A 81 ? 0.2184 0.2105 0.2784 0.0043  0.0104  -0.0044 81 LEU A N   
508  C CA  . LEU A 81 ? 0.2256 0.2252 0.2872 0.0045  0.0068  -0.0082 81 LEU A CA  
509  C C   . LEU A 81 ? 0.2275 0.2255 0.2914 0.0053  0.0065  -0.0077 81 LEU A C   
510  O O   . LEU A 81 ? 0.2265 0.2210 0.2946 0.0035  0.0086  -0.0053 81 LEU A O   
511  C CB  . LEU A 81 ? 0.2184 0.2248 0.2843 -0.0003 0.0062  -0.0101 81 LEU A CB  
512  C CG  . LEU A 81 ? 0.2142 0.2212 0.2777 -0.0020 0.0072  -0.0104 81 LEU A CG  
513  C CD1 . LEU A 81 ? 0.2085 0.2202 0.2736 -0.0067 0.0073  -0.0131 81 LEU A CD1 
514  C CD2 . LEU A 81 ? 0.2142 0.2225 0.2736 0.0015  0.0055  -0.0130 81 LEU A CD2 
515  N N   . ALA A 82 ? 0.2202 0.2210 0.2822 0.0084  0.0036  -0.0108 82 ALA A N   
516  C CA  . ALA A 82 ? 0.2255 0.2241 0.2884 0.0097  0.0031  -0.0106 82 ALA A CA  
517  C C   . ALA A 82 ? 0.2180 0.2239 0.2872 0.0061  0.0017  -0.0126 82 ALA A C   
518  O O   . ALA A 82 ? 0.2139 0.2175 0.2857 0.0052  0.0019  -0.0115 82 ALA A O   
519  C CB  . ALA A 82 ? 0.2388 0.2353 0.2951 0.0158  0.0001  -0.0130 82 ALA A CB  
520  N N   . THR A 83 ? 0.2074 0.2209 0.2784 0.0041  0.0007  -0.0162 83 THR A N   
521  C CA  . THR A 83 ? 0.2112 0.2290 0.2854 0.0005  0.0007  -0.0185 83 THR A CA  
522  C C   . THR A 83 ? 0.2061 0.2270 0.2804 -0.0038 0.0024  -0.0202 83 THR A C   
523  O O   . THR A 83 ? 0.1973 0.2199 0.2708 -0.0035 0.0028  -0.0209 83 THR A O   
524  C CB  . THR A 83 ? 0.2234 0.2471 0.2993 0.0026  -0.0009 -0.0233 83 THR A CB  
525  O OG1 . THR A 83 ? 0.2372 0.2691 0.3157 0.0032  -0.0016 -0.0289 83 THR A OG1 
526  C CG2 . THR A 83 ? 0.2349 0.2549 0.3088 0.0078  -0.0030 -0.0224 83 THR A CG2 
527  N N   . THR A 84 ? 0.2047 0.2250 0.2784 -0.0076 0.0036  -0.0212 84 THR A N   
528  C CA  . THR A 84 ? 0.2293 0.2500 0.3006 -0.0122 0.0063  -0.0234 84 THR A CA  
529  C C   . THR A 84 ? 0.2205 0.2499 0.2954 -0.0132 0.0078  -0.0296 84 THR A C   
530  O O   . THR A 84 ? 0.2168 0.2469 0.2905 -0.0170 0.0107  -0.0317 84 THR A O   
531  C CB  . THR A 84 ? 0.2386 0.2528 0.3048 -0.0155 0.0076  -0.0232 84 THR A CB  
532  O OG1 . THR A 84 ? 0.2556 0.2731 0.3235 -0.0155 0.0082  -0.0266 84 THR A OG1 
533  C CG2 . THR A 84 ? 0.2350 0.2418 0.2996 -0.0140 0.0048  -0.0187 84 THR A CG2 
534  N N   . GLU A 85 ? 0.2190 0.2550 0.2988 -0.0093 0.0056  -0.0329 85 GLU A N   
535  C CA  . GLU A 85 ? 0.2310 0.2767 0.3168 -0.0094 0.0059  -0.0401 85 GLU A CA  
536  C C   . GLU A 85 ? 0.2208 0.2675 0.3061 -0.0085 0.0049  -0.0400 85 GLU A C   
537  O O   . GLU A 85 ? 0.2183 0.2727 0.3090 -0.0099 0.0055  -0.0464 85 GLU A O   
538  C CB  . GLU A 85 ? 0.2610 0.3129 0.3516 -0.0035 0.0019  -0.0440 85 GLU A CB  
539  C CG  . GLU A 85 ? 0.2866 0.3385 0.3783 -0.0044 0.0031  -0.0450 85 GLU A CG  
540  C CD  . GLU A 85 ? 0.3371 0.3936 0.4327 -0.0105 0.0085  -0.0508 85 GLU A CD  
541  O OE1 . GLU A 85 ? 0.3355 0.3999 0.4376 -0.0126 0.0104  -0.0572 85 GLU A OE1 
542  O OE2 . GLU A 85 ? 0.4046 0.4554 0.4961 -0.0133 0.0113  -0.0492 85 GLU A OE2 
543  N N   . GLU A 86 ? 0.2126 0.2516 0.2922 -0.0062 0.0035  -0.0335 86 GLU A N   
544  C CA  . GLU A 86 ? 0.2177 0.2561 0.2952 -0.0045 0.0024  -0.0332 86 GLU A CA  
545  C C   . GLU A 86 ? 0.2166 0.2521 0.2916 -0.0102 0.0061  -0.0317 86 GLU A C   
546  O O   . GLU A 86 ? 0.2209 0.2558 0.2941 -0.0099 0.0059  -0.0316 86 GLU A O   
547  C CB  . GLU A 86 ? 0.2267 0.2567 0.2985 0.0003  0.0006  -0.0272 86 GLU A CB  
548  C CG  . GLU A 86 ? 0.2442 0.2746 0.3151 0.0071  -0.0033 -0.0293 86 GLU A CG  
549  C CD  . GLU A 86 ? 0.2471 0.2663 0.3103 0.0113  -0.0033 -0.0235 86 GLU A CD  
550  O OE1 . GLU A 86 ? 0.2576 0.2707 0.3151 0.0129  -0.0027 -0.0211 86 GLU A OE1 
551  O OE2 . GLU A 86 ? 0.2500 0.2658 0.3129 0.0123  -0.0030 -0.0214 86 GLU A OE2 
552  N N   . LEU A 87 ? 0.2097 0.2417 0.2829 -0.0149 0.0093  -0.0305 87 LEU A N   
553  C CA  . LEU A 87 ? 0.2317 0.2587 0.2999 -0.0198 0.0126  -0.0295 87 LEU A CA  
554  C C   . LEU A 87 ? 0.2430 0.2762 0.3146 -0.0242 0.0160  -0.0367 87 LEU A C   
555  O O   . LEU A 87 ? 0.2445 0.2820 0.3200 -0.0262 0.0180  -0.0413 87 LEU A O   
556  C CB  . LEU A 87 ? 0.2385 0.2566 0.3007 -0.0223 0.0142  -0.0262 87 LEU A CB  
557  C CG  . LEU A 87 ? 0.2423 0.2544 0.3031 -0.0189 0.0112  -0.0201 87 LEU A CG  
558  C CD1 . LEU A 87 ? 0.2595 0.2640 0.3156 -0.0202 0.0109  -0.0186 87 LEU A CD1 
559  C CD2 . LEU A 87 ? 0.2632 0.2716 0.3215 -0.0184 0.0112  -0.0170 87 LEU A CD2 
560  N N   . PRO A 88 ? 0.2543 0.2878 0.3249 -0.0262 0.0173  -0.0381 88 PRO A N   
561  C CA  . PRO A 88 ? 0.2700 0.3099 0.3455 -0.0312 0.0212  -0.0461 88 PRO A CA  
562  C C   . PRO A 88 ? 0.2881 0.3210 0.3579 -0.0382 0.0282  -0.0474 88 PRO A C   
563  O O   . PRO A 88 ? 0.3159 0.3378 0.3760 -0.0384 0.0287  -0.0417 88 PRO A O   
564  C CB  . PRO A 88 ? 0.2675 0.3045 0.3393 -0.0322 0.0214  -0.0450 88 PRO A CB  
565  C CG  . PRO A 88 ? 0.2818 0.3150 0.3501 -0.0259 0.0164  -0.0382 88 PRO A CG  
566  C CD  . PRO A 88 ? 0.2695 0.2970 0.3346 -0.0242 0.0158  -0.0328 88 PRO A CD  
567  N N   . ASP A 89 ? 0.2946 0.3320 0.3691 -0.0442 0.0339  -0.0552 89 ASP A N   
568  C CA  . ASP A 89 ? 0.3200 0.3481 0.3867 -0.0515 0.0424  -0.0572 89 ASP A CA  
569  C C   . ASP A 89 ? 0.3165 0.3292 0.3679 -0.0546 0.0454  -0.0523 89 ASP A C   
570  O O   . ASP A 89 ? 0.3046 0.3030 0.3426 -0.0577 0.0497  -0.0500 89 ASP A O   
571  C CB  . ASP A 89 ? 0.3450 0.3827 0.4229 -0.0577 0.0491  -0.0682 89 ASP A CB  
572  C CG  . ASP A 89 ? 0.3632 0.4131 0.4542 -0.0560 0.0485  -0.0744 89 ASP A CG  
573  O OD1 . ASP A 89 ? 0.3754 0.4244 0.4646 -0.0506 0.0436  -0.0696 89 ASP A OD1 
574  O OD2 . ASP A 89 ? 0.4101 0.4704 0.5138 -0.0603 0.0532  -0.0846 89 ASP A OD2 
575  N N   . GLU A 90 ? 0.3072 0.3220 0.3597 -0.0536 0.0430  -0.0513 90 GLU A N   
576  C CA  . GLU A 90 ? 0.3281 0.3290 0.3667 -0.0552 0.0445  -0.0464 90 GLU A CA  
577  C C   . GLU A 90 ? 0.2991 0.3030 0.3397 -0.0489 0.0373  -0.0411 90 GLU A C   
578  O O   . GLU A 90 ? 0.2773 0.2934 0.3289 -0.0457 0.0334  -0.0438 90 GLU A O   
579  C CB  . GLU A 90 ? 0.3656 0.3636 0.4017 -0.0625 0.0517  -0.0520 90 GLU A CB  
580  C CG  . GLU A 90 ? 0.4250 0.4196 0.4599 -0.0705 0.0615  -0.0590 90 GLU A CG  
581  C CD  . GLU A 90 ? 0.4891 0.4841 0.5261 -0.0780 0.0688  -0.0660 90 GLU A CD  
582  O OE1 . GLU A 90 ? 0.5216 0.5040 0.5454 -0.0797 0.0705  -0.0625 90 GLU A OE1 
583  O OE2 . GLU A 90 ? 0.5388 0.5479 0.5920 -0.0817 0.0722  -0.0756 90 GLU A OE2 
584  N N   . PHE A 91 ? 0.2765 0.2686 0.3060 -0.0467 0.0354  -0.0341 91 PHE A N   
585  C CA  . PHE A 91 ? 0.2549 0.2483 0.2859 -0.0411 0.0300  -0.0290 91 PHE A CA  
586  C C   . PHE A 91 ? 0.2610 0.2399 0.2791 -0.0407 0.0299  -0.0237 91 PHE A C   
587  O O   . PHE A 91 ? 0.2827 0.2505 0.2902 -0.0436 0.0328  -0.0239 91 PHE A O   
588  C CB  . PHE A 91 ? 0.2342 0.2352 0.2738 -0.0349 0.0246  -0.0266 91 PHE A CB  
589  C CG  . PHE A 91 ? 0.2291 0.2261 0.2670 -0.0338 0.0235  -0.0242 91 PHE A CG  
590  C CD1 . PHE A 91 ? 0.2230 0.2128 0.2572 -0.0303 0.0204  -0.0187 91 PHE A CD1 
591  C CD2 . PHE A 91 ? 0.2328 0.2333 0.2734 -0.0361 0.0257  -0.0284 91 PHE A CD2 
592  C CE1 . PHE A 91 ? 0.2241 0.2105 0.2574 -0.0289 0.0185  -0.0173 91 PHE A CE1 
593  C CE2 . PHE A 91 ? 0.2207 0.2168 0.2589 -0.0347 0.0243  -0.0263 91 PHE A CE2 
594  C CZ  . PHE A 91 ? 0.2190 0.2080 0.2534 -0.0310 0.0203  -0.0208 91 PHE A CZ  
595  N N   . VAL A 92 ? 0.2459 0.2238 0.2641 -0.0368 0.0267  -0.0196 92 VAL A N   
596  C CA  . VAL A 92 ? 0.2552 0.2212 0.2640 -0.0348 0.0252  -0.0151 92 VAL A CA  
597  C C   . VAL A 92 ? 0.2466 0.2158 0.2627 -0.0290 0.0203  -0.0113 92 VAL A C   
598  O O   . VAL A 92 ? 0.2292 0.2078 0.2552 -0.0264 0.0188  -0.0109 92 VAL A O   
599  C CB  . VAL A 92 ? 0.2591 0.2200 0.2621 -0.0352 0.0262  -0.0139 92 VAL A CB  
