data_8Z25
# 
_entry.id   8Z25 
# 
_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   8Z25         pdb_00008z25 10.2210/pdb8z25/pdb 
WWPDB D_1300046854 ?            ?                   
# 
_pdbx_audit_revision_history.ordinal             1 
_pdbx_audit_revision_history.data_content_type   'Structure model' 
_pdbx_audit_revision_history.major_revision      1 
_pdbx_audit_revision_history.minor_revision      0 
_pdbx_audit_revision_history.revision_date       2025-03-05 
_pdbx_audit_revision_history.part_number         ? 
# 
_pdbx_audit_revision_details.ordinal             1 
_pdbx_audit_revision_details.revision_ordinal    1 
_pdbx_audit_revision_details.data_content_type   'Structure model' 
_pdbx_audit_revision_details.provider            repository 
_pdbx_audit_revision_details.type                'Initial release' 
_pdbx_audit_revision_details.description         ? 
_pdbx_audit_revision_details.details             ? 
# 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.entry_id                        8Z25 
_pdbx_database_status.recvd_initial_deposition_date   2024-04-12 
_pdbx_database_status.SG_entry                        N 
_pdbx_database_status.deposit_site                    PDBJ 
_pdbx_database_status.process_site                    PDBJ 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.status_code_nmr_data            ? 
_pdbx_database_status.methods_development_category    ? 
_pdbx_database_status.pdb_format_compatible           N 
# 
_pdbx_contact_author.id                 2 
_pdbx_contact_author.email              kaushik.ghosh@bms.com 
_pdbx_contact_author.name_first         Kaushik 
_pdbx_contact_author.name_last          Ghosh 
_pdbx_contact_author.name_mi            ? 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0003-0026-2548 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Amit, K.'   1 ? 
'Swetha, R.' 2 ? 
'Ghosh, K.'  3 ? 
# 
_citation.abstract                  ? 
_citation.abstract_id_CAS           ? 
_citation.book_id_ISBN              ? 
_citation.book_publisher            ? 
_citation.book_publisher_city       ? 
_citation.book_title                ? 
_citation.coordinate_linkage        ? 
_citation.country                   US 
_citation.database_id_Medline       ? 
_citation.details                   ? 
_citation.id                        primary 
_citation.journal_abbrev            J.Med.Chem. 
_citation.journal_id_ASTM           JMCMAR 
_citation.journal_id_CSD            0151 
_citation.journal_id_ISSN           0022-2623 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            67 
_citation.language                  ? 
_citation.page_first                14184 
_citation.page_last                 14199 
_citation.title                     
;Atropisomerism Observed in Galactose-Based Monosaccharide Inhibitors of Galectin-3 Comprising 2-Methyl-4-phenyl-2,4-dihydro-3 H -1,2,4-triazole-3-thione.
;
_citation.year                      2024 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      10.1021/acs.jmedchem.4c01008 
_citation.pdbx_database_id_PubMed   39102502 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Yoon, D.S.'       1  0000-0002-2729-0373 
primary 'Liu, C.'          2  0000-0003-3708-2372 
primary 'Jalagam, P.R.'    3  ?                   
primary 'Feng, J.'         4  ?                   
primary 'Wang, W.'         5  ?                   
primary 'Swidorski, J.J.'  6  ?                   
primary 'Xu, L.'           7  0000-0001-6294-4873 
primary 'Hartz, R.A.'      8  ?                   
primary 'Nair, S.K.'       9  ?                   
primary 'Beno, B.R.'       10 ?                   
primary 'Panda, M.'        11 ?                   
primary 'Ghosh, K.'        12 ?                   
primary 'Kumar, A.'        13 ?                   
primary 'Sale, H.'         14 ?                   
primary 'Shah, D.'         15 ?                   
primary 'Mathur, A.'       16 ?                   
primary 'Ellsworth, B.A.'  17 0000-0002-2788-1819 
primary 'Cheng, D.'        18 ?                   
primary 'Regueiro-Ren, A.' 19 0000-0003-2991-719X 
# 
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 Galectin-3 19347.986 1   ? P106H,Y107M ? ? 
2 non-polymer syn 'MAGNESIUM ION' 24.305    1   ? ?           ? ? 
3 non-polymer syn 
;5-[(2~{S},3~{R},4~{R},5~{R},6~{R})-4-[4-[4-bromanyl-2,3-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]-4-[5-chloranyl-2-(trifluoromethyl)phenyl]-2-methyl-1,2,4-triazole-3-thione
;
697.859   1   ? ?           ? ? 
4 water       nat water 18.015    109 ? ?           ? ? 
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        
;Gal-3,35 kDa lectin,Carbohydrate-binding protein 35,CBP 35,Galactose-specific lectin 3,Galactoside-binding protein,GALBP,IgE-binding protein,L-31,Laminin-binding protein,Lectin L-29,Mac-2 antigen
;
# 
_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       
;GAPAPGVYPGPPSGPGAYPSSGQPSATGAYPATGHMGAPAGPLIVPYNLPLPGGVVPRMLITILGTVKPNANRIALDFQR
GNDVAFHFNPRFNENNRRVIVCNTKLDNNWGREERQSVFPFESGKPFKIQVLVEPDHFKVAVNDAHLLQYNHRVKKLNEI
SKLGISGDIDLTSASYTMI
;
_entity_poly.pdbx_seq_one_letter_code_can   
;GAPAPGVYPGPPSGPGAYPSSGQPSATGAYPATGHMGAPAGPLIVPYNLPLPGGVVPRMLITILGTVKPNANRIALDFQR
GNDVAFHFNPRFNENNRRVIVCNTKLDNNWGREERQSVFPFESGKPFKIQVLVEPDHFKVAVNDAHLLQYNHRVKKLNEI
SKLGISGDIDLTSASYTMI
;
_entity_poly.pdbx_strand_id                 A 
_entity_poly.pdbx_target_identifier         ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
2 'MAGNESIUM ION' MG    
3 
;5-[(2~{S},3~{R},4~{R},5~{R},6~{R})-4-[4-[4-bromanyl-2,3-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]-4-[5-chloranyl-2-(trifluoromethyl)phenyl]-2-methyl-1,2,4-triazole-3-thione
;
A1L0R 
4 water HOH   
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   GLY n 
1 2   ALA n 
1 3   PRO n 
1 4   ALA n 
1 5   PRO n 
1 6   GLY n 
1 7   VAL n 
1 8   TYR n 
1 9   PRO n 
1 10  GLY n 
1 11  PRO n 
1 12  PRO n 
1 13  SER n 
1 14  GLY n 
1 15  PRO n 
1 16  GLY n 
1 17  ALA n 
1 18  TYR n 
1 19  PRO n 
1 20  SER n 
1 21  SER n 
1 22  GLY n 
1 23  GLN n 
1 24  PRO n 
1 25  SER n 
1 26  ALA n 
1 27  THR n 
1 28  GLY n 
1 29  ALA n 
1 30  TYR n 
1 31  PRO n 
1 32  ALA n 
1 33  THR n 
1 34  GLY n 
1 35  HIS n 
1 36  MET n 
1 37  GLY n 
1 38  ALA n 
1 39  PRO n 
1 40  ALA n 
1 41  GLY n 
1 42  PRO n 
1 43  LEU n 
1 44  ILE n 
1 45  VAL n 
1 46  PRO n 
1 47  TYR n 
1 48  ASN n 
1 49  LEU n 
1 50  PRO n 
1 51  LEU n 
1 52  PRO n 
1 53  GLY n 
1 54  GLY n 
1 55  VAL n 
1 56  VAL n 
1 57  PRO n 
1 58  ARG n 
1 59  MET n 
1 60  LEU n 
1 61  ILE n 
1 62  THR n 
1 63  ILE n 
1 64  LEU n 
1 65  GLY n 
1 66  THR n 
1 67  VAL n 
1 68  LYS n 
1 69  PRO n 
1 70  ASN n 
1 71  ALA n 
1 72  ASN n 
1 73  ARG n 
1 74  ILE n 
1 75  ALA n 
1 76  LEU n 
1 77  ASP n 
1 78  PHE n 
1 79  GLN n 
1 80  ARG n 
1 81  GLY n 
1 82  ASN n 
1 83  ASP n 
1 84  VAL n 
1 85  ALA n 
1 86  PHE n 
1 87  HIS n 
1 88  PHE n 
1 89  ASN n 
1 90  PRO n 
1 91  ARG n 
1 92  PHE n 
1 93  ASN n 
1 94  GLU n 
1 95  ASN n 
1 96  ASN n 
1 97  ARG n 
1 98  ARG n 
1 99  VAL n 
1 100 ILE n 
1 101 VAL n 
1 102 CYS n 
1 103 ASN n 
1 104 THR n 
1 105 LYS n 
1 106 LEU n 
1 107 ASP n 
1 108 ASN n 
1 109 ASN n 
1 110 TRP n 
1 111 GLY n 
1 112 ARG n 
1 113 GLU n 
1 114 GLU n 
1 115 ARG n 
1 116 GLN n 
1 117 SER n 
1 118 VAL n 
1 119 PHE n 
1 120 PRO n 
1 121 PHE n 
1 122 GLU n 
1 123 SER n 
1 124 GLY n 
1 125 LYS n 
1 126 PRO n 
1 127 PHE n 
1 128 LYS n 
1 129 ILE n 
1 130 GLN n 
1 131 VAL n 
1 132 LEU n 
1 133 VAL n 
1 134 GLU n 
1 135 PRO n 
1 136 ASP n 
1 137 HIS n 
1 138 PHE n 
1 139 LYS n 
1 140 VAL n 
1 141 ALA n 
1 142 VAL n 
1 143 ASN n 
1 144 ASP n 
1 145 ALA n 
1 146 HIS n 
1 147 LEU n 
1 148 LEU n 
1 149 GLN n 
1 150 TYR n 
1 151 ASN n 
1 152 HIS n 
1 153 ARG n 
1 154 VAL n 
1 155 LYS n 
1 156 LYS n 
1 157 LEU n 
1 158 ASN n 
1 159 GLU n 
1 160 ILE n 
1 161 SER n 
1 162 LYS n 
1 163 LEU n 
1 164 GLY n 
1 165 ILE n 
1 166 SER n 
1 167 GLY n 
1 168 ASP n 
1 169 ILE n 
1 170 ASP n 
1 171 LEU n 
1 172 THR n 
1 173 SER n 
1 174 ALA n 
1 175 SER n 
1 176 TYR n 
1 177 THR n 
1 178 MET n 
1 179 ILE 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                   179 
_entity_src_gen.gene_src_common_name               human 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 'LGALS3, MAC2' 
_entity_src_gen.gene_src_species                   ? 
_entity_src_gen.gene_src_strain                    ? 
_entity_src_gen.gene_src_tissue                    ? 
_entity_src_gen.gene_src_tissue_fraction           ? 
_entity_src_gen.gene_src_details                   ? 
_entity_src_gen.pdbx_gene_src_fragment             ? 
_entity_src_gen.pdbx_gene_src_scientific_name      'Homo sapiens' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     9606 
_entity_src_gen.pdbx_gene_src_variant              ? 
_entity_src_gen.pdbx_gene_src_cell_line            ? 
_entity_src_gen.pdbx_gene_src_atcc                 ? 
_entity_src_gen.pdbx_gene_src_organ                ? 
_entity_src_gen.pdbx_gene_src_organelle            ? 
_entity_src_gen.pdbx_gene_src_cell                 ? 
_entity_src_gen.pdbx_gene_src_cellular_location    ? 
_entity_src_gen.host_org_common_name               ? 
_entity_src_gen.pdbx_host_org_scientific_name      'Escherichia coli BL21' 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     511693 
_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 
A1L0R non-polymer         . 
;5-[(2~{S},3~{R},4~{R},5~{R},6~{R})-4-[4-[4-bromanyl-2,3-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]-4-[5-chloranyl-2-(trifluoromethyl)phenyl]-2-methyl-1,2,4-triazole-3-thione
;
? 'C24 H19 Br Cl F5 N6 O4 S' 697.859 
ALA   'L-peptide linking' y ALANINE ? 'C3 H7 N O2'               89.093  
ARG   'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1'           175.209 
ASN   'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3'              132.118 
ASP   'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4'               133.103 
CYS   'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S'             121.158 
GLN   'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3'             146.144 
GLU   'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4'               147.129 
GLY   'peptide linking'   y GLYCINE ? 'C2 H5 N O2'               75.067  
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 
MG    non-polymer         . 'MAGNESIUM ION' ? 'Mg 2'                     24.305  
PHE   'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2'              165.189 
PRO   'L-peptide linking' y PROLINE ? 'C5 H9 N O2'               115.130 
SER   'L-peptide linking' y SERINE ? 'C3 H7 N O3'               105.093 
THR   'L-peptide linking' y THREONINE ? 'C4 H9 N O3'               119.119 
TRP   'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2'            204.225 
TYR   'L-peptide linking' y TYROSINE ? 'C9 H11 N O3'              181.189 
VAL   'L-peptide linking' y VALINE ? 'C5 H11 N O2'              117.146 
# 
loop_
_pdbx_poly_seq_scheme.asym_id 
_pdbx_poly_seq_scheme.entity_id 
_pdbx_poly_seq_scheme.seq_id 
_pdbx_poly_seq_scheme.mon_id 
_pdbx_poly_seq_scheme.ndb_seq_num 
_pdbx_poly_seq_scheme.pdb_seq_num 
_pdbx_poly_seq_scheme.auth_seq_num 
_pdbx_poly_seq_scheme.pdb_mon_id 
_pdbx_poly_seq_scheme.auth_mon_id 
_pdbx_poly_seq_scheme.pdb_strand_id 
_pdbx_poly_seq_scheme.pdb_ins_code 
_pdbx_poly_seq_scheme.hetero 
A 1 1   GLY 1   72  ?   ?   ?   A . n 
A 1 2   ALA 2   73  ?   ?   ?   A . n 
A 1 3   PRO 3   74  ?   ?   ?   A . n 
A 1 4   ALA 4   75  ?   ?   ?   A . n 
A 1 5   PRO 5   76  ?   ?   ?   A . n 
A 1 6   GLY 6   77  ?   ?   ?   A . n 
A 1 7   VAL 7   78  ?   ?   ?   A . n 
A 1 8   TYR 8   79  ?   ?   ?   A . n 
A 1 9   PRO 9   80  ?   ?   ?   A . n 
A 1 10  GLY 10  81  ?   ?   ?   A . n 
A 1 11  PRO 11  82  ?   ?   ?   A . n 
A 1 12  PRO 12  83  ?   ?   ?   A . n 
A 1 13  SER 13  84  ?   ?   ?   A . n 
A 1 14  GLY 14  85  ?   ?   ?   A . n 
A 1 15  PRO 15  86  ?   ?   ?   A . n 
A 1 16  GLY 16  87  ?   ?   ?   A . n 
A 1 17  ALA 17  88  ?   ?   ?   A . n 
A 1 18  TYR 18  89  ?   ?   ?   A . n 
A 1 19  PRO 19  90  ?   ?   ?   A . n 
A 1 20  SER 20  91  ?   ?   ?   A . n 
A 1 21  SER 21  92  ?   ?   ?   A . n 
A 1 22  GLY 22  93  ?   ?   ?   A . n 
A 1 23  GLN 23  94  ?   ?   ?   A . n 
A 1 24  PRO 24  95  ?   ?   ?   A . n 
A 1 25  SER 25  96  ?   ?   ?   A . n 
A 1 26  ALA 26  97  ?   ?   ?   A . n 
A 1 27  THR 27  98  ?   ?   ?   A . n 
A 1 28  GLY 28  99  ?   ?   ?   A . n 
A 1 29  ALA 29  100 ?   ?   ?   A . n 
A 1 30  TYR 30  101 ?   ?   ?   A . n 
A 1 31  PRO 31  102 ?   ?   ?   A . n 
A 1 32  ALA 32  103 ?   ?   ?   A . n 
A 1 33  THR 33  104 ?   ?   ?   A . n 
A 1 34  GLY 34  105 ?   ?   ?   A . n 
A 1 35  HIS 35  106 ?   ?   ?   A . n 
A 1 36  MET 36  107 ?   ?   ?   A . n 
A 1 37  GLY 37  108 ?   ?   ?   A . n 
A 1 38  ALA 38  109 ?   ?   ?   A . n 
A 1 39  PRO 39  110 ?   ?   ?   A . n 
A 1 40  ALA 40  111 ?   ?   ?   A . n 
A 1 41  GLY 41  112 ?   ?   ?   A . n 
A 1 42  PRO 42  113 113 PRO PRO A . n 
A 1 43  LEU 43  114 114 LEU LEU A . n 
A 1 44  ILE 44  115 115 ILE ILE A . n 
A 1 45  VAL 45  116 116 VAL VAL A . n 
A 1 46  PRO 46  117 117 PRO PRO A . n 
A 1 47  TYR 47  118 118 TYR TYR A . n 
A 1 48  ASN 48  119 119 ASN ASN A . n 
A 1 49  LEU 49  120 120 LEU LEU A . n 
A 1 50  PRO 50  121 121 PRO PRO A . n 
A 1 51  LEU 51  122 122 LEU LEU A . n 
A 1 52  PRO 52  123 123 PRO PRO A . n 
A 1 53  GLY 53  124 124 GLY GLY A . n 
A 1 54  GLY 54  125 125 GLY GLY A . n 
A 1 55  VAL 55  126 126 VAL VAL A . n 
A 1 56  VAL 56  127 127 VAL VAL A . n 
A 1 57  PRO 57  128 128 PRO PRO A . n 
A 1 58  ARG 58  129 129 ARG ARG A . n 
A 1 59  MET 59  130 130 MET MET A . n 
A 1 60  LEU 60  131 131 LEU LEU A . n 
A 1 61  ILE 61  132 132 ILE ILE A . n 
A 1 62  THR 62  133 133 THR THR A . n 
A 1 63  ILE 63  134 134 ILE ILE A . n 
A 1 64  LEU 64  135 135 LEU LEU A . n 
A 1 65  GLY 65  136 136 GLY GLY A . n 
A 1 66  THR 66  137 137 THR THR A . n 
A 1 67  VAL 67  138 138 VAL VAL A . n 
A 1 68  LYS 68  139 139 LYS LYS A . n 
A 1 69  PRO 69  140 140 PRO PRO A . n 
A 1 70  ASN 70  141 141 ASN ASN A . n 
A 1 71  ALA 71  142 142 ALA ALA A . n 
A 1 72  ASN 72  143 143 ASN ASN A . n 
A 1 73  ARG 73  144 144 ARG ARG A . n 
A 1 74  ILE 74  145 145 ILE ILE A . n 
A 1 75  ALA 75  146 146 ALA ALA A . n 
A 1 76  LEU 76  147 147 LEU LEU A . n 
A 1 77  ASP 77  148 148 ASP ASP A . n 
A 1 78  PHE 78  149 149 PHE PHE A . n 
A 1 79  GLN 79  150 150 GLN GLN A . n 
A 1 80  ARG 80  151 151 ARG ARG A . n 
A 1 81  GLY 81  152 152 GLY GLY A . n 
A 1 82  ASN 82  153 153 ASN ASN A . n 
A 1 83  ASP 83  154 154 ASP ASP A . n 
A 1 84  VAL 84  155 155 VAL VAL A . n 
A 1 85  ALA 85  156 156 ALA ALA A . n 
A 1 86  PHE 86  157 157 PHE PHE A . n 
A 1 87  HIS 87  158 158 HIS HIS A . n 
A 1 88  PHE 88  159 159 PHE PHE A . n 
A 1 89  ASN 89  160 160 ASN ASN A . n 
A 1 90  PRO 90  161 161 PRO PRO A . n 
A 1 91  ARG 91  162 162 ARG ARG A . n 
A 1 92  PHE 92  163 163 PHE PHE A . n 
A 1 93  ASN 93  164 164 ASN ASN A . n 
A 1 94  GLU 94  165 165 GLU GLU A . n 
A 1 95  ASN 95  166 166 ASN ASN A . n 
A 1 96  ASN 96  167 167 ASN ASN A . n 
A 1 97  ARG 97  168 168 ARG ARG A . n 
A 1 98  ARG 98  169 169 ARG ARG A . n 
A 1 99  VAL 99  170 170 VAL VAL A . n 
A 1 100 ILE 100 171 171 ILE ILE A . n 
A 1 101 VAL 101 172 172 VAL VAL A . n 
A 1 102 CYS 102 173 173 CYS CYS A . n 
A 1 103 ASN 103 174 174 ASN ASN A . n 
A 1 104 THR 104 175 175 THR THR A . n 
A 1 105 LYS 105 176 176 LYS LYS A . n 
A 1 106 LEU 106 177 177 LEU LEU A . n 
A 1 107 ASP 107 178 178 ASP ASP A . n 
A 1 108 ASN 108 179 179 ASN ASN A . n 
A 1 109 ASN 109 180 180 ASN ASN A . n 
A 1 110 TRP 110 181 181 TRP TRP A . n 
A 1 111 GLY 111 182 182 GLY GLY A . n 
A 1 112 ARG 112 183 183 ARG ARG A . n 
A 1 113 GLU 113 184 184 GLU GLU A . n 
A 1 114 GLU 114 185 185 GLU GLU A . n 
A 1 115 ARG 115 186 186 ARG ARG A . n 
A 1 116 GLN 116 187 187 GLN GLN A . n 
A 1 117 SER 117 188 188 SER SER A . n 
A 1 118 VAL 118 189 189 VAL VAL A . n 
A 1 119 PHE 119 190 190 PHE PHE A . n 
A 1 120 PRO 120 191 191 PRO PRO A . n 
A 1 121 PHE 121 192 192 PHE PHE A . n 
A 1 122 GLU 122 193 193 GLU GLU A . n 
A 1 123 SER 123 194 194 SER SER A . n 
A 1 124 GLY 124 195 195 GLY GLY A . n 
A 1 125 LYS 125 196 196 LYS LYS A . n 
A 1 126 PRO 126 197 197 PRO PRO A . n 
A 1 127 PHE 127 198 198 PHE PHE A . n 
A 1 128 LYS 128 199 199 LYS LYS A . n 
A 1 129 ILE 129 200 200 ILE ILE A . n 
A 1 130 GLN 130 201 201 GLN GLN A . n 
A 1 131 VAL 131 202 202 VAL VAL A . n 
A 1 132 LEU 132 203 203 LEU LEU A . n 
A 1 133 VAL 133 204 204 VAL VAL A . n 
A 1 134 GLU 134 205 205 GLU GLU A . n 
A 1 135 PRO 135 206 206 PRO PRO A . n 
A 1 136 ASP 136 207 207 ASP ASP A . n 
A 1 137 HIS 137 208 208 HIS HIS A . n 
A 1 138 PHE 138 209 209 PHE PHE A . n 
A 1 139 LYS 139 210 210 LYS LYS A . n 
A 1 140 VAL 140 211 211 VAL VAL A . n 
A 1 141 ALA 141 212 212 ALA ALA A . n 
A 1 142 VAL 142 213 213 VAL VAL A . n 
A 1 143 ASN 143 214 214 ASN ASN A . n 
A 1 144 ASP 144 215 215 ASP ASP A . n 
A 1 145 ALA 145 216 216 ALA ALA A . n 
A 1 146 HIS 146 217 217 HIS HIS A . n 
A 1 147 LEU 147 218 218 LEU LEU A . n 
A 1 148 LEU 148 219 219 LEU LEU A . n 
A 1 149 GLN 149 220 220 GLN GLN A . n 
A 1 150 TYR 150 221 221 TYR TYR A . n 
A 1 151 ASN 151 222 222 ASN ASN A . n 
A 1 152 HIS 152 223 223 HIS HIS A . n 
A 1 153 ARG 153 224 224 ARG ARG A . n 
A 1 154 VAL 154 225 225 VAL VAL A . n 
A 1 155 LYS 155 226 226 LYS LYS A . n 
A 1 156 LYS 156 227 227 LYS LYS A . n 
A 1 157 LEU 157 228 228 LEU LEU A . n 
A 1 158 ASN 158 229 229 ASN ASN A . n 
A 1 159 GLU 159 230 230 GLU GLU A . n 
A 1 160 ILE 160 231 231 ILE ILE A . n 
A 1 161 SER 161 232 232 SER SER A . n 
A 1 162 LYS 162 233 233 LYS LYS A . n 
A 1 163 LEU 163 234 234 LEU LEU A . n 
A 1 164 GLY 164 235 235 GLY GLY A . n 
A 1 165 ILE 165 236 236 ILE ILE A . n 
A 1 166 SER 166 237 237 SER SER A . n 
A 1 167 GLY 167 238 238 GLY GLY A . n 
A 1 168 ASP 168 239 239 ASP ASP A . n 
A 1 169 ILE 169 240 240 ILE ILE A . n 
A 1 170 ASP 170 241 241 ASP ASP A . n 
A 1 171 LEU 171 242 242 LEU LEU A . n 
A 1 172 THR 172 243 243 THR THR A . n 
A 1 173 SER 173 244 244 SER SER A . n 
A 1 174 ALA 174 245 245 ALA ALA A . n 
A 1 175 SER 175 246 246 SER SER A . n 
A 1 176 TYR 176 247 247 TYR TYR A . n 
A 1 177 THR 177 248 248 THR THR A . n 
A 1 178 MET 178 249 249 MET MET A . n 
A 1 179 ILE 179 250 250 ILE ILE A . n 
# 
_pdbx_entity_instance_feature.ordinal        1 
_pdbx_entity_instance_feature.comp_id        A1L0R 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   A1L0R 
_pdbx_entity_instance_feature.auth_asym_id   ? 
