data_9GR3
# 
_entry.id   9GR3 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.402 
_audit_conform.dict_location   http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic 
# 
loop_
_database_2.database_id 
_database_2.database_code 
_database_2.pdbx_database_accession 
_database_2.pdbx_DOI 
PDB   9GR3         pdb_00009gr3 10.2210/pdb9gr3/pdb 
WWPDB D_1292141566 ?            ?                   
# 
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 
_pdbx_audit_revision_history.part_number 
1 'Structure model' 1 0 2025-03-05 ? 
2 'Structure model' 1 1 2025-03-12 ? 
# 
_pdbx_audit_revision_details.ordinal             1 
_pdbx_audit_revision_details.revision_ordinal    1 
_pdbx_audit_revision_details.data_content_type   'Structure model' 
_pdbx_audit_revision_details.provider            repository 
_pdbx_audit_revision_details.type                'Initial release' 
_pdbx_audit_revision_details.description         ? 
_pdbx_audit_revision_details.details             ? 
# 
_pdbx_audit_revision_group.ordinal             1 
_pdbx_audit_revision_group.revision_ordinal    2 
_pdbx_audit_revision_group.data_content_type   'Structure model' 
_pdbx_audit_revision_group.group               'Database references' 
# 
loop_
_pdbx_audit_revision_category.ordinal 
_pdbx_audit_revision_category.revision_ordinal 
_pdbx_audit_revision_category.data_content_type 
_pdbx_audit_revision_category.category 
1 2 'Structure model' citation        
2 2 'Structure model' citation_author 
# 
loop_
_pdbx_audit_revision_item.ordinal 
_pdbx_audit_revision_item.revision_ordinal 
_pdbx_audit_revision_item.data_content_type 
_pdbx_audit_revision_item.item 
1 2 'Structure model' '_citation.journal_volume'          
2 2 'Structure model' '_citation.page_first'              
3 2 'Structure model' '_citation.page_last'               
4 2 'Structure model' '_citation_author.identifier_ORCID' 
# 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.entry_id                        9GR3 
_pdbx_database_status.recvd_initial_deposition_date   2024-09-10 
_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 
# 
_pdbx_database_related.db_name        PDB 
_pdbx_database_related.details        . 
_pdbx_database_related.db_id          8C9Y 
_pdbx_database_related.content_type   unspecified 
# 
_pdbx_contact_author.id                 3 
_pdbx_contact_author.email              peter.crowley@universityofgalway.ie 
_pdbx_contact_author.name_first         Peter 
_pdbx_contact_author.name_last          Crowley 
_pdbx_contact_author.name_mi            B 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0002-5365-0096 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Mockler, N.M.' 1 0000-0003-3392-9564 
'Ramberg, K.O.' 2 0000-0002-3991-4809 
'Flood, R.J.'   3 0000-0002-0848-4236 
'Crowley, P.B.' 4 0000-0002-5365-0096 
# 
_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                   US 
_citation.database_id_Medline       ? 
_citation.details                   ? 
_citation.id                        primary 
_citation.journal_abbrev            Biochemistry 
_citation.journal_id_ASTM           BICHAW 
_citation.journal_id_CSD            0033 
_citation.journal_id_ISSN           0006-2960 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            64 
_citation.language                  ? 
_citation.page_first                1092 
_citation.page_last                 1098 
_citation.title                     'N-Terminal Protein Binding and Disorder-to-Order Transition by a Synthetic Receptor.' 
_citation.year                      2025 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      10.1021/acs.biochem.4c00729 
_citation.pdbx_database_id_PubMed   39977527 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Mockler, N.M.' 1 ? 
primary 'Ramberg, K.O.' 2 ? 
primary 'Flood, R.J.'   3 ? 
primary 'Crowley, P.B.' 4 ? 
# 
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 'Fucose-binding lectin protein' 9906.859 3   ? 'Met0, S1K' ? 'Met-Lys N-terminal extension' 
2 non-polymer syn 
;25,26,27,28-tetrahydroxypentacyclo[19.3.1.1~3,7~.1~9,13~.1~15,19~]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene-5,11,17,23-tetrasulfonic acid
;
744.741  2   ? ?           ? ?                              
3 non-polymer syn beta-D-fructopyranose 180.156  6   ? ?           ? ?                              
4 water       nat water 18.015   346 ? ?           ? ?                              
# 
_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       
;MKSVQTAATSWGTVPSIRVYTANNGKITERCWDGKGWYTGAFNEPGDNVSVTSWLVGSAIHIRVYASTGTTTTEWCWDGN
GWTKGAYTATN
;
_entity_poly.pdbx_seq_one_letter_code_can   
;MKSVQTAATSWGTVPSIRVYTANNGKITERCWDGKGWYTGAFNEPGDNVSVTSWLVGSAIHIRVYASTGTTTTEWCWDGN
GWTKGAYTATN
;
_entity_poly.pdbx_strand_id                 A,B,C 
_entity_poly.pdbx_target_identifier         ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
2 
;25,26,27,28-tetrahydroxypentacyclo[19.3.1.1~3,7~.1~9,13~.1~15,19~]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene-5,11,17,23-tetrasulfonic acid
;
T3Y 
3 beta-D-fructopyranose BDF 
4 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  LYS n 
1 3  SER n 
1 4  VAL n 
1 5  GLN n 
1 6  THR n 
1 7  ALA n 
1 8  ALA n 
1 9  THR n 
1 10 SER n 
1 11 TRP n 
1 12 GLY n 
1 13 THR n 
1 14 VAL n 
1 15 PRO n 
1 16 SER n 
1 17 ILE n 
1 18 ARG n 
1 19 VAL n 
1 20 TYR n 
1 21 THR n 
1 22 ALA n 
1 23 ASN n 
1 24 ASN n 
1 25 GLY n 
1 26 LYS n 
1 27 ILE n 
1 28 THR n 
1 29 GLU n 
1 30 ARG n 
1 31 CYS n 
1 32 TRP n 
1 33 ASP n 
1 34 GLY n 
1 35 LYS n 
1 36 GLY n 
1 37 TRP n 
1 38 TYR n 
1 39 THR n 
1 40 GLY n 
1 41 ALA n 
1 42 PHE n 
1 43 ASN n 
1 44 GLU n 
1 45 PRO n 
1 46 GLY n 
1 47 ASP n 
1 48 ASN n 
1 49 VAL n 
1 50 SER n 
1 51 VAL n 
1 52 THR n 
1 53 SER n 
1 54 TRP n 
1 55 LEU n 
1 56 VAL n 
1 57 GLY n 
1 58 SER n 
1 59 ALA n 
1 60 ILE n 
1 61 HIS n 
1 62 ILE n 
1 63 ARG n 
1 64 VAL n 
1 65 TYR n 
1 66 ALA n 
1 67 SER n 
1 68 THR n 
1 69 GLY n 
1 70 THR n 
1 71 THR n 
1 72 THR n 
1 73 THR n 
1 74 GLU n 
1 75 TRP n 
1 76 CYS n 
1 77 TRP n 
1 78 ASP n 
1 79 GLY n 
1 80 ASN n 
1 81 GLY n 
1 82 TRP n 
1 83 THR n 
1 84 LYS n 
1 85 GLY n 
1 86 ALA n 
1 87 TYR n 
1 88 THR n 
1 89 ALA n 
1 90 THR n 
1 91 ASN 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                   91 
_entity_src_gen.gene_src_common_name               ? 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 'E7Z57_08365, HF909_06975, LBW55_09125, RUN39_v1_50103' 
_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      'Ralstonia solanacearum' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     305 
_entity_src_gen.pdbx_gene_src_variant              ? 
_entity_src_gen.pdbx_gene_src_cell_line            ? 
_entity_src_gen.pdbx_gene_src_atcc                 ? 
_entity_src_gen.pdbx_gene_src_organ                ? 
_entity_src_gen.pdbx_gene_src_organelle            ? 
_entity_src_gen.pdbx_gene_src_cell                 ? 
_entity_src_gen.pdbx_gene_src_cellular_location    ? 
_entity_src_gen.host_org_common_name               ? 
_entity_src_gen.pdbx_host_org_scientific_name      'Escherichia coli' 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     562 
_entity_src_gen.host_org_genus                     ? 
_entity_src_gen.pdbx_host_org_gene                 ? 
_entity_src_gen.pdbx_host_org_organ                ? 
_entity_src_gen.host_org_species                   ? 
_entity_src_gen.pdbx_host_org_tissue               ? 
_entity_src_gen.pdbx_host_org_tissue_fraction      ? 
_entity_src_gen.pdbx_host_org_strain               ? 
_entity_src_gen.pdbx_host_org_variant              ? 
_entity_src_gen.pdbx_host_org_cell_line            ? 
_entity_src_gen.pdbx_host_org_atcc                 ? 
_entity_src_gen.pdbx_host_org_culture_collection   ? 
_entity_src_gen.pdbx_host_org_cell                 ? 
_entity_src_gen.pdbx_host_org_organelle            ? 
_entity_src_gen.pdbx_host_org_cellular_location    ? 
_entity_src_gen.pdbx_host_org_vector_type          ? 
_entity_src_gen.pdbx_host_org_vector               ? 
_entity_src_gen.host_org_details                   ? 
_entity_src_gen.expression_system_id               ? 
_entity_src_gen.plasmid_name                       ? 
_entity_src_gen.plasmid_details                    ? 
_entity_src_gen.pdbx_description                   ? 
# 
loop_
_chem_comp.id 
_chem_comp.type 
_chem_comp.mon_nstd_flag 
_chem_comp.name 
_chem_comp.pdbx_synonyms 
_chem_comp.formula 
_chem_comp.formula_weight 
ALA 'L-peptide linking'          y ALANINE ?                                                              'C3 H7 N O2'     89.093  
ARG 'L-peptide linking'          y ARGININE ?                                                              'C6 H15 N4 O2 1' 
175.209 
ASN 'L-peptide linking'          y ASPARAGINE ?                                                              'C4 H8 N2 O3'    
132.118 
ASP 'L-peptide linking'          y 'ASPARTIC ACID' ?                                                              'C4 H7 N O4'     
133.103 
BDF 'D-saccharide, beta linking' . beta-D-fructopyranose 'beta-D-fructose; D-fructose; fructose'                        
'C6 H12 O6'      180.156 
CYS 'L-peptide linking'          y CYSTEINE ?                                                              'C3 H7 N O2 S'   
121.158 
GLN 'L-peptide linking'          y GLUTAMINE ?                                                              'C5 H10 N2 O3'   
146.144 
GLU 'L-peptide linking'          y 'GLUTAMIC ACID' ?                                                              'C5 H9 N O4'     
147.129 
GLY 'peptide linking'            y GLYCINE ?                                                              'C2 H5 N O2'     75.067  
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 
T3Y non-polymer                  . 
;25,26,27,28-tetrahydroxypentacyclo[19.3.1.1~3,7~.1~9,13~.1~15,19~]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene-5,11,17,23-tetrasulfonic acid
;
'5,11,17,23-tetra-sulphonato-calix[4]arene-25,26,27,28-tetrol' 'C28 H24 O16 S4' 744.741 
THR 'L-peptide linking'          y THREONINE ?                                                              'C4 H9 N O3'     
119.119 
TRP 'L-peptide linking'          y TRYPTOPHAN ?                                                              'C11 H12 N2 O2'  
204.225 
TYR 'L-peptide linking'          y TYROSINE ?                                                              'C9 H11 N O3'    
181.189 
VAL 'L-peptide linking'          y VALINE ?                                                              'C5 H11 N O2'    117.146 
# 
loop_
_pdbx_chem_comp_identifier.comp_id 
_pdbx_chem_comp_identifier.type 
_pdbx_chem_comp_identifier.program 
_pdbx_chem_comp_identifier.program_version 
_pdbx_chem_comp_identifier.identifier 
BDF 'CONDENSED IUPAC CARBOHYDRATE SYMBOL' GMML     1.0 DFrupb             
BDF 'COMMON NAME'                         GMML     1.0 b-D-fructopyranose 
BDF 'IUPAC CARBOHYDRATE SYMBOL'           PDB-CARE 1.0 b-D-Frup           
BDF 'SNFG CARBOHYDRATE SYMBOL'            GMML     1.0 Fru                
# 
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  0  0  MET MET A . n 
A 1 2  LYS 2  1  1  LYS LYS A . n 
A 1 3  SER 3  2  2  SER SER A . n 
A 1 4  VAL 4  3  3  VAL VAL A . n 
A 1 5  GLN 5  4  4  GLN GLN A . n 
A 1 6  THR 6  5  5  THR THR A . n 
A 1 7  ALA 7  6  6  ALA ALA A . n 
A 1 8  ALA 8  7  7  ALA ALA A . n 
A 1 9  THR 9  8  8  THR THR A . n 
A 1 10 SER 10 9  9  SER SER A . n 
A 1 11 TRP 11 10 10 TRP TRP A . n 
A 1 12 GLY 12 11 11 GLY GLY A . n 
A 1 13 THR 13 12 12 THR THR A . n 
A 1 14 VAL 14 13 13 VAL VAL A . n 
A 1 15 PRO 15 14 14 PRO PRO A . n 
A 1 16 SER 16 15 15 SER SER A . n 
A 1 17 ILE 17 16 16 ILE ILE A . n 
A 1 18 ARG 18 17 17 ARG ARG A . n 
A 1 19 VAL 19 18 18 VAL VAL A . n 
A 1 20 TYR 20 19 19 TYR TYR A . n 
A 1 21 THR 21 20 20 THR THR A . n 
A 1 22 ALA 22 21 21 ALA ALA A . n 
A 1 23 ASN 23 22 22 ASN ASN A . n 
A 1 24 ASN 24 23 23 ASN ASN A . n 
A 1 25 GLY 25 24 24 GLY GLY A . n 
A 1 26 LYS 26 25 25 LYS LYS A . n 
A 1 27 ILE 27 26 26 ILE ILE A . n 
A 1 28 THR 28 27 27 THR THR A . n 
A 1 29 GLU 29 28 28 GLU GLU A . n 
A 1 30 ARG 30 29 29 ARG ARG A . n 
A 1 31 CYS 31 30 30 CYS CYS A . n 
A 1 32 TRP 32 31 31 TRP TRP A . n 
A 1 33 ASP 33 32 32 ASP ASP A . n 
A 1 34 GLY 34 33 33 GLY GLY A . n 
A 1 35 LYS 35 34 34 LYS LYS A . n 
A 1 36 GLY 36 35 35 GLY GLY A . n 
A 1 37 TRP 37 36 36 TRP TRP A . n 
A 1 38 TYR 38 37 37 TYR TYR A . n 
A 1 39 THR 39 38 38 THR THR A . n 
A 1 40 GLY 40 39 39 GLY GLY A . n 
A 1 41 ALA 41 40 40 ALA ALA A . n 
A 1 42 PHE 42 41 41 PHE PHE A . n 
A 1 43 ASN 43 42 42 ASN ASN A . n 
A 1 44 GLU 44 43 43 GLU GLU A . n 
A 1 45 PRO 45 44 44 PRO PRO A . n 
A 1 46 GLY 46 45 45 GLY GLY A . n 
A 1 47 ASP 47 46 46 ASP ASP A . n 
A 1 48 ASN 48 47 47 ASN ASN A . n 
A 1 49 VAL 49 48 48 VAL VAL A . n 
A 1 50 SER 50 49 49 SER SER A . n 
A 1 51 VAL 51 50 50 VAL VAL A . n 
A 1 52 THR 52 51 51 THR THR A . n 
A 1 53 SER 53 52 52 SER SER A . n 
A 1 54 TRP 54 53 53 TRP TRP A . n 
A 1 55 LEU 55 54 54 LEU LEU A . n 
A 1 56 VAL 56 55 55 VAL VAL A . n 
A 1 57 GLY 57 56 56 GLY GLY A . n 
A 1 58 SER 58 57 57 SER SER A . n 
A 1 59 ALA 59 58 58 ALA ALA A . n 
A 1 60 ILE 60 59 59 ILE ILE A . n 
A 1 61 HIS 61 60 60 HIS HIS A . n 
A 1 62 ILE 62 61 61 ILE ILE A . n 
A 1 63 ARG 63 62 62 ARG ARG A . n 
A 1 64 VAL 64 63 63 VAL VAL A . n 
A 1 65 TYR 65 64 64 TYR TYR A . n 
A 1 66 ALA 66 65 65 ALA ALA A . n 
A 1 67 SER 67 66 66 SER SER A . n 
A 1 68 THR 68 67 67 THR THR A . n 
A 1 69 GLY 69 68 68 GLY GLY A . n 
A 1 70 THR 70 69 69 THR THR A . n 
A 1 71 THR 71 70 70 THR THR A . n 
A 1 72 THR 72 71 71 THR THR A . n 
A 1 73 THR 73 72 72 THR THR A . n 
A 1 74 GLU 74 73 73 GLU GLU A . n 
A 1 75 TRP 75 74 74 TRP TRP A . n 
A 1 76 CYS 76 75 75 CYS CYS A . n 
A 1 77 TRP 77 76 76 TRP TRP A . n 
A 1 78 ASP 78 77 77 ASP ASP A . n 
A 1 79 GLY 79 78 78 GLY GLY A . n 
A 1 80 ASN 80 79 79 ASN ASN A . n 
A 1 81 GLY 81 80 80 GLY GLY A . n 
A 1 82 TRP 82 81 81 TRP TRP A . n 
A 1 83 THR 83 82 82 THR THR A . n 
A 1 84 LYS 84 83 83 LYS LYS A . n 
A 1 85 GLY 85 84 84 GLY GLY A . n 
A 1 86 ALA 86 85 85 ALA ALA A . n 
A 1 87 TYR 87 86 86 TYR TYR A . n 
A 1 88 THR 88 87 87 THR THR A . n 
A 1 89 ALA 89 88 88 ALA ALA A . n 
A 1 90 THR 90 89 89 THR THR A . n 
A 1 91 ASN 91 90 90 ASN ASN A . n 
B 1 1  MET 1  0  0  MET MET B . n 
B 1 2  LYS 2  1  1  LYS LYS B . n 
B 1 3  SER 3  2  2  SER SER B . n 
B 1 4  VAL 4  3  3  VAL VAL B . n 
B 1 5  GLN 5  4  4  GLN GLN B . n 
B 1 6  THR 6  5  5  THR THR B . n 
B 1 7  ALA 7  6  6  ALA ALA B . n 
B 1 8  ALA 8  7  7  ALA ALA B . n 
B 1 9  THR 9  8  8  THR THR B . n 
B 1 10 SER 10 9  9  SER SER B . n 
B 1 11 TRP 11 10 10 TRP TRP B . n 
B 1 12 GLY 12 11 11 GLY GLY B . n 
B 1 13 THR 13 12 12 THR THR B . n 
B 1 14 VAL 14 13 13 VAL VAL B . n 
B 1 15 PRO 15 14 14 PRO PRO B . n 
B 1 16 SER 16 15 15 SER SER B . n 
B 1 17 ILE 17 16 16 ILE ILE B . n 
B 1 18 ARG 18 17 17 ARG ARG B . n 
B 1 19 VAL 19 18 18 VAL VAL B . n 
B 1 20 TYR 20 19 19 TYR TYR B . n 
B 1 21 THR 21 20 20 THR THR B . n 
B 1 22 ALA 22 21 21 ALA ALA B . n 
B 1 23 ASN 23 22 22 ASN ASN B . n 
B 1 24 ASN 24 23 23 ASN ASN B . n 
B 1 25 GLY 25 24 24 GLY GLY B . n 
B 1 26 LYS 26 25 25 LYS LYS B . n 
B 1 27 ILE 27 26 26 ILE ILE B . n 
B 1 28 THR 28 27 27 THR THR B . n 
B 1 29 GLU 29 28 28 GLU GLU B . n 
B 1 30 ARG 30 29 29 ARG ARG B . n 
B 1 31 CYS 31 30 30 CYS CYS B . n 
B 1 32 TRP 32 31 31 TRP TRP B . n 
B 1 33 ASP 33 32 32 ASP ASP B . n 
B 1 34 GLY 34 33 33 GLY GLY B . n 
B 1 35 LYS 35 34 34 LYS LYS B . n 
B 1 36 GLY 36 35 35 GLY GLY B . n 
B 1 37 TRP 37 36 36 TRP TRP B . n 
B 1 38 TYR 38 37 37 TYR TYR B . n 
B 1 39 THR 39 38 38 THR THR B . n 
B 1 40 GLY 40 39 39 GLY GLY B . n 
B 1 41 ALA 41 40 40 ALA ALA B . n 
B 1 42 PHE 42 41 41 PHE PHE B . n 
B 1 43 ASN 43 42 42 ASN ASN B . n 
B 1 44 GLU 44 43 43 GLU GLU B . n 
B 1 45 PRO 45 44 44 PRO PRO B . n 
B 1 46 GLY 46 45 45 GLY GLY B . n 
B 1 47 ASP 47 46 46 ASP ASP B . n 
B 1 48 ASN 48 47 47 ASN ASN B . n 
B 1 49 VAL 49 48 48 VAL VAL B . n 
B 1 50 SER 50 49 49 SER SER B . n 
B 1 51 VAL 51 50 50 VAL VAL B . n 
B 1 52 THR 52 51 51 THR THR B . n 
B 1 53 SER 53 52 52 SER SER B . n 
B 1 54 TRP 54 53 53 TRP TRP B . n 
B 1 55 LEU 55 54 54 LEU LEU B . n 
B 1 56 VAL 56 55 55 VAL VAL B . n 
B 1 57 GLY 57 56 56 GLY GLY B . n 
B 1 58 SER 58 57 57 SER SER B . n 
B 1 59 ALA 59 58 58 ALA ALA B . n 
B 1 60 ILE 60 59 59 ILE ILE B . n 
B 1 61 HIS 61 60 60 HIS HIS B . n 
B 1 62 ILE 62 61 61 ILE ILE B . n 
B 1 63 ARG 63 62 62 ARG ARG B . n 
B 1 64 VAL 64 63 63 VAL VAL B . n 
B 1 65 TYR 65 64 64 TYR TYR B . n 
B 1 66 ALA 66 65 65 ALA ALA B . n 
B 1 67 SER 67 66 66 SER SER B . n 
B 1 68 THR 68 67 67 THR THR B . n 
B 1 69 GLY 69 68 68 GLY GLY B . n 
B 1 70 THR 70 69 69 THR THR B . n 
B 1 71 THR 71 70 70 THR THR B . n 
B 1 72 THR 72 71 71 THR THR B . n 
B 1 73 THR 73 72 72 THR THR B . n 
B 1 74 GLU 74 73 73 GLU GLU B . n 
B 1 75 TRP 75 74 74 TRP TRP B . n 
B 1 76 CYS 76 75 75 CYS CYS B . n 
B 1 77 TRP 77 76 76 TRP TRP B . n 
B 1 78 ASP 78 77 77 ASP ASP B . n 
B 1 79 GLY 79 78 78 GLY GLY B . n 
B 1 80 ASN 80 79 79 ASN ASN B . n 
B 1 81 GLY 81 80 80 GLY GLY B . n 
B 1 82 TRP 82 81 81 TRP TRP B . n 
B 1 83 THR 83 82 82 THR THR B . n 
B 1 84 LYS 84 83 83 LYS LYS B . n 
B 1 85 GLY 85 84 84 GLY GLY B . n 
B 1 86 ALA 86 85 85 ALA ALA B . n 
B 1 87 TYR 87 86 86 TYR TYR B . n 
B 1 88 THR 88 87 87 THR THR B . n 
B 1 89 ALA 89 88 88 ALA ALA B . n 
B 1 90 THR 90 89 89 THR THR B . n 
B 1 91 ASN 91 90 90 ASN ASN B . n 
C 1 1  MET 1  0  ?  ?   ?   C . n 
C 1 2  LYS 2  1  ?  ?   ?   C . n 
C 1 3  SER 3  2  2  SER SER C . n 
C 1 4  VAL 4  3  3  VAL VAL C . n 
C 1 5  GLN 5  4  4  GLN GLN C . n 
C 1 6  THR 6  5  5  THR THR C . n 
C 1 7  ALA 7  6  6  ALA ALA C . n 
C 1 8  ALA 8  7  7  ALA ALA C . n 
C 1 9  THR 9  8  8  THR THR C . n 
C 1 10 SER 10 9  9  SER SER C . n 
C 1 11 TRP 11 10 10 TRP TRP C . n 
C 1 12 GLY 12 11 11 GLY GLY C . n 
C 1 13 THR 13 12 12 THR THR C . n 
C 1 14 VAL 14 13 13 VAL VAL C . n 
C 1 15 PRO 15 14 14 PRO PRO C . n 
C 1 16 SER 16 15 15 SER SER C . n 
C 1 17 ILE 17 16 16 ILE ILE C . n 
C 1 18 ARG 18 17 17 ARG ARG C . n 
C 1 19 VAL 19 18 18 VAL VAL C . n 
C 1 20 TYR 20 19 19 TYR TYR C . n 
C 1 21 THR 21 20 20 THR THR C . n 
C 1 22 ALA 22 21 21 ALA ALA C . n 
C 1 23 ASN 23 22 22 ASN ASN C . n 
C 1 24 ASN 24 23 23 ASN ASN C . n 
C 1 25 GLY 25 24 24 GLY GLY C . n 
C 1 26 LYS 26 25 25 LYS LYS C . n 
C 1 27 ILE 27 26 26 ILE ILE C . n 
C 1 28 THR 28 27 27 THR THR C . n 
C 1 29 GLU 29 28 28 GLU GLU C . n 
C 1 30 ARG 30 29 29 ARG ARG C . n 
C 1 31 CYS 31 30 30 CYS CYS C . n 
C 1 32 TRP 32 31 31 TRP TRP C . n 
C 1 33 ASP 33 32 32 ASP ASP C . n 
C 1 34 GLY 34 33 33 GLY GLY C . n 
C 1 35 LYS 35 34 34 LYS LYS C . n 
C 1 36 GLY 36 35 35 GLY GLY C . n 
C 1 37 TRP 37 36 36 TRP TRP C . n 
C 1 38 TYR 38 37 37 TYR TYR C . n 
C 1 39 THR 39 38 38 THR THR C . n 
C 1 40 GLY 40 39 39 GLY GLY C . n 
C 1 41 ALA 41 40 40 ALA ALA C . n 
C 1 42 PHE 42 41 41 PHE PHE C . n 
C 1 43 ASN 43 42 42 ASN ASN C . n 
C 1 44 GLU 44 43 43 GLU GLU C . n 
C 1 45 PRO 45 44 44 PRO PRO C . n 
C 1 46 GLY 46 45 45 GLY GLY C . n 
C 1 47 ASP 47 46 46 ASP ASP C . n 
C 1 48 ASN 48 47 47 ASN ASN C . n 
C 1 49 VAL 49 48 48 VAL VAL C . n 
C 1 50 SER 50 49 49 SER SER C . n 
C 1 51 VAL 51 50 50 VAL VAL C . n 
C 1 52 THR 52 51 51 THR THR C . n 
C 1 53 SER 53 52 52 SER SER C . n 
C 1 54 TRP 54 53 53 TRP TRP C . n 
C 1 55 LEU 55 54 54 LEU LEU C . n 
C 1 56 VAL 56 55 55 VAL VAL C . n 
C 1 57 GLY 57 56 56 GLY GLY C . n 
C 1 58 SER 58 57 57 SER SER C . n 
C 1 59 ALA 59 58 58 ALA ALA C . n 
C 1 60 ILE 60 59 59 ILE ILE C . n 
C 1 61 HIS 61 60 60 HIS HIS C . n 
C 1 62 ILE 62 61 61 ILE ILE C . n 
C 1 63 ARG 63 62 62 ARG ARG C . n 
C 1 64 VAL 64 63 63 VAL VAL C . n 
C 1 65 TYR 65 64 64 TYR TYR C . n 
C 1 66 ALA 66 65 65 ALA ALA C . n 
C 1 67 SER 67 66 66 SER SER C . n 
C 1 68 THR 68 67 67 THR THR C . n 
C 1 69 GLY 69 68 68 GLY GLY C . n 
C 1 70 THR 70 69 69 THR THR C . n 
C 1 71 THR 71 70 70 THR THR C . n 
C 1 72 THR 72 71 71 THR THR C . n 
C 1 73 THR 73 72 72 THR THR C . n 
C 1 74 GLU 74 73 73 GLU GLU C . n 
C 1 75 TRP 75 74 74 TRP TRP C . n 
C 1 76 CYS 76 75 75 CYS CYS C . n 
C 1 77 TRP 77 76 76 TRP TRP C . n 
C 1 78 ASP 78 77 77 ASP ASP C . n 
C 1 79 GLY 79 78 78 GLY GLY C . n 
C 1 80 ASN 80 79 79 ASN ASN C . n 
C 1 81 GLY 81 80 80 GLY GLY C . n 
C 1 82 TRP 82 81 81 TRP TRP C . n 
C 1 83 THR 83 82 82 THR THR C . n 
C 1 84 LYS 84 83 83 LYS LYS C . n 
C 1 85 GLY 85 84 84 GLY GLY C . n 
C 1 86 ALA 86 85 85 ALA ALA C . n 
C 1 87 TYR 87 86 86 TYR TYR C . n 
C 1 88 THR 88 87 87 THR THR C . n 
C 1 89 ALA 89 88 88 ALA ALA C . n 
C 1 90 THR 90 89 89 THR THR C . n 
C 1 91 ASN 91 90 90 ASN ASN C . n 
# 
loop_
_pdbx_entity_instance_feature.ordinal 
_pdbx_entity_instance_feature.comp_id 
_pdbx_entity_instance_feature.asym_id 
_pdbx_entity_instance_feature.seq_num 
_pdbx_entity_instance_feature.auth_comp_id 
_pdbx_entity_instance_feature.auth_asym_id 
_pdbx_entity_instance_feature.auth_seq_num 
_pdbx_entity_instance_feature.feature_type 
_pdbx_entity_instance_feature.details 
1 BDF ? ? BDF ? ? 'SUBJECT OF INVESTIGATION' ? 
2 T3Y ? ? T3Y ? ? 'SUBJECT OF INVESTIGATION' ? 
# 
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 
D 2 T3Y 1   101 101 T3Y T3Y A . 
E 3 BDF 1   102 301 BDF BDF A . 
F 3 BDF 1   103 401 BDF BDF A . 
G 2 T3Y 1   101 101 T3Y T3Y B . 
H 3 BDF 1   102 201 BDF BDF B . 
I 3 BDF 1   103 301 BDF BDF B . 
J 3 BDF 1   101 101 BDF BDF C . 
K 3 BDF 1   102 201 BDF BDF C . 
L 4 HOH 1   201 302 HOH HOH A . 
L 4 HOH 2   202 182 HOH HOH A . 
L 4 HOH 3   203 176 HOH HOH A . 
L 4 HOH 4   204 287 HOH HOH A . 
L 4 HOH 5   205 109 HOH HOH A . 
L 4 HOH 6   206 86  HOH HOH A . 
L 4 HOH 7   207 100 HOH HOH A . 
L 4 HOH 8   208 116 HOH HOH A . 
L 4 HOH 9   209 145 HOH HOH A . 
L 4 HOH 10  210 289 HOH HOH A . 
L 4 HOH 11  211 188 HOH HOH A . 
L 4 HOH 12  212 190 HOH HOH A . 
L 4 HOH 13  213 70  HOH HOH A . 
L 4 HOH 14  214 113 HOH HOH A . 
L 4 HOH 15  215 89  HOH HOH A . 
L 4 HOH 16  216 154 HOH HOH A . 
L 4 HOH 17  217 351 HOH HOH A . 
L 4 HOH 18  218 82  HOH HOH A . 
L 4 HOH 19  219 5   HOH HOH A . 
L 4 HOH 20  220 83  HOH HOH A . 
L 4 HOH 21  221 24  HOH HOH A . 
L 4 HOH 22  222 186 HOH HOH A . 
L 4 HOH 23  223 2   HOH HOH A . 
L 4 HOH 24  224 258 HOH HOH A . 
L 4 HOH 25  225 52  HOH HOH A . 
L 4 HOH 26  226 28  HOH HOH A . 
L 4 HOH 27  227 92  HOH HOH A . 
L 4 HOH 28  228 360 HOH HOH A . 
L 4 HOH 29  229 4   HOH HOH A . 
L 4 HOH 30  230 262 HOH HOH A . 
L 4 HOH 31  231 3   HOH HOH A . 
L 4 HOH 32  232 103 HOH HOH A . 
L 4 HOH 33  233 166 HOH HOH A . 
L 4 HOH 34  234 163 HOH HOH A . 
L 4 HOH 35  235 23  HOH HOH A . 
L 4 HOH 36  236 31  HOH HOH A . 
L 4 HOH 37  237 35  HOH HOH A . 
L 4 HOH 38  238 14  HOH HOH A . 
L 4 HOH 39  239 40  HOH HOH A . 
L 4 HOH 40  240 122 HOH HOH A . 
L 4 HOH 41  241 352 HOH HOH A . 
L 4 HOH 42  242 69  HOH HOH A . 
L 4 HOH 43  243 161 HOH HOH A . 
L 4 HOH 44  244 233 HOH HOH A . 
L 4 HOH 45  245 236 HOH HOH A . 
L 4 HOH 46  246 88  HOH HOH A . 
L 4 HOH 47  247 147 HOH HOH A . 
L 4 HOH 48  248 42  HOH HOH A . 
L 4 HOH 49  249 335 HOH HOH A . 
L 4 HOH 50  250 56  HOH HOH A . 
L 4 HOH 51  251 54  HOH HOH A . 
L 4 HOH 52  252 174 HOH HOH A . 
L 4 HOH 53  253 85  HOH HOH A . 
L 4 HOH 54  254 343 HOH HOH A . 
L 4 HOH 55  255 21  HOH HOH A . 
L 4 HOH 56  256 136 HOH HOH A . 
L 4 HOH 57  257 214 HOH HOH A . 
L 4 HOH 58  258 22  HOH HOH A . 
L 4 HOH 59  259 137 HOH HOH A . 
L 4 HOH 60  260 240 HOH HOH A . 
L 4 HOH 61  261 268 HOH HOH A . 
L 4 HOH 62  262 63  HOH HOH A . 
L 4 HOH 63  263 78  HOH HOH A . 
L 4 HOH 64  264 232 HOH HOH A . 
L 4 HOH 65  265 120 HOH HOH A . 
L 4 HOH 66  266 33  HOH HOH A . 
L 4 HOH 67  267 26  HOH HOH A . 
L 4 HOH 68  268 133 HOH HOH A . 
L 4 HOH 69  269 16  HOH HOH A . 
L 4 HOH 70  270 159 HOH HOH A . 
L 4 HOH 71  271 299 HOH HOH A . 
L 4 HOH 72  272 13  HOH HOH A . 
L 4 HOH 73  273 118 HOH HOH A . 
L 4 HOH 74  274 128 HOH HOH A . 
L 4 HOH 75  275 36  HOH HOH A . 
L 4 HOH 76  276 60  HOH HOH A . 
L 4 HOH 77  277 180 HOH HOH A . 
L 4 HOH 78  278 115 HOH HOH A . 
L 4 HOH 79  279 261 HOH HOH A . 
L 4 HOH 80  280 337 HOH HOH A . 
L 4 HOH 81  281 329 HOH HOH A . 
L 4 HOH 82  282 368 HOH HOH A . 
L 4 HOH 83  283 361 HOH HOH A . 
L 4 HOH 84  284 226 HOH HOH A . 
L 4 HOH 85  285 321 HOH HOH A . 
L 4 HOH 86  286 114 HOH HOH A . 
L 4 HOH 87  287 146 HOH HOH A . 
L 4 HOH 88  288 141 HOH HOH A . 
L 4 HOH 89  289 248 HOH HOH A . 
L 4 HOH 90  290 298 HOH HOH A . 
L 4 HOH 91  291 6   HOH HOH A . 
L 4 HOH 92  292 165 HOH HOH A . 
L 4 HOH 93  293 283 HOH HOH A . 
L 4 HOH 94  294 219 HOH HOH A . 
L 4 HOH 95  295 332 HOH HOH A . 
L 4 HOH 96  296 111 HOH HOH A . 
L 4 HOH 97  297 290 HOH HOH A . 
L 4 HOH 98  298 363 HOH HOH A . 
L 4 HOH 99  299 246 HOH HOH A . 
L 4 HOH 100 300 193 HOH HOH A . 
L 4 HOH 101 301 157 HOH HOH A . 
L 4 HOH 102 302 254 HOH HOH A . 
L 4 HOH 103 303 96  HOH HOH A . 
L 4 HOH 104 304 247 HOH HOH A . 
L 4 HOH 105 305 284 HOH HOH A . 
L 4 HOH 106 306 366 HOH HOH A . 
L 4 HOH 107 307 160 HOH HOH A . 
L 4 HOH 108 308 256 HOH HOH A . 
L 4 HOH 109 309 285 HOH HOH A . 
L 4 HOH 110 310 151 HOH HOH A . 
L 4 HOH 111 311 304 HOH HOH A . 
L 4 HOH 112 312 320 HOH HOH A . 
L 4 HOH 113 313 230 HOH HOH A . 
L 4 HOH 114 314 131 HOH HOH A . 
L 4 HOH 115 315 280 HOH HOH A . 
L 4 HOH 116 316 196 HOH HOH A . 
L 4 HOH 117 317 67  HOH HOH A . 
L 4 HOH 118 318 222 HOH HOH A . 
L 4 HOH 119 319 84  HOH HOH A . 
L 4 HOH 120 320 156 HOH HOH A . 
L 4 HOH 121 321 38  HOH HOH A . 
L 4 HOH 122 322 253 HOH HOH A . 
L 4 HOH 123 323 342 HOH HOH A . 
L 4 HOH 124 324 306 HOH HOH A . 
L 4 HOH 125 325 255 HOH HOH A . 
L 4 HOH 126 326 217 HOH HOH A . 
L 4 HOH 127 327 95  HOH HOH A . 
L 4 HOH 128 328 245 HOH HOH A . 
L 4 HOH 129 329 183 HOH HOH A . 
L 4 HOH 130 330 305 HOH HOH A . 
L 4 HOH 131 331 223 HOH HOH A . 
L 4 HOH 132 332 200 HOH HOH A . 
L 4 HOH 133 333 140 HOH HOH A . 
L 4 HOH 134 334 338 HOH HOH A . 
L 4 HOH 135 335 334 HOH HOH A . 
M 4 HOH 1   201 162 HOH HOH B . 
M 4 HOH 2   202 51  HOH HOH B . 
M 4 HOH 3   203 330 HOH HOH B . 
M 4 HOH 4   204 310 HOH HOH B . 
M 4 HOH 5   205 20  HOH HOH B . 
M 4 HOH 6   206 139 HOH HOH B . 
M 4 HOH 7   207 101 HOH HOH B . 
M 4 HOH 8   208 19  HOH HOH B . 
M 4 HOH 9   209 121 HOH HOH B . 
M 4 HOH 10  210 347 HOH HOH B . 
M 4 HOH 11  211 58  HOH HOH B . 
M 4 HOH 12  212 105 HOH HOH B . 
M 4 HOH 13  213 362 HOH HOH B . 
M 4 HOH 14  214 25  HOH HOH B . 
M 4 HOH 15  215 221 HOH HOH B . 
M 4 HOH 16  216 66  HOH HOH B . 
M 4 HOH 17  217 218 HOH HOH B . 
M 4 HOH 18  218 123 HOH HOH B . 
M 4 HOH 19  219 12  HOH HOH B . 
M 4 HOH 20  220 185 HOH HOH B . 
M 4 HOH 21  221 75  HOH HOH B . 
M 4 HOH 22  222 91  HOH HOH B . 
M 4 HOH 23  223 37  HOH HOH B . 
M 4 HOH 24  224 39  HOH HOH B . 
M 4 HOH 25  225 213 HOH HOH B . 
M 4 HOH 26  226 279 HOH HOH B . 
M 4 HOH 27  227 198 HOH HOH B . 
M 4 HOH 28  228 108 HOH HOH B . 
M 4 HOH 29  229 1   HOH HOH B . 
M 4 HOH 30  230 303 HOH HOH B . 
M 4 HOH 31  231 143 HOH HOH B . 
M 4 HOH 32  232 281 HOH HOH B . 
M 4 HOH 33  233 34  HOH HOH B . 
M 4 HOH 34  234 317 HOH HOH B . 
M 4 HOH 35  235 203 HOH HOH B . 
M 4 HOH 36  236 252 HOH HOH B . 
M 4 HOH 37  237 167 HOH HOH B . 
M 4 HOH 38  238 90  HOH HOH B . 
M 4 HOH 39  239 364 HOH HOH B . 
M 4 HOH 40  240 178 HOH HOH B . 
M 4 HOH 41  241 189 HOH HOH B . 
M 4 HOH 42  242 71  HOH HOH B . 
M 4 HOH 43  243 339 HOH HOH B . 
M 4 HOH 44  244 275 HOH HOH B . 
M 4 HOH 45  245 112 HOH HOH B . 
M 4 HOH 46  246 119 HOH HOH B . 
M 4 HOH 47  247 45  HOH HOH B . 
M 4 HOH 48  248 220 HOH HOH B . 
M 4 HOH 49  249 177 HOH HOH B . 
M 4 HOH 50  250 227 HOH HOH B . 
M 4 HOH 51  251 229 HOH HOH B . 
M 4 HOH 52  252 292 HOH HOH B . 
M 4 HOH 53  253 41  HOH HOH B . 
M 4 HOH 54  254 124 HOH HOH B . 
M 4 HOH 55  255 194 HOH HOH B . 
M 4 HOH 56  256 102 HOH HOH B . 
M 4 HOH 57  257 323 HOH HOH B . 
M 4 HOH 58  258 62  HOH HOH B . 
M 4 HOH 59  259 74  HOH HOH B . 
M 4 HOH 60  260 263 HOH HOH B . 
M 4 HOH 61  261 328 HOH HOH B . 
M 4 HOH 62  262 249 HOH HOH B . 
M 4 HOH 63  263 142 HOH HOH B . 
M 4 HOH 64  264 172 HOH HOH B . 
M 4 HOH 65  265 153 HOH HOH B . 
M 4 HOH 66  266 138 HOH HOH B . 
M 4 HOH 67  267 10  HOH HOH B . 
M 4 HOH 68  268 216 HOH HOH B . 
M 4 HOH 69  269 195 HOH HOH B . 
M 4 HOH 70  270 260 HOH HOH B . 
M 4 HOH 71  271 65  HOH HOH B . 
M 4 HOH 72  272 98  HOH HOH B . 
M 4 HOH 73  273 169 HOH HOH B . 
M 4 HOH 74  274 94  HOH HOH B . 
M 4 HOH 75  275 44  HOH HOH B . 
M 4 HOH 76  276 208 HOH HOH B . 
M 4 HOH 77  277 243 HOH HOH B . 
M 4 HOH 78  278 212 HOH HOH B . 
M 4 HOH 79  279 81  HOH HOH B . 
M 4 HOH 80  280 184 HOH HOH B . 
M 4 HOH 81  281 168 HOH HOH B . 
M 4 HOH 82  282 286 HOH HOH B . 
M 4 HOH 83  283 294 HOH HOH B . 
M 4 HOH 84  284 228 HOH HOH B . 
M 4 HOH 85  285 202 HOH HOH B . 
M 4 HOH 86  286 79  HOH HOH B . 
M 4 HOH 87  287 242 HOH HOH B . 
M 4 HOH 88  288 134 HOH HOH B . 
M 4 HOH 89  289 15  HOH HOH B . 
M 4 HOH 90  290 234 HOH HOH B . 
M 4 HOH 91  291 369 HOH HOH B . 
M 4 HOH 92  292 267 HOH HOH B . 
M 4 HOH 93  293 49  HOH HOH B . 
M 4 HOH 94  294 313 HOH HOH B . 
M 4 HOH 95  295 117 HOH HOH B . 
M 4 HOH 96  296 312 HOH HOH B . 
M 4 HOH 97  297 340 HOH HOH B . 
M 4 HOH 98  298 266 HOH HOH B . 
M 4 HOH 99  299 179 HOH HOH B . 
M 4 HOH 100 300 273 HOH HOH B . 
M 4 HOH 101 301 99  HOH HOH B . 
M 4 HOH 102 302 244 HOH HOH B . 
M 4 HOH 103 303 150 HOH HOH B . 
M 4 HOH 104 304 164 HOH HOH B . 
M 4 HOH 105 305 355 HOH HOH B . 
M 4 HOH 106 306 326 HOH HOH B . 
M 4 HOH 107 307 265 HOH HOH B . 
M 4 HOH 108 308 181 HOH HOH B . 
M 4 HOH 109 309 201 HOH HOH B . 
M 4 HOH 110 310 345 HOH HOH B . 
M 4 HOH 111 311 308 HOH HOH B . 
N 4 HOH 1   201 126 HOH HOH C . 
N 4 HOH 2   202 80  HOH HOH C . 
N 4 HOH 3   203 97  HOH HOH C . 
N 4 HOH 4   204 271 HOH HOH C . 
N 4 HOH 5   205 235 HOH HOH C . 
N 4 HOH 6   206 9   HOH HOH C . 
N 4 HOH 7   207 206 HOH HOH C . 
N 4 HOH 8   208 224 HOH HOH C . 
N 4 HOH 9   209 93  HOH HOH C . 
N 4 HOH 10  210 173 HOH HOH C . 
N 4 HOH 11  211 8   HOH HOH C . 
N 4 HOH 12  212 251 HOH HOH C . 
N 4 HOH 13  213 55  HOH HOH C . 
N 4 HOH 14  214 32  HOH HOH C . 
N 4 HOH 15  215 17  HOH HOH C . 
N 4 HOH 16  216 238 HOH HOH C . 
N 4 HOH 17  217 107 HOH HOH C . 
N 4 HOH 18  218 149 HOH HOH C . 
N 4 HOH 19  219 68  HOH HOH C . 
N 4 HOH 20  220 110 HOH HOH C . 
N 4 HOH 21  221 207 HOH HOH C . 
N 4 HOH 22  222 29  HOH HOH C . 
N 4 HOH 23  223 59  HOH HOH C . 
N 4 HOH 24  224 18  HOH HOH C . 
N 4 HOH 25  225 158 HOH HOH C . 
N 4 HOH 26  226 269 HOH HOH C . 
N 4 HOH 27  227 61  HOH HOH C . 
N 4 HOH 28  228 7   HOH HOH C . 
N 4 HOH 29  229 57  HOH HOH C . 
N 4 HOH 30  230 241 HOH HOH C . 
N 4 HOH 31  231 274 HOH HOH C . 
N 4 HOH 32  232 231 HOH HOH C . 
N 4 HOH 33  233 72  HOH HOH C . 
N 4 HOH 34  234 73  HOH HOH C . 
N 4 HOH 35  235 187 HOH HOH C . 
N 4 HOH 36  236 48  HOH HOH C . 
N 4 HOH 37  237 278 HOH HOH C . 
N 4 HOH 38  238 295 HOH HOH C . 
N 4 HOH 39  239 155 HOH HOH C . 
N 4 HOH 40  240 30  HOH HOH C . 
N 4 HOH 41  241 358 HOH HOH C . 
N 4 HOH 42  242 365 HOH HOH C . 
N 4 HOH 43  243 106 HOH HOH C . 
N 4 HOH 44  244 199 HOH HOH C . 
N 4 HOH 45  245 11  HOH HOH C . 
N 4 HOH 46  246 367 HOH HOH C . 
N 4 HOH 47  247 135 HOH HOH C . 
N 4 HOH 48  248 50  HOH HOH C . 
N 4 HOH 49  249 43  HOH HOH C . 
N 4 HOH 50  250 291 HOH HOH C . 
N 4 HOH 51  251 204 HOH HOH C . 
N 4 HOH 52  252 127 HOH HOH C . 
N 4 HOH 53  253 77  HOH HOH C . 
N 4 HOH 54  254 270 HOH HOH C . 
N 4 HOH 55  255 148 HOH HOH C . 
N 4 HOH 56  256 64  HOH HOH C . 
N 4 HOH 57  257 170 HOH HOH C . 
N 4 HOH 58  258 53  HOH HOH C . 
N 4 HOH 59  259 296 HOH HOH C . 
N 4 HOH 60  260 47  HOH HOH C . 
N 4 HOH 61  261 129 HOH HOH C . 
N 4 HOH 62  262 46  HOH HOH C . 
N 4 HOH 63  263 152 HOH HOH C . 
N 4 HOH 64  264 264 HOH HOH C . 
N 4 HOH 65  265 125 HOH HOH C . 
N 4 HOH 66  266 309 HOH HOH C . 
N 4 HOH 67  267 171 HOH HOH C . 
N 4 HOH 68  268 288 HOH HOH C . 
N 4 HOH 69  269 76  HOH HOH C . 
N 4 HOH 70  270 104 HOH HOH C . 
N 4 HOH 71  271 144 HOH HOH C . 
N 4 HOH 72  272 237 HOH HOH C . 
N 4 HOH 73  273 311 HOH HOH C . 
N 4 HOH 74  274 359 HOH HOH C . 
N 4 HOH 75  275 27  HOH HOH C . 
N 4 HOH 76  276 210 HOH HOH C . 
N 4 HOH 77  277 272 HOH HOH C . 
N 4 HOH 78  278 318 HOH HOH C . 
N 4 HOH 79  279 346 HOH HOH C . 
N 4 HOH 80  280 209 HOH HOH C . 
N 4 HOH 81  281 205 HOH HOH C . 
N 4 HOH 82  282 300 HOH HOH C . 
N 4 HOH 83  283 87  HOH HOH C . 
N 4 HOH 84  284 276 HOH HOH C . 
N 4 HOH 85  285 319 HOH HOH C . 
N 4 HOH 86  286 322 HOH HOH C . 
N 4 HOH 87  287 307 HOH HOH C . 
N 4 HOH 88  288 314 HOH HOH C . 
N 4 HOH 89  289 257 HOH HOH C . 
N 4 HOH 90  290 325 HOH HOH C . 
N 4 HOH 91  291 333 HOH HOH C . 
N 4 HOH 92  292 350 HOH HOH C . 
N 4 HOH 93  293 192 HOH HOH C . 
N 4 HOH 94  294 315 HOH HOH C . 
N 4 HOH 95  295 211 HOH HOH C . 
N 4 HOH 96  296 239 HOH HOH C . 
N 4 HOH 97  297 175 HOH HOH C . 
N 4 HOH 98  298 130 HOH HOH C . 
N 4 HOH 99  299 191 HOH HOH C . 
N 4 HOH 100 300 324 HOH HOH C . 
# 
loop_
_software.citation_id 
_software.classification 
_software.compiler_name 
_software.compiler_version 
_software.contact_author 
_software.contact_author_email 
_software.date 
_software.description 
_software.dependencies 
_software.hardware 
_software.language 
_software.location 
_software.mods 
_software.name 
_software.os 
_software.os_version 
_software.type 
_software.version 
_software.pdbx_ordinal 
? refinement       ? ? ? ? ? ? ? ? ? ? ? PHENIX  ? ? ? 1.21.1_5286 1 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? XDS     ? ? ? .           2 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? Aimless ? ? ? .           3 
? phasing          ? ? ? ? ? ? ? ? ? ? ? PHASER  ? ? ? .           4 
# 
_cell.angle_alpha                  90.000 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   119.468 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  90.000 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     9GR3 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     43.678 
_cell.length_a_esd                 ? 
_cell.length_b                     74.046 
_cell.length_b_esd                 ? 
_cell.length_c                     43.857 
_cell.length_c_esd                 ? 
_cell.volume                       123491.534 
_cell.volume_esd                   ? 
_cell.Z_PDB                        6 
_cell.reciprocal_angle_alpha       ? 
_cell.reciprocal_angle_beta        ? 
_cell.reciprocal_angle_gamma       ? 
_cell.reciprocal_angle_alpha_esd   ? 
_cell.reciprocal_angle_beta_esd    ? 
_cell.reciprocal_angle_gamma_esd   ? 
_cell.reciprocal_length_a          ? 
_cell.reciprocal_length_b          ? 
_cell.reciprocal_length_c          ? 
_cell.reciprocal_length_a_esd      ? 
_cell.reciprocal_length_b_esd      ? 
_cell.reciprocal_length_c_esd      ? 
_cell.pdbx_unique_axis             ? 
_cell.pdbx_esd_method              ? 
# 
_symmetry.entry_id                         9GR3 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                4 
_symmetry.space_group_name_Hall            'P 2yb' 
_symmetry.space_group_name_H-M             'P 1 21 1' 
_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                   9GR3 
_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          38 
_exptl_crystal.description                  ? 
_exptl_crystal.F_000                        ? 
_exptl_crystal.id                           1 
_exptl_crystal.preparation                  ? 
_exptl_crystal.size_max                     ? 
_exptl_crystal.size_mid                     ? 
_exptl_crystal.size_min                     ? 
_exptl_crystal.size_rad                     ? 
_exptl_crystal.colour_lustre                ? 
_exptl_crystal.colour_modifier              ? 
_exptl_crystal.colour_primary               ? 
_exptl_crystal.density_meas                 ? 
_exptl_crystal.density_meas_esd             ? 
_exptl_crystal.density_meas_gt              ? 
_exptl_crystal.density_meas_lt              ? 
_exptl_crystal.density_meas_temp            ? 
_exptl_crystal.density_meas_temp_esd        ? 
_exptl_crystal.density_meas_temp_gt         ? 
_exptl_crystal.density_meas_temp_lt         ? 
_exptl_crystal.pdbx_crystal_image_url       ? 
_exptl_crystal.pdbx_crystal_image_format    ? 
_exptl_crystal.pdbx_mosaicity               ? 
_exptl_crystal.pdbx_mosaicity_esd           ? 
_exptl_crystal.pdbx_mosaic_method           ? 
_exptl_crystal.pdbx_mosaic_block_size       ? 
_exptl_crystal.pdbx_mosaic_block_size_esd   ? 
# 
_exptl_crystal_grow.apparatus       ? 
_exptl_crystal_grow.atmosphere      ? 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.details         ? 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, SITTING DROP' 
_exptl_crystal_grow.method_ref      ? 
_exptl_crystal_grow.pH              4.5 
_exptl_crystal_grow.pressure        ? 
_exptl_crystal_grow.pressure_esd    ? 
_exptl_crystal_grow.seeding         ? 
_exptl_crystal_grow.seeding_ref     ? 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.temp_esd        ? 
_exptl_crystal_grow.time            ? 
_exptl_crystal_grow.pdbx_details    '1 M di-ammonium hydrogen phosphate, 0.1M sodium acetate pH 4.5' 
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            293 
# 
_diffrn.ambient_environment              ? 
_diffrn.ambient_temp                     100 
_diffrn.ambient_temp_details             ? 
_diffrn.ambient_temp_esd                 ? 
_diffrn.crystal_id                       1 
_diffrn.crystal_support                  ? 
_diffrn.crystal_treatment                ? 
_diffrn.details                          ? 
_diffrn.id                               1 
_diffrn.ambient_pressure                 ? 
_diffrn.ambient_pressure_esd             ? 
_diffrn.ambient_pressure_gt              ? 
_diffrn.ambient_pressure_lt              ? 
_diffrn.ambient_temp_gt                  ? 
_diffrn.ambient_temp_lt                  ? 
_diffrn.pdbx_serial_crystal_experiment   N 
# 
_diffrn_detector.details                      ? 
_diffrn_detector.detector                     PIXEL 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         'DECTRIS EIGER X 9M' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2022-07-09 
_diffrn_detector.pdbx_frequency               ? 
_diffrn_detector.id                           ? 
_diffrn_detector.number_of_axes               ? 
# 
_diffrn_radiation.collimation                      ? 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.filter_edge                      ? 
_diffrn_radiation.inhomogeneity                    ? 
_diffrn_radiation.monochromator                    M 
_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   0.980 
_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                        'SOLEIL BEAMLINE PROXIMA 2' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        0.980 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   'PROXIMA 2' 
_diffrn_source.pdbx_synchrotron_site       SOLEIL 
# 
_reflns.B_iso_Wilson_estimate                          12.16 
_reflns.entry_id                                       9GR3 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.19 
_reflns.d_resolution_low                               38.18 
_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                                     75076 
_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                           96.9 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                6.1 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          13.2 
_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                                0.074 
_reflns.pdbx_Rpim_I_all                                0.029 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       ? 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   0.998 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              0.067 
_reflns.pdbx_Rmerge_I_all                              ? 
_reflns.pdbx_Rsym_value                                ? 
_reflns.pdbx_CC_split_method                           ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_1                 ? 
_reflns.pdbx_aniso_diffraction_limit_2                 ? 
_reflns.pdbx_aniso_diffraction_limit_3                 ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_1               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_2               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_3               ? 
_reflns.pdbx_orthogonalization_convention              ? 
_reflns.pdbx_percent_possible_ellipsoidal              ? 
_reflns.pdbx_percent_possible_spherical                ? 
_reflns.pdbx_percent_possible_ellipsoidal_anomalous    ? 
_reflns.pdbx_percent_possible_spherical_anomalous      ? 
_reflns.pdbx_redundancy_anomalous                      ? 
_reflns.pdbx_CC_half_anomalous                         ? 
_reflns.pdbx_absDiff_over_sigma_anomalous              ? 
_reflns.pdbx_percent_possible_anomalous                ? 
_reflns.pdbx_observed_signal_threshold                 ? 
_reflns.pdbx_signal_type                               ? 
_reflns.pdbx_signal_details                            ? 
_reflns.pdbx_signal_software_id                        ? 
# 
_reflns_shell.d_res_high                                    1.19 
_reflns_shell.d_res_low                                     1.21 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           2.1 
_reflns_shell.number_measured_all                           ? 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             3155 
_reflns_shell.percent_possible_obs                          ? 
_reflns_shell.Rmerge_F_all                                  ? 
_reflns_shell.Rmerge_F_obs                                  ? 
_reflns_shell.meanI_over_sigI_gt                            ? 
_reflns_shell.meanI_over_uI_all                             ? 
_reflns_shell.meanI_over_uI_gt                              ? 
_reflns_shell.number_measured_gt                            ? 
_reflns_shell.number_unique_gt                              ? 
_reflns_shell.percent_possible_gt                           ? 
_reflns_shell.Rmerge_F_gt                                   ? 
_reflns_shell.Rmerge_I_gt                                   ? 
_reflns_shell.pdbx_redundancy                               ? 
_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                               0.791 
_reflns_shell.pdbx_Rpim_I_all                               0.373 
_reflns_shell.pdbx_rejects                                  ? 
_reflns_shell.pdbx_ordinal                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  0.648 
_reflns_shell.pdbx_CC_star                                  ? 
_reflns_shell.pdbx_R_split                                  ? 
_reflns_shell.percent_possible_all                          ? 
_reflns_shell.Rmerge_I_all                                  ? 
_reflns_shell.Rmerge_I_obs                                  0.690 
_reflns_shell.pdbx_Rsym_value                               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal             ? 
_reflns_shell.pdbx_percent_possible_spherical               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal_anomalous   ? 
_reflns_shell.pdbx_percent_possible_spherical_anomalous     ? 
_reflns_shell.pdbx_redundancy_anomalous                     ? 
_reflns_shell.pdbx_CC_half_anomalous                        ? 
_reflns_shell.pdbx_absDiff_over_sigma_anomalous             ? 
_reflns_shell.pdbx_percent_possible_anomalous               ? 
# 
_refine.aniso_B[1][1]                            ? 
_refine.aniso_B[1][2]                            ? 
_refine.aniso_B[1][3]                            ? 
_refine.aniso_B[2][2]                            ? 
_refine.aniso_B[2][3]                            ? 
_refine.aniso_B[3][3]                            ? 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               17.51 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               ? 
_refine.correlation_coeff_Fo_to_Fc_free          ? 
_refine.details                                  ? 
_refine.diff_density_max                         ? 
_refine.diff_density_max_esd                     ? 
_refine.diff_density_min                         ? 
_refine.diff_density_min_esd                     ? 
_refine.diff_density_rms                         ? 
_refine.diff_density_rms_esd                     ? 
_refine.entry_id                                 9GR3 
_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                            1.19 
_refine.ls_d_res_low                             38.18 
_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                     75044 
_refine.ls_number_reflns_R_free                  3574 
_refine.ls_number_reflns_R_work                  71470 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    96.84 
_refine.ls_percent_reflns_R_free                 4.76 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.1792 
_refine.ls_R_factor_R_free                       0.1997 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.1782 
_refine.ls_R_Fsqd_factor_obs                     ? 
_refine.ls_R_I_factor_obs                        ? 
_refine.ls_redundancy_reflns_all                 ? 
_refine.ls_redundancy_reflns_obs                 ? 
_refine.ls_restrained_S_all                      ? 
_refine.ls_restrained_S_obs                      ? 
_refine.ls_shift_over_esd_max                    ? 
_refine.ls_shift_over_esd_mean                   ? 
_refine.ls_structure_factor_coef                 ? 
_refine.ls_weighting_details                     ? 
_refine.ls_weighting_scheme                      ? 
_refine.ls_wR_factor_all                         ? 
_refine.ls_wR_factor_obs                         ? 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_wR_factor_R_work                      ? 
_refine.occupancy_max                            ? 
_refine.occupancy_min                            ? 
_refine.solvent_model_details                    'FLAT BULK SOLVENT MODEL' 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_R_complete                          ? 
_refine.ls_R_factor_gt                           ? 
_refine.ls_goodness_of_fit_gt                    ? 
_refine.ls_goodness_of_fit_ref                   ? 
_refine.ls_shift_over_su_max                     ? 
_refine.ls_shift_over_su_max_lt                  ? 
_refine.ls_shift_over_su_mean                    ? 
_refine.ls_shift_over_su_mean_lt                 ? 
_refine.pdbx_ls_sigma_I                          ? 
_refine.pdbx_ls_sigma_F                          1.38 
_refine.pdbx_ls_sigma_Fsqd                       ? 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.pdbx_ls_cross_valid_method               'FREE R-VALUE' 
_refine.pdbx_method_to_determine_struct          'MOLECULAR REPLACEMENT' 
_refine.pdbx_starting_model                      ? 
_refine.pdbx_stereochemistry_target_values       'GeoStd + Monomer Library + CDL v1.2' 
_refine.pdbx_R_Free_selection_details            ? 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_overall_ESU_R                       ? 
_refine.pdbx_overall_ESU_R_Free                  ? 
_refine.pdbx_solvent_vdw_probe_radii             1.1000 
_refine.pdbx_solvent_ion_probe_radii             ? 
_refine.pdbx_solvent_shrinkage_radii             0.9000 
_refine.pdbx_real_space_R                        ? 
_refine.pdbx_density_correlation                 ? 
_refine.pdbx_pd_number_of_powder_patterns        ? 
_refine.pdbx_pd_number_of_points                 ? 
_refine.pdbx_pd_meas_number_of_points            ? 
_refine.pdbx_pd_proc_ls_prof_R_factor            ? 
_refine.pdbx_pd_proc_ls_prof_wR_factor           ? 
_refine.pdbx_pd_Marquardt_correlation_coeff      ? 
_refine.pdbx_pd_Fsqrd_R_factor                   ? 
_refine.pdbx_pd_ls_matrix_band_width             ? 
_refine.pdbx_overall_phase_error                 20.7257 
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI   ? 
_refine.pdbx_overall_SU_R_free_Blow_DPI          ? 
_refine.pdbx_overall_SU_R_Blow_DPI               ? 
_refine.pdbx_TLS_residual_ADP_flag               ? 
_refine.pdbx_diffrn_id                           1 
_refine.overall_SU_B                             ? 
_refine.overall_SU_ML                            0.1036 
_refine.overall_SU_R_Cruickshank_DPI             ? 
_refine.overall_SU_R_free                        ? 
_refine.overall_FOM_free_R_set                   ? 
_refine.overall_FOM_work_R_set                   ? 
_refine.pdbx_average_fsc_overall                 ? 
_refine.pdbx_average_fsc_work                    ? 
_refine.pdbx_average_fsc_free                    ? 
# 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.cycle_id                         LAST 
_refine_hist.details                          ? 
_refine_hist.d_res_high                       1.19 
_refine_hist.d_res_low                        38.18 
_refine_hist.number_atoms_solvent             346 
_refine_hist.number_atoms_total               2591 
_refine_hist.number_reflns_all                ? 
_refine_hist.number_reflns_obs                ? 
_refine_hist.number_reflns_R_free             ? 
_refine_hist.number_reflns_R_work             ? 
_refine_hist.R_factor_all                     ? 
_refine_hist.R_factor_obs                     ? 
_refine_hist.R_factor_R_free                  ? 
_refine_hist.R_factor_R_work                  ? 
_refine_hist.pdbx_number_residues_total       ? 
_refine_hist.pdbx_B_iso_mean_ligand           ? 
_refine_hist.pdbx_B_iso_mean_solvent          ? 
_refine_hist.pdbx_number_atoms_protein        2077 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         168 
_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' ? 0.0042  ? 2326 ? f_bond_d           ? ? 
'X-RAY DIFFRACTION' ? 0.7728  ? 3228 ? f_angle_d          ? ? 
'X-RAY DIFFRACTION' ? 0.0729  ? 344  ? f_chiral_restr     ? ? 
