data_9GR5
# 
_entry.id   9GR5 
# 
_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   9GR5         pdb_00009gr5 10.2210/pdb9gr5/pdb 
WWPDB D_1292141577 ?            ?                   
# 
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                        9GR5 
_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 
# 
loop_
_citation.abstract 
_citation.abstract_id_CAS 
_citation.book_id_ISBN 
_citation.book_publisher 
_citation.book_publisher_city 
_citation.book_title 
_citation.coordinate_linkage 
_citation.country 
_citation.database_id_Medline 
_citation.details 
_citation.id 
_citation.journal_abbrev 
_citation.journal_id_ASTM 
_citation.journal_id_CSD 
_citation.journal_id_ISSN 
_citation.journal_full 
_citation.journal_issue 
_citation.journal_volume 
_citation.language 
_citation.page_first 
_citation.page_last 
_citation.title 
_citation.year 
_citation.database_id_CSD 
_citation.pdbx_database_id_DOI 
_citation.pdbx_database_id_PubMed 
_citation.pdbx_database_id_patent 
_citation.unpublished_flag 
? ? ? ? ? ? ? US ? ? primary Biochemistry                                     BICHAW 0033 0006-2960 ? ? 64 ? 1092 1098 
'N-Terminal Protein Binding and Disorder-to-Order Transition by a Synthetic Receptor.'                       2025 ? 
10.1021/acs.biochem.4c00729 39977527 ? ? 
? ? ? ? ? ? ? DK ? ? 1       'Acta Crystallogr., Sect. D: Biol. Crystallogr.' ABCRE6 0766 0907-4449 ? ? 75 ? 861  877  
'Macromolecular structure determination using X-rays, neutrons and electrons: recent developments in Phenix' 2019 ? 
10.1107/S2059798319011471   31588918 ? ? 
# 
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  ?                   
1       'Liebschner, D.'    5  0000-0003-3921-3209 
1       'Afonine, P.V.'     6  0000-0002-5052-991X 
1       'Baker, M.L.'       7  ?                   
1       'Bunkoczi, G.'      8  ?                   
1       'Chen, V.B.'        9  0000-0003-2492-979X 
1       'Croll, T.I.'       10 ?                   
1       'Hintze, B.'        11 0000-0002-4871-2096 
1       'Hung, L.W.'        12 0000-0001-6690-8458 
1       'Jain, S.'          13 ?                   
1       'McCoy, A.J.'       14 ?                   
1       'Moriarty, N.W.'    15 0000-0001-8857-9464 
1       'Oeffner, R.D.'     16 0000-0003-3107-2202 
1       'Poon, B.K.'        17 0000-0001-9633-6067 
1       'Prisant, M.G.'     18 ?                   
1       'Read, R.J.'        19 0000-0001-8273-0047 
1       'Richardson, J.S.'  20 0000-0002-3311-2944 
1       'Richardson, D.C.'  21 ?                   
1       'Sammito, M.D.'     22 0000-0002-8346-9247 
1       'Sobolev, O.V.'     23 0000-0002-0623-3214 
1       'Stockwell, D.H.'   24 ?                   
1       'Terwilliger, T.C.' 25 0000-0001-6384-0320 
1       'Urzhumtsev, A.G.'  26 ?                   
1       'Videau, L.L.'      27 ?                   
1       'Williams, C.J.'    28 ?                   
1       'Adams, P.D.'       29 0000-0001-9333-8219 
# 
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' 10049.016 3   ? 'Met-2, Lys-1, Ala0, S1A' ? 
'Met-Lys-Ala-Ala N-terminal extension' 
2 non-polymer syn beta-D-fructopyranose 180.156   6   ? ?                         ? ?                                      
3 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   ? ?                         ? ?                                      
4 water       nat water 18.015    248 ? ?                         ? ?                                      
# 
_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       
;MKAASVQTAATSWGTVPSIRVYTANNGKITERCWDGKGWYTGAFNEPGDNVSVTSWLVGSAIHIRVYASTGTTTTEWCWD
GNGWTKGAYTATN
;
_entity_poly.pdbx_seq_one_letter_code_can   
;MKAASVQTAATSWGTVPSIRVYTANNGKITERCWDGKGWYTGAFNEPGDNVSVTSWLVGSAIHIRVYASTGTTTTEWCWD
GNGWTKGAYTATN
;
_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 beta-D-fructopyranose BDF 
3 
;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 
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  ALA n 
1 4  ALA n 
1 5  SER n 
1 6  VAL n 
1 7  GLN n 
1 8  THR n 
1 9  ALA n 
1 10 ALA n 
1 11 THR n 
1 12 SER n 
1 13 TRP n 
1 14 GLY n 
1 15 THR n 
1 16 VAL n 
1 17 PRO n 
1 18 SER n 
1 19 ILE n 
1 20 ARG n 
1 21 VAL n 
1 22 TYR n 
1 23 THR n 
1 24 ALA n 
1 25 ASN n 
1 26 ASN n 
1 27 GLY n 
1 28 LYS n 
1 29 ILE n 
1 30 THR n 
1 31 GLU n 
1 32 ARG n 
1 33 CYS n 
1 34 TRP n 
1 35 ASP n 
1 36 GLY n 
1 37 LYS n 
1 38 GLY n 
1 39 TRP n 
1 40 TYR n 
1 41 THR n 
1 42 GLY n 
1 43 ALA n 
1 44 PHE n 
1 45 ASN n 
1 46 GLU n 
1 47 PRO n 
1 48 GLY n 
1 49 ASP n 
1 50 ASN n 
1 51 VAL n 
1 52 SER n 
1 53 VAL n 
1 54 THR n 
1 55 SER n 
1 56 TRP n 
1 57 LEU n 
1 58 VAL n 
1 59 GLY n 
1 60 SER n 
1 61 ALA n 
1 62 ILE n 
1 63 HIS n 
1 64 ILE n 
1 65 ARG n 
1 66 VAL n 
1 67 TYR n 
1 68 ALA n 
1 69 SER n 
1 70 THR n 
1 71 GLY n 
1 72 THR n 
1 73 THR n 
1 74 THR n 
1 75 THR n 
1 76 GLU n 
1 77 TRP n 
1 78 CYS n 
1 79 TRP n 
1 80 ASP n 
1 81 GLY n 
1 82 ASN n 
1 83 GLY n 
1 84 TRP n 
1 85 THR n 
1 86 LYS n 
1 87 GLY n 
1 88 ALA n 
1 89 TYR n 
1 90 THR n 
1 91 ALA n 
1 92 THR n 
1 93 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                   93 
_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  -2 -2 MET MET A . n 
A 1 2  LYS 2  -1 -1 LYS LYS A . n 
A 1 3  ALA 3  0  0  ALA ALA A . n 
A 1 4  ALA 4  1  1  ALA ALA A . n 
A 1 5  SER 5  2  2  SER SER A . n 
A 1 6  VAL 6  3  3  VAL VAL A . n 
A 1 7  GLN 7  4  4  GLN GLN A . n 
A 1 8  THR 8  5  5  THR THR A . n 
A 1 9  ALA 9  6  6  ALA ALA A . n 
A 1 10 ALA 10 7  7  ALA ALA A . n 
A 1 11 THR 11 8  8  THR THR A . n 
A 1 12 SER 12 9  9  SER SER A . n 
A 1 13 TRP 13 10 10 TRP TRP A . n 
A 1 14 GLY 14 11 11 GLY GLY A . n 
A 1 15 THR 15 12 12 THR THR A . n 
A 1 16 VAL 16 13 13 VAL VAL A . n 
A 1 17 PRO 17 14 14 PRO PRO A . n 
A 1 18 SER 18 15 15 SER SER A . n 
A 1 19 ILE 19 16 16 ILE ILE A . n 
A 1 20 ARG 20 17 17 ARG ARG A . n 
A 1 21 VAL 21 18 18 VAL VAL A . n 
A 1 22 TYR 22 19 19 TYR TYR A . n 
A 1 23 THR 23 20 20 THR THR A . n 
A 1 24 ALA 24 21 21 ALA ALA A . n 
A 1 25 ASN 25 22 22 ASN ASN A . n 
A 1 26 ASN 26 23 23 ASN ASN A . n 
A 1 27 GLY 27 24 24 GLY GLY A . n 
A 1 28 LYS 28 25 25 LYS LYS A . n 
A 1 29 ILE 29 26 26 ILE ILE A . n 
A 1 30 THR 30 27 27 THR THR A . n 
A 1 31 GLU 31 28 28 GLU GLU A . n 
A 1 32 ARG 32 29 29 ARG ARG A . n 
A 1 33 CYS 33 30 30 CYS CYS A . n 
A 1 34 TRP 34 31 31 TRP TRP A . n 
A 1 35 ASP 35 32 32 ASP ASP A . n 
A 1 36 GLY 36 33 33 GLY GLY A . n 
A 1 37 LYS 37 34 34 LYS LYS A . n 
A 1 38 GLY 38 35 35 GLY GLY A . n 
A 1 39 TRP 39 36 36 TRP TRP A . n 
A 1 40 TYR 40 37 37 TYR TYR A . n 
A 1 41 THR 41 38 38 THR THR A . n 
A 1 42 GLY 42 39 39 GLY GLY A . n 
A 1 43 ALA 43 40 40 ALA ALA A . n 
A 1 44 PHE 44 41 41 PHE PHE A . n 
A 1 45 ASN 45 42 42 ASN ASN A . n 
A 1 46 GLU 46 43 43 GLU GLU A . n 
A 1 47 PRO 47 44 44 PRO PRO A . n 
A 1 48 GLY 48 45 45 GLY GLY A . n 
A 1 49 ASP 49 46 46 ASP ASP A . n 
A 1 50 ASN 50 47 47 ASN ASN A . n 
A 1 51 VAL 51 48 48 VAL VAL A . n 
A 1 52 SER 52 49 49 SER SER A . n 
A 1 53 VAL 53 50 50 VAL VAL A . n 
A 1 54 THR 54 51 51 THR THR A . n 
A 1 55 SER 55 52 52 SER SER A . n 
A 1 56 TRP 56 53 53 TRP TRP A . n 
A 1 57 LEU 57 54 54 LEU LEU A . n 
A 1 58 VAL 58 55 55 VAL VAL A . n 
A 1 59 GLY 59 56 56 GLY GLY A . n 
A 1 60 SER 60 57 57 SER SER A . n 
A 1 61 ALA 61 58 58 ALA ALA A . n 
A 1 62 ILE 62 59 59 ILE ILE A . n 
A 1 63 HIS 63 60 60 HIS HIS A . n 
A 1 64 ILE 64 61 61 ILE ILE A . n 
A 1 65 ARG 65 62 62 ARG ARG A . n 
A 1 66 VAL 66 63 63 VAL VAL A . n 
A 1 67 TYR 67 64 64 TYR TYR A . n 
A 1 68 ALA 68 65 65 ALA ALA A . n 
A 1 69 SER 69 66 66 SER SER A . n 
A 1 70 THR 70 67 67 THR THR A . n 
A 1 71 GLY 71 68 68 GLY GLY A . n 
A 1 72 THR 72 69 69 THR THR A . n 
A 1 73 THR 73 70 70 THR THR A . n 
A 1 74 THR 74 71 71 THR THR A . n 
A 1 75 THR 75 72 72 THR THR A . n 
A 1 76 GLU 76 73 73 GLU GLU A . n 
A 1 77 TRP 77 74 74 TRP TRP A . n 
A 1 78 CYS 78 75 75 CYS CYS A . n 
A 1 79 TRP 79 76 76 TRP TRP A . n 
A 1 80 ASP 80 77 77 ASP ASP A . n 
A 1 81 GLY 81 78 78 GLY GLY A . n 
A 1 82 ASN 82 79 79 ASN ASN A . n 
A 1 83 GLY 83 80 80 GLY GLY A . n 
A 1 84 TRP 84 81 81 TRP TRP A . n 
A 1 85 THR 85 82 82 THR THR A . n 
A 1 86 LYS 86 83 83 LYS LYS A . n 
A 1 87 GLY 87 84 84 GLY GLY A . n 
A 1 88 ALA 88 85 85 ALA ALA A . n 
A 1 89 TYR 89 86 86 TYR TYR A . n 
A 1 90 THR 90 87 87 THR THR A . n 
A 1 91 ALA 91 88 88 ALA ALA A . n 
A 1 92 THR 92 89 89 THR THR A . n 
A 1 93 ASN 93 90 90 ASN ASN A . n 
B 1 1  MET 1  -2 ?  ?   ?   B . n 
B 1 2  LYS 2  -1 ?  ?   ?   B . n 
B 1 3  ALA 3  0  ?  ?   ?   B . n 
B 1 4  ALA 4  1  1  ALA ALA B . n 
B 1 5  SER 5  2  2  SER SER B . n 
B 1 6  VAL 6  3  3  VAL VAL B . n 
B 1 7  GLN 7  4  4  GLN GLN B . n 
B 1 8  THR 8  5  5  THR THR B . n 
B 1 9  ALA 9  6  6  ALA ALA B . n 
B 1 10 ALA 10 7  7  ALA ALA B . n 
B 1 11 THR 11 8  8  THR THR B . n 
B 1 12 SER 12 9  9  SER SER B . n 
B 1 13 TRP 13 10 10 TRP TRP B . n 
B 1 14 GLY 14 11 11 GLY GLY B . n 
B 1 15 THR 15 12 12 THR THR B . n 
B 1 16 VAL 16 13 13 VAL VAL B . n 
B 1 17 PRO 17 14 14 PRO PRO B . n 
B 1 18 SER 18 15 15 SER SER B . n 
B 1 19 ILE 19 16 16 ILE ILE B . n 
B 1 20 ARG 20 17 17 ARG ARG B . n 
B 1 21 VAL 21 18 18 VAL VAL B . n 
B 1 22 TYR 22 19 19 TYR TYR B . n 
B 1 23 THR 23 20 20 THR THR B . n 
B 1 24 ALA 24 21 21 ALA ALA B . n 
B 1 25 ASN 25 22 22 ASN ASN B . n 
B 1 26 ASN 26 23 23 ASN ASN B . n 
B 1 27 GLY 27 24 24 GLY GLY B . n 
B 1 28 LYS 28 25 25 LYS LYS B . n 
B 1 29 ILE 29 26 26 ILE ILE B . n 
B 1 30 THR 30 27 27 THR THR B . n 
B 1 31 GLU 31 28 28 GLU GLU B . n 
B 1 32 ARG 32 29 29 ARG ARG B . n 
B 1 33 CYS 33 30 30 CYS CYS B . n 
B 1 34 TRP 34 31 31 TRP TRP B . n 
B 1 35 ASP 35 32 32 ASP ASP B . n 
B 1 36 GLY 36 33 33 GLY GLY B . n 
B 1 37 LYS 37 34 34 LYS LYS B . n 
B 1 38 GLY 38 35 35 GLY GLY B . n 
B 1 39 TRP 39 36 36 TRP TRP B . n 
B 1 40 TYR 40 37 37 TYR TYR B . n 
B 1 41 THR 41 38 38 THR THR B . n 
B 1 42 GLY 42 39 39 GLY GLY B . n 
B 1 43 ALA 43 40 40 ALA ALA B . n 
B 1 44 PHE 44 41 41 PHE PHE B . n 
B 1 45 ASN 45 42 42 ASN ASN B . n 
B 1 46 GLU 46 43 43 GLU GLU B . n 
B 1 47 PRO 47 44 44 PRO PRO B . n 
B 1 48 GLY 48 45 45 GLY GLY B . n 
B 1 49 ASP 49 46 46 ASP ASP B . n 
B 1 50 ASN 50 47 47 ASN ASN B . n 
B 1 51 VAL 51 48 48 VAL VAL B . n 
B 1 52 SER 52 49 49 SER SER B . n 
B 1 53 VAL 53 50 50 VAL VAL B . n 
B 1 54 THR 54 51 51 THR THR B . n 
B 1 55 SER 55 52 52 SER SER B . n 
B 1 56 TRP 56 53 53 TRP TRP B . n 
B 1 57 LEU 57 54 54 LEU LEU B . n 
B 1 58 VAL 58 55 55 VAL VAL B . n 
B 1 59 GLY 59 56 56 GLY GLY B . n 
B 1 60 SER 60 57 57 SER SER B . n 
B 1 61 ALA 61 58 58 ALA ALA B . n 
B 1 62 ILE 62 59 59 ILE ILE B . n 
B 1 63 HIS 63 60 60 HIS HIS B . n 
B 1 64 ILE 64 61 61 ILE ILE B . n 
B 1 65 ARG 65 62 62 ARG ARG B . n 
B 1 66 VAL 66 63 63 VAL VAL B . n 
B 1 67 TYR 67 64 64 TYR TYR B . n 
B 1 68 ALA 68 65 65 ALA ALA B . n 
B 1 69 SER 69 66 66 SER SER B . n 
B 1 70 THR 70 67 67 THR THR B . n 
B 1 71 GLY 71 68 68 GLY GLY B . n 
B 1 72 THR 72 69 69 THR THR B . n 
B 1 73 THR 73 70 70 THR THR B . n 
B 1 74 THR 74 71 71 THR THR B . n 
B 1 75 THR 75 72 72 THR THR B . n 
B 1 76 GLU 76 73 73 GLU GLU B . n 
B 1 77 TRP 77 74 74 TRP TRP B . n 
B 1 78 CYS 78 75 75 CYS CYS B . n 
B 1 79 TRP 79 76 76 TRP TRP B . n 
B 1 80 ASP 80 77 77 ASP ASP B . n 
B 1 81 GLY 81 78 78 GLY GLY B . n 
B 1 82 ASN 82 79 79 ASN ASN B . n 
B 1 83 GLY 83 80 80 GLY GLY B . n 
B 1 84 TRP 84 81 81 TRP TRP B . n 
B 1 85 THR 85 82 82 THR THR B . n 
B 1 86 LYS 86 83 83 LYS LYS B . n 
B 1 87 GLY 87 84 84 GLY GLY B . n 
B 1 88 ALA 88 85 85 ALA ALA B . n 
B 1 89 TYR 89 86 86 TYR TYR B . n 
B 1 90 THR 90 87 87 THR THR B . n 
B 1 91 ALA 91 88 88 ALA ALA B . n 
B 1 92 THR 92 89 89 THR THR B . n 
B 1 93 ASN 93 90 90 ASN ASN B . n 
C 1 1  MET 1  -2 -2 MET MET C . n 
C 1 2  LYS 2  -1 -1 LYS LYS C . n 
C 1 3  ALA 3  0  0  ALA ALA C . n 
C 1 4  ALA 4  1  1  ALA ALA C . n 
C 1 5  SER 5  2  2  SER SER C . n 
C 1 6  VAL 6  3  3  VAL VAL C . n 
C 1 7  GLN 7  4  4  GLN GLN C . n 
C 1 8  THR 8  5  5  THR THR C . n 
C 1 9  ALA 9  6  6  ALA ALA C . n 
C 1 10 ALA 10 7  7  ALA ALA C . n 
C 1 11 THR 11 8  8  THR THR C . n 
C 1 12 SER 12 9  9  SER SER C . n 
C 1 13 TRP 13 10 10 TRP TRP C . n 
C 1 14 GLY 14 11 11 GLY GLY C . n 
C 1 15 THR 15 12 12 THR THR C . n 
C 1 16 VAL 16 13 13 VAL VAL C . n 
C 1 17 PRO 17 14 14 PRO PRO C . n 
C 1 18 SER 18 15 15 SER SER C . n 
C 1 19 ILE 19 16 16 ILE ILE C . n 
C 1 20 ARG 20 17 17 ARG ARG C . n 
C 1 21 VAL 21 18 18 VAL VAL C . n 
C 1 22 TYR 22 19 19 TYR TYR C . n 
C 1 23 THR 23 20 20 THR THR C . n 
C 1 24 ALA 24 21 21 ALA ALA C . n 
C 1 25 ASN 25 22 22 ASN ASN C . n 
C 1 26 ASN 26 23 23 ASN ASN C . n 
C 1 27 GLY 27 24 24 GLY GLY C . n 
C 1 28 LYS 28 25 25 LYS LYS C . n 
C 1 29 ILE 29 26 26 ILE ILE C . n 
C 1 30 THR 30 27 27 THR THR C . n 
C 1 31 GLU 31 28 28 GLU GLU C . n 
C 1 32 ARG 32 29 29 ARG ARG C . n 
C 1 33 CYS 33 30 30 CYS CYS C . n 
C 1 34 TRP 34 31 31 TRP TRP C . n 
C 1 35 ASP 35 32 32 ASP ASP C . n 
C 1 36 GLY 36 33 33 GLY GLY C . n 
C 1 37 LYS 37 34 34 LYS LYS C . n 
C 1 38 GLY 38 35 35 GLY GLY C . n 
C 1 39 TRP 39 36 36 TRP TRP C . n 
C 1 40 TYR 40 37 37 TYR TYR C . n 
C 1 41 THR 41 38 38 THR THR C . n 
C 1 42 GLY 42 39 39 GLY GLY C . n 
C 1 43 ALA 43 40 40 ALA ALA C . n 
C 1 44 PHE 44 41 41 PHE PHE C . n 
C 1 45 ASN 45 42 42 ASN ASN C . n 
C 1 46 GLU 46 43 43 GLU GLU C . n 
C 1 47 PRO 47 44 44 PRO PRO C . n 
C 1 48 GLY 48 45 45 GLY GLY C . n 
C 1 49 ASP 49 46 46 ASP ASP C . n 
C 1 50 ASN 50 47 47 ASN ASN C . n 
C 1 51 VAL 51 48 48 VAL VAL C . n 
C 1 52 SER 52 49 49 SER SER C . n 
C 1 53 VAL 53 50 50 VAL VAL C . n 
C 1 54 THR 54 51 51 THR THR C . n 
C 1 55 SER 55 52 52 SER SER C . n 
C 1 56 TRP 56 53 53 TRP TRP C . n 
C 1 57 LEU 57 54 54 LEU LEU C . n 
C 1 58 VAL 58 55 55 VAL VAL C . n 
C 1 59 GLY 59 56 56 GLY GLY C . n 
C 1 60 SER 60 57 57 SER SER C . n 
C 1 61 ALA 61 58 58 ALA ALA C . n 
C 1 62 ILE 62 59 59 ILE ILE C . n 
C 1 63 HIS 63 60 60 HIS HIS C . n 
C 1 64 ILE 64 61 61 ILE ILE C . n 
C 1 65 ARG 65 62 62 ARG ARG C . n 
C 1 66 VAL 66 63 63 VAL VAL C . n 
C 1 67 TYR 67 64 64 TYR TYR C . n 
C 1 68 ALA 68 65 65 ALA ALA C . n 
C 1 69 SER 69 66 66 SER SER C . n 
C 1 70 THR 70 67 67 THR THR C . n 
C 1 71 GLY 71 68 68 GLY GLY C . n 
C 1 72 THR 72 69 69 THR THR C . n 
C 1 73 THR 73 70 70 THR THR C . n 
C 1 74 THR 74 71 71 THR THR C . n 
C 1 75 THR 75 72 72 THR THR C . n 
C 1 76 GLU 76 73 73 GLU GLU C . n 
C 1 77 TRP 77 74 74 TRP TRP C . n 
C 1 78 CYS 78 75 75 CYS CYS C . n 
C 1 79 TRP 79 76 76 TRP TRP C . n 
C 1 80 ASP 80 77 77 ASP ASP C . n 
C 1 81 GLY 81 78 78 GLY GLY C . n 
C 1 82 ASN 82 79 79 ASN ASN C . n 
C 1 83 GLY 83 80 80 GLY GLY C . n 
C 1 84 TRP 84 81 81 TRP TRP C . n 
C 1 85 THR 85 82 82 THR THR C . n 
C 1 86 LYS 86 83 83 LYS LYS C . n 
C 1 87 GLY 87 84 84 GLY GLY C . n 
C 1 88 ALA 88 85 85 ALA ALA C . n 
C 1 89 TYR 89 86 86 TYR TYR C . n 
C 1 90 THR 90 87 87 THR THR C . n 
C 1 91 ALA 91 88 88 ALA ALA C . n 
C 1 92 THR 92 89 89 THR THR C . n 
C 1 93 ASN 93 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 BDF 1  101 101 BDF BDF A . 
E 2 BDF 1  102 201 BDF BDF A . 
F 3 T3Y 1  103 301 T3Y T3Y A . 
G 2 BDF 1  101 101 BDF BDF B . 
H 2 BDF 1  102 201 BDF BDF B . 
I 3 T3Y 1  301 301 T3Y T3Y C . 
J 2 BDF 1  302 101 BDF BDF C . 
K 2 BDF 1  303 201 BDF BDF C . 
L 4 HOH 1  201 120 HOH HOH A . 
L 4 HOH 2  202 134 HOH HOH A . 
L 4 HOH 3  203 250 HOH HOH A . 
L 4 HOH 4  204 228 HOH HOH A . 
L 4 HOH 5  205 53  HOH HOH A . 
L 4 HOH 6  206 52  HOH HOH A . 
L 4 HOH 7  207 186 HOH HOH A . 
L 4 HOH 8  208 248 HOH HOH A . 
L 4 HOH 9  209 94  HOH HOH A . 
L 4 HOH 10 210 21  HOH HOH A . 
L 4 HOH 11 211 231 HOH HOH A . 
L 4 HOH 12 212 46  HOH HOH A . 
L 4 HOH 13 213 191 HOH HOH A . 
L 4 HOH 14 214 87  HOH HOH A . 
L 4 HOH 15 215 92  HOH HOH A . 
L 4 HOH 16 216 19  HOH HOH A . 
L 4 HOH 17 217 67  HOH HOH A . 
L 4 HOH 18 218 11  HOH HOH A . 
L 4 HOH 19 219 119 HOH HOH A . 
L 4 HOH 20 220 170 HOH HOH A . 
L 4 HOH 21 221 129 HOH HOH A . 
L 4 HOH 22 222 1   HOH HOH A . 
L 4 HOH 23 223 55  HOH HOH A . 
L 4 HOH 24 224 50  HOH HOH A . 
L 4 HOH 25 225 130 HOH HOH A . 
L 4 HOH 26 226 71  HOH HOH A . 
L 4 HOH 27 227 68  HOH HOH A . 
L 4 HOH 28 228 48  HOH HOH A . 
L 4 HOH 29 229 101 HOH HOH A . 
L 4 HOH 30 230 66  HOH HOH A . 
L 4 HOH 31 231 40  HOH HOH A . 
L 4 HOH 32 232 133 HOH HOH A . 
L 4 HOH 33 233 261 HOH HOH A . 
L 4 HOH 34 234 118 HOH HOH A . 
L 4 HOH 35 235 187 HOH HOH A . 
L 4 HOH 36 236 166 HOH HOH A . 
L 4 HOH 37 237 241 HOH HOH A . 
L 4 HOH 38 238 61  HOH HOH A . 
L 4 HOH 39 239 102 HOH HOH A . 
L 4 HOH 40 240 96  HOH HOH A . 
L 4 HOH 41 241 205 HOH HOH A . 
L 4 HOH 42 242 59  HOH HOH A . 
L 4 HOH 43 243 143 HOH HOH A . 
L 4 HOH 44 244 195 HOH HOH A . 
L 4 HOH 45 245 218 HOH HOH A . 
L 4 HOH 46 246 47  HOH HOH A . 
L 4 HOH 47 247 81  HOH HOH A . 
L 4 HOH 48 248 197 HOH HOH A . 
L 4 HOH 49 249 243 HOH HOH A . 
L 4 HOH 50 250 117 HOH HOH A . 
L 4 HOH 51 251 16  HOH HOH A . 
L 4 HOH 52 252 100 HOH HOH A . 
L 4 HOH 53 253 179 HOH HOH A . 
L 4 HOH 54 254 216 HOH HOH A . 
L 4 HOH 55 255 62  HOH HOH A . 
L 4 HOH 56 256 41  HOH HOH A . 
L 4 HOH 57 257 112 HOH HOH A . 
L 4 HOH 58 258 153 HOH HOH A . 
L 4 HOH 59 259 98  HOH HOH A . 
L 4 HOH 60 260 15  HOH HOH A . 
L 4 HOH 61 261 172 HOH HOH A . 
L 4 HOH 62 262 151 HOH HOH A . 
L 4 HOH 63 263 167 HOH HOH A . 
L 4 HOH 64 264 194 HOH HOH A . 
L 4 HOH 65 265 193 HOH HOH A . 
L 4 HOH 66 266 115 HOH HOH A . 
L 4 HOH 67 267 35  HOH HOH A . 
L 4 HOH 68 268 203 HOH HOH A . 
L 4 HOH 69 269 192 HOH HOH A . 
L 4 HOH 70 270 105 HOH HOH A . 
L 4 HOH 71 271 174 HOH HOH A . 
L 4 HOH 72 272 225 HOH HOH A . 
L 4 HOH 73 273 268 HOH HOH A . 
L 4 HOH 74 274 212 HOH HOH A . 
L 4 HOH 75 275 204 HOH HOH A . 
L 4 HOH 76 276 214 HOH HOH A . 
L 4 HOH 77 277 196 HOH HOH A . 
L 4 HOH 78 278 140 HOH HOH A . 
L 4 HOH 79 279 255 HOH HOH A . 
L 4 HOH 80 280 99  HOH HOH A . 
L 4 HOH 81 281 58  HOH HOH A . 
L 4 HOH 82 282 207 HOH HOH A . 
L 4 HOH 83 283 202 HOH HOH A . 
L 4 HOH 84 284 242 HOH HOH A . 
L 4 HOH 85 285 114 HOH HOH A . 
L 4 HOH 86 286 182 HOH HOH A . 
L 4 HOH 87 287 181 HOH HOH A . 
M 4 HOH 1  201 56  HOH HOH B . 
M 4 HOH 2  202 152 HOH HOH B . 
M 4 HOH 3  203 74  HOH HOH B . 
M 4 HOH 4  204 39  HOH HOH B . 
M 4 HOH 5  205 17  HOH HOH B . 
M 4 HOH 6  206 60  HOH HOH B . 
M 4 HOH 7  207 90  HOH HOH B . 
M 4 HOH 8  208 38  HOH HOH B . 
M 4 HOH 9  209 31  HOH HOH B . 
M 4 HOH 10 210 131 HOH HOH B . 
M 4 HOH 11 211 127 HOH HOH B . 
M 4 HOH 12 212 22  HOH HOH B . 
M 4 HOH 13 213 77  HOH HOH B . 
M 4 HOH 14 214 149 HOH HOH B . 
M 4 HOH 15 215 266 HOH HOH B . 
M 4 HOH 16 216 44  HOH HOH B . 
M 4 HOH 17 217 169 HOH HOH B . 
M 4 HOH 18 218 5   HOH HOH B . 
M 4 HOH 19 219 209 HOH HOH B . 
M 4 HOH 20 220 126 HOH HOH B . 
M 4 HOH 21 221 34  HOH HOH B . 
M 4 HOH 22 222 111 HOH HOH B . 
M 4 HOH 23 223 137 HOH HOH B . 
M 4 HOH 24 224 180 HOH HOH B . 
M 4 HOH 25 225 156 HOH HOH B . 
M 4 HOH 26 226 54  HOH HOH B . 
M 4 HOH 27 227 24  HOH HOH B . 
M 4 HOH 28 228 132 HOH HOH B . 
M 4 HOH 29 229 36  HOH HOH B . 
M 4 HOH 30 230 178 HOH HOH B . 
M 4 HOH 31 231 224 HOH HOH B . 
M 4 HOH 32 232 20  HOH HOH B . 
M 4 HOH 33 233 144 HOH HOH B . 
M 4 HOH 34 234 116 HOH HOH B . 
M 4 HOH 35 235 245 HOH HOH B . 
M 4 HOH 36 236 154 HOH HOH B . 
M 4 HOH 37 237 135 HOH HOH B . 
M 4 HOH 38 238 220 HOH HOH B . 
M 4 HOH 39 239 183 HOH HOH B . 
M 4 HOH 40 240 107 HOH HOH B . 
M 4 HOH 41 241 18  HOH HOH B . 
M 4 HOH 42 242 258 HOH HOH B . 
M 4 HOH 43 243 91  HOH HOH B . 
M 4 HOH 44 244 80  HOH HOH B . 
M 4 HOH 45 245 113 HOH HOH B . 
M 4 HOH 46 246 240 HOH HOH B . 
M 4 HOH 47 247 185 HOH HOH B . 
M 4 HOH 48 248 45  HOH HOH B . 
M 4 HOH 49 249 75  HOH HOH B . 
M 4 HOH 50 250 210 HOH HOH B . 
M 4 HOH 51 251 64  HOH HOH B . 
M 4 HOH 52 252 106 HOH HOH B . 
M 4 HOH 53 253 26  HOH HOH B . 
M 4 HOH 54 254 79  HOH HOH B . 
M 4 HOH 55 255 72  HOH HOH B . 
M 4 HOH 56 256 161 HOH HOH B . 
M 4 HOH 57 257 168 HOH HOH B . 
M 4 HOH 58 258 13  HOH HOH B . 
M 4 HOH 59 259 97  HOH HOH B . 
M 4 HOH 60 260 198 HOH HOH B . 
M 4 HOH 61 261 265 HOH HOH B . 
M 4 HOH 62 262 229 HOH HOH B . 
M 4 HOH 63 263 234 HOH HOH B . 
M 4 HOH 64 264 150 HOH HOH B . 
M 4 HOH 65 265 260 HOH HOH B . 
M 4 HOH 66 266 158 HOH HOH B . 
M 4 HOH 67 267 226 HOH HOH B . 
M 4 HOH 68 268 206 HOH HOH B . 
M 4 HOH 69 269 175 HOH HOH B . 
M 4 HOH 70 270 176 HOH HOH B . 
M 4 HOH 71 271 257 HOH HOH B . 
M 4 HOH 72 272 227 HOH HOH B . 
M 4 HOH 73 273 108 HOH HOH B . 
N 4 HOH 1  401 146 HOH HOH C . 
N 4 HOH 2  402 213 HOH HOH C . 
N 4 HOH 3  403 177 HOH HOH C . 
N 4 HOH 4  404 83  HOH HOH C . 
N 4 HOH 5  405 49  HOH HOH C . 
N 4 HOH 6  406 189 HOH HOH C . 
N 4 HOH 7  407 88  HOH HOH C . 
N 4 HOH 8  408 70  HOH HOH C . 
N 4 HOH 9  409 14  HOH HOH C . 
N 4 HOH 10 410 33  HOH HOH C . 
N 4 HOH 11 411 2   HOH HOH C . 
N 4 HOH 12 412 3   HOH HOH C . 
N 4 HOH 13 413 51  HOH HOH C . 
N 4 HOH 14 414 222 HOH HOH C . 
N 4 HOH 15 415 208 HOH HOH C . 
N 4 HOH 16 416 76  HOH HOH C . 
N 4 HOH 17 417 42  HOH HOH C . 
N 4 HOH 18 418 199 HOH HOH C . 
N 4 HOH 19 419 6   HOH HOH C . 
N 4 HOH 20 420 9   HOH HOH C . 
N 4 HOH 21 421 30  HOH HOH C . 
N 4 HOH 22 422 10  HOH HOH C . 
N 4 HOH 23 423 85  HOH HOH C . 
N 4 HOH 24 424 104 HOH HOH C . 
N 4 HOH 25 425 162 HOH HOH C . 
N 4 HOH 26 426 109 HOH HOH C . 
N 4 HOH 27 427 230 HOH HOH C . 
N 4 HOH 28 428 12  HOH HOH C . 
N 4 HOH 29 429 95  HOH HOH C . 
N 4 HOH 30 430 128 HOH HOH C . 
N 4 HOH 31 431 121 HOH HOH C . 
N 4 HOH 32 432 4   HOH HOH C . 
N 4 HOH 33 433 201 HOH HOH C . 
N 4 HOH 34 434 43  HOH HOH C . 
N 4 HOH 35 435 28  HOH HOH C . 
N 4 HOH 36 436 125 HOH HOH C . 
N 4 HOH 37 437 84  HOH HOH C . 
N 4 HOH 38 438 159 HOH HOH C . 
N 4 HOH 39 439 57  HOH HOH C . 
N 4 HOH 40 440 145 HOH HOH C . 
N 4 HOH 41 441 29  HOH HOH C . 
N 4 HOH 42 442 139 HOH HOH C . 
N 4 HOH 43 443 78  HOH HOH C . 
N 4 HOH 44 444 122 HOH HOH C . 
N 4 HOH 45 445 164 HOH HOH C . 
N 4 HOH 46 446 215 HOH HOH C . 
N 4 HOH 47 447 163 HOH HOH C . 
N 4 HOH 48 448 23  HOH HOH C . 
N 4 HOH 49 449 256 HOH HOH C . 
N 4 HOH 50 450 7   HOH HOH C . 
N 4 HOH 51 451 69  HOH HOH C . 
N 4 HOH 52 452 142 HOH HOH C . 
N 4 HOH 53 453 32  HOH HOH C . 
N 4 HOH 54 454 65  HOH HOH C . 
N 4 HOH 55 455 63  HOH HOH C . 
N 4 HOH 56 456 103 HOH HOH C . 
N 4 HOH 57 457 27  HOH HOH C . 
N 4 HOH 58 458 148 HOH HOH C . 
N 4 HOH 59 459 8   HOH HOH C . 
N 4 HOH 60 460 237 HOH HOH C . 
N 4 HOH 61 461 147 HOH HOH C . 
N 4 HOH 62 462 136 HOH HOH C . 
N 4 HOH 63 463 171 HOH HOH C . 
N 4 HOH 64 464 89  HOH HOH C . 
N 4 HOH 65 465 157 HOH HOH C . 
N 4 HOH 66 466 82  HOH HOH C . 
N 4 HOH 67 467 263 HOH HOH C . 
N 4 HOH 68 468 219 HOH HOH C . 
N 4 HOH 69 469 267 HOH HOH C . 
N 4 HOH 70 470 252 HOH HOH C . 
N 4 HOH 71 471 123 HOH HOH C . 
N 4 HOH 72 472 221 HOH HOH C . 
N 4 HOH 73 473 262 HOH HOH C . 
N 4 HOH 74 474 188 HOH HOH C . 
N 4 HOH 75 475 165 HOH HOH C . 
N 4 HOH 76 476 160 HOH HOH C . 
N 4 HOH 77 477 86  HOH HOH C . 
N 4 HOH 78 478 244 HOH HOH C . 
N 4 HOH 79 479 73  HOH HOH C . 
N 4 HOH 80 480 25  HOH HOH C . 
N 4 HOH 81 481 37  HOH HOH C . 
N 4 HOH 82 482 246 HOH HOH C . 
N 4 HOH 83 483 138 HOH HOH C . 
N 4 HOH 84 484 190 HOH HOH C . 
N 4 HOH 85 485 124 HOH HOH C . 
N 4 HOH 86 486 200 HOH HOH C . 
N 4 HOH 87 487 173 HOH HOH C . 
N 4 HOH 88 488 254 HOH HOH C . 
# 
loop_
_pdbx_unobs_or_zero_occ_atoms.id 
_pdbx_unobs_or_zero_occ_atoms.PDB_model_num 
_pdbx_unobs_or_zero_occ_atoms.polymer_flag 
_pdbx_unobs_or_zero_occ_atoms.occupancy_flag 
_pdbx_unobs_or_zero_occ_atoms.auth_asym_id 
_pdbx_unobs_or_zero_occ_atoms.auth_comp_id 
_pdbx_unobs_or_zero_occ_atoms.auth_seq_id 
_pdbx_unobs_or_zero_occ_atoms.PDB_ins_code 
_pdbx_unobs_or_zero_occ_atoms.auth_atom_id 
_pdbx_unobs_or_zero_occ_atoms.label_alt_id 
_pdbx_unobs_or_zero_occ_atoms.label_asym_id 
_pdbx_unobs_or_zero_occ_atoms.label_comp_id 
_pdbx_unobs_or_zero_occ_atoms.label_seq_id 
_pdbx_unobs_or_zero_occ_atoms.label_atom_id 
1 1 Y 0 B THR 89 ? C  ? B THR 92 C  
2 1 Y 0 B THR 89 ? O  ? B THR 92 O  
3 1 Y 0 C MET -2 ? N  ? C MET 1  N  
4 1 Y 0 C MET -2 ? CA ? C MET 1  CA 
5 1 Y 0 C MET -2 ? CB ? C MET 1  CB 
6 1 Y 0 C MET -2 ? CG ? C MET 1  CG 
7 1 Y 0 C MET -2 ? SD ? C MET 1  SD 
8 1 Y 0 C MET -2 ? CE ? C MET 1  CE 
# 
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                   119.264 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  90.000 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     9GR5 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     43.725 
_cell.length_a_esd                 ? 
_cell.length_b                     73.914 
_cell.length_b_esd                 ? 
_cell.length_c                     43.732 
_cell.length_c_esd                 ? 
_cell.volume                       123299.088 
_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                         9GR5 
_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                   9GR5 
_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             1.95 
_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, HANGING 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    '0.8 M di-ammonium hydrogen phosphate, 0.1 M 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         2022-11-11 
_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                          15.75 
_reflns.entry_id                                       9GR5 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.32 
_reflns.d_resolution_low                               38.15 
_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                                     54760 
_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                           96.6 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                7.0 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          11.5 
_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                                0.056 
_reflns.pdbx_Rpim_I_all                                ? 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       ? 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   0.999 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              0.051 
_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                                    1.32 
_reflns_shell.d_res_low                                     1.34 
_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                             2658 
_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                               ? 
_reflns_shell.pdbx_Rpim_I_all                               0.376 
_reflns_shell.pdbx_rejects                                  ? 
_reflns_shell.pdbx_ordinal                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  0.800 
_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                                  0.949 
_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                               25.38 
_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                                 9GR5 
_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                            1.32 
_refine.ls_d_res_low                             38.15 
_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                     54706 
_refine.ls_number_reflns_R_free                  2525 
_refine.ls_number_reflns_R_work                  52181 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    96.51 
_refine.ls_percent_reflns_R_free                 4.62 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.1990 
_refine.ls_R_factor_R_free                       0.2238 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.1978 
_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                          1.37 
_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                 28.6866 
_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                            0.1697 
_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                       1.32 
_refine_hist.d_res_low                        38.15 
_refine_hist.number_atoms_solvent             248 
_refine_hist.number_atoms_total               2518 
_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        2102 
_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' ? 0.0048  ? 2371 ? f_bond_d           ? ? 
'X-RAY DIFFRACTION' ? 0.7590  ? 3292 ? f_angle_d          ? ? 
'X-RAY DIFFRACTION' ? 0.0722  ? 351  ? f_chiral_restr     ? ? 
'X-RAY DIFFRACTION' ? 0.0060  ? 382  ? f_plane_restr      ? ? 
'X-RAY DIFFRACTION' ? 11.2742 ? 819  ? 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' 1.32 1.35  . . 121 2816 94.62 . . . . 0.3548 . . . . . . . . . . . 0.4010 
'X-RAY DIFFRACTION' 1.35 1.37  . . 78  2889 94.43 . . . . 0.3231 . . . . . . . . . . . 0.2872 
'X-RAY DIFFRACTION' 1.37 1.40  . . 139 2847 94.91 . . . . 0.2907 . . . . . . . . . . . 0.3079 
'X-RAY DIFFRACTION' 1.40 1.44  . . 194 2785 94.96 . . . . 0.2765 . . . . . . . . . . . 0.3142 
'X-RAY DIFFRACTION' 1.44 1.47  . . 167 2831 95.42 . . . . 0.2671 . . . . . . . . . . . 0.3040 
'X-RAY DIFFRACTION' 1.47 1.51  . . 159 2846 95.28 . . . . 0.2434 . . . . . . . . . . . 0.2662 
'X-RAY DIFFRACTION' 1.51 1.56  . . 173 2847 95.66 . . . . 0.2448 . . . . . . . . . . . 0.2407 
'X-RAY DIFFRACTION' 1.56 1.61  . . 177 2791 95.90 . . . . 0.2266 . . . . . . . . . . . 0.2498 
'X-RAY DIFFRACTION' 1.61 1.66  . . 118 2895 96.32 . . . . 0.2200 . . . . . . . . . . . 0.2617 
'X-RAY DIFFRACTION' 1.66 1.73  . . 124 2934 96.68 . . . . 0.2032 . . . . . . . . . . . 0.2750 
'X-RAY DIFFRACTION' 1.73 1.81  . . 123 2938 97.05 . . . . 0.2191 . . . . . . . . . . . 0.2718 
'X-RAY DIFFRACTION' 1.81 1.91  . . 146 2940 97.04 . . . . 0.2035 . . . . . . . . . . . 0.2608 
'X-RAY DIFFRACTION' 1.91 2.03  . . 119 2901 97.70 . . . . 0.2029 . . . . . . . . . . . 0.2235 
'X-RAY DIFFRACTION' 2.03 2.18  . . 131 2993 97.93 . . . . 0.2076 . . . . . . . . . . . 0.1957 
'X-RAY DIFFRACTION' 2.18 2.40  . . 111 2974 98.22 . . . . 0.1983 . . . . . . . . . . . 0.2208 
'X-RAY DIFFRACTION' 2.40 2.75  . . 165 2968 98.52 . . . . 0.1971 . . . . . . . . . . . 0.2287 
'X-RAY DIFFRACTION' 2.75 3.46  . . 125 2991 98.95 . . . . 0.1775 . . . . . . . . . . . 0.1943 
'X-RAY DIFFRACTION' 3.46 38.15 . . 155 2995 97.58 . . . . 0.1598 . . . . . . . . . . . 0.1852 
# 
_struct.entry_id                     9GR5 
_struct.title                        'The MKAA-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        9GR5 
_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 2 ? 
F N N 3 ? 
G N N 2 ? 
H N N 2 ? 
I N N 3 ? 
J N N 2 ? 
K N N 2 ? 
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   
;SSVQTAATSWGTVPSIRVYTANNGKITERCWDGKGWYTGAFNEPGDNVSVTSWLVGSAIHIRVYASTGTTTTEWCWDGNG
WTKGAYTATN
;
_struct_ref.pdbx_align_begin           2 
# 
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 9GR5 A 4 ? 93 ? A0A0S4TLR1 2 ? 91 ? 1 90 
2 1 9GR5 B 4 ? 93 ? A0A0S4TLR1 2 ? 91 ? 1 90 
3 1 9GR5 C 4 ? 93 ? A0A0S4TLR1 2 ? 91 ? 1 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 9GR5 MET A 1 ? UNP A0A0S4TLR1 ?   ? 'initiating methionine' -2 1  
1 9GR5 LYS A 2 ? UNP A0A0S4TLR1 ?   ? 'expression tag'        -1 2  
1 9GR5 ALA A 3 ? UNP A0A0S4TLR1 ?   ? 'expression tag'        0  3  
1 9GR5 ALA A 4 ? UNP A0A0S4TLR1 SER 2 'engineered mutation'   1  4  
2 9GR5 MET B 1 ? UNP A0A0S4TLR1 ?   ? 'initiating methionine' -2 5  
2 9GR5 LYS B 2 ? UNP A0A0S4TLR1 ?   ? 'expression tag'        -1 6  
2 9GR5 ALA B 3 ? UNP A0A0S4TLR1 ?   ? 'expression tag'        0  7  
2 9GR5 ALA B 4 ? UNP A0A0S4TLR1 SER 2 'engineered mutation'   1  8  
3 9GR5 MET C 1 ? UNP A0A0S4TLR1 ?   ? 'initiating methionine' -2 9  
3 9GR5 LYS C 2 ? UNP A0A0S4TLR1 ?   ? 'expression tag'        -1 10 
3 9GR5 ALA C 3 ? UNP A0A0S4TLR1 ?   ? 'expression tag'        0  11 
3 9GR5 ALA C 4 ? UNP A0A0S4TLR1 SER 2 'engineered mutation'   1  12 
# 
_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)' 6960  ? 
1 MORE         -18   ? 
1 'SSA (A^2)'  12790 ? 