_pdbx_entity_instance_feature.auth_seq_num   ? 
_pdbx_entity_instance_feature.feature_type   'SUBJECT OF INVESTIGATION' 
_pdbx_entity_instance_feature.details        ? 
# 
loop_
_pdbx_nonpoly_scheme.asym_id 
_pdbx_nonpoly_scheme.entity_id 
_pdbx_nonpoly_scheme.mon_id 
_pdbx_nonpoly_scheme.ndb_seq_num 
_pdbx_nonpoly_scheme.pdb_seq_num 
_pdbx_nonpoly_scheme.auth_seq_num 
_pdbx_nonpoly_scheme.pdb_mon_id 
_pdbx_nonpoly_scheme.auth_mon_id 
_pdbx_nonpoly_scheme.pdb_strand_id 
_pdbx_nonpoly_scheme.pdb_ins_code 
B 2 MG    1   301 2   MG    MG  A . 
C 3 A1L0R 1   302 1   A1L0R LG1 A . 
D 4 HOH   1   401 103 HOH   HOH A . 
D 4 HOH   2   402 98  HOH   HOH A . 
D 4 HOH   3   403 102 HOH   HOH A . 
D 4 HOH   4   404 64  HOH   HOH A . 
D 4 HOH   5   405 101 HOH   HOH A . 
D 4 HOH   6   406 53  HOH   HOH A . 
D 4 HOH   7   407 12  HOH   HOH A . 
D 4 HOH   8   408 50  HOH   HOH A . 
D 4 HOH   9   409 63  HOH   HOH A . 
D 4 HOH   10  410 33  HOH   HOH A . 
D 4 HOH   11  411 108 HOH   HOH A . 
D 4 HOH   12  412 91  HOH   HOH A . 
D 4 HOH   13  413 11  HOH   HOH A . 
D 4 HOH   14  414 105 HOH   HOH A . 
D 4 HOH   15  415 25  HOH   HOH A . 
D 4 HOH   16  416 27  HOH   HOH A . 
D 4 HOH   17  417 15  HOH   HOH A . 
D 4 HOH   18  418 4   HOH   HOH A . 
D 4 HOH   19  419 31  HOH   HOH A . 
D 4 HOH   20  420 7   HOH   HOH A . 
D 4 HOH   21  421 100 HOH   HOH A . 
D 4 HOH   22  422 74  HOH   HOH A . 
D 4 HOH   23  423 88  HOH   HOH A . 
D 4 HOH   24  424 30  HOH   HOH A . 
D 4 HOH   25  425 29  HOH   HOH A . 
D 4 HOH   26  426 9   HOH   HOH A . 
D 4 HOH   27  427 5   HOH   HOH A . 
D 4 HOH   28  428 81  HOH   HOH A . 
D 4 HOH   29  429 2   HOH   HOH A . 
D 4 HOH   30  430 26  HOH   HOH A . 
D 4 HOH   31  431 57  HOH   HOH A . 
D 4 HOH   32  432 28  HOH   HOH A . 
D 4 HOH   33  433 96  HOH   HOH A . 
D 4 HOH   34  434 35  HOH   HOH A . 
D 4 HOH   35  435 8   HOH   HOH A . 
D 4 HOH   36  436 61  HOH   HOH A . 
D 4 HOH   37  437 17  HOH   HOH A . 
D 4 HOH   38  438 65  HOH   HOH A . 
D 4 HOH   39  439 24  HOH   HOH A . 
D 4 HOH   40  440 90  HOH   HOH A . 
D 4 HOH   41  441 95  HOH   HOH A . 
D 4 HOH   42  442 84  HOH   HOH A . 
D 4 HOH   43  443 79  HOH   HOH A . 
D 4 HOH   44  444 21  HOH   HOH A . 
D 4 HOH   45  445 10  HOH   HOH A . 
D 4 HOH   46  446 34  HOH   HOH A . 
D 4 HOH   47  447 23  HOH   HOH A . 
D 4 HOH   48  448 14  HOH   HOH A . 
D 4 HOH   49  449 66  HOH   HOH A . 
D 4 HOH   50  450 44  HOH   HOH A . 
D 4 HOH   51  451 39  HOH   HOH A . 
D 4 HOH   52  452 47  HOH   HOH A . 
D 4 HOH   53  453 76  HOH   HOH A . 
D 4 HOH   54  454 1   HOH   HOH A . 
D 4 HOH   55  455 36  HOH   HOH A . 
D 4 HOH   56  456 89  HOH   HOH A . 
D 4 HOH   57  457 51  HOH   HOH A . 
D 4 HOH   58  458 40  HOH   HOH A . 
D 4 HOH   59  459 43  HOH   HOH A . 
D 4 HOH   60  460 22  HOH   HOH A . 
D 4 HOH   61  461 49  HOH   HOH A . 
D 4 HOH   62  462 32  HOH   HOH A . 
D 4 HOH   63  463 109 HOH   HOH A . 
D 4 HOH   64  464 75  HOH   HOH A . 
D 4 HOH   65  465 38  HOH   HOH A . 
D 4 HOH   66  466 16  HOH   HOH A . 
D 4 HOH   67  467 3   HOH   HOH A . 
D 4 HOH   68  468 13  HOH   HOH A . 
D 4 HOH   69  469 41  HOH   HOH A . 
D 4 HOH   70  470 107 HOH   HOH A . 
D 4 HOH   71  471 86  HOH   HOH A . 
D 4 HOH   72  472 99  HOH   HOH A . 
D 4 HOH   73  473 62  HOH   HOH A . 
D 4 HOH   74  474 60  HOH   HOH A . 
D 4 HOH   75  475 69  HOH   HOH A . 
D 4 HOH   76  476 80  HOH   HOH A . 
D 4 HOH   77  477 70  HOH   HOH A . 
D 4 HOH   78  478 58  HOH   HOH A . 
D 4 HOH   79  479 55  HOH   HOH A . 
D 4 HOH   80  480 20  HOH   HOH A . 
D 4 HOH   81  481 37  HOH   HOH A . 
D 4 HOH   82  482 73  HOH   HOH A . 
D 4 HOH   83  483 19  HOH   HOH A . 
D 4 HOH   84  484 71  HOH   HOH A . 
D 4 HOH   85  485 82  HOH   HOH A . 
D 4 HOH   86  486 97  HOH   HOH A . 
D 4 HOH   87  487 42  HOH   HOH A . 
D 4 HOH   88  488 68  HOH   HOH A . 
D 4 HOH   89  489 78  HOH   HOH A . 
D 4 HOH   90  490 6   HOH   HOH A . 
D 4 HOH   91  491 77  HOH   HOH A . 
D 4 HOH   92  492 46  HOH   HOH A . 
D 4 HOH   93  493 106 HOH   HOH A . 
D 4 HOH   94  494 93  HOH   HOH A . 
D 4 HOH   95  495 87  HOH   HOH A . 
D 4 HOH   96  496 94  HOH   HOH A . 
D 4 HOH   97  497 67  HOH   HOH A . 
D 4 HOH   98  498 18  HOH   HOH A . 
D 4 HOH   99  499 92  HOH   HOH A . 
D 4 HOH   100 500 45  HOH   HOH A . 
D 4 HOH   101 501 104 HOH   HOH A . 
D 4 HOH   102 502 52  HOH   HOH A . 
D 4 HOH   103 503 72  HOH   HOH A . 
D 4 HOH   104 504 59  HOH   HOH A . 
D 4 HOH   105 505 54  HOH   HOH A . 
D 4 HOH   106 506 85  HOH   HOH A . 
D 4 HOH   107 507 56  HOH   HOH A . 
D 4 HOH   108 508 48  HOH   HOH A . 
D 4 HOH   109 509 83  HOH   HOH A . 
# 
loop_
_pdbx_unobs_or_zero_occ_atoms.id 
_pdbx_unobs_or_zero_occ_atoms.PDB_model_num 
_pdbx_unobs_or_zero_occ_atoms.polymer_flag 
_pdbx_unobs_or_zero_occ_atoms.occupancy_flag 
_pdbx_unobs_or_zero_occ_atoms.auth_asym_id 
_pdbx_unobs_or_zero_occ_atoms.auth_comp_id 
_pdbx_unobs_or_zero_occ_atoms.auth_seq_id 
_pdbx_unobs_or_zero_occ_atoms.PDB_ins_code 
_pdbx_unobs_or_zero_occ_atoms.auth_atom_id 
_pdbx_unobs_or_zero_occ_atoms.label_alt_id 
_pdbx_unobs_or_zero_occ_atoms.label_asym_id 
_pdbx_unobs_or_zero_occ_atoms.label_comp_id 
_pdbx_unobs_or_zero_occ_atoms.label_seq_id 
_pdbx_unobs_or_zero_occ_atoms.label_atom_id 
1 1 Y 1 A ILE 115 ? CD1 ? A ILE 44  CD1 
2 1 Y 1 A LYS 233 ? CE  ? A LYS 162 CE  
3 1 Y 1 A LYS 233 ? NZ  ? A LYS 162 NZ  
# 
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       ? ? ? ? ? ? ? ? ? ? ? BUSTER  ? ? ? 2.11.7 1 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? iMOSFLM ? ? ? .      2 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? Aimless ? ? ? .      3 
? phasing          ? ? ? ? ? ? ? ? ? ? ? PHASER  ? ? ? .      4 
# 
_cell.angle_alpha                  90.00 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   90.00 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  90.00 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     8Z25 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     35.647 
_cell.length_a_esd                 ? 
_cell.length_b                     57.213 
_cell.length_b_esd                 ? 
_cell.length_c                     61.784 
_cell.length_c_esd                 ? 
_cell.volume                       ? 
_cell.volume_esd                   ? 
_cell.Z_PDB                        4 
_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                         8Z25 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                19 
_symmetry.space_group_name_Hall            ? 
_symmetry.space_group_name_H-M             'P 21 21 21' 
_symmetry.pdbx_full_space_group_name_H-M   ? 
# 
_exptl.absorpt_coefficient_mu     ? 
_exptl.absorpt_correction_T_max   ? 
_exptl.absorpt_correction_T_min   ? 
_exptl.absorpt_correction_type    ? 
_exptl.absorpt_process_details    ? 
_exptl.entry_id                   8Z25 
_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             1.63 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          24.45 
_exptl_crystal.description                  ? 
_exptl_crystal.F_000                        ? 
_exptl_crystal.id                           1 
_exptl_crystal.preparation                  ? 
_exptl_crystal.size_max                     ? 
_exptl_crystal.size_mid                     ? 
_exptl_crystal.size_min                     ? 
_exptl_crystal.size_rad                     ? 
_exptl_crystal.colour_lustre                ? 
_exptl_crystal.colour_modifier              ? 
_exptl_crystal.colour_primary               ? 
_exptl_crystal.density_meas                 ? 
_exptl_crystal.density_meas_esd             ? 
_exptl_crystal.density_meas_gt              ? 
_exptl_crystal.density_meas_lt              ? 
_exptl_crystal.density_meas_temp            ? 
_exptl_crystal.density_meas_temp_esd        ? 
_exptl_crystal.density_meas_temp_gt         ? 
_exptl_crystal.density_meas_temp_lt         ? 
_exptl_crystal.pdbx_crystal_image_url       ? 
_exptl_crystal.pdbx_crystal_image_format    ? 
_exptl_crystal.pdbx_mosaicity               ? 
_exptl_crystal.pdbx_mosaicity_esd           ? 
_exptl_crystal.pdbx_mosaic_method           ? 
_exptl_crystal.pdbx_mosaic_block_size       ? 
_exptl_crystal.pdbx_mosaic_block_size_esd   ? 
# 
_exptl_crystal_grow.apparatus       ? 
_exptl_crystal_grow.atmosphere      ? 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.details         ? 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, SITTING DROP' 
_exptl_crystal_grow.method_ref      ? 
_exptl_crystal_grow.pH              ? 
_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    '0.1M TRIS (7.8), NASCN, PEG 6000' 
_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                         'Bruker PHOTON II' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2018-07-13 
_diffrn_detector.pdbx_frequency               ? 
_diffrn_detector.id                           ? 
_diffrn_detector.number_of_axes               ? 
# 
_diffrn_radiation.collimation                      ? 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.filter_edge                      ? 
_diffrn_radiation.inhomogeneity                    ? 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.polarisn_norm                    ? 
_diffrn_radiation.polarisn_ratio                   ? 
_diffrn_radiation.probe                            ? 
_diffrn_radiation.type                             ? 
_diffrn_radiation.xray_symbol                      ? 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   M 
_diffrn_radiation.pdbx_wavelength_list             ? 
_diffrn_radiation.pdbx_wavelength                  ? 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_analyzer                    ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   1.5 
_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                      'SEALED TUBE' 
_diffrn_source.target                      ? 
_diffrn_source.type                        'BRUKER IMUS MICROFOCUS' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        1.5 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   ? 
_diffrn_source.pdbx_synchrotron_site       ? 
# 
_reflns.B_iso_Wilson_estimate                          ? 
_reflns.entry_id                                       8Z25 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.65 
_reflns.d_resolution_low                               27.2 
_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                                     15153 
_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                           95.9 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                1.8 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          6.0 
_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                                ? 
_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                                   0.99 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              ? 
_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                                    1.65 
_reflns_shell.d_res_low                                     1.68 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           ? 
_reflns_shell.number_measured_all                           ? 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             511 
_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                               ? 
_reflns_shell.pdbx_rejects                                  ? 
_reflns_shell.pdbx_ordinal                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  0.7 
_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                                  ? 
_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]                            -14.52650 
_refine.aniso_B[1][2]                            0.00000 
_refine.aniso_B[1][3]                            0.00000 
_refine.aniso_B[2][2]                            8.26170 
_refine.aniso_B[2][3]                            0.00000 
_refine.aniso_B[3][3]                            6.26480 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               17.87 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               0.890 
_refine.correlation_coeff_Fo_to_Fc_free          0.848 
_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                                 8Z25 
_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                            1.72 
_refine.ls_d_res_low                             23.34 
_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                     13441 
_refine.ls_number_reflns_R_free                  675 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    96.2 
_refine.ls_percent_reflns_R_free                 5.020 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.203 
_refine.ls_R_factor_R_free                       0.241 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.201 
_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                    ? 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_R_complete                          ? 
_refine.ls_R_factor_gt                           ? 
_refine.ls_goodness_of_fit_gt                    ? 
_refine.ls_goodness_of_fit_ref                   ? 
_refine.ls_shift_over_su_max                     ? 
_refine.ls_shift_over_su_max_lt                  ? 
_refine.ls_shift_over_su_mean                    ? 
_refine.ls_shift_over_su_mean_lt                 ? 
_refine.pdbx_ls_sigma_I                          ? 
_refine.pdbx_ls_sigma_F                          0.000 
_refine.pdbx_ls_sigma_Fsqd                       ? 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.pdbx_ls_cross_valid_method               THROUGHOUT 
_refine.pdbx_method_to_determine_struct          'MOLECULAR REPLACEMENT' 
_refine.pdbx_starting_model                      ? 
_refine.pdbx_stereochemistry_target_values       ? 
_refine.pdbx_R_Free_selection_details            RANDOM 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_overall_ESU_R                       ? 
_refine.pdbx_overall_ESU_R_Free                  ? 
_refine.pdbx_solvent_vdw_probe_radii             ? 
_refine.pdbx_solvent_ion_probe_radii             ? 
_refine.pdbx_solvent_shrinkage_radii             ? 
_refine.pdbx_real_space_R                        ? 
_refine.pdbx_density_correlation                 ? 
_refine.pdbx_pd_number_of_powder_patterns        ? 
_refine.pdbx_pd_number_of_points                 ? 
_refine.pdbx_pd_meas_number_of_points            ? 
_refine.pdbx_pd_proc_ls_prof_R_factor            ? 
_refine.pdbx_pd_proc_ls_prof_wR_factor           ? 
_refine.pdbx_pd_Marquardt_correlation_coeff      ? 
_refine.pdbx_pd_Fsqrd_R_factor                   ? 
_refine.pdbx_pd_ls_matrix_band_width             ? 
_refine.pdbx_overall_phase_error                 ? 
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI   0.128 
_refine.pdbx_overall_SU_R_free_Blow_DPI          0.133 
_refine.pdbx_overall_SU_R_Blow_DPI               0.145 
_refine.pdbx_TLS_residual_ADP_flag               ? 
_refine.pdbx_diffrn_id                           1 
_refine.overall_SU_B                             ? 
_refine.overall_SU_ML                            ? 
_refine.overall_SU_R_Cruickshank_DPI             0.136 
_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_analyze.entry_id                        8Z25 
_refine_analyze.pdbx_refine_id                  'X-RAY DIFFRACTION' 
_refine_analyze.Luzzati_coordinate_error_free   ? 
_refine_analyze.Luzzati_coordinate_error_obs    0.27 
_refine_analyze.Luzzati_d_res_low_free          ? 
_refine_analyze.Luzzati_d_res_low_obs           ? 
_refine_analyze.Luzzati_sigma_a_free            ? 
_refine_analyze.Luzzati_sigma_a_free_details    ? 
_refine_analyze.Luzzati_sigma_a_obs             ? 
_refine_analyze.Luzzati_sigma_a_obs_details     ? 
_refine_analyze.number_disordered_residues      ? 
_refine_analyze.occupancy_sum_hydrogen          ? 
_refine_analyze.occupancy_sum_non_hydrogen      ? 
_refine_analyze.RG_d_res_high                   ? 
_refine_analyze.RG_d_res_low                    ? 
_refine_analyze.RG_free                         ? 
_refine_analyze.RG_work                         ? 
_refine_analyze.RG_free_work_ratio              ? 
_refine_analyze.pdbx_Luzzati_d_res_high_obs     ? 
# 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.cycle_id                         1 
_refine_hist.details                          ? 
_refine_hist.d_res_high                       1.72 
_refine_hist.d_res_low                        23.34 
_refine_hist.number_atoms_solvent             109 
_refine_hist.number_atoms_total               1257 
_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        1105 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         43 
_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' ? 0.010 ? 1203 ? t_bond_d                  2.00  HARMONIC     
'X-RAY DIFFRACTION' ? 1.15  ? 1659 ? t_angle_deg               2.00  HARMONIC     
'X-RAY DIFFRACTION' ? ?     ? 411  ? t_dihedral_angle_d        2.00  SINUSOIDAL   
'X-RAY DIFFRACTION' ? ?     ? ?    ? t_incorr_chiral_ct        ?     ?            
'X-RAY DIFFRACTION' ? ?     ? ?    ? t_pseud_angle             ?     ?            
'X-RAY DIFFRACTION' ? ?     ? ?    ? t_trig_c_planes           ?     ?            
'X-RAY DIFFRACTION' ? ?     ? 237  ? t_gen_planes              5.00  HARMONIC     
'X-RAY DIFFRACTION' ? ?     ? 1203 ? t_it                      20.00 HARMONIC     
'X-RAY DIFFRACTION' ? ?     ? 1    ? t_nbd                     5.00  SEMIHARMONIC 
'X-RAY DIFFRACTION' ? 4.36  ? ?    ? t_omega_torsion           ?     ?            
'X-RAY DIFFRACTION' ? 16.28 ? ?    ? t_other_torsion           ?     ?            
'X-RAY DIFFRACTION' ? ?     ? ?    ? t_improper_torsion        ?     ?            
'X-RAY DIFFRACTION' ? ?     ? 150  ? t_chiral_improper_torsion 5.00  SEMIHARMONIC 
'X-RAY DIFFRACTION' ? ?     ? ?    ? t_sum_occupancies         ?     ?            
'X-RAY DIFFRACTION' ? ?     ? ?    ? t_utility_distance        ?     ?            
'X-RAY DIFFRACTION' ? ?     ? ?    ? t_utility_angle           ?     ?            
'X-RAY DIFFRACTION' ? ?     ? ?    ? t_utility_torsion         ?     ?            
'X-RAY DIFFRACTION' ? ?     ? 1294 ? t_ideal_dist_contact      4.00  SEMIHARMONIC 
# 
_refine_ls_shell.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_ls_shell.d_res_high                       1.72 
_refine_ls_shell.d_res_low                        1.74 
_refine_ls_shell.number_reflns_all                408 
_refine_ls_shell.number_reflns_obs                ? 
_refine_ls_shell.number_reflns_R_free             ? 
_refine_ls_shell.number_reflns_R_work             386 
_refine_ls_shell.percent_reflns_obs               74.26 
_refine_ls_shell.percent_reflns_R_free            5.39 
_refine_ls_shell.R_factor_all                     0.2938 
_refine_ls_shell.R_factor_obs                     ? 
_refine_ls_shell.R_factor_R_free_error            ? 
_refine_ls_shell.R_factor_R_work                  0.2908 
_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   33 
_refine_ls_shell.pdbx_phase_error                 ? 
_refine_ls_shell.pdbx_fsc_work                    ? 
_refine_ls_shell.pdbx_fsc_free                    ? 
_refine_ls_shell.R_factor_R_free                  0.3610 
# 
_struct.entry_id                     8Z25 
_struct.title                        'Crystal structure of mouse Galectin-3 in complex with small molecule inhibitor' 
_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        8Z25 
_struct_keywords.text            'Fibrosis, Galactose, 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 2 ? 
C N N 3 ? 
D N N 4 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    LEG3_HUMAN 
_struct_ref.pdbx_db_accession          P17931 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;GAPAPGVYPGPPSGPGAYPSSGQPSATGAYPATGPYGAPAGPLIVPYNLPLPGGVVPRMLITILGTVKPNANRIALDFQR
GNDVAFHFNPRFNENNRRVIVCNTKLDNNWGREERQSVFPFESGKPFKIQVLVEPDHFKVAVNDAHLLQYNHRVKKLNEI
SKLGISGDIDLTSASYTMI
;
_struct_ref.pdbx_align_begin           72 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              8Z25 
_struct_ref_seq.pdbx_strand_id                A 
_struct_ref_seq.seq_align_beg                 1 
_struct_ref_seq.pdbx_seq_align_beg_ins_code   ? 
_struct_ref_seq.seq_align_end                 179 
_struct_ref_seq.pdbx_seq_align_end_ins_code   ? 
_struct_ref_seq.pdbx_db_accession             P17931 
_struct_ref_seq.db_align_beg                  72 
_struct_ref_seq.pdbx_db_align_beg_ins_code    ? 
_struct_ref_seq.db_align_end                  250 
_struct_ref_seq.pdbx_db_align_end_ins_code    ? 
_struct_ref_seq.pdbx_auth_seq_align_beg       72 
_struct_ref_seq.pdbx_auth_seq_align_end       250 
# 
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 8Z25 HIS A 35 ? UNP P17931 PRO 106 'engineered mutation' 106 1 
1 8Z25 MET A 36 ? UNP P17931 TYR 107 'engineered mutation' 107 2 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_and_software_defined_assembly 
_pdbx_struct_assembly.method_details       PISA 
_pdbx_struct_assembly.oligomeric_details   monomeric 
_pdbx_struct_assembly.oligomeric_count     1 
# 
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)' 60   ? 
1 MORE         -3   ? 
1 'SSA (A^2)'  7550 ? 
# 
_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 
# 
_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 
# 
_struct_conf.conf_type_id            HELX_P 
_struct_conf.id                      HELX_P1 
_struct_conf.pdbx_PDB_helix_id       AA1 
_struct_conf.beg_label_comp_id       LYS 
_struct_conf.beg_label_asym_id       A 
_struct_conf.beg_label_seq_id        156 
_struct_conf.pdbx_beg_PDB_ins_code   ? 
_struct_conf.end_label_comp_id       ILE 
_struct_conf.end_label_asym_id       A 
_struct_conf.end_label_seq_id        160 
_struct_conf.pdbx_end_PDB_ins_code   ? 