600  C CG1 . VAL A 92 ? 0.2739 0.2306 0.2695 -0.0417 0.0319  -0.0183 92 VAL A CG1 
601  C CG2 . VAL A 92 ? 0.2678 0.2381 0.2800 -0.0318 0.0242  -0.0128 92 VAL A CG2 
602  N N   . VAL A 93 ? 0.2488 0.2087 0.2592 -0.0268 0.0178  -0.0089 93 VAL A N   
603  C CA  . VAL A 93 ? 0.2538 0.2166 0.2728 -0.0219 0.0136  -0.0063 93 VAL A CA  
604  C C   . VAL A 93 ? 0.2667 0.2233 0.2830 -0.0191 0.0119  -0.0042 93 VAL A C   
605  O O   . VAL A 93 ? 0.2824 0.2277 0.2871 -0.0193 0.0110  -0.0045 93 VAL A O   
606  C CB  . VAL A 93 ? 0.2585 0.2173 0.2761 -0.0207 0.0106  -0.0068 93 VAL A CB  
607  C CG1 . VAL A 93 ? 0.2554 0.2177 0.2840 -0.0160 0.0063  -0.0051 93 VAL A CG1 
608  C CG2 . VAL A 93 ? 0.2688 0.2328 0.2879 -0.0237 0.0129  -0.0092 93 VAL A CG2 
609  N N   . VAL A 94 ? 0.2521 0.2147 0.2780 -0.0165 0.0119  -0.0024 94 VAL A N   
610  C CA  . VAL A 94 ? 0.2645 0.2230 0.2912 -0.0134 0.0106  -0.0009 94 VAL A CA  
611  C C   . VAL A 94 ? 0.2795 0.2416 0.3184 -0.0098 0.0077  -0.0008 94 VAL A C   
612  O O   . VAL A 94 ? 0.2746 0.2441 0.3233 -0.0095 0.0092  -0.0003 94 VAL A O   
613  C CB  . VAL A 94 ? 0.2513 0.2126 0.2793 -0.0135 0.0140  0.0004  94 VAL A CB  
614  C CG1 . VAL A 94 ? 0.2550 0.2125 0.2854 -0.0102 0.0134  0.0017  94 VAL A CG1 
615  C CG2 . VAL A 94 ? 0.2603 0.2191 0.2781 -0.0173 0.0166  -0.0006 94 VAL A CG2 
616  N N   . THR A 95 ? 0.3022 0.2582 0.3395 -0.0071 0.0032  -0.0019 95 THR A N   
617  C CA  . THR A 95 ? 0.3351 0.2945 0.3855 -0.0035 -0.0005 -0.0034 95 THR A CA  
618  C C   . THR A 95 ? 0.3749 0.3345 0.4327 -0.0005 -0.0006 -0.0038 95 THR A C   
619  O O   . THR A 95 ? 0.3864 0.3383 0.4352 0.0011  -0.0028 -0.0042 95 THR A O   
620  C CB  . THR A 95 ? 0.3578 0.3099 0.4020 -0.0015 -0.0069 -0.0057 95 THR A CB  
621  O OG1 . THR A 95 ? 0.3738 0.3250 0.4103 -0.0048 -0.0055 -0.0055 95 THR A OG1 
622  C CG2 . THR A 95 ? 0.3508 0.3075 0.4104 0.0022  -0.0117 -0.0084 95 THR A CG2 
623  N N   . VAL A 96 ? 0.3762 0.3435 0.4490 -0.0001 0.0027  -0.0037 96 VAL A N   
624  C CA  . VAL A 96 ? 0.4278 0.3966 0.5108 0.0022  0.0043  -0.0048 96 VAL A CA  
625  C C   . VAL A 96 ? 0.4526 0.4250 0.5512 0.0055  -0.0005 -0.0093 96 VAL A C   
626  O O   . VAL A 96 ? 0.4152 0.3919 0.5216 0.0047  -0.0014 -0.0105 96 VAL A O   
627  C CB  . VAL A 96 ? 0.3974 0.3700 0.4856 0.0003  0.0125  -0.0024 96 VAL A CB  
628  C CG1 . VAL A 96 ? 0.4371 0.4099 0.5345 0.0023  0.0157  -0.0036 96 VAL A CG1 
629  C CG2 . VAL A 96 ? 0.4392 0.4088 0.5124 -0.0022 0.0154  0.0008  96 VAL A CG2 
630  N N   . LYS A 97 ? 0.5004 0.4707 0.6030 0.0094  -0.0042 -0.0123 97 LYS A N   
631  C CA  . LYS A 97 ? 0.5782 0.5529 0.6983 0.0134  -0.0096 -0.0183 97 LYS A CA  
632  C C   . LYS A 97 ? 0.6543 0.6282 0.7735 0.0144  -0.0165 -0.0204 97 LYS A C   
633  O O   . LYS A 97 ? 0.7188 0.6844 0.8189 0.0138  -0.0195 -0.0180 97 LYS A O   
634  C CB  . LYS A 97 ? 0.6029 0.5868 0.7448 0.0120  -0.0021 -0.0203 97 LYS A CB  
635  C CG  . LYS A 97 ? 0.6474 0.6370 0.8105 0.0162  -0.0058 -0.0277 97 LYS A CG  
636  C CD  . LYS A 97 ? 0.7090 0.7077 0.8944 0.0147  -0.0041 -0.0324 97 LYS A CD  
637  C CE  . LYS A 97 ? 0.7758 0.7827 0.9872 0.0156  -0.0001 -0.0392 97 LYS A CE  
638  N NZ  . LYS A 97 ? 0.8274 0.8326 1.0388 0.0205  -0.0041 -0.0420 97 LYS A NZ  
639  O OXT . LYS A 97 ? 0.7225 0.7032 0.8590 0.0153  -0.0187 -0.0246 97 LYS A OXT 
640  N N   . ASP B 2  ? 1.0068 0.7828 0.8686 0.1982  0.1892  0.0427  2  ASP B N   
641  C CA  . ASP B 2  ? 0.9467 0.7384 0.8288 0.1822  0.1722  0.0370  2  ASP B CA  
642  C C   . ASP B 2  ? 0.9451 0.7247 0.7998 0.1877  0.1494  0.0314  2  ASP B C   
643  O O   . ASP B 2  ? 0.9548 0.7018 0.7618 0.1974  0.1452  0.0346  2  ASP B O   
644  C CB  . ASP B 2  ? 0.9405 0.7171 0.8100 0.1656  0.1734  0.0434  2  ASP B CB  
645  C CG  . ASP B 2  ? 0.9345 0.7116 0.8176 0.1635  0.1977  0.0504  2  ASP B CG  
646  O OD1 . ASP B 2  ? 0.9624 0.7590 0.8772 0.1707  0.2154  0.0494  2  ASP B OD1 
647  O OD2 . ASP B 2  ? 0.8841 0.6411 0.7447 0.1558  0.1993  0.0565  2  ASP B OD2 
648  N N   . PRO B 3  ? 0.9262 0.7280 0.8069 0.1827  0.1346  0.0228  3  PRO B N   
649  C CA  . PRO B 3  ? 0.9365 0.7230 0.7879 0.1900  0.1149  0.0177  3  PRO B CA  
650  C C   . PRO B 3  ? 0.9524 0.6990 0.7522 0.1799  0.1057  0.0233  3  PRO B C   
651  O O   . PRO B 3  ? 0.9243 0.6640 0.7204 0.1650  0.1100  0.0287  3  PRO B O   
652  C CB  . PRO B 3  ? 0.9086 0.7289 0.8028 0.1854  0.1036  0.0077  3  PRO B CB  
653  C CG  . PRO B 3  ? 0.8626 0.7036 0.7946 0.1672  0.1138  0.0102  3  PRO B CG  
654  C CD  . PRO B 3  ? 0.8968 0.7352 0.8322 0.1703  0.1362  0.0175  3  PRO B CD  
655  N N   . LYS B 4  ? 0.9781 0.6980 0.7380 0.1887  0.0935  0.0210  4  LYS B N   
656  C CA  . LYS B 4  ? 0.9897 0.6733 0.7048 0.1777  0.0844  0.0237  4  LYS B CA  
657  C C   . LYS B 4  ? 0.9874 0.6849 0.7218 0.1615  0.0753  0.0206  4  LYS B C   
658  O O   . LYS B 4  ? 0.9619 0.6916 0.7361 0.1635  0.0722  0.0150  4  LYS B O   
659  C CB  . LYS B 4  ? 1.0041 0.6541 0.6729 0.1926  0.0766  0.0216  4  LYS B CB  
660  N N   . ILE B 5  ? 1.0147 0.6892 0.7227 0.1456  0.0713  0.0234  5  ILE B N   
661  C CA  . ILE B 5  ? 1.0226 0.7060 0.7430 0.1300  0.0639  0.0213  5  ILE B CA  
662  C C   . ILE B 5  ? 1.0218 0.7188 0.7562 0.1399  0.0546  0.0145  5  ILE B C   
663  O O   . ILE B 5  ? 0.9413 0.6677 0.7131 0.1351  0.0514  0.0109  5  ILE B O   
664  C CB  . ILE B 5  ? 1.0432 0.6925 0.7229 0.1168  0.0596  0.0226  5  ILE B CB  
665  C CG1 . ILE B 5  ? 1.0620 0.6977 0.7261 0.1084  0.0655  0.0267  5  ILE B CG1 
666  C CG2 . ILE B 5  ? 1.0558 0.7146 0.7477 0.1025  0.0532  0.0202  5  ILE B CG2 
667  C CD1 . ILE B 5  ? 1.0039 0.6650 0.6992 0.0967  0.0693  0.0285  5  ILE B CD1 
668  N N   . SER B 6  ? 1.0490 0.7215 0.7497 0.1556  0.0497  0.0124  6  SER B N   
669  C CA  . SER B 6  ? 1.1026 0.7830 0.8081 0.1726  0.0397  0.0049  6  SER B CA  
670  C C   . SER B 6  ? 1.1241 0.8401 0.8698 0.1884  0.0430  0.0001  6  SER B C   
671  O O   . SER B 6  ? 1.2339 0.9399 0.9623 0.2070  0.0443  -0.0009 6  SER B O   
672  C CB  . SER B 6  ? 1.1340 0.7689 0.7817 0.1845  0.0346  0.0048  6  SER B CB  
673  O OG  . SER B 6  ? 1.1444 0.7556 0.7637 0.1898  0.0424  0.0096  6  SER B OG  
674  N N   . GLU B 7  ? 1.0496 0.8067 0.8496 0.1803  0.0457  -0.0028 7  GLU B N   
675  C CA  . GLU B 7  ? 1.0222 0.8197 0.8713 0.1918  0.0488  -0.0100 7  GLU B CA  
676  C C   . GLU B 7  ? 0.9965 0.8288 0.8981 0.1748  0.0545  -0.0110 7  GLU B C   
677  O O   . GLU B 7  ? 0.9964 0.8665 0.9474 0.1793  0.0551  -0.0197 7  GLU B O   
678  C CB  . GLU B 7  ? 1.0233 0.8180 0.8673 0.2039  0.0618  -0.0065 7  GLU B CB  
679  N N   . MET B 8  ? 0.9901 0.8089 0.8802 0.1554  0.0583  -0.0032 8  MET B N   
680  C CA  . MET B 8  ? 0.9468 0.7908 0.8776 0.1392  0.0644  -0.0027 8  MET B CA  
681  C C   . MET B 8  ? 0.9316 0.7923 0.8831 0.1358  0.0499  -0.0112 8  MET B C   
682  O O   . MET B 8  ? 0.9319 0.7714 0.8510 0.1367  0.0377  -0.0118 8  MET B O   
683  C CB  . MET B 8  ? 0.9317 0.7544 0.8388 0.1227  0.0709  0.0072  8  MET B CB  
684  C CG  . MET B 8  ? 0.9550 0.7569 0.8362 0.1261  0.0835  0.0153  8  MET B CG  
685  S SD  . MET B 8  ? 0.9399 0.7143 0.7860 0.1098  0.0841  0.0232  8  MET B SD  
686  C CE  . MET B 8  ? 0.8717 0.6733 0.7602 0.0954  0.0901  0.0238  8  MET B CE  
687  N N   . HIS B 9  ? 0.9131 0.8096 0.9176 0.1315  0.0526  -0.0178 9  HIS B N   
688  C CA  . HIS B 9  ? 0.8863 0.7997 0.9152 0.1243  0.0411  -0.0250 9  HIS B CA  
689  C C   . HIS B 9  ? 0.8208 0.7435 0.8738 0.1052  0.0530  -0.0197 9  HIS B C   
690  O O   . HIS B 9  ? 0.8539 0.7827 0.9231 0.1015  0.0702  -0.0149 9  HIS B O   
691  C CB  . HIS B 9  ? 0.9162 0.8627 0.9860 0.1373  0.0308  -0.0404 9  HIS B CB  
692  C CG  . HIS B 9  ? 0.9642 0.9031 1.0122 0.1596  0.0235  -0.0451 9  HIS B CG  