# 
_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 16 A . ? VAL 13 A PRO 17 A ? PRO 14 A 1 -7.49 
2 VAL 16 B . ? VAL 13 B PRO 17 B ? PRO 14 B 1 -7.70 
3 VAL 16 C . ? VAL 13 C PRO 17 C ? PRO 14 C 1 -8.74 
# 
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 7  ? TRP A 13 ? GLN A 4  TRP A 10 
AA1 2 SER A 18 ? ASN A 25 ? SER A 15 ASN A 22 
AA1 3 LYS A 28 ? TRP A 34 ? LYS A 25 TRP A 31 
AA1 4 TRP A 39 ? PRO A 47 ? TRP A 36 PRO A 44 
AA2 1 ASN A 50 ? VAL A 58 ? ASN A 47 VAL A 55 
AA2 2 ALA A 61 ? THR A 70 ? ALA A 58 THR A 67 
AA2 3 THR A 73 ? TRP A 79 ? THR A 70 TRP A 76 
AA2 4 TRP A 84 ? LYS A 86 ? TRP A 81 LYS A 83 
AA3 1 GLN B 7  ? TRP B 13 ? GLN B 4  TRP B 10 
AA3 2 SER B 18 ? ASN B 25 ? SER B 15 ASN B 22 
AA3 3 LYS B 28 ? TRP B 34 ? LYS B 25 TRP B 31 
AA3 4 TRP B 39 ? PRO B 47 ? TRP B 36 PRO B 44 
AA4 1 ASN B 50 ? VAL B 58 ? ASN B 47 VAL B 55 
AA4 2 ALA B 61 ? THR B 70 ? ALA B 58 THR B 67 
AA4 3 THR B 73 ? TRP B 79 ? THR B 70 TRP B 76 
AA4 4 TRP B 84 ? LYS B 86 ? TRP B 81 LYS B 83 
AA5 1 GLN C 7  ? TRP C 13 ? GLN C 4  TRP C 10 
AA5 2 SER C 18 ? ASN C 25 ? SER C 15 ASN C 22 
AA5 3 LYS C 28 ? TRP C 34 ? LYS C 25 TRP C 31 
AA5 4 TRP C 39 ? PRO C 47 ? TRP C 36 PRO C 44 
AA6 1 ASN C 50 ? VAL C 58 ? ASN C 47 VAL C 55 
AA6 2 ALA C 61 ? THR C 70 ? ALA C 58 THR C 67 
AA6 3 THR C 73 ? TRP C 79 ? THR C 70 TRP C 76 
AA6 4 TRP C 84 ? LYS C 86 ? 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 ALA A 9  ? N ALA A 6  O TYR A 22 ? O TYR A 19 
AA1 2 3 N ASN A 25 ? N ASN A 22 O LYS A 28 ? O LYS A 25 
AA1 3 4 N CYS A 33 ? N CYS A 30 O TYR A 40 ? O TYR A 37 
AA2 1 2 N THR A 54 ? N THR A 51 O ARG A 65 ? O ARG A 62 
AA2 2 3 N ALA A 68 ? N ALA A 65 O THR A 75 ? O THR A 72 
AA2 3 4 N CYS A 78 ? N CYS A 75 O THR A 85 ? O THR A 82 
AA3 1 2 N GLN B 7  ? N GLN B 4  O ALA B 24 ? O ALA B 21 
AA3 2 3 N ASN B 25 ? N ASN B 22 O LYS B 28 ? O LYS B 25 
AA3 3 4 N CYS B 33 ? N CYS B 30 O TYR B 40 ? O TYR B 37 
AA4 1 2 N THR B 54 ? N THR B 51 O ARG B 65 ? O ARG B 62 
AA4 2 3 N ALA B 68 ? N ALA B 65 O THR B 75 ? O THR B 72 
AA4 3 4 N CYS B 78 ? N CYS B 75 O THR B 85 ? O THR B 82 
AA5 1 2 N GLN C 7  ? N GLN C 4  O ALA C 24 ? O ALA C 21 
AA5 2 3 N ASN C 25 ? N ASN C 22 O LYS C 28 ? O LYS C 25 
AA5 3 4 N CYS C 33 ? N CYS C 30 O TYR C 40 ? O TYR C 37 
AA6 1 2 N THR C 54 ? N THR C 51 O ARG C 65 ? O ARG C 62 
AA6 2 3 N ALA C 68 ? N ALA C 65 O THR C 75 ? O THR C 72 
AA6 3 4 N CYS C 78 ? N CYS C 75 O THR C 85 ? O THR C 82 
# 
_pdbx_entry_details.entry_id                   9GR5 
_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 ASN A 79 ? ? -140.61 55.21 
2 1 LYS B 34 ? ? -142.28 30.82 
3 1 ASN B 79 ? ? -154.68 63.94 
4 1 LYS C 34 ? ? -140.58 38.19 
5 1 ASN C 79 ? ? -154.83 68.05 
# 
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 A MET -2 ? A MET 1  
2 1 Y 1 B MET -2 ? B MET 1  
3 1 Y 1 B LYS -1 ? B LYS 2  
4 1 Y 1 B ALA 0  ? B ALA 3  
5 1 Y 0 B ASN 90 ? B ASN 93 
6 1 Y 0 C THR 89 ? C THR 92 
7 1 Y 0 C ASN 90 ? C ASN 93 
# 
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                    9GR5 
_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]   0.022870 
_atom_sites.fract_transf_matrix[1][2]   0.000000 
_atom_sites.fract_transf_matrix[1][3]   0.012815 
_atom_sites.fract_transf_matrix[2][1]   0.000000 
_atom_sites.fract_transf_matrix[2][2]   0.013529 
_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]   0.026212 
_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  ? 16.06076  -21.45691 11.36946  0.000 47.02634  ? -2  MET A N   1 
ATOM   2    C CA  . MET A 1 1  ? 14.68589  -21.84501 11.07857  0.000 50.55134  ? -2  MET A CA  1 
ATOM   3    C C   . MET A 1 1  ? 14.34438  -21.58353 9.61539   0.000 51.92224  ? -2  MET A C   1 
ATOM   4    O O   . MET A 1 1  ? 15.21941  -21.24389 8.81917   0.000 55.16437  ? -2  MET A O   1 
ATOM   5    C CB  . MET A 1 1  ? 13.71526  -21.09402 11.99094  0.000 52.42949  ? -2  MET A CB  1 
ATOM   6    C CG  . MET A 1 1  ? 13.94589  -21.34425 13.47141  0.000 50.58157  ? -2  MET A CG  1 
ATOM   7    S SD  . MET A 1 1  ? 12.66760  -22.37355 14.21553  0.000 72.66551  ? -2  MET A SD  1 
ATOM   8    C CE  . MET A 1 1  ? 13.43264  -22.77281 15.78259  0.000 42.66186  ? -2  MET A CE  1 
ATOM   9    N N   . LYS A 1 2  ? 13.07171  -21.74763 9.26166   1.000 50.25560  ? -1  LYS A N   1 
ATOM   10   C CA  . LYS A 1 2  ? 12.58549  -21.44521 7.92204   1.000 57.42285  ? -1  LYS A CA  1 
ATOM   11   C C   . LYS A 1 2  ? 11.51063  -20.37163 8.01080   1.000 60.24912  ? -1  LYS A C   1 
ATOM   12   O O   . LYS A 1 2  ? 10.57439  -20.48871 8.80976   1.000 57.28140  ? -1  LYS A O   1 
ATOM   13   C CB  . LYS A 1 2  ? 12.02163  -22.69113 7.23017   1.000 46.70033  ? -1  LYS A CB  1 
ATOM   14   C CG  . LYS A 1 2  ? 11.59258  -22.43667 5.78714   1.000 45.21245  ? -1  LYS A CG  1 
ATOM   15   C CD  . LYS A 1 2  ? 10.93723  -23.65330 5.16079   1.000 34.69053  ? -1  LYS A CD  1 
ATOM   16   C CE  . LYS A 1 2  ? 10.54691  -23.38536 3.70899   1.000 35.26396  ? -1  LYS A CE  1 
ATOM   17   N NZ  . LYS A 1 2  ? 9.61609   -22.23059 3.57645   1.000 37.17071  ? -1  LYS A NZ  1 
ATOM   18   N N   . ALA A 1 3  ? 11.64775  -19.33134 7.18982   1.000 60.50215  ? 0   ALA A N   1 
ATOM   19   C CA  . ALA A 1 3  ? 10.68257  -18.23722 7.14075   1.000 68.24269  ? 0   ALA A CA  1 
ATOM   20   C C   . ALA A 1 3  ? 9.59694   -18.58336 6.13128   1.000 65.72155  ? 0   ALA A C   1 
ATOM   21   O O   . ALA A 1 3  ? 9.83783   -18.56314 4.91968   1.000 62.44496  ? 0   ALA A O   1 
ATOM   22   C CB  . ALA A 1 3  ? 11.36688  -16.93545 6.73685   1.000 64.82919  ? 0   ALA A CB  1 
ATOM   23   N N   . ALA A 1 4  ? 8.39760   -18.89032 6.62769   1.000 65.52003  ? 1   ALA A N   1 
ATOM   24   C CA  . ALA A 1 4  ? 7.26829   -19.11284 5.73065   1.000 65.04445  ? 1   ALA A CA  1 
ATOM   25   C C   . ALA A 1 4  ? 6.85009   -17.81458 5.04919   1.000 65.21872  ? 1   ALA A C   1 
ATOM   26   O O   . ALA A 1 4  ? 6.73241   -17.75564 3.81930   1.000 66.58597  ? 1   ALA A O   1 
ATOM   27   C CB  . ALA A 1 4  ? 6.09904   -19.72499 6.50185   1.000 59.76626  ? 1   ALA A CB  1 
ATOM   28   N N   . SER A 1 5  ? 6.62056   -16.76327 5.83509   1.000 54.59456  ? 2   SER A N   1 
ATOM   29   C CA  . SER A 1 5  ? 6.28939   -15.44528 5.31162   1.000 37.66430  ? 2   SER A CA  1 
ATOM   30   C C   . SER A 1 5  ? 6.74894   -14.40995 6.32546   1.000 35.81145  ? 2   SER A C   1 
ATOM   31   O O   . SER A 1 5  ? 6.56549   -14.59384 7.53180   1.000 42.88067  ? 2   SER A O   1 
ATOM   32   C CB  . SER A 1 5  ? 4.77947   -15.29515 5.07079   1.000 45.80471  ? 2   SER A CB  1 
ATOM   33   O OG  . SER A 1 5  ? 4.46303   -15.24468 3.68484   1.000 32.65627  ? 2   SER A OG  1 
ATOM   34   N N   . VAL A 1 6  ? 7.35820   -13.33183 5.83532   1.000 33.64821  ? 3   VAL A N   1 
ATOM   35   C CA  . VAL A 1 6  ? 7.79925   -12.26336 6.72325   1.000 26.20678  ? 3   VAL A CA  1 
ATOM   36   C C   . VAL A 1 6  ? 6.61230   -11.38179 7.10255   1.000 27.88837  ? 3   VAL A C   1 
ATOM   37   O O   . VAL A 1 6  ? 5.54702   -11.42165 6.48189   1.000 32.30964  ? 3   VAL A O   1 
ATOM   38   C CB  . VAL A 1 6  ? 8.93545   -11.44295 6.08777   1.000 29.87823  ? 3   VAL A CB  1 
ATOM   39   C CG1 . VAL A 1 6  ? 10.13776  -12.33226 5.81047   1.000 26.94192  ? 3   VAL A CG1 1 
ATOM   40   C CG2 . VAL A 1 6  ? 8.45555   -10.78073 4.80174   1.000 25.80464  ? 3   VAL A CG2 1 
ATOM   41   N N   A GLN A 1 7  ? 6.79942   -10.57053 8.14765   0.707 22.57393  ? 4   GLN A N   1 
ATOM   42   N N   B GLN A 1 7  ? 6.79949   -10.59420 8.15468   0.293 22.70845  ? 4   GLN A N   1 
ATOM   43   C CA  A GLN A 1 7  ? 5.78082   -9.63938  8.62681   0.707 22.06364  ? 4   GLN A CA  1 
ATOM   44   C CA  B GLN A 1 7  ? 5.80782   -9.63656  8.61573   0.293 22.12730  ? 4   GLN A CA  1 
ATOM   45   C C   A GLN A 1 7  ? 6.41182   -8.26130  8.75223   0.707 22.26890  ? 4   GLN A C   1 
ATOM   46   C C   B GLN A 1 7  ? 6.48321   -8.27698  8.63476   0.293 22.29183  ? 4   GLN A C   1 
ATOM   47   O O   A GLN A 1 7  ? 7.44395   -8.10894  9.41125   0.707 24.42845  ? 4   GLN A O   1 
ATOM   48   O O   B GLN A 1 7  ? 7.63274   -8.16100  9.07147   0.293 21.71708  ? 4   GLN A O   1 
ATOM   49   C CB  A GLN A 1 7  ? 5.21472   -10.07779 9.98676   0.707 24.15864  ? 4   GLN A CB  1 
ATOM   50   C CB  B GLN A 1 7  ? 5.31714   -10.00655 10.01792  0.293 24.24763  ? 4   GLN A CB  1 
ATOM   51   C CG  A GLN A 1 7  ? 4.11969   -9.15778  10.54741  0.707 24.15435  ? 4   GLN A CG  1 
ATOM   52   C CG  B GLN A 1 7  ? 5.01804   -11.48935 10.19399  0.293 28.07029  ? 4   GLN A CG  1 
ATOM   53   C CD  A GLN A 1 7  ? 4.61409   -8.18929  11.61702  0.707 22.52373  ? 4   GLN A CD  1 
ATOM   54   C CD  B GLN A 1 7  ? 3.54946   -11.76972 10.42583  0.293 29.84049  ? 4   GLN A CD  1 
ATOM   55   O OE1 A GLN A 1 7  ? 5.65140   -8.41006  12.24174  0.707 19.92771  ? 4   GLN A OE1 1 
ATOM   56   O OE1 B GLN A 1 7  ? 2.76261   -10.85407 10.66278  0.293 35.33761  ? 4   GLN A OE1 1 
ATOM   57   N NE2 A GLN A 1 7  ? 3.86322   -7.10842  11.83149  0.707 22.04829  ? 4   GLN A NE2 1 
ATOM   58   N NE2 B GLN A 1 7  ? 3.17031   -13.04073 10.35930  0.293 27.50692  ? 4   GLN A NE2 1 
ATOM   59   N N   . THR A 1 8  ? 5.79314   -7.25916  8.13344   1.000 17.93437  ? 5   THR A N   1 
ATOM   60   C CA  . THR A 1 8  ? 6.36213   -5.92257  8.08737   1.000 16.17655  ? 5   THR A CA  1 
ATOM   61   C C   . THR A 1 8  ? 5.51565   -4.90624  8.84257   1.000 15.35553  ? 5   THR A C   1 
ATOM   62   O O   . THR A 1 8  ? 4.33368   -5.12030  9.14722   1.000 15.65073  ? 5   THR A O   1 
ATOM   63   C CB  . THR A 1 8  ? 6.59640   -5.42804  6.64849   1.000 15.88472  ? 5   THR A CB  1 
ATOM   64   O OG1 . THR A 1 8  ? 5.34811   -5.13828  6.02934   1.000 15.63315  ? 5   THR A OG1 1 
ATOM   65   C CG2 . THR A 1 8  ? 7.30953   -6.47360  5.83658   1.000 16.92696  ? 5   THR A CG2 1 
ATOM   66   N N   . ALA A 1 9  ? 6.17318   -3.78634  9.14155   1.000 13.55157  ? 6   ALA A N   1 
ATOM   67   C CA  . ALA A 1 9  ? 5.52709   -2.59615  9.67035   1.000 15.30133  ? 6   ALA A CA  1 
ATOM   68   C C   . ALA A 1 9  ? 6.20811   -1.40441  9.03406   1.000 12.51456  ? 6   ALA A C   1 
ATOM   69   O O   . ALA A 1 9  ? 7.38946   -1.48304  8.69377   1.000 14.90910  ? 6   ALA A O   1 
ATOM   70   C CB  . ALA A 1 9  ? 5.65638   -2.51456  11.20512  1.000 17.17404  ? 6   ALA A CB  1 
ATOM   71   N N   . ALA A 1 10 ? 5.48785   -0.30488  8.88008   1.000 12.75841  ? 7   ALA A N   1 
ATOM   72   C CA  . ALA A 1 10 ? 6.00820   0.83955   8.14156   1.000 15.57999  ? 7   ALA A CA  1 
ATOM   73   C C   . ALA A 1 10 ? 5.53896   2.13733   8.77769   1.000 14.65031  ? 7   ALA A C   1 
ATOM   74   O O   . ALA A 1 10 ? 4.41711   2.22389   9.28207   1.000 15.41098  ? 7   ALA A O   1 
ATOM   75   C CB  . ALA A 1 10 ? 5.58409   0.79971   6.65251   1.000 15.82899  ? 7   ALA A CB  1 
ATOM   76   N N   . THR A 1 11 ? 6.40306   3.15435   8.71991   1.000 17.43016  ? 8   THR A N   1 
ATOM   77   C CA  . THR A 1 11 ? 6.06361   4.51587   9.12354   1.000 16.68060  ? 8   THR A CA  1 
ATOM   78   C C   . THR A 1 11 ? 6.72020   5.49615   8.15579   1.000 17.82688  ? 8   THR A C   1 
ATOM   79   O O   . THR A 1 11 ? 7.65602   5.14210   7.43101   1.000 16.59987  ? 8   THR A O   1 
ATOM   80   C CB  . THR A 1 11 ? 6.44587   4.79283   10.58302  1.000 18.65989  ? 8   THR A CB  1 
ATOM   81   O OG1 . THR A 1 11 ? 5.84779   6.02601   11.00314  1.000 21.21935  ? 8   THR A OG1 1 
ATOM   82   C CG2 . THR A 1 11 ? 7.96554   4.86827   10.74349  1.000 18.61998  ? 8   THR A CG2 1 
ATOM   83   N N   . SER A 1 12 ? 6.20838   6.72841   8.11787   1.000 15.63573  ? 9   SER A N   1 
ATOM   84   C CA  . SER A 1 12 ? 6.72205   7.75007   7.20904   1.000 18.99603  ? 9   SER A CA  1 
ATOM   85   C C   . SER A 1 12 ? 6.54209   9.13841   7.81626   1.000 22.22567  ? 9   SER A C   1 
ATOM   86   O O   . SER A 1 12 ? 5.69352   9.34467   8.68828   1.000 21.05595  ? 9   SER A O   1 
ATOM   87   C CB  . SER A 1 12 ? 6.02158   7.68923   5.85222   1.000 17.93441  ? 9   SER A CB  1 
ATOM   88   O OG  . SER A 1 12 ? 4.61862   7.86502   6.02581   1.000 17.74108  ? 9   SER A OG  1 
ATOM   89   N N   . TRP A 1 13 ? 7.31428   10.10856  7.31057   1.000 20.99097  ? 10  TRP A N   1 
ATOM   90   C CA  . TRP A 1 13 ? 7.21023   11.47779  7.80885   1.000 22.73231  ? 10  TRP A CA  1 
ATOM   91   C C   . TRP A 1 13 ? 7.69482   12.48851  6.77875   1.000 19.13939  ? 10  TRP A C   1 
ATOM   92   O O   . TRP A 1 13 ? 8.49564   12.17837  5.89106   1.000 21.60061  ? 10  TRP A O   1 
ATOM   93   C CB  . TRP A 1 13 ? 7.95319   11.67212  9.13133   1.000 21.11529  ? 10  TRP A CB  1 
ATOM   94   C CG  . TRP A 1 13 ? 9.44857   11.47249  9.07134   1.000 22.34928  ? 10  TRP A CG  1 
ATOM   95   C CD1 . TRP A 1 13 ? 10.39410  12.42714  8.80877   1.000 24.08795  ? 10  TRP A CD1 1 
ATOM   96   C CD2 . TRP A 1 13 ? 10.17159  10.25755  9.32803   1.000 20.15195  ? 10  TRP A CD2 1 
ATOM   97   N NE1 . TRP A 1 13 ? 11.65363  11.88033  8.87935   1.000 22.84757  ? 10  TRP A NE1 1 
ATOM   98   C CE2 . TRP A 1 13 ? 11.54671  10.55535  9.21358   1.000 24.59866  ? 10  TRP A CE2 1 
ATOM   99   C CE3 . TRP A 1 13 ? 9.78980   8.95562   9.67208   1.000 27.35044  ? 10  TRP A CE3 1 
ATOM   100  C CZ2 . TRP A 1 13 ? 12.53809  9.58943   9.39398   1.000 20.77646  ? 10  TRP A CZ2 1 
ATOM   101  C CZ3 . TRP A 1 13 ? 10.77049  7.99914   9.85405   1.000 20.24531  ? 10  TRP A CZ3 1 
ATOM   102  C CH2 . TRP A 1 13 ? 12.13554  8.32202   9.71837   1.000 22.52934  ? 10  TRP A CH2 1 
ATOM   103  N N   . GLY A 1 14 ? 7.18742   13.71672  6.90988   1.000 23.52535  ? 11  GLY A N   1 
ATOM   104  C CA  . GLY A 1 14 ? 7.57166   14.78247  6.00229   1.000 26.74434  ? 11  GLY A CA  1 
ATOM   105  C C   . GLY A 1 14 ? 6.98789   14.61911  4.60863   1.000 23.74798  ? 11  GLY A C   1 
ATOM   106  O O   . GLY A 1 14 ? 6.09663   13.80798  4.35692   1.000 24.98481  ? 11  GLY A O   1 
ATOM   107  N N   . THR A 1 15 ? 7.51918   15.41883  3.68488   1.000 24.91453  ? 12  THR A N   1 
ATOM   108  C CA  . THR A 1 15 ? 6.99193   15.46656  2.33117   1.000 28.92307  ? 12  THR A CA  1 
ATOM   109  C C   . THR A 1 15 ? 7.93741   14.90528  1.28330   1.000 24.65660  ? 12  THR A C   1 
ATOM   110  O O   . THR A 1 15 ? 7.53421   14.78505  0.12003   1.000 30.44812  ? 12  THR A O   1 
ATOM   111  C CB  . THR A 1 15 ? 6.58669   16.90277  1.95793   1.000 26.77647  ? 12  THR A CB  1 
ATOM   112  O OG1 . THR A 1 15 ? 7.70428   17.78303  2.14913   1.000 34.49049  ? 12  THR A OG1 1 
ATOM   113  C CG2 . THR A 1 15 ? 5.43203   17.36425  2.82865   1.000 27.12993  ? 12  THR A CG2 1 
ATOM   114  N N   . VAL A 1 16 ? 9.17566   14.56479  1.65244   1.000 24.49654  ? 13  VAL A N   1 
ATOM   115  C CA  . VAL A 1 16 ? 10.06977  13.88573  0.71052   1.000 26.86073  ? 13  VAL A CA  1 
ATOM   116  C C   . VAL A 1 16 ? 9.47622   12.58370  0.18924   1.000 21.24973  ? 13  VAL A C   1 
ATOM   117  O O   . VAL A 1 16 ? 9.47093   12.37811  -1.03979  1.000 30.27238  ? 13  VAL A O   1 
ATOM   118  C CB  . VAL A 1 16 ? 11.47346  13.73950  1.31520   1.000 29.36789  ? 13  VAL A CB  1 
ATOM   119  C CG1 . VAL A 1 16 ? 12.41136  13.05362  0.33228   1.000 28.69516  ? 13  VAL A CG1 1 
ATOM   120  C CG2 . VAL A 1 16 ? 12.02013  15.09296  1.74808   1.000 31.24722  ? 13  VAL A CG2 1 
ATOM   121  N N   . PRO A 1 17 ? 8.97799   11.66020  1.03074   1.000 25.67316  ? 14  PRO A N   1 
ATOM   122  C CA  . PRO A 1 17 ? 9.03691   11.63195  2.49042   1.000 21.01960  ? 14  PRO A CA  1 
ATOM   123  C C   . PRO A 1 17 ? 10.24559  10.81200  2.91569   1.000 19.82459  ? 14  PRO A C   1 
ATOM   124  O O   . PRO A 1 17 ? 11.02118  10.31021  2.09055   1.000 21.99131  ? 14  PRO A O   1 
ATOM   125  C CB  . PRO A 1 17 ? 7.77262   10.84995  2.83506   1.000 23.76788  ? 14  PRO A CB  1 
ATOM   126  C CG  . PRO A 1 17 ? 7.81356   9.76936   1.81153   1.000 20.01188  ? 14  PRO A CG  1 
ATOM   127  C CD  . PRO A 1 17 ? 8.26371   10.47313  0.53526   1.000 20.46667  ? 14  PRO A CD  1 
ATOM   128  N N   . SER A 1 18 ? 10.41548  10.65474  4.21631   1.000 19.15835  ? 15  SER A N   1 
ATOM   129  C CA  . SER A 1 18 ? 11.22821  9.58070   4.76409   1.000 18.72602  ? 15  SER A CA  1 
ATOM   130  C C   . SER A 1 18 ? 10.29852  8.43517   5.13088   1.000 18.55082  ? 15  SER A C   1 
ATOM   131  O O   . SER A 1 18 ? 9.22010   8.65845   5.69499   1.000 18.83512  ? 15  SER A O   1 
ATOM   132  C CB  . SER A 1 18 ? 11.99119  10.03008  6.00614   1.000 20.35608  ? 15  SER A CB  1 
ATOM   133  O OG  . SER A 1 18 ? 13.16313  10.75810  5.66791   1.000 21.63071  ? 15  SER A OG  1 
ATOM   134  N N   . ILE A 1 19 ? 10.70284  7.21873   4.78277   1.000 16.31207  ? 16  ILE A N   1 
ATOM   135  C CA  . ILE A 1 19 ? 9.96187   6.00712   5.11308   1.000 16.69549  ? 16  ILE A CA  1 
ATOM   136  C C   . ILE A 1 19 ? 10.90114  5.04630   5.82959   1.000 18.10103  ? 16  ILE A C   1 
ATOM   137  O O   . ILE A 1 19 ? 12.08102  4.94271   5.47478   1.000 15.61418  ? 16  ILE A O   1 
ATOM   138  C CB  . ILE A 1 19 ? 9.40601   5.32025   3.84969   1.000 16.36579  ? 16  ILE A CB  1 
ATOM   139  C CG1 . ILE A 1 19 ? 8.71250   6.32137   2.91670   1.000 16.82903  ? 16  ILE A CG1 1 
ATOM   140  C CG2 . ILE A 1 19 ? 8.48377   4.16887   4.24606   1.000 16.50520  ? 16  ILE A CG2 1 
ATOM   141  C CD1 . ILE A 1 19 ? 8.45223   5.76393   1.53383   1.000 16.74777  ? 16  ILE A CD1 1 
ATOM   142  N N   . ARG A 1 20 ? 10.37558  4.33405   6.83277   1.000 14.21083  ? 17  ARG A N   1 
ATOM   143  C CA  . ARG A 1 20 ? 11.06824  3.22073   7.46383   1.000 13.65538  ? 17  ARG A CA  1 
ATOM   144  C C   . ARG A 1 20 ? 10.18692  1.98291   7.42070   1.000 15.55129  ? 17  ARG A C   1 
ATOM   145  O O   . ARG A 1 20 ? 9.01003   2.03850   7.79509   1.000 14.71385  ? 17  ARG A O   1 
ATOM   146  C CB  . ARG A 1 20 ? 11.44665  3.55402   8.91115   1.000 16.96420  ? 17  ARG A CB  1 
ATOM   147  C CG  . ARG A 1 20 ? 12.37166  4.75318   9.04254   1.000 16.91712  ? 17  ARG A CG  1 
ATOM   148  C CD  . ARG A 1 20 ? 13.77935  4.47245   8.47893   1.000 15.72351  ? 17  ARG A CD  1 
ATOM   149  N NE  . ARG A 1 20 ? 14.67998  5.61143   8.64677   1.000 18.33671  ? 17  ARG A NE  1 
ATOM   150  C CZ  . ARG A 1 20 ? 14.79632  6.61252   7.78553   1.000 18.96252  ? 17  ARG A CZ  1 
ATOM   151  N NH1 . ARG A 1 20 ? 14.09144  6.64815   6.66066   1.000 18.70114  ? 17  ARG A NH1 1 
ATOM   152  N NH2 . ARG A 1 20 ? 15.66232  7.59368   8.04950   1.000 20.46512  ? 17  ARG A NH2 1 
ATOM   153  N N   . VAL A 1 21 ? 10.74730  0.87052   6.95397   1.000 15.10446  ? 18  VAL A N   1 
ATOM   154  C CA  . VAL A 1 21 ? 10.03006  -0.39522  6.84866   1.000 13.84545  ? 18  VAL A CA  1 
ATOM   155  C C   . VAL A 1 21 ? 10.78168  -1.41818  7.67658   1.000 12.90005  ? 18  VAL A C   1 
ATOM   156  O O   . VAL A 1 21 ? 11.96677  -1.67137  7.43081   1.000 13.75907  ? 18  VAL A O   1 
ATOM   157  C CB  . VAL A 1 21 ? 9.90567   -0.85618  5.38810   1.000 15.20341  ? 18  VAL A CB  1 
ATOM   158  C CG1 . VAL A 1 21 ? 9.14378   -2.16718  5.31409   1.000 14.70668  ? 18  VAL A CG1 1 
ATOM   159  C CG2 . VAL A 1 21 ? 9.20265   0.20368   4.58359   1.000 13.36006  ? 18  VAL A CG2 1 
ATOM   160  N N   . TYR A 1 22 ? 10.09351  -2.00138  8.65677   1.000 13.40701  ? 19  TYR A N   1 
ATOM   161  C CA  . TYR A 1 22 ? 10.66065  -2.99034  9.56164   1.000 14.45477  ? 19  TYR A CA  1 
ATOM   162  C C   . TYR A 1 22 ? 10.16144  -4.35938  9.13705   1.000 13.89813  ? 19  TYR A C   1 
ATOM   163  O O   . TYR A 1 22 ? 8.96842   -4.52929  8.87667   1.000 15.32754  ? 19  TYR A O   1 
ATOM   164  C CB  . TYR A 1 22 ? 10.25666  -2.66914  11.01726  1.000 15.67412  ? 19  TYR A CB  1 
ATOM   165  C CG  . TYR A 1 22 ? 10.73188  -1.29336  11.38491  1.000 12.30269  ? 19  TYR A CG  1 
ATOM   166  C CD1 . TYR A 1 22 ? 9.96877   -0.17684  11.08519  1.000 15.56957  ? 19  TYR A CD1 1 
ATOM   167  C CD2 . TYR A 1 22 ? 12.00162  -1.09434  11.92810  1.000 13.74937  ? 19  TYR A CD2 1 
ATOM   168  C CE1 . TYR A 1 22 ? 10.43121  1.09224   11.34175  1.000 15.63894  ? 19  TYR A CE1 1 
ATOM   169  C CE2 . TYR A 1 22 ? 12.46916  0.17633   12.18554  1.000 14.03090  ? 19  TYR A CE2 1 
ATOM   170  C CZ  . TYR A 1 22 ? 11.69597  1.26179   11.87840  1.000 15.48027  ? 19  TYR A CZ  1 
ATOM   171  O OH  . TYR A 1 22 ? 12.17914  2.51608   12.13412  1.000 18.02554  ? 19  TYR A OH  1 
ATOM   172  N N   . THR A 1 23 ? 11.06734  -5.32619  9.04216   1.000 17.19333  ? 20  THR A N   1 
ATOM   173  C CA  . THR A 1 23 ? 10.71824  -6.67419  8.61559   1.000 17.69541  ? 20  THR A CA  1 
ATOM   174  C C   . THR A 1 23 ? 11.15126  -7.66770  9.68229   1.000 15.77294  ? 20  THR A C   1 
ATOM   175  O O   . THR A 1 23 ? 12.34047  -7.74721  10.02279  1.000 17.33245  ? 20  THR A O   1 
ATOM   176  C CB  . THR A 1 23 ? 11.35665  -7.02124  7.27096   1.000 19.38939  ? 20  THR A CB  1 
ATOM   177  O OG1 . THR A 1 23 ? 10.94258  -6.06255  6.29422   1.000 18.98809  ? 20  THR A OG1 1 
ATOM   178  C CG2 . THR A 1 23 ? 10.92559  -8.40647  6.81153   1.000 20.51283  ? 20  THR A CG2 1 
ATOM   179  N N   . ALA A 1 24 ? 10.17697  -8.40037  10.21481  1.000 18.65439  ? 21  ALA A N   1 
ATOM   180  C CA  . ALA A 1 24 ? 10.42432  -9.52030  11.10904  1.000 18.29950  ? 21  ALA A CA  1 
ATOM   181  C C   . ALA A 1 24 ? 10.59177  -10.77401 10.26066  1.000 23.57555  ? 21  ALA A C   1 
ATOM   182  O O   . ALA A 1 24 ? 9.68217   -11.15522 9.51303   1.000 24.10323  ? 21  ALA A O   1 
ATOM   183  C CB  . ALA A 1 24 ? 9.27500   -9.68471  12.10421  1.000 21.10473  ? 21  ALA A CB  1 
ATOM   184  N N   . ASN A 1 25 ? 11.75335  -11.40705 10.37366  1.000 25.20190  ? 22  ASN A N   1 
ATOM   185  C CA  . ASN A 1 25 ? 12.09941  -12.54339 9.53261   1.000 25.83428  ? 22  ASN A CA  1 
ATOM   186  C C   . ASN A 1 25 ? 13.00086  -13.44112 10.36127  1.000 32.17329  ? 22  ASN A C   1 
ATOM   187  O O   . ASN A 1 25 ? 14.08382  -13.01389 10.76302  1.000 30.37511  ? 22  ASN A O   1 
ATOM   188  C CB  . ASN A 1 25 ? 12.84246  -12.04080 8.29282   1.000 27.03936  ? 22  ASN A CB  1 
ATOM   189  C CG  . ASN A 1 25 ? 13.26514  -13.15719 7.36587   1.000 29.55729  ? 22  ASN A CG  1 
ATOM   190  O OD1 . ASN A 1 25 ? 12.91490  -14.31505 7.56972   1.000 35.20581  ? 22  ASN A OD1 1 
ATOM   191  N ND2 . ASN A 1 25 ? 14.00876  -12.80822 6.32185   1.000 28.19587  ? 22  ASN A ND2 1 
ATOM   192  N N   . ASN A 1 26 ? 12.54930  -14.66566 10.63857  1.000 37.15219  ? 23  ASN A N   1 
ATOM   193  C CA  . ASN A 1 26 ? 13.34756  -15.63344 11.40095  1.000 36.29066  ? 23  ASN A CA  1 
ATOM   194  C C   . ASN A 1 26 ? 13.76079  -15.07542 12.76228  1.000 30.29404  ? 23  ASN A C   1 
ATOM   195  O O   . ASN A 1 26 ? 14.91031  -15.19426 13.18163  1.000 36.18010  ? 23  ASN A O   1 
ATOM   196  C CB  . ASN A 1 26 ? 14.57687  -16.10208 10.61955  1.000 39.39840  ? 23  ASN A CB  1 
ATOM   197  C CG  . ASN A 1 26 ? 14.25572  -17.15644 9.58770   1.000 52.68447  ? 23  ASN A CG  1 
ATOM   198  O OD1 . ASN A 1 26 ? 13.83984  -16.84175 8.47802   1.000 57.52798  ? 23  ASN A OD1 1 
ATOM   199  N ND2 . ASN A 1 26 ? 14.47260  -18.41935 9.93800   1.000 59.43024  ? 23  ASN A ND2 1 
ATOM   200  N N   . GLY A 1 27 ? 12.81359  -14.44406 13.45053  1.000 31.04638  ? 24  GLY A N   1 
ATOM   201  C CA  . GLY A 1 27 ? 13.08732  -13.95128 14.78997  1.000 30.84669  ? 24  GLY A CA  1 
ATOM   202  C C   . GLY A 1 27 ? 13.97249  -12.72633 14.88240  1.000 31.27478  ? 24  GLY A C   1 
ATOM   203  O O   . GLY A 1 27 ? 14.33389  -12.32615 15.99493  1.000 27.84359  ? 24  GLY A O   1 
ATOM   204  N N   . LYS A 1 28 ? 14.32194  -12.10710 13.75699  1.000 28.54414  ? 25  LYS A N   1 
ATOM   205  C CA  . LYS A 1 28 ? 15.12850  -10.89384 13.73035  1.000 24.01295  ? 25  LYS A CA  1 
ATOM   206  C C   . LYS A 1 28 ? 14.35250  -9.82295  12.97960  1.000 18.63642  ? 25  LYS A C   1 
ATOM   207  O O   . LYS A 1 28 ? 13.79157  -10.09637 11.91097  1.000 22.40561  ? 25  LYS A O   1 
ATOM   208  C CB  . LYS A 1 28 ? 16.45549  -11.14268 13.00806  1.000 26.63455  ? 25  LYS A CB  1 
ATOM   209  C CG  . LYS A 1 28 ? 17.44162  -11.98092 13.78920  1.000 32.90574  ? 25  LYS A CG  1 
ATOM   210  C CD  . LYS A 1 28 ? 18.18267  -11.12620 14.81195  1.000 37.98942  ? 25  LYS A CD  1 
ATOM   211  C CE  . LYS A 1 28 ? 18.40583  -11.87840 16.11222  1.000 44.71848  ? 25  LYS A CE  1 
ATOM   212  N NZ  . LYS A 1 28 ? 19.24797  -11.09981 17.06786  1.000 48.97932  ? 25  LYS A NZ  1 
ATOM   213  N N   . ILE A 1 29 ? 14.29350  -8.61962  13.54072  1.000 20.26086  ? 26  ILE A N   1 
ATOM   214  C CA  . ILE A 1 29 ? 13.69801  -7.47390  12.86349  1.000 17.07289  ? 26  ILE A CA  1 
ATOM   215  C C   . ILE A 1 29 ? 14.82078  -6.60280  12.32740  1.000 19.63698  ? 26  ILE A C   1 
ATOM   216  O O   . ILE A 1 29 ? 15.72847  -6.20831  13.07287  1.000 20.05496  ? 26  ILE A O   1 
ATOM   217  C CB  . ILE A 1 29 ? 12.76926  -6.67840  13.79781  1.000 19.22775  ? 26  ILE A CB  1 
ATOM   218  C CG1 . ILE A 1 29 ? 11.61246  -7.54906  14.28675  1.000 20.39260  ? 26  ILE A CG1 1 
ATOM   219  C CG2 . ILE A 1 29 ? 12.17234  -5.48118  13.05314  1.000 19.19491  ? 26  ILE A CG2 1 
ATOM   220  C CD1 . ILE A 1 29 ? 10.91503  -6.99191  15.52609  1.000 21.14115  ? 26  ILE A CD1 1 
ATOM   221  N N   . THR A 1 30 ? 14.76663  -6.31388  11.03031  1.000 17.89247  ? 27  THR A N   1 
ATOM   222  C CA  . THR A 1 30 ? 15.69137  -5.38840  10.39015  1.000 19.36572  ? 27  THR A CA  1 
ATOM   223  C C   . THR A 1 30 ? 14.90027  -4.25783  9.73705   1.000 14.43697  ? 27  THR A C   1 
ATOM   224  O O   . THR A 1 30 ? 13.67648  -4.31275  9.64793   1.000 17.02512  ? 27  THR A O   1 
ATOM   225  C CB  . THR A 1 30 ? 16.58334  -6.10974  9.37234   1.000 18.90330  ? 27  THR A CB  1 
ATOM   226  O OG1 . THR A 1 30 ? 15.76248  -6.78792  8.42309   1.000 21.40693  ? 27  THR A OG1 1 
ATOM   227  C CG2 . THR A 1 30 ? 17.47989  -7.12630  10.08198  1.000 24.10697  ? 27  THR A CG2 1 
ATOM   228  N N   . GLU A 1 31 ? 15.61152  -3.22151  9.29661   1.000 15.34290  ? 28  GLU A N   1 
ATOM   229  C CA  . GLU A 1 31 ? 15.02256  -1.94493  8.90857   1.000 15.90133  ? 28  GLU A CA  1 
ATOM   230  C C   . GLU A 1 31 ? 15.57158  -1.48707  7.56677   1.000 13.74602  ? 28  GLU A C   1 
ATOM   231  O O   . GLU A 1 31 ? 16.78159  -1.50545  7.35228   1.000 15.36897  ? 28  GLU A O   1 
ATOM   232  C CB  . GLU A 1 31 ? 15.38956  -0.90592  9.96951   1.000 15.32539  ? 28  GLU A CB  1 
ATOM   233  C CG  . GLU A 1 31 ? 14.90300  0.49080   9.71671   1.000 15.32372  ? 28  GLU A CG  1 
ATOM   234  C CD  . GLU A 1 31 ? 15.52185  1.48996   10.68272  1.000 18.38063  ? 28  GLU A CD  1 
ATOM   235  O OE1 . GLU A 1 31 ? 16.75392  1.43996   10.85642  1.000 18.54311  ? 28  GLU A OE1 1 
ATOM   236  O OE2 . GLU A 1 31 ? 14.78587  2.33359   11.24226  1.000 17.53881  ? 28  GLU A OE2 1 
ATOM   237  N N   . ARG A 1 32 ? 14.68442  -1.04313  6.68784   1.000 14.24893  ? 29  ARG A N   1 
ATOM   238  C CA  . ARG A 1 32 ? 15.05805  -0.41563  5.43235   1.000 12.61640  ? 29  ARG A CA  1 
ATOM   239  C C   . ARG A 1 32 ? 14.54895  1.01794   5.42934   1.000 15.21046  ? 29  ARG A C   1 
ATOM   240  O O   . ARG A 1 32 ? 13.45272  1.30748   5.93739   1.000 15.00876  ? 29  ARG A O   1 
ATOM   241  C CB  . ARG A 1 32 ? 14.51335  -1.21066  4.24627   1.000 13.57688  ? 29  ARG A CB  1 
ATOM   242  C CG  . ARG A 1 32 ? 15.16027  -2.58245  4.09335   1.000 17.24495  ? 29  ARG A CG  1 
ATOM   243  C CD  . ARG A 1 32 ? 16.57346  -2.51681  3.49863   1.000 14.51805  ? 29  ARG A CD  1 
ATOM   244  N NE  . ARG A 1 32 ? 16.53222  -2.41205  2.03936   1.000 17.80550  ? 29  ARG A NE  1 
ATOM   245  C CZ  . ARG A 1 32 ? 17.57712  -2.18266  1.25487   1.000 15.28765  ? 29  ARG A CZ  1 
ATOM   246  N NH1 . ARG A 1 32 ? 18.79992  -2.02444  1.74683   1.000 19.39570  ? 29  ARG A NH1 1 
ATOM   247  N NH2 . ARG A 1 32 ? 17.39327  -2.12617  -0.06316  1.000 17.99920  ? 29  ARG A NH2 1 
ATOM   248  N N   . CYS A 1 33 ? 15.34040  1.90931   4.84142   1.000 16.19098  ? 30  CYS A N   1 
ATOM   249  C CA  . CYS A 1 33 ? 15.11999  3.34173   4.92165   1.000 16.00498  ? 30  CYS A CA  1 
ATOM   250  C C   . CYS A 1 33 ? 15.07654  3.96252   3.53265   1.000 16.54306  ? 30  CYS A C   1 
ATOM   251  O O   . CYS A 1 33 ? 15.86917  3.61006   2.63713   1.000 15.53306  ? 30  CYS A O   1 
ATOM   252  C CB  . CYS A 1 33 ? 16.26654  4.01503   5.65597   1.000 16.27329  ? 30  CYS A CB  1 
ATOM   253  S SG  . CYS A 1 33 ? 16.72327  3.21353   7.20407   1.000 16.95734  ? 30  CYS A SG  1 
ATOM   254  N N   . TRP A 1 34 ? 14.16888  4.91979   3.37879   1.000 16.67621  ? 31  TRP A N   1 
ATOM   255  C CA  . TRP A 1 34 ? 14.09779  5.77759   2.20980   1.000 14.05094  ? 31  TRP A CA  1 
ATOM   256  C C   . TRP A 1 34 ? 14.11686  7.21320   2.69785   1.000 19.35792  ? 31  TRP A C   1 
ATOM   257  O O   . TRP A 1 34 ? 13.29785  7.58903   3.53902   1.000 19.56298  ? 31  TRP A O   1 
ATOM   258  C CB  . TRP A 1 34 ? 12.76903  5.53236   1.48486   1.000 16.87848  ? 31  TRP A CB  1 
ATOM   259  C CG  . TRP A 1 34 ? 12.49972  6.44269   0.29754   1.000 18.44586  ? 31  TRP A CG  1 
ATOM   260  C CD1 . TRP A 1 34 ? 11.82334  7.63244   0.30353   1.000 21.31693  ? 31  TRP A CD1 1 
ATOM   261  C CD2 . TRP A 1 34 ? 12.92065  6.23184   -1.04996  1.000 18.24870  ? 31  TRP A CD2 1 
ATOM   262  N NE1 . TRP A 1 34 ? 11.78856  8.16464   -0.95586  1.000 22.75572  ? 31  TRP A NE1 1 
ATOM   263  C CE2 . TRP A 1 34 ? 12.44383  7.32166   -1.81292  1.000 20.40875  ? 31  TRP A CE2 1 
ATOM   264  C CE3 . TRP A 1 34 ? 13.61102  5.21005   -1.69537  1.000 17.02335  ? 31  TRP A CE3 1 
ATOM   265  C CZ2 . TRP A 1 34 ? 12.66881  7.43514   -3.18735  1.000 21.27907  ? 31  TRP A CZ2 1 
ATOM   266  C CZ3 . TRP A 1 34 ? 13.83879  5.32339   -3.06635  1.000 19.18948  ? 31  TRP A CZ3 1 
ATOM   267  C CH2 . TRP A 1 34 ? 13.35193  6.42535   -3.79793  1.000 20.61764  ? 31  TRP A CH2 1 
ATOM   268  N N   . ASP A 1 35 ? 15.03965  8.01663   2.17600   1.000 21.73001  ? 32  ASP A N   1 
ATOM   269  C CA  . ASP A 1 35 ? 15.01049  9.45849   2.38989   1.000 24.20659  ? 32  ASP A CA  1 
ATOM   270  C C   . ASP A 1 35 ? 14.95841  10.21299  1.06125   1.000 23.71406  ? 32  ASP A C   1 
ATOM   271  O O   . ASP A 1 35 ? 15.44399  11.34142  0.96253   1.000 32.40032  ? 32  ASP A O   1 
ATOM   272  C CB  . ASP A 1 35 ? 16.17828  9.93474   3.25503   1.000 24.28536  ? 32  ASP A CB  1 
ATOM   273  C CG  . ASP A 1 35 ? 16.26121  9.20799   4.58882   1.000 25.06764  ? 32  ASP A CG  1 
ATOM   274  O OD1 . ASP A 1 35 ? 15.26777  9.17970   5.34244   1.000 25.43742  ? 32  ASP A OD1 1 
ATOM   275  O OD2 . ASP A 1 35 ? 17.34974  8.67095   4.89486   1.000 36.32890  ? 32  ASP A OD2 1 
ATOM   276  N N   . GLY A 1 36 ? 14.39048  9.59444   0.02256   1.000 24.90500  ? 33  GLY A N   1 
ATOM   277  C CA  . GLY A 1 36 ? 14.20864  10.24688  -1.25533  1.000 25.76162  ? 33  GLY A CA  1 
ATOM   278  C C   . GLY A 1 36 ? 15.20726  9.87121   -2.33173  1.000 26.28990  ? 33  GLY A C   1 
ATOM   279  O O   . GLY A 1 36 ? 15.03292  10.29442  -3.48603  1.000 28.66553  ? 33  GLY A O   1 
ATOM   280  N N   . LYS A 1 37 ? 16.23497  9.08940   -2.00467  1.000 22.97740  ? 34  LYS A N   1 
ATOM   281  C CA  . LYS A 1 37 ? 17.35756  8.88007   -2.91224  1.000 24.33247  ? 34  LYS A CA  1 
ATOM   282  C C   . LYS A 1 37 ? 17.79343  7.42219   -2.92235  1.000 22.64565  ? 34  LYS A C   1 
ATOM   283  O O   . LYS A 1 37 ? 18.97947  7.11828   -3.06415  1.000 28.24900  ? 34  LYS A O   1 
ATOM   284  C CB  . LYS A 1 37 ? 18.53977  9.78144   -2.54702  1.000 21.65924  ? 34  LYS A CB  1 
ATOM   285  C CG  . LYS A 1 37 ? 18.17349  11.24616  -2.35266  1.000 30.40961  ? 34  LYS A CG  1 
ATOM   286  C CD  . LYS A 1 37 ? 17.80454  11.91131  -3.66327  1.000 34.30203  ? 34  LYS A CD  1 
ATOM   287  C CE  . LYS A 1 37 ? 17.14380  13.25922  -3.41589  1.000 49.51474  ? 34  LYS A CE  1 
ATOM   288  N NZ  . LYS A 1 37 ? 17.27174  14.16004  -4.59432  1.000 60.78732  ? 34  LYS A NZ  1 
ATOM   289  N N   . GLY A 1 38 ? 16.85591  6.50372   -2.79164  1.000 19.60072  ? 35  GLY A N   1 
ATOM   290  C CA  . GLY A 1 38 ? 17.23565  5.10943   -2.80972  1.000 18.48049  ? 35  GLY A CA  1 
ATOM   291  C C   . GLY A 1 38 ? 17.04336  4.47647   -1.44400  1.000 20.10377  ? 35  GLY A C   1 
ATOM   292  O O   . GLY A 1 38 ? 17.14104  5.13868   -0.40568  1.000 19.50654  ? 35  GLY A O   1 
ATOM   293  N N   . TRP A 1 39 ? 16.76935  3.17705   -1.44542  1.000 16.59437  ? 36  TRP A N   1 
ATOM   294  C CA  . TRP A 1 39 ? 16.55856  2.43599   -0.20769  1.000 17.49304  ? 36  TRP A CA  1 
ATOM   295  C C   . TRP A 1 39 ? 17.89782  1.94512   0.31309   1.000 17.64270  ? 36  TRP A C   1 
ATOM   296  O O   . TRP A 1 39 ? 18.75395  1.51411   -0.46509  1.000 17.46186  ? 36  TRP A O   1 
ATOM   297  C CB  . TRP A 1 39 ? 15.65189  1.23620   -0.47042  1.000 16.23640  ? 36  TRP A CB  1 
ATOM   298  C CG  . TRP A 1 39 ? 14.21797  1.62677   -0.64896  1.000 14.39024  ? 36  TRP A CG  1 
ATOM   299  C CD1 . TRP A 1 39 ? 13.59330  1.93342   -1.82655  1.000 15.77131  ? 36  TRP A CD1 1 
ATOM   300  C CD2 . TRP A 1 39 ? 13.23990  1.80375   0.38172   1.000 14.56224  ? 36  TRP A CD2 1 
ATOM   301  N NE1 . TRP A 1 39 ? 12.28812  2.27526   -1.59316  1.000 16.92793  ? 36  TRP A NE1 1 
ATOM   302  C CE2 . TRP A 1 39 ? 12.04873  2.20889   -0.24270  1.000 14.40198  ? 36  TRP A CE2 1 
ATOM   303  C CE3 . TRP A 1 39 ? 13.26274  1.66493   1.77927   1.000 15.47053  ? 36  TRP A CE3 1 
ATOM   304  C CZ2 . TRP A 1 39 ? 10.87722  2.45430   0.47321   1.000 14.66763  ? 36  TRP A CZ2 1 
ATOM   305  C CZ3 . TRP A 1 39 ? 12.09773  1.90687   2.48817   1.000 13.83485  ? 36  TRP A CZ3 1 
ATOM   306  C CH2 . TRP A 1 39 ? 10.92262  2.29843   1.83596   1.000 14.20974  ? 36  TRP A CH2 1 
ATOM   307  N N   . TYR A 1 40 ? 18.07846  2.01080   1.62734   1.000 16.12970  ? 37  TYR A N   1 
ATOM   308  C CA  . TYR A 1 40 ? 19.31178  1.56358   2.25345   1.000 16.33834  ? 37  TYR A CA  1 
ATOM   309  C C   . TYR A 1 40 ? 18.96442  0.94558   3.60106   1.000 15.15500  ? 37  TYR A C   1 
ATOM   310  O O   . TYR A 1 40 ? 17.84902  1.09184   4.10587   1.000 16.29267  ? 37  TYR A O   1 
ATOM   311  C CB  . TYR A 1 40 ? 20.33899  2.70291   2.36632   1.000 17.89524  ? 37  TYR A CB  1 
ATOM   312  C CG  . TYR A 1 40 ? 19.88648  3.82181   3.26921   1.000 19.03333  ? 37  TYR A CG  1 
ATOM   313  C CD1 . TYR A 1 40 ? 19.07882  4.84929   2.79640   1.000 20.67772  ? 37  TYR A CD1 1 
ATOM   314  C CD2 . TYR A 1 40 ? 20.25504  3.84010   4.60535   1.000 18.25705  ? 37  TYR A CD2 1 
ATOM   315  C CE1 . TYR A 1 40 ? 18.66080  5.87403   3.63083   1.000 22.42534  ? 37  TYR A CE1 1 
ATOM   316  C CE2 . TYR A 1 40 ? 19.85216  4.85397   5.44745   1.000 20.58305  ? 37  TYR A CE2 1 
ATOM   317  C CZ  . TYR A 1 40 ? 19.04847  5.86782   4.96114   1.000 23.60381  ? 37  TYR A CZ  1 
ATOM   318  O OH  . TYR A 1 40 ? 18.62787  6.87772   5.80581   1.000 24.81089  ? 37  TYR A OH  1 
ATOM   319  N N   . THR A 1 41 ? 19.92763  0.24446   4.18411   1.000 15.42133  ? 38  THR A N   1 
ATOM   320  C CA  . THR A 1 41 ? 19.68825  -0.50750  5.40935   1.000 15.56515  ? 38  THR A CA  1 
ATOM   321  C C   . THR A 1 41 ? 19.93368  0.35798   6.64095   1.000 16.29502  ? 38  THR A C   1 
ATOM   322  O O   . THR A 1 41 ? 20.92076  1.09507   6.72049   1.000 16.88684  ? 38  THR A O   1 
ATOM   323  C CB  . THR A 1 41 ? 20.53707  -1.77577  5.43566   1.000 16.36299  ? 38  THR A CB  1 
ATOM   324  O OG1 . THR A 1 41 ? 20.05952  -2.65840  4.41741   1.000 19.12745  ? 38  THR A OG1 1 
ATOM   325  C CG2 . THR A 1 41 ? 20.43902  -2.47052  6.79648   1.000 17.40986  ? 38  THR A CG2 1 
ATOM   326  N N   . GLY A 1 42 ? 18.99765  0.30280   7.58372   1.000 16.28884  ? 39  GLY A N   1 
ATOM   327  C CA  . GLY A 1 42 ? 19.09235  1.12099   8.76993   1.000 15.96264  ? 39  GLY A CA  1 
ATOM   328  C C   . GLY A 1 42 ? 19.79641  0.41626   9.91287   1.000 15.65025  ? 39  GLY A C   1 
ATOM   329  O O   . GLY A 1 42 ? 20.12083  -0.76532  9.85871   1.000 15.56439  ? 39  GLY A O   1 
ATOM   330  N N   . ALA A 1 43 ? 19.98934  1.16742   10.99584  1.000 16.32556  ? 40  ALA A N   1 
ATOM   331  C CA  . ALA A 1 43 ? 20.69908  0.65921   12.16208  1.000 17.43045  ? 40  ALA A CA  1 
ATOM   332  C C   . ALA A 1 43 ? 19.85346  -0.25923  13.04380  1.000 15.00147  ? 40  ALA A C   1 
ATOM   333  O O   . ALA A 1 43 ? 20.41209  -1.01053  13.84923  1.000 18.05126  ? 40  ALA A O   1 
ATOM   334  C CB  . ALA A 1 43 ? 21.20925  1.83783   12.99249  1.000 20.40137  ? 40  ALA A CB  1 