_struct_conf.beg_auth_comp_id        LYS 
_struct_conf.beg_auth_asym_id        A 
_struct_conf.beg_auth_seq_id         227 
_struct_conf.end_auth_comp_id        ILE 
_struct_conf.end_auth_asym_id        A 
_struct_conf.end_auth_seq_id         231 
_struct_conf.pdbx_PDB_helix_class    5 
_struct_conf.details                 ? 
_struct_conf.pdbx_PDB_helix_length   5 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
loop_
_struct_conn.id 
_struct_conn.conn_type_id 
_struct_conn.pdbx_leaving_atom_flag 
_struct_conn.pdbx_PDB_id 
_struct_conn.ptnr1_label_asym_id 
_struct_conn.ptnr1_label_comp_id 
_struct_conn.ptnr1_label_seq_id 
_struct_conn.ptnr1_label_atom_id 
_struct_conn.pdbx_ptnr1_label_alt_id 
_struct_conn.pdbx_ptnr1_PDB_ins_code 
_struct_conn.pdbx_ptnr1_standard_comp_id 
_struct_conn.ptnr1_symmetry 
_struct_conn.ptnr2_label_asym_id 
_struct_conn.ptnr2_label_comp_id 
_struct_conn.ptnr2_label_seq_id 
_struct_conn.ptnr2_label_atom_id 
_struct_conn.pdbx_ptnr2_label_alt_id 
_struct_conn.pdbx_ptnr2_PDB_ins_code 
_struct_conn.ptnr1_auth_asym_id 
_struct_conn.ptnr1_auth_comp_id 
_struct_conn.ptnr1_auth_seq_id 
_struct_conn.ptnr2_auth_asym_id 
_struct_conn.ptnr2_auth_comp_id 
_struct_conn.ptnr2_auth_seq_id 
_struct_conn.ptnr2_symmetry 
_struct_conn.pdbx_ptnr3_label_atom_id 
_struct_conn.pdbx_ptnr3_label_seq_id 
_struct_conn.pdbx_ptnr3_label_comp_id 
_struct_conn.pdbx_ptnr3_label_asym_id 
_struct_conn.pdbx_ptnr3_label_alt_id 
_struct_conn.pdbx_ptnr3_PDB_ins_code 
_struct_conn.details 
_struct_conn.pdbx_dist_value 
_struct_conn.pdbx_value_order 
_struct_conn.pdbx_role 
metalc1 metalc ? ? B MG . MG ? ? ? 1_555 D HOH . O ? ? A MG 301 A HOH 412 3_557 ? ? ? ? ? ? ? 1.935 ? ? 
metalc2 metalc ? ? B MG . MG ? ? ? 1_555 D HOH . O ? ? A MG 301 A HOH 440 3_557 ? ? ? ? ? ? ? 2.014 ? ? 
metalc3 metalc ? ? B MG . MG ? ? ? 1_555 D HOH . O ? ? A MG 301 A HOH 456 2_555 ? ? ? ? ? ? ? 1.990 ? ? 
metalc4 metalc ? ? B MG . MG ? ? ? 1_555 D HOH . O ? ? A MG 301 A HOH 494 1_555 ? ? ? ? ? ? ? 2.018 ? ? 
metalc5 metalc ? ? B MG . MG ? ? ? 1_555 D HOH . O ? ? A MG 301 A HOH 496 3_557 ? ? ? ? ? ? ? 2.308 ? ? 
metalc6 metalc ? ? B MG . MG ? ? ? 1_555 D HOH . O ? ? A MG 301 A HOH 499 3_557 ? ? ? ? ? ? ? 2.149 ? ? 
# 
_struct_conn_type.id          metalc 
_struct_conn_type.criteria    ? 
_struct_conn_type.reference   ? 
# 
loop_
_pdbx_struct_conn_angle.id 
_pdbx_struct_conn_angle.ptnr1_label_atom_id 
_pdbx_struct_conn_angle.ptnr1_label_alt_id 
_pdbx_struct_conn_angle.ptnr1_label_asym_id 
_pdbx_struct_conn_angle.ptnr1_label_comp_id 
_pdbx_struct_conn_angle.ptnr1_label_seq_id 
_pdbx_struct_conn_angle.ptnr1_auth_atom_id 
_pdbx_struct_conn_angle.ptnr1_auth_asym_id 
_pdbx_struct_conn_angle.ptnr1_auth_comp_id 
_pdbx_struct_conn_angle.ptnr1_auth_seq_id 
_pdbx_struct_conn_angle.ptnr1_PDB_ins_code 
_pdbx_struct_conn_angle.ptnr1_symmetry 
_pdbx_struct_conn_angle.ptnr2_label_atom_id 
_pdbx_struct_conn_angle.ptnr2_label_alt_id 
_pdbx_struct_conn_angle.ptnr2_label_asym_id 
_pdbx_struct_conn_angle.ptnr2_label_comp_id 
_pdbx_struct_conn_angle.ptnr2_label_seq_id 
_pdbx_struct_conn_angle.ptnr2_auth_atom_id 
_pdbx_struct_conn_angle.ptnr2_auth_asym_id 
_pdbx_struct_conn_angle.ptnr2_auth_comp_id 
_pdbx_struct_conn_angle.ptnr2_auth_seq_id 
_pdbx_struct_conn_angle.ptnr2_PDB_ins_code 
_pdbx_struct_conn_angle.ptnr2_symmetry 
_pdbx_struct_conn_angle.ptnr3_label_atom_id 
_pdbx_struct_conn_angle.ptnr3_label_alt_id 
_pdbx_struct_conn_angle.ptnr3_label_asym_id 
_pdbx_struct_conn_angle.ptnr3_label_comp_id 
_pdbx_struct_conn_angle.ptnr3_label_seq_id 
_pdbx_struct_conn_angle.ptnr3_auth_atom_id 
_pdbx_struct_conn_angle.ptnr3_auth_asym_id 
_pdbx_struct_conn_angle.ptnr3_auth_comp_id 
_pdbx_struct_conn_angle.ptnr3_auth_seq_id 
_pdbx_struct_conn_angle.ptnr3_PDB_ins_code 
_pdbx_struct_conn_angle.ptnr3_symmetry 
_pdbx_struct_conn_angle.value 
_pdbx_struct_conn_angle.value_esd 
1  O ? D HOH . ? A HOH 412 ? 3_557 MG ? B MG . ? A MG 301 ? 1_555 O ? D HOH . ? A HOH 440 ? 3_557 91.2  ? 
2  O ? D HOH . ? A HOH 412 ? 3_557 MG ? B MG . ? A MG 301 ? 1_555 O ? D HOH . ? A HOH 456 ? 2_555 93.0  ? 
3  O ? D HOH . ? A HOH 440 ? 3_557 MG ? B MG . ? A MG 301 ? 1_555 O ? D HOH . ? A HOH 456 ? 2_555 166.4 ? 
4  O ? D HOH . ? A HOH 412 ? 3_557 MG ? B MG . ? A MG 301 ? 1_555 O ? D HOH . ? A HOH 494 ? 1_555 93.4  ? 
5  O ? D HOH . ? A HOH 440 ? 3_557 MG ? B MG . ? A MG 301 ? 1_555 O ? D HOH . ? A HOH 494 ? 1_555 102.5 ? 
6  O ? D HOH . ? A HOH 456 ? 2_555 MG ? B MG . ? A MG 301 ? 1_555 O ? D HOH . ? A HOH 494 ? 1_555 90.1  ? 
7  O ? D HOH . ? A HOH 412 ? 3_557 MG ? B MG . ? A MG 301 ? 1_555 O ? D HOH . ? A HOH 496 ? 3_557 90.4  ? 
8  O ? D HOH . ? A HOH 440 ? 3_557 MG ? B MG . ? A MG 301 ? 1_555 O ? D HOH . ? A HOH 496 ? 3_557 84.9  ? 
9  O ? D HOH . ? A HOH 456 ? 2_555 MG ? B MG . ? A MG 301 ? 1_555 O ? D HOH . ? A HOH 496 ? 3_557 82.2  ? 
10 O ? D HOH . ? A HOH 494 ? 1_555 MG ? B MG . ? A MG 301 ? 1_555 O ? D HOH . ? A HOH 496 ? 3_557 171.6 ? 
11 O ? D HOH . ? A HOH 412 ? 3_557 MG ? B MG . ? A MG 301 ? 1_555 O ? D HOH . ? A HOH 499 ? 3_557 171.9 ? 
12 O ? D HOH . ? A HOH 440 ? 3_557 MG ? B MG . ? A MG 301 ? 1_555 O ? D HOH . ? A HOH 499 ? 3_557 83.7  ? 
13 O ? D HOH . ? A HOH 456 ? 2_555 MG ? B MG . ? A MG 301 ? 1_555 O ? D HOH . ? A HOH 499 ? 3_557 93.4  ? 
14 O ? D HOH . ? A HOH 494 ? 1_555 MG ? B MG . ? A MG 301 ? 1_555 O ? D HOH . ? A HOH 499 ? 3_557 81.5  ? 
15 O ? D HOH . ? A HOH 496 ? 3_557 MG ? B MG . ? A MG 301 ? 1_555 O ? D HOH . ? A HOH 499 ? 3_557 95.5  ? 
# 
_struct_mon_prot_cis.pdbx_id                1 
_struct_mon_prot_cis.label_comp_id          VAL 
_struct_mon_prot_cis.label_seq_id           45 
_struct_mon_prot_cis.label_asym_id          A 
_struct_mon_prot_cis.label_alt_id           . 
_struct_mon_prot_cis.pdbx_PDB_ins_code      ? 
_struct_mon_prot_cis.auth_comp_id           VAL 
_struct_mon_prot_cis.auth_seq_id            116 
_struct_mon_prot_cis.auth_asym_id           A 
_struct_mon_prot_cis.pdbx_label_comp_id_2   PRO 
_struct_mon_prot_cis.pdbx_label_seq_id_2    46 
_struct_mon_prot_cis.pdbx_label_asym_id_2   A 
_struct_mon_prot_cis.pdbx_PDB_ins_code_2    ? 
_struct_mon_prot_cis.pdbx_auth_comp_id_2    PRO 
_struct_mon_prot_cis.pdbx_auth_seq_id_2     117 
_struct_mon_prot_cis.pdbx_auth_asym_id_2    A 
_struct_mon_prot_cis.pdbx_PDB_model_num     1 
_struct_mon_prot_cis.pdbx_omega_angle       -0.61 
# 
loop_
_struct_sheet.id 
_struct_sheet.type 
_struct_sheet.number_strands 
_struct_sheet.details 
AA1 ? 6 ? 
AA2 ? 6 ? 
AA3 ? 5 ? 
# 
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 
AA1 4 5 ? anti-parallel 
AA1 5 6 ? anti-parallel 
AA2 1 2 ? anti-parallel 
AA2 2 3 ? anti-parallel 
AA2 3 4 ? anti-parallel 
AA2 4 5 ? anti-parallel 
AA2 5 6 ? anti-parallel 
AA3 1 2 ? anti-parallel 
AA3 2 3 ? anti-parallel 
AA3 3 4 ? anti-parallel 
AA3 4 5 ? 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 TYR A 47  ? PRO A 50  ? TYR A 118 PRO A 121 
AA1 2 LYS A 162 ? GLY A 167 ? LYS A 233 GLY A 238 
AA1 3 ILE A 74  ? ARG A 80  ? ILE A 145 ARG A 151 
AA1 4 ASP A 83  ? GLU A 94  ? ASP A 154 GLU A 165 
AA1 5 ARG A 97  ? LEU A 106 ? ARG A 168 LEU A 177 
AA1 6 ASN A 109 ? TRP A 110 ? ASN A 180 TRP A 181 
AA2 1 TYR A 47  ? PRO A 50  ? TYR A 118 PRO A 121 
AA2 2 LYS A 162 ? GLY A 167 ? LYS A 233 GLY A 238 
AA2 3 ILE A 74  ? ARG A 80  ? ILE A 145 ARG A 151 
AA2 4 ASP A 83  ? GLU A 94  ? ASP A 154 GLU A 165 
AA2 5 ARG A 97  ? LEU A 106 ? ARG A 168 LEU A 177 
AA2 6 GLU A 114 ? GLN A 116 ? GLU A 185 GLN A 187 
AA3 1 ALA A 145 ? ASN A 151 ? ALA A 216 ASN A 222 
AA3 2 HIS A 137 ? VAL A 142 ? HIS A 208 VAL A 213 
AA3 3 PRO A 126 ? VAL A 133 ? PRO A 197 VAL A 204 
AA3 4 MET A 59  ? VAL A 67  ? MET A 130 VAL A 138 
AA3 5 ILE A 169 ? MET A 178 ? ILE A 240 MET A 249 
# 
loop_
_pdbx_struct_sheet_hbond.sheet_id 
_pdbx_struct_sheet_hbond.range_id_1 
_pdbx_struct_sheet_hbond.range_id_2 
_pdbx_struct_sheet_hbond.range_1_label_atom_id 
_pdbx_struct_sheet_hbond.range_1_label_comp_id 
_pdbx_struct_sheet_hbond.range_1_label_asym_id 
_pdbx_struct_sheet_hbond.range_1_label_seq_id 
_pdbx_struct_sheet_hbond.range_1_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_1_auth_atom_id 
_pdbx_struct_sheet_hbond.range_1_auth_comp_id 
_pdbx_struct_sheet_hbond.range_1_auth_asym_id 
_pdbx_struct_sheet_hbond.range_1_auth_seq_id 
_pdbx_struct_sheet_hbond.range_2_label_atom_id 
_pdbx_struct_sheet_hbond.range_2_label_comp_id 
_pdbx_struct_sheet_hbond.range_2_label_asym_id 
_pdbx_struct_sheet_hbond.range_2_label_seq_id 
_pdbx_struct_sheet_hbond.range_2_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_2_auth_atom_id 
_pdbx_struct_sheet_hbond.range_2_auth_comp_id 
_pdbx_struct_sheet_hbond.range_2_auth_asym_id 
_pdbx_struct_sheet_hbond.range_2_auth_seq_id 
AA1 1 2 N LEU A 49  ? N LEU A 120 O LEU A 163 ? O LEU A 234 
AA1 2 3 O LYS A 162 ? O LYS A 233 N GLN A 79  ? N GLN A 150 
AA1 3 4 N PHE A 78  ? N PHE A 149 O PHE A 86  ? O PHE A 157 
AA1 4 5 N ARG A 91  ? N ARG A 162 O VAL A 99  ? O VAL A 170 
AA1 5 6 N LEU A 106 ? N LEU A 177 O ASN A 109 ? O ASN A 180 
AA2 1 2 N LEU A 49  ? N LEU A 120 O LEU A 163 ? O LEU A 234 
AA2 2 3 O LYS A 162 ? O LYS A 233 N GLN A 79  ? N GLN A 150 
AA2 3 4 N PHE A 78  ? N PHE A 149 O PHE A 86  ? O PHE A 157 
AA2 4 5 N ARG A 91  ? N ARG A 162 O VAL A 99  ? O VAL A 170 
AA2 5 6 N CYS A 102 ? N CYS A 173 O GLU A 114 ? O GLU A 185 
AA3 1 2 O LEU A 148 ? O LEU A 219 N VAL A 140 ? N VAL A 211 
AA3 2 3 O LYS A 139 ? O LYS A 210 N LEU A 132 ? N LEU A 203 
AA3 3 4 O PHE A 127 ? O PHE A 198 N GLY A 65  ? N GLY A 136 
AA3 4 5 N THR A 62  ? N THR A 133 O SER A 175 ? O SER A 246 
# 
_pdbx_entry_details.entry_id                   8Z25 
_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 
# 
_pdbx_validate_torsion.id              1 
_pdbx_validate_torsion.PDB_model_num   1 
_pdbx_validate_torsion.auth_comp_id    ARG 
_pdbx_validate_torsion.auth_asym_id    A 
_pdbx_validate_torsion.auth_seq_id     129 
_pdbx_validate_torsion.PDB_ins_code    ? 
_pdbx_validate_torsion.label_alt_id    ? 
_pdbx_validate_torsion.phi             80.11 
_pdbx_validate_torsion.psi             10.18 
# 
loop_
_pdbx_unobs_or_zero_occ_residues.id 
_pdbx_unobs_or_zero_occ_residues.PDB_model_num 
_pdbx_unobs_or_zero_occ_residues.polymer_flag 
_pdbx_unobs_or_zero_occ_residues.occupancy_flag 
_pdbx_unobs_or_zero_occ_residues.auth_asym_id 
_pdbx_unobs_or_zero_occ_residues.auth_comp_id 
_pdbx_unobs_or_zero_occ_residues.auth_seq_id 
_pdbx_unobs_or_zero_occ_residues.PDB_ins_code 
_pdbx_unobs_or_zero_occ_residues.label_asym_id 
_pdbx_unobs_or_zero_occ_residues.label_comp_id 
_pdbx_unobs_or_zero_occ_residues.label_seq_id 
1  1 Y 1 A GLY 72  ? A GLY 1  
2  1 Y 1 A ALA 73  ? A ALA 2  
3  1 Y 1 A PRO 74  ? A PRO 3  
4  1 Y 1 A ALA 75  ? A ALA 4  
5  1 Y 1 A PRO 76  ? A PRO 5  
6  1 Y 1 A GLY 77  ? A GLY 6  
7  1 Y 1 A VAL 78  ? A VAL 7  
8  1 Y 1 A TYR 79  ? A TYR 8  
9  1 Y 1 A PRO 80  ? A PRO 9  
10 1 Y 1 A GLY 81  ? A GLY 10 
11 1 Y 1 A PRO 82  ? A PRO 11 
12 1 Y 1 A PRO 83  ? A PRO 12 
13 1 Y 1 A SER 84  ? A SER 13 
14 1 Y 1 A GLY 85  ? A GLY 14 
15 1 Y 1 A PRO 86  ? A PRO 15 
16 1 Y 1 A GLY 87  ? A GLY 16 
17 1 Y 1 A ALA 88  ? A ALA 17 
18 1 Y 1 A TYR 89  ? A TYR 18 
19 1 Y 1 A PRO 90  ? A PRO 19 
20 1 Y 1 A SER 91  ? A SER 20 
21 1 Y 1 A SER 92  ? A SER 21 
22 1 Y 1 A GLY 93  ? A GLY 22 
23 1 Y 1 A GLN 94  ? A GLN 23 
24 1 Y 1 A PRO 95  ? A PRO 24 
25 1 Y 1 A SER 96  ? A SER 25 
26 1 Y 1 A ALA 97  ? A ALA 26 
27 1 Y 1 A THR 98  ? A THR 27 
28 1 Y 1 A GLY 99  ? A GLY 28 
29 1 Y 1 A ALA 100 ? A ALA 29 
30 1 Y 1 A TYR 101 ? A TYR 30 
31 1 Y 1 A PRO 102 ? A PRO 31 
32 1 Y 1 A ALA 103 ? A ALA 32 
33 1 Y 1 A THR 104 ? A THR 33 
34 1 Y 1 A GLY 105 ? A GLY 34 
35 1 Y 1 A HIS 106 ? A HIS 35 
36 1 Y 1 A MET 107 ? A MET 36 
37 1 Y 1 A GLY 108 ? A GLY 37 
38 1 Y 1 A ALA 109 ? A ALA 38 
39 1 Y 1 A PRO 110 ? A PRO 39 
40 1 Y 1 A ALA 111 ? A ALA 40 
41 1 Y 1 A GLY 112 ? A GLY 41 
# 
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 
A1L0R C13  C  Y N 1   
A1L0R C18  C  Y N 2   
A1L0R C17  C  Y N 3   
A1L0R C16  C  N N 4   
A1L0R C15  C  Y N 5   
A1L0R C19  C  Y N 6   
A1L0R C20  C  Y N 7   
A1L0R C21  C  Y N 8   
A1L0R C22  C  Y N 9   
A1L0R C23  C  N N 10  
A1L0R C11  C  Y N 11  
A1L0R C12  C  Y N 12  
A1L0R F4   F  N N 13  
A1L0R F2   F  N N 14  
A1L0R F3   F  N N 15  
A1L0R CL   CL N N 16  
A1L0R N5   N  N N 17  
A1L0R S    S  N N 18  
A1L0R N    N  N N 19  
A1L0R C    C  N N 20  
A1L0R C1   C  N N 21  
A1L0R N1   N  N N 22  
A1L0R C2   C  N S 23  
A1L0R C7   C  N R 24  
A1L0R O3   O  N N 25  
A1L0R C6   C  N R 26  
A1L0R C5   C  N R 27  
A1L0R O2   O  N N 28  
A1L0R C3   C  N R 29  
A1L0R C4   C  N N 30  
A1L0R O1   O  N N 31  
A1L0R O    O  N N 32  
A1L0R N2   N  Y N 33  
A1L0R N4   N  Y N 34  
A1L0R N3   N  Y N 35  
A1L0R C9   C  Y N 36  
A1L0R C8   C  Y N 37  
A1L0R C10  C  Y N 38  
A1L0R C14  C  Y N 39  
A1L0R BR   BR N N 40  
A1L0R F1   F  N N 41  
A1L0R F    F  N N 42  
A1L0R H15  H  N N 43  
A1L0R H16  H  N N 44  
A1L0R H17  H  N N 45  
A1L0R H18  H  N N 46  
A1L0R H7   H  N N 47  
A1L0R H5   H  N N 48  
A1L0R H6   H  N N 49  
A1L0R H    H  N N 50  
A1L0R H4   H  N N 51  
A1L0R H12  H  N N 52  
A1L0R H3   H  N N 53  
A1L0R H2   H  N N 54  
A1L0R H11  H  N N 55  
A1L0R H1   H  N N 56  
A1L0R H9   H  N N 57  
A1L0R H8   H  N N 58  
A1L0R H10  H  N N 59  
A1L0R H13  H  N N 60  
A1L0R H14  H  N N 61  
ALA   N    N  N N 62  
ALA   CA   C  N S 63  
ALA   C    C  N N 64  
ALA   O    O  N N 65  
ALA   CB   C  N N 66  
ALA   OXT  O  N N 67  
ALA   H    H  N N 68  
ALA   H2   H  N N 69  
ALA   HA   H  N N 70  
ALA   HB1  H  N N 71  
ALA   HB2  H  N N 72  
ALA   HB3  H  N N 73  
ALA   HXT  H  N N 74  
ARG   N    N  N N 75  
ARG   CA   C  N S 76  
ARG   C    C  N N 77  
ARG   O    O  N N 78  
ARG   CB   C  N N 79  
ARG   CG   C  N N 80  
ARG   CD   C  N N 81  
ARG   NE   N  N N 82  
ARG   CZ   C  N N 83  
ARG   NH1  N  N N 84  
ARG   NH2  N  N N 85  
ARG   OXT  O  N N 86  
ARG   H    H  N N 87  
ARG   H2   H  N N 88  
ARG   HA   H  N N 89  
ARG   HB2  H  N N 90  
ARG   HB3  H  N N 91  
ARG   HG2  H  N N 92  
ARG   HG3  H  N N 93  
ARG   HD2  H  N N 94  
ARG   HD3  H  N N 95  
ARG   HE   H  N N 96  
ARG   HH11 H  N N 97  
ARG   HH12 H  N N 98  
ARG   HH21 H  N N 99  
ARG   HH22 H  N N 100 
ARG   HXT  H  N N 101 
ASN   N    N  N N 102 
ASN   CA   C  N S 103 
ASN   C    C  N N 104 
ASN   O    O  N N 105 
ASN   CB   C  N N 106 
ASN   CG   C  N N 107 
ASN   OD1  O  N N 108 
ASN   ND2  N  N N 109 
ASN   OXT  O  N N 110 
ASN   H    H  N N 111 
ASN   H2   H  N N 112 
ASN   HA   H  N N 113 
ASN   HB2  H  N N 114 
ASN   HB3  H  N N 115 
ASN   HD21 H  N N 116 
ASN   HD22 H  N N 117 
ASN   HXT  H  N N 118 
ASP   N    N  N N 119 
ASP   CA   C  N S 120 
ASP   C    C  N N 121 
ASP   O    O  N N 122 
ASP   CB   C  N N 123 
ASP   CG   C  N N 124 
ASP   OD1  O  N N 125 
ASP   OD2  O  N N 126 
ASP   OXT  O  N N 127 
ASP   H    H  N N 128 
ASP   H2   H  N N 129 
ASP   HA   H  N N 130 
ASP   HB2  H  N N 131 
ASP   HB3  H  N N 132 
ASP   HD2  H  N N 133 
ASP   HXT  H  N N 134 
CYS   N    N  N N 135 
CYS   CA   C  N R 136 
CYS   C    C  N N 137 
CYS   O    O  N N 138 
CYS   CB   C  N N 139 
CYS   SG   S  N N 140 
CYS   OXT  O  N N 141 
CYS   H    H  N N 142 
CYS   H2   H  N N 143 
CYS   HA   H  N N 144 
CYS   HB2  H  N N 145 
CYS   HB3  H  N N 146 
CYS   HG   H  N N 147 
CYS   HXT  H  N N 148 
GLN   N    N  N N 149 
GLN   CA   C  N S 150 
GLN   C    C  N N 151 
GLN   O    O  N N 152 
GLN   CB   C  N N 153 
GLN   CG   C  N N 154 
GLN   CD   C  N N 155 
GLN   OE1  O  N N 156 
GLN   NE2  N  N N 157 
GLN   OXT  O  N N 158 
GLN   H    H  N N 159 
GLN   H2   H  N N 160 
GLN   HA   H  N N 161 
GLN   HB2  H  N N 162 
GLN   HB3  H  N N 163 
GLN   HG2  H  N N 164 
GLN   HG3  H  N N 165 
GLN   HE21 H  N N 166 
GLN   HE22 H  N N 167 
GLN   HXT  H  N N 168 
GLU   N    N  N N 169 
GLU   CA   C  N S 170 
GLU   C    C  N N 171 
GLU   O    O  N N 172 
GLU   CB   C  N N 173 
GLU   CG   C  N N 174 
GLU   CD   C  N N 175 
GLU   OE1  O  N N 176 
GLU   OE2  O  N N 177 
GLU   OXT  O  N N 178 
GLU   H    H  N N 179 
GLU   H2   H  N N 180 
GLU   HA   H  N N 181 
GLU   HB2  H  N N 182 
GLU   HB3  H  N N 183 
GLU   HG2  H  N N 184 
GLU   HG3  H  N N 185 
GLU   HE2  H  N N 186 
GLU   HXT  H  N N 187 
GLY   N    N  N N 188 
GLY   CA   C  N N 189 
GLY   C    C  N N 190 
GLY   O    O  N N 191 
GLY   OXT  O  N N 192 
GLY   H    H  N N 193 
GLY   H2   H  N N 194 
GLY   HA2  H  N N 195 
GLY   HA3  H  N N 196 
GLY   HXT  H  N N 197 
HIS   N    N  N N 198 
HIS   CA   C  N S 199 
HIS   C    C  N N 200 
HIS   O    O  N N 201 
HIS   CB   C  N N 202 
HIS   CG   C  Y N 203 
HIS   ND1  N  Y N 204 
HIS   CD2  C  Y N 205 
HIS   CE1  C  Y N 206 
HIS   NE2  N  Y N 207 
HIS   OXT  O  N N 208 
HIS   H    H  N N 209 
HIS   H2   H  N N 210 
HIS   HA   H  N N 211 
HIS   HB2  H  N N 212 
HIS   HB3  H  N N 213 
HIS   HD1  H  N N 214 
HIS   HD2  H  N N 215 
HIS   HE1  H  N N 216 
HIS   HE2  H  N N 217 
HIS   HXT  H  N N 218 
HOH   O    O  N N 219 
HOH   H1   H  N N 220 
HOH   H2   H  N N 221 
ILE   N    N  N N 222 
ILE   CA   C  N S 223 
ILE   C    C  N N 224 
ILE   O    O  N N 225 
ILE   CB   C  N S 226 
ILE   CG1  C  N N 227 
ILE   CG2  C  N N 228 
ILE   CD1  C  N N 229 
ILE   OXT  O  N N 230 
ILE   H    H  N N 231 
ILE   H2   H  N N 232 
ILE   HA   H  N N 233 
ILE   HB   H  N N 234 
ILE   HG12 H  N N 235 
ILE   HG13 H  N N 236 
ILE   HG21 H  N N 237 
ILE   HG22 H  N N 238 
ILE   HG23 H  N N 239 
ILE   HD11 H  N N 240 
ILE   HD12 H  N N 241 
ILE   HD13 H  N N 242 
ILE   HXT  H  N N 243 
LEU   N    N  N N 244 
LEU   CA   C  N S 245 
LEU   C    C  N N 246 
LEU   O    O  N N 247 
LEU   CB   C  N N 248 