693  N ND1 . HIS B 9  ? 0.9988 0.9172 1.0098 0.1733  0.0056  -0.0495 9  HIS B ND1 
694  C CD2 . HIS B 9  ? 1.0212 0.9659 1.0736 0.1719  0.0326  -0.0453 9  HIS B CD2 
695  C CE1 . HIS B 9  ? 1.0405 0.9522 1.0336 0.1937  0.0029  -0.0527 9  HIS B CE1 
696  N NE2 . HIS B 9  ? 1.0495 0.9787 1.0687 0.1933  0.0190  -0.0504 9  HIS B NE2 
697  N N   . PRO B 10 ? 0.7468 0.6650 0.7949 0.0938  0.0455  -0.0189 10 PRO B N   
698  C CA  . PRO B 10 ? 0.7238 0.6209 0.7347 0.0968  0.0302  -0.0195 10 PRO B CA  
699  C C   . PRO B 10 ? 0.7349 0.5978 0.6947 0.0999  0.0332  -0.0110 10 PRO B C   
700  O O   . PRO B 10 ? 0.7379 0.5920 0.6886 0.0957  0.0459  -0.0033 10 PRO B O   
701  C CB  . PRO B 10 ? 0.7077 0.6048 0.7224 0.0810  0.0291  -0.0167 10 PRO B CB  
702  C CG  . PRO B 10 ? 0.7049 0.6310 0.7701 0.0740  0.0370  -0.0206 10 PRO B CG  
703  C CD  . PRO B 10 ? 0.7212 0.6528 0.7985 0.0784  0.0524  -0.0177 10 PRO B CD  
704  N N   . ALA B 11 ? 0.6987 0.5402 0.6237 0.1086  0.0217  -0.0133 11 ALA B N   
705  C CA  . ALA B 11 ? 0.6985 0.5032 0.5726 0.1081  0.0237  -0.0063 11 ALA B CA  
706  C C   . ALA B 11 ? 0.6832 0.4778 0.5459 0.0890  0.0291  0.0007  11 ALA B C   
707  O O   . ALA B 11 ? 0.6279 0.4361 0.5093 0.0792  0.0264  -0.0004 11 ALA B O   
708  C CB  . ALA B 11 ? 0.7082 0.4903 0.5485 0.1197  0.0118  -0.0106 11 ALA B CB  
709  N N   . LEU B 12 ? 0.6467 0.4170 0.4779 0.0849  0.0357  0.0070  12 LEU B N   
710  C CA  . LEU B 12 ? 0.6468 0.4051 0.4620 0.0687  0.0384  0.0113  12 LEU B CA  
711  C C   . LEU B 12 ? 0.6657 0.4019 0.4513 0.0652  0.0319  0.0096  12 LEU B C   
712  O O   . LEU B 12 ? 0.6551 0.3635 0.4063 0.0725  0.0306  0.0094  12 LEU B O   
713  C CB  . LEU B 12 ? 0.6666 0.4069 0.4592 0.0673  0.0461  0.0161  12 LEU B CB  
714  C CG  . LEU B 12 ? 0.6973 0.4535 0.5116 0.0649  0.0551  0.0198  12 LEU B CG  
715  C CD1 . LEU B 12 ? 0.6693 0.4532 0.5234 0.0724  0.0592  0.0181  12 LEU B CD1 
716  C CD2 . LEU B 12 ? 0.7139 0.4484 0.5005 0.0693  0.0611  0.0235  12 LEU B CD2 
717  N N   . ARG B 13 ? 0.6173 0.3636 0.4143 0.0547  0.0291  0.0087  13 ARG B N   
718  C CA  . ARG B 13 ? 0.6476 0.3711 0.4153 0.0498  0.0265  0.0080  13 ARG B CA  
719  C C   . ARG B 13 ? 0.6228 0.3413 0.3828 0.0315  0.0321  0.0103  13 ARG B C   
720  O O   . ARG B 13 ? 0.5968 0.3381 0.3819 0.0229  0.0330  0.0107  13 ARG B O   
721  C CB  . ARG B 13 ? 0.6639 0.3986 0.4446 0.0556  0.0183  0.0036  13 ARG B CB  
722  C CG  . ARG B 13 ? 0.7287 0.4704 0.5184 0.0750  0.0104  -0.0015 13 ARG B CG  
723  C CD  . ARG B 13 ? 0.7656 0.5254 0.5771 0.0800  0.0005  -0.0077 13 ARG B CD  
724  N NE  . ARG B 13 ? 0.8614 0.6412 0.6982 0.0962  -0.0075 -0.0152 13 ARG B NE  
725  C CZ  . ARG B 13 ? 0.8943 0.7063 0.7752 0.0954  -0.0052 -0.0178 13 ARG B CZ  
726  N NH1 . ARG B 13 ? 0.7982 0.6230 0.6993 0.0805  0.0052  -0.0122 13 ARG B NH1 
727  N NH2 . ARG B 13 ? 0.9010 0.7313 0.8049 0.1107  -0.0131 -0.0269 13 ARG B NH2 
728  N N   . LEU B 14 ? 0.6416 0.3300 0.3668 0.0259  0.0360  0.0110  14 LEU B N   
729  C CA  . LEU B 14 ? 0.6444 0.3293 0.3643 0.0079  0.0404  0.0105  14 LEU B CA  
730  C C   . LEU B 14 ? 0.6602 0.3443 0.3786 0.0030  0.0399  0.0090  14 LEU B C   
731  O O   . LEU B 14 ? 0.6748 0.3353 0.3683 0.0106  0.0395  0.0089  14 LEU B O   
732  C CB  . LEU B 14 ? 0.7128 0.3647 0.3981 0.0023  0.0456  0.0102  14 LEU B CB  
733  C CG  . LEU B 14 ? 0.7359 0.3825 0.4157 -0.0178 0.0507  0.0071  14 LEU B CG  
734  C CD1 . LEU B 14 ? 0.7058 0.3839 0.4155 -0.0258 0.0486  0.0050  14 LEU B CD1 
735  C CD2 . LEU B 14 ? 0.7831 0.3924 0.4271 -0.0238 0.0561  0.0056  14 LEU B CD2 
736  N N   . VAL B 15 ? 0.6093 0.3175 0.3514 -0.0078 0.0402  0.0079  15 VAL B N   
737  C CA  . VAL B 15 ? 0.6080 0.3171 0.3494 -0.0141 0.0415  0.0067  15 VAL B CA  
738  C C   . VAL B 15 ? 0.6557 0.3430 0.3741 -0.0293 0.0506  0.0051  15 VAL B C   
739  O O   . VAL B 15 ? 0.6167 0.3076 0.3386 -0.0402 0.0534  0.0029  15 VAL B O   
740  C CB  . VAL B 15 ? 0.5793 0.3230 0.3549 -0.0187 0.0385  0.0057  15 VAL B CB  
741  C CG1 . VAL B 15 ? 0.5742 0.3202 0.3490 -0.0270 0.0414  0.0041  15 VAL B CG1 
742  C CG2 . VAL B 15 ? 0.5570 0.3198 0.3564 -0.0060 0.0313  0.0065  15 VAL B CG2 
743  N N   . ASP B 16 ? 0.7132 0.3770 0.4078 -0.0296 0.0555  0.0055  16 ASP B N   
744  C CA  . ASP B 16 ? 0.7952 0.4423 0.4744 -0.0468 0.0672  0.0034  16 ASP B CA  
745  C C   . ASP B 16 ? 0.7401 0.4171 0.4486 -0.0634 0.0686  -0.0011 16 ASP B C   
746  O O   . ASP B 16 ? 0.7389 0.4474 0.4753 -0.0649 0.0650  -0.0023 16 ASP B O   
747  C CB  . ASP B 16 ? 0.8597 0.4973 0.5279 -0.0455 0.0719  0.0044  16 ASP B CB  
748  C CG  . ASP B 16 ? 0.9527 0.5604 0.5949 -0.0613 0.0882  0.0032  16 ASP B CG  
749  O OD1 . ASP B 16 ? 1.0418 0.6235 0.6575 -0.0567 0.0952  0.0056  16 ASP B OD1 
750  O OD2 . ASP B 16 ? 0.9454 0.5539 0.5927 -0.0778 0.0941  -0.0004 16 ASP B OD2 
751  N N   . PRO B 17 ? 0.7482 0.4154 0.4500 -0.0762 0.0734  -0.0049 17 PRO B N   
752  C CA  . PRO B 17 ? 0.7031 0.4001 0.4326 -0.0897 0.0723  -0.0117 17 PRO B CA  
753  C C   . PRO B 17 ? 0.6694 0.3825 0.4143 -0.1041 0.0796  -0.0165 17 PRO B C   
754  O O   . PRO B 17 ? 0.6424 0.3824 0.4115 -0.1146 0.0780  -0.0239 17 PRO B O   
755  C CB  . PRO B 17 ? 0.7528 0.4259 0.4637 -0.0992 0.0759  -0.0158 17 PRO B CB  
756  C CG  . PRO B 17 ? 0.7688 0.4099 0.4494 -0.0837 0.0744  -0.0090 17 PRO B CG  
757  C CD  . PRO B 17 ? 0.7830 0.4096 0.4492 -0.0769 0.0789  -0.0042 17 PRO B CD  
758  N N   . GLN B 18 ? 0.6747 0.3715 0.4047 -0.1029 0.0875  -0.0129 18 GLN B N   
759  C CA  . GLN B 18 ? 0.6659 0.3830 0.4136 -0.1116 0.0936  -0.0159 18 GLN B CA  
760  C C   . GLN B 18 ? 0.6053 0.3607 0.3828 -0.1009 0.0820  -0.0150 18 GLN B C   
761  O O   . GLN B 18 ? 0.5884 0.3680 0.3856 -0.1068 0.0846  -0.0186 18 GLN B O   
762  C CB  . GLN B 18 ? 0.7410 0.4240 0.4584 -0.1117 0.1067  -0.0118 18 GLN B CB  
763  C CG  . GLN B 18 ? 0.8578 0.5034 0.5481 -0.1274 0.1224  -0.0143 18 GLN B CG  
764  C CD  . GLN B 18 ? 0.8738 0.5047 0.5547 -0.1416 0.1421  -0.0159 18 GLN B CD  
765  O OE1 . GLN B 18 ? 0.8934 0.5289 0.5737 -0.1346 0.1450  -0.0125 18 GLN B OE1 
766  N NE2 . GLN B 18 ? 0.8765 0.4884 0.5498 -0.1623 0.1570  -0.0216 18 GLN B NE2 
767  N N   . ILE B 19 ? 0.5466 0.3057 0.3264 -0.0852 0.0704  -0.0103 19 ILE B N   
768  C CA  . ILE B 19 ? 0.4869 0.2776 0.2931 -0.0758 0.0603  -0.0095 19 ILE B CA  
769  C C   . ILE B 19 ? 0.4732 0.2755 0.2904 -0.0720 0.0528  -0.0101 19 ILE B C   
770  O O   . ILE B 19 ? 0.4980 0.2824 0.3014 -0.0650 0.0509  -0.0068 19 ILE B O   
771  C CB  . ILE B 19 ? 0.5070 0.2904 0.3073 -0.0605 0.0553  -0.0039 19 ILE B CB  
772  C CG1 . ILE B 19 ? 0.5026 0.2697 0.2857 -0.0621 0.0631  -0.0032 19 ILE B CG1 
773  C CG2 . ILE B 19 ? 0.4633 0.2760 0.2908 -0.0521 0.0459  -0.0033 19 ILE B CG2 
774  C CD1 . ILE B 19 ? 0.5750 0.3211 0.3389 -0.0459 0.0581  0.0006  19 ILE B CD1 
775  N N   . GLN B 20 ? 0.4430 0.2731 0.2819 -0.0757 0.0491  -0.0150 20 GLN B N   
776  C CA  . GLN B 20 ? 0.4452 0.2841 0.2906 -0.0706 0.0426  -0.0161 20 GLN B CA  
777  C C   . GLN B 20 ? 0.4214 0.2876 0.2878 -0.0631 0.0365  -0.0162 20 GLN B C   
778  O O   . GLN B 20 ? 0.4193 0.2990 0.2962 -0.0638 0.0370  -0.0168 20 GLN B O   
779  C CB  . GLN B 20 ? 0.4751 0.3138 0.3181 -0.0826 0.0438  -0.0245 20 GLN B CB  
780  C CG  . GLN B 20 ? 0.5079 0.3144 0.3268 -0.0911 0.0513  -0.0244 20 GLN B CG  
781  C CD  . GLN B 20 ? 0.5338 0.3358 0.3485 -0.1005 0.0502  -0.0326 20 GLN B CD  
782  O OE1 . GLN B 20 ? 0.5200 0.3391 0.3455 -0.0967 0.0420  -0.0374 20 GLN B OE1 
783  N NE2 . GLN B 20 ? 0.5879 0.3628 0.3835 -0.1120 0.0584  -0.0347 20 GLN B NE2 
784  N N   . LEU B 21 ? 0.3932 0.2630 0.2619 -0.0544 0.0318  -0.0148 21 LEU B N   
785  C CA  . LEU B 21 ? 0.4131 0.3023 0.2959 -0.0460 0.0272  -0.0145 21 LEU B CA  