ATOM   335  N N   . PHE A 1 44 ? 18.53218  -0.24827  12.90429  1.000 15.62980  ? 41  PHE A N   1 
ATOM   336  C CA  . PHE A 1 44 ? 17.70585  -1.07282  13.78075  1.000 14.84418  ? 41  PHE A CA  1 
ATOM   337  C C   . PHE A 1 44 ? 17.92819  -2.54578  13.48474  1.000 16.81838  ? 41  PHE A C   1 
ATOM   338  O O   . PHE A 1 44 ? 17.69755  -3.00127  12.35939  1.000 20.09888  ? 41  PHE A O   1 
ATOM   339  C CB  . PHE A 1 44 ? 16.22132  -0.76156  13.60820  1.000 17.53972  ? 41  PHE A CB  1 
ATOM   340  C CG  . PHE A 1 44 ? 15.35323  -1.50929  14.58259  1.000 19.80713  ? 41  PHE A CG  1 
ATOM   341  C CD1 . PHE A 1 44 ? 15.09749  -0.97546  15.82608  1.000 23.78039  ? 41  PHE A CD1 1 
ATOM   342  C CD2 . PHE A 1 44 ? 14.82028  -2.75353  14.27090  1.000 18.14888  ? 41  PHE A CD2 1 
ATOM   343  C CE1 . PHE A 1 44 ? 14.32235  -1.65741  16.74812  1.000 22.15472  ? 41  PHE A CE1 1 
ATOM   344  C CE2 . PHE A 1 44 ? 14.03326  -3.43289  15.19210  1.000 20.16764  ? 41  PHE A CE2 1 
ATOM   345  C CZ  . PHE A 1 44 ? 13.80055  -2.88333  16.43039  1.000 21.90023  ? 41  PHE A CZ  1 
ATOM   346  N N   . ASN A 1 45 ? 18.30110  -3.31103  14.50922  1.000 19.60113  ? 42  ASN A N   1 
ATOM   347  C CA  . ASN A 1 45 ? 18.44394  -4.75412  14.34619  1.000 20.10227  ? 42  ASN A CA  1 
ATOM   348  C C   . ASN A 1 45 ? 18.27756  -5.35585  15.74155  1.000 23.92171  ? 42  ASN A C   1 
ATOM   349  O O   . ASN A 1 45 ? 19.20954  -5.31009  16.54585  1.000 27.03311  ? 42  ASN A O   1 
ATOM   350  C CB  . ASN A 1 45 ? 19.80176  -5.08430  13.74695  1.000 24.07232  ? 42  ASN A CB  1 
ATOM   351  C CG  . ASN A 1 45 ? 19.93918  -6.54235  13.37233  1.000 27.96641  ? 42  ASN A CG  1 
ATOM   352  O OD1 . ASN A 1 45 ? 19.67558  -7.43249  14.18158  1.000 32.46114  ? 42  ASN A OD1 1 
ATOM   353  N ND2 . ASN A 1 45 ? 20.35351  -6.79673  12.13678  1.000 30.15898  ? 42  ASN A ND2 1 
ATOM   354  N N   . GLU A 1 46 ? 17.09820  -5.89172  16.02243  1.000 21.26001  ? 43  GLU A N   1 
ATOM   355  C CA  . GLU A 1 46 ? 16.77490  -6.45353  17.32508  1.000 22.26832  ? 43  GLU A CA  1 
ATOM   356  C C   . GLU A 1 46 ? 15.90665  -7.68759  17.13955  1.000 23.54779  ? 43  GLU A C   1 
ATOM   357  O O   . GLU A 1 46 ? 15.25635  -7.84996  16.09918  1.000 21.25544  ? 43  GLU A O   1 
ATOM   358  C CB  . GLU A 1 46 ? 16.04582  -5.42781  18.20760  1.000 23.36705  ? 43  GLU A CB  1 
ATOM   359  C CG  . GLU A 1 46 ? 16.84624  -4.15580  18.48158  1.000 25.64501  ? 43  GLU A CG  1 
ATOM   360  C CD  . GLU A 1 46 ? 18.12498  -4.39459  19.26776  1.000 30.05172  ? 43  GLU A CD  1 
ATOM   361  O OE1 . GLU A 1 46 ? 18.34565  -5.51943  19.77360  1.000 31.05996  ? 43  GLU A OE1 1 
ATOM   362  O OE2 . GLU A 1 46 ? 18.91899  -3.43992  19.37293  1.000 33.58773  ? 43  GLU A OE2 1 
ATOM   363  N N   . PRO A 1 47 ? 15.87151  -8.58017  18.12937  1.000 24.25595  ? 44  PRO A N   1 
ATOM   364  C CA  . PRO A 1 47 ? 15.05297  -9.79112  17.99520  1.000 24.01648  ? 44  PRO A CA  1 
ATOM   365  C C   . PRO A 1 47 ? 13.56538  -9.47344  17.95329  1.000 19.66899  ? 44  PRO A C   1 
ATOM   366  O O   . PRO A 1 47 ? 13.09582  -8.47992  18.51987  1.000 22.76565  ? 44  PRO A O   1 
ATOM   367  C CB  . PRO A 1 47 ? 15.38000  -10.58866 19.26545  1.000 23.86572  ? 44  PRO A CB  1 
ATOM   368  C CG  . PRO A 1 47 ? 16.65421  -10.02693 19.76500  1.000 27.05337  ? 44  PRO A CG  1 
ATOM   369  C CD  . PRO A 1 47 ? 16.65559  -8.58467  19.37798  1.000 21.83253  ? 44  PRO A CD  1 
ATOM   370  N N   . GLY A 1 48 ? 12.82209  -10.34494 17.27924  1.000 25.95367  ? 45  GLY A N   1 
ATOM   371  C CA  . GLY A 1 48 ? 11.37701  -10.25043 17.26487  1.000 25.76160  ? 45  GLY A CA  1 
ATOM   372  C C   . GLY A 1 48 ? 10.73570  -11.11976 16.20475  1.000 22.01225  ? 45  GLY A C   1 
ATOM   373  O O   . GLY A 1 48 ? 11.29893  -11.30650 15.12387  1.000 23.36672  ? 45  GLY A O   1 
ATOM   374  N N   . ASP A 1 49 ? 9.56583   -11.67446 16.52015  1.000 22.19165  ? 46  ASP A N   1 
ATOM   375  C CA  . ASP A 1 49 ? 8.71748   -12.37833 15.56656  1.000 24.74583  ? 46  ASP A CA  1 
ATOM   376  C C   . ASP A 1 49 ? 7.62077   -11.49142 15.00270  1.000 22.27685  ? 46  ASP A C   1 
ATOM   377  O O   . ASP A 1 49 ? 7.03866   -11.82707 13.96584  1.000 28.77586  ? 46  ASP A O   1 
ATOM   378  C CB  . ASP A 1 49 ? 8.00729   -13.55441 16.24652  1.000 29.47604  ? 46  ASP A CB  1 
ATOM   379  C CG  . ASP A 1 49 ? 8.96008   -14.50778 16.91604  1.000 40.91886  ? 46  ASP A CG  1 
ATOM   380  O OD1 . ASP A 1 49 ? 9.98753   -14.84839 16.29419  1.000 43.47986  ? 46  ASP A OD1 1 
ATOM   381  O OD2 . ASP A 1 49 ? 8.67302   -14.91756 18.06400  1.000 39.25557  ? 46  ASP A OD2 1 
ATOM   382  N N   . ASN A 1 50 ? 7.30932   -10.39334 15.68119  1.000 22.76393  ? 47  ASN A N   1 
ATOM   383  C CA  . ASN A 1 50 ? 6.21950   -9.51442  15.30757  1.000 19.61641  ? 47  ASN A CA  1 
ATOM   384  C C   . ASN A 1 50 ? 6.65183   -8.08384  15.56650  1.000 19.05352  ? 47  ASN A C   1 
ATOM   385  O O   . ASN A 1 50 ? 7.32461   -7.80153  16.56258  1.000 19.99024  ? 47  ASN A O   1 
ATOM   386  C CB  . ASN A 1 50 ? 4.95876   -9.81957  16.13887  1.000 20.75706  ? 47  ASN A CB  1 
ATOM   387  C CG  . ASN A 1 50 ? 3.81429   -8.86731  15.83222  1.000 21.05248  ? 47  ASN A CG  1 
ATOM   388  O OD1 . ASN A 1 50 ? 3.62405   -7.86266  16.51807  1.000 21.52441  ? 47  ASN A OD1 1 
ATOM   389  N ND2 . ASN A 1 50 ? 3.04715   -9.17216  14.78553  1.000 23.05908  ? 47  ASN A ND2 1 
ATOM   390  N N   . VAL A 1 51 ? 6.24997   -7.17878  14.68590  1.000 17.73876  ? 48  VAL A N   1 
ATOM   391  C CA  . VAL A 1 51 ? 6.66668   -5.79192  14.78551  1.000 17.37633  ? 48  VAL A CA  1 
ATOM   392  C C   . VAL A 1 51 ? 5.49859   -4.86449  14.47909  1.000 16.16016  ? 48  VAL A C   1 
ATOM   393  O O   . VAL A 1 51 ? 4.70356   -5.11588  13.55823  1.000 16.63451  ? 48  VAL A O   1 
ATOM   394  C CB  . VAL A 1 51 ? 7.90098   -5.51799  13.89601  1.000 18.06480  ? 48  VAL A CB  1 
ATOM   395  C CG1 . VAL A 1 51 ? 7.57665   -5.77416  12.41071  1.000 18.89791  ? 48  VAL A CG1 1 
ATOM   396  C CG2 . VAL A 1 51 ? 8.39788   -4.11474  14.11935  1.000 20.29762  ? 48  VAL A CG2 1 
ATOM   397  N N   . SER A 1 52 ? 5.38867   -3.79258  15.26390  1.000 15.85851  ? 49  SER A N   1 
ATOM   398  C CA  . SER A 1 52 ? 4.58744   -2.63573  14.91886  1.000 16.07069  ? 49  SER A CA  1 
ATOM   399  C C   . SER A 1 52 ? 5.41446   -1.38054  15.15703  1.000 12.52367  ? 49  SER A C   1 
ATOM   400  O O   . SER A 1 52 ? 6.45539   -1.41307  15.82838  1.000 15.71403  ? 49  SER A O   1 
ATOM   401  C CB  . SER A 1 52 ? 3.26714   -2.59388  15.70185  1.000 15.54482  ? 49  SER A CB  1 
ATOM   402  O OG  . SER A 1 52 ? 3.48329   -2.44668  17.09739  1.000 17.86908  ? 49  SER A OG  1 
ATOM   403  N N   . VAL A 1 53 ? 4.96076   -0.25835  14.60040  1.000 15.01255  ? 50  VAL A N   1 
ATOM   404  C CA  . VAL A 1 53 ? 5.74199   0.96655   14.71813  1.000 13.75538  ? 50  VAL A CA  1 
ATOM   405  C C   . VAL A 1 53 ? 4.82105   2.17582   14.68210  1.000 16.59929  ? 50  VAL A C   1 
ATOM   406  O O   . VAL A 1 53 ? 3.75549   2.15358   14.05697  1.000 17.49667  ? 50  VAL A O   1 
ATOM   407  C CB  . VAL A 1 53 ? 6.80673   1.03743   13.59098  1.000 16.03006  ? 50  VAL A CB  1 
ATOM   408  C CG1 . VAL A 1 53 ? 6.13005   1.15643   12.22468  1.000 18.10627  ? 50  VAL A CG1 1 
ATOM   409  C CG2 . VAL A 1 53 ? 7.80451   2.16845   13.82201  1.000 18.34753  ? 50  VAL A CG2 1 
ATOM   410  N N   . THR A 1 54 ? 5.23264   3.23297   15.38808  1.000 16.91507  ? 51  THR A N   1 
ATOM   411  C CA  . THR A 1 54 ? 4.61430   4.54512   15.26147  1.000 17.99702  ? 51  THR A CA  1 
ATOM   412  C C   . THR A 1 54 ? 5.71691   5.59839   15.33049  1.000 16.32065  ? 51  THR A C   1 
ATOM   413  O O   . THR A 1 54 ? 6.80637   5.34839   15.84797  1.000 22.37280  ? 51  THR A O   1 
ATOM   414  C CB  . THR A 1 54 ? 3.51635   4.76875   16.33645  1.000 16.20238  ? 51  THR A CB  1 
ATOM   415  O OG1 . THR A 1 54 ? 2.76601   5.94125   16.01266  1.000 19.60646  ? 51  THR A OG1 1 
ATOM   416  C CG2 . THR A 1 54 ? 4.14231   4.93370   17.71683  1.000 20.84519  ? 51  THR A CG2 1 
ATOM   417  N N   . SER A 1 55 ? 5.43769   6.78210   14.79120  1.000 21.76360  ? 52  SER A N   1 
ATOM   418  C CA  . SER A 1 55 ? 6.42996   7.84961   14.82121  1.000 21.33262  ? 52  SER A CA  1 
ATOM   419  C C   . SER A 1 55 ? 5.72560   9.19750   14.83276  1.000 22.53036  ? 52  SER A C   1 
ATOM   420  O O   . SER A 1 55 ? 4.56651   9.31042   14.43840  1.000 23.54083  ? 52  SER A O   1 
ATOM   421  C CB  . SER A 1 55 ? 7.41456   7.74654   13.63859  1.000 21.24191  ? 52  SER A CB  1 
ATOM   422  O OG  . SER A 1 55 ? 6.78468   8.01836   12.40102  1.000 22.17638  ? 52  SER A OG  1 
ATOM   423  N N   . TRP A 1 56 ? 6.44048   10.22647  15.29180  1.000 26.85310  ? 53  TRP A N   1 
ATOM   424  C CA  . TRP A 1 56 ? 5.87121   11.56865  15.34072  1.000 27.12390  ? 53  TRP A CA  1 
ATOM   425  C C   . TRP A 1 56 ? 6.98845   12.59742  15.24615  1.000 28.22665  ? 53  TRP A C   1 
ATOM   426  O O   . TRP A 1 56 ? 8.15087   12.30961  15.53493  1.000 25.80229  ? 53  TRP A O   1 
ATOM   427  C CB  . TRP A 1 56 ? 5.03763   11.79307  16.61336  1.000 28.79957  ? 53  TRP A CB  1 
ATOM   428  C CG  . TRP A 1 56 ? 5.85360   11.81608  17.85578  1.000 25.72668  ? 53  TRP A CG  1 
ATOM   429  C CD1 . TRP A 1 56 ? 6.39899   12.91239  18.45912  1.000 29.82848  ? 53  TRP A CD1 1 
ATOM   430  C CD2 . TRP A 1 56 ? 6.24266   10.68753  18.64125  1.000 22.09742  ? 53  TRP A CD2 1 
ATOM   431  N NE1 . TRP A 1 56 ? 7.09150   12.53615  19.58221  1.000 26.66036  ? 53  TRP A NE1 1 
ATOM   432  C CE2 . TRP A 1 56 ? 7.01061   11.17544  19.72047  1.000 22.39515  ? 53  TRP A CE2 1 
ATOM   433  C CE3 . TRP A 1 56 ? 6.00314   9.31385   18.55048  1.000 23.32574  ? 53  TRP A CE3 1 
ATOM   434  C CZ2 . TRP A 1 56 ? 7.56299   10.33456  20.68494  1.000 22.27507  ? 53  TRP A CZ2 1 
ATOM   435  C CZ3 . TRP A 1 56 ? 6.53273   8.48415   19.51765  1.000 22.80572  ? 53  TRP A CZ3 1 
ATOM   436  C CH2 . TRP A 1 56 ? 7.31023   8.99562   20.57056  1.000 23.45057  ? 53  TRP A CH2 1 
ATOM   437  N N   . LEU A 1 57 ? 6.62437   13.80200  14.81745  1.000 31.53509  ? 54  LEU A N   1 
ATOM   438  C CA  . LEU A 1 57 ? 7.57713   14.89525  14.68041  1.000 34.72743  ? 54  LEU A CA  1 
ATOM   439  C C   . LEU A 1 57 ? 7.45295   15.85426  15.85930  1.000 37.21134  ? 54  LEU A C   1 
ATOM   440  O O   . LEU A 1 57 ? 6.34573   16.18774  16.29226  1.000 37.61104  ? 54  LEU A O   1 
ATOM   441  C CB  . LEU A 1 57 ? 7.35214   15.65944  13.37273  1.000 31.69871  ? 54  LEU A CB  1 
ATOM   442  C CG  . LEU A 1 57 ? 7.71610   14.96308  12.05952  1.000 31.42484  ? 54  LEU A CG  1 
ATOM   443  C CD1 . LEU A 1 57 ? 7.14121   15.72670  10.87739  1.000 40.96736  ? 54  LEU A CD1 1 
ATOM   444  C CD2 . LEU A 1 57 ? 9.22597   14.82836  11.92543  1.000 36.30180  ? 54  LEU A CD2 1 
ATOM   445  N N   . VAL A 1 58 ? 8.59735   16.26845  16.38807  1.000 39.45676  ? 55  VAL A N   1 
ATOM   446  C CA  . VAL A 1 58 ? 8.69740   17.38365  17.31944  1.000 43.64299  ? 55  VAL A CA  1 
ATOM   447  C C   . VAL A 1 58 ? 9.48033   18.46686  16.58998  1.000 47.33654  ? 55  VAL A C   1 
ATOM   448  O O   . VAL A 1 58 ? 10.71337  18.41517  16.50106  1.000 48.60382  ? 55  VAL A O   1 
ATOM   449  C CB  . VAL A 1 58 ? 9.36039   16.97801  18.63766  1.000 44.78442  ? 55  VAL A CB  1 
ATOM   450  C CG1 . VAL A 1 58 ? 9.71150   18.20928  19.45961  1.000 46.64142  ? 55  VAL A CG1 1 
ATOM   451  C CG2 . VAL A 1 58 ? 8.43146   16.07058  19.41467  1.000 45.97101  ? 55  VAL A CG2 1 
ATOM   452  N N   . GLY A 1 59 ? 8.76208   19.44435  16.04903  1.000 48.02109  ? 56  GLY A N   1 
ATOM   453  C CA  . GLY A 1 59 ? 9.37999   20.35031  15.09838  1.000 45.52845  ? 56  GLY A CA  1 
ATOM   454  C C   . GLY A 1 59 ? 9.71591   19.56152  13.84776  1.000 49.27949  ? 56  GLY A C   1 
ATOM   455  O O   . GLY A 1 59 ? 8.84563   18.93469  13.22932  1.000 49.20946  ? 56  GLY A O   1 
ATOM   456  N N   . SER A 1 60 ? 10.98993  19.56132  13.47055  1.000 52.39933  ? 57  SER A N   1 
ATOM   457  C CA  . SER A 1 60 ? 11.46812  18.76311  12.35086  1.000 48.69546  ? 57  SER A CA  1 
ATOM   458  C C   . SER A 1 60 ? 12.24794  17.53108  12.79918  1.000 47.95997  ? 57  SER A C   1 
ATOM   459  O O   . SER A 1 60 ? 12.86710  16.86196  11.96338  1.000 50.64340  ? 57  SER A O   1 
ATOM   460  C CB  . SER A 1 60 ? 12.32360  19.61318  11.40822  1.000 47.30668  ? 57  SER A CB  1 
ATOM   461  O OG  . SER A 1 60 ? 13.61322  19.81887  11.95566  1.000 62.21451  ? 57  SER A OG  1 
ATOM   462  N N   . ALA A 1 61 ? 12.23500  17.22118  14.09378  1.000 36.92778  ? 58  ALA A N   1 
ATOM   463  C CA  . ALA A 1 61 ? 12.91512  16.04627  14.61771  1.000 35.32665  ? 58  ALA A CA  1 
ATOM   464  C C   . ALA A 1 61 ? 11.96091  14.86092  14.62935  1.000 30.95717  ? 58  ALA A C   1 
ATOM   465  O O   . ALA A 1 61 ? 10.80575  14.98527  15.04601  1.000 34.97130  ? 58  ALA A O   1 
ATOM   466  C CB  . ALA A 1 61 ? 13.41906  16.30536  16.03855  1.000 41.84287  ? 58  ALA A CB  1 
ATOM   467  N N   . ILE A 1 62 ? 12.44747  13.71237  14.16559  1.000 34.34129  ? 59  ILE A N   1 
ATOM   468  C CA  . ILE A 1 62 ? 11.63561  12.50182  14.11256  1.000 29.79118  ? 59  ILE A CA  1 
ATOM   469  C C   . ILE A 1 62 ? 11.84557  11.69445  15.38530  1.000 29.25728  ? 59  ILE A C   1 
ATOM   470  O O   . ILE A 1 62 ? 12.94981  11.64156  15.93704  1.000 29.06053  ? 59  ILE A O   1 
ATOM   471  C CB  . ILE A 1 62 ? 11.94339  11.67113  12.84908  1.000 29.10122  ? 59  ILE A CB  1 
ATOM   472  C CG1 . ILE A 1 62 ? 10.96230  10.50275  12.71845  1.000 24.46371  ? 59  ILE A CG1 1 
ATOM   473  C CG2 . ILE A 1 62 ? 13.36552  11.13859  12.88538  1.000 31.95657  ? 59  ILE A CG2 1 
ATOM   474  C CD1 . ILE A 1 62 ? 9.50694   10.92257  12.62051  1.000 24.11409  ? 59  ILE A CD1 1 
ATOM   475  N N   . HIS A 1 63 ? 10.76608  11.08105  15.86654  1.000 26.39187  ? 60  HIS A N   1 
ATOM   476  C CA  . HIS A 1 63 ? 10.81281  10.15605  16.98704  1.000 20.95892  ? 60  HIS A CA  1 
ATOM   477  C C   . HIS A 1 63 ? 10.09067  8.88579   16.56528  1.000 20.07633  ? 60  HIS A C   1 
ATOM   478  O O   . HIS A 1 63 ? 8.94452   8.95069   16.10858  1.000 22.61634  ? 60  HIS A O   1 
ATOM   479  C CB  . HIS A 1 63 ? 10.13629  10.77542  18.20929  1.000 24.82541  ? 60  HIS A CB  1 
ATOM   480  C CG  . HIS A 1 63 ? 10.81684  12.01452  18.69802  1.000 33.30720  ? 60  HIS A CG  1 
ATOM   481  N ND1 . HIS A 1 63 ? 11.72933  12.00373  19.73101  1.000 33.28540  ? 60  HIS A ND1 1 
ATOM   482  C CD2 . HIS A 1 63 ? 10.74247  13.29928  18.27452  1.000 30.55439  ? 60  HIS A CD2 1 
ATOM   483  C CE1 . HIS A 1 63 ? 12.17541  13.23096  19.93354  1.000 34.30970  ? 60  HIS A CE1 1 
ATOM   484  N NE2 . HIS A 1 63 ? 11.59338  14.03644  19.06339  1.000 35.87481  ? 60  HIS A NE2 1 
ATOM   485  N N   . ILE A 1 64 ? 10.75762  7.73889   16.70097  1.000 21.09726  ? 61  ILE A N   1 
ATOM   486  C CA  . ILE A 1 64 ? 10.23014  6.45923   16.23738  1.000 18.34321  ? 61  ILE A CA  1 
ATOM   487  C C   . ILE A 1 64 ? 10.15010  5.50151   17.41623  1.000 17.24046  ? 61  ILE A C   1 
ATOM   488  O O   . ILE A 1 64 ? 11.07659  5.43103   18.23215  1.000 21.06471  ? 61  ILE A O   1 
ATOM   489  C CB  . ILE A 1 64 ? 11.11155  5.83812   15.13142  1.000 17.54278  ? 61  ILE A CB  1 
ATOM   490  C CG1 . ILE A 1 64 ? 11.50963  6.87885   14.08734  1.000 21.92500  ? 61  ILE A CG1 1 
ATOM   491  C CG2 . ILE A 1 64 ? 10.38277  4.64803   14.51781  1.000 17.10865  ? 61  ILE A CG2 1 
ATOM   492  C CD1 . ILE A 1 64 ? 12.55728  6.36230   13.10151  1.000 21.67081  ? 61  ILE A CD1 1 
ATOM   493  N N   . ARG A 1 65 ? 9.04187   4.76278   17.50952  1.000 17.20051  ? 62  ARG A N   1 
ATOM   494  C CA  . ARG A 1 65 ? 8.91590   3.68987   18.48464  1.000 16.76358  ? 62  ARG A CA  1 
ATOM   495  C C   . ARG A 1 65 ? 8.57533   2.38225   17.78813  1.000 17.32297  ? 62  ARG A C   1 
ATOM   496  O O   . ARG A 1 65 ? 7.57475   2.30564   17.06552  1.000 17.46722  ? 62  ARG A O   1 
ATOM   497  C CB  . ARG A 1 65 ? 7.82733   4.01269   19.52328  1.000 17.95980  ? 62  ARG A CB  1 
ATOM   498  C CG  . ARG A 1 65 ? 8.07638   5.30184   20.28632  1.000 19.99468  ? 62  ARG A CG  1 
ATOM   499  C CD  . ARG A 1 65 ? 9.28387   5.16860   21.18941  1.000 21.99182  ? 62  ARG A CD  1 
ATOM   500  N NE  . ARG A 1 65 ? 9.55903   6.37542   21.96370  1.000 23.81459  ? 62  ARG A NE  1 
ATOM   501  C CZ  . ARG A 1 65 ? 10.37241  7.34535   21.56797  1.000 25.37850  ? 62  ARG A CZ  1 
ATOM   502  N NH1 . ARG A 1 65 ? 10.99898  7.28990   20.40524  1.000 22.92843  ? 62  ARG A NH1 1 
ATOM   503  N NH2 . ARG A 1 65 ? 10.55393  8.40433   22.35271  1.000 25.35843  ? 62  ARG A NH2 1 
ATOM   504  N N   . VAL A 1 66 ? 9.36420   1.34545   18.05820  1.000 17.07426  ? 63  VAL A N   1 
ATOM   505  C CA  . VAL A 1 66 ? 9.20500   0.03102   17.44475  1.000 19.01014  ? 63  VAL A CA  1 
ATOM   506  C C   . VAL A 1 66 ? 8.85993   -0.96047  18.54511  1.000 16.05454  ? 63  VAL A C   1 
ATOM   507  O O   . VAL A 1 66 ? 9.59335   -1.07856  19.53487  1.000 18.27944  ? 63  VAL A O   1 
ATOM   508  C CB  . VAL A 1 66 ? 10.47370  -0.40700  16.69448  1.000 17.64744  ? 63  VAL A CB  1 
ATOM   509  C CG1 . VAL A 1 66 ? 10.33232  -1.83790  16.18640  1.000 20.14804  ? 63  VAL A CG1 1 
ATOM   510  C CG2 . VAL A 1 66 ? 10.76658  0.54186   15.53023  1.000 20.16599  ? 63  VAL A CG2 1 
ATOM   511  N N   . TYR A 1 67 ? 7.74930   -1.65966  18.38078  1.000 15.95665  ? 64  TYR A N   1 
ATOM   512  C CA  . TYR A 1 67 ? 7.28785   -2.63050  19.36208  1.000 15.05854  ? 64  TYR A CA  1 
ATOM   513  C C   . TYR A 1 67 ? 7.59283   -4.01357  18.80265  1.000 16.37327  ? 64  TYR A C   1 
ATOM   514  O O   . TYR A 1 67 ? 6.96603   -4.45584  17.82906  1.000 17.53914  ? 64  TYR A O   1 
ATOM   515  C CB  . TYR A 1 67 ? 5.81067   -2.39550  19.70277  1.000 15.88484  ? 64  TYR A CB  1 
ATOM   516  C CG  . TYR A 1 67 ? 5.64270   -0.99499  20.25777  1.000 13.05779  ? 64  TYR A CG  1 
ATOM   517  C CD1 . TYR A 1 67 ? 5.84338   -0.73437  21.62135  1.000 14.51024  ? 64  TYR A CD1 1 
ATOM   518  C CD2 . TYR A 1 67 ? 5.38465   0.07672   19.44062  1.000 16.90549  ? 64  TYR A CD2 1 
ATOM   519  C CE1 . TYR A 1 67 ? 5.76007   0.56825   22.11745  1.000 14.01241  ? 64  TYR A CE1 1 
ATOM   520  C CE2 . TYR A 1 67 ? 5.29389   1.37077   19.93499  1.000 17.00539  ? 64  TYR A CE2 1 
ATOM   521  C CZ  . TYR A 1 67 ? 5.48126   1.60693   21.28187  1.000 21.68590  ? 64  TYR A CZ  1 
ATOM   522  O OH  . TYR A 1 67 ? 5.41058   2.89111   21.78881  1.000 20.49518  ? 64  TYR A OH  1 
ATOM   523  N N   . ALA A 1 68 ? 8.59100   -4.66484  19.39083  1.000 18.44431  ? 65  ALA A N   1 
ATOM   524  C CA  . ALA A 1 68 ? 9.10088   -5.95161  18.93993  1.000 16.51065  ? 65  ALA A CA  1 
ATOM   525  C C   . ALA A 1 68 ? 8.65418   -7.01915  19.92596  1.000 19.08850  ? 65  ALA A C   1 
ATOM   526  O O   . ALA A 1 68 ? 8.96205   -6.92862  21.12253  1.000 20.91585  ? 65  ALA A O   1 
ATOM   527  C CB  . ALA A 1 68 ? 10.62521  -5.90493  18.86254  1.000 17.73246  ? 65  ALA A CB  1 
ATOM   528  N N   . SER A 1 69 ? 7.93082   -8.02450  19.43599  1.000 19.86913  ? 66  SER A N   1 
ATOM   529  C CA  . SER A 1 69 ? 7.37867   -9.06310  20.29971  1.000 18.39489  ? 66  SER A CA  1 
ATOM   530  C C   . SER A 1 69 ? 7.97348   -10.41976 19.95265  1.000 22.11897  ? 66  SER A C   1 
ATOM   531  O O   . SER A 1 69 ? 8.11460   -10.77150 18.77677  1.000 23.70146  ? 66  SER A O   1 
ATOM   532  C CB  . SER A 1 69 ? 5.84684   -9.12867  20.21236  1.000 19.60988  ? 66  SER A CB  1 
ATOM   533  O OG  . SER A 1 69 ? 5.27527   -7.89161  20.59484  1.000 22.37559  ? 66  SER A OG  1 
ATOM   534  N N   . THR A 1 70 ? 8.33977   -11.16436 20.99573  1.000 27.57514  ? 67  THR A N   1 
ATOM   535  C CA  . THR A 1 70 ? 8.72837   -12.56566 20.89484  1.000 27.85762  ? 67  THR A CA  1 
ATOM   536  C C   . THR A 1 70 ? 8.01974   -13.26760 22.04180  1.000 27.18700  ? 67  THR A C   1 
ATOM   537  O O   . THR A 1 70 ? 8.15705   -12.85066 23.19653  1.000 33.19117  ? 67  THR A O   1 
ATOM   538  C CB  . THR A 1 70 ? 10.24866  -12.72390 21.04105  1.000 35.69833  ? 67  THR A CB  1 
ATOM   539  O OG1 . THR A 1 70 ? 10.92497  -11.82687 20.14686  1.000 37.78406  ? 67  THR A OG1 1 
ATOM   540  C CG2 . THR A 1 70 ? 10.67894  -14.15527 20.72980  1.000 35.68454  ? 67  THR A CG2 1 
ATOM   541  N N   . GLY A 1 71 ? 7.24763   -14.30399 21.73453  1.000 30.74748  ? 68  GLY A N   1 
ATOM   542  C CA  . GLY A 1 71 ? 6.40379   -14.88241 22.76818  1.000 26.39149  ? 68  GLY A CA  1 
ATOM   543  C C   . GLY A 1 71 ? 5.42667   -13.84321 23.28087  1.000 32.68690  ? 68  GLY A C   1 
ATOM   544  O O   . GLY A 1 71 ? 4.78814   -13.11859 22.50801  1.000 30.79738  ? 68  GLY A O   1 
ATOM   545  N N   . THR A 1 72 ? 5.31280   -13.74170 24.60191  1.000 29.37332  ? 69  THR A N   1 
ATOM   546  C CA  . THR A 1 72 ? 4.41137   -12.77855 25.21305  1.000 28.81433  ? 69  THR A CA  1 
ATOM   547  C C   . THR A 1 72 ? 5.13029   -11.53203 25.71300  1.000 27.51910  ? 69  THR A C   1 
ATOM   548  O O   . THR A 1 72 ? 4.54455   -10.74724 26.46711  1.000 35.96705  ? 69  THR A O   1 
ATOM   549  C CB  . THR A 1 72 ? 3.60768   -13.43232 26.33685  1.000 41.74006  ? 69  THR A CB  1 
ATOM   550  O OG1 . THR A 1 72 ? 4.50171   -14.10242 27.23328  1.000 40.04225  ? 69  THR A OG1 1 
ATOM   551  C CG2 . THR A 1 72 ? 2.61478   -14.43256 25.76230  1.000 40.24044  ? 69  THR A CG2 1 
ATOM   552  N N   . THR A 1 73 ? 6.37688   -11.32254 25.30427  1.000 29.20507  ? 70  THR A N   1 
ATOM   553  C CA  . THR A 1 73 ? 7.15917   -10.18146 25.75855  1.000 28.52921  ? 70  THR A CA  1 
ATOM   554  C C   . THR A 1 73 ? 7.34029   -9.20538  24.60395  1.000 26.62670  ? 70  THR A C   1 
ATOM   555  O O   . THR A 1 73 ? 7.94026   -9.55143  23.57918  1.000 27.77386  ? 70  THR A O   1 
ATOM   556  C CB  . THR A 1 73 ? 8.50699   -10.63241 26.32394  1.000 30.84806  ? 70  THR A CB  1 
ATOM   557  O OG1 . THR A 1 73 ? 9.17383   -11.46725 25.36986  1.000 44.94818  ? 70  THR A OG1 1 
ATOM   558  C CG2 . THR A 1 73 ? 8.29109   -11.42182 27.59759  1.000 27.82739  ? 70  THR A CG2 1 
ATOM   559  N N   . THR A 1 74 ? 6.81494   -7.99459  24.77040  1.000 21.17807  ? 71  THR A N   1 
ATOM   560  C CA  . THR A 1 74 ? 6.95861   -6.92288  23.79265  1.000 21.56162  ? 71  THR A CA  1 
ATOM   561  C C   . THR A 1 74 ? 7.96737   -5.91780  24.32496  1.000 23.90246  ? 71  THR A C   1 
ATOM   562  O O   . THR A 1 74 ? 7.81522   -5.41598  25.44503  1.000 24.06006  ? 71  THR A O   1 
ATOM   563  C CB  . THR A 1 74 ? 5.62370   -6.21452  23.56210  1.000 21.61404  ? 71  THR A CB  1 
ATOM   564  O OG1 . THR A 1 74 ? 4.66259   -7.14823  23.05716  1.000 21.18215  ? 71  THR A OG1 1 
ATOM   565  C CG2 . THR A 1 74 ? 5.79512   -5.05479  22.57748  1.000 22.45120  ? 71  THR A CG2 1 
ATOM   566  N N   . THR A 1 75 ? 8.99130   -5.62996  23.53149  1.000 21.20432  ? 72  THR A N   1 
ATOM   567  C CA  . THR A 1 75 ? 10.00089  -4.63587  23.87600  1.000 20.43697  ? 72  THR A CA  1 
ATOM   568  C C   . THR A 1 75 ? 9.84511   -3.42788  22.96935  1.000 19.61344  ? 72  THR A C   1 
ATOM   569  O O   . THR A 1 75 ? 9.76211   -3.57654  21.74311  1.000 18.67718  ? 72  THR A O   1 
ATOM   570  C CB  . THR A 1 75 ? 11.41480  -5.21169  23.73548  1.000 24.33958  ? 72  THR A CB  1 
ATOM   571  O OG1 . THR A 1 75 ? 11.54283  -6.37903  24.56384  1.000 25.39831  ? 72  THR A OG1 1 
ATOM   572  C CG2 . THR A 1 75 ? 12.46449  -4.17426  24.17032  1.000 21.61339  ? 72  THR A CG2 1 
ATOM   573  N N   . GLU A 1 76 ? 9.78142   -2.24490  23.56294  1.000 15.86873  ? 73  GLU A N   1 
ATOM   574  C CA  . GLU A 1 76 ? 9.76169   -0.98649  22.83256  1.000 17.47651  ? 73  GLU A CA  1 
ATOM   575  C C   . GLU A 1 76 ? 11.19214  -0.52444  22.62138  1.000 20.04359  ? 73  GLU A C   1 
ATOM   576  O O   . GLU A 1 76 ? 11.99288  -0.50038  23.56188  1.000 17.47440  ? 73  GLU A O   1 
ATOM   577  C CB  . GLU A 1 76 ? 9.02247   0.07606   23.64158  1.000 17.50497  ? 73  GLU A CB  1 
ATOM   578  C CG  . GLU A 1 76 ? 8.93635   1.45375   23.00590  1.000 17.96521  ? 73  GLU A CG  1 
ATOM   579  C CD  . GLU A 1 76 ? 8.33294   2.47546   23.95661  1.000 20.08820  ? 73  GLU A CD  1 
ATOM   580  O OE1 . GLU A 1 76 ? 8.78283   2.51311   25.11792  1.000 22.46661  ? 73  GLU A OE1 1 
ATOM   581  O OE2 . GLU A 1 76 ? 7.44495   3.24932   23.55490  1.000 19.60247  ? 73  GLU A OE2 1 
ATOM   582  N N   . TRP A 1 77 ? 11.49198  -0.14049  21.39485  1.000 18.39024  ? 74  TRP A N   1 
ATOM   583  C CA  . TRP A 1 77 ? 12.77112  0.43113   21.02439  1.000 15.18164  ? 74  TRP A CA  1 
ATOM   584  C C   . TRP A 1 77 ? 12.52883  1.84760   20.53559  1.000 18.72231  ? 74  TRP A C   1 
ATOM   585  O O   . TRP A 1 77 ? 11.58348  2.09799   19.77840  1.000 19.91101  ? 74  TRP A O   1 
ATOM   586  C CB  . TRP A 1 77 ? 13.40903  -0.39970  19.92894  1.000 19.40430  ? 74  TRP A CB  1 
ATOM   587  C CG  . TRP A 1 77 ? 13.79014  -1.76233  20.38529  1.000 16.61475  ? 74  TRP A CG  1 
ATOM   588  C CD1 . TRP A 1 77 ? 13.12492  -2.92020  20.14452  1.000 19.99940  ? 74  TRP A CD1 1 
ATOM   589  C CD2 . TRP A 1 77 ? 14.93313  -2.10867  21.18119  1.000 17.62920  ? 74  TRP A CD2 1 
ATOM   590  N NE1 . TRP A 1 77 ? 13.78124  -3.97559  20.72811  1.000 20.28682  ? 74  TRP A NE1 1 
ATOM   591  C CE2 . TRP A 1 77 ? 14.90249  -3.50478  21.36398  1.000 20.11403  ? 74  TRP A CE2 1 
ATOM   592  C CE3 . TRP A 1 77 ? 15.99516  -1.37790  21.72722  1.000 22.89685  ? 74  TRP A CE3 1 
ATOM   593  C CZ2 . TRP A 1 77 ? 15.87606  -4.18374  22.09753  1.000 27.62664  ? 74  TRP A CZ2 1 
ATOM   594  C CZ3 . TRP A 1 77 ? 16.96026  -2.05546  22.45493  1.000 29.70919  ? 74  TRP A CZ3 1 
ATOM   595  C CH2 . TRP A 1 77 ? 16.89397  -3.44191  22.62961  1.000 26.94132  ? 74  TRP A CH2 1 
ATOM   596  N N   . CYS A 1 78 ? 13.38301  2.76979   20.96419  1.000 18.56572  ? 75  CYS A N   1 
ATOM   597  C CA  . CYS A 1 78 ? 13.15287  4.19014   20.76681  1.000 21.52139  ? 75  CYS A CA  1 
ATOM   598  C C   . CYS A 1 78 ? 14.26510  4.79305   19.93387  1.000 19.18509  ? 75  CYS A C   1 
ATOM   599  O O   . CYS A 1 78 ? 15.44718  4.59565   20.23251  1.000 22.81044  ? 75  CYS A O   1 
ATOM   600  C CB  . CYS A 1 78 ? 13.13055  4.91201   22.10605  1.000 20.84572  ? 75  CYS A CB  1 
ATOM   601  S SG  . CYS A 1 78 ? 11.90063  4.27976   23.23773  1.000 21.61855  ? 75  CYS A SG  1 
ATOM   602  N N   . TRP A 1 79 ? 13.87956  5.58031   18.94315  1.000 23.97866  ? 76  TRP A N   1 
ATOM   603  C CA  . TRP A 1 79 ? 14.81340  6.41038   18.20941  1.000 25.04870  ? 76  TRP A CA  1 
ATOM   604  C C   . TRP A 1 79 ? 14.46753  7.86235   18.49430  1.000 26.02743  ? 76  TRP A C   1 
ATOM   605  O O   . TRP A 1 79 ? 13.38826  8.33619   18.12073  1.000 27.68028  ? 76  TRP A O   1 
ATOM   606  C CB  . TRP A 1 79 ? 14.73437  6.14651   16.71450  1.000 21.31742  ? 76  TRP A CB  1 
ATOM   607  C CG  . TRP A 1 79 ? 15.66441  7.01959   16.01457  1.000 24.64515  ? 76  TRP A CG  1 
ATOM   608  C CD1 . TRP A 1 79 ? 15.41196  8.25723   15.50225  1.000 28.68940  ? 76  TRP A CD1 1 
ATOM   609  C CD2 . TRP A 1 79 ? 17.03793  6.75402   15.78280  1.000 24.71579  ? 76  TRP A CD2 1 
ATOM   610  N NE1 . TRP A 1 79 ? 16.55428  8.76824   14.93519  1.000 27.61705  ? 76  TRP A NE1 1 
ATOM   611  C CE2 . TRP A 1 79 ? 17.56886  7.86104   15.09693  1.000 28.29115  ? 76  TRP A CE2 1 
ATOM   612  C CE3 . TRP A 1 79 ? 17.86598  5.67277   16.06624  1.000 21.43829  ? 76  TRP A CE3 1 
ATOM   613  C CZ2 . TRP A 1 79 ? 18.90472  7.92419   14.70620  1.000 25.16006  ? 76  TRP A CZ2 1 
ATOM   614  C CZ3 . TRP A 1 79 ? 19.19340  5.73511   15.67544  1.000 26.28938  ? 76  TRP A CZ3 1 
ATOM   615  C CH2 . TRP A 1 79 ? 19.69452  6.85113   15.00339  1.000 28.00899  ? 76  TRP A CH2 1 
ATOM   616  N N   . ASP A 1 80 ? 15.37881  8.55757   19.16977  1.000 28.79687  ? 77  ASP A N   1 
ATOM   617  C CA  . ASP A 1 80 ? 15.22221  9.97372   19.46868  1.000 29.99356  ? 77  ASP A CA  1 
ATOM   618  C C   . ASP A 1 80 ? 16.44445  10.76104  19.01307  1.000 36.86766  ? 77  ASP A C   1 
ATOM   619  O O   . ASP A 1 80 ? 16.77080  11.80942  19.57788  1.000 36.63561  ? 77  ASP A O   1 
ATOM   620  C CB  . ASP A 1 80 ? 14.92226  10.19095  20.94864  1.000 30.23411  ? 77  ASP A CB  1 
ATOM   621  C CG  . ASP A 1 80 ? 13.57912  9.61230   21.35086  1.000 31.45133  ? 77  ASP A CG  1 
ATOM   622  O OD1 . ASP A 1 80 ? 12.54478  10.05884  20.79709  1.000 26.17285  ? 77  ASP A OD1 1 
ATOM   623  O OD2 . ASP A 1 80 ? 13.56235  8.69612   22.20024  1.000 31.88575  ? 77  ASP A OD2 1 
ATOM   624  N N   . GLY A 1 81 ? 17.13065  10.25840  17.99500  1.000 29.94720  ? 78  GLY A N   1 
ATOM   625  C CA  . GLY A 1 81 ? 18.21467  10.97237  17.35426  1.000 39.06644  ? 78  GLY A CA  1 
ATOM   626  C C   . GLY A 1 81 ? 19.59815  10.42750  17.62681  1.000 32.46005  ? 78  GLY A C   1 
ATOM   627  O O   . GLY A 1 81 ? 20.53451  10.79550  16.90540  1.000 41.38307  ? 78  GLY A O   1 
ATOM   628  N N   . ASN A 1 82 ? 19.77193  9.56190   18.62737  1.000 36.63555  ? 79  ASN A N   1 
ATOM   629  C CA  . ASN A 1 82 ? 21.10452  9.14475   19.06024  1.000 33.57698  ? 79  ASN A CA  1 
ATOM   630  C C   . ASN A 1 82 ? 21.13406  7.65307   19.40481  1.000 30.63788  ? 79  ASN A C   1 
ATOM   631  O O   . ASN A 1 82 ? 21.53303  7.23862   20.49089  1.000 38.58117  ? 79  ASN A O   1 
ATOM   632  C CB  . ASN A 1 82 ? 21.58195  9.99684   20.23661  1.000 41.95038  ? 79  ASN A CB  1 
ATOM   633  C CG  . ASN A 1 82 ? 21.48318  11.48323  19.95774  1.000 44.27130  ? 79  ASN A CG  1 
ATOM   634  O OD1 . ASN A 1 82 ? 20.67654  12.18790  20.56799  1.000 54.65882  ? 79  ASN A OD1 1 
ATOM   635  N ND2 . ASN A 1 82 ? 22.29848  11.96773  19.02664  1.000 51.63173  ? 79  ASN A ND2 1 
ATOM   636  N N   . GLY A 1 83 ? 20.72251  6.81910   18.45869  1.000 29.18657  ? 80  GLY A N   1 
ATOM   637  C CA  . GLY A 1 83 ? 20.77340  5.38631   18.64968  1.000 25.95227  ? 80  GLY A CA  1 
ATOM   638  C C   . GLY A 1 83 ? 19.47013  4.82659   19.19531  1.000 27.44800  ? 80  GLY A C   1 
ATOM   639  O O   . GLY A 1 83 ? 18.63751  5.53277   19.76217  1.000 34.02425  ? 80  GLY A O   1 
ATOM   640  N N   . TRP A 1 84 ? 19.31175  3.51848   19.03375  1.000 21.94527  ? 81  TRP A N   1 
ATOM   641  C CA  . TRP A 1 84 ? 18.10632  2.82924   19.47576  1.000 19.61980  ? 81  TRP A CA  1 
ATOM   642  C C   . TRP A 1 84 ? 18.27657  2.44557   20.93639  1.000 20.53034  ? 81  TRP A C   1 
ATOM   643  O O   . TRP A 1 84 ? 19.20435  1.70478   21.28222  1.000 25.50291  ? 81  TRP A O   1 
ATOM   644  C CB  . TRP A 1 84 ? 17.87335  1.58264   18.62550  1.000 22.79537  ? 81  TRP A CB  1 
ATOM   645  C CG  . TRP A 1 84 ? 17.40798  1.90964   17.25401  1.000 21.04414  ? 81  TRP A CG  1 
ATOM   646  C CD1 . TRP A 1 84 ? 18.17686  2.03337   16.13385  1.000 18.84834  ? 81  TRP A CD1 1 
ATOM   647  C CD2 . TRP A 1 84 ? 16.06366  2.18636   16.85692  1.000 18.31539  ? 81  TRP A CD2 1 
ATOM   648  N NE1 . TRP A 1 84 ? 17.38038  2.35059   15.05399  1.000 16.94987  ? 81  TRP A NE1 1 
ATOM   649  C CE2 . TRP A 1 84 ? 16.07909  2.45214   15.47286  1.000 19.89816  ? 81  TRP A CE2 1 
ATOM   650  C CE3 . TRP A 1 84 ? 14.84115  2.21802   17.53434  1.000 20.31151  ? 81  TRP A CE3 1 
ATOM   651  C CZ2 . TRP A 1 84 ? 14.92439  2.75606   14.75692  1.000 19.62460  ? 81  TRP A CZ2 1 
ATOM   652  C CZ3 . TRP A 1 84 ? 13.69584  2.51606   16.81844  1.000 17.92411  ? 81  TRP A CZ3 1 
ATOM   653  C CH2 . TRP A 1 84 ? 13.74408  2.77877   15.44453  1.000 20.63312  ? 81  TRP A CH2 1 
ATOM   654  N N   . THR A 1 85 ? 17.37054  2.93125   21.78236  1.000 21.18723  ? 82  THR A N   1 
ATOM   655  C CA  . THR A 1 85 ? 17.38735  2.62445   23.20397  1.000 23.62386  ? 82  THR A CA  1 
ATOM   656  C C   . THR A 1 85 ? 16.09578  1.92378   23.58709  1.000 26.92934  ? 82  THR A C   1 
ATOM   657  O O   . THR A 1 85 ? 15.02912  2.22642   23.04230  1.000 21.64466  ? 82  THR A O   1 
ATOM   658  C CB  . THR A 1 85 ? 17.54737  3.89389   24.05935  1.000 31.99940  ? 82  THR A CB  1 
ATOM   659  O OG1 . THR A 1 85 ? 16.44282  4.78053   23.83091  1.000 36.79573  ? 82  THR A OG1 1 
ATOM   660  C CG2 . THR A 1 85 ? 18.84450  4.61244   23.71435  1.000 34.50799  ? 82  THR A CG2 1 
ATOM   661  N N   . LYS A 1 86 ? 16.19586  0.97943   24.51673  1.000 20.35445  ? 83  LYS A N   1 
ATOM   662  C CA  . LYS A 1 86 ? 14.99547  0.34304   25.04468  1.000 24.14252  ? 83  LYS A CA  1 
ATOM   663  C C   . LYS A 1 86 ? 14.12664  1.35725   25.78071  1.000 23.09757  ? 83  LYS A C   1 
ATOM   664  O O   . LYS A 1 86 ? 14.61068  2.13462   26.60896  1.000 25.01140  ? 83  LYS A O   1 
ATOM   665  C CB  . LYS A 1 86 ? 15.35771  -0.80289  25.98856  1.000 20.77844  ? 83  LYS A CB  1 
ATOM   666  C CG  . LYS A 1 86 ? 14.15597  -1.45291  26.62840  1.000 24.36636  ? 83  LYS A CG  1 
ATOM   667  C CD  . LYS A 1 86 ? 14.55549  -2.52262  27.63120  1.000 27.09529  ? 83  LYS A CD  1 
ATOM   668  C CE  . LYS A 1 86 ? 13.32699  -3.17471  28.25071  1.000 31.43418  ? 83  LYS A CE  1 
ATOM   669  N NZ  . LYS A 1 86 ? 13.67771  -4.16978  29.30114  1.000 24.72514  ? 83  LYS A NZ  1 
ATOM   670  N N   . GLY A 1 87 ? 12.82964  1.32868   25.49032  1.000 20.71466  ? 84  GLY A N   1 
ATOM   671  C CA  . GLY A 1 87 ? 11.89949  2.23805   26.11387  1.000 26.06385  ? 84  GLY A CA  1 
ATOM   672  C C   . GLY A 1 87 ? 11.26669  1.67859   27.37422  1.000 20.14759  ? 84  GLY A C   1 
ATOM   673  O O   . GLY A 1 87 ? 11.45301  0.51879   27.75835  1.000 19.55237  ? 84  GLY A O   1 
ATOM   674  N N   . ALA A 1 88 ? 10.46720  2.54187   28.01241  1.000 24.74850  ? 85  ALA A N   1 
ATOM   675  C CA  . ALA A 1 88 ? 9.77683   2.20679   29.25140  1.000 23.07422  ? 85  ALA A CA  1 
ATOM   676  C C   . ALA A 1 88 ? 8.55806   1.31014   29.05828  1.000 24.35050  ? 85  ALA A C   1 
ATOM   677  O O   . ALA A 1 88 ? 7.98300   0.87492   30.06048  1.000 21.84382  ? 85  ALA A O   1 
ATOM   678  C CB  . ALA A 1 88 ? 9.33306   3.49223   29.94796  1.000 30.00843  ? 85  ALA A CB  1 
ATOM   679  N N   . TYR A 1 89 ? 8.13422   1.02940   27.82425  1.000 22.86946  ? 86  TYR A N   1 
ATOM   680  C CA  . TYR A 1 89 ? 6.93162   0.22244   27.63798  1.000 19.72690  ? 86  TYR A CA  1 
ATOM   681  C C   . TYR A 1 89 ? 7.06456   -1.13036  28.31381  1.000 18.10397  ? 86  TYR A C   1 
ATOM   682  O O   . TYR A 1 89 ? 8.07841   -1.81849  28.17223  1.000 19.60227  ? 86  TYR A O   1 
ATOM   683  C CB  . TYR A 1 89 ? 6.66357   -0.01545  26.15386  1.000 16.90882  ? 86  TYR A CB  1 
ATOM   684  C CG  . TYR A 1 89 ? 5.47702   -0.94085  25.89094  1.000 17.36323  ? 86  TYR A CG  1 
ATOM   685  C CD1 . TYR A 1 89 ? 5.64619   -2.32631  25.78588  1.000 16.01499  ? 86  TYR A CD1 1 
ATOM   686  C CD2 . TYR A 1 89 ? 4.19831   -0.43224  25.73908  1.000 17.04810  ? 86  TYR A CD2 1 
ATOM   687  C CE1 . TYR A 1 89 ? 4.57528   -3.16266  25.55028  1.000 22.01352  ? 86  TYR A CE1 1 
ATOM   688  C CE2 . TYR A 1 89 ? 3.12173   -1.26845  25.50823  1.000 17.06804  ? 86  TYR A CE2 1 
ATOM   689  C CZ  . TYR A 1 89 ? 3.31251   -2.63219  25.40863  1.000 17.08471  ? 86  TYR A CZ  1 
ATOM   690  O OH  . TYR A 1 89 ? 2.23857   -3.46032  25.15780  1.000 21.10253  ? 86  TYR A OH  1 
ATOM   691  N N   . THR A 1 90 ? 6.03642   -1.49004  29.07351  1.000 20.53571  ? 87  THR A N   1 
ATOM   692  C CA  . THR A 1 90 ? 5.87163   -2.83239  29.59135  1.000 18.70031  ? 87  THR A CA  1 
ATOM   693  C C   . THR A 1 90 ? 4.41791   -3.24513  29.41479  1.000 20.72539  ? 87  THR A C   1 
ATOM   694  O O   . THR A 1 90 ? 3.52414   -2.40214  29.34264  1.000 21.44683  ? 87  THR A O   1 
ATOM   695  C CB  . THR A 1 90 ? 6.21609   -2.87570  31.09388  1.000 22.09668  ? 87  THR A CB  1 
ATOM   696  O OG1 . THR A 1 90 ? 5.37951   -1.94694  31.80282  1.000 22.29274  ? 87  THR A OG1 1 
ATOM   697  C CG2 . THR A 1 90 ? 7.67294   -2.52121  31.34007  1.000 27.74901  ? 87  THR A CG2 1 
ATOM   698  N N   . ALA A 1 91 ? 4.20026   -4.55121  29.30941  1.000 23.27069  ? 88  ALA A N   1 
ATOM   699  C CA  . ALA A 1 91 ? 2.87537   -5.13643  29.39181  1.000 31.36367  ? 88  ALA A CA  1 
ATOM   700  C C   . ALA A 1 91 ? 2.98507   -6.42977  30.18142  1.000 43.91731  ? 88  ALA A C   1 
ATOM   701  O O   . ALA A 1 91 ? 4.07454   -6.98099  30.35823  1.000 55.39729  ? 88  ALA A O   1 
ATOM   702  C CB  . ALA A 1 91 ? 2.28930   -5.41501  28.00560  1.000 29.82766  ? 88  ALA A CB  1 