LEU   CG   C  N N 249 
LEU   CD1  C  N N 250 
LEU   CD2  C  N N 251 
LEU   OXT  O  N N 252 
LEU   H    H  N N 253 
LEU   H2   H  N N 254 
LEU   HA   H  N N 255 
LEU   HB2  H  N N 256 
LEU   HB3  H  N N 257 
LEU   HG   H  N N 258 
LEU   HD11 H  N N 259 
LEU   HD12 H  N N 260 
LEU   HD13 H  N N 261 
LEU   HD21 H  N N 262 
LEU   HD22 H  N N 263 
LEU   HD23 H  N N 264 
LEU   HXT  H  N N 265 
LYS   N    N  N N 266 
LYS   CA   C  N S 267 
LYS   C    C  N N 268 
LYS   O    O  N N 269 
LYS   CB   C  N N 270 
LYS   CG   C  N N 271 
LYS   CD   C  N N 272 
LYS   CE   C  N N 273 
LYS   NZ   N  N N 274 
LYS   OXT  O  N N 275 
LYS   H    H  N N 276 
LYS   H2   H  N N 277 
LYS   HA   H  N N 278 
LYS   HB2  H  N N 279 
LYS   HB3  H  N N 280 
LYS   HG2  H  N N 281 
LYS   HG3  H  N N 282 
LYS   HD2  H  N N 283 
LYS   HD3  H  N N 284 
LYS   HE2  H  N N 285 
LYS   HE3  H  N N 286 
LYS   HZ1  H  N N 287 
LYS   HZ2  H  N N 288 
LYS   HZ3  H  N N 289 
LYS   HXT  H  N N 290 
MET   N    N  N N 291 
MET   CA   C  N S 292 
MET   C    C  N N 293 
MET   O    O  N N 294 
MET   CB   C  N N 295 
MET   CG   C  N N 296 
MET   SD   S  N N 297 
MET   CE   C  N N 298 
MET   OXT  O  N N 299 
MET   H    H  N N 300 
MET   H2   H  N N 301 
MET   HA   H  N N 302 
MET   HB2  H  N N 303 
MET   HB3  H  N N 304 
MET   HG2  H  N N 305 
MET   HG3  H  N N 306 
MET   HE1  H  N N 307 
MET   HE2  H  N N 308 
MET   HE3  H  N N 309 
MET   HXT  H  N N 310 
MG    MG   MG N N 311 
PHE   N    N  N N 312 
PHE   CA   C  N S 313 
PHE   C    C  N N 314 
PHE   O    O  N N 315 
PHE   CB   C  N N 316 
PHE   CG   C  Y N 317 
PHE   CD1  C  Y N 318 
PHE   CD2  C  Y N 319 
PHE   CE1  C  Y N 320 
PHE   CE2  C  Y N 321 
PHE   CZ   C  Y N 322 
PHE   OXT  O  N N 323 
PHE   H    H  N N 324 
PHE   H2   H  N N 325 
PHE   HA   H  N N 326 
PHE   HB2  H  N N 327 
PHE   HB3  H  N N 328 
PHE   HD1  H  N N 329 
PHE   HD2  H  N N 330 
PHE   HE1  H  N N 331 
PHE   HE2  H  N N 332 
PHE   HZ   H  N N 333 
PHE   HXT  H  N N 334 
PRO   N    N  N N 335 
PRO   CA   C  N S 336 
PRO   C    C  N N 337 
PRO   O    O  N N 338 
PRO   CB   C  N N 339 
PRO   CG   C  N N 340 
PRO   CD   C  N N 341 
PRO   OXT  O  N N 342 
PRO   H    H  N N 343 
PRO   HA   H  N N 344 
PRO   HB2  H  N N 345 
PRO   HB3  H  N N 346 
PRO   HG2  H  N N 347 
PRO   HG3  H  N N 348 
PRO   HD2  H  N N 349 
PRO   HD3  H  N N 350 
PRO   HXT  H  N N 351 
SER   N    N  N N 352 
SER   CA   C  N S 353 
SER   C    C  N N 354 
SER   O    O  N N 355 
SER   CB   C  N N 356 
SER   OG   O  N N 357 
SER   OXT  O  N N 358 
SER   H    H  N N 359 
SER   H2   H  N N 360 
SER   HA   H  N N 361 
SER   HB2  H  N N 362 
SER   HB3  H  N N 363 
SER   HG   H  N N 364 
SER   HXT  H  N N 365 
THR   N    N  N N 366 
THR   CA   C  N S 367 
THR   C    C  N N 368 
THR   O    O  N N 369 
THR   CB   C  N R 370 
THR   OG1  O  N N 371 
THR   CG2  C  N N 372 
THR   OXT  O  N N 373 
THR   H    H  N N 374 
THR   H2   H  N N 375 
THR   HA   H  N N 376 
THR   HB   H  N N 377 
THR   HG1  H  N N 378 
THR   HG21 H  N N 379 
THR   HG22 H  N N 380 
THR   HG23 H  N N 381 
THR   HXT  H  N N 382 
TRP   N    N  N N 383 
TRP   CA   C  N S 384 
TRP   C    C  N N 385 
TRP   O    O  N N 386 
TRP   CB   C  N N 387 
TRP   CG   C  Y N 388 
TRP   CD1  C  Y N 389 
TRP   CD2  C  Y N 390 
TRP   NE1  N  Y N 391 
TRP   CE2  C  Y N 392 
TRP   CE3  C  Y N 393 
TRP   CZ2  C  Y N 394 
TRP   CZ3  C  Y N 395 
TRP   CH2  C  Y N 396 
TRP   OXT  O  N N 397 
TRP   H    H  N N 398 
TRP   H2   H  N N 399 
TRP   HA   H  N N 400 
TRP   HB2  H  N N 401 
TRP   HB3  H  N N 402 
TRP   HD1  H  N N 403 
TRP   HE1  H  N N 404 
TRP   HE3  H  N N 405 
TRP   HZ2  H  N N 406 
TRP   HZ3  H  N N 407 
TRP   HH2  H  N N 408 
TRP   HXT  H  N N 409 
TYR   N    N  N N 410 
TYR   CA   C  N S 411 
TYR   C    C  N N 412 
TYR   O    O  N N 413 
TYR   CB   C  N N 414 
TYR   CG   C  Y N 415 
TYR   CD1  C  Y N 416 
TYR   CD2  C  Y N 417 
TYR   CE1  C  Y N 418 
TYR   CE2  C  Y N 419 
TYR   CZ   C  Y N 420 
TYR   OH   O  N N 421 
TYR   OXT  O  N N 422 
TYR   H    H  N N 423 
TYR   H2   H  N N 424 
TYR   HA   H  N N 425 
TYR   HB2  H  N N 426 
TYR   HB3  H  N N 427 
TYR   HD1  H  N N 428 
TYR   HD2  H  N N 429 
TYR   HE1  H  N N 430 
TYR   HE2  H  N N 431 
TYR   HH   H  N N 432 
TYR   HXT  H  N N 433 
VAL   N    N  N N 434 
VAL   CA   C  N S 435 
VAL   C    C  N N 436 
VAL   O    O  N N 437 
VAL   CB   C  N N 438 
VAL   CG1  C  N N 439 
VAL   CG2  C  N N 440 
VAL   OXT  O  N N 441 
VAL   H    H  N N 442 
VAL   H2   H  N N 443 
VAL   HA   H  N N 444 
VAL   HB   H  N N 445 
VAL   HG11 H  N N 446 
VAL   HG12 H  N N 447 
VAL   HG13 H  N N 448 
VAL   HG21 H  N N 449 
VAL   HG22 H  N N 450 
VAL   HG23 H  N N 451 
VAL   HXT  H  N N 452 
# 
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 
A1L0R F3  C23  sing N N 1   
A1L0R C23 F4   sing N N 2   
A1L0R C23 F2   sing N N 3   
A1L0R C23 C18  sing N N 4   
A1L0R C19 C20  doub Y N 5   
A1L0R C19 C18  sing Y N 6   
A1L0R C20 C21  sing Y N 7   
A1L0R C18 C17  doub Y N 8   
A1L0R C21 C22  doub Y N 9   
A1L0R C21 CL   sing N N 10  
A1L0R C17 C22  sing Y N 11  
A1L0R C17 N5   sing N N 12  
A1L0R N4  N3   doub Y N 13  
A1L0R N4  N2   sing Y N 14  
A1L0R O3  C7   sing N N 15  
A1L0R N3  C9   sing Y N 16  
A1L0R N5  C1   sing N N 17  
A1L0R N5  C16  sing N N 18  
A1L0R S   C16  doub N N 19  
A1L0R C2  C7   sing N N 20  
A1L0R C2  C1   sing N N 21  
A1L0R C2  O    sing N N 22  
A1L0R C6  N2   sing N N 23  
A1L0R C6  C7   sing N N 24  
A1L0R C6  C5   sing N N 25  
A1L0R N2  C8   sing Y N 26  
A1L0R C1  N1   doub N N 27  
A1L0R C16 N    sing N N 28  
A1L0R C15 C14  doub Y N 29  
A1L0R C15 C10  sing Y N 30  
A1L0R C9  C8   doub Y N 31  
A1L0R C9  C10  sing N N 32  
A1L0R C3  O    sing N N 33  
A1L0R C3  C5   sing N N 34  
A1L0R C3  C4   sing N N 35  
A1L0R N1  N    sing N N 36  
A1L0R N   C    sing N N 37  
A1L0R C14 C13  sing Y N 38  
A1L0R C5  O2   sing N N 39  
A1L0R C10 C11  doub Y N 40  
A1L0R O1  C4   sing N N 41  
A1L0R C13 BR   sing N N 42  
A1L0R C13 C12  doub Y N 43  
A1L0R C11 C12  sing Y N 44  
A1L0R C11 F    sing N N 45  
A1L0R C12 F1   sing N N 46  
A1L0R C15 H15  sing N N 47  
A1L0R C19 H16  sing N N 48  
A1L0R C20 H17  sing N N 49  
A1L0R C22 H18  sing N N 50  
A1L0R C   H7   sing N N 51  
A1L0R C   H5   sing N N 52  
A1L0R C   H6   sing N N 53  
A1L0R C2  H    sing N N 54  
A1L0R C7  H4   sing N N 55  
A1L0R O3  H12  sing N N 56  
A1L0R C6  H3   sing N N 57  
A1L0R C5  H2   sing N N 58  
A1L0R O2  H11  sing N N 59  
A1L0R C3  H1   sing N N 60  
A1L0R C4  H9   sing N N 61  
A1L0R C4  H8   sing N N 62  
A1L0R O1  H10  sing N N 63  
A1L0R C8  H13  sing N N 64  
A1L0R C14 H14  sing N N 65  
ALA   N   CA   sing N N 66  
ALA   N   H    sing N N 67  
ALA   N   H2   sing N N 68  
ALA   CA  C    sing N N 69  
ALA   CA  CB   sing N N 70  
ALA   CA  HA   sing N N 71  
ALA   C   O    doub N N 72  
ALA   C   OXT  sing N N 73  
ALA   CB  HB1  sing N N 74  
ALA   CB  HB2  sing N N 75  
ALA   CB  HB3  sing N N 76  
ALA   OXT HXT  sing N N 77  
ARG   N   CA   sing N N 78  
ARG   N   H    sing N N 79  
ARG   N   H2   sing N N 80  
ARG   CA  C    sing N N 81  
ARG   CA  CB   sing N N 82  
ARG   CA  HA   sing N N 83  
ARG   C   O    doub N N 84  
ARG   C   OXT  sing N N 85  
ARG   CB  CG   sing N N 86  
ARG   CB  HB2  sing N N 87  
ARG   CB  HB3  sing N N 88  
ARG   CG  CD   sing N N 89  
ARG   CG  HG2  sing N N 90  
ARG   CG  HG3  sing N N 91  
ARG   CD  NE   sing N N 92  
ARG   CD  HD2  sing N N 93  
ARG   CD  HD3  sing N N 94  
ARG   NE  CZ   sing N N 95  
ARG   NE  HE   sing N N 96  
ARG   CZ  NH1  sing N N 97  
ARG   CZ  NH2  doub N N 98  
ARG   NH1 HH11 sing N N 99  
ARG   NH1 HH12 sing N N 100 
ARG   NH2 HH21 sing N N 101 
ARG   NH2 HH22 sing N N 102 
ARG   OXT HXT  sing N N 103 
ASN   N   CA   sing N N 104 
ASN   N   H    sing N N 105 
ASN   N   H2   sing N N 106 
ASN   CA  C    sing N N 107 
ASN   CA  CB   sing N N 108 
ASN   CA  HA   sing N N 109 
ASN   C   O    doub N N 110 
ASN   C   OXT  sing N N 111 
ASN   CB  CG   sing N N 112 
ASN   CB  HB2  sing N N 113 
ASN   CB  HB3  sing N N 114 
ASN   CG  OD1  doub N N 115 
ASN   CG  ND2  sing N N 116 
ASN   ND2 HD21 sing N N 117 
ASN   ND2 HD22 sing N N 118 
ASN   OXT HXT  sing N N 119 
ASP   N   CA   sing N N 120 
ASP   N   H    sing N N 121 
ASP   N   H2   sing N N 122 
ASP   CA  C    sing N N 123 
ASP   CA  CB   sing N N 124 
ASP   CA  HA   sing N N 125 
ASP   C   O    doub N N 126 
ASP   C   OXT  sing N N 127 
ASP   CB  CG   sing N N 128 
ASP   CB  HB2  sing N N 129 
ASP   CB  HB3  sing N N 130 
ASP   CG  OD1  doub N N 131 
ASP   CG  OD2  sing N N 132 
ASP   OD2 HD2  sing N N 133 
ASP   OXT HXT  sing N N 134 
CYS   N   CA   sing N N 135 
CYS   N   H    sing N N 136 
CYS   N   H2   sing N N 137 
CYS   CA  C    sing N N 138 
CYS   CA  CB   sing N N 139 
CYS   CA  HA   sing N N 140 
CYS   C   O    doub N N 141 
CYS   C   OXT  sing N N 142 
CYS   CB  SG   sing N N 143 
CYS   CB  HB2  sing N N 144 
CYS   CB  HB3  sing N N 145 
CYS   SG  HG   sing N N 146 
CYS   OXT HXT  sing N N 147 
GLN   N   CA   sing N N 148 
GLN   N   H    sing N N 149 
GLN   N   H2   sing N N 150 
GLN   CA  C    sing N N 151 
GLN   CA  CB   sing N N 152 
GLN   CA  HA   sing N N 153 
GLN   C   O    doub N N 154 
GLN   C   OXT  sing N N 155 
GLN   CB  CG   sing N N 156 
GLN   CB  HB2  sing N N 157 
GLN   CB  HB3  sing N N 158 
GLN   CG  CD   sing N N 159 
GLN   CG  HG2  sing N N 160 
GLN   CG  HG3  sing N N 161 
GLN   CD  OE1  doub N N 162 
GLN   CD  NE2  sing N N 163 
GLN   NE2 HE21 sing N N 164 
GLN   NE2 HE22 sing N N 165 
GLN   OXT HXT  sing N N 166 
GLU   N   CA   sing N N 167 
GLU   N   H    sing N N 168 
GLU   N   H2   sing N N 169 
GLU   CA  C    sing N N 170 
GLU   CA  CB   sing N N 171 
GLU   CA  HA   sing N N 172 
GLU   C   O    doub N N 173 
GLU   C   OXT  sing N N 174 
GLU   CB  CG   sing N N 175 
GLU   CB  HB2  sing N N 176 
GLU   CB  HB3  sing N N 177 
GLU   CG  CD   sing N N 178 
GLU   CG  HG2  sing N N 179 
GLU   CG  HG3  sing N N 180 
GLU   CD  OE1  doub N N 181 
GLU   CD  OE2  sing N N 182 
GLU   OE2 HE2  sing N N 183 
GLU   OXT HXT  sing N N 184 
GLY   N   CA   sing N N 185 
GLY   N   H    sing N N 186 
GLY   N   H2   sing N N 187 
GLY   CA  C    sing N N 188 
GLY   CA  HA2  sing N N 189 
GLY   CA  HA3  sing N N 190 
GLY   C   O    doub N N 191 
GLY   C   OXT  sing N N 192 
GLY   OXT HXT  sing N N 193 
HIS   N   CA   sing N N 194 
HIS   N   H    sing N N 195 
HIS   N   H2   sing N N 196 
HIS   CA  C    sing N N 197 
HIS   CA  CB   sing N N 198 
HIS   CA  HA   sing N N 199 
HIS   C   O    doub N N 200 
HIS   C   OXT  sing N N 201 
HIS   CB  CG   sing N N 202 
HIS   CB  HB2  sing N N 203 
HIS   CB  HB3  sing N N 204 
HIS   CG  ND1  sing Y N 205 
HIS   CG  CD2  doub Y N 206 
HIS   ND1 CE1  doub Y N 207 
HIS   ND1 HD1  sing N N 208 
HIS   CD2 NE2  sing Y N 209 
HIS   CD2 HD2  sing N N 210 
HIS   CE1 NE2  sing Y N 211 
HIS   CE1 HE1  sing N N 212 
HIS   NE2 HE2  sing N N 213 
HIS   OXT HXT  sing N N 214 
HOH   O   H1   sing N N 215 
HOH   O   H2   sing N N 216 
ILE   N   CA   sing N N 217 
ILE   N   H    sing N N 218 
ILE   N   H2   sing N N 219 
ILE   CA  C    sing N N 220 
ILE   CA  CB   sing N N 221 
ILE   CA  HA   sing N N 222 
ILE   C   O    doub N N 223 
ILE   C   OXT  sing N N 224 
ILE   CB  CG1  sing N N 225 
ILE   CB  CG2  sing N N 226 
ILE   CB  HB   sing N N 227 
ILE   CG1 CD1  sing N N 228 
ILE   CG1 HG12 sing N N 229 
ILE   CG1 HG13 sing N N 230 
ILE   CG2 HG21 sing N N 231 
ILE   CG2 HG22 sing N N 232 
ILE   CG2 HG23 sing N N 233 
ILE   CD1 HD11 sing N N 234 
ILE   CD1 HD12 sing N N 235 
ILE   CD1 HD13 sing N N 236 
ILE   OXT HXT  sing N N 237 
LEU   N   CA   sing N N 238 
LEU   N   H    sing N N 239 
LEU   N   H2   sing N N 240 
LEU   CA  C    sing N N 241 
LEU   CA  CB   sing N N 242 
LEU   CA  HA   sing N N 243 
LEU   C   O    doub N N 244 
LEU   C   OXT  sing N N 245 
LEU   CB  CG   sing N N 246 
LEU   CB  HB2  sing N N 247 
LEU   CB  HB3  sing N N 248 
LEU   CG  CD1  sing N N 249 
LEU   CG  CD2  sing N N 250 
LEU   CG  HG   sing N N 251 
LEU   CD1 HD11 sing N N 252 
LEU   CD1 HD12 sing N N 253 
LEU   CD1 HD13 sing N N 254 
LEU   CD2 HD21 sing N N 255 
LEU   CD2 HD22 sing N N 256 
LEU   CD2 HD23 sing N N 257 
LEU   OXT HXT  sing N N 258 
LYS   N   CA   sing N N 259 
LYS   N   H    sing N N 260 
LYS   N   H2   sing N N 261 
LYS   CA  C    sing N N 262 
LYS   CA  CB   sing N N 263 
LYS   CA  HA   sing N N 264 
LYS   C   O    doub N N 265 
LYS   C   OXT  sing N N 266 
LYS   CB  CG   sing N N 267 
LYS   CB  HB2  sing N N 268 
LYS   CB  HB3  sing N N 269 
LYS   CG  CD   sing N N 270 
LYS   CG  HG2  sing N N 271 
LYS   CG  HG3  sing N N 272 
LYS   CD  CE   sing N N 273 
LYS   CD  HD2  sing N N 274 
LYS   CD  HD3  sing N N 275 
LYS   CE  NZ   sing N N 276 
LYS   CE  HE2  sing N N 277 
LYS   CE  HE3  sing N N 278 
LYS   NZ  HZ1  sing N N 279 
LYS   NZ  HZ2  sing N N 280 
LYS   NZ  HZ3  sing N N 281 
LYS   OXT HXT  sing N N 282 
MET   N   CA   sing N N 283 
MET   N   H    sing N N 284 
MET   N   H2   sing N N 285 
MET   CA  C    sing N N 286 
MET   CA  CB   sing N N 287 
MET   CA  HA   sing N N 288 
MET   C   O    doub N N 289 
MET   C   OXT  sing N N 290 
MET   CB  CG   sing N N 291 
MET   CB  HB2  sing N N 292 
MET   CB  HB3  sing N N 293 
MET   CG  SD   sing N N 294 
MET   CG  HG2  sing N N 295 
MET   CG  HG3  sing N N 296 
MET   SD  CE   sing N N 297 
MET   CE  HE1  sing N N 298 
MET   CE  HE2  sing N N 299 
MET   CE  HE3  sing N N 300 
MET   OXT HXT  sing N N 301 
PHE   N   CA   sing N N 302 
PHE   N   H    sing N N 303 
PHE   N   H2   sing N N 304 
PHE   CA  C    sing N N 305 
PHE   CA  CB   sing N N 306 
PHE   CA  HA   sing N N 307 
PHE   C   O    doub N N 308 
PHE   C   OXT  sing N N 309 
PHE   CB  CG   sing N N 310 
PHE   CB  HB2  sing N N 311 
PHE   CB  HB3  sing N N 312 
PHE   CG  CD1  doub Y N 313 
PHE   CG  CD2  sing Y N 314 
PHE   CD1 CE1  sing Y N 315 
PHE   CD1 HD1  sing N N 316 
PHE   CD2 CE2  doub Y N 317 
PHE   CD2 HD2  sing N N 318 
PHE   CE1 CZ   doub Y N 319 
PHE   CE1 HE1  sing N N 320 
PHE   CE2 CZ   sing Y N 321 
PHE   CE2 HE2  sing N N 322 
PHE   CZ  HZ   sing N N 323 
PHE   OXT HXT  sing N N 324 
PRO   N   CA   sing N N 325 
PRO   N   CD   sing N N 326 
PRO   N   H    sing N N 327 
PRO   CA  C    sing N N 328 
PRO   CA  CB   sing N N 329 
PRO   CA  HA   sing N N 330 
PRO   C   O    doub N N 331 
PRO   C   OXT  sing N N 332 
PRO   CB  CG   sing N N 333 
PRO   CB  HB2  sing N N 334 
PRO   CB  HB3  sing N N 335 
PRO   CG  CD   sing N N 336 
PRO   CG  HG2  sing N N 337 
PRO   CG  HG3  sing N N 338 
PRO   CD  HD2  sing N N 339 
PRO   CD  HD3  sing N N 340 
PRO   OXT HXT  sing N N 341 
SER   N   CA   sing N N 342 
SER   N   H    sing N N 343 
SER   N   H2   sing N N 344 
SER   CA  C    sing N N 345 
SER   CA  CB   sing N N 346 
SER   CA  HA   sing N N 347 
SER   C   O    doub N N 348 
SER   C   OXT  sing N N 349 
SER   CB  OG   sing N N 350 
SER   CB  HB2  sing N N 351 
SER   CB  HB3  sing N N 352 
SER   OG  HG   sing N N 353 
SER   OXT HXT  sing N N 354 
THR   N   CA   sing N N 355 
THR   N   H    sing N N 356 
THR   N   H2   sing N N 357 
THR   CA  C    sing N N 358 
THR   CA  CB   sing N N 359 
THR   CA  HA   sing N N 360 
THR   C   O    doub N N 361 
THR   C   OXT  sing N N 362 
THR   CB  OG1  sing N N 363 
THR   CB  CG2  sing N N 364 
THR   CB  HB   sing N N 365 
THR   OG1 HG1  sing N N 366 
THR   CG2 HG21 sing N N 367 
THR   CG2 HG22 sing N N 368 
THR   CG2 HG23 sing N N 369 
THR   OXT HXT  sing N N 370 
TRP   N   CA   sing N N 371 
TRP   N   H    sing N N 372 
TRP   N   H2   sing N N 373 
TRP   CA  C    sing N N 374 
TRP   CA  CB   sing N N 375 
TRP   CA  HA   sing N N 376 
TRP   C   O    doub N N 377 
TRP   C   OXT  sing N N 378 
TRP   CB  CG   sing N N 379 
TRP   CB  HB2  sing N N 380 
TRP   CB  HB3  sing N N 381 
TRP   CG  CD1  doub Y N 382 
TRP   CG  CD2  sing Y N 383 
TRP   CD1 NE1  sing Y N 384 
TRP   CD1 HD1  sing N N 385 
TRP   CD2 CE2  doub Y N 386 
TRP   CD2 CE3  sing Y N 387 
TRP   NE1 CE2  sing Y N 388 
TRP   NE1 HE1  sing N N 389 
TRP   CE2 CZ2  sing Y N 390 
TRP   CE3 CZ3  doub Y N 391 
TRP   CE3 HE3  sing N N 392 
TRP   CZ2 CH2  doub Y N 393 
TRP   CZ2 HZ2  sing N N 394 
TRP   CZ3 CH2  sing Y N 395 
TRP   CZ3 HZ3  sing N N 396 
TRP   CH2 HH2  sing N N 397 
TRP   OXT HXT  sing N N 398 
TYR   N   CA   sing N N 399 
TYR   N   H    sing N N 400 
TYR   N   H2   sing N N 401 
TYR   CA  C    sing N N 402 
TYR   CA  CB   sing N N 403 
TYR   CA  HA   sing N N 404 
TYR   C   O    doub N N 405 
TYR   C   OXT  sing N N 406 
TYR   CB  CG   sing N N 407 
TYR   CB  HB2  sing N N 408 
TYR   CB  HB3  sing N N 409 
TYR   CG  CD1  doub Y N 410 
TYR   CG  CD2  sing Y N 411 
TYR   CD1 CE1  sing Y N 412 
TYR   CD1 HD1  sing N N 413 
TYR   CD2 CE2  doub Y N 414 
TYR   CD2 HD2  sing N N 415 
TYR   CE1 CZ   doub Y N 416 
TYR   CE1 HE1  sing N N 417 
TYR   CE2 CZ   sing Y N 418 
TYR   CE2 HE2  sing N N 419 
TYR   CZ  OH   sing N N 420 
TYR   OH  HH   sing N N 421 
TYR   OXT HXT  sing N N 422 
VAL   N   CA   sing N N 423 
VAL   N   H    sing N N 424 
VAL   N   H2   sing N N 425 
VAL   CA  C    sing N N 426 
VAL   CA  CB   sing N N 427 
VAL   CA  HA   sing N N 428 
VAL   C   O    doub N N 429 
VAL   C   OXT  sing N N 430 
VAL   CB  CG1  sing N N 431 
VAL   CB  CG2  sing N N 432 
VAL   CB  HB   sing N N 433 
VAL   CG1 HG11 sing N N 434 
VAL   CG1 HG12 sing N N 435 
VAL   CG1 HG13 sing N N 436 
VAL   CG2 HG21 sing N N 437 
VAL   CG2 HG22 sing N N 438 
VAL   CG2 HG23 sing N N 439 
VAL   OXT HXT  sing N N 440 
# 
_pdbx_audit_support.funding_organization   'Other private' 
_pdbx_audit_support.country                ? 