'X-RAY DIFFRACTION' ? 0.0067  ? 372  ? f_plane_restr      ? ? 
'X-RAY DIFFRACTION' ? 10.4915 ? 803  ? f_dihedral_angle_d ? ? 
# 
loop_
_refine_ls_shell.pdbx_refine_id 
_refine_ls_shell.d_res_high 
_refine_ls_shell.d_res_low 
_refine_ls_shell.number_reflns_all 
_refine_ls_shell.number_reflns_obs 
_refine_ls_shell.number_reflns_R_free 
_refine_ls_shell.number_reflns_R_work 
_refine_ls_shell.percent_reflns_obs 
_refine_ls_shell.percent_reflns_R_free 
_refine_ls_shell.R_factor_all 
_refine_ls_shell.R_factor_obs 
_refine_ls_shell.R_factor_R_free_error 
_refine_ls_shell.R_factor_R_work 
_refine_ls_shell.redundancy_reflns_all 
_refine_ls_shell.redundancy_reflns_obs 
_refine_ls_shell.wR_factor_all 
_refine_ls_shell.wR_factor_obs 
_refine_ls_shell.wR_factor_R_free 
_refine_ls_shell.wR_factor_R_work 
_refine_ls_shell.pdbx_R_complete 
_refine_ls_shell.pdbx_total_number_of_bins_used 
_refine_ls_shell.pdbx_phase_error 
_refine_ls_shell.pdbx_fsc_work 
_refine_ls_shell.pdbx_fsc_free 
_refine_ls_shell.R_factor_R_free 
'X-RAY DIFFRACTION' 1.19 1.21  . . 116 2242 79.82 . . . . 0.2768 . . . . . . . . . . . 0.3198 
'X-RAY DIFFRACTION' 1.21 1.22  . . 108 2577 89.44 . . . . 0.2494 . . . . . . . . . . . 0.2638 
'X-RAY DIFFRACTION' 1.22 1.24  . . 119 2629 94.17 . . . . 0.2415 . . . . . . . . . . . 0.2364 
'X-RAY DIFFRACTION' 1.24 1.26  . . 125 2760 95.62 . . . . 0.2308 . . . . . . . . . . . 0.2472 
'X-RAY DIFFRACTION' 1.26 1.28  . . 132 2713 96.41 . . . . 0.2242 . . . . . . . . . . . 0.2488 
'X-RAY DIFFRACTION' 1.28 1.30  . . 146 2719 96.40 . . . . 0.2116 . . . . . . . . . . . 0.2571 
'X-RAY DIFFRACTION' 1.30 1.32  . . 143 2749 96.69 . . . . 0.2031 . . . . . . . . . . . 0.2282 
'X-RAY DIFFRACTION' 1.32 1.35  . . 141 2730 97.06 . . . . 0.2033 . . . . . . . . . . . 0.2357 
'X-RAY DIFFRACTION' 1.35 1.37  . . 107 2776 96.91 . . . . 0.1989 . . . . . . . . . . . 0.2127 
'X-RAY DIFFRACTION' 1.37 1.40  . . 182 2687 97.35 . . . . 0.1966 . . . . . . . . . . . 0.2195 
'X-RAY DIFFRACTION' 1.40 1.43  . . 132 2787 97.43 . . . . 0.1891 . . . . . . . . . . . 0.1990 
'X-RAY DIFFRACTION' 1.43 1.46  . . 164 2751 97.49 . . . . 0.1848 . . . . . . . . . . . 0.2193 
'X-RAY DIFFRACTION' 1.46 1.50  . . 155 2728 97.66 . . . . 0.1815 . . . . . . . . . . . 0.1969 
'X-RAY DIFFRACTION' 1.50 1.54  . . 159 2754 98.15 . . . . 0.1765 . . . . . . . . . . . 0.1889 
'X-RAY DIFFRACTION' 1.54 1.59  . . 138 2777 97.82 . . . . 0.1718 . . . . . . . . . . . 0.1872 
'X-RAY DIFFRACTION' 1.59 1.64  . . 97  2841 98.39 . . . . 0.1712 . . . . . . . . . . . 0.1817 
'X-RAY DIFFRACTION' 1.64 1.70  . . 134 2806 98.53 . . . . 0.1647 . . . . . . . . . . . 0.2021 
'X-RAY DIFFRACTION' 1.70 1.76  . . 101 2834 98.66 . . . . 0.1693 . . . . . . . . . . . 0.2065 
'X-RAY DIFFRACTION' 1.76 1.84  . . 144 2795 98.92 . . . . 0.1731 . . . . . . . . . . . 0.1840 
'X-RAY DIFFRACTION' 1.84 1.94  . . 122 2836 99.00 . . . . 0.1668 . . . . . . . . . . . 0.1939 
'X-RAY DIFFRACTION' 1.94 2.06  . . 121 2835 99.39 . . . . 0.1739 . . . . . . . . . . . 0.1659 
'X-RAY DIFFRACTION' 2.06 2.22  . . 144 2831 99.43 . . . . 0.1729 . . . . . . . . . . . 0.1774 
'X-RAY DIFFRACTION' 2.22 2.45  . . 200 2787 99.37 . . . . 0.1743 . . . . . . . . . . . 0.1973 
'X-RAY DIFFRACTION' 2.45 2.80  . . 110 2856 99.63 . . . . 0.1825 . . . . . . . . . . . 0.2037 
'X-RAY DIFFRACTION' 2.80 3.53  . . 182 2824 99.83 . . . . 0.1657 . . . . . . . . . . . 0.1926 
'X-RAY DIFFRACTION' 3.53 38.18 . . 152 2846 98.13 . . . . 0.1687 . . . . . . . . . . . 0.2018 
# 
_struct.entry_id                     9GR3 
_struct.title                        'The MK-RSL - sulfonato-calix[4]arene complex' 
_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        9GR3 
_struct_keywords.text            'Beta-propeller, lectin, trimer, SUGAR BINDING PROTEIN' 
_struct_keywords.pdbx_keywords   'SUGAR BINDING 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 1 ? 
D N N 2 ? 
E N N 3 ? 
F N N 3 ? 
G N N 2 ? 
H N N 3 ? 
I N N 3 ? 
J N N 3 ? 
K N N 3 ? 
L N N 4 ? 
M N N 4 ? 
N N N 4 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    A0A0S4TLR1_RALSL 
_struct_ref.pdbx_db_accession          A0A0S4TLR1 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;MSSVQTAATSWGTVPSIRVYTANNGKITERCWDGKGWYTGAFNEPGDNVSVTSWLVGSAIHIRVYASTGTTTTEWCWDGN
GWTKGAYTATN
;
_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 9GR3 A 1 ? 91 ? A0A0S4TLR1 1 ? 91 ? 0 90 
2 1 9GR3 B 1 ? 91 ? A0A0S4TLR1 1 ? 91 ? 0 90 
3 1 9GR3 C 1 ? 91 ? A0A0S4TLR1 1 ? 91 ? 0 90 
# 
loop_
_struct_ref_seq_dif.align_id 
_struct_ref_seq_dif.pdbx_pdb_id_code 
_struct_ref_seq_dif.mon_id 
_struct_ref_seq_dif.pdbx_pdb_strand_id 
_struct_ref_seq_dif.seq_num 
_struct_ref_seq_dif.pdbx_pdb_ins_code 
_struct_ref_seq_dif.pdbx_seq_db_name 
_struct_ref_seq_dif.pdbx_seq_db_accession_code 
_struct_ref_seq_dif.db_mon_id 
_struct_ref_seq_dif.pdbx_seq_db_seq_num 
_struct_ref_seq_dif.details 
_struct_ref_seq_dif.pdbx_auth_seq_num 
_struct_ref_seq_dif.pdbx_ordinal 
1 9GR3 LYS A 2 ? UNP A0A0S4TLR1 SER 2 'engineered mutation' 1 1 
2 9GR3 LYS B 2 ? UNP A0A0S4TLR1 SER 2 'engineered mutation' 1 2 
3 9GR3 LYS C 2 ? UNP A0A0S4TLR1 SER 2 'engineered mutation' 1 3 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_defined_assembly 
_pdbx_struct_assembly.method_details       ? 
_pdbx_struct_assembly.oligomeric_details   trimeric 
_pdbx_struct_assembly.oligomeric_count     3 
# 
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)' 6780  ? 
1 MORE         -18   ? 
1 'SSA (A^2)'  12710 ? 
# 
_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,F,G,H,I,J,K,L,M,N 
# 
_pdbx_struct_assembly_auth_evidence.id                     1 
_pdbx_struct_assembly_auth_evidence.assembly_id            1 
_pdbx_struct_assembly_auth_evidence.experimental_support   none 
_pdbx_struct_assembly_auth_evidence.details                ? 
# 
_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_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 VAL 14 A . ? VAL 13 A PRO 15 A ? PRO 14 A 1 -7.10 
2 VAL 14 B . ? VAL 13 B PRO 15 B ? PRO 14 B 1 -6.10 
3 VAL 14 C . ? VAL 13 C PRO 15 C ? PRO 14 C 1 -6.96 
# 
loop_
_struct_sheet.id 
_struct_sheet.type 
_struct_sheet.number_strands 
_struct_sheet.details 
AA1 ? 4 ? 
AA2 ? 4 ? 
AA3 ? 4 ? 
AA4 ? 4 ? 
AA5 ? 4 ? 
AA6 ? 4 ? 
# 
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 ? anti-parallel 
AA2 1 2 ? anti-parallel 
AA2 2 3 ? anti-parallel 
AA2 3 4 ? anti-parallel 
AA3 1 2 ? anti-parallel 
AA3 2 3 ? anti-parallel 
AA3 3 4 ? anti-parallel 
AA4 1 2 ? anti-parallel 
AA4 2 3 ? anti-parallel 
AA4 3 4 ? anti-parallel 
AA5 1 2 ? anti-parallel 
AA5 2 3 ? anti-parallel 
AA5 3 4 ? anti-parallel 
AA6 1 2 ? anti-parallel 
AA6 2 3 ? anti-parallel 
AA6 3 4 ? anti-parallel 
# 
loop_
_struct_sheet_range.sheet_id 
_struct_sheet_range.id 
_struct_sheet_range.beg_label_comp_id 
_struct_sheet_range.beg_label_asym_id 
_struct_sheet_range.beg_label_seq_id 
_struct_sheet_range.pdbx_beg_PDB_ins_code 
_struct_sheet_range.end_label_comp_id 
_struct_sheet_range.end_label_asym_id 
_struct_sheet_range.end_label_seq_id 
_struct_sheet_range.pdbx_end_PDB_ins_code 
_struct_sheet_range.beg_auth_comp_id 
_struct_sheet_range.beg_auth_asym_id 
_struct_sheet_range.beg_auth_seq_id 
_struct_sheet_range.end_auth_comp_id 
_struct_sheet_range.end_auth_asym_id 
_struct_sheet_range.end_auth_seq_id 
AA1 1 GLN A 5  ? TRP A 11 ? GLN A 4  TRP A 10 
AA1 2 SER A 16 ? ASN A 23 ? SER A 15 ASN A 22 
AA1 3 LYS A 26 ? TRP A 32 ? LYS A 25 TRP A 31 
AA1 4 TRP A 37 ? PRO A 45 ? TRP A 36 PRO A 44 
AA2 1 ASN A 48 ? VAL A 56 ? ASN A 47 VAL A 55 
AA2 2 ALA A 59 ? THR A 68 ? ALA A 58 THR A 67 
AA2 3 THR A 71 ? TRP A 77 ? THR A 70 TRP A 76 
AA2 4 TRP A 82 ? LYS A 84 ? TRP A 81 LYS A 83 
AA3 1 GLN B 5  ? TRP B 11 ? GLN B 4  TRP B 10 
AA3 2 SER B 16 ? ASN B 23 ? SER B 15 ASN B 22 
AA3 3 LYS B 26 ? TRP B 32 ? LYS B 25 TRP B 31 
AA3 4 TRP B 37 ? PRO B 45 ? TRP B 36 PRO B 44 
AA4 1 ASN B 48 ? VAL B 56 ? ASN B 47 VAL B 55 
AA4 2 ALA B 59 ? THR B 68 ? ALA B 58 THR B 67 
AA4 3 THR B 71 ? TRP B 77 ? THR B 70 TRP B 76 
AA4 4 TRP B 82 ? LYS B 84 ? TRP B 81 LYS B 83 
AA5 1 GLN C 5  ? TRP C 11 ? GLN C 4  TRP C 10 
AA5 2 SER C 16 ? ASN C 23 ? SER C 15 ASN C 22 
AA5 3 LYS C 26 ? TRP C 32 ? LYS C 25 TRP C 31 
AA5 4 TRP C 37 ? PRO C 45 ? TRP C 36 PRO C 44 
AA6 1 ASN C 48 ? VAL C 56 ? ASN C 47 VAL C 55 
AA6 2 ALA C 59 ? THR C 68 ? ALA C 58 THR C 67 
AA6 3 THR C 71 ? TRP C 77 ? THR C 70 TRP C 76 
AA6 4 TRP C 82 ? LYS C 84 ? TRP C 81 LYS C 83 
# 
loop_
_pdbx_struct_sheet_hbond.sheet_id 
_pdbx_struct_sheet_hbond.range_id_1 
_pdbx_struct_sheet_hbond.range_id_2 
_pdbx_struct_sheet_hbond.range_1_label_atom_id 
_pdbx_struct_sheet_hbond.range_1_label_comp_id 
_pdbx_struct_sheet_hbond.range_1_label_asym_id 
_pdbx_struct_sheet_hbond.range_1_label_seq_id 
_pdbx_struct_sheet_hbond.range_1_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_1_auth_atom_id 
_pdbx_struct_sheet_hbond.range_1_auth_comp_id 
_pdbx_struct_sheet_hbond.range_1_auth_asym_id 
_pdbx_struct_sheet_hbond.range_1_auth_seq_id 
_pdbx_struct_sheet_hbond.range_2_label_atom_id 
_pdbx_struct_sheet_hbond.range_2_label_comp_id 
_pdbx_struct_sheet_hbond.range_2_label_asym_id 
_pdbx_struct_sheet_hbond.range_2_label_seq_id 
_pdbx_struct_sheet_hbond.range_2_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_2_auth_atom_id 
_pdbx_struct_sheet_hbond.range_2_auth_comp_id 
_pdbx_struct_sheet_hbond.range_2_auth_asym_id 
_pdbx_struct_sheet_hbond.range_2_auth_seq_id 
AA1 1 2 N GLN A 5  ? N GLN A 4  O ALA A 22 ? O ALA A 21 
AA1 2 3 N ASN A 23 ? N ASN A 22 O LYS A 26 ? O LYS A 25 
AA1 3 4 N CYS A 31 ? N CYS A 30 O TYR A 38 ? O TYR A 37 
AA2 1 2 N THR A 52 ? N THR A 51 O ARG A 63 ? O ARG A 62 
AA2 2 3 N ALA A 66 ? N ALA A 65 O THR A 73 ? O THR A 72 
AA2 3 4 N CYS A 76 ? N CYS A 75 O THR A 83 ? O THR A 82 
AA3 1 2 N GLN B 5  ? N GLN B 4  O ALA B 22 ? O ALA B 21 
AA3 2 3 N ASN B 23 ? N ASN B 22 O LYS B 26 ? O LYS B 25 
AA3 3 4 N CYS B 31 ? N CYS B 30 O TYR B 38 ? O TYR B 37 
AA4 1 2 N THR B 52 ? N THR B 51 O ARG B 63 ? O ARG B 62 
AA4 2 3 N ALA B 66 ? N ALA B 65 O THR B 73 ? O THR B 72 
AA4 3 4 N CYS B 76 ? N CYS B 75 O THR B 83 ? O THR B 82 
AA5 1 2 N GLN C 5  ? N GLN C 4  O ALA C 22 ? O ALA C 21 
AA5 2 3 N ASN C 23 ? N ASN C 22 O LYS C 26 ? O LYS C 25 
AA5 3 4 N CYS C 31 ? N CYS C 30 O TYR C 38 ? O TYR C 37 
AA6 1 2 N THR C 52 ? N THR C 51 O ARG C 63 ? O ARG C 62 
AA6 2 3 N ALA C 66 ? N ALA C 65 O THR C 73 ? O THR C 72 
AA6 3 4 N CYS C 76 ? N CYS C 75 O THR C 83 ? O THR C 82 
# 
_pdbx_entry_details.entry_id                   9GR3 
_pdbx_entry_details.has_ligand_of_interest     Y 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.has_protein_modification   N 
# 
loop_
_pdbx_validate_torsion.id 
_pdbx_validate_torsion.PDB_model_num 
_pdbx_validate_torsion.auth_comp_id 
_pdbx_validate_torsion.auth_asym_id 
_pdbx_validate_torsion.auth_seq_id 
_pdbx_validate_torsion.PDB_ins_code 
_pdbx_validate_torsion.label_alt_id 
_pdbx_validate_torsion.phi 
_pdbx_validate_torsion.psi 
1 1 LYS A 34 ? ? -144.49 45.89 
2 1 THR A 89 ? ? -108.92 75.30 
3 1 LYS C 34 ? ? -140.71 25.06 
# 
loop_
_space_group_symop.id 
_space_group_symop.operation_xyz 
1 x,y,z       
2 -x,y+1/2,-z 
# 
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 0 B THR 89 ? B THR 90 
2 1 Y 0 B ASN 90 ? B ASN 91 
3 1 Y 1 C MET 0  ? C MET 1  
4 1 Y 1 C LYS 1  ? C LYS 2  
5 1 Y 0 C THR 89 ? C THR 90 
6 1 Y 0 C ASN 90 ? C ASN 91 
# 
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.pdbx_ordinal 
ALA N    N N N 1   
ALA CA   C N S 2   
ALA C    C N N 3   
ALA O    O N N 4   
ALA CB   C N N 5   
ALA OXT  O N N 6   
ALA H    H N N 7   
ALA H2   H N N 8   
ALA HA   H N N 9   
ALA HB1  H N N 10  
ALA HB2  H N N 11  
ALA HB3  H N N 12  
ALA HXT  H N N 13  
ARG N    N N N 14  
ARG CA   C N S 15  
ARG C    C N N 16  
ARG O    O N N 17  
ARG CB   C N N 18  
ARG CG   C N N 19  
ARG CD   C N N 20  
ARG NE   N N N 21  
ARG CZ   C N N 22  
ARG NH1  N N N 23  
ARG NH2  N N N 24  
ARG OXT  O N N 25  
ARG H    H N N 26  
ARG H2   H N N 27  
ARG HA   H N N 28  
ARG HB2  H N N 29  
ARG HB3  H N N 30  
ARG HG2  H N N 31  
ARG HG3  H N N 32  
ARG HD2  H N N 33  
ARG HD3  H N N 34  
ARG HE   H N N 35  
ARG HH11 H N N 36  
ARG HH12 H N N 37  
ARG HH21 H N N 38  
ARG HH22 H N N 39  
ARG HXT  H N N 40  
ASN N    N N N 41  
ASN CA   C N S 42  
ASN C    C N N 43  
ASN O    O N N 44  
ASN CB   C N N 45  
ASN CG   C N N 46  
ASN OD1  O N N 47  
ASN ND2  N N N 48  
ASN OXT  O N N 49  
ASN H    H N N 50  
ASN H2   H N N 51  
ASN HA   H N N 52  
ASN HB2  H N N 53  
ASN HB3  H N N 54  
ASN HD21 H N N 55  
ASN HD22 H N N 56  
ASN HXT  H N N 57  
ASP N    N N N 58  
ASP CA   C N S 59  
ASP C    C N N 60  
ASP O    O N N 61  
ASP CB   C N N 62  
ASP CG   C N N 63  
ASP OD1  O N N 64  
ASP OD2  O N N 65  
ASP OXT  O N N 66  
ASP H    H N N 67  
ASP H2   H N N 68  
ASP HA   H N N 69  
ASP HB2  H N N 70  
ASP HB3  H N N 71  
ASP HD2  H N N 72  
ASP HXT  H N N 73  
BDF C1   C N N 74  
BDF C2   C N R 75  
BDF C3   C N S 76  
BDF C4   C N R 77  
BDF C5   C N R 78  
BDF C6   C N N 79  
BDF O1   O N N 80  
BDF O2   O N N 81  
BDF O3   O N N 82  
BDF O4   O N N 83  
BDF O5   O N N 84  
BDF O6   O N N 85  
BDF H11  H N N 86  
BDF H12  H N N 87  
BDF H3   H N N 88  
BDF H4   H N N 89  
BDF H5   H N N 90  
BDF H61  H N N 91  
BDF H62  H N N 92  
BDF HO1  H N N 93  
BDF HO2  H N N 94  
BDF HO3  H N N 95  
BDF HO4  H N N 96  
BDF HO5  H N N 97  
CYS N    N N N 98  
CYS CA   C N R 99  
CYS C    C N N 100 
CYS O    O N N 101 
CYS CB   C N N 102 
CYS SG   S N N 103 
CYS OXT  O N N 104 
CYS H    H N N 105 
CYS H2   H N N 106 
CYS HA   H N N 107 
CYS HB2  H N N 108 
CYS HB3  H N N 109 
CYS HG   H N N 110 
CYS HXT  H N N 111 
GLN N    N N N 112 
GLN CA   C N S 113 
GLN C    C N N 114 
GLN O    O N N 115 
GLN CB   C N N 116 
GLN CG   C N N 117 
GLN CD   C N N 118 
GLN OE1  O N N 119 
GLN NE2  N N N 120 
GLN OXT  O N N 121 
GLN H    H N N 122 
GLN H2   H N N 123 
GLN HA   H N N 124 
GLN HB2  H N N 125 
GLN HB3  H N N 126 
GLN HG2  H N N 127 
GLN HG3  H N N 128 
GLN HE21 H N N 129 
GLN HE22 H N N 130 
GLN HXT  H N N 131 
GLU N    N N N 132 
GLU CA   C N S 133 
GLU C    C N N 134 
GLU O    O N N 135 
GLU CB   C N N 136 
GLU CG   C N N 137 
GLU CD   C N N 138 
GLU OE1  O N N 139 
GLU OE2  O N N 140 
GLU OXT  O N N 141 
GLU H    H N N 142 
GLU H2   H N N 143 
GLU HA   H N N 144 
GLU HB2  H N N 145 
GLU HB3  H N N 146 
GLU HG2  H N N 147 
GLU HG3  H N N 148 
GLU HE2  H N N 149 
GLU HXT  H N N 150 
GLY N    N N N 151 
GLY CA   C N N 152 
GLY C    C N N 153 
GLY O    O N N 154 
GLY OXT  O N N 155 
GLY H    H N N 156 
GLY H2   H N N 157 
GLY HA2  H N N 158 
GLY HA3  H N N 159 
GLY HXT  H N N 160 
HIS N    N N N 161 
HIS CA   C N S 162 
HIS C    C N N 163 
HIS O    O N N 164 
HIS CB   C N N 165 
HIS CG   C Y N 166 
HIS ND1  N Y N 167 
HIS CD2  C Y N 168 
HIS CE1  C Y N 169 
HIS NE2  N Y N 170 
HIS OXT  O N N 171 
HIS H    H N N 172 
HIS H2   H N N 173 
HIS HA   H N N 174 
HIS HB2  H N N 175 
HIS HB3  H N N 176 
HIS HD1  H N N 177 
HIS HD2  H N N 178 
HIS HE1  H N N 179 
HIS HE2  H N N 180 
HIS HXT  H N N 181 
HOH O    O N N 182 
HOH H1   H N N 183 
HOH H2   H N N 184 
ILE N    N N N 185 
ILE CA   C N S 186 
ILE C    C N N 187 
ILE O    O N N 188 
ILE CB   C N S 189 
ILE CG1  C N N 190 
ILE CG2  C N N 191 
ILE CD1  C N N 192 
ILE OXT  O N N 193 
ILE H    H N N 194 
ILE H2   H N N 195 
ILE HA   H N N 196 
ILE HB   H N N 197 
ILE HG12 H N N 198 
ILE HG13 H N N 199 
ILE HG21 H N N 200 
ILE HG22 H N N 201 
ILE HG23 H N N 202 
ILE HD11 H N N 203 
ILE HD12 H N N 204 
ILE HD13 H N N 205 
ILE HXT  H N N 206 
LEU N    N N N 207 
LEU CA   C N S 208 
LEU C    C N N 209 
LEU O    O N N 210 
LEU CB   C N N 211 
LEU CG   C N N 212 
LEU CD1  C N N 213 
LEU CD2  C N N 214 
LEU OXT  O N N 215 
LEU H    H N N 216 
LEU H2   H N N 217 
LEU HA   H N N 218 
LEU HB2  H N N 219 
LEU HB3  H N N 220 
LEU HG   H N N 221 
LEU HD11 H N N 222 
LEU HD12 H N N 223 
LEU HD13 H N N 224 
LEU HD21 H N N 225 
LEU HD22 H N N 226 
LEU HD23 H N N 227 
LEU HXT  H N N 228 
LYS N    N N N 229 
LYS CA   C N S 230 
LYS C    C N N 231 
LYS O    O N N 232 
LYS CB   C N N 233 
LYS CG   C N N 234 
LYS CD   C N N 235 
LYS CE   C N N 236 
LYS NZ   N N N 237 
LYS OXT  O N N 238 
LYS H    H N N 239 
LYS H2   H N N 240 
LYS HA   H N N 241 
LYS HB2  H N N 242 
LYS HB3  H N N 243 
LYS HG2  H N N 244 
LYS HG3  H N N 245 
LYS HD2  H N N 246 
LYS HD3  H N N 247 
LYS HE2  H N N 248 
LYS HE3  H N N 249 
LYS HZ1  H N N 250 
LYS HZ2  H N N 251 
LYS HZ3  H N N 252 
LYS HXT  H N N 253 
MET N    N N N 254 
MET CA   C N S 255 
MET C    C N N 256 
MET O    O N N 257 
MET CB   C N N 258 
MET CG   C N N 259 
MET SD   S N N 260 
MET CE   C N N 261 
MET OXT  O N N 262 
MET H    H N N 263 
MET H2   H N N 264 
MET HA   H N N 265 
MET HB2  H N N 266 
MET HB3  H N N 267 
MET HG2  H N N 268 
MET HG3  H N N 269 
MET HE1  H N N 270 
MET HE2  H N N 271 
MET HE3  H N N 272 
MET HXT  H N N 273 
PHE N    N N N 274 
PHE CA   C N S 275 
PHE C    C N N 276 
PHE O    O N N 277 
PHE CB   C N N 278 
PHE CG   C Y N 279 
PHE CD1  C Y N 280 
PHE CD2  C Y N 281 
PHE CE1  C Y N 282 
PHE CE2  C Y N 283 
PHE CZ   C Y N 284 
PHE OXT  O N N 285 
PHE H    H N N 286 
PHE H2   H N N 287 
PHE HA   H N N 288 
PHE HB2  H N N 289 
PHE HB3  H N N 290 
PHE HD1  H N N 291 
PHE HD2  H N N 292 
PHE HE1  H N N 293 
PHE HE2  H N N 294 
PHE HZ   H N N 295 
PHE HXT  H N N 296 
PRO N    N N N 297 
PRO CA   C N S 298 
PRO C    C N N 299 
PRO O    O N N 300 
PRO CB   C N N 301 
PRO CG   C N N 302 
PRO CD   C N N 303 
PRO OXT  O N N 304 
PRO H    H N N 305 
PRO HA   H N N 306 
PRO HB2  H N N 307 
PRO HB3  H N N 308 
PRO HG2  H N N 309 
PRO HG3  H N N 310 
PRO HD2  H N N 311 
PRO HD3  H N N 312 
PRO HXT  H N N 313 
SER N    N N N 314 
SER CA   C N S 315 
SER C    C N N 316 
SER O    O N N 317 
SER CB   C N N 318 
SER OG   O N N 319 
SER OXT  O N N 320 
SER H    H N N 321 
SER H2   H N N 322 
SER HA   H N N 323 
SER HB2  H N N 324 
SER HB3  H N N 325 
SER HG   H N N 326 
SER HXT  H N N 327 
T3Y O3   O N N 328 
T3Y S1   S N N 329 
T3Y O1   O N N 330 
T3Y O2   O N N 331 
T3Y C1   C Y N 332 
T3Y C24  C Y N 333 
T3Y C23  C Y N 334 
T3Y C22  C N N 335 
T3Y C2   C Y N 336 
T3Y C3   C Y N 337 
T3Y C25  C Y N 338 
T3Y O13  O N N 339 
T3Y C4   C N N 340 
T3Y C5   C Y N 341 
T3Y C6   C Y N 342 
T3Y C7   C Y N 343 
T3Y S2   S N N 344 
T3Y O4   O N N 345 
T3Y O5   O N N 346 
T3Y O6   O N N 347 
T3Y C8   C Y N 348 
T3Y C28  C Y N 349 
T3Y O16  O N N 350 
T3Y C9   C Y N 351 
T3Y C10  C N N 352 
T3Y C11  C Y N 353 
T3Y C12  C Y N 354 
T3Y C13  C Y N 355 
T3Y S3   S N N 356 
T3Y O7   O N N 357 
T3Y O8   O N N 358 
T3Y O9   O N N 359 
T3Y C14  C Y N 360 
T3Y C27  C Y N 361 
T3Y O15  O N N 362 
T3Y C15  C Y N 363 
T3Y C16  C N N 364 
T3Y C17  C Y N 365 
T3Y C18  C Y N 366 
T3Y C26  C Y N 367 
T3Y O14  O N N 368 
T3Y C21  C Y N 369 
T3Y C20  C Y N 370 
T3Y C19  C Y N 371 
T3Y S4   S N N 372 
T3Y O11  O N N 373 
T3Y O10  O N N 374 
T3Y O12  O N N 375 
T3Y HO3  H N N 376 
T3Y H24  H N N 377 
T3Y H22  H N N 378 
T3Y H22A H N N 379 
T3Y H2   H N N 380 
T3Y HO13 H N N 381 
T3Y H4   H N N 382 
T3Y H4A  H N N 383 
T3Y H6   H N N 384 
T3Y HO5  H N N 385 
T3Y H8   H N N 386 
T3Y HO16 H N N 387 
T3Y H10  H N N 388 
T3Y H10A H N N 389 
T3Y H12  H N N 390 
T3Y HO8  H N N 391 
T3Y H14  H N N 392 
T3Y HO15 H N N 393 
T3Y H16  H N N 394 
T3Y H16A H N N 395 
T3Y H18  H N N 396 
T3Y HO14 H N N 397 
T3Y H20  H N N 398 
T3Y HO10 H N N 399 
THR N    N N N 400 
THR CA   C N S 401 
THR C    C N N 402 
THR O    O N N 403 
THR CB   C N R 404 
THR OG1  O N N 405 
THR CG2  C N N 406 
THR OXT  O N N 407 
THR H    H N N 408 
THR H2   H N N 409 
THR HA   H N N 410 
THR HB   H N N 411 
THR HG1  H N N 412 
THR HG21 H N N 413 
THR HG22 H N N 414 
THR HG23 H N N 415 
THR HXT  H N N 416 
TRP N    N N N 417 
TRP CA   C N S 418 
TRP C    C N N 419 
TRP O    O N N 420 
TRP CB   C N N 421 
TRP CG   C Y N 422 
TRP CD1  C Y N 423 
TRP CD2  C Y N 424 
TRP NE1  N Y N 425 
TRP CE2  C Y N 426 
TRP CE3  C Y N 427 
TRP CZ2  C Y N 428 
TRP CZ3  C Y N 429 
TRP CH2  C Y N 430 
TRP OXT  O N N 431 
TRP H    H N N 432 
TRP H2   H N N 433 
TRP HA   H N N 434 
TRP HB2  H N N 435 
TRP HB3  H N N 436 
TRP HD1  H N N 437 
TRP HE1  H N N 438 
TRP HE3  H N N 439 
TRP HZ2  H N N 440 
TRP HZ3  H N N 441 
TRP HH2  H N N 442 
TRP HXT  H N N 443 
TYR N    N N N 444 
TYR CA   C N S 445 
TYR C    C N N 446 
TYR O    O N N 447 
TYR CB   C N N 448 
TYR CG   C Y N 449 
TYR CD1  C Y N 450 
TYR CD2  C Y N 451 
TYR CE1  C Y N 452 
TYR CE2  C Y N 453 
TYR CZ   C Y N 454 
TYR OH   O N N 455 
TYR OXT  O N N 456 
TYR H    H N N 457 
TYR H2   H N N 458 
TYR HA   H N N 459 
TYR HB2  H N N 460 
TYR HB3  H N N 461 
TYR HD1  H N N 462 
TYR HD2  H N N 463 
TYR HE1  H N N 464 
TYR HE2  H N N 465 
TYR HH   H N N 466 
TYR HXT  H N N 467 
VAL N    N N N 468 
VAL CA   C N S 469 
VAL C    C N N 470 
VAL O    O N N 471 
VAL CB   C N N 472 
VAL CG1  C N N 473 
VAL CG2  C N N 474 
VAL OXT  O N N 475 
VAL H    H N N 476 
VAL H2   H N N 477 
VAL HA   H N N 478 
VAL HB   H N N 479 
VAL HG11 H N N 480 
VAL HG12 H N N 481 
VAL HG13 H N N 482 
VAL HG21 H N N 483 
VAL HG22 H N N 484 
VAL HG23 H N N 485 
VAL HXT  H N N 486 
# 
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal 
ALA N   CA   sing N N 1   
ALA N   H    sing N N 2   
ALA N   H2   sing N N 3   
ALA CA  C    sing N N 4   
ALA CA  CB   sing N N 5   
ALA CA  HA   sing N N 6   
ALA C   O    doub N N 7   
ALA C   OXT  sing N N 8   
ALA CB  HB1  sing N N 9   
ALA CB  HB2  sing N N 10  
ALA CB  HB3  sing N N 11  
ALA OXT HXT  sing N N 12  
ARG N   CA   sing N N 13  
ARG N   H    sing N N 14  
ARG N   H2   sing N N 15  
ARG CA  C    sing N N 16  
ARG CA  CB   sing N N 17  
ARG CA  HA   sing N N 18  
ARG C   O    doub N N 19  
ARG C   OXT  sing N N 20  
ARG CB  CG   sing N N 21  
ARG CB  HB2  sing N N 22  
ARG CB  HB3  sing N N 23  
ARG CG  CD   sing N N 24  
ARG CG  HG2  sing N N 25  
ARG CG  HG3  sing N N 26  
ARG CD  NE   sing N N 27  
ARG CD  HD2  sing N N 28  
ARG CD  HD3  sing N N 29  
ARG NE  CZ   sing N N 30  
ARG NE  HE   sing N N 31  
ARG CZ  NH1  sing N N 32  
ARG CZ  NH2  doub N N 33  
ARG NH1 HH11 sing N N 34  
ARG NH1 HH12 sing N N 35  
ARG NH2 HH21 sing N N 36  
ARG NH2 HH22 sing N N 37  
ARG OXT HXT  sing N N 38  
ASN N   CA   sing N N 39  
ASN N   H    sing N N 40  
ASN N   H2   sing N N 41  
ASN CA  C    sing N N 42  
ASN CA  CB   sing N N 43  
ASN CA  HA   sing N N 44  
ASN C   O    doub N N 45  
ASN C   OXT  sing N N 46  
ASN CB  CG   sing N N 47  
ASN CB  HB2  sing N N 48  
ASN CB  HB3  sing N N 49  
ASN CG  OD1  doub N N 50  
ASN CG  ND2  sing N N 51  
ASN ND2 HD21 sing N N 52  
ASN ND2 HD22 sing N N 53  
ASN OXT HXT  sing N N 54  
ASP N   CA   sing N N 55  
ASP N   H    sing N N 56  
ASP N   H2   sing N N 57  
ASP CA  C    sing N N 58  
ASP CA  CB   sing N N 59  
ASP CA  HA   sing N N 60  
ASP C   O    doub N N 61  
ASP C   OXT  sing N N 62  
ASP CB  CG   sing N N 63  
ASP CB  HB2  sing N N 64  
ASP CB  HB3  sing N N 65  
ASP CG  OD1  doub N N 66  
ASP CG  OD2  sing N N 67  
ASP OD2 HD2  sing N N 68  
ASP OXT HXT  sing N N 69  
BDF C1  C2   sing N N 70  
BDF C1  O1   sing N N 71  
BDF C1  H11  sing N N 72  
BDF C1  H12  sing N N 73  
BDF C2  C3   sing N N 74  
BDF C2  O2   sing N N 75  
BDF C2  O6   sing N N 76  
BDF C3  C4   sing N N 77  
BDF C3  O3   sing N N 78  
BDF C3  H3   sing N N 79  
BDF C4  C5   sing N N 80  
BDF C4  O4   sing N N 81  
BDF C4  H4   sing N N 82  
BDF C5  C6   sing N N 83  
BDF C5  O5   sing N N 84  
BDF C5  H5   sing N N 85  
BDF C6  O6   sing N N 86  
BDF C6  H61  sing N N 87  
BDF C6  H62  sing N N 88  
BDF O1  HO1  sing N N 89  
BDF O2  HO2  sing N N 90  
BDF O3  HO3  sing N N 91  
BDF O4  HO4  sing N N 92  
BDF O5  HO5  sing N N 93  
CYS N   CA   sing N N 94  
CYS N   H    sing N N 95  
CYS N   H2   sing N N 96  
CYS CA  C    sing N N 97  
CYS CA  CB   sing N N 98  
CYS CA  HA   sing N N 99  
CYS C   O    doub N N 100 
CYS C   OXT  sing N N 101 
CYS CB  SG   sing N N 102 
CYS CB  HB2  sing N N 103 
CYS CB  HB3  sing N N 104 
CYS SG  HG   sing N N 105 
CYS OXT HXT  sing N N 106 
GLN N   CA   sing N N 107 
GLN N   H    sing N N 108 
GLN N   H2   sing N N 109 
GLN CA  C    sing N N 110 
GLN CA  CB   sing N N 111 
GLN CA  HA   sing N N 112 
GLN C   O    doub N N 113 
GLN C   OXT  sing N N 114 
GLN CB  CG   sing N N 115 
GLN CB  HB2  sing N N 116 
GLN CB  HB3  sing N N 117 
GLN CG  CD   sing N N 118 
GLN CG  HG2  sing N N 119 
GLN CG  HG3  sing N N 120 
GLN CD  OE1  doub N N 121 
GLN CD  NE2  sing N N 122 
GLN NE2 HE21 sing N N 123 
GLN NE2 HE22 sing N N 124 
GLN OXT HXT  sing N N 125 
GLU N   CA   sing N N 126 
GLU N   H    sing N N 127 
GLU N   H2   sing N N 128 
GLU CA  C    sing N N 129 
GLU CA  CB   sing N N 130 
GLU CA  HA   sing N N 131 
GLU C   O    doub N N 132 
GLU C   OXT  sing N N 133 
GLU CB  CG   sing N N 134 
GLU CB  HB2  sing N N 135 
GLU CB  HB3  sing N N 136 
GLU CG  CD   sing N N 137 
GLU CG  HG2  sing N N 138 
GLU CG  HG3  sing N N 139 
GLU CD  OE1  doub N N 140 
GLU CD  OE2  sing N N 141 
GLU OE2 HE2  sing N N 142 
GLU OXT HXT  sing N N 143 
GLY N   CA   sing N N 144 
GLY N   H    sing N N 145 
GLY N   H2   sing N N 146 
GLY CA  C    sing N N 147 
GLY CA  HA2  sing N N 148 
GLY CA  HA3  sing N N 149 
GLY C   O    doub N N 150 
GLY C   OXT  sing N N 151 
GLY OXT HXT  sing N N 152 
HIS N   CA   sing N N 153 
HIS N   H    sing N N 154 
HIS N   H2   sing N N 155 
HIS CA  C    sing N N 156 
HIS CA  CB   sing N N 157 
HIS CA  HA   sing N N 158 
HIS C   O    doub N N 159 
HIS C   OXT  sing N N 160 
HIS CB  CG   sing N N 161 
HIS CB  HB2  sing N N 162 
HIS CB  HB3  sing N N 163 
HIS CG  ND1  sing Y N 164 
HIS CG  CD2  doub Y N 165 
HIS ND1 CE1  doub Y N 166 
HIS ND1 HD1  sing N N 167 
HIS CD2 NE2  sing Y N 168 
HIS CD2 HD2  sing N N 169 
HIS CE1 NE2  sing Y N 170 
HIS CE1 HE1  sing N N 171 
HIS NE2 HE2  sing N N 172 
HIS OXT HXT  sing N N 173 
HOH O   H1   sing N N 174 
HOH O   H2   sing N N 175 
ILE N   CA   sing N N 176 
ILE N   H    sing N N 177 
ILE N   H2   sing N N 178 
ILE CA  C    sing N N 179 
ILE CA  CB   sing N N 180 
ILE CA  HA   sing N N 181 
ILE C   O    doub N N 182 
ILE C   OXT  sing N N 183 
ILE CB  CG1  sing N N 184 
ILE CB  CG2  sing N N 185 
ILE CB  HB   sing N N 186 
ILE CG1 CD1  sing N N 187 
ILE CG1 HG12 sing N N 188 
ILE CG1 HG13 sing N N 189 
ILE CG2 HG21 sing N N 190 
ILE CG2 HG22 sing N N 191 
ILE CG2 HG23 sing N N 192 
ILE CD1 HD11 sing N N 193 
ILE CD1 HD12 sing N N 194 
ILE CD1 HD13 sing N N 195 
ILE OXT HXT  sing N N 196 
LEU N   CA   sing N N 197 
LEU N   H    sing N N 198 
LEU N   H2   sing N N 199 
LEU CA  C    sing N N 200 
LEU CA  CB   sing N N 201 
LEU CA  HA   sing N N 202 
LEU C   O    doub N N 203 
LEU C   OXT  sing N N 204 
LEU CB  CG   sing N N 205 
LEU CB  HB2  sing N N 206 
LEU CB  HB3  sing N N 207 
LEU CG  CD1  sing N N 208 
LEU CG  CD2  sing N N 209 
LEU CG  HG   sing N N 210 
LEU CD1 HD11 sing N N 211 
LEU CD1 HD12 sing N N 212 
LEU CD1 HD13 sing N N 213 
LEU CD2 HD21 sing N N 214 
LEU CD2 HD22 sing N N 215 
LEU CD2 HD23 sing N N 216 
LEU OXT HXT  sing N N 217 
LYS N   CA   sing N N 218 
LYS N   H    sing N N 219 
LYS N   H2   sing N N 220 
LYS CA  C    sing N N 221 
LYS CA  CB   sing N N 222 
LYS CA  HA   sing N N 223 
LYS C   O    doub N N 224 
LYS C   OXT  sing N N 225 
LYS CB  CG   sing N N 226 
LYS CB  HB2  sing N N 227 
LYS CB  HB3  sing N N 228 
LYS CG  CD   sing N N 229 
LYS CG  HG2  sing N N 230 
LYS CG  HG3  sing N N 231 
LYS CD  CE   sing N N 232 
LYS CD  HD2  sing N N 233 
LYS CD  HD3  sing N N 234 
LYS CE  NZ   sing N N 235 
LYS CE  HE2  sing N N 236 
LYS CE  HE3  sing N N 237 
LYS NZ  HZ1  sing N N 238 
LYS NZ  HZ2  sing N N 239 
LYS NZ  HZ3  sing N N 240 
LYS OXT HXT  sing N N 241 
MET N   CA   sing N N 242 
MET N   H    sing N N 243 
MET N   H2   sing N N 244 
MET CA  C    sing N N 245 
MET CA  CB   sing N N 246 
MET CA  HA   sing N N 247 
MET C   O    doub N N 248 
MET C   OXT  sing N N 249 
MET CB  CG   sing N N 250 
MET CB  HB2  sing N N 251 
MET CB  HB3  sing N N 252 
MET CG  SD   sing N N 253 
MET CG  HG2  sing N N 254 
MET CG  HG3  sing N N 255 
MET SD  CE   sing N N 256 
MET CE  HE1  sing N N 257 
MET CE  HE2  sing N N 258 
MET CE  HE3  sing N N 259 
MET OXT HXT  sing N N 260 
PHE N   CA   sing N N 261 
PHE N   H    sing N N 262 
PHE N   H2   sing N N 263 
PHE CA  C    sing N N 264 
PHE CA  CB   sing N N 265 
PHE CA  HA   sing N N 266 
PHE C   O    doub N N 267 
PHE C   OXT  sing N N 268 
PHE CB  CG   sing N N 269 
PHE CB  HB2  sing N N 270 
PHE CB  HB3  sing N N 271 
PHE CG  CD1  doub Y N 272 
PHE CG  CD2  sing Y N 273 
PHE CD1 CE1  sing Y N 274 
PHE CD1 HD1  sing N N 275 
PHE CD2 CE2  doub Y N 276 
PHE CD2 HD2  sing N N 277 
PHE CE1 CZ   doub Y N 278 
PHE CE1 HE1  sing N N 279 
PHE CE2 CZ   sing Y N 280 
PHE CE2 HE2  sing N N 281 
PHE CZ  HZ   sing N N 282 
PHE OXT HXT  sing N N 283 
PRO N   CA   sing N N 284 
PRO N   CD   sing N N 285 
PRO N   H    sing N N 286 
PRO CA  C    sing N N 287 
PRO CA  CB   sing N N 288 
PRO CA  HA   sing N N 289 
PRO C   O    doub N N 290 
PRO C   OXT  sing N N 291 
PRO CB  CG   sing N N 292 
PRO CB  HB2  sing N N 293 
PRO CB  HB3  sing N N 294 
PRO CG  CD   sing N N 295 
PRO CG  HG2  sing N N 296 
PRO CG  HG3  sing N N 297 
PRO CD  HD2  sing N N 298 
PRO CD  HD3  sing N N 299 
PRO OXT HXT  sing N N 300 
SER N   CA   sing N N 301 
SER N   H    sing N N 302 
SER N   H2   sing N N 303 
SER CA  C    sing N N 304 
SER CA  CB   sing N N 305 
SER CA  HA   sing N N 306 
SER C   O    doub N N 307 
SER C   OXT  sing N N 308 
SER CB  OG   sing N N 309 
SER CB  HB2  sing N N 310 
SER CB  HB3  sing N N 311 
SER OG  HG   sing N N 312 
SER OXT HXT  sing N N 313 
T3Y S1  O3   sing N N 314 
T3Y O3  HO3  sing N N 315 
T3Y O2  S1   doub N N 316 
T3Y S1  O1   doub N N 317 
T3Y S1  C1   sing N N 318 
T3Y C1  C2   doub Y N 319 
T3Y C1  C24  sing Y N 320 
T3Y C24 C23  doub Y N 321 
T3Y C24 H24  sing N N 322 
T3Y C23 C25  sing Y N 323 
T3Y C23 C22  sing N N 324 
T3Y C22 C21  sing N N 325 
T3Y C22 H22  sing N N 326 
T3Y C22 H22A sing N N 327 
T3Y C2  C3   sing Y N 328 
T3Y C2  H2   sing N N 329 
T3Y C3  C4   sing N N 330 
T3Y C3  C25  doub Y N 331 
T3Y C25 O13  sing N N 332 
T3Y O13 HO13 sing N N 333 
T3Y C4  C5   sing N N 334 
T3Y C4  H4   sing N N 335 
T3Y C4  H4A  sing N N 336 
T3Y C5  C6   doub Y N 337 
T3Y C5  C28  sing Y N 338 
T3Y C6  C7   sing Y N 339 
T3Y C6  H6   sing N N 340 
T3Y C7  S2   sing N N 341 
T3Y C7  C8   doub Y N 342 
T3Y O6  S2   doub N N 343 
T3Y S2  O4   doub N N 344 
T3Y S2  O5   sing N N 345 
T3Y O5  HO5  sing N N 346 
T3Y C9  C8   sing Y N 347 
T3Y C8  H8   sing N N 348 
T3Y O16 C28  sing N N 349 
T3Y C28 C9   doub Y N 350 
T3Y O16 HO16 sing N N 351 
T3Y C9  C10  sing N N 352 
T3Y C10 C11  sing N N 353 
T3Y C10 H10  sing N N 354 
T3Y C10 H10A sing N N 355 
T3Y C27 C11  doub Y N 356 
T3Y C11 C12  sing Y N 357 
T3Y C12 C13  doub Y N 358 
T3Y C12 H12  sing N N 359 
T3Y C14 C13  sing Y N 360 
T3Y C13 S3   sing N N 361 
T3Y O9  S3   doub N N 362 
T3Y S3  O7   doub N N 363 
T3Y S3  O8   sing N N 364 
T3Y O8  HO8  sing N N 365 
T3Y C15 C14  doub Y N 366 
T3Y C14 H14  sing N N 367 
T3Y O15 C27  sing N N 368 
T3Y C27 C15  sing Y N 369 
T3Y O15 HO15 sing N N 370 
T3Y C16 C15  sing N N 371 
T3Y C17 C16  sing N N 372 
T3Y C16 H16  sing N N 373 
T3Y C16 H16A sing N N 374 
T3Y C26 C17  doub Y N 375 
T3Y C17 C18  sing Y N 376 
T3Y C19 C18  doub Y N 377 
T3Y C18 H18  sing N N 378 
T3Y C21 C26  sing Y N 379 
T3Y O14 C26  sing N N 380 
T3Y O14 HO14 sing N N 381 
T3Y C21 C20  doub Y N 382 
T3Y C20 C19  sing Y N 383 
T3Y C20 H20  sing N N 384 
T3Y C19 S4   sing N N 385 
T3Y O11 S4   doub N N 386 
T3Y S4  O12  doub N N 387 
T3Y S4  O10  sing N N 388 
T3Y O10 HO10 sing N N 389 
THR N   CA   sing N N 390 
THR N   H    sing N N 391 
THR N   H2   sing N N 392 
THR CA  C    sing N N 393 
THR CA  CB   sing N N 394 
THR CA  HA   sing N N 395 
THR C   O    doub N N 396 
THR C   OXT  sing N N 397 
THR CB  OG1  sing N N 398 
THR CB  CG2  sing N N 399 
THR CB  HB   sing N N 400 
THR OG1 HG1  sing N N 401 
THR CG2 HG21 sing N N 402 
THR CG2 HG22 sing N N 403 
THR CG2 HG23 sing N N 404 
THR OXT HXT  sing N N 405 
TRP N   CA   sing N N 406 
TRP N   H    sing N N 407 
TRP N   H2   sing N N 408 
TRP CA  C    sing N N 409 
TRP CA  CB   sing N N 410 
TRP CA  HA   sing N N 411 
TRP C   O    doub N N 412 
TRP C   OXT  sing N N 413 
TRP CB  CG   sing N N 414 
TRP CB  HB2  sing N N 415 
TRP CB  HB3  sing N N 416 
TRP CG  CD1  doub Y N 417 
TRP CG  CD2  sing Y N 418 
TRP CD1 NE1  sing Y N 419 
TRP CD1 HD1  sing N N 420 
TRP CD2 CE2  doub Y N 421 
TRP CD2 CE3  sing Y N 422 
TRP NE1 CE2  sing Y N 423 
TRP NE1 HE1  sing N N 424 
TRP CE2 CZ2  sing Y N 425 
TRP CE3 CZ3  doub Y N 426 
TRP CE3 HE3  sing N N 427 
TRP CZ2 CH2  doub Y N 428 
TRP CZ2 HZ2  sing N N 429 
TRP CZ3 CH2  sing Y N 430 
TRP CZ3 HZ3  sing N N 431 
TRP CH2 HH2  sing N N 432 
TRP OXT HXT  sing N N 433 
TYR N   CA   sing N N 434 
TYR N   H    sing N N 435 
TYR N   H2   sing N N 436 
TYR CA  C    sing N N 437 
TYR CA  CB   sing N N 438 
TYR CA  HA   sing N N 439 
TYR C   O    doub N N 440 
TYR C   OXT  sing N N 441 
TYR CB  CG   sing N N 442 
TYR CB  HB2  sing N N 443 
TYR CB  HB3  sing N N 444 
TYR CG  CD1  doub Y N 445 
TYR CG  CD2  sing Y N 446 
TYR CD1 CE1  sing Y N 447 
TYR CD1 HD1  sing N N 448 
TYR CD2 CE2  doub Y N 449 
TYR CD2 HD2  sing N N 450 
TYR CE1 CZ   doub Y N 451 
TYR CE1 HE1  sing N N 452 
TYR CE2 CZ   sing Y N 453 
TYR CE2 HE2  sing N N 454 
TYR CZ  OH   sing N N 455 
TYR OH  HH   sing N N 456 
TYR OXT HXT  sing N N 457 
VAL N   CA   sing N N 458 
VAL N   H    sing N N 459 
VAL N   H2   sing N N 460 
VAL CA  C    sing N N 461 
VAL CA  CB   sing N N 462 
VAL CA  HA   sing N N 463 
VAL C   O    doub N N 464 
VAL C   OXT  sing N N 465 
VAL CB  CG1  sing N N 466 
VAL CB  CG2  sing N N 467 
VAL CB  HB   sing N N 468 
VAL CG1 HG11 sing N N 469 
VAL CG1 HG12 sing N N 470 
VAL CG1 HG13 sing N N 471 
VAL CG2 HG21 sing N N 472 
VAL CG2 HG22 sing N N 473 
VAL CG2 HG23 sing N N 474 
VAL OXT HXT  sing N N 475 
# 
loop_
_pdbx_audit_support.funding_organization 
_pdbx_audit_support.country 
_pdbx_audit_support.grant_number 
_pdbx_audit_support.ordinal 
'Irish Research Council'     Ireland GOIPG/2021/333 1 
'Science Foundation Ireland' Ireland 12/RC/2275_P2  2 
# 
_pdbx_initial_refinement_model.id               1 
_pdbx_initial_refinement_model.entity_id_list   ? 
_pdbx_initial_refinement_model.type             'experimental model' 
_pdbx_initial_refinement_model.source_name      PDB 
_pdbx_initial_refinement_model.accession_code   2BT9 
_pdbx_initial_refinement_model.details          ? 
# 
_space_group.name_H-M_alt     'P 1 21 1' 
_space_group.name_Hall        'P 2yb' 
_space_group.IT_number        4 
_space_group.crystal_system   monoclinic 
_space_group.id               1 
# 
_atom_sites.entry_id                    9GR3 
_atom_sites.Cartn_transf_matrix[1][1]   ? 
_atom_sites.Cartn_transf_matrix[1][2]   ? 
_atom_sites.Cartn_transf_matrix[1][3]   ? 
_atom_sites.Cartn_transf_matrix[2][1]   ? 
_atom_sites.Cartn_transf_matrix[2][2]   ? 
_atom_sites.Cartn_transf_matrix[2][3]   ? 
_atom_sites.Cartn_transf_matrix[3][1]   ? 
_atom_sites.Cartn_transf_matrix[3][2]   ? 
_atom_sites.Cartn_transf_matrix[3][3]   ? 
_atom_sites.Cartn_transf_vector[1]      ? 
_atom_sites.Cartn_transf_vector[2]      ? 
_atom_sites.Cartn_transf_vector[3]      ? 
_atom_sites.Cartn_transform_axes        ? 
_atom_sites.fract_transf_matrix[1][1]   0.022895 
_atom_sites.fract_transf_matrix[1][2]   0.000000 
_atom_sites.fract_transf_matrix[1][3]   0.012936 
_atom_sites.fract_transf_matrix[2][1]   0.000000 
_atom_sites.fract_transf_matrix[2][2]   0.013505 
_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]   0.026189 
_atom_sites.fract_transf_vector[1]      0.00000 
_atom_sites.fract_transf_vector[2]      0.00000 
_atom_sites.fract_transf_vector[3]      0.00000 
_atom_sites.solution_primary            ? 
_atom_sites.solution_secondary          ? 
_atom_sites.solution_hydrogens          ? 
_atom_sites.special_details             ? 