ATOM   703  N N   . THR A 1 92 ? 1.84620   -6.90551  30.67105  1.000 43.02277  ? 89  THR A N   1 
ATOM   704  C CA  . THR A 1 92 ? 1.76140   -8.20788  31.32666  1.000 52.02473  ? 89  THR A CA  1 
ATOM   705  C C   . THR A 1 92 ? 0.87984   -9.09322  30.44780  1.000 54.79501  ? 89  THR A C   1 
ATOM   706  O O   . THR A 1 92 ? -0.33941  -9.15415  30.62532  1.000 52.26751  ? 89  THR A O   1 
ATOM   707  C CB  . THR A 1 92 ? 1.23369   -8.08305  32.76077  1.000 58.44989  ? 89  THR A CB  1 
ATOM   708  O OG1 . THR A 1 92 ? 2.08907   -7.20818  33.50920  1.000 49.13179  ? 89  THR A OG1 1 
ATOM   709  C CG2 . THR A 1 92 ? 1.20747   -9.44623  33.43743  1.000 56.89697  ? 89  THR A CG2 1 
ATOM   710  N N   . ASN A 1 93 ? 1.50689   -9.76510  29.48508  1.000 49.69988  ? 90  ASN A N   1 
ATOM   711  C CA  . ASN A 1 93 ? 0.80144   -10.66106 28.57454  1.000 56.15900  ? 90  ASN A CA  1 
ATOM   712  C C   . ASN A 1 93 ? 0.89305   -12.10615 29.06091  1.000 54.88105  ? 90  ASN A C   1 
ATOM   713  O O   . ASN A 1 93 ? 0.15088   -12.97735 28.60296  1.000 54.48998  ? 90  ASN A O   1 
ATOM   714  C CB  . ASN A 1 93 ? 1.37416   -10.54672 27.15643  1.000 48.28849  ? 90  ASN A CB  1 
ATOM   715  C CG  . ASN A 1 93 ? 1.24616   -9.14601  26.58347  1.000 43.79434  ? 90  ASN A CG  1 
ATOM   716  O OD1 . ASN A 1 93 ? 0.24136   -8.46579  26.79301  1.000 39.48920  ? 90  ASN A OD1 1 
ATOM   717  N ND2 . ASN A 1 93 ? 2.27026   -8.70721  25.85553  1.000 38.02421  ? 90  ASN A ND2 1 
ATOM   718  N N   . ALA B 1 4  ? 3.07646   -17.51323 17.01551  1.000 49.60050  ? 1   ALA B N   1 
ATOM   719  C CA  . ALA B 1 4  ? 4.40748   -17.69282 17.58811  1.000 55.36305  ? 1   ALA B CA  1 
ATOM   720  C C   . ALA B 1 4  ? 4.69182   -16.64280 18.65751  1.000 50.18835  ? 1   ALA B C   1 
ATOM   721  O O   . ALA B 1 4  ? 5.67480   -16.74112 19.39557  1.000 49.60516  ? 1   ALA B O   1 
ATOM   722  C CB  . ALA B 1 4  ? 5.46457   -17.63621 16.49407  1.000 44.39967  ? 1   ALA B CB  1 
ATOM   723  N N   . SER B 1 5  ? 3.82240   -15.64107 18.73736  1.000 39.51726  ? 2   SER B N   1 
ATOM   724  C CA  . SER B 1 5  ? 4.01068   -14.50982 19.63426  1.000 31.98704  ? 2   SER B CA  1 
ATOM   725  C C   . SER B 1 5  ? 2.71064   -13.71909 19.66673  1.000 28.25007  ? 2   SER B C   1 
ATOM   726  O O   . SER B 1 5  ? 1.81008   -13.92841 18.84981  1.000 29.17178  ? 2   SER B O   1 
ATOM   727  C CB  . SER B 1 5  ? 5.15665   -13.61430 19.16295  1.000 32.94493  ? 2   SER B CB  1 
ATOM   728  O OG  . SER B 1 5  ? 4.88807   -13.07060 17.87737  1.000 35.16758  ? 2   SER B OG  1 
ATOM   729  N N   . VAL B 1 6  ? 2.62310   -12.79622 20.62515  1.000 24.43874  ? 3   VAL B N   1 
ATOM   730  C CA  . VAL B 1 6  ? 1.54784   -11.83125 20.57317  1.000 23.40130  ? 3   VAL B CA  1 
ATOM   731  C C   . VAL B 1 6  ? 1.74072   -10.94217 19.34146  1.000 21.44327  ? 3   VAL B C   1 
ATOM   732  O O   . VAL B 1 6  ? 2.84683   -10.79814 18.80225  1.000 24.75176  ? 3   VAL B O   1 
ATOM   733  C CB  . VAL B 1 6  ? 1.49773   -10.99847 21.86177  1.000 23.84283  ? 3   VAL B CB  1 
ATOM   734  C CG1 . VAL B 1 6  ? 1.28168   -11.90798 23.07004  1.000 25.91132  ? 3   VAL B CG1 1 
ATOM   735  C CG2 . VAL B 1 6  ? 2.78257   -10.20948 22.02136  1.000 25.10593  ? 3   VAL B CG2 1 
ATOM   736  N N   A GLN B 1 7  ? 0.65040   -10.31557 18.91562  0.484 22.09486  ? 4   GLN B N   1 
ATOM   737  N N   B GLN B 1 7  ? 0.63585   -10.37669 18.87116  0.516 22.11428  ? 4   GLN B N   1 
ATOM   738  C CA  A GLN B 1 7  ? 0.63554   -9.46103  17.73762  0.484 20.44638  ? 4   GLN B CA  1 
ATOM   739  C CA  B GLN B 1 7  ? 0.63252   -9.45617  17.74534  0.516 20.41763  ? 4   GLN B CA  1 
ATOM   740  C C   A GLN B 1 7  ? 0.18405   -8.07324  18.16865  0.484 22.02782  ? 4   GLN B C   1 
ATOM   741  C C   B GLN B 1 7  ? 0.25856   -8.07914  18.27038  0.516 22.07817  ? 4   GLN B C   1 
ATOM   742  O O   A GLN B 1 7  ? -0.83733  -7.93877  18.85182  0.484 21.13799  ? 4   GLN B O   1 
ATOM   743  O O   B GLN B 1 7  ? -0.62899  -7.95427  19.12074  0.516 21.95181  ? 4   GLN B O   1 
ATOM   744  C CB  A GLN B 1 7  ? -0.32470  -10.04615 16.70145  0.484 25.86498  ? 4   GLN B CB  1 
ATOM   745  C CB  B GLN B 1 7  ? -0.38902  -9.90096  16.69547  0.516 25.74925  ? 4   GLN B CB  1 
ATOM   746  C CG  A GLN B 1 7  ? -0.27102  -9.39794  15.34330  0.484 22.88138  ? 4   GLN B CG  1 
ATOM   747  C CG  B GLN B 1 7  ? -0.27155  -11.36767 16.29450  0.516 25.13722  ? 4   GLN B CG  1 
ATOM   748  C CD  A GLN B 1 7  ? -1.52715  -8.62148  15.03919  0.484 24.69819  ? 4   GLN B CD  1 
ATOM   749  C CD  B GLN B 1 7  ? 0.66772   -11.59239 15.12972  0.516 31.40590  ? 4   GLN B CD  1 
ATOM   750  O OE1 A GLN B 1 7  ? -2.42637  -8.54400  15.86924  0.484 23.97825  ? 4   GLN B OE1 1 
ATOM   751  O OE1 B GLN B 1 7  ? 0.51492   -10.98736 14.07135  0.516 31.04264  ? 4   GLN B OE1 1 
ATOM   752  N NE2 A GLN B 1 7  ? -1.60640  -8.05568  13.83905  0.484 21.74432  ? 4   GLN B NE2 1 
ATOM   753  N NE2 B GLN B 1 7  ? 1.65003   -12.46795 15.31973  0.516 33.20902  ? 4   GLN B NE2 1 
ATOM   754  N N   . THR B 1 8  ? 0.94571   -7.04618  17.79004  1.000 17.14528  ? 5   THR B N   1 
ATOM   755  C CA  . THR B 1 8  ? 0.70940   -5.69231  18.27764  1.000 18.72811  ? 5   THR B CA  1 
ATOM   756  C C   . THR B 1 8  ? 0.40978   -4.72832  17.14024  1.000 17.04178  ? 5   THR B C   1 
ATOM   757  O O   . THR B 1 8  ? 0.71848   -4.98778  15.96977  1.000 19.11201  ? 5   THR B O   1 
ATOM   758  C CB  . THR B 1 8  ? 1.86021   -5.12922  19.14503  1.000 17.54850  ? 5   THR B CB  1 
ATOM   759  O OG1 . THR B 1 8  ? 2.98134   -4.80339  18.31446  1.000 19.33980  ? 5   THR B OG1 1 
ATOM   760  C CG2 . THR B 1 8  ? 2.29257   -6.12710  20.21121  1.000 18.59908  ? 5   THR B CG2 1 
ATOM   761  N N   . ALA B 1 9  ? -0.18998  -3.59950  17.51532  1.000 16.63951  ? 6   ALA B N   1 
ATOM   762  C CA  . ALA B 1 9  ? -0.39480  -2.45981  16.63565  1.000 17.13330  ? 6   ALA B CA  1 
ATOM   763  C C   . ALA B 1 9  ? -0.25833  -1.20438  17.48152  1.000 17.24845  ? 6   ALA B C   1 
ATOM   764  O O   . ALA B 1 9  ? -0.63667  -1.19940  18.65323  1.000 19.11686  ? 6   ALA B O   1 
ATOM   765  C CB  . ALA B 1 9  ? -1.79440  -2.49642  16.00392  1.000 18.70794  ? 6   ALA B CB  1 
ATOM   766  N N   . ALA B 1 10 ? 0.26513   -0.13204  16.89133  1.000 16.41647  ? 7   ALA B N   1 
ATOM   767  C CA  . ALA B 1 10 ? 0.55980   1.09148   17.62920  1.000 13.30616  ? 7   ALA B CA  1 
ATOM   768  C C   . ALA B 1 10 ? 0.12838   2.32482   16.85940  1.000 19.00272  ? 7   ALA B C   1 
ATOM   769  O O   . ALA B 1 10 ? 0.22224   2.36277   15.62502  1.000 17.44216  ? 7   ALA B O   1 
ATOM   770  C CB  . ALA B 1 10 ? 2.05455   1.20002   17.93124  1.000 16.91757  ? 7   ALA B CB  1 
ATOM   771  N N   . THR B 1 11 ? -0.35864  3.32515   17.59091  1.000 17.55545  ? 8   THR B N   1 
ATOM   772  C CA  . THR B 1 11 ? -0.65016  4.63190   17.03157  1.000 17.81842  ? 8   THR B CA  1 
ATOM   773  C C   . THR B 1 11 ? -0.19365  5.69264   18.02813  1.000 18.06557  ? 8   THR B C   1 
ATOM   774  O O   . THR B 1 11 ? 0.00684   5.41461   19.21585  1.000 19.43671  ? 8   THR B O   1 
ATOM   775  C CB  . THR B 1 11 ? -2.13991  4.78149   16.68675  1.000 17.34520  ? 8   THR B CB  1 
ATOM   776  O OG1 . THR B 1 11 ? -2.34190  5.97389   15.91106  1.000 20.68064  ? 8   THR B OG1 1 
ATOM   777  C CG2 . THR B 1 11 ? -2.98683  4.83545   17.96653  1.000 18.09726  ? 8   THR B CG2 1 
ATOM   778  N N   . SER B 1 12 ? -0.03770  6.91920   17.53603  1.000 19.28515  ? 9   SER B N   1 
ATOM   779  C CA  . SER B 1 12 ? 0.37785   8.01889   18.39293  1.000 20.18946  ? 9   SER B CA  1 
ATOM   780  C C   . SER B 1 12 ? -0.18655  9.31744   17.84275  1.000 18.62539  ? 9   SER B C   1 
ATOM   781  O O   . SER B 1 12 ? -0.49778  9.43067   16.65343  1.000 22.07191  ? 9   SER B O   1 
ATOM   782  C CB  . SER B 1 12 ? 1.90595   8.09776   18.53496  1.000 18.73995  ? 9   SER B CB  1 
ATOM   783  O OG  . SER B 1 12 ? 2.53651   8.31232   17.27328  1.000 19.78674  ? 9   SER B OG  1 
ATOM   784  N N   . TRP B 1 13 ? -0.32559  10.30864  18.72138  1.000 23.86757  ? 10  TRP B N   1 
ATOM   785  C CA  . TRP B 1 13 ? -0.83521  11.59860  18.28365  1.000 24.53610  ? 10  TRP B CA  1 
ATOM   786  C C   . TRP B 1 13 ? -0.21723  12.71132  19.11391  1.000 24.96161  ? 10  TRP B C   1 
ATOM   787  O O   . TRP B 1 13 ? 0.20134   12.49764  20.25689  1.000 24.82631  ? 10  TRP B O   1 
ATOM   788  C CB  . TRP B 1 13 ? -2.37022  11.67064  18.32686  1.000 27.92537  ? 10  TRP B CB  1 
ATOM   789  C CG  . TRP B 1 13 ? -3.00970  11.48464  19.68830  1.000 22.45796  ? 10  TRP B CG  1 
ATOM   790  C CD1 . TRP B 1 13 ? -3.29907  12.46088  20.61417  1.000 23.54948  ? 10  TRP B CD1 1 
ATOM   791  C CD2 . TRP B 1 13 ? -3.48812  10.25520  20.24903  1.000 20.95301  ? 10  TRP B CD2 1 
ATOM   792  N NE1 . TRP B 1 13 ? -3.91083  11.90785  21.70845  1.000 24.40693  ? 10  TRP B NE1 1 
ATOM   793  C CE2 . TRP B 1 13 ? -4.05103  10.55994  21.50968  1.000 24.21323  ? 10  TRP B CE2 1 
ATOM   794  C CE3 . TRP B 1 13 ? -3.50461  8.92772   19.80650  1.000 19.34712  ? 10  TRP B CE3 1 
ATOM   795  C CZ2 . TRP B 1 13 ? -4.59709  9.58471   22.33822  1.000 21.69052  ? 10  TRP B CZ2 1 
ATOM   796  C CZ3 . TRP B 1 13 ? -4.05197  7.96349   20.63017  1.000 23.89633  ? 10  TRP B CZ3 1 
ATOM   797  C CH2 . TRP B 1 13 ? -4.59600  8.29835   21.88276  1.000 21.94155  ? 10  TRP B CH2 1 
ATOM   798  N N   . GLY B 1 14 ? -0.15505  13.90196  18.51844  1.000 23.76001  ? 11  GLY B N   1 
ATOM   799  C CA  . GLY B 1 14 ? 0.33551   15.06590  19.21981  1.000 33.78287  ? 11  GLY B CA  1 
ATOM   800  C C   . GLY B 1 14 ? 1.84855   15.08171  19.33052  1.000 31.51417  ? 11  GLY B C   1 
ATOM   801  O O   . GLY B 1 14 ? 2.56970   14.33230  18.66549  1.000 31.07686  ? 11  GLY B O   1 
ATOM   802  N N   . THR B 1 15 ? 2.33448   15.97333  20.19468  1.000 32.84821  ? 12  THR B N   1 
ATOM   803  C CA  . THR B 1 15 ? 3.76532   16.10874  20.42380  1.000 35.08695  ? 12  THR B CA  1 
ATOM   804  C C   . THR B 1 15 ? 4.20332   15.67811  21.81493  1.000 28.90696  ? 12  THR B C   1 
ATOM   805  O O   . THR B 1 15 ? 5.41140   15.62761  22.06764  1.000 32.97514  ? 12  THR B O   1 
ATOM   806  C CB  . THR B 1 15 ? 4.23968   17.54986  20.16363  1.000 35.90424  ? 12  THR B CB  1 
ATOM   807  O OG1 . THR B 1 15 ? 3.59929   18.44377  21.08392  1.000 31.53575  ? 12  THR B OG1 1 
ATOM   808  C CG2 . THR B 1 15 ? 3.93191   17.97359  18.72535  1.000 36.67801  ? 12  THR B CG2 1 
ATOM   809  N N   . VAL B 1 16 ? 3.26404   15.37930  22.71966  1.000 29.31245  ? 13  VAL B N   1 
ATOM   810  C CA  . VAL B 1 16 ? 3.64087   14.83634  24.02645  1.000 29.41140  ? 13  VAL B CA  1 
ATOM   811  C C   . VAL B 1 16 ? 4.53198   13.60104  23.91430  1.000 28.50821  ? 13  VAL B C   1 
ATOM   812  O O   . VAL B 1 16 ? 5.59041   13.57439  24.55355  1.000 28.58051  ? 13  VAL B O   1 
ATOM   813  C CB  . VAL B 1 16 ? 2.39832   14.62972  24.90795  1.000 28.10688  ? 13  VAL B CB  1 
ATOM   814  C CG1 . VAL B 1 16 ? 2.79958   14.02460  26.25399  1.000 27.64773  ? 13  VAL B CG1 1 
ATOM   815  C CG2 . VAL B 1 16 ? 1.65876   15.94461  25.10914  1.000 33.70594  ? 13  VAL B CG2 1 
ATOM   816  N N   . PRO B 1 17 ? 4.17474   12.55703  23.14291  1.000 28.24772  ? 14  PRO B N   1 
ATOM   817  C CA  . PRO B 1 17 ? 2.91180   12.32056  22.44384  1.000 24.58732  ? 14  PRO B CA  1 
ATOM   818  C C   . PRO B 1 17 ? 2.04120   11.44614  23.32030  1.000 24.51228  ? 14  PRO B C   1 
ATOM   819  O O   . PRO B 1 17 ? 2.48640   10.99081  24.37547  1.000 24.03357  ? 14  PRO B O   1 
ATOM   820  C CB  . PRO B 1 17 ? 3.36640   11.50960  21.23015  1.000 25.86281  ? 14  PRO B CB  1 
ATOM   821  C CG  . PRO B 1 17 ? 4.40790   10.60750  21.83149  1.000 24.38767  ? 14  PRO B CG  1 
ATOM   822  C CD  . PRO B 1 17 ? 5.15502   11.50136  22.81914  1.000 22.95671  ? 14  PRO B CD  1 
ATOM   823  N N   . SER B 1 18 ? 0.79111   11.20672  22.94035  1.000 20.26375  ? 15  SER B N   1 
ATOM   824  C CA  . SER B 1 18 ? 0.07275   10.04900  23.42767  1.000 21.30857  ? 15  SER B CA  1 
ATOM   825  C C   . SER B 1 18 ? 0.35923   8.88837   22.48784  1.000 19.17422  ? 15  SER B C   1 
ATOM   826  O O   . SER B 1 18 ? 0.42794   9.06803   21.26600  1.000 20.62864  ? 15  SER B O   1 
ATOM   827  C CB  . SER B 1 18 ? -1.42982  10.31654  23.46306  1.000 24.76084  ? 15  SER B CB  1 
ATOM   828  O OG  . SER B 1 18 ? -1.75391  11.19442  24.53125  1.000 24.95112  ? 15  SER B OG  1 
ATOM   829  N N   . ILE B 1 19 ? 0.53420   7.70532   23.05967  1.000 18.24553  ? 16  ILE B N   1 
ATOM   830  C CA  . ILE B 1 19 ? 0.73113   6.47521   22.30494  1.000 17.30562  ? 16  ILE B CA  1 
ATOM   831  C C   . ILE B 1 19 ? -0.27822  5.46353   22.82728  1.000 21.53853  ? 16  ILE B C   1 
ATOM   832  O O   . ILE B 1 19 ? -0.55915  5.42036   24.03398  1.000 18.57977  ? 16  ILE B O   1 
ATOM   833  C CB  . ILE B 1 19 ? 2.15483   5.91442   22.50234  1.000 17.70525  ? 16  ILE B CB  1 
ATOM   834  C CG1 . ILE B 1 19 ? 3.20241   7.02576   22.40194  1.000 19.11299  ? 16  ILE B CG1 1 
ATOM   835  C CG2 . ILE B 1 19 ? 2.40257   4.75263   21.53190  1.000 16.48716  ? 16  ILE B CG2 1 
ATOM   836  C CD1 . ILE B 1 19 ? 4.61408   6.55376   22.68457  1.000 21.28132  ? 16  ILE B CD1 1 
ATOM   837  N N   . ARG B 1 20 ? -0.83307  4.65586   21.92384  1.000 17.67599  ? 17  ARG B N   1 
ATOM   838  C CA  . ARG B 1 20 ? -1.64190  3.51007   22.30270  1.000 21.32763  ? 17  ARG B CA  1 
ATOM   839  C C   . ARG B 1 20 ? -1.06059  2.27876   21.62695  1.000 18.07948  ? 17  ARG B C   1 
ATOM   840  O O   . ARG B 1 20 ? -0.78173  2.30244   20.42273  1.000 18.28555  ? 17  ARG B O   1 
ATOM   841  C CB  . ARG B 1 20 ? -3.10362  3.71530   21.89428  1.000 19.41454  ? 17  ARG B CB  1 
ATOM   842  C CG  . ARG B 1 20 ? -3.78418  4.90837   22.56164  1.000 18.40056  ? 17  ARG B CG  1 
ATOM   843  C CD  . ARG B 1 20 ? -3.93181  4.70527   24.07199  1.000 19.96726  ? 17  ARG B CD  1 
ATOM   844  N NE  . ARG B 1 20 ? -4.62530  5.81229   24.72428  1.000 20.31534  ? 17  ARG B NE  1 
ATOM   845  C CZ  . ARG B 1 20 ? -4.02162  6.88385   25.21927  1.000 19.99024  ? 17  ARG B CZ  1 
ATOM   846  N NH1 . ARG B 1 20 ? -2.70703  7.03180   25.15068  1.000 20.12922  ? 17  ARG B NH1 1 
ATOM   847  N NH2 . ARG B 1 20 ? -4.75211  7.81893   25.82644  1.000 22.40151  ? 17  ARG B NH2 1 
ATOM   848  N N   . VAL B 1 21 ? -0.86320  1.21553   22.39637  1.000 16.57557  ? 18  VAL B N   1 
ATOM   849  C CA  . VAL B 1 21 ? -0.32290  -0.04612  21.90286  1.000 16.22722  ? 18  VAL B CA  1 
ATOM   850  C C   . VAL B 1 21 ? -1.34364  -1.13281  22.18988  1.000 16.18258  ? 18  VAL B C   1 
ATOM   851  O O   . VAL B 1 21 ? -1.71910  -1.34214  23.35150  1.000 17.75830  ? 18  VAL B O   1 
ATOM   852  C CB  . VAL B 1 21 ? 1.04258   -0.37993  22.52910  1.000 17.47509  ? 18  VAL B CB  1 
ATOM   853  C CG1 . VAL B 1 21 ? 1.56391   -1.73654  22.01329  1.000 18.58481  ? 18  VAL B CG1 1 
ATOM   854  C CG2 . VAL B 1 21 ? 2.05092   0.70909   22.22668  1.000 17.34607  ? 18  VAL B CG2 1 
ATOM   855  N N   . TYR B 1 22 ? -1.80602  -1.80458  21.13771  1.000 17.82253  ? 19  TYR B N   1 
ATOM   856  C CA  . TYR B 1 22 ? -2.80983  -2.85287  21.22796  1.000 17.84244  ? 19  TYR B CA  1 
ATOM   857  C C   . TYR B 1 22 ? -2.13213  -4.19756  21.04609  1.000 16.34196  ? 19  TYR B C   1 
ATOM   858  O O   . TYR B 1 22 ? -1.31587  -4.36731  20.13760  1.000 17.31809  ? 19  TYR B O   1 
ATOM   859  C CB  . TYR B 1 22 ? -3.90419  -2.64504  20.16115  1.000 15.74033  ? 19  TYR B CB  1 
ATOM   860  C CG  . TYR B 1 22 ? -4.55537  -1.31603  20.36780  1.000 17.23414  ? 19  TYR B CG  1 
ATOM   861  C CD1 . TYR B 1 22 ? -4.01993  -0.16966  19.81322  1.000 14.54695  ? 19  TYR B CD1 1 
ATOM   862  C CD2 . TYR B 1 22 ? -5.67273  -1.18657  21.19800  1.000 15.14946  ? 19  TYR B CD2 1 
ATOM   863  C CE1 . TYR B 1 22 ? -4.56431  1.06076   20.04066  1.000 16.98404  ? 19  TYR B CE1 1 
ATOM   864  C CE2 . TYR B 1 22 ? -6.22741  0.06073   21.44468  1.000 16.05453  ? 19  TYR B CE2 1 
ATOM   865  C CZ  . TYR B 1 22 ? -5.67126  1.17543   20.86907  1.000 14.32400  ? 19  TYR B CZ  1 
ATOM   866  O OH  . TYR B 1 22 ? -6.17613  2.43020   21.08005  1.000 19.29700  ? 19  TYR B OH  1 
ATOM   867  N N   . THR B 1 23 ? -2.47120  -5.16251  21.89425  1.000 18.98874  ? 20  THR B N   1 
ATOM   868  C CA  . THR B 1 23 ? -1.83345  -6.47056  21.84766  1.000 17.20433  ? 20  THR B CA  1 
ATOM   869  C C   . THR B 1 23 ? -2.89082  -7.55321  21.76613  1.000 21.42234  ? 20  THR B C   1 
ATOM   870  O O   . THR B 1 23 ? -3.77141  -7.62890  22.62886  1.000 20.65131  ? 20  THR B O   1 
ATOM   871  C CB  . THR B 1 23 ? -0.95354  -6.70805  23.07632  1.000 20.01689  ? 20  THR B CB  1 
ATOM   872  O OG1 . THR B 1 23 ? 0.00904   -5.65022  23.18583  1.000 21.74666  ? 20  THR B OG1 1 
ATOM   873  C CG2 . THR B 1 23 ? -0.21579  -8.02995  22.92195  1.000 19.66648  ? 20  THR B CG2 1 
ATOM   874  N N   . ALA B 1 24 ? -2.80450  -8.38582  20.73141  1.000 20.16297  ? 21  ALA B N   1 
ATOM   875  C CA  . ALA B 1 24 ? -3.64327  -9.56529  20.60374  1.000 25.56257  ? 21  ALA B CA  1 
ATOM   876  C C   . ALA B 1 24 ? -2.89668  -10.75381 21.19497  1.000 26.30426  ? 21  ALA B C   1 
ATOM   877  O O   . ALA B 1 24 ? -1.77986  -11.06854 20.77330  1.000 24.84935  ? 21  ALA B O   1 
ATOM   878  C CB  . ALA B 1 24 ? -3.98125  -9.82054  19.13721  1.000 21.80682  ? 21  ALA B CB  1 
ATOM   879  N N   . ASN B 1 25 ? -3.51437  -11.40631 22.17290  1.000 27.86498  ? 22  ASN B N   1 
ATOM   880  C CA  . ASN B 1 25 ? -2.91124  -12.52673 22.87830  1.000 31.28346  ? 22  ASN B CA  1 
ATOM   881  C C   . ASN B 1 25 ? -4.01342  -13.53189 23.16189  1.000 28.53579  ? 22  ASN B C   1 
ATOM   882  O O   . ASN B 1 25 ? -4.98938  -13.20048 23.83986  1.000 30.89097  ? 22  ASN B O   1 
ATOM   883  C CB  . ASN B 1 25 ? -2.28070  -12.03896 24.18647  1.000 27.13167  ? 22  ASN B CB  1 
ATOM   884  C CG  . ASN B 1 25 ? -1.63590  -13.15740 24.98331  1.000 31.59579  ? 22  ASN B CG  1 
ATOM   885  O OD1 . ASN B 1 25 ? -1.38894  -14.24619 24.46630  1.000 35.77379  ? 22  ASN B OD1 1 
ATOM   886  N ND2 . ASN B 1 25 ? -1.34404  -12.88402 26.25039  1.000 40.61949  ? 22  ASN B ND2 1 
ATOM   887  N N   . ASN B 1 26 ? -3.86694  -14.74148 22.62012  1.000 34.57325  ? 23  ASN B N   1 
ATOM   888  C CA  . ASN B 1 26 ? -4.77669  -15.85470 22.89789  1.000 35.13832  ? 23  ASN B CA  1 
ATOM   889  C C   . ASN B 1 26 ? -6.24237  -15.46859 22.69911  1.000 37.58346  ? 23  ASN B C   1 
ATOM   890  O O   . ASN B 1 26 ? -7.11749  -15.83660 23.48580  1.000 36.19609  ? 23  ASN B O   1 
ATOM   891  C CB  . ASN B 1 26 ? -4.53757  -16.44785 24.28672  1.000 42.10462  ? 23  ASN B CB  1 
ATOM   892  C CG  . ASN B 1 26 ? -4.83998  -17.93087 24.34132  1.000 47.16886  ? 23  ASN B CG  1 
ATOM   893  O OD1 . ASN B 1 26 ? -4.58081  -18.66176 23.38470  1.000 53.04985  ? 23  ASN B OD1 1 
ATOM   894  N ND2 . ASN B 1 26 ? -5.39642  -18.38311 25.45907  1.000 47.95024  ? 23  ASN B ND2 1 
ATOM   895  N N   . GLY B 1 27 ? -6.50923  -14.70232 21.64367  1.000 31.06538  ? 24  GLY B N   1 
ATOM   896  C CA  . GLY B 1 27 ? -7.86381  -14.36356 21.26502  1.000 28.35551  ? 24  GLY B CA  1 
ATOM   897  C C   . GLY B 1 27 ? -8.40556  -13.06322 21.81821  1.000 27.12063  ? 24  GLY B C   1 
ATOM   898  O O   . GLY B 1 27 ? -9.52946  -12.68521 21.46448  1.000 34.06920  ? 24  GLY B O   1 
ATOM   899  N N   . LYS B 1 28 ? -7.65620  -12.36543 22.66528  1.000 27.57333  ? 25  LYS B N   1 
ATOM   900  C CA  . LYS B 1 28 ? -8.11254  -11.13005 23.28726  1.000 25.59347  ? 25  LYS B CA  1 
ATOM   901  C C   . LYS B 1 28 ? -7.13113  -9.99843  23.01405  1.000 20.96494  ? 25  LYS B C   1 
ATOM   902  O O   . LYS B 1 28 ? -5.91166  -10.18450 23.10210  1.000 26.48585  ? 25  LYS B O   1 
ATOM   903  C CB  . LYS B 1 28 ? -8.27703  -11.30050 24.81016  1.000 29.41744  ? 25  LYS B CB  1 
ATOM   904  C CG  . LYS B 1 28 ? -9.68040  -11.70014 25.25968  1.000 41.83035  ? 25  LYS B CG  1 
ATOM   905  C CD  . LYS B 1 28 ? -9.81940  -11.55800 26.77713  1.000 44.38344  ? 25  LYS B CD  1 
ATOM   906  C CE  . LYS B 1 28 ? -11.26486 -11.30391 27.20105  1.000 48.19793  ? 25  LYS B CE  1 
ATOM   907  N NZ  . LYS B 1 28 ? -11.98689 -12.53865 27.62007  1.000 45.87500  ? 25  LYS B NZ  1 
ATOM   908  N N   . ILE B 1 29 ? -7.67045  -8.82051  22.71113  1.000 23.63446  ? 26  ILE B N   1 
ATOM   909  C CA  . ILE B 1 29 ? -6.88427  -7.61879  22.46903  1.000 22.28430  ? 26  ILE B CA  1 
ATOM   910  C C   . ILE B 1 29 ? -7.02829  -6.69419  23.66889  1.000 22.57306  ? 26  ILE B C   1 
ATOM   911  O O   . ILE B 1 29 ? -8.15286  -6.36228  24.07118  1.000 23.82583  ? 26  ILE B O   1 
ATOM   912  C CB  . ILE B 1 29 ? -7.32064  -6.90706  21.17706  1.000 20.40590  ? 26  ILE B CB  1 
ATOM   913  C CG1 . ILE B 1 29 ? -7.19282  -7.83757  19.96968  1.000 20.72742  ? 26  ILE B CG1 1 
ATOM   914  C CG2 . ILE B 1 29 ? -6.47522  -5.67089  20.95679  1.000 21.21639  ? 26  ILE B CG2 1 
ATOM   915  C CD1 . ILE B 1 29 ? -7.81584  -7.27325  18.71898  1.000 24.84010  ? 26  ILE B CD1 1 
ATOM   916  N N   . THR B 1 30 ? -5.89432  -6.27824  24.23340  1.000 20.27705  ? 27  THR B N   1 
ATOM   917  C CA  . THR B 1 30 ? -5.84040  -5.29720  25.30565  1.000 20.04601  ? 27  THR B CA  1 
ATOM   918  C C   . THR B 1 30 ? -4.98124  -4.11084  24.87353  1.000 19.32297  ? 27  THR B C   1 
ATOM   919  O O   . THR B 1 30 ? -4.34008  -4.12440  23.81481  1.000 18.38262  ? 27  THR B O   1 
ATOM   920  C CB  . THR B 1 30 ? -5.33399  -5.92201  26.61303  1.000 20.57119  ? 27  THR B CB  1 
ATOM   921  O OG1 . THR B 1 30 ? -4.12054  -6.63721  26.35204  1.000 21.76483  ? 27  THR B OG1 1 
ATOM   922  C CG2 . THR B 1 30 ? -6.37658  -6.87691  27.18628  1.000 24.01727  ? 27  THR B CG2 1 
ATOM   923  N N   . GLU B 1 31 ? -4.99373  -3.06164  25.69372  1.000 18.26187  ? 28  GLU B N   1 
ATOM   924  C CA  . GLU B 1 31 ? -4.48089  -1.74597  25.33544  1.000 17.84707  ? 28  GLU B CA  1 
ATOM   925  C C   . GLU B 1 31 ? -3.59539  -1.20713  26.44921  1.000 20.16168  ? 28  GLU B C   1 
ATOM   926  O O   . GLU B 1 31 ? -3.95158  -1.29856  27.63154  1.000 17.53435  ? 28  GLU B O   1 
ATOM   927  C CB  . GLU B 1 31 ? -5.64365  -0.78195  25.08860  1.000 17.17330  ? 28  GLU B CB  1 
ATOM   928  C CG  . GLU B 1 31 ? -5.28189  0.64583   24.75232  1.000 17.48831  ? 28  GLU B CG  1 
ATOM   929  C CD  . GLU B 1 31 ? -6.49371  1.54569   24.72879  1.000 20.55152  ? 28  GLU B CD  1 
ATOM   930  O OE1 . GLU B 1 31 ? -7.32684  1.43208   25.65439  1.000 18.12089  ? 28  GLU B OE1 1 
ATOM   931  O OE2 . GLU B 1 31 ? -6.61032  2.36866   23.79762  1.000 19.28230  ? 28  GLU B OE2 1 
ATOM   932  N N   . ARG B 1 32 ? -2.44661  -0.65733  26.07626  1.000 17.59095  ? 29  ARG B N   1 
ATOM   933  C CA  . ARG B 1 32 ? -1.56207  0.05985   26.98531  1.000 17.05574  ? 29  ARG B CA  1 
ATOM   934  C C   . ARG B 1 32 ? -1.39948  1.48697   26.48171  1.000 18.72226  ? 29  ARG B C   1 
ATOM   935  O O   . ARG B 1 32 ? -1.36649  1.72804   25.26059  1.000 17.94260  ? 29  ARG B O   1 
ATOM   936  C CB  . ARG B 1 32 ? -0.21541  -0.63851  27.09518  1.000 16.90769  ? 29  ARG B CB  1 
ATOM   937  C CG  . ARG B 1 32 ? -0.30682  -1.98820  27.77500  1.000 18.80766  ? 29  ARG B CG  1 
ATOM   938  C CD  . ARG B 1 32 ? -0.46246  -1.83293  29.30501  1.000 17.52645  ? 29  ARG B CD  1 
ATOM   939  N NE  . ARG B 1 32 ? 0.82019   -1.57185  29.95219  1.000 19.55977  ? 29  ARG B NE  1 
ATOM   940  C CZ  . ARG B 1 32 ? 0.96577   -1.20903  31.22112  1.000 19.91589  ? 29  ARG B CZ  1 
ATOM   941  N NH1 . ARG B 1 32 ? -0.08035  -1.01601  32.00587  1.000 23.65287  ? 29  ARG B NH1 1 
ATOM   942  N NH2 . ARG B 1 32 ? 2.19084   -1.03155  31.70862  1.000 20.13577  ? 29  ARG B NH2 1 
ATOM   943  N N   . CYS B 1 33 ? -1.30226  2.43346   27.41382  1.000 16.62075  ? 30  CYS B N   1 
ATOM   944  C CA  . CYS B 1 33 ? -1.41221  3.84673   27.09071  1.000 16.73496  ? 30  CYS B CA  1 
ATOM   945  C C   . CYS B 1 33 ? -0.24061  4.62117   27.65373  1.000 17.72587  ? 30  CYS B C   1 
ATOM   946  O O   . CYS B 1 33 ? 0.16199   4.41591   28.80652  1.000 19.17274  ? 30  CYS B O   1 
ATOM   947  C CB  . CYS B 1 33 ? -2.67436  4.45803   27.71094  1.000 19.26043  ? 30  CYS B CB  1 
ATOM   948  S SG  . CYS B 1 33 ? -4.18272  3.55972   27.34407  1.000 19.00335  ? 30  CYS B SG  1 
ATOM   949  N N   . TRP B 1 34 ? 0.24019   5.56877   26.86068  1.000 17.70776  ? 31  TRP B N   1 
ATOM   950  C CA  . TRP B 1 34 ? 1.23733   6.53168   27.28050  1.000 18.38659  ? 31  TRP B CA  1 
ATOM   951  C C   . TRP B 1 34 ? 0.68677   7.91477   26.98203  1.000 20.34755  ? 31  TRP B C   1 
ATOM   952  O O   . TRP B 1 34 ? 0.31363   8.20190   25.83798  1.000 20.73048  ? 31  TRP B O   1 
ATOM   953  C CB  . TRP B 1 34 ? 2.53065   6.30862   26.50259  1.000 16.96045  ? 31  TRP B CB  1 
ATOM   954  C CG  . TRP B 1 34 ? 3.60136   7.32767   26.78002  1.000 15.92595  ? 31  TRP B CG  1 
ATOM   955  C CD1 . TRP B 1 34 ? 3.81048   8.50127   26.12130  1.000 20.51611  ? 31  TRP B CD1 1 
ATOM   956  C CD2 . TRP B 1 34 ? 4.62939   7.23682   27.77136  1.000 18.45669  ? 31  TRP B CD2 1 
ATOM   957  N NE1 . TRP B 1 34 ? 4.90318   9.15443   26.64349  1.000 21.00273  ? 31  TRP B NE1 1 
ATOM   958  C CE2 . TRP B 1 34 ? 5.41909   8.39738   27.66242  1.000 20.19103  ? 31  TRP B CE2 1 
ATOM   959  C CE3 . TRP B 1 34 ? 4.95750   6.28471   28.74159  1.000 19.00409  ? 31  TRP B CE3 1 
ATOM   960  C CZ2 . TRP B 1 34 ? 6.52038   8.63647   28.49650  1.000 22.10991  ? 31  TRP B CZ2 1 
ATOM   961  C CZ3 . TRP B 1 34 ? 6.05612   6.52236   29.56409  1.000 19.74789  ? 31  TRP B CZ3 1 
ATOM   962  C CH2 . TRP B 1 34 ? 6.81400   7.68759   29.44027  1.000 19.06732  ? 31  TRP B CH2 1 
ATOM   963  N N   . ASP B 1 35 ? 0.62110   8.76466   28.00147  1.000 22.48707  ? 32  ASP B N   1 
ATOM   964  C CA  . ASP B 1 35 ? 0.29687   10.17315  27.81442  1.000 25.52076  ? 32  ASP B CA  1 
ATOM   965  C C   . ASP B 1 35 ? 1.40712   11.07041  28.34979  1.000 23.81707  ? 32  ASP B C   1 
ATOM   966  O O   . ASP B 1 35 ? 1.14839   12.18884  28.79611  1.000 28.84300  ? 32  ASP B O   1 
ATOM   967  C CB  . ASP B 1 35 ? -1.04855  10.53808  28.44802  1.000 24.33661  ? 32  ASP B CB  1 
ATOM   968  C CG  . ASP B 1 35 ? -2.20220  9.72333   27.89679  1.000 26.23432  ? 32  ASP B CG  1 
ATOM   969  O OD1 . ASP B 1 35 ? -2.37454  9.66211   26.65291  1.000 23.30092  ? 32  ASP B OD1 1 
ATOM   970  O OD2 . ASP B 1 35 ? -2.94620  9.14753   28.71766  1.000 33.51198  ? 32  ASP B OD2 1 
ATOM   971  N N   . GLY B 1 36 ? 2.64815   10.57950  28.33518  1.000 20.85737  ? 33  GLY B N   1 
ATOM   972  C CA  . GLY B 1 36 ? 3.80179   11.39007  28.65268  1.000 19.98674  ? 33  GLY B CA  1 
ATOM   973  C C   . GLY B 1 36 ? 4.37511   11.19595  30.04299  1.000 20.82981  ? 33  GLY B C   1 
ATOM   974  O O   . GLY B 1 36 ? 5.41464   11.79230  30.34733  1.000 24.12480  ? 33  GLY B O   1 
ATOM   975  N N   . LYS B 1 37 ? 3.73857   10.37874  30.89024  1.000 22.13579  ? 34  LYS B N   1 
ATOM   976  C CA  . LYS B 1 37 ? 4.10329   10.28892  32.30323  1.000 20.22410  ? 34  LYS B CA  1 
ATOM   977  C C   . LYS B 1 37 ? 4.00722   8.86186   32.83202  1.000 23.66248  ? 34  LYS B C   1 
ATOM   978  O O   . LYS B 1 37 ? 3.70840   8.65920   34.01308  1.000 36.11097  ? 34  LYS B O   1 
ATOM   979  C CB  . LYS B 1 37 ? 3.20100   11.18740  33.16122  1.000 26.79561  ? 34  LYS B CB  1 
ATOM   980  C CG  . LYS B 1 37 ? 3.15332   12.65911  32.74892  1.000 31.34724  ? 34  LYS B CG  1 
ATOM   981  C CD  . LYS B 1 37 ? 2.63939   13.53691  33.88756  1.000 47.61062  ? 34  LYS B CD  1 
ATOM   982  C CE  . LYS B 1 37 ? 2.31665   14.95097  33.41341  1.000 48.35222  ? 34  LYS B CE  1 
ATOM   983  N NZ  . LYS B 1 37 ? 3.44630   15.90517  33.60236  1.000 60.32952  ? 34  LYS B NZ  1 
ATOM   984  N N   . GLY B 1 38 ? 4.24262   7.86237   31.99033  1.000 18.28813  ? 35  GLY B N   1 
ATOM   985  C CA  . GLY B 1 38 ? 4.15650   6.48218   32.42118  1.000 16.27299  ? 35  GLY B CA  1 
ATOM   986  C C   . GLY B 1 38 ? 3.13378   5.66545   31.65088  1.000 19.09460  ? 35  GLY B C   1 
ATOM   987  O O   . GLY B 1 38 ? 2.13034   6.20617   31.16361  1.000 21.84104  ? 35  GLY B O   1 
ATOM   988  N N   . TRP B 1 39 ? 3.34767   4.35256   31.55642  1.000 18.37581  ? 36  TRP B N   1 
ATOM   989  C CA  . TRP B 1 39 ? 2.40925   3.47955   30.85997  1.000 20.33225  ? 36  TRP B CA  1 
ATOM   990  C C   . TRP B 1 39 ? 1.32884   2.99213   31.81823  1.000 23.19404  ? 36  TRP B C   1 
ATOM   991  O O   . TRP B 1 39 ? 1.60447   2.70942   32.99063  1.000 21.67365  ? 36  TRP B O   1 
ATOM   992  C CB  . TRP B 1 39 ? 3.13508   2.28094   30.24255  1.000 19.28019  ? 36  TRP B CB  1 
ATOM   993  C CG  . TRP B 1 39 ? 4.00184   2.65740   29.07121  1.000 17.64597  ? 36  TRP B CG  1 
ATOM   994  C CD1 . TRP B 1 39 ? 5.32569   3.00824   29.09496  1.000 15.99068  ? 36  TRP B CD1 1 
ATOM   995  C CD2 . TRP B 1 39 ? 3.58156   2.74809   27.70890  1.000 17.37494  ? 36  TRP B CD2 1 
ATOM   996  N NE1 . TRP B 1 39 ? 5.75362   3.29325   27.81309  1.000 19.28921  ? 36  TRP B NE1 1 
ATOM   997  C CE2 . TRP B 1 39 ? 4.69707   3.15004   26.95169  1.000 17.84377  ? 36  TRP B CE2 1 
ATOM   998  C CE3 . TRP B 1 39 ? 2.36373   2.52958   27.05340  1.000 17.46832  ? 36  TRP B CE3 1 
ATOM   999  C CZ2 . TRP B 1 39 ? 4.63022   3.33279   25.57057  1.000 16.95998  ? 36  TRP B CZ2 1 
ATOM   1000 C CZ3 . TRP B 1 39 ? 2.29819   2.71700   25.68181  1.000 18.19924  ? 36  TRP B CZ3 1 
ATOM   1001 C CH2 . TRP B 1 39 ? 3.43113   3.10063   24.95883  1.000 18.45467  ? 36  TRP B CH2 1 
ATOM   1002 N N   . TYR B 1 40 ? 0.10017   2.90362   31.31761  1.000 20.51767  ? 37  TYR B N   1 
ATOM   1003 C CA  . TYR B 1 40 ? -1.01944  2.40254   32.10854  1.000 18.80934  ? 37  TYR B CA  1 
ATOM   1004 C C   . TYR B 1 40 ? -1.96528  1.63649   31.19479  1.000 20.74590  ? 37  TYR B C   1 
ATOM   1005 O O   . TYR B 1 40 ? -1.90373  1.74938   29.96896  1.000 20.47388  ? 37  TYR B O   1 
ATOM   1006 C CB  . TYR B 1 40 ? -1.74774  3.52572   32.86587  1.000 18.72056  ? 37  TYR B CB  1 
ATOM   1007 C CG  . TYR B 1 40 ? -2.37506  4.57140   31.96853  1.000 23.13913  ? 37  TYR B CG  1 
ATOM   1008 C CD1 . TYR B 1 40 ? -1.62582  5.63840   31.49122  1.000 23.96363  ? 37  TYR B CD1 1 
ATOM   1009 C CD2 . TYR B 1 40 ? -3.71873  4.50605   31.62243  1.000 20.77986  ? 37  TYR B CD2 1 
ATOM   1010 C CE1 . TYR B 1 40 ? -2.18771  6.59335   30.66386  1.000 22.89840  ? 37  TYR B CE1 1 
ATOM   1011 C CE2 . TYR B 1 40 ? -4.28988  5.45817   30.80643  1.000 26.53674  ? 37  TYR B CE2 1 
ATOM   1012 C CZ  . TYR B 1 40 ? -3.52779  6.49812   30.33304  1.000 25.48354  ? 37  TYR B CZ  1 
ATOM   1013 O OH  . TYR B 1 40 ? -4.10823  7.44667   29.52096  1.000 27.31905  ? 37  TYR B OH  1 
ATOM   1014 N N   . THR B 1 41 ? -2.84521  0.85085   31.79278  1.000 17.31243  ? 38  THR B N   1 
ATOM   1015 C CA  . THR B 1 41 ? -3.74144  0.01149   31.01980  1.000 18.98998  ? 38  THR B CA  1 
ATOM   1016 C C   . THR B 1 41 ? -4.98677  0.80197   30.64992  1.000 19.63446  ? 38  THR B C   1 
ATOM   1017 O O   . THR B 1 41 ? -5.53093  1.55638   31.45963  1.000 20.19252  ? 38  THR B O   1 
ATOM   1018 C CB  . THR B 1 41 ? -4.08783  -1.25800  31.79608  1.000 23.38259  ? 38  THR B CB  1 
ATOM   1019 O OG1 . THR B 1 41 ? -2.89456  -2.04128  31.93247  1.000 20.13978  ? 38  THR B OG1 1 
ATOM   1020 C CG2 . THR B 1 41 ? -5.12725  -2.07152  31.06316  1.000 25.30735  ? 38  THR B CG2 1 
ATOM   1021 N N   . GLY B 1 42 ? -5.40459  0.66732   29.39159  1.000 17.65612  ? 39  GLY B N   1 
ATOM   1022 C CA  . GLY B 1 42 ? -6.58376  1.33608   28.89554  1.000 19.96573  ? 39  GLY B CA  1 
ATOM   1023 C C   . GLY B 1 42 ? -7.83182  0.46636   28.91895  1.000 17.09796  ? 39  GLY B C   1 
ATOM   1024 O O   . GLY B 1 42 ? -7.81015  -0.73032  29.20005  1.000 17.14392  ? 39  GLY B O   1 
ATOM   1025 N N   . ALA B 1 43 ? -8.92803  1.09542   28.51414  1.000 18.74692  ? 40  ALA B N   1 
ATOM   1026 C CA  . ALA B 1 43 ? -10.23988 0.47319   28.58170  1.000 20.77420  ? 40  ALA B CA  1 
ATOM   1027 C C   . ALA B 1 43 ? -10.50787 -0.50482  27.44339  1.000 16.97615  ? 40  ALA B C   1 
ATOM   1028 O O   . ALA B 1 43 ? -11.44124 -1.30769  27.55513  1.000 21.00792  ? 40  ALA B O   1 
ATOM   1029 C CB  . ALA B 1 43 ? -11.32680 1.54478   28.59422  1.000 19.23228  ? 40  ALA B CB  1 
ATOM   1030 N N   . PHE B 1 44 ? -9.74228  -0.46029  26.34881  1.000 20.65039  ? 41  PHE B N   1 
ATOM   1031 C CA  . PHE B 1 44 ? -10.04222 -1.34218  25.22882  1.000 18.26214  ? 41  PHE B CA  1 
ATOM   1032 C C   . PHE B 1 44 ? -9.81364  -2.79956  25.61176  1.000 19.10935  ? 41  PHE B C   1 
ATOM   1033 O O   . PHE B 1 44 ? -8.71684  -3.17122  26.03229  1.000 19.29536  ? 41  PHE B O   1 
ATOM   1034 C CB  . PHE B 1 44 ? -9.19162  -0.99707  24.01340  1.000 18.99775  ? 41  PHE B CB  1 
ATOM   1035 C CG  . PHE B 1 44 ? -9.57430  -1.78842  22.79174  1.000 19.33163  ? 41  PHE B CG  1 
ATOM   1036 C CD1 . PHE B 1 44 ? -10.55124 -1.31822  21.92845  1.000 27.61110  ? 41  PHE B CD1 1 
ATOM   1037 C CD2 . PHE B 1 44 ? -9.01056  -3.02933  22.53687  1.000 18.65962  ? 41  PHE B CD2 1 
ATOM   1038 C CE1 . PHE B 1 44 ? -10.92573 -2.05066  20.81790  1.000 27.81553  ? 41  PHE B CE1 1 
ATOM   1039 C CE2 . PHE B 1 44 ? -9.39212  -3.76152  21.41346  1.000 21.76196  ? 41  PHE B CE2 1 
ATOM   1040 C CZ  . PHE B 1 44 ? -10.35461 -3.27192  20.57274  1.000 20.05472  ? 41  PHE B CZ  1 
ATOM   1041 N N   . ASN B 1 45 ? -10.84298 -3.63652  25.43730  1.000 20.94385  ? 42  ASN B N   1 
ATOM   1042 C CA  . ASN B 1 45 ? -10.69997 -5.07729  25.65976  1.000 18.58283  ? 42  ASN B CA  1 
ATOM   1043 C C   . ASN B 1 45 ? -11.79214 -5.77572  24.84603  1.000 23.68526  ? 42  ASN B C   1 
ATOM   1044 O O   . ASN B 1 45 ? -12.95229 -5.80988  25.26906  1.000 26.68856  ? 42  ASN B O   1 
ATOM   1045 C CB  . ASN B 1 45 ? -10.82937 -5.39662  27.14509  1.000 23.80357  ? 42  ASN B CB  1 
ATOM   1046 C CG  . ASN B 1 45 ? -10.48906 -6.83803  27.47204  1.000 28.80163  ? 42  ASN B CG  1 
ATOM   1047 O OD1 . ASN B 1 45 ? -10.93512 -7.77057  26.80159  1.000 34.43009  ? 42  ASN B OD1 1 
ATOM   1048 N ND2 . ASN B 1 45 ? -9.70153  -7.02765  28.52161  1.000 30.83798  ? 42  ASN B ND2 1 
ATOM   1049 N N   . GLU B 1 46 ? -11.41844 -6.32210  23.69500  1.000 22.03350  ? 43  GLU B N   1 
ATOM   1050 C CA  . GLU B 1 46 ? -12.34525 -6.97415  22.78321  1.000 27.28019  ? 43  GLU B CA  1 
ATOM   1051 C C   . GLU B 1 46 ? -11.65708 -8.17247  22.14929  1.000 20.78182  ? 43  GLU B C   1 
ATOM   1052 O O   . GLU B 1 46 ? -10.42471 -8.22281  22.08366  1.000 21.58869  ? 43  GLU B O   1 
ATOM   1053 C CB  . GLU B 1 46 ? -12.81740 -6.01264  21.68177  1.000 25.24799  ? 43  GLU B CB  1 
ATOM   1054 C CG  . GLU B 1 46 ? -13.54956 -4.77777  22.17036  1.000 26.77205  ? 43  GLU B CG  1 
ATOM   1055 C CD  . GLU B 1 46 ? -14.83076 -5.09884  22.92628  1.000 26.62733  ? 43  GLU B CD  1 
ATOM   1056 O OE1 . GLU B 1 46 ? -15.36423 -6.22258  22.78545  1.000 28.42732  ? 43  GLU B OE1 1 
ATOM   1057 O OE2 . GLU B 1 46 ? -15.30810 -4.21808  23.66815  1.000 30.79770  ? 43  GLU B OE2 1 
ATOM   1058 N N   . PRO B 1 47 ? -12.42295 -9.14090  21.65182  1.000 21.06934  ? 44  PRO B N   1 
ATOM   1059 C CA  . PRO B 1 47 ? -11.80399 -10.32423 21.04624  1.000 17.94955  ? 44  PRO B CA  1 
ATOM   1060 C C   . PRO B 1 47 ? -11.07591 -9.98399  19.75215  1.000 20.45981  ? 44  PRO B C   1 
ATOM   1061 O O   . PRO B 1 47 ? -11.48336 -9.10175  18.99064  1.000 26.24190  ? 44  PRO B O   1 
ATOM   1062 C CB  . PRO B 1 47 ? -12.99936 -11.24317 20.76056  1.000 26.43160  ? 44  PRO B CB  1 
ATOM   1063 C CG  . PRO B 1 47 ? -14.07852 -10.76256 21.66770  1.000 30.09898  ? 44  PRO B CG  1 
ATOM   1064 C CD  . PRO B 1 47 ? -13.88777 -9.27997  21.72663  1.000 25.55209  ? 44  PRO B CD  1 
ATOM   1065 N N   . GLY B 1 48 ? -9.99232  -10.71598 19.51080  1.000 21.91247  ? 45  GLY B N   1 
ATOM   1066 C CA  . GLY B 1 48 ? -9.25210  -10.60800 18.26783  1.000 23.28920  ? 45  GLY B CA  1 
ATOM   1067 C C   . GLY B 1 48 ? -7.99804  -11.45823 18.25838  1.000 23.87987  ? 45  GLY B C   1 
ATOM   1068 O O   . GLY B 1 48 ? -7.29820  -11.54620 19.27174  1.000 26.05847  ? 45  GLY B O   1 
ATOM   1069 N N   . ASP B 1 49 ? -7.70579  -12.09609 17.12011  1.000 25.35806  ? 46  ASP B N   1 
ATOM   1070 C CA  . ASP B 1 49 ? -6.43246  -12.77775 16.91985  1.000 25.25825  ? 46  ASP B CA  1 
ATOM   1071 C C   . ASP B 1 49 ? -5.39778  -11.87133 16.27552  1.000 27.78447  ? 46  ASP B C   1 