_pdbx_audit_support.grant_number           ? 
_pdbx_audit_support.ordinal                1 
# 
_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   8ITZ 
_pdbx_initial_refinement_model.details          ? 
# 
_atom_sites.entry_id                    8Z25 
_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]   0.028053 
_atom_sites.fract_transf_matrix[1][2]   0.000000 
_atom_sites.fract_transf_matrix[1][3]   0.000000 
_atom_sites.fract_transf_matrix[2][1]   0.000000 
_atom_sites.fract_transf_matrix[2][2]   0.017479 
_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]   0.016185 
_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 
BR 
C  
CL 
F  
H  
MG 
N  
O  
S  
# 
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   . PRO   A 1 42  ? 23.489  3.516   72.326 1.00 45.42 ? 113 PRO   A N   1 
ATOM   2    C  CA  . PRO   A 1 42  ? 23.590  4.715   71.481 1.00 44.70 ? 113 PRO   A CA  1 
ATOM   3    C  C   . PRO   A 1 42  ? 23.612  4.346   69.996 1.00 46.89 ? 113 PRO   A C   1 
ATOM   4    O  O   . PRO   A 1 42  ? 24.633  3.904   69.453 1.00 46.67 ? 113 PRO   A O   1 
ATOM   5    C  CB  . PRO   A 1 42  ? 24.872  5.397   71.970 1.00 46.56 ? 113 PRO   A CB  1 
ATOM   6    C  CG  . PRO   A 1 42  ? 25.135  4.803   73.332 1.00 51.40 ? 113 PRO   A CG  1 
ATOM   7    C  CD  . PRO   A 1 42  ? 24.637  3.394   73.240 1.00 47.19 ? 113 PRO   A CD  1 
ATOM   8    N  N   . LEU   A 1 43  ? 22.436  4.467   69.363 1.00 42.01 ? 114 LEU   A N   1 
ATOM   9    C  CA  . LEU   A 1 43  ? 22.194  4.131   67.957 1.00 41.03 ? 114 LEU   A CA  1 
ATOM   10   C  C   . LEU   A 1 43  ? 21.440  5.274   67.259 1.00 42.49 ? 114 LEU   A C   1 
ATOM   11   O  O   . LEU   A 1 43  ? 20.794  6.081   67.932 1.00 41.82 ? 114 LEU   A O   1 
ATOM   12   C  CB  . LEU   A 1 43  ? 21.382  2.817   67.854 1.00 41.23 ? 114 LEU   A CB  1 
ATOM   13   C  CG  . LEU   A 1 43  ? 21.887  1.601   68.652 1.00 46.15 ? 114 LEU   A CG  1 
ATOM   14   C  CD1 . LEU   A 1 43  ? 20.742  0.708   69.064 1.00 46.57 ? 114 LEU   A CD1 1 
ATOM   15   C  CD2 . LEU   A 1 43  ? 22.950  0.812   67.882 1.00 48.18 ? 114 LEU   A CD2 1 
ATOM   16   N  N   . ILE   A 1 44  ? 21.514  5.328   65.914 1.00 37.35 ? 115 ILE   A N   1 
ATOM   17   C  CA  . ILE   A 1 44  ? 20.862  6.341   65.072 1.00 36.52 ? 115 ILE   A CA  1 
ATOM   18   C  C   . ILE   A 1 44  ? 19.379  6.017   64.807 1.00 37.79 ? 115 ILE   A C   1 
ATOM   19   O  O   . ILE   A 1 44  ? 19.037  4.871   64.501 1.00 37.45 ? 115 ILE   A O   1 
ATOM   20   C  CB  . ILE   A 1 44  ? 21.684  6.559   63.761 1.00 39.65 ? 115 ILE   A CB  1 
ATOM   21   C  CG1 . ILE   A 1 44  ? 22.941  7.397   64.040 1.00 40.47 ? 115 ILE   A CG1 1 
ATOM   22   C  CG2 . ILE   A 1 44  ? 20.869  7.179   62.620 1.00 40.41 ? 115 ILE   A CG2 1 
ATOM   23   N  N   . VAL   A 1 45  ? 18.521  7.054   64.899 1.00 32.09 ? 116 VAL   A N   1 
ATOM   24   C  CA  . VAL   A 1 45  ? 17.068  7.049   64.647 1.00 30.43 ? 116 VAL   A CA  1 
ATOM   25   C  C   . VAL   A 1 45  ? 16.789  7.876   63.351 1.00 32.66 ? 116 VAL   A C   1 
ATOM   26   O  O   . VAL   A 1 45  ? 17.294  8.999   63.264 1.00 33.04 ? 116 VAL   A O   1 
ATOM   27   C  CB  . VAL   A 1 45  ? 16.305  7.626   65.875 1.00 33.47 ? 116 VAL   A CB  1 
ATOM   28   C  CG1 . VAL   A 1 45  ? 14.832  7.864   65.572 1.00 33.12 ? 116 VAL   A CG1 1 
ATOM   29   C  CG2 . VAL   A 1 45  ? 16.463  6.727   67.091 1.00 33.16 ? 116 VAL   A CG2 1 
ATOM   30   N  N   . PRO   A 1 46  ? 16.017  7.391   62.335 1.00 26.50 ? 117 PRO   A N   1 
ATOM   31   C  CA  . PRO   A 1 46  ? 15.343  6.084   62.238 1.00 25.68 ? 117 PRO   A CA  1 
ATOM   32   C  C   . PRO   A 1 46  ? 16.307  4.906   62.180 1.00 27.60 ? 117 PRO   A C   1 
ATOM   33   O  O   . PRO   A 1 46  ? 17.404  5.002   61.611 1.00 28.60 ? 117 PRO   A O   1 
ATOM   34   C  CB  . PRO   A 1 46  ? 14.453  6.226   60.994 1.00 27.49 ? 117 PRO   A CB  1 
ATOM   35   C  CG  . PRO   A 1 46  ? 15.147  7.246   60.151 1.00 32.66 ? 117 PRO   A CG  1 
ATOM   36   C  CD  . PRO   A 1 46  ? 15.782  8.207   61.127 1.00 28.13 ? 117 PRO   A CD  1 
ATOM   37   N  N   . TYR   A 1 47  ? 15.901  3.812   62.830 1.00 20.38 ? 118 TYR   A N   1 
ATOM   38   C  CA  . TYR   A 1 47  ? 16.648  2.569   62.936 1.00 18.47 ? 118 TYR   A CA  1 
ATOM   39   C  C   . TYR   A 1 47  ? 15.809  1.402   62.403 1.00 20.72 ? 118 TYR   A C   1 
ATOM   40   O  O   . TYR   A 1 47  ? 14.624  1.295   62.744 1.00 20.20 ? 118 TYR   A O   1 
ATOM   41   C  CB  . TYR   A 1 47  ? 16.992  2.303   64.412 1.00 18.24 ? 118 TYR   A CB  1 
ATOM   42   C  CG  . TYR   A 1 47  ? 17.918  1.122   64.621 1.00 18.80 ? 118 TYR   A CG  1 
ATOM   43   C  CD1 . TYR   A 1 47  ? 19.301  1.292   64.643 1.00 20.64 ? 118 TYR   A CD1 1 
ATOM   44   C  CD2 . TYR   A 1 47  ? 17.414  -0.143  64.911 1.00 18.99 ? 118 TYR   A CD2 1 
ATOM   45   C  CE1 . TYR   A 1 47  ? 20.158  0.219   64.878 1.00 21.64 ? 118 TYR   A CE1 1 
ATOM   46   C  CE2 . TYR   A 1 47  ? 18.263  -1.230  65.121 1.00 20.16 ? 118 TYR   A CE2 1 
ATOM   47   C  CZ  . TYR   A 1 47  ? 19.635  -1.044  65.108 1.00 30.03 ? 118 TYR   A CZ  1 
ATOM   48   O  OH  . TYR   A 1 47  ? 20.482  -2.112  65.302 1.00 29.93 ? 118 TYR   A OH  1 
ATOM   49   N  N   . ASN   A 1 48  ? 16.434  0.517   61.607 1.00 15.71 ? 119 ASN   A N   1 
ATOM   50   C  CA  . ASN   A 1 48  ? 15.766  -0.696  61.096 1.00 15.69 ? 119 ASN   A CA  1 
ATOM   51   C  C   . ASN   A 1 48  ? 16.309  -1.945  61.776 1.00 17.37 ? 119 ASN   A C   1 
ATOM   52   O  O   . ASN   A 1 48  ? 17.523  -2.229  61.720 1.00 17.37 ? 119 ASN   A O   1 
ATOM   53   C  CB  . ASN   A 1 48  ? 15.901  -0.846  59.581 1.00 18.69 ? 119 ASN   A CB  1 
ATOM   54   C  CG  . ASN   A 1 48  ? 15.398  -2.198  59.105 1.00 48.78 ? 119 ASN   A CG  1 
ATOM   55   O  OD1 . ASN   A 1 48  ? 14.229  -2.553  59.298 1.00 39.89 ? 119 ASN   A OD1 1 
ATOM   56   N  ND2 . ASN   A 1 48  ? 16.278  -3.008  58.514 1.00 41.97 ? 119 ASN   A ND2 1 
ATOM   57   N  N   . LEU   A 1 49  ? 15.410  -2.680  62.433 1.00 12.42 ? 120 LEU   A N   1 
ATOM   58   C  CA  . LEU   A 1 49  ? 15.748  -3.931  63.078 1.00 11.09 ? 120 LEU   A CA  1 
ATOM   59   C  C   . LEU   A 1 49  ? 15.206  -5.087  62.196 1.00 14.10 ? 120 LEU   A C   1 
ATOM   60   O  O   . LEU   A 1 49  ? 13.985  -5.268  62.098 1.00 13.22 ? 120 LEU   A O   1 
ATOM   61   C  CB  . LEU   A 1 49  ? 15.210  -4.010  64.517 1.00 10.34 ? 120 LEU   A CB  1 
ATOM   62   C  CG  . LEU   A 1 49  ? 15.351  -5.368  65.284 1.00 13.96 ? 120 LEU   A CG  1 
ATOM   63   C  CD1 . LEU   A 1 49  ? 16.804  -5.743  65.553 1.00 15.11 ? 120 LEU   A CD1 1 
ATOM   64   C  CD2 . LEU   A 1 49  ? 14.620  -5.344  66.598 1.00 17.57 ? 120 LEU   A CD2 1 
ATOM   65   N  N   . PRO   A 1 50  ? 16.077  -5.872  61.528 1.00 13.27 ? 121 PRO   A N   1 
ATOM   66   C  CA  . PRO   A 1 50  ? 15.564  -7.007  60.728 1.00 13.22 ? 121 PRO   A CA  1 
ATOM   67   C  C   . PRO   A 1 50  ? 14.961  -8.070  61.651 1.00 14.46 ? 121 PRO   A C   1 
ATOM   68   O  O   . PRO   A 1 50  ? 15.463  -8.262  62.762 1.00 12.46 ? 121 PRO   A O   1 
ATOM   69   C  CB  . PRO   A 1 50  ? 16.816  -7.536  60.021 1.00 14.82 ? 121 PRO   A CB  1 
ATOM   70   C  CG  . PRO   A 1 50  ? 17.834  -6.404  60.116 1.00 19.64 ? 121 PRO   A CG  1 
ATOM   71   C  CD  . PRO   A 1 50  ? 17.554  -5.830  61.481 1.00 15.91 ? 121 PRO   A CD  1 
ATOM   72   N  N   . LEU   A 1 51  ? 13.828  -8.675  61.250 1.00 9.72  ? 122 LEU   A N   1 
ATOM   73   C  CA  . LEU   A 1 51  ? 13.179  -9.754  62.027 1.00 8.82  ? 122 LEU   A CA  1 
ATOM   74   C  C   . LEU   A 1 51  ? 13.292  -10.965 61.095 1.00 14.37 ? 122 LEU   A C   1 
ATOM   75   O  O   . LEU   A 1 51  ? 12.413  -11.165 60.262 1.00 14.93 ? 122 LEU   A O   1 
ATOM   76   C  CB  . LEU   A 1 51  ? 11.703  -9.418  62.370 1.00 7.91  ? 122 LEU   A CB  1 
ATOM   77   C  CG  . LEU   A 1 51  ? 11.480  -8.107  63.131 1.00 11.71 ? 122 LEU   A CG  1 
ATOM   78   C  CD1 . LEU   A 1 51  ? 10.003  -7.746  63.177 1.00 12.00 ? 122 LEU   A CD1 1 
ATOM   79   C  CD2 . LEU   A 1 51  ? 12.054  -8.182  64.572 1.00 13.80 ? 122 LEU   A CD2 1 
ATOM   80   N  N   . PRO   A 1 52  ? 14.418  -11.716 61.130 1.00 10.78 ? 123 PRO   A N   1 
ATOM   81   C  CA  . PRO   A 1 52  ? 14.614  -12.769 60.119 1.00 10.55 ? 123 PRO   A CA  1 
ATOM   82   C  C   . PRO   A 1 52  ? 13.570  -13.860 60.191 1.00 12.29 ? 123 PRO   A C   1 
ATOM   83   O  O   . PRO   A 1 52  ? 13.375  -14.412 61.244 1.00 11.70 ? 123 PRO   A O   1 
ATOM   84   C  CB  . PRO   A 1 52  ? 16.040  -13.272 60.383 1.00 12.55 ? 123 PRO   A CB  1 
ATOM   85   C  CG  . PRO   A 1 52  ? 16.709  -12.123 61.164 1.00 16.40 ? 123 PRO   A CG  1 
ATOM   86   C  CD  . PRO   A 1 52  ? 15.591  -11.621 62.026 1.00 11.82 ? 123 PRO   A CD  1 
ATOM   87   N  N   . GLY   A 1 53  ? 12.886  -14.099 59.080 1.00 10.14 ? 124 GLY   A N   1 
ATOM   88   C  CA  . GLY   A 1 53  ? 11.816  -15.090 58.992 1.00 10.15 ? 124 GLY   A CA  1 
ATOM   89   C  C   . GLY   A 1 53  ? 10.534  -14.628 59.655 1.00 12.56 ? 124 GLY   A C   1 
ATOM   90   O  O   . GLY   A 1 53  ? 9.674   -15.439 60.004 1.00 9.27  ? 124 GLY   A O   1 
ATOM   91   N  N   . GLY   A 1 54  ? 10.433  -13.320 59.877 1.00 12.29 ? 125 GLY   A N   1 
ATOM   92   C  CA  . GLY   A 1 54  ? 9.249   -12.726 60.465 1.00 11.62 ? 125 GLY   A CA  1 
ATOM   93   C  C   . GLY   A 1 54  ? 9.106   -13.019 61.933 1.00 16.19 ? 125 GLY   A C   1 
ATOM   94   O  O   . GLY   A 1 54  ? 10.080  -13.366 62.610 1.00 15.24 ? 125 GLY   A O   1 
ATOM   95   N  N   . VAL   A 1 55  ? 7.875   -12.882 62.422 1.00 13.52 ? 126 VAL   A N   1 
ATOM   96   C  CA  . VAL   A 1 55  ? 7.582   -13.058 63.849 1.00 11.94 ? 126 VAL   A CA  1 
ATOM   97   C  C   . VAL   A 1 55  ? 6.839   -14.345 64.124 1.00 15.20 ? 126 VAL   A C   1 
ATOM   98   O  O   . VAL   A 1 55  ? 6.281   -14.943 63.211 1.00 15.27 ? 126 VAL   A O   1 
ATOM   99   C  CB  . VAL   A 1 55  ? 6.871   -11.836 64.473 1.00 12.95 ? 126 VAL   A CB  1 
ATOM   100  C  CG1 . VAL   A 1 55  ? 7.757   -10.577 64.396 1.00 12.19 ? 126 VAL   A CG1 1 
ATOM   101  C  CG2 . VAL   A 1 55  ? 5.488   -11.606 63.858 1.00 11.72 ? 126 VAL   A CG2 1 
ATOM   102  N  N   . VAL   A 1 56  ? 6.825   -14.760 65.394 1.00 11.99 ? 127 VAL   A N   1 
ATOM   103  C  CA  . VAL   A 1 56  ? 6.177   -16.002 65.807 1.00 13.23 ? 127 VAL   A CA  1 
ATOM   104  C  C   . VAL   A 1 56  ? 5.652   -15.858 67.250 1.00 15.61 ? 127 VAL   A C   1 
ATOM   105  O  O   . VAL   A 1 56  ? 6.310   -15.166 68.030 1.00 14.43 ? 127 VAL   A O   1 
ATOM   106  C  CB  . VAL   A 1 56  ? 7.190   -17.186 65.606 1.00 18.61 ? 127 VAL   A CB  1 
ATOM   107  C  CG1 . VAL   A 1 56  ? 8.352   -17.143 66.587 1.00 18.66 ? 127 VAL   A CG1 1 
ATOM   108  C  CG2 . VAL   A 1 56  ? 6.510   -18.550 65.614 1.00 18.94 ? 127 VAL   A CG2 1 
ATOM   109  N  N   . PRO   A 1 57  ? 4.506   -16.484 67.649 1.00 12.08 ? 128 PRO   A N   1 
ATOM   110  C  CA  . PRO   A 1 57  ? 4.074   -16.393 69.060 1.00 12.36 ? 128 PRO   A CA  1 
ATOM   111  C  C   . PRO   A 1 57  ? 5.190   -16.799 70.029 1.00 15.41 ? 128 PRO   A C   1 
ATOM   112  O  O   . PRO   A 1 57  ? 5.986   -17.703 69.738 1.00 15.44 ? 128 PRO   A O   1 
ATOM   113  C  CB  . PRO   A 1 57  ? 2.895   -17.368 69.124 1.00 13.72 ? 128 PRO   A CB  1 
ATOM   114  C  CG  . PRO   A 1 57  ? 2.333   -17.341 67.791 1.00 17.98 ? 128 PRO   A CG  1 
ATOM   115  C  CD  . PRO   A 1 57  ? 3.534   -17.268 66.866 1.00 14.19 ? 128 PRO   A CD  1 
ATOM   116  N  N   . ARG   A 1 58  ? 5.276   -16.074 71.152 1.00 13.31 ? 129 ARG   A N   1 
ATOM   117  C  CA  . ARG   A 1 58  ? 6.265   -16.170 72.255 1.00 13.34 ? 129 ARG   A CA  1 
ATOM   118  C  C   . ARG   A 1 58  ? 7.580   -15.471 71.910 1.00 15.17 ? 129 ARG   A C   1 
ATOM   119  O  O   . ARG   A 1 58  ? 8.521   -15.524 72.696 1.00 17.04 ? 129 ARG   A O   1 
ATOM   120  C  CB  . ARG   A 1 58  ? 6.495   -17.605 72.782 1.00 14.88 ? 129 ARG   A CB  1 
ATOM   121  C  CG  . ARG   A 1 58  ? 5.204   -18.319 73.208 1.00 19.98 ? 129 ARG   A CG  1 
ATOM   122  C  CD  . ARG   A 1 58  ? 5.497   -19.717 73.760 1.00 20.37 ? 129 ARG   A CD  1 
ATOM   123  N  NE  . ARG   A 1 58  ? 6.002   -20.614 72.723 1.00 32.67 ? 129 ARG   A NE  1 
ATOM   124  C  CZ  . ARG   A 1 58  ? 5.238   -21.286 71.867 1.00 50.85 ? 129 ARG   A CZ  1 
ATOM   125  N  NH1 . ARG   A 1 58  ? 3.915   -21.174 71.916 1.00 39.62 ? 129 ARG   A NH1 1 
ATOM   126  N  NH2 . ARG   A 1 58  ? 5.790   -22.072 70.954 1.00 43.56 ? 129 ARG   A NH2 1 
ATOM   127  N  N   . MET   A 1 59  ? 7.598   -14.712 70.805 1.00 9.46  ? 130 MET   A N   1 
ATOM   128  C  CA  . MET   A 1 59  ? 8.747   -13.857 70.443 1.00 8.28  ? 130 MET   A CA  1 
ATOM   129  C  C   . MET   A 1 59  ? 8.527   -12.493 71.103 1.00 14.36 ? 130 MET   A C   1 
ATOM   130  O  O   . MET   A 1 59  ? 7.480   -11.866 70.910 1.00 13.87 ? 130 MET   A O   1 
ATOM   131  C  CB  . MET   A 1 59  ? 8.897   -13.711 68.924 1.00 8.40  ? 130 MET   A CB  1 
ATOM   132  C  CG  . MET   A 1 59  ? 10.090  -12.883 68.500 1.00 10.25 ? 130 MET   A CG  1 
ATOM   133  S  SD  . MET   A 1 59  ? 10.168  -12.845 66.699 1.00 13.92 ? 130 MET   A SD  1 
ATOM   134  C  CE  . MET   A 1 59  ? 11.713  -11.973 66.462 1.00 11.55 ? 130 MET   A CE  1 
ATOM   135  N  N   . LEU   A 1 60  ? 9.496   -12.082 71.945 1.00 11.23 ? 131 LEU   A N   1 
ATOM   136  C  CA  . LEU   A 1 60  ? 9.454   -10.839 72.701 1.00 11.49 ? 131 LEU   A CA  1 
ATOM   137  C  C   . LEU   A 1 60  ? 10.482  -9.848  72.151 1.00 15.72 ? 131 LEU   A C   1 
ATOM   138  O  O   . LEU   A 1 60  ? 11.676  -10.122 72.199 1.00 16.37 ? 131 LEU   A O   1 
ATOM   139  C  CB  . LEU   A 1 60  ? 9.703   -11.144 74.189 1.00 10.55 ? 131 LEU   A CB  1 
ATOM   140  C  CG  . LEU   A 1 60  ? 9.766   -9.947  75.144 1.00 14.56 ? 131 LEU   A CG  1 
ATOM   141  C  CD1 . LEU   A 1 60  ? 8.377   -9.303  75.320 1.00 14.27 ? 131 LEU   A CD1 1 
ATOM   142  C  CD2 . LEU   A 1 60  ? 10.343  -10.368 76.469 1.00 15.82 ? 131 LEU   A CD2 1 
ATOM   143  N  N   . ILE   A 1 61  ? 10.015  -8.695  71.634 1.00 12.19 ? 132 ILE   A N   1 
ATOM   144  C  CA  . ILE   A 1 61  ? 10.896  -7.648  71.109 1.00 11.07 ? 132 ILE   A CA  1 
ATOM   145  C  C   . ILE   A 1 61  ? 10.996  -6.546  72.173 1.00 15.72 ? 132 ILE   A C   1 
ATOM   146  O  O   . ILE   A 1 61  ? 9.977   -6.049  72.647 1.00 15.34 ? 132 ILE   A O   1 