# 
loop_
_atom_type.symbol 
_atom_type.scat_dispersion_real 
_atom_type.scat_dispersion_imag 
_atom_type.scat_Cromer_Mann_a1 
_atom_type.scat_Cromer_Mann_a2 
_atom_type.scat_Cromer_Mann_a3 
_atom_type.scat_Cromer_Mann_a4 
_atom_type.scat_Cromer_Mann_b1 
_atom_type.scat_Cromer_Mann_b2 
_atom_type.scat_Cromer_Mann_b3 
_atom_type.scat_Cromer_Mann_b4 
_atom_type.scat_Cromer_Mann_c 
_atom_type.scat_source 
_atom_type.scat_dispersion_source 
C ? ? 3.54356 2.42580 ? ? 25.62398 1.50364  ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
N ? ? 4.01032 2.96436 ? ? 19.97189 1.75589  ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
O ? ? 4.49882 3.47563 ? ? 15.80542 1.70748  ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
S ? ? 9.55732 6.39887 ? ? 1.23737  29.19336 ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
# 
loop_
_atom_site.group_PDB 
_atom_site.id 
_atom_site.type_symbol 
_atom_site.label_atom_id 
_atom_site.label_alt_id 
_atom_site.label_comp_id 
_atom_site.label_asym_id 
_atom_site.label_entity_id 
_atom_site.label_seq_id 
_atom_site.pdbx_PDB_ins_code 
_atom_site.Cartn_x 
_atom_site.Cartn_y 
_atom_site.Cartn_z 
_atom_site.occupancy 
_atom_site.B_iso_or_equiv 
_atom_site.pdbx_formal_charge 
_atom_site.auth_seq_id 
_atom_site.auth_comp_id 
_atom_site.auth_asym_id 
_atom_site.auth_atom_id 
_atom_site.pdbx_PDB_model_num 
ATOM   1    N N   . MET A 1 1  ? -1.14917  -18.12994 4.81533   1.000 35.29090 ? 0   MET A N   1 
ATOM   2    C CA  . MET A 1 1  ? -1.45732  -18.14280 6.24084   1.000 37.50683 ? 0   MET A CA  1 
ATOM   3    C C   . MET A 1 1  ? -2.54029  -17.13286 6.59951   1.000 40.94084 ? 0   MET A C   1 
ATOM   4    O O   . MET A 1 1  ? -2.84559  -16.22890 5.82005   1.000 30.80243 ? 0   MET A O   1 
ATOM   5    C CB  . MET A 1 1  ? -0.20382  -17.85725 7.06690   1.000 28.29663 ? 0   MET A CB  1 
ATOM   6    C CG  . MET A 1 1  ? 0.78957   -19.00074 7.11132   1.000 28.22338 ? 0   MET A CG  1 
ATOM   7    S SD  . MET A 1 1  ? 2.00895   -18.75747 8.41443   1.000 30.72895 ? 0   MET A SD  1 
ATOM   8    C CE  . MET A 1 1  ? 3.07135   -20.17341 8.15093   1.000 30.54358 ? 0   MET A CE  1 
ATOM   9    N N   . LYS A 1 2  ? -3.11183  -17.29672 7.79039   1.000 34.16330 ? 1   LYS A N   1 
ATOM   10   C CA  . LYS A 1 2  ? -4.12357  -16.36982 8.27850   1.000 36.92934 ? 1   LYS A CA  1 
ATOM   11   C C   . LYS A 1 2  ? -3.50659  -14.99309 8.48378   1.000 28.24866 ? 1   LYS A C   1 
ATOM   12   O O   . LYS A 1 2  ? -2.51997  -14.84284 9.21206   1.000 31.93565 ? 1   LYS A O   1 
ATOM   13   C CB  . LYS A 1 2  ? -4.70623  -16.89085 9.59118   1.000 39.08318 ? 1   LYS A CB  1 
ATOM   14   C CG  . LYS A 1 2  ? -5.81197  -16.02896 10.17123  1.000 35.79377 ? 1   LYS A CG  1 
ATOM   15   C CD  . LYS A 1 2  ? -6.28241  -16.56776 11.51415  1.000 45.44749 ? 1   LYS A CD  1 
ATOM   16   C CE  . LYS A 1 2  ? -5.14429  -16.60280 12.52527  1.000 41.90401 ? 1   LYS A CE  1 
ATOM   17   N NZ  . LYS A 1 2  ? -5.62425  -16.95852 13.89075  1.000 37.26727 ? 1   LYS A NZ  1 
ATOM   18   N N   . SER A 1 3  ? -4.08632  -13.99127 7.83500   1.000 19.97079 ? 2   SER A N   1 
ATOM   19   C CA  . SER A 1 3  ? -3.57731  -12.63093 7.89420   1.000 17.24501 ? 2   SER A CA  1 
ATOM   20   C C   . SER A 1 3  ? -4.14845  -11.90384 9.10446   1.000 16.55869 ? 2   SER A C   1 
ATOM   21   O O   . SER A 1 3  ? -5.32380  -12.06519 9.44295   1.000 17.81272 ? 2   SER A O   1 
ATOM   22   C CB  . SER A 1 3  ? -3.98547  -11.88920 6.61988   1.000 25.87690 ? 2   SER A CB  1 
ATOM   23   O OG  . SER A 1 3  ? -3.74984  -10.49753 6.72089   1.000 26.47191 ? 2   SER A OG  1 
ATOM   24   N N   . VAL A 1 4  ? -3.31207  -11.09051 9.74752   1.000 13.37500 ? 3   VAL A N   1 
ATOM   25   C CA  . VAL A 1 4  ? -3.82116  -10.14674 10.73812  1.000 14.02902 ? 3   VAL A CA  1 
ATOM   26   C C   . VAL A 1 4  ? -4.73260  -9.14235  10.04021  1.000 12.85550 ? 3   VAL A C   1 
ATOM   27   O O   . VAL A 1 4  ? -4.73685  -9.02762  8.80749   1.000 15.61908 ? 3   VAL A O   1 
ATOM   28   C CB  . VAL A 1 4  ? -2.69220  -9.44533  11.51694  1.000 13.81549 ? 3   VAL A CB  1 
ATOM   29   C CG1 . VAL A 1 4  ? -1.87866  -10.46226 12.28688  1.000 13.75564 ? 3   VAL A CG1 1 
ATOM   30   C CG2 . VAL A 1 4  ? -1.80354  -8.61785  10.58110  1.000 15.41452 ? 3   VAL A CG2 1 
ATOM   31   N N   . GLN A 1 5  ? -5.50714  -8.40394  10.82075  1.000 11.40995 ? 4   GLN A N   1 
ATOM   32   C CA  . GLN A 1 5  ? -6.44753  -7.43055  10.28827  1.000 11.64242 ? 4   GLN A CA  1 
ATOM   33   C C   . GLN A 1 5  ? -6.17852  -6.11386  10.99766  1.000 10.75456 ? 4   GLN A C   1 
ATOM   34   O O   . GLN A 1 5  ? -6.07437  -6.08469  12.22922  1.000 11.74450 ? 4   GLN A O   1 
ATOM   35   C CB  . GLN A 1 5  ? -7.88743  -7.91966  10.50134  1.000 12.97319 ? 4   GLN A CB  1 
ATOM   36   C CG  . GLN A 1 5  ? -8.96909  -7.01684  9.93564   1.000 13.25775 ? 4   GLN A CG  1 
ATOM   37   C CD  . GLN A 1 5  ? -9.48779  -6.04793  10.97153  1.000 12.19922 ? 4   GLN A CD  1 
ATOM   38   O OE1 . GLN A 1 5  ? -9.65551  -6.39881  12.13221  1.000 13.15677 ? 4   GLN A OE1 1 
ATOM   39   N NE2 . GLN A 1 5  ? -9.71866  -4.81541  10.56251  1.000 17.96289 ? 4   GLN A NE2 1 
ATOM   40   N N   . THR A 1 6  ? -6.01646  -5.03782  10.23143  1.000 10.85969 ? 5   THR A N   1 
ATOM   41   C CA  . THR A 1 6  ? -5.66512  -3.75508  10.81586  1.000 10.37405 ? 5   THR A CA  1 
ATOM   42   C C   . THR A 1 6  ? -6.71960  -2.69672  10.53769  1.000 9.47331  ? 5   THR A C   1 
ATOM   43   O O   . THR A 1 6  ? -7.55691  -2.82209  9.63602   1.000 10.42785 ? 5   THR A O   1 
ATOM   44   C CB  . THR A 1 6  ? -4.30512  -3.23296  10.33156  1.000 9.47548  ? 5   THR A CB  1 
ATOM   45   O OG1 . THR A 1 6  ? -4.39125  -2.83058  8.96249   1.000 10.57308 ? 5   THR A OG1 1 
ATOM   46   C CG2 . THR A 1 6  ? -3.21236  -4.28995  10.48333  1.000 11.99364 ? 5   THR A CG2 1 
ATOM   47   N N   . ALA A 1 7  ? -6.64833  -1.63742  11.33181  1.000 9.49381  ? 6   ALA A N   1 
ATOM   48   C CA  . ALA A 1 7  ? -7.43917  -0.43137  11.14843  1.000 9.61113  ? 6   ALA A CA  1 
ATOM   49   C C   . ALA A 1 7  ? -6.55205  0.73703   11.53684  1.000 8.92814  ? 6   ALA A C   1 
ATOM   50   O O   . ALA A 1 7  ? -5.70490  0.60368   12.42133  1.000 10.59606 ? 6   ALA A O   1 
ATOM   51   C CB  . ALA A 1 7  ? -8.68375  -0.44985  12.04562  1.000 10.48781 ? 6   ALA A CB  1 
ATOM   52   N N   . ALA A 1 8  ? -6.73196  1.87911   10.88449  1.000 8.72362  ? 7   ALA A N   1 
ATOM   53   C CA  . ALA A 1 8  ? -5.82853  3.00522   11.07436  1.000 9.18395  ? 7   ALA A CA  1 
ATOM   54   C C   . ALA A 1 8  ? -6.60457  4.31477   11.11389  1.000 8.89128  ? 7   ALA A C   1 
ATOM   55   O O   . ALA A 1 8  ? -7.63027  4.46933   10.43768  1.000 9.86090  ? 7   ALA A O   1 
ATOM   56   C CB  . ALA A 1 8  ? -4.78107  3.07140   9.95749   1.000 11.50733 ? 7   ALA A CB  1 
ATOM   57   N N   . THR A 1 9  ? -6.08273  5.26957   11.88207  1.000 9.84182  ? 8   THR A N   1 
ATOM   58   C CA  . THR A 1 9  ? -6.63802  6.61666   11.94171  1.000 10.56281 ? 8   THR A CA  1 
ATOM   59   C C   . THR A 1 9  ? -5.48065  7.58355   12.14129  1.000 8.97736  ? 8   THR A C   1 
ATOM   60   O O   . THR A 1 9  ? -4.38400  7.18630   12.54088  1.000 9.99251  ? 8   THR A O   1 
ATOM   61   C CB  . THR A 1 9  ? -7.69402  6.73950   13.05865  1.000 10.48359 ? 8   THR A CB  1 
ATOM   62   O OG1 . THR A 1 9  ? -8.43741  7.95373   12.90417  1.000 11.07643 ? 8   THR A OG1 1 
ATOM   63   C CG2 . THR A 1 9  ? -7.06647  6.74650   14.44652  1.000 11.46462 ? 8   THR A CG2 1 
ATOM   64   N N   . SER A 1 10 ? -5.71410  8.85724   11.83421  1.000 8.89705  ? 9   SER A N   1 
ATOM   65   C CA  . SER A 1 10 ? -4.65667  9.85761   11.94273  1.000 10.63635 ? 9   SER A CA  1 
ATOM   66   C C   . SER A 1 10 ? -5.28780  11.21451  12.19817  1.000 10.25001 ? 9   SER A C   1 
ATOM   67   O O   . SER A 1 10 ? -6.45185  11.44268  11.86916  1.000 10.82020 ? 9   SER A O   1 
ATOM   68   C CB  . SER A 1 10 ? -3.80239  9.92898   10.66550  1.000 10.94386 ? 9   SER A CB  1 
ATOM   69   O OG  . SER A 1 10 ? -4.58144  10.23613  9.52079   1.000 11.01142 ? 9   SER A OG  1 
ATOM   70   N N   . TRP A 1 11 ? -4.51445  12.12277  12.78139  1.000 10.57942 ? 10  TRP A N   1 
ATOM   71   C CA  . TRP A 1 11 ? -5.01802  13.46608  13.02529  1.000 11.88170 ? 10  TRP A CA  1 
ATOM   72   C C   . TRP A 1 11 ? -3.87718  14.47117  13.01247  1.000 11.61167 ? 10  TRP A C   1 
ATOM   73   O O   . TRP A 1 11 ? -2.71602  14.14617  13.27689  1.000 12.73296 ? 10  TRP A O   1 
ATOM   74   C CB  . TRP A 1 11 ? -5.81859  13.56741  14.32942  1.000 12.08318 ? 10  TRP A CB  1 
ATOM   75   C CG  . TRP A 1 11 ? -5.03564  13.31547  15.58863  1.000 10.90181 ? 10  TRP A CG  1 
ATOM   76   C CD1 . TRP A 1 11 ? -4.38115  14.24451  16.34627  1.000 13.55375 ? 10  TRP A CD1 1 
ATOM   77   C CD2 . TRP A 1 11 ? -4.85840  12.05903  16.25255  1.000 11.52073 ? 10  TRP A CD2 1 
ATOM   78   N NE1 . TRP A 1 11 ? -3.79834  13.64020  17.43824  1.000 11.88068 ? 10  TRP A NE1 1 
ATOM   79   C CE2 . TRP A 1 11 ? -4.07607  12.29719  17.40107  1.000 11.82440 ? 10  TRP A CE2 1 
ATOM   80   C CE3 . TRP A 1 11 ? -5.26936  10.75239  15.97991  1.000 10.91954 ? 10  TRP A CE3 1 
ATOM   81   C CZ2 . TRP A 1 11 ? -3.71250  11.27629  18.28092  1.000 12.24666 ? 10  TRP A CZ2 1 
ATOM   82   C CZ3 . TRP A 1 11 ? -4.91377  9.74500   16.85178  1.000 11.17108 ? 10  TRP A CZ3 1 
ATOM   83   C CH2 . TRP A 1 11 ? -4.13349  10.00643  17.98412  1.000 12.04208 ? 10  TRP A CH2 1 
ATOM   84   N N   . GLY A 1 12 ? -4.23780  15.71483  12.72104  1.000 13.25557 ? 11  GLY A N   1 
ATOM   85   C CA  . GLY A 1 12 ? -3.27804  16.79450  12.72572  1.000 16.09561 ? 11  GLY A CA  1 
ATOM   86   C C   . GLY A 1 12 ? -2.34871  16.73779  11.52468  1.000 13.71780 ? 11  GLY A C   1 
ATOM   87   O O   . GLY A 1 12 ? -2.55011  15.99626  10.55739  1.000 17.82692 ? 11  GLY A O   1 
ATOM   88   N N   . THR A 1 13 ? -1.29715  17.54965  11.60704  1.000 17.36127 ? 12  THR A N   1 
ATOM   89   C CA  . THR A 1 13 ? -0.34552  17.67076  10.51440  1.000 17.09493 ? 12  THR A CA  1 
ATOM   90   C C   . THR A 1 13 ? 1.02016   17.07697  10.81880  1.000 17.69396 ? 12  THR A C   1 
ATOM   91   O O   . THR A 1 13 ? 1.86696   17.04228  9.91944   1.000 19.35232 ? 12  THR A O   1 
ATOM   92   C CB  . THR A 1 13 ? -0.17895  19.13992  10.09238  1.000 19.52916 ? 12  THR A CB  1 
ATOM   93   O OG1 . THR A 1 13 ? 0.23179   19.91687  11.22285  1.000 24.95788 ? 12  THR A OG1 1 
ATOM   94   C CG2 . THR A 1 13 ? -1.48973  19.69192  9.53753   1.000 23.94417 ? 12  THR A CG2 1 
ATOM   95   N N   . VAL A 1 14 ? 1.27162   16.62221  12.04924  1.000 15.59488 ? 13  VAL A N   1 
ATOM   96   C CA  . VAL A 1 14 ? 2.53538   15.93638  12.33285  1.000 15.86234 ? 13  VAL A CA  1 
ATOM   97   C C   . VAL A 1 14 ? 2.74981   14.72582  11.42820  1.000 15.12116 ? 13  VAL A C   1 
ATOM   98   O O   . VAL A 1 14 ? 3.82426   14.62378  10.81568  1.000 15.60959 ? 13  VAL A O   1 
ATOM   99   C CB  . VAL A 1 14 ? 2.67139   15.64193  13.83733  1.000 14.96430 ? 13  VAL A CB  1 
ATOM   100  C CG1 . VAL A 1 14 ? 3.95266   14.86523  14.11717  1.000 17.09968 ? 13  VAL A CG1 1 
ATOM   101  C CG2 . VAL A 1 14 ? 2.63061   16.92778  14.65497  1.000 18.03538 ? 13  VAL A CG2 1 
ATOM   102  N N   . PRO A 1 15 ? 1.79425   13.78159  11.29166  1.000 15.16649 ? 14  PRO A N   1 
ATOM   103  C CA  . PRO A 1 15 ? 0.53456   13.63981  12.01985  1.000 13.39555 ? 14  PRO A CA  1 
ATOM   104  C C   . PRO A 1 15 ? 0.75885   12.71811  13.19728  1.000 12.24015 ? 14  PRO A C   1 
ATOM   105  O O   . PRO A 1 15 ? 1.84685   12.17621  13.38224  1.000 12.86817 ? 14  PRO A O   1 
ATOM   106  C CB  . PRO A 1 15 ? -0.34345  12.91941  10.99594  1.000 13.72539 ? 14  PRO A CB  1 
ATOM   107  C CG  . PRO A 1 15 ? 0.61895   11.94313  10.39930  1.000 13.82393 ? 14  PRO A CG  1 
ATOM   108  C CD  . PRO A 1 15 ? 1.92642   12.71776  10.27694  1.000 15.60719 ? 14  PRO A CD  1 
ATOM   109  N N   . SER A 1 16 ? -0.26051  12.54348  14.02361  1.000 11.55192 ? 15  SER A N   1 
ATOM   110  C CA  . SER A 1 16 ? -0.34580  11.36633  14.86007  1.000 11.66538 ? 15  SER A CA  1 
ATOM   111  C C   . SER A 1 16 ? -1.08264  10.29770  14.07713  1.000 10.03700 ? 15  SER A C   1 
ATOM   112  O O   . SER A 1 16 ? -2.07420  10.58923  13.40452  1.000 11.21651 ? 15  SER A O   1 
ATOM   113  C CB  . SER A 1 16 ? -1.11359  11.65899  16.14366  1.000 11.11060 ? 15  SER A CB  1 
ATOM   114  O OG  . SER A 1 16 ? -0.32247  12.39441  17.06639  1.000 13.30691 ? 15  SER A OG  1 
ATOM   115  N N   . ILE A 1 17 ? -0.60298  9.06341   14.17874  1.000 9.45410  ? 16  ILE A N   1 
ATOM   116  C CA  . ILE A 1 17 ? -1.22533  7.90719   13.54503  1.000 9.11161  ? 16  ILE A CA  1 
ATOM   117  C C   . ILE A 1 17 ? -1.39755  6.84051   14.60619  1.000 9.22905  ? 16  ILE A C   1 
ATOM   118  O O   . ILE A 1 17 ? -0.50819  6.64147   15.43839  1.000 9.61627  ? 16  ILE A O   1 
ATOM   119  C CB  . ILE A 1 17 ? -0.35404  7.33392   12.40343  1.000 9.94537  ? 16  ILE A CB  1 
ATOM   120  C CG1 . ILE A 1 17 ? 0.12023   8.43266   11.44484  1.000 11.62803 ? 16  ILE A CG1 1 
ATOM   121  C CG2 . ILE A 1 17 ? -1.11915  6.23291   11.65751  1.000 11.64246 ? 16  ILE A CG2 1 
ATOM   122  C CD1 . ILE A 1 17 ? 1.11175   7.94160   10.37332  1.000 12.41211 ? 16  ILE A CD1 1 
ATOM   123  N N   . ARG A 1 18 ? -2.52514  6.14055   14.57116  1.000 9.46735  ? 17  ARG A N   1 
ATOM   124  C CA  . ARG A 1 18 ? -2.73991  4.97249   15.41401  1.000 9.35468  ? 17  ARG A CA  1 
ATOM   125  C C   . ARG A 1 18 ? -3.17109  3.81811   14.52117  1.000 9.12692  ? 17  ARG A C   1 
ATOM   126  O O   . ARG A 1 18 ? -4.10528  3.96670   13.72193  1.000 9.37894  ? 17  ARG A O   1 
ATOM   127  C CB  . ARG A 1 18 ? -3.79612  5.24521   16.49446  1.000 9.25208  ? 17  ARG A CB  1 
ATOM   128  C CG  . ARG A 1 18 ? -3.44391  6.36636   17.47232  1.000 9.73514  ? 17  ARG A CG  1 
ATOM   129  C CD  . ARG A 1 18 ? -2.24030  6.00243   18.34520  1.000 10.17778 ? 17  ARG A CD  1 
ATOM   130  N NE  . ARG A 1 18 ? -1.91399  7.04272   19.31605  1.000 10.60543 ? 17  ARG A NE  1 
ATOM   131  C CZ  . ARG A 1 18 ? -1.08205  8.05122   19.09242  1.000 10.90105 ? 17  ARG A CZ  1 
ATOM   132  N NH1 . ARG A 1 18 ? -0.48703  8.21153   17.92121  1.000 10.41431 ? 17  ARG A NH1 1 
ATOM   133  N NH2 . ARG A 1 18 ? -0.84837  8.92705   20.06750  1.000 12.84688 ? 17  ARG A NH2 1 
ATOM   134  N N   . VAL A 1 19 ? -2.49604  2.67981   14.64345  1.000 9.10347  ? 18  VAL A N   1 
ATOM   135  C CA  . VAL A 1 19 ? -2.78127  1.48294   13.86185  1.000 8.68816  ? 18  VAL A CA  1 
ATOM   136  C C   . VAL A 1 19 ? -3.11390  0.37044   14.84135  1.000 8.63341  ? 18  VAL A C   1 
ATOM   137  O O   . VAL A 1 19 ? -2.30356  0.04655   15.72696  1.000 9.35814  ? 18  VAL A O   1 
ATOM   138  C CB  . VAL A 1 19 ? -1.59588  1.08357   12.96390  1.000 9.05745  ? 18  VAL A CB  1 
ATOM   139  C CG1 . VAL A 1 19 ? -1.89831  -0.20146  12.20833  1.000 10.83516 ? 18  VAL A CG1 1 
ATOM   140  C CG2 . VAL A 1 19 ? -1.23923  2.21019   12.01258  1.000 10.42990 ? 18  VAL A CG2 1 
ATOM   141  N N   . TYR A 1 20 ? -4.31026  -0.18802  14.70274  1.000 8.61377  ? 19  TYR A N   1 
ATOM   142  C CA  . TYR A 1 20 ? -4.80644  -1.27101  15.54670  1.000 8.72340  ? 19  TYR A CA  1 
ATOM   143  C C   . TYR A 1 20 ? -4.70331  -2.57366  14.76477  1.000 9.34595  ? 19  TYR A C   1 
ATOM   144  O O   . TYR A 1 20 ? -5.07303  -2.62500  13.58815  1.000 10.12112 ? 19  TYR A O   1 
ATOM   145  C CB  . TYR A 1 20 ? -6.26590  -0.99597  15.96879  1.000 9.37169  ? 19  TYR A CB  1 
ATOM   146  C CG  . TYR A 1 20 ? -6.34006  0.31357   16.69704  1.000 7.92381  ? 19  TYR A CG  1 
ATOM   147  C CD1 . TYR A 1 20 ? -6.16995  0.36008   18.07352  1.000 8.41094  ? 19  TYR A CD1 1 
ATOM   148  C CD2 . TYR A 1 20 ? -6.43162  1.51276   16.00744  1.000 9.34807  ? 19  TYR A CD2 1 
ATOM   149  C CE1 . TYR A 1 20 ? -6.13615  1.55478   18.73114  1.000 8.16581  ? 19  TYR A CE1 1 
ATOM   150  C CE2 . TYR A 1 20 ? -6.41328  2.71443   16.66539  1.000 8.02002  ? 19  TYR A CE2 1 
ATOM   151  C CZ  . TYR A 1 20 ? -6.24812  2.72994   18.03456  1.000 8.15550  ? 19  TYR A CZ  1 
ATOM   152  O OH  . TYR A 1 20 ? -6.18679  3.93254   18.69851  1.000 9.77375  ? 19  TYR A OH  1 
ATOM   153  N N   . THR A 1 21 ? -4.19345  -3.62394  15.40470  1.000 9.30874  ? 20  THR A N   1 
ATOM   154  C CA  . THR A 1 21 ? -4.02886  -4.91626  14.74654  1.000 9.33695  ? 20  THR A CA  1 
ATOM   155  C C   . THR A 1 21 ? -4.73710  -5.98836  15.54956  1.000 9.05004  ? 20  THR A C   1 
ATOM   156  O O   . THR A 1 21 ? -4.42531  -6.18438  16.72959  1.000 10.48220 ? 20  THR A O   1 
ATOM   157  C CB  . THR A 1 21 ? -2.55079  -5.27877  14.61776  1.000 10.12211 ? 20  THR A CB  1 
ATOM   158  O OG1 . THR A 1 21 ? -1.90189  -4.29826  13.80593  1.000 10.67240 ? 20  THR A OG1 1 
ATOM   159  C CG2 . THR A 1 21 ? -2.38257  -6.66149  13.97470  1.000 11.79129 ? 20  THR A CG2 1 
ATOM   160  N N   . ALA A 1 22 ? -5.67294  -6.68736  14.91116  1.000 10.30100 ? 21  ALA A N   1 
ATOM   161  C CA  . ALA A 1 22 ? -6.30332  -7.85572  15.51116  1.000 10.72433 ? 21  ALA A CA  1 
ATOM   162  C C   . ALA A 1 22 ? -5.51732  -9.08361  15.07457  1.000 10.98076 ? 21  ALA A C   1 
ATOM   163  O O   . ALA A 1 22 ? -5.38588  -9.35224  13.87351  1.000 13.31886 ? 21  ALA A O   1 
ATOM   164  C CB  . ALA A 1 22 ? -7.75666  -7.97250  15.06595  1.000 13.31548 ? 21  ALA A CB  1 
ATOM   165  N N   . ASN A 1 23 ? -4.98115  -9.80818  16.04979  1.000 12.39868 ? 22  ASN A N   1 
ATOM   166  C CA  . ASN A 1 23 ? -4.11729  -10.95074 15.79483  1.000 12.01455 ? 22  ASN A CA  1 
ATOM   167  C C   . ASN A 1 23 ? -4.46921  -11.99774 16.83373  1.000 12.93140 ? 22  ASN A C   1 
ATOM   168  O O   . ASN A 1 23 ? -4.34745  -11.74207 18.03341  1.000 12.72733 ? 22  ASN A O   1 
ATOM   169  C CB  . ASN A 1 23 ? -2.64730  -10.54944 15.93748  1.000 14.77559 ? 22  ASN A CB  1 
ATOM   170  C CG  . ASN A 1 23 ? -1.69370  -11.68512 15.61341  1.000 14.56817 ? 22  ASN A CG  1 
ATOM   171  O OD1 . ASN A 1 23 ? -2.09801  -12.72981 15.10718  1.000 23.06923 ? 22  ASN A OD1 1 
ATOM   172  N ND2 . ASN A 1 23 ? -0.41362  -11.46833 15.87323  1.000 20.02239 ? 22  ASN A ND2 1 
ATOM   173  N N   . ASN A 1 24 ? -4.91499  -13.16073 16.37209  1.000 14.30164 ? 23  ASN A N   1 
ATOM   174  C CA  . ASN A 1 24 ? -5.27780  -14.27362 17.25020  1.000 13.96232 ? 23  ASN A CA  1 
ATOM   175  C C   . ASN A 1 24 ? -6.18695  -13.83358 18.40015  1.000 14.07109 ? 23  ASN A C   1 
ATOM   176  O O   . ASN A 1 24 ? -5.98293  -14.18051 19.56688  1.000 15.71726 ? 23  ASN A O   1 
ATOM   177  C CB  . ASN A 1 24 ? -4.04418  -15.02975 17.73507  1.000 18.44622 ? 23  ASN A CB  1 
ATOM   178  C CG  . ASN A 1 24 ? -3.40542  -15.84516 16.63024  1.000 22.86925 ? 23  ASN A CG  1 
ATOM   179  O OD1 . ASN A 1 24 ? -3.95939  -16.85266 16.19298  1.000 27.10425 ? 23  ASN A OD1 1 
ATOM   180  N ND2 . ASN A 1 24 ? -2.24351  -15.40557 16.16228  1.000 30.78634 ? 23  ASN A ND2 1 
ATOM   181  N N   . GLY A 1 25 ? -7.19832  -13.04294 18.05654  1.000 13.12329 ? 24  GLY A N   1 
ATOM   182  C CA  . GLY A 1 25 ? -8.21556  -12.66561 19.00917  1.000 13.94814 ? 24  GLY A CA  1 
ATOM   183  C C   . GLY A 1 25 ? -7.87356  -11.51463 19.92773  1.000 13.22464 ? 24  GLY A C   1 
ATOM   184  O O   . GLY A 1 25 ? -8.69112  -11.18668 20.79921  1.000 12.82808 ? 24  GLY A O   1 
ATOM   185  N N   . LYS A 1 26 ? -6.70782  -10.89302 19.77357  1.000 13.34205 ? 25  LYS A N   1 
ATOM   186  C CA  . LYS A 1 26 ? -6.32380  -9.74942  20.58255  1.000 11.22202 ? 25  LYS A CA  1 
ATOM   187  C C   . LYS A 1 26 ? -6.03446  -8.55129  19.69098  1.000 10.86873 ? 25  LYS A C   1 
ATOM   188  O O   . LYS A 1 26 ? -5.41148  -8.69853  18.63541  1.000 12.37831 ? 25  LYS A O   1 
ATOM   189  C CB  . LYS A 1 26 ? -5.06094  -10.07855 21.37913  1.000 13.20912 ? 25  LYS A CB  1 
ATOM   190  C CG  . LYS A 1 26 ? -5.25674  -11.16712 22.42449  1.000 21.08531 ? 25  LYS A CG  1 
ATOM   191  C CD  . LYS A 1 26 ? -4.09783  -11.20323 23.40818  1.000 34.65378 ? 25  LYS A CD  1 
ATOM   192  C CE  . LYS A 1 26 ? -3.94000  -9.87257  24.13005  1.000 36.06060 ? 25  LYS A CE  1 
ATOM   193  N NZ  . LYS A 1 26 ? -5.12303  -9.54880  24.97472  1.000 47.79941 ? 25  LYS A NZ  1 
ATOM   194  N N   . ILE A 1 27 ? -6.43717  -7.36159  20.13393  1.000 10.19422 ? 26  ILE A N   1 
ATOM   195  C CA  . ILE A 1 27 ? -6.13635  -6.11892  19.42656  1.000 10.23581 ? 26  ILE A CA  1 
ATOM   196  C C   . ILE A 1 27 ? -5.07888  -5.35410  20.20038  1.000 10.58459 ? 26  ILE A C   1 
ATOM   197  O O   . ILE A 1 27 ? -5.23482  -5.10824  21.40677  1.000 12.17569 ? 26  ILE A O   1 
ATOM   198  C CB  . ILE A 1 27 ? -7.37904  -5.23426  19.24740  1.000 10.88849 ? 26  ILE A CB  1 
ATOM   199  C CG1 . ILE A 1 27 ? -8.44974  -5.95431  18.43669  1.000 11.81983 ? 26  ILE A CG1 1 
ATOM   200  C CG2 . ILE A 1 27 ? -6.98701  -3.91048  18.58499  1.000 11.27594 ? 26  ILE A CG2 1 
ATOM   201  C CD1 . ILE A 1 27 ? -9.82820  -5.37232  18.63174  1.000 11.66630 ? 26  ILE A CD1 1 
ATOM   202  N N   . THR A 1 28 ? -4.01258  -4.97002  19.50547  1.000 10.80050 ? 27  THR A N   1 
ATOM   203  C CA  . THR A 1 28 ? -2.96308  -4.12118  20.04287  1.000 11.22298 ? 27  THR A CA  1 
ATOM   204  C C   . THR A 1 28 ? -2.79433  -2.89182  19.15894  1.000 10.08124 ? 27  THR A C   1 
ATOM   205  O O   . THR A 1 28 ? -3.35604  -2.80120  18.06286  1.000 10.72773 ? 27  THR A O   1 
ATOM   206  C CB  . THR A 1 28 ? -1.64573  -4.88781  20.18600  1.000 12.47865 ? 27  THR A CB  1 
ATOM   207  O OG1 . THR A 1 28 ? -1.28748  -5.44770  18.92000  1.000 14.74012 ? 27  THR A OG1 1 
ATOM   208  C CG2 . THR A 1 28 ? -1.81201  -6.00483  21.21344  1.000 15.57979 ? 27  THR A CG2 1 
ATOM   209  N N   . GLU A 1 29 ? -2.03784  -1.92524  19.66152  1.000 9.23623  ? 28  GLU A N   1 
ATOM   210  C CA  . GLU A 1 29 ? -2.00550  -0.58670  19.09349  1.000 9.85524  ? 28  GLU A CA  1 
ATOM   211  C C   . GLU A 1 29 ? -0.57032  -0.12611  18.91295  1.000 9.25896  ? 28  GLU A C   1 
ATOM   212  O O   . GLU A 1 29 ? 0.24793   -0.24618  19.83070  1.000 10.15973 ? 28  GLU A O   1 
ATOM   213  C CB  . GLU A 1 29 ? -2.73794  0.37302   20.03387  1.000 9.50042  ? 28  GLU A CB  1 
ATOM   214  C CG  . GLU A 1 29 ? -2.76617  1.82306   19.59765  1.000 9.85236  ? 28  GLU A CG  1 
ATOM   215  C CD  . GLU A 1 29 ? -3.26644  2.73992   20.70271  1.000 10.65343 ? 28  GLU A CD  1 
ATOM   216  O OE1 . GLU A 1 29 ? -2.82065  2.56830   21.85220  1.000 10.50880 ? 28  GLU A OE1 1 
ATOM   217  O OE2 . GLU A 1 29 ? -4.13167  3.61487   20.44011  1.000 10.55124 ? 28  GLU A OE2 1 
ATOM   218  N N   . ARG A 1 30 ? -0.27066  0.41140   17.73982  1.000 9.39338  ? 29  ARG A N   1 
ATOM   219  C CA  . ARG A 1 30 ? 1.01288   1.03336   17.46055  1.000 9.47636  ? 29  ARG A CA  1 
ATOM   220  C C   . ARG A 1 30 ? 0.77703   2.49239   17.10978  1.000 9.04961  ? 29  ARG A C   1 
ATOM   221  O O   . ARG A 1 30 ? -0.22490  2.83114   16.46176  1.000 10.26410 ? 29  ARG A O   1 
ATOM   222  C CB  . ARG A 1 30 ? 1.74100   0.31084   16.32818  1.000 11.25506 ? 29  ARG A CB  1 
ATOM   223  C CG  . ARG A 1 30 ? 2.15030   -1.11500  16.68763  1.000 10.85075 ? 29  ARG A CG  1 
ATOM   224  C CD  . ARG A 1 30 ? 3.37586   -1.14236  17.60641  1.000 11.21878 ? 29  ARG A CD  1 
ATOM   225  N NE  . ARG A 1 30 ? 4.59854   -0.92567  16.84287  1.000 10.71962 ? 29  ARG A NE  1 
ATOM   226  C CZ  . ARG A 1 30 ? 5.80868   -0.82664  17.37422  1.000 11.46070 ? 29  ARG A CZ  1 
ATOM   227  N NH1 . ARG A 1 30 ? 5.98914   -0.82237  18.68491  1.000 13.27858 ? 29  ARG A NH1 1 
ATOM   228  N NH2 . ARG A 1 30 ? 6.86262   -0.70982  16.56837  1.000 12.53508 ? 29  ARG A NH2 1 
ATOM   229  N N   . CYS A 1 31 ? 1.69394   3.35524   17.52528  1.000 10.03223 ? 30  CYS A N   1 
ATOM   230  C CA  . CYS A 1 31 ? 1.48793   4.79006   17.52671  1.000 9.28702  ? 30  CYS A CA  1 
ATOM   231  C C   . CYS A 1 31 ? 2.67300   5.47825   16.87240  1.000 9.01057  ? 30  CYS A C   1 
ATOM   232  O O   . CYS A 1 31 ? 3.82705   5.06920   17.04230  1.000 10.18963 ? 30  CYS A O   1 
ATOM   233  C CB  . CYS A 1 31 ? 1.43359   5.31283   18.95863  1.000 9.15470  ? 30  CYS A CB  1 
ATOM   234  S SG  . CYS A 1 31 ? 0.29139   4.43769   20.05114  1.000 10.32510 ? 30  CYS A SG  1 
ATOM   235  N N   . TRP A 1 32 ? 2.38545   6.57656   16.18553  1.000 9.48711  ? 31  TRP A N   1 
ATOM   236  C CA  . TRP A 1 32 ? 3.38820   7.43468   15.56674  1.000 10.65154 ? 31  TRP A CA  1 
ATOM   237  C C   . TRP A 1 32 ? 2.97997   8.87170   15.84684  1.000 11.03616 ? 31  TRP A C   1 
ATOM   238  O O   . TRP A 1 32 ? 1.81866   9.22694   15.63470  1.000 11.16230 ? 31  TRP A O   1 
ATOM   239  C CB  . TRP A 1 32 ? 3.42137   7.20382   14.04480  1.000 10.44429 ? 31  TRP A CB  1 
ATOM   240  C CG  . TRP A 1 32 ? 4.27457   8.17318   13.29393  1.000 14.35679 ? 31  TRP A CG  1 
ATOM   241  C CD1 . TRP A 1 32 ? 3.89739   9.38432   12.78106  1.000 14.16821 ? 31  TRP A CD1 1 
ATOM   242  C CD2 . TRP A 1 32 ? 5.65383   8.01540   12.97951  1.000 16.19012 ? 31  TRP A CD2 1 
ATOM   243  N NE1 . TRP A 1 32 ? 4.96322   9.98256   12.15829  1.000 14.41423 ? 31  TRP A NE1 1 
ATOM   244  C CE2 . TRP A 1 32 ? 6.05955   9.16795   12.27652  1.000 13.19208 ? 31  TRP A CE2 1 
ATOM   245  C CE3 . TRP A 1 32 ? 6.58786   7.00913   13.21925  1.000 14.38549 ? 31  TRP A CE3 1 
ATOM   246  C CZ2 . TRP A 1 32 ? 7.36166   9.33434   11.80414  1.000 17.05695 ? 31  TRP A CZ2 1 
ATOM   247  C CZ3 . TRP A 1 32 ? 7.87784   7.17508   12.74700  1.000 13.09388 ? 31  TRP A CZ3 1 
ATOM   248  C CH2 . TRP A 1 32 ? 8.25276   8.32795   12.05364  1.000 15.09428 ? 31  TRP A CH2 1 
ATOM   249  N N   . ASP A 1 33 ? 3.91008   9.69655   16.33138  1.000 12.08472 ? 32  ASP A N   1 
ATOM   250  C CA  . ASP A 1 33 ? 3.67520   11.13780  16.41704  1.000 11.74413 ? 32  ASP A CA  1 
ATOM   251  C C   . ASP A 1 33 ? 4.91547   11.89511  15.97973  1.000 13.31721 ? 32  ASP A C   1 
ATOM   252  O O   . ASP A 1 33 ? 5.32307   12.87685  16.60883  1.000 17.19603 ? 32  ASP A O   1 
ATOM   253  C CB  . ASP A 1 33 ? 3.21024   11.59260  17.80015  1.000 14.14374 ? 32  ASP A CB  1 
ATOM   254  C CG  . ASP A 1 33 ? 2.37170   10.55525  18.51307  1.000 13.41491 ? 32  ASP A CG  1 
ATOM   255  O OD1 . ASP A 1 33 ? 1.12619   10.59366  18.39499  1.000 11.93165 ? 32  ASP A OD1 1 
ATOM   256  O OD2 . ASP A 1 33 ? 2.97058   9.71483   19.21130  1.000 16.36517 ? 32  ASP A OD2 1 
ATOM   257  N N   . GLY A 1 34 ? 5.54313   11.42457  14.90708  1.000 14.13991 ? 33  GLY A N   1 
ATOM   258  C CA  . GLY A 1 34 ? 6.62729   12.12478  14.26027  1.000 17.13561 ? 33  GLY A CA  1 
ATOM   259  C C   . GLY A 1 34 ? 8.01928   11.65085  14.61561  1.000 16.19189 ? 33  GLY A C   1 
ATOM   260  O O   . GLY A 1 34 ? 8.97999   12.10962  13.98187  1.000 19.10295 ? 33  GLY A O   1 
ATOM   261  N N   . LYS A 1 35 ? 8.17835   10.76046  15.59203  1.000 14.28023 ? 34  LYS A N   1 
ATOM   262  C CA  . LYS A 1 35 ? 9.52643   10.42140  16.04987  1.000 14.53570 ? 34  LYS A CA  1 
ATOM   263  C C   . LYS A 1 35 ? 9.64878   8.94940   16.44077  1.000 18.28702 ? 34  LYS A C   1 
ATOM   264  O O   . LYS A 1 35 ? 10.25373  8.59677   17.45556  1.000 19.11205 ? 34  LYS A O   1 
ATOM   265  C CB  . LYS A 1 35 ? 10.00713  11.37501  17.14260  1.000 26.34511 ? 34  LYS A CB  1 
ATOM   266  C CG  . LYS A 1 35 ? 9.04898   11.53162  18.29752  1.000 29.42951 ? 34  LYS A CG  1 
ATOM   267  C CD  . LYS A 1 35 ? 9.48756   12.65293  19.23095  1.000 36.19092 ? 34  LYS A CD  1 
ATOM   268  C CE  . LYS A 1 35 ? 10.22202  12.11054  20.44376  1.000 39.51669 ? 34  LYS A CE  1 
ATOM   269  N NZ  . LYS A 1 35 ? 9.36877   11.13692  21.17933  1.000 40.30560 ? 34  LYS A NZ  1 
ATOM   270  N N   . GLY A 1 36 ? 9.12630   8.07485   15.60270  1.000 12.92863 ? 35  GLY A N   1 
ATOM   271  C CA  . GLY A 1 36 ? 9.27569   6.64534   15.77200  1.000 13.10010 ? 35  GLY A CA  1 
ATOM   272  C C   . GLY A 1 36 ? 7.97220   5.97826   16.18813  1.000 10.74851 ? 35  GLY A C   1 
ATOM   273  O O   . GLY A 1 36 ? 7.13676   6.56199   16.89684  1.000 12.65396 ? 35  GLY A O   1 
ATOM   274  N N   . TRP A 1 37 ? 7.81014   4.72428   15.77391  1.000 10.13102 ? 36  TRP A N   1 
ATOM   275  C CA  . TRP A 1 37 ? 6.65198   3.93449   16.17467  1.000 10.52088 ? 36  TRP A CA  1 
ATOM   276  C C   . TRP A 1 37 ? 6.86891   3.32287   17.55085  1.000 10.82696 ? 36  TRP A C   1 
ATOM   277  O O   . TRP A 1 37 ? 7.97869   2.89287   17.89068  1.000 12.43367 ? 36  TRP A O   1 
ATOM   278  C CB  . TRP A 1 37 ? 6.39635   2.81392   15.16386  1.000 9.70146  ? 36  TRP A CB  1 
ATOM   279  C CG  . TRP A 1 37 ? 5.85111   3.32892   13.87557  1.000 10.00162 ? 36  TRP A CG  1 
ATOM   280  C CD1 . TRP A 1 37 ? 6.56153   3.71027   12.77370  1.000 10.34144 ? 36  TRP A CD1 1 
ATOM   281  C CD2 . TRP A 1 37 ? 4.47179   3.56336   13.56640  1.000 9.05203  ? 36  TRP A CD2 1 
ATOM   282  N NE1 . TRP A 1 37 ? 5.70625   4.14149   11.79058  1.000 10.42233 ? 36  TRP A NE1 1 
ATOM   283  C CE2 . TRP A 1 37 ? 4.41849   4.06909   12.25231  1.000 9.18051  ? 36  TRP A CE2 1 
ATOM   284  C CE3 . TRP A 1 37 ? 3.27833   3.37725   14.27142  1.000 9.38580  ? 36  TRP A CE3 1 
ATOM   285  C CZ2 . TRP A 1 37 ? 3.21700   4.39112   11.61957  1.000 9.57538  ? 36  TRP A CZ2 1 
ATOM   286  C CZ3 . TRP A 1 37 ? 2.07187   3.70795   13.64905  1.000 9.80122  ? 36  TRP A CZ3 1 
ATOM   287  C CH2 . TRP A 1 37 ? 2.05444   4.21807   12.33492  1.000 9.94109  ? 36  TRP A CH2 1 
ATOM   288  N N   . TYR A 1 38 ? 5.79301   3.25424   18.32853  1.000 9.92282  ? 37  TYR A N   1 
ATOM   289  C CA  . TYR A 1 38 ? 5.85566   2.69437   19.66567  1.000 10.96615 ? 37  TYR A CA  1 
ATOM   290  C C   . TYR A 1 38 ? 4.51604   2.04374   19.98181  1.000 9.60107  ? 37  TYR A C   1 
ATOM   291  O O   . TYR A 1 38 ? 3.50824   2.26860   19.29774  1.000 11.08642 ? 37  TYR A O   1 
ATOM   292  C CB  . TYR A 1 38 ? 6.22848   3.75833   20.70616  1.000 11.37167 ? 37  TYR A CB  1 
ATOM   293  C CG  . TYR A 1 38 ? 5.25885   4.91993   20.79239  1.000 10.59568 ? 37  TYR A CG  1 
ATOM   294  C CD1 . TYR A 1 38 ? 5.31957   5.97355   19.89339  1.000 11.08608 ? 37  TYR A CD1 1 
ATOM   295  C CD2 . TYR A 1 38 ? 4.28108   4.95064   21.77504  1.000 11.67479 ? 37  TYR A CD2 1 
ATOM   296  C CE1 . TYR A 1 38 ? 4.41979   7.03300   19.97188  1.000 13.65995 ? 37  TYR A CE1 1 
ATOM   297  C CE2 . TYR A 1 38 ? 3.38099   5.99749   21.86505  1.000 11.32167 ? 37  TYR A CE2 1 
ATOM   298  C CZ  . TYR A 1 38 ? 3.45705   7.03833   20.96906  1.000 11.58720 ? 37  TYR A CZ  1 
ATOM   299  O OH  . TYR A 1 38 ? 2.54943   8.07675   21.07191  1.000 13.21547 ? 37  TYR A OH  1 
ATOM   300  N N   . THR A 1 39 ? 4.50412   1.22427   21.02231  1.000 10.69814 ? 38  THR A N   1 
ATOM   301  C CA  . THR A 1 39 ? 3.30447   0.49608   21.40071  1.000 12.88097 ? 38  THR A CA  1 
ATOM   302  C C   . THR A 1 39 ? 2.44591   1.34827   22.32214  1.000 10.01711 ? 38  THR A C   1 
ATOM   303  O O   . THR A 1 39 ? 2.94861   1.94435   23.27787  1.000 12.60019 ? 38  THR A O   1 
ATOM   304  C CB  . THR A 1 39 ? 3.69855   -0.82027  22.06369  1.000 11.99332 ? 38  THR A CB  1 
ATOM   305  O OG1 . THR A 1 39 ? 4.42188   -1.60704  21.10133  1.000 14.68818 ? 38  THR A OG1 1 
ATOM   306  C CG2 . THR A 1 39 ? 2.47365   -1.57806  22.54660  1.000 13.96722 ? 38  THR A CG2 1 
ATOM   307  N N   . GLY A 1 40 ? 1.15272   1.42227   22.01551  1.000 10.60514 ? 39  GLY A N   1 
ATOM   308  C CA  . GLY A 1 40 ? 0.23301   2.20345   22.81229  1.000 12.14871 ? 39  GLY A CA  1 
ATOM   309  C C   . GLY A 1 40 ? -0.42877  1.39552   23.92043  1.000 9.90225  ? 39  GLY A C   1 
ATOM   310  O O   . GLY A 1 40 ? -0.27298  0.18297   24.03608  1.000 10.83202 ? 39  GLY A O   1 
ATOM   311  N N   . ALA A 1 41 ? -1.21768  2.10862   24.73050  1.000 11.66405 ? 40  ALA A N   1 
ATOM   312  C CA  . ALA A 1 41 ? -1.86509  1.51333   25.88812  1.000 13.11008 ? 40  ALA A CA  1 
ATOM   313  C C   . ALA A 1 41 ? -3.02113  0.58582   25.52539  1.000 11.92846 ? 40  ALA A C   1 
ATOM   314  O O   . ALA A 1 41 ? -3.39532  -0.24387  26.35808  1.000 14.81072 ? 40  ALA A O   1 
ATOM   315  C CB  . ALA A 1 41 ? -2.37208  2.62654   26.80585  1.000 14.39167 ? 40  ALA A CB  1 
ATOM   316  N N   . PHE A 1 42 ? -3.58440  0.68936   24.31998  1.000 11.86670 ? 41  PHE A N   1 
ATOM   317  C CA  . PHE A 1 42 ? -4.79596  -0.05966  24.00419  1.000 11.15835 ? 41  PHE A CA  1 
ATOM   318  C C   . PHE A 1 42 ? -4.47692  -1.53783  23.81128  1.000 11.83166 ? 41  PHE A C   1 
ATOM   319  O O   . PHE A 1 42 ? -3.66150  -1.89746  22.95244  1.000 11.77322 ? 41  PHE A O   1 
ATOM   320  C CB  . PHE A 1 42 ? -5.46792  0.48192   22.75077  1.000 12.59468 ? 41  PHE A CB  1 
ATOM   321  C CG  . PHE A 1 42 ? -6.76343  -0.20872  22.44941  1.000 11.99517 ? 41  PHE A CG  1 
ATOM   322  C CD1 . PHE A 1 42 ? -7.92991  0.21331   23.06100  1.000 13.39702 ? 41  PHE A CD1 1 
ATOM   323  C CD2 . PHE A 1 42 ? -6.80786  -1.32011  21.63408  1.000 11.65212 ? 41  PHE A CD2 1 
ATOM   324  C CE1 . PHE A 1 42 ? -9.14419  -0.42839  22.81850  1.000 14.46727 ? 41  PHE A CE1 1 
ATOM   325  C CE2 . PHE A 1 42 ? -8.01617  -1.97979  21.40143  1.000 11.76758 ? 41  PHE A CE2 1 
ATOM   326  C CZ  . PHE A 1 42 ? -9.18292  -1.51886  21.99069  1.000 12.54189 ? 41  PHE A CZ  1 
ATOM   327  N N   . ASN A 1 43 ? -5.14544  -2.40042  24.57839  1.000 10.83072 ? 42  ASN A N   1 
ATOM   328  C CA  . ASN A 1 43 ? -4.97365  -3.84413  24.45280  1.000 11.07818 ? 42  ASN A CA  1 
ATOM   329  C C   . ASN A 1 43 ? -6.27657  -4.47618  24.93649  1.000 12.06059 ? 42  ASN A C   1 
ATOM   330  O O   . ASN A 1 43 ? -6.54332  -4.49584  26.14350  1.000 14.17966 ? 42  ASN A O   1 
ATOM   331  C CB  . ASN A 1 43 ? -3.78368  -4.28275  25.29429  1.000 14.82272 ? 42  ASN A CB  1 
ATOM   332  C CG  . ASN A 1 43 ? -3.38412  -5.72204  25.04881  1.000 16.72657 ? 42  ASN A CG  1 
ATOM   333  O OD1 . ASN A 1 43 ? -4.21513  -6.62936  25.06638  1.000 27.42942 ? 42  ASN A OD1 1 
ATOM   334  N ND2 . ASN A 1 43 ? -2.09452  -5.93882  24.81937  1.000 21.80125 ? 42  ASN A ND2 1 
ATOM   335  N N   . GLU A 1 44 ? -7.08843  -4.96522  24.00366  1.000 11.63406 ? 43  GLU A N   1 
ATOM   336  C CA  . GLU A 1 44 ? -8.39105  -5.52470  24.33202  1.000 12.44387 ? 43  GLU A CA  1 
ATOM   337  C C   . GLU A 1 44 ? -8.68627  -6.66881  23.39464  1.000 11.46628 ? 43  GLU A C   1 
ATOM   338  O O   . GLU A 1 44 ? -8.14242  -6.72352  22.27423  1.000 11.51893 ? 43  GLU A O   1 
ATOM   339  C CB  . GLU A 1 44 ? -9.51187  -4.47895  24.22033  1.000 14.49073 ? 43  GLU A CB  1 
ATOM   340  C CG  . GLU A 1 44 ? -9.39493  -3.27718  25.15113  1.000 15.06099 ? 43  GLU A CG  1 
ATOM   341  C CD  . GLU A 1 44 ? -9.44811  -3.62180  26.63412  1.000 15.80645 ? 43  GLU A CD  1 
ATOM   342  O OE1 . GLU A 1 44 ? -9.85302  -4.74340  27.00282  1.000 19.16642 ? 43  GLU A OE1 1 
ATOM   343  O OE2 . GLU A 1 44 ? -9.07069  -2.74583  27.44445  1.000 21.90677 ? 43  GLU A OE2 1 
ATOM   344  N N   . PRO A 1 45 ? -9.57352  -7.59236  23.76842  1.000 12.14382 ? 44  PRO A N   1 
ATOM   345  C CA  . PRO A 1 45 ? -9.90652  -8.70968  22.88783  1.000 12.98428 ? 44  PRO A CA  1 
ATOM   346  C C   . PRO A 1 45 ? -10.62446 -8.24802  21.62821  1.000 11.90224 ? 44  PRO A C   1 
ATOM   347  O O   . PRO A 1 45 ? -11.43399 -7.31513  21.64136  1.000 12.39950 ? 44  PRO A O   1 
ATOM   348  C CB  . PRO A 1 45 ? -10.83749 -9.58528  23.73832  1.000 15.91948 ? 44  PRO A CB  1 
ATOM   349  C CG  . PRO A 1 45 ? -10.58542 -9.18105  25.14831  1.000 18.45639 ? 44  PRO A CG  1 
ATOM   350  C CD  . PRO A 1 45 ? -10.16977 -7.73925  25.11610  1.000 14.41485 ? 44  PRO A CD  1 
ATOM   351  N N   . GLY A 1 46 ? -10.33928 -8.94337  20.53250  1.000 11.18992 ? 45  GLY A N   1 
ATOM   352  C CA  . GLY A 1 46 ? -11.05754 -8.74027  19.29320  1.000 12.40285 ? 45  GLY A CA  1 
ATOM   353  C C   . GLY A 1 46 ? -10.45256 -9.51295  18.14250  1.000 11.46661 ? 45  GLY A C   1 
ATOM   354  O O   . GLY A 1 46 ? -9.22686  -9.54736  17.98784  1.000 12.65588 ? 45  GLY A O   1 
ATOM   355  N N   . ASP A 1 47 ? -11.30415 -10.14710 17.33828  1.000 12.78734 ? 46  ASP A N   1 
ATOM   356  C CA  . ASP A 1 47 ? -10.89792 -10.71449 16.05990  1.000 12.92226 ? 46  ASP A CA  1 
ATOM   357  C C   . ASP A 1 47 ? -10.96643 -9.70399  14.93475  1.000 12.26772 ? 46  ASP A C   1 
ATOM   358  O O   . ASP A 1 47 ? -10.36722 -9.92533  13.87809  1.000 13.98653 ? 46  ASP A O   1 
ATOM   359  C CB  . ASP A 1 47 ? -11.85530 -11.83143 15.63258  1.000 16.03020 ? 46  ASP A CB  1 
ATOM   360  C CG  . ASP A 1 47 ? -11.55113 -13.15563 16.28099  1.000 17.96514 ? 46  ASP A CG  1 
ATOM   361  O OD1 . ASP A 1 47 ? -10.36090 -13.45074 16.51203  1.000 19.60597 ? 46  ASP A OD1 1 
ATOM   362  O OD2 . ASP A 1 47 ? -12.51096 -13.91225 16.54101  1.000 20.62532 ? 46  ASP A OD2 1 
ATOM   363  N N   . ASN A 1 48 ? -11.73447 -8.63581  15.10887  1.000 10.77428 ? 47  ASN A N   1 
ATOM   364  C CA  . ASN A 1 48 ? -11.91268 -7.64045  14.06970  1.000 11.78678 ? 47  ASN A CA  1 
ATOM   365  C C   . ASN A 1 48 ? -11.92163 -6.27651  14.73287  1.000 8.96431  ? 47  ASN A C   1 
ATOM   366  O O   . ASN A 1 48 ? -12.44546 -6.11833  15.84268  1.000 10.76304 ? 47  ASN A O   1 
ATOM   367  C CB  . ASN A 1 48 ? -13.25242 -7.86142  13.35549  1.000 11.24902 ? 47  ASN A CB  1 
ATOM   368  C CG  . ASN A 1 48 ? -13.55604 -6.78387  12.33740  1.000 12.08144 ? 47  ASN A CG  1 
ATOM   369  O OD1 . ASN A 1 48 ? -14.26508 -5.81366  12.63083  1.000 12.70046 ? 47  ASN A OD1 1 
ATOM   370  N ND2 . ASN A 1 48 ? -13.02566 -6.94501  11.13273  1.000 13.67959 ? 47  ASN A ND2 1 
ATOM   371  N N   . VAL A 1 49 ? -11.35287 -5.29078  14.04600  1.000 9.31770  ? 48  VAL A N   1 
ATOM   372  C CA  . VAL A 1 49 ? -11.25140 -3.94851  14.59550  1.000 9.66394  ? 48  VAL A CA  1 
ATOM   373  C C   . VAL A 1 49 ? -11.57398 -2.91977  13.52184  1.000 9.22837  ? 48  VAL A C   1 
ATOM   374  O O   . VAL A 1 49 ? -11.16640 -3.05606  12.36251  1.000 10.33875 ? 48  VAL A O   1 
ATOM   375  C CB  . VAL A 1 49 ? -9.86245  -3.71503  15.24516  1.000 9.67283  ? 48  VAL A CB  1 
ATOM   376  C CG1 . VAL A 1 49 ? -8.71287  -3.85581  14.22189  1.000 11.18165 ? 48  VAL A CG1 1 
ATOM   377  C CG2 . VAL A 1 49 ? -9.82359  -2.36353  15.93963  1.000 10.88885 ? 48  VAL A CG2 1 
ATOM   378  N N   . SER A 1 50 ? -12.32311 -1.89173  13.90415  1.000 9.57696  ? 49  SER A N   1 
ATOM   379  C CA  . SER A 1 50 ? -12.39962 -0.67323  13.11508  1.000 9.24638  ? 49  SER A CA  1 
ATOM   380  C C   . SER A 1 50 ? -12.18535 0.50205   14.05410  1.000 9.19689  ? 49  SER A C   1 
ATOM   381  O O   . SER A 1 50 ? -12.28190 0.36360   15.27802  1.000 9.49974  ? 49  SER A O   1 
ATOM   382  C CB  . SER A 1 50 ? -13.72715 -0.53337  12.34629  1.000 9.52777  ? 49  SER A CB  1 
ATOM   383  O OG  . SER A 1 50 ? -14.82979 -0.34628  13.22101  1.000 10.10429 ? 49  SER A OG  1 
ATOM   384  N N   . VAL A 1 51 ? -11.86939 1.65982   13.47289  1.000 8.84433  ? 50  VAL A N   1 
ATOM   385  C CA  . VAL A 1 51 ? -11.57288 2.84489   14.26659  1.000 9.12208  ? 50  VAL A CA  1 
ATOM   386  C C   . VAL A 1 51 ? -12.05624 4.08080   13.53013  1.000 9.17758  ? 50  VAL A C   1 
ATOM   387  O O   . VAL A 1 51 ? -12.02664 4.13713   12.29860  1.000 10.60716 ? 50  VAL A O   1 
ATOM   388  C CB  . VAL A 1 51 ? -10.05563 2.94337   14.57919  1.000 8.69936  ? 50  VAL A CB  1 
ATOM   389  C CG1 . VAL A 1 51 ? -9.22516  3.09237   13.29526  1.000 10.50251 ? 50  VAL A CG1 1 
ATOM   390  C CG2 . VAL A 1 51 ? -9.77102  4.07401   15.55295  1.000 9.28714  ? 50  VAL A CG2 1 
ATOM   391  N N   . THR A 1 52 ? -12.49061 5.07904   14.29548  1.000 8.81130  ? 51  THR A N   1 
ATOM   392  C CA  . THR A 1 52 ? -12.67776 6.42510   13.78882  1.000 9.66463  ? 51  THR A CA  1 
ATOM   393  C C   . THR A 1 52 ? -12.20676 7.38952   14.86754  1.000 9.08984  ? 51  THR A C   1 
ATOM   394  O O   . THR A 1 52 ? -12.16990 7.04429   16.05217  1.000 10.74308 ? 51  THR A O   1 
ATOM   395  C CB  . THR A 1 52 ? -14.14279 6.67505   13.36899  1.000 9.14697  ? 51  THR A CB  1 
ATOM   396  O OG1 . THR A 1 52 ? -14.24044 7.94671   12.71513  1.000 11.04467 ? 51  THR A OG1 1 
ATOM   397  C CG2 . THR A 1 52 ? -15.08174 6.65980   14.56978  1.000 12.07106 ? 51  THR A CG2 1 
ATOM   398  N N   . SER A 1 53 ? -11.81385 8.59272   14.46236  1.000 10.48976 ? 52  SER A N   1 
ATOM   399  C CA  . SER A 1 53 ? -11.40038 9.59989   15.42729  1.000 10.50426 ? 52  SER A CA  1 
ATOM   400  C C   . SER A 1 53 ? -11.78623 10.97678  14.91371  1.000 10.47825 ? 52  SER A C   1 
ATOM   401  O O   . SER A 1 53 ? -11.97291 11.17668  13.71447  1.000 10.52808 ? 52  SER A O   1 
ATOM   402  C CB  . SER A 1 53 ? -9.89436  9.53853   15.69445  1.000 10.45249 ? 52  SER A CB  1 
ATOM   403  O OG  . SER A 1 53 ? -9.13425  9.94437   14.56144  1.000 10.83281 ? 52  SER A OG  1 
ATOM   404  N N   . TRP A 1 54 ? -11.90146 11.92722  15.83511  1.000 10.26563 ? 53  TRP A N   1 
ATOM   405  C CA  . TRP A 1 54 ? -12.25232 13.29537  15.48258  1.000 11.04467 ? 53  TRP A CA  1 
ATOM   406  C C   . TRP A 1 54 ? -11.60820 14.23426  16.48780  1.000 10.42631 ? 53  TRP A C   1 
ATOM   407  O O   . TRP A 1 54 ? -11.39533 13.88519  17.65539  1.000 11.22422 ? 53  TRP A O   1 
ATOM   408  C CB  . TRP A 1 54 ? -13.78142 13.53122  15.42895  1.000 12.28391 ? 53  TRP A CB  1 
ATOM   409  C CG  . TRP A 1 54 ? -14.45852 13.38048  16.75860  1.000 10.92013 ? 53  TRP A CG  1 
ATOM   410  C CD1 . TRP A 1 54 ? -14.74182 14.36786  17.65795  1.000 11.61347 ? 53  TRP A CD1 1 
ATOM   411  C CD2 . TRP A 1 54 ? -14.90618 12.16025  17.34746  1.000 10.16259 ? 53  TRP A CD2 1 
ATOM   412  N NE1 . TRP A 1 54 ? -15.33806 13.83227  18.77458  1.000 12.12656 ? 53  TRP A NE1 1 
ATOM   413  C CE2 . TRP A 1 54 ? -15.45205 12.47783  18.60851  1.000 10.79274 ? 53  TRP A CE2 1 
ATOM   414  C CE3 . TRP A 1 54 ? -14.90651 10.82743  16.92556  1.000 10.63551 ? 53  TRP A CE3 1 
ATOM   415  C CZ2 . TRP A 1 54 ? -15.97249 11.50937  19.45906  1.000 11.36001 ? 53  TRP A CZ2 1 
ATOM   416  C CZ3 . TRP A 1 54 ? -15.43792 9.86668   17.76740  1.000 12.30315 ? 53  TRP A CZ3 1 
ATOM   417  C CH2 . TRP A 1 54 ? -15.96362 10.21119  19.01818  1.000 12.09796 ? 53  TRP A CH2 1 
ATOM   418  N N   . LEU A 1 55 ? -11.34363 15.45120  16.03353  1.000 11.45688 ? 54  LEU A N   1 
ATOM   419  C CA  . LEU A 1 55 ? -10.83297 16.50171  16.89805  1.000 13.05215 ? 54  LEU A CA  1 
ATOM   420  C C   . LEU A 1 55 ? -11.96930 17.39751  17.36315  1.000 13.31783 ? 54  LEU A C   1 
ATOM   421  O O   . LEU A 1 55 ? -12.89451 17.69982  16.60464  1.000 13.96564 ? 54  LEU A O   1 
ATOM   422  C CB  . LEU A 1 55 ? -9.81102  17.36799  16.16614  1.000 13.66616 ? 54  LEU A CB  1 