ATOM   1072 O O   . ASP B 1 49 ? -4.19765  -12.03904 16.51385  1.000 30.11623  ? 46  ASP B O   1 
ATOM   1073 C CB  . ASP B 1 49 ? -6.61400  -13.99943 16.01537  1.000 26.45565  ? 46  ASP B CB  1 
ATOM   1074 C CG  . ASP B 1 49 ? -7.39524  -15.11290 16.68219  1.000 40.57687  ? 46  ASP B CG  1 
ATOM   1075 O OD1 . ASP B 1 49 ? -7.18726  -15.34596 17.89335  1.000 39.93163  ? 46  ASP B OD1 1 
ATOM   1076 O OD2 . ASP B 1 49 ? -8.21284  -15.75698 15.99216  1.000 38.57677  ? 46  ASP B OD2 1 
ATOM   1077 N N   . ASN B 1 50 ? -5.85104  -10.91862 15.46967  1.000 23.83112  ? 47  ASN B N   1 
ATOM   1078 C CA  . ASN B 1 50 ? -5.00469  -9.98793  14.74479  1.000 20.40324  ? 47  ASN B CA  1 
ATOM   1079 C C   . ASN B 1 50 ? -5.55531  -8.58983  14.97233  1.000 18.28312  ? 47  ASN B C   1 
ATOM   1080 O O   . ASN B 1 50 ? -6.75733  -8.41543  15.19152  1.000 20.06448  ? 47  ASN B O   1 
ATOM   1081 C CB  . ASN B 1 50 ? -5.07014  -10.31039 13.24937  1.000 22.22026  ? 47  ASN B CB  1 
ATOM   1082 C CG  . ASN B 1 50 ? -4.26697  -9.35802  12.41577  1.000 30.35163  ? 47  ASN B CG  1 
ATOM   1083 O OD1 . ASN B 1 50 ? -3.04067  -9.46856  12.33451  1.000 34.21923  ? 47  ASN B OD1 1 
ATOM   1084 N ND2 . ASN B 1 50 ? -4.95151  -8.40421  11.77980  1.000 22.34978  ? 47  ASN B ND2 1 
ATOM   1085 N N   . VAL B 1 51 ? -4.68191  -7.58961  14.90422  1.000 18.96761  ? 48  VAL B N   1 
ATOM   1086 C CA  . VAL B 1 51 ? -5.08797  -6.22559  15.21045  1.000 14.96093  ? 48  VAL B CA  1 
ATOM   1087 C C   . VAL B 1 51 ? -4.28936  -5.24339  14.36283  1.000 17.79849  ? 48  VAL B C   1 
ATOM   1088 O O   . VAL B 1 51 ? -3.09113  -5.42161  14.12703  1.000 17.26543  ? 48  VAL B O   1 
ATOM   1089 C CB  . VAL B 1 51 ? -4.98358  -5.92129  16.72716  1.000 16.83292  ? 48  VAL B CB  1 
ATOM   1090 C CG1 . VAL B 1 51 ? -3.53812  -6.02984  17.21731  1.000 19.09019  ? 48  VAL B CG1 1 
ATOM   1091 C CG2 . VAL B 1 51 ? -5.55604  -4.56193  17.02243  1.000 19.36318  ? 48  VAL B CG2 1 
ATOM   1092 N N   . SER B 1 52 ? -4.97682  -4.19382  13.92066  1.000 15.52722  ? 49  SER B N   1 
ATOM   1093 C CA  . SER B 1 52 ? -4.35202  -3.01132  13.35478  1.000 14.45773  ? 49  SER B CA  1 
ATOM   1094 C C   . SER B 1 52 ? -5.06855  -1.79412  13.92059  1.000 12.60769  ? 49  SER B C   1 
ATOM   1095 O O   . SER B 1 52 ? -6.17507  -1.90146  14.46429  1.000 14.52628  ? 49  SER B O   1 
ATOM   1096 C CB  . SER B 1 52 ? -4.38342  -3.01831  11.80477  1.000 16.33980  ? 49  SER B CB  1 
ATOM   1097 O OG  . SER B 1 52 ? -5.69519  -2.91961  11.26727  1.000 17.17368  ? 49  SER B OG  1 
ATOM   1098 N N   . VAL B 1 53 ? -4.45666  -0.62524  13.76192  1.000 13.11143  ? 50  VAL B N   1 
ATOM   1099 C CA  . VAL B 1 53 ? -4.99877  0.59202   14.35337  1.000 15.41236  ? 50  VAL B CA  1 
ATOM   1100 C C   . VAL B 1 53 ? -4.62472  1.78687   13.49815  1.000 16.04739  ? 50  VAL B C   1 
ATOM   1101 O O   . VAL B 1 53 ? -3.57772  1.80290   12.84897  1.000 16.05006  ? 50  VAL B O   1 
ATOM   1102 C CB  . VAL B 1 53 ? -4.56946  0.77398   15.83243  1.000 16.18919  ? 50  VAL B CB  1 
ATOM   1103 C CG1 . VAL B 1 53 ? -3.08055  1.01127   15.92381  1.000 16.45335  ? 50  VAL B CG1 1 
ATOM   1104 C CG2 . VAL B 1 53 ? -5.35875  1.90753   16.48301  1.000 16.77694  ? 50  VAL B CG2 1 
ATOM   1105 N N   . THR B 1 54 ? -5.51189  2.77451   13.46431  1.000 16.10953  ? 51  THR B N   1 
ATOM   1106 C CA  . THR B 1 54 ? -5.18865  4.09156   12.93862  1.000 16.02385  ? 51  THR B CA  1 
ATOM   1107 C C   . THR B 1 54 ? -5.90377  5.12327   13.79655  1.000 16.58387  ? 51  THR B C   1 
ATOM   1108 O O   . THR B 1 54 ? -6.88798  4.81156   14.47287  1.000 17.95596  ? 51  THR B O   1 
ATOM   1109 C CB  . THR B 1 54 ? -5.54646  4.22015   11.44412  1.000 17.12579  ? 51  THR B CB  1 
ATOM   1110 O OG1 . THR B 1 54 ? -5.00093  5.43685   10.91899  1.000 17.80495  ? 51  THR B OG1 1 
ATOM   1111 C CG2 . THR B 1 54 ? -7.06015  4.20859   11.24160  1.000 17.99215  ? 51  THR B CG2 1 
ATOM   1112 N N   . SER B 1 55 ? -5.41754  6.36051   13.75817  1.000 19.08836  ? 52  SER B N   1 
ATOM   1113 C CA  . SER B 1 55 ? -6.04943  7.42070   14.53449  1.000 17.72411  ? 52  SER B CA  1 
ATOM   1114 C C   . SER B 1 55 ? -5.83898  8.75481   13.84135  1.000 19.15206  ? 52  SER B C   1 
ATOM   1115 O O   . SER B 1 55 ? -4.92688  8.91516   13.02950  1.000 19.08471  ? 52  SER B O   1 
ATOM   1116 C CB  . SER B 1 55 ? -5.52847  7.48633   15.98019  1.000 20.93924  ? 52  SER B CB  1 
ATOM   1117 O OG  . SER B 1 55 ? -4.18195  7.95051   16.04432  1.000 18.67565  ? 52  SER B OG  1 
ATOM   1118 N N   . TRP B 1 56 ? -6.69060  9.72122   14.18175  1.000 21.68149  ? 53  TRP B N   1 
ATOM   1119 C CA  . TRP B 1 56 ? -6.61100  11.04582  13.58069  1.000 19.82448  ? 53  TRP B CA  1 
ATOM   1120 C C   . TRP B 1 56 ? -7.17112  12.06920  14.55704  1.000 20.52250  ? 53  TRP B C   1 
ATOM   1121 O O   . TRP B 1 56 ? -8.01017  11.75420  15.40238  1.000 23.83743  ? 53  TRP B O   1 
ATOM   1122 C CB  . TRP B 1 56 ? -7.35069  11.13397  12.23670  1.000 25.47891  ? 53  TRP B CB  1 
ATOM   1123 C CG  . TRP B 1 56 ? -8.83123  10.97053  12.35228  1.000 23.82790  ? 53  TRP B CG  1 
ATOM   1124 C CD1 . TRP B 1 56 ? -9.76273  11.96159  12.47704  1.000 25.68705  ? 53  TRP B CD1 1 
ATOM   1125 C CD2 . TRP B 1 56 ? -9.55556  9.73757   12.35000  1.000 22.65294  ? 53  TRP B CD2 1 
ATOM   1126 N NE1 . TRP B 1 56 ? -11.02326 11.41863  12.55448  1.000 26.09982  ? 53  TRP B NE1 1 
ATOM   1127 C CE2 . TRP B 1 56 ? -10.92285 10.05387  12.48130  1.000 26.65916  ? 53  TRP B CE2 1 
ATOM   1128 C CE3 . TRP B 1 56 ? -9.17927  8.39281   12.24444  1.000 22.55320  ? 53  TRP B CE3 1 
ATOM   1129 C CZ2 . TRP B 1 56 ? -11.91621 9.07385   12.51449  1.000 25.27525  ? 53  TRP B CZ2 1 
ATOM   1130 C CZ3 . TRP B 1 56 ? -10.16528 7.42344   12.26581  1.000 23.21055  ? 53  TRP B CZ3 1 
ATOM   1131 C CH2 . TRP B 1 56 ? -11.51760 7.76866   12.41006  1.000 21.08971  ? 53  TRP B CH2 1 
ATOM   1132 N N   . LEU B 1 57 ? -6.68584  13.29657  14.43633  1.000 27.39878  ? 54  LEU B N   1 
ATOM   1133 C CA  . LEU B 1 57 ? -7.13545  14.39132  15.27763  1.000 26.26207  ? 54  LEU B CA  1 
ATOM   1134 C C   . LEU B 1 57 ? -8.10445  15.27055  14.50125  1.000 27.58905  ? 54  LEU B C   1 
ATOM   1135 O O   . LEU B 1 57 ? -7.86292  15.59200  13.33281  1.000 35.20570  ? 54  LEU B O   1 
ATOM   1136 C CB  . LEU B 1 57 ? -5.94300  15.23112  15.73539  1.000 30.48180  ? 54  LEU B CB  1 
ATOM   1137 C CG  . LEU B 1 57 ? -5.01107  14.61376  16.77850  1.000 28.52350  ? 54  LEU B CG  1 
ATOM   1138 C CD1 . LEU B 1 57 ? -3.68630  15.35700  16.79357  1.000 34.71480  ? 54  LEU B CD1 1 
ATOM   1139 C CD2 . LEU B 1 57 ? -5.65053  14.64309  18.15907  1.000 33.54471  ? 54  LEU B CD2 1 
ATOM   1140 N N   . VAL B 1 58 ? -9.20524  15.63882  15.14520  1.000 30.44368  ? 55  VAL B N   1 
ATOM   1141 C CA  . VAL B 1 58 ? -10.05213 16.73302  14.69469  1.000 34.51301  ? 55  VAL B CA  1 
ATOM   1142 C C   . VAL B 1 58 ? -9.84273  17.85632  15.69785  1.000 39.12960  ? 55  VAL B C   1 
ATOM   1143 O O   . VAL B 1 58 ? -10.33020 17.78760  16.83176  1.000 36.19031  ? 55  VAL B O   1 
ATOM   1144 C CB  . VAL B 1 58 ? -11.52384 16.31810  14.58180  1.000 36.29546  ? 55  VAL B CB  1 
ATOM   1145 C CG1 . VAL B 1 58 ? -12.36622 17.48460  14.08761  1.000 40.56218  ? 55  VAL B CG1 1 
ATOM   1146 C CG2 . VAL B 1 58 ? -11.66065 15.12587  13.63896  1.000 34.37940  ? 55  VAL B CG2 1 
ATOM   1147 N N   . GLY B 1 59 ? -9.08036  18.87108  15.30119  1.000 33.99179  ? 56  GLY B N   1 
ATOM   1148 C CA  . GLY B 1 59 ? -8.62932  19.86312  16.25407  1.000 44.81170  ? 56  GLY B CA  1 
ATOM   1149 C C   . GLY B 1 59 ? -7.71526  19.24347  17.29131  1.000 31.83004  ? 56  GLY B C   1 
ATOM   1150 O O   . GLY B 1 59 ? -6.60936  18.80425  16.96528  1.000 40.05687  ? 56  GLY B O   1 
ATOM   1151 N N   . SER B 1 60 ? -8.16680  19.19265  18.54310  1.000 39.11541  ? 57  SER B N   1 
ATOM   1152 C CA  . SER B 1 60 ? -7.43020  18.53305  19.61311  1.000 39.60164  ? 57  SER B CA  1 
ATOM   1153 C C   . SER B 1 60 ? -8.08254  17.23628  20.06972  1.000 41.91773  ? 57  SER B C   1 
ATOM   1154 O O   . SER B 1 60 ? -7.59373  16.61079  21.01755  1.000 43.04100  ? 57  SER B O   1 
ATOM   1155 C CB  . SER B 1 60 ? -7.24432  19.47736  20.80942  1.000 47.57343  ? 57  SER B CB  1 
ATOM   1156 O OG  . SER B 1 60 ? -6.32803  20.51645  20.50640  1.000 46.71531  ? 57  SER B OG  1 
ATOM   1157 N N   . ALA B 1 61 ? -9.16389  16.81419  19.42129  1.000 37.40858  ? 58  ALA B N   1 
ATOM   1158 C CA  . ALA B 1 61 ? -9.87126  15.60261  19.80313  1.000 36.54743  ? 58  ALA B CA  1 
ATOM   1159 C C   . ALA B 1 61 ? -9.33011  14.42006  19.01324  1.000 27.83417  ? 58  ALA B C   1 
ATOM   1160 O O   . ALA B 1 61 ? -9.07493  14.52594  17.80939  1.000 36.34221  ? 58  ALA B O   1 
ATOM   1161 C CB  . ALA B 1 61 ? -11.36786 15.75925  19.53455  1.000 35.42874  ? 58  ALA B CB  1 
ATOM   1162 N N   . ILE B 1 62 ? -9.15454  13.29455  19.69908  1.000 32.67696  ? 59  ILE B N   1 
ATOM   1163 C CA  . ILE B 1 62 ? -8.59628  12.09045  19.09533  1.000 29.51398  ? 59  ILE B CA  1 
ATOM   1164 C C   . ILE B 1 62 ? -9.72571  11.14599  18.71323  1.000 22.97103  ? 59  ILE B C   1 
ATOM   1165 O O   . ILE B 1 62 ? -10.73314 11.02258  19.42683  1.000 26.37243  ? 59  ILE B O   1 
ATOM   1166 C CB  . ILE B 1 62 ? -7.56582  11.40722  20.02095  1.000 23.33667  ? 59  ILE B CB  1 
ATOM   1167 C CG1 . ILE B 1 62 ? -6.77534  10.34339  19.25613  1.000 24.78695  ? 59  ILE B CG1 1 
ATOM   1168 C CG2 . ILE B 1 62 ? -8.23694  10.77074  21.21806  1.000 26.94024  ? 59  ILE B CG2 1 
ATOM   1169 C CD1 . ILE B 1 62 ? -6.00770  10.88564  18.07270  1.000 20.48034  ? 59  ILE B CD1 1 
ATOM   1170 N N   . HIS B 1 63 ? -9.56633  10.49599  17.56393  1.000 25.78828  ? 60  HIS B N   1 
ATOM   1171 C CA  . HIS B 1 63 ? -10.47039 9.45626   17.09388  1.000 21.98664  ? 60  HIS B CA  1 
ATOM   1172 C C   . HIS B 1 63 ? -9.61053  8.25067   16.74844  1.000 21.19478  ? 60  HIS B C   1 
ATOM   1173 O O   . HIS B 1 63 ? -8.66955  8.37278   15.96177  1.000 23.04489  ? 60  HIS B O   1 
ATOM   1174 C CB  . HIS B 1 63 ? -11.25141 9.94979   15.87389  1.000 24.34987  ? 60  HIS B CB  1 
ATOM   1175 C CG  . HIS B 1 63 ? -12.05758 11.18048  16.14906  1.000 25.79478  ? 60  HIS B CG  1 
ATOM   1176 N ND1 . HIS B 1 63 ? -13.38269 11.13404  16.52270  1.000 27.65850  ? 60  HIS B ND1 1 
ATOM   1177 C CD2 . HIS B 1 63 ? -11.71199 12.48975  16.15103  1.000 31.39255  ? 60  HIS B CD2 1 
ATOM   1178 C CE1 . HIS B 1 63 ? -13.82315 12.36256  16.72909  1.000 33.46434  ? 60  HIS B CE1 1 
ATOM   1179 N NE2 . HIS B 1 63 ? -12.83033 13.20412  16.50849  1.000 30.45355  ? 60  HIS B NE2 1 
ATOM   1180 N N   . ILE B 1 64 ? -9.91080  7.10087   17.35252  1.000 20.21494  ? 61  ILE B N   1 
ATOM   1181 C CA  . ILE B 1 64 ? -9.13735  5.87644   17.16259  1.000 19.65298  ? 61  ILE B CA  1 
ATOM   1182 C C   . ILE B 1 64 ? -10.02886 4.81357   16.53310  1.000 19.36971  ? 61  ILE B C   1 
ATOM   1183 O O   . ILE B 1 64 ? -11.19320 4.65751   16.92087  1.000 18.93134  ? 61  ILE B O   1 
ATOM   1184 C CB  . ILE B 1 64 ? -8.57291  5.35462   18.50124  1.000 19.52498  ? 61  ILE B CB  1 
ATOM   1185 C CG1 . ILE B 1 64 ? -7.92070  6.48868   19.29910  1.000 21.45978  ? 61  ILE B CG1 1 
ATOM   1186 C CG2 . ILE B 1 64 ? -7.58500  4.21350   18.26485  1.000 17.20129  ? 61  ILE B CG2 1 
ATOM   1187 C CD1 . ILE B 1 64 ? -7.50562  6.09220   20.71695  1.000 20.27088  ? 61  ILE B CD1 1 
ATOM   1188 N N   . ARG B 1 65 ? -9.46644  4.05525   15.59055  1.000 16.05047  ? 62  ARG B N   1 
ATOM   1189 C CA  . ARG B 1 65 ? -10.15118 2.91068   14.99959  1.000 18.63828  ? 62  ARG B CA  1 
ATOM   1190 C C   . ARG B 1 65 ? -9.24464  1.69544   15.11485  1.000 14.33886  ? 62  ARG B C   1 
ATOM   1191 O O   . ARG B 1 65 ? -8.12742  1.70223   14.59073  1.000 15.96245  ? 62  ARG B O   1 
ATOM   1192 C CB  . ARG B 1 65 ? -10.50501 3.16924   13.52979  1.000 16.40465  ? 62  ARG B CB  1 
ATOM   1193 C CG  . ARG B 1 65 ? -11.40683 4.34805   13.34065  1.000 15.65024  ? 62  ARG B CG  1 
ATOM   1194 C CD  . ARG B 1 65 ? -12.79411 4.07851   13.92854  1.000 18.07448  ? 62  ARG B CD  1 
ATOM   1195 N NE  . ARG B 1 65 ? -13.70173 5.19097   13.69631  1.000 18.98031  ? 62  ARG B NE  1 
ATOM   1196 C CZ  . ARG B 1 65 ? -13.85169 6.22575   14.51022  1.000 18.23416  ? 62  ARG B CZ  1 
ATOM   1197 N NH1 . ARG B 1 65 ? -13.15889 6.32697   15.63532  1.000 17.53921  ? 62  ARG B NH1 1 
ATOM   1198 N NH2 . ARG B 1 65 ? -14.71309 7.18496   14.18416  1.000 20.37467  ? 62  ARG B NH2 1 
ATOM   1199 N N   . VAL B 1 66 ? -9.72768  0.65503   15.78050  1.000 15.63981  ? 63  VAL B N   1 
ATOM   1200 C CA  . VAL B 1 66 ? -9.01324  -0.60432  15.95570  1.000 16.05695  ? 63  VAL B CA  1 
ATOM   1201 C C   . VAL B 1 66 ? -9.73439  -1.66637  15.13593  1.000 16.25764  ? 63  VAL B C   1 
ATOM   1202 O O   . VAL B 1 66 ? -10.94893 -1.83553  15.27153  1.000 16.26539  ? 63  VAL B O   1 
ATOM   1203 C CB  . VAL B 1 66 ? -8.96864  -1.00744  17.44349  1.000 17.31497  ? 63  VAL B CB  1 
ATOM   1204 C CG1 . VAL B 1 66 ? -8.35855  -2.36984  17.60321  1.000 18.35799  ? 63  VAL B CG1 1 
ATOM   1205 C CG2 . VAL B 1 66 ? -8.21052  0.02770   18.25914  1.000 17.43958  ? 63  VAL B CG2 1 
ATOM   1206 N N   . TYR B 1 67 ? -8.98562  -2.38349  14.29066  1.000 15.71370  ? 64  TYR B N   1 
ATOM   1207 C CA  . TYR B 1 67 ? -9.53527  -3.41910  13.41050  1.000 15.57280  ? 64  TYR B CA  1 
ATOM   1208 C C   . TYR B 1 67 ? -9.13589  -4.77441  13.98269  1.000 15.86583  ? 64  TYR B C   1 
ATOM   1209 O O   . TYR B 1 67 ? -7.95657  -5.14043  13.97215  1.000 17.68006  ? 64  TYR B O   1 
ATOM   1210 C CB  . TYR B 1 67 ? -9.11116  -3.20442  11.94146  1.000 14.67724  ? 64  TYR B CB  1 
ATOM   1211 C CG  . TYR B 1 67 ? -9.62452  -1.87474  11.46099  1.000 13.15609  ? 64  TYR B CG  1 
ATOM   1212 C CD1 . TYR B 1 67 ? -10.91639 -1.75447  10.95730  1.000 14.46861  ? 64  TYR B CD1 1 
ATOM   1213 C CD2 . TYR B 1 67 ? -8.86856  -0.72625  11.59183  1.000 14.11806  ? 64  TYR B CD2 1 
ATOM   1214 C CE1 . TYR B 1 67 ? -11.42444 -0.52398  10.58628  1.000 13.83510  ? 64  TYR B CE1 1 
ATOM   1215 C CE2 . TYR B 1 67 ? -9.36359  0.50738   11.22307  1.000 13.63836  ? 64  TYR B CE2 1 
ATOM   1216 C CZ  . TYR B 1 67 ? -10.64941 0.60269   10.72795  1.000 12.70586  ? 64  TYR B CZ  1 
ATOM   1217 O OH  . TYR B 1 67 ? -11.14260 1.83484   10.38208  1.000 16.86127  ? 64  TYR B OH  1 
ATOM   1218 N N   . ALA B 1 68 ? -10.10541 -5.46952  14.57576  1.000 18.75934  ? 65  ALA B N   1 
ATOM   1219 C CA  . ALA B 1 68 ? -9.86474  -6.71788  15.29078  1.000 16.49997  ? 65  ALA B CA  1 
ATOM   1220 C C   . ALA B 1 68 ? -10.35326 -7.86832  14.42325  1.000 18.74719  ? 65  ALA B C   1 
ATOM   1221 O O   . ALA B 1 68 ? -11.52529 -7.90027  14.03963  1.000 19.75363  ? 65  ALA B O   1 
ATOM   1222 C CB  . ALA B 1 68 ? -10.61740 -6.71515  16.62483  1.000 17.12756  ? 65  ALA B CB  1 
ATOM   1223 N N   . SER B 1 69 ? -9.47018  -8.81202  14.11772  1.000 18.14343  ? 66  SER B N   1 
ATOM   1224 C CA  . SER B 1 69 ? -9.81453  -9.90279  13.21565  1.000 21.14195  ? 66  SER B CA  1 
ATOM   1225 C C   . SER B 1 69 ? -9.76851  -11.24630 13.92595  1.000 25.79766  ? 66  SER B C   1 
ATOM   1226 O O   . SER B 1 69 ? -8.83243  -11.53489 14.67683  1.000 26.30320  ? 66  SER B O   1 
ATOM   1227 C CB  . SER B 1 69 ? -8.88431  -9.93624  12.00424  1.000 22.61200  ? 66  SER B CB  1 
ATOM   1228 O OG  . SER B 1 69 ? -9.02432  -8.74495  11.25331  1.000 23.90685  ? 66  SER B OG  1 
ATOM   1229 N N   . THR B 1 70 ? -10.79351 -12.05803 13.67555  1.000 27.42869  ? 67  THR B N   1 
ATOM   1230 C CA  . THR B 1 70 ? -10.85821 -13.43847 14.13748  1.000 32.38255  ? 67  THR B CA  1 
ATOM   1231 C C   . THR B 1 70 ? -11.42902 -14.25249 12.98891  1.000 28.14640  ? 67  THR B C   1 
ATOM   1232 O O   . THR B 1 70 ? -12.54065 -13.97811 12.53458  1.000 30.41193  ? 67  THR B O   1 
ATOM   1233 C CB  . THR B 1 70 ? -11.76505 -13.55280 15.36549  1.000 35.01536  ? 67  THR B CB  1 
ATOM   1234 O OG1 . THR B 1 70 ? -11.27745 -12.69127 16.40090  1.000 35.88019  ? 67  THR B OG1 1 
ATOM   1235 C CG2 . THR B 1 70 ? -11.78641 -14.98253 15.87535  1.000 41.74338  ? 67  THR B CG2 1 
ATOM   1236 N N   . GLY B 1 71 ? -10.67301 -15.23467 12.51225  1.000 29.93936  ? 68  GLY B N   1 
ATOM   1237 C CA  . GLY B 1 71 ? -11.09038 -15.92969 11.30609  1.000 29.31026  ? 68  GLY B CA  1 
ATOM   1238 C C   . GLY B 1 71 ? -11.12104 -14.95227 10.14942  1.000 33.71199  ? 68  GLY B C   1 
ATOM   1239 O O   . GLY B 1 71 ? -10.17860 -14.18194 9.93871   1.000 31.94483  ? 68  GLY B O   1 
ATOM   1240 N N   . THR B 1 72 ? -12.22143 -14.94828 9.39829   1.000 31.60357  ? 69  THR B N   1 
ATOM   1241 C CA  . THR B 1 72 ? -12.37341 -14.02496 8.28278   1.000 34.98182  ? 69  THR B CA  1 
ATOM   1242 C C   . THR B 1 72 ? -13.22376 -12.81040 8.62699   1.000 30.04747  ? 69  THR B C   1 
ATOM   1243 O O   . THR B 1 72 ? -13.61570 -12.06778 7.72207   1.000 31.49168  ? 69  THR B O   1 
ATOM   1244 C CB  . THR B 1 72 ? -12.93432 -14.73953 7.04695   1.000 43.00035  ? 69  THR B CB  1 
ATOM   1245 O OG1 . THR B 1 72 ? -14.21967 -15.29245 7.34644   1.000 36.83989  ? 69  THR B OG1 1 
ATOM   1246 C CG2 . THR B 1 72 ? -11.99654 -15.85252 6.59704   1.000 46.86543  ? 69  THR B CG2 1 
ATOM   1247 N N   . THR B 1 73 ? -13.51783 -12.58493 9.90571   1.000 29.29299  ? 70  THR B N   1 
ATOM   1248 C CA  . THR B 1 73 ? -14.38304 -11.48810 10.32416  1.000 25.72928  ? 70  THR B CA  1 
ATOM   1249 C C   . THR B 1 73 ? -13.55469 -10.41717 11.02061  1.000 22.36827  ? 70  THR B C   1 
ATOM   1250 O O   . THR B 1 73 ? -12.93156 -10.67945 12.05450  1.000 25.53868  ? 70  THR B O   1 
ATOM   1251 C CB  . THR B 1 73 ? -15.48986 -11.98462 11.25144  1.000 31.42018  ? 70  THR B CB  1 
ATOM   1252 O OG1 . THR B 1 73 ? -16.21566 -13.03344 10.60257  1.000 34.99524  ? 70  THR B OG1 1 
ATOM   1253 C CG2 . THR B 1 73 ? -16.44578 -10.85088 11.58185  1.000 31.64901  ? 70  THR B CG2 1 
ATOM   1254 N N   . THR B 1 74 ? -13.56876 -9.21234  10.46206  1.000 23.29409  ? 71  THR B N   1 
ATOM   1255 C CA  . THR B 1 74 ? -12.88164 -8.06593  11.04002  1.000 20.35440  ? 71  THR B CA  1 
ATOM   1256 C C   . THR B 1 74 ? -13.93457 -7.12489  11.60172  1.000 20.84871  ? 71  THR B C   1 
ATOM   1257 O O   . THR B 1 74 ? -14.83794 -6.69901  10.87593  1.000 21.04578  ? 71  THR B O   1 
ATOM   1258 C CB  . THR B 1 74 ? -12.03341 -7.35782  9.98185   1.000 21.07089  ? 71  THR B CB  1 
ATOM   1259 O OG1 . THR B 1 74 ? -11.04350 -8.26751  9.48996   1.000 22.56035  ? 71  THR B OG1 1 
ATOM   1260 C CG2 . THR B 1 74 ? -11.34221 -6.13304  10.57922  1.000 20.40544  ? 71  THR B CG2 1 
ATOM   1261 N N   . THR B 1 75 ? -13.82413 -6.81798  12.89226  1.000 18.83387  ? 72  THR B N   1 
ATOM   1262 C CA  . THR B 1 75 ? -14.70180 -5.87793  13.57227  1.000 18.56754  ? 72  THR B CA  1 
ATOM   1263 C C   . THR B 1 75 ? -13.92866 -4.59363  13.82997  1.000 16.51494  ? 72  THR B C   1 
ATOM   1264 O O   . THR B 1 75 ? -12.80596 -4.63657  14.33726  1.000 17.86728  ? 72  THR B O   1 
ATOM   1265 C CB  . THR B 1 75 ? -15.16587 -6.45368  14.91116  1.000 23.25920  ? 72  THR B CB  1 
ATOM   1266 O OG1 . THR B 1 75 ? -15.82396 -7.70502  14.69018  1.000 26.64581  ? 72  THR B OG1 1 
ATOM   1267 C CG2 . THR B 1 75 ? -16.12094 -5.49436  15.59545  1.000 20.79281  ? 72  THR B CG2 1 
ATOM   1268 N N   . GLU B 1 76 ? -14.53182 -3.46157  13.48641  1.000 15.78341  ? 73  GLU B N   1 
ATOM   1269 C CA  . GLU B 1 76 ? -13.96747 -2.14848  13.76257  1.000 16.68164  ? 73  GLU B CA  1 
ATOM   1270 C C   . GLU B 1 76 ? -14.51567 -1.62380  15.08249  1.000 14.69730  ? 73  GLU B C   1 
ATOM   1271 O O   . GLU B 1 76 ? -15.72605 -1.64041  15.31201  1.000 17.55074  ? 73  GLU B O   1 
ATOM   1272 C CB  . GLU B 1 76 ? -14.34766 -1.17755  12.65320  1.000 17.81517  ? 73  GLU B CB  1 
ATOM   1273 C CG  . GLU B 1 76 ? -13.88968 0.24971   12.85948  1.000 15.78166  ? 73  GLU B CG  1 
ATOM   1274 C CD  . GLU B 1 76 ? -14.49157 1.17392   11.82515  1.000 14.10986  ? 73  GLU B CD  1 
ATOM   1275 O OE1 . GLU B 1 76 ? -15.70166 1.07799   11.61190  1.000 15.98443  ? 73  GLU B OE1 1 
ATOM   1276 O OE2 . GLU B 1 76 ? -13.76287 1.98393   11.20861  1.000 15.92192  ? 73  GLU B OE2 1 
ATOM   1277 N N   . TRP B 1 77 ? -13.60633 -1.17463  15.93902  1.000 14.86680  ? 74  TRP B N   1 
ATOM   1278 C CA  . TRP B 1 77 ? -13.93949 -0.55835  17.21599  1.000 16.23482  ? 74  TRP B CA  1 
ATOM   1279 C C   . TRP B 1 77 ? -13.49279 0.89667   17.18252  1.000 16.66125  ? 74  TRP B C   1 
ATOM   1280 O O   . TRP B 1 77 ? -12.40244 1.20916   16.69566  1.000 14.99866  ? 74  TRP B O   1 
ATOM   1281 C CB  . TRP B 1 77 ? -13.26608 -1.31249  18.36700  1.000 17.10932  ? 74  TRP B CB  1 
ATOM   1282 C CG  . TRP B 1 77 ? -13.79312 -2.68315  18.50228  1.000 18.32202  ? 74  TRP B CG  1 
ATOM   1283 C CD1 . TRP B 1 77 ? -13.25681 -3.82993  18.00436  1.000 17.27110  ? 74  TRP B CD1 1 
ATOM   1284 C CD2 . TRP B 1 77 ? -15.02741 -3.05445  19.12769  1.000 19.30742  ? 74  TRP B CD2 1 
ATOM   1285 N NE1 . TRP B 1 77 ? -14.07170 -4.90262  18.29907  1.000 20.54940  ? 74  TRP B NE1 1 
ATOM   1286 C CE2 . TRP B 1 77 ? -15.16284 -4.45048  18.99409  1.000 20.43890  ? 74  TRP B CE2 1 
ATOM   1287 C CE3 . TRP B 1 77 ? -16.01756 -2.34276  19.80209  1.000 20.54128  ? 74  TRP B CE3 1 
ATOM   1288 C CZ2 . TRP B 1 77 ? -16.25783 -5.14799  19.51017  1.000 24.80700  ? 74  TRP B CZ2 1 
ATOM   1289 C CZ3 . TRP B 1 77 ? -17.10841 -3.03823  20.31598  1.000 25.38169  ? 74  TRP B CZ3 1 
ATOM   1290 C CH2 . TRP B 1 77 ? -17.21172 -4.42481  20.16930  1.000 24.30786  ? 74  TRP B CH2 1 
ATOM   1291 N N   . CYS B 1 78 ? -14.33204 1.78012   17.69688  1.000 16.19983  ? 75  CYS B N   1 
ATOM   1292 C CA  . CYS B 1 78 ? -14.21134 3.21871   17.51401  1.000 14.73438  ? 75  CYS B CA  1 
ATOM   1293 C C   . CYS B 1 78 ? -14.14879 3.89898   18.87038  1.000 18.51232  ? 75  CYS B C   1 
ATOM   1294 O O   . CYS B 1 78 ? -15.04215 3.70524   19.70954  1.000 19.75886  ? 75  CYS B O   1 
ATOM   1295 C CB  . CYS B 1 78 ? -15.44172 3.76566   16.79388  1.000 18.53491  ? 75  CYS B CB  1 
ATOM   1296 S SG  . CYS B 1 78 ? -15.80418 2.93489   15.26671  1.000 19.85133  ? 75  CYS B SG  1 
ATOM   1297 N N   . TRP B 1 79 ? -13.12199 4.71904   19.06499  1.000 19.91951  ? 76  TRP B N   1 
ATOM   1298 C CA  . TRP B 1 79 ? -13.04579 5.64609   20.18564  1.000 19.78578  ? 76  TRP B CA  1 
ATOM   1299 C C   . TRP B 1 79 ? -13.23111 7.05704   19.65266  1.000 23.85169  ? 76  TRP B C   1 
ATOM   1300 O O   . TRP B 1 79 ? -12.44584 7.51916   18.81787  1.000 22.91795  ? 76  TRP B O   1 
ATOM   1301 C CB  . TRP B 1 79 ? -11.69352 5.56421   20.88456  1.000 20.75006  ? 76  TRP B CB  1 
ATOM   1302 C CG  . TRP B 1 79 ? -11.58363 6.60560   21.95621  1.000 26.72462  ? 76  TRP B CG  1 
ATOM   1303 C CD1 . TRP B 1 79 ? -11.14116 7.89159   21.82230  1.000 25.38457  ? 76  TRP B CD1 1 
ATOM   1304 C CD2 . TRP B 1 79 ? -11.96027 6.45110   23.32207  1.000 27.41129  ? 76  TRP B CD2 1 
ATOM   1305 N NE1 . TRP B 1 79 ? -11.20586 8.54259   23.03204  1.000 27.62523  ? 76  TRP B NE1 1 
ATOM   1306 C CE2 . TRP B 1 79 ? -11.70155 7.67668   23.97013  1.000 25.62536  ? 76  TRP B CE2 1 
ATOM   1307 C CE3 . TRP B 1 79 ? -12.48267 5.38953   24.06555  1.000 26.51981  ? 76  TRP B CE3 1 
ATOM   1308 C CZ2 . TRP B 1 79 ? -11.95545 7.87160   25.32782  1.000 28.20710  ? 76  TRP B CZ2 1 
ATOM   1309 C CZ3 . TRP B 1 79 ? -12.73113 5.58282   25.41148  1.000 28.08620  ? 76  TRP B CZ3 1 
ATOM   1310 C CH2 . TRP B 1 79 ? -12.46480 6.81432   26.02940  1.000 34.31492  ? 76  TRP B CH2 1 
ATOM   1311 N N   . ASP B 1 80 ? -14.24731 7.74968   20.15842  1.000 28.29220  ? 77  ASP B N   1 
ATOM   1312 C CA  . ASP B 1 80 ? -14.55467 9.10353   19.72358  1.000 27.49750  ? 77  ASP B CA  1 
ATOM   1313 C C   . ASP B 1 80 ? -14.80101 10.00328  20.92064  1.000 34.30634  ? 77  ASP B C   1 
ATOM   1314 O O   . ASP B 1 80 ? -15.65225 10.89532  20.88946  1.000 33.82301  ? 77  ASP B O   1 
ATOM   1315 C CB  . ASP B 1 80 ? -15.73475 9.11368   18.76041  1.000 28.86647  ? 77  ASP B CB  1 
ATOM   1316 C CG  . ASP B 1 80 ? -15.44089 8.35147   17.49094  1.000 24.15553  ? 77  ASP B CG  1 
ATOM   1317 O OD1 . ASP B 1 80 ? -14.58146 8.81109   16.71328  1.000 28.99550  ? 77  ASP B OD1 1 
ATOM   1318 O OD2 . ASP B 1 80 ? -16.04341 7.27782   17.29388  1.000 29.03177  ? 77  ASP B OD2 1 
ATOM   1319 N N   . GLY B 1 81 ? -14.06170 9.76663   22.00136  1.000 29.75754  ? 78  GLY B N   1 
ATOM   1320 C CA  . GLY B 1 81 ? -14.09276 10.61862  23.16705  1.000 40.44557  ? 78  GLY B CA  1 
ATOM   1321 C C   . GLY B 1 81 ? -14.96120 10.13151  24.30686  1.000 44.83895  ? 78  GLY B C   1 
ATOM   1322 O O   . GLY B 1 81 ? -14.91340 10.73080  25.38698  1.000 37.41674  ? 78  GLY B O   1 
ATOM   1323 N N   . ASN B 1 82 ? -15.74759 9.07527   24.11216  1.000 30.02175  ? 79  ASN B N   1 
ATOM   1324 C CA  . ASN B 1 82 ? -16.64377 8.60638   25.16519  1.000 43.41462  ? 79  ASN B CA  1 
ATOM   1325 C C   . ASN B 1 82 ? -16.96391 7.11806   25.00881  1.000 38.45555  ? 79  ASN B C   1 
ATOM   1326 O O   . ASN B 1 82 ? -18.10948 6.71855   24.80576  1.000 41.54497  ? 79  ASN B O   1 
ATOM   1327 C CB  . ASN B 1 82 ? -17.90222 9.47145   25.21072  1.000 50.13145  ? 79  ASN B CB  1 
ATOM   1328 C CG  . ASN B 1 82 ? -18.38935 9.86521   23.82685  1.000 57.47171  ? 79  ASN B CG  1 
ATOM   1329 O OD1 . ASN B 1 82 ? -18.81177 9.01684   23.03855  1.000 60.57872  ? 79  ASN B OD1 1 
ATOM   1330 N ND2 . ASN B 1 82 ? -18.34058 11.15975  23.52583  1.000 54.62046  ? 79  ASN B ND2 1 
ATOM   1331 N N   . GLY B 1 83 ? -15.94799 6.26870   25.12910  1.000 28.62406  ? 80  GLY B N   1 
ATOM   1332 C CA  . GLY B 1 83 ? -16.13506 4.83200   25.12416  1.000 26.29091  ? 80  GLY B CA  1 
ATOM   1333 C C   . GLY B 1 83 ? -15.96081 4.21460   23.74538  1.000 22.48321  ? 80  GLY B C   1 
ATOM   1334 O O   . GLY B 1 83 ? -16.06612 4.87636   22.71605  1.000 29.42898  ? 80  GLY B O   1 
ATOM   1335 N N   . TRP B 1 84 ? -15.71116 2.90428   23.74259  1.000 19.94093  ? 81  TRP B N   1 
ATOM   1336 C CA  . TRP B 1 84 ? -15.48647 2.16202   22.50221  1.000 19.40283  ? 81  TRP B CA  1 
ATOM   1337 C C   . TRP B 1 84 ? -16.80543 1.62516   21.96238  1.000 23.62016  ? 81  TRP B C   1 
ATOM   1338 O O   . TRP B 1 84 ? -17.50582 0.87694   22.65769  1.000 25.44259  ? 81  TRP B O   1 
ATOM   1339 C CB  . TRP B 1 84 ? -14.53790 0.99328   22.73919  1.000 19.47734  ? 81  TRP B CB  1 
ATOM   1340 C CG  . TRP B 1 84 ? -13.13861 1.41694   23.01277  1.000 18.01972  ? 81  TRP B CG  1 
ATOM   1341 C CD1 . TRP B 1 84 ? -12.55845 1.63886   24.23365  1.000 20.76150  ? 81  TRP B CD1 1 
ATOM   1342 C CD2 . TRP B 1 84 ? -12.13134 1.68588   22.03106  1.000 19.96423  ? 81  TRP B CD2 1 
ATOM   1343 N NE1 . TRP B 1 84 ? -11.25501 2.02966   24.06416  1.000 20.23950  ? 81  TRP B NE1 1 
ATOM   1344 C CE2 . TRP B 1 84 ? -10.97002 2.06703   22.72249  1.000 16.62590  ? 81  TRP B CE2 1 
ATOM   1345 C CE3 . TRP B 1 84 ? -12.10438 1.65599   20.62922  1.000 17.98954  ? 81  TRP B CE3 1 
ATOM   1346 C CZ2 . TRP B 1 84 ? -9.78472  2.39591   22.06863  1.000 18.80424  ? 81  TRP B CZ2 1 
ATOM   1347 C CZ3 . TRP B 1 84 ? -10.92519 1.97993   19.98031  1.000 20.10939  ? 81  TRP B CZ3 1 
ATOM   1348 C CH2 . TRP B 1 84 ? -9.78384  2.34835   20.69553  1.000 17.60659  ? 81  TRP B CH2 1 
ATOM   1349 N N   . THR B 1 85 ? -17.12624 1.97470   20.71362  1.000 22.88560  ? 82  THR B N   1 
ATOM   1350 C CA  . THR B 1 85 ? -18.35206 1.53767   20.06161  1.000 19.70261  ? 82  THR B CA  1 
ATOM   1351 C C   . THR B 1 85 ? -18.01777 0.82522   18.75795  1.000 18.14448  ? 82  THR B C   1 
ATOM   1352 O O   . THR B 1 85 ? -16.99626 1.10636   18.12061  1.000 20.14402  ? 82  THR B O   1 
ATOM   1353 C CB  . THR B 1 85 ? -19.25855 2.73279   19.74801  1.000 23.61506  ? 82  THR B CB  1 
ATOM   1354 O OG1 . THR B 1 85 ? -18.64334 3.55652   18.75004  1.000 29.59969  ? 82  THR B OG1 1 
ATOM   1355 C CG2 . THR B 1 85 ? -19.48531 3.56761   21.00421  1.000 25.88300  ? 82  THR B CG2 1 
ATOM   1356 N N   . LYS B 1 86 ? -18.87892 -0.10666  18.37120  1.000 18.32402  ? 83  LYS B N   1 
ATOM   1357 C CA  . LYS B 1 86 ? -18.64233 -0.88564  17.16445  1.000 17.59209  ? 83  LYS B CA  1 
ATOM   1358 C C   . LYS B 1 86 ? -18.91825 -0.02315  15.93598  1.000 17.51002  ? 83  LYS B C   1 
ATOM   1359 O O   . LYS B 1 86 ? -19.94162 0.66115   15.85660  1.000 19.97820  ? 83  LYS B O   1 
ATOM   1360 C CB  . LYS B 1 86 ? -19.53218 -2.12887  17.18409  1.000 25.50473  ? 83  LYS B CB  1 
ATOM   1361 C CG  . LYS B 1 86 ? -19.04511 -3.28525  16.33917  1.000 36.58818  ? 83  LYS B CG  1 
ATOM   1362 C CD  . LYS B 1 86 ? -19.75516 -4.58081  16.73635  1.000 33.36143  ? 83  LYS B CD  1 
ATOM   1363 C CE  . LYS B 1 86 ? -21.24997 -4.51793  16.43603  1.000 32.69698  ? 83  LYS B CE  1 
ATOM   1364 N NZ  . LYS B 1 86 ? -22.04412 -5.01596  17.58978  1.000 40.92880  ? 83  LYS B NZ  1 
ATOM   1365 N N   . GLY B 1 87 ? -17.99151 -0.04053  14.98057  1.000 18.21153  ? 84  GLY B N   1 
ATOM   1366 C CA  . GLY B 1 87 ? -18.15302 0.75612   13.77819  1.000 18.78362  ? 84  GLY B CA  1 
ATOM   1367 C C   . GLY B 1 87 ? -18.83322 0.01903   12.62690  1.000 15.36409  ? 84  GLY B C   1 
ATOM   1368 O O   . GLY B 1 87 ? -19.09345 -1.17962  12.68450  1.000 19.03718  ? 84  GLY B O   1 
ATOM   1369 N N   . ALA B 1 88 ? -19.07696 0.76365   11.55148  1.000 18.41527  ? 85  ALA B N   1 
ATOM   1370 C CA  . ALA B 1 88 ? -19.78556 0.21655   10.40484  1.000 16.37743  ? 85  ALA B CA  1 
ATOM   1371 C C   . ALA B 1 88 ? -18.92842 -0.68392  9.52220   1.000 16.17911  ? 85  ALA B C   1 
ATOM   1372 O O   . ALA B 1 88 ? -19.47648 -1.30406  8.61066   1.000 17.02301  ? 85  ALA B O   1 
ATOM   1373 C CB  . ALA B 1 88 ? -20.35786 1.35109   9.55238   1.000 17.46201  ? 85  ALA B CB  1 
ATOM   1374 N N   . TYR B 1 89 ? -17.61208 -0.76153  9.73860   1.000 16.65464  ? 86  TYR B N   1 
ATOM   1375 C CA  . TYR B 1 89 ? -16.74979 -1.52029  8.83574   1.000 17.42008  ? 86  TYR B CA  1 
ATOM   1376 C C   . TYR B 1 89 ? -17.26991 -2.93672  8.60191   1.000 15.47496  ? 86  TYR B C   1 
ATOM   1377 O O   . TYR B 1 89 ? -17.61376 -3.66303  9.54294   1.000 16.98501  ? 86  TYR B O   1 
ATOM   1378 C CB  . TYR B 1 89 ? -15.32689 -1.58752  9.40881   1.000 14.72660  ? 86  TYR B CB  1 
ATOM   1379 C CG  . TYR B 1 89 ? -14.39206 -2.41565  8.54862   1.000 15.08763  ? 86  TYR B CG  1 
ATOM   1380 C CD1 . TYR B 1 89 ? -14.25653 -3.78714  8.74398   1.000 16.22427  ? 86  TYR B CD1 1 
ATOM   1381 C CD2 . TYR B 1 89 ? -13.65734 -1.83105  7.52359   1.000 15.93833  ? 86  TYR B CD2 1 
ATOM   1382 C CE1 . TYR B 1 89 ? -13.43242 -4.55500  7.93110   1.000 18.01288  ? 86  TYR B CE1 1 
ATOM   1383 C CE2 . TYR B 1 89 ? -12.83003 -2.59124  6.70799   1.000 15.73051  ? 86  TYR B CE2 1 
ATOM   1384 C CZ  . TYR B 1 89 ? -12.70741 -3.94671  6.92393   1.000 16.28637  ? 86  TYR B CZ  1 
ATOM   1385 O OH  . TYR B 1 89 ? -11.88806 -4.70229  6.10674   1.000 17.34126  ? 86  TYR B OH  1 
ATOM   1386 N N   . THR B 1 90 ? -17.33778 -3.32337  7.32853   1.000 16.97800  ? 87  THR B N   1 
ATOM   1387 C CA  . THR B 1 90 ? -17.51266 -4.71629  6.95651   1.000 18.45990  ? 87  THR B CA  1 
ATOM   1388 C C   . THR B 1 90 ? -16.55652 -5.02179  5.81472   1.000 19.44110  ? 87  THR B C   1 
ATOM   1389 O O   . THR B 1 90 ? -16.09964 -4.12451  5.10115   1.000 17.10175  ? 87  THR B O   1 
ATOM   1390 C CB  . THR B 1 90 ? -18.92204 -5.02318  6.44068   1.000 19.95370  ? 87  THR B CB  1 
ATOM   1391 O OG1 . THR B 1 90 ? -19.19481 -4.21303  5.28775   1.000 20.46169  ? 87  THR B OG1 1 
ATOM   1392 C CG2 . THR B 1 90 ? -19.98277 -4.78536  7.51959   1.000 21.27407  ? 87  THR B CG2 1 
ATOM   1393 N N   . ALA B 1 91 ? -16.27966 -6.31362  5.65006   1.000 21.62988  ? 88  ALA B N   1 
ATOM   1394 C CA  . ALA B 1 91 ? -15.58862 -6.84871  4.48848   1.000 34.27068  ? 88  ALA B CA  1 
ATOM   1395 C C   . ALA B 1 91 ? -16.22022 -8.19340  4.15534   1.000 42.67511  ? 88  ALA B C   1 
ATOM   1396 O O   . ALA B 1 91 ? -17.01496 -8.73837  4.92846   1.000 46.73467  ? 88  ALA B O   1 
ATOM   1397 C CB  . ALA B 1 91 ? -14.09292 -7.00537  4.75867   1.000 26.92887  ? 88  ALA B CB  1 
ATOM   1398 N N   . THR B 1 92 ? -15.86934 -8.73314  2.99121   1.000 45.49797  ? 89  THR B N   1 
ATOM   1399 C CA  . THR B 1 92 ? -16.36171 -10.03963 2.55133   1.000 42.09944  ? 89  THR B CA  1 
ATOM   1400 C C   . THR B 1 92 ? -15.15531 -10.93936 2.30247   0.000 47.05901  ? 89  THR B C   1 
ATOM   1401 O O   . THR B 1 92 ? -14.69895 -11.09946 1.16862   0.000 49.71245  ? 89  THR B O   1 
ATOM   1402 C CB  . THR B 1 92 ? -17.25816 -9.91264  1.31405   1.000 49.41165  ? 89  THR B CB  1 
ATOM   1403 O OG1 . THR B 1 92 ? -16.55609 -9.20983  0.28116   1.000 47.26549  ? 89  THR B OG1 1 
ATOM   1404 C CG2 . THR B 1 92 ? -18.53467 -9.16174  1.65986   1.000 44.59875  ? 89  THR B CG2 1 
ATOM   1405 N N   . ASN B 1 93 ? -14.64262 -11.52877 3.37741   0.000 45.10702  ? 90  ASN B N   1 
ATOM   1406 C CA  . ASN B 1 93 ? -13.47042 -12.39121 3.30377   0.000 44.93272  ? 90  ASN B CA  1 
ATOM   1407 C C   . ASN B 1 93 ? -13.86649 -13.86319 3.24919   0.000 44.76339  ? 90  ASN B C   1 
ATOM   1408 O O   . ASN B 1 93 ? -13.16515 -14.68255 2.65541   0.000 44.47546  ? 90  ASN B O   1 
ATOM   1409 C CB  . ASN B 1 93 ? -12.55344 -12.13599 4.50124   0.000 40.98851  ? 90  ASN B CB  1 
ATOM   1410 C CG  . ASN B 1 93 ? -11.88263 -10.77830 4.44197   0.000 36.14518  ? 90  ASN B CG  1 
ATOM   1411 O OD1 . ASN B 1 93 ? -11.31768 -10.39635 3.41695   0.000 34.38995  ? 90  ASN B OD1 1 
ATOM   1412 N ND2 . ASN B 1 93 ? -11.94755 -10.03773 5.54210   0.000 33.34836  ? 90  ASN B ND2 1 
ATOM   1413 N N   . MET C 1 1  ? -7.30274  -27.19171 4.95329   0.000 39.71298  ? -2  MET C N   1 
ATOM   1414 C CA  . MET C 1 1  ? -7.22995  -26.50522 6.23721   0.000 48.06548  ? -2  MET C CA  1 
ATOM   1415 C C   . MET C 1 1  ? -8.19757  -25.33039 6.26859   1.000 59.75006  ? -2  MET C C   1 
ATOM   1416 O O   . MET C 1 1  ? -8.41786  -24.66724 5.25329   1.000 55.41287  ? -2  MET C O   1 
ATOM   1417 C CB  . MET C 1 1  ? -5.80086  -26.02328 6.50159   0.000 47.70069  ? -2  MET C CB  1 
ATOM   1418 C CG  . MET C 1 1  ? -5.55312  -25.45780 7.89624   0.000 53.92609  ? -2  MET C CG  1 
ATOM   1419 S SD  . MET C 1 1  ? -4.85104  -26.66067 9.04423   0.000 55.71109  ? -2  MET C SD  1 
ATOM   1420 C CE  . MET C 1 1  ? -6.32936  -27.30027 9.82198   0.000 48.64720  ? -2  MET C CE  1 
ATOM   1421 N N   . LYS C 1 2  ? -8.78525  -25.09177 7.43812   1.000 62.79853  ? -1  LYS C N   1 
ATOM   1422 C CA  . LYS C 1 2  ? -9.62171  -23.91592 7.62682   1.000 64.11793  ? -1  LYS C CA  1 
ATOM   1423 C C   . LYS C 1 2  ? -8.76652  -22.66344 7.48758   1.000 65.07458  ? -1  LYS C C   1 
ATOM   1424 O O   . LYS C 1 2  ? -7.62076  -22.62266 7.94599   1.000 65.45315  ? -1  LYS C O   1 
ATOM   1425 C CB  . LYS C 1 2  ? -10.26198 -23.96331 9.01413   1.000 63.86410  ? -1  LYS C CB  1 
ATOM   1426 C CG  . LYS C 1 2  ? -11.34094 -22.92121 9.25701   1.000 67.41201  ? -1  LYS C CG  1 
ATOM   1427 C CD  . LYS C 1 2  ? -12.20481 -23.31379 10.44675  1.000 60.25176  ? -1  LYS C CD  1 
ATOM   1428 C CE  . LYS C 1 2  ? -13.41745 -22.41062 10.58708  1.000 60.69619  ? -1  LYS C CE  1 
ATOM   1429 N NZ  . LYS C 1 2  ? -13.06036 -21.07400 11.13513  1.000 65.46990  ? -1  LYS C NZ  1 
ATOM   1430 N N   . ALA C 1 3  ? -9.32109  -21.64507 6.83164   1.000 62.93565  ? 0   ALA C N   1 
ATOM   1431 C CA  . ALA C 1 3  ? -8.57081  -20.42066 6.58529   1.000 64.56204  ? 0   ALA C CA  1 
ATOM   1432 C C   . ALA C 1 3  ? -8.16019  -19.77711 7.90339   1.000 59.96628  ? 0   ALA C C   1 
ATOM   1433 O O   . ALA C 1 3  ? -8.99436  -19.55340 8.78640   1.000 56.05851  ? 0   ALA C O   1 
ATOM   1434 C CB  . ALA C 1 3  ? -9.41601  -19.44763 5.76316   1.000 58.68598  ? 0   ALA C CB  1 
ATOM   1435 N N   . ALA C 1 4  ? -6.86516  -19.49796 8.03996   1.000 57.39785  ? 1   ALA C N   1 
ATOM   1436 C CA  . ALA C 1 4  ? -6.35938  -18.85462 9.24290   1.000 52.75799  ? 1   ALA C CA  1 
ATOM   1437 C C   . ALA C 1 4  ? -6.88058  -17.42401 9.34037   1.000 47.87841  ? 1   ALA C C   1 
ATOM   1438 O O   . ALA C 1 4  ? -7.38454  -16.85142 8.36951   1.000 51.33747  ? 1   ALA C O   1 
ATOM   1439 C CB  . ALA C 1 4  ? -4.83021  -18.84772 9.24615   1.000 50.70314  ? 1   ALA C CB  1 