ATOM   147  C  CB  . ILE   A 1 61  ? 10.417  -7.145  69.710 1.00 14.50 ? 132 ILE   A CB  1 
ATOM   148  C  CG1 . ILE   A 1 61  ? 10.376  -8.293  68.677 1.00 15.16 ? 132 ILE   A CG1 1 
ATOM   149  C  CG2 . ILE   A 1 61  ? 11.277  -5.986  69.170 1.00 16.73 ? 132 ILE   A CG2 1 
ATOM   150  C  CD1 . ILE   A 1 61  ? 9.031   -8.555  68.109 1.00 19.39 ? 132 ILE   A CD1 1 
ATOM   151  N  N   . THR   A 1 62  ? 12.226  -6.208  72.577 1.00 12.76 ? 133 THR   A N   1 
ATOM   152  C  CA  . THR   A 1 62  ? 12.504  -5.168  73.573 1.00 13.34 ? 133 THR   A CA  1 
ATOM   153  C  C   . THR   A 1 62  ? 13.227  -3.987  72.918 1.00 16.86 ? 133 THR   A C   1 
ATOM   154  O  O   . THR   A 1 62  ? 14.256  -4.176  72.262 1.00 18.36 ? 133 THR   A O   1 
ATOM   155  C  CB  . THR   A 1 62  ? 13.277  -5.751  74.775 1.00 19.23 ? 133 THR   A CB  1 
ATOM   156  O  OG1 . THR   A 1 62  ? 12.537  -6.849  75.311 1.00 21.29 ? 133 THR   A OG1 1 
ATOM   157  C  CG2 . THR   A 1 62  ? 13.490  -4.728  75.878 1.00 17.48 ? 133 THR   A CG2 1 
ATOM   158  N  N   . ILE   A 1 63  ? 12.691  -2.769  73.117 1.00 12.09 ? 134 ILE   A N   1 
ATOM   159  C  CA  . ILE   A 1 63  ? 13.267  -1.521  72.599 1.00 11.54 ? 134 ILE   A CA  1 
ATOM   160  C  C   . ILE   A 1 63  ? 13.531  -0.628  73.825 1.00 13.79 ? 134 ILE   A C   1 
ATOM   161  O  O   . ILE   A 1 63  ? 12.601  -0.274  74.526 1.00 12.43 ? 134 ILE   A O   1 
ATOM   162  C  CB  . ILE   A 1 63  ? 12.324  -0.812  71.565 1.00 15.31 ? 134 ILE   A CB  1 
ATOM   163  C  CG1 . ILE   A 1 63  ? 12.012  -1.706  70.332 1.00 15.84 ? 134 ILE   A CG1 1 
ATOM   164  C  CG2 . ILE   A 1 63  ? 12.877  0.579   71.134 1.00 16.23 ? 134 ILE   A CG2 1 
ATOM   165  C  CD1 . ILE   A 1 63  ? 10.551  -2.130  70.243 1.00 22.51 ? 134 ILE   A CD1 1 
ATOM   166  N  N   . LEU   A 1 64  ? 14.805  -0.273  74.056 1.00 12.49 ? 135 LEU   A N   1 
ATOM   167  C  CA  . LEU   A 1 64  ? 15.235  0.612   75.135 1.00 12.03 ? 135 LEU   A CA  1 
ATOM   168  C  C   . LEU   A 1 64  ? 15.711  1.928   74.535 1.00 15.21 ? 135 LEU   A C   1 
ATOM   169  O  O   . LEU   A 1 64  ? 16.394  1.961   73.509 1.00 15.32 ? 135 LEU   A O   1 
ATOM   170  C  CB  . LEU   A 1 64  ? 16.371  -0.016  75.942 1.00 12.42 ? 135 LEU   A CB  1 
ATOM   171  C  CG  . LEU   A 1 64  ? 16.029  -1.271  76.753 1.00 18.13 ? 135 LEU   A CG  1 
ATOM   172  C  CD1 . LEU   A 1 64  ? 17.231  -2.160  76.870 1.00 19.01 ? 135 LEU   A CD1 1 
ATOM   173  C  CD2 . LEU   A 1 64  ? 15.497  -0.918  78.136 1.00 19.99 ? 135 LEU   A CD2 1 
ATOM   174  N  N   . GLY   A 1 65  ? 15.351  3.014   75.191 1.00 12.74 ? 136 GLY   A N   1 
ATOM   175  C  CA  . GLY   A 1 65  ? 15.745  4.335   74.743 1.00 11.15 ? 136 GLY   A CA  1 
ATOM   176  C  C   . GLY   A 1 65  ? 15.311  5.386   75.733 1.00 15.83 ? 136 GLY   A C   1 
ATOM   177  O  O   . GLY   A 1 65  ? 14.820  5.049   76.810 1.00 14.65 ? 136 GLY   A O   1 
ATOM   178  N  N   . THR   A 1 66  ? 15.497  6.656   75.366 1.00 10.94 ? 137 THR   A N   1 
ATOM   179  C  CA  . THR   A 1 66  ? 15.105  7.810   76.172 1.00 10.75 ? 137 THR   A CA  1 
ATOM   180  C  C   . THR   A 1 66  ? 14.304  8.753   75.304 1.00 15.26 ? 137 THR   A C   1 
ATOM   181  O  O   . THR   A 1 66  ? 14.729  9.079   74.191 1.00 15.66 ? 137 THR   A O   1 
ATOM   182  C  CB  . THR   A 1 66  ? 16.332  8.502   76.752 1.00 18.86 ? 137 THR   A CB  1 
ATOM   183  O  OG1 . THR   A 1 66  ? 17.047  7.553   77.537 1.00 20.15 ? 137 THR   A OG1 1 
ATOM   184  C  CG2 . THR   A 1 66  ? 15.966  9.698   77.630 1.00 17.70 ? 137 THR   A CG2 1 
ATOM   185  N  N   . VAL   A 1 67  ? 13.121  9.168   75.786 1.00 12.40 ? 138 VAL   A N   1 
ATOM   186  C  CA  . VAL   A 1 67  ? 12.302  10.133  75.069 1.00 12.64 ? 138 VAL   A CA  1 
ATOM   187  C  C   . VAL   A 1 67  ? 13.042  11.485  75.114 1.00 17.34 ? 138 VAL   A C   1 
ATOM   188  O  O   . VAL   A 1 67  ? 13.589  11.846  76.144 1.00 17.48 ? 138 VAL   A O   1 
ATOM   189  C  CB  . VAL   A 1 67  ? 10.858  10.241  75.631 1.00 16.48 ? 138 VAL   A CB  1 
ATOM   190  C  CG1 . VAL   A 1 67  ? 10.048  11.277  74.873 1.00 16.40 ? 138 VAL   A CG1 1 
ATOM   191  C  CG2 . VAL   A 1 67  ? 10.139  8.891   75.586 1.00 16.48 ? 138 VAL   A CG2 1 
ATOM   192  N  N   . LYS   A 1 68  ? 13.090  12.192  73.993 1.00 14.72 ? 139 LYS   A N   1 
ATOM   193  C  CA  . LYS   A 1 68  ? 13.714  13.510  73.908 1.00 14.51 ? 139 LYS   A CA  1 
ATOM   194  C  C   . LYS   A 1 68  ? 12.848  14.556  74.652 1.00 20.95 ? 139 LYS   A C   1 
ATOM   195  O  O   . LYS   A 1 68  ? 11.629  14.390  74.728 1.00 18.88 ? 139 LYS   A O   1 
ATOM   196  C  CB  . LYS   A 1 68  ? 13.884  13.915  72.430 1.00 16.97 ? 139 LYS   A CB  1 
ATOM   197  C  CG  . LYS   A 1 68  ? 15.130  13.297  71.780 1.00 15.30 ? 139 LYS   A CG  1 
ATOM   198  C  CD  . LYS   A 1 68  ? 15.128  13.507  70.274 1.00 21.94 ? 139 LYS   A CD  1 
ATOM   199  C  CE  . LYS   A 1 68  ? 16.433  13.110  69.638 1.00 37.29 ? 139 LYS   A CE  1 
ATOM   200  N  NZ  . LYS   A 1 68  ? 16.432  13.393  68.177 1.00 49.43 ? 139 LYS   A NZ  1 
ATOM   201  N  N   . PRO   A 1 69  ? 13.429  15.652  75.196 1.00 21.37 ? 140 PRO   A N   1 
ATOM   202  C  CA  . PRO   A 1 69  ? 12.575  16.668  75.838 1.00 21.52 ? 140 PRO   A CA  1 
ATOM   203  C  C   . PRO   A 1 69  ? 11.653  17.292  74.784 1.00 25.15 ? 140 PRO   A C   1 
ATOM   204  O  O   . PRO   A 1 69  ? 12.026  17.324  73.599 1.00 25.36 ? 140 PRO   A O   1 
ATOM   205  C  CB  . PRO   A 1 69  ? 13.585  17.674  76.407 1.00 23.68 ? 140 PRO   A CB  1 
ATOM   206  C  CG  . PRO   A 1 69  ? 14.803  17.494  75.605 1.00 28.32 ? 140 PRO   A CG  1 
ATOM   207  C  CD  . PRO   A 1 69  ? 14.854  16.052  75.213 1.00 23.79 ? 140 PRO   A CD  1 
ATOM   208  N  N   . ASN   A 1 70  ? 10.435  17.729  75.184 1.00 20.59 ? 141 ASN   A N   1 
ATOM   209  C  CA  . ASN   A 1 70  ? 9.432   18.307  74.254 1.00 20.18 ? 141 ASN   A CA  1 
ATOM   210  C  C   . ASN   A 1 70  ? 9.165   17.410  73.024 1.00 23.16 ? 141 ASN   A C   1 
ATOM   211  O  O   . ASN   A 1 70  ? 9.180   17.877  71.877 1.00 22.05 ? 141 ASN   A O   1 
ATOM   212  C  CB  . ASN   A 1 70  ? 9.799   19.751  73.812 1.00 23.32 ? 141 ASN   A CB  1 
ATOM   213  C  CG  . ASN   A 1 70  ? 10.160  20.691  74.929 1.00 50.97 ? 141 ASN   A CG  1 
ATOM   214  O  OD1 . ASN   A 1 70  ? 11.291  21.191  75.005 1.00 45.55 ? 141 ASN   A OD1 1 
ATOM   215  N  ND2 . ASN   A 1 70  ? 9.209   20.957  75.813 1.00 45.23 ? 141 ASN   A ND2 1 
ATOM   216  N  N   . ALA   A 1 71  ? 8.940   16.114  73.259 1.00 19.16 ? 142 ALA   A N   1 
ATOM   217  C  CA  . ALA   A 1 71  ? 8.683   15.182  72.153 1.00 18.56 ? 142 ALA   A CA  1 
ATOM   218  C  C   . ALA   A 1 71  ? 7.304   15.418  71.529 1.00 20.56 ? 142 ALA   A C   1 
ATOM   219  O  O   . ALA   A 1 71  ? 6.384   15.878  72.199 1.00 20.27 ? 142 ALA   A O   1 
ATOM   220  C  CB  . ALA   A 1 71  ? 8.804   13.747  72.638 1.00 19.20 ? 142 ALA   A CB  1 
ATOM   221  N  N   . ASN   A 1 72  ? 7.192   15.169  70.232 1.00 17.47 ? 143 ASN   A N   1 
ATOM   222  C  CA  . ASN   A 1 72  ? 5.939   15.301  69.508 1.00 17.42 ? 143 ASN   A CA  1 
ATOM   223  C  C   . ASN   A 1 72  ? 5.371   13.913  69.164 1.00 18.72 ? 143 ASN   A C   1 
ATOM   224  O  O   . ASN   A 1 72  ? 4.172   13.683  69.352 1.00 16.69 ? 143 ASN   A O   1 
ATOM   225  C  CB  . ASN   A 1 72  ? 6.141   16.153  68.237 1.00 19.40 ? 143 ASN   A CB  1 
ATOM   226  C  CG  . ASN   A 1 72  ? 4.866   16.538  67.505 1.00 55.33 ? 143 ASN   A CG  1 
ATOM   227  O  OD1 . ASN   A 1 72  ? 3.835   16.878  68.110 1.00 54.08 ? 143 ASN   A OD1 1 
ATOM   228  N  ND2 . ASN   A 1 72  ? 4.915   16.509  66.173 1.00 48.03 ? 143 ASN   A ND2 1 
ATOM   229  N  N   . ARG   A 1 73  ? 6.243   12.978  68.715 1.00 15.17 ? 144 ARG   A N   1 
ATOM   230  C  CA  . ARG   A 1 73  ? 5.814   11.633  68.286 1.00 15.16 ? 144 ARG   A CA  1 
ATOM   231  C  C   . ARG   A 1 73  ? 6.903   10.546  68.373 1.00 17.17 ? 144 ARG   A C   1 
ATOM   232  O  O   . ARG   A 1 73  ? 8.102   10.831  68.273 1.00 17.06 ? 144 ARG   A O   1 
ATOM   233  C  CB  . ARG   A 1 73  ? 5.259   11.703  66.835 1.00 16.71 ? 144 ARG   A CB  1 
ATOM   234  C  CG  . ARG   A 1 73  ? 6.346   12.107  65.816 1.00 28.71 ? 144 ARG   A CG  1 
ATOM   235  C  CD  . ARG   A 1 73  ? 5.875   12.524  64.429 1.00 35.50 ? 144 ARG   A CD  1 
ATOM   236  N  NE  . ARG   A 1 73  ? 7.033   12.930  63.622 1.00 38.43 ? 144 ARG   A NE  1 
ATOM   237  C  CZ  . ARG   A 1 73  ? 7.017   13.162  62.309 1.00 48.83 ? 144 ARG   A CZ  1 
ATOM   238  N  NH1 . ARG   A 1 73  ? 8.135   13.498  61.674 1.00 30.88 ? 144 ARG   A NH1 1 
ATOM   239  N  NH2 . ARG   A 1 73  ? 5.890   13.038  61.618 1.00 30.23 ? 144 ARG   A NH2 1 
ATOM   240  N  N   . ILE   A 1 74  ? 6.458   9.289   68.509 1.00 15.13 ? 145 ILE   A N   1 
ATOM   241  C  CA  . ILE   A 1 74  ? 7.281   8.073   68.439 1.00 14.60 ? 145 ILE   A CA  1 
ATOM   242  C  C   . ILE   A 1 74  ? 6.490   7.139   67.517 1.00 15.11 ? 145 ILE   A C   1 
ATOM   243  O  O   . ILE   A 1 74  ? 5.257   7.176   67.541 1.00 12.51 ? 145 ILE   A O   1 
ATOM   244  C  CB  . ILE   A 1 74  ? 7.563   7.384   69.817 1.00 18.32 ? 145 ILE   A CB  1 
ATOM   245  C  CG1 . ILE   A 1 74  ? 8.205   8.351   70.841 1.00 19.37 ? 145 ILE   A CG1 1 
ATOM   246  C  CG2 . ILE   A 1 74  ? 8.437   6.117   69.641 1.00 18.59 ? 145 ILE   A CG2 1 
ATOM   247  C  CD1 . ILE   A 1 74  ? 7.989   7.970   72.301 1.00 23.44 ? 145 ILE   A CD1 1 
ATOM   248  N  N   . ALA   A 1 75  ? 7.179   6.322   66.706 1.00 10.90 ? 146 ALA   A N   1 
ATOM   249  C  CA  . ALA   A 1 75  ? 6.500   5.317   65.888 1.00 9.38  ? 146 ALA   A CA  1 
ATOM   250  C  C   . ALA   A 1 75  ? 7.289   4.023   65.808 1.00 13.33 ? 146 ALA   A C   1 
ATOM   251  O  O   . ALA   A 1 75  ? 8.512   4.048   65.592 1.00 14.15 ? 146 ALA   A O   1 
ATOM   252  C  CB  . ALA   A 1 75  ? 6.218   5.842   64.481 1.00 10.47 ? 146 ALA   A CB  1 
ATOM   253  N  N   . LEU   A 1 76  ? 6.583   2.891   65.992 1.00 9.69  ? 147 LEU   A N   1 
ATOM   254  C  CA  . LEU   A 1 76  ? 7.101   1.544   65.775 1.00 10.09 ? 147 LEU   A CA  1 
ATOM   255  C  C   . LEU   A 1 76  ? 6.295   1.018   64.607 1.00 12.57 ? 147 LEU   A C   1 
ATOM   256  O  O   . LEU   A 1 76  ? 5.059   1.079   64.648 1.00 12.02 ? 147 LEU   A O   1 
ATOM   257  C  CB  . LEU   A 1 76  ? 6.914   0.606   66.980 1.00 10.64 ? 147 LEU   A CB  1 
ATOM   258  C  CG  . LEU   A 1 76  ? 7.760   0.879   68.227 1.00 16.64 ? 147 LEU   A CG  1 
ATOM   259  C  CD1 . LEU   A 1 76  ? 7.450   -0.128  69.323 1.00 17.50 ? 147 LEU   A CD1 1 
ATOM   260  C  CD2 . LEU   A 1 76  ? 9.226   0.832   67.919 1.00 19.12 ? 147 LEU   A CD2 1 
ATOM   261  N  N   . ASP   A 1 77  ? 6.979   0.596   63.541 1.00 9.91  ? 148 ASP   A N   1 
ATOM   262  C  CA  . ASP   A 1 77  ? 6.341   0.051   62.339 1.00 8.47  ? 148 ASP   A CA  1 
ATOM   263  C  C   . ASP   A 1 77  ? 6.822   -1.372  62.087 1.00 13.05 ? 148 ASP   A C   1 
ATOM   264  O  O   . ASP   A 1 77  ? 7.966   -1.558  61.658 1.00 14.14 ? 148 ASP   A O   1 
ATOM   265  C  CB  . ASP   A 1 77  ? 6.584   0.930   61.097 1.00 8.06  ? 148 ASP   A CB  1 
ATOM   266  C  CG  . ASP   A 1 77  ? 5.891   2.268   61.192 1.00 14.98 ? 148 ASP   A CG  1 
ATOM   267  O  OD1 . ASP   A 1 77  ? 4.695   2.345   60.832 1.00 17.96 ? 148 ASP   A OD1 1 
ATOM   268  O  OD2 . ASP   A 1 77  ? 6.537   3.233   61.642 1.00 13.43 ? 148 ASP   A OD2 1 
ATOM   269  N  N   . PHE   A 1 78  ? 5.963   -2.375  62.385 1.00 9.98  ? 149 PHE   A N   1 
ATOM   270  C  CA  . PHE   A 1 78  ? 6.257   -3.792  62.117 1.00 8.19  ? 149 PHE   A CA  1 
ATOM   271  C  C   . PHE   A 1 78  ? 5.779   -4.014  60.701 1.00 12.07 ? 149 PHE   A C   1 
ATOM   272  O  O   . PHE   A 1 78  ? 4.583   -3.884  60.398 1.00 9.07  ? 149 PHE   A O   1 
ATOM   273  C  CB  . PHE   A 1 78  ? 5.558   -4.719  63.124 1.00 9.21  ? 149 PHE   A CB  1 
ATOM   274  C  CG  . PHE   A 1 78  ? 6.174   -4.728  64.500 1.00 10.41 ? 149 PHE   A CG  1 
ATOM   275  C  CD1 . PHE   A 1 78  ? 5.732   -3.852  65.479 1.00 10.95 ? 149 PHE   A CD1 1 
ATOM   276  C  CD2 . PHE   A 1 78  ? 7.125   -5.692  64.848 1.00 11.72 ? 149 PHE   A CD2 1 
ATOM   277  C  CE1 . PHE   A 1 78  ? 6.282   -3.885  66.769 1.00 12.08 ? 149 PHE   A CE1 1 
ATOM   278  C  CE2 . PHE   A 1 78  ? 7.658   -5.737  66.139 1.00 15.24 ? 149 PHE   A CE2 1 
ATOM   279  C  CZ  . PHE   A 1 78  ? 7.249   -4.818  67.087 1.00 12.49 ? 149 PHE   A CZ  1 
ATOM   280  N  N   . GLN   A 1 79  ? 6.737   -4.232  59.809 1.00 7.99  ? 150 GLN   A N   1 
ATOM   281  C  CA  . GLN   A 1 79  ? 6.438   -4.297  58.393 1.00 9.49  ? 150 GLN   A CA  1 
ATOM   282  C  C   . GLN   A 1 79  ? 6.489   -5.661  57.740 1.00 10.13 ? 150 GLN   A C   1 
ATOM   283  O  O   . GLN   A 1 79  ? 7.384   -6.448  58.034 1.00 9.00  ? 150 GLN   A O   1 
ATOM   284  C  CB  . GLN   A 1 79  ? 7.377   -3.352  57.634 1.00 11.54 ? 150 GLN   A CB  1 
ATOM   285  C  CG  . GLN   A 1 79  ? 7.230   -1.892  58.094 1.00 19.04 ? 150 GLN   A CG  1 
ATOM   286  C  CD  . GLN   A 1 79  ? 7.222   -0.870  56.989 1.00 36.49 ? 150 GLN   A CD  1 
ATOM   287  O  OE1 . GLN   A 1 79  ? 6.787   -1.111  55.852 1.00 37.27 ? 150 GLN   A OE1 1 
ATOM   288  N  NE2 . GLN   A 1 79  ? 7.677   0.319   57.322 1.00 22.14 ? 150 GLN   A NE2 1 
ATOM   289  N  N   . ARG   A 1 80  ? 5.614   -5.854  56.753 1.00 10.01 ? 151 ARG   A N   1 
ATOM   290  C  CA  . ARG   A 1 80  ? 5.583   -6.996  55.832 1.00 9.50  ? 151 ARG   A CA  1 
ATOM   291  C  C   . ARG   A 1 80  ? 5.748   -6.319  54.451 1.00 12.01 ? 151 ARG   A C   1 
ATOM   292  O  O   . ARG   A 1 80  ? 4.780   -5.811  53.877 1.00 9.95  ? 151 ARG   A O   1 
ATOM   293  C  CB  . ARG   A 1 80  ? 4.270   -7.800  55.977 1.00 9.29  ? 151 ARG   A CB  1 
ATOM   294  C  CG  . ARG   A 1 80  ? 4.097   -8.851  54.850 1.00 11.74 ? 151 ARG   A CG  1 
ATOM   295  C  CD  . ARG   A 1 80  ? 2.887   -9.766  54.975 1.00 10.69 ? 151 ARG   A CD  1 
ATOM   296  N  NE  . ARG   A 1 80  ? 2.797   -10.678 53.825 1.00 10.44 ? 151 ARG   A NE  1 
ATOM   297  C  CZ  . ARG   A 1 80  ? 1.901   -10.599 52.839 1.00 21.70 ? 151 ARG   A CZ  1 
ATOM   298  N  NH1 . ARG   A 1 80  ? 0.928   -9.694  52.883 1.00 10.03 ? 151 ARG   A NH1 1 
ATOM   299  N  NH2 . ARG   A 1 80  ? 1.935   -11.463 51.830 1.00 11.60 ? 151 ARG   A NH2 1 
ATOM   300  N  N   . GLY   A 1 81  ? 6.997   -6.223  53.987 1.00 8.22  ? 152 GLY   A N   1 