ATOM   423  C CG  . LEU A 1 55 ? -8.45169  16.72472  15.92567  1.000 12.94143 ? 54  LEU A CG  1 
ATOM   424  C CD1 . LEU A 1 55 ? -7.69115  17.50812  14.86657  1.000 17.37765 ? 54  LEU A CD1 1 
ATOM   425  C CD2 . LEU A 1 55 ? -7.65003  16.65533  17.21211  1.000 15.22430 ? 54  LEU A CD2 1 
ATOM   426  N N   . VAL A 1 56 ? -11.89441 17.81361  18.61329  1.000 12.94400 ? 55  VAL A N   1 
ATOM   427  C CA  . VAL A 1 56 ? -12.68422 18.93180  19.11695  1.000 16.04760 ? 55  VAL A CA  1 
ATOM   428  C C   . VAL A 1 56 ? -11.65492 19.97451  19.53175  1.000 13.03881 ? 55  VAL A C   1 
ATOM   429  O O   . VAL A 1 56 ? -11.00691 19.83322  20.57084  1.000 16.06095 ? 55  VAL A O   1 
ATOM   430  C CB  . VAL A 1 56 ? -13.59382 18.52863  20.28341  1.000 14.27231 ? 55  VAL A CB  1 
ATOM   431  C CG1 . VAL A 1 56 ? -14.38793 19.73526  20.76102  1.000 18.27628 ? 55  VAL A CG1 1 
ATOM   432  C CG2 . VAL A 1 56 ? -14.54469 17.41970  19.85583  1.000 17.28354 ? 55  VAL A CG2 1 
ATOM   433  N N   . GLY A 1 57 ? -11.46349 20.99798  18.70285  1.000 14.48573 ? 56  GLY A N   1 
ATOM   434  C CA  . GLY A 1 57 ? -10.32246 21.87467  18.91604  1.000 15.78397 ? 56  GLY A CA  1 
ATOM   435  C C   . GLY A 1 57 ? -9.05291  21.07121  18.74671  1.000 13.65954 ? 56  GLY A C   1 
ATOM   436  O O   . GLY A 1 57 ? -8.84328  20.41616  17.72336  1.000 14.75711 ? 56  GLY A O   1 
ATOM   437  N N   . SER A 1 58 ? -8.19817  21.08678  19.76317  1.000 14.77799 ? 57  SER A N   1 
ATOM   438  C CA  . SER A 1 58 ? -6.96607  20.31400  19.72016  1.000 15.07999 ? 57  SER A CA  1 
ATOM   439  C C   . SER A 1 58 ? -7.06292  18.97551  20.44135  1.000 15.63466 ? 57  SER A C   1 
ATOM   440  O O   . SER A 1 58 ? -6.05966  18.26071  20.51131  1.000 18.05912 ? 57  SER A O   1 
ATOM   441  C CB  . SER A 1 58 ? -5.78951  21.13448  20.25912  1.000 19.69499 ? 57  SER A CB  1 
ATOM   442  O OG  . SER A 1 58 ? -6.06318  21.61941  21.55927  1.000 21.32478 ? 57  SER A OG  1 
ATOM   443  N N   . ALA A 1 59 ? -8.23051  18.61074  20.96195  1.000 14.74540 ? 58  ALA A N   1 
ATOM   444  C CA  . ALA A 1 59 ? -8.39448  17.37238  21.71652  1.000 14.77946 ? 58  ALA A CA  1 
ATOM   445  C C   . ALA A 1 59 ? -8.85855  16.25018  20.79591  1.000 13.56235 ? 58  ALA A C   1 
ATOM   446  O O   . ALA A 1 59 ? -9.86424  16.38677  20.09423  1.000 12.54312 ? 58  ALA A O   1 
ATOM   447  C CB  . ALA A 1 59 ? -9.41113  17.56455  22.84272  1.000 18.79455 ? 58  ALA A CB  1 
ATOM   448  N N   . ILE A 1 60 ? -8.14030  15.13865  20.81768  1.000 11.68480 ? 59  ILE A N   1 
ATOM   449  C CA  . ILE A 1 60 ? -8.47689  13.98504  19.99042  1.000 11.21836 ? 59  ILE A CA  1 
ATOM   450  C C   . ILE A 1 60 ? -9.44522  13.08310  20.74150  1.000 10.31540 ? 59  ILE A C   1 
ATOM   451  O O   . ILE A 1 60 ? -9.33860  12.88278  21.95810  1.000 11.96118 ? 59  ILE A O   1 
ATOM   452  C CB  . ILE A 1 60 ? -7.20673  13.21853  19.56805  1.000 12.29783 ? 59  ILE A CB  1 
ATOM   453  C CG1 . ILE A 1 60 ? -7.54425  12.15782  18.52020  1.000 13.11593 ? 59  ILE A CG1 1 
ATOM   454  C CG2 . ILE A 1 60 ? -6.52934  12.57368  20.76825  1.000 14.35283 ? 59  ILE A CG2 1 
ATOM   455  C CD1 . ILE A 1 60 ? -8.07360  12.72965  17.23196  1.000 13.58771 ? 59  ILE A CD1 1 
ATOM   456  N N   . HIS A 1 61 ? -10.40221 12.53825  20.00517  1.000 10.86201 ? 60  HIS A N   1 
ATOM   457  C CA  . HIS A 1 61 ? -11.32145 11.53662  20.51560  1.000 10.21558 ? 60  HIS A CA  1 
ATOM   458  C C   . HIS A 1 61 ? -11.23572 10.34911  19.57699  1.000 9.97585  ? 60  HIS A C   1 
ATOM   459  O O   . HIS A 1 61 ? -11.35057 10.51952  18.36043  1.000 11.30832 ? 60  HIS A O   1 
ATOM   460  C CB  . HIS A 1 61 ? -12.73555 12.11584  20.55814  1.000 11.67030 ? 60  HIS A CB  1 
ATOM   461  C CG  . HIS A 1 61 ? -12.84945 13.28397  21.47952  1.000 11.48458 ? 60  HIS A CG  1 
ATOM   462  N ND1 . HIS A 1 61 ? -13.21611 13.15640  22.79974  1.000 13.38455 ? 60  HIS A ND1 1 
ATOM   463  C CD2 . HIS A 1 61 ? -12.56433 14.59509  21.29191  1.000 13.89014 ? 60  HIS A CD2 1 
ATOM   464  C CE1 . HIS A 1 61 ? -13.17687 14.34340  23.38142  1.000 13.74234 ? 60  HIS A CE1 1 
ATOM   465  N NE2 . HIS A 1 61 ? -12.79438 15.23448  22.48557  1.000 15.37688 ? 60  HIS A NE2 1 
ATOM   466  N N   . ILE A 1 62 ? -11.03930 9.15473   20.13069  1.000 9.22859  ? 61  ILE A N   1 
ATOM   467  C CA  . ILE A 1 62 ? -10.87787 7.94785   19.33321  1.000 8.99707  ? 61  ILE A CA  1 
ATOM   468  C C   . ILE A 1 62 ? -11.94614 6.95246   19.74771  1.000 8.65977  ? 61  ILE A C   1 
ATOM   469  O O   . ILE A 1 62 ? -12.23108 6.80485   20.94103  1.000 9.37693  ? 61  ILE A O   1 
ATOM   470  C CB  . ILE A 1 62 ? -9.48154  7.31309   19.50801  1.000 8.82166  ? 61  ILE A CB  1 
ATOM   471  C CG1 . ILE A 1 62 ? -8.35849  8.35632   19.39854  1.000 10.38362 ? 61  ILE A CG1 1 
ATOM   472  C CG2 . ILE A 1 62 ? -9.27955  6.21971   18.47110  1.000 10.13244 ? 61  ILE A CG2 1 
ATOM   473  C CD1 . ILE A 1 62 ? -6.98677  7.83112   19.80052  1.000 11.96914 ? 61  ILE A CD1 1 
ATOM   474  N N   . ARG A 1 63 ? -12.52011 6.25653   18.77194  1.000 9.13314  ? 62  ARG A N   1 
ATOM   475  C CA  . ARG A 1 63 ? -13.45001 5.16847   19.04198  1.000 9.23462  ? 62  ARG A CA  1 
ATOM   476  C C   . ARG A 1 63 ? -12.95862 3.94343   18.29231  1.000 8.24691  ? 62  ARG A C   1 
ATOM   477  O O   . ARG A 1 63 ? -12.81881 3.97430   17.06086  1.000 9.53741  ? 62  ARG A O   1 
ATOM   478  C CB  . ARG A 1 63 ? -14.86743 5.52210   18.59700  1.000 8.50713  ? 62  ARG A CB  1 
ATOM   479  C CG  . ARG A 1 63 ? -15.47558 6.67661   19.37760  1.000 10.32018 ? 62  ARG A CG  1 
ATOM   480  C CD  . ARG A 1 63 ? -15.70983 6.34242   20.85460  1.000 9.82899  ? 62  ARG A CD  1 
ATOM   481  N NE  . ARG A 1 63 ? -16.29412 7.47087   21.57522  1.000 10.37146 ? 62  ARG A NE  1 
ATOM   482  C CZ  . ARG A 1 63 ? -15.60519 8.47945   22.08744  1.000 10.55488 ? 62  ARG A CZ  1 
ATOM   483  N NH1 . ARG A 1 63 ? -14.28288 8.51735   22.02782  1.000 10.64739 ? 62  ARG A NH1 1 
ATOM   484  N NH2 . ARG A 1 63 ? -16.26071 9.47606   22.68154  1.000 12.00586 ? 62  ARG A NH2 1 
ATOM   485  N N   . VAL A 1 64 ? -12.72507 2.86713   19.02866  1.000 8.66022  ? 63  VAL A N   1 
ATOM   486  C CA  . VAL A 1 64 ? -12.29443 1.58456   18.49042  1.000 9.25294  ? 63  VAL A CA  1 
ATOM   487  C C   . VAL A 1 64 ? -13.43036 0.59082   18.67165  1.000 9.02185  ? 63  VAL A C   1 
ATOM   488  O O   . VAL A 1 64 ? -13.93792 0.42311   19.79027  1.000 10.46134 ? 63  VAL A O   1 
ATOM   489  C CB  . VAL A 1 64 ? -11.02141 1.09793   19.20860  1.000 9.24120  ? 63  VAL A CB  1 
ATOM   490  C CG1 . VAL A 1 64 ? -10.66652 -0.30240  18.75021  1.000 12.54547 ? 63  VAL A CG1 1 
ATOM   491  C CG2 . VAL A 1 64 ? -9.86988  2.05685   18.93464  1.000 11.92571 ? 63  VAL A CG2 1 
ATOM   492  N N   . TYR A 1 65 ? -13.81066 -0.08078  17.59372  1.000 8.96553  ? 64  TYR A N   1 
ATOM   493  C CA  . TYR A 1 65 ? -14.89058 -1.06112  17.62166  1.000 9.83791  ? 64  TYR A CA  1 
ATOM   494  C C   . TYR A 1 65 ? -14.26507 -2.44233  17.50827  1.000 8.75318  ? 64  TYR A C   1 
ATOM   495  O O   . TYR A 1 65 ? -13.73551 -2.80001  16.45095  1.000 9.98035  ? 64  TYR A O   1 
ATOM   496  C CB  . TYR A 1 65 ? -15.93702 -0.76947  16.53093  1.000 9.07341  ? 64  TYR A CB  1 
ATOM   497  C CG  . TYR A 1 65 ? -16.54385 0.58994   16.79140  1.000 8.94581  ? 64  TYR A CG  1 
ATOM   498  C CD1 . TYR A 1 65 ? -17.60043 0.74156   17.68051  1.000 8.92855  ? 64  TYR A CD1 1 
ATOM   499  C CD2 . TYR A 1 65 ? -16.01413 1.73385   16.21418  1.000 8.58685  ? 64  TYR A CD2 1 
ATOM   500  C CE1 . TYR A 1 65 ? -18.09608 1.99112   17.98934  1.000 8.37478  ? 64  TYR A CE1 1 
ATOM   501  C CE2 . TYR A 1 65 ? -16.49993 2.98615   16.53245  1.000 9.32554  ? 64  TYR A CE2 1 
ATOM   502  C CZ  . TYR A 1 65 ? -17.55749 3.11198   17.40761  1.000 8.20481  ? 64  TYR A CZ  1 
ATOM   503  O OH  . TYR A 1 65 ? -18.00523 4.36026   17.71925  1.000 9.41107  ? 64  TYR A OH  1 
ATOM   504  N N   . ALA A 1 66 ? -14.31282 -3.20374  18.60314  1.000 10.01159 ? 65  ALA A N   1 
ATOM   505  C CA  . ALA A 1 66 ? -13.65131 -4.49878  18.72239  1.000 9.80172  ? 65  ALA A CA  1 
ATOM   506  C C   . ALA A 1 66 ? -14.71947 -5.58063  18.69799  1.000 10.61158 ? 65  ALA A C   1 
ATOM   507  O O   . ALA A 1 66 ? -15.63859 -5.56147  19.52406  1.000 11.82650 ? 65  ALA A O   1 
ATOM   508  C CB  . ALA A 1 66 ? -12.89088 -4.57436  20.04497  1.000 10.43957 ? 65  ALA A CB  1 
ATOM   509  N N   . SER A 1 67 ? -14.61490 -6.52185  17.76423  1.000 10.39335 ? 66  SER A N   1 
ATOM   510  C CA  . SER A 1 67 ? -15.63582 -7.55599  17.62763  1.000 10.46822 ? 66  SER A CA  1 
ATOM   511  C C   . SER A 1 67 ? -15.05408 -8.94301  17.84687  1.000 11.38499 ? 66  SER A C   1 
ATOM   512  O O   . SER A 1 67 ? -13.99449 -9.27621  17.30004  1.000 11.35038 ? 66  SER A O   1 
ATOM   513  C CB  . SER A 1 67 ? -16.34758 -7.50657  16.27445  1.000 12.24834 ? 66  SER A CB  1 
ATOM   514  O OG  . SER A 1 67 ? -16.96730 -6.24547  16.08613  1.000 11.64861 ? 66  SER A OG  1 
ATOM   515  N N   . THR A 1 68 ? -15.76427 -9.73945  18.64496  1.000 12.03227 ? 67  THR A N   1 
ATOM   516  C CA  . THR A 1 68 ? -15.50606 -11.16437 18.82421  1.000 11.67998 ? 67  THR A CA  1 
ATOM   517  C C   . THR A 1 68 ? -16.84876 -11.86550 18.68913  1.000 12.69880 ? 67  THR A C   1 
ATOM   518  O O   . THR A 1 68 ? -17.79891 -11.53178 19.40594  1.000 13.57736 ? 67  THR A O   1 
ATOM   519  C CB  . THR A 1 68 ? -14.90131 -11.44479 20.20378  1.000 13.49117 ? 67  THR A CB  1 
ATOM   520  O OG1 . THR A 1 68 ? -13.67912 -10.71471 20.35426  1.000 14.07022 ? 67  THR A OG1 1 
ATOM   521  C CG2 . THR A 1 68 ? -14.59863 -12.93073 20.36581  1.000 14.16684 ? 67  THR A CG2 1 
ATOM   522  N N   . GLY A 1 69 ? -16.93974 -12.81035 17.76021  1.000 13.13924 ? 68  GLY A N   1 
ATOM   523  C CA  . GLY A 1 69 ? -18.24413 -13.38697 17.47268  1.000 13.77292 ? 68  GLY A CA  1 
ATOM   524  C C   . GLY A 1 69 ? -19.17274 -12.30758 16.95007  1.000 13.14766 ? 68  GLY A C   1 
ATOM   525  O O   . GLY A 1 69 ? -18.80213 -11.49617 16.09499  1.000 13.86329 ? 68  GLY A O   1 
ATOM   526  N N   . THR A 1 70 ? -20.39305 -12.26717 17.47513  1.000 14.26674 ? 69  THR A N   1 
ATOM   527  C CA  . THR A 1 70 ? -21.35750 -11.24397 17.08832  1.000 14.50932 ? 69  THR A CA  1 
ATOM   528  C C   . THR A 1 70 ? -21.38317 -10.06128 18.04616  1.000 14.23585 ? 69  THR A C   1 
ATOM   529  O O   . THR A 1 70 ? -22.24433 -9.18696  17.91084  1.000 16.57275 ? 69  THR A O   1 
ATOM   530  C CB  . THR A 1 70 ? -22.75792 -11.83947 16.95862  1.000 18.05011 ? 69  THR A CB  1 
ATOM   531  O OG1 . THR A 1 70 ? -23.12047 -12.45321 18.19901  1.000 20.21270 ? 69  THR A OG1 1 
ATOM   532  C CG2 . THR A 1 70 ? -22.79588 -12.87698 15.85017  1.000 19.76223 ? 69  THR A CG2 1 
ATOM   533  N N   . THR A 1 71 ? -20.45058 -9.99431  18.99184  1.000 12.40858 ? 70  THR A N   1 
ATOM   534  C CA  . THR A 1 71 ? -20.43152 -8.93789  19.99734  1.000 13.90084 ? 70  THR A CA  1 
ATOM   535  C C   . THR A 1 71 ? -19.36307 -7.89986  19.66426  1.000 11.67778 ? 70  THR A C   1 
ATOM   536  O O   . THR A 1 71 ? -18.16584 -8.20917  19.65320  1.000 11.64583 ? 70  THR A O   1 
ATOM   537  C CB  . THR A 1 71 ? -20.16659 -9.51244  21.38681  1.000 14.81303 ? 70  THR A CB  1 
ATOM   538  O OG1 . THR A 1 71 ? -21.18501 -10.46861 21.71169  1.000 19.45219 ? 70  THR A OG1 1 
ATOM   539  C CG2 . THR A 1 71 ? -20.15766 -8.39710  22.43378  1.000 20.19489 ? 70  THR A CG2 1 
ATOM   540  N N   . THR A 1 72 ? -19.79278 -6.66192  19.45969  1.000 11.68195 ? 71  THR A N   1 
ATOM   541  C CA  . THR A 1 72 ? -18.90704 -5.53463  19.19731  1.000 11.81729 ? 71  THR A CA  1 
ATOM   542  C C   . THR A 1 72 ? -18.87380 -4.66302  20.44115  1.000 10.31180 ? 71  THR A C   1 
ATOM   543  O O   . THR A 1 72 ? -19.92963 -4.20338  20.90125  1.000 12.68496 ? 71  THR A O   1 
ATOM   544  C CB  . THR A 1 72 ? -19.42413 -4.70483  18.02168  1.000 11.38760 ? 71  THR A CB  1 
ATOM   545  O OG1 . THR A 1 72 ? -19.48824 -5.51704  16.84310  1.000 12.54385 ? 71  THR A OG1 1 
ATOM   546  C CG2 . THR A 1 72 ? -18.50842 -3.50270  17.76871  1.000 12.90115 ? 71  THR A CG2 1 
ATOM   547  N N   . THR A 1 73 ? -17.67559 -4.42822  20.97070  1.000 10.92281 ? 72  THR A N   1 
ATOM   548  C CA  . THR A 1 73 ? -17.46588 -3.54534  22.10852  1.000 10.16900 ? 72  THR A CA  1 
ATOM   549  C C   . THR A 1 73 ? -16.79405 -2.26916  21.61728  1.000 8.92352  ? 72  THR A C   1 
ATOM   550  O O   . THR A 1 73 ? -15.77417 -2.33054  20.92573  1.000 10.91991 ? 72  THR A O   1 
ATOM   551  C CB  . THR A 1 73 ? -16.57136 -4.22769  23.14752  1.000 12.52938 ? 72  THR A CB  1 
ATOM   552  O OG1 . THR A 1 73 ? -17.16501 -5.46815  23.55801  1.000 13.20394 ? 72  THR A OG1 1 
ATOM   553  C CG2 . THR A 1 73 ? -16.37229 -3.34470  24.36365  1.000 13.72993 ? 72  THR A CG2 1 
ATOM   554  N N   . GLU A 1 74 ? -17.33116 -1.12206  22.01200  1.000 8.83627  ? 73  GLU A N   1 
ATOM   555  C CA  . GLU A 1 74 ? -16.74916 0.17276   21.68659  1.000 9.90354  ? 73  GLU A CA  1 
ATOM   556  C C   . GLU A 1 74 ? -15.82714 0.60691   22.81761  1.000 9.37834  ? 73  GLU A C   1 
ATOM   557  O O   . GLU A 1 74 ? -16.20505 0.53741   23.99657  1.000 10.23121 ? 73  GLU A O   1 
ATOM   558  C CB  . GLU A 1 74 ? -17.85510 1.21143   21.51428  1.000 10.15931 ? 73  GLU A CB  1 
ATOM   559  C CG  . GLU A 1 74 ? -17.39217 2.63766   21.25065  1.000 9.49557  ? 73  GLU A CG  1 
ATOM   560  C CD  . GLU A 1 74 ? -18.54575 3.61791   21.30843  1.000 10.18518 ? 73  GLU A CD  1 
ATOM   561  O OE1 . GLU A 1 74 ? -19.33717 3.51204   22.26554  1.000 9.95205  ? 73  GLU A OE1 1 
ATOM   562  O OE2 . GLU A 1 74 ? -18.66322 4.48487   20.41187  1.000 10.36905 ? 73  GLU A OE2 1 
ATOM   563  N N   . TRP A 1 75 ? -14.64022 1.07657   22.45416  1.000 9.01434  ? 74  TRP A N   1 
ATOM   564  C CA  . TRP A 1 75 ? -13.66817 1.59259   23.40228  1.000 9.62258  ? 74  TRP A CA  1 
ATOM   565  C C   . TRP A 1 75 ? -13.39412 3.04242   23.04496  1.000 8.57904  ? 74  TRP A C   1 
ATOM   566  O O   . TRP A 1 75 ? -13.26737 3.38617   21.86421  1.000 10.43839 ? 74  TRP A O   1 
ATOM   567  C CB  . TRP A 1 75 ? -12.37816 0.77522   23.32898  1.000 9.81483  ? 74  TRP A CB  1 
ATOM   568  C CG  . TRP A 1 75 ? -12.57104 -0.62274  23.81663  1.000 9.47038  ? 74  TRP A CG  1 
ATOM   569  C CD1 . TRP A 1 75 ? -12.76219 -1.74943  23.07097  1.000 10.00649 ? 74  TRP A CD1 1 
ATOM   570  C CD2 . TRP A 1 75 ? -12.60184 -1.03168  25.18064  1.000 10.71854 ? 74  TRP A CD2 1 
ATOM   571  N NE1 . TRP A 1 75 ? -12.92323 -2.84055  23.89238  1.000 11.49150 ? 74  TRP A NE1 1 
ATOM   572  C CE2 . TRP A 1 75 ? -12.82319 -2.42401  25.19448  1.000 12.07146 ? 74  TRP A CE2 1 
ATOM   573  C CE3 . TRP A 1 75 ? -12.45509 -0.35540  26.39569  1.000 11.96032 ? 74  TRP A CE3 1 
ATOM   574  C CZ2 . TRP A 1 75 ? -12.89776 -3.15555  26.37874  1.000 15.85369 ? 74  TRP A CZ2 1 
ATOM   575  C CZ3 . TRP A 1 75 ? -12.52952 -1.08640  27.57655  1.000 15.50492 ? 74  TRP A CZ3 1 
ATOM   576  C CH2 . TRP A 1 75 ? -12.75123 -2.46915  27.55452  1.000 17.01948 ? 74  TRP A CH2 1 
ATOM   577  N N   . CYS A 1 76 ? -13.29164 3.89276   24.05404  1.000 8.97666  ? 75  CYS A N   1 
ATOM   578  C CA  . CYS A 1 76 ? -13.31120 5.33568   23.86840  1.000 9.17508  ? 75  CYS A CA  1 
ATOM   579  C C   . CYS A 1 76 ? -12.07415 5.95958   24.49122  1.000 10.46598 ? 75  CYS A C   1 
ATOM   580  O O   . CYS A 1 76 ? -11.78304 5.73077   25.67253  1.000 10.67755 ? 75  CYS A O   1 
ATOM   581  C CB  . CYS A 1 76 ? -14.53057 5.93916   24.56423  1.000 10.00261 ? 75  CYS A CB  1 
ATOM   582  S SG  . CYS A 1 76 ? -16.09197 5.18816   24.10531  1.000 10.93793 ? 75  CYS A SG  1 
ATOM   583  N N   . TRP A 1 77 ? -11.39431 6.80069   23.71912  1.000 9.90054  ? 76  TRP A N   1 
ATOM   584  C CA  . TRP A 1 77 ? -10.35174 7.67374   24.23504  1.000 11.33489 ? 76  TRP A CA  1 
ATOM   585  C C   . TRP A 1 77 ? -10.88038 9.09759   24.19153  1.000 12.26671 ? 76  TRP A C   1 
ATOM   586  O O   . TRP A 1 77 ? -11.17380 9.62227   23.10898  1.000 11.75324 ? 76  TRP A O   1 
ATOM   587  C CB  . TRP A 1 77 ? -9.08291  7.58792   23.39745  1.000 12.05322 ? 76  TRP A CB  1 
ATOM   588  C CG  . TRP A 1 77 ? -8.04155  8.52400   23.90945  1.000 12.08649 ? 76  TRP A CG  1 
ATOM   589  C CD1 . TRP A 1 77 ? -7.89559  9.84614   23.61088  1.000 12.47204 ? 76  TRP A CD1 1 
ATOM   590  C CD2 . TRP A 1 77 ? -7.00734  8.20020   24.83626  1.000 11.92076 ? 76  TRP A CD2 1 
ATOM   591  N NE1 . TRP A 1 77 ? -6.81024  10.36191  24.29283  1.000 14.15672 ? 76  TRP A NE1 1 
ATOM   592  C CE2 . TRP A 1 77 ? -6.26467  9.37184   25.06308  1.000 13.09990 ? 76  TRP A CE2 1 
ATOM   593  C CE3 . TRP A 1 77 ? -6.64768  7.03060   25.51006  1.000 12.15387 ? 76  TRP A CE3 1 
ATOM   594  C CZ2 . TRP A 1 77 ? -5.16113  9.40296   25.91439  1.000 14.02708 ? 76  TRP A CZ2 1 
ATOM   595  C CZ3 . TRP A 1 77 ? -5.56162  7.06414   26.36460  1.000 13.40977 ? 76  TRP A CZ3 1 
ATOM   596  C CH2 . TRP A 1 77 ? -4.83304  8.24484   26.55839  1.000 15.71083 ? 76  TRP A CH2 1 
ATOM   597  N N   . ASP A 1 78 ? -10.99425 9.71444   25.37261  1.000 13.41775 ? 77  ASP A N   1 
ATOM   598  C CA  . ASP A 1 78 ? -11.49113 11.07684  25.51403  1.000 15.02330 ? 77  ASP A CA  1 
ATOM   599  C C   . ASP A 1 78 ? -10.62844 11.88131  26.48027  1.000 19.63812 ? 77  ASP A C   1 
ATOM   600  O O   . ASP A 1 78 ? -11.10026 12.88282  27.03177  1.000 23.42630 ? 77  ASP A O   1 
ATOM   601  C CB  . ASP A 1 78 ? -12.94995 11.08378  25.98519  1.000 16.70533 ? 77  ASP A CB  1 
ATOM   602  C CG  . ASP A 1 78 ? -13.88369 10.38516  25.01036  1.000 16.09664 ? 77  ASP A CG  1 
ATOM   603  O OD1 . ASP A 1 78 ? -14.06428 10.87735  23.88051  1.000 13.92572 ? 77  ASP A OD1 1 
ATOM   604  O OD2 . ASP A 1 78 ? -14.41400 9.31872   25.36945  1.000 20.48000 ? 77  ASP A OD2 1 
ATOM   605  N N   . GLY A 1 79 ? -9.39045  11.45599  26.71564  1.000 22.16447 ? 78  GLY A N   1 
ATOM   606  C CA  . GLY A 1 79 ? -8.47472  12.16263  27.58553  1.000 26.43748 ? 78  GLY A CA  1 
ATOM   607  C C   . GLY A 1 79 ? -8.28581  11.55384  28.96020  1.000 32.22975 ? 78  GLY A C   1 
ATOM   608  O O   . GLY A 1 79 ? -7.45219  12.05192  29.72558  1.000 37.51967 ? 78  GLY A O   1 
ATOM   609  N N   . ASN A 1 80 ? -9.02813  10.50322  29.30242  1.000 24.55857 ? 79  ASN A N   1 
ATOM   610  C CA  . ASN A 1 80 ? -8.94514  9.87610   30.62015  1.000 32.24657 ? 79  ASN A CA  1 
ATOM   611  C C   . ASN A 1 80 ? -8.75422  8.37642   30.47736  1.000 23.88550 ? 79  ASN A C   1 
ATOM   612  O O   . ASN A 1 80 ? -9.45857  7.57056   31.09022  1.000 25.17137 ? 79  ASN A O   1 
ATOM   613  C CB  . ASN A 1 80 ? -10.18944 10.17263  31.44715  1.000 31.94776 ? 79  ASN A CB  1 
ATOM   614  C CG  . ASN A 1 80 ? -10.64460 11.60682  31.31221  1.000 45.91848 ? 79  ASN A CG  1 
ATOM   615  O OD1 . ASN A 1 80 ? -11.78159 11.87296  30.92689  1.000 54.30138 ? 79  ASN A OD1 1 
ATOM   616  N ND2 . ASN A 1 80 ? -9.75446  12.54331  31.62068  1.000 49.27772 ? 79  ASN A ND2 1 
ATOM   617  N N   . GLY A 1 81 ? -7.79291  7.98546   29.64904  1.000 22.70054 ? 80  GLY A N   1 
ATOM   618  C CA  . GLY A 1 81 ? -7.58992  6.58497   29.33767  1.000 17.45048 ? 80  GLY A CA  1 
ATOM   619  C C   . GLY A 1 81 ? -8.72224  6.02958   28.48704  1.000 13.33955 ? 80  GLY A C   1 
ATOM   620  O O   . GLY A 1 81 ? -9.65532  6.72211   28.08400  1.000 20.69948 ? 80  GLY A O   1 
ATOM   621  N N   . TRP A 1 82 ? -8.62056  4.74076   28.20826  1.000 11.54234 ? 81  TRP A N   1 
ATOM   622  C CA  . TRP A 1 82 ? -9.65360  4.06206   27.43614  1.000 11.77875 ? 81  TRP A CA  1 
ATOM   623  C C   . TRP A 1 82 ? -10.80718 3.65534   28.34129  1.000 11.68294 ? 81  TRP A C   1 
ATOM   624  O O   . TRP A 1 82 ? -10.59531 3.07635   29.40910  1.000 15.14427 ? 81  TRP A O   1 
ATOM   625  C CB  . TRP A 1 82 ? -9.06488  2.82547   26.76363  1.000 12.79133 ? 81  TRP A CB  1 
ATOM   626  C CG  . TRP A 1 82 ? -8.10323  3.17350   25.66676  1.000 10.21614 ? 81  TRP A CG  1 
ATOM   627  C CD1 . TRP A 1 82 ? -6.73474  3.24228   25.74603  1.000 10.10499 ? 81  TRP A CD1 1 
ATOM   628  C CD2 . TRP A 1 82 ? -8.44678  3.52146   24.32239  1.000 9.26405  ? 81  TRP A CD2 1 
ATOM   629  N NE1 . TRP A 1 82 ? -6.21940  3.60897   24.53569  1.000 10.95373 ? 81  TRP A NE1 1 
ATOM   630  C CE2 . TRP A 1 82 ? -7.24323  3.78364   23.64214  1.000 9.27381  ? 81  TRP A CE2 1 
ATOM   631  C CE3 . TRP A 1 82 ? -9.65975  3.62501   23.62190  1.000 10.35176 ? 81  TRP A CE3 1 
ATOM   632  C CZ2 . TRP A 1 82 ? -7.20999  4.13737   22.29795  1.000 10.02437 ? 81  TRP A CZ2 1 
ATOM   633  C CZ3 . TRP A 1 82 ? -9.62651  3.97818   22.29294  1.000 10.70000 ? 81  TRP A CZ3 1 
ATOM   634  C CH2 . TRP A 1 82 ? -8.40944  4.23058   21.64102  1.000 9.88014  ? 81  TRP A CH2 1 
ATOM   635  N N   . THR A 1 83 ? -12.03319 3.93116   27.90044  1.000 11.63368 ? 82  THR A N   1 
ATOM   636  C CA  . THR A 1 83 ? -13.23301 3.58283   28.64932  1.000 11.34119 ? 82  THR A CA  1 
ATOM   637  C C   . THR A 1 83 ? -14.18886 2.83415   27.73009  1.000 11.08755 ? 82  THR A C   1 
ATOM   638  O O   . THR A 1 83 ? -14.20343 3.05393   26.51748  1.000 11.82630 ? 82  THR A O   1 
ATOM   639  C CB  . THR A 1 83 ? -13.93350 4.84068   29.23120  1.000 14.28345 ? 82  THR A CB  1 
ATOM   640  O OG1 . THR A 1 83 ? -14.48772 5.63088   28.16999  1.000 13.90291 ? 82  THR A OG1 1 
ATOM   641  C CG2 . THR A 1 83 ? -12.96569 5.68590   30.04629  1.000 17.41897 ? 82  THR A CG2 1 
ATOM   642  N N   . LYS A 1 84 ? -14.99420 1.94448   28.30297  1.000 11.32701 ? 83  LYS A N   1 
ATOM   643  C CA  . LYS A 1 84 ? -15.98895 1.24099   27.50382  1.000 13.05564 ? 83  LYS A CA  1 
ATOM   644  C C   . LYS A 1 84 ? -17.12661 2.18175   27.13708  1.000 11.43409 ? 83  LYS A C   1 
ATOM   645  O O   . LYS A 1 84 ? -17.69472 2.85001   28.00282  1.000 12.94760 ? 83  LYS A O   1 
ATOM   646  C CB  . LYS A 1 84 ? -16.56431 0.07410   28.29896  1.000 16.14192 ? 83  LYS A CB  1 
ATOM   647  C CG  . LYS A 1 84 ? -15.85124 -1.24214  28.10649  1.000 24.02369 ? 83  LYS A CG  1 
ATOM   648  C CD  . LYS A 1 84 ? -16.82360 -2.41555  28.07314  1.000 24.94416 ? 83  LYS A CD  1 
ATOM   649  C CE  . LYS A 1 84 ? -17.72182 -2.43173  29.29659  1.000 27.82607 ? 83  LYS A CE  1 
ATOM   650  N NZ  . LYS A 1 84 ? -17.95685 -3.82056  29.77570  1.000 37.05747 ? 83  LYS A NZ  1 
ATOM   651  N N   . GLY A 1 85 ? -17.47485 2.21752   25.85457  1.000 11.35922 ? 84  GLY A N   1 
ATOM   652  C CA  . GLY A 1 85 ? -18.54822 3.07274   25.39643  1.000 12.71587 ? 84  GLY A CA  1 
ATOM   653  C C   . GLY A 1 85 ? -19.91350 2.41243   25.44857  1.000 11.83664 ? 84  GLY A C   1 
ATOM   654  O O   . GLY A 1 85 ? -20.04749 1.21855   25.71214  1.000 11.37686 ? 84  GLY A O   1 
ATOM   655  N N   . ALA A 1 86 ? -20.93073 3.21936   25.14243  1.000 10.48815 ? 85  ALA A N   1 
ATOM   656  C CA  . ALA A 1 86 ? -22.32462 2.80419   25.21330  1.000 11.37717 ? 85  ALA A CA  1 
ATOM   657  C C   . ALA A 1 86 ? -22.78924 1.99445   24.00760  1.000 11.30760 ? 85  ALA A C   1 
ATOM   658  O O   . ALA A 1 86 ? -23.90048 1.45577   24.05867  1.000 11.56680 ? 85  ALA A O   1 
ATOM   659  C CB  . ALA A 1 86 ? -23.23905 4.01986   25.37451  1.000 13.01965 ? 85  ALA A CB  1 
ATOM   660  N N   . TYR A 1 87 ? -21.99185 1.89582   22.94349  1.000 10.57214 ? 86  TYR A N   1 
ATOM   661  C CA  . TYR A 1 87 ? -22.42758 1.22062   21.72332  1.000 9.76318  ? 86  TYR A CA  1 
ATOM   662  C C   . TYR A 1 87 ? -22.96708 -0.16553  22.03028  1.000 11.01619 ? 86  TYR A C   1 
ATOM   663  O O   . TYR A 1 87 ? -22.35234 -0.94640  22.76061  1.000 11.23013 ? 86  TYR A O   1 
ATOM   664  C CB  . TYR A 1 87 ? -21.24331 1.06967   20.76814  1.000 9.93551  ? 86  TYR A CB  1 
ATOM   665  C CG  . TYR A 1 87 ? -21.57748 0.28791   19.51036  1.000 9.47970  ? 86  TYR A CG  1 
ATOM   666  C CD1 . TYR A 1 87 ? -21.46946 -1.10066  19.47152  1.000 10.38946 ? 86  TYR A CD1 1 
ATOM   667  C CD2 . TYR A 1 87 ? -21.99538 0.94339   18.35661  1.000 9.72756  ? 86  TYR A CD2 1 
ATOM   668  C CE1 . TYR A 1 87 ? -21.79588 -1.80869  18.32177  1.000 11.15834 ? 86  TYR A CE1 1 
ATOM   669  C CE2 . TYR A 1 87 ? -22.31212 0.24472   17.20500  1.000 9.30312  ? 86  TYR A CE2 1 
ATOM   670  C CZ  . TYR A 1 87 ? -22.20976 -1.11447  17.19444  1.000 10.53360 ? 86  TYR A CZ  1 
ATOM   671  O OH  . TYR A 1 87 ? -22.50888 -1.79383  16.03846  1.000 11.89609 ? 86  TYR A OH  1 
ATOM   672  N N   . THR A 1 88 ? -24.11856 -0.46915  21.44516  1.000 10.63333 ? 87  THR A N   1 
ATOM   673  C CA  . THR A 1 88 ? -24.63353 -1.82290  21.39273  1.000 11.17327 ? 87  THR A CA  1 
ATOM   674  C C   . THR A 1 88 ? -25.13793 -2.06503  19.98329  1.000 13.06684 ? 87  THR A C   1 
ATOM   675  O O   . THR A 1 88 ? -25.43602 -1.12656  19.24274  1.000 11.76501 ? 87  THR A O   1 
ATOM   676  C CB  . THR A 1 88 ? -25.81979 -2.03773  22.34461  1.000 14.01556 ? 87  THR A CB  1 
ATOM   677  O OG1 . THR A 1 88 ? -26.84962 -1.10538  22.01615  1.000 13.35192 ? 87  THR A OG1 1 
ATOM   678  C CG2 . THR A 1 88 ? -25.42034 -1.85502  23.80664  1.000 16.14313 ? 87  THR A CG2 1 
ATOM   679  N N   . ALA A 1 89 ? -25.24738 -3.34643  19.64194  1.000 13.44400 ? 88  ALA A N   1 
ATOM   680  C CA  . ALA A 1 89 ? -25.85287 -3.80133  18.40359  1.000 15.98452 ? 88  ALA A CA  1 
ATOM   681  C C   . ALA A 1 89 ? -26.47010 -5.16446  18.66458  1.000 30.74327 ? 88  ALA A C   1 
ATOM   682  O O   . ALA A 1 89 ? -26.02450 -5.89927  19.55023  1.000 34.11454 ? 88  ALA A O   1 
ATOM   683  C CB  . ALA A 1 89 ? -24.80420 -3.92474  17.29869  1.000 18.61893 ? 88  ALA A CB  1 
ATOM   684  N N   . THR A 1 90 ? -27.49884 -5.49702  17.89236  1.000 36.11290 ? 89  THR A N   1 
ATOM   685  C CA  . THR A 1 90 ? -28.19806 -6.76989  18.03366  1.000 39.04273 ? 89  THR A CA  1 
ATOM   686  C C   . THR A 1 90 ? -27.86471 -7.65374  16.83473  1.000 35.44592 ? 89  THR A C   1 
ATOM   687  O O   . THR A 1 90 ? -28.66618 -7.84815  15.91974  1.000 40.69712 ? 89  THR A O   1 
ATOM   688  C CB  . THR A 1 90 ? -29.70179 -6.53324  18.18306  1.000 41.00244 ? 89  THR A CB  1 
ATOM   689  O OG1 . THR A 1 90 ? -29.92584 -5.55881  19.20890  1.000 50.71630 ? 89  THR A OG1 1 
ATOM   690  C CG2 . THR A 1 90 ? -30.40797 -7.82488  18.57263  1.000 49.13219 ? 89  THR A CG2 1 
ATOM   691  N N   . ASN A 1 91 ? -26.65181 -8.19761  16.85239  1.000 31.40739 ? 90  ASN A N   1 
ATOM   692  C CA  . ASN A 1 91 ? -26.18042 -9.07465  15.78887  1.000 36.63364 ? 90  ASN A CA  1 
ATOM   693  C C   . ASN A 1 91 ? -26.54894 -10.52449 16.10646  1.000 36.07535 ? 90  ASN A C   1 
ATOM   694  O O   . ASN A 1 91 ? -26.44055 -11.40976 15.25684  1.000 37.70084 ? 90  ASN A O   1 
ATOM   695  C CB  . ASN A 1 91 ? -24.66191 -8.93394  15.61228  1.000 38.44323 ? 90  ASN A CB  1 
ATOM   696  C CG  . ASN A 1 91 ? -24.22924 -7.49404  15.34930  1.000 27.49502 ? 90  ASN A CG  1 
ATOM   697  O OD1 . ASN A 1 91 ? -24.88010 -6.76493  14.59567  1.000 36.50664 ? 90  ASN A OD1 1 
ATOM   698  N ND2 . ASN A 1 91 ? -23.12383 -7.07894  15.97452  1.000 20.59522 ? 90  ASN A ND2 1 
ATOM   699  N N   . MET B 1 1  ? -17.86946 -18.83929 15.93231  1.000 24.48296 ? 0   MET B N   1 
ATOM   700  C CA  . MET B 1 1  ? -17.47784 -18.93793 14.53034  1.000 27.94411 ? 0   MET B CA  1 
ATOM   701  C C   . MET B 1 1  ? -16.76087 -17.66057 14.10878  1.000 26.81197 ? 0   MET B C   1 
ATOM   702  O O   . MET B 1 1  ? -16.21105 -16.96281 14.95461  1.000 31.05744 ? 0   MET B O   1 
ATOM   703  C CB  . MET B 1 1  ? -18.69921 -19.21493 13.65549  1.000 33.42123 ? 0   MET B CB  1 
ATOM   704  C CG  . MET B 1 1  ? -19.33340 -20.57015 13.94020  1.000 20.74766 ? 0   MET B CG  1 
ATOM   705  S SD  . MET B 1 1  ? -20.92694 -20.79506 13.14295  1.000 37.38874 ? 0   MET B SD  1 
ATOM   706  C CE  . MET B 1 1  ? -21.27750 -22.48858 13.61141  1.000 18.23386 ? 0   MET B CE  1 
ATOM   707  N N   . LYS B 1 2  ? -16.75426 -17.35457 12.81264  1.000 20.12438 ? 1   LYS B N   1 
ATOM   708  C CA  . LYS B 1 2  ? -16.07079 -16.15477 12.34552  1.000 21.56520 ? 1   LYS B CA  1 
ATOM   709  C C   . LYS B 1 2  ? -16.75802 -14.90812 12.89171  1.000 20.47154 ? 1   LYS B C   1 
ATOM   710  O O   . LYS B 1 2  ? -17.98711 -14.79874 12.86635  1.000 22.59316 ? 1   LYS B O   1 
ATOM   711  C CB  . LYS B 1 2  ? -16.04490 -16.11207 10.81913  1.000 27.37565 ? 1   LYS B CB  1 
ATOM   712  C CG  . LYS B 1 2  ? -15.24613 -14.94403 10.26205  1.000 36.15772 ? 1   LYS B CG  1 
ATOM   713  C CD  . LYS B 1 2  ? -15.43889 -14.79430 8.76293   1.000 40.12027 ? 1   LYS B CD  1 
ATOM   714  C CE  . LYS B 1 2  ? -14.66803 -13.59836 8.22682   1.000 44.50327 ? 1   LYS B CE  1 
ATOM   715  N NZ  . LYS B 1 2  ? -13.20215 -13.73398 8.45724   1.000 44.71483 ? 1   LYS B NZ  1 
ATOM   716  N N   . SER B 1 3  ? -15.95905 -13.96603 13.37798  1.000 15.95787 ? 2   SER B N   1 
ATOM   717  C CA  . SER B 1 3  ? -16.49710 -12.74552 13.95885  1.000 15.70732 ? 2   SER B CA  1 
ATOM   718  C C   . SER B 1 3  ? -17.08480 -11.83483 12.88664  1.000 15.50972 ? 2   SER B C   1 
ATOM   719  O O   . SER B 1 3  ? -16.68048 -11.86315 11.71958  1.000 17.09067 ? 2   SER B O   1 
ATOM   720  C CB  . SER B 1 3  ? -15.40068 -12.00108 14.71447  1.000 16.33243 ? 2   SER B CB  1 
ATOM   721  O OG  . SER B 1 3  ? -14.91982 -12.78286 15.79102  1.000 17.81866 ? 2   SER B OG  1 
ATOM   722  N N   . VAL B 1 4  ? -18.05959 -11.01924 13.30027  1.000 13.71179 ? 3   VAL B N   1 
ATOM   723  C CA  . VAL B 1 4  ? -18.56175 -9.95804  12.44229  1.000 14.32096 ? 3   VAL B CA  1 
ATOM   724  C C   . VAL B 1 4  ? -17.43900 -8.97169  12.12553  1.000 13.41929 ? 3   VAL B C   1 
ATOM   725  O O   . VAL B 1 4  ? -16.42448 -8.88991  12.82510  1.000 14.75973 ? 3   VAL B O   1 
ATOM   726  C CB  . VAL B 1 4  ? -19.76122 -9.24329  13.08429  1.000 13.93436 ? 3   VAL B CB  1 
ATOM   727  C CG1 . VAL B 1 4  ? -20.90094 -10.22730 13.32695  1.000 15.45046 ? 3   VAL B CG1 1 
ATOM   728  C CG2 . VAL B 1 4  ? -19.34479 -8.52717  14.37620  1.000 13.88039 ? 3   VAL B CG2 1 
ATOM   729  N N   A GLN B 1 5  ? -17.62147 -8.23665  11.03215  0.519 12.79218 ? 4   GLN B N   1 
ATOM   730  N N   B GLN B 1 5  ? -17.63951 -8.19630  11.06326  0.481 12.78579 ? 4   GLN B N   1 
ATOM   731  C CA  A GLN B 1 5  ? -16.66618 -7.24916  10.55648  0.519 12.20875 ? 4   GLN B CA  1 
ATOM   732  C CA  B GLN B 1 5  ? -16.64106 -7.25742  10.56833  0.481 12.27036 ? 4   GLN B CA  1 
ATOM   733  C C   A GLN B 1 5  ? -17.33408 -5.88554  10.59650  0.519 11.57221 ? 4   GLN B C   1 
ATOM   734  C C   B GLN B 1 5  ? -17.26873 -5.87471  10.46960  0.481 11.67725 ? 4   GLN B C   1 
ATOM   735  O O   A GLN B 1 5  ? -18.50808 -5.75428  10.24073  0.519 11.42603 ? 4   GLN B O   1 
ATOM   736  O O   B GLN B 1 5  ? -18.34808 -5.72243  9.88898   0.481 11.23061 ? 4   GLN B O   1 
ATOM   737  C CB  A GLN B 1 5  ? -16.26768 -7.55170  9.11130   0.519 15.53440 ? 4   GLN B CB  1 
ATOM   738  C CB  B GLN B 1 5  ? -16.13284 -7.71441  9.19841   0.481 14.59485 ? 4   GLN B CB  1 
ATOM   739  C CG  A GLN B 1 5  ? -15.95734 -9.01316  8.83464   0.519 16.33815 ? 4   GLN B CG  1 
ATOM   740  C CG  B GLN B 1 5  ? -15.02468 -6.86742  8.60706   0.481 15.36991 ? 4   GLN B CG  1 
ATOM   741  C CD  A GLN B 1 5  ? -14.56882 -9.40127  9.27754   0.519 17.42694 ? 4   GLN B CD  1 
ATOM   742  C CD  B GLN B 1 5  ? -15.54374 -5.78804  7.68285   0.481 15.58093 ? 4   GLN B CD  1 
ATOM   743  O OE1 A GLN B 1 5  ? -13.57852 -8.84337  8.80326   0.519 17.20558 ? 4   GLN B OE1 1 
ATOM   744  O OE1 B GLN B 1 5  ? -16.50450 -6.00050  6.94496   0.481 17.09057 ? 4   GLN B OE1 1 
ATOM   745  N NE2 A GLN B 1 5  ? -14.48430 -10.35371 10.20005  0.519 25.11832 ? 4   GLN B NE2 1 
ATOM   746  N NE2 B GLN B 1 5  ? -14.90866 -4.62100  7.71454   0.481 14.33172 ? 4   GLN B NE2 1 
ATOM   747  N N   . THR B 1 6  ? -16.59691 -4.86836  11.02678  1.000 10.91150 ? 5   THR B N   1 
ATOM   748  C CA  . THR B 1 6  ? -17.15755 -3.52966  11.10277  1.000 10.62458 ? 5   THR B CA  1 
ATOM   749  C C   . THR B 1 6  ? -16.32173 -2.49594  10.36329  1.000 9.70026  ? 5   THR B C   1 
ATOM   750  O O   . THR B 1 6  ? -15.14935 -2.70357  10.03861  1.000 10.78506 ? 5   THR B O   1 
ATOM   751  C CB  . THR B 1 6  ? -17.39181 -3.05892  12.54683  1.000 9.78498  ? 5   THR B CB  1 
ATOM   752  O OG1 . THR B 1 6  ? -16.13654 -2.76216  13.18340  1.000 10.42812 ? 5   THR B OG1 1 
ATOM   753  C CG2 . THR B 1 6  ? -18.19011 -4.08611  13.36276  1.000 12.35151 ? 5   THR B CG2 1 
ATOM   754  N N   . ALA B 1 7  ? -16.95472 -1.35987  10.13188  1.000 9.31528  ? 6   ALA B N   1 
ATOM   755  C CA  . ALA B 1 7  ? -16.32493 -0.15983  9.60980   1.000 9.42157  ? 6   ALA B CA  1 
ATOM   756  C C   . ALA B 1 7  ? -17.00029 1.02181   10.28507  1.000 9.65110  ? 6   ALA B C   1 
ATOM   757  O O   . ALA B 1 7  ? -18.19242 0.96063   10.59774  1.000 10.72963 ? 6   ALA B O   1 
ATOM   758  C CB  . ALA B 1 7  ? -16.47657 -0.06374  8.08884   1.000 12.50601 ? 6   ALA B CB  1 
ATOM   759  N N   . ALA B 1 8  ? -16.26297 2.10196   10.49030  1.000 8.78079  ? 7   ALA B N   1 
ATOM   760  C CA  . ALA B 1 8  ? -16.77539 3.23695   11.24421  1.000 8.82304  ? 7   ALA B CA  1 
ATOM   761  C C   . ALA B 1 8  ? -16.34564 4.54471   10.60691  1.000 9.62662  ? 7   ALA B C   1 
ATOM   762  O O   . ALA B 1 8  ? -15.23747 4.65418   10.07883  1.000 9.84278  ? 7   ALA B O   1 
ATOM   763  C CB  . ALA B 1 8  ? -16.27574 3.20028   12.69583  1.000 11.20528 ? 7   ALA B CB  1 
ATOM   764  N N   . THR B 1 9  ? -17.21128 5.54803   10.70006  1.000 9.35410  ? 8   THR B N   1 
ATOM   765  C CA  . THR B 1 9  ? -16.88393 6.90383   10.29511  1.000 9.65776  ? 8   THR B CA  1 
ATOM   766  C C   . THR B 1 9  ? -17.54856 7.87519   11.25933  1.000 10.21244 ? 8   THR B C   1 
ATOM   767  O O   . THR B 1 9  ? -18.48300 7.51869   11.98171  1.000 10.77175 ? 8   THR B O   1 
ATOM   768  C CB  . THR B 1 9  ? -17.31459 7.16068   8.84000   1.000 10.74235 ? 8   THR B CB  1 
ATOM   769  O OG1 . THR B 1 9  ? -16.73833 8.37357   8.35983   1.000 11.82272 ? 8   THR B OG1 1 
ATOM   770  C CG2 . THR B 1 9  ? -18.83005 7.26963   8.72215   1.000 11.88591 ? 8   THR B CG2 1 
ATOM   771  N N   . SER B 1 10 ? -17.06061 9.11080   11.26904  1.000 9.29626  ? 9   SER B N   1 
ATOM   772  C CA  . SER B 1 10 ? -17.56828 10.12034  12.18398  1.000 10.90340 ? 9   SER B CA  1 
ATOM   773  C C   . SER B 1 10 ? -17.39692 11.49472  11.55688  1.000 10.70776 ? 9   SER B C   1 
ATOM   774  O O   . SER B 1 10 ? -16.54556 11.69838  10.68788  1.000 11.44367 ? 9   SER B O   1 
ATOM   775  C CB  . SER B 1 10 ? -16.85690 10.07398  13.54372  1.000 10.64959 ? 9   SER B CB  1 
ATOM   776  O OG  . SER B 1 10 ? -15.45950 10.29688  13.40230  1.000 11.20451 ? 9   SER B OG  1 
ATOM   777  N N   . TRP B 1 11 ? -18.20068 12.45324  12.02713  1.000 12.28114 ? 10  TRP B N   1 
ATOM   778  C CA  . TRP B 1 11 ? -18.07985 13.81259  11.51900  1.000 11.07424 ? 10  TRP B CA  1 
ATOM   779  C C   . TRP B 1 11 ? -18.52543 14.83686  12.55021  1.000 13.33530 ? 10  TRP B C   1 
ATOM   780  O O   . TRP B 1 11 ? -19.37524 14.56455  13.40197  1.000 12.82251 ? 10  TRP B O   1 
ATOM   781  C CB  . TRP B 1 11 ? -18.84621 14.02650  10.20758  1.000 14.64962 ? 10  TRP B CB  1 
ATOM   782  C CG  . TRP B 1 11 ? -20.33753 13.83706  10.26458  1.000 13.87937 ? 10  TRP B CG  1 
ATOM   783  C CD1 . TRP B 1 11 ? -21.27729 14.79991  10.48267  1.000 14.23644 ? 10  TRP B CD1 1 
ATOM   784  C CD2 . TRP B 1 11 ? -21.05219 12.62161  10.04004  1.000 12.14692 ? 10  TRP B CD2 1 
ATOM   785  N NE1 . TRP B 1 11 ? -22.53415 14.25571  10.42308  1.000 14.26277 ? 10  TRP B NE1 1 
ATOM   786  C CE2 . TRP B 1 11 ? -22.42632 12.91992  10.14326  1.000 13.32947 ? 10  TRP B CE2 1 
ATOM   787  C CE3 . TRP B 1 11 ? -20.66840 11.30741  9.76115   1.000 12.65347 ? 10  TRP B CE3 1 
ATOM   788  C CZ2 . TRP B 1 11 ? -23.41363 11.95135  9.99422   1.000 14.19784 ? 10  TRP B CZ2 1 
ATOM   789  C CZ3 . TRP B 1 11 ? -21.64916 10.34948  9.60084   1.000 13.18013 ? 10  TRP B CZ3 1 
ATOM   790  C CH2 . TRP B 1 11 ? -23.01013 10.67400  9.72150   1.000 13.09035 ? 10  TRP B CH2 1 
ATOM   791  N N   . GLY B 1 12 ? -17.97037 16.03832  12.42352  1.000 13.94566 ? 11  GLY B N   1 
ATOM   792  C CA  . GLY B 1 12 ? -18.30725 17.14055  13.30322  1.000 15.66030 ? 11  GLY B CA  1 
ATOM   793  C C   . GLY B 1 12 ? -17.76917 16.96170  14.71539  1.000 14.54662 ? 11  GLY B C   1 
ATOM   794  O O   . GLY B 1 12 ? -16.93438 16.10680  15.00185  1.000 16.57317 ? 11  GLY B O   1 
ATOM   795  N N   . THR B 1 13 ? -18.27107 17.80671  15.61277  1.000 15.14252 ? 12  THR B N   1 
ATOM   796  C CA  . THR B 1 13 ? -17.76878 17.83729  16.97692  1.000 16.55705 ? 12  THR B CA  1 
ATOM   797  C C   . THR B 1 13 ? -18.71943 17.23969  18.00350  1.000 15.25866 ? 12  THR B C   1 
ATOM   798  O O   . THR B 1 13 ? -18.31937 17.07285  19.16028  1.000 20.14284 ? 12  THR B O   1 
ATOM   799  C CB  . THR B 1 13 ? -17.38903 19.27000  17.37618  1.000 17.81394 ? 12  THR B CB  1 
ATOM   800  O OG1 . THR B 1 13 ? -18.52306 20.12574  17.19950  1.000 19.82614 ? 12  THR B OG1 1 
ATOM   801  C CG2 . THR B 1 13 ? -16.23317 19.77011  16.51645  1.000 21.00145 ? 12  THR B CG2 1 
ATOM   802  N N   . VAL B 1 14 ? -19.95496 16.90761  17.62004  1.000 15.89312 ? 13  VAL B N   1 
ATOM   803  C CA  . VAL B 1 14 ? -20.85668 16.23519  18.55554  1.000 18.20247 ? 13  VAL B CA  1 
ATOM   804  C C   . VAL B 1 14 ? -20.28170 14.92699  19.08859  1.000 16.13192 ? 13  VAL B C   1 
ATOM   805  O O   . VAL B 1 14 ? -20.24237 14.75174  20.31586  1.000 17.88128 ? 13  VAL B O   1 
ATOM   806  C CB  . VAL B 1 14 ? -22.26967 16.10717  17.94650  1.000 15.92953 ? 13  VAL B CB  1 
ATOM   807  C CG1 . VAL B 1 14 ? -23.17945 15.33872  18.89007  1.000 17.49549 ? 13  VAL B CG1 1 
ATOM   808  C CG2 . VAL B 1 14 ? -22.83237 17.48343  17.62545  1.000 19.29430 ? 13  VAL B CG2 1 
ATOM   809  N N   . PRO B 1 15 ? -19.82283 13.98357  18.25245  1.000 14.30076 ? 14  PRO B N   1 
ATOM   810  C CA  . PRO B 1 15 ? -19.87953 13.93432  16.79673  1.000 12.58669 ? 14  PRO B CA  1 
ATOM   811  C C   . PRO B 1 15 ? -21.09253 13.12194  16.40191  1.000 12.47045 ? 14  PRO B C   1 
ATOM   812  O O   . PRO B 1 15 ? -21.83458 12.62031  17.25207  1.000 13.54222 ? 14  PRO B O   1 
ATOM   813  C CB  . PRO B 1 15 ? -18.61993 13.13490  16.45718  1.000 14.35713 ? 14  PRO B CB  1 
ATOM   814  C CG  . PRO B 1 15 ? -18.63506 12.07774  17.53249  1.000 14.71808 ? 14  PRO B CG  1 
ATOM   815  C CD  . PRO B 1 15 ? -19.10592 12.80844  18.78646  1.000 14.18173 ? 14  PRO B CD  1 
ATOM   816  N N   . SER B 1 16 ? -21.30671 12.98166  15.10778  1.000 12.49757 ? 15  SER B N   1 
ATOM   817  C CA  . SER B 1 16 ? -22.08581 11.87011  14.60645  1.000 12.32786 ? 15  SER B CA  1 
ATOM   818  C C   . SER B 1 16 ? -21.13202 10.73401  14.27977  1.000 9.81846  ? 15  SER B C   1 
ATOM   819  O O   . SER B 1 16 ? -20.02780 10.97199  13.78373  1.000 11.60191 ? 15  SER B O   1 
ATOM   820  C CB  . SER B 1 16 ? -22.84269 12.26877  13.34589  1.000 12.76717 ? 15  SER B CB  1 
ATOM   821  O OG  . SER B 1 16 ? -23.98727 13.06835  13.65215  1.000 14.92924 ? 15  SER B OG  1 
ATOM   822  N N   . ILE B 1 17 ? -21.54808 9.51036   14.57729  1.000 9.82481  ? 16  ILE B N   1 
ATOM   823  C CA  . ILE B 1 17 ? -20.79380 8.30487   14.26303  1.000 10.06977 ? 16  ILE B CA  1 
ATOM   824  C C   . ILE B 1 17 ? -21.74254 7.35357   13.55385  1.000 10.17720 ? 16  ILE B C   1 
ATOM   825  O O   . ILE B 1 17 ? -22.92919 7.27958   13.89760  1.000 9.71003  ? 16  ILE B O   1 
ATOM   826  C CB  . ILE B 1 17 ? -20.25222 7.61673   15.53805  1.000 9.62165  ? 16  ILE B CB  1 
ATOM   827  C CG1 . ILE B 1 17 ? -19.58374 8.61345   16.49301  1.000 11.68232 ? 16  ILE B CG1 1 
ATOM   828  C CG2 . ILE B 1 17 ? -19.30286 6.47158   15.16000  1.000 10.79292 ? 16  ILE B CG2 1 
ATOM   829  C CD1 . ILE B 1 17 ? -19.26909 8.04161   17.87047  1.000 11.89696 ? 16  ILE B CD1 1 
ATOM   830  N N   . ARG B 1 18 ? -21.22232 6.62946   12.56493  1.000 9.53482  ? 17  ARG B N   1 
ATOM   831  C CA  . ARG B 1 18 ? -21.92627 5.52827   11.92646  1.000 10.37342 ? 17  ARG B CA  1 
ATOM   832  C C   . ARG B 1 18 ? -21.02165 4.30839   11.95250  1.000 8.95258  ? 17  ARG B C   1 
ATOM   833  O O   . ARG B 1 18 ? -19.84576 4.39005   11.56989  1.000 10.09606 ? 17  ARG B O   1 
ATOM   834  C CB  . ARG B 1 18 ? -22.30515 5.86540   10.48114  1.000 10.39861 ? 17  ARG B CB  1 
ATOM   835  C CG  . ARG B 1 18 ? -23.21477 7.08501   10.36273  1.000 11.87873 ? 17  ARG B CG  1 
ATOM   836  C CD  . ARG B 1 18 ? -24.58885 6.81896   10.97555  1.000 11.57420 ? 17  ARG B CD  1 
ATOM   837  N NE  . ARG B 1 18 ? -25.51781 7.93578   10.80194  1.000 11.24242 ? 17  ARG B NE  1 
ATOM   838  C CZ  . ARG B 1 18 ? -25.65101 8.94092   11.65441  1.000 11.80293 ? 17  ARG B CZ  1 
ATOM   839  N NH1 . ARG B 1 18 ? -24.91989 9.01497   12.75468  1.000 11.98251 ? 17  ARG B NH1 1 
ATOM   840  N NH2 . ARG B 1 18 ? -26.54478 9.89648   11.40114  1.000 13.54527 ? 17  ARG B NH2 1 
ATOM   841  N N   . VAL B 1 19 ? -21.56017 3.18923   12.41852  1.000 9.11437  ? 18  VAL B N   1 
ATOM   842  C CA  . VAL B 1 19 ? -20.84038 1.92625   12.48615  1.000 10.10291 ? 18  VAL B CA  1 
ATOM   843  C C   . VAL B 1 19 ? -21.60771 0.91503   11.64940  1.000 9.56202  ? 18  VAL B C   1 
ATOM   844  O O   . VAL B 1 19 ? -22.80018 0.68229   11.89816  1.000 10.11108 ? 18  VAL B O   1 
ATOM   845  C CB  . VAL B 1 19 ? -20.70943 1.42322   13.93105  1.000 10.23026 ? 18  VAL B CB  1 
ATOM   846  C CG1 . VAL B 1 19 ? -19.96512 0.09073   13.95538  1.000 10.99106 ? 18  VAL B CG1 1 
ATOM   847  C CG2 . VAL B 1 19 ? -20.01341 2.44973   14.81184  1.000 10.75901 ? 18  VAL B CG2 1 
ATOM   848  N N   . TYR B 1 20 ? -20.92357 0.31296   10.67477  1.000 9.40162  ? 19  TYR B N   1 
ATOM   849  C CA  . TYR B 1 20 ? -21.49236 -0.66589  9.75409   1.000 10.40038 ? 19  TYR B CA  1 
ATOM   850  C C   . TYR B 1 20 ? -20.98182 -2.03855  10.15345  1.000 10.06331 ? 19  TYR B C   1 
ATOM   851  O O   . TYR B 1 20 ? -19.78692 -2.19715  10.40820  1.000 11.07253 ? 19  TYR B O   1 
ATOM   852  C CB  . TYR B 1 20 ? -21.09319 -0.33771  8.29845   1.000 9.89279  ? 19  TYR B CB  1 
ATOM   853  C CG  . TYR B 1 20 ? -21.57590 1.03455   7.94811   1.000 10.15359 ? 19  TYR B CG  1 
ATOM   854  C CD1 . TYR B 1 20 ? -20.82048 2.16053   8.24122   1.000 10.41637 ? 19  TYR B CD1 1 
ATOM   855  C CD2 . TYR B 1 20 ? -22.84320 1.21520   7.41646   1.000 10.06252 ? 19  TYR B CD2 1 
ATOM   856  C CE1 . TYR B 1 20 ? -21.29472 3.41744   7.99253   1.000 10.88758 ? 19  TYR B CE1 1 
ATOM   857  C CE2 . TYR B 1 20 ? -23.32415 2.47006   7.16058   1.000 11.41508 ? 19  TYR B CE2 1 