786  C C   . LEU B 21 ? 0.4002 0.3066 0.2883 -0.0482 0.0225  -0.0236 21 LEU B C   
787  O O   . LEU B 21 ? 0.4248 0.3245 0.3040 -0.0489 0.0203  -0.0274 21 LEU B O   
788  C CB  . LEU B 21 ? 0.3863 0.2656 0.2661 -0.0340 0.0271  -0.0073 21 LEU B CB  
789  C CG  . LEU B 21 ? 0.3902 0.2815 0.2817 -0.0252 0.0255  -0.0048 21 LEU B CG  
790  C CD1 . LEU B 21 ? 0.3746 0.2708 0.2765 -0.0261 0.0258  -0.0027 21 LEU B CD1 
791  C CD2 . LEU B 21 ? 0.3901 0.2700 0.2777 -0.0152 0.0286  0.0011  21 LEU B CD2 
792  N N   . ALA B 22 ? 0.3951 0.3239 0.2973 -0.0486 0.0201  -0.0281 22 ALA B N   
793  C CA  . ALA B 22 ? 0.4307 0.3808 0.3407 -0.0472 0.0135  -0.0384 22 ALA B CA  
794  C C   . ALA B 22 ? 0.4470 0.3983 0.3524 -0.0304 0.0080  -0.0354 22 ALA B C   
795  O O   . ALA B 22 ? 0.4057 0.3573 0.3140 -0.0229 0.0094  -0.0289 22 ALA B O   
796  C CB  . ALA B 22 ? 0.4150 0.3899 0.3421 -0.0546 0.0140  -0.0462 22 ALA B CB  
797  N N   . VAL B 23 ? 0.4849 0.4342 0.3810 -0.0241 0.0021  -0.0406 23 VAL B N   
798  C CA  . VAL B 23 ? 0.5612 0.5042 0.4457 -0.0063 -0.0010 -0.0370 23 VAL B CA  
799  C C   . VAL B 23 ? 0.6170 0.5775 0.5003 0.0021  -0.0121 -0.0496 23 VAL B C   
800  O O   . VAL B 23 ? 0.6310 0.5965 0.5139 -0.0026 -0.0181 -0.0598 23 VAL B O   
801  C CB  . VAL B 23 ? 0.5692 0.4845 0.4355 -0.0004 0.0038  -0.0284 23 VAL B CB  
802  C CG1 . VAL B 23 ? 0.6240 0.5270 0.4764 0.0171  0.0054  -0.0222 23 VAL B CG1 
803  C CG2 . VAL B 23 ? 0.5277 0.4299 0.3976 -0.0086 0.0126  -0.0193 23 VAL B CG2 
804  N N   . THR B 24 ? 0.6421 0.6120 0.5252 0.0151  -0.0156 -0.0499 24 THR B N   
805  C CA  . THR B 24 ? 0.7427 0.7239 0.6177 0.0309  -0.0270 -0.0601 24 THR B CA  
806  C C   . THR B 24 ? 0.7698 0.7284 0.6214 0.0508  -0.0241 -0.0504 24 THR B C   
807  O O   . THR B 24 ? 0.8595 0.7935 0.6886 0.0600  -0.0223 -0.0460 24 THR B O   
808  C CB  . THR B 24 ? 0.7612 0.7770 0.6569 0.0297  -0.0339 -0.0718 24 THR B CB  
809  O OG1 . THR B 24 ? 0.8211 0.8549 0.7405 0.0084  -0.0308 -0.0779 24 THR B OG1 
810  C CG2 . THR B 24 ? 0.7713 0.8035 0.6613 0.0460  -0.0487 -0.0865 24 THR B CG2 
811  N N   . PRO B 39 ? 0.8063 0.8642 0.7514 -0.0254 -0.0400 -0.1101 39 PRO B N   
812  C CA  . PRO B 39 ? 0.7573 0.8025 0.7076 -0.0445 -0.0249 -0.1003 39 PRO B CA  
813  C C   . PRO B 39 ? 0.7234 0.7403 0.6585 -0.0542 -0.0212 -0.0976 39 PRO B C   
814  O O   . PRO B 39 ? 0.7239 0.7424 0.6688 -0.0730 -0.0167 -0.1052 39 PRO B O   
815  C CB  . PRO B 39 ? 0.7649 0.8420 0.7456 -0.0610 -0.0215 -0.1130 39 PRO B CB  
816  C CG  . PRO B 39 ? 0.7969 0.9070 0.7904 -0.0456 -0.0334 -0.1239 39 PRO B CG  
817  C CD  . PRO B 39 ? 0.8152 0.9141 0.7870 -0.0259 -0.0473 -0.1265 39 PRO B CD  
818  N N   . LYS B 40 ? 0.6529 0.6424 0.5629 -0.0408 -0.0221 -0.0869 40 LYS B N   
819  C CA  . LYS B 40 ? 0.6044 0.5637 0.4973 -0.0478 -0.0162 -0.0806 40 LYS B CA  
820  C C   . LYS B 40 ? 0.5683 0.5120 0.4594 -0.0543 -0.0032 -0.0662 40 LYS B C   
821  O O   . LYS B 40 ? 0.5284 0.4718 0.4197 -0.0448 -0.0006 -0.0563 40 LYS B O   
822  C CB  . LYS B 40 ? 0.6252 0.5626 0.4925 -0.0297 -0.0212 -0.0754 40 LYS B CB  
823  N N   . VAL B 41 ? 0.5577 0.4864 0.4453 -0.0698 0.0041  -0.0660 41 VAL B N   
824  C CA  . VAL B 41 ? 0.5472 0.4580 0.4288 -0.0749 0.0150  -0.0544 41 VAL B CA  
825  C C   . VAL B 41 ? 0.5491 0.4274 0.4071 -0.0714 0.0178  -0.0467 41 VAL B C   
826  O O   . VAL B 41 ? 0.5446 0.4110 0.3920 -0.0764 0.0157  -0.0529 41 VAL B O   
827  C CB  . VAL B 41 ? 0.5695 0.4856 0.4616 -0.0939 0.0231  -0.0605 41 VAL B CB  
828  C CG1 . VAL B 41 ? 0.6078 0.5048 0.4902 -0.0956 0.0331  -0.0491 41 VAL B CG1 
829  C CG2 . VAL B 41 ? 0.5836 0.5359 0.5015 -0.0969 0.0200  -0.0705 41 VAL B CG2 
830  N N   . TYR B 42 ? 0.5070 0.3718 0.3580 -0.0631 0.0225  -0.0343 42 TYR B N   
831  C CA  . TYR B 42 ? 0.4940 0.3329 0.3258 -0.0553 0.0247  -0.0266 42 TYR B CA  
832  C C   . TYR B 42 ? 0.4831 0.3051 0.3078 -0.0573 0.0317  -0.0191 42 TYR B C   
833  O O   . TYR B 42 ? 0.4721 0.3031 0.3077 -0.0543 0.0331  -0.0146 42 TYR B O   
834  C CB  . TYR B 42 ? 0.4805 0.3221 0.3132 -0.0386 0.0229  -0.0196 42 TYR B CB  
835  C CG  . TYR B 42 ? 0.5208 0.3714 0.3515 -0.0314 0.0157  -0.0258 42 TYR B CG  
836  C CD1 . TYR B 42 ? 0.5078 0.3818 0.3524 -0.0283 0.0106  -0.0306 42 TYR B CD1 
837  C CD2 . TYR B 42 ? 0.5301 0.3639 0.3418 -0.0260 0.0132  -0.0277 42 TYR B CD2 
838  C CE1 . TYR B 42 ? 0.5399 0.4205 0.3788 -0.0189 0.0024  -0.0377 42 TYR B CE1 
839  C CE2 . TYR B 42 ? 0.5787 0.4180 0.3842 -0.0168 0.0051  -0.0345 42 TYR B CE2 
840  C CZ  . TYR B 42 ? 0.5721 0.4348 0.3909 -0.0127 -0.0006 -0.0397 42 TYR B CZ  
841  O OH  . TYR B 42 ? 0.6112 0.4770 0.4198 -0.0006 -0.0100 -0.0474 42 TYR B OH  
842  N N   . PRO B 43 ? 0.4946 0.2897 0.2981 -0.0596 0.0352  -0.0178 43 PRO B N   
843  C CA  . PRO B 43 ? 0.5096 0.2852 0.3010 -0.0558 0.0400  -0.0107 43 PRO B CA  
844  C C   . PRO B 43 ? 0.4914 0.2750 0.2931 -0.0406 0.0383  -0.0032 43 PRO B C   
845  O O   . PRO B 43 ? 0.4703 0.2606 0.2768 -0.0326 0.0364  -0.0017 43 PRO B O   
846  C CB  . PRO B 43 ? 0.5437 0.2889 0.3082 -0.0564 0.0423  -0.0110 43 PRO B CB  
847  C CG  . PRO B 43 ? 0.5494 0.2983 0.3143 -0.0689 0.0401  -0.0209 43 PRO B CG  
848  C CD  . PRO B 43 ? 0.5273 0.3078 0.3154 -0.0641 0.0334  -0.0238 43 PRO B CD  
849  N N   . ILE B 44 ? 0.4707 0.2519 0.2747 -0.0366 0.0395  0.0006  44 ILE B N   
850  C CA  . ILE B 44 ? 0.4597 0.2514 0.2790 -0.0246 0.0379  0.0054  44 ILE B CA  
851  C C   . ILE B 44 ? 0.4727 0.2461 0.2792 -0.0147 0.0389  0.0086  44 ILE B C   
852  O O   . ILE B 44 ? 0.5003 0.2554 0.2889 -0.0148 0.0393  0.0082  44 ILE B O   
853  C CB  . ILE B 44 ? 0.4447 0.2506 0.2796 -0.0252 0.0358  0.0052  44 ILE B CB  
854  C CG1 . ILE B 44 ? 0.4326 0.2574 0.2796 -0.0337 0.0349  0.0016  44 ILE B CG1 
855  C CG2 . ILE B 44 ? 0.4235 0.2394 0.2765 -0.0142 0.0339  0.0084  44 ILE B CG2 
856  C CD1 . ILE B 44 ? 0.4141 0.2478 0.2694 -0.0357 0.0340  0.0008  44 ILE B CD1 
857  N N   . ILE B 45 ? 0.4543 0.2330 0.2702 -0.0047 0.0399  0.0117  45 ILE B N   
858  C CA  . ILE B 45 ? 0.4897 0.2616 0.3047 0.0071  0.0403  0.0138  45 ILE B CA  
859  C C   . ILE B 45 ? 0.4810 0.2753 0.3268 0.0121  0.0389  0.0140  45 ILE B C   
860  O O   . ILE B 45 ? 0.4569 0.2661 0.3209 0.0108  0.0417  0.0155  45 ILE B O   
861  C CB  . ILE B 45 ? 0.5219 0.2848 0.3280 0.0142  0.0448  0.0164  45 ILE B CB  
862  C CG1 . ILE B 45 ? 0.5513 0.2919 0.3279 0.0086  0.0454  0.0150  45 ILE B CG1 
863  C CG2 . ILE B 45 ? 0.5594 0.3195 0.3684 0.0277  0.0457  0.0176  45 ILE B CG2 
864  C CD1 . ILE B 45 ? 0.6021 0.3180 0.3526 0.0072  0.0445  0.0135  45 ILE B CD1 
865  N N   . LEU B 46 ? 0.4762 0.2703 0.3253 0.0183  0.0343  0.0118  46 LEU B N   
866  C CA  . LEU B 46 ? 0.4957 0.3099 0.3745 0.0236  0.0310  0.0095  46 LEU B CA  
867  C C   . LEU B 46 ? 0.5337 0.3518 0.4238 0.0357  0.0320  0.0083  46 LEU B C   
868  O O   . LEU B 46 ? 0.5509 0.3530 0.4201 0.0438  0.0302  0.0075  46 LEU B O   
869  C CB  . LEU B 46 ? 0.5113 0.3220 0.3842 0.0253  0.0229  0.0056  46 LEU B CB  
870  C CG  . LEU B 46 ? 0.5254 0.3395 0.3971 0.0151  0.0218  0.0055  46 LEU B CG  
871  C CD1 . LEU B 46 ? 0.5397 0.3497 0.4063 0.0204  0.0141  0.0016  46 LEU B CD1 
872  C CD2 . LEU B 46 ? 0.5014 0.3369 0.3999 0.0097  0.0239  0.0064  46 LEU B CD2 
873  N N   . ARG B 47 ? 0.5328 0.3720 0.4565 0.0370  0.0355  0.0075  47 ARG B N   
874  C CA  . ARG B 47 ? 0.5524 0.4048 0.4998 0.0471  0.0363  0.0036  47 ARG B CA  
875  C C   . ARG B 47 ? 0.5720 0.4471 0.5550 0.0462  0.0307  -0.0029 47 ARG B C   
876  O O   . ARG B 47 ? 0.5314 0.4189 0.5379 0.0388  0.0372  -0.0016 47 ARG B O   
877  C CB  . ARG B 47 ? 0.5957 0.4524 0.5550 0.0471  0.0500  0.0083  47 ARG B CB  
878  C CG  . ARG B 47 ? 0.6535 0.4880 0.5788 0.0469  0.0557  0.0147  47 ARG B CG  