ATOM   1440 N N   . SER C 1 5  ? -6.76063  -16.85009 10.53817  1.000 42.11917  ? 2   SER C N   1 
ATOM   1441 C CA  . SER C 1 5  ? -7.28461  -15.51117 10.77830  1.000 34.40578  ? 2   SER C CA  1 
ATOM   1442 C C   . SER C 1 5  ? -6.65136  -14.51174 9.82288   1.000 26.72569  ? 2   SER C C   1 
ATOM   1443 O O   . SER C 1 5  ? -5.44403  -14.54387 9.57555   1.000 30.80151  ? 2   SER C O   1 
ATOM   1444 C CB  . SER C 1 5  ? -7.01129  -15.08070 12.21918  1.000 29.36379  ? 2   SER C CB  1 
ATOM   1445 O OG  . SER C 1 5  ? -7.90648  -15.70968 13.11626  1.000 34.79033  ? 2   SER C OG  1 
ATOM   1446 N N   . VAL C 1 6  ? -7.48066  -13.62270 9.27843   1.000 22.95216  ? 3   VAL C N   1 
ATOM   1447 C CA  . VAL C 1 6  ? -6.96651  -12.63175 8.34932   1.000 20.85042  ? 3   VAL C CA  1 
ATOM   1448 C C   . VAL C 1 6  ? -6.11267  -11.61220 9.09147   1.000 20.55149  ? 3   VAL C C   1 
ATOM   1449 O O   . VAL C 1 6  ? -6.19363  -11.44767 10.31405  1.000 24.27574  ? 3   VAL C O   1 
ATOM   1450 C CB  . VAL C 1 6  ? -8.10650  -11.95864 7.57213   1.000 21.25320  ? 3   VAL C CB  1 
ATOM   1451 C CG1 . VAL C 1 6  ? -8.87844  -12.99766 6.77693   1.000 20.93656  ? 3   VAL C CG1 1 
ATOM   1452 C CG2 . VAL C 1 6  ? -9.03165  -11.20575 8.53182   1.000 22.79379  ? 3   VAL C CG2 1 
ATOM   1453 N N   . GLN C 1 7  ? -5.27514  -10.91861 8.33214   1.000 19.39068  ? 4   GLN C N   1 
ATOM   1454 C CA  . GLN C 1 7  ? -4.35582  -9.93255  8.86870   1.000 16.86560  ? 4   GLN C CA  1 
ATOM   1455 C C   . GLN C 1 7  ? -4.62285  -8.61185  8.16651   1.000 16.54931  ? 4   GLN C C   1 
ATOM   1456 O O   . GLN C 1 7  ? -4.79270  -8.57847  6.93944   1.000 18.60478  ? 4   GLN C O   1 
ATOM   1457 C CB  . GLN C 1 7  ? -2.91850  -10.39542 8.63000   1.000 21.01953  ? 4   GLN C CB  1 
ATOM   1458 C CG  . GLN C 1 7  ? -1.85453  -9.46214  9.16630   1.000 18.25684  ? 4   GLN C CG  1 
ATOM   1459 C CD  . GLN C 1 7  ? -1.33682  -8.50834  8.11293   1.000 20.81799  ? 4   GLN C CD  1 
ATOM   1460 O OE1 . GLN C 1 7  ? -1.03970  -8.91021  6.98133   1.000 20.03816  ? 4   GLN C OE1 1 
ATOM   1461 N NE2 . GLN C 1 7  ? -1.23629  -7.22928  8.47623   1.000 21.32571  ? 4   GLN C NE2 1 
ATOM   1462 N N   . THR C 1 8  ? -4.67631  -7.52126  8.92394   1.000 18.22382  ? 5   THR C N   1 
ATOM   1463 C CA  . THR C 1 8  ? -5.05752  -6.24024  8.35246   1.000 14.30720  ? 5   THR C CA  1 
ATOM   1464 C C   . THR C 1 8  ? -4.01651  -5.16754  8.64710   1.000 15.28019  ? 5   THR C C   1 
ATOM   1465 O O   . THR C 1 8  ? -3.17944  -5.29519  9.55104   1.000 15.75124  ? 5   THR C O   1 
ATOM   1466 C CB  . THR C 1 8  ? -6.42378  -5.74694  8.84570   1.000 17.01994  ? 5   THR C CB  1 
ATOM   1467 O OG1 . THR C 1 8  ? -6.32217  -5.36306  10.21597  1.000 17.57117  ? 5   THR C OG1 1 
ATOM   1468 C CG2 . THR C 1 8  ? -7.50307  -6.81928  8.68732   1.000 17.12231  ? 5   THR C CG2 1 
ATOM   1469 N N   . ALA C 1 9  ? -4.10260  -4.09129  7.86716   1.000 14.49692  ? 6   ALA C N   1 
ATOM   1470 C CA  . ALA C 1 9  ? -3.31822  -2.88177  8.06428   1.000 14.84022  ? 6   ALA C CA  1 
ATOM   1471 C C   . ALA C 1 9  ? -4.21218  -1.70184  7.71804   1.000 14.25090  ? 6   ALA C C   1 
ATOM   1472 O O   . ALA C 1 9  ? -5.07195  -1.80228  6.83565   1.000 16.48371  ? 6   ALA C O   1 
ATOM   1473 C CB  . ALA C 1 9  ? -2.04279  -2.86256  7.20348   1.000 14.95906  ? 6   ALA C CB  1 
ATOM   1474 N N   . ALA C 1 10 ? -4.02735  -0.58380  8.41882   1.000 13.08165  ? 7   ALA C N   1 
ATOM   1475 C CA  . ALA C 1 10 ? -4.93609  0.53967   8.25380   1.000 13.94201  ? 7   ALA C CA  1 
ATOM   1476 C C   . ALA C 1 10 ? -4.15992  1.84696   8.26391   1.000 13.81763  ? 7   ALA C C   1 
ATOM   1477 O O   . ALA C 1 10 ? -3.15374  1.98997   8.95484   1.000 14.84940  ? 7   ALA C O   1 
ATOM   1478 C CB  . ALA C 1 10 ? -5.98870  0.55685   9.37544   1.000 14.06497  ? 7   ALA C CB  1 
ATOM   1479 N N   . THR C 1 11 ? -4.64786  2.81123   7.50235   1.000 13.62604  ? 8   THR C N   1 
ATOM   1480 C CA  . THR C 1 11 ? -4.10082  4.15996   7.46960   1.000 14.36738  ? 8   THR C CA  1 
ATOM   1481 C C   . THR C 1 11 ? -5.27423  5.12826   7.33614   1.000 16.99983  ? 8   THR C C   1 
ATOM   1482 O O   . THR C 1 11 ? -6.36664  4.74176   6.91872   1.000 15.65068  ? 8   THR C O   1 
ATOM   1483 C CB  . THR C 1 11 ? -3.04773  4.32879   6.35559   1.000 15.92229  ? 8   THR C CB  1 
ATOM   1484 O OG1 . THR C 1 11 ? -2.34749  5.56082   6.53972   1.000 17.38257  ? 8   THR C OG1 1 
ATOM   1485 C CG2 . THR C 1 11 ? -3.70418  4.34529   5.00130   1.000 15.48666  ? 8   THR C CG2 1 
ATOM   1486 N N   . SER C 1 12 ? -5.05253  6.38690   7.71612   1.000 16.53309  ? 9   SER C N   1 
ATOM   1487 C CA  . SER C 1 12 ? -6.11145  7.38964   7.63448   1.000 18.72559  ? 9   SER C CA  1 
ATOM   1488 C C   . SER C 1 12 ? -5.49392  8.76384   7.42842   1.000 16.91550  ? 9   SER C C   1 
ATOM   1489 O O   . SER C 1 12 ? -4.33393  8.99790   7.77416   1.000 18.60215  ? 9   SER C O   1 
ATOM   1490 C CB  . SER C 1 12 ? -6.98267  7.42062   8.90549   1.000 16.73025  ? 9   SER C CB  1 
ATOM   1491 O OG  . SER C 1 12 ? -6.21046  7.76384   10.04459  1.000 17.45610  ? 9   SER C OG  1 
ATOM   1492 N N   . TRP C 1 13 ? -6.28250  9.67755   6.85673   1.000 18.12044  ? 10  TRP C N   1 
ATOM   1493 C CA  . TRP C 1 13 ? -5.80266  11.03573  6.64567   1.000 21.42648  ? 10  TRP C CA  1 
ATOM   1494 C C   . TRP C 1 13 ? -6.95535  12.03035  6.65150   1.000 22.83524  ? 10  TRP C C   1 
ATOM   1495 O O   . TRP C 1 13 ? -8.11446  11.68704  6.39146   1.000 22.63403  ? 10  TRP C O   1 
ATOM   1496 C CB  . TRP C 1 13 ? -4.99921  11.17887  5.34984   1.000 20.78406  ? 10  TRP C CB  1 
ATOM   1497 C CG  . TRP C 1 13 ? -5.78846  10.97766  4.08804   1.000 18.96459  ? 10  TRP C CG  1 
ATOM   1498 C CD1 . TRP C 1 13 ? -6.43266  11.93997  3.35945   1.000 21.49003  ? 10  TRP C CD1 1 
ATOM   1499 C CD2 . TRP C 1 13 ? -5.99090  9.74114   3.38867   1.000 17.56614  ? 10  TRP C CD2 1 
ATOM   1500 N NE1 . TRP C 1 13 ? -7.02328  11.37737  2.25325   1.000 22.39877  ? 10  TRP C NE1 1 
ATOM   1501 C CE2 . TRP C 1 13 ? -6.76722  10.03062  2.24685   1.000 18.02372  ? 10  TRP C CE2 1 
ATOM   1502 C CE3 . TRP C 1 13 ? -5.58902  8.41747   3.61471   1.000 17.66693  ? 10  TRP C CE3 1 
ATOM   1503 C CZ2 . TRP C 1 13 ? -7.15616  9.04465   1.33240   1.000 19.84633  ? 10  TRP C CZ2 1 
ATOM   1504 C CZ3 . TRP C 1 13 ? -5.98055  7.43584   2.69944   1.000 18.00941  ? 10  TRP C CZ3 1 
ATOM   1505 C CH2 . TRP C 1 13 ? -6.76534  7.75529   1.58453   1.000 17.39082  ? 10  TRP C CH2 1 
ATOM   1506 N N   . GLY C 1 14 ? -6.60209  13.28464  6.93356   1.000 26.39188  ? 11  GLY C N   1 
ATOM   1507 C CA  . GLY C 1 14 ? -7.55241  14.37180  6.99546   1.000 24.99663  ? 11  GLY C CA  1 
ATOM   1508 C C   . GLY C 1 14 ? -8.41941  14.29777  8.24351   1.000 27.29689  ? 11  GLY C C   1 
ATOM   1509 O O   . GLY C 1 14 ? -8.13003  13.58163  9.20803   1.000 26.87347  ? 11  GLY C O   1 
ATOM   1510 N N   . THR C 1 15 ? -9.51622  15.05787  8.20789   1.000 28.31648  ? 12  THR C N   1 
ATOM   1511 C CA  . THR C 1 15 ? -10.44889 15.10709  9.32157   1.000 33.05311  ? 12  THR C CA  1 
ATOM   1512 C C   . THR C 1 15 ? -11.83516 14.56408  9.00350   1.000 27.66298  ? 12  THR C C   1 
ATOM   1513 O O   . THR C 1 15 ? -12.65292 14.45498  9.92420   1.000 31.31170  ? 12  THR C O   1 
ATOM   1514 C CB  . THR C 1 15 ? -10.57152 16.53521  9.88242   1.000 36.08354  ? 12  THR C CB  1 
ATOM   1515 O OG1 . THR C 1 15 ? -11.00465 17.42066  8.84562   1.000 37.67337  ? 12  THR C OG1 1 
ATOM   1516 C CG2 . THR C 1 15 ? -9.23223  17.01726  10.43298  1.000 33.56101  ? 12  THR C CG2 1 
ATOM   1517 N N   . VAL C 1 16 ? -12.13141 14.23487  7.74087   1.000 30.69708  ? 13  VAL C N   1 
ATOM   1518 C CA  . VAL C 1 16 ? -13.40736 13.58046  7.42268   1.000 28.68422  ? 13  VAL C CA  1 
ATOM   1519 C C   . VAL C 1 16 ? -13.63734 12.31758  8.25032   1.000 26.43166  ? 13  VAL C C   1 
ATOM   1520 O O   . VAL C 1 16 ? -14.73037 12.16904  8.82029   1.000 28.37020  ? 13  VAL C O   1 
ATOM   1521 C CB  . VAL C 1 16 ? -13.54380 13.36525  5.91167   1.000 34.16685  ? 13  VAL C CB  1 
ATOM   1522 C CG1 . VAL C 1 16 ? -14.75657 12.49521  5.60606   1.000 32.42422  ? 13  VAL C CG1 1 
ATOM   1523 C CG2 . VAL C 1 16 ? -13.63256 14.69787  5.17494   1.000 30.60492  ? 13  VAL C CG2 1 
ATOM   1524 N N   . PRO C 1 17 ? -12.69007 11.36093  8.34098   1.000 26.40121  ? 14  PRO C N   1 
ATOM   1525 C CA  . PRO C 1 17 ? -11.44173 11.26197  7.58083   1.000 23.34259  ? 14  PRO C CA  1 
ATOM   1526 C C   . PRO C 1 17 ? -11.62836 10.33264  6.40741   1.000 22.23184  ? 14  PRO C C   1 
ATOM   1527 O O   . PRO C 1 17 ? -12.70858 9.79858   6.16376   1.000 21.74519  ? 14  PRO C O   1 
ATOM   1528 C CB  . PRO C 1 17 ? -10.50687 10.59422  8.58550   1.000 22.39460  ? 14  PRO C CB  1 
ATOM   1529 C CG  . PRO C 1 17 ? -11.40687 9.59845   9.23216   1.000 26.72118  ? 14  PRO C CG  1 
ATOM   1530 C CD  . PRO C 1 17 ? -12.73400 10.33504  9.39547   1.000 22.85111  ? 14  PRO C CD  1 
ATOM   1531 N N   . SER C 1 18 ? -10.56123 10.12725  5.65150   1.000 20.83765  ? 15  SER C N   1 
ATOM   1532 C CA  . SER C 1 18 ? -10.47361 8.98536   4.76174   1.000 19.20039  ? 15  SER C CA  1 
ATOM   1533 C C   . SER C 1 18 ? -9.72048  7.89288   5.50745   1.000 17.73732  ? 15  SER C C   1 
ATOM   1534 O O   . SER C 1 18 ? -8.72203  8.16517   6.18270   1.000 19.29338  ? 15  SER C O   1 
ATOM   1535 C CB  . SER C 1 18 ? -9.73617  9.36375   3.48083   1.000 19.97908  ? 15  SER C CB  1 
ATOM   1536 O OG  . SER C 1 18 ? -10.59188 10.09779  2.61253   1.000 22.75619  ? 15  SER C OG  1 
ATOM   1537 N N   . ILE C 1 19 ? -10.20911 6.66229   5.39890   1.000 16.97582  ? 16  ILE C N   1 
ATOM   1538 C CA  . ILE C 1 19 ? -9.57669  5.49055   5.99355   1.000 16.48010  ? 16  ILE C CA  1 
ATOM   1539 C C   . ILE C 1 19 ? -9.39023  4.45738   4.89728   1.000 16.22199  ? 16  ILE C C   1 
ATOM   1540 O O   . ILE C 1 19 ? -10.27074 4.28725   4.04974   1.000 13.72784  ? 16  ILE C O   1 
ATOM   1541 C CB  . ILE C 1 19 ? -10.43857 4.86702   7.11315   1.000 14.91717  ? 16  ILE C CB  1 
ATOM   1542 C CG1 . ILE C 1 19 ? -10.91806 5.92719   8.11958   1.000 18.03316  ? 16  ILE C CG1 1 
ATOM   1543 C CG2 . ILE C 1 19 ? -9.64805  3.77710   7.82472   1.000 15.67700  ? 16  ILE C CG2 1 
ATOM   1544 C CD1 . ILE C 1 19 ? -11.96753 5.42436   9.10377   1.000 16.96816  ? 16  ILE C CD1 1 
ATOM   1545 N N   . ARG C 1 20 ? -8.25293  3.75674   4.91176   1.000 14.52898  ? 17  ARG C N   1 
ATOM   1546 C CA  . ARG C 1 20 ? -8.06899  2.60214   4.03537   1.000 13.46873  ? 17  ARG C CA  1 
ATOM   1547 C C   . ARG C 1 20 ? -7.63826  1.42080   4.88876   1.000 12.48217  ? 17  ARG C C   1 
ATOM   1548 O O   . ARG C 1 20 ? -6.70502  1.54636   5.68829   1.000 12.95018  ? 17  ARG C O   1 
ATOM   1549 C CB  . ARG C 1 20 ? -7.01622  2.89352   2.95768   1.000 14.75173  ? 17  ARG C CB  1 
ATOM   1550 C CG  . ARG C 1 20 ? -7.40121  4.05182   2.04329   1.000 14.15371  ? 17  ARG C CG  1 
ATOM   1551 C CD  . ARG C 1 20 ? -8.55858  3.71774   1.10167   1.000 15.85044  ? 17  ARG C CD  1 
ATOM   1552 N NE  . ARG C 1 20 ? -8.86559  4.81684   0.19561   1.000 16.49473  ? 17  ARG C NE  1 
ATOM   1553 C CZ  . ARG C 1 20 ? -9.69718  5.81607   0.46625   1.000 18.25444  ? 17  ARG C CZ  1 
ATOM   1554 N NH1 . ARG C 1 20 ? -10.29030 5.92380   1.64222   1.000 15.99825  ? 17  ARG C NH1 1 
ATOM   1555 N NH2 . ARG C 1 20 ? -9.93428  6.73192   -0.47057  1.000 16.67579  ? 17  ARG C NH2 1 
ATOM   1556 N N   . VAL C 1 21 ? -8.31474  0.28606   4.73525   1.000 13.49048  ? 18  VAL C N   1 
ATOM   1557 C CA  . VAL C 1 21 ? -8.01782  -0.93644  5.46911   1.000 12.15047  ? 18  VAL C CA  1 
ATOM   1558 C C   . VAL C 1 21 ? -7.67539  -2.02014  4.45066   1.000 11.90753  ? 18  VAL C C   1 
ATOM   1559 O O   . VAL C 1 21 ? -8.49805  -2.34044  3.58093   1.000 13.06549  ? 18  VAL C O   1 
ATOM   1560 C CB  . VAL C 1 21 ? -9.20130  -1.37354  6.34847   1.000 15.26349  ? 18  VAL C CB  1 
ATOM   1561 C CG1 . VAL C 1 21 ? -8.84876  -2.64985  7.09891   1.000 14.74418  ? 18  VAL C CG1 1 
ATOM   1562 C CG2 . VAL C 1 21 ? -9.58310  -0.26140  7.31415   1.000 15.22014  ? 18  VAL C CG2 1 
ATOM   1563 N N   . TYR C 1 22 ? -6.48792  -2.60552  4.58900   1.000 11.23899  ? 19  TYR C N   1 
ATOM   1564 C CA  . TYR C 1 22 ? -6.00878  -3.65994  3.70270   1.000 12.54031  ? 19  TYR C CA  1 
ATOM   1565 C C   . TYR C 1 22 ? -6.08731  -4.98092  4.44458   1.000 14.99260  ? 19  TYR C C   1 
ATOM   1566 O O   . TYR C 1 22 ? -5.68717  -5.06231  5.61164   1.000 14.79452  ? 19  TYR C O   1 
ATOM   1567 C CB  . TYR C 1 22 ? -4.54568  -3.37954  3.27369   1.000 12.31906  ? 19  TYR C CB  1 
ATOM   1568 C CG  . TYR C 1 22 ? -4.46560  -2.05191  2.61209   1.000 11.67335  ? 19  TYR C CG  1 
ATOM   1569 C CD1 . TYR C 1 22 ? -4.35762  -0.89415  3.34960   1.000 13.27278  ? 19  TYR C CD1 1 
ATOM   1570 C CD2 . TYR C 1 22 ? -4.65231  -1.94214  1.23229   1.000 10.67933  ? 19  TYR C CD2 1 
ATOM   1571 C CE1 . TYR C 1 22 ? -4.41201  0.34504   2.75295   1.000 13.07674  ? 19  TYR C CE1 1 
ATOM   1572 C CE2 . TYR C 1 22 ? -4.71414  -0.70459  0.60696   1.000 11.74213  ? 19  TYR C CE2 1 
ATOM   1573 C CZ  . TYR C 1 22 ? -4.57481  0.43106   1.37669   1.000 12.68074  ? 19  TYR C CZ  1 
ATOM   1574 O OH  . TYR C 1 22 ? -4.66553  1.64423   0.72329   1.000 14.38570  ? 19  TYR C OH  1 
ATOM   1575 N N   . THR C 1 23 ? -6.59034  -6.01892  3.77586   1.000 15.40992  ? 20  THR C N   1 
ATOM   1576 C CA  . THR C 1 23 ? -6.74050  -7.32403  4.41325   1.000 15.42695  ? 20  THR C CA  1 
ATOM   1577 C C   . THR C 1 23 ? -6.02063  -8.36636  3.58153   1.000 14.86390  ? 20  THR C C   1 
ATOM   1578 O O   . THR C 1 23 ? -6.32025  -8.52609  2.38971   1.000 16.53197  ? 20  THR C O   1 
ATOM   1579 C CB  . THR C 1 23 ? -8.21419  -7.71596  4.54988   1.000 14.77424  ? 20  THR C CB  1 
ATOM   1580 O OG1 . THR C 1 23 ? -8.87870  -6.73464  5.34250   1.000 16.76421  ? 20  THR C OG1 1 
ATOM   1581 C CG2 . THR C 1 23 ? -8.33557  -9.07828  5.22168   1.000 17.43784  ? 20  THR C CG2 1 
ATOM   1582 N N   . ALA C 1 24 ? -5.08791  -9.07510  4.20571   1.000 16.99900  ? 21  ALA C N   1 
ATOM   1583 C CA  . ALA C 1 24 ? -4.44579  -10.22896 3.59816   1.000 17.91230  ? 21  ALA C CA  1 
ATOM   1584 C C   . ALA C 1 24 ? -5.24782  -11.46474 3.98419   1.000 19.30424  ? 21  ALA C C   1 
ATOM   1585 O O   . ALA C 1 24 ? -5.42587  -11.75886 5.17161   1.000 20.52203  ? 21  ALA C O   1 
ATOM   1586 C CB  . ALA C 1 24 ? -2.99559  -10.34412 4.06928   1.000 17.27208  ? 21  ALA C CB  1 
ATOM   1587 N N   . ASN C 1 25 ? -5.76630  -12.16513 2.98509   1.000 19.57139  ? 22  ASN C N   1 
ATOM   1588 C CA  . ASN C 1 25 ? -6.63821  -13.30597 3.21524   1.000 21.35800  ? 22  ASN C CA  1 
ATOM   1589 C C   . ASN C 1 25 ? -6.30009  -14.33901 2.15922   1.000 22.02507  ? 22  ASN C C   1 
ATOM   1590 O O   . ASN C 1 25 ? -6.42368  -14.06025 0.96669   1.000 21.17058  ? 22  ASN C O   1 
ATOM   1591 C CB  . ASN C 1 25 ? -8.10331  -12.88050 3.10282   1.000 23.07716  ? 22  ASN C CB  1 
ATOM   1592 C CG  . ASN C 1 25 ? -9.06972  -14.03524 3.29070   1.000 28.36815  ? 22  ASN C CG  1 
ATOM   1593 O OD1 . ASN C 1 25 ? -8.70167  -15.09901 3.78675   1.000 32.28376  ? 22  ASN C OD1 1 
ATOM   1594 N ND2 . ASN C 1 25 ? -10.31867 -13.81945 2.91137   1.000 31.83834  ? 22  ASN C ND2 1 
ATOM   1595 N N   . ASN C 1 26 ? -5.83746  -15.50740 2.59437   1.000 24.24987  ? 23  ASN C N   1 
ATOM   1596 C CA  . ASN C 1 26 ? -5.56344  -16.61416 1.67575   1.000 24.05168  ? 23  ASN C CA  1 
ATOM   1597 C C   . ASN C 1 26 ? -4.66352  -16.18751 0.51807   1.000 23.04357  ? 23  ASN C C   1 
ATOM   1598 O O   . ASN C 1 26 ? -4.89286  -16.53906 -0.63958  1.000 26.36946  ? 23  ASN C O   1 
ATOM   1599 C CB  . ASN C 1 26 ? -6.85364  -17.26467 1.17997   1.000 28.58059  ? 23  ASN C CB  1 
ATOM   1600 C CG  . ASN C 1 26 ? -7.54554  -18.05686 2.26093   1.000 36.90954  ? 23  ASN C CG  1 
ATOM   1601 O OD1 . ASN C 1 26 ? -6.92186  -18.88377 2.92823   1.000 35.88808  ? 23  ASN C OD1 1 
ATOM   1602 N ND2 . ASN C 1 26 ? -8.83834  -17.80407 2.45108   1.000 43.14202  ? 23  ASN C ND2 1 
ATOM   1603 N N   . GLY C 1 27 ? -3.63144  -15.40778 0.83896   1.000 24.24992  ? 24  GLY C N   1 
ATOM   1604 C CA  . GLY C 1 27 ? -2.63276  -15.03643 -0.13553  1.000 24.12691  ? 24  GLY C CA  1 
ATOM   1605 C C   . GLY C 1 27 ? -2.95342  -13.83592 -0.99434  1.000 21.66222  ? 24  GLY C C   1 
ATOM   1606 O O   . GLY C 1 27 ? -2.14115  -13.48802 -1.85771  1.000 23.75573  ? 24  GLY C O   1 
ATOM   1607 N N   A LYS C 1 28 ? -4.10254  -13.19300 -0.80350  0.519 20.63151  ? 25  LYS C N   1 
ATOM   1608 N N   B LYS C 1 28 ? -4.08917  -13.17733 -0.77789  0.481 20.65388  ? 25  LYS C N   1 
ATOM   1609 C CA  A LYS C 1 28 ? -4.48654  -12.03006 -1.59102  0.519 19.44614  ? 25  LYS C CA  1 
ATOM   1610 C CA  B LYS C 1 28 ? -4.51067  -12.03819 -1.58240  0.481 19.48320  ? 25  LYS C CA  1 
ATOM   1611 C C   A LYS C 1 28 ? -4.78171  -10.86698 -0.65714  0.519 20.84112  ? 25  LYS C C   1 
ATOM   1612 C C   B LYS C 1 28 ? -4.80208  -10.86300 -0.66049  0.481 20.84427  ? 25  LYS C C   1 
ATOM   1613 O O   A LYS C 1 28 ? -5.35220  -11.05849 0.41895   0.519 20.04518  ? 25  LYS C O   1 
ATOM   1614 O O   B LYS C 1 28 ? -5.38909  -11.04245 0.40935   0.481 20.02471  ? 25  LYS C O   1 
ATOM   1615 C CB  A LYS C 1 28 ? -5.73701  -12.32558 -2.42724  0.519 22.55744  ? 25  LYS C CB  1 
ATOM   1616 C CB  B LYS C 1 28 ? -5.78688  -12.39693 -2.35257  0.481 22.49081  ? 25  LYS C CB  1 
ATOM   1617 C CG  A LYS C 1 28 ? -5.45328  -13.09817 -3.70467  0.519 24.17655  ? 25  LYS C CG  1 
ATOM   1618 C CG  B LYS C 1 28 ? -6.29349  -11.32120 -3.29572  0.481 24.86938  ? 25  LYS C CG  1 
ATOM   1619 C CD  A LYS C 1 28 ? -4.87125  -12.18445 -4.77113  0.519 27.35967  ? 25  LYS C CD  1 
ATOM   1620 C CD  B LYS C 1 28 ? -7.23465  -11.92184 -4.33070  0.481 29.41990  ? 25  LYS C CD  1 
ATOM   1621 C CE  A LYS C 1 28 ? -3.93472  -12.93987 -5.69947  0.519 30.16612  ? 25  LYS C CE  1 
ATOM   1622 C CE  B LYS C 1 28 ? -8.60697  -11.27661 -4.28335  0.481 31.14681  ? 25  LYS C CE  1 
ATOM   1623 N NZ  A LYS C 1 28 ? -3.48048  -12.09584 -6.83369  0.519 33.09937  ? 25  LYS C NZ  1 
ATOM   1624 N NZ  B LYS C 1 28 ? -9.27660  -11.50956 -2.97426  0.481 35.23876  ? 25  LYS C NZ  1 
ATOM   1625 N N   . ILE C 1 29 ? -4.40298  -9.66151  -1.07593  1.000 17.40064  ? 26  ILE C N   1 
ATOM   1626 C CA  . ILE C 1 29 ? -4.67587  -8.43845  -0.31976  1.000 16.30125  ? 26  ILE C CA  1 
ATOM   1627 C C   . ILE C 1 29 ? -5.73377  -7.63409  -1.05272  1.000 16.14278  ? 26  ILE C C   1 
ATOM   1628 O O   . ILE C 1 29 ? -5.59260  -7.34850  -2.24778  1.000 17.89945  ? 26  ILE C O   1 
ATOM   1629 C CB  . ILE C 1 29 ? -3.41433  -7.58650  -0.10411  1.000 16.30243  ? 26  ILE C CB  1 
ATOM   1630 C CG1 . ILE C 1 29 ? -2.34853  -8.34994  0.66449   1.000 16.30846  ? 26  ILE C CG1 1 
ATOM   1631 C CG2 . ILE C 1 29 ? -3.77865  -6.27456  0.60255   1.000 16.59037  ? 26  ILE C CG2 1 
ATOM   1632 C CD1 . ILE C 1 29 ? -0.99836  -7.74952  0.45173   1.000 18.84015  ? 26  ILE C CD1 1 
ATOM   1633 N N   . THR C 1 30 ? -6.79106  -7.27372  -0.34283  1.000 16.33595  ? 27  THR C N   1 
ATOM   1634 C CA  . THR C 1 30 ? -7.82400  -6.39573  -0.85676  1.000 17.11779  ? 27  THR C CA  1 
ATOM   1635 C C   . THR C 1 30 ? -7.96790  -5.18435  0.05667   1.000 15.35062  ? 27  THR C C   1 
ATOM   1636 O O   . THR C 1 30 ? -7.39724  -5.12187  1.15174   1.000 14.98482  ? 27  THR C O   1 
ATOM   1637 C CB  . THR C 1 30 ? -9.16460  -7.12806  -0.99618  1.000 19.49240  ? 27  THR C CB  1 
ATOM   1638 O OG1 . THR C 1 30 ? -9.50833  -7.70734  0.26686   1.000 21.85955  ? 27  THR C OG1 1 
ATOM   1639 C CG2 . THR C 1 30 ? -9.07072  -8.22324  -2.05474  1.000 21.78905  ? 27  THR C CG2 1 
ATOM   1640 N N   . GLU C 1 31 ? -8.74750  -4.21701  -0.40060  1.000 13.96487  ? 28  GLU C N   1 
ATOM   1641 C CA  . GLU C 1 31 ? -8.80528  -2.89801  0.21641   1.000 13.89518  ? 28  GLU C CA  1 
ATOM   1642 C C   . GLU C 1 31 ? -10.24897 -2.47012  0.40248   1.000 13.14675  ? 28  GLU C C   1 
ATOM   1643 O O   . GLU C 1 31 ? -11.05146 -2.57752  -0.52664  1.000 13.61065  ? 28  GLU C O   1 
ATOM   1644 C CB  . GLU C 1 31 ? -8.13010  -1.89588  -0.71878  1.000 14.50904  ? 28  GLU C CB  1 
ATOM   1645 C CG  . GLU C 1 31 ? -8.05155  -0.46559  -0.21601  1.000 13.50633  ? 28  GLU C CG  1 
ATOM   1646 C CD  . GLU C 1 31 ? -7.54636  0.49517   -1.28217  1.000 14.52913  ? 28  GLU C CD  1 
ATOM   1647 O OE1 . GLU C 1 31 ? -7.97927  0.35724   -2.44697  1.000 16.52453  ? 28  GLU C OE1 1 
ATOM   1648 O OE2 . GLU C 1 31 ? -6.70730  1.37496   -0.93943  1.000 17.11362  ? 28  GLU C OE2 1 
ATOM   1649 N N   . ARG C 1 32 ? -10.56283 -1.95417  1.58976   1.000 14.11872  ? 29  ARG C N   1 
ATOM   1650 C CA  . ARG C 1 32 ? -11.83428 -1.31300  1.88620   1.000 15.11071  ? 29  ARG C CA  1 
ATOM   1651 C C   . ARG C 1 32 ? -11.59350 0.13454   2.27991   1.000 13.89413  ? 29  ARG C C   1 
ATOM   1652 O O   . ARG C 1 32 ? -10.58497 0.44533   2.92756   1.000 13.94052  ? 29  ARG C O   1 
ATOM   1653 C CB  . ARG C 1 32 ? -12.58563 -2.05401  2.98756   1.000 15.55499  ? 29  ARG C CB  1 
ATOM   1654 C CG  . ARG C 1 32 ? -13.01536 -3.46138  2.56442   1.000 15.56248  ? 29  ARG C CG  1 
ATOM   1655 C CD  . ARG C 1 32 ? -14.24583 -3.45755  1.65892   1.000 16.13512  ? 29  ARG C CD  1 
ATOM   1656 N NE  . ARG C 1 32 ? -15.46809 -3.28322  2.43451   1.000 15.49962  ? 29  ARG C NE  1 
ATOM   1657 C CZ  . ARG C 1 32 ? -16.67392 -3.10304  1.91512   1.000 16.66930  ? 29  ARG C CZ  1 
ATOM   1658 N NH1 . ARG C 1 32 ? -16.86036 -3.03128  0.60117   1.000 16.75386  ? 29  ARG C NH1 1 
ATOM   1659 N NH2 . ARG C 1 32 ? -17.72097 -2.98281  2.73080   1.000 16.99432  ? 29  ARG C NH2 1 
ATOM   1660 N N   . CYS C 1 33 ? -12.50640 1.01194   1.86959   1.000 14.69292  ? 30  CYS C N   1 
ATOM   1661 C CA  . CYS C 1 33 ? -12.30824 2.44890   1.90930   1.000 14.53378  ? 30  CYS C CA  1 
ATOM   1662 C C   . CYS C 1 33 ? -13.48753 3.12007   2.58424   1.000 13.57710  ? 30  CYS C C   1 
ATOM   1663 O O   . CYS C 1 33 ? -14.62950 2.71985   2.39381   1.000 14.43182  ? 30  CYS C O   1 
ATOM   1664 C CB  . CYS C 1 33 ? -12.26947 2.99501   0.48717   1.000 15.53656  ? 30  CYS C CB  1 
ATOM   1665 S SG  . CYS C 1 33 ? -11.10269 2.14174   -0.61745  1.000 15.88198  ? 30  CYS C SG  1 
ATOM   1666 N N   . TRP C 1 34 ? -13.19304 4.20004   3.29764   1.000 14.98094  ? 31  TRP C N   1 
ATOM   1667 C CA  . TRP C 1 34 ? -14.19329 5.04758   3.93273   1.000 14.98995  ? 31  TRP C CA  1 
ATOM   1668 C C   . TRP C 1 34 ? -13.78815 6.49047   3.70909   1.000 14.96119  ? 31  TRP C C   1 
ATOM   1669 O O   . TRP C 1 34 ? -12.63555 6.85050   3.95688   1.000 18.83119  ? 31  TRP C O   1 
ATOM   1670 C CB  . TRP C 1 34 ? -14.21440 4.78684   5.43885   1.000 17.67810  ? 31  TRP C CB  1 
ATOM   1671 C CG  . TRP C 1 34 ? -15.06877 5.75205   6.22325   1.000 21.60915  ? 31  TRP C CG  1 
ATOM   1672 C CD1 . TRP C 1 34 ? -14.68702 6.95785   6.75764   1.000 23.24526  ? 31  TRP C CD1 1 
ATOM   1673 C CD2 . TRP C 1 34 ? -16.43937 5.57535   6.57487   1.000 22.52493  ? 31  TRP C CD2 1 
ATOM   1674 N NE1 . TRP C 1 34 ? -15.75111 7.53998   7.41571   1.000 21.59624  ? 31  TRP C NE1 1 
ATOM   1675 C CE2 . TRP C 1 34 ? -16.83414 6.70664   7.32229   1.000 20.70989  ? 31  TRP C CE2 1 
ATOM   1676 C CE3 . TRP C 1 34 ? -17.37033 4.56334   6.34434   1.000 19.22725  ? 31  TRP C CE3 1 
ATOM   1677 C CZ2 . TRP C 1 34 ? -18.12973 6.85801   7.82424   1.000 25.04254  ? 31  TRP C CZ2 1 
ATOM   1678 C CZ3 . TRP C 1 34 ? -18.64172 4.70840   6.84462   1.000 17.99263  ? 31  TRP C CZ3 1 
ATOM   1679 C CH2 . TRP C 1 34 ? -19.01601 5.84584   7.58235   1.000 20.66786  ? 31  TRP C CH2 1 
ATOM   1680 N N   . ASP C 1 35 ? -14.73039 7.32547   3.26297   1.000 18.34586  ? 32  ASP C N   1 
ATOM   1681 C CA  . ASP C 1 35 ? -14.48973 8.76226   3.20158   1.000 20.20542  ? 32  ASP C CA  1 
ATOM   1682 C C   . ASP C 1 35 ? -15.69326 9.53754   3.72492   1.000 23.72295  ? 32  ASP C C   1 
ATOM   1683 O O   . ASP C 1 35 ? -16.03138 10.60177  3.19216   1.000 29.04828  ? 32  ASP C O   1 
ATOM   1684 C CB  . ASP C 1 35 ? -14.13626 9.24615   1.79478   1.000 22.20727  ? 32  ASP C CB  1 
ATOM   1685 C CG  . ASP C 1 35 ? -13.20904 8.29881   1.05502   1.000 22.33010  ? 32  ASP C CG  1 
ATOM   1686 O OD1 . ASP C 1 35 ? -11.97172 8.39140   1.22192   1.000 21.53392  ? 32  ASP C OD1 1 
ATOM   1687 O OD2 . ASP C 1 35 ? -13.73043 7.46473   0.28526   1.000 24.69360  ? 32  ASP C OD2 1 
ATOM   1688 N N   . GLY C 1 36 ? -16.36245 9.00282   4.74204   1.000 22.60561  ? 33  GLY C N   1 
ATOM   1689 C CA  . GLY C 1 36 ? -17.42865 9.69837   5.42637   1.000 26.83124  ? 33  GLY C CA  1 
ATOM   1690 C C   . GLY C 1 36 ? -18.83340 9.26275   5.06283   1.000 24.98935  ? 33  GLY C C   1 
ATOM   1691 O O   . GLY C 1 36 ? -19.78340 9.71301   5.71914   1.000 27.93478  ? 33  GLY C O   1 
ATOM   1692 N N   . LYS C 1 37 ? -19.00315 8.39665   4.06013   1.000 21.86697  ? 34  LYS C N   1 
ATOM   1693 C CA  . LYS C 1 37 ? -20.33068 8.09103   3.51683   1.000 24.28272  ? 34  LYS C CA  1 
ATOM   1694 C C   . LYS C 1 37 ? -20.47599 6.60502   3.18610   1.000 23.81663  ? 34  LYS C C   1 
ATOM   1695 O O   . LYS C 1 37 ? -21.08427 6.23814   2.17384   1.000 27.40876  ? 34  LYS C O   1 
ATOM   1696 C CB  . LYS C 1 37 ? -20.62626 8.92155   2.26691   1.000 27.33810  ? 34  LYS C CB  1 
ATOM   1697 C CG  . LYS C 1 37 ? -20.06533 10.33602  2.24445   1.000 39.72567  ? 34  LYS C CG  1 
ATOM   1698 C CD  . LYS C 1 37 ? -20.87138 11.30803  3.08733   1.000 39.52662  ? 34  LYS C CD  1 
ATOM   1699 C CE  . LYS C 1 37 ? -20.20921 12.67897  3.08217   1.000 37.94361  ? 34  LYS C CE  1 
ATOM   1700 N NZ  . LYS C 1 37 ? -19.76120 13.05757  1.70683   1.000 46.50395  ? 34  LYS C NZ  1 
ATOM   1701 N N   . GLY C 1 38 ? -19.91716 5.73598   4.01219   1.000 20.34346  ? 35  GLY C N   1 
ATOM   1702 C CA  . GLY C 1 38 ? -20.07824 4.30844   3.81307   1.000 19.26336  ? 35  GLY C CA  1 
ATOM   1703 C C   . GLY C 1 38 ? -18.80238 3.64178   3.31197   1.000 14.93985  ? 35  GLY C C   1 
ATOM   1704 O O   . GLY C 1 38 ? -17.99529 4.24057   2.58256   1.000 21.35260  ? 35  GLY C O   1 
ATOM   1705 N N   . TRP C 1 39 ? -18.63387 2.37122   3.67885   1.000 15.11512  ? 36  TRP C N   1 
ATOM   1706 C CA  . TRP C 1 39 ? -17.46433 1.60364   3.25948   1.000 14.82667  ? 36  TRP C CA  1 
ATOM   1707 C C   . TRP C 1 39 ? -17.67873 1.01783   1.87365   1.000 15.72151  ? 36  TRP C C   1 
ATOM   1708 O O   . TRP C 1 39 ? -18.78830 0.62265   1.51090   1.000 16.91592  ? 36  TRP C O   1 
ATOM   1709 C CB  . TRP C 1 39 ? -17.20035 0.45854   4.23452   1.000 14.62864  ? 36  TRP C CB  1 
ATOM   1710 C CG  . TRP C 1 39 ? -16.65235 0.93380   5.53917   1.000 13.51098  ? 36  TRP C CG  1 
ATOM   1711 C CD1 . TRP C 1 39 ? -17.35640 1.25712   6.65201   1.000 14.70503  ? 36  TRP C CD1 1 
ATOM   1712 C CD2 . TRP C 1 39 ? -15.27419 1.14206   5.85682   1.000 14.24242  ? 36  TRP C CD2 1 
ATOM   1713 N NE1 . TRP C 1 39 ? -16.50111 1.65979   7.65698   1.000 14.99606  ? 36  TRP C NE1 1 
ATOM   1714 C CE2 . TRP C 1 39 ? -15.21445 1.60341   7.18564   1.000 14.70812  ? 36  TRP C CE2 1 
ATOM   1715 C CE3 . TRP C 1 39 ? -14.08212 0.98633   5.14206   1.000 13.84758  ? 36  TRP C CE3 1 
ATOM   1716 C CZ2 . TRP C 1 39 ? -14.00021 1.89867   7.83110   1.000 13.12076  ? 36  TRP C CZ2 1 
ATOM   1717 C CZ3 . TRP C 1 39 ? -12.88667 1.28514   5.76573   1.000 14.78003  ? 36  TRP C CZ3 1 
ATOM   1718 C CH2 . TRP C 1 39 ? -12.84403 1.72887   7.10520   1.000 14.33603  ? 36  TRP C CH2 1 
ATOM   1719 N N   . TYR C 1 40 ? -16.59846 0.94713   1.10185   1.000 14.17234  ? 37  TYR C N   1 
ATOM   1720 C CA  . TYR C 1 40 ? -16.66913 0.43274   -0.26095  1.000 13.83519  ? 37  TYR C CA  1 
ATOM   1721 C C   . TYR C 1 40 ? -15.33612 -0.19835  -0.62023  1.000 14.41672  ? 37  TYR C C   1 
ATOM   1722 O O   . TYR C 1 40 ? -14.31965 0.04032   0.03676   1.000 14.70437  ? 37  TYR C O   1 
ATOM   1723 C CB  . TYR C 1 40 ? -17.06520 1.52731   -1.26517  1.000 15.01237  ? 37  TYR C CB  1 
ATOM   1724 C CG  . TYR C 1 40 ? -16.08019 2.68471   -1.33018  1.000 16.80247  ? 37  TYR C CG  1 
ATOM   1725 C CD1 . TYR C 1 40 ? -16.11242 3.71688   -0.38532  1.000 17.05137  ? 37  TYR C CD1 1 
ATOM   1726 C CD2 . TYR C 1 40 ? -15.10752 2.74144   -2.33560  1.000 18.29691  ? 37  TYR C CD2 1 
ATOM   1727 C CE1 . TYR C 1 40 ? -15.20345 4.77682   -0.44823  1.000 20.97862  ? 37  TYR C CE1 1 
ATOM   1728 C CE2 . TYR C 1 40 ? -14.20298 3.78825   -2.40576  1.000 16.30080  ? 37  TYR C CE2 1 
ATOM   1729 C CZ  . TYR C 1 40 ? -14.26048 4.80476   -1.47135  1.000 18.45334  ? 37  TYR C CZ  1 
ATOM   1730 O OH  . TYR C 1 40 ? -13.35653 5.84408   -1.54434  1.000 21.48286  ? 37  TYR C OH  1 
ATOM   1731 N N   . THR C 1 41 ? -15.34662 -1.01055  -1.67412  1.000 16.95840  ? 38  THR C N   1 
ATOM   1732 C CA  . THR C 1 41 ? -14.16239 -1.74926  -2.08507  1.000 16.02178  ? 38  THR C CA  1 
ATOM   1733 C C   . THR C 1 41 ? -13.27203 -0.88072  -2.95846  1.000 16.86940  ? 38  THR C C   1 
ATOM   1734 O O   . THR C 1 41 ? -13.74806 -0.22594  -3.88626  1.000 17.75379  ? 38  THR C O   1 
ATOM   1735 C CB  . THR C 1 41 ? -14.57245 -3.04111  -2.78747  1.000 17.02382  ? 38  THR C CB  1 
ATOM   1736 O OG1 . THR C 1 41 ? -15.32086 -3.84454  -1.86208  1.000 19.01859  ? 38  THR C OG1 1 
ATOM   1737 C CG2 . THR C 1 41 ? -13.36071 -3.81394  -3.27807  1.000 17.69690  ? 38  THR C CG2 1 
ATOM   1738 N N   . GLY C 1 42 ? -11.98294 -0.82540  -2.61712  1.000 14.64593  ? 39  GLY C N   1 
ATOM   1739 C CA  . GLY C 1 42 ? -11.03357 -0.02836  -3.36743  1.000 14.60989  ? 39  GLY C CA  1 
ATOM   1740 C C   . GLY C 1 42 ? -10.37587 -0.78276  -4.51296  1.000 13.14092  ? 39  GLY C C   1 
ATOM   1741 O O   . GLY C 1 42 ? -10.58213 -1.97805  -4.71803  1.000 14.54867  ? 39  GLY C O   1 
ATOM   1742 N N   . ALA C 1 43 ? -9.55908  -0.05003  -5.27056  1.000 16.81854  ? 40  ALA C N   1 
ATOM   1743 C CA  . ALA C 1 43 ? -8.93039  -0.60323  -6.45931  1.000 16.75006  ? 40  ALA C CA  1 
ATOM   1744 C C   . ALA C 1 43 ? -7.76542  -1.52491  -6.13016  1.000 18.32322  ? 40  ALA C C   1 
ATOM   1745 O O   . ALA C 1 43 ? -7.33932  -2.29173  -6.99290  1.000 17.50274  ? 40  ALA C O   1 
ATOM   1746 C CB  . ALA C 1 43 ? -8.45642  0.53416   -7.36434  1.000 18.11964  ? 40  ALA C CB  1 
ATOM   1747 N N   . PHE C 1 44 ? -7.23674  -1.48453  -4.91435  1.000 16.65433  ? 41  PHE C N   1 
ATOM   1748 C CA  . PHE C 1 44 ? -6.03029  -2.25174  -4.63630  1.000 15.25632  ? 41  PHE C CA  1 
ATOM   1749 C C   . PHE C 1 44 ? -6.35952  -3.73478  -4.52250  1.000 15.37604  ? 41  PHE C C   1 
ATOM   1750 O O   . PHE C 1 44 ? -7.18646  -4.13539  -3.69940  1.000 16.50679  ? 41  PHE C O   1 
ATOM   1751 C CB  . PHE C 1 44 ? -5.35596  -1.76225  -3.35409  1.000 16.72439  ? 41  PHE C CB  1 
ATOM   1752 C CG  . PHE C 1 44 ? -4.06811  -2.46856  -3.06562  1.000 17.40171  ? 41  PHE C CG  1 
ATOM   1753 C CD1 . PHE C 1 44 ? -2.87998  -1.98622  -3.58599  1.000 22.93799  ? 41  PHE C CD1 1 
ATOM   1754 C CD2 . PHE C 1 44 ? -4.04117  -3.64410  -2.32760  1.000 15.98082  ? 41  PHE C CD2 1 
ATOM   1755 C CE1 . PHE C 1 44 ? -1.68754  -2.64325  -3.37065  1.000 21.35280  ? 41  PHE C CE1 1 
ATOM   1756 C CE2 . PHE C 1 44 ? -2.83827  -4.30142  -2.09805  1.000 15.60883  ? 41  PHE C CE2 1 
ATOM   1757 C CZ  . PHE C 1 44 ? -1.65789  -3.79252  -2.61916  1.000 17.17358  ? 41  PHE C CZ  1 
ATOM   1758 N N   . ASN C 1 45 ? -5.68299  -4.56002  -5.31444  1.000 18.10220  ? 42  ASN C N   1 
ATOM   1759 C CA  . ASN C 1 45 ? -5.89316  -6.00398  -5.25547  1.000 19.48986  ? 42  ASN C CA  1 
ATOM   1760 C C   . ASN C 1 45 ? -4.60455  -6.64758  -5.75874  1.000 17.08857  ? 42  ASN C C   1 
ATOM   1761 O O   . ASN C 1 45 ? -4.37249  -6.68566  -6.96983  1.000 21.87513  ? 42  ASN C O   1 
ATOM   1762 C CB  . ASN C 1 45 ? -7.09598  -6.38582  -6.10994  1.000 23.45406  ? 42  ASN C CB  1 
ATOM   1763 C CG  . ASN C 1 45 ? -7.50080  -7.83320  -5.94666  1.000 26.31207  ? 42  ASN C CG  1 
ATOM   1764 O OD1 . ASN C 1 45 ? -6.70929  -8.74265  -6.18078  1.000 26.72166  ? 42  ASN C OD1 1 
ATOM   1765 N ND2 . ASN C 1 45 ? -8.75171  -8.05409  -5.55267  1.000 27.29492  ? 42  ASN C ND2 1 
ATOM   1766 N N   . GLU C 1 46 ? -3.77411  -7.13259  -4.84546  1.000 17.44887  ? 43  GLU C N   1 
ATOM   1767 C CA  . GLU C 1 46 ? -2.48310  -7.69361  -5.21050  1.000 19.73028  ? 43  GLU C CA  1 
ATOM   1768 C C   . GLU C 1 46 ? -2.16477  -8.87297  -4.30879  1.000 20.39392  ? 43  GLU C C   1 
ATOM   1769 O O   . GLU C 1 46 ? -2.71975  -8.99131  -3.21334  1.000 19.10530  ? 43  GLU C O   1 
ATOM   1770 C CB  . GLU C 1 46 ? -1.35144  -6.65662  -5.11338  1.000 20.37157  ? 43  GLU C CB  1 
ATOM   1771 C CG  . GLU C 1 46 ? -1.51367  -5.44834  -6.01582  1.000 20.06268  ? 43  GLU C CG  1 
ATOM   1772 C CD  . GLU C 1 46 ? -1.52351  -5.80283  -7.50205  1.000 25.59799  ? 43  GLU C CD  1 
ATOM   1773 O OE1 . GLU C 1 46 ? -1.09992  -6.92036  -7.86544  1.000 25.49184  ? 43  GLU C OE1 1 
ATOM   1774 O OE2 . GLU C 1 46 ? -1.96685  -4.96463  -8.31487  1.000 26.55813  ? 43  GLU C OE2 1 
ATOM   1775 N N   . PRO C 1 47 ? -1.26381  -9.75476  -4.73481  1.000 18.82796  ? 44  PRO C N   1 
ATOM   1776 C CA  . PRO C 1 47 ? -0.90782  -10.90475 -3.89756  1.000 17.29348  ? 44  PRO C CA  1 
ATOM   1777 C C   . PRO C 1 47 ? -0.17399  -10.49472 -2.63023  1.000 18.28149  ? 44  PRO C C   1 
ATOM   1778 O O   . PRO C 1 47 ? 0.57850   -9.51677  -2.59881  1.000 20.38919  ? 44  PRO C O   1 
ATOM   1779 C CB  . PRO C 1 47 ? 0.01646   -11.73147 -4.80334  1.000 22.16611  ? 44  PRO C CB  1 
ATOM   1780 C CG  . PRO C 1 47 ? -0.32640  -11.30611 -6.18802  1.000 29.41796  ? 44  PRO C CG  1 
ATOM   1781 C CD  . PRO C 1 47 ? -0.70507  -9.86188  -6.09464  1.000 21.76797  ? 44  PRO C CD  1 
ATOM   1782 N N   . GLY C 1 48 ? -0.39240  -11.28245 -1.57951  1.000 19.73621  ? 45  GLY C N   1 
ATOM   1783 C CA  . GLY C 1 48 ? 0.33574   -11.13632 -0.33196  1.000 18.57566  ? 45  GLY C CA  1 
ATOM   1784 C C   . GLY C 1 48 ? -0.26206  -11.92562 0.81274   1.000 21.31349  ? 45  GLY C C   1 
ATOM   1785 O O   . GLY C 1 48 ? -1.48778  -12.02151 0.94446   1.000 20.04692  ? 45  GLY C O   1 
ATOM   1786 N N   . ASP C 1 49 ? 0.60483   -12.51205 1.63989   1.000 20.43823  ? 46  ASP C N   1 
ATOM   1787 C CA  . ASP C 1 49 ? 0.19748   -13.11801 2.90105   1.000 22.97543  ? 46  ASP C CA  1 
ATOM   1788 C C   . ASP C 1 49 ? 0.25913   -12.14105 4.05937   1.000 20.37394  ? 46  ASP C C   1 
ATOM   1789 O O   . ASP C 1 49 ? -0.37002  -12.38116 5.09744   1.000 23.23380  ? 46  ASP C O   1 
ATOM   1790 C CB  . ASP C 1 49 ? 1.12969   -14.27721 3.26232   1.000 27.01994  ? 46  ASP C CB  1 
ATOM   1791 C CG  . ASP C 1 49 ? 0.92738   -15.48174 2.38055   1.000 40.13433  ? 46  ASP C CG  1 
ATOM   1792 O OD1 . ASP C 1 49 ? -0.24243  -15.79314 2.07212   1.000 41.17112  ? 46  ASP C OD1 1 
ATOM   1793 O OD2 . ASP C 1 49 ? 1.93493   -16.11443 2.00087   1.000 38.29139  ? 46  ASP C OD2 1 
ATOM   1794 N N   . ASN C 1 50 ? 1.02583   -11.06506 3.91598   1.000 19.25149  ? 47  ASN C N   1 
ATOM   1795 C CA  . ASN C 1 50 ? 1.18955   -10.07755 4.96006   1.000 16.34658  ? 47  ASN C CA  1 
ATOM   1796 C C   . ASN C 1 50 ? 1.13957   -8.70044  4.32482   1.000 15.21880  ? 47  ASN C C   1 
ATOM   1797 O O   . ASN C 1 50 ? 1.61238   -8.50523  3.20008   1.000 16.35818  ? 47  ASN C O   1 
ATOM   1798 C CB  . ASN C 1 50 ? 2.53955   -10.26041 5.65570   1.000 18.03107  ? 47  ASN C CB  1 
ATOM   1799 C CG  . ASN C 1 50 ? 2.78704   -9.21070  6.70302   1.000 20.78201  ? 47  ASN C CG  1 
ATOM   1800 O OD1 . ASN C 1 50 ? 3.54138   -8.25882  6.48192   1.000 19.15281  ? 47  ASN C OD1 1 
ATOM   1801 N ND2 . ASN C 1 50 ? 2.15268   -9.36783  7.85705   1.000 22.75899  ? 47  ASN C ND2 1 
ATOM   1802 N N   . VAL C 1 51 ? 0.58828   -7.73725  5.05854   1.000 17.16033  ? 48  VAL C N   1 
ATOM   1803 C CA  . VAL C 1 51 ? 0.46058   -6.37760  4.54965   1.000 14.76005  ? 48  VAL C CA  1 
ATOM   1804 C C   . VAL C 1 51 ? 0.77110   -5.37051  5.64995   1.000 16.08381  ? 48  VAL C C   1 
ATOM   1805 O O   . VAL C 1 51 ? 0.36097   -5.53981  6.80384   1.000 17.24643  ? 48  VAL C O   1 
ATOM   1806 C CB  . VAL C 1 51 ? -0.92410  -6.13189  3.90788   1.000 12.91516  ? 48  VAL C CB  1 
ATOM   1807 C CG1 . VAL C 1 51 ? -2.04811  -6.35931  4.91606   1.000 16.30257  ? 48  VAL C CG1 1 
ATOM   1808 C CG2 . VAL C 1 51 ? -1.01091  -4.73297  3.30701   1.000 15.75762  ? 48  VAL C CG2 1 