ATOM   858  C CZ  . TYR B 1 20 ? -22.55834 3.57184   7.45233   1.000 10.89924 ? 19  TYR B CZ  1 
ATOM   859  O OH  . TYR B 1 20 ? -23.01299 4.84813   7.23627   1.000 11.97110 ? 19  TYR B OH  1 
ATOM   860  N N   . THR B 1 21 ? -21.87546 -3.02284  10.22473  1.000 11.09084 ? 20  THR B N   1 
ATOM   861  C CA  . THR B 1 21 ? -21.51574 -4.37722  10.62945  1.000 12.02401 ? 20  THR B CA  1 
ATOM   862  C C   . THR B 1 21 ? -21.94121 -5.36699  9.55956   1.000 11.67412 ? 20  THR B C   1 
ATOM   863  O O   . THR B 1 21 ? -23.13143 -5.45567  9.23546   1.000 11.30713 ? 20  THR B O   1 
ATOM   864  C CB  . THR B 1 21 ? -22.16828 -4.75803  11.95739  1.000 12.31462 ? 20  THR B CB  1 
ATOM   865  O OG1 . THR B 1 21 ? -21.73922 -3.84854  12.97020  1.000 11.20901 ? 20  THR B OG1 1 
ATOM   866  C CG2 . THR B 1 21 ? -21.76581 -6.16130  12.36436  1.000 13.35007 ? 20  THR B CG2 1 
ATOM   867  N N   . ALA B 1 22 ? -20.97900 -6.12907  9.04895   1.000 11.47861 ? 21  ALA B N   1 
ATOM   868  C CA  . ALA B 1 22 ? -21.24789 -7.25026  8.16014   1.000 12.77633 ? 21  ALA B CA  1 
ATOM   869  C C   . ALA B 1 22 ? -21.38632 -8.51316  9.00165   1.000 15.30249 ? 21  ALA B C   1 
ATOM   870  O O   . ALA B 1 22 ? -20.45786 -8.89499  9.72350   1.000 13.99346 ? 21  ALA B O   1 
ATOM   871  C CB  . ALA B 1 22 ? -20.13078 -7.41255  7.13382   1.000 13.79581 ? 21  ALA B CB  1 
ATOM   872  N N   . ASN B 1 23 ? -22.55265 -9.14795  8.91374   1.000 15.53071 ? 22  ASN B N   1 
ATOM   873  C CA  . ASN B 1 23 ? -22.87267 -10.31515 9.72199   1.000 17.97563 ? 22  ASN B CA  1 
ATOM   874  C C   . ASN B 1 23 ? -23.67524 -11.27016 8.85579   1.000 19.44182 ? 22  ASN B C   1 
ATOM   875  O O   . ASN B 1 23 ? -24.77142 -10.92544 8.40696   1.000 18.69182 ? 22  ASN B O   1 
ATOM   876  C CB  . ASN B 1 23 ? -23.68006 -9.89601  10.95133  1.000 17.55889 ? 22  ASN B CB  1 
ATOM   877  C CG  . ASN B 1 23 ? -24.01776 -11.05917 11.85797  1.000 20.99709 ? 22  ASN B CG  1 
ATOM   878  O OD1 . ASN B 1 23 ? -23.48624 -12.15631 11.70818  1.000 23.36265 ? 22  ASN B OD1 1 
ATOM   879  N ND2 . ASN B 1 23 ? -24.89575 -10.81420 12.82046  1.000 27.81077 ? 22  ASN B ND2 1 
ATOM   880  N N   . ASN B 1 24 ? -23.11953 -12.45600 8.61956   1.000 23.71266 ? 23  ASN B N   1 
ATOM   881  C CA  . ASN B 1 24 ? -23.74186 -13.48941 7.78834   1.000 25.02170 ? 23  ASN B CA  1 
ATOM   882  C C   . ASN B 1 24 ? -24.31082 -12.91882 6.48925   1.000 26.81658 ? 23  ASN B C   1 
ATOM   883  O O   . ASN B 1 24 ? -25.47354 -13.12665 6.13565   1.000 25.21651 ? 23  ASN B O   1 
ATOM   884  C CB  . ASN B 1 24 ? -24.78083 -14.29348 8.56388   1.000 30.44897 ? 23  ASN B CB  1 
ATOM   885  C CG  . ASN B 1 24 ? -24.80125 -15.75313 8.15452   1.000 40.20380 ? 23  ASN B CG  1 
ATOM   886  O OD1 . ASN B 1 24 ? -23.82079 -16.26915 7.61421   1.000 44.32676 ? 23  ASN B OD1 1 
ATOM   887  N ND2 . ASN B 1 24 ? -25.91668 -16.42690 8.40811   1.000 48.53814 ? 23  ASN B ND2 1 
ATOM   888  N N   . GLY B 1 25 ? -23.46995 -12.17586 5.77706   1.000 20.41999 ? 24  GLY B N   1 
ATOM   889  C CA  . GLY B 1 25 ? -23.80630 -11.72072 4.44574   1.000 22.37432 ? 24  GLY B CA  1 
ATOM   890  C C   . GLY B 1 25 ? -24.65756 -10.47513 4.37188   1.000 18.07917 ? 24  GLY B C   1 
ATOM   891  O O   . GLY B 1 25 ? -25.04820 -10.07894 3.26868   1.000 19.71088 ? 24  GLY B O   1 
ATOM   892  N N   . LYS B 1 26 ? -24.95208 -9.83417  5.50045   1.000 17.38692 ? 25  LYS B N   1 
ATOM   893  C CA  . LYS B 1 26 ? -25.77457 -8.63428  5.51608   1.000 17.42321 ? 25  LYS B CA  1 
ATOM   894  C C   . LYS B 1 26 ? -25.07238 -7.54108  6.30612   1.000 13.61688 ? 25  LYS B C   1 
ATOM   895  O O   . LYS B 1 26 ? -24.53061 -7.79542  7.38417   1.000 15.64155 ? 25  LYS B O   1 
ATOM   896  C CB  . LYS B 1 26 ? -27.14029 -8.91258  6.15067   1.000 18.97416 ? 25  LYS B CB  1 
ATOM   897  C CG  . LYS B 1 26 ? -28.09851 -7.73935  6.11011   1.000 30.88684 ? 25  LYS B CG  1 
ATOM   898  C CD  . LYS B 1 26 ? -29.41701 -8.10057  6.77714   1.000 38.58598 ? 25  LYS B CD  1 
ATOM   899  C CE  . LYS B 1 26 ? -29.92406 -9.45002  6.28990   1.000 48.28157 ? 25  LYS B CE  1 
ATOM   900  N NZ  . LYS B 1 26 ? -31.25485 -9.78960  6.86393   1.000 64.58647 ? 25  LYS B NZ  1 
ATOM   901  N N   . ILE B 1 27 ? -25.09048 -6.32623  5.77171   1.000 12.28262 ? 26  ILE B N   1 
ATOM   902  C CA  . ILE B 1 27 ? -24.50853 -5.16095  6.43334   1.000 11.76745 ? 26  ILE B CA  1 
ATOM   903  C C   . ILE B 1 27 ? -25.63731 -4.28369  6.94843   1.000 12.67551 ? 26  ILE B C   1 
ATOM   904  O O   . ILE B 1 27 ? -26.53287 -3.90239  6.18302   1.000 13.07042 ? 26  ILE B O   1 
ATOM   905  C CB  . ILE B 1 27 ? -23.59527 -4.36566  5.49077   1.000 13.32668 ? 26  ILE B CB  1 
ATOM   906  C CG1 . ILE B 1 27 ? -22.44980 -5.23981  4.96280   1.000 13.40533 ? 26  ILE B CG1 1 
ATOM   907  C CG2 . ILE B 1 27 ? -23.04694 -3.13965  6.21943   1.000 13.53454 ? 26  ILE B CG2 1 
ATOM   908  C CD1 . ILE B 1 27 ? -21.75459 -4.65540  3.75014   1.000 14.65840 ? 26  ILE B CD1 1 
ATOM   909  N N   . THR B 1 28 ? -25.60050 -3.97919  8.24131   1.000 11.82588 ? 27  THR B N   1 
ATOM   910  C CA  . THR B 1 28 ? -26.51671 -3.05745  8.89336   1.000 12.85325 ? 27  THR B CA  1 
ATOM   911  C C   . THR B 1 28 ? -25.72496 -1.92664  9.54536   1.000 11.67939 ? 27  THR B C   1 
ATOM   912  O O   . THR B 1 28 ? -24.48833 -1.93758  9.57806   1.000 11.22562 ? 27  THR B O   1 
ATOM   913  C CB  . THR B 1 28 ? -27.39750 -3.78518  9.91378   1.000 13.76740 ? 27  THR B CB  1 
ATOM   914  O OG1 . THR B 1 28 ? -26.56889 -4.50376  10.83342  1.000 15.00039 ? 27  THR B OG1 1 
ATOM   915  C CG2 . THR B 1 28 ? -28.34296 -4.75914  9.21289   1.000 17.55341 ? 27  THR B CG2 1 
ATOM   916  N N   . GLU B 1 29 ? -26.45195 -0.93265  10.05354  1.000 10.25731 ? 28  GLU B N   1 
ATOM   917  C CA  . GLU B 1 29 ? -25.87801 0.34534   10.45527  1.000 11.49753 ? 28  GLU B CA  1 
ATOM   918  C C   . GLU B 1 29 ? -26.42662 0.79214   11.80768  1.000 10.70980 ? 28  GLU B C   1 
ATOM   919  O O   . GLU B 1 29 ? -27.64274 0.76598   12.03321  1.000 11.68856 ? 28  GLU B O   1 
ATOM   920  C CB  . GLU B 1 29 ? -26.18739 1.40792   9.38477   1.000 12.52337 ? 28  GLU B CB  1 
ATOM   921  C CG  . GLU B 1 29 ? -25.70863 2.81950   9.68256   1.000 12.41574 ? 28  GLU B CG  1 
ATOM   922  C CD  . GLU B 1 29 ? -26.30607 3.84552   8.72260   1.000 11.37957 ? 28  GLU B CD  1 
ATOM   923  O OE1 . GLU B 1 29 ? -27.52768 3.76299   8.46467   1.000 12.51835 ? 28  GLU B OE1 1 
ATOM   924  O OE2 . GLU B 1 29 ? -25.57703 4.72633   8.21514   1.000 11.98020 ? 28  GLU B OE2 1 
ATOM   925  N N   . ARG B 1 30 ? -25.53469 1.21817   12.69869  1.000 10.16878 ? 29  ARG B N   1 
ATOM   926  C CA  . ARG B 1 30 ? -25.90343 1.85877   13.95206  1.000 11.01743 ? 29  ARG B CA  1 
ATOM   927  C C   . ARG B 1 30 ? -25.39510 3.29301   13.93710  1.000 9.54893  ? 29  ARG B C   1 
ATOM   928  O O   . ARG B 1 30 ? -24.31779 3.58007   13.39179  1.000 10.84002 ? 29  ARG B O   1 
ATOM   929  C CB  . ARG B 1 30 ? -25.37232 1.08848   15.16231  1.000 10.82809 ? 29  ARG B CB  1 
ATOM   930  C CG  . ARG B 1 30 ? -25.96092 -0.31175  15.27253  1.000 12.72216 ? 29  ARG B CG  1 
ATOM   931  C CD  . ARG B 1 30 ? -27.36720 -0.27869  15.86671  1.000 12.24646 ? 29  ARG B CD  1 
ATOM   932  N NE  . ARG B 1 30 ? -27.31366 -0.12825  17.31574  1.000 11.78376 ? 29  ARG B NE  1 
ATOM   933  C CZ  . ARG B 1 30 ? -28.37148 0.09446   18.08612  1.000 11.14220 ? 29  ARG B CZ  1 
ATOM   934  N NH1 . ARG B 1 30 ? -29.57906 0.25290   17.57387  1.000 13.33892 ? 29  ARG B NH1 1 
ATOM   935  N NH2 . ARG B 1 30 ? -28.21122 0.15459   19.40337  1.000 13.47542 ? 29  ARG B NH2 1 
ATOM   936  N N   . CYS B 1 31 ? -26.15726 4.18558   14.57217  1.000 10.23300 ? 30  CYS B N   1 
ATOM   937  C CA  . CYS B 1 31 ? -25.95526 5.62159   14.47310  1.000 9.56698  ? 30  CYS B CA  1 
ATOM   938  C C   . CYS B 1 31 ? -25.91235 6.25606   15.85448  1.000 10.61211 ? 30  CYS B C   1 
ATOM   939  O O   . CYS B 1 31 ? -26.71409 5.91668   16.73700  1.000 11.23451 ? 30  CYS B O   1 
ATOM   940  C CB  . CYS B 1 31 ? -27.10401 6.28618   13.70564  1.000 11.20357 ? 30  CYS B CB  1 
ATOM   941  S SG  . CYS B 1 31 ? -27.56332 5.50607   12.15236  1.000 12.29961 ? 30  CYS B SG  1 
ATOM   942  N N   . TRP B 1 32 ? -25.00393 7.21532   16.01261  1.000 10.28179 ? 31  TRP B N   1 
ATOM   943  C CA  . TRP B 1 32 ? -24.92241 8.05872   17.19372  1.000 11.18050 ? 31  TRP B CA  1 
ATOM   944  C C   . TRP B 1 32 ? -24.90775 9.50162   16.72176  1.000 12.67959 ? 31  TRP B C   1 
ATOM   945  O O   . TRP B 1 32 ? -24.10241 9.85760   15.85553  1.000 11.68079 ? 31  TRP B O   1 
ATOM   946  C CB  . TRP B 1 32 ? -23.61767 7.76792   17.94831  1.000 11.77340 ? 31  TRP B CB  1 
ATOM   947  C CG  . TRP B 1 32 ? -23.34118 8.67742   19.11411  1.000 13.02349 ? 31  TRP B CG  1 
ATOM   948  C CD1 . TRP B 1 32 ? -22.60990 9.83920   19.10977  1.000 13.83167 ? 31  TRP B CD1 1 
ATOM   949  C CD2 . TRP B 1 32 ? -23.74329 8.46697   20.47152  1.000 11.47358 ? 31  TRP B CD2 1 
ATOM   950  N NE1 . TRP B 1 32 ? -22.55430 10.36922  20.37756  1.000 13.38811 ? 31  TRP B NE1 1 
ATOM   951  C CE2 . TRP B 1 32 ? -23.24247 9.54495   21.23051  1.000 11.23934 ? 31  TRP B CE2 1 
ATOM   952  C CE3 . TRP B 1 32 ? -24.46865 7.46788   21.11855  1.000 11.59430 ? 31  TRP B CE3 1 
ATOM   953  C CZ2 . TRP B 1 32 ? -23.46445 9.65873   22.59978  1.000 12.78343 ? 31  TRP B CZ2 1 
ATOM   954  C CZ3 . TRP B 1 32 ? -24.66489 7.57473   22.48487  1.000 12.61425 ? 31  TRP B CZ3 1 
ATOM   955  C CH2 . TRP B 1 32 ? -24.17589 8.66463   23.20728  1.000 13.86161 ? 31  TRP B CH2 1 
ATOM   956  N N   . ASP B 1 33 ? -25.81306 10.32595  17.26622  1.000 11.96921 ? 32  ASP B N   1 
ATOM   957  C CA  . ASP B 1 33 ? -25.80942 11.76169  17.01433  1.000 13.38624 ? 32  ASP B CA  1 
ATOM   958  C C   . ASP B 1 33 ? -25.73004 12.54383  18.31991  1.000 14.10235 ? 32  ASP B C   1 
ATOM   959  O O   . ASP B 1 33 ? -26.19576 13.68442  18.39669  1.000 19.23179 ? 32  ASP B O   1 
ATOM   960  C CB  . ASP B 1 33 ? -27.02086 12.21513  16.19788  1.000 14.91490 ? 32  ASP B CB  1 
ATOM   961  C CG  . ASP B 1 33 ? -27.10415 11.56753  14.82361  1.000 15.62403 ? 32  ASP B CG  1 
ATOM   962  O OD1 . ASP B 1 33 ? -26.08076 11.44540  14.11685  1.000 15.50266 ? 32  ASP B OD1 1 
ATOM   963  O OD2 . ASP B 1 33 ? -28.23598 11.20888  14.42981  1.000 21.60809 ? 32  ASP B OD2 1 
ATOM   964  N N   . GLY B 1 34 ? -25.16398 11.93566  19.35688  1.000 14.80408 ? 33  GLY B N   1 
ATOM   965  C CA  . GLY B 1 34 ? -24.94240 12.59587  20.62319  1.000 16.31044 ? 33  GLY B CA  1 
ATOM   966  C C   . GLY B 1 34 ? -25.89001 12.20067  21.73458  1.000 17.69256 ? 33  GLY B C   1 
ATOM   967  O O   . GLY B 1 34 ? -25.64954 12.58309  22.88978  1.000 23.10948 ? 33  GLY B O   1 
ATOM   968  N N   . LYS B 1 35 ? -26.94851 11.44920  21.43479  1.000 16.18246 ? 34  LYS B N   1 
ATOM   969  C CA  . LYS B 1 35 ? -28.02822 11.21980  22.39383  1.000 18.32380 ? 34  LYS B CA  1 
ATOM   970  C C   . LYS B 1 35 ? -28.49319 9.77111   22.36748  1.000 17.36336 ? 34  LYS B C   1 
ATOM   971  O O   . LYS B 1 35 ? -29.68912 9.49106   22.49473  1.000 18.59935 ? 34  LYS B O   1 
ATOM   972  C CB  . LYS B 1 35 ? -29.21873 12.14737  22.12466  1.000 26.17449 ? 34  LYS B CB  1 
ATOM   973  C CG  . LYS B 1 35 ? -28.88622 13.46608  21.43359  1.000 33.61757 ? 34  LYS B CG  1 
ATOM   974  C CD  . LYS B 1 35 ? -28.23182 14.46979  22.37088  1.000 39.08632 ? 34  LYS B CD  1 
ATOM   975  C CE  . LYS B 1 35 ? -29.15824 14.86874  23.50170  1.000 36.85827 ? 34  LYS B CE  1 
ATOM   976  N NZ  . LYS B 1 35 ? -28.78966 16.20867  24.04372  1.000 38.40455 ? 34  LYS B NZ  1 
ATOM   977  N N   . GLY B 1 36 ? -27.57579 8.83621   22.18699  1.000 14.79084 ? 35  GLY B N   1 
ATOM   978  C CA  . GLY B 1 36 ? -27.95783 7.43938   22.19708  1.000 13.70668 ? 35  GLY B CA  1 
ATOM   979  C C   . GLY B 1 36 ? -27.81131 6.79825   20.82448  1.000 11.10359 ? 35  GLY B C   1 
ATOM   980  O O   . GLY B 1 36 ? -27.94164 7.45220   19.78194  1.000 13.60684 ? 35  GLY B O   1 
ATOM   981  N N   . TRP B 1 37 ? -27.55051 5.49790   20.82323  1.000 11.36658 ? 36  TRP B N   1 
ATOM   982  C CA  . TRP B 1 37 ? -27.40428 4.74617   19.58567  1.000 11.54843 ? 36  TRP B CA  1 
ATOM   983  C C   . TRP B 1 37 ? -28.76000 4.29309   19.07249  1.000 11.13754 ? 36  TRP B C   1 
ATOM   984  O O   . TRP B 1 37 ? -29.63392 3.90363   19.85167  1.000 11.90100 ? 36  TRP B O   1 
ATOM   985  C CB  . TRP B 1 37 ? -26.52542 3.52047   19.81606  1.000 9.87144  ? 36  TRP B CB  1 
ATOM   986  C CG  . TRP B 1 37 ? -25.08239 3.87562   20.01044  1.000 10.18064 ? 36  TRP B CG  1 
ATOM   987  C CD1 . TRP B 1 37 ? -24.44897 4.12332   21.19943  1.000 11.03713 ? 36  TRP B CD1 1 
ATOM   988  C CD2 . TRP B 1 37 ? -24.10122 4.06817   18.98339  1.000 10.70449 ? 36  TRP B CD2 1 
ATOM   989  N NE1 . TRP B 1 37 ? -23.13397 4.44224   20.97331  1.000 10.52702 ? 36  TRP B NE1 1 
ATOM   990  C CE2 . TRP B 1 37 ? -22.89410 4.41562   19.62279  1.000 10.84814 ? 36  TRP B CE2 1 
ATOM   991  C CE3 . TRP B 1 37 ? -24.12315 3.96616   17.58413  1.000 9.69151  ? 36  TRP B CE3 1 
ATOM   992  C CZ2 . TRP B 1 37 ? -21.71935 4.65829   18.91134  1.000 10.35997 ? 36  TRP B CZ2 1 
ATOM   993  C CZ3 . TRP B 1 37 ? -22.95454 4.20109   16.88406  1.000 10.94759 ? 36  TRP B CZ3 1 
ATOM   994  C CH2 . TRP B 1 37 ? -21.77369 4.55095   17.54929  1.000 9.77533  ? 36  TRP B CH2 1 
ATOM   995  N N   . TYR B 1 38 ? -28.91429 4.29801   17.75115  1.000 10.96110 ? 37  TYR B N   1 
ATOM   996  C CA  . TYR B 1 38 ? -30.14394 3.83020   17.11523  1.000 12.31569 ? 37  TYR B CA  1 
ATOM   997  C C   . TYR B 1 38 ? -29.79257 3.20146   15.77023  1.000 10.72386 ? 37  TYR B C   1 
ATOM   998  O O   . TYR B 1 38 ? -28.67826 3.35210   15.26015  1.000 12.53504 ? 37  TYR B O   1 
ATOM   999  C CB  . TYR B 1 38 ? -31.17932 4.95442   16.98287  1.000 12.39788 ? 37  TYR B CB  1 
ATOM   1000 C CG  . TYR B 1 38 ? -30.73412 6.08185   16.08739  1.000 12.74885 ? 37  TYR B CG  1 
ATOM   1001 C CD1 . TYR B 1 38 ? -29.95334 7.12100   16.58015  1.000 15.02421 ? 37  TYR B CD1 1 
ATOM   1002 C CD2 . TYR B 1 38 ? -31.08086 6.10096   14.73915  1.000 12.47330 ? 37  TYR B CD2 1 
ATOM   1003 C CE1 . TYR B 1 38 ? -29.53199 8.15104   15.75681  1.000 14.43173 ? 37  TYR B CE1 1 
ATOM   1004 C CE2 . TYR B 1 38 ? -30.67005 7.12482   13.91593  1.000 15.70431 ? 37  TYR B CE2 1 
ATOM   1005 C CZ  . TYR B 1 38 ? -29.89913 8.14606   14.42667  1.000 13.90867 ? 37  TYR B CZ  1 
ATOM   1006 O OH  . TYR B 1 38 ? -29.48505 9.16213   13.60047  1.000 17.62606 ? 37  TYR B OH  1 
ATOM   1007 N N   . THR B 1 39 ? -30.74427 2.49278   15.18541  1.000 10.90623 ? 38  THR B N   1 
ATOM   1008 C CA  . THR B 1 39 ? -30.49468 1.77049   13.94927  1.000 11.86815 ? 38  THR B CA  1 
ATOM   1009 C C   . THR B 1 39 ? -30.73526 2.66408   12.73912  1.000 12.46991 ? 38  THR B C   1 
ATOM   1010 O O   . THR B 1 39 ? -31.73116 3.39435   12.67773  1.000 12.98216 ? 38  THR B O   1 
ATOM   1011 C CB  . THR B 1 39 ? -31.34788 0.50813   13.91718  1.000 13.13420 ? 38  THR B CB  1 
ATOM   1012 O OG1 . THR B 1 39 ? -30.84128 -0.38584  14.91660  1.000 14.39216 ? 38  THR B OG1 1 
ATOM   1013 C CG2 . THR B 1 39 ? -31.28463 -0.15088  12.55386  1.000 13.82596 ? 38  THR B CG2 1 
ATOM   1014 N N   . GLY B 1 40 ? -29.78928 2.63395   11.79093  1.000 11.26828 ? 39  GLY B N   1 
ATOM   1015 C CA  . GLY B 1 40 ? -29.90778 3.44217   10.59636  1.000 11.92413 ? 39  GLY B CA  1 
ATOM   1016 C C   . GLY B 1 40 ? -30.57432 2.72704   9.43253   1.000 10.82728 ? 39  GLY B C   1 
ATOM   1017 O O   . GLY B 1 40 ? -30.85952 1.53869   9.47327   1.000 11.20134 ? 39  GLY B O   1 
ATOM   1018 N N   . ALA B 1 41 ? -30.77180 3.48515   8.35142   1.000 11.86941 ? 40  ALA B N   1 
ATOM   1019 C CA  . ALA B 1 41 ? -31.46260 2.95718   7.18154   1.000 12.70994 ? 40  ALA B CA  1 
ATOM   1020 C C   . ALA B 1 41 ? -30.59510 2.05960   6.30346   1.000 11.30990 ? 40  ALA B C   1 
ATOM   1021 O O   . ALA B 1 41 ? -31.14337 1.35162   5.45468   1.000 14.05333 ? 40  ALA B O   1 
ATOM   1022 C CB  . ALA B 1 41 ? -32.04490 4.09364   6.33787   1.000 15.98736 ? 40  ALA B CB  1 
ATOM   1023 N N   . PHE B 1 42 ? -29.27457 2.04498   6.47055   1.000 13.47119 ? 41  PHE B N   1 
ATOM   1024 C CA  . PHE B 1 42 ? -28.46432 1.23571   5.57054   1.000 11.95439 ? 41  PHE B CA  1 
ATOM   1025 C C   . PHE B 1 42 ? -28.67888 -0.24788  5.83826   1.000 12.53171 ? 41  PHE B C   1 
ATOM   1026 O O   . PHE B 1 42 ? -28.49093 -0.71979  6.96333   1.000 13.91659 ? 41  PHE B O   1 
ATOM   1027 C CB  . PHE B 1 42 ? -26.98034 1.56699   5.70319   1.000 13.30235 ? 41  PHE B CB  1 
ATOM   1028 C CG  . PHE B 1 42 ? -26.12894 0.83972   4.69880   1.000 14.55836 ? 41  PHE B CG  1 
ATOM   1029 C CD1 . PHE B 1 42 ? -25.93594 1.37030   3.43557   1.000 17.59753 ? 41  PHE B CD1 1 
ATOM   1030 C CD2 . PHE B 1 42 ? -25.58892 -0.40504  4.98216   1.000 13.21886 ? 41  PHE B CD2 1 
ATOM   1031 C CE1 . PHE B 1 42 ? -25.17557 0.69739   2.48870   1.000 18.32484 ? 41  PHE B CE1 1 
ATOM   1032 C CE2 . PHE B 1 42 ? -24.83416 -1.07781  4.03513   1.000 14.94785 ? 41  PHE B CE2 1 
ATOM   1033 C CZ  . PHE B 1 42 ? -24.64027 -0.52424  2.78537   1.000 14.72625 ? 41  PHE B CZ  1 
ATOM   1034 N N   . ASN B 1 43 ? -29.03370 -0.99690  4.79244   1.000 13.42571 ? 42  ASN B N   1 
ATOM   1035 C CA  . ASN B 1 43 ? -29.21903 -2.43862  4.92042   1.000 13.06582 ? 42  ASN B CA  1 
ATOM   1036 C C   . ASN B 1 43 ? -29.02616 -3.02390  3.52089   1.000 15.24032 ? 42  ASN B C   1 
ATOM   1037 O O   . ASN B 1 43 ? -29.93405 -2.94918  2.68697   1.000 17.62277 ? 42  ASN B O   1 
ATOM   1038 C CB  . ASN B 1 43 ? -30.59706 -2.75453  5.48213   1.000 15.82868 ? 42  ASN B CB  1 
ATOM   1039 C CG  . ASN B 1 43 ? -30.76153 -4.21723  5.83749   1.000 20.14817 ? 42  ASN B CG  1 
ATOM   1040 O OD1 . ASN B 1 43 ? -30.42674 -5.10168  5.05043   1.000 24.93837 ? 42  ASN B OD1 1 
ATOM   1041 N ND2 . ASN B 1 43 ? -31.26509 -4.48257  7.03770   1.000 24.25680 ? 42  ASN B ND2 1 
ATOM   1042 N N   . GLU B 1 44 ? -27.85074 -3.58489  3.27242   1.000 14.07437 ? 43  GLU B N   1 
ATOM   1043 C CA  . GLU B 1 44 ? -27.51589 -4.13019  1.96510   1.000 16.50268 ? 43  GLU B CA  1 
ATOM   1044 C C   . GLU B 1 44 ? -26.65215 -5.36450  2.14788   1.000 16.16632 ? 43  GLU B C   1 
ATOM   1045 O O   . GLU B 1 44 ? -26.00775 -5.53201  3.19065   1.000 15.06955 ? 43  GLU B O   1 
ATOM   1046 C CB  . GLU B 1 44 ? -26.77110 -3.11082  1.08775   1.000 18.24111 ? 43  GLU B CB  1 
ATOM   1047 C CG  . GLU B 1 44 ? -27.51536 -1.81071  0.80477   1.000 22.33811 ? 43  GLU B CG  1 
ATOM   1048 C CD  . GLU B 1 44 ? -28.82937 -1.99810  0.05191   1.000 23.15301 ? 43  GLU B CD  1 
ATOM   1049 O OE1 . GLU B 1 44 ? -29.06622 -3.08443  -0.52285  1.000 22.71216 ? 43  GLU B OE1 1 
ATOM   1050 O OE2 . GLU B 1 44 ? -29.63588 -1.04679  0.04980   1.000 26.15604 ? 43  GLU B OE2 1 
ATOM   1051 N N   . PRO B 1 45 ? -26.61548 -6.25449  1.15692   1.000 16.28162 ? 44  PRO B N   1 
ATOM   1052 C CA  . PRO B 1 45 ? -25.78707 -7.45489  1.28070   1.000 16.75987 ? 44  PRO B CA  1 
ATOM   1053 C C   . PRO B 1 45 ? -24.30100 -7.12577  1.28014   1.000 17.23541 ? 44  PRO B C   1 
ATOM   1054 O O   . PRO B 1 45 ? -23.84269 -6.16625  0.65143   1.000 17.02352 ? 44  PRO B O   1 
ATOM   1055 C CB  . PRO B 1 45 ? -26.15471 -8.27203  0.03633   1.000 20.76841 ? 44  PRO B CB  1 
ATOM   1056 C CG  . PRO B 1 45 ? -27.46053 -7.73577  -0.40905  1.000 22.04651 ? 44  PRO B CG  1 
ATOM   1057 C CD  . PRO B 1 45 ? -27.43768 -6.28482  -0.06635  1.000 17.20467 ? 44  PRO B CD  1 
ATOM   1058 N N   . GLY B 1 46 ? -23.54840 -7.95117  1.99875   1.000 17.48093 ? 45  GLY B N   1 
ATOM   1059 C CA  . GLY B 1 46 ? -22.10510 -7.84733  2.00700   1.000 17.09894 ? 45  GLY B CA  1 
ATOM   1060 C C   . GLY B 1 46 ? -21.47864 -8.71098  3.07762   1.000 17.71843 ? 45  GLY B C   1 
ATOM   1061 O O   . GLY B 1 46 ? -22.03591 -8.87288  4.17110   1.000 16.48702 ? 45  GLY B O   1 
ATOM   1062 N N   . ASP B 1 47 ? -20.31029 -9.27148  2.76595   1.000 16.31332 ? 46  ASP B N   1 
ATOM   1063 C CA  . ASP B 1 47 ? -19.48950 -9.97146  3.74241   1.000 16.72227 ? 46  ASP B CA  1 
ATOM   1064 C C   . ASP B 1 47 ? -18.38939 -9.09303  4.31173   1.000 14.88225 ? 46  ASP B C   1 
ATOM   1065 O O   . ASP B 1 47 ? -17.88727 -9.38130  5.40065   1.000 18.51122 ? 46  ASP B O   1 
ATOM   1066 C CB  . ASP B 1 47 ? -18.81464 -11.18555 3.09220   1.000 20.21959 ? 46  ASP B CB  1 
ATOM   1067 C CG  . ASP B 1 47 ? -19.79840 -12.26141 2.68809   1.000 34.38639 ? 46  ASP B CG  1 
ATOM   1068 O OD1 . ASP B 1 47 ? -20.65266 -12.63367 3.51954   1.000 36.01353 ? 46  ASP B OD1 1 
ATOM   1069 O OD2 . ASP B 1 47 ? -19.71000 -12.73816 1.53693   1.000 33.23773 ? 46  ASP B OD2 1 
ATOM   1070 N N   . ASN B 1 48 ? -17.99905 -8.04721  3.58889   1.000 16.43832 ? 47  ASN B N   1 
ATOM   1071 C CA  . ASN B 1 48 ? -16.92796 -7.15386  3.99769   1.000 14.52978 ? 47  ASN B CA  1 
ATOM   1072 C C   . ASN B 1 48 ? -17.38995 -5.73082  3.75418   1.000 12.60179 ? 47  ASN B C   1 
ATOM   1073 O O   . ASN B 1 48 ? -18.14936 -5.47549  2.81812   1.000 14.08549 ? 47  ASN B O   1 
ATOM   1074 C CB  . ASN B 1 48 ? -15.66509 -7.40846  3.17141   1.000 17.64295 ? 47  ASN B CB  1 
ATOM   1075 C CG  . ASN B 1 48 ? -14.58689 -6.38948  3.43909   1.000 17.09561 ? 47  ASN B CG  1 
ATOM   1076 O OD1 . ASN B 1 48 ? -14.39166 -5.44767  2.66786   1.000 18.10539 ? 47  ASN B OD1 1 
ATOM   1077 N ND2 . ASN B 1 48 ? -13.88677 -6.55560  4.55405   1.000 18.72730 ? 47  ASN B ND2 1 
ATOM   1078 N N   . VAL B 1 49 ? -16.94983 -4.80572  4.60534   1.000 13.29688 ? 48  VAL B N   1 
ATOM   1079 C CA  . VAL B 1 49 ? -17.40922 -3.42723  4.51446   1.000 12.52760 ? 48  VAL B CA  1 
ATOM   1080 C C   . VAL B 1 49 ? -16.27392 -2.46921  4.85072   1.000 11.22681 ? 48  VAL B C   1 
ATOM   1081 O O   . VAL B 1 49 ? -15.50386 -2.69590  5.79099   1.000 11.37117 ? 48  VAL B O   1 
ATOM   1082 C CB  . VAL B 1 49 ? -18.66080 -3.17637  5.39416   1.000 12.42137 ? 48  VAL B CB  1 
ATOM   1083 C CG1 . VAL B 1 49 ? -18.36286 -3.42941  6.88811   1.000 13.75605 ? 48  VAL B CG1 1 
ATOM   1084 C CG2 . VAL B 1 49 ? -19.18337 -1.77967  5.17851   1.000 15.82771 ? 48  VAL B CG2 1 
ATOM   1085 N N   . SER B 1 50 ? -16.17609 -1.39326  4.07321   1.000 10.49108 ? 49  SER B N   1 
ATOM   1086 C CA  . SER B 1 50 ? -15.40199 -0.21779  4.43623   1.000 11.46584 ? 49  SER B CA  1 
ATOM   1087 C C   . SER B 1 50 ? -16.25733 1.02076   4.19957   1.000 9.85488  ? 49  SER B C   1 
ATOM   1088 O O   . SER B 1 50 ? -17.30471 0.96346   3.54832   1.000 10.90319 ? 49  SER B O   1 
ATOM   1089 C CB  . SER B 1 50 ? -14.06805 -0.13723  3.67127   1.000 10.44741 ? 49  SER B CB  1 
ATOM   1090 O OG  . SER B 1 50 ? -14.27101 0.09420   2.28502   1.000 11.46426 ? 49  SER B OG  1 
ATOM   1091 N N   . VAL B 1 51 ? -15.82915 2.15404   4.74558   1.000 10.34846 ? 50  VAL B N   1 
ATOM   1092 C CA  . VAL B 1 51 ? -16.61121 3.38328   4.66782   1.000 10.97667 ? 50  VAL B CA  1 
ATOM   1093 C C   . VAL B 1 51 ? -15.68846 4.59091   4.68227   1.000 10.35081 ? 50  VAL B C   1 
ATOM   1094 O O   . VAL B 1 51 ? -14.60772 4.55896   5.27264   1.000 11.45423 ? 50  VAL B O   1 
ATOM   1095 C CB  . VAL B 1 51 ? -17.65828 3.46262   5.81099   1.000 10.04292 ? 50  VAL B CB  1 
ATOM   1096 C CG1 . VAL B 1 51 ? -16.97290 3.57918   7.18042   1.000 11.36164 ? 50  VAL B CG1 1 
ATOM   1097 C CG2 . VAL B 1 51 ? -18.61564 4.63051   5.60068   1.000 11.73804 ? 50  VAL B CG2 1 
ATOM   1098 N N   . THR B 1 52 ? -16.11684 5.66294   4.02161   1.000 11.11759 ? 51  THR B N   1 
ATOM   1099 C CA  . THR B 1 52 ? -15.50881 6.97314   4.17850   1.000 13.31924 ? 51  THR B CA  1 
ATOM   1100 C C   . THR B 1 52 ? -16.62237 8.00970   4.09608   1.000 10.13244 ? 51  THR B C   1 
ATOM   1101 O O   . THR B 1 52 ? -17.71795 7.72462   3.60917   1.000 12.12983 ? 51  THR B O   1 
ATOM   1102 C CB  . THR B 1 52 ? -14.38448 7.19709   3.14563   1.000 11.95989 ? 51  THR B CB  1 
ATOM   1103 O OG1 . THR B 1 52 ? -13.65088 8.38199   3.47398   1.000 13.10739 ? 51  THR B OG1 1 
ATOM   1104 C CG2 . THR B 1 52 ? -14.94872 7.31647   1.73935   1.000 13.16217 ? 51  THR B CG2 1 
ATOM   1105 N N   . SER B 1 53 ? -16.36446 9.20821   4.60583   1.000 11.87144 ? 52  SER B N   1 
ATOM   1106 C CA  . SER B 1 53 ? -17.37088 10.26292  4.56315   1.000 11.83620 ? 52  SER B CA  1 
ATOM   1107 C C   . SER B 1 53 ? -16.68285 11.61664  4.54302   1.000 13.84324 ? 52  SER B C   1 
ATOM   1108 O O   . SER B 1 53 ? -15.53725 11.75788  4.97887   1.000 13.42847 ? 52  SER B O   1 
ATOM   1109 C CB  . SER B 1 53 ? -18.35095 10.17489  5.74621   1.000 13.16090 ? 52  SER B CB  1 
ATOM   1110 O OG  . SER B 1 53 ? -17.70842 10.43285  6.98511   1.000 12.32359 ? 52  SER B OG  1 
ATOM   1111 N N   . TRP B 1 54 ? -17.40276 12.61820  4.03726   1.000 14.45748 ? 53  TRP B N   1 
ATOM   1112 C CA  . TRP B 1 54 ? -16.89125 13.97849  4.01894   1.000 14.48338 ? 53  TRP B CA  1 
ATOM   1113 C C   . TRP B 1 54 ? -18.04872 14.95456  4.17091   1.000 13.95001 ? 53  TRP B C   1 
ATOM   1114 O O   . TRP B 1 54 ? -19.19357 14.64569  3.83627   1.000 15.98695 ? 53  TRP B O   1 
ATOM   1115 C CB  . TRP B 1 54 ? -16.09977 14.28500  2.73456   1.000 16.81953 ? 53  TRP B CB  1 
ATOM   1116 C CG  . TRP B 1 54 ? -16.94181 14.20808  1.49947   1.000 16.71956 ? 53  TRP B CG  1 
ATOM   1117 C CD1 . TRP B 1 54 ? -17.57700 15.24457  0.86878   1.000 19.21817 ? 53  TRP B CD1 1 
ATOM   1118 C CD2 . TRP B 1 54 ? -17.26005 13.02775  0.74933   1.000 15.08513 ? 53  TRP B CD2 1 
ATOM   1119 N NE1 . TRP B 1 54 ? -18.26543 14.77956  -0.22246  1.000 17.93471 ? 53  TRP B NE1 1 
ATOM   1120 C CE2 . TRP B 1 54 ? -18.08947 13.42476  -0.32288  1.000 16.05124 ? 53  TRP B CE2 1 
ATOM   1121 C CE3 . TRP B 1 54 ? -16.92100 11.67415  0.87574   1.000 14.81073 ? 53  TRP B CE3 1 
ATOM   1122 C CZ2 . TRP B 1 54 ? -18.59284 12.51746  -1.25506  1.000 16.53968 ? 53  TRP B CZ2 1 
ATOM   1123 C CZ3 . TRP B 1 54 ? -17.41005 10.77670  -0.05715  1.000 14.75110 ? 53  TRP B CZ3 1 
ATOM   1124 C CH2 . TRP B 1 54 ? -18.24400 11.20274  -1.10873  1.000 16.32668 ? 53  TRP B CH2 1 
ATOM   1125 N N   . LEU B 1 55 ? -17.72543 16.13414  4.68667   1.000 16.82319 ? 54  LEU B N   1 
ATOM   1126 C CA  . LEU B 1 55 ? -18.68390 17.21084  4.86563   1.000 17.38233 ? 54  LEU B CA  1 
ATOM   1127 C C   . LEU B 1 55 ? -18.53684 18.22926  3.74646   1.000 21.50535 ? 54  LEU B C   1 
ATOM   1128 O O   . LEU B 1 55 ? -17.42284 18.55497  3.32529   1.000 22.40108 ? 54  LEU B O   1 
ATOM   1129 C CB  . LEU B 1 55 ? -18.43842 17.92143  6.19595   1.000 20.88946 ? 54  LEU B CB  1 
ATOM   1130 C CG  . LEU B 1 55 ? -18.88499 17.20779  7.46731   1.000 20.20363 ? 54  LEU B CG  1 
ATOM   1131 C CD1 . LEU B 1 55 ? -18.33267 17.90728  8.69775   1.000 19.87856 ? 54  LEU B CD1 1 
ATOM   1132 C CD2 . LEU B 1 55 ? -20.40514 17.15725  7.52308   1.000 21.29590 ? 54  LEU B CD2 1 
ATOM   1133 N N   . VAL B 1 56 ? -19.67196 18.71295  3.26030   1.000 23.08215 ? 55  VAL B N   1 
ATOM   1134 C CA  . VAL B 1 56 ? -19.74577 19.90971  2.43250   1.000 28.47906 ? 55  VAL B CA  1 
ATOM   1135 C C   . VAL B 1 56 ? -20.54965 20.90603  3.25668   1.000 26.45333 ? 55  VAL B C   1 
ATOM   1136 O O   . VAL B 1 56 ? -21.77832 20.79856  3.35405   1.000 27.11106 ? 55  VAL B O   1 
ATOM   1137 C CB  . VAL B 1 56 ? -20.40174 19.63669  1.07589   1.000 34.50537 ? 55  VAL B CB  1 
ATOM   1138 C CG1 . VAL B 1 56 ? -20.57097 20.93437  0.29704   1.000 36.46362 ? 55  VAL B CG1 1 
ATOM   1139 C CG2 . VAL B 1 56 ? -19.57281 18.63661  0.28091   1.000 29.45479 ? 55  VAL B CG2 1 
ATOM   1140 N N   . GLY B 1 57 ? -19.86131 21.85756  3.88071   1.000 28.21192 ? 56  GLY B N   1 
ATOM   1141 C CA  . GLY B 1 57 ? -20.49486 22.68028  4.89017   1.000 30.52077 ? 56  GLY B CA  1 
ATOM   1142 C C   . GLY B 1 57 ? -20.89295 21.83369  6.08141   1.000 31.10681 ? 56  GLY B C   1 
ATOM   1143 O O   . GLY B 1 57 ? -20.03339 21.25171  6.74908   1.000 35.66011 ? 56  GLY B O   1 
ATOM   1144 N N   . SER B 1 58 ? -22.19387 21.73421  6.34797   1.000 33.77500 ? 57  SER B N   1 
ATOM   1145 C CA  . SER B 1 58 ? -22.70384 20.88451  7.41590   1.000 34.17052 ? 57  SER B CA  1 
ATOM   1146 C C   . SER B 1 58 ? -23.41745 19.64491  6.88895   1.000 31.85611 ? 57  SER B C   1 
ATOM   1147 O O   . SER B 1 58 ? -24.03904 18.91986  7.67253   1.000 36.09388 ? 57  SER B O   1 
ATOM   1148 C CB  . SER B 1 58 ? -23.62952 21.67837  8.34023   1.000 40.69122 ? 57  SER B CB  1 
ATOM   1149 O OG  . SER B 1 58 ? -24.86842 21.94599  7.70803   1.000 38.57282 ? 57  SER B OG  1 
ATOM   1150 N N   . ALA B 1 59 ? -23.34924 19.38705  5.58611   1.000 25.64838 ? 58  ALA B N   1 
ATOM   1151 C CA  . ALA B 1 59 ? -24.03209 18.25926  4.96611   1.000 21.66497 ? 58  ALA B CA  1 
ATOM   1152 C C   . ALA B 1 59 ? -23.06308 17.09372  4.82640   1.000 19.74805 ? 58  ALA B C   1 
ATOM   1153 O O   . ALA B 1 59 ? -21.97542 17.25284  4.26359   1.000 22.51855 ? 58  ALA B O   1 
ATOM   1154 C CB  . ALA B 1 59 ? -24.56488 18.65292  3.58841   1.000 29.97231 ? 58  ALA B CB  1 
ATOM   1155 N N   . ILE B 1 60 ? -23.46078 15.92940  5.32535   1.000 20.30395 ? 59  ILE B N   1 
ATOM   1156 C CA  . ILE B 1 60 ? -22.60617 14.74660  5.29497   1.000 17.69713 ? 59  ILE B CA  1 
ATOM   1157 C C   . ILE B 1 60 ? -22.84626 13.97240  4.01005   1.000 16.62608 ? 59  ILE B C   1 
ATOM   1158 O O   . ILE B 1 60 ? -23.97219 13.88877  3.50192   1.000 19.38232 ? 59  ILE B O   1 
ATOM   1159 C CB  . ILE B 1 60 ? -22.82590 13.85848  6.53666   1.000 15.26932 ? 59  ILE B CB  1 
ATOM   1160 C CG1 . ILE B 1 60 ? -21.73632 12.78192  6.62695   1.000 17.16557 ? 59  ILE B CG1 1 
ATOM   1161 C CG2 . ILE B 1 60 ? -24.19324 13.20201  6.49711   1.000 18.76857 ? 59  ILE B CG2 1 
ATOM   1162 C CD1 . ILE B 1 60 ? -20.32002 13.32894  6.73858   1.000 17.93182 ? 59  ILE B CD1 1 
ATOM   1163 N N   . HIS B 1 61 ? -21.76988 13.40196  3.48144   1.000 15.74400 ? 60  HIS B N   1 
ATOM   1164 C CA  . HIS B 1 61 ? -21.82460 12.47732  2.36379   1.000 14.39560 ? 60  HIS B CA  1 
ATOM   1165 C C   . HIS B 1 61 ? -21.06975 11.22975  2.77899   1.000 13.77004 ? 60  HIS B C   1 
ATOM   1166 O O   . HIS B 1 61 ? -19.92955 11.32436  3.24302   1.000 14.08084 ? 60  HIS B O   1 
ATOM   1167 C CB  . HIS B 1 61 ? -21.19087 13.11330  1.12748   1.000 16.26650 ? 60  HIS B CB  1 
ATOM   1168 C CG  . HIS B 1 61 ? -21.90078 14.35365  0.69006   1.000 17.64088 ? 60  HIS B CG  1 
ATOM   1169 N ND1 . HIS B 1 61 ? -22.86602 14.34785  -0.29196  1.000 22.23851 ? 60  HIS B ND1 1 
ATOM   1170 C CD2 . HIS B 1 61 ? -21.84055 15.62396  1.15257   1.000 18.00223 ? 60  HIS B CD2 1 
ATOM   1171 C CE1 . HIS B 1 61 ? -23.34511 15.57017  -0.44214  1.000 24.12041 ? 60  HIS B CE1 1 
ATOM   1172 N NE2 . HIS B 1 61 ? -22.74037 16.36400  0.42217   1.000 22.58488 ? 60  HIS B NE2 1 
ATOM   1173 N N   . ILE B 1 62 ? -21.70349 10.07549  2.63971   1.000 12.53360 ? 61  ILE B N   1 
ATOM   1174 C CA  . ILE B 1 62 ? -21.13741 8.81038   3.09223   1.000 13.24513 ? 61  ILE B CA  1 
ATOM   1175 C C   . ILE B 1 62 ? -21.02734 7.86729   1.90711   1.000 11.95851 ? 61  ILE B C   1 
ATOM   1176 O O   . ILE B 1 62 ? -21.93200 7.80764   1.06720   1.000 12.20125 ? 61  ILE B O   1 
ATOM   1177 C CB  . ILE B 1 62 ? -21.99304 8.16888   4.20461   1.000 13.25468 ? 61  ILE B CB  1 
ATOM   1178 C CG1 . ILE B 1 62 ? -22.36885 9.19823   5.27654   1.000 13.34806 ? 61  ILE B CG1 1 
ATOM   1179 C CG2 . ILE B 1 62 ? -21.25945 6.96007   4.80793   1.000 12.89667 ? 61  ILE B CG2 1 
ATOM   1180 C CD1 . ILE B 1 62 ? -23.40526 8.68279   6.27210   1.000 15.99479 ? 61  ILE B CD1 1 
ATOM   1181 N N   . ARG B 1 63 ? -19.92033 7.12908   1.83724   1.000 12.14294 ? 62  ARG B N   1 
ATOM   1182 C CA  . ARG B 1 63 ? -19.75019 6.08354   0.83822   1.000 10.98666 ? 62  ARG B CA  1 
ATOM   1183 C C   . ARG B 1 63 ? -19.37750 4.78630   1.53907   1.000 11.63447 ? 62  ARG B C   1 
ATOM   1184 O O   . ARG B 1 63 ? -18.36613 4.73314   2.24364   1.000 11.65783 ? 62  ARG B O   1 
ATOM   1185 C CB  . ARG B 1 63 ? -18.67356 6.45696   -0.18861  1.000 13.35758 ? 62  ARG B CB  1 
ATOM   1186 C CG  . ARG B 1 63 ? -18.97793 7.71510   -0.99655  1.000 15.00457 ? 62  ARG B CG  1 
ATOM   1187 C CD  . ARG B 1 63 ? -20.20405 7.53269   -1.88269  1.000 14.73272 ? 62  ARG B CD  1 
ATOM   1188 N NE  . ARG B 1 63 ? -20.49831 8.71368   -2.69308  1.000 15.19612 ? 62  ARG B NE  1 
ATOM   1189 C CZ  . ARG B 1 63 ? -21.27870 9.71488   -2.30833  1.000 16.28427 ? 62  ARG B CZ  1 
ATOM   1190 N NH1 . ARG B 1 63 ? -21.88063 9.70859   -1.12987  1.000 15.64824 ? 62  ARG B NH1 1 
ATOM   1191 N NH2 . ARG B 1 63 ? -21.45683 10.75341  -3.12522  1.000 19.12853 ? 62  ARG B NH2 1 
ATOM   1192 N N   . VAL B 1 64 ? -20.18109 3.74817   1.33927   1.000 11.53143 ? 63  VAL B N   1 
ATOM   1193 C CA  . VAL B 1 64 ? -19.99069 2.43581   1.94628   1.000 11.62697 ? 63  VAL B CA  1 
ATOM   1194 C C   . VAL B 1 64 ? -19.63921 1.45960   0.83692   1.000 10.68683 ? 63  VAL B C   1 
ATOM   1195 O O   . VAL B 1 64 ? -20.36267 1.36916   -0.16583  1.000 12.73288 ? 63  VAL B O   1 
ATOM   1196 C CB  . VAL B 1 64 ? -21.26111 1.96896   2.67869   1.000 12.52174 ? 63  VAL B CB  1 
ATOM   1197 C CG1 . VAL B 1 64 ? -21.11120 0.52695   3.11348   1.000 13.75433 ? 63  VAL B CG1 1 
ATOM   1198 C CG2 . VAL B 1 64 ? -21.56554 2.87171   3.86846   1.000 12.31716 ? 63  VAL B CG2 1 
ATOM   1199 N N   . TYR B 1 65 ? -18.52883 0.74008   1.00197   1.000 11.84620 ? 64  TYR B N   1 
ATOM   1200 C CA  . TYR B 1 65 ? -18.04975 -0.21775  0.00875   1.000 11.29047 ? 64  TYR B CA  1 
ATOM   1201 C C   . TYR B 1 65 ? -18.33720 -1.61618  0.53603   1.000 11.26473 ? 64  TYR B C   1 
ATOM   1202 O O   . TYR B 1 65 ? -17.70838 -2.06345  1.50430   1.000 12.92580 ? 64  TYR B O   1 
ATOM   1203 C CB  . TYR B 1 65 ? -16.56845 0.02528   -0.32693  1.000 11.03833 ? 64  TYR B CB  1 
ATOM   1204 C CG  . TYR B 1 65 ? -16.41564 1.40548   -0.91591  1.000 9.53943  ? 64  TYR B CG  1 
ATOM   1205 C CD1 . TYR B 1 65 ? -16.61812 1.62733   -2.27069  1.000 11.07083 ? 64  TYR B CD1 1 
ATOM   1206 C CD2 . TYR B 1 65 ? -16.15030 2.50008   -0.11068  1.000 10.61787 ? 64  TYR B CD2 1 
ATOM   1207 C CE1 . TYR B 1 65 ? -16.55829 2.89583   -2.79412  1.000 11.30436 ? 64  TYR B CE1 1 
ATOM   1208 C CE2 . TYR B 1 65 ? -16.09092 3.76755   -0.62872  1.000 10.30285 ? 64  TYR B CE2 1 
ATOM   1209 C CZ  . TYR B 1 65 ? -16.30296 3.96457   -1.97281  1.000 12.19636 ? 64  TYR B CZ  1 
ATOM   1210 O OH  . TYR B 1 65 ? -16.24108 5.24443   -2.46052  1.000 14.07880 ? 64  TYR B OH  1 
ATOM   1211 N N   . ALA B 1 66 ? -19.33428 -2.27325  -0.06080  1.000 11.89280 ? 65  ALA B N   1 
ATOM   1212 C CA  . ALA B 1 66 ? -19.82281 -3.57335  0.38277   1.000 12.13045 ? 65  ALA B CA  1 
ATOM   1213 C C   . ALA B 1 66 ? -19.35874 -4.63757  -0.59841  1.000 13.68484 ? 65  ALA B C   1 
ATOM   1214 O O   . ALA B 1 66 ? -19.60695 -4.51860  -1.80212  1.000 15.80663 ? 65  ALA B O   1 
ATOM   1215 C CB  . ALA B 1 66 ? -21.35286 -3.56917  0.42731   1.000 13.23913 ? 65  ALA B CB  1 
ATOM   1216 N N   . SER B 1 67 ? -18.69974 -5.67863  -0.09838  1.000 13.44020 ? 66  SER B N   1 
ATOM   1217 C CA  . SER B 1 67 ? -18.12712 -6.70285  -0.96361  1.000 14.48458 ? 66  SER B CA  1 
ATOM   1218 C C   . SER B 1 67 ? -18.72109 -8.06718  -0.65650  1.000 15.18771 ? 66  SER B C   1 
ATOM   1219 O O   . SER B 1 67 ? -18.83110 -8.45793  0.50921   1.000 16.87800 ? 66  SER B O   1 
ATOM   1220 C CB  . SER B 1 67 ? -16.60332 -6.76603  -0.82787  1.000 15.89016 ? 66  SER B CB  1 
ATOM   1221 O OG  . SER B 1 67 ? -15.99972 -5.56553  -1.27413  1.000 18.92946 ? 66  SER B OG  1 
ATOM   1222 N N   . THR B 1 68 ? -19.09010 -8.78463  -1.71708  1.000 18.60780 ? 67  THR B N   1 
ATOM   1223 C CA  . THR B 1 68 ? -19.45172 -10.19518 -1.66015  1.000 20.18043 ? 67  THR B CA  1 
ATOM   1224 C C   . THR B 1 68 ? -18.68008 -10.88619 -2.77340  1.000 20.70555 ? 67  THR B C   1 
ATOM   1225 O O   . THR B 1 68 ? -18.76095 -10.47079 -3.93398  1.000 21.74979 ? 67  THR B O   1 
ATOM   1226 C CB  . THR B 1 68 ? -20.95968 -10.37660 -1.86696  1.000 22.62039 ? 67  THR B CB  1 
ATOM   1227 O OG1 . THR B 1 68 ? -21.67812 -9.63222  -0.87261  1.000 23.40610 ? 67  THR B OG1 1 
ATOM   1228 C CG2 . THR B 1 68 ? -21.34109 -11.84989 -1.76333  1.000 28.55259 ? 67  THR B CG2 1 
ATOM   1229 N N   . GLY B 1 69 ? -17.91232 -11.91002 -2.42068  1.000 22.22489 ? 68  GLY B N   1 
ATOM   1230 C CA  . GLY B 1 69 ? -17.01562 -12.49679 -3.40336  1.000 25.69912 ? 68  GLY B CA  1 
ATOM   1231 C C   . GLY B 1 69 ? -16.04907 -11.44632 -3.91519  1.000 26.70432 ? 68  GLY B C   1 
ATOM   1232 O O   . GLY B 1 69 ? -15.41613 -10.71917 -3.13967  1.000 21.95748 ? 68  GLY B O   1 
ATOM   1233 N N   . THR B 1 70 ? -15.94422 -11.33908 -5.23828  1.000 25.21193 ? 69  THR B N   1 
ATOM   1234 C CA  . THR B 1 70 ? -15.08665 -10.34904 -5.87265  1.000 24.20215 ? 69  THR B CA  1 
ATOM   1235 C C   . THR B 1 70 ? -15.84435 -9.10748  -6.32561  1.000 21.48767 ? 69  THR B C   1 
ATOM   1236 O O   . THR B 1 70 ? -15.27204 -8.26716  -7.02513  1.000 24.78265 ? 69  THR B O   1 
ATOM   1237 C CB  . THR B 1 70 ? -14.33234 -10.97237 -7.04992  1.000 28.11501 ? 69  THR B CB  1 
ATOM   1238 O OG1 . THR B 1 70 ? -15.26041 -11.64466 -7.91093  1.000 33.54872 ? 69  THR B OG1 1 
ATOM   1239 C CG2 . THR B 1 70 ? -13.29233 -11.96696 -6.55240  1.000 33.96910 ? 69  THR B CG2 1 
ATOM   1240 N N   . THR B 1 71 ? -17.11141 -8.96679  -5.94340  1.000 20.36121 ? 70  THR B N   1 
ATOM   1241 C CA  . THR B 1 71 ? -17.93129 -7.83950  -6.36644  1.000 22.27012 ? 70  THR B CA  1 
ATOM   1242 C C   . THR B 1 71 ? -18.05577 -6.85058  -5.21569  1.000 15.67035 ? 70  THR B C   1 
ATOM   1243 O O   . THR B 1 71 ? -18.56861 -7.19859  -4.14521  1.000 19.55026 ? 70  THR B O   1 
ATOM   1244 C CB  . THR B 1 71 ? -19.31773 -8.31323  -6.80036  1.000 19.31169 ? 70  THR B CB  1 
ATOM   1245 O OG1 . THR B 1 71 ? -19.19594 -9.18614  -7.92977  1.000 29.85744 ? 70  THR B OG1 1 
ATOM   1246 C CG2 . THR B 1 71 ? -20.18912 -7.12522  -7.17628  1.000 25.95669 ? 70  THR B CG2 1 
ATOM   1247 N N   . THR B 1 72 ? -17.60509 -5.62448  -5.44262  1.000 15.42400 ? 71  THR B N   1 
ATOM   1248 C CA  . THR B 1 72 ? -17.73059 -4.54541  -4.47129  1.000 15.37814 ? 71  THR B CA  1 
ATOM   1249 C C   . THR B 1 72 ? -18.71584 -3.52221  -5.00896  1.000 17.20062 ? 71  THR B C   1 
ATOM   1250 O O   . THR B 1 72 ? -18.53024 -3.00018  -6.11421  1.000 18.21881 ? 71  THR B O   1 
ATOM   1251 C CB  . THR B 1 72 ? -16.38053 -3.87800  -4.21745  1.000 17.57590 ? 71  THR B CB  1 
ATOM   1252 O OG1 . THR B 1 72 ? -15.47590 -4.83625  -3.66241  1.000 17.90836 ? 71  THR B OG1 1 
ATOM   1253 C CG2 . THR B 1 72 ? -16.54169 -2.70253  -3.25329  1.000 16.28913 ? 71  THR B CG2 1 
ATOM   1254 N N   . THR B 1 73 ? -19.74613 -3.23126  -4.22420  1.000 14.26020 ? 72  THR B N   1 
ATOM   1255 C CA  . THR B 1 73 ? -20.74882 -2.23633  -4.56380  1.000 14.91333 ? 72  THR B CA  1 
ATOM   1256 C C   . THR B 1 73 ? -20.58739 -1.03435  -3.65050  1.000 12.57716 ? 72  THR B C   1 
ATOM   1257 O O   . THR B 1 73 ? -20.49815 -1.19063  -2.42767  1.000 14.42979 ? 72  THR B O   1 
ATOM   1258 C CB  . THR B 1 73 ? -22.14883 -2.81446  -4.37505  1.000 14.31246 ? 72  THR B CB  1 
ATOM   1259 O OG1 . THR B 1 73 ? -22.26597 -4.00826  -5.15795  1.000 16.34549 ? 72  THR B OG1 1 
ATOM   1260 C CG2 . THR B 1 73 ? -23.21172 -1.80617  -4.80552  1.000 17.20347 ? 72  THR B CG2 1 
ATOM   1261 N N   . GLU B 1 74 ? -20.55183 0.15521   -4.23925  1.000 12.78653 ? 73  GLU B N   1 
ATOM   1262 C CA  . GLU B 1 74 ? -20.53762 1.40354   -3.49571  1.000 13.08659 ? 73  GLU B CA  1 
ATOM   1263 C C   . GLU B 1 74 ? -21.96657 1.87361   -3.27939  1.000 12.11073 ? 73  GLU B C   1 
ATOM   1264 O O   . GLU B 1 74 ? -22.76944 1.91265   -4.22008  1.000 13.85547 ? 73  GLU B O   1 
ATOM   1265 C CB  . GLU B 1 74 ? -19.76592 2.46375   -4.28010  1.000 12.45899 ? 73  GLU B CB  1 
ATOM   1266 C CG  . GLU B 1 74 ? -19.78807 3.84605   -3.70142  1.000 13.61273 ? 73  GLU B CG  1 
ATOM   1267 C CD  . GLU B 1 74 ? -19.22499 4.88367   -4.66555  1.000 14.58630 ? 73  GLU B CD  1 
ATOM   1268 O OE1 . GLU B 1 74 ? -19.69674 4.93239   -5.82409  1.000 14.79799 ? 73  GLU B OE1 1 
ATOM   1269 O OE2 . GLU B 1 74 ? -18.31162 5.63661   -4.26593  1.000 14.41127 ? 73  GLU B OE2 1 
ATOM   1270 N N   . TRP B 1 75 ? -22.26616 2.25493   -2.04647  1.000 12.84855 ? 74  TRP B N   1 
ATOM   1271 C CA  . TRP B 1 75 ? -23.55326 2.81095   -1.66416  1.000 11.74938 ? 74  TRP B CA  1 
ATOM   1272 C C   . TRP B 1 75 ? -23.33243 4.23443   -1.17884  1.000 14.85170 ? 74  TRP B C   1 
ATOM   1273 O O   . TRP B 1 75 ? -22.39025 4.50320   -0.42487  1.000 12.89321 ? 74  TRP B O   1 
ATOM   1274 C CB  . TRP B 1 75 ? -24.19904 1.95593   -0.58146  1.000 12.52928 ? 74  TRP B CB  1 
ATOM   1275 C CG  . TRP B 1 75 ? -24.55032 0.61445   -1.07217  1.000 12.89039 ? 74  TRP B CG  1 
ATOM   1276 C CD1 . TRP B 1 75 ? -23.86022 -0.54515  -0.89046  1.000 14.05761 ? 74  TRP B CD1 1 
ATOM   1277 C CD2 . TRP B 1 75 ? -25.68902 0.27928   -1.87305  1.000 14.69336 ? 74  TRP B CD2 1 
ATOM   1278 N NE1 . TRP B 1 75 ? -24.49973 -1.58931  -1.52095  1.000 15.13812 ? 74  TRP B NE1 1 
ATOM   1279 C CE2 . TRP B 1 75 ? -25.62605 -1.10269  -2.13440  1.000 14.05388 ? 74  TRP B CE2 1 
ATOM   1280 C CE3 . TRP B 1 75 ? -26.76357 1.01543   -2.38623  1.000 16.44728 ? 74  TRP B CE3 1 
ATOM   1281 C CZ2 . TRP B 1 75 ? -26.59979 -1.76614  -2.88475  1.000 20.44715 ? 74  TRP B CZ2 1 
ATOM   1282 C CZ3 . TRP B 1 75 ? -27.72828 0.35333   -3.14269  1.000 22.87788 ? 74  TRP B CZ3 1 
ATOM   1283 C CH2 . TRP B 1 75 ? -27.63839 -1.02040  -3.37966  1.000 21.10865 ? 74  TRP B CH2 1 
ATOM   1284 N N   . CYS B 1 76 ? -24.18501 5.15061   -1.62853  1.000 13.54138 ? 75  CYS B N   1 
ATOM   1285 C CA  . CYS B 1 76 ? -23.97890 6.57717   -1.44654  1.000 14.01969 ? 75  CYS B CA  1 
ATOM   1286 C C   . CYS B 1 76 ? -25.11153 7.15405   -0.61878  1.000 13.03299 ? 75  CYS B C   1 
ATOM   1287 O O   . CYS B 1 76 ? -26.28702 6.99218   -0.96447  1.000 15.54343 ? 75  CYS B O   1 
ATOM   1288 C CB  . CYS B 1 76 ? -23.95568 7.29736   -2.79378  1.000 14.66770 ? 75  CYS B CB  1 
ATOM   1289 S SG  . CYS B 1 76 ? -22.82941 6.57244   -4.00910  1.000 16.42536 ? 75  CYS B SG  1 
ATOM   1290 N N   . TRP B 1 77 ? -24.75942 7.84336   0.45188   1.000 14.59227 ? 76  TRP B N   1 
ATOM   1291 C CA  . TRP B 1 77 ? -25.70490 8.65261   1.19977   1.000 15.88917 ? 76  TRP B CA  1 
ATOM   1292 C C   . TRP B 1 77 ? -25.36641 10.10877  0.93135   1.000 15.58697 ? 76  TRP B C   1 
ATOM   1293 O O   . TRP B 1 77 ? -24.24993 10.55463  1.21459   1.000 17.26997 ? 76  TRP B O   1 