879  C CD  . ARG B 47 ? 0.7206 0.5592 0.6585 0.0526  0.0688  0.0179  47 ARG B CD  
880  N NE  . ARG B 47 ? 0.7873 0.6362 0.7413 0.0637  0.0679  0.0130  47 ARG B NE  
881  C CZ  . ARG B 47 ? 0.8188 0.6788 0.7949 0.0697  0.0796  0.0132  47 ARG B CZ  
882  N NH1 . ARG B 47 ? 0.8139 0.6721 0.7952 0.0656  0.0943  0.0193  47 ARG B NH1 
883  N NH2 . ARG B 47 ? 0.8239 0.6965 0.8162 0.0809  0.0770  0.0069  47 ARG B NH2 
884  N N   . LEU B 48 ? 0.5686 0.4466 0.5532 0.0552  0.0186  -0.0105 48 LEU B N   
885  C CA  . LEU B 48 ? 0.5810 0.4753 0.5906 0.0550  0.0090  -0.0183 48 LEU B CA  
886  C C   . LEU B 48 ? 0.5907 0.5103 0.6415 0.0625  0.0069  -0.0279 48 LEU B C   
887  O O   . LEU B 48 ? 0.6269 0.5489 0.6763 0.0765  -0.0024 -0.0353 48 LEU B O   
888  C CB  . LEU B 48 ? 0.5832 0.4614 0.5636 0.0616  -0.0040 -0.0216 48 LEU B CB  
889  C CG  . LEU B 48 ? 0.6212 0.4769 0.5654 0.0526  -0.0009 -0.0139 48 LEU B CG  
890  C CD1 . LEU B 48 ? 0.6289 0.4632 0.5398 0.0607  -0.0102 -0.0166 48 LEU B CD1 
891  C CD2 . LEU B 48 ? 0.5752 0.4414 0.5343 0.0397  0.0025  -0.0113 48 LEU B CD2 
892  N N   . GLY B 49 ? 0.5780 0.5158 0.6651 0.0533  0.0161  -0.0284 49 GLY B N   
893  C CA  . GLY B 49 ? 0.5701 0.5357 0.7048 0.0560  0.0144  -0.0398 49 GLY B CA  
894  C C   . GLY B 49 ? 0.5667 0.5424 0.7151 0.0587  -0.0032 -0.0513 49 GLY B C   
895  O O   . GLY B 49 ? 0.5800 0.5774 0.7604 0.0665  -0.0127 -0.0648 49 GLY B O   
896  N N   . SER B 50 ? 0.5270 0.4875 0.6515 0.0528  -0.0080 -0.0467 50 SER B N   
897  C CA  . SER B 50 ? 0.5077 0.4714 0.6356 0.0564  -0.0246 -0.0559 50 SER B CA  
898  C C   . SER B 50 ? 0.4890 0.4258 0.5678 0.0584  -0.0298 -0.0487 50 SER B C   
899  O O   . SER B 50 ? 0.4682 0.3893 0.5213 0.0514  -0.0188 -0.0371 50 SER B O   
900  C CB  . SER B 50 ? 0.5113 0.4880 0.6716 0.0437  -0.0213 -0.0588 50 SER B CB  
901  O OG  . SER B 50 ? 0.5048 0.5010 0.7064 0.0378  -0.0090 -0.0619 50 SER B OG  
902  N N   . PRO B 51 ? 0.4906 0.4210 0.5557 0.0681  -0.0459 -0.0561 51 PRO B N   
903  C CA  . PRO B 51 ? 0.5245 0.4273 0.5421 0.0707  -0.0484 -0.0497 51 PRO B CA  
904  C C   . PRO B 51 ? 0.5089 0.4074 0.5210 0.0557  -0.0398 -0.0412 51 PRO B C   
905  O O   . PRO B 51 ? 0.4841 0.3979 0.5249 0.0474  -0.0380 -0.0430 51 PRO B O   
906  C CB  . PRO B 51 ? 0.5325 0.4310 0.5417 0.0860  -0.0672 -0.0609 51 PRO B CB  
907  C CG  . PRO B 51 ? 0.5271 0.4558 0.5875 0.0850  -0.0751 -0.0735 51 PRO B CG  
908  C CD  . PRO B 51 ? 0.5003 0.4485 0.5940 0.0776  -0.0623 -0.0719 51 PRO B CD  
909  N N   . LEU B 52 ? 0.5016 0.3788 0.4762 0.0526  -0.0340 -0.0325 52 LEU B N   
910  C CA  . LEU B 52 ? 0.5117 0.3849 0.4766 0.0406  -0.0266 -0.0254 52 LEU B CA  
911  C C   . LEU B 52 ? 0.5257 0.3777 0.4549 0.0459  -0.0314 -0.0252 52 LEU B C   
912  O O   . LEU B 52 ? 0.5410 0.3742 0.4432 0.0555  -0.0341 -0.0260 52 LEU B O   
913  C CB  . LEU B 52 ? 0.5550 0.4230 0.5095 0.0321  -0.0135 -0.0167 52 LEU B CB  
914  C CG  . LEU B 52 ? 0.5927 0.4636 0.5458 0.0198  -0.0048 -0.0104 52 LEU B CG  
915  C CD1 . LEU B 52 ? 0.5868 0.4594 0.5428 0.0147  0.0055  -0.0050 52 LEU B CD1 
916  C CD2 . LEU B 52 ? 0.6185 0.4737 0.5403 0.0166  -0.0034 -0.0077 52 LEU B CD2 
917  N N   . SER B 53 ? 0.4632 0.3158 0.3898 0.0411  -0.0316 -0.0242 53 SER B N   
918  C CA  . SER B 53 ? 0.4653 0.2963 0.3559 0.0433  -0.0305 -0.0218 53 SER B CA  
919  C C   . SER B 53 ? 0.4712 0.3057 0.3585 0.0294  -0.0193 -0.0152 53 SER B C   
920  O O   . SER B 53 ? 0.4411 0.2942 0.3529 0.0217  -0.0165 -0.0139 53 SER B O   
921  C CB  . SER B 53 ? 0.4881 0.3137 0.3730 0.0555  -0.0433 -0.0289 53 SER B CB  
922  O OG  . SER B 53 ? 0.4841 0.3236 0.3876 0.0500  -0.0449 -0.0300 53 SER B OG  
923  N N   . LEU B 54 ? 0.4640 0.2798 0.3203 0.0268  -0.0121 -0.0116 54 LEU B N   
924  C CA  . LEU B 54 ? 0.4615 0.2818 0.3143 0.0143  -0.0016 -0.0074 54 LEU B CA  
925  C C   . LEU B 54 ? 0.4721 0.2784 0.3022 0.0179  -0.0001 -0.0078 54 LEU B C   
926  O O   . LEU B 54 ? 0.4934 0.2734 0.2930 0.0253  0.0007  -0.0078 54 LEU B O   
927  C CB  . LEU B 54 ? 0.4818 0.2924 0.3206 0.0051  0.0090  -0.0037 54 LEU B CB  
928  C CG  . LEU B 54 ? 0.4782 0.2947 0.3145 -0.0082 0.0198  -0.0019 54 LEU B CG  
929  C CD1 . LEU B 54 ? 0.4530 0.2976 0.3179 -0.0132 0.0183  -0.0023 54 LEU B CD1 
930  C CD2 . LEU B 54 ? 0.4947 0.2985 0.3166 -0.0175 0.0291  -0.0003 54 LEU B CD2 
931  N N   . ASN B 55 ? 0.4310 0.2523 0.2730 0.0141  0.0006  -0.0079 55 ASN B N   
932  C CA  . ASN B 55 ? 0.4487 0.2584 0.2701 0.0171  0.0041  -0.0078 55 ASN B CA  
933  C C   . ASN B 55 ? 0.4392 0.2655 0.2695 0.0042  0.0154  -0.0057 55 ASN B C   
934  O O   . ASN B 55 ? 0.4321 0.2816 0.2873 -0.0013 0.0140  -0.0060 55 ASN B O   
935  C CB  . ASN B 55 ? 0.4757 0.2888 0.3037 0.0287  -0.0085 -0.0121 55 ASN B CB  
936  C CG  . ASN B 55 ? 0.5334 0.3286 0.3479 0.0444  -0.0211 -0.0169 55 ASN B CG  
937  O OD1 . ASN B 55 ? 0.6045 0.3751 0.3869 0.0545  -0.0212 -0.0173 55 ASN B OD1 
938  N ND2 . ASN B 55 ? 0.4901 0.2973 0.3288 0.0478  -0.0317 -0.0213 55 ASN B ND2 
939  N N   . MET B 56 ? 0.4360 0.2498 0.2452 0.0002  0.0270  -0.0043 56 MET B N   
940  C CA  . MET B 56 ? 0.4286 0.2610 0.2481 -0.0093 0.0366  -0.0047 56 MET B CA  
941  C C   . MET B 56 ? 0.4236 0.2606 0.2427 0.0002  0.0318  -0.0059 56 MET B C   
942  O O   . MET B 56 ? 0.4251 0.2399 0.2215 0.0117  0.0284  -0.0058 56 MET B O   
943  C CB  . MET B 56 ? 0.5125 0.3279 0.3106 -0.0186 0.0536  -0.0034 56 MET B CB  
944  C CG  . MET B 56 ? 0.5655 0.4020 0.3761 -0.0282 0.0648  -0.0056 56 MET B CG  
945  S SD  . MET B 56 ? 0.6301 0.5064 0.4784 -0.0388 0.0610  -0.0097 56 MET B SD  
946  C CE  . MET B 56 ? 0.5690 0.4306 0.4113 -0.0489 0.0644  -0.0092 56 MET B CE  
947  N N   . ALA B 57 ? 0.3956 0.2596 0.2372 -0.0027 0.0305  -0.0075 57 ALA B N   
948  C CA  . ALA B 57 ? 0.3963 0.2650 0.2373 0.0065  0.0260  -0.0087 57 ALA B CA  
949  C C   . ALA B 57 ? 0.4091 0.2953 0.2545 0.0003  0.0381  -0.0098 57 ALA B C   
950  O O   . ALA B 57 ? 0.3654 0.2733 0.2287 -0.0102 0.0435  -0.0117 57 ALA B O   
951  C CB  . ALA B 57 ? 0.3996 0.2820 0.2615 0.0111  0.0130  -0.0103 57 ALA B CB  
952  N N   . ARG B 58 ? 0.4452 0.3217 0.2736 0.0079  0.0421  -0.0096 58 ARG B N   
953  C CA  . ARG B 58 ? 0.5005 0.3942 0.3332 0.0047  0.0540  -0.0113 58 ARG B CA  
954  C C   . ARG B 58 ? 0.4933 0.3855 0.3188 0.0193  0.0466  -0.0117 58 ARG B C   
955  O O   . ARG B 58 ? 0.5093 0.3748 0.3108 0.0305  0.0418  -0.0103 58 ARG B O   
956  C CB  . ARG B 58 ? 0.5952 0.4701 0.4061 -0.0008 0.0726  -0.0096 58 ARG B CB  
957  C CG  . ARG B 58 ? 0.6917 0.5827 0.5184 -0.0193 0.0871  -0.0121 58 ARG B CG  
958  C CD  . ARG B 58 ? 0.8013 0.6676 0.6039 -0.0262 0.1084  -0.0101 58 ARG B CD  
959  N NE  . ARG B 58 ? 0.9088 0.7354 0.6810 -0.0211 0.1051  -0.0053 58 ARG B NE  
960  C CZ  . ARG B 58 ? 0.9577 0.7767 0.7314 -0.0298 0.1037  -0.0050 58 ARG B CZ  
961  N NH1 . ARG B 58 ? 0.9588 0.8055 0.7617 -0.0447 0.1057  -0.0091 58 ARG B NH1 
962  N NH2 . ARG B 58 ? 0.9887 0.7718 0.7330 -0.0220 0.0998  -0.0013 58 ARG B NH2 
963  N N   . LYS B 59 ? 0.4839 0.4031 0.3279 0.0208  0.0446  -0.0145 59 LYS B N   
964  C CA  . LYS B 59 ? 0.4996 0.4164 0.3335 0.0345  0.0406  -0.0152 59 LYS B CA  
965  C C   . LYS B 59 ? 0.5379 0.4458 0.3526 0.0357  0.0571  -0.0142 59 LYS B C   
966  O O   . LYS B 59 ? 0.5528 0.4788 0.3785 0.0250  0.0726  -0.0159 59 LYS B O   
967  C CB  . LYS B 59 ? 0.4973 0.4434 0.3523 0.0369  0.0357  -0.0185 59 LYS B CB  
968  C CG  . LYS B 59 ? 0.5152 0.4552 0.3601 0.0524  0.0266  -0.0191 59 LYS B CG  
969  C CD  . LYS B 59 ? 0.5112 0.4728 0.3730 0.0558  0.0196  -0.0217 59 LYS B CD  
970  C CE  . LYS B 59 ? 0.5440 0.5363 0.4169 0.0555  0.0299  -0.0257 59 LYS B CE  