ATOM   301  C  CA  . GLY   A 1 81  ? 7.330   -5.468  52.780 1.00 9.24  ? 152 GLY   A CA  1 
ATOM   302  C  C   . GLY   A 1 81  ? 6.908   -4.012  52.959 1.00 11.62 ? 152 GLY   A C   1 
ATOM   303  O  O   . GLY   A 1 81  ? 7.266   -3.375  53.955 1.00 9.28  ? 152 GLY   A O   1 
ATOM   304  N  N   . ASN   A 1 82  ? 6.050   -3.515  52.049 1.00 10.65 ? 153 ASN   A N   1 
ATOM   305  C  CA  . ASN   A 1 82  ? 5.498   -2.160  52.129 1.00 9.61  ? 153 ASN   A CA  1 
ATOM   306  C  C   . ASN   A 1 82  ? 4.314   -2.038  53.095 1.00 14.18 ? 153 ASN   A C   1 
ATOM   307  O  O   . ASN   A 1 82  ? 4.019   -0.922  53.525 1.00 15.20 ? 153 ASN   A O   1 
ATOM   308  C  CB  . ASN   A 1 82  ? 5.110   -1.622  50.746 1.00 8.07  ? 153 ASN   A CB  1 
ATOM   309  C  CG  . ASN   A 1 82  ? 4.674   -0.167  50.820 1.00 16.45 ? 153 ASN   A CG  1 
ATOM   310  O  OD1 . ASN   A 1 82  ? 5.438   0.705   51.217 1.00 17.79 ? 153 ASN   A OD1 1 
ATOM   311  N  ND2 . ASN   A 1 82  ? 3.432   0.127   50.505 1.00 10.28 ? 153 ASN   A ND2 1 
ATOM   312  N  N   . ASP   A 1 83  ? 3.643   -3.153  53.459 1.00 8.24  ? 154 ASP   A N   1 
ATOM   313  C  CA  . ASP   A 1 83  ? 2.540   -3.027  54.393 1.00 8.12  ? 154 ASP   A CA  1 
ATOM   314  C  C   . ASP   A 1 83  ? 3.005   -2.842  55.824 1.00 12.16 ? 154 ASP   A C   1 
ATOM   315  O  O   . ASP   A 1 83  ? 4.085   -3.304  56.175 1.00 9.29  ? 154 ASP   A O   1 
ATOM   316  C  CB  . ASP   A 1 83  ? 1.581   -4.235  54.308 1.00 7.65  ? 154 ASP   A CB  1 
ATOM   317  C  CG  . ASP   A 1 83  ? 0.702   -4.255  53.078 1.00 13.03 ? 154 ASP   A CG  1 
ATOM   318  O  OD1 . ASP   A 1 83  ? 0.577   -3.209  52.422 1.00 16.54 ? 154 ASP   A OD1 1 
ATOM   319  O  OD2 . ASP   A 1 83  ? 0.114   -5.304  52.795 1.00 12.84 ? 154 ASP   A OD2 1 
ATOM   320  N  N   . VAL   A 1 84  ? 2.194   -2.163  56.654 1.00 10.05 ? 155 VAL   A N   1 
ATOM   321  C  CA  . VAL   A 1 84  ? 2.551   -2.041  58.071 1.00 9.41  ? 155 VAL   A CA  1 
ATOM   322  C  C   . VAL   A 1 84  ? 1.583   -2.946  58.815 1.00 12.55 ? 155 VAL   A C   1 
ATOM   323  O  O   . VAL   A 1 84  ? 0.403   -2.653  58.861 1.00 12.45 ? 155 VAL   A O   1 
ATOM   324  C  CB  . VAL   A 1 84  ? 2.621   -0.596  58.634 1.00 13.29 ? 155 VAL   A CB  1 
ATOM   325  C  CG1 . VAL   A 1 84  ? 3.126   -0.597  60.088 1.00 13.09 ? 155 VAL   A CG1 1 
ATOM   326  C  CG2 . VAL   A 1 84  ? 3.512   0.304   57.778 1.00 13.57 ? 155 VAL   A CG2 1 
ATOM   327  N  N   . ALA   A 1 85  ? 2.064   -4.096  59.336 1.00 10.38 ? 156 ALA   A N   1 
ATOM   328  C  CA  . ALA   A 1 85  ? 1.166   -5.029  60.039 1.00 7.65  ? 156 ALA   A CA  1 
ATOM   329  C  C   . ALA   A 1 85  ? 0.705   -4.401  61.350 1.00 12.37 ? 156 ALA   A C   1 
ATOM   330  O  O   . ALA   A 1 85  ? -0.474  -4.501  61.715 1.00 11.86 ? 156 ALA   A O   1 
ATOM   331  C  CB  . ALA   A 1 85  ? 1.868   -6.370  60.288 1.00 7.87  ? 156 ALA   A CB  1 
ATOM   332  N  N   . PHE   A 1 86  ? 1.622   -3.693  62.020 1.00 8.23  ? 157 PHE   A N   1 
ATOM   333  C  CA  . PHE   A 1 86  ? 1.332   -3.035  63.282 1.00 7.60  ? 157 PHE   A CA  1 
ATOM   334  C  C   . PHE   A 1 86  ? 2.157   -1.756  63.438 1.00 11.05 ? 157 PHE   A C   1 
ATOM   335  O  O   . PHE   A 1 86  ? 3.414   -1.781  63.463 1.00 8.67  ? 157 PHE   A O   1 
ATOM   336  C  CB  . PHE   A 1 86  ? 1.549   -4.009  64.443 1.00 8.26  ? 157 PHE   A CB  1 
ATOM   337  C  CG  . PHE   A 1 86  ? 1.422   -3.491  65.857 1.00 8.91  ? 157 PHE   A CG  1 
ATOM   338  C  CD1 . PHE   A 1 86  ? 0.370   -2.657  66.221 1.00 11.15 ? 157 PHE   A CD1 1 
ATOM   339  C  CD2 . PHE   A 1 86  ? 2.312   -3.904  66.847 1.00 10.77 ? 157 PHE   A CD2 1 
ATOM   340  C  CE1 . PHE   A 1 86  ? 0.230   -2.217  67.544 1.00 12.13 ? 157 PHE   A CE1 1 
ATOM   341  C  CE2 . PHE   A 1 86  ? 2.161   -3.475  68.176 1.00 12.74 ? 157 PHE   A CE2 1 
ATOM   342  C  CZ  . PHE   A 1 86  ? 1.128   -2.632  68.514 1.00 10.91 ? 157 PHE   A CZ  1 
ATOM   343  N  N   . HIS   A 1 87  ? 1.413   -0.633  63.474 1.00 8.85  ? 158 HIS   A N   1 
ATOM   344  C  CA  . HIS   A 1 87  ? 1.892   0.734   63.672 1.00 8.00  ? 158 HIS   A CA  1 
ATOM   345  C  C   . HIS   A 1 87  ? 1.512   1.154   65.073 1.00 10.42 ? 158 HIS   A C   1 
ATOM   346  O  O   . HIS   A 1 87  ? 0.330   1.168   65.391 1.00 11.00 ? 158 HIS   A O   1 
ATOM   347  C  CB  . HIS   A 1 87  ? 1.296   1.654   62.600 1.00 8.72  ? 158 HIS   A CB  1 
ATOM   348  C  CG  . HIS   A 1 87  ? 1.585   3.113   62.748 1.00 11.72 ? 158 HIS   A CG  1 
ATOM   349  N  ND1 . HIS   A 1 87  ? 2.797   3.659   62.339 1.00 12.69 ? 158 HIS   A ND1 1 
ATOM   350  C  CD2 . HIS   A 1 87  ? 0.777   4.114   63.172 1.00 12.98 ? 158 HIS   A CD2 1 
ATOM   351  C  CE1 . HIS   A 1 87  ? 2.673   4.963   62.504 1.00 11.98 ? 158 HIS   A CE1 1 
ATOM   352  N  NE2 . HIS   A 1 87  ? 1.479   5.279   63.019 1.00 12.42 ? 158 HIS   A NE2 1 
ATOM   353  N  N   . PHE   A 1 88  ? 2.505   1.397   65.930 1.00 5.57  ? 159 PHE   A N   1 
ATOM   354  C  CA  . PHE   A 1 88  ? 2.317   1.804   67.329 1.00 6.11  ? 159 PHE   A CA  1 
ATOM   355  C  C   . PHE   A 1 88  ? 2.834   3.231   67.399 1.00 10.88 ? 159 PHE   A C   1 
ATOM   356  O  O   . PHE   A 1 88  ? 4.039   3.466   67.265 1.00 9.92  ? 159 PHE   A O   1 
ATOM   357  C  CB  . PHE   A 1 88  ? 3.079   0.842   68.270 1.00 6.85  ? 159 PHE   A CB  1 
ATOM   358  C  CG  . PHE   A 1 88  ? 3.123   1.208   69.736 1.00 7.92  ? 159 PHE   A CG  1 
ATOM   359  C  CD1 . PHE   A 1 88  ? 2.097   0.828   70.599 1.00 9.42  ? 159 PHE   A CD1 1 
ATOM   360  C  CD2 . PHE   A 1 88  ? 4.221   1.876   70.269 1.00 9.02  ? 159 PHE   A CD2 1 
ATOM   361  C  CE1 . PHE   A 1 88  ? 2.156   1.145   71.962 1.00 9.11  ? 159 PHE   A CE1 1 
ATOM   362  C  CE2 . PHE   A 1 88  ? 4.285   2.182   71.630 1.00 10.76 ? 159 PHE   A CE2 1 
ATOM   363  C  CZ  . PHE   A 1 88  ? 3.251   1.824   72.466 1.00 8.70  ? 159 PHE   A CZ  1 
ATOM   364  N  N   . ASN   A 1 89  ? 1.918   4.185   67.595 1.00 7.85  ? 160 ASN   A N   1 
ATOM   365  C  CA  . ASN   A 1 89  ? 2.243   5.595   67.471 1.00 7.77  ? 160 ASN   A CA  1 
ATOM   366  C  C   . ASN   A 1 89  ? 1.772   6.515   68.598 1.00 10.97 ? 160 ASN   A C   1 
ATOM   367  O  O   . ASN   A 1 89  ? 0.764   7.217   68.481 1.00 10.85 ? 160 ASN   A O   1 
ATOM   368  C  CB  . ASN   A 1 89  ? 1.712   6.082   66.109 1.00 5.63  ? 160 ASN   A CB  1 
ATOM   369  C  CG  . ASN   A 1 89  ? 1.944   7.541   65.744 1.00 21.69 ? 160 ASN   A CG  1 
ATOM   370  O  OD1 . ASN   A 1 89  ? 1.112   8.151   65.067 1.00 14.60 ? 160 ASN   A OD1 1 
ATOM   371  N  ND2 . ASN   A 1 89  ? 3.071   8.126   66.148 1.00 8.77  ? 160 ASN   A ND2 1 
ATOM   372  N  N   . PRO   A 1 90  ? 2.594   6.619   69.658 1.00 7.84  ? 161 PRO   A N   1 
ATOM   373  C  CA  . PRO   A 1 90  ? 2.302   7.606   70.721 1.00 7.56  ? 161 PRO   A CA  1 
ATOM   374  C  C   . PRO   A 1 90  ? 2.426   9.046   70.182 1.00 13.04 ? 161 PRO   A C   1 
ATOM   375  O  O   . PRO   A 1 90  ? 3.442   9.439   69.587 1.00 14.21 ? 161 PRO   A O   1 
ATOM   376  C  CB  . PRO   A 1 90  ? 3.364   7.310   71.795 1.00 8.48  ? 161 PRO   A CB  1 
ATOM   377  C  CG  . PRO   A 1 90  ? 3.852   5.884   71.485 1.00 11.86 ? 161 PRO   A CG  1 
ATOM   378  C  CD  . PRO   A 1 90  ? 3.808   5.843   69.965 1.00 7.29  ? 161 PRO   A CD  1 
ATOM   379  N  N   . ARG   A 1 91  ? 1.357   9.816   70.358 1.00 10.09 ? 162 ARG   A N   1 
ATOM   380  C  CA  . ARG   A 1 91  ? 1.252   11.213  69.919 1.00 9.98  ? 162 ARG   A CA  1 
ATOM   381  C  C   . ARG   A 1 91  ? 1.169   12.067  71.197 1.00 13.45 ? 162 ARG   A C   1 
ATOM   382  O  O   . ARG   A 1 91  ? 0.233   11.906  71.990 1.00 14.28 ? 162 ARG   A O   1 
ATOM   383  C  CB  . ARG   A 1 91  ? 0.006   11.403  69.040 1.00 9.32  ? 162 ARG   A CB  1 
ATOM   384  C  CG  . ARG   A 1 91  ? 0.135   10.749  67.641 1.00 11.61 ? 162 ARG   A CG  1 
ATOM   385  C  CD  . ARG   A 1 91  ? -1.133  10.901  66.801 1.00 18.50 ? 162 ARG   A CD  1 
ATOM   386  N  NE  . ARG   A 1 91  ? -1.081  10.020  65.623 1.00 20.24 ? 162 ARG   A NE  1 
ATOM   387  C  CZ  . ARG   A 1 91  ? -2.028  9.916   64.693 1.00 25.98 ? 162 ARG   A CZ  1 
ATOM   388  N  NH1 . ARG   A 1 91  ? -3.128  10.654  64.768 1.00 14.12 ? 162 ARG   A NH1 1 
ATOM   389  N  NH2 . ARG   A 1 91  ? -1.878  9.077   63.677 1.00 10.98 ? 162 ARG   A NH2 1 
ATOM   390  N  N   . PHE   A 1 92  ? 2.172   12.912  71.426 1.00 10.88 ? 163 PHE   A N   1 
ATOM   391  C  CA  . PHE   A 1 92  ? 2.238   13.743  72.639 1.00 13.28 ? 163 PHE   A CA  1 
ATOM   392  C  C   . PHE   A 1 92  ? 1.340   14.991  72.538 1.00 20.31 ? 163 PHE   A C   1 
ATOM   393  O  O   . PHE   A 1 92  ? 1.042   15.615  73.564 1.00 20.59 ? 163 PHE   A O   1 
ATOM   394  C  CB  . PHE   A 1 92  ? 3.696   14.136  72.939 1.00 15.91 ? 163 PHE   A CB  1 
ATOM   395  C  CG  . PHE   A 1 92  ? 4.576   13.013  73.429 1.00 17.93 ? 163 PHE   A CG  1 
ATOM   396  C  CD1 . PHE   A 1 92  ? 5.050   12.042  72.549 1.00 20.55 ? 163 PHE   A CD1 1 
ATOM   397  C  CD2 . PHE   A 1 92  ? 4.949   12.934  74.769 1.00 19.75 ? 163 PHE   A CD2 1 
ATOM   398  C  CE1 . PHE   A 1 92  ? 5.853   10.992  73.010 1.00 21.79 ? 163 PHE   A CE1 1 
ATOM   399  C  CE2 . PHE   A 1 92  ? 5.766   11.893  75.224 1.00 22.45 ? 163 PHE   A CE2 1 
ATOM   400  C  CZ  . PHE   A 1 92  ? 6.224   10.939  74.340 1.00 20.87 ? 163 PHE   A CZ  1 
ATOM   401  N  N   . ASN   A 1 93  ? 0.909   15.362  71.312 1.00 17.34 ? 164 ASN   A N   1 
ATOM   402  C  CA  . ASN   A 1 93  ? 0.051   16.536  71.128 1.00 17.08 ? 164 ASN   A CA  1 
ATOM   403  C  C   . ASN   A 1 93  ? -0.933  16.416  69.963 1.00 23.16 ? 164 ASN   A C   1 
ATOM   404  O  O   . ASN   A 1 93  ? -0.740  17.033  68.924 1.00 25.37 ? 164 ASN   A O   1 
ATOM   405  C  CB  . ASN   A 1 93  ? 0.884   17.819  71.011 1.00 17.29 ? 164 ASN   A CB  1 
ATOM   406  C  CG  . ASN   A 1 93  ? 0.099   19.124  71.129 1.00 43.05 ? 164 ASN   A CG  1 
ATOM   407  O  OD1 . ASN   A 1 93  ? -1.136  19.169  71.113 1.00 33.02 ? 164 ASN   A OD1 1 
ATOM   408  N  ND2 . ASN   A 1 93  ? 0.811   20.230  71.238 1.00 43.46 ? 164 ASN   A ND2 1 
ATOM   409  N  N   . GLU   A 1 94  ? -2.008  15.674  70.160 1.00 19.63 ? 165 GLU   A N   1 
ATOM   410  C  CA  . GLU   A 1 94  ? -3.076  15.570  69.177 1.00 19.30 ? 165 GLU   A CA  1 
ATOM   411  C  C   . GLU   A 1 94  ? -4.253  16.239  69.847 1.00 22.45 ? 165 GLU   A C   1 
ATOM   412  O  O   . GLU   A 1 94  ? -4.733  15.729  70.860 1.00 20.57 ? 165 GLU   A O   1 
ATOM   413  C  CB  . GLU   A 1 94  ? -3.394  14.106  68.857 1.00 20.63 ? 165 GLU   A CB  1 
ATOM   414  C  CG  . GLU   A 1 94  ? -4.355  13.932  67.701 1.00 24.24 ? 165 GLU   A CG  1 
ATOM   415  C  CD  . GLU   A 1 94  ? -4.929  12.537  67.609 1.00 31.13 ? 165 GLU   A CD  1 
ATOM   416  O  OE1 . GLU   A 1 94  ? -5.525  12.077  68.606 1.00 20.56 ? 165 GLU   A OE1 1 
ATOM   417  O  OE2 . GLU   A 1 94  ? -4.784  11.902  66.542 1.00 23.87 ? 165 GLU   A OE2 1 
ATOM   418  N  N   . ASN   A 1 95  ? -4.646  17.431  69.356 1.00 20.07 ? 166 ASN   A N   1 
ATOM   419  C  CA  . ASN   A 1 95  ? -5.741  18.233  69.923 1.00 20.56 ? 166 ASN   A CA  1 
ATOM   420  C  C   . ASN   A 1 95  ? -5.518  18.475  71.445 1.00 22.85 ? 166 ASN   A C   1 
ATOM   421  O  O   . ASN   A 1 95  ? -6.448  18.422  72.250 1.00 22.57 ? 166 ASN   A O   1 
ATOM   422  C  CB  . ASN   A 1 95  ? -7.118  17.585  69.569 1.00 23.65 ? 166 ASN   A CB  1 
ATOM   423  C  CG  . ASN   A 1 95  ? -8.352  18.174  70.208 1.00 52.34 ? 166 ASN   A CG  1 
ATOM   424  O  OD1 . ASN   A 1 95  ? -9.132  17.464  70.848 1.00 48.71 ? 166 ASN   A OD1 1 
ATOM   425  N  ND2 . ASN   A 1 95  ? -8.563  19.476  70.053 1.00 45.96 ? 166 ASN   A ND2 1 
ATOM   426  N  N   . ASN   A 1 96  ? -4.245  18.718  71.811 1.00 19.53 ? 167 ASN   A N   1 
ATOM   427  C  CA  . ASN   A 1 96  ? -3.749  19.016  73.169 1.00 19.66 ? 167 ASN   A CA  1 
ATOM   428  C  C   . ASN   A 1 96  ? -3.991  17.907  74.180 1.00 21.56 ? 167 ASN   A C   1 
ATOM   429  O  O   . ASN   A 1 96  ? -4.207  18.183  75.357 1.00 20.61 ? 167 ASN   A O   1 
ATOM   430  C  CB  . ASN   A 1 96  ? -4.289  20.375  73.676 1.00 20.11 ? 167 ASN   A CB  1 
ATOM   431  C  CG  . ASN   A 1 96  ? -3.704  21.507  72.886 1.00 30.86 ? 167 ASN   A CG  1 
ATOM   432  O  OD1 . ASN   A 1 96  ? -2.497  21.755  72.938 1.00 23.81 ? 167 ASN   A OD1 1 
ATOM   433  N  ND2 . ASN   A 1 96  ? -4.530  22.185  72.108 1.00 21.85 ? 167 ASN   A ND2 1 
ATOM   434  N  N   . ARG   A 1 97  ? -3.883  16.645  73.724 1.00 18.57 ? 168 ARG   A N   1 
ATOM   435  C  CA  . ARG   A 1 97  ? -3.998  15.428  74.541 1.00 17.80 ? 168 ARG   A CA  1 
ATOM   436  C  C   . ARG   A 1 97  ? -2.908  14.459  74.071 1.00 19.32 ? 168 ARG   A C   1 
ATOM   437  O  O   . ARG   A 1 97  ? -2.508  14.503  72.904 1.00 18.41 ? 168 ARG   A O   1 
ATOM   438  C  CB  . ARG   A 1 97  ? -5.369  14.728  74.339 1.00 19.26 ? 168 ARG   A CB  1 
ATOM   439  C  CG  . ARG   A 1 97  ? -6.581  15.494  74.836 1.00 34.81 ? 168 ARG   A CG  1 
ATOM   440  C  CD  . ARG   A 1 97  ? -7.628  15.587  73.743 1.00 42.47 ? 168 ARG   A CD  1 
ATOM   441  N  NE  . ARG   A 1 97  ? -8.752  16.449  74.117 1.00 51.49 ? 168 ARG   A NE  1 
ATOM   442  C  CZ  . ARG   A 1 97  ? -9.974  16.007  74.404 1.00 63.95 ? 168 ARG   A CZ  1 
ATOM   443  N  NH1 . ARG   A 1 97  ? -10.248 14.709  74.357 1.00 51.67 ? 168 ARG   A NH1 1 
ATOM   444  N  NH2 . ARG   A 1 97  ? -10.936 16.862  74.725 1.00 50.87 ? 168 ARG   A NH2 1 
ATOM   445  N  N   . ARG   A 1 98  ? -2.520  13.522  74.940 1.00 15.32 ? 169 ARG   A N   1 
ATOM   446  C  CA  . ARG   A 1 98  ? -1.536  12.486  74.616 1.00 15.30 ? 169 ARG   A CA  1 
ATOM   447  C  C   . ARG   A 1 98  ? -2.315  11.209  74.342 1.00 17.09 ? 169 ARG   A C   1 
ATOM   448  O  O   . ARG   A 1 98  ? -3.188  10.836  75.136 1.00 17.38 ? 169 ARG   A O   1 
ATOM   449  C  CB  . ARG   A 1 98  ? -0.519  12.326  75.766 1.00 14.88 ? 169 ARG   A CB  1 
ATOM   450  C  CG  . ARG   A 1 98  ? 0.175   13.666  76.068 1.00 16.00 ? 169 ARG   A CG  1 
ATOM   451  C  CD  . ARG   A 1 98  ? 1.381   13.568  76.982 1.00 11.44 ? 169 ARG   A CD  1 
ATOM   452  N  NE  . ARG   A 1 98  ? 1.091   12.847  78.220 1.00 14.86 ? 169 ARG   A NE  1 
ATOM   453  C  CZ  . ARG   A 1 98  ? 2.018   12.317  79.002 1.00 21.72 ? 169 ARG   A CZ  1 
ATOM   454  N  NH1 . ARG   A 1 98  ? 3.306   12.429  78.687 1.00 19.11 ? 169 ARG   A NH1 1 
ATOM   455  N  NH2 . ARG   A 1 98  ? 1.668   11.651  80.095 1.00 9.91  ? 169 ARG   A NH2 1 