ATOM   1294 C CB  . TRP B 1 77 ? -25.62981 8.36983   2.69549   1.000 15.69554 ? 76  TRP B CB  1 
ATOM   1295 C CG  . TRP B 1 77 ? -26.57551 9.24785   3.43588   1.000 17.59630 ? 76  TRP B CG  1 
ATOM   1296 C CD1 . TRP B 1 77 ? -26.30757 10.47121  3.97029   1.000 19.56899 ? 76  TRP B CD1 1 
ATOM   1297 C CD2 . TRP B 1 77 ? -27.96194 8.99582   3.67568   1.000 18.37939 ? 76  TRP B CD2 1 
ATOM   1298 N NE1 . TRP B 1 77 ? -27.43982 10.98939  4.55366   1.000 21.23719 ? 76  TRP B NE1 1 
ATOM   1299 C CE2 . TRP B 1 77 ? -28.47037 10.10170  4.38422   1.000 19.73901 ? 76  TRP B CE2 1 
ATOM   1300 C CE3 . TRP B 1 77 ? -28.81700 7.93648   3.37207   1.000 19.11734 ? 76  TRP B CE3 1 
ATOM   1301 C CZ2 . TRP B 1 77 ? -29.80238 10.17959  4.79099   1.000 19.07744 ? 76  TRP B CZ2 1 
ATOM   1302 C CZ3 . TRP B 1 77 ? -30.13590 8.01105   3.78468   1.000 16.62018 ? 76  TRP B CZ3 1 
ATOM   1303 C CH2 . TRP B 1 77 ? -30.61498 9.12591   4.48305   1.000 22.89682 ? 76  TRP B CH2 1 
ATOM   1304 N N   . ASP B 1 78 ? -26.32386 10.83858  0.36496   1.000 18.85772 ? 77  ASP B N   1 
ATOM   1305 C CA  . ASP B 1 78 ? -26.15762 12.25315  0.07086   1.000 19.13785 ? 77  ASP B CA  1 
ATOM   1306 C C   . ASP B 1 78 ? -27.33438 13.04749  0.62066   1.000 23.78940 ? 77  ASP B C   1 
ATOM   1307 O O   . ASP B 1 78 ? -27.66255 14.12567  0.11829   1.000 29.04028 ? 77  ASP B O   1 
ATOM   1308 C CB  . ASP B 1 78 ? -25.95258 12.47564  -1.42699  1.000 22.01572 ? 77  ASP B CB  1 
ATOM   1309 C CG  . ASP B 1 78 ? -24.69752 11.78829  -1.94462  1.000 25.40429 ? 77  ASP B CG  1 
ATOM   1310 O OD1 . ASP B 1 78 ? -23.59131 12.16591  -1.50309  1.000 21.88065 ? 77  ASP B OD1 1 
ATOM   1311 O OD2 . ASP B 1 78 ? -24.81724 10.85371  -2.76600  1.000 25.42561 ? 77  ASP B OD2 1 
ATOM   1312 N N   . GLY B 1 79 ? -27.97433 12.51219  1.65798   1.000 22.15954 ? 78  GLY B N   1 
ATOM   1313 C CA  . GLY B 1 79 ? -29.09022 13.15182  2.31653   1.000 26.10506 ? 78  GLY B CA  1 
ATOM   1314 C C   . GLY B 1 79 ? -30.45605 12.62223  1.93298   1.000 22.01906 ? 78  GLY B C   1 
ATOM   1315 O O   . GLY B 1 79 ? -31.43057 12.92348  2.63313   1.000 30.88482 ? 78  GLY B O   1 
ATOM   1316 N N   . ASN B 1 80 ? -30.55777 11.82911  0.86263   1.000 25.41843 ? 79  ASN B N   1 
ATOM   1317 C CA  . ASN B 1 80 ? -31.84781 11.49439  0.26426   1.000 31.20304 ? 79  ASN B CA  1 
ATOM   1318 C C   . ASN B 1 80 ? -32.02092 9.99325   0.05237   1.000 23.62728 ? 79  ASN B C   1 
ATOM   1319 O O   . ASN B 1 80 ? -32.66000 9.57500   -0.91560  1.000 30.40360 ? 79  ASN B O   1 
ATOM   1320 C CB  . ASN B 1 80 ? -32.04121 12.22630  -1.06609  1.000 36.52972 ? 79  ASN B CB  1 
ATOM   1321 C CG  . ASN B 1 80 ? -31.86674 13.72796  -0.94596  1.000 44.58317 ? 79  ASN B CG  1 
ATOM   1322 O OD1 . ASN B 1 80 ? -30.90294 14.29564  -1.46289  1.000 58.55195 ? 79  ASN B OD1 1 
ATOM   1323 N ND2 . ASN B 1 80 ? -32.80870 14.38202  -0.27855  1.000 44.55169 ? 79  ASN B ND2 1 
ATOM   1324 N N   . GLY B 1 81 ? -31.47441 9.16825   0.93600   1.000 21.54552 ? 80  GLY B N   1 
ATOM   1325 C CA  . GLY B 1 81 ? -31.53733 7.73645   0.74514   1.000 17.09343 ? 80  GLY B CA  1 
ATOM   1326 C C   . GLY B 1 81 ? -30.22234 7.17191   0.22422   1.000 15.81350 ? 80  GLY B C   1 
ATOM   1327 O O   . GLY B 1 81 ? -29.37063 7.88271   -0.31281  1.000 19.04653 ? 80  GLY B O   1 
ATOM   1328 N N   . TRP B 1 82 ? -30.07976 5.85845   0.35499   1.000 14.08294 ? 81  TRP B N   1 
ATOM   1329 C CA  . TRP B 1 82 ? -28.88440 5.16000   -0.10288  1.000 15.69406 ? 81  TRP B CA  1 
ATOM   1330 C C   . TRP B 1 82 ? -29.06819 4.73247   -1.55440  1.000 17.84461 ? 81  TRP B C   1 
ATOM   1331 O O   . TRP B 1 82 ? -30.00998 3.99876   -1.87526  1.000 18.47321 ? 81  TRP B O   1 
ATOM   1332 C CB  . TRP B 1 82 ? -28.62925 3.93740   0.76852   1.000 15.41852 ? 81  TRP B CB  1 
ATOM   1333 C CG  . TRP B 1 82 ? -28.16874 4.26981   2.13745   1.000 13.41313 ? 81  TRP B CG  1 
ATOM   1334 C CD1 . TRP B 1 82 ? -28.93730 4.38163   3.25434   1.000 14.90327 ? 81  TRP B CD1 1 
ATOM   1335 C CD2 . TRP B 1 82 ? -26.82071 4.54510   2.54297   1.000 12.70027 ? 81  TRP B CD2 1 
ATOM   1336 N NE1 . TRP B 1 82 ? -28.15046 4.70080   4.33666   1.000 12.46864 ? 81  TRP B NE1 1 
ATOM   1337 C CE2 . TRP B 1 82 ? -26.84614 4.81192   3.92690   1.000 11.54037 ? 81  TRP B CE2 1 
ATOM   1338 C CE3 . TRP B 1 82 ? -25.59373 4.59513   1.86737   1.000 13.41479 ? 81  TRP B CE3 1 
ATOM   1339 C CZ2 . TRP B 1 82 ? -25.68504 5.10937   4.65590   1.000 12.22087 ? 81  TRP B CZ2 1 
ATOM   1340 C CZ3 . TRP B 1 82 ? -24.44640 4.89237   2.59075   1.000 13.84244 ? 81  TRP B CZ3 1 
ATOM   1341 C CH2 . TRP B 1 82 ? -24.50077 5.14491   3.97023   1.000 12.64418 ? 81  TRP B CH2 1 
ATOM   1342 N N   . THR B 1 83 ? -28.15734 5.16622   -2.42357  1.000 15.68087 ? 82  THR B N   1 
ATOM   1343 C CA  . THR B 1 83 ? -28.20109 4.81873   -3.83799  1.000 16.44898 ? 82  THR B CA  1 
ATOM   1344 C C   . THR B 1 83 ? -26.89651 4.15897   -4.25583  1.000 15.37646 ? 82  THR B C   1 
ATOM   1345 O O   . THR B 1 83 ? -25.83321 4.44156   -3.69380  1.000 15.84573 ? 82  THR B O   1 
ATOM   1346 C CB  . THR B 1 83 ? -28.43982 6.05104   -4.72327  1.000 20.58519 ? 82  THR B CB  1 
ATOM   1347 O OG1 . THR B 1 83 ? -27.33200 6.95338   -4.60899  1.000 22.90142 ? 82  THR B OG1 1 
ATOM   1348 C CG2 . THR B 1 83 ? -29.71933 6.76023   -4.31953  1.000 19.81875 ? 82  THR B CG2 1 
ATOM   1349 N N   . LYS B 1 84 ? -26.97467 3.27097   -5.24081  1.000 14.55237 ? 83  LYS B N   1 
ATOM   1350 C CA  . LYS B 1 84 ? -25.76256 2.64473   -5.75602  1.000 15.09107 ? 83  LYS B CA  1 
ATOM   1351 C C   . LYS B 1 84 ? -24.93846 3.64590   -6.55300  1.000 19.56406 ? 83  LYS B C   1 
ATOM   1352 O O   . LYS B 1 84 ? -25.44662 4.29472   -7.47076  1.000 20.55492 ? 83  LYS B O   1 
ATOM   1353 C CB  . LYS B 1 84 ? -26.10016 1.44318   -6.63038  1.000 16.91959 ? 83  LYS B CB  1 
ATOM   1354 C CG  . LYS B 1 84 ? -24.87798 0.83166   -7.28888  1.000 18.70349 ? 83  LYS B CG  1 
ATOM   1355 C CD  . LYS B 1 84 ? -25.24499 -0.24200  -8.29134  1.000 19.65889 ? 83  LYS B CD  1 
ATOM   1356 C CE  . LYS B 1 84 ? -24.00453 -0.84016  -8.93372  1.000 19.79466 ? 83  LYS B CE  1 
ATOM   1357 N NZ  . LYS B 1 84 ? -24.34915 -1.86207  -9.96571  1.000 20.04851 ? 83  LYS B NZ  1 
ATOM   1358 N N   . GLY B 1 85 ? -23.65550 3.75584   -6.20802  1.000 16.89118 ? 84  GLY B N   1 
ATOM   1359 C CA  . GLY B 1 85 ? -22.75463 4.65350   -6.89474  1.000 18.29660 ? 84  GLY B CA  1 
ATOM   1360 C C   . GLY B 1 85 ? -22.09289 4.02324   -8.10586  1.000 14.16515 ? 84  GLY B C   1 
ATOM   1361 O O   . GLY B 1 85 ? -22.24899 2.84738   -8.41486  1.000 14.17316 ? 84  GLY B O   1 
ATOM   1362 N N   . ALA B 1 86 ? -21.29516 4.84085   -8.78138  1.000 16.01783 ? 85  ALA B N   1 
ATOM   1363 C CA  . ALA B 1 86 ? -20.62657 4.42053   -10.00506 1.000 18.42793 ? 85  ALA B CA  1 
ATOM   1364 C C   . ALA B 1 86 ? -19.34022 3.62472   -9.78001  1.000 14.84864 ? 85  ALA B C   1 
ATOM   1365 O O   . ALA B 1 86 ? -18.74589 3.18332   -10.76716 1.000 16.00561 ? 85  ALA B O   1 
ATOM   1366 C CB  . ALA B 1 86 ? -20.34243 5.63337   -10.89147 1.000 21.48813 ? 85  ALA B CB  1 
ATOM   1367 N N   . TYR B 1 87 ? -18.89030 3.42754   -8.53495  1.000 13.61321 ? 86  TYR B N   1 
ATOM   1368 C CA  . TYR B 1 87 ? -17.67159 2.66172   -8.29033  1.000 12.97008 ? 86  TYR B CA  1 
ATOM   1369 C C   . TYR B 1 87 ? -17.72276 1.31836   -8.99300  1.000 13.56861 ? 86  TYR B C   1 
ATOM   1370 O O   . TYR B 1 87 ? -18.72144 0.59618   -8.90598  1.000 14.49573 ? 86  TYR B O   1 
ATOM   1371 C CB  . TYR B 1 87 ? -17.47906 2.40605   -6.79395  1.000 10.96541 ? 86  TYR B CB  1 
ATOM   1372 C CG  . TYR B 1 87 ? -16.27322 1.52790   -6.50609  1.000 12.87169 ? 86  TYR B CG  1 
ATOM   1373 C CD1 . TYR B 1 87 ? -15.00511 2.08268   -6.38705  1.000 12.30513 ? 86  TYR B CD1 1 
ATOM   1374 C CD2 . TYR B 1 87 ? -16.39218 0.14475   -6.39097  1.000 12.92050 ? 86  TYR B CD2 1 
ATOM   1375 C CE1 . TYR B 1 87 ? -13.90003 1.29599   -6.14206  1.000 12.42103 ? 86  TYR B CE1 1 
ATOM   1376 C CE2 . TYR B 1 87 ? -15.28237 -0.65171  -6.15286  1.000 14.38561 ? 86  TYR B CE2 1 
ATOM   1377 C CZ  . TYR B 1 87 ? -14.03099 -0.06595  -6.02284  1.000 12.30753 ? 86  TYR B CZ  1 
ATOM   1378 O OH  . TYR B 1 87 ? -12.91060 -0.84206  -5.77450  1.000 14.17097 ? 86  TYR B OH  1 
ATOM   1379 N N   . THR B 1 88 ? -16.63477 0.98447   -9.67816  1.000 13.98558 ? 87  THR B N   1 
ATOM   1380 C CA  . THR B 1 88 ? -16.42366 -0.35372  -10.19543 1.000 17.40077 ? 87  THR B CA  1 
ATOM   1381 C C   . THR B 1 88 ? -14.96422 -0.72653  -9.99229  1.000 19.28553 ? 87  THR B C   1 
ATOM   1382 O O   . THR B 1 88 ? -14.08471 0.13094   -9.86223  1.000 17.76582 ? 87  THR B O   1 
ATOM   1383 C CB  . THR B 1 88 ? -16.76015 -0.47396  -11.69267 1.000 22.52336 ? 87  THR B CB  1 
ATOM   1384 O OG1 . THR B 1 88 ? -15.93680 0.42971   -12.44554 1.000 20.47088 ? 87  THR B OG1 1 
ATOM   1385 C CG2 . THR B 1 88 ? -18.23501 -0.18775  -11.95569 1.000 20.57724 ? 87  THR B CG2 1 
ATOM   1386 N N   . ALA B 1 89 ? -14.72498 -2.03034  -9.96683  1.000 21.98928 ? 88  ALA B N   1 
ATOM   1387 C CA  . ALA B 1 89 ? -13.38446 -2.58337  -9.97086  1.000 30.49191 ? 88  ALA B CA  1 
ATOM   1388 C C   . ALA B 1 89 ? -13.41507 -3.87266  -10.77343 1.000 36.64721 ? 88  ALA B C   1 
ATOM   1389 O O   . ALA B 1 89 ? -14.45387 -4.53092  -10.87362 1.000 41.15855 ? 88  ALA B O   1 
ATOM   1390 C CB  . ALA B 1 89 ? -12.89292 -2.86557  -8.54939  1.000 23.03657 ? 88  ALA B CB  1 
ATOM   1391 N N   . THR B 1 90 ? -12.27626 -4.21818  -11.36385 0.000 33.32187 ? 89  THR B N   1 
ATOM   1392 C CA  . THR B 1 90 ? -12.12658 -5.48567  -12.07407 0.000 34.58125 ? 89  THR B CA  1 
ATOM   1393 C C   . THR B 1 90 ? -11.36886 -6.41963  -11.13752 0.000 34.18833 ? 89  THR B C   1 
ATOM   1394 O O   . THR B 1 90 ? -10.13795 -6.43814  -11.10744 0.000 34.95712 ? 89  THR B O   1 
ATOM   1395 C CB  . THR B 1 90 ? -11.40506 -5.28833  -13.40277 0.000 36.46979 ? 89  THR B CB  1 
ATOM   1396 O OG1 . THR B 1 90 ? -12.02782 -4.22252  -14.13036 0.000 36.82346 ? 89  THR B OG1 1 
ATOM   1397 C CG2 . THR B 1 90 ? -11.47492 -6.55971  -14.23533 0.000 37.89828 ? 89  THR B CG2 1 
ATOM   1398 N N   . ASN B 1 91 ? -12.11921 -7.18637  -10.35234 0.000 33.36028 ? 90  ASN B N   1 
ATOM   1399 C CA  . ASN B 1 91 ? -11.52735 -8.10560  -9.39032  0.000 31.97780 ? 90  ASN B CA  1 
ATOM   1400 C C   . ASN B 1 91 ? -11.54446 -9.53535  -9.91885  0.000 32.16378 ? 90  ASN B C   1 
ATOM   1401 O O   . ASN B 1 91 ? -12.56150 -10.00717 -10.42635 0.000 33.14615 ? 90  ASN B O   1 
ATOM   1402 C CB  . ASN B 1 91 ? -12.26317 -8.02822  -8.05127  0.000 29.36688 ? 90  ASN B CB  1 
ATOM   1403 C CG  . ASN B 1 91 ? -12.06088 -6.69908  -7.34907  0.000 27.27931 ? 90  ASN B CG  1 
ATOM   1404 O OD1 . ASN B 1 91 ? -10.99411 -6.09343  -7.43868  0.000 26.30262 ? 90  ASN B OD1 1 
ATOM   1405 N ND2 . ASN B 1 91 ? -13.08897 -6.23854  -6.64402  0.000 24.96127 ? 90  ASN B ND2 1 
ATOM   1406 N N   . SER C 1 3  ? -14.36478 -13.47061 0.49378   1.000 30.40641 ? 2   SER C N   1 
ATOM   1407 C CA  . SER C 1 3  ? -14.64372 -12.25456 -0.25945  1.000 24.64495 ? 2   SER C CA  1 
ATOM   1408 C C   . SER C 1 3  ? -13.44500 -11.31511 -0.22113  1.000 20.89286 ? 2   SER C C   1 
ATOM   1409 O O   . SER C 1 3  ? -12.61256 -11.39516 0.68504   1.000 21.50323 ? 2   SER C O   1 
ATOM   1410 C CB  . SER C 1 3  ? -15.87771 -11.54854 0.30254   1.000 27.29891 ? 2   SER C CB  1 
ATOM   1411 O OG  . SER C 1 3  ? -17.01455 -12.39070 0.22496   1.000 30.45798 ? 2   SER C OG  1 
ATOM   1412 N N   . VAL C 1 4  ? -13.35702 -10.43350 -1.22164  1.000 18.15441 ? 3   VAL C N   1 
ATOM   1413 C CA  . VAL C 1 4  ? -12.31469 -9.41650  -1.21077  1.000 18.86786 ? 3   VAL C CA  1 
ATOM   1414 C C   . VAL C 1 4  ? -12.53981 -8.47461  -0.02975  1.000 16.17744 ? 3   VAL C C   1 
ATOM   1415 O O   . VAL C 1 4  ? -13.62958 -8.40145  0.55275   1.000 17.45869 ? 3   VAL C O   1 
ATOM   1416 C CB  . VAL C 1 4  ? -12.23674 -8.63957  -2.53490  1.000 15.73953 ? 3   VAL C CB  1 
ATOM   1417 C CG1 . VAL C 1 4  ? -11.97071 -9.58710  -3.70006  1.000 17.69176 ? 3   VAL C CG1 1 
ATOM   1418 C CG2 . VAL C 1 4  ? -13.50830 -7.84925  -2.77600  1.000 16.64304 ? 3   VAL C CG2 1 
ATOM   1419 N N   . GLN C 1 5  ? -11.48541 -7.75565  0.33224   1.000 14.27886 ? 4   GLN C N   1 
ATOM   1420 C CA  . GLN C 1 5  ? -11.50501 -6.89360  1.50281   1.000 12.83880 ? 4   GLN C CA  1 
ATOM   1421 C C   . GLN C 1 5  ? -11.03037 -5.51485  1.07386   1.000 12.35552 ? 4   GLN C C   1 
ATOM   1422 O O   . GLN C 1 5  ? -10.03460 -5.40125  0.35102   1.000 13.50726 ? 4   GLN C O   1 
ATOM   1423 C CB  . GLN C 1 5  ? -10.60484 -7.49104  2.59307   1.000 15.04946 ? 4   GLN C CB  1 
ATOM   1424 C CG  . GLN C 1 5  ? -10.57746 -6.72634  3.89934   1.000 16.94425 ? 4   GLN C CG  1 
ATOM   1425 C CD  . GLN C 1 5  ? -9.44289  -5.73802  3.94513   1.000 14.59696 ? 4   GLN C CD  1 
ATOM   1426 O OE1 . GLN C 1 5  ? -8.31556  -6.05998  3.57443   1.000 14.88604 ? 4   GLN C OE1 1 
ATOM   1427 N NE2 . GLN C 1 5  ? -9.72860  -4.52795  4.38782   1.000 15.73204 ? 4   GLN C NE2 1 
ATOM   1428 N N   . THR C 1 6  ? -11.73506 -4.47129  1.50349   1.000 11.91621 ? 5   THR C N   1 
ATOM   1429 C CA  . THR C 1 6  ? -11.46036 -3.12093  1.04047   1.000 10.43548 ? 5   THR C CA  1 
ATOM   1430 C C   . THR C 1 6  ? -11.18631 -2.16985  2.19651   1.000 10.21548 ? 5   THR C C   1 
ATOM   1431 O O   . THR C 1 6  ? -11.53005 -2.43326  3.35371   1.000 11.74643 ? 5   THR C O   1 
ATOM   1432 C CB  . THR C 1 6  ? -12.60749 -2.54617  0.17866   1.000 12.03358 ? 5   THR C CB  1 
ATOM   1433 O OG1 . THR C 1 6  ? -13.74982 -2.24488  0.99752   1.000 12.05802 ? 5   THR C OG1 1 
ATOM   1434 C CG2 . THR C 1 6  ? -13.00343 -3.51647  -0.93095  1.000 13.55179 ? 5   THR C CG2 1 
ATOM   1435 N N   . ALA C 1 7  ? -10.58177 -1.04288  1.84863   1.000 9.85046  ? 6   ALA C N   1 
ATOM   1436 C CA  . ALA C 1 7  ? -10.37855 0.08117   2.74730   1.000 9.36540  ? 6   ALA C CA  1 
ATOM   1437 C C   . ALA C 1 7  ? -10.52590 1.34610   1.91803   1.000 10.78169 ? 6   ALA C C   1 
ATOM   1438 O O   . ALA C 1 7  ? -10.17400 1.36192   0.73392   1.000 12.42889 ? 6   ALA C O   1 
ATOM   1439 C CB  . ALA C 1 7  ? -8.97656  0.03595   3.37901   1.000 11.26205 ? 6   ALA C CB  1 
ATOM   1440 N N   . ALA C 1 8  ? -11.02628 2.41131   2.52552   1.000 9.45668  ? 7   ALA C N   1 
ATOM   1441 C CA  . ALA C 1 8  ? -11.33024 3.62059   1.77351   1.000 11.06816 ? 7   ALA C CA  1 
ATOM   1442 C C   . ALA C 1 8  ? -10.92288 4.85504   2.56194   1.000 10.66717 ? 7   ALA C C   1 
ATOM   1443 O O   . ALA C 1 8  ? -11.01819 4.88606   3.79211   1.000 11.41754 ? 7   ALA C O   1 
ATOM   1444 C CB  . ALA C 1 8  ? -12.83226 3.71146   1.45438   1.000 12.24893 ? 7   ALA C CB  1 
ATOM   1445 N N   . THR C 1 9  ? -10.48629 5.88503   1.83995   1.000 10.80132 ? 8   THR C N   1 
ATOM   1446 C CA  . THR C 1 9  ? -10.20052 7.18669   2.42205   1.000 11.31268 ? 8   THR C CA  1 
ATOM   1447 C C   . THR C 1 9  ? -10.65533 8.26564   1.44296   1.000 10.34091 ? 8   THR C C   1 
ATOM   1448 O O   . THR C 1 9  ? -10.79001 8.01910   0.24046   1.000 11.90066 ? 8   THR C O   1 
ATOM   1449 C CB  . THR C 1 9  ? -8.70631  7.32292   2.77578   1.000 10.76063 ? 8   THR C CB  1 
ATOM   1450 O OG1 . THR C 1 9  ? -8.51034  8.49073   3.58485   1.000 12.65947 ? 8   THR C OG1 1 
ATOM   1451 C CG2 . THR C 1 9  ? -7.84732  7.41973   1.51754   1.000 12.73138 ? 8   THR C CG2 1 
ATOM   1452 N N   . SER C 1 10 ? -10.86656 9.47638   1.95201   1.000 11.17147 ? 9   SER C N   1 
ATOM   1453 C CA  . SER C 1 10 ? -11.29084 10.57816  1.09974   1.000 12.01303 ? 9   SER C CA  1 
ATOM   1454 C C   . SER C 1 10 ? -10.77045 11.88328  1.67877   1.000 11.39728 ? 9   SER C C   1 
ATOM   1455 O O   . SER C 1 10 ? -10.47410 11.97824  2.87262   1.000 12.50758 ? 9   SER C O   1 
ATOM   1456 C CB  . SER C 1 10 ? -12.82112 10.63061  0.96703   1.000 12.87319 ? 9   SER C CB  1 
ATOM   1457 O OG  . SER C 1 10 ? -13.44600 10.81556  2.22709   1.000 12.01366 ? 9   SER C OG  1 
ATOM   1458 N N   . TRP C 1 11 ? -10.65581 12.89740  0.82328   1.000 12.92061 ? 10  TRP C N   1 
ATOM   1459 C CA  . TRP C 1 11 ? -10.19788 14.19330  1.30185   1.000 14.69767 ? 10  TRP C CA  1 
ATOM   1460 C C   . TRP C 1 11 ? -10.82598 15.31259  0.48881   1.000 12.74954 ? 10  TRP C C   1 
ATOM   1461 O O   . TRP C 1 11 ? -11.22358 15.13084  -0.66670  1.000 13.59253 ? 10  TRP C O   1 
ATOM   1462 C CB  . TRP C 1 11 ? -8.66886  14.31059  1.30338   1.000 14.66558 ? 10  TRP C CB  1 
ATOM   1463 C CG  . TRP C 1 11 ? -8.00044  14.19846  -0.04276  1.000 13.48181 ? 10  TRP C CG  1 
ATOM   1464 C CD1 . TRP C 1 11 ? -7.71501  15.22192  -0.90267  1.000 14.46081 ? 10  TRP C CD1 1 
ATOM   1465 C CD2 . TRP C 1 11 ? -7.51277  13.00117  -0.66687  1.000 12.89885 ? 10  TRP C CD2 1 
ATOM   1466 N NE1 . TRP C 1 11 ? -7.08603  14.73409  -2.02142  1.000 13.71591 ? 10  TRP C NE1 1 
ATOM   1467 C CE2 . TRP C 1 11 ? -6.94649  13.37527  -1.90435  1.000 12.67247 ? 10  TRP C CE2 1 
ATOM   1468 C CE3 . TRP C 1 11 ? -7.50192  11.65093  -0.30050  1.000 12.06094 ? 10  TRP C CE3 1 
ATOM   1469 C CZ2 . TRP C 1 11 ? -6.36545  12.44630  -2.77691  1.000 14.24155 ? 10  TRP C CZ2 1 
ATOM   1470 C CZ3 . TRP C 1 11 ? -6.93544  10.73114  -1.16347  1.000 13.07125 ? 10  TRP C CZ3 1 
ATOM   1471 C CH2 . TRP C 1 11 ? -6.37064  11.13443  -2.39164  1.000 14.38535 ? 10  TRP C CH2 1 
ATOM   1472 N N   . GLY C 1 12 ? -10.88911 16.48710  1.11032   1.000 14.76557 ? 11  GLY C N   1 
ATOM   1473 C CA  . GLY C 1 12 ? -11.48083 17.64374  0.47177   1.000 20.78203 ? 11  GLY C CA  1 
ATOM   1474 C C   . GLY C 1 12 ? -12.99364 17.53617  0.34496   1.000 16.51503 ? 11  GLY C C   1 
ATOM   1475 O O   . GLY C 1 12 ? -13.65244 16.68804  0.94336   1.000 20.29638 ? 11  GLY C O   1 
ATOM   1476 N N   . THR C 1 13 ? -13.53864 18.43984  -0.46534  1.000 20.03819 ? 12  THR C N   1 
ATOM   1477 C CA  . THR C 1 13 ? -14.97345 18.51194  -0.68497  1.000 17.77497 ? 12  THR C CA  1 
ATOM   1478 C C   . THR C 1 13 ? -15.39180 18.11489  -2.09110  1.000 20.52707 ? 12  THR C C   1 
ATOM   1479 O O   . THR C 1 13 ? -16.59725 18.04891  -2.35512  1.000 22.88998 ? 12  THR C O   1 
ATOM   1480 C CB  . THR C 1 13 ? -15.49112 19.92780  -0.39344  1.000 21.06830 ? 12  THR C CB  1 
ATOM   1481 O OG1 . THR C 1 13 ? -14.79213 20.86726  -1.21569  1.000 24.91241 ? 12  THR C OG1 1 
ATOM   1482 C CG2 . THR C 1 13 ? -15.29636 20.28128  1.07706   1.000 24.34332 ? 12  THR C CG2 1 
ATOM   1483 N N   . VAL C 1 14 ? -14.44157 17.86963  -3.00130  1.000 20.13819 ? 13  VAL C N   1 
ATOM   1484 C CA  . VAL C 1 14 ? -14.80587 17.36906  -4.33184  1.000 19.62924 ? 13  VAL C CA  1 
ATOM   1485 C C   . VAL C 1 14 ? -15.65173 16.10710  -4.26163  1.000 18.95359 ? 13  VAL C C   1 
ATOM   1486 O O   . VAL C 1 14 ? -16.73282 16.07639  -4.87893  1.000 18.86971 ? 13  VAL C O   1 
ATOM   1487 C CB  . VAL C 1 14 ? -13.55745 17.24027  -5.22323  1.000 18.09880 ? 13  VAL C CB  1 
ATOM   1488 C CG1 . VAL C 1 14 ? -13.92932 16.59107  -6.54946  1.000 19.60050 ? 13  VAL C CG1 1 
ATOM   1489 C CG2 . VAL C 1 14 ? -12.91273 18.60279  -5.44840  1.000 22.34383 ? 13  VAL C CG2 1 
ATOM   1490 N N   . PRO C 1 15 ? -15.25083 15.03810  -3.55668  1.000 15.81300 ? 14  PRO C N   1 
ATOM   1491 C CA  . PRO C 1 15 ? -13.96615 14.81243  -2.88625  1.000 13.81833 ? 14  PRO C CA  1 
ATOM   1492 C C   . PRO C 1 15 ? -13.05778 14.02131  -3.79348  1.000 13.70205 ? 14  PRO C C   1 
ATOM   1493 O O   . PRO C 1 15 ? -13.43668 13.61691  -4.89674  1.000 14.62287 ? 14  PRO C O   1 
ATOM   1494 C CB  . PRO C 1 15 ? -14.37234 13.91028  -1.72414  1.000 17.74125 ? 14  PRO C CB  1 
ATOM   1495 C CG  . PRO C 1 15 ? -15.38458 13.00095  -2.37564  1.000 14.97981 ? 14  PRO C CG  1 
ATOM   1496 C CD  . PRO C 1 15 ? -16.16919 13.91230  -3.31657  1.000 16.68844 ? 14  PRO C CD  1 
ATOM   1497 N N   . SER C 1 16 ? -11.82554 13.79765  -3.35116  1.000 13.28411 ? 15  SER C N   1 
ATOM   1498 C CA  . SER C 1 16 ? -11.04934 12.67625  -3.84423  1.000 12.06452 ? 15  SER C CA  1 
ATOM   1499 C C   . SER C 1 16 ? -11.31213 11.48490  -2.93647  1.000 11.42250 ? 15  SER C C   1 
ATOM   1500 O O   . SER C 1 16 ? -11.44106 11.63926  -1.71731  1.000 12.90031 ? 15  SER C O   1 
ATOM   1501 C CB  . SER C 1 16 ? -9.55834  12.99256  -3.83536  1.000 13.41027 ? 15  SER C CB  1 
ATOM   1502 O OG  . SER C 1 16 ? -9.20600  13.83077  -4.92594  1.000 15.32543 ? 15  SER C OG  1 
ATOM   1503 N N   . ILE C 1 17 ? -11.41389 10.30770  -3.53645  1.000 11.04254 ? 16  ILE C N   1 
ATOM   1504 C CA  . ILE C 1 17 ? -11.62170 9.05129   -2.82996  1.000 11.19972 ? 16  ILE C CA  1 
ATOM   1505 C C   . ILE C 1 17 ? -10.59393 8.06677   -3.35391  1.000 11.18426 ? 16  ILE C C   1 
ATOM   1506 O O   . ILE C 1 17 ? -10.28814 8.04726   -4.55243  1.000 11.44175 ? 16  ILE C O   1 
ATOM   1507 C CB  . ILE C 1 17 ? -13.03556 8.46860   -3.05284  1.000 10.75819 ? 16  ILE C CB  1 
ATOM   1508 C CG1 . ILE C 1 17 ? -14.11978 9.52024   -2.83583  1.000 13.75292 ? 16  ILE C CG1 1 
ATOM   1509 C CG2 . ILE C 1 17 ? -13.25542 7.25186   -2.15477  1.000 12.76501 ? 16  ILE C CG2 1 
ATOM   1510 C CD1 . ILE C 1 17 ? -15.50377 9.05312   -3.22503  1.000 14.52061 ? 16  ILE C CD1 1 
ATOM   1511 N N   . ARG C 1 18 ? -10.04473 7.26040   -2.45630  1.000 11.42835 ? 17  ARG C N   1 
ATOM   1512 C CA  . ARG C 1 18 ? -9.20974  6.13709   -2.84840  1.000 10.52632 ? 17  ARG C CA  1 
ATOM   1513 C C   . ARG C 1 18 ? -9.75044  4.89326   -2.16323  1.000 9.90737  ? 17  ARG C C   1 
ATOM   1514 O O   . ARG C 1 18 ? -10.01531 4.91283   -0.95447  1.000 12.36091 ? 17  ARG C O   1 
ATOM   1515 C CB  . ARG C 1 18 ? -7.74818  6.37320   -2.44955  1.000 10.09638 ? 17  ARG C CB  1 
ATOM   1516 C CG  . ARG C 1 18 ? -7.10370  7.58539   -3.12170  1.000 12.24261 ? 17  ARG C CG  1 
ATOM   1517 C CD  . ARG C 1 18 ? -6.95052  7.38551   -4.63246  1.000 11.37191 ? 17  ARG C CD  1 
ATOM   1518 N NE  . ARG C 1 18 ? -6.25893  8.49829   -5.28146  1.000 11.87629 ? 17  ARG C NE  1 
ATOM   1519 C CZ  . ARG C 1 18 ? -6.86479  9.57758   -5.75417  1.000 11.12677 ? 17  ARG C CZ  1 
ATOM   1520 N NH1 . ARG C 1 18 ? -8.17685  9.72796   -5.66393  1.000 12.79404 ? 17  ARG C NH1 1 
ATOM   1521 N NH2 . ARG C 1 18 ? -6.14139  10.52527  -6.34303  1.000 13.24151 ? 17  ARG C NH2 1 
ATOM   1522 N N   . VAL C 1 19 ? -9.92454  3.82364   -2.92937  1.000 10.33816 ? 18  VAL C N   1 
ATOM   1523 C CA  . VAL C 1 19 ? -10.44468 2.55551   -2.43926  1.000 9.94533  ? 18  VAL C CA  1 
ATOM   1524 C C   . VAL C 1 19 ? -9.41282  1.49316   -2.75447  1.000 11.61985 ? 18  VAL C C   1 
ATOM   1525 O O   . VAL C 1 19 ? -9.03958  1.31904   -3.92166  1.000 10.99710 ? 18  VAL C O   1 
ATOM   1526 C CB  . VAL C 1 19 ? -11.80014 2.20592   -3.08079  1.000 10.90049 ? 18  VAL C CB  1 
ATOM   1527 C CG1 . VAL C 1 19 ? -12.30724 0.88193   -2.51786  1.000 12.15462 ? 18  VAL C CG1 1 
ATOM   1528 C CG2 . VAL C 1 19 ? -12.80180 3.32674   -2.84181  1.000 12.48688 ? 18  VAL C CG2 1 
ATOM   1529 N N   . TYR C 1 20 ? -8.94976  0.79515   -1.72006  1.000 10.84199 ? 19  TYR C N   1 
ATOM   1530 C CA  . TYR C 1 20 ? -7.94005  -0.25028  -1.83723  1.000 10.32644 ? 19  TYR C CA  1 
ATOM   1531 C C   . TYR C 1 20 ? -8.61946  -1.59695  -1.66425  1.000 11.09820 ? 19  TYR C C   1 
ATOM   1532 O O   . TYR C 1 20 ? -9.46531  -1.75082  -0.77888  1.000 11.72241 ? 19  TYR C O   1 
ATOM   1533 C CB  . TYR C 1 20 ? -6.84049  -0.05744  -0.77541  1.000 10.99986 ? 19  TYR C CB  1 
ATOM   1534 C CG  . TYR C 1 20 ? -6.21019  1.28927   -0.95066  1.000 9.46668  ? 19  TYR C CG  1 
ATOM   1535 C CD1 . TYR C 1 20 ? -6.76333  2.42185   -0.36570  1.000 11.17113 ? 19  TYR C CD1 1 
ATOM   1536 C CD2 . TYR C 1 20 ? -5.09657  1.44702   -1.76315  1.000 10.72946 ? 19  TYR C CD2 1 
ATOM   1537 C CE1 . TYR C 1 20 ? -6.23552  3.66215   -0.59515  1.000 10.84958 ? 19  TYR C CE1 1 
ATOM   1538 C CE2 . TYR C 1 20 ? -4.55907  2.68513   -1.98964  1.000 10.54407 ? 19  TYR C CE2 1 
ATOM   1539 C CZ  . TYR C 1 20 ? -5.11658  3.79484   -1.39649  1.000 9.83854  ? 19  TYR C CZ  1 
ATOM   1540 O OH  . TYR C 1 20 ? -4.61433  5.04550   -1.63476  1.000 10.90915 ? 19  TYR C OH  1 
ATOM   1541 N N   . THR C 1 21 ? -8.28989  -2.55534  -2.53149  1.000 12.02911 ? 20  THR C N   1 
ATOM   1542 C CA  . THR C 1 21 ? -8.90393  -3.87993  -2.49475  1.000 11.46929 ? 20  THR C CA  1 
ATOM   1543 C C   . THR C 1 21 ? -7.81461  -4.93207  -2.40641  1.000 11.38881 ? 20  THR C C   1 
ATOM   1544 O O   . THR C 1 21 ? -6.94042  -4.98487  -3.27418  1.000 12.45582 ? 20  THR C O   1 
ATOM   1545 C CB  . THR C 1 21 ? -9.75305  -4.12128  -3.74247  1.000 13.54841 ? 20  THR C CB  1 
ATOM   1546 O OG1 . THR C 1 21 ? -10.77312 -3.12670  -3.80983  1.000 12.75817 ? 20  THR C OG1 1 
ATOM   1547 C CG2 . THR C 1 21 ? -10.40988 -5.49130  -3.69109  1.000 13.84550 ? 20  THR C CG2 1 
ATOM   1548 N N   . ALA C 1 22 ? -7.87798  -5.76742  -1.37369  1.000 12.47133 ? 21  ALA C N   1 
ATOM   1549 C CA  . ALA C 1 22 ? -7.03372  -6.94939  -1.26020  1.000 12.56830 ? 21  ALA C CA  1 
ATOM   1550 C C   . ALA C 1 22 ? -7.76925  -8.12176  -1.89591  1.000 13.67865 ? 21  ALA C C   1 
ATOM   1551 O O   . ALA C 1 22 ? -8.87543  -8.46854  -1.47206  1.000 14.69425 ? 21  ALA C O   1 
ATOM   1552 C CB  . ALA C 1 22 ? -6.70480  -7.24573  0.20399   1.000 12.97306 ? 21  ALA C CB  1 
ATOM   1553 N N   . ASN C 1 23 ? -7.15657  -8.72004  -2.91395  1.000 15.14219 ? 22  ASN C N   1 
ATOM   1554 C CA  . ASN C 1 23 ? -7.76583  -9.81255  -3.65955  1.000 16.86787 ? 22  ASN C CA  1 
ATOM   1555 C C   . ASN C 1 23 ? -6.66047  -10.77748 -4.05257  1.000 17.31992 ? 22  ASN C C   1 
ATOM   1556 O O   . ASN C 1 23 ? -5.72980  -10.39424 -4.76527  1.000 17.21292 ? 22  ASN C O   1 
ATOM   1557 C CB  . ASN C 1 23 ? -8.46589  -9.27104  -4.90941  1.000 20.52451 ? 22  ASN C CB  1 
ATOM   1558 C CG  . ASN C 1 23 ? -9.12481  -10.36190 -5.73673  1.000 18.13196 ? 22  ASN C CG  1 
ATOM   1559 O OD1 . ASN C 1 23 ? -9.22363  -11.51137 -5.31047  1.000 24.76180 ? 22  ASN C OD1 1 
ATOM   1560 N ND2 . ASN C 1 23 ? -9.59788  -9.99486  -6.92098  1.000 25.81080 ? 22  ASN C ND2 1 
ATOM   1561 N N   . ASN C 1 24 ? -6.76298  -12.02043 -3.58396  1.000 20.09640 ? 23  ASN C N   1 
ATOM   1562 C CA  . ASN C 1 24 ? -5.80937  -13.07456 -3.93050  1.000 20.90160 ? 23  ASN C CA  1 
ATOM   1563 C C   . ASN C 1 24 ? -4.36583  -12.62385 -3.69960  1.000 21.35875 ? 23  ASN C C   1 
ATOM   1564 O O   . ASN C 1 24 ? -3.48138  -12.81711 -4.53482  1.000 22.27852 ? 23  ASN C O   1 
ATOM   1565 C CB  . ASN C 1 24 ? -6.02770  -13.58409 -5.35670  1.000 24.48827 ? 23  ASN C CB  1 
ATOM   1566 C CG  . ASN C 1 24 ? -5.24360  -14.85410 -5.65185  1.000 37.18335 ? 23  ASN C CG  1 
ATOM   1567 O OD1 . ASN C 1 24 ? -5.16241  -15.75680 -4.81884  1.000 33.69173 ? 23  ASN C OD1 1 
ATOM   1568 N ND2 . ASN C 1 24 ? -4.64973  -14.91981 -6.83778  1.000 39.78257 ? 23  ASN C ND2 1 
ATOM   1569 N N   . GLY C 1 25 ? -4.13740  -11.98382 -2.55359  1.000 20.02397 ? 24  GLY C N   1 
ATOM   1570 C CA  . GLY C 1 25 ? -2.79600  -11.64342 -2.14048  1.000 18.88689 ? 24  GLY C CA  1 
ATOM   1571 C C   . GLY C 1 25 ? -2.23913  -10.35043 -2.69241  1.000 15.61190 ? 24  GLY C C   1 
ATOM   1572 O O   . GLY C 1 25 ? -1.08264  -10.02531 -2.39122  1.000 17.60345 ? 24  GLY C O   1 
ATOM   1573 N N   . LYS C 1 26 ? -3.00924  -9.60190  -3.48527  1.000 14.95071 ? 25  LYS C N   1 
ATOM   1574 C CA  . LYS C 1 26 ? -2.55318  -8.34316  -4.06372  1.000 14.81826 ? 25  LYS C CA  1 
ATOM   1575 C C   . LYS C 1 26 ? -3.53135  -7.23173  -3.72448  1.000 13.32411 ? 25  LYS C C   1 
ATOM   1576 O O   . LYS C 1 26 ? -4.74723  -7.43032  -3.77868  1.000 15.17200 ? 25  LYS C O   1 
ATOM   1577 C CB  . LYS C 1 26 ? -2.42549  -8.43675  -5.58894  1.000 18.57176 ? 25  LYS C CB  1 
ATOM   1578 C CG  . LYS C 1 26 ? -1.26151  -9.30302  -6.06007  1.000 24.86565 ? 25  LYS C CG  1 
ATOM   1579 C CD  . LYS C 1 26 ? 0.06221   -8.80637  -5.48684  1.000 34.44630 ? 25  LYS C CD  1 
ATOM   1580 C CE  . LYS C 1 26 ? 0.92978   -8.14465  -6.54811  1.000 44.29818 ? 25  LYS C CE  1 
ATOM   1581 N NZ  . LYS C 1 26 ? 1.59096   -9.13951  -7.44026  1.000 54.58019 ? 25  LYS C NZ  1 
ATOM   1582 N N   . ILE C 1 27 ? -2.99400  -6.05580  -3.40969  1.000 14.06871 ? 26  ILE C N   1 
ATOM   1583 C CA  . ILE C 1 27 ? -3.79391  -4.85881  -3.16436  1.000 12.27661 ? 26  ILE C CA  1 
ATOM   1584 C C   . ILE C 1 27 ? -3.67143  -3.92777  -4.35846  1.000 12.15960 ? 26  ILE C C   1 
ATOM   1585 O O   . ILE C 1 27 ? -2.56007  -3.59465  -4.78998  1.000 13.61110 ? 26  ILE C O   1 
ATOM   1586 C CB  . ILE C 1 27 ? -3.36289  -4.15224  -1.87144  1.000 13.61009 ? 26  ILE C CB  1 
ATOM   1587 C CG1 . ILE C 1 27 ? -3.50279  -5.09497  -0.67963  1.000 12.91423 ? 26  ILE C CG1 1 
ATOM   1588 C CG2 . ILE C 1 27 ? -4.18077  -2.88251  -1.67261  1.000 15.05723 ? 26  ILE C CG2 1 
ATOM   1589 C CD1 . ILE C 1 27 ? -2.74376  -4.63052  0.54590   1.000 15.86736 ? 26  ILE C CD1 1 
ATOM   1590 N N   . THR C 1 28 ? -4.81052  -3.50966  -4.88952  1.000 12.04755 ? 27  THR C N   1 
ATOM   1591 C CA  . THR C 1 28 ? -4.87299  -2.53178  -5.96186  1.000 11.84148 ? 27  THR C CA  1 
ATOM   1592 C C   . THR C 1 28 ? -5.73372  -1.35693  -5.51303  1.000 12.44557 ? 27  THR C C   1 
ATOM   1593 O O   . THR C 1 28 ? -6.36832  -1.38880  -4.44840  1.000 12.44312 ? 27  THR C O   1 
ATOM   1594 C CB  . THR C 1 28 ? -5.40038  -3.16359  -7.25387  1.000 13.93797 ? 27  THR C CB  1 
ATOM   1595 O OG1 . THR C 1 28 ? -6.64908  -3.80073  -6.98208  1.000 16.30236 ? 27  THR C OG1 1 
ATOM   1596 C CG2 . THR C 1 28 ? -4.41242  -4.20240  -7.77268  1.000 17.41063 ? 27  THR C CG2 1 
ATOM   1597 N N   . GLU C 1 29 ? -5.76078  -0.31564  -6.34315  1.000 10.88045 ? 28  GLU C N   1 
ATOM   1598 C CA  . GLU C 1 29 ? -6.28265  0.98429   -5.94437  1.000 11.17411 ? 28  GLU C CA  1 
ATOM   1599 C C   . GLU C 1 29 ? -7.15503  1.56669   -7.04721  1.000 11.32942 ? 28  GLU C C   1 
ATOM   1600 O O   . GLU C 1 29 ? -6.74943  1.59184   -8.21664  1.000 11.48410 ? 28  GLU C O   1 
ATOM   1601 C CB  . GLU C 1 29 ? -5.12160  1.93772   -5.65360  1.000 11.83380 ? 28  GLU C CB  1 
ATOM   1602 C CG  . GLU C 1 29 ? -5.51324  3.34000   -5.26980  1.000 11.77454 ? 28  GLU C CG  1 
ATOM   1603 C CD  . GLU C 1 29 ? -4.31395  4.27857   -5.28149  1.000 13.03630 ? 28  GLU C CD  1 
ATOM   1604 O OE1 . GLU C 1 29 ? -3.52521  4.21792   -6.24449  1.000 11.77023 ? 28  GLU C OE1 1 
ATOM   1605 O OE2 . GLU C 1 29 ? -4.16241  5.09306   -4.35358  1.000 11.27952 ? 28  GLU C OE2 1 
ATOM   1606 N N   . ARG C 1 30 ? -8.32887  2.06374   -6.67098  1.000 11.00735 ? 29  ARG C N   1 
ATOM   1607 C CA  . ARG C 1 30 ? -9.21490  2.77385   -7.57927  1.000 10.64585 ? 29  ARG C CA  1 
ATOM   1608 C C   . ARG C 1 30 ? -9.40551  4.17839   -7.03578  1.000 10.57623 ? 29  ARG C C   1 
ATOM   1609 O O   . ARG C 1 30 ? -9.47263  4.37735   -5.81348  1.000 10.94856 ? 29  ARG C O   1 
ATOM   1610 C CB  . ARG C 1 30 ? -10.55996 2.06314   -7.71305  1.000 12.94279 ? 29  ARG C CB  1 
ATOM   1611 C CG  . ARG C 1 30 ? -10.44738 0.71068   -8.37806  1.000 13.79027 ? 29  ARG C CG  1 
ATOM   1612 C CD  . ARG C 1 30 ? -10.26462 0.83991   -9.89212  1.000 12.90233 ? 29  ARG C CD  1 
ATOM   1613 N NE  . ARG C 1 30 ? -11.54519 1.10304   -10.54071 1.000 13.49907 ? 29  ARG C NE  1 
ATOM   1614 C CZ  . ARG C 1 30 ? -11.69601 1.44353   -11.81455 1.000 13.40340 ? 29  ARG C CZ  1 
ATOM   1615 N NH1 . ARG C 1 30 ? -10.65475 1.63441   -12.60714 1.000 15.31772 ? 29  ARG C NH1 1 
ATOM   1616 N NH2 . ARG C 1 30 ? -12.92572 1.59847   -12.30238 1.000 16.46547 ? 29  ARG C NH2 1 
ATOM   1617 N N   . CYS C 1 31 ? -9.47882  5.15030   -7.93703  1.000 11.13711 ? 30  CYS C N   1 
ATOM   1618 C CA  . CYS C 1 31 ? -9.38390  6.55959   -7.60368  1.000 10.59601 ? 30  CYS C CA  1 
ATOM   1619 C C   . CYS C 1 31 ? -10.55796 7.32029   -8.18766  1.000 10.79343 ? 30  CYS C C   1 
ATOM   1620 O O   . CYS C 1 31 ? -10.95986 7.07765   -9.33057  1.000 11.72245 ? 30  CYS C O   1 
ATOM   1621 C CB  . CYS C 1 31 ? -8.12635  7.17170   -8.21967  1.000 11.68722 ? 30  CYS C CB  1 
ATOM   1622 S SG  . CYS C 1 31 ? -6.59517  6.29255   -7.88941  1.000 12.17516 ? 30  CYS C SG  1 
ATOM   1623 N N   . TRP C 1 32 ? -11.05913 8.27527   -7.41324  1.000 10.93030 ? 31  TRP C N   1 
ATOM   1624 C CA  . TRP C 1 32 ? -12.07215 9.22606   -7.83879  1.000 12.42839 ? 31  TRP C CA  1 
ATOM   1625 C C   . TRP C 1 32 ? -11.58327 10.61366  -7.46448  1.000 12.31476 ? 31  TRP C C   1 
ATOM   1626 O O   . TRP C 1 32 ? -11.15414 10.83120  -6.32891  1.000 12.87371 ? 31  TRP C O   1 
ATOM   1627 C CB  . TRP C 1 32 ? -13.37807 8.94289   -7.09564  1.000 12.28151 ? 31  TRP C CB  1 
ATOM   1628 C CG  . TRP C 1 32 ? -14.47940 9.94142   -7.34865  1.000 12.27596 ? 31  TRP C CG  1 
ATOM   1629 C CD1 . TRP C 1 32 ? -14.71933 11.10360  -6.67523  1.000 13.43324 ? 31  TRP C CD1 1 
ATOM   1630 C CD2 . TRP C 1 32 ? -15.49170 9.84700   -8.35279  1.000 13.98853 ? 31  TRP C CD2 1 
ATOM   1631 N NE1 . TRP C 1 32 ? -15.82716 11.73737  -7.19803  1.000 14.33541 ? 31  TRP C NE1 1 
ATOM   1632 C CE2 . TRP C 1 32 ? -16.31088 10.98437  -8.23224  1.000 12.90118 ? 31  TRP C CE2 1 
ATOM   1633 C CE3 . TRP C 1 32 ? -15.79107 8.90421   -9.33793  1.000 12.85369 ? 31  TRP C CE3 1 
ATOM   1634 C CZ2 . TRP C 1 32 ? -17.41462 11.19934  -9.05707  1.000 16.36118 ? 31  TRP C CZ2 1 
ATOM   1635 C CZ3 . TRP C 1 32 ? -16.88587 9.12053   -10.15391 1.000 15.28417 ? 31  TRP C CZ3 1 
ATOM   1636 C CH2 . TRP C 1 32 ? -17.67855 10.25861  -10.01005 1.000 15.77917 ? 31  TRP C CH2 1 
ATOM   1637 N N   . ASP C 1 33 ? -11.62423 11.54625  -8.41307  1.000 13.28213 ? 32  ASP C N   1 
ATOM   1638 C CA  . ASP C 1 33 ? -11.31672 12.94397  -8.12874  1.000 15.73043 ? 32  ASP C CA  1 
ATOM   1639 C C   . ASP C 1 33 ? -12.39252 13.85712  -8.69555  1.000 18.67697 ? 32  ASP C C   1 
ATOM   1640 O O   . ASP C 1 33 ? -12.10029 14.97370  -9.13499  1.000 20.37303 ? 32  ASP C O   1 
ATOM   1641 C CB  . ASP C 1 33 ? -9.94515  13.35817  -8.66160  1.000 16.05421 ? 32  ASP C CB  1 
ATOM   1642 C CG  . ASP C 1 33 ? -8.83046  12.42851  -8.22157  1.000 17.72950 ? 32  ASP C CG  1 
ATOM   1643 O OD1 . ASP C 1 33 ? -8.55413  12.32246  -7.00748  1.000 15.18891 ? 32  ASP C OD1 1 
ATOM   1644 O OD2 . ASP C 1 33 ? -8.21122  11.80350  -9.10565  1.000 27.27620 ? 32  ASP C OD2 1 
ATOM   1645 N N   . GLY C 1 34 ? -13.63575 13.38771  -8.71545  1.000 15.74870 ? 33  GLY C N   1 
ATOM   1646 C CA  . GLY C 1 34 ? -14.75027 14.19313  -9.16075  1.000 16.22074 ? 33  GLY C CA  1 
ATOM   1647 C C   . GLY C 1 34 ? -15.18925 13.98657  -10.59436 1.000 15.67938 ? 33  GLY C C   1 
ATOM   1648 O O   . GLY C 1 34 ? -16.17421 14.60949  -11.00824 1.000 17.03382 ? 33  GLY C O   1 
ATOM   1649 N N   . LYS C 1 35 ? -14.51879 13.11788  -11.35860 1.000 13.67775 ? 34  LYS C N   1 
ATOM   1650 C CA  . LYS C 1 35 ? -14.80716 13.01193  -12.78434 1.000 13.60636 ? 34  LYS C CA  1 
ATOM   1651 C C   . LYS C 1 35 ? -14.77750 11.57462  -13.28660 1.000 14.36021 ? 34  LYS C C   1 
ATOM   1652 O O   . LYS C 1 35 ? -14.53892 11.35548  -14.48140 1.000 27.85971 ? 34  LYS C O   1 
ATOM   1653 C CB  . LYS C 1 35 ? -13.82558 13.85270  -13.61724 1.000 19.71688 ? 34  LYS C CB  1 
ATOM   1654 C CG  . LYS C 1 35 ? -13.80862 15.33052  -13.25606 1.000 29.48351 ? 34  LYS C CG  1 
ATOM   1655 C CD  . LYS C 1 35 ? -12.89489 16.13243  -14.16309 1.000 30.96708 ? 34  LYS C CD  1 
ATOM   1656 C CE  . LYS C 1 35 ? -12.74672 17.55214  -13.64800 1.000 34.20791 ? 34  LYS C CE  1 
ATOM   1657 N NZ  . LYS C 1 35 ? -11.89382 18.38835  -14.53575 1.000 47.70477 ? 34  LYS C NZ  1 
ATOM   1658 N N   . GLY C 1 36 ? -15.00956 10.58948  -12.43124 1.000 14.09968 ? 35  GLY C N   1 
ATOM   1659 C CA  . GLY C 1 36 ? -14.96887 9.20517   -12.85719 1.000 14.89387 ? 35  GLY C CA  1 
ATOM   1660 C C   . GLY C 1 36 ? -13.91644 8.37747   -12.14449 1.000 11.87637 ? 35  GLY C C   1 
ATOM   1661 O O   . GLY C 1 36 ? -12.90376 8.91280   -11.67121 1.000 15.02398 ? 35  GLY C O   1 
ATOM   1662 N N   . TRP C 1 37 ? -14.12264 7.06822   -12.07901 1.000 12.84562 ? 36  TRP C N   1 
ATOM   1663 C CA  . TRP C 1 37 ? -13.17900 6.17199   -11.42419 1.000 12.60956 ? 36  TRP C CA  1 
ATOM   1664 C C   . TRP C 1 37 ? -12.08969 5.73651   -12.39234 1.000 13.48781 ? 36  TRP C C   1 
ATOM   1665 O O   . TRP C 1 37 ? -12.34934 5.50701   -13.58000 1.000 15.42059 ? 36  TRP C O   1 
ATOM   1666 C CB  . TRP C 1 37 ? -13.90346 4.93672   -10.88941 1.000 13.74628 ? 36  TRP C CB  1 
ATOM   1667 C CG  . TRP C 1 37 ? -14.78013 5.25389   -9.72551  1.000 12.58155 ? 36  TRP C CG  1 
ATOM   1668 C CD1 . TRP C 1 37 ? -16.12465 5.55124   -9.74604  1.000 12.26149 ? 36  TRP C CD1 1 
ATOM   1669 C CD2 . TRP C 1 37 ? -14.36854 5.33989   -8.35598  1.000 11.99685 ? 36  TRP C CD2 1 
ATOM   1670 N NE1 . TRP C 1 37 ? -16.56226 5.80505   -8.46636  1.000 13.07545 ? 36  TRP C NE1 1 
ATOM   1671 C CE2 . TRP C 1 37 ? -15.51050 5.68302   -7.59436  1.000 11.52109 ? 36  TRP C CE2 1 
ATOM   1672 C CE3 . TRP C 1 37 ? -13.14460 5.14975   -7.69409  1.000 11.75086 ? 36  TRP C CE3 1 
ATOM   1673 C CZ2 . TRP C 1 37 ? -15.46396 5.83431   -6.20088  1.000 11.37795 ? 36  TRP C CZ2 1 
ATOM   1674 C CZ3 . TRP C 1 37 ? -13.10317 5.30222   -6.31195  1.000 12.14274 ? 36  TRP C CZ3 1 
ATOM   1675 C CH2 . TRP C 1 37 ? -14.25622 5.64853   -5.58460  1.000 13.55135 ? 36  TRP C CH2 1 
ATOM   1676 N N   . TYR C 1 38 ? -10.86937 5.61806   -11.87660 1.000 12.44508 ? 37  TYR C N   1 
ATOM   1677 C CA  . TYR C 1 38 ? -9.75347  5.12784   -12.67250 1.000 12.39783 ? 37  TYR C CA  1 
ATOM   1678 C C   . TYR C 1 38 ? -8.78835  4.38737   -11.75573 1.000 12.40152 ? 37  TYR C C   1 
ATOM   1679 O O   . TYR C 1 38 ? -8.81384  4.54811   -10.53155 1.000 13.19320 ? 37  TYR C O   1 
ATOM   1680 C CB  . TYR C 1 38 ? -9.06083  6.26614   -13.43846 1.000 12.63140 ? 37  TYR C CB  1 
ATOM   1681 C CG  . TYR C 1 38 ? -8.46445  7.32367   -12.53789 1.000 13.88788 ? 37  TYR C CG  1 
ATOM   1682 C CD1 . TYR C 1 38 ? -9.24624  8.34133   -12.00815 1.000 15.77667 ? 37  TYR C CD1 1 
ATOM   1683 C CD2 . TYR C 1 38 ? -7.11953  7.29456   -12.20502 1.000 13.73139 ? 37  TYR C CD2 1 
ATOM   1684 C CE1 . TYR C 1 38 ? -8.70777  9.29842   -11.17404 1.000 13.70551 ? 37  TYR C CE1 1 
ATOM   1685 C CE2 . TYR C 1 38 ? -6.57071  8.25035   -11.37347 1.000 16.53745 ? 37  TYR C CE2 1 
ATOM   1686 C CZ  . TYR C 1 38 ? -7.36559  9.25343   -10.86914 1.000 16.58604 ? 37  TYR C CZ  1 
ATOM   1687 O OH  . TYR C 1 38 ? -6.81323  10.19409  -10.03496 1.000 17.48582 ? 37  TYR C OH  1 
ATOM   1688 N N   . THR C 1 39 ? -7.92771  3.57460   -12.35419 1.000 11.62647 ? 38  THR C N   1 
ATOM   1689 C CA  . THR C 1 39 ? -6.99228  2.76325   -11.58292 1.000 12.34628 ? 38  THR C CA  1 
ATOM   1690 C C   . THR C 1 39 ? -5.75227  3.56686   -11.19508 1.000 11.46983 ? 38  THR C C   1 
ATOM   1691 O O   . THR C 1 39 ? -5.17510  4.28246   -12.02260 1.000 12.60943 ? 38  THR C O   1 
ATOM   1692 C CB  . THR C 1 39 ? -6.61934  1.51647   -12.38408 1.000 13.88474 ? 38  THR C CB  1 
ATOM   1693 O OG1 . THR C 1 39 ? -7.79873  0.71435   -12.54424 1.000 15.35439 ? 38  THR C OG1 1 
ATOM   1694 C CG2 . THR C 1 39 ? -5.54589  0.70290   -11.66408 1.000 14.79414 ? 38  THR C CG2 1 
ATOM   1695 N N   . GLY C 1 40 ? -5.36415  3.46784   -9.91850  1.000 11.97694 ? 39  GLY C N   1 
ATOM   1696 C CA  . GLY C 1 40 ? -4.21231  4.18252   -9.40163  1.000 12.48829 ? 39  GLY C CA  1 
ATOM   1697 C C   . GLY C 1 40 ? -2.91965  3.39174   -9.48423  1.000 10.72064 ? 39  GLY C C   1 
ATOM   1698 O O   . GLY C 1 40 ? -2.88515  2.22145   -9.84568  1.000 11.21428 ? 39  GLY C O   1 
ATOM   1699 N N   . ALA C 1 41 ? -1.83106  4.05265   -9.09147  1.000 12.37729 ? 40  ALA C N   1 
ATOM   1700 C CA  . ALA C 1 41 ? -0.52515  3.42309   -9.18288  1.000 14.04602 ? 40  ALA C CA  1 
ATOM   1701 C C   . ALA C 1 41 ? -0.24814  2.42747   -8.06059  1.000 12.83728 ? 40  ALA C C   1 
ATOM   1702 O O   . ALA C 1 41 ? 0.67623   1.62319   -8.19444  1.000 13.99376 ? 40  ALA C O   1 
ATOM   1703 C CB  . ALA C 1 41 ? 0.58089   4.47785   -9.22255  1.000 12.84769 ? 40  ALA C CB  1 
ATOM   1704 N N   . PHE C 1 42 ? -1.00398  2.44513   -6.96249  1.000 12.46910 ? 41  PHE C N   1 
ATOM   1705 C CA  . PHE C 1 42 ? -0.66868  1.55234   -5.85686  1.000 11.66660 ? 41  PHE C CA  1 
ATOM   1706 C C   . PHE C 1 42 ? -0.93241  0.09547   -6.23044  1.000 13.17754 ? 41  PHE C C   1 
ATOM   1707 O O   . PHE C 1 42 ? -2.06546  -0.27243  -6.55410  1.000 13.11863 ? 41  PHE C O   1 
ATOM   1708 C CB  . PHE C 1 42 ? -1.44482  1.90368   -4.59516  1.000 12.13415 ? 41  PHE C CB  1 
ATOM   1709 C CG  . PHE C 1 42 ? -1.03120  1.07091   -3.42326  1.000 13.41898 ? 41  PHE C CG  1 
ATOM   1710 C CD1 . PHE C 1 42 ? 0.08177   1.42061   -2.67784  1.000 19.49036 ? 41  PHE C CD1 1 
ATOM   1711 C CD2 . PHE C 1 42 ? -1.69655  -0.10078  -3.10711  1.000 14.42894 ? 41  PHE C CD2 1 
ATOM   1712 C CE1 . PHE C 1 42 ? 0.49312   0.64199   -1.61300  1.000 20.19686 ? 41  PHE C CE1 1 
ATOM   1713 C CE2 . PHE C 1 42 ? -1.28489  -0.88660  -2.04385  1.000 14.23636 ? 41  PHE C CE2 1 
ATOM   1714 C CZ  . PHE C 1 42 ? -0.18931  -0.51477  -1.29820  1.000 13.01503 ? 41  PHE C CZ  1 
ATOM   1715 N N   . ASN C 1 43 ? 0.09397   -0.74409  -6.12513  1.000 13.16034 ? 42  ASN C N   1 
ATOM   1716 C CA  . ASN C 1 43 ? -0.04260  -2.17679  -6.37695  1.000 13.11555 ? 42  ASN C CA  1 
ATOM   1717 C C   . ASN C 1 43 ? 1.04631   -2.87526  -5.56816  1.000 15.30329 ? 42  ASN C C   1 
ATOM   1718 O O   . ASN C 1 43 ? 2.20833   -2.88388  -5.98155  1.000 16.87068 ? 42  ASN C O   1 
ATOM   1719 C CB  . ASN C 1 43 ? 0.09087   -2.47288  -7.86948  1.000 18.65892 ? 42  ASN C CB  1 
ATOM   1720 C CG  . ASN C 1 43 ? -0.15299  -3.94065  -8.21212  1.000 26.05468 ? 42  ASN C CG  1 
ATOM   1721 O OD1 . ASN C 1 43 ? 0.38052   -4.84575  -7.57007  1.000 32.63067 ? 42  ASN C OD1 1 
ATOM   1722 N ND2 . ASN C 1 43 ? -0.96222  -4.17697  -9.23862  1.000 29.18783 ? 42  ASN C ND2 1 
ATOM   1723 N N   . GLU C 1 44 ? 0.67396   -3.45079  -4.43098  1.000 15.16377 ? 43  GLU C N   1 
ATOM   1724 C CA  . GLU C 1 44 ? 1.62324   -4.11867  -3.55367  1.000 12.59217 ? 43  GLU C CA  1 
ATOM   1725 C C   . GLU C 1 44 ? 0.97315   -5.34702  -2.94065  1.000 13.92849 ? 43  GLU C C   1 
ATOM   1726 O O   . GLU C 1 44 ? -0.25797  -5.44750  -2.89275  1.000 13.36744 ? 43  GLU C O   1 
ATOM   1727 C CB  . GLU C 1 44 ? 2.14015   -3.19102  -2.44264  1.000 15.63704 ? 43  GLU C CB  1 
ATOM   1728 C CG  . GLU C 1 44 ? 2.86460   -1.94547  -2.93117  1.000 18.05019 ? 43  GLU C CG  1 
ATOM   1729 C CD  . GLU C 1 44 ? 4.12194   -2.23416  -3.74470  1.000 20.90125 ? 43  GLU C CD  1 