971  N NZ  . LYS B 59 ? 0.5624 0.5701 0.4420 0.0658  0.0217  -0.0287 59 LYS B NZ  
972  N N   . THR B 60 ? 0.5728 0.4507 0.3579 0.0484  0.0546  -0.0120 60 THR B N   
973  C CA  . THR B 60 ? 0.6261 0.4883 0.3871 0.0500  0.0730  -0.0099 60 THR B CA  
974  C C   . THR B 60 ? 0.6570 0.5236 0.4095 0.0636  0.0738  -0.0109 60 THR B C   
975  O O   . THR B 60 ? 0.7070 0.5660 0.4425 0.0659  0.0915  -0.0094 60 THR B O   
976  C CB  . THR B 60 ? 0.6731 0.4917 0.3974 0.0574  0.0725  -0.0064 60 THR B CB  
977  O OG1 . THR B 60 ? 0.6697 0.4757 0.3879 0.0715  0.0495  -0.0083 60 THR B OG1 
978  C CG2 . THR B 60 ? 0.6351 0.4447 0.3596 0.0439  0.0798  -0.0046 60 THR B CG2 
979  N N   . LEU B 61 ? 0.6155 0.4902 0.3770 0.0730  0.0555  -0.0133 61 LEU B N   
980  C CA  . LEU B 61 ? 0.6506 0.5257 0.4016 0.0881  0.0522  -0.0146 61 LEU B CA  
981  C C   . LEU B 61 ? 0.6242 0.5224 0.3993 0.0896  0.0378  -0.0178 61 LEU B C   
982  O O   . LEU B 61 ? 0.5994 0.4927 0.3838 0.0873  0.0232  -0.0184 61 LEU B O   
983  C CB  . LEU B 61 ? 0.6627 0.4986 0.3788 0.1046  0.0411  -0.0138 61 LEU B CB  
984  N N   . ASN B 62 ? 0.6289 0.5500 0.4115 0.0949  0.0432  -0.0201 62 ASN B N   
985  C CA  . ASN B 62 ? 0.6406 0.5752 0.4343 0.1022  0.0304  -0.0229 62 ASN B CA  
986  C C   . ASN B 62 ? 0.7004 0.6376 0.4791 0.1176  0.0352  -0.0242 62 ASN B C   
987  O O   . ASN B 62 ? 0.6638 0.6269 0.4525 0.1160  0.0501  -0.0261 62 ASN B O   
988  C CB  . ASN B 62 ? 0.6061 0.5750 0.4307 0.0916  0.0324  -0.0256 62 ASN B CB  
989  C CG  . ASN B 62 ? 0.6128 0.5862 0.4433 0.0994  0.0181  -0.0274 62 ASN B CG  
990  O OD1 . ASN B 62 ? 0.6005 0.5881 0.4491 0.0924  0.0146  -0.0285 62 ASN B OD1 
991  N ND2 . ASN B 62 ? 0.6541 0.6109 0.4661 0.1145  0.0102  -0.0276 62 ASN B ND2 
992  N N   . SER B 63 ? 0.7597 0.6682 0.5140 0.1320  0.0230  -0.0238 63 SER B N   
993  C CA  . SER B 63 ? 0.7855 0.6890 0.5206 0.1498  0.0226  -0.0251 63 SER B CA  
994  C C   . SER B 63 ? 0.8087 0.7128 0.5485 0.1570  0.0065  -0.0277 63 SER B C   
995  O O   . SER B 63 ? 0.8222 0.7282 0.5786 0.1478  -0.0022 -0.0280 63 SER B O   
996  C CB  . SER B 63 ? 0.8221 0.6876 0.5217 0.1617  0.0200  -0.0234 63 SER B CB  
997  O OG  . SER B 63 ? 0.8259 0.6645 0.5163 0.1668  -0.0010 -0.0256 63 SER B OG  
998  N N   . LEU B 64 ? 0.8687 0.7688 0.5916 0.1739  0.0041  -0.0294 64 LEU B N   
999  C CA  . LEU B 64 ? 0.8794 0.7723 0.6001 0.1821  -0.0100 -0.0316 64 LEU B CA  
1000 C C   . LEU B 64 ? 0.9147 0.7735 0.6278 0.1792  -0.0262 -0.0322 64 LEU B C   
1001 O O   . LEU B 64 ? 0.9528 0.8059 0.6739 0.1767  -0.0358 -0.0335 64 LEU B O   
1002 C CB  . LEU B 64 ? 0.8844 0.7744 0.5829 0.2025  -0.0092 -0.0334 64 LEU B CB  
1003 C CG  . LEU B 64 ? 0.8501 0.7781 0.5594 0.2075  0.0064  -0.0349 64 LEU B CG  
1004 C CD1 . LEU B 64 ? 0.8701 0.7887 0.5520 0.2274  0.0112  -0.0354 64 LEU B CD1 
1005 C CD2 . LEU B 64 ? 0.8052 0.7609 0.5340 0.2085  0.0030  -0.0382 64 LEU B CD2 
1006 N N   . GLU B 65 ? 0.9128 0.7492 0.6114 0.1795  -0.0285 -0.0319 65 GLU B N   
1007 C CA  . GLU B 65 ? 0.9051 0.7096 0.5944 0.1810  -0.0456 -0.0353 65 GLU B CA  
1008 C C   . GLU B 65 ? 0.8591 0.6670 0.5735 0.1638  -0.0504 -0.0356 65 GLU B C   
1009 O O   . GLU B 65 ? 0.8753 0.6701 0.5984 0.1601  -0.0634 -0.0394 65 GLU B O   
1010 C CB  . GLU B 65 ? 0.9267 0.7046 0.5849 0.1933  -0.0478 -0.0364 65 GLU B CB  
1011 N N   . ASP B 66 ? 0.8153 0.6396 0.5412 0.1531  -0.0388 -0.0320 66 ASP B N   
1012 C CA  . ASP B 66 ? 0.7190 0.5393 0.4595 0.1409  -0.0437 -0.0324 66 ASP B CA  
1013 C C   . ASP B 66 ? 0.6526 0.4970 0.4094 0.1275  -0.0285 -0.0279 66 ASP B C   
1014 O O   . ASP B 66 ? 0.6222 0.4839 0.3774 0.1280  -0.0143 -0.0256 66 ASP B O   
1015 C CB  . ASP B 66 ? 0.7621 0.5536 0.4805 0.1493  -0.0530 -0.0356 66 ASP B CB  
1016 N N   . LYS B 67 ? 0.5942 0.4398 0.3683 0.1155  -0.0320 -0.0278 67 LYS B N   
1017 C CA  . LYS B 67 ? 0.5587 0.4206 0.3450 0.1028  -0.0196 -0.0243 67 LYS B CA  
1018 C C   . LYS B 67 ? 0.5448 0.3865 0.3218 0.1013  -0.0236 -0.0245 67 LYS B C   
1019 O O   . LYS B 67 ? 0.5612 0.3863 0.3369 0.1059  -0.0386 -0.0287 67 LYS B O   
1020 C CB  . LYS B 67 ? 0.5238 0.4064 0.3378 0.0915  -0.0198 -0.0237 67 LYS B CB  
1021 C CG  . LYS B 67 ? 0.5112 0.4133 0.3314 0.0955  -0.0165 -0.0242 67 LYS B CG  
1022 C CD  . LYS B 67 ? 0.4902 0.4125 0.3328 0.0851  -0.0138 -0.0233 67 LYS B CD  
1023 C CE  . LYS B 67 ? 0.5061 0.4425 0.3507 0.0928  -0.0140 -0.0248 67 LYS B CE  
1024 N NZ  . LYS B 67 ? 0.5200 0.4347 0.3510 0.1038  -0.0238 -0.0259 67 LYS B NZ  
1025 N N   . ALA B 68 ? 0.5310 0.3746 0.3022 0.0950  -0.0100 -0.0211 68 ALA B N   
1026 C CA  . ALA B 68 ? 0.5192 0.3438 0.2809 0.0933  -0.0127 -0.0209 68 ALA B CA  
1027 C C   . ALA B 68 ? 0.4935 0.3338 0.2716 0.0773  -0.0009 -0.0176 68 ALA B C   
1028 O O   . ALA B 68 ? 0.4760 0.3357 0.2622 0.0695  0.0133  -0.0156 68 ALA B O   
1029 C CB  . ALA B 68 ? 0.5711 0.3681 0.2955 0.1057  -0.0076 -0.0199 68 ALA B CB  
1030 N N   . PHE B 69 ? 0.4790 0.3114 0.2627 0.0731  -0.0079 -0.0182 69 PHE B N   
1031 C CA  . PHE B 69 ? 0.4775 0.3197 0.2740 0.0593  0.0006  -0.0156 69 PHE B CA  
1032 C C   . PHE B 69 ? 0.5144 0.3292 0.2866 0.0629  0.0014  -0.0147 69 PHE B C   
1033 O O   . PHE B 69 ? 0.5435 0.3418 0.3078 0.0734  -0.0132 -0.0183 69 PHE B O   
1034 C CB  . PHE B 69 ? 0.4424 0.2993 0.2675 0.0533  -0.0095 -0.0172 69 PHE B CB  
1035 C CG  . PHE B 69 ? 0.4133 0.2924 0.2569 0.0511  -0.0095 -0.0176 69 PHE B CG  
1036 C CD1 . PHE B 69 ? 0.4319 0.3072 0.2759 0.0602  -0.0197 -0.0204 69 PHE B CD1 
1037 C CD2 . PHE B 69 ? 0.4023 0.3039 0.2599 0.0415  0.0004  -0.0160 69 PHE B CD2 
1038 C CE1 . PHE B 69 ? 0.4228 0.3139 0.2778 0.0604  -0.0189 -0.0205 69 PHE B CE1 
1039 C CE2 . PHE B 69 ? 0.3872 0.3076 0.2576 0.0428  -0.0003 -0.0171 69 PHE B CE2 
1040 C CZ  . PHE B 69 ? 0.4058 0.3193 0.2729 0.0528  -0.0095 -0.0187 69 PHE B CZ  
1041 N N   . GLN B 70 ? 0.5205 0.3291 0.2797 0.0553  0.0184  -0.0109 70 GLN B N   
1042 C CA  . GLN B 70 ? 0.5763 0.3555 0.3094 0.0585  0.0207  -0.0094 70 GLN B CA  
1043 C C   . GLN B 70 ? 0.5464 0.3351 0.2993 0.0475  0.0182  -0.0092 70 GLN B C   
1044 O O   . GLN B 70 ? 0.4915 0.3010 0.2641 0.0327  0.0280  -0.0076 70 GLN B O   
1045 C CB  . GLN B 70 ? 0.6413 0.4039 0.3481 0.0542  0.0429  -0.0052 70 GLN B CB  
1046 C CG  . GLN B 70 ? 0.7198 0.4419 0.3883 0.0621  0.0456  -0.0032 70 GLN B CG  
1047 C CD  . GLN B 70 ? 0.7797 0.4889 0.4329 0.0490  0.0703  0.0012  70 GLN B CD  
1048 O OE1 . GLN B 70 ? 0.8500 0.5275 0.4657 0.0553  0.0847  0.0043  70 GLN B OE1 
1049 N NE2 . GLN B 70 ? 0.7859 0.5171 0.4665 0.0308  0.0760  0.0012  70 GLN B NE2 
1050 N N   . LEU B 71 ? 0.5494 0.3239 0.2974 0.0563  0.0041  -0.0119 71 LEU B N   
1051 C CA  . LEU B 71 ? 0.5557 0.3362 0.3192 0.0489  0.0013  -0.0118 71 LEU B CA  
1052 C C   . LEU B 71 ? 0.5915 0.3403 0.3217 0.0534  0.0071  -0.0099 71 LEU B C   
1053 O O   . LEU B 71 ? 0.6301 0.3512 0.3295 0.0694  0.0012  -0.0117 71 LEU B O   
1054 C CB  . LEU B 71 ? 0.5639 0.3582 0.3543 0.0534  -0.0168 -0.0170 71 LEU B CB  
1055 C CG  . LEU B 71 ? 0.5876 0.4124 0.4134 0.0410  -0.0151 -0.0160 71 LEU B CG  
1056 C CD1 . LEU B 71 ? 0.6027 0.4384 0.4320 0.0418  -0.0133 -0.0161 71 LEU B CD1 
1057 C CD2 . LEU B 71 ? 0.5721 0.4080 0.4252 0.0415  -0.0272 -0.0199 71 LEU B CD2 
1058 N N   . THR B 72 ? 0.5712 0.3218 0.3041 0.0399  0.0192  -0.0064 72 THR B N   
1059 C CA  . THR B 72 ? 0.6628 0.3797 0.3613 0.0427  0.0269  -0.0040 72 THR B CA  
1060 C C   . THR B 72 ? 0.6441 0.3663 0.3563 0.0389  0.0211  -0.0046 72 THR B C   
1061 O O   . THR B 72 ? 0.5637 0.3095 0.3030 0.0244  0.0253  -0.0036 72 THR B O   
1062 C CB  . THR B 72 ? 0.7083 0.4094 0.3842 0.0323  0.0502  0.0005  72 THR B CB  
1063 O OG1 . THR B 72 ? 0.7525 0.4842 0.4597 0.0123  0.0603  0.0008  72 THR B OG1 