ATOM   1809 N N   . SER C 1 52 ? 1.49422   -4.31168  5.29018   1.000 15.23163  ? 49  SER C N   1 
ATOM   1810 C CA  . SER C 1 52 ? 1.57823   -3.12291  6.12894   1.000 13.21737  ? 49  SER C CA  1 
ATOM   1811 C C   . SER C 1 52 ? 1.38971   -1.90845  5.23537   1.000 13.05929  ? 49  SER C C   1 
ATOM   1812 O O   . SER C 1 52 ? 1.45582   -2.00685  4.00514   1.000 14.25739  ? 49  SER C O   1 
ATOM   1813 C CB  . SER C 1 52 ? 2.90786   -3.02676  6.88699   1.000 13.46486  ? 49  SER C CB  1 
ATOM   1814 O OG  . SER C 1 52 ? 3.97928   -2.77814  5.99090   1.000 14.61493  ? 49  SER C OG  1 
ATOM   1815 N N   . VAL C 1 53 ? 1.11126   -0.75846  5.85274   1.000 13.87698  ? 50  VAL C N   1 
ATOM   1816 C CA  . VAL C 1 53 ? 0.79052   0.43246   5.07104   1.000 13.99104  ? 50  VAL C CA  1 
ATOM   1817 C C   . VAL C 1 53 ? 1.27356   1.66266   5.81599   1.000 13.12747  ? 50  VAL C C   1 
ATOM   1818 O O   . VAL C 1 53 ? 1.29883   1.69754   7.04932   1.000 15.44966  ? 50  VAL C O   1 
ATOM   1819 C CB  . VAL C 1 53 ? -0.71816  0.52890   4.71321   1.000 13.77477  ? 50  VAL C CB  1 
ATOM   1820 C CG1 . VAL C 1 53 ? -1.59696  0.71291   5.95612   1.000 14.21004  ? 50  VAL C CG1 1 
ATOM   1821 C CG2 . VAL C 1 53 ? -0.98498  1.65943   3.72506   1.000 14.66199  ? 50  VAL C CG2 1 
ATOM   1822 N N   . THR C 1 54 ? 1.65731   2.68222   5.04769   1.000 14.79462  ? 51  THR C N   1 
ATOM   1823 C CA  . THR C 1 54 ? 1.85758   4.02149   5.57611   1.000 14.29005  ? 51  THR C CA  1 
ATOM   1824 C C   . THR C 1 54 ? 1.36734   5.01169   4.52916   1.000 15.11116  ? 51  THR C C   1 
ATOM   1825 O O   . THR C 1 54 ? 1.25195   4.68378   3.34666   1.000 17.65741  ? 51  THR C O   1 
ATOM   1826 C CB  . THR C 1 54 ? 3.32286   4.26645   5.99676   1.000 14.92100  ? 51  THR C CB  1 
ATOM   1827 O OG1 . THR C 1 54 ? 3.39642   5.49348   6.73391   1.000 16.72203  ? 51  THR C OG1 1 
ATOM   1828 C CG2 . THR C 1 54 ? 4.28263   4.30251   4.79287   1.000 16.21286  ? 51  THR C CG2 1 
ATOM   1829 N N   . SER C 1 55 ? 1.03902   6.22108   4.97065   1.000 15.79275  ? 52  SER C N   1 
ATOM   1830 C CA  . SER C 1 55 ? 0.60981   7.24535   4.02958   1.000 16.47117  ? 52  SER C CA  1 
ATOM   1831 C C   . SER C 1 55 ? 1.02207   8.60690   4.55846   1.000 15.97417  ? 52  SER C C   1 
ATOM   1832 O O   . SER C 1 55 ? 1.24945   8.77988   5.75363   1.000 17.33219  ? 52  SER C O   1 
ATOM   1833 C CB  . SER C 1 55 ? -0.90469  7.18496   3.75349   1.000 14.83244  ? 52  SER C CB  1 
ATOM   1834 O OG  . SER C 1 55 ? -1.65697  7.55179   4.89830   1.000 18.24747  ? 52  SER C OG  1 
ATOM   1835 N N   . TRP C 1 56 ? 1.11911   9.57315   3.64577   1.000 16.85450  ? 53  TRP C N   1 
ATOM   1836 C CA  . TRP C 1 56 ? 1.47152   10.93475  4.02012   1.000 17.49600  ? 53  TRP C CA  1 
ATOM   1837 C C   . TRP C 1 56 ? 0.83865   11.90171  3.03471   1.000 18.42177  ? 53  TRP C C   1 
ATOM   1838 O O   . TRP C 1 56 ? 0.58228   11.55851  1.88042   1.000 18.15142  ? 53  TRP C O   1 
ATOM   1839 C CB  . TRP C 1 56 ? 2.99464   11.16374  4.06972   1.000 18.85807  ? 53  TRP C CB  1 
ATOM   1840 C CG  . TRP C 1 56 ? 3.64159   11.05793  2.71711   1.000 18.84514  ? 53  TRP C CG  1 
ATOM   1841 C CD1 . TRP C 1 56 ? 3.89194   12.07953  1.84575   1.000 19.85559  ? 53  TRP C CD1 1 
ATOM   1842 C CD2 . TRP C 1 56 ? 4.09074   9.85889   2.06955   1.000 18.51162  ? 53  TRP C CD2 1 
ATOM   1843 N NE1 . TRP C 1 56 ? 4.45727   11.59141  0.69200   1.000 19.60229  ? 53  TRP C NE1 1 
ATOM   1844 C CE2 . TRP C 1 56 ? 4.60725   10.23346  0.81133   1.000 18.81415  ? 53  TRP C CE2 1 
ATOM   1845 C CE3 . TRP C 1 56 ? 4.12940   8.50708   2.44168   1.000 14.59246  ? 53  TRP C CE3 1 
ATOM   1846 C CZ2 . TRP C 1 56 ? 5.12092   9.30567   -0.08790  1.000 19.45742  ? 53  TRP C CZ2 1 
ATOM   1847 C CZ3 . TRP C 1 56 ? 4.64582   7.59022   1.54070   1.000 17.84787  ? 53  TRP C CZ3 1 
ATOM   1848 C CH2 . TRP C 1 56 ? 5.15080   7.99558   0.30302   1.000 18.88740  ? 53  TRP C CH2 1 
ATOM   1849 N N   . LEU C 1 57 ? 0.60353   13.11956  3.50627   1.000 25.19152  ? 54  LEU C N   1 
ATOM   1850 C CA  . LEU C 1 57 ? 0.06598   14.18558  2.67644   1.000 24.42461  ? 54  LEU C CA  1 
ATOM   1851 C C   . LEU C 1 57 ? 1.18477   15.08998  2.17992   1.000 22.44477  ? 54  LEU C C   1 
ATOM   1852 O O   . LEU C 1 57 ? 2.13423   15.38728  2.91157   1.000 25.77321  ? 54  LEU C O   1 
ATOM   1853 C CB  . LEU C 1 57 ? -0.92707  15.02565  3.47662   1.000 23.11561  ? 54  LEU C CB  1 
ATOM   1854 C CG  . LEU C 1 57 ? -2.27265  14.39120  3.80570   1.000 22.92388  ? 54  LEU C CG  1 
ATOM   1855 C CD1 . LEU C 1 57 ? -2.95788  15.23478  4.87028   1.000 27.88315  ? 54  LEU C CD1 1 
ATOM   1856 C CD2 . LEU C 1 57 ? -3.12406  14.28753  2.55453   1.000 28.30395  ? 54  LEU C CD2 1 
ATOM   1857 N N   . VAL C 1 58 ? 1.07145   15.51261  0.92853   1.000 23.39454  ? 55  VAL C N   1 
ATOM   1858 C CA  . VAL C 1 58 ? 1.85414   16.62123  0.39244   1.000 24.34298  ? 55  VAL C CA  1 
ATOM   1859 C C   . VAL C 1 58 ? 0.81724   17.67031  0.01352   1.000 25.18242  ? 55  VAL C C   1 
ATOM   1860 O O   . VAL C 1 58 ? 0.16774   17.56598  -1.03370  1.000 30.44328  ? 55  VAL C O   1 
ATOM   1861 C CB  . VAL C 1 58 ? 2.70675   16.21394  -0.81460  1.000 23.01403  ? 55  VAL C CB  1 
ATOM   1862 C CG1 . VAL C 1 58 ? 3.49102   17.40717  -1.31549  1.000 27.31917  ? 55  VAL C CG1 1 
ATOM   1863 C CG2 . VAL C 1 58 ? 3.65351   15.07800  -0.44410  1.000 23.87660  ? 55  VAL C CG2 1 
ATOM   1864 N N   . GLY C 1 59 ? 0.63246   18.66756  0.87084   1.000 30.30656  ? 56  GLY C N   1 
ATOM   1865 C CA  . GLY C 1 59 ? -0.50501  19.54585  0.69857   1.000 29.31026  ? 56  GLY C CA  1 
ATOM   1866 C C   . GLY C 1 59 ? -1.79277  18.77313  0.89170   1.000 28.80548  ? 56  GLY C C   1 
ATOM   1867 O O   . GLY C 1 59 ? -2.00336  18.17072  1.94901   1.000 32.64748  ? 56  GLY C O   1 
ATOM   1868 N N   . SER C 1 60 ? -2.65179  18.76647  -0.12624  1.000 29.18892  ? 57  SER C N   1 
ATOM   1869 C CA  . SER C 1 60 ? -3.89830  18.01055  -0.08843  1.000 30.88748  ? 57  SER C CA  1 
ATOM   1870 C C   . SER C 1 60 ? -3.76968  16.62421  -0.70280  1.000 34.21770  ? 57  SER C C   1 
ATOM   1871 O O   . SER C 1 60 ? -4.71240  15.83186  -0.60609  1.000 29.05009  ? 57  SER C O   1 
ATOM   1872 C CB  . SER C 1 60 ? -5.01082  18.77526  -0.82266  1.000 30.36511  ? 57  SER C CB  1 
ATOM   1873 O OG  . SER C 1 60 ? -4.76256  18.82181  -2.22334  1.000 36.13109  ? 57  SER C OG  1 
ATOM   1874 N N   . ALA C 1 61 ? -2.63287  16.31319  -1.32036  1.000 28.62355  ? 58  ALA C N   1 
ATOM   1875 C CA  . ALA C 1 61 ? -2.47199  15.08334  -2.08181  1.000 27.67244  ? 58  ALA C CA  1 
ATOM   1876 C C   . ALA C 1 61 ? -2.01475  13.96320  -1.15754  1.000 25.27078  ? 58  ALA C C   1 
ATOM   1877 O O   . ALA C 1 61 ? -0.95767  14.06321  -0.52895  1.000 26.01595  ? 58  ALA C O   1 
ATOM   1878 C CB  . ALA C 1 61 ? -1.45065  15.29002  -3.19746  1.000 28.98624  ? 58  ALA C CB  1 
ATOM   1879 N N   . ILE C 1 62 ? -2.79600  12.88878  -1.09197  1.000 22.09158  ? 59  ILE C N   1 
ATOM   1880 C CA  . ILE C 1 62 ? -2.43144  11.72145  -0.29387  1.000 21.04117  ? 59  ILE C CA  1 
ATOM   1881 C C   . ILE C 1 62 ? -1.52261  10.82082  -1.11726  1.000 19.23893  ? 59  ILE C C   1 
ATOM   1882 O O   . ILE C 1 62 ? -1.70419  10.65020  -2.32469  1.000 22.58742  ? 59  ILE C O   1 
ATOM   1883 C CB  . ILE C 1 62 ? -3.68438  10.96616  0.19456   1.000 18.21047  ? 59  ILE C CB  1 
ATOM   1884 C CG1 . ILE C 1 62 ? -3.29945  9.87679   1.19393   1.000 19.27046  ? 59  ILE C CG1 1 
ATOM   1885 C CG2 . ILE C 1 62 ? -4.43734  10.32622  -0.97404  1.000 21.77792  ? 59  ILE C CG2 1 
ATOM   1886 C CD1 . ILE C 1 62 ? -2.71416  10.39546  2.50027   1.000 21.80509  ? 59  ILE C CD1 1 
ATOM   1887 N N   . HIS C 1 63 ? -0.51284  10.26708  -0.45284  1.000 18.84566  ? 60  HIS C N   1 
ATOM   1888 C CA  . HIS C 1 63 ? 0.38925   9.28167   -1.02720  1.000 18.43592  ? 60  HIS C CA  1 
ATOM   1889 C C   . HIS C 1 63 ? 0.36909   8.07158   -0.11261  1.000 16.99166  ? 60  HIS C C   1 
ATOM   1890 O O   . HIS C 1 63 ? 0.52292   8.21323   1.10265   1.000 17.72315  ? 60  HIS C O   1 
ATOM   1891 C CB  . HIS C 1 63 ? 1.80887   9.85959   -1.13666  1.000 17.72936  ? 60  HIS C CB  1 
ATOM   1892 C CG  . HIS C 1 63 ? 1.88477   11.03159  -2.05917  1.000 18.93151  ? 60  HIS C CG  1 
ATOM   1893 N ND1 . HIS C 1 63 ? 2.19095   10.90418  -3.39454  1.000 21.13443  ? 60  HIS C ND1 1 
ATOM   1894 C CD2 . HIS C 1 63 ? 1.62386   12.34354  -1.85395  1.000 23.33399  ? 60  HIS C CD2 1 
ATOM   1895 C CE1 . HIS C 1 63 ? 2.13539   12.09171  -3.97161  1.000 21.99389  ? 60  HIS C CE1 1 
ATOM   1896 N NE2 . HIS C 1 63 ? 1.79536   12.98275  -3.05857  1.000 20.94206  ? 60  HIS C NE2 1 
ATOM   1897 N N   . ILE C 1 64 ? 0.15299   6.89116   -0.69068  1.000 16.31042  ? 61  ILE C N   1 
ATOM   1898 C CA  . ILE C 1 64 ? 0.01667   5.66496   0.09007   1.000 15.01942  ? 61  ILE C CA  1 
ATOM   1899 C C   . ILE C 1 64 ? 1.07021   4.66917   -0.37079  1.000 14.81676  ? 61  ILE C C   1 
ATOM   1900 O O   . ILE C 1 64 ? 1.31450   4.51645   -1.57682  1.000 15.29867  ? 61  ILE C O   1 
ATOM   1901 C CB  . ILE C 1 64 ? -1.37882  5.02714   -0.06329  1.000 14.95484  ? 61  ILE C CB  1 
ATOM   1902 C CG1 . ILE C 1 64 ? -2.49433  6.06415   0.09567   1.000 16.67215  ? 61  ILE C CG1 1 
ATOM   1903 C CG2 . ILE C 1 64 ? -1.55488  3.89446   0.93724   1.000 13.57320  ? 61  ILE C CG2 1 
ATOM   1904 C CD1 . ILE C 1 64 ? -3.86722  5.53581   -0.28106  1.000 18.12496  ? 61  ILE C CD1 1 
ATOM   1905 N N   . ARG C 1 65 ? 1.67552   3.97076   0.59032   1.000 14.08878  ? 62  ARG C N   1 
ATOM   1906 C CA  . ARG C 1 65 ? 2.61226   2.89120   0.28864   1.000 13.81862  ? 62  ARG C CA  1 
ATOM   1907 C C   . ARG C 1 65 ? 2.14261   1.63879   1.01709   1.000 13.01853  ? 62  ARG C C   1 
ATOM   1908 O O   . ARG C 1 65 ? 2.01259   1.63886   2.25376   1.000 14.20280  ? 62  ARG C O   1 
ATOM   1909 C CB  . ARG C 1 65 ? 4.05052   3.26066   0.67468   1.000 12.37287  ? 62  ARG C CB  1 
ATOM   1910 C CG  . ARG C 1 65 ? 4.58932   4.46063   -0.07827  1.000 14.47501  ? 62  ARG C CG  1 
ATOM   1911 C CD  . ARG C 1 65 ? 4.82261   4.14218   -1.54464  1.000 17.58846  ? 62  ARG C CD  1 
ATOM   1912 N NE  . ARG C 1 65 ? 5.37667   5.26614   -2.30034  1.000 16.54906  ? 62  ARG C NE  1 
ATOM   1913 C CZ  . ARG C 1 65 ? 4.66878   6.26106   -2.81192  1.000 17.02236  ? 62  ARG C CZ  1 
ATOM   1914 N NH1 . ARG C 1 65 ? 3.34535   6.27840   -2.74549  1.000 15.93299  ? 62  ARG C NH1 1 
ATOM   1915 N NH2 . ARG C 1 65 ? 5.30596   7.25292   -3.43620  1.000 17.24822  ? 62  ARG C NH2 1 
ATOM   1916 N N   . VAL C 1 66 ? 1.86127   0.58856   0.25005   1.000 13.03237  ? 63  VAL C N   1 
ATOM   1917 C CA  . VAL C 1 66 ? 1.46300   -0.70916  0.78124   1.000 13.59272  ? 63  VAL C CA  1 
ATOM   1918 C C   . VAL C 1 66 ? 2.60993   -1.68981  0.57533   1.000 13.29876  ? 63  VAL C C   1 
ATOM   1919 O O   . VAL C 1 66 ? 3.12964   -1.81920  -0.53471  1.000 14.53140  ? 63  VAL C O   1 
ATOM   1920 C CB  . VAL C 1 66 ? 0.17276   -1.20415  0.10756   1.000 15.37885  ? 63  VAL C CB  1 
ATOM   1921 C CG1 . VAL C 1 66 ? -0.14427  -2.62217  0.57922   1.000 16.44979  ? 63  VAL C CG1 1 
ATOM   1922 C CG2 . VAL C 1 66 ? -0.98288  -0.24028  0.42470   1.000 14.05615  ? 63  VAL C CG2 1 
ATOM   1923 N N   . TYR C 1 67 ? 3.01410   -2.37299  1.63782   1.000 12.35125  ? 64  TYR C N   1 
ATOM   1924 C CA  . TYR C 1 67 ? 4.09709   -3.35701  1.59578   1.000 13.75754  ? 64  TYR C CA  1 
ATOM   1925 C C   . TYR C 1 67 ? 3.48026   -4.74654  1.66621   1.000 15.97322  ? 64  TYR C C   1 
ATOM   1926 O O   . TYR C 1 67 ? 2.99150   -5.16523  2.72242   1.000 15.43660  ? 64  TYR C O   1 
ATOM   1927 C CB  . TYR C 1 67 ? 5.13496   -3.08569  2.69512   1.000 13.75753  ? 64  TYR C CB  1 
ATOM   1928 C CG  . TYR C 1 67 ? 5.71961   -1.71976  2.47067   1.000 13.42268  ? 64  TYR C CG  1 
ATOM   1929 C CD1 . TYR C 1 67 ? 6.81970   -1.54283  1.60998   1.000 12.90583  ? 64  TYR C CD1 1 
ATOM   1930 C CD2 . TYR C 1 67 ? 5.14099   -0.59031  3.05406   1.000 13.31312  ? 64  TYR C CD2 1 
ATOM   1931 C CE1 . TYR C 1 67 ? 7.31742   -0.28375  1.35144   1.000 12.48933  ? 64  TYR C CE1 1 
ATOM   1932 C CE2 . TYR C 1 67 ? 5.64522   0.67761   2.79041   1.000 14.58432  ? 64  TYR C CE2 1 
ATOM   1933 C CZ  . TYR C 1 67 ? 6.73190   0.81786   1.92529   1.000 13.27568  ? 64  TYR C CZ  1 
ATOM   1934 O OH  . TYR C 1 67 ? 7.19089   2.07713   1.65048   1.000 15.22276  ? 64  TYR C OH  1 
ATOM   1935 N N   . ALA C 1 68 ? 3.44757   -5.42945  0.52374   1.000 16.37746  ? 65  ALA C N   1 
ATOM   1936 C CA  . ALA C 1 68 ? 2.82715   -6.74278  0.39997   1.000 16.32154  ? 65  ALA C CA  1 
ATOM   1937 C C   . ALA C 1 68 ? 3.92191   -7.79852  0.38424   1.000 16.34781  ? 65  ALA C C   1 
ATOM   1938 O O   . ALA C 1 68 ? 4.81230   -7.75597  -0.47287  1.000 18.15473  ? 65  ALA C O   1 
ATOM   1939 C CB  . ALA C 1 68 ? 2.02659   -6.83517  -0.89703  1.000 15.38275  ? 65  ALA C CB  1 
ATOM   1940 N N   . SER C 1 69 ? 3.85770   -8.75183  1.31170   1.000 17.76774  ? 66  SER C N   1 
ATOM   1941 C CA  . SER C 1 69 ? 4.88257   -9.78503  1.41626   1.000 17.91185  ? 66  SER C CA  1 
ATOM   1942 C C   . SER C 1 69 ? 4.30471   -11.15867 1.10937   1.000 21.38265  ? 66  SER C C   1 
ATOM   1943 O O   . SER C 1 69 ? 3.24987   -11.52848 1.63073   1.000 23.25279  ? 66  SER C O   1 
ATOM   1944 C CB  . SER C 1 69 ? 5.54407   -9.78032  2.79412   1.000 19.88971  ? 66  SER C CB  1 
ATOM   1945 O OG  . SER C 1 69 ? 6.18831   -8.54104  3.02237   1.000 18.42377  ? 66  SER C OG  1 
ATOM   1946 N N   . THR C 1 70 ? 5.00884   -11.90790 0.26406   1.000 22.83750  ? 67  THR C N   1 
ATOM   1947 C CA  . THR C 1 70 ? 4.75726   -13.32675 0.04857   1.000 24.83649  ? 67  THR C CA  1 
ATOM   1948 C C   . THR C 1 70 ? 6.09777   -14.02468 0.22331   1.000 24.94357  ? 67  THR C C   1 
ATOM   1949 O O   . THR C 1 70 ? 7.06641   -13.68906 -0.46579  1.000 25.43899  ? 67  THR C O   1 
ATOM   1950 C CB  . THR C 1 70 ? 4.20914   -13.56916 -1.36078  1.000 29.18090  ? 67  THR C CB  1 
ATOM   1951 O OG1 . THR C 1 70 ? 3.00037   -12.82283 -1.53799  1.000 29.95497  ? 67  THR C OG1 1 
ATOM   1952 C CG2 . THR C 1 70 ? 3.91459   -15.04690 -1.58007  1.000 28.14224  ? 67  THR C CG2 1 
ATOM   1953 N N   . GLY C 1 71 ? 6.16182   -14.96722 1.15582   1.000 29.16470  ? 68  GLY C N   1 
ATOM   1954 C CA  . GLY C 1 71 ? 7.44996   -15.55976 1.47526   1.000 30.02333  ? 68  GLY C CA  1 
ATOM   1955 C C   . GLY C 1 71 ? 8.36127   -14.50321 2.06060   1.000 30.62974  ? 68  GLY C C   1 
ATOM   1956 O O   . GLY C 1 71 ? 7.98842   -13.77555 2.98654   1.000 32.46604  ? 68  GLY C O   1 
ATOM   1957 N N   . THR C 1 72 ? 9.57005   -14.39588 1.51536   1.000 29.46058  ? 69  THR C N   1 
ATOM   1958 C CA  . THR C 1 72 ? 10.51822  -13.37321 1.93674   1.000 25.13834  ? 69  THR C CA  1 
ATOM   1959 C C   . THR C 1 72 ? 10.58732  -12.20644 0.96635   1.000 27.67975  ? 69  THR C C   1 
ATOM   1960 O O   . THR C 1 72 ? 11.47981  -11.36231 1.08952   1.000 31.36667  ? 69  THR C O   1 
ATOM   1961 C CB  . THR C 1 72 ? 11.91117  -13.97651 2.12903   1.000 31.99564  ? 69  THR C CB  1 
ATOM   1962 O OG1 . THR C 1 72 ? 12.32272  -14.62593 0.92040   1.000 31.66765  ? 69  THR C OG1 1 
ATOM   1963 C CG2 . THR C 1 72 ? 11.90465  -14.97893 3.27281   1.000 35.16648  ? 69  THR C CG2 1 
ATOM   1964 N N   . THR C 1 73 ? 9.67113   -12.13961 0.00572   1.000 23.56991  ? 70  THR C N   1 
ATOM   1965 C CA  . THR C 1 73 ? 9.67102   -11.09828 -1.01123  1.000 24.47538  ? 70  THR C CA  1 
ATOM   1966 C C   . THR C 1 73 ? 8.59490   -10.07461 -0.67344  1.000 21.30308  ? 70  THR C C   1 
ATOM   1967 O O   . THR C 1 73 ? 7.39592   -10.39273 -0.67955  1.000 22.23697  ? 70  THR C O   1 
ATOM   1968 C CB  . THR C 1 73 ? 9.40826   -11.69478 -2.39295  1.000 24.78067  ? 70  THR C CB  1 
ATOM   1969 O OG1 . THR C 1 73 ? 10.46522  -12.60486 -2.72599  1.000 31.56781  ? 70  THR C OG1 1 
ATOM   1970 C CG2 . THR C 1 73 ? 9.34916   -10.59487 -3.44663  1.000 30.45802  ? 70  THR C CG2 1 
ATOM   1971 N N   . THR C 1 74 ? 9.02549   -8.85219  -0.39106  1.000 21.00300  ? 71  THR C N   1 
ATOM   1972 C CA  . THR C 1 74 ? 8.12944   -7.74052  -0.11920  1.000 20.80816  ? 71  THR C CA  1 
ATOM   1973 C C   . THR C 1 74 ? 8.09065   -6.82555  -1.33102  1.000 19.86026  ? 71  THR C C   1 
ATOM   1974 O O   . THR C 1 74 ? 9.13343   -6.33243  -1.77362  1.000 20.58257  ? 71  THR C O   1 
ATOM   1975 C CB  . THR C 1 74 ? 8.62324   -6.96305  1.09378   1.000 18.90243  ? 71  THR C CB  1 
ATOM   1976 O OG1 . THR C 1 74 ? 8.63627   -7.82311  2.23151   1.000 18.83319  ? 71  THR C OG1 1 
ATOM   1977 C CG2 . THR C 1 74 ? 7.70778   -5.77923  1.35876   1.000 19.89865  ? 71  THR C CG2 1 
ATOM   1978 N N   . THR C 1 75 ? 6.89558   -6.60354  -1.86193  1.000 17.53051  ? 72  THR C N   1 
ATOM   1979 C CA  . THR C 1 75 ? 6.67583   -5.67793  -2.96021  1.000 18.52826  ? 72  THR C CA  1 
ATOM   1980 C C   . THR C 1 75 ? 5.99691   -4.43138  -2.41459  1.000 15.44985  ? 72  THR C C   1 
ATOM   1981 O O   . THR C 1 75 ? 4.96782   -4.52613  -1.73607  1.000 16.27686  ? 72  THR C O   1 
ATOM   1982 C CB  . THR C 1 75 ? 5.77256   -6.30265  -4.03103  1.000 18.42752  ? 72  THR C CB  1 
ATOM   1983 O OG1 . THR C 1 75 ? 6.34321   -7.53799  -4.48881  1.000 22.66837  ? 72  THR C OG1 1 
ATOM   1984 C CG2 . THR C 1 75 ? 5.62288   -5.35569  -5.20588  1.000 18.76023  ? 72  THR C CG2 1 
ATOM   1985 N N   . GLU C 1 76 ? 6.54421   -3.27094  -2.74163  1.000 14.65087  ? 73  GLU C N   1 
ATOM   1986 C CA  . GLU C 1 76 ? 5.93003   -1.99278  -2.41676  1.000 14.98089  ? 73  GLU C CA  1 
ATOM   1987 C C   . GLU C 1 76 ? 5.00313   -1.54853  -3.53682  1.000 13.19099  ? 73  GLU C C   1 
ATOM   1988 O O   . GLU C 1 76 ? 5.39116   -1.53934  -4.70914  1.000 14.25354  ? 73  GLU C O   1 
ATOM   1989 C CB  . GLU C 1 76 ? 7.01599   -0.94360  -2.23889  1.000 15.47607  ? 73  GLU C CB  1 
ATOM   1990 C CG  . GLU C 1 76 ? 6.52760   0.45351   -1.92574  1.000 13.44364  ? 73  GLU C CG  1 
ATOM   1991 C CD  . GLU C 1 76 ? 7.65695   1.45439   -1.93924  1.000 12.80294  ? 73  GLU C CD  1 
ATOM   1992 O OE1 . GLU C 1 76 ? 8.44732   1.41336   -2.90708  1.000 14.79530  ? 73  GLU C OE1 1 
ATOM   1993 O OE2 . GLU C 1 76 ? 7.78744   2.29113   -1.01860  1.000 14.99261  ? 73  GLU C OE2 1 
ATOM   1994 N N   . TRP C 1 77 ? 3.79676   -1.15882  -3.16476  1.000 13.36491  ? 74  TRP C N   1 
ATOM   1995 C CA  . TRP C 1 77 ? 2.80958   -0.61834  -4.08392  1.000 14.72996  ? 74  TRP C CA  1 
ATOM   1996 C C   . TRP C 1 77 ? 2.54833   0.82869   -3.71144  1.000 14.38847  ? 74  TRP C C   1 
ATOM   1997 O O   . TRP C 1 77 ? 2.42045   1.15967   -2.52379  1.000 14.55908  ? 74  TRP C O   1 
ATOM   1998 C CB  . TRP C 1 77 ? 1.52759   -1.43405  -4.01459  1.000 13.57766  ? 74  TRP C CB  1 
ATOM   1999 C CG  . TRP C 1 77 ? 1.72144   -2.83100  -4.53901  1.000 14.34519  ? 74  TRP C CG  1 
ATOM   2000 C CD1 . TRP C 1 77 ? 1.95141   -3.95724  -3.81250  1.000 15.02361  ? 74  TRP C CD1 1 
ATOM   2001 C CD2 . TRP C 1 77 ? 1.73775   -3.23295  -5.91672  1.000 16.49782  ? 74  TRP C CD2 1 
ATOM   2002 N NE1 . TRP C 1 77 ? 2.09057   -5.04272  -4.64660  1.000 17.50978  ? 74  TRP C NE1 1 
ATOM   2003 C CE2 . TRP C 1 77 ? 1.96888   -4.62060  -5.94341  1.000 17.52850  ? 74  TRP C CE2 1 
ATOM   2004 C CE3 . TRP C 1 77 ? 1.56003   -2.55207  -7.12554  1.000 19.86974  ? 74  TRP C CE3 1 
ATOM   2005 C CZ2 . TRP C 1 77 ? 2.02323   -5.34632  -7.13564  1.000 19.87485  ? 74  TRP C CZ2 1 
ATOM   2006 C CZ3 . TRP C 1 77 ? 1.61746   -3.27402  -8.30882  1.000 21.46951  ? 74  TRP C CZ3 1 
ATOM   2007 C CH2 . TRP C 1 77 ? 1.85262   -4.65309  -8.30298  1.000 22.50811  ? 74  TRP C CH2 1 
ATOM   2008 N N   . CYS C 1 78 ? 2.45671   1.68789   -4.72266  1.000 14.76635  ? 75  CYS C N   1 
ATOM   2009 C CA  . CYS C 1 78 ? 2.45758   3.13069   -4.53493  1.000 12.29512  ? 75  CYS C CA  1 
ATOM   2010 C C   . CYS C 1 78 ? 1.20485   3.72268   -5.13971  1.000 15.68190  ? 75  CYS C C   1 
ATOM   2011 O O   . CYS C 1 78 ? 0.92363   3.49817   -6.32052  1.000 15.39206  ? 75  CYS C O   1 
ATOM   2012 C CB  . CYS C 1 78 ? 3.64064   3.75659   -5.27639  1.000 16.97244  ? 75  CYS C CB  1 
ATOM   2013 S SG  . CYS C 1 78 ? 5.23667   3.06224   -4.82453  1.000 16.14043  ? 75  CYS C SG  1 
ATOM   2014 N N   . TRP C 1 79 ? 0.49033   4.51268   -4.34999  1.000 14.73662  ? 76  TRP C N   1 
ATOM   2015 C CA  . TRP C 1 79 ? -0.61104  5.32995   -4.83959  1.000 16.67350  ? 76  TRP C CA  1 
ATOM   2016 C C   . TRP C 1 79 ? -0.18422  6.78215   -4.74047  1.000 19.27571  ? 76  TRP C C   1 
ATOM   2017 O O   . TRP C 1 79 ? 0.13793   7.26453   -3.64926  1.000 19.63969  ? 76  TRP C O   1 
ATOM   2018 C CB  . TRP C 1 79 ? -1.87387  5.13256   -3.99963  1.000 16.04091  ? 76  TRP C CB  1 
ATOM   2019 C CG  . TRP C 1 79 ? -2.92962  6.12447   -4.38847  1.000 21.59547  ? 76  TRP C CG  1 
ATOM   2020 C CD1 . TRP C 1 79 ? -3.08838  7.40089   -3.91361  1.000 24.31623  ? 76  TRP C CD1 1 
ATOM   2021 C CD2 . TRP C 1 79 ? -3.95064  5.92670   -5.36019  1.000 21.84073  ? 76  TRP C CD2 1 
ATOM   2022 N NE1 . TRP C 1 79 ? -4.15870  8.00501   -4.53824  1.000 24.42524  ? 76  TRP C NE1 1 
ATOM   2023 C CE2 . TRP C 1 79 ? -4.70432  7.11697   -5.42912  1.000 22.20806  ? 76  TRP C CE2 1 
ATOM   2024 C CE3 . TRP C 1 79 ? -4.30632  4.85324   -6.17798  1.000 19.53464  ? 76  TRP C CE3 1 
ATOM   2025 C CZ2 . TRP C 1 79 ? -5.79403  7.26218   -6.28705  1.000 22.30712  ? 76  TRP C CZ2 1 
ATOM   2026 C CZ3 . TRP C 1 79 ? -5.38037  4.99620   -7.02547  1.000 21.23354  ? 76  TRP C CZ3 1 
ATOM   2027 C CH2 . TRP C 1 79 ? -6.11832  6.19023   -7.07191  1.000 24.56914  ? 76  TRP C CH2 1 
ATOM   2028 N N   . ASP C 1 80 ? -0.19531  7.48104   -5.86647  1.000 22.52802  ? 77  ASP C N   1 
ATOM   2029 C CA  . ASP C 1 80 ? 0.20523   8.87882   -5.91051  1.000 22.68726  ? 77  ASP C CA  1 
ATOM   2030 C C   . ASP C 1 80 ? -0.79954  9.69539   -6.71578  1.000 26.65604  ? 77  ASP C C   1 
ATOM   2031 O O   . ASP C 1 80 ? -0.43103  10.55337  -7.52283  1.000 34.24857  ? 77  ASP C O   1 
ATOM   2032 C CB  . ASP C 1 80 ? 1.62035   9.01916   -6.46154  1.000 23.18035  ? 77  ASP C CB  1 
ATOM   2033 C CG  . ASP C 1 80 ? 2.64890   8.26412   -5.62669  1.000 27.23217  ? 77  ASP C CG  1 
ATOM   2034 O OD1 . ASP C 1 80 ? 2.96549   8.71452   -4.50748  1.000 23.32246  ? 77  ASP C OD1 1 
ATOM   2035 O OD2 . ASP C 1 80 ? 3.12165   7.19944   -6.07292  1.000 28.23554  ? 77  ASP C OD2 1 
ATOM   2036 N N   . GLY C 1 81 ? -2.08481  9.42479   -6.51895  1.000 24.43517  ? 78  GLY C N   1 
ATOM   2037 C CA  . GLY C 1 81 ? -3.13674  10.21284  -7.11745  1.000 28.53708  ? 78  GLY C CA  1 
ATOM   2038 C C   . GLY C 1 81 ? -3.76163  9.62104   -8.36112  1.000 25.35106  ? 78  GLY C C   1 
ATOM   2039 O O   . GLY C 1 81 ? -4.84904  10.06329  -8.74372  1.000 29.05738  ? 78  GLY C O   1 
ATOM   2040 N N   . ASN C 1 82 ? -3.12235  8.63300   -9.00359  1.000 25.23917  ? 79  ASN C N   1 
ATOM   2041 C CA  . ASN C 1 82 ? -3.65848  8.10034   -10.26252 1.000 31.17650  ? 79  ASN C CA  1 
ATOM   2042 C C   . ASN C 1 82 ? -3.19422  6.65669   -10.49978 1.000 28.74929  ? 79  ASN C C   1 
ATOM   2043 O O   . ASN C 1 82 ? -2.43529  6.33809   -11.41845 1.000 34.66496  ? 79  ASN C O   1 
ATOM   2044 C CB  . ASN C 1 82 ? -3.33952  9.00831   -11.45400 1.000 42.80992  ? 79  ASN C CB  1 
ATOM   2045 C CG  . ASN C 1 82 ? -1.87890  9.40512   -11.51171 1.000 53.05321  ? 79  ASN C CG  1 
ATOM   2046 O OD1 . ASN C 1 82 ? -1.07297  8.97253   -10.68631 1.000 60.19070  ? 79  ASN C OD1 1 
ATOM   2047 N ND2 . ASN C 1 82 ? -1.52748  10.23069  -12.49375 1.000 61.11082  ? 79  ASN C ND2 1 
ATOM   2048 N N   . GLY C 1 83 ? -3.68012  5.74234   -9.67002  1.000 26.53264  ? 80  GLY C N   1 
ATOM   2049 C CA  . GLY C 1 83 ? -3.45159  4.33025   -9.87800  1.000 22.27396  ? 80  GLY C CA  1 
ATOM   2050 C C   . GLY C 1 83 ? -2.28681  3.81293   -9.04772  1.000 21.62517  ? 80  GLY C C   1 
ATOM   2051 O O   . GLY C 1 83 ? -1.39293  4.55564   -8.63773  1.000 23.40459  ? 80  GLY C O   1 
ATOM   2052 N N   . TRP C 1 84 ? -2.30172  2.50358   -8.81305  1.000 17.82956  ? 81  TRP C N   1 
ATOM   2053 C CA  . TRP C 1 84 ? -1.24220  1.82421   -8.07603  1.000 17.55646  ? 81  TRP C CA  1 
ATOM   2054 C C   . TRP C 1 84 ? -0.12818  1.37914   -9.00873  1.000 18.26284  ? 81  TRP C C   1 
ATOM   2055 O O   . TRP C 1 84 ? -0.37789  0.82488   -10.08247 1.000 19.91378  ? 81  TRP C O   1 
ATOM   2056 C CB  . TRP C 1 84 ? -1.78873  0.59600   -7.35331  1.000 17.77726  ? 81  TRP C CB  1 
ATOM   2057 C CG  . TRP C 1 84 ? -2.73066  0.94459   -6.26530  1.000 14.37526  ? 81  TRP C CG  1 
ATOM   2058 C CD1 . TRP C 1 84 ? -4.09272  1.02873   -6.34906  1.000 15.96337  ? 81  TRP C CD1 1 
ATOM   2059 C CD2 . TRP C 1 84 ? -2.38461  1.26445   -4.91349  1.000 12.94743  ? 81  TRP C CD2 1 
ATOM   2060 N NE1 . TRP C 1 84 ? -4.61199  1.38812   -5.12308  1.000 15.07198  ? 81  TRP C NE1 1 
ATOM   2061 C CE2 . TRP C 1 84 ? -3.58515  1.53237   -4.22882  1.000 13.55968  ? 81  TRP C CE2 1 
ATOM   2062 C CE3 . TRP C 1 84 ? -1.17536  1.34972   -4.21331  1.000 14.61101  ? 81  TRP C CE3 1 
ATOM   2063 C CZ2 . TRP C 1 84 ? -3.61261  1.87196   -2.87612  1.000 15.59528  ? 81  TRP C CZ2 1 
ATOM   2064 C CZ3 . TRP C 1 84 ? -1.21188  1.68637   -2.86790  1.000 13.45382  ? 81  TRP C CZ3 1 
ATOM   2065 C CH2 . TRP C 1 84 ? -2.42044  1.94538   -2.21756  1.000 15.49124  ? 81  TRP C CH2 1 
ATOM   2066 N N   . THR C 1 85 ? 1.11070   1.60930   -8.58756  1.000 15.90798  ? 82  THR C N   1 
ATOM   2067 C CA  . THR C 1 85 ? 2.28324   1.22636   -9.36875  1.000 16.87337  ? 82  THR C CA  1 
ATOM   2068 C C   . THR C 1 85 ? 3.29707   0.60321   -8.42364  1.000 16.83446  ? 82  THR C C   1 
ATOM   2069 O O   . THR C 1 85 ? 3.31502   0.90347   -7.23515  1.000 16.62951  ? 82  THR C O   1 
ATOM   2070 C CB  . THR C 1 85 ? 2.93760   2.43975   -10.05924 1.000 21.56155  ? 82  THR C CB  1 
ATOM   2071 O OG1 . THR C 1 85 ? 3.45352   3.33210   -9.05803  1.000 26.64125  ? 82  THR C OG1 1 
ATOM   2072 C CG2 . THR C 1 85 ? 1.94228   3.18094   -10.94075 1.000 26.91789  ? 82  THR C CG2 1 
ATOM   2073 N N   . LYS C 1 86 ? 4.16225   -0.25434  -8.94967  1.000 15.68777  ? 83  LYS C N   1 
ATOM   2074 C CA  . LYS C 1 86 ? 5.15782   -0.89882  -8.09940  1.000 15.16073  ? 83  LYS C CA  1 
ATOM   2075 C C   . LYS C 1 86 ? 6.27654   0.07716   -7.76955  1.000 17.90892  ? 83  LYS C C   1 
ATOM   2076 O O   . LYS C 1 86 ? 6.74652   0.82522   -8.63387  1.000 17.19656  ? 83  LYS C O   1 
ATOM   2077 C CB  . LYS C 1 86 ? 5.75797   -2.12268  -8.79599  1.000 25.97107  ? 83  LYS C CB  1 
ATOM   2078 C CG  . LYS C 1 86 ? 4.88781   -3.36225  -8.75172  1.000 24.13314  ? 83  LYS C CG  1 
ATOM   2079 C CD  . LYS C 1 86 ? 5.66615   -4.64265  -9.05748  1.000 27.50308  ? 83  LYS C CD  1 
ATOM   2080 C CE  . LYS C 1 86 ? 6.16599   -4.66698  -10.49903 1.000 34.90575  ? 83  LYS C CE  1 
ATOM   2081 N NZ  . LYS C 1 86 ? 5.09547   -4.29041  -11.47870 1.000 32.85530  ? 83  LYS C NZ  1 
ATOM   2082 N N   . GLY C 1 87 ? 6.71362   0.06929   -6.50723  1.000 13.50357  ? 84  GLY C N   1 
ATOM   2083 C CA  . GLY C 1 87 ? 7.77198   0.94754   -6.06908  1.000 17.43758  ? 84  GLY C CA  1 
ATOM   2084 C C   . GLY C 1 87 ? 9.14080   0.28123   -6.10647  1.000 13.70951  ? 84  GLY C C   1 
ATOM   2085 O O   . GLY C 1 87 ? 9.28648   -0.90819  -6.38005  1.000 16.25446  ? 84  GLY C O   1 
ATOM   2086 N N   . ALA C 1 88 ? 10.15801  1.08041   -5.78031  1.000 14.34678  ? 85  ALA C N   1 
ATOM   2087 C CA  . ALA C 1 88 ? 11.54450  0.64066   -5.83433  1.000 16.30180  ? 85  ALA C CA  1 
ATOM   2088 C C   . ALA C 1 88 ? 11.96396  -0.19015  -4.63024  1.000 15.46720  ? 85  ALA C C   1 
ATOM   2089 O O   . ALA C 1 88 ? 13.06766  -0.73612  -4.64598  1.000 17.42565  ? 85  ALA C O   1 
ATOM   2090 C CB  . ALA C 1 88 ? 12.45694  1.86010   -5.95111  1.000 16.55331  ? 85  ALA C CB  1 
ATOM   2091 N N   . TYR C 1 89 ? 11.12787  -0.30478  -3.59305  1.000 15.46070  ? 86  TYR C N   1 
ATOM   2092 C CA  . TYR C 1 89 ? 11.54282  -0.98989  -2.36870  1.000 13.00947  ? 86  TYR C CA  1 
ATOM   2093 C C   . TYR C 1 89 ? 12.06000  -2.39470  -2.65595  1.000 15.20010  ? 86  TYR C C   1 
ATOM   2094 O O   . TYR C 1 89 ? 11.44533  -3.15902  -3.40409  1.000 17.36236  ? 86  TYR C O   1 
ATOM   2095 C CB  . TYR C 1 89 ? 10.36031  -1.08087  -1.39284  1.000 13.50378  ? 86  TYR C CB  1 
ATOM   2096 C CG  . TYR C 1 89 ? 10.69076  -1.87628  -0.12633  1.000 13.67499  ? 86  TYR C CG  1 
ATOM   2097 C CD1 . TYR C 1 89 ? 10.52263  -3.25646  -0.08977  1.000 15.14087  ? 86  TYR C CD1 1 
ATOM   2098 C CD2 . TYR C 1 89 ? 11.19071  -1.24583  1.00974   1.000 14.59909  ? 86  TYR C CD2 1 
ATOM   2099 C CE1 . TYR C 1 89 ? 10.84755  -3.98699  1.04542   1.000 16.97829  ? 86  TYR C CE1 1 
ATOM   2100 C CE2 . TYR C 1 89 ? 11.51365  -1.97435  2.14820   1.000 15.58025  ? 86  TYR C CE2 1 
ATOM   2101 C CZ  . TYR C 1 89 ? 11.34276  -3.32992  2.14868   1.000 14.79823  ? 86  TYR C CZ  1 
ATOM   2102 O OH  . TYR C 1 89 ? 11.64535  -4.05210  3.27322   1.000 16.71122  ? 86  TYR C OH  1 
ATOM   2103 N N   . THR C 1 90 ? 13.21691  -2.71158  -2.08124  1.000 15.07039  ? 87  THR C N   1 
ATOM   2104 C CA  . THR C 1 90 ? 13.71678  -4.07091  -1.96032  1.000 17.47379  ? 87  THR C CA  1 
ATOM   2105 C C   . THR C 1 90 ? 14.19554  -4.26550  -0.52520  1.000 18.85261  ? 87  THR C C   1 
ATOM   2106 O O   . THR C 1 90 ? 14.59480  -3.31240  0.14804   1.000 18.01639  ? 87  THR C O   1 
ATOM   2107 C CB  . THR C 1 90 ? 14.89375  -4.32517  -2.91422  1.000 20.21339  ? 87  THR C CB  1 
ATOM   2108 O OG1 . THR C 1 90 ? 15.96157  -3.44138  -2.58059  1.000 20.70974  ? 87  THR C OG1 1 
ATOM   2109 C CG2 . THR C 1 90 ? 14.47308  -4.09653  -4.37508  1.000 23.00952  ? 87  THR C CG2 1 
ATOM   2110 N N   . ALA C 1 91 ? 14.14711  -5.50679  -0.05234  1.000 25.52711  ? 88  ALA C N   1 
ATOM   2111 C CA  . ALA C 1 91 ? 14.48107  -5.78287  1.33752   1.000 28.43697  ? 88  ALA C CA  1 
ATOM   2112 C C   . ALA C 1 91 ? 15.96531  -6.09322  1.48230   1.000 38.32122  ? 88  ALA C C   1 
ATOM   2113 O O   . ALA C 1 91 ? 16.73847  -6.01682  0.52927   1.000 37.15058  ? 88  ALA C O   1 
ATOM   2114 C CB  . ALA C 1 91 ? 13.64503  -6.93581  1.88181   1.000 26.87410  ? 88  ALA C CB  1 
ATOM   2115 N N   . THR C 1 92 ? 16.36811  -6.45279  2.70360   0.000 29.65238  ? 89  THR C N   1 
ATOM   2116 C CA  . THR C 1 92 ? 17.75482  -6.83890  2.94207   0.000 30.01706  ? 89  THR C CA  1 
ATOM   2117 C C   . THR C 1 92 ? 18.08328  -8.15714  2.25260   0.000 31.77543  ? 89  THR C C   1 
ATOM   2118 O O   . THR C 1 92 ? 19.15242  -8.29970  1.64782   0.000 32.39709  ? 89  THR C O   1 
ATOM   2119 C CB  . THR C 1 92 ? 18.01560  -6.93704  4.44535   0.000 28.80230  ? 89  THR C CB  1 
ATOM   2120 O OG1 . THR C 1 92 ? 17.67731  -5.69402  5.07324   0.000 26.08400  ? 89  THR C OG1 1 
ATOM   2121 C CG2 . THR C 1 92 ? 19.47945  -7.25165  4.71380   0.000 29.34432  ? 89  THR C CG2 1 
ATOM   2122 N N   . ASN C 1 93 ? 17.17670  -9.12602  2.32668   0.000 32.02826  ? 90  ASN C N   1 
ATOM   2123 C CA  . ASN C 1 93 ? 17.38152  -10.42230 1.69197   0.000 32.59304  ? 90  ASN C CA  1 
ATOM   2124 C C   . ASN C 1 93 ? 17.09360  -10.36129 0.19453   0.000 33.01322  ? 90  ASN C C   1 
ATOM   2125 O O   . ASN C 1 93 ? 16.35864  -9.49052  -0.27180  0.000 32.93286  ? 90  ASN C O   1 
ATOM   2126 C CB  . ASN C 1 93 ? 16.50923  -11.48845 2.36053   0.000 32.68397  ? 90  ASN C CB  1 
ATOM   2127 C CG  . ASN C 1 93 ? 15.07883  -11.02588 2.57320   0.000 32.57436  ? 90  ASN C CG  1 
ATOM   2128 O OD1 . ASN C 1 93 ? 14.59934  -10.11428 1.89920   0.000 32.85859  ? 90  ASN C OD1 1 
ATOM   2129 N ND2 . ASN C 1 93 ? 14.39030  -11.65424 3.51869   0.000 32.25772  ? 90  ASN C ND2 1 
HETATM 2130 C C1  . BDF D 2 .  ? 19.17561  6.43810   8.89365   1.000 22.34532  ? 101 BDF A C1  1 
HETATM 2131 C C2  . BDF D 2 .  ? 18.69987  6.25787   10.32327  1.000 18.62495  ? 101 BDF A C2  1 
HETATM 2132 C C3  . BDF D 2 .  ? 18.55437  4.78080   10.71374  1.000 18.77903  ? 101 BDF A C3  1 
HETATM 2133 C C4  . BDF D 2 .  ? 17.91343  4.67604   12.09810  1.000 20.13910  ? 101 BDF A C4  1 
HETATM 2134 C C5  . BDF D 2 .  ? 16.59590  5.43803   12.12742  1.000 20.17206  ? 101 BDF A C5  1 
HETATM 2135 C C6  . BDF D 2 .  ? 16.84016  6.86947   11.70030  1.000 21.77971  ? 101 BDF A C6  1 
HETATM 2136 O O1  . BDF D 2 .  ? 19.47686  7.79937   8.63254   1.000 33.89085  ? 101 BDF A O1  1 
HETATM 2137 O O2  . BDF D 2 .  ? 19.57085  6.85692   11.23896  1.000 20.10491  ? 101 BDF A O2  1 
HETATM 2138 O O3  . BDF D 2 .  ? 19.82454  4.13444   10.72770  1.000 20.10782  ? 101 BDF A O3  1 
HETATM 2139 O O4  . BDF D 2 .  ? 17.73857  3.31191   12.46035  1.000 18.42767  ? 101 BDF A O4  1 
HETATM 2140 O O5  . BDF D 2 .  ? 15.65512  4.86888   11.21171  1.000 19.75197  ? 101 BDF A O5  1 
HETATM 2141 O O6  . BDF D 2 .  ? 17.43110  6.90063   10.39459  1.000 20.24493  ? 101 BDF A O6  1 
HETATM 2142 C C1  . BDF E 2 .  ? 11.75069  7.65347   25.38193  1.000 32.27867  ? 102 BDF A C1  1 
HETATM 2143 C C2  . BDF E 2 .  ? 10.31972  7.50696   25.88401  1.000 21.13573  ? 102 BDF A C2  1 
HETATM 2144 C C3  . BDF E 2 .  ? 9.94542   6.03261   26.07633  1.000 20.30112  ? 102 BDF A C3  1 
HETATM 2145 C C4  . BDF E 2 .  ? 8.46886   5.92329   26.42722  1.000 21.56043  ? 102 BDF A C4  1 
HETATM 2146 C C5  . BDF E 2 .  ? 7.63732   6.56908   25.33217  1.000 20.74572  ? 102 BDF A C5  1 
HETATM 2147 C C6  . BDF E 2 .  ? 8.08523   8.00484   25.13991  1.000 20.28080  ? 102 BDF A C6  1 
HETATM 2148 O O1  . BDF E 2 .  ? 12.13475  9.01660   25.27135  1.000 36.73337  ? 102 BDF A O1  1 
HETATM 2149 O O2  . BDF E 2 .  ? 10.13237  8.16445   27.11191  1.000 28.18288  ? 102 BDF A O2  1 
HETATM 2150 O O3  . BDF E 2 .  ? 10.73345  5.43855   27.09996  1.000 21.25992  ? 102 BDF A O3  1 
HETATM 2151 O O4  . BDF E 2 .  ? 8.10722   4.55948   26.59769  1.000 22.39318  ? 102 BDF A O4  1 
HETATM 2152 O O5  . BDF E 2 .  ? 7.82330   5.85715   24.10684  1.000 22.37460  ? 102 BDF A O5  1 
HETATM 2153 O O6  . BDF E 2 .  ? 9.49401   8.07963   24.87298  1.000 22.91895  ? 102 BDF A O6  1 
HETATM 2154 O O3  . T3Y F 3 .  ? 5.81545   -24.15694 7.39218   1.000 50.16106  ? 103 T3Y A O3  1 
HETATM 2155 S S1  . T3Y F 3 .  ? 6.17772   -23.99802 5.95890   1.000 48.85536  ? 103 T3Y A S1  1 
HETATM 2156 O O1  . T3Y F 3 .  ? 6.98027   -22.82134 5.75077   1.000 48.92139  ? 103 T3Y A O1  1 
HETATM 2157 O O2  . T3Y F 3 .  ? 5.00030   -24.07585 5.13313   1.000 41.00614  ? 103 T3Y A O2  1 
HETATM 2158 C C1  . T3Y F 3 .  ? 7.19535   -25.38896 5.54251   1.000 33.44108  ? 103 T3Y A C1  1 
HETATM 2159 C C24 . T3Y F 3 .  ? 7.31067   -25.78730 4.22121   1.000 35.27608  ? 103 T3Y A C24 1 
HETATM 2160 C C23 . T3Y F 3 .  ? 8.10312   -26.87453 3.87641   1.000 26.67066  ? 103 T3Y A C23 1 
HETATM 2161 C C22 . T3Y F 3 .  ? 8.23655   -27.30648 2.42611   1.000 25.15325  ? 103 T3Y A C22 1 
HETATM 2162 C C2  . T3Y F 3 .  ? 7.87038   -26.06616 6.54371   1.000 36.76608  ? 103 T3Y A C2  1 
HETATM 2163 C C3  . T3Y F 3 .  ? 8.67133   -27.15739 6.24000   1.000 29.75217  ? 103 T3Y A C3  1 
HETATM 2164 C C25 . T3Y F 3 .  ? 8.77748   -27.55197 4.90091   1.000 25.64997  ? 103 T3Y A C25 1 
HETATM 2165 O O13 . T3Y F 3 .  ? 9.55918   -28.62194 4.59353   1.000 24.28615  ? 103 T3Y A O13 1 
HETATM 2166 C C4  . T3Y F 3 .  ? 9.41444   -27.90270 7.33256   1.000 25.37867  ? 103 T3Y A C4  1 
HETATM 2167 C C5  . T3Y F 3 .  ? 10.77140  -27.28995 7.64148   1.000 24.50441  ? 103 T3Y A C5  1 
HETATM 2168 C C6  . T3Y F 3 .  ? 10.94335  -26.54568 8.80041   1.000 27.50651  ? 103 T3Y A C6  1 
HETATM 2169 C C7  . T3Y F 3 .  ? 12.16739  -25.97075 9.09160   1.000 22.12685  ? 103 T3Y A C7  1 
HETATM 2170 S S2  . T3Y F 3 .  ? 12.38560  -25.04505 10.58545  1.000 28.90327  ? 103 T3Y A S2  1 
HETATM 2171 O O4  . T3Y F 3 .  ? 11.52654  -23.89259 10.49800  1.000 37.51654  ? 103 T3Y A O4  1 
HETATM 2172 O O5  . T3Y F 3 .  ? 11.97669  -25.94757 11.69453  1.000 30.53604  ? 103 T3Y A O5  1 
HETATM 2173 O O6  . T3Y F 3 .  ? 13.79359  -24.75849 10.68370  1.000 32.04376  ? 103 T3Y A O6  1 
HETATM 2174 C C8  . T3Y F 3 .  ? 13.24319  -26.13542 8.24163   1.000 28.18895  ? 103 T3Y A C8  1 
HETATM 2175 C C28 . T3Y F 3 .  ? 11.87100  -27.44247 6.78038   1.000 26.23240  ? 103 T3Y A C28 1 
HETATM 2176 O O16 . T3Y F 3 .  ? 11.74167  -28.16109 5.62704   1.000 28.83425  ? 103 T3Y A O16 1 
HETATM 2177 C C9  . T3Y F 3 .  ? 13.11903  -26.86933 7.07386   1.000 25.23774  ? 103 T3Y A C9  1 