ATOM   1730 O OE1 . GLU C 1 44 ? 4.65616   -3.36078  -3.68067  1.000 20.18313 ? 43  GLU C OE1 1 
ATOM   1731 O OE2 . GLU C 1 44 ? 4.57662   -1.32176  -4.46682  1.000 25.04164 ? 43  GLU C OE2 1 
ATOM   1732 N N   . PRO C 1 45 ? 1.77027   -6.30486  -2.47031  1.000 13.58165 ? 44  PRO C N   1 
ATOM   1733 C CA  . PRO C 1 45 ? 1.18992   -7.53036  -1.91155  1.000 13.37991 ? 44  PRO C CA  1 
ATOM   1734 C C   . PRO C 1 45 ? 0.47341   -7.27720  -0.59494  1.000 13.93518 ? 44  PRO C C   1 
ATOM   1735 O O   . PRO C 1 45 ? 0.89098   -6.45409  0.22646   1.000 15.32996 ? 44  PRO C O   1 
ATOM   1736 C CB  . PRO C 1 45 ? 2.40842   -8.43906  -1.69271  1.000 19.77102 ? 44  PRO C CB  1 
ATOM   1737 C CG  . PRO C 1 45 ? 3.48778   -7.86418  -2.53724  1.000 19.86075 ? 44  PRO C CG  1 
ATOM   1738 C CD  . PRO C 1 45 ? 3.23773   -6.39705  -2.59222  1.000 16.61615 ? 44  PRO C CD  1 
ATOM   1739 N N   . GLY C 1 46 ? -0.61298  -8.01278  -0.39716  1.000 14.02627 ? 45  GLY C N   1 
ATOM   1740 C CA  . GLY C 1 46 ? -1.29077  -8.01990  0.87964   1.000 14.78763 ? 45  GLY C CA  1 
ATOM   1741 C C   . GLY C 1 46 ? -2.57460  -8.81623  0.84154   1.000 14.06729 ? 45  GLY C C   1 
ATOM   1742 O O   . GLY C 1 46 ? -3.29463  -8.81570  -0.16401  1.000 15.25418 ? 45  GLY C O   1 
ATOM   1743 N N   . ASP C 1 47 ? -2.86887  -9.49871  1.94674   1.000 13.57415 ? 46  ASP C N   1 
ATOM   1744 C CA  . ASP C 1 47 ? -4.15409  -10.14625 2.13549   1.000 15.45400 ? 46  ASP C CA  1 
ATOM   1745 C C   . ASP C 1 47 ? -5.13717  -9.28924  2.91209   1.000 13.61856 ? 46  ASP C C   1 
ATOM   1746 O O   . ASP C 1 47 ? -6.33057  -9.58260  2.89729   1.000 15.04937 ? 46  ASP C O   1 
ATOM   1747 C CB  . ASP C 1 47 ? -3.97399  -11.46495 2.89163   1.000 18.13870 ? 46  ASP C CB  1 
ATOM   1748 C CG  . ASP C 1 47 ? -3.32606  -12.53698 2.04498   1.000 24.73685 ? 46  ASP C CG  1 
ATOM   1749 O OD1 . ASP C 1 47 ? -3.74395  -12.71011 0.88166   1.000 26.39080 ? 46  ASP C OD1 1 
ATOM   1750 O OD2 . ASP C 1 47 ? -2.39691  -13.20011 2.54626   1.000 28.50697 ? 46  ASP C OD2 1 
ATOM   1751 N N   . ASN C 1 48 ? -4.65727  -8.25911  3.59988   1.000 12.21169 ? 47  ASN C N   1 
ATOM   1752 C CA  . ASN C 1 48 ? -5.49500  -7.35199  4.36841   1.000 11.67107 ? 47  ASN C CA  1 
ATOM   1753 C C   . ASN C 1 48 ? -4.97131  -5.94033  4.16138   1.000 11.23959 ? 47  ASN C C   1 
ATOM   1754 O O   . ASN C 1 48 ? -3.76057  -5.73520  4.04702   1.000 12.29770 ? 47  ASN C O   1 
ATOM   1755 C CB  . ASN C 1 48 ? -5.42005  -7.68799  5.86449   1.000 14.45626 ? 47  ASN C CB  1 
ATOM   1756 C CG  . ASN C 1 48 ? -6.15859  -6.68769  6.71814   1.000 14.35721 ? 47  ASN C CG  1 
ATOM   1757 O OD1 . ASN C 1 48 ? -5.55566  -5.79822  7.31974   1.000 13.42580 ? 47  ASN C OD1 1 
ATOM   1758 N ND2 . ASN C 1 48 ? -7.47981  -6.81492  6.75924   1.000 14.29432 ? 47  ASN C ND2 1 
ATOM   1759 N N   . VAL C 1 49 ? -5.87718  -4.96212  4.17361   1.000 12.40981 ? 48  VAL C N   1 
ATOM   1760 C CA  . VAL C 1 49 ? -5.49888  -3.57329  3.94547   1.000 10.44387 ? 48  VAL C CA  1 
ATOM   1761 C C   . VAL C 1 49 ? -6.30229  -2.64827  4.85358   1.000 10.96218 ? 48  VAL C C   1 
ATOM   1762 O O   . VAL C 1 49 ? -7.50499  -2.84190  5.06081   1.000 11.16713 ? 48  VAL C O   1 
ATOM   1763 C CB  . VAL C 1 49 ? -5.63667  -3.18512  2.45004   1.000 11.13991 ? 48  VAL C CB  1 
ATOM   1764 C CG1 . VAL C 1 49 ? -7.08701  -3.32597  1.95813   1.000 12.84325 ? 48  VAL C CG1 1 
ATOM   1765 C CG2 . VAL C 1 49 ? -5.11909  -1.78029  2.20450   1.000 14.09309 ? 48  VAL C CG2 1 
ATOM   1766 N N   . SER C 1 50 ? -5.63728  -1.62342  5.37236   1.000 9.90428  ? 49  SER C N   1 
ATOM   1767 C CA  . SER C 1 50 ? -6.29942  -0.46338  5.94973   1.000 9.33796  ? 49  SER C CA  1 
ATOM   1768 C C   . SER C 1 50 ? -5.60695  0.77765   5.41434   1.000 9.69983  ? 49  SER C C   1 
ATOM   1769 O O   . SER C 1 50 ? -4.50782  0.70179   4.86851   1.000 10.27743 ? 49  SER C O   1 
ATOM   1770 C CB  . SER C 1 50 ? -6.28405  -0.47740  7.48918   1.000 9.77875  ? 49  SER C CB  1 
ATOM   1771 O OG  . SER C 1 50 ? -4.97824  -0.34695  8.03325   1.000 10.44788 ? 49  SER C OG  1 
ATOM   1772 N N   . VAL C 1 51 ? -6.23185  1.93865   5.59548   1.000 9.45683  ? 50  VAL C N   1 
ATOM   1773 C CA  . VAL C 1 51 ? -5.69637  3.18315   5.05886   1.000 10.04856 ? 50  VAL C CA  1 
ATOM   1774 C C   . VAL C 1 51 ? -6.09661  4.35058   5.94858   1.000 10.69642 ? 50  VAL C C   1 
ATOM   1775 O O   . VAL C 1 51 ? -7.16802  4.35357   6.56576   1.000 11.14564 ? 50  VAL C O   1 
ATOM   1776 C CB  . VAL C 1 51 ? -6.15129  3.41318   3.59393   1.000 9.64132  ? 50  VAL C CB  1 
ATOM   1777 C CG1 . VAL C 1 51 ? -7.65983  3.60864   3.52122   1.000 11.37736 ? 50  VAL C CG1 1 
ATOM   1778 C CG2 . VAL C 1 51 ? -5.43069  4.59726   2.97990   1.000 11.31911 ? 50  VAL C CG2 1 
ATOM   1779 N N   . THR C 1 52 ? -5.22536  5.35256   6.00842   1.000 9.39273  ? 51  THR C N   1 
ATOM   1780 C CA  . THR C 1 52 ? -5.58651  6.64828   6.54623   1.000 11.17300 ? 51  THR C CA  1 
ATOM   1781 C C   . THR C 1 52 ? -4.89091  7.70043   5.70048   1.000 10.00144 ? 51  THR C C   1 
ATOM   1782 O O   . THR C 1 52 ? -3.89117  7.42152   5.03277   1.000 11.52154 ? 51  THR C O   1 
ATOM   1783 C CB  . THR C 1 52 ? -5.24009  6.74866   8.04354   1.000 10.22481 ? 51  THR C CB  1 
ATOM   1784 O OG1 . THR C 1 52 ? -5.77364  7.95296   8.59817   1.000 10.52023 ? 51  THR C OG1 1 
ATOM   1785 C CG2 . THR C 1 52 ? -3.74163  6.72610   8.27902   1.000 11.96748 ? 51  THR C CG2 1 
ATOM   1786 N N   . SER C 1 53 ? -5.40882  8.92277   5.74418   1.000 10.41428 ? 52  SER C N   1 
ATOM   1787 C CA  . SER C 1 53 ? -4.78939  10.00665  4.99571   1.000 10.87737 ? 52  SER C CA  1 
ATOM   1788 C C   . SER C 1 53 ? -5.03169  11.31289  5.72648   1.000 12.03070 ? 52  SER C C   1 
ATOM   1789 O O   . SER C 1 53 ? -5.98820  11.44799  6.48644   1.000 12.40353 ? 52  SER C O   1 
ATOM   1790 C CB  . SER C 1 53 ? -5.32429  10.10699  3.55863   1.000 11.63731 ? 52  SER C CB  1 
ATOM   1791 O OG  . SER C 1 53 ? -6.68821  10.50520  3.52173   1.000 11.99696 ? 52  SER C OG  1 
ATOM   1792 N N   . TRP C 1 54 ? -4.18032  12.29228  5.44520   1.000 12.13508 ? 53  TRP C N   1 
ATOM   1793 C CA  . TRP C 1 54 ? -4.31655  13.60529  6.05252   1.000 12.85862 ? 53  TRP C CA  1 
ATOM   1794 C C   . TRP C 1 54 ? -3.77304  14.65011  5.09425   1.000 12.87294 ? 53  TRP C C   1 
ATOM   1795 O O   . TRP C 1 54 ? -2.88997  14.36775  4.27844   1.000 13.68015 ? 53  TRP C O   1 
ATOM   1796 C CB  . TRP C 1 54 ? -3.57432  13.70509  7.39625   1.000 13.48149 ? 53  TRP C CB  1 
ATOM   1797 C CG  . TRP C 1 54 ? -2.09510  13.56065  7.27549   1.000 13.44190 ? 53  TRP C CG  1 
ATOM   1798 C CD1 . TRP C 1 54 ? -1.18622  14.56494  7.13106   1.000 15.89779 ? 53  TRP C CD1 1 
ATOM   1799 C CD2 . TRP C 1 54 ? -1.35065  12.33989  7.26375   1.000 13.43293 ? 53  TRP C CD2 1 
ATOM   1800 N NE1 . TRP C 1 54 ? 0.07968   14.04780  7.04379   1.000 14.00318 ? 53  TRP C NE1 1 
ATOM   1801 C CE2 . TRP C 1 54 ? 0.00626   12.68142  7.11152   1.000 13.18855 ? 53  TRP C CE2 1 
ATOM   1802 C CE3 . TRP C 1 54 ? -1.69934  10.98819  7.37519   1.000 12.41284 ? 53  TRP C CE3 1 
ATOM   1803 C CZ2 . TRP C 1 54 ? 1.01670   11.72490  7.06656   1.000 14.13359 ? 53  TRP C CZ2 1 
ATOM   1804 C CZ3 . TRP C 1 54 ? -0.69150  10.03678  7.32339   1.000 13.09871 ? 53  TRP C CZ3 1 
ATOM   1805 C CH2 . TRP C 1 54 ? 0.64936   10.41126  7.17341   1.000 13.68847 ? 53  TRP C CH2 1 
ATOM   1806 N N   . LEU C 1 55 ? -4.29975  15.86171  5.21564   1.000 15.45745 ? 54  LEU C N   1 
ATOM   1807 C CA  . LEU C 1 55 ? -3.83915  16.99490  4.43106   1.000 15.23939 ? 54  LEU C CA  1 
ATOM   1808 C C   . LEU C 1 55 ? -2.82779  17.80792  5.22496   1.000 16.17445 ? 54  LEU C C   1 
ATOM   1809 O O   . LEU C 1 55 ? -2.98315  18.01946  6.43316   1.000 18.69551 ? 54  LEU C O   1 
ATOM   1810 C CB  . LEU C 1 55 ? -5.01086  17.89679  4.04961   1.000 18.53946 ? 54  LEU C CB  1 
ATOM   1811 C CG  . LEU C 1 55 ? -5.96099  17.33454  3.00128   1.000 17.12755 ? 54  LEU C CG  1 
ATOM   1812 C CD1 . LEU C 1 55 ? -7.23183  18.16805  2.95451   1.000 20.84123 ? 54  LEU C CD1 1 
ATOM   1813 C CD2 . LEU C 1 55 ? -5.28157  17.31162  1.64832   1.000 18.75782 ? 54  LEU C CD2 1 
ATOM   1814 N N   . VAL C 1 56 ? -1.78680  18.24685  4.53518   1.000 19.59463 ? 55  VAL C N   1 
ATOM   1815 C CA  . VAL C 1 56 ? -0.92662  19.32735  4.99051   1.000 20.64304 ? 55  VAL C CA  1 
ATOM   1816 C C   . VAL C 1 56 ? -1.18399  20.46144  4.00944   1.000 18.88248 ? 55  VAL C C   1 
ATOM   1817 O O   . VAL C 1 56 ? -0.72132  20.41976  2.86584   1.000 19.76502 ? 55  VAL C O   1 
ATOM   1818 C CB  . VAL C 1 56 ? 0.54972   18.91612  5.02288   1.000 20.36527 ? 55  VAL C CB  1 
ATOM   1819 C CG1 . VAL C 1 56 ? 1.42223   20.08676  5.46949   1.000 28.17680 ? 55  VAL C CG1 1 
ATOM   1820 C CG2 . VAL C 1 56 ? 0.74306   17.71529  5.94821   1.000 22.01058 ? 55  VAL C CG2 1 
ATOM   1821 N N   . GLY C 1 57 ? -1.96634  21.44916  4.43228   1.000 22.50476 ? 56  GLY C N   1 
ATOM   1822 C CA  . GLY C 1 57 ? -2.44617  22.45398  3.50486   1.000 27.17543 ? 56  GLY C CA  1 
ATOM   1823 C C   . GLY C 1 57 ? -3.31301  21.84108  2.42219   1.000 22.20008 ? 56  GLY C C   1 
ATOM   1824 O O   . GLY C 1 57 ? -4.40189  21.32971  2.70644   1.000 29.72873 ? 56  GLY C O   1 
ATOM   1825 N N   . SER C 1 58 ? -2.83459  21.87642  1.17645   1.000 20.91610 ? 57  SER C N   1 
ATOM   1826 C CA  . SER C 1 58 ? -3.52575  21.26415  0.04970   1.000 22.77690 ? 57  SER C CA  1 
ATOM   1827 C C   . SER C 1 58 ? -2.95524  19.90743  -0.34586  1.000 26.63983 ? 57  SER C C   1 
ATOM   1828 O O   . SER C 1 58 ? -3.52455  19.25237  -1.22581  1.000 28.59785 ? 57  SER C O   1 
ATOM   1829 C CB  . SER C 1 58 ? -3.49021  22.19661  -1.17163  1.000 33.98393 ? 57  SER C CB  1 
ATOM   1830 O OG  . SER C 1 58 ? -4.36706  23.29842  -1.01162  1.000 33.34248 ? 57  SER C OG  1 
ATOM   1831 N N   . ALA C 1 59 ? -1.85978  19.46860  0.27490   1.000 21.53719 ? 58  ALA C N   1 
ATOM   1832 C CA  . ALA C 1 59 ? -1.16357  18.25559  -0.14074  1.000 22.23914 ? 58  ALA C CA  1 
ATOM   1833 C C   . ALA C 1 59 ? -1.64497  17.05120  0.66265   1.000 18.73313 ? 58  ALA C C   1 
ATOM   1834 O O   . ALA C 1 59 ? -1.66388  17.08378  1.89724   1.000 17.93659 ? 58  ALA C O   1 
ATOM   1835 C CB  . ALA C 1 59 ? 0.34527   18.42427  0.03886   1.000 23.03099 ? 58  ALA C CB  1 
ATOM   1836 N N   . ILE C 1 60 ? -2.01126  15.98501  -0.03942  1.000 16.32489 ? 59  ILE C N   1 
ATOM   1837 C CA  . ILE C 1 60 ? -2.48249  14.76530  0.60405   1.000 15.22853 ? 59  ILE C CA  1 
ATOM   1838 C C   . ILE C 1 60 ? -1.30772  13.86015  0.93335   1.000 15.00380 ? 59  ILE C C   1 
ATOM   1839 O O   . ILE C 1 60 ? -0.33377  13.76043  0.18072   1.000 15.78802 ? 59  ILE C O   1 
ATOM   1840 C CB  . ILE C 1 60 ? -3.52769  14.04120  -0.26724  1.000 16.28322 ? 59  ILE C CB  1 
ATOM   1841 C CG1 . ILE C 1 60 ? -4.26061  12.97933  0.55599   1.000 15.62150 ? 59  ILE C CG1 1 
ATOM   1842 C CG2 . ILE C 1 60 ? -2.89089  13.38907  -1.48225  1.000 17.37748 ? 59  ILE C CG2 1 
ATOM   1843 C CD1 . ILE C 1 60 ? -5.03566  13.55222  1.72381   1.000 14.79259 ? 59  ILE C CD1 1 
ATOM   1844 N N   . HIS C 1 61 ? -1.40510  13.20653  2.08297   1.000 13.20590 ? 60  HIS C N   1 
ATOM   1845 C CA  . HIS C 1 61 ? -0.46703  12.18587  2.50765   1.000 12.37580 ? 60  HIS C CA  1 
ATOM   1846 C C   . HIS C 1 61 ? -1.28721  10.95829  2.84356   1.000 11.89780 ? 60  HIS C C   1 
ATOM   1847 O O   . HIS C 1 61 ? -2.25824  11.05707  3.59702   1.000 13.44436 ? 60  HIS C O   1 
ATOM   1848 C CB  . HIS C 1 61 ? 0.30171   12.68301  3.72059   1.000 13.35799 ? 60  HIS C CB  1 
ATOM   1849 C CG  . HIS C 1 61 ? 1.11322   13.90063  3.42355   1.000 14.31604 ? 60  HIS C CG  1 
ATOM   1850 N ND1 . HIS C 1 61 ? 2.43468   13.83102  3.04346   1.000 16.03069 ? 60  HIS C ND1 1 
ATOM   1851 C CD2 . HIS C 1 61 ? 0.77413   15.21090  3.37844   1.000 15.36930 ? 60  HIS C CD2 1 
ATOM   1852 C CE1 . HIS C 1 61 ? 2.88734   15.05145  2.81050   1.000 17.68969 ? 60  HIS C CE1 1 
ATOM   1853 N NE2 . HIS C 1 61 ? 1.90094   15.90727  3.01094   1.000 18.27728 ? 60  HIS C NE2 1 
ATOM   1854 N N   . ILE C 1 62 ? -0.93503  9.82152   2.25655   1.000 10.65548 ? 61  ILE C N   1 
ATOM   1855 C CA  . ILE C 1 62 ? -1.70842  8.59604   2.41108   1.000 10.72100 ? 61  ILE C CA  1 
ATOM   1856 C C   . ILE C 1 62 ? -0.79971  7.53695   3.00900   1.000 10.56572 ? 61  ILE C C   1 
ATOM   1857 O O   . ILE C 1 62 ? 0.37092   7.43216   2.62548   1.000 10.69370 ? 61  ILE C O   1 
ATOM   1858 C CB  . ILE C 1 62 ? -2.26295  8.09164   1.06427   1.000 10.50503 ? 61  ILE C CB  1 
ATOM   1859 C CG1 . ILE C 1 62 ? -2.92650  9.22240   0.27712   1.000 12.93745 ? 61  ILE C CG1 1 
ATOM   1860 C CG2 . ILE C 1 62 ? -3.25329  6.96809   1.30586   1.000 10.77331 ? 61  ILE C CG2 1 
ATOM   1861 C CD1 . ILE C 1 62 ? -3.27863  8.84693   -1.15437  1.000 12.50874 ? 61  ILE C CD1 1 
ATOM   1862 N N   . ARG C 1 63 ? -1.33926  6.74276   3.93445   1.000 10.60040 ? 62  ARG C N   1 
ATOM   1863 C CA  . ARG C 1 63 ? -0.63181  5.60232   4.50623   1.000 11.19739 ? 62  ARG C CA  1 
ATOM   1864 C C   . ARG C 1 63 ? -1.50477  4.36689   4.35769   1.000 9.77557  ? 62  ARG C C   1 
ATOM   1865 O O   . ARG C 1 63 ? -2.63819  4.33592   4.85329   1.000 10.42625 ? 62  ARG C O   1 
ATOM   1866 C CB  . ARG C 1 63 ? -0.28302  5.83493   5.97831   1.000 11.11891 ? 62  ARG C CB  1 
ATOM   1867 C CG  . ARG C 1 63 ? 0.67210   7.00220   6.20772   1.000 10.53629 ? 62  ARG C CG  1 
ATOM   1868 C CD  . ARG C 1 63 ? 2.04679   6.75300   5.59852   1.000 11.46908 ? 62  ARG C CD  1 
ATOM   1869 N NE  . ARG C 1 63 ? 2.96518   7.86734   5.80887   1.000 11.47325 ? 62  ARG C NE  1 
ATOM   1870 C CZ  . ARG C 1 63 ? 3.06454   8.93409   5.02821   1.000 12.34697 ? 62  ARG C CZ  1 
ATOM   1871 N NH1 . ARG C 1 63 ? 2.35632   9.05085   3.91536   1.000 11.99604 ? 62  ARG C NH1 1 
ATOM   1872 N NH2 . ARG C 1 63 ? 3.90057   9.91162   5.37069   1.000 13.72361 ? 62  ARG C NH2 1 
ATOM   1873 N N   . VAL C 1 64 ? -0.99687  3.37529   3.64157   1.000 10.37609 ? 63  VAL C N   1 
ATOM   1874 C CA  . VAL C 1 64 ? -1.67583  2.10892   3.41502   1.000 10.53842 ? 63  VAL C CA  1 
ATOM   1875 C C   . VAL C 1 64 ? -0.94781  1.03215   4.20575   1.000 9.97373  ? 63  VAL C C   1 
ATOM   1876 O O   . VAL C 1 64 ? 0.27298   0.88485   4.08515   1.000 11.42578 ? 63  VAL C O   1 
ATOM   1877 C CB  . VAL C 1 64 ? -1.72241  1.76461   1.91660   1.000 11.22010 ? 63  VAL C CB  1 
ATOM   1878 C CG1 . VAL C 1 64 ? -2.29623  0.37776   1.71163   1.000 12.09662 ? 63  VAL C CG1 1 
ATOM   1879 C CG2 . VAL C 1 64 ? -2.53695  2.81007   1.15474   1.000 12.63548 ? 63  VAL C CG2 1 
ATOM   1880 N N   . TYR C 1 65 ? -1.68895  0.29163   5.02010   1.000 9.87883  ? 64  TYR C N   1 
ATOM   1881 C CA  . TYR C 1 65 ? -1.13822  -0.77248  5.86048   1.000 10.71592 ? 64  TYR C CA  1 
ATOM   1882 C C   . TYR C 1 65 ? -1.51189  -2.10554  5.22902   1.000 10.35337 ? 64  TYR C C   1 
ATOM   1883 O O   . TYR C 1 65 ? -2.68580  -2.48570  5.21517   1.000 10.63590 ? 64  TYR C O   1 
ATOM   1884 C CB  . TYR C 1 65 ? -1.57503  -0.63127  7.32610   1.000 10.18874 ? 64  TYR C CB  1 
ATOM   1885 C CG  . TYR C 1 65 ? -1.07686  0.68759   7.85766   1.000 10.27043 ? 64  TYR C CG  1 
ATOM   1886 C CD1 . TYR C 1 65 ? 0.20453   0.80477   8.36103   1.000 10.11772 ? 64  TYR C CD1 1 
ATOM   1887 C CD2 . TYR C 1 65 ? -1.84744  1.83924   7.75043   1.000 9.81502  ? 64  TYR C CD2 1 
ATOM   1888 C CE1 . TYR C 1 65 ? 0.68685   2.02594   8.77641   1.000 10.57192 ? 64  TYR C CE1 1 
ATOM   1889 C CE2 . TYR C 1 65 ? -1.37250  3.06199   8.14380   1.000 9.84882  ? 64  TYR C CE2 1 
ATOM   1890 C CZ  . TYR C 1 65 ? -0.09331  3.15525   8.66190   1.000 9.87228  ? 64  TYR C CZ  1 
ATOM   1891 O OH  . TYR C 1 65 ? 0.37780   4.38983   9.03611   1.000 10.79467 ? 64  TYR C OH  1 
ATOM   1892 N N   . ALA C 1 66 ? -0.51390  -2.76808  4.64077   1.000 10.22355 ? 65  ALA C N   1 
ATOM   1893 C CA  . ALA C 1 66 ? -0.69661  -4.00480  3.89207   1.000 11.64708 ? 65  ALA C CA  1 
ATOM   1894 C C   . ALA C 1 66 ? -0.17608  -5.15557  4.73487   1.000 11.41185 ? 65  ALA C C   1 
ATOM   1895 O O   . ALA C 1 66 ? 0.98939   -5.15046  5.13917   1.000 13.28740 ? 65  ALA C O   1 
ATOM   1896 C CB  . ALA C 1 66 ? 0.06197   -3.93682  2.56641   1.000 12.72337 ? 65  ALA C CB  1 
ATOM   1897 N N   . SER C 1 67 ? -1.01425  -6.14150  4.99158   1.000 12.11425 ? 66  SER C N   1 
ATOM   1898 C CA  . SER C 1 67 ? -0.60473  -7.24652  5.84530   1.000 13.21532 ? 66  SER C CA  1 
ATOM   1899 C C   . SER C 1 67 ? -0.68873  -8.57759  5.11560   1.000 13.90045 ? 66  SER C C   1 
ATOM   1900 O O   . SER C 1 67 ? -1.64795  -8.84609  4.39241   1.000 14.44651 ? 66  SER C O   1 
ATOM   1901 C CB  . SER C 1 67 ? -1.42356  -7.30821  7.12912   1.000 14.87837 ? 66  SER C CB  1 
ATOM   1902 O OG  . SER C 1 67 ? -1.24716  -6.13245  7.89765   1.000 14.76904 ? 66  SER C OG  1 
ATOM   1903 N N   . THR C 1 68 ? 0.33591   -9.39894  5.32488   1.000 14.89641 ? 67  THR C N   1 
ATOM   1904 C CA  . THR C 1 68 ? 0.35835   -10.79091 4.90150   1.000 18.74976 ? 67  THR C CA  1 
ATOM   1905 C C   . THR C 1 68 ? 0.88393   -11.58216 6.08832   1.000 14.19745 ? 67  THR C C   1 
ATOM   1906 O O   . THR C 1 68 ? 1.92454   -11.23519 6.64783   1.000 16.10848 ? 67  THR C O   1 
ATOM   1907 C CB  . THR C 1 68 ? 1.28045   -10.98529 3.68713   1.000 18.25232 ? 67  THR C CB  1 
ATOM   1908 O OG1 . THR C 1 68 ? 0.87597   -10.12204 2.61135   1.000 18.77934 ? 67  THR C OG1 1 
ATOM   1909 C CG2 . THR C 1 68 ? 1.22229   -12.43022 3.20987   1.000 23.35998 ? 67  THR C CG2 1 
ATOM   1910 N N   . GLY C 1 69 ? 0.15300   -12.61220 6.49118   1.000 16.18504 ? 68  GLY C N   1 
ATOM   1911 C CA  . GLY C 1 69 ? 0.47100   -13.26545 7.75072   1.000 20.91679 ? 68  GLY C CA  1 
ATOM   1912 C C   . GLY C 1 69 ? 0.44743   -12.25614 8.88543   1.000 16.76252 ? 68  GLY C C   1 
ATOM   1913 O O   . GLY C 1 69 ? -0.50469  -11.48032 9.04344   1.000 17.60446 ? 68  GLY C O   1 
ATOM   1914 N N   . THR C 1 70 ? 1.50970   -12.24594 9.68441   1.000 15.46282 ? 69  THR C N   1 
ATOM   1915 C CA  . THR C 1 70 ? 1.63109   -11.31487 10.79665  1.000 18.06985 ? 69  THR C CA  1 
ATOM   1916 C C   . THR C 1 70 ? 2.50521   -10.11167 10.46949  1.000 18.54345 ? 69  THR C C   1 
ATOM   1917 O O   . THR C 1 70 ? 2.80771   -9.31431  11.36480  1.000 20.19707 ? 69  THR C O   1 
ATOM   1918 C CB  . THR C 1 70 ? 2.15073   -12.03383 12.04284  1.000 20.01942 ? 69  THR C CB  1 
ATOM   1919 O OG1 . THR C 1 70 ? 3.46981   -12.53330 11.79200  1.000 21.95192 ? 69  THR C OG1 1 
ATOM   1920 C CG2 . THR C 1 70 ? 1.22860   -13.18696 12.41393  1.000 23.51511 ? 69  THR C CG2 1 
ATOM   1921 N N   . THR C 1 71 ? 2.90541   -9.95093  9.21163   1.000 16.26402 ? 70  THR C N   1 
ATOM   1922 C CA  . THR C 1 71 ? 3.78927   -8.86677  8.80932   1.000 16.84881 ? 70  THR C CA  1 
ATOM   1923 C C   . THR C 1 71 ? 2.98656   -7.77552  8.11118   1.000 15.57673 ? 70  THR C C   1 
ATOM   1924 O O   . THR C 1 71 ? 2.38069   -8.01629  7.05928   1.000 15.67571 ? 70  THR C O   1 
ATOM   1925 C CB  . THR C 1 71 ? 4.89679   -9.38197  7.89578   1.000 20.00554 ? 70  THR C CB  1 
ATOM   1926 O OG1 . THR C 1 71 ? 5.70202   -10.31876 8.62140   1.000 22.04292 ? 70  THR C OG1 1 
ATOM   1927 C CG2 . THR C 1 71 ? 5.76529   -8.23270  7.42018   1.000 23.70537 ? 70  THR C CG2 1 
ATOM   1928 N N   . THR C 1 72 ? 3.01360   -6.57542  8.68106   1.000 13.89223 ? 71  THR C N   1 
ATOM   1929 C CA  . THR C 1 72 ? 2.34067   -5.41526  8.11737   1.000 13.85661 ? 71  THR C CA  1 
ATOM   1930 C C   . THR C 1 72 ? 3.38856   -4.46972  7.55871   1.000 14.45488 ? 71  THR C C   1 
ATOM   1931 O O   . THR C 1 72 ? 4.31412   -4.07537  8.27316   1.000 16.36093 ? 71  THR C O   1 
ATOM   1932 C CB  . THR C 1 72 ? 1.52765   -4.69288  9.19046   1.000 14.52792 ? 71  THR C CB  1 
ATOM   1933 O OG1 . THR C 1 72 ? 0.53615   -5.57886  9.71944   1.000 15.61135 ? 71  THR C OG1 1 
ATOM   1934 C CG2 . THR C 1 72 ? 0.85598   -3.45536  8.60756   1.000 14.10263 ? 71  THR C CG2 1 
ATOM   1935 N N   . THR C 1 73 ? 3.25292   -4.12818  6.28302   1.000 13.06808 ? 72  THR C N   1 
ATOM   1936 C CA  . THR C 1 73 ? 4.12058   -3.17463  5.61267   1.000 13.27214 ? 72  THR C CA  1 
ATOM   1937 C C   . THR C 1 73 ? 3.33852   -1.89239  5.37591   1.000 11.04625 ? 72  THR C C   1 
ATOM   1938 O O   . THR C 1 73 ? 2.23109   -1.92772  4.83034   1.000 12.21450 ? 72  THR C O   1 
ATOM   1939 C CB  . THR C 1 73 ? 4.58956   -3.73284  4.27042   1.000 14.72371 ? 72  THR C CB  1 
ATOM   1940 O OG1 . THR C 1 73 ? 5.24490   -4.98798  4.48569   1.000 16.14309 ? 72  THR C OG1 1 
ATOM   1941 C CG2 . THR C 1 73 ? 5.54153   -2.76409  3.56868   1.000 14.94159 ? 72  THR C CG2 1 
ATOM   1942 N N   . GLU C 1 74 ? 3.89749   -0.77347  5.80287   1.000 11.53766 ? 73  GLU C N   1 
ATOM   1943 C CA  . GLU C 1 74 ? 3.30922   0.53492   5.56045   1.000 11.39199 ? 73  GLU C CA  1 
ATOM   1944 C C   . GLU C 1 74 ? 3.83128   1.09946   4.24573   1.000 10.93161 ? 73  GLU C C   1 
ATOM   1945 O O   . GLU C 1 74 ? 5.04165   1.09412   3.99392   1.000 12.72848 ? 73  GLU C O   1 
ATOM   1946 C CB  . GLU C 1 74 ? 3.65315   1.47863   6.70959   1.000 11.45250 ? 73  GLU C CB  1 
ATOM   1947 C CG  . GLU C 1 74 ? 3.19891   2.90015   6.51774   1.000 11.17041 ? 73  GLU C CG  1 
ATOM   1948 C CD  . GLU C 1 74 ? 3.76491   3.81757   7.57748   1.000 10.99380 ? 73  GLU C CD  1 
ATOM   1949 O OE1 . GLU C 1 74 ? 4.99419   3.74613   7.80461   1.000 10.87466 ? 73  GLU C OE1 1 
ATOM   1950 O OE2 . GLU C 1 74 ? 3.01308   4.60361   8.18824   1.000 11.07655 ? 73  GLU C OE2 1 
ATOM   1951 N N   . TRP C 1 75 ? 2.91749   1.58239   3.41605   1.000 10.99278 ? 74  TRP C N   1 
ATOM   1952 C CA  . TRP C 1 75 ? 3.23781   2.24052   2.16030   1.000 10.83545 ? 74  TRP C CA  1 
ATOM   1953 C C   . TRP C 1 75 ? 2.79251   3.69178   2.23454   1.000 11.74510 ? 74  TRP C C   1 
ATOM   1954 O O   . TRP C 1 75 ? 1.68960   3.98727   2.71118   1.000 10.89565 ? 74  TRP C O   1 
ATOM   1955 C CB  . TRP C 1 75 ? 2.56101   1.52514   0.99945   1.000 13.40630 ? 74  TRP C CB  1 
ATOM   1956 C CG  . TRP C 1 75 ? 3.11942   0.14740   0.79028   1.000 12.28313 ? 74  TRP C CG  1 
ATOM   1957 C CD1 . TRP C 1 75 ? 2.59851   -1.02407  1.23611   1.000 12.55252 ? 74  TRP C CD1 1 
ATOM   1958 C CD2 . TRP C 1 75 ? 4.33898   -0.18656  0.11883   1.000 12.82019 ? 74  TRP C CD2 1 
ATOM   1959 N NE1 . TRP C 1 75 ? 3.39663   -2.07569  0.86298   1.000 14.88746 ? 74  TRP C NE1 1 
ATOM   1960 C CE2 . TRP C 1 75 ? 4.47413   -1.58603  0.17612   1.000 13.85370 ? 74  TRP C CE2 1 
ATOM   1961 C CE3 . TRP C 1 75 ? 5.31274   0.55973   -0.54652  1.000 15.27271 ? 74  TRP C CE3 1 
ATOM   1962 C CZ2 . TRP C 1 75 ? 5.55285   -2.25669  -0.39625  1.000 16.25419 ? 74  TRP C CZ2 1 
ATOM   1963 C CZ3 . TRP C 1 75 ? 6.39063   -0.10874  -1.11619  1.000 15.62427 ? 74  TRP C CZ3 1 
ATOM   1964 C CH2 . TRP C 1 75 ? 6.49383   -1.50293  -1.04233  1.000 18.94005 ? 74  TRP C CH2 1 
ATOM   1965 N N   . CYS C 1 76 ? 3.62820   4.59070   1.72665   1.000 10.69873 ? 75  CYS C N   1 
ATOM   1966 C CA  . CYS C 1 76 ? 3.48309   6.01742   1.95614   1.000 10.72028 ? 75  CYS C CA  1 
ATOM   1967 C C   . CYS C 1 76 ? 3.38507   6.76617   0.64154   1.000 11.84709 ? 75  CYS C C   1 
ATOM   1968 O O   . CYS C 1 76 ? 4.26265   6.63993   -0.22107  1.000 12.56093 ? 75  CYS C O   1 
ATOM   1969 C CB  . CYS C 1 76 ? 4.68712   6.57138   2.72037   1.000 12.64309 ? 75  CYS C CB  1 
ATOM   1970 S SG  . CYS C 1 76 ? 5.09031   5.71113   4.21481   1.000 12.67106 ? 75  CYS C SG  1 
ATOM   1971 N N   . TRP C 1 77 ? 2.33952   7.56742   0.50669   1.000 11.67269 ? 76  TRP C N   1 
ATOM   1972 C CA  . TRP C 1 77 ? 2.23574   8.52636   -0.57733  1.000 12.30131 ? 76  TRP C CA  1 
ATOM   1973 C C   . TRP C 1 77 ? 2.46356   9.91007   0.00021   1.000 13.31037 ? 76  TRP C C   1 
ATOM   1974 O O   . TRP C 1 77 ? 1.70072   10.36720  0.85800   1.000 13.85664 ? 76  TRP C O   1 
ATOM   1975 C CB  . TRP C 1 77 ? 0.86611   8.47549   -1.24836  1.000 12.38579 ? 76  TRP C CB  1 
ATOM   1976 C CG  . TRP C 1 77 ? 0.75292   9.52499   -2.29613  1.000 13.17203 ? 76  TRP C CG  1 
ATOM   1977 C CD1 . TRP C 1 77 ? 0.31855   10.80851  -2.13386  1.000 14.74319 ? 76  TRP C CD1 1 
ATOM   1978 C CD2 . TRP C 1 77 ? 1.14179   9.40091   -3.66418  1.000 13.39036 ? 76  TRP C CD2 1 
ATOM   1979 N NE1 . TRP C 1 77 ? 0.38880   11.48661  -3.32820  1.000 15.81091 ? 76  TRP C NE1 1 
ATOM   1980 C CE2 . TRP C 1 77 ? 0.88432   10.64092  -4.28615  1.000 14.06055 ? 76  TRP C CE2 1 
ATOM   1981 C CE3 . TRP C 1 77 ? 1.64886   8.34868   -4.43238  1.000 13.35950 ? 76  TRP C CE3 1 
ATOM   1982 C CZ2 . TRP C 1 77 ? 1.13334   10.86343  -5.64204  1.000 15.61233 ? 76  TRP C CZ2 1 
ATOM   1983 C CZ3 . TRP C 1 77 ? 1.90098   8.56913   -5.77518  1.000 14.90348 ? 76  TRP C CZ3 1 
ATOM   1984 C CH2 . TRP C 1 77 ? 1.63825   9.81719   -6.36855  1.000 15.53112 ? 76  TRP C CH2 1 
ATOM   1985 N N   . ASP C 1 78 ? 3.50812   10.57648  -0.48493  1.000 15.59760 ? 77  ASP C N   1 
ATOM   1986 C CA  . ASP C 1 78 ? 3.82081   11.94401  -0.10396  1.000 19.74763 ? 77  ASP C CA  1 
ATOM   1987 C C   . ASP C 1 78 ? 4.11455   12.78576  -1.33905  1.000 22.60096 ? 77  ASP C C   1 
ATOM   1988 O O   . ASP C 1 78 ? 4.86126   13.76552  -1.27121  1.000 27.96982 ? 77  ASP C O   1 
ATOM   1989 C CB  . ASP C 1 78 ? 4.97224   11.97686  0.90089   1.000 20.83732 ? 77  ASP C CB  1 
ATOM   1990 C CG  . ASP C 1 78 ? 4.68491   11.12823  2.13150   1.000 17.09843 ? 77  ASP C CG  1 
ATOM   1991 O OD1 . ASP C 1 78 ? 3.84664   11.54025  2.96208   1.000 17.67075 ? 77  ASP C OD1 1 
ATOM   1992 O OD2 . ASP C 1 78 ? 5.27266   10.03309  2.24586   1.000 24.51403 ? 77  ASP C OD2 1 
ATOM   1993 N N   . GLY C 1 79 ? 3.54558   12.39612  -2.47861  1.000 18.68759 ? 78  GLY C N   1 
ATOM   1994 C CA  . GLY C 1 79 ? 3.63047   13.15991  -3.70782  1.000 27.73161 ? 78  GLY C CA  1 
ATOM   1995 C C   . GLY C 1 79 ? 4.57237   12.60400  -4.75110  1.000 24.07833 ? 78  GLY C C   1 
ATOM   1996 O O   . GLY C 1 79 ? 4.49929   13.03328  -5.91065  1.000 37.17297 ? 78  GLY C O   1 
ATOM   1997 N N   . ASN C 1 80 ? 5.44549   11.66561  -4.39623  1.000 28.90822 ? 79  ASN C N   1 
ATOM   1998 C CA  . ASN C 1 80 ? 6.51690   11.21250  -5.27996  1.000 28.81540 ? 79  ASN C CA  1 
ATOM   1999 C C   . ASN C 1 80 ? 6.50189   9.70028   -5.42689  1.000 31.98234 ? 79  ASN C C   1 
ATOM   2000 O O   . ASN C 1 80 ? 7.54750   9.04494   -5.39954  1.000 34.49754 ? 79  ASN C O   1 
ATOM   2001 C CB  . ASN C 1 80 ? 7.87884   11.67957  -4.77326  1.000 36.70217 ? 79  ASN C CB  1 
ATOM   2002 C CG  . ASN C 1 80 ? 7.92476   13.16804  -4.50707  1.000 43.55110 ? 79  ASN C CG  1 
ATOM   2003 O OD1 . ASN C 1 80 ? 8.06050   13.59792  -3.36155  1.000 50.44304 ? 79  ASN C OD1 1 
ATOM   2004 N ND2 . ASN C 1 80 ? 7.81720   13.96486  -5.56377  1.000 48.34670 ? 79  ASN C ND2 1 
ATOM   2005 N N   . GLY C 1 81 ? 5.32051   9.11924   -5.59796  1.000 21.85780 ? 80  GLY C N   1 
ATOM   2006 C CA  . GLY C 1 81 ? 5.20911   7.68149   -5.65971  1.000 22.19375 ? 80  GLY C CA  1 
ATOM   2007 C C   . GLY C 1 81 ? 5.14885   7.06230   -4.27724  1.000 15.64030 ? 80  GLY C C   1 
ATOM   2008 O O   . GLY C 1 81 ? 5.33079   7.71370   -3.24666  1.000 21.91270 ? 80  GLY C O   1 
ATOM   2009 N N   . TRP C 1 82 ? 4.92191   5.75682   -4.27405  1.000 15.68687 ? 81  TRP C N   1 
ATOM   2010 C CA  . TRP C 1 82 ? 4.70629   4.99849   -3.05102  1.000 15.30906 ? 81  TRP C CA  1 
ATOM   2011 C C   . TRP C 1 82 ? 6.03316   4.46627   -2.52404  1.000 15.35400 ? 81  TRP C C   1 
ATOM   2012 O O   . TRP C 1 82 ? 6.74457   3.73909   -3.23026  1.000 18.90211 ? 81  TRP C O   1 
ATOM   2013 C CB  . TRP C 1 82 ? 3.75247   3.84519   -3.33297  1.000 15.57311 ? 81  TRP C CB  1 
ATOM   2014 C CG  . TRP C 1 82 ? 2.34955   4.29791   -3.58051  1.000 11.82016 ? 81  TRP C CG  1 
ATOM   2015 C CD1 . TRP C 1 82 ? 1.75980   4.54141   -4.79026  1.000 12.49392 ? 81  TRP C CD1 1 
ATOM   2016 C CD2 . TRP C 1 82 ? 1.36326   4.58740   -2.58449  1.000 11.57864 ? 81  TRP C CD2 1 
ATOM   2017 N NE1 . TRP C 1 82 ? 0.46271   4.94992   -4.60355  1.000 11.84299 ? 81  TRP C NE1 1 
ATOM   2018 C CE2 . TRP C 1 82 ? 0.19092   4.97828   -3.26096  1.000 11.55073 ? 81  TRP C CE2 1 
ATOM   2019 C CE3 . TRP C 1 82 ? 1.35209   4.53377   -1.18231  1.000 12.42301 ? 81  TRP C CE3 1 
ATOM   2020 C CZ2 . TRP C 1 82 ? -0.97903  5.32657   -2.58835  1.000 11.24034 ? 81  TRP C CZ2 1 
ATOM   2021 C CZ3 . TRP C 1 82 ? 0.18754   4.87430   -0.51623  1.000 13.18109 ? 81  TRP C CZ3 1 
ATOM   2022 C CH2 . TRP C 1 82 ? -0.96508  5.26138   -1.22051  1.000 11.56198 ? 81  TRP C CH2 1 
ATOM   2023 N N   . THR C 1 83 ? 6.34392   4.80424   -1.27251  1.000 14.55485 ? 82  THR C N   1 
ATOM   2024 C CA  . THR C 1 83 ? 7.57484   4.39045   -0.60558  1.000 14.59157 ? 82  THR C CA  1 
ATOM   2025 C C   . THR C 1 83 ? 7.24731   3.60463   0.65838   1.000 14.30318 ? 82  THR C C   1 
ATOM   2026 O O   . THR C 1 83 ? 6.21213   3.82441   1.29056   1.000 13.99983 ? 82  THR C O   1 
ATOM   2027 C CB  . THR C 1 83 ? 8.45039   5.60688   -0.22776  1.000 16.87251 ? 82  THR C CB  1 
ATOM   2028 O OG1 . THR C 1 83 ? 7.77761   6.40625   0.75410   1.000 20.32920 ? 82  THR C OG1 1 
ATOM   2029 C CG2 . THR C 1 83 ? 8.73746   6.46248   -1.45005  1.000 19.45004 ? 82  THR C CG2 1 
ATOM   2030 N N   . LYS C 1 84 ? 8.13220   2.68391   1.03244   1.000 13.19154 ? 83  LYS C N   1 
ATOM   2031 C CA  . LYS C 1 84 ? 7.93415   1.93100   2.26351   1.000 14.03035 ? 83  LYS C CA  1 
ATOM   2032 C C   . LYS C 1 84 ? 8.16910   2.82087   3.47399   1.000 13.21209 ? 83  LYS C C   1 
ATOM   2033 O O   . LYS C 1 84 ? 9.14367   3.57793   3.52418   1.000 15.17080 ? 83  LYS C O   1 
ATOM   2034 C CB  . LYS C 1 84 ? 8.88573   0.73717   2.31886   1.000 19.49086 ? 83  LYS C CB  1 
ATOM   2035 C CG  . LYS C 1 84 ? 8.40263   -0.47146  1.56199   1.000 20.52253 ? 83  LYS C CG  1 
ATOM   2036 C CD  . LYS C 1 84 ? 9.00700   -1.75791  2.10408   1.000 20.05488 ? 83  LYS C CD  1 
ATOM   2037 C CE  . LYS C 1 84 ? 10.52447  -1.75093  2.01990   1.000 29.59064 ? 83  LYS C CE  1 
ATOM   2038 N NZ  . LYS C 1 84 ? 11.06206  -3.10886  2.29435   1.000 30.82413 ? 83  LYS C NZ  1 
ATOM   2039 N N   . GLY C 1 85 ? 7.27581   2.72371   4.45508   1.000 13.64850 ? 84  GLY C N   1 
ATOM   2040 C CA  . GLY C 1 85 ? 7.40596   3.48393   5.67621   1.000 13.30641 ? 84  GLY C CA  1 
ATOM   2041 C C   . GLY C 1 85 ? 8.10542   2.70379   6.77746   1.000 9.72102  ? 84  GLY C C   1 
ATOM   2042 O O   . GLY C 1 85 ? 8.38723   1.51635   6.65906   1.000 12.28640 ? 84  GLY C O   1 
ATOM   2043 N N   . ALA C 1 86 ? 8.31167   3.39061   7.89324   1.000 11.68567 ? 85  ALA C N   1 
ATOM   2044 C CA  . ALA C 1 86 ? 9.03055   2.82081   9.02167   1.000 11.90500 ? 85  ALA C CA  1 
ATOM   2045 C C   . ALA C 1 86 ? 8.18929   1.88763   9.88522   1.000 11.04731 ? 85  ALA C C   1 
ATOM   2046 O O   . ALA C 1 86 ? 8.75777   1.23936   10.76875  1.000 12.73572 ? 85  ALA C O   1 
ATOM   2047 C CB  . ALA C 1 86 ? 9.60958   3.93846   9.88527   1.000 13.88035 ? 85  ALA C CB  1 
ATOM   2048 N N   . TYR C 1 87 ? 6.86982   1.80293   9.67550   1.000 10.99224 ? 86  TYR C N   1 
ATOM   2049 C CA  . TYR C 1 87 ? 6.01518   1.02251   10.56812  1.000 9.22899  ? 86  TYR C CA  1 
ATOM   2050 C C   . TYR C 1 87 ? 6.53506   -0.39470  10.74669  1.000 12.32544 ? 86  TYR C C   1 
ATOM   2051 O O   . TYR C 1 87 ? 6.87442   -1.07646  9.77560   1.000 12.03161 ? 86  TYR C O   1 
ATOM   2052 C CB  . TYR C 1 87 ? 4.60440   0.94167   9.98193   1.000 9.57144  ? 86  TYR C CB  1 
ATOM   2053 C CG  . TYR C 1 87 ? 3.65763   0.10579   10.82625  1.000 10.47681 ? 86  TYR C CG  1 
ATOM   2054 C CD1 . TYR C 1 87 ? 3.54704   -1.26393  10.63427  1.000 11.44456 ? 86  TYR C CD1 1 
ATOM   2055 C CD2 . TYR C 1 87 ? 2.89011   0.68937   11.82777  1.000 10.44256 ? 86  TYR C CD2 1 
ATOM   2056 C CE1 . TYR C 1 87 ? 2.70228   -2.03112  11.41114  1.000 11.11296 ? 86  TYR C CE1 1 
ATOM   2057 C CE2 . TYR C 1 87 ? 2.04591   -0.07022  12.62292  1.000 10.24761 ? 86  TYR C CE2 1 
ATOM   2058 C CZ  . TYR C 1 87 ? 1.95298   -1.42596  12.41309  1.000 10.01564 ? 86  TYR C CZ  1 
ATOM   2059 O OH  . TYR C 1 87 ? 1.10367   -2.18620  13.19318  1.000 12.83925 ? 86  TYR C OH  1 
ATOM   2060 N N   . THR C 1 88 ? 6.56680   -0.84344  11.99553  1.000 10.93851 ? 87  THR C N   1 
ATOM   2061 C CA  . THR C 1 88 ? 6.68673   -2.25281  12.32676  1.000 11.32083 ? 87  THR C CA  1 
ATOM   2062 C C   . THR C 1 88 ? 5.70057   -2.56617  13.44238  1.000 14.09251 ? 87  THR C C   1 
ATOM   2063 O O   . THR C 1 88 ? 5.25200   -1.67506  14.16460  1.000 12.22027 ? 87  THR C O   1 
ATOM   2064 C CB  . THR C 1 88 ? 8.08841   -2.61012  12.84332  1.000 13.94424 ? 87  THR C CB  1 
ATOM   2065 O OG1 . THR C 1 88 ? 8.37427   -1.81256  13.99856  1.000 13.97414 ? 87  THR C OG1 1 
ATOM   2066 C CG2 . THR C 1 88 ? 9.15248   -2.36821  11.77524  1.000 14.73767 ? 87  THR C CG2 1 
ATOM   2067 N N   . ALA C 1 89 ? 5.38963   -3.85226  13.59038  1.000 17.02735 ? 88  ALA C N   1 
ATOM   2068 C CA  . ALA C 1 89 ? 4.64537   -4.34302  14.74113  1.000 24.83773 ? 88  ALA C CA  1 
ATOM   2069 C C   . ALA C 1 89 ? 5.10473   -5.75817  15.06320  1.000 37.13913 ? 88  ALA C C   1 
ATOM   2070 O O   . ALA C 1 89 ? 5.41991   -6.53482  14.15730  1.000 38.57634 ? 88  ALA C O   1 
ATOM   2071 C CB  . ALA C 1 89 ? 3.14083   -4.34095  14.46748  1.000 28.95294 ? 88  ALA C CB  1 
ATOM   2072 N N   . THR C 1 90 ? 5.13568   -6.08948  16.35680  0.000 32.74002 ? 89  THR C N   1 
ATOM   2073 C CA  . THR C 1 90 ? 5.50763   -7.43363  16.80507  0.000 33.86678 ? 89  THR C CA  1 
ATOM   2074 C C   . THR C 1 90 ? 4.24257   -8.28341  16.89976  0.000 33.21739 ? 89  THR C C   1 
ATOM   2075 O O   . THR C 1 90 ? 3.61727   -8.42494  17.95331  0.000 34.26528 ? 89  THR C O   1 
ATOM   2076 C CB  . THR C 1 90 ? 6.26259   -7.37747  18.12895  0.000 35.98079 ? 89  THR C CB  1 
ATOM   2077 O OG1 . THR C 1 90 ? 7.43096   -6.56127  17.98241  0.000 36.19707 ? 89  THR C OG1 1 
ATOM   2078 C CG2 . THR C 1 90 ? 6.68866   -8.77842  18.56411  0.000 37.78463 ? 89  THR C CG2 1 
ATOM   2079 N N   . ASN C 1 91 ? 3.86197   -8.85625  15.76298  0.000 31.65747 ? 90  ASN C N   1 
ATOM   2080 C CA  . ASN C 1 91 ? 2.69582   -9.72787  15.70169  0.000 29.21840 ? 90  ASN C CA  1 
ATOM   2081 C C   . ASN C 1 91 ? 3.12448   -11.19108 15.73918  0.000 28.31832 ? 90  ASN C C   1 
ATOM   2082 O O   . ASN C 1 91 ? 2.28994   -12.09212 15.82007  0.000 27.78770 ? 90  ASN C O   1 
ATOM   2083 C CB  . ASN C 1 91 ? 1.88176   -9.45247  14.43631  0.000 26.33238 ? 90  ASN C CB  1 
ATOM   2084 C CG  . ASN C 1 91 ? 1.38827   -8.02229  14.35665  0.000 25.28120 ? 90  ASN C CG  1 
ATOM   2085 O OD1 . ASN C 1 91 ? 1.12663   -7.38539  15.37643  0.000 24.98132 ? 90  ASN C OD1 1 
ATOM   2086 N ND2 . ASN C 1 91 ? 1.25523   -7.50998  13.13819  0.000 22.80633 ? 90  ASN C ND2 1 
HETATM 2087 O O3  . T3Y D 2 .  ? -2.44443  -19.08987 9.96600   1.000 41.30464 ? 101 T3Y A O3  1 
HETATM 2088 S S1  . T3Y D 2 .  ? -1.63733  -19.11738 11.20790  1.000 39.38756 ? 101 T3Y A S1  1 
HETATM 2089 O O1  . T3Y D 2 .  ? -2.46956  -19.36861 12.35628  1.000 42.33973 ? 101 T3Y A O1  1 
HETATM 2090 O O2  . T3Y D 2 .  ? -0.82340  -17.93317 11.30322  1.000 46.47815 ? 101 T3Y A O2  1 
HETATM 2091 C C1  . T3Y D 2 .  ? -0.53142  -20.49547 11.05768  1.000 35.98401 ? 101 T3Y A C1  1 
HETATM 2092 C C24 . T3Y D 2 .  ? -0.83039  -21.52036 10.17599  1.000 34.00797 ? 101 T3Y A C24 1 
HETATM 2093 C C23 . T3Y D 2 .  ? 0.01793   -22.61144 10.04236  1.000 26.41253 ? 101 T3Y A C23 1 
HETATM 2094 C C22 . T3Y D 2 .  ? -0.31579  -23.72834 9.06796   1.000 23.74797 ? 101 T3Y A C22 1 
HETATM 2095 C C2  . T3Y D 2 .  ? 0.62979   -20.53339 11.81095  1.000 32.71282 ? 101 T3Y A C2  1 
HETATM 2096 C C3  . T3Y D 2 .  ? 1.50741   -21.60406 11.70420  1.000 34.84969 ? 101 T3Y A C3  1 
HETATM 2097 C C25 . T3Y D 2 .  ? 1.19027   -22.63822 10.81183  1.000 35.54764 ? 101 T3Y A C25 1 
HETATM 2098 O O13 . T3Y D 2 .  ? 2.04566   -23.69448 10.69645  1.000 27.60032 ? 101 T3Y A O13 1 
HETATM 2099 C C4  . T3Y D 2 .  ? 2.77502   -21.64622 12.53895  1.000 31.34318 ? 101 T3Y A C4  1 
HETATM 2100 C C5  . T3Y D 2 .  ? 3.98363   -21.03649 11.85137  1.000 33.14651 ? 101 T3Y A C5  1 
HETATM 2101 C C6  . T3Y D 2 .  ? 4.32571   -19.71155 12.08284  1.000 35.13218 ? 101 T3Y A C6  1 
HETATM 2102 C C7  . T3Y D 2 .  ? 5.42442   -19.14655 11.45883  1.000 39.83667 ? 101 T3Y A C7  1 
HETATM 2103 S S2  . T3Y D 2 .  ? 5.84032   -17.45344 11.77960  1.000 58.26732 ? 101 T3Y A S2  1 
HETATM 2104 O O4  . T3Y D 2 .  ? 6.28217   -16.88495 10.53284  1.000 42.88713 ? 101 T3Y A O4  1 
HETATM 2105 O O5  . T3Y D 2 .  ? 4.59652   -16.79419 12.24644  1.000 51.47350 ? 101 T3Y A O5  1 
HETATM 2106 O O6  . T3Y D 2 .  ? 6.83036   -17.45912 12.82557  1.000 54.42194 ? 101 T3Y A O6  1 
HETATM 2107 C C8  . T3Y D 2 .  ? 6.20287   -19.89577 10.59275  1.000 36.11021 ? 101 T3Y A C8  1 
HETATM 2108 C C28 . T3Y D 2 .  ? 4.77975   -21.78561 10.97286  1.000 35.59954 ? 101 T3Y A C28 1 
HETATM 2109 O O16 . T3Y D 2 .  ? 4.45474   -23.08898 10.73256  1.000 27.59764 ? 101 T3Y A O16 1 
HETATM 2110 C C9  . T3Y D 2 .  ? 5.90064   -21.22755 10.34037  1.000 33.03719 ? 101 T3Y A C9  1 
HETATM 2111 C C10 . T3Y D 2 .  ? 6.75199   -22.03975 9.37925   1.000 29.54897 ? 101 T3Y A C10 1 
HETATM 2112 C C11 . T3Y D 2 .  ? 6.12415   -22.04891 7.99700   1.000 23.30346 ? 101 T3Y A C11 1 
HETATM 2113 C C12 . T3Y D 2 .  ? 6.40022   -21.02953 7.09678   1.000 30.11408 ? 101 T3Y A C12 1 
HETATM 2114 C C13 . T3Y D 2 .  ? 5.81951   -21.02191 5.84047   1.000 29.39619 ? 101 T3Y A C13 1 
HETATM 2115 S S3  . T3Y D 2 .  ? 6.19697   -19.71119 4.70986   1.000 35.69479 ? 101 T3Y A S3  1 
HETATM 2116 O O7  . T3Y D 2 .  ? 6.17045   -20.28088 3.38761   1.000 38.91068 ? 101 T3Y A O7  1 
HETATM 2117 O O8  . T3Y D 2 .  ? 7.56323   -19.24214 5.04964   1.000 37.53466 ? 101 T3Y A O8  1 
HETATM 2118 O O9  . T3Y D 2 .  ? 5.22644   -18.67224 4.93640   1.000 42.76364 ? 101 T3Y A O9  1 
HETATM 2119 C C14 . T3Y D 2 .  ? 4.94647   -22.02732 5.46141   1.000 26.15477 ? 101 T3Y A C14 1 
HETATM 2120 C C27 . T3Y D 2 .  ? 5.23270   -23.05801 7.60549   1.000 27.94604 ? 101 T3Y A C27 1 
HETATM 2121 O O15 . T3Y D 2 .  ? 4.94565   -24.06525 8.47843   1.000 22.28225 ? 101 T3Y A O15 1 
HETATM 2122 C C15 . T3Y D 2 .  ? 4.64048   -23.06295 6.33405   1.000 28.04022 ? 101 T3Y A C15 1 
HETATM 2123 C C16 . T3Y D 2 .  ? 3.67117   -24.15455 5.91705   1.000 23.82109 ? 101 T3Y A C16 1 
HETATM 2124 C C17 . T3Y D 2 .  ? 2.25276   -23.69534 6.20620   1.000 21.35559 ? 101 T3Y A C17 1 
HETATM 2125 C C18 . T3Y D 2 .  ? 1.53534   -23.00611 5.23951   1.000 26.83023 ? 101 T3Y A C18 1 
HETATM 2126 C C26 . T3Y D 2 .  ? 1.64255   -23.92296 7.44825   1.000 21.24870 ? 101 T3Y A C26 1 
HETATM 2127 O O14 . T3Y D 2 .  ? 2.32599   -24.59123 8.41993   1.000 23.32537 ? 101 T3Y A O14 1 
HETATM 2128 C C21 . T3Y D 2 .  ? 0.33764   -23.48362 7.71832   1.000 32.04307 ? 101 T3Y A C21 1 
HETATM 2129 C C20 . T3Y D 2 .  ? -0.34713  -22.80321 6.72040   1.000 32.05927 ? 101 T3Y A C20 1 
HETATM 2130 C C19 . T3Y D 2 .  ? 0.24703   -22.57027 5.49192   1.000 24.50155 ? 101 T3Y A C19 1 
HETATM 2131 S S4  . T3Y D 2 .  ? -0.64095  -21.70008 4.23171   1.000 38.71572 ? 101 T3Y A S4  1 
HETATM 2132 O O11 . T3Y D 2 .  ? -0.82447  -22.62260 3.14100   1.000 36.01042 ? 101 T3Y A O11 1 
HETATM 2133 O O10 . T3Y D 2 .  ? -1.94611  -21.31652 4.82298   1.000 40.93504 ? 101 T3Y A O10 1 
HETATM 2134 O O12 . T3Y D 2 .  ? 0.13961   -20.53618 3.89977   1.000 27.45964 ? 101 T3Y A O12 1 
HETATM 2135 C C1  . BDF E 3 .  ? -18.22908 8.25105   25.43886  1.000 14.48770 ? 102 BDF A C1  1 
HETATM 2136 C C2  . BDF E 3 .  ? -19.39329 8.21550   24.46192  1.000 12.01440 ? 102 BDF A C2  1 
HETATM 2137 C C3  . BDF E 3 .  ? -19.77284 6.76991   24.11273  1.000 10.08226 ? 102 BDF A C3  1 
HETATM 2138 C C4  . BDF E 3 .  ? -20.79633 6.74748   22.97762  1.000 10.45008 ? 102 BDF A C4  1 
HETATM 2139 C C5  . BDF E 3 .  ? -20.25482 7.51983   21.78311  1.000 11.06597 ? 102 BDF A C5  1 
HETATM 2140 C C6  . BDF E 3 .  ? -19.90315 8.92395   22.22715  1.000 12.25426 ? 102 BDF A C6  1 
HETATM 2141 O O1  . BDF E 3 .  ? -17.96674 9.57074   25.88941  1.000 18.86019 ? 102 BDF A O1  1 
HETATM 2142 O O2  . BDF E 3 .  ? -20.52681 8.85475   24.98071  1.000 13.78897 ? 102 BDF A O2  1 
HETATM 2143 O O3  . BDF E 3 .  ? -20.27858 6.09885   25.26583  1.000 10.89461 ? 102 BDF A O3  1 
HETATM 2144 O O4  . BDF E 3 .  ? -21.09855 5.40541   22.63791  1.000 10.06536 ? 102 BDF A O4  1 
HETATM 2145 O O5  . BDF E 3 .  ? -19.05479 6.93597   21.26339  1.000 10.57052 ? 102 BDF A O5  1 
HETATM 2146 O O6  . BDF E 3 .  ? -18.94407 8.89587   23.29410  1.000 11.68864 ? 102 BDF A O6  1 
HETATM 2147 C C1  . BDF F 3 .  ? 0.17353   7.31573   23.17408  1.000 15.53767 ? 103 BDF A C1  1 
HETATM 2148 C C2  . BDF F 3 .  ? -1.29166  7.22448   23.57168  1.000 12.36525 ? 103 BDF A C2  1 
HETATM 2149 C C3  . BDF F 3 .  ? -1.73564  5.75525   23.59527  1.000 12.34255 ? 103 BDF A C3  1 
HETATM 2150 C C4  . BDF F 3 .  ? -3.25091  5.65248   23.75308  1.000 11.58334 ? 103 BDF A C4  1 
HETATM 2151 C C5  . BDF F 3 .  ? -3.94230  6.48155   22.68109  1.000 10.97993 ? 103 BDF A C5  1 
HETATM 2152 C C6  . BDF F 3 .  ? -3.43399  7.90559   22.75052  1.000 12.75378 ? 103 BDF A C6  1 
HETATM 2153 O O1  . BDF F 3 .  ? 0.68860   8.63272   23.30190  1.000 28.50159 ? 103 BDF A O1  1 
HETATM 2154 O O2  . BDF F 3 .  ? -1.52641  7.79494   24.83193  1.000 13.46627 ? 103 BDF A O2  1 
HETATM 2155 O O3  . BDF F 3 .  ? -1.07935  5.05916   24.64926  1.000 12.78300 ? 103 BDF A O3  1 
HETATM 2156 O O4  . BDF F 3 .  ? -3.62887  4.28402   23.68780  1.000 11.68718 ? 103 BDF A O4  1 
HETATM 2157 O O5  . BDF F 3 .  ? -3.63669  5.99646   21.37403  1.000 12.23520 ? 103 BDF A O5  1 
HETATM 2158 O O6  . BDF F 3 .  ? -2.01231  7.92835   22.56773  1.000 12.38294 ? 103 BDF A O6  1 
HETATM 2159 O O3  . T3Y G 2 .  ? -24.70552 -19.11463 15.56760  1.000 26.35412 ? 101 T3Y B O3  1 
HETATM 2160 S S1  . T3Y G 2 .  ? -25.85834 -19.90916 15.09474  1.000 22.38262 ? 101 T3Y B S1  1 
HETATM 2161 O O1  . T3Y G 2 .  ? -26.25289 -19.50178 13.77110  1.000 29.14012 ? 101 T3Y B O1  1 
HETATM 2162 O O2  . T3Y G 2 .  ? -26.91944 -19.89004 16.06535  1.000 26.93633 ? 101 T3Y B O2  1 
HETATM 2163 C C1  . T3Y G 2 .  ? -25.29769 -21.58798 14.98176  1.000 17.06496 ? 101 T3Y B C1  1 
HETATM 2164 C C24 . T3Y G 2 .  ? -25.39517 -22.26511 13.77734  1.000 15.68870 ? 101 T3Y B C24 1 