1064 C CG2 . THR B 72 ? 0.7564 0.4473 0.4133 0.0406  0.0557  0.0011  72 THR B CG2 
1065 N N   . PRO B 73 ? 0.7140 0.4151 0.4078 0.0543  0.0097  -0.0072 73 PRO B N   
1066 C CA  . PRO B 73 ? 0.7154 0.4211 0.4211 0.0536  0.0038  -0.0083 73 PRO B CA  
1067 C C   . PRO B 73 ? 0.7227 0.4156 0.4144 0.0391  0.0216  -0.0029 73 PRO B C   
1068 O O   . PRO B 73 ? 0.7275 0.3929 0.3864 0.0369  0.0359  0.0003  73 PRO B O   
1069 C CB  . PRO B 73 ? 0.7758 0.4517 0.4498 0.0756  -0.0078 -0.0123 73 PRO B CB  
1070 C CG  . PRO B 73 ? 0.7935 0.4627 0.4558 0.0890  -0.0161 -0.0160 73 PRO B CG  
1071 C CD  . PRO B 73 ? 0.7688 0.4399 0.4271 0.0754  0.0015  -0.0101 73 PRO B CD  
1072 N N   . ILE B 74 ? 0.6989 0.4121 0.4167 0.0282  0.0218  -0.0024 74 ILE B N   
1073 C CA  . ILE B 74 ? 0.7408 0.4382 0.4442 0.0187  0.0330  0.0005  74 ILE B CA  
1074 C C   . ILE B 74 ? 0.7758 0.4656 0.4760 0.0312  0.0216  -0.0013 74 ILE B C   
1075 O O   . ILE B 74 ? 0.7455 0.4620 0.4783 0.0339  0.0103  -0.0041 74 ILE B O   
1076 C CB  . ILE B 74 ? 0.7022 0.4272 0.4347 -0.0013 0.0413  0.0014  74 ILE B CB  
1077 C CG1 . ILE B 74 ? 0.7044 0.4432 0.4452 -0.0104 0.0500  0.0013  74 ILE B CG1 
1078 C CG2 . ILE B 74 ? 0.6960 0.4028 0.4126 -0.0121 0.0526  0.0033  74 ILE B CG2 
1079 C CD1 . ILE B 74 ? 0.7056 0.4832 0.4847 -0.0215 0.0486  -0.0004 74 ILE B CD1 
1080 N N   . ALA B 75 ? 0.8278 0.4789 0.4864 0.0411  0.0247  -0.0002 75 ALA B N   
1081 C CA  . ALA B 75 ? 0.8417 0.4823 0.4920 0.0529  0.0165  -0.0020 75 ALA B CA  
1082 C C   . ALA B 75 ? 0.8630 0.4969 0.5095 0.0374  0.0292  0.0019  75 ALA B C   
1083 O O   . ALA B 75 ? 0.9494 0.5496 0.5605 0.0316  0.0431  0.0052  75 ALA B O   
1084 C CB  . ALA B 75 ? 0.8796 0.4788 0.4821 0.0742  0.0125  -0.0034 75 ALA B CB  
1085 N N   . VAL B 76 ? 0.8257 0.4904 0.5082 0.0295  0.0256  0.0014  76 VAL B N   
1086 C CA  . VAL B 76 ? 0.7891 0.4511 0.4711 0.0129  0.0372  0.0042  76 VAL B CA  
1087 C C   . VAL B 76 ? 0.7970 0.4350 0.4559 0.0227  0.0354  0.0046  76 VAL B C   
1088 O O   . VAL B 76 ? 0.7856 0.4301 0.4515 0.0393  0.0231  0.0020  76 VAL B O   
1089 C CB  . VAL B 76 ? 0.7392 0.4419 0.4648 0.0001  0.0359  0.0036  76 VAL B CB  
1090 C CG1 . VAL B 76 ? 0.6845 0.4139 0.4358 0.0006  0.0304  0.0019  76 VAL B CG1 
1091 C CG2 . VAL B 76 ? 0.6998 0.4174 0.4450 0.0052  0.0289  0.0032  76 VAL B CG2 
1092 N N   . GLN B 77 ? 0.8206 0.4293 0.4509 0.0130  0.0478  0.0071  77 GLN B N   
1093 C CA  . GLN B 77 ? 0.9116 0.4941 0.5159 0.0233  0.0464  0.0078  77 GLN B CA  
1094 C C   . GLN B 77 ? 0.8793 0.4916 0.5168 0.0201  0.0412  0.0072  77 GLN B C   
1095 O O   . GLN B 77 ? 0.8138 0.4496 0.4772 0.0037  0.0453  0.0073  77 GLN B O   
1096 C CB  . GLN B 77 ? 0.9936 0.5315 0.5548 0.0131  0.0623  0.0103  77 GLN B CB  
1097 C CG  . GLN B 77 ? 1.1499 0.6567 0.6802 0.0227  0.0621  0.0113  77 GLN B CG  
1098 C CD  . GLN B 77 ? 1.2637 0.7448 0.7619 0.0504  0.0527  0.0105  77 GLN B CD  
1099 O OE1 . GLN B 77 ? 1.2831 0.7920 0.8059 0.0666  0.0373  0.0070  77 GLN B OE1 
1100 N NE2 . GLN B 77 ? 1.3039 0.7307 0.7462 0.0563  0.0619  0.0127  77 GLN B NE2 
1101 N N   . MET B 78 ? 0.8895 0.5014 0.5261 0.0376  0.0320  0.0059  78 MET B N   
1102 C CA  . MET B 78 ? 0.8977 0.5306 0.5585 0.0379  0.0292  0.0060  78 MET B CA  
1103 C C   . MET B 78 ? 0.9107 0.5133 0.5387 0.0512  0.0290  0.0064  78 MET B C   
1104 O O   . MET B 78 ? 0.9168 0.4922 0.5132 0.0670  0.0255  0.0051  78 MET B O   
1105 C CB  . MET B 78 ? 0.8699 0.5412 0.5725 0.0476  0.0183  0.0029  78 MET B CB  
1106 C CG  . MET B 78 ? 0.8888 0.5904 0.6247 0.0356  0.0181  0.0026  78 MET B CG  
1107 S SD  . MET B 78 ? 0.9046 0.6408 0.6818 0.0479  0.0056  -0.0024 78 MET B SD  
1108 C CE  . MET B 78 ? 0.9342 0.6548 0.6907 0.0592  -0.0025 -0.0065 78 MET B CE  
1109 N N   . THR B 79 ? 0.8857 0.4930 0.5205 0.0471  0.0319  0.0079  79 THR B N   
1110 C CA  . THR B 79 ? 0.9074 0.4893 0.5143 0.0603  0.0317  0.0083  79 THR B CA  
1111 C C   . THR B 79 ? 0.8186 0.4313 0.4585 0.0680  0.0275  0.0078  79 THR B C   
1112 O O   . THR B 79 ? 0.7981 0.4308 0.4616 0.0554  0.0315  0.0096  79 THR B O   
1113 C CB  . THR B 79 ? 0.9845 0.5308 0.5566 0.0463  0.0427  0.0109  79 THR B CB  
1114 O OG1 . THR B 79 ? 1.0583 0.5800 0.6062 0.0370  0.0494  0.0112  79 THR B OG1 
1115 C CG2 . THR B 79 ? 1.0503 0.5616 0.5844 0.0604  0.0433  0.0116  79 THR B CG2 
1116 N N   . LYS B 80 ? 0.7909 0.4055 0.4303 0.0895  0.0201  0.0048  80 LYS B N   
1117 C CA  . LYS B 80 ? 0.8008 0.4379 0.4652 0.0977  0.0196  0.0044  80 LYS B CA  
1118 C C   . LYS B 80 ? 0.8105 0.4219 0.4471 0.0930  0.0278  0.0087  80 LYS B C   
1119 O O   . LYS B 80 ? 0.8374 0.4086 0.4290 0.0964  0.0299  0.0096  80 LYS B O   
1120 C CB  . LYS B 80 ? 0.8185 0.4652 0.4900 0.1222  0.0100  -0.0015 80 LYS B CB  
1121 C CG  . LYS B 80 ? 0.8835 0.5384 0.5622 0.1308  -0.0007 -0.0076 80 LYS B CG  
1122 C CD  . LYS B 80 ? 0.9423 0.6152 0.6372 0.1555  -0.0127 -0.0166 80 LYS B CD  
1123 C CE  . LYS B 80 ? 0.9618 0.6044 0.6154 0.1761  -0.0232 -0.0217 80 LYS B CE  
1124 N NZ  . LYS B 80 ? 0.9806 0.6154 0.6260 0.1701  -0.0269 -0.0223 80 LYS B NZ  
1125 N N   . LEU B 81 ? 0.7988 0.4300 0.4591 0.0845  0.0328  0.0112  81 LEU B N   
1126 C CA  . LEU B 81 ? 0.8517 0.4584 0.4853 0.0811  0.0391  0.0142  81 LEU B CA  
1127 C C   . LEU B 81 ? 0.8532 0.4540 0.4775 0.1020  0.0385  0.0140  81 LEU B C   
1128 O O   . LEU B 81 ? 0.8499 0.4805 0.5064 0.1141  0.0358  0.0119  81 LEU B O   
1129 C CB  . LEU B 81 ? 0.8151 0.4414 0.4716 0.0662  0.0437  0.0163  81 LEU B CB  
1130 C CG  . LEU B 81 ? 0.8200 0.4508 0.4824 0.0460  0.0442  0.0154  81 LEU B CG  
1131 C CD1 . LEU B 81 ? 0.8239 0.4637 0.4954 0.0343  0.0474  0.0159  81 LEU B CD1 
1132 C CD2 . LEU B 81 ? 0.8273 0.4220 0.4518 0.0387  0.0458  0.0140  81 LEU B CD2 
1133 N N   . ALA B 82 ? 0.9030 0.4650 0.4837 0.1059  0.0413  0.0155  82 ALA B N   
1134 C CA  . ALA B 82 ? 0.9658 0.5184 0.5323 0.1274  0.0410  0.0153  82 ALA B CA  
1135 C C   . ALA B 82 ? 0.9967 0.5368 0.5500 0.1245  0.0477  0.0187  82 ALA B C   
1136 O O   . ALA B 82 ? 1.0550 0.6020 0.6127 0.1406  0.0499  0.0195  82 ALA B O   
1137 C CB  . ALA B 82 ? 1.0102 0.5227 0.5298 0.1408  0.0372  0.0135  82 ALA B CB  
1138 N N   . THR B 83 ? 1.0051 0.5280 0.5434 0.1048  0.0508  0.0198  83 THR B N   
1139 C CA  . THR B 83 ? 1.0334 0.5440 0.5586 0.1004  0.0551  0.0215  83 THR B CA  
1140 C C   . THR B 83 ? 0.9785 0.5132 0.5316 0.0820  0.0561  0.0213  83 THR B C   
1141 O O   . THR B 83 ? 0.9477 0.4933 0.5149 0.0667  0.0541  0.0193  83 THR B O   
1142 C CB  . THR B 83 ? 1.1069 0.5670 0.5803 0.0952  0.0560  0.0202  83 THR B CB  
1143 O OG1 . THR B 83 ? 1.1683 0.6101 0.6254 0.0886  0.0550  0.0184  83 THR B OG1 
1144 C CG2 . THR B 83 ? 1.2007 0.6322 0.6395 0.1162  0.0570  0.0216  83 THR B CG2 
1145 N N   . THR B 84 ? 0.9498 0.4899 0.5069 0.0851  0.0592  0.0231  84 THR B N   
1146 C CA  . THR B 84 ? 0.9317 0.4906 0.5089 0.0718  0.0592  0.0223  84 THR B CA  
1147 C C   . THR B 84 ? 0.9207 0.4575 0.4758 0.0535  0.0555  0.0169  84 THR B C   
1148 O O   . THR B 84 ? 0.8747 0.4279 0.4464 0.0406  0.0532  0.0138  84 THR B O   
1149 C CB  . THR B 84 ? 0.9571 0.5256 0.5419 0.0837  0.0645  0.0261  84 THR B CB  
1150 O OG1 . THR B 84 ? 1.0189 0.5873 0.6014 0.0731  0.0622  0.0236  84 THR B OG1 
1151 C CG2 . THR B 84 ? 0.9795 0.5212 0.5332 0.1007  0.0679  0.0282  84 THR B CG2 
1152 N N   . GLU B 85 ? 0.9608 0.4599 0.4784 0.0526  0.0554  0.0150  85 GLU B N   
1153 C CA  . GLU B 85 ? 0.9879 0.4634 0.4852 0.0335  0.0539  0.0085  85 GLU B CA  
1154 C C   . GLU B 85 ? 1.0154 0.5040 0.5307 0.0159  0.0542  0.0057  85 GLU B C   
1155 O O   . GLU B 85 ? 1.0564 0.5429 0.5733 -0.0034 0.0536  -0.0007 85 GLU B O   
1156 C CB  . GLU B 85 ? 1.0341 0.4608 0.4834 0.0383  0.0558  0.0078  85 GLU B CB  