HETATM 2178 C C10 . T3Y F 3 .  ? 14.31937  -27.02744 6.15814   1.000 25.31591  ? 103 T3Y A C10 1 
HETATM 2179 C C11 . T3Y F 3 .  ? 14.28048  -26.14170 4.92625   1.000 24.70727  ? 103 T3Y A C11 1 
HETATM 2180 C C12 . T3Y F 3 .  ? 14.76138  -24.83994 4.96448   1.000 25.88837  ? 103 T3Y A C12 1 
HETATM 2181 C C13 . T3Y F 3 .  ? 14.72710  -24.04266 3.83265   1.000 34.88961  ? 103 T3Y A C13 1 
HETATM 2182 S S3  . T3Y F 3 .  ? 15.35504  -22.38745 3.90189   1.000 38.97601  ? 103 T3Y A S3  1 
HETATM 2183 O O7  . T3Y F 3 .  ? 15.93420  -22.21848 5.20938   1.000 53.64004  ? 103 T3Y A O7  1 
HETATM 2184 O O8  . T3Y F 3 .  ? 14.18843  -21.49338 3.72623   1.000 47.17397  ? 103 T3Y A O8  1 
HETATM 2185 O O9  . T3Y F 3 .  ? 16.27255  -22.24575 2.80196   1.000 43.20903  ? 103 T3Y A O9  1 
HETATM 2186 C C14 . T3Y F 3 .  ? 14.19837  -24.52590 2.64794   1.000 29.58482  ? 103 T3Y A C14 1 
HETATM 2187 C C27 . T3Y F 3 .  ? 13.74606  -26.61835 3.72336   1.000 25.77013  ? 103 T3Y A C27 1 
HETATM 2188 O O15 . T3Y F 3 .  ? 13.26824  -27.89475 3.68396   1.000 28.24356  ? 103 T3Y A O15 1 
HETATM 2189 C C15 . T3Y F 3 .  ? 13.70144  -25.82040 2.57410   1.000 26.90785  ? 103 T3Y A C15 1 
HETATM 2190 C C16 . T3Y F 3 .  ? 13.11426  -26.35004 1.28032   1.000 24.26038  ? 103 T3Y A C16 1 
HETATM 2191 C C17 . T3Y F 3 .  ? 11.64018  -25.99544 1.21348   1.000 21.68525  ? 103 T3Y A C17 1 
HETATM 2192 C C18 . T3Y F 3 .  ? 11.23798  -24.85010 0.54200   1.000 27.71856  ? 103 T3Y A C18 1 
HETATM 2193 C C26 . T3Y F 3 .  ? 10.66076  -26.79813 1.81650   1.000 23.36418  ? 103 T3Y A C26 1 
HETATM 2194 O O14 . T3Y F 3 .  ? 11.03430  -27.92925 2.48587   1.000 24.88999  ? 103 T3Y A O14 1 
HETATM 2195 C C21 . T3Y F 3 .  ? 9.30095   -26.45844 1.75336   1.000 25.48702  ? 103 T3Y A C21 1 
HETATM 2196 C C20 . T3Y F 3 .  ? 8.94103   -25.30265 1.07436   1.000 28.67771  ? 103 T3Y A C20 1 
HETATM 2197 C C19 . T3Y F 3 .  ? 9.89903   -24.51500 0.46164   1.000 28.92611  ? 103 T3Y A C19 1 
HETATM 2198 S S4  . T3Y F 3 .  ? 9.41808   -23.04267 -0.39487  1.000 30.67316  ? 103 T3Y A S4  1 
HETATM 2199 O O11 . T3Y F 3 .  ? 10.49744  -22.70210 -1.28332  1.000 33.45703  ? 103 T3Y A O11 1 
HETATM 2200 O O10 . T3Y F 3 .  ? 9.24363   -22.00432 0.64894   1.000 37.92984  ? 103 T3Y A O10 1 
HETATM 2201 O O12 . T3Y F 3 .  ? 8.16279   -23.33042 -1.04217  1.000 31.90879  ? 103 T3Y A O12 1 
HETATM 2202 C C1  . BDF G 2 .  ? -6.92561  6.36807   28.53549  1.000 26.46527  ? 101 BDF B C1  1 
HETATM 2203 C C2  . BDF G 2 .  ? -7.99082  6.23340   27.45853  1.000 26.80253  ? 101 BDF B C2  1 
HETATM 2204 C C3  . BDF G 2 .  ? -8.20330  4.74386   27.16291  1.000 25.30377  ? 101 BDF B C3  1 
HETATM 2205 C C4  . BDF G 2 .  ? -9.11079  4.56095   25.95281  1.000 21.91984  ? 101 BDF B C4  1 
HETATM 2206 C C5  . BDF G 2 .  ? -8.54958  5.32781   24.76333  1.000 22.29238  ? 101 BDF B C5  1 
HETATM 2207 C C6  . BDF G 2 .  ? -8.34287  6.77972   25.14986  1.000 21.40073  ? 101 BDF B C6  1 
HETATM 2208 O O1  . BDF G 2 .  ? -6.54560  7.71097   28.76341  1.000 35.05921  ? 101 BDF B O1  1 
HETATM 2209 O O2  . BDF G 2 .  ? -9.22046  6.79238   27.84904  1.000 22.44379  ? 101 BDF B O2  1 
HETATM 2210 O O3  . BDF G 2 .  ? -8.73886  4.10383   28.31430  1.000 22.19946  ? 101 BDF B O3  1 
HETATM 2211 O O4  . BDF G 2 .  ? -9.23944  3.17225   25.66744  1.000 20.82465  ? 101 BDF B O4  1 
HETATM 2212 O O5  . BDF G 2 .  ? -7.28845  4.79500   24.35278  1.000 21.03799  ? 101 BDF B O5  1 
HETATM 2213 O O6  . BDF G 2 .  ? -7.48622  6.88947   26.29825  1.000 23.97569  ? 101 BDF B O6  1 
HETATM 2214 C C1  . BDF H 2 .  ? -18.05842 5.99356   13.77687  1.000 20.96443  ? 102 BDF B C1  1 
HETATM 2215 C C2  . BDF H 2 .  ? -17.74041 5.81828   12.30255  1.000 24.50911  ? 102 BDF B C2  1 
HETATM 2216 C C3  . BDF H 2 .  ? -17.60324 4.33747   11.92003  1.000 18.05688  ? 102 BDF B C3  1 
HETATM 2217 C C4  . BDF H 2 .  ? -17.08162 4.21080   10.48901  1.000 18.83003  ? 102 BDF B C4  1 
HETATM 2218 C C5  . BDF H 2 .  ? -15.77233 4.97263   10.34538  1.000 20.77444  ? 102 BDF B C5  1 
HETATM 2219 C C6  . BDF H 2 .  ? -15.99432 6.41478   10.75420  1.000 20.78468  ? 102 BDF B C6  1 
HETATM 2220 O O1  . BDF H 2 .  ? -18.32716 7.35330   14.08252  1.000 27.31220  ? 102 BDF B O1  1 
HETATM 2221 O O2  . BDF H 2 .  ? -18.73555 6.38453   11.49913  1.000 21.48645  ? 102 BDF B O2  1 
HETATM 2222 O O3  . BDF H 2 .  ? -18.85788 3.66586   12.02480  1.000 18.88422  ? 102 BDF B O3  1 
HETATM 2223 O O4  . BDF H 2 .  ? -16.92304 2.83669   10.16132  1.000 17.00627  ? 102 BDF B O4  1 
HETATM 2224 O O5  . BDF H 2 .  ? -14.75927 4.41193   11.18245  1.000 19.17574  ? 102 BDF B O5  1 
HETATM 2225 O O6  . BDF H 2 .  ? -16.49848 6.49025   12.09624  1.000 21.61510  ? 102 BDF B O6  1 
HETATM 2226 O O3  . T3Y I 3 .  ? -14.96987 -19.93285 5.16523   1.000 101.34841 ? 301 T3Y C O3  1 
HETATM 2227 S S1  . T3Y I 3 .  ? -14.14140 -20.48029 6.26675   1.000 103.49552 ? 301 T3Y C S1  1 
HETATM 2228 O O1  . T3Y I 3 .  ? -13.50467 -19.42548 7.01228   1.000 78.99328  ? 301 T3Y C O1  1 
HETATM 2229 O O2  . T3Y I 3 .  ? -13.23428 -21.48089 5.76625   1.000 83.71598  ? 301 T3Y C O2  1 
HETATM 2230 C C1  . T3Y I 3 .  ? -15.25519 -21.30123 7.37607   1.000 82.31005  ? 301 T3Y C C1  1 
HETATM 2231 C C24 . T3Y I 3 .  ? -15.42446 -22.67196 7.28482   1.000 73.28835  ? 301 T3Y C C24 1 
HETATM 2232 C C23 . T3Y I 3 .  ? -16.28790 -23.33644 8.14480   1.000 71.28237  ? 301 T3Y C C23 1 
HETATM 2233 C C22 . T3Y I 3 .  ? -16.46892 -24.83903 8.04138   1.000 59.45724  ? 301 T3Y C C22 1 
HETATM 2234 C C2  . T3Y I 3 .  ? -15.94520 -20.57068 8.32965   1.000 79.67241  ? 301 T3Y C C2  1 
HETATM 2235 C C3  . T3Y I 3 .  ? -16.82095 -21.19865 9.20631   1.000 72.11831  ? 301 T3Y C C3  1 
HETATM 2236 C C25 . T3Y I 3 .  ? -16.98271 -22.58666 9.10355   1.000 70.35366  ? 301 T3Y C C25 1 
HETATM 2237 O O13 . T3Y I 3 .  ? -17.83784 -23.21842 9.95865   1.000 64.19992  ? 301 T3Y C O13 1 
HETATM 2238 C C4  . T3Y I 3 .  ? -17.58008 -20.39942 10.25044  1.000 68.42539  ? 301 T3Y C C4  1 
HETATM 2239 C C5  . T3Y I 3 .  ? -16.80169 -20.25373 11.54548  1.000 67.06015  ? 301 T3Y C C5  1 
HETATM 2240 C C6  . T3Y I 3 .  ? -16.14604 -19.06460 11.83226  1.000 67.58374  ? 301 T3Y C C6  1 
HETATM 2241 C C7  . T3Y I 3 .  ? -15.42492 -18.92014 13.00409  1.000 70.72826  ? 301 T3Y C C7  1 
HETATM 2242 S S2  . T3Y I 3 .  ? -14.60313 -17.38694 13.34632  1.000 78.61009  ? 301 T3Y C S2  1 
HETATM 2243 O O4  . T3Y I 3 .  ? -13.33324 -17.72013 13.93768  1.000 67.30075  ? 301 T3Y C O4  1 
HETATM 2244 O O5  . T3Y I 3 .  ? -15.46066 -16.64709 14.30762  1.000 66.11021  ? 301 T3Y C O5  1 
HETATM 2245 O O6  . T3Y I 3 .  ? -14.49058 -16.68323 12.09454  1.000 64.30348  ? 301 T3Y C O6  1 
HETATM 2246 C C8  . T3Y I 3 .  ? -15.34431 -19.96320 13.91081  1.000 66.10715  ? 301 T3Y C C8  1 
HETATM 2247 C C28 . T3Y I 3 .  ? -16.71019 -21.30562 12.46988  1.000 67.22293  ? 301 T3Y C C28 1 
HETATM 2248 O O16 . T3Y I 3 .  ? -17.34067 -22.48849 12.21130  1.000 57.06396  ? 301 T3Y C O16 1 
HETATM 2249 C C9  . T3Y I 3 .  ? -15.98755 -21.16875 13.66426  1.000 60.52509  ? 301 T3Y C C9  1 
HETATM 2250 C C10 . T3Y I 3 .  ? -15.88342 -22.30891 14.66166  1.000 50.13280  ? 301 T3Y C C10 1 
HETATM 2251 C C11 . T3Y I 3 .  ? -14.81922 -23.31054 14.25009  1.000 52.02298  ? 301 T3Y C C11 1 
HETATM 2252 C C12 . T3Y I 3 .  ? -13.48481 -23.08693 14.56134  1.000 50.69087  ? 301 T3Y C C12 1 
HETATM 2253 C C13 . T3Y I 3 .  ? -12.51113 -23.99301 14.17732  1.000 54.82386  ? 301 T3Y C C13 1 
HETATM 2254 S S3  . T3Y I 3 .  ? -10.81436 -23.69571 14.58105  1.000 64.69182  ? 301 T3Y C S3  1 
HETATM 2255 O O7  . T3Y I 3 .  ? -10.76177 -23.38971 15.98745  1.000 50.92282  ? 301 T3Y C O7  1 
HETATM 2256 O O8  . T3Y I 3 .  ? -10.38943 -22.53233 13.76912  1.000 56.12406  ? 301 T3Y C O8  1 
HETATM 2257 O O9  . T3Y I 3 .  ? -10.09084 -24.88208 14.20310  1.000 62.15183  ? 301 T3Y C O9  1 
HETATM 2258 C C14 . T3Y I 3 .  ? -12.84962 -25.13712 13.47820  1.000 52.04901  ? 301 T3Y C C14 1 
HETATM 2259 C C27 . T3Y I 3 .  ? -15.14965 -24.47010 13.53482  1.000 48.65684  ? 301 T3Y C C27 1 
HETATM 2260 O O15 . T3Y I 3 .  ? -16.45738 -24.70123 13.22313  1.000 46.15486  ? 301 T3Y C O15 1 
HETATM 2261 C C15 . T3Y I 3 .  ? -14.17067 -25.39643 13.14684  1.000 48.49582  ? 301 T3Y C C15 1 
HETATM 2262 C C16 . T3Y I 3 .  ? -14.52851 -26.65567 12.38071  1.000 43.92770  ? 301 T3Y C C16 1 
HETATM 2263 C C17 . T3Y I 3 .  ? -14.44768 -26.46242 10.87756  1.000 51.86526  ? 301 T3Y C C17 1 
HETATM 2264 C C18 . T3Y I 3 .  ? -13.37639 -26.97474 10.15655  1.000 51.44482  ? 301 T3Y C C18 1 
HETATM 2265 C C26 . T3Y I 3 .  ? -15.45126 -25.77355 10.18229  1.000 52.17951  ? 301 T3Y C C26 1 
HETATM 2266 O O14 . T3Y I 3 .  ? -16.50323 -25.25458 10.87869  1.000 50.44126  ? 301 T3Y C O14 1 
HETATM 2267 C C21 . T3Y I 3 .  ? -15.38663 -25.59105 8.79375   1.000 55.09557  ? 301 T3Y C C21 1 
HETATM 2268 C C20 . T3Y I 3 .  ? -14.30384 -26.12318 8.10924   1.000 52.02423  ? 301 T3Y C C20 1 
HETATM 2269 C C19 . T3Y I 3 .  ? -13.30617 -26.80428 8.78345   1.000 55.85116  ? 301 T3Y C C19 1 
HETATM 2270 S S4  . T3Y I 3 .  ? -11.95063 -27.48914 7.86936   1.000 85.10620  ? 301 T3Y C S4  1 
HETATM 2271 O O11 . T3Y I 3 .  ? -10.91438 -27.80057 8.82095   1.000 50.42149  ? 301 T3Y C O11 1 
HETATM 2272 O O10 . T3Y I 3 .  ? -12.47281 -28.71906 7.21380   1.000 44.02140  ? 301 T3Y C O10 1 
HETATM 2273 O O12 . T3Y I 3 .  ? -11.58775 -26.51992 6.86796   1.000 70.36868  ? 301 T3Y C O12 1 
HETATM 2274 C C1  . BDF J 2 .  ? -10.97329 5.19043   -3.60082  1.000 20.12297  ? 302 BDF C C1  1 
HETATM 2275 C C2  . BDF J 2 .  ? -9.49754  5.08813   -3.97317  1.000 18.16033  ? 302 BDF C C2  1 
HETATM 2276 C C3  . BDF J 2 .  ? -9.04082  3.62496   -4.03058  1.000 14.83872  ? 302 BDF C C3  1 
HETATM 2277 C C4  . BDF J 2 .  ? -7.53087  3.55309   -4.21551  1.000 16.93836  ? 302 BDF C C4  1 
HETATM 2278 C C5  . BDF J 2 .  ? -6.83602  4.34223   -3.11499  1.000 17.23968  ? 302 BDF C C5  1 
HETATM 2279 C C6  . BDF J 2 .  ? -7.35497  5.76519   -3.11447  1.000 18.84800  ? 302 BDF C C6  1 
HETATM 2280 O O1  . BDF J 2 .  ? -11.42110 6.53520   -3.59780  1.000 29.48896  ? 302 BDF C O1  1 
HETATM 2281 O O2  . BDF J 2 .  ? -9.23620  5.64586   -5.23714  1.000 19.05384  ? 302 BDF C O2  1 
HETATM 2282 O O3  . BDF J 2 .  ? -9.70626  2.94151   -5.08957  1.000 19.13565  ? 302 BDF C O3  1 
HETATM 2283 O O4  . BDF J 2 .  ? -7.14711  2.18428   -4.20942  1.000 18.21657  ? 302 BDF C O4  1 
HETATM 2284 O O5  . BDF J 2 .  ? -7.11004  3.78598   -1.82895  1.000 16.64616  ? 302 BDF C O5  1 
HETATM 2285 O O6  . BDF J 2 .  ? -8.78294  5.78260   -2.95346  1.000 17.72799  ? 302 BDF C O6  1 
HETATM 2286 C C1  . BDF K 2 .  ? 7.47439   6.08674   -6.14480  1.000 19.92557  ? 303 BDF C C1  1 
HETATM 2287 C C2  . BDF K 2 .  ? 8.61156   6.03520   -5.13934  1.000 17.79966  ? 303 BDF C C2  1 
HETATM 2288 C C3  . BDF K 2 .  ? 8.97393   4.58909   -4.78149  1.000 15.57643  ? 303 BDF C C3  1 
HETATM 2289 C C4  . BDF K 2 .  ? 9.97795   4.56374   -3.62710  1.000 17.70453  ? 303 BDF C C4  1 
HETATM 2290 C C5  . BDF K 2 .  ? 9.41267   5.33047   -2.44124  1.000 14.84448  ? 303 BDF C C5  1 
HETATM 2291 C C6  . BDF K 2 .  ? 9.05942   6.73590   -2.88357  1.000 19.27951  ? 303 BDF C C6  1 
HETATM 2292 O O1  . BDF K 2 .  ? 7.23231   7.42060   -6.55570  1.000 30.84613  ? 303 BDF C O1  1 
HETATM 2293 O O2  . BDF K 2 .  ? 9.76091   6.66588   -5.63474  1.000 20.82872  ? 303 BDF C O2  1 
HETATM 2294 O O3  . BDF K 2 .  ? 9.46642   3.90228   -5.92535  1.000 18.47224  ? 303 BDF C O3  1 
HETATM 2295 O O4  . BDF K 2 .  ? 10.25185  3.21791   -3.26266  1.000 15.69142  ? 303 BDF C O4  1 
HETATM 2296 O O5  . BDF K 2 .  ? 8.22244   4.70465   -1.95396  1.000 17.96837  ? 303 BDF C O5  1 
HETATM 2297 O O6  . BDF K 2 .  ? 8.13269   6.71120   -3.97867  1.000 17.33491  ? 303 BDF C O6  1 
HETATM 2298 O O   . HOH L 4 .  ? 15.48342  2.87968   28.67948  1.000 28.97577  ? 201 HOH A O   1 
HETATM 2299 O O   . HOH L 4 .  ? 11.88546  -15.58746 17.57548  1.000 40.87523  ? 202 HOH A O   1 
HETATM 2300 O O   . HOH L 4 .  ? -1.87100  -9.61994  26.36127  1.000 43.39341  ? 203 HOH A O   1 
HETATM 2301 O O   . HOH L 4 .  ? 12.95993  13.15621  5.14448   1.000 36.29635  ? 204 HOH A O   1 
HETATM 2302 O O   . HOH L 4 .  ? 10.92346  6.72041   29.23223  1.000 30.21351  ? 205 HOH A O   1 
HETATM 2303 O O   . HOH L 4 .  ? 11.38717  -24.28135 -3.03514  1.000 29.60872  ? 206 HOH A O   1 
HETATM 2304 O O   . HOH L 4 .  ? 0.66742   -9.89390  11.69331  1.000 33.50804  ? 207 HOH A O   1 
HETATM 2305 O O   . HOH L 4 .  ? 16.37500  -13.11824 9.70596   1.000 42.49485  ? 208 HOH A O   1 
HETATM 2306 O O   . HOH L 4 .  ? 17.97701  7.93628   20.25489  1.000 29.43891  ? 209 HOH A O   1 
HETATM 2307 O O   . HOH L 4 .  ? 17.08846  7.59197   0.28813   1.000 20.13724  ? 210 HOH A O   1 
HETATM 2308 O O   . HOH L 4 .  ? 19.62077  -8.55359  16.48067  1.000 42.39321  ? 211 HOH A O   1 
HETATM 2309 O O   . HOH L 4 .  ? 2.44248   -5.90291  24.39087  1.000 21.59396  ? 212 HOH A O   1 
HETATM 2310 O O   . HOH L 4 .  ? 3.78620   -26.06793 4.01297   1.000 32.88644  ? 213 HOH A O   1 
HETATM 2311 O O   . HOH L 4 .  ? 8.57136   -4.37110  27.91733  1.000 26.71045  ? 214 HOH A O   1 
HETATM 2312 O O   . HOH L 4 .  ? 14.76948  -9.13297  9.10624   1.000 28.03110  ? 215 HOH A O   1 
HETATM 2313 O O   . HOH L 4 .  ? 18.57538  -3.10026  9.86360   1.000 16.66146  ? 216 HOH A O   1 
HETATM 2314 O O   . HOH L 4 .  ? 3.65706   14.46666  5.15435   1.000 29.21456  ? 217 HOH A O   1 
HETATM 2315 O O   . HOH L 4 .  ? 5.11042   -6.49147  18.35013  1.000 19.69797  ? 218 HOH A O   1 
HETATM 2316 O O   . HOH L 4 .  ? 3.31964   -13.20056 7.70650   0.714 30.17044  ? 219 HOH A O   1 
HETATM 2317 O O   . HOH L 4 .  ? 11.26431  -9.26137  20.80686  1.000 30.49620  ? 220 HOH A O   1 
HETATM 2318 O O   . HOH L 4 .  ? 3.28227   5.37623   11.42408  1.000 29.35080  ? 221 HOH A O   1 
HETATM 2319 O O   . HOH L 4 .  ? 12.50768  -3.87404  5.98647   1.000 15.83058  ? 222 HOH A O   1 
HETATM 2320 O O   . HOH L 4 .  ? 10.38070  10.27095  -2.44520  1.000 28.17834  ? 223 HOH A O   1 
HETATM 2321 O O   . HOH L 4 .  ? 15.933    -25.589   12.133    1.000 26.78632  ? 224 HOH A O   1 
HETATM 2322 O O   . HOH L 4 .  ? 2.13252   10.20023  15.27424  1.000 30.68899  ? 225 HOH A O   1 
HETATM 2323 O O   . HOH L 4 .  ? 6.38399   0.40287   32.76454  1.000 23.43431  ? 226 HOH A O   1 
HETATM 2324 O O   . HOH L 4 .  ? 10.63273  -1.04625  29.84003  1.000 23.97839  ? 227 HOH A O   1 
HETATM 2325 O O   . HOH L 4 .  ? 10.23268  -1.82520  26.49280  1.000 22.08464  ? 228 HOH A O   1 
HETATM 2326 O O   . HOH L 4 .  ? 4.06725   -11.37397 13.52327  1.000 29.13423  ? 229 HOH A O   1 
HETATM 2327 O O   . HOH L 4 .  ? 14.83879  -5.35921  6.27727   1.000 26.44418  ? 230 HOH A O   1 
HETATM 2328 O O   . HOH L 4 .  ? 5.22851   10.03520  11.30826  1.000 26.29055  ? 231 HOH A O   1 
HETATM 2329 O O   . HOH L 4 .  ? 21.34389  8.31754   -3.81747  1.000 33.21113  ? 232 HOH A O   1 
HETATM 2330 O O   . HOH L 4 .  ? 23.130    0.832     5.091     1.000 21.61594  ? 233 HOH A O   1 
HETATM 2331 O O   . HOH L 4 .  ? 10.65133  -8.69325  23.35322  1.000 28.23538  ? 234 HOH A O   1 
HETATM 2332 O O   . HOH L 4 .  ? 2.05636   -6.65531  8.85250   1.000 26.07619  ? 235 HOH A O   1 
HETATM 2333 O O   . HOH L 4 .  ? 18.81499  -1.95965  17.02721  1.000 29.82903  ? 236 HOH A O   1 
HETATM 2334 O O   . HOH L 4 .  ? 22.584    9.419     15.627    1.000 41.40764  ? 237 HOH A O   1 
HETATM 2335 O O   . HOH L 4 .  ? 6.66725   -5.85289  29.16947  1.000 29.48056  ? 238 HOH A O   1 
HETATM 2336 O O   . HOH L 4 .  ? 18.68744  0.92423   25.79199  1.000 27.70207  ? 239 HOH A O   1 
HETATM 2337 O O   . HOH L 4 .  ? 15.13732  -29.98545 3.72110   1.000 34.54054  ? 240 HOH A O   1 
HETATM 2338 O O   . HOH L 4 .  ? 20.59604  5.19744   -1.81236  1.000 39.69551  ? 241 HOH A O   1 
HETATM 2339 O O   . HOH L 4 .  ? 13.49323  -6.76623  20.78110  1.000 24.46302  ? 242 HOH A O   1 
HETATM 2340 O O   . HOH L 4 .  ? 21.47499  2.25398   17.75314  1.000 30.98767  ? 243 HOH A O   1 
HETATM 2341 O O   . HOH L 4 .  ? 14.21915  -7.03851  25.17947  1.000 32.62233  ? 244 HOH A O   1 
HETATM 2342 O O   . HOH L 4 .  ? 2.87393   3.11224   11.48772  1.000 35.46926  ? 245 HOH A O   1 
HETATM 2343 O O   . HOH L 4 .  ? 22.10732  -0.33165  2.43539   1.000 24.43667  ? 246 HOH A O   1 
HETATM 2344 O O   . HOH L 4 .  ? 2.38789   -3.81582  12.41957  1.000 28.48803  ? 247 HOH A O   1 
HETATM 2345 O O   . HOH L 4 .  ? 12.193    -30.825   6.671     1.000 36.54085  ? 248 HOH A O   1 
HETATM 2346 O O   . HOH L 4 .  ? 5.44483   -7.27807  27.23808  1.000 28.68957  ? 249 HOH A O   1 
HETATM 2347 O O   . HOH L 4 .  ? 20.998    -0.372    16.641    1.000 29.24051  ? 250 HOH A O   1 
HETATM 2348 O O   . HOH L 4 .  ? 2.74882   -0.06290  10.04179  1.000 15.56944  ? 251 HOH A O   1 
HETATM 2349 O O   . HOH L 4 .  ? 21.66862  5.36318   12.66172  1.000 25.50961  ? 252 HOH A O   1 
HETATM 2350 O O   . HOH L 4 .  ? 12.12947  -6.69753  29.43153  1.000 31.06234  ? 253 HOH A O   1 
HETATM 2351 O O   . HOH L 4 .  ? 24.506    7.433     20.434    1.000 37.16853  ? 254 HOH A O   1 
HETATM 2352 O O   . HOH L 4 .  ? 1.78371   -3.76331  9.96259   1.000 28.94747  ? 255 HOH A O   1 
HETATM 2353 O O   . HOH L 4 .  ? 4.91381   13.95954  8.85950   1.000 26.30533  ? 256 HOH A O   1 
HETATM 2354 O O   . HOH L 4 .  ? 3.09201   7.13093   12.93859  1.000 34.46398  ? 257 HOH A O   1 
HETATM 2355 O O   . HOH L 4 .  ? 21.89777  3.67737   7.98230   1.000 29.49577  ? 258 HOH A O   1 
HETATM 2356 O O   . HOH L 4 .  ? 3.91962   14.27731  13.50555  1.000 32.84044  ? 259 HOH A O   1 
HETATM 2357 O O   . HOH L 4 .  ? 2.77970   -0.98785  12.60277  1.000 16.39243  ? 260 HOH A O   1 
HETATM 2358 O O   . HOH L 4 .  ? 11.23849  -5.73766  27.55675  1.000 31.31850  ? 261 HOH A O   1 
HETATM 2359 O O   . HOH L 4 .  ? 22.40544  7.67597   9.57033   1.000 34.58458  ? 262 HOH A O   1 
HETATM 2360 O O   . HOH L 4 .  ? 14.68655  12.43868  8.77982   1.000 37.24191  ? 263 HOH A O   1 
HETATM 2361 O O   . HOH L 4 .  ? 0.38797   6.99762   14.34951  1.000 34.33586  ? 264 HOH A O   1 
HETATM 2362 O O   . HOH L 4 .  ? 10.40080  14.19893  4.47147   1.000 30.46311  ? 265 HOH A O   1 
HETATM 2363 O O   . HOH L 4 .  ? 10.33327  18.19457  0.54521   1.000 36.69158  ? 266 HOH A O   1 
HETATM 2364 O O   . HOH L 4 .  ? 20.55947  -4.99195  9.59002   1.000 25.03352  ? 267 HOH A O   1 
HETATM 2365 O O   . HOH L 4 .  ? 12.12662  -10.53496 24.74862  1.000 33.60066  ? 268 HOH A O   1 
HETATM 2366 O O   . HOH L 4 .  ? 9.64017   17.24669  5.17242   1.000 40.23550  ? 269 HOH A O   1 
HETATM 2367 O O   . HOH L 4 .  ? 0.71099   -7.27554  11.51119  1.000 21.90747  ? 270 HOH A O   1 
HETATM 2368 O O   . HOH L 4 .  ? 17.76708  10.37665  7.86122   1.000 36.74793  ? 271 HOH A O   1 
HETATM 2369 O O   . HOH L 4 .  ? 6.66207   -21.27375 -3.16125  1.000 41.09324  ? 272 HOH A O   1 
HETATM 2370 O O   . HOH L 4 .  ? 9.40001   -15.14990 9.51154   1.000 41.80632  ? 273 HOH A O   1 
HETATM 2371 O O   . HOH L 4 .  ? 9.414     -21.234   -4.193    1.000 42.51712  ? 274 HOH A O   1 
HETATM 2372 O O   . HOH L 4 .  ? 13.75773  -23.82678 -1.98982  1.000 40.01816  ? 275 HOH A O   1 
HETATM 2373 O O   . HOH L 4 .  ? 13.84230  6.48490   28.99670  1.000 34.43112  ? 276 HOH A O   1 
HETATM 2374 O O   . HOH L 4 .  ? 19.43328  -1.31671  25.28800  1.000 31.27125  ? 277 HOH A O   1 
HETATM 2375 O O   . HOH L 4 .  ? 20.692    9.692     -5.726    1.000 31.81156  ? 278 HOH A O   1 
HETATM 2376 O O   . HOH L 4 .  ? -0.89536  -12.72276 10.00735  1.000 36.91191  ? 279 HOH A O   1 
HETATM 2377 O O   . HOH L 4 .  ? 4.63755   12.71830  11.38891  1.000 34.53510  ? 280 HOH A O   1 
HETATM 2378 O O   . HOH L 4 .  ? 3.21276   12.63261  7.30357   1.000 34.72910  ? 281 HOH A O   1 
HETATM 2379 O O   . HOH L 4 .  ? 20.36982  -1.91963  22.96861  1.000 31.61573  ? 282 HOH A O   1 
HETATM 2380 O O   . HOH L 4 .  ? 10.42309  16.28468  7.81664   1.000 48.83881  ? 283 HOH A O   1 
HETATM 2381 O O   . HOH L 4 .  ? 16.20852  -5.19776  25.95980  1.000 36.20591  ? 284 HOH A O   1 
HETATM 2382 O O   . HOH L 4 .  ? 15.26794  -7.86877  22.76244  1.000 28.53313  ? 285 HOH A O   1 
HETATM 2383 O O   . HOH L 4 .  ? 14.26011  -10.42002 22.76814  1.000 44.16207  ? 286 HOH A O   1 
HETATM 2384 O O   . HOH L 4 .  ? 4.19777   16.67003  8.85275   1.000 43.09673  ? 287 HOH A O   1 
HETATM 2385 O O   . HOH M 4 .  ? -16.47818 6.95159   21.86288  1.000 28.12928  ? 201 HOH B O   1 
HETATM 2386 O O   . HOH M 4 .  ? -1.308    13.655    24.362    1.000 42.20977  ? 202 HOH B O   1 
HETATM 2387 O O   . HOH M 4 .  ? -2.28243  -6.89103  11.68651  1.000 27.03195  ? 203 HOH B O   1 
HETATM 2388 O O   . HOH M 4 .  ? -0.57461  -3.58943  24.57561  1.000 19.85003  ? 204 HOH B O   1 
HETATM 2389 O O   . HOH M 4 .  ? -7.14023  -7.06734  12.09101  1.000 19.51365  ? 205 HOH B O   1 
HETATM 2390 O O   . HOH M 4 .  ? -7.01001  -2.96507  27.96894  1.000 20.94172  ? 206 HOH B O   1 
HETATM 2391 O O   . HOH M 4 .  ? 0.89158   -6.89173  14.18771  1.000 27.45596  ? 207 HOH B O   1 
HETATM 2392 O O   . HOH M 4 .  ? -11.10568 -7.12604  6.82103   1.000 21.90877  ? 208 HOH B O   1 
HETATM 2393 O O   . HOH M 4 .  ? -21.226   -2.683    13.172    1.000 26.61482  ? 209 HOH B O   1 
HETATM 2394 O O   . HOH M 4 .  ? -3.99676  -9.06473  25.28221  1.000 29.80667  ? 210 HOH B O   1 
HETATM 2395 O O   . HOH M 4 .  ? -17.39676 -6.51617  10.18557  1.000 25.54300  ? 211 HOH B O   1 
HETATM 2396 O O   . HOH M 4 .  ? 1.31625   8.70570   30.73197  1.000 19.56064  ? 212 HOH B O   1 
HETATM 2397 O O   . HOH M 4 .  ? -12.28174 -10.21038 16.38813  1.000 30.71714  ? 213 HOH B O   1 
HETATM 2398 O O   . HOH M 4 .  ? -13.95774 15.55041  17.21248  1.000 38.01532  ? 214 HOH B O   1 
HETATM 2399 O O   . HOH M 4 .  ? -1.50380  5.37568   13.41672  1.000 34.51374  ? 215 HOH B O   1 
HETATM 2400 O O   . HOH M 4 .  ? -13.70691 -7.74425  18.25145  1.000 24.60532  ? 216 HOH B O   1 
HETATM 2401 O O   . HOH M 4 .  ? -20.80041 4.69715   10.42155  0.663 18.48104  ? 217 HOH B O   1 
HETATM 2402 O O   . HOH M 4 .  ? -19.65738 -1.58673  5.84401   1.000 17.65062  ? 218 HOH B O   1 
HETATM 2403 O O   . HOH M 4 .  ? -6.51200  14.58288  11.19209  1.000 39.91057  ? 219 HOH B O   1 
HETATM 2404 O O   . HOH M 4 .  ? -1.61850  -15.41792 21.22874  1.000 39.36451  ? 220 HOH B O   1 
HETATM 2405 O O   . HOH M 4 .  ? -2.59191  10.03155  14.99292  1.000 23.88183  ? 221 HOH B O   1 
HETATM 2406 O O   . HOH M 4 .  ? -14.19784 -10.01436 14.39997  1.000 28.76968  ? 222 HOH B O   1 
HETATM 2407 O O   . HOH M 4 .  ? -14.75898 -8.96237  7.99714   1.000 29.54755  ? 223 HOH B O   1 
HETATM 2408 O O   . HOH M 4 .  ? -3.14707  9.87012   31.37152  1.000 32.46828  ? 224 HOH B O   1 
HETATM 2409 O O   . HOH M 4 .  ? -2.45153  -11.85431 13.63039  1.000 38.59132  ? 225 HOH B O   1 
HETATM 2410 O O   . HOH M 4 .  ? 3.90070   3.12984   34.49714  1.000 25.01068  ? 226 HOH B O   1 
HETATM 2411 O O   . HOH M 4 .  ? -5.02240  1.74876   34.18537  1.000 22.18281  ? 227 HOH B O   1 
HETATM 2412 O O   . HOH M 4 .  ? -1.86381  -5.00349  26.64011  1.000 23.62657  ? 228 HOH B O   1 
HETATM 2413 O O   . HOH M 4 .  ? -4.30111  9.92484   10.48744  1.000 25.66932  ? 229 HOH B O   1 
HETATM 2414 O O   . HOH M 4 .  ? 0.36677   17.56209  21.41588  1.000 36.85211  ? 230 HOH B O   1 
HETATM 2415 O O   . HOH M 4 .  ? -13.27550 -2.46510  24.53657  1.000 36.89527  ? 231 HOH B O   1 
HETATM 2416 O O   . HOH M 4 .  ? -17.24159 -3.42368  12.35376  1.000 17.92818  ? 232 HOH B O   1 
HETATM 2417 O O   . HOH M 4 .  ? -11.23760 5.12205   29.23727  1.000 29.38096  ? 233 HOH B O   1 
HETATM 2418 O O   . HOH M 4 .  ? -2.30683  6.18446   10.30640  1.000 32.58706  ? 234 HOH B O   1 
HETATM 2419 O O   . HOH M 4 .  ? -17.36628 5.97448   19.59690  1.000 31.29484  ? 235 HOH B O   1 
HETATM 2420 O O   . HOH M 4 .  ? -21.07601 -0.77800  20.08675  1.000 33.29129  ? 236 HOH B O   1 
HETATM 2421 O O   . HOH M 4 .  ? -13.59532 12.66610  12.30441  1.000 34.45774  ? 237 HOH B O   1 
HETATM 2422 O O   . HOH M 4 .  ? 2.16227   13.17321  16.07142  1.000 36.86891  ? 238 HOH B O   1 
HETATM 2423 O O   . HOH M 4 .  ? -16.17646 -11.31658 5.87194   1.000 42.36682  ? 239 HOH B O   1 
HETATM 2424 O O   . HOH M 4 .  ? 0.60901   -0.44265  34.75638  1.000 31.24980  ? 240 HOH B O   1 
HETATM 2425 O O   . HOH M 4 .  ? 0.62373   -0.09454  14.02087  1.000 15.96524  ? 241 HOH B O   1 
HETATM 2426 O O   . HOH M 4 .  ? -19.39080 9.19206   11.23141  1.000 38.08566  ? 242 HOH B O   1 
HETATM 2427 O O   . HOH M 4 .  ? -0.76977  14.03117  15.68033  1.000 28.08867  ? 243 HOH B O   1 
HETATM 2428 O O   . HOH M 4 .  ? -7.72394  22.67397  19.13793  1.000 41.11231  ? 244 HOH B O   1 
HETATM 2429 O O   . HOH M 4 .  ? -21.29556 -2.97228  10.16166  1.000 26.78169  ? 245 HOH B O   1 
HETATM 2430 O O   . HOH M 4 .  ? 5.283     6.896     35.735    1.000 34.97721  ? 246 HOH B O   1 
HETATM 2431 O O   . HOH M 4 .  ? -17.70444 -8.72513  16.69448  1.000 38.91038  ? 247 HOH B O   1 
HETATM 2432 O O   . HOH M 4 .  ? -4.31871  13.68836  12.74353  1.000 27.47649  ? 248 HOH B O   1 
HETATM 2433 O O   . HOH M 4 .  ? -17.32937 -7.94981  7.86702   1.000 33.53098  ? 249 HOH B O   1 
HETATM 2434 O O   . HOH M 4 .  ? 3.342     0.409     34.032    1.000 37.29886  ? 250 HOH B O   1 
HETATM 2435 O O   . HOH M 4 .  ? -2.26232  0.19965   34.63576  1.000 24.23104  ? 251 HOH B O   1 
HETATM 2436 O O   . HOH M 4 .  ? -10.89294 -13.91502 19.11883  1.000 33.56385  ? 252 HOH B O   1 
HETATM 2437 O O   . HOH M 4 .  ? 5.90910   3.17184   32.59793  1.000 20.11232  ? 253 HOH B O   1 
HETATM 2438 O O   . HOH M 4 .  ? -0.17703  -3.96923  13.23943  1.000 30.53882  ? 254 HOH B O   1 
HETATM 2439 O O   . HOH M 4 .  ? 0.15265   14.62595  22.43928  1.000 30.49946  ? 255 HOH B O   1 
HETATM 2440 O O   . HOH M 4 .  ? -15.257   1.491     26.408    1.000 28.29859  ? 256 HOH B O   1 
HETATM 2441 O O   . HOH M 4 .  ? -17.24935 -8.25901  21.42294  1.000 38.45521  ? 257 HOH B O   1 
HETATM 2442 O O   . HOH M 4 .  ? -1.58004  -1.14724  12.74659  1.000 16.38799  ? 258 HOH B O   1 
HETATM 2443 O O   . HOH M 4 .  ? -20.29355 6.84826   16.42026  1.000 36.04375  ? 259 HOH B O   1 
HETATM 2444 O O   . HOH M 4 .  ? -14.261   -0.798    26.302    1.000 33.94815  ? 260 HOH B O   1 
HETATM 2445 O O   . HOH M 4 .  ? -5.60314  8.84287   31.91506  1.000 40.57879  ? 261 HOH B O   1 
HETATM 2446 O O   . HOH M 4 .  ? -1.67124  9.24390   12.65042  1.000 35.82760  ? 262 HOH B O   1 
HETATM 2447 O O   . HOH M 4 .  ? 1.683     6.017     34.594    1.000 33.21927  ? 263 HOH B O   1 
HETATM 2448 O O   . HOH M 4 .  ? -7.49100  -4.82283  29.90912  1.000 26.84512  ? 264 HOH B O   1 
HETATM 2449 O O   . HOH M 4 .  ? -12.608   -5.814    30.425    1.000 39.76211  ? 265 HOH B O   1 
HETATM 2450 O O   . HOH M 4 .  ? -0.26456  16.85287  15.79547  1.000 40.55885  ? 266 HOH B O   1 
HETATM 2451 O O   . HOH M 4 .  ? 3.25245   4.87690   36.06699  1.000 33.89724  ? 267 HOH B O   1 
HETATM 2452 O O   . HOH M 4 .  ? -21.186   2.400     24.055    1.000 34.33901  ? 268 HOH B O   1 
HETATM 2453 O O   . HOH M 4 .  ? -15.95883 -9.39743  18.61391  1.000 34.55098  ? 269 HOH B O   1 
HETATM 2454 O O   . HOH M 4 .  ? -6.104    24.812    20.185    1.000 37.23762  ? 270 HOH B O   1 
HETATM 2455 O O   . HOH M 4 .  ? -5.10572  16.80961  10.22044  1.000 44.25047  ? 271 HOH B O   1 
HETATM 2456 O O   . HOH M 4 .  ? -2.35307  12.67397  14.13611  1.000 32.25402  ? 272 HOH B O   1 
HETATM 2457 O O   . HOH M 4 .  ? -15.63409 -12.05719 15.24324  1.000 36.69275  ? 273 HOH B O   1 
HETATM 2458 O O   . HOH N 4 .  ? 14.00662  -10.72403 -0.37387  1.000 38.79017  ? 401 HOH C O   1 
HETATM 2459 O O   . HOH N 4 .  ? -1.09136  -4.15222  -10.51278 1.000 40.59226  ? 402 HOH C O   1 
HETATM 2460 O O   . HOH N 4 .  ? 18.41319  -5.29053  -1.19489  1.000 40.39435  ? 403 HOH C O   1 
HETATM 2461 O O   . HOH N 4 .  ? 10.92178  -6.25483  -3.55064  1.000 27.38882  ? 404 HOH C O   1 
HETATM 2462 O O   . HOH N 4 .  ? -1.71186  18.89709  4.36070   1.000 37.46209  ? 405 HOH C O   1 
HETATM 2463 O O   . HOH N 4 .  ? 2.17031   5.33078   8.97151   1.000 28.62006  ? 406 HOH C O   1 
HETATM 2464 O O   . HOH N 4 .  ? 5.90320   -9.62751  -3.02295  1.000 25.75654  ? 407 HOH C O   1 
HETATM 2465 O O   . HOH N 4 .  ? -0.62053  7.03010   -8.57963  1.000 25.31151  ? 408 HOH C O   1 
HETATM 2466 O O   . HOH N 4 .  ? 15.48045  -0.99927  -3.32126  1.000 19.91272  ? 409 HOH C O   1 
HETATM 2467 O O   . HOH N 4 .  ? 3.20734   -10.27739 -2.13632  1.000 27.32289  ? 410 HOH C O   1 
HETATM 2468 O O   . HOH N 4 .  ? 4.30720   -7.02011  4.28734   1.000 16.85679  ? 411 HOH C O   1 
HETATM 2469 O O   . HOH N 4 .  ? -9.76617  -4.26042  -3.17936  1.000 15.53427  ? 412 HOH C O   1 
HETATM 2470 O O   . HOH N 4 .  ? 2.96964   9.84388   7.45986   1.000 23.35282  ? 413 HOH C O   1 
HETATM 2471 O O   . HOH N 4 .  ? 8.51550   -7.30469  -5.99593  1.000 36.13908  ? 414 HOH C O   1 
HETATM 2472 O O   . HOH N 4 .  ? 5.40179   -8.36426  -6.83577  1.000 37.86206  ? 415 HOH C O   1 
HETATM 2473 O O   . HOH N 4 .  ? -0.94272  -4.23519  10.62164  1.000 27.38246  ? 416 HOH C O   1 
HETATM 2474 O O   . HOH N 4 .  ? -11.01063 -6.22730  1.95785   1.000 24.25316  ? 417 HOH C O   1 
HETATM 2475 O O   . HOH N 4 .  ? -0.71583  5.03485   8.63527   1.000 31.58516  ? 418 HOH C O   1 
HETATM 2476 O O   . HOH N 4 .  ? -9.99597  -4.62531  4.06050   1.000 16.25970  ? 419 HOH C O   1 
HETATM 2477 O O   . HOH N 4 .  ? 10.84314  -6.61861  3.60988   1.000 21.29156  ? 420 HOH C O   1 
HETATM 2478 O O   . HOH N 4 .  ? -8.44653  -10.08799 1.01168   1.000 26.53648  ? 421 HOH C O   1 
HETATM 2479 O O   . HOH N 4 .  ? -17.34030 6.86110   2.24317   1.000 19.40347  ? 422 HOH C O   1 
HETATM 2480 O O   . HOH N 4 .  ? 1.02098   -8.36048  -8.78919  1.000 34.05812  ? 423 HOH C O   1 
HETATM 2481 O O   . HOH N 4 .  ? -16.29268 9.90122   8.70891   1.000 36.21867  ? 424 HOH C O   1 
HETATM 2482 O O   . HOH N 4 .  ? -22.49227 7.05863   -0.03689  1.000 30.16828  ? 425 HOH C O   1 
HETATM 2483 O O   . HOH N 4 .  ? 9.62765   -2.84626  -8.29664  1.000 25.80045  ? 426 HOH C O   1 
HETATM 2484 O O   . HOH N 4 .  ? 1.85555   18.78634  3.33030   1.000 38.95992  ? 427 HOH C O   1 
HETATM 2485 O O   . HOH N 4 .  ? -1.77481  9.56141   6.79827   1.000 22.50190  ? 428 HOH C O   1 
HETATM 2486 O O   . HOH N 4 .  ? -4.34262  -3.66708  -7.69178  1.000 34.77813  ? 429 HOH C O   1 
HETATM 2487 O O   . HOH N 4 .  ? -1.38301  2.22115   -12.27929 1.000 26.75331  ? 430 HOH C O   1 
HETATM 2488 O O   . HOH N 4 .  ? 11.93566  -9.44224  3.06295   1.000 39.63494  ? 431 HOH C O   1 
HETATM 2489 O O   . HOH N 4 .  ? 8.86851   -3.08862  -4.48201  1.000 16.21896  ? 432 HOH C O   1 
HETATM 2490 O O   . HOH N 4 .  ? 0.42000   18.26794  -3.76295  1.000 40.26699  ? 433 HOH C O   1 
HETATM 2491 O O   . HOH N 4 .  ? -4.57255  1.07044   -9.70860  1.000 21.34035  ? 434 HOH C O   1 
HETATM 2492 O O   . HOH N 4 .  ? 2.23377   -7.88633  -4.25354  1.000 22.95088  ? 435 HOH C O   1 
HETATM 2493 O O   . HOH N 4 .  ? 0.57383   -14.36794 -1.83763  1.000 32.23569  ? 436 HOH C O   1 
HETATM 2494 O O   . HOH N 4 .  ? -11.04503 -3.59735  -7.02669  1.000 25.82147  ? 437 HOH C O   1 
HETATM 2495 O O   . HOH N 4 .  ? 3.51427   -0.95510  -11.65654 1.000 31.02187  ? 438 HOH C O   1 
HETATM 2496 O O   . HOH N 4 .  ? 11.89033  5.15279   -6.89746  1.000 25.15625  ? 439 HOH C O   1 
HETATM 2497 O O   . HOH N 4 .  ? 13.26940  -7.31676  -2.14993  1.000 32.20131  ? 440 HOH C O   1 
HETATM 2498 O O   . HOH N 4 .  ? -18.00014 -1.66354  -2.71575  1.000 27.77378  ? 441 HOH C O   1 
HETATM 2499 O O   . HOH N 4 .  ? 11.87385  -8.18872  -0.40141  1.000 32.84039  ? 442 HOH C O   1 
HETATM 2500 O O   . HOH N 4 .  ? -20.58974 -3.10966  2.17179   1.000 29.98233  ? 443 HOH C O   1 
HETATM 2501 O O   . HOH N 4 .  ? -5.56334  13.34901  -1.93056  1.000 33.97848  ? 444 HOH C O   1 
HETATM 2502 O O   . HOH N 4 .  ? -3.35608  -13.68984 5.95084   1.000 38.36500  ? 445 HOH C O   1 
HETATM 2503 O O   . HOH N 4 .  ? -8.82758  -14.65678 -0.61183  1.000 40.07440  ? 446 HOH C O   1 
HETATM 2504 O O   . HOH N 4 .  ? -16.60772 7.98951   -0.11459  1.000 28.59703  ? 447 HOH C O   1 
HETATM 2505 O O   . HOH N 4 .  ? -3.86867  13.64279  7.99804   1.000 23.15529  ? 448 HOH C O   1 
HETATM 2506 O O   . HOH N 4 .  ? -12.21045 -5.29593  -0.43321  1.000 31.95196  ? 449 HOH C O   1 
HETATM 2507 O O   . HOH N 4 .  ? -1.68222  -0.36666  10.21301  1.000 16.42603  ? 450 HOH C O   1 
HETATM 2508 O O   . HOH N 4 .  ? -9.17973  4.01354   -7.79955  1.000 25.01475  ? 451 HOH C O   1 
HETATM 2509 O O   . HOH N 4 .  ? -19.65926 -2.52592  -0.23672  1.000 26.13393  ? 452 HOH C O   1 
HETATM 2510 O O   . HOH N 4 .  ? 0.65611   -11.96737 7.85352   1.000 25.64137  ? 453 HOH C O   1 
HETATM 2511 O O   . HOH N 4 .  ? 6.02028   12.70611  -1.58560  1.000 27.87639  ? 454 HOH C O   1 
HETATM 2512 O O   . HOH N 4 .  ? -10.92268 -6.34334  -4.42808  1.000 30.19540  ? 455 HOH C O   1 
HETATM 2513 O O   . HOH N 4 .  ? -2.71444  -15.23286 3.68084   1.000 30.31306  ? 456 HOH C O   1 
HETATM 2514 O O   . HOH N 4 .  ? 0.71748   13.52974  6.48470   1.000 25.51230  ? 457 HOH C O   1 
HETATM 2515 O O   . HOH N 4 .  ? -10.23907 13.56805  5.36408   1.000 27.59653  ? 458 HOH C O   1 
HETATM 2516 O O   . HOH N 4 .  ? 0.53280   -1.15754  8.84680   1.000 16.69474  ? 459 HOH C O   1 
HETATM 2517 O O   . HOH N 4 .  ? 18.785    -2.237    -2.881    1.000 39.30791  ? 460 HOH C O   1 
HETATM 2518 O O   . HOH N 4 .  ? -6.05181  -16.08894 5.62537   1.000 35.99324  ? 461 HOH C O   1 
HETATM 2519 O O   . HOH N 4 .  ? 12.24597  -2.87039  -6.76180  1.000 32.95157  ? 462 HOH C O   1 
HETATM 2520 O O   . HOH N 4 .  ? -0.13439  8.79966   8.63179   1.000 30.02355  ? 463 HOH C O   1 
HETATM 2521 O O   . HOH N 4 .  ? -5.10359  12.77318  9.94468   1.000 31.83830  ? 464 HOH C O   1 
HETATM 2522 O O   . HOH N 4 .  ? -10.35791 -16.10977 0.11028   1.000 42.27053  ? 465 HOH C O   1 
HETATM 2523 O O   . HOH N 4 .  ? -4.79230  -1.56853  -8.96990  1.000 30.42405  ? 466 HOH C O   1 
HETATM 2524 O O   . HOH N 4 .  ? -1.88511  -15.16986 -4.72179  1.000 40.16904  ? 467 HOH C O   1 
HETATM 2525 O O   . HOH N 4 .  ? -11.314   -19.962   1.751     1.000 41.85082  ? 468 HOH C O   1 
HETATM 2526 O O   . HOH N 4 .  ? -10.18634 -13.96270 -5.25546  1.000 46.03369  ? 469 HOH C O   1 
HETATM 2527 O O   . HOH N 4 .  ? -19.46033 -6.03782  1.16295   1.000 42.88651  ? 470 HOH C O   1 
HETATM 2528 O O   . HOH N 4 .  ? -17.66516 14.90423  4.37610   1.000 46.17473  ? 471 HOH C O   1 
HETATM 2529 O O   . HOH N 4 .  ? 22.626    -7.628    -0.197    1.000 40.52289  ? 472 HOH C O   1 
HETATM 2530 O O   . HOH N 4 .  ? -24.20406 8.66109   1.25882   1.000 25.52235  ? 473 HOH C O   1 
HETATM 2531 O O   . HOH N 4 .  ? -14.720   5.226     -5.626    1.000 24.96795  ? 474 HOH C O   1 
HETATM 2532 O O   . HOH N 4 .  ? -4.17726  16.40817  8.01416   1.000 38.17142  ? 475 HOH C O   1 
HETATM 2533 O O   . HOH N 4 .  ? -12.24891 -6.08818  -6.42872  1.000 38.28030  ? 476 HOH C O   1 
HETATM 2534 O O   . HOH N 4 .  ? 6.34972   -11.63573 -4.83646  1.000 33.07391  ? 477 HOH C O   1 
HETATM 2535 O O   . HOH N 4 .  ? 0.92927   -3.78053  -11.86900 1.000 38.32198  ? 478 HOH C O   1 
HETATM 2536 O O   . HOH N 4 .  ? 1.09081   -15.37514 -4.39852  1.000 35.00013  ? 479 HOH C O   1 
HETATM 2537 O O   . HOH N 4 .  ? 2.94159   -9.04707  -6.71317  1.000 27.61413  ? 480 HOH C O   1 
HETATM 2538 O O   . HOH N 4 .  ? -1.48673  12.26436  7.32632   1.000 25.15661  ? 481 HOH C O   1 
HETATM 2539 O O   . HOH N 4 .  ? 7.49819   -11.01505 -6.87798  1.000 40.75560  ? 482 HOH C O   1 
HETATM 2540 O O   . HOH N 4 .  ? 0.60173   16.01333  7.13865   1.000 36.54107  ? 483 HOH C O   1 
HETATM 2541 O O   . HOH N 4 .  ? 2.71208   -14.04418 -5.92704  1.000 39.54487  ? 484 HOH C O   1 
HETATM 2542 O O   . HOH N 4 .  ? 3.64499   -11.92786 -6.14651  1.000 37.41591  ? 485 HOH C O   1 
HETATM 2543 O O   . HOH N 4 .  ? -1.63440  17.85439  6.79166   1.000 41.93005  ? 486 HOH C O   1 
HETATM 2544 O O   . HOH N 4 .  ? -17.00639 16.16226  6.44829   1.000 47.16360  ? 487 HOH C O   1 
HETATM 2545 O O   . HOH N 4 .  ? 4.99046   -15.65794 -5.65538  1.000 45.40540  ? 488 HOH C O   1 
# 