HETATM 2165 C C23 . T3Y G 2 .  ? -24.95915 -23.57827 13.66635  1.000 15.13815 ? 101 T3Y B C23 1 
HETATM 2166 C C22 . T3Y G 2 .  ? -25.07423 -24.32354 12.34770  1.000 16.93758 ? 101 T3Y B C22 1 
HETATM 2167 C C2  . T3Y G 2 .  ? -24.73973 -22.20101 16.09291  1.000 15.12369 ? 101 T3Y B C2  1 
HETATM 2168 C C3  . T3Y G 2 .  ? -24.29877 -23.51611 16.02506  1.000 15.12393 ? 101 T3Y B C3  1 
HETATM 2169 C C25 . T3Y G 2 .  ? -24.40268 -24.18786 14.79876  1.000 16.74371 ? 101 T3Y B C25 1 
HETATM 2170 O O13 . T3Y G 2 .  ? -23.96331 -25.47171 14.69162  1.000 19.72260 ? 101 T3Y B O13 1 
HETATM 2171 C C4  . T3Y G 2 .  ? -23.68162 -24.18704 17.24050  1.000 14.97787 ? 101 T3Y B C4  1 
HETATM 2172 C C5  . T3Y G 2 .  ? -22.18055 -23.99538 17.13704  1.000 14.99764 ? 101 T3Y B C5  1 
HETATM 2173 C C6  . T3Y G 2 .  ? -21.60876 -22.81473 17.58038  1.000 15.14593 ? 101 T3Y B C6  1 
HETATM 2174 C C7  . T3Y G 2 .  ? -20.24273 -22.62020 17.47057  1.000 18.30195 ? 101 T3Y B C7  1 
HETATM 2175 S S2  . T3Y G 2 .  ? -19.51570 -21.11833 18.04364  1.000 17.88419 ? 101 T3Y B S2  1 
HETATM 2176 O O4  . T3Y G 2 .  ? -18.16542 -21.10494 17.54006  1.000 22.12940 ? 101 T3Y B O4  1 
HETATM 2177 O O5  . T3Y G 2 .  ? -20.26512 -20.00602 17.41752  1.000 19.53416 ? 101 T3Y B O5  1 
HETATM 2178 O O6  . T3Y G 2 .  ? -19.64356 -21.10147 19.47577  1.000 23.06558 ? 101 T3Y B O6  1 
HETATM 2179 C C8  . T3Y G 2 .  ? -19.42904 -23.57761 16.89461  1.000 15.39077 ? 101 T3Y B C8  1 
HETATM 2180 C C28 . T3Y G 2 .  ? -21.34809 -24.95936 16.54716  1.000 16.02254 ? 101 T3Y B C28 1 
HETATM 2181 O O16 . T3Y G 2 .  ? -21.88875 -26.11995 16.09382  1.000 15.61067 ? 101 T3Y B O16 1 
HETATM 2182 C C9  . T3Y G 2 .  ? -19.96158 -24.76972 16.43719  1.000 15.87998 ? 101 T3Y B C9  1 
HETATM 2183 C C10 . T3Y G 2 .  ? -19.04966 -25.79423 15.78605  1.000 17.81874 ? 101 T3Y B C10 1 
HETATM 2184 C C11 . T3Y G 2 .  ? -18.81312 -25.37578 14.34354  1.000 16.57874 ? 101 T3Y B C11 1 
HETATM 2185 C C12 . T3Y G 2 .  ? -17.73303 -24.57454 14.00559  1.000 15.74936 ? 101 T3Y B C12 1 
HETATM 2186 C C13 . T3Y G 2 .  ? -17.53152 -24.17632 12.69471  1.000 16.16189 ? 101 T3Y B C13 1 
HETATM 2187 S S3  . T3Y G 2 .  ? -16.12791 -23.16734 12.31134  1.000 18.68075 ? 101 T3Y B S3  1 
HETATM 2188 O O7  . T3Y G 2 .  ? -16.43862 -21.83461 12.76161  1.000 21.61530 ? 101 T3Y B O7  1 
HETATM 2189 O O8  . T3Y G 2 .  ? -15.95427 -23.21133 10.83864  1.000 23.81509 ? 101 T3Y B O8  1 
HETATM 2190 O O9  . T3Y G 2 .  ? -15.00068 -23.74770 13.00207  1.000 16.71661 ? 101 T3Y B O9  1 
HETATM 2191 C C14 . T3Y G 2 .  ? -18.39391 -24.58324 11.68906  1.000 17.83290 ? 101 T3Y B C14 1 
HETATM 2192 C C27 . T3Y G 2 .  ? -19.67807 -25.77502 13.31803  1.000 16.17531 ? 101 T3Y B C27 1 
HETATM 2193 O O15 . T3Y G 2 .  ? -20.73262 -26.56484 13.64578  1.000 17.10020 ? 101 T3Y B O15 1 
HETATM 2194 C C15 . T3Y G 2 .  ? -19.48579 -25.38826 11.98348  1.000 16.51377 ? 101 T3Y B C15 1 
HETATM 2195 C C16 . T3Y G 2 .  ? -20.43532 -25.83224 10.88484  1.000 20.53571 ? 101 T3Y B C16 1 
HETATM 2196 C C17 . T3Y G 2 .  ? -21.62873 -24.90420 10.74375  1.000 16.91811 ? 101 T3Y B C17 1 
HETATM 2197 C C18 . T3Y G 2 .  ? -21.62677 -23.89671 9.78937   1.000 18.71322 ? 101 T3Y B C18 1 
HETATM 2198 C C26 . T3Y G 2 .  ? -22.75670 -25.03786 11.56539  1.000 15.04581 ? 101 T3Y B C26 1 
HETATM 2199 O O14 . T3Y G 2 .  ? -22.79371 -26.01375 12.51114  1.000 18.93072 ? 101 T3Y B O14 1 
HETATM 2200 C C21 . T3Y G 2 .  ? -23.85748 -24.17816 11.45062  1.000 19.03377 ? 101 T3Y B C21 1 
HETATM 2201 C C20 . T3Y G 2 .  ? -23.81921 -23.18952 10.48001  1.000 20.07977 ? 101 T3Y B C20 1 
HETATM 2202 C C19 . T3Y G 2 .  ? -22.71746 -23.05408 9.65485   1.000 19.84221 ? 101 T3Y B C19 1 
HETATM 2203 S S4  . T3Y G 2 .  ? -22.70278 -21.77431 8.43042   1.000 29.59527 ? 101 T3Y B S4  1 
HETATM 2204 O O11 . T3Y G 2 .  ? -22.48323 -20.53734 9.13542   1.000 31.72714 ? 101 T3Y B O11 1 
HETATM 2205 O O10 . T3Y G 2 .  ? -21.54768 -22.04724 7.54119   1.000 30.58451 ? 101 T3Y B O10 1 
HETATM 2206 O O12 . T3Y G 2 .  ? -23.94963 -21.86270 7.71591   1.000 40.60718 ? 101 T3Y B O12 1 
HETATM 2207 C C1  . BDF H 3 .  ? -30.03490 8.67680   10.53877  1.000 18.03105 ? 102 BDF B C1  1 
HETATM 2208 C C2  . BDF H 3 .  ? -29.53443 8.54295   9.11054   1.000 14.79438 ? 102 BDF B C2  1 
HETATM 2209 C C3  . BDF H 3 .  ? -29.35245 7.07631   8.69871   1.000 15.10490 ? 102 BDF B C3  1 
HETATM 2210 C C4  . BDF H 3 .  ? -28.70611 7.00877   7.31925   1.000 13.66753 ? 102 BDF B C4  1 
HETATM 2211 C C5  . BDF H 3 .  ? -27.38984 7.77479   7.32719   1.000 13.82316 ? 102 BDF B C5  1 
HETATM 2212 C C6  . BDF H 3 .  ? -27.65320 9.19764   7.77953   1.000 13.89118 ? 102 BDF B C6  1 
HETATM 2213 O O1  . BDF H 3 .  ? -30.41395 10.01527  10.82022  1.000 24.87683 ? 102 BDF B O1  1 
HETATM 2214 O O2  . BDF H 3 .  ? -30.42268 9.13786   8.20140   1.000 17.29808 ? 102 BDF B O2  1 
HETATM 2215 O O3  . BDF H 3 .  ? -30.60192 6.39264   8.69466   1.000 15.25501 ? 102 BDF B O3  1 
HETATM 2216 O O4  . BDF H 3 .  ? -28.53955 5.65452   6.92798   1.000 13.31387 ? 102 BDF B O4  1 
HETATM 2217 O O5  . BDF H 3 .  ? -26.44341 7.20498   8.23722   1.000 12.80855 ? 102 BDF B O5  1 
HETATM 2218 O O6  . BDF H 3 .  ? -28.27584 9.20990   9.07137   1.000 14.82666 ? 102 BDF B O6  1 
HETATM 2219 C C1  . BDF I 3 .  ? -22.59066 9.99640   -6.49554  1.000 23.26127 ? 103 BDF B C1  1 
HETATM 2220 C C2  . BDF I 3 .  ? -21.13169 9.81518   -6.88401  1.000 16.94791 ? 103 BDF B C2  1 
HETATM 2221 C C3  . BDF I 3 .  ? -20.77294 8.33572   -7.07823  1.000 18.81199 ? 103 BDF B C3  1 
HETATM 2222 C C4  . BDF I 3 .  ? -19.26714 8.18515   -7.28097  1.000 15.15342 ? 103 BDF B C4  1 
HETATM 2223 C C5  . BDF I 3 .  ? -18.52157 8.81466   -6.11418  1.000 16.45161 ? 103 BDF B C5  1 
HETATM 2224 C C6  . BDF I 3 .  ? -18.95445 10.25970  -5.97408  1.000 16.32289 ? 103 BDF B C6  1 
HETATM 2225 O O1  . BDF I 3 .  ? -22.95424 11.36775  -6.53755  1.000 26.92143 ? 103 BDF B O1  1 
HETATM 2226 O O2  . BDF I 3 .  ? -20.83925 10.49726  -8.07457  1.000 21.80426 ? 103 BDF B O2  1 
HETATM 2227 O O3  . BDF I 3 .  ? -21.47000 7.79868   -8.19786  1.000 24.00941 ? 103 BDF B O3  1 
HETATM 2228 O O4  . BDF I 3 .  ? -18.92318 6.81476   -7.45188  1.000 14.50179 ? 103 BDF B O4  1 
HETATM 2229 O O5  . BDF I 3 .  ? -18.82357 8.13749   -4.89247  1.000 15.58962 ? 103 BDF B O5  1 
HETATM 2230 O O6  . BDF I 3 .  ? -20.37565 10.35407  -5.80338  1.000 19.14678 ? 103 BDF B O6  1 
HETATM 2231 C C1  . BDF J 3 .  ? -3.88328  9.32759   -9.00229  1.000 13.77672 ? 101 BDF C C1  1 
HETATM 2232 C C2  . BDF J 3 .  ? -2.83311  9.07756   -7.93188  1.000 12.42206 ? 101 BDF C C2  1 
HETATM 2233 C C3  . BDF J 3 .  ? -2.62481  7.57725   -7.68547  1.000 12.88922 ? 101 BDF C C3  1 
HETATM 2234 C C4  . BDF J 3 .  ? -1.71593  7.36481   -6.47927  1.000 11.43261 ? 101 BDF C C4  1 
HETATM 2235 C C5  . BDF J 3 .  ? -2.28763  8.08668   -5.26669  1.000 12.46057 ? 101 BDF C C5  1 
HETATM 2236 C C6  . BDF J 3 .  ? -2.47215  9.54860   -5.61007  1.000 12.74936 ? 101 BDF C C6  1 
HETATM 2237 O O1  . BDF J 3 .  ? -3.46110  8.79997   -10.25254 1.000 16.69355 ? 101 BDF C O1  1 
HETATM 2238 O O2  . BDF J 3 .  ? -1.58951  9.63293   -8.28124  1.000 14.51967 ? 101 BDF C O2  1 
HETATM 2239 O O3  . BDF J 3 .  ? -2.07083  6.94823   -8.83324  1.000 12.72173 ? 101 BDF C O3  1 
HETATM 2240 O O4  . BDF J 3 .  ? -1.55093  5.97452   -6.23749  1.000 13.14238 ? 101 BDF C O4  1 
HETATM 2241 O O5  . BDF J 3 .  ? -3.56813  7.57792   -4.87897  1.000 12.62953 ? 101 BDF C O5  1 
HETATM 2242 O O6  . BDF J 3 .  ? -3.33620  9.68896   -6.74732  1.000 13.05460 ? 101 BDF C O6  1 
HETATM 2243 C C1  . BDF K 3 .  ? 7.26913   8.65771   5.76419   1.000 16.51623 ? 102 BDF C C1  1 
HETATM 2244 C C2  . BDF K 3 .  ? 6.95920   8.44966   7.23813   1.000 13.48536 ? 102 BDF C C2  1 
HETATM 2245 C C3  . BDF K 3 .  ? 6.82324   6.96198   7.58950   1.000 11.61481 ? 102 BDF C C3  1 
HETATM 2246 C C4  . BDF K 3 .  ? 6.32522   6.80898   9.02285   1.000 12.30346 ? 102 BDF C C4  1 
HETATM 2247 C C5  . BDF K 3 .  ? 5.02035   7.57162   9.19576   1.000 13.36824 ? 102 BDF C C5  1 
HETATM 2248 C C6  . BDF K 3 .  ? 5.24913   9.02144   8.82256   1.000 13.64141 ? 102 BDF C C6  1 
HETATM 2249 O O1  . BDF K 3 .  ? 7.52301   10.02663  5.48462   1.000 20.52467 ? 102 BDF C O1  1 
HETATM 2250 O O2  . BDF K 3 .  ? 7.96756   8.98690   8.05583   1.000 15.31484 ? 102 BDF C O2  1 
HETATM 2251 O O3  . BDF K 3 .  ? 8.07286   6.29526   7.43013   1.000 12.85629 ? 102 BDF C O3  1 
HETATM 2252 O O4  . BDF K 3 .  ? 6.17499   5.43526   9.33788   1.000 10.99889 ? 102 BDF C O4  1 
HETATM 2253 O O5  . BDF K 3 .  ? 4.00975   7.07070   8.31837   1.000 11.13559 ? 102 BDF C O5  1 
HETATM 2254 O O6  . BDF K 3 .  ? 5.71960   9.11283   7.47068   1.000 13.33748 ? 102 BDF C O6  1 
HETATM 2255 O O   . HOH L 4 .  ? -25.64477 -7.85680  12.55678  1.000 36.86536 ? 201 HOH A O   1 
HETATM 2256 O O   . HOH L 4 .  ? -0.04098  -16.08810 3.98441   1.000 36.92904 ? 202 HOH A O   1 
HETATM 2257 O O   . HOH L 4 .  ? -1.86830  -22.05323 0.96238   1.000 27.36736 ? 203 HOH A O   1 
HETATM 2258 O O   . HOH L 4 .  ? -7.540    -15.398   14.361    1.000 31.52164 ? 204 HOH A O   1 
HETATM 2259 O O   . HOH L 4 .  ? 9.71205   -20.54226 4.85150   1.000 22.77881 ? 205 HOH A O   1 
HETATM 2260 O O   . HOH L 4 .  ? -11.07487 8.84358   28.10111  1.000 20.76281 ? 206 HOH A O   1 
HETATM 2261 O O   . HOH L 4 .  ? -17.20287 11.72454  24.69545  1.000 22.85095 ? 207 HOH A O   1 
HETATM 2262 O O   . HOH L 4 .  ? -20.78956 -0.19952  27.73456  1.000 26.46377 ? 208 HOH A O   1 
HETATM 2263 O O   . HOH L 4 .  ? -4.13238  17.04663  8.77859   1.000 23.62784 ? 209 HOH A O   1 
HETATM 2264 O O   . HOH L 4 .  ? 5.78570   16.30010  10.38142  1.000 30.74270 ? 210 HOH A O   1 
HETATM 2265 O O   . HOH L 4 .  ? -11.59659 20.67253  22.98217  1.000 30.60676 ? 211 HOH A O   1 
HETATM 2266 O O   . HOH L 4 .  ? 4.90905   14.93971  18.17502  1.000 24.32727 ? 212 HOH A O   1 
HETATM 2267 O O   . HOH L 4 .  ? 0.14249   -4.06715  17.20594  1.000 19.09881 ? 213 HOH A O   1 
HETATM 2268 O O   . HOH L 4 .  ? -17.11456 5.41654   28.03990  1.000 25.72436 ? 214 HOH A O   1 
HETATM 2269 O O   . HOH L 4 .  ? -8.04480  -12.94218 15.35887  1.000 19.03181 ? 215 HOH A O   1 
HETATM 2270 O O   . HOH L 4 .  ? -11.60526 5.52042   10.08667  1.000 30.25862 ? 216 HOH A O   1 
HETATM 2271 O O   . HOH L 4 .  ? -6.311    -19.476   13.412    1.000 40.00295 ? 217 HOH A O   1 
HETATM 2272 O O   . HOH L 4 .  ? -9.42766  21.08753  15.22314  1.000 25.08817 ? 218 HOH A O   1 
HETATM 2273 O O   . HOH L 4 .  ? -1.05437  -2.07067  22.48337  1.000 11.37298 ? 219 HOH A O   1 
HETATM 2274 O O   . HOH L 4 .  ? -14.07563 8.39413   27.83720  1.000 21.22845 ? 220 HOH A O   1 
HETATM 2275 O O   . HOH L 4 .  ? 0.08604   15.01842  16.90900  1.000 17.12215 ? 221 HOH A O   1 
HETATM 2276 O O   . HOH L 4 .  ? 5.61022   -25.18524 11.90360  1.000 31.75503 ? 222 HOH A O   1 
HETATM 2277 O O   . HOH L 4 .  ? -15.14489 -4.64672  14.86012  1.000 10.86721 ? 223 HOH A O   1 
HETATM 2278 O O   . HOH L 4 .  ? -9.98546  7.47627   10.78421  1.000 24.84093 ? 224 HOH A O   1 
HETATM 2279 O O   . HOH L 4 .  ? -21.79253 -3.89314  22.80425  1.000 18.44442 ? 225 HOH A O   1 
HETATM 2280 O O   . HOH L 4 .  ? -14.03478 -8.13305  20.99136  1.000 15.48475 ? 226 HOH A O   1 
HETATM 2281 O O   . HOH L 4 .  ? -6.82626  -1.34439  26.80006  1.000 25.03959 ? 227 HOH A O   1 
HETATM 2282 O O   . HOH L 4 .  ? 6.82577   -1.89915  22.34940  1.000 40.50326 ? 228 HOH A O   1 
HETATM 2283 O O   . HOH L 4 .  ? -0.83652  -2.19831  15.23642  1.000 10.99010 ? 229 HOH A O   1 
HETATM 2284 O O   . HOH L 4 .  ? -6.74706  -12.80204 11.65188  1.000 30.10122 ? 230 HOH A O   1 
HETATM 2285 O O   . HOH L 4 .  ? 6.51666   9.18957   17.31498  1.000 11.87422 ? 231 HOH A O   1 
HETATM 2286 O O   . HOH L 4 .  ? 5.41830   12.40323  10.56148  1.000 19.31511 ? 232 HOH A O   1 
HETATM 2287 O O   . HOH L 4 .  ? 4.840     2.900     25.030    1.000 21.38631 ? 233 HOH A O   1 
HETATM 2288 O O   . HOH L 4 .  ? -24.78158 -8.34291  19.27796  1.000 28.23237 ? 234 HOH A O   1 
HETATM 2289 O O   . HOH L 4 .  ? -8.95968  12.11254  12.80025  1.000 15.09275 ? 235 HOH A O   1 
HETATM 2290 O O   . HOH L 4 .  ? -8.53037  -4.18182  7.43631   1.000 15.72653 ? 236 HOH A O   1 
HETATM 2291 O O   . HOH L 4 .  ? -16.63114 -7.60489  21.88530  1.000 14.36168 ? 237 HOH A O   1 
HETATM 2292 O O   . HOH L 4 .  ? -26.33790 1.53012   22.75303  1.000 12.98616 ? 238 HOH A O   1 
HETATM 2293 O O   . HOH L 4 .  ? -22.49828 7.33263   26.36326  1.000 15.64157 ? 239 HOH A O   1 
HETATM 2294 O O   . HOH L 4 .  ? -9.50455  4.53235   31.49936  1.000 21.73014 ? 240 HOH A O   1 
HETATM 2295 O O   . HOH L 4 .  ? -10.98003 0.58594   30.56271  1.000 31.15954 ? 241 HOH A O   1 
HETATM 2296 O O   . HOH L 4 .  ? -13.89060 12.19285  11.98003  1.000 17.82755 ? 242 HOH A O   1 
HETATM 2297 O O   . HOH L 4 .  ? -12.71544 17.61688  23.93204  1.000 26.21679 ? 243 HOH A O   1 
HETATM 2298 O O   . HOH L 4 .  ? 12.07300  9.29214   19.46264  1.000 26.48872 ? 244 HOH A O   1 
HETATM 2299 O O   . HOH L 4 .  ? 3.98619   -4.29248  20.43879  1.000 32.45752 ? 245 HOH A O   1 
HETATM 2300 O O   . HOH L 4 .  ? -12.03780 -6.35454  27.71507  1.000 19.82250 ? 246 HOH A O   1 
HETATM 2301 O O   . HOH L 4 .  ? -17.99928 2.36072   30.75975  1.000 23.16021 ? 247 HOH A O   1 
HETATM 2302 O O   . HOH L 4 .  ? -2.47940  -7.94083  18.34690  1.000 17.68014 ? 248 HOH A O   1 
HETATM 2303 O O   . HOH L 4 .  ? 6.61099   -14.09633 10.20128  1.000 38.71596 ? 249 HOH A O   1 
HETATM 2304 O O   . HOH L 4 .  ? -22.56788 -6.11702  19.36636  1.000 17.06055 ? 250 HOH A O   1 
HETATM 2305 O O   . HOH L 4 .  ? -11.34859 -12.22586 20.92059  1.000 15.60226 ? 251 HOH A O   1 
HETATM 2306 O O   . HOH L 4 .  ? -2.21330  -12.41464 19.77464  1.000 25.03471 ? 252 HOH A O   1 
HETATM 2307 O O   . HOH L 4 .  ? 5.72246   10.25958  19.62683  1.000 21.72654 ? 253 HOH A O   1 
HETATM 2308 O O   . HOH L 4 .  ? 9.97181   4.39486   19.26599  1.000 33.48300 ? 254 HOH A O   1 
HETATM 2309 O O   . HOH L 4 .  ? -19.68182 -0.96173  23.75672  1.000 12.34238 ? 255 HOH A O   1 
HETATM 2310 O O   . HOH L 4 .  ? -1.85442  6.06938   27.20204  1.000 21.46649 ? 256 HOH A O   1 
HETATM 2311 O O   . HOH L 4 .  ? -14.75515 1.40532   31.09512  1.000 28.18164 ? 257 HOH A O   1 
HETATM 2312 O O   . HOH L 4 .  ? -13.08440 -5.64024  23.36176  1.000 14.10482 ? 258 HOH A O   1 
HETATM 2313 O O   . HOH L 4 .  ? -16.42572 -6.49428  26.11813  1.000 26.67465 ? 259 HOH A O   1 
HETATM 2314 O O   . HOH L 4 .  ? 2.84392   -20.61570 2.94757   1.000 31.82777 ? 260 HOH A O   1 
HETATM 2315 O O   . HOH L 4 .  ? -19.69498 -5.07622  24.86238  1.000 28.22365 ? 261 HOH A O   1 
HETATM 2316 O O   . HOH L 4 .  ? -23.93241 -5.09062  21.51029  1.000 19.24833 ? 262 HOH A O   1 
HETATM 2317 O O   . HOH L 4 .  ? 6.98911   0.64622   22.35810  1.000 20.91077 ? 263 HOH A O   1 
HETATM 2318 O O   . HOH L 4 .  ? 8.64304   -0.30714  19.69293  1.000 23.45263 ? 264 HOH A O   1 
HETATM 2319 O O   . HOH L 4 .  ? -4.90615  -13.50793 13.49653  1.000 21.95838 ? 265 HOH A O   1 
HETATM 2320 O O   . HOH L 4 .  ? -11.44114 -9.52484  11.21557  1.000 18.14846 ? 266 HOH A O   1 
HETATM 2321 O O   . HOH L 4 .  ? -0.64819  15.91496  14.33056  1.000 16.49361 ? 267 HOH A O   1 
HETATM 2322 O O   . HOH L 4 .  ? 9.71285   -0.61637  17.20106  1.000 23.81404 ? 268 HOH A O   1 
HETATM 2323 O O   . HOH L 4 .  ? -9.06163  2.16526   9.14271   1.000 13.70814 ? 269 HOH A O   1 
HETATM 2324 O O   . HOH L 4 .  ? -23.41239 -0.58355  26.09532  1.000 27.95118 ? 270 HOH A O   1 
HETATM 2325 O O   . HOH L 4 .  ? 11.363    10.593    13.217    1.000 29.90947 ? 271 HOH A O   1 
HETATM 2326 O O   . HOH L 4 .  ? -6.94970  16.06510  11.66573  1.000 14.94195 ? 272 HOH A O   1 
HETATM 2327 O O   . HOH L 4 .  ? -9.58561  -1.24529  8.22508   1.000 22.27260 ? 273 HOH A O   1 
HETATM 2328 O O   . HOH L 4 .  ? -7.69267  -11.09651 13.39199  1.000 23.81190 ? 274 HOH A O   1 
HETATM 2329 O O   . HOH L 4 .  ? -11.51604 15.92391  13.13796  1.000 16.90094 ? 275 HOH A O   1 
HETATM 2330 O O   . HOH L 4 .  ? -6.26863  3.26318   29.17202  1.000 17.61555 ? 276 HOH A O   1 
HETATM 2331 O O   . HOH L 4 .  ? -4.17863  17.89471  18.27261  1.000 26.44573 ? 277 HOH A O   1 
HETATM 2332 O O   . HOH L 4 .  ? -16.89659 14.98572  20.99785  1.000 21.09067 ? 278 HOH A O   1 
HETATM 2333 O O   . HOH L 4 .  ? 0.30647   -1.53479  26.37611  1.000 24.27816 ? 279 HOH A O   1 
HETATM 2334 O O   . HOH L 4 .  ? 8.37265   13.19465  11.26106  1.000 35.69089 ? 280 HOH A O   1 
HETATM 2335 O O   . HOH L 4 .  ? 3.04402   19.86194  12.26938  1.000 35.99687 ? 281 HOH A O   1 
HETATM 2336 O O   . HOH L 4 .  ? -29.35538 -3.11243  17.56014  1.000 35.88469 ? 282 HOH A O   1 
HETATM 2337 O O   . HOH L 4 .  ? -4.72754  -20.74910 8.93497   1.000 36.84673 ? 283 HOH A O   1 
HETATM 2338 O O   . HOH L 4 .  ? -20.81122 -13.97443 19.92745  1.000 32.93176 ? 284 HOH A O   1 
HETATM 2339 O O   . HOH L 4 .  ? -18.72498 -13.25586 21.71402  1.000 35.37109 ? 285 HOH A O   1 
HETATM 2340 O O   . HOH L 4 .  ? 0.16330   -4.27799  23.65544  1.000 24.14553 ? 286 HOH A O   1 
HETATM 2341 O O   . HOH L 4 .  ? -8.12438  9.48342   10.09941  1.000 22.71258 ? 287 HOH A O   1 
HETATM 2342 O O   . HOH L 4 .  ? -12.68660 21.05365  15.91416  1.000 23.70460 ? 288 HOH A O   1 
HETATM 2343 O O   . HOH L 4 .  ? -8.12993  -6.81830  28.41984  1.000 37.45296 ? 289 HOH A O   1 
HETATM 2344 O O   . HOH L 4 .  ? 1.22358   -3.13142  19.73177  1.000 28.25159 ? 290 HOH A O   1 
HETATM 2345 O O   . HOH L 4 .  ? -11.34340 1.31217   10.46355  1.000 12.16459 ? 291 HOH A O   1 
HETATM 2346 O O   . HOH L 4 .  ? -11.64896 8.99509   11.37320  1.000 29.26691 ? 292 HOH A O   1 
HETATM 2347 O O   . HOH L 4 .  ? -7.40188  -10.56545 7.67788   1.000 28.92391 ? 293 HOH A O   1 
HETATM 2348 O O   . HOH L 4 .  ? -2.27765  19.89015  13.44360  1.000 40.30923 ? 294 HOH A O   1 
HETATM 2349 O O   . HOH L 4 .  ? -13.81225 14.61099  26.92708  1.000 36.97818 ? 295 HOH A O   1 
HETATM 2350 O O   . HOH L 4 .  ? -11.86964 -1.34995  9.72252   1.000 23.85145 ? 296 HOH A O   1 
HETATM 2351 O O   . HOH L 4 .  ? -2.62247  -14.48518 12.42872  1.000 36.76161 ? 297 HOH A O   1 
HETATM 2352 O O   . HOH L 4 .  ? -10.47764 15.85685  25.84666  1.000 27.44070 ? 298 HOH A O   1 
HETATM 2353 O O   . HOH L 4 .  ? 9.45562   2.08080   20.70175  1.000 27.02833 ? 299 HOH A O   1 
HETATM 2354 O O   . HOH L 4 .  ? -10.75452 11.45937  10.68263  1.000 30.66339 ? 300 HOH A O   1 
HETATM 2355 O O   . HOH L 4 .  ? -0.47437  -13.92374 18.59003  1.000 31.78594 ? 301 HOH A O   1 
HETATM 2356 O O   . HOH L 4 .  ? 3.519     7.835     25.091    1.000 20.00464 ? 302 HOH A O   1 
HETATM 2357 O O   . HOH L 4 .  ? -11.35962 -4.82344  7.52620   1.000 17.79770 ? 303 HOH A O   1 
HETATM 2358 O O   . HOH L 4 .  ? -16.53959 9.22666   29.02328  1.000 32.60473 ? 304 HOH A O   1 
HETATM 2359 O O   . HOH L 4 .  ? 9.91388   -19.80073 7.53662   1.000 36.96988 ? 305 HOH A O   1 
HETATM 2360 O O   . HOH L 4 .  ? 4.67381   12.87410  7.88547   1.000 26.55749 ? 306 HOH A O   1 
HETATM 2361 O O   . HOH L 4 .  ? -17.99910 12.53786  22.30153  1.000 26.07354 ? 307 HOH A O   1 
HETATM 2362 O O   . HOH L 4 .  ? -6.15706  0.66511   28.38523  1.000 25.61763 ? 308 HOH A O   1 
HETATM 2363 O O   . HOH L 4 .  ? 0.087     -17.978   16.970    1.000 33.71509 ? 309 HOH A O   1 
HETATM 2364 O O   . HOH L 4 .  ? -5.87107  15.14998  9.46357   1.000 31.99332 ? 310 HOH A O   1 
HETATM 2365 O O   . HOH L 4 .  ? -4.45111  18.14072  15.76537  1.000 33.39889 ? 311 HOH A O   1 
HETATM 2366 O O   . HOH L 4 .  ? 8.185     7.400     21.235    1.000 30.87835 ? 312 HOH A O   1 
HETATM 2367 O O   . HOH L 4 .  ? -1.38606  -9.78890  19.99669  1.000 32.58244 ? 313 HOH A O   1 
HETATM 2368 O O   . HOH L 4 .  ? 13.38250  11.08326  18.36449  1.000 21.46930 ? 314 HOH A O   1 
HETATM 2369 O O   . HOH L 4 .  ? 6.27272   16.85978  16.34233  1.000 31.51082 ? 315 HOH A O   1 
HETATM 2370 O O   . HOH L 4 .  ? -6.77957  18.80839  11.75177  1.000 26.95324 ? 316 HOH A O   1 
HETATM 2371 O O   . HOH L 4 .  ? -9.19924  14.76017  12.52075  1.000 21.67557 ? 317 HOH A O   1 
HETATM 2372 O O   . HOH L 4 .  ? -14.12384 -5.50116  29.66286  1.000 40.00505 ? 318 HOH A O   1 
HETATM 2373 O O   . HOH L 4 .  ? -17.06430 -9.65416  23.64002  1.000 20.79271 ? 319 HOH A O   1 
HETATM 2374 O O   . HOH L 4 .  ? -18.401   7.264     29.409    1.000 19.29578 ? 320 HOH A O   1 
HETATM 2375 O O   . HOH L 4 .  ? -13.85863 -7.12368  25.73275  1.000 18.68798 ? 321 HOH A O   1 
HETATM 2376 O O   . HOH L 4 .  ? -4.70062  19.81663  13.92635  1.000 39.12873 ? 322 HOH A O   1 
HETATM 2377 O O   . HOH L 4 .  ? 6.97013   15.54734  8.01160   1.000 40.03424 ? 323 HOH A O   1 
HETATM 2378 O O   . HOH L 4 .  ? -8.422    0.743     32.317    1.000 35.76525 ? 324 HOH A O   1 
HETATM 2379 O O   . HOH L 4 .  ? 2.48206   15.67086  18.34689  1.000 21.07241 ? 325 HOH A O   1 
HETATM 2380 O O   . HOH L 4 .  ? 1.49265   -3.65915  25.77806  1.000 29.85076 ? 326 HOH A O   1 
HETATM 2381 O O   . HOH L 4 .  ? -11.56360 -13.36823 23.31739  1.000 21.69116 ? 327 HOH A O   1 
HETATM 2382 O O   . HOH L 4 .  ? -18.31164 -8.92728  26.06935  1.000 32.03463 ? 328 HOH A O   1 
HETATM 2383 O O   . HOH L 4 .  ? -11.33612 18.45964  12.35404  1.000 28.74594 ? 329 HOH A O   1 
HETATM 2384 O O   . HOH L 4 .  ? -6.94064  -20.07337 10.77130  1.000 38.96027 ? 330 HOH A O   1 
HETATM 2385 O O   . HOH L 4 .  ? -13.36250 -12.04485 24.97937  1.000 31.06638 ? 331 HOH A O   1 
HETATM 2386 O O   . HOH L 4 .  ? -14.54932 -9.69466  25.02840  1.000 33.68728 ? 332 HOH A O   1 
HETATM 2387 O O   . HOH L 4 .  ? -9.37915  20.04034  12.64318  1.000 25.42973 ? 333 HOH A O   1 
HETATM 2388 O O   . HOH L 4 .  ? -4.30883  21.75362  9.69820   1.000 42.19228 ? 334 HOH A O   1 
HETATM 2389 O O   . HOH L 4 .  ? -15.68781 -13.41186 24.50397  1.000 38.64360 ? 335 HOH A O   1 
HETATM 2390 O O   . HOH M 4 .  ? -26.30514 4.89809   -9.43192  1.000 27.24710 ? 201 HOH B O   1 
HETATM 2391 O O   . HOH M 4 .  ? -13.28906 -4.49584  9.37206   1.000 33.19824 ? 202 HOH B O   1 
HETATM 2392 O O   . HOH M 4 .  ? -31.27110 -1.27226  -1.80409  1.000 37.95419 ? 203 HOH B O   1 
HETATM 2393 O O   . HOH M 4 .  ? -32.51284 3.96904   -2.46225  1.000 33.69262 ? 204 HOH B O   1 
HETATM 2394 O O   . HOH M 4 .  ? -15.79388 -4.02366  1.03896   1.000 14.58740 ? 205 HOH B O   1 
HETATM 2395 O O   . HOH M 4 .  ? -22.92358 -28.32892 11.30046  1.000 26.38999 ? 206 HOH B O   1 
HETATM 2396 O O   . HOH M 4 .  ? -28.93543 10.44132  -0.68227  1.000 22.72211 ? 207 HOH B O   1 
HETATM 2397 O O   . HOH M 4 .  ? -29.33359 -0.78685  9.46434   1.000 12.33683 ? 208 HOH B O   1 
HETATM 2398 O O   . HOH M 4 .  ? -19.12070 -2.15886  -8.55888  1.000 21.52269 ? 209 HOH B O   1 
HETATM 2399 O O   . HOH M 4 .  ? -27.53667 9.09247   -3.04176  1.000 32.54522 ? 210 HOH B O   1 
HETATM 2400 O O   . HOH M 4 .  ? -13.21552 -3.38022  -4.94973  1.000 16.91960 ? 211 HOH B O   1 
HETATM 2401 O O   . HOH M 4 .  ? -25.65866 -6.90238  10.01164  1.000 20.68723 ? 212 HOH B O   1 
HETATM 2402 O O   . HOH M 4 .  ? -25.63006 -27.57431 14.96153  1.000 28.96373 ? 213 HOH B O   1 
HETATM 2403 O O   . HOH M 4 .  ? -27.91435 10.07236  19.13998  1.000 15.32714 ? 214 HOH B O   1 
HETATM 2404 O O   . HOH M 4 .  ? -28.03689 13.06780  6.17289   1.000 34.58783 ? 215 HOH B O   1 
HETATM 2405 O O   . HOH M 4 .  ? -21.34353 -6.28279  -4.02694  1.000 18.76306 ? 216 HOH B O   1 
HETATM 2406 O O   . HOH M 4 .  ? -17.959   17.431    21.820    1.000 36.18650 ? 217 HOH B O   1 
HETATM 2407 O O   . HOH M 4 .  ? -13.12913 12.80548  4.29460   1.000 19.25390 ? 218 HOH B O   1 
HETATM 2408 O O   . HOH M 4 .  ? -21.67694 -4.39128  15.62969  1.000 13.62530 ? 219 HOH B O   1 
HETATM 2409 O O   . HOH M 4 .  ? -30.77742 11.82361  8.38765   1.000 30.38639 ? 220 HOH B O   1 
HETATM 2410 O O   . HOH M 4 .  ? -25.68195 -3.09832  12.98203  1.000 17.50722 ? 221 HOH B O   1 
HETATM 2411 O O   . HOH M 4 .  ? -23.79113 15.67587  14.40395  1.000 20.61478 ? 222 HOH B O   1 
HETATM 2412 O O   . HOH M 4 .  ? -21.11293 12.51346  21.60189  1.000 19.29007 ? 223 HOH B O   1 
HETATM 2413 O O   . HOH M 4 .  ? -16.12766 12.38552  8.04024   1.000 18.09576 ? 224 HOH B O   1 
HETATM 2414 O O   . HOH M 4 .  ? -20.79617 -12.35026 6.30400   1.000 31.56381 ? 225 HOH B O   1 
HETATM 2415 O O   . HOH M 4 .  ? -30.67796 1.45708   -1.12356  1.000 28.21937 ? 226 HOH B O   1 
HETATM 2416 O O   . HOH M 4 .  ? -14.08655 7.80855   7.97742   1.000 24.52252 ? 227 HOH B O   1 
HETATM 2417 O O   . HOH M 4 .  ? -30.69990 11.81462  15.46205  1.000 21.59342 ? 228 HOH B O   1 
HETATM 2418 O O   . HOH M 4 .  ? -23.31419 -1.60884  13.32177  1.000 10.92396 ? 229 HOH B O   1 
HETATM 2419 O O   . HOH M 4 .  ? -26.32812 15.29377  3.73460   1.000 34.25162 ? 230 HOH B O   1 
HETATM 2420 O O   . HOH M 4 .  ? -14.52696 -9.05986  5.50309   1.000 29.97663 ? 231 HOH B O   1 
HETATM 2421 O O   . HOH M 4 .  ? -17.961   22.786    16.754    1.000 33.14832 ? 232 HOH B O   1 
HETATM 2422 O O   . HOH M 4 .  ? -33.91462 3.27533   14.35370  1.000 14.94827 ? 233 HOH B O   1 
HETATM 2423 O O   . HOH M 4 .  ? -22.15476 -14.31300 12.79391  1.000 38.73132 ? 234 HOH B O   1 
HETATM 2424 O O   . HOH M 4 .  ? -30.05358 -6.42588  2.66000   1.000 31.91150 ? 235 HOH B O   1 
HETATM 2425 O O   . HOH M 4 .  ? -13.11034 5.28523   7.47988   1.000 30.57108 ? 236 HOH B O   1 
HETATM 2426 O O   . HOH M 4 .  ? -20.78511 20.28087  18.78306  1.000 27.52558 ? 237 HOH B O   1 
HETATM 2427 O O   . HOH M 4 .  ? -21.83037 -6.89828  -1.27436  1.000 19.57936 ? 238 HOH B O   1 
HETATM 2428 O O   . HOH M 4 .  ? -23.51154 19.00559  0.10115   1.000 31.58946 ? 239 HOH B O   1 
HETATM 2429 O O   . HOH M 4 .  ? -26.31396 7.54469   -7.12193  1.000 33.39962 ? 240 HOH B O   1 
HETATM 2430 O O   . HOH M 4 .  ? -20.04487 -14.38664 14.68716  1.000 24.39231 ? 241 HOH B O   1 
HETATM 2431 O O   . HOH M 4 .  ? -14.37646 16.97664  14.35092  1.000 20.62858 ? 242 HOH B O   1 
HETATM 2432 O O   . HOH M 4 .  ? -25.37010 11.88342  -7.82294  1.000 33.87987 ? 243 HOH B O   1 
HETATM 2433 O O   . HOH M 4 .  ? -35.373   10.211    -0.831    1.000 30.93008 ? 244 HOH B O   1 
HETATM 2434 O O   . HOH M 4 .  ? -12.43065 -22.91228 13.70469  1.000 22.63381 ? 245 HOH B O   1 
HETATM 2435 O O   . HOH M 4 .  ? -29.47912 2.97351   -6.44864  1.000 20.95848 ? 246 HOH B O   1 
HETATM 2436 O O   . HOH M 4 .  ? -24.27514 -4.48468  -1.54078  1.000 16.87025 ? 247 HOH B O   1 
HETATM 2437 O O   . HOH M 4 .  ? -31.45500 1.83700   2.70912   1.000 24.14988 ? 248 HOH B O   1 
HETATM 2438 O O   . HOH M 4 .  ? -27.89748 -22.00985 17.64834  1.000 23.89657 ? 249 HOH B O   1 
HETATM 2439 O O   . HOH M 4 .  ? -29.00052 0.69171   2.20871   1.000 27.38262 ? 250 HOH B O   1 
HETATM 2440 O O   . HOH M 4 .  ? -19.60507 -16.70955 16.68685  1.000 37.96293 ? 251 HOH B O   1 
HETATM 2441 O O   . HOH M 4 .  ? -21.49731 16.55335  22.13272  1.000 36.92695 ? 252 HOH B O   1 
HETATM 2442 O O   . HOH M 4 .  ? -21.14332 16.35202  14.75273  1.000 16.34495 ? 253 HOH B O   1 
HETATM 2443 O O   . HOH M 4 .  ? -11.46792 -7.53836  7.38476   1.000 21.37460 ? 254 HOH B O   1 
HETATM 2444 O O   . HOH M 4 .  ? -10.07244 -2.39714  -11.33175 1.000 32.89366 ? 255 HOH B O   1 
HETATM 2445 O O   . HOH M 4 .  ? -12.96023 -3.98827  5.40528   1.000 22.35522 ? 256 HOH B O   1 
HETATM 2446 O O   . HOH M 4 .  ? -28.71998 12.25391  11.80395  1.000 33.91814 ? 257 HOH B O   1 
HETATM 2447 O O   . HOH M 4 .  ? -15.04137 16.40872  5.69940   1.000 19.36579 ? 258 HOH B O   1 
HETATM 2448 O O   . HOH M 4 .  ? -20.99049 0.55763   -7.05934  1.000 15.59114 ? 259 HOH B O   1 
HETATM 2449 O O   . HOH M 4 .  ? -24.99873 -4.63529  -5.83561  1.000 23.16623 ? 260 HOH B O   1 
HETATM 2450 O O   . HOH M 4 .  ? -20.59706 -13.04393 9.89204   1.000 35.04606 ? 261 HOH B O   1 
HETATM 2451 O O   . HOH M 4 .  ? -12.30510 7.00811   5.62647   1.000 28.77648 ? 262 HOH B O   1 
HETATM 2452 O O   . HOH M 4 .  ? -17.16250 -3.57263  -9.80751  1.000 23.78290 ? 263 HOH B O   1 
HETATM 2453 O O   . HOH M 4 .  ? -32.19901 10.63332  23.37358  1.000 28.36328 ? 264 HOH B O   1 
HETATM 2454 O O   . HOH M 4 .  ? -21.27053 0.98433   -10.40313 1.000 22.09135 ? 265 HOH B O   1 
HETATM 2455 O O   . HOH M 4 .  ? -32.61551 7.45755   6.90041   1.000 20.88254 ? 266 HOH B O   1 
HETATM 2456 O O   . HOH M 4 .  ? -13.58863 2.36480   9.39523   1.000 11.84227 ? 267 HOH B O   1 
HETATM 2457 O O   . HOH M 4 .  ? -16.00759 -5.07360  -7.80673  1.000 24.96965 ? 268 HOH B O   1 
HETATM 2458 O O   . HOH M 4 .  ? -25.26693 15.22835  10.16351  1.000 26.60309 ? 269 HOH B O   1 
HETATM 2459 O O   . HOH M 4 .  ? -33.17072 10.06681  9.87333   1.000 26.30345 ? 270 HOH B O   1 
HETATM 2460 O O   . HOH M 4 .  ? -32.98553 1.91714   16.96333  1.000 18.18339 ? 271 HOH B O   1 
HETATM 2461 O O   . HOH M 4 .  ? -32.15834 4.26232   1.65503   1.000 20.03800 ? 272 HOH B O   1 
HETATM 2462 O O   . HOH M 4 .  ? -21.76720 -3.46896  -8.00145  1.000 26.19106 ? 273 HOH B O   1 
HETATM 2463 O O   . HOH M 4 .  ? -15.94971 -21.68763 15.69789  1.000 20.04119 ? 274 HOH B O   1 
HETATM 2464 O O   . HOH M 4 .  ? -15.75606 16.23595  10.49588  1.000 17.47894 ? 275 HOH B O   1 
HETATM 2465 O O   . HOH M 4 .  ? -23.39073 -11.27756 0.87929   1.000 31.21457 ? 276 HOH B O   1 
HETATM 2466 O O   . HOH M 4 .  ? -22.84042 13.26039  23.54116  1.000 24.56050 ? 277 HOH B O   1 
HETATM 2467 O O   . HOH M 4 .  ? -25.51387 16.33008  7.46321   1.000 29.66738 ? 278 HOH B O   1 
HETATM 2468 O O   . HOH M 4 .  ? -14.32552 9.54768   10.05812  1.000 21.59460 ? 279 HOH B O   1 
HETATM 2469 O O   . HOH M 4 .  ? -19.36166 16.08361  -2.72759  1.000 27.78657 ? 280 HOH B O   1 
HETATM 2470 O O   . HOH M 4 .  ? -28.58433 -4.78527  -2.99009  1.000 25.30865 ? 281 HOH B O   1 
HETATM 2471 O O   . HOH M 4 .  ? -26.03601 15.93767  16.33678  1.000 36.65412 ? 282 HOH B O   1 
HETATM 2472 O O   . HOH M 4 .  ? -18.96574 -10.82863 7.87178   1.000 34.08069 ? 283 HOH B O   1 
HETATM 2473 O O   . HOH M 4 .  ? -28.32579 -2.05036  13.02059  1.000 24.40516 ? 284 HOH B O   1 
HETATM 2474 O O   . HOH M 4 .  ? -13.85174 9.61242   6.36823   1.000 30.33832 ? 285 HOH B O   1 
HETATM 2475 O O   . HOH M 4 .  ? -13.31837 -1.35874  7.47396   1.000 21.09936 ? 286 HOH B O   1 
HETATM 2476 O O   . HOH M 4 .  ? -31.10352 12.98893  11.19728  1.000 38.01664 ? 287 HOH B O   1 
HETATM 2477 O O   . HOH M 4 .  ? -20.62782 19.37241  14.39763  1.000 28.61805 ? 288 HOH B O   1 
HETATM 2478 O O   . HOH M 4 .  ? -13.54926 1.51269   6.78911   1.000 13.12487 ? 289 HOH B O   1 
HETATM 2479 O O   . HOH M 4 .  ? -29.87815 0.60049   22.02102  1.000 31.84546 ? 290 HOH B O   1 
HETATM 2480 O O   . HOH M 4 .  ? -16.90345 -19.59806 10.50260  1.000 38.20463 ? 291 HOH B O   1 
HETATM 2481 O O   . HOH M 4 .  ? -13.68284 11.49498  7.63396   1.000 26.63285 ? 292 HOH B O   1 
HETATM 2482 O O   . HOH M 4 .  ? -31.38010 -2.67461  9.74462   1.000 20.63702 ? 293 HOH B O   1 
HETATM 2483 O O   . HOH M 4 .  ? -27.28949 12.95436  9.16849   1.000 31.09988 ? 294 HOH B O   1 
HETATM 2484 O O   . HOH M 4 .  ? -15.70275 15.08537  7.92232   1.000 25.77692 ? 295 HOH B O   1 
HETATM 2485 O O   . HOH M 4 .  ? -16.860   22.673    14.506    1.000 42.09747 ? 296 HOH B O   1 
HETATM 2486 O O   . HOH M 4 .  ? -14.57336 18.93683  6.20094   1.000 37.97786 ? 297 HOH B O   1 
HETATM 2487 O O   . HOH M 4 .  ? -30.41311 -3.58338  12.15789  1.000 34.24783 ? 298 HOH B O   1 
HETATM 2488 O O   . HOH M 4 .  ? -9.82918  -10.69701 9.18279   1.000 27.79894 ? 299 HOH B O   1 
HETATM 2489 O O   . HOH M 4 .  ? -31.27959 0.14244   -3.67464  1.000 30.86640 ? 300 HOH B O   1 
HETATM 2490 O O   . HOH M 4 .  ? -13.86322 14.87792  11.92687  1.000 25.65167 ? 301 HOH B O   1 
HETATM 2491 O O   . HOH M 4 .  ? -29.75760 -8.91365  2.46950   1.000 37.98036 ? 302 HOH B O   1 
HETATM 2492 O O   . HOH M 4 .  ? -22.80836 -8.33290  -5.27559  1.000 24.77519 ? 303 HOH B O   1 
HETATM 2493 O O   . HOH M 4 .  ? -25.96695 -5.66429  -3.44863  1.000 23.28701 ? 304 HOH B O   1 
HETATM 2494 O O   . HOH M 4 .  ? -31.07492 -2.73945  -4.43525  1.000 41.16318 ? 305 HOH B O   1 
HETATM 2495 O O   . HOH M 4 .  ? -30.61606 14.73495  15.68676  1.000 41.39410 ? 306 HOH B O   1 
HETATM 2496 O O   . HOH M 4 .  ? -15.31348 18.97327  10.35416  1.000 32.70130 ? 307 HOH B O   1 
HETATM 2497 O O   . HOH M 4 .  ? -31.913   12.352    25.132    1.000 23.55238 ? 308 HOH B O   1 
HETATM 2498 O O   . HOH M 4 .  ? -20.20977 19.94017  11.82088  1.000 38.78918 ? 309 HOH B O   1 
HETATM 2499 O O   . HOH M 4 .  ? -27.13829 -3.28024  -6.66589  1.000 33.09055 ? 310 HOH B O   1 
HETATM 2500 O O   . HOH M 4 .  ? -30.784   13.739    18.880    1.000 36.98372 ? 311 HOH B O   1 
HETATM 2501 O O   . HOH N 4 .  ? 5.16338   -8.63221  13.02495  1.000 30.08803 ? 201 HOH C O   1 
HETATM 2502 O O   . HOH N 4 .  ? 5.73578   9.82538   -2.10341  1.000 19.99101 ? 202 HOH C O   1 
HETATM 2503 O O   . HOH N 4 .  ? -1.98176  -13.78710 4.91642   1.000 23.75697 ? 203 HOH C O   1 
HETATM 2504 O O   . HOH N 4 .  ? 7.12126   8.98985   0.77058   1.000 34.42437 ? 204 HOH C O   1 
HETATM 2505 O O   . HOH N 4 .  ? 8.44822   12.84883  -0.91749  1.000 37.58937 ? 205 HOH C O   1 
HETATM 2506 O O   . HOH N 4 .  ? -3.32996  -4.49078  7.09328   1.000 12.83166 ? 206 HOH C O   1 
HETATM 2507 O O   . HOH N 4 .  ? 5.92780   -1.74081  -6.64322  1.000 34.67835 ? 207 HOH C O   1 
HETATM 2508 O O   . HOH N 4 .  ? -5.78884  21.63178  4.91525   1.000 35.91520 ? 208 HOH C O   1 
HETATM 2509 O O   . HOH N 4 .  ? -14.53653 5.42990   -15.03418 1.000 21.50951 ? 209 HOH C O   1 
HETATM 2510 O O   . HOH N 4 .  ? 6.85700   -3.76625  8.93077   1.000 27.83346 ? 210 HOH C O   1 
HETATM 2511 O O   . HOH N 4 .  ? -12.14348 11.40765  -11.17396 1.000 13.53755 ? 211 HOH C O   1 
HETATM 2512 O O   . HOH N 4 .  ? -17.03503 16.82069  -9.77921  1.000 39.28868 ? 212 HOH C O   1 
HETATM 2513 O O   . HOH N 4 .  ? 1.52222   -7.53611  2.80347   1.000 19.13964 ? 213 HOH C O   1 
HETATM 2514 O O   . HOH N 4 .  ? 0.39638   -4.63142  12.35644  1.000 14.55605 ? 214 HOH C O   1 
HETATM 2515 O O   . HOH N 4 .  ? -3.79255  -0.12790  -8.59784  1.000 13.22254 ? 215 HOH C O   1 
HETATM 2516 O O   . HOH N 4 .  ? -7.71633  -1.28610  -14.33932 1.000 28.12428 ? 216 HOH C O   1 
HETATM 2517 O O   . HOH N 4 .  ? -8.93871  -2.40522  -7.22663  1.000 20.60602 ? 217 HOH C O   1 
HETATM 2518 O O   . HOH N 4 .  ? -8.46535  7.87930   8.51111   1.000 23.36951 ? 218 HOH C O   1 
HETATM 2519 O O   . HOH N 4 .  ? 10.27912  -0.25605  5.89299   1.000 20.03031 ? 219 HOH C O   1 
HETATM 2520 O O   . HOH N 4 .  ? -1.63470  10.20321  -11.68810 1.000 23.94366 ? 220 HOH C O   1 
HETATM 2521 O O   . HOH N 4 .  ? 6.17733   0.87923   -4.63521  1.000 32.85729 ? 221 HOH C O   1 
HETATM 2522 O O   . HOH N 4 .  ? 3.03486   -4.92166  0.92974   1.000 16.65539 ? 222 HOH C O   1 
HETATM 2523 O O   . HOH N 4 .  ? -6.61608  -6.33706  -5.97033  1.000 20.30994 ? 223 HOH C O   1 
HETATM 2524 O O   . HOH N 4 .  ? -10.16223 -0.86007  -5.20672  1.000 12.61175 ? 224 HOH C O   1 
HETATM 2525 O O   . HOH N 4 .  ? 10.04726  7.26030   9.08818   1.000 22.83643 ? 225 HOH C O   1 
HETATM 2526 O O   . HOH N 4 .  ? -3.079    25.459    0.108     1.000 35.08670 ? 226 HOH C O   1 
HETATM 2527 O O   . HOH N 4 .  ? 3.60968   -7.19569  4.67825   1.000 16.70125 ? 227 HOH C O   1 
HETATM 2528 O O   . HOH N 4 .  ? 8.83871   0.91009   13.50494  1.000 11.76953 ? 228 HOH C O   1 
HETATM 2529 O O   . HOH N 4 .  ? -8.30275  12.51566  4.49892   1.000 17.20842 ? 229 HOH C O   1 
HETATM 2530 O O   . HOH N 4 .  ? -15.62772 12.56032  -16.71256 1.000 35.54907 ? 230 HOH C O   1 
HETATM 2531 O O   . HOH N 4 .  ? -0.393    22.934    0.439     1.000 28.80146 ? 231 HOH C O   1 
HETATM 2532 O O   . HOH N 4 .  ? -6.07685  -12.16645 -0.50719  1.000 23.64830 ? 232 HOH C O   1 
HETATM 2533 O O   . HOH N 4 .  ? -17.39393 14.04418  -6.65588  1.000 20.42434 ? 233 HOH C O   1 
HETATM 2534 O O   . HOH N 4 .  ? -3.50891  6.66529   -12.04242 1.000 18.35290 ? 234 HOH C O   1 
HETATM 2535 O O   . HOH N 4 .  ? 4.12329   -6.39544  11.23098  1.000 24.64168 ? 235 HOH C O   1 
HETATM 2536 O O   . HOH N 4 .  ? -6.55760  12.31716  9.07469   1.000 20.28347 ? 236 HOH C O   1 
HETATM 2537 O O   . HOH N 4 .  ? -9.84197  5.17648   6.51484   1.000 32.52961 ? 237 HOH C O   1 
HETATM 2538 O O   . HOH N 4 .  ? -0.94330  -15.32316 1.42432   1.000 32.52216 ? 238 HOH C O   1 
HETATM 2539 O O   . HOH N 4 .  ? 10.64628  -2.43753  15.54498  1.000 30.06544 ? 239 HOH C O   1 
HETATM 2540 O O   . HOH N 4 .  ? -5.60189  4.14041   -14.82236 1.000 13.61097 ? 240 HOH C O   1 
HETATM 2541 O O   . HOH N 4 .  ? -2.77368  22.27464  7.03208   1.000 38.82026 ? 241 HOH C O   1 
HETATM 2542 O O   . HOH N 4 .  ? 1.01334   -11.33979 -3.80630  1.000 33.54375 ? 242 HOH C O   1 
HETATM 2543 O O   . HOH N 4 .  ? 2.68610   0.44342   -5.68885  1.000 24.57384 ? 243 HOH C O   1 
HETATM 2544 O O   . HOH N 4 .  ? 3.17544   18.25943  1.97359   1.000 32.09645 ? 244 HOH C O   1 
HETATM 2545 O O   . HOH N 4 .  ? 6.57545   -0.69213  6.93950   1.000 11.89838 ? 245 HOH C O   1 
HETATM 2546 O O   . HOH N 4 .  ? 8.39270   -3.84128  17.97466  1.000 32.58404 ? 246 HOH C O   1 
HETATM 2547 O O   . HOH N 4 .  ? 10.56862  -0.45854  9.29438   1.000 23.14174 ? 247 HOH C O   1 
HETATM 2548 O O   . HOH N 4 .  ? 0.62833   8.27079   -9.53259  1.000 17.90356 ? 248 HOH C O   1 
HETATM 2549 O O   . HOH N 4 .  ? -11.37642 17.13055  -2.74722  1.000 17.99028 ? 249 HOH C O   1 
HETATM 2550 O O   . HOH N 4 .  ? 7.70762   -4.76688  5.98824   1.000 27.39894 ? 250 HOH C O   1 
HETATM 2551 O O   . HOH N 4 .  ? 4.39150   -12.90334 8.61584   1.000 33.36295 ? 251 HOH C O   1 
HETATM 2552 O O   . HOH N 4 .  ? -9.34559  7.80060   6.27649   1.000 29.23186 ? 252 HOH C O   1 
HETATM 2553 O O   . HOH N 4 .  ? -8.16346  -9.31835  5.13708   1.000 21.51545 ? 253 HOH C O   1 
HETATM 2554 O O   . HOH N 4 .  ? -8.187    12.975    -11.769   1.000 40.50257 ? 254 HOH C O   1 
HETATM 2555 O O   . HOH N 4 .  ? 4.44232   4.79553   -6.98110  1.000 22.86482 ? 255 HOH C O   1 
HETATM 2556 O O   . HOH N 4 .  ? -10.45464 16.54637  3.99148   1.000 17.89696 ? 256 HOH C O   1 
HETATM 2557 O O   . HOH N 4 .  ? 0.26073   -11.33740 0.02903   1.000 22.79301 ? 257 HOH C O   1 
HETATM 2558 O O   . HOH N 4 .  ? -11.41055 2.28282   5.41890   1.000 14.93178 ? 258 HOH C O   1 
HETATM 2559 O O   . HOH N 4 .  ? -14.30114 2.88730   -14.53948 1.000 36.07102 ? 259 HOH C O   1 
HETATM 2560 O O   . HOH N 4 .  ? -6.68868  16.15053  6.88487   1.000 20.70054 ? 260 HOH C O   1 
HETATM 2561 O O   . HOH N 4 .  ? 6.50324   -5.39488  11.35261  1.000 26.62139 ? 261 HOH C O   1 
HETATM 2562 O O   . HOH N 4 .  ? -8.49755  3.19685   -15.21654 1.000 19.34245 ? 262 HOH C O   1 
HETATM 2563 O O   . HOH N 4 .  ? 6.39126   -5.26579  -2.25180  1.000 28.00743 ? 263 HOH C O   1 
HETATM 2564 O O   . HOH N 4 .  ? -11.15429 3.35606   -15.30640 1.000 36.07551 ? 264 HOH C O   1 
HETATM 2565 O O   . HOH N 4 .  ? -11.26886 9.71699   4.92289   1.000 21.53268 ? 265 HOH C O   1 
HETATM 2566 O O   . HOH N 4 .  ? -17.45841 17.53106  -7.41899  1.000 36.09751 ? 266 HOH C O   1 
HETATM 2567 O O   . HOH N 4 .  ? 10.22603  1.82326   -0.96224  1.000 26.62267 ? 267 HOH C O   1 
HETATM 2568 O O   . HOH N 4 .  ? 9.32521   8.02914   2.77987   1.000 32.59250 ? 268 HOH C O   1 
HETATM 2569 O O   . HOH N 4 .  ? -16.63371 5.81643   -13.20345 1.000 16.34111 ? 269 HOH C O   1 
HETATM 2570 O O   . HOH N 4 .  ? -13.12035 15.50652  3.68640   1.000 18.56662 ? 270 HOH C O   1 
HETATM 2571 O O   . HOH N 4 .  ? 2.88338   15.14240  7.50069   1.000 21.62497 ? 271 HOH C O   1 
HETATM 2572 O O   . HOH N 4 .  ? -10.80326 -1.28216  6.08880   1.000 25.94443 ? 272 HOH C O   1 
HETATM 2573 O O   . HOH N 4 .  ? 7.01717   -6.03639  2.20802   1.000 37.74628 ? 273 HOH C O   1 
HETATM 2574 O O   . HOH N 4 .  ? 10.189    6.361     4.377     1.000 26.89181 ? 274 HOH C O   1 
HETATM 2575 O O   . HOH N 4 .  ? -9.17235  1.43099   6.55535   1.000 15.32188 ? 275 HOH C O   1 
HETATM 2576 O O   . HOH N 4 .  ? -11.31991 19.97142  -2.09004  1.000 31.65069 ? 276 HOH C O   1 
HETATM 2577 O O   . HOH N 4 .  ? 10.475    10.277    6.579     1.000 29.57520 ? 277 HOH C O   1 
HETATM 2578 O O   . HOH N 4 .  ? -12.145   8.256     -15.133   1.000 29.98961 ? 278 HOH C O   1 
HETATM 2579 O O   . HOH N 4 .  ? 8.80646   1.22815   -3.46155  1.000 36.55114 ? 279 HOH C O   1 
HETATM 2580 O O   . HOH N 4 .  ? -9.28631  11.26944  6.65115   1.000 28.19324 ? 280 HOH C O   1 
HETATM 2581 O O   . HOH N 4 .  ? 5.69854   14.39927  3.85807   1.000 36.57498 ? 281 HOH C O   1 
HETATM 2582 O O   . HOH N 4 .  ? -12.63961 21.79265  -3.76530  1.000 43.29477 ? 282 HOH C O   1 
HETATM 2583 O O   . HOH N 4 .  ? -3.45858  -2.13208  -10.51926 1.000 20.43773 ? 283 HOH C O   1 
HETATM 2584 O O   . HOH N 4 .  ? 3.383     16.899    -0.898    1.000 36.06209 ? 284 HOH C O   1 
HETATM 2585 O O   . HOH N 4 .  ? 5.74954   15.75566  1.55896   1.000 40.32176 ? 285 HOH C O   1 
HETATM 2586 O O   . HOH N 4 .  ? 4.61593   16.19068  5.68186   1.000 37.83676 ? 286 HOH C O   1 
HETATM 2587 O O   . HOH N 4 .  ? -3.27322  -16.81582 1.62441   1.000 38.97867 ? 287 HOH C O   1 
HETATM 2588 O O   . HOH N 4 .  ? -3.602    25.332    2.663     1.000 36.12788 ? 288 HOH C O   1 
HETATM 2589 O O   . HOH N 4 .  ? 10.211    4.907     -4.751    1.000 25.64717 ? 289 HOH C O   1 
HETATM 2590 O O   . HOH N 4 .  ? -0.49596  23.07324  7.76994   1.000 37.05962 ? 290 HOH C O   1 
HETATM 2591 O O   . HOH N 4 .  ? 1.466     -3.076    -12.217   1.000 35.03884 ? 291 HOH C O   1 
HETATM 2592 O O   . HOH N 4 .  ? -5.40870  -7.48229  -8.29227  1.000 34.60891 ? 292 HOH C O   1 
HETATM 2593 O O   . HOH N 4 .  ? -4.756    27.381    -1.095    1.000 29.46227 ? 293 HOH C O   1 
HETATM 2594 O O   . HOH N 4 .  ? 6.23977   -7.18803  -4.55790  1.000 34.47771 ? 294 HOH C O   1 
HETATM 2595 O O   . HOH N 4 .  ? 5.45902   -6.46584  0.49385   1.000 31.32413 ? 295 HOH C O   1 
HETATM 2596 O O   . HOH N 4 .  ? -10.40113 19.11986  4.47134   1.000 33.43948 ? 296 HOH C O   1 
HETATM 2597 O O   . HOH N 4 .  ? -8.54571  15.06024  5.31460   1.000 23.90725 ? 297 HOH C O   1 
HETATM 2598 O O   . HOH N 4 .  ? 5.09848   -9.26058  3.84545   1.000 24.91993 ? 298 HOH C O   1 
HETATM 2599 O O   . HOH N 4 .  ? -7.34655  18.69581  7.17436   1.000 32.50775 ? 299 HOH C O   1 
HETATM 2600 O O   . HOH N 4 .  ? -8.09694  20.56456  5.90596   1.000 40.81239 ? 300 HOH C O   1 
# 