1157 N N   . GLU B 86 ? 1.0036 0.5073 0.5339 0.0233  0.0550  0.0098  86 GLU B N   
1158 C CA  . GLU B 86 ? 0.9864 0.5024 0.5324 0.0107  0.0557  0.0083  86 GLU B CA  
1159 C C   . GLU B 86 ? 0.9320 0.4902 0.5196 0.0017  0.0530  0.0068  86 GLU B C   
1160 O O   . GLU B 86 ? 0.9334 0.5044 0.5359 -0.0113 0.0535  0.0044  86 GLU B O   
1161 C CB  . GLU B 86 ? 1.0092 0.5252 0.5540 0.0258  0.0552  0.0122  86 GLU B CB  
1162 C CG  . GLU B 86 ? 1.0997 0.5704 0.5983 0.0359  0.0575  0.0131  86 GLU B CG  
1163 C CD  . GLU B 86 ? 1.1570 0.6319 0.6567 0.0534  0.0543  0.0150  86 GLU B CD  
1164 O OE1 . GLU B 86 ? 1.2071 0.6948 0.7154 0.0734  0.0505  0.0163  86 GLU B OE1 
1165 O OE2 . GLU B 86 ? 1.2049 0.6730 0.6994 0.0475  0.0554  0.0142  86 GLU B OE2 
1166 N N   . LEU B 87 ? 0.9103 0.4872 0.5133 0.0100  0.0509  0.0084  87 LEU B N   
1167 C CA  . LEU B 87 ? 0.8351 0.4470 0.4715 0.0050  0.0486  0.0075  87 LEU B CA  
1168 C C   . LEU B 87 ? 0.8334 0.4450 0.4679 -0.0112 0.0455  -0.0003 87 LEU B C   
1169 O O   . LEU B 87 ? 0.9131 0.5019 0.5240 -0.0131 0.0443  -0.0043 87 LEU B O   
1170 C CB  . LEU B 87 ? 0.7939 0.4184 0.4405 0.0208  0.0500  0.0123  87 LEU B CB  
1171 C CG  . LEU B 87 ? 0.7824 0.4236 0.4494 0.0338  0.0530  0.0178  87 LEU B CG  
1172 C CD1 . LEU B 87 ? 0.7657 0.4183 0.4442 0.0464  0.0579  0.0221  87 LEU B CD1 
1173 C CD2 . LEU B 87 ? 0.7570 0.4245 0.4536 0.0262  0.0510  0.0171  87 LEU B CD2 
1174 N N   . PRO B 88 ? 0.8053 0.4427 0.4653 -0.0232 0.0436  -0.0041 88 PRO B N   
1175 C CA  . PRO B 88 ? 0.7758 0.4203 0.4406 -0.0378 0.0394  -0.0138 88 PRO B CA  
1176 C C   . PRO B 88 ? 0.7535 0.4064 0.4194 -0.0276 0.0339  -0.0152 88 PRO B C   
1177 O O   . PRO B 88 ? 0.7084 0.3665 0.3775 -0.0117 0.0358  -0.0075 88 PRO B O   
1178 C CB  . PRO B 88 ? 0.7352 0.4111 0.4306 -0.0463 0.0390  -0.0154 88 PRO B CB  
1179 C CG  . PRO B 88 ? 0.7527 0.4253 0.4490 -0.0406 0.0439  -0.0075 88 PRO B CG  
1180 C CD  . PRO B 88 ? 0.7549 0.4168 0.4406 -0.0222 0.0445  -0.0003 88 PRO B CD  
1181 N N   . ASP B 89 ? 0.7382 0.3928 0.4024 -0.0366 0.0274  -0.0260 89 ASP B N   
1182 C CA  . ASP B 89 ? 0.7250 0.3858 0.3865 -0.0261 0.0201  -0.0296 89 ASP B CA  
1183 C C   . ASP B 89 ? 0.6646 0.3548 0.3496 -0.0168 0.0195  -0.0252 89 ASP B C   
1184 O O   . ASP B 89 ? 0.6392 0.3277 0.3167 -0.0009 0.0189  -0.0213 89 ASP B O   
1185 C CB  . ASP B 89 ? 0.7685 0.4321 0.4302 -0.0391 0.0108  -0.0453 89 ASP B CB  
1186 C CG  . ASP B 89 ? 0.8582 0.4876 0.4926 -0.0473 0.0109  -0.0512 89 ASP B CG  
1187 O OD1 . ASP B 89 ? 0.8758 0.5066 0.5120 -0.0596 0.0032  -0.0659 89 ASP B OD1 
1188 O OD2 . ASP B 89 ? 0.8629 0.4647 0.4746 -0.0409 0.0181  -0.0420 89 ASP B OD2 
1189 N N   . GLU B 90 ? 0.6454 0.3596 0.3560 -0.0264 0.0205  -0.0258 90 GLU B N   
1190 C CA  . GLU B 90 ? 0.6218 0.3604 0.3523 -0.0178 0.0204  -0.0214 90 GLU B CA  
1191 C C   . GLU B 90 ? 0.5728 0.3244 0.3230 -0.0241 0.0258  -0.0161 90 GLU B C   
1192 O O   . GLU B 90 ? 0.5655 0.3159 0.3184 -0.0380 0.0271  -0.0199 90 GLU B O   
1193 C CB  . GLU B 90 ? 0.6585 0.4202 0.4021 -0.0211 0.0112  -0.0321 90 GLU B CB  
1194 C CG  . GLU B 90 ? 0.7678 0.5216 0.4972 -0.0227 0.0017  -0.0444 90 GLU B CG  
1195 C CD  . GLU B 90 ? 0.8094 0.5892 0.5524 -0.0196 -0.0088 -0.0550 90 GLU B CD  
1196 O OE1 . GLU B 90 ? 0.8919 0.6791 0.6383 -0.0286 -0.0183 -0.0702 90 GLU B OE1 
1197 O OE2 . GLU B 90 ? 0.8242 0.6164 0.5744 -0.0078 -0.0077 -0.0489 90 GLU B OE2 
1198 N N   . PHE B 91 ? 0.5299 0.2914 0.2920 -0.0136 0.0297  -0.0077 91 PHE B N   
1199 C CA  . PHE B 91 ? 0.4981 0.2700 0.2775 -0.0170 0.0335  -0.0030 91 PHE B CA  
1200 C C   . PHE B 91 ? 0.4572 0.2437 0.2531 -0.0069 0.0360  0.0028  91 PHE B C   
1201 O O   . PHE B 91 ? 0.4670 0.2509 0.2574 0.0034  0.0374  0.0051  91 PHE B O   
1202 C CB  . PHE B 91 ? 0.4960 0.2487 0.2641 -0.0153 0.0382  0.0017  91 PHE B CB  
1203 C CG  . PHE B 91 ? 0.5311 0.2687 0.2865 -0.0015 0.0421  0.0074  91 PHE B CG  
1204 C CD1 . PHE B 91 ? 0.5079 0.2525 0.2772 0.0089  0.0472  0.0141  91 PHE B CD1 
1205 C CD2 . PHE B 91 ? 0.5706 0.2859 0.3003 0.0005  0.0413  0.0052  91 PHE B CD2 
1206 C CE1 . PHE B 91 ? 0.5243 0.2574 0.2847 0.0214  0.0528  0.0188  91 PHE B CE1 
1207 C CE2 . PHE B 91 ? 0.5930 0.2940 0.3096 0.0145  0.0459  0.0106  91 PHE B CE2 
1208 C CZ  . PHE B 91 ? 0.5720 0.2826 0.3046 0.0250  0.0525  0.0176  91 PHE B CZ  
1209 N N   . VAL B 92 ? 0.4559 0.2549 0.2699 -0.0096 0.0374  0.0053  92 VAL B N   
1210 C CA  . VAL B 92 ? 0.4189 0.2287 0.2493 -0.0014 0.0411  0.0107  92 VAL B CA  
1211 C C   . VAL B 92 ? 0.4175 0.2231 0.2553 0.0023  0.0453  0.0152  92 VAL B C   
1212 O O   . VAL B 92 ? 0.4274 0.2264 0.2597 -0.0019 0.0432  0.0136  92 VAL B O   
1213 C CB  . VAL B 92 ? 0.4225 0.2521 0.2699 -0.0060 0.0376  0.0081  92 VAL B CB  
1214 C CG1 . VAL B 92 ? 0.4445 0.2815 0.2863 -0.0062 0.0324  0.0023  92 VAL B CG1 
1215 C CG2 . VAL B 92 ? 0.4206 0.2553 0.2740 -0.0158 0.0351  0.0054  92 VAL B CG2 
1216 N N   . VAL B 93 ? 0.4034 0.2119 0.2531 0.0106  0.0517  0.0200  93 VAL B N   
1217 C CA  . VAL B 93 ? 0.4110 0.2226 0.2755 0.0145  0.0544  0.0218  93 VAL B CA  
1218 C C   . VAL B 93 ? 0.3931 0.2223 0.2842 0.0127  0.0546  0.0217  93 VAL B C   
1219 O O   . VAL B 93 ? 0.4128 0.2454 0.3114 0.0150  0.0604  0.0243  93 VAL B O   
1220 C CB  . VAL B 93 ? 0.4370 0.2403 0.2994 0.0244  0.0631  0.0259  93 VAL B CB  
1221 C CG1 . VAL B 93 ? 0.4355 0.2467 0.3175 0.0292  0.0645  0.0252  93 VAL B CG1 
1222 C CG2 . VAL B 93 ? 0.4511 0.2341 0.2834 0.0272  0.0625  0.0259  93 VAL B CG2 
1223 N N   . VAL B 94 ? 0.3848 0.2215 0.2872 0.0103  0.0488  0.0187  94 VAL B N   
1224 C CA  . VAL B 94 ? 0.3861 0.2380 0.3135 0.0089  0.0475  0.0173  94 VAL B CA  
1225 C C   . VAL B 94 ? 0.3963 0.2545 0.3442 0.0148  0.0489  0.0157  94 VAL B C   
1226 O O   . VAL B 94 ? 0.4232 0.2778 0.3654 0.0186  0.0431  0.0127  94 VAL B O   
1227 C CB  . VAL B 94 ? 0.3703 0.2267 0.2952 0.0030  0.0389  0.0137  94 VAL B CB  
1228 C CG1 . VAL B 94 ? 0.3812 0.2510 0.3305 0.0033  0.0360  0.0114  94 VAL B CG1 
1229 C CG2 . VAL B 94 ? 0.3608 0.2174 0.2726 -0.0030 0.0379  0.0135  94 VAL B CG2 
1230 N N   . THR B 95 ? 0.3960 0.2622 0.3665 0.0164  0.0575  0.0170  95 THR B N   
1231 C CA  . THR B 95 ? 0.4184 0.2957 0.4154 0.0211  0.0596  0.0134  95 THR B CA  
1232 C C   . THR B 95 ? 0.4322 0.3251 0.4586 0.0170  0.0557  0.0081  95 THR B C   
1233 O O   . THR B 95 ? 0.3981 0.2915 0.4311 0.0118  0.0612  0.0104  95 THR B O   
1234 C CB  . THR B 95 ? 0.4603 0.3355 0.4652 0.0248  0.0748  0.0175  95 THR B CB  
1235 O OG1 . THR B 95 ? 0.4864 0.3446 0.4598 0.0293  0.0765  0.0218  95 THR B OG1 
1236 C CG2 . THR B 95 ? 0.4781 0.3689 0.5150 0.0295  0.0784  0.0123  95 THR B CG2 
1237 N N   . VAL B 96 ? 0.4371 0.3400 0.4774 0.0207  0.0451  0.0005  96 VAL B N   
1238 C CA  . VAL B 96 ? 0.4659 0.3836 0.5356 0.0175  0.0399  -0.0062 96 VAL B CA  
1239 C C   . VAL B 96 ? 0.5128 0.4475 0.6203 0.0198  0.0455  -0.0123 96 VAL B C   
1240 O O   . VAL B 96 ? 0.4820 0.4209 0.5917 0.0283  0.0436  -0.0155 96 VAL B O   
1241 C CB  . VAL B 96 ? 0.4650 0.3829 0.5258 0.0210  0.0231  -0.0124 96 VAL B CB  
1242 C CG1 . VAL B 96 ? 0.4480 0.3814 0.5402 0.0201  0.0152  -0.0218 96 VAL B CG1 
1243 C CG2 . VAL B 96 ? 0.4852 0.3884 0.5128 0.0170  0.0204  -0.0069 96 VAL B CG2 
1244 N N   . LYS B 97 ? 0.5509 0.4942 0.6870 0.0122  0.0529  -0.0144 97 LYS B N   
1245 C CA  . LYS B 97 ? 0.6316 0.5927 0.8109 0.0100  0.0617  -0.0212 97 LYS B CA  
1246 C C   . LYS B 97 ? 0.6853 0.6675 0.8917 0.0159  0.0447  -0.0358 97 LYS B C   
1247 O O   . LYS B 97 ? 0.6752 0.6617 0.8750 0.0271  0.0365  -0.0395 97 LYS B O   
1248 C CB  . LYS B 97 ? 0.6176 0.5758 0.8137 -0.0012 0.0739  -0.0195 97 LYS B CB  
1249 O OXT . LYS B 97 ? 0.7288 0.7232 0.9630 0.0109  0.0380  -0.0451 97 LYS B OXT 
# 