ATOM   456  N  N   . VAL   A 1 99  ? -2.087  10.608  73.172 1.00 13.40 ? 170 VAL   A N   1 
ATOM   457  C  CA  . VAL   A 1 99  ? -2.838  9.416   72.767 1.00 13.10 ? 170 VAL   A CA  1 
ATOM   458  C  C   . VAL   A 1 99  ? -1.913  8.434   72.073 1.00 15.72 ? 170 VAL   A C   1 
ATOM   459  O  O   . VAL   A 1 99  ? -0.989  8.871   71.389 1.00 14.98 ? 170 VAL   A O   1 
ATOM   460  C  CB  . VAL   A 1 99  ? -4.049  9.821   71.858 1.00 17.27 ? 170 VAL   A CB  1 
ATOM   461  C  CG1 . VAL   A 1 99  ? -3.591  10.314  70.482 1.00 17.40 ? 170 VAL   A CG1 1 
ATOM   462  C  CG2 . VAL   A 1 99  ? -5.059  8.687   71.715 1.00 17.41 ? 170 VAL   A CG2 1 
ATOM   463  N  N   . ILE   A 1 100 ? -2.182  7.123   72.206 1.00 12.88 ? 171 ILE   A N   1 
ATOM   464  C  CA  . ILE   A 1 100 ? -1.421  6.104   71.494 1.00 12.86 ? 171 ILE   A CA  1 
ATOM   465  C  C   . ILE   A 1 100 ? -2.331  5.645   70.356 1.00 16.88 ? 171 ILE   A C   1 
ATOM   466  O  O   . ILE   A 1 100 ? -3.461  5.237   70.603 1.00 17.38 ? 171 ILE   A O   1 
ATOM   467  C  CB  . ILE   A 1 100 ? -0.899  4.950   72.390 1.00 16.25 ? 171 ILE   A CB  1 
ATOM   468  C  CG1 . ILE   A 1 100 ? 0.184   5.487   73.386 1.00 16.24 ? 171 ILE   A CG1 1 
ATOM   469  C  CG2 . ILE   A 1 100 ? -0.285  3.847   71.493 1.00 17.34 ? 171 ILE   A CG2 1 
ATOM   470  C  CD1 . ILE   A 1 100 ? 0.184   4.854   74.595 1.00 23.45 ? 171 ILE   A CD1 1 
ATOM   471  N  N   . VAL   A 1 101 ? -1.890  5.844   69.110 1.00 13.72 ? 172 VAL   A N   1 
ATOM   472  C  CA  . VAL   A 1 101 ? -2.677  5.476   67.942 1.00 12.19 ? 172 VAL   A CA  1 
ATOM   473  C  C   . VAL   A 1 101 ? -2.059  4.233   67.326 1.00 13.69 ? 172 VAL   A C   1 
ATOM   474  O  O   . VAL   A 1 101 ? -0.858  4.231   67.041 1.00 11.95 ? 172 VAL   A O   1 
ATOM   475  C  CB  . VAL   A 1 101 ? -2.850  6.625   66.899 1.00 16.98 ? 172 VAL   A CB  1 
ATOM   476  C  CG1 . VAL   A 1 101 ? -3.651  6.146   65.685 1.00 16.35 ? 172 VAL   A CG1 1 
ATOM   477  C  CG2 . VAL   A 1 101 ? -3.521  7.852   67.529 1.00 16.81 ? 172 VAL   A CG2 1 
ATOM   478  N  N   . CYS   A 1 102 ? -2.879  3.175   67.141 1.00 9.12  ? 173 CYS   A N   1 
ATOM   479  C  CA  . CYS   A 1 102 ? -2.443  1.925   66.512 1.00 9.09  ? 173 CYS   A CA  1 
ATOM   480  C  C   . CYS   A 1 102 ? -3.261  1.696   65.252 1.00 12.30 ? 173 CYS   A C   1 
ATOM   481  O  O   . CYS   A 1 102 ? -4.476  1.935   65.243 1.00 11.21 ? 173 CYS   A O   1 
ATOM   482  C  CB  . CYS   A 1 102 ? -2.530  0.735   67.471 1.00 9.29  ? 173 CYS   A CB  1 
ATOM   483  S  SG  . CYS   A 1 102 ? -1.400  0.832   68.899 1.00 12.46 ? 173 CYS   A SG  1 
ATOM   484  N  N   . ASN   A 1 103 ? -2.610  1.205   64.195 1.00 10.79 ? 174 ASN   A N   1 
ATOM   485  C  CA  . ASN   A 1 103 ? -3.284  0.933   62.924 1.00 9.86  ? 174 ASN   A CA  1 
ATOM   486  C  C   . ASN   A 1 103 ? -2.471  -0.041  62.062 1.00 11.56 ? 174 ASN   A C   1 
ATOM   487  O  O   . ASN   A 1 103 ? -1.407  -0.521  62.479 1.00 10.31 ? 174 ASN   A O   1 
ATOM   488  C  CB  . ASN   A 1 103 ? -3.601  2.238   62.157 1.00 9.23  ? 174 ASN   A CB  1 
ATOM   489  C  CG  . ASN   A 1 103 ? -4.844  2.193   61.267 1.00 22.95 ? 174 ASN   A CG  1 
ATOM   490  O  OD1 . ASN   A 1 103 ? -5.422  1.138   60.976 1.00 16.02 ? 174 ASN   A OD1 1 
ATOM   491  N  ND2 . ASN   A 1 103 ? -5.301  3.344   60.831 1.00 12.86 ? 174 ASN   A ND2 1 
ATOM   492  N  N   . THR   A 1 104 ? -3.033  -0.391  60.904 1.00 8.42  ? 175 THR   A N   1 
ATOM   493  C  CA  . THR   A 1 104 ? -2.455  -1.275  59.895 1.00 8.00  ? 175 THR   A CA  1 
ATOM   494  C  C   . THR   A 1 104 ? -2.516  -0.542  58.568 1.00 13.22 ? 175 THR   A C   1 
ATOM   495  O  O   . THR   A 1 104 ? -3.531  0.082   58.276 1.00 13.49 ? 175 THR   A O   1 
ATOM   496  C  CB  . THR   A 1 104 ? -3.231  -2.602  59.843 1.00 9.90  ? 175 THR   A CB  1 
ATOM   497  O  OG1 . THR   A 1 104 ? -2.956  -3.329  61.034 1.00 10.36 ? 175 THR   A OG1 1 
ATOM   498  C  CG2 . THR   A 1 104 ? -2.851  -3.478  58.654 1.00 10.28 ? 175 THR   A CG2 1 
ATOM   499  N  N   . LYS   A 1 105 ? -1.448  -0.667  57.761 1.00 9.20  ? 176 LYS   A N   1 
ATOM   500  C  CA  . LYS   A 1 105 ? -1.369  -0.062  56.437 1.00 7.16  ? 176 LYS   A CA  1 
ATOM   501  C  C   . LYS   A 1 105 ? -1.297  -1.177  55.393 1.00 12.93 ? 176 LYS   A C   1 
ATOM   502  O  O   . LYS   A 1 105 ? -0.379  -1.981  55.424 1.00 12.60 ? 176 LYS   A O   1 
ATOM   503  C  CB  . LYS   A 1 105 ? -0.151  0.881   56.350 1.00 6.53  ? 176 LYS   A CB  1 
ATOM   504  C  CG  . LYS   A 1 105 ? -0.181  1.843   55.165 1.00 15.51 ? 176 LYS   A CG  1 
ATOM   505  C  CD  . LYS   A 1 105 ? 0.997   2.806   55.306 1.00 17.64 ? 176 LYS   A CD  1 
ATOM   506  C  CE  . LYS   A 1 105 ? 1.495   3.338   54.000 1.00 33.82 ? 176 LYS   A CE  1 
ATOM   507  N  NZ  . LYS   A 1 105 ? 2.794   4.036   54.162 1.00 36.34 ? 176 LYS   A NZ  1 
ATOM   508  N  N   . LEU   A 1 106 ? -2.308  -1.263  54.518 1.00 12.69 ? 177 LEU   A N   1 
ATOM   509  C  CA  . LEU   A 1 106 ? -2.397  -2.303  53.488 1.00 11.48 ? 177 LEU   A CA  1 
ATOM   510  C  C   . LEU   A 1 106 ? -2.545  -1.635  52.164 1.00 15.61 ? 177 LEU   A C   1 
ATOM   511  O  O   . LEU   A 1 106 ? -3.431  -0.790  52.008 1.00 14.44 ? 177 LEU   A O   1 
ATOM   512  C  CB  . LEU   A 1 106 ? -3.582  -3.266  53.730 1.00 11.63 ? 177 LEU   A CB  1 
ATOM   513  C  CG  . LEU   A 1 106 ? -3.570  -4.066  55.033 1.00 16.42 ? 177 LEU   A CG  1 
ATOM   514  C  CD1 . LEU   A 1 106 ? -4.906  -4.769  55.242 1.00 17.61 ? 177 LEU   A CD1 1 
ATOM   515  C  CD2 . LEU   A 1 106 ? -2.442  -5.097  55.043 1.00 17.07 ? 177 LEU   A CD2 1 
ATOM   516  N  N   . ASP   A 1 107 ? -1.656  -1.980  51.219 1.00 11.98 ? 178 ASP   A N   1 
ATOM   517  C  CA  . ASP   A 1 107 ? -1.640  -1.387  49.871 1.00 13.31 ? 178 ASP   A CA  1 
ATOM   518  C  C   . ASP   A 1 107 ? -1.656  0.152   49.912 1.00 17.93 ? 178 ASP   A C   1 
ATOM   519  O  O   . ASP   A 1 107 ? -2.393  0.812   49.171 1.00 16.53 ? 178 ASP   A O   1 
ATOM   520  C  CB  . ASP   A 1 107 ? -2.751  -1.976  48.998 1.00 16.62 ? 178 ASP   A CB  1 
ATOM   521  C  CG  . ASP   A 1 107 ? -2.509  -3.426  48.642 1.00 28.11 ? 178 ASP   A CG  1 
ATOM   522  O  OD1 . ASP   A 1 107 ? -1.321  -3.814  48.488 1.00 28.56 ? 178 ASP   A OD1 1 
ATOM   523  O  OD2 . ASP   A 1 107 ? -3.497  -4.176  48.515 1.00 34.53 ? 178 ASP   A OD2 1 
ATOM   524  N  N   . ASN   A 1 108 ? -0.859  0.701   50.857 1.00 15.43 ? 179 ASN   A N   1 
ATOM   525  C  CA  . ASN   A 1 108 ? -0.679  2.125   51.109 1.00 16.24 ? 179 ASN   A CA  1 
ATOM   526  C  C   . ASN   A 1 108 ? -1.900  2.828   51.672 1.00 19.89 ? 179 ASN   A C   1 
ATOM   527  O  O   . ASN   A 1 108 ? -1.932  4.062   51.660 1.00 22.33 ? 179 ASN   A O   1 
ATOM   528  C  CB  . ASN   A 1 108 ? -0.171  2.839   49.840 1.00 15.14 ? 179 ASN   A CB  1 
ATOM   529  C  CG  . ASN   A 1 108 ? 1.176   3.484   49.999 1.00 26.00 ? 179 ASN   A CG  1 
ATOM   530  O  OD1 . ASN   A 1 108 ? 2.059   3.018   50.739 1.00 19.32 ? 179 ASN   A OD1 1 
ATOM   531  N  ND2 . ASN   A 1 108 ? 1.351   4.567   49.280 1.00 14.32 ? 179 ASN   A ND2 1 
ATOM   532  N  N   . ASN   A 1 109 ? -2.882  2.073   52.200 1.00 15.21 ? 180 ASN   A N   1 
ATOM   533  C  CA  . ASN   A 1 109 ? -4.105  2.626   52.810 1.00 15.01 ? 180 ASN   A CA  1 
ATOM   534  C  C   . ASN   A 1 109 ? -4.178  2.304   54.314 1.00 16.72 ? 180 ASN   A C   1 
ATOM   535  O  O   . ASN   A 1 109 ? -4.120  1.134   54.698 1.00 16.21 ? 180 ASN   A O   1 
ATOM   536  C  CB  . ASN   A 1 109 ? -5.358  2.057   52.133 1.00 17.59 ? 180 ASN   A CB  1 
ATOM   537  C  CG  . ASN   A 1 109 ? -5.550  2.429   50.688 1.00 36.90 ? 180 ASN   A CG  1 
ATOM   538  O  OD1 . ASN   A 1 109 ? -5.524  3.613   50.299 1.00 25.98 ? 180 ASN   A OD1 1 
ATOM   539  N  ND2 . ASN   A 1 109 ? -5.787  1.410   49.869 1.00 22.70 ? 180 ASN   A ND2 1 
ATOM   540  N  N   . TRP   A 1 110 ? -4.363  3.327   55.157 1.00 13.98 ? 181 TRP   A N   1 
ATOM   541  C  CA  . TRP   A 1 110 ? -4.522  3.112   56.597 1.00 13.55 ? 181 TRP   A CA  1 
ATOM   542  C  C   . TRP   A 1 110 ? -5.941  2.597   56.884 1.00 17.92 ? 181 TRP   A C   1 
ATOM   543  O  O   . TRP   A 1 110 ? -6.898  3.040   56.244 1.00 16.99 ? 181 TRP   A O   1 
ATOM   544  C  CB  . TRP   A 1 110 ? -4.207  4.404   57.413 1.00 11.39 ? 181 TRP   A CB  1 
ATOM   545  C  CG  . TRP   A 1 110 ? -2.743  4.754   57.450 1.00 11.94 ? 181 TRP   A CG  1 
ATOM   546  C  CD1 . TRP   A 1 110 ? -2.134  5.785   56.801 1.00 14.40 ? 181 TRP   A CD1 1 
ATOM   547  C  CD2 . TRP   A 1 110 ? -1.706  4.066   58.169 1.00 11.92 ? 181 TRP   A CD2 1 
ATOM   548  N  NE1 . TRP   A 1 110 ? -0.790  5.801   57.088 1.00 13.52 ? 181 TRP   A NE1 1 
ATOM   549  C  CE2 . TRP   A 1 110 ? -0.505  4.785   57.962 1.00 15.06 ? 181 TRP   A CE2 1 
ATOM   550  C  CE3 . TRP   A 1 110 ? -1.687  2.960   59.035 1.00 13.39 ? 181 TRP   A CE3 1 
ATOM   551  C  CZ2 . TRP   A 1 110 ? 0.715   4.384   58.518 1.00 14.32 ? 181 TRP   A CZ2 1 
ATOM   552  C  CZ3 . TRP   A 1 110 ? -0.486  2.595   59.627 1.00 14.27 ? 181 TRP   A CZ3 1 
ATOM   553  C  CH2 . TRP   A 1 110 ? 0.703   3.283   59.343 1.00 14.92 ? 181 TRP   A CH2 1 
ATOM   554  N  N   . GLY   A 1 111 ? -6.057  1.658   57.828 1.00 15.47 ? 182 GLY   A N   1 
ATOM   555  C  CA  . GLY   A 1 111 ? -7.333  1.057   58.205 1.00 15.64 ? 182 GLY   A CA  1 
ATOM   556  C  C   . GLY   A 1 111 ? -8.028  1.855   59.290 1.00 19.97 ? 182 GLY   A C   1 
ATOM   557  O  O   . GLY   A 1 111 ? -7.806  3.061   59.419 1.00 18.54 ? 182 GLY   A O   1 
ATOM   558  N  N   . ARG   A 1 112 ? -8.810  1.167   60.112 1.00 16.95 ? 183 ARG   A N   1 
ATOM   559  C  CA  . ARG   A 1 112 ? -9.550  1.707   61.239 1.00 17.81 ? 183 ARG   A CA  1 
ATOM   560  C  C   . ARG   A 1 112 ? -8.602  1.787   62.438 1.00 20.27 ? 183 ARG   A C   1 
ATOM   561  O  O   . ARG   A 1 112 ? -7.971  0.790   62.790 1.00 20.70 ? 183 ARG   A O   1 
ATOM   562  C  CB  . ARG   A 1 112 ? -10.720 0.768   61.533 1.00 21.07 ? 183 ARG   A CB  1 
ATOM   563  C  CG  . ARG   A 1 112 ? -11.739 1.264   62.526 1.00 41.69 ? 183 ARG   A CG  1 
ATOM   564  C  CD  . ARG   A 1 112 ? -12.490 0.088   63.136 1.00 58.76 ? 183 ARG   A CD  1 
ATOM   565  N  NE  . ARG   A 1 112 ? -13.103 -0.800  62.136 1.00 74.62 ? 183 ARG   A NE  1 
ATOM   566  C  CZ  . ARG   A 1 112 ? -14.244 -0.547  61.501 1.00 91.45 ? 183 ARG   A CZ  1 
ATOM   567  N  NH1 . ARG   A 1 112 ? -14.905 0.578   61.734 1.00 82.17 ? 183 ARG   A NH1 1 
ATOM   568  N  NH2 . ARG   A 1 112 ? -14.721 -1.410  60.615 1.00 75.97 ? 183 ARG   A NH2 1 
ATOM   569  N  N   . GLU   A 1 113 ? -8.479  2.985   63.039 1.00 14.01 ? 184 GLU   A N   1 
ATOM   570  C  CA  . GLU   A 1 113 ? -7.551  3.208   64.156 1.00 13.07 ? 184 GLU   A CA  1 
ATOM   571  C  C   . GLU   A 1 113 ? -8.032  2.595   65.451 1.00 17.75 ? 184 GLU   A C   1 
ATOM   572  O  O   . GLU   A 1 113 ? -9.244  2.533   65.693 1.00 17.31 ? 184 GLU   A O   1 
ATOM   573  C  CB  . GLU   A 1 113 ? -7.298  4.710   64.382 1.00 12.81 ? 184 GLU   A CB  1 
ATOM   574  C  CG  . GLU   A 1 113 ? -6.605  5.413   63.224 1.00 20.71 ? 184 GLU   A CG  1 
ATOM   575  C  CD  . GLU   A 1 113 ? -6.306  6.894   63.416 1.00 29.63 ? 184 GLU   A CD  1 
ATOM   576  O  OE1 . GLU   A 1 113 ? -7.097  7.580   64.103 1.00 25.41 ? 184 GLU   A OE1 1 
ATOM   577  O  OE2 . GLU   A 1 113 ? -5.275  7.370   62.884 1.00 15.32 ? 184 GLU   A OE2 1 
ATOM   578  N  N   . GLU   A 1 114 ? -7.076  2.159   66.299 1.00 14.39 ? 185 GLU   A N   1 
ATOM   579  C  CA  . GLU   A 1 114 ? -7.361  1.685   67.653 1.00 14.31 ? 185 GLU   A CA  1 
ATOM   580  C  C   . GLU   A 1 114 ? -6.621  2.632   68.584 1.00 18.45 ? 185 GLU   A C   1 
ATOM   581  O  O   . GLU   A 1 114 ? -5.392  2.792   68.470 1.00 18.60 ? 185 GLU   A O   1 
ATOM   582  C  CB  . GLU   A 1 114 ? -6.961  0.220   67.871 1.00 16.04 ? 185 GLU   A CB  1 
ATOM   583  C  CG  . GLU   A 1 114 ? -7.812  -0.723  67.042 1.00 21.04 ? 185 GLU   A CG  1 
ATOM   584  C  CD  . GLU   A 1 114 ? -7.501  -2.195  67.208 1.00 29.76 ? 185 GLU   A CD  1 
ATOM   585  O  OE1 . GLU   A 1 114 ? -7.011  -2.592  68.289 1.00 19.88 ? 185 GLU   A OE1 1 
ATOM   586  O  OE2 . GLU   A 1 114 ? -7.766  -2.958  66.252 1.00 13.70 ? 185 GLU   A OE2 1 
ATOM   587  N  N   . ARG   A 1 115 ? -7.364  3.285   69.482 1.00 15.42 ? 186 ARG   A N   1 
ATOM   588  C  CA  . ARG   A 1 115 ? -6.783  4.310   70.357 1.00 15.27 ? 186 ARG   A CA  1 
ATOM   589  C  C   . ARG   A 1 115 ? -6.743  3.958   71.839 1.00 21.37 ? 186 ARG   A C   1 
ATOM   590  O  O   . ARG   A 1 115 ? -7.626  3.269   72.364 1.00 22.23 ? 186 ARG   A O   1 
ATOM   591  C  CB  . ARG   A 1 115 ? -7.485  5.657   70.139 1.00 13.07 ? 186 ARG   A CB  1 
ATOM   592  C  CG  . ARG   A 1 115 ? -7.211  6.232   68.755 1.00 17.92 ? 186 ARG   A CG  1 
ATOM   593  C  CD  . ARG   A 1 115 ? -8.267  7.228   68.314 1.00 21.30 ? 186 ARG   A CD  1 
ATOM   594  N  NE  . ARG   A 1 115 ? -7.815  7.940   67.112 1.00 30.80 ? 186 ARG   A NE  1 
ATOM   595  C  CZ  . ARG   A 1 115 ? -7.101  9.061   67.133 1.00 35.58 ? 186 ARG   A CZ  1 
ATOM   596  N  NH1 . ARG   A 1 115 ? -6.795  9.641   68.288 1.00 25.02 ? 186 ARG   A NH1 1 
ATOM   597  N  NH2 . ARG   A 1 115 ? -6.699  9.616   66.002 1.00 18.27 ? 186 ARG   A NH2 1 
ATOM   598  N  N   . GLN   A 1 116 ? -5.700  4.456   72.510 1.00 18.22 ? 187 GLN   A N   1 
ATOM   599  C  CA  . GLN   A 1 116 ? -5.500  4.244   73.939 1.00 18.49 ? 187 GLN   A CA  1 
ATOM   600  C  C   . GLN   A 1 116 ? -5.069  5.564   74.582 1.00 21.18 ? 187 GLN   A C   1 
ATOM   601  O  O   . GLN   A 1 116 ? -4.040  6.125   74.199 1.00 20.70 ? 187 GLN   A O   1 
ATOM   602  C  CB  . GLN   A 1 116 ? -4.469  3.114   74.177 1.00 20.24 ? 187 GLN   A CB  1 
ATOM   603  C  CG  . GLN   A 1 116 ? -4.081  2.855   75.627 1.00 23.27 ? 187 GLN   A CG  1 
ATOM   604  C  CD  . GLN   A 1 116 ? -5.229  2.292   76.424 1.00 36.17 ? 187 GLN   A CD  1 
ATOM   605  O  OE1 . GLN   A 1 116 ? -5.997  3.030   77.035 1.00 29.48 ? 187 GLN   A OE1 1 
ATOM   606  N  NE2 . GLN   A 1 116 ? -5.376  0.975   76.432 1.00 30.11 ? 187 GLN   A NE2 1 
ATOM   607  N  N   . SER   A 1 117 ? -5.885  6.060   75.548 1.00 17.49 ? 188 SER   A N   1 
ATOM   608  C  CA  . SER   A 1 117 ? -5.631  7.278   76.305 1.00 17.33 ? 188 SER   A CA  1 
ATOM   609  C  C   . SER   A 1 117 ? -4.588  7.037   77.388 1.00 18.88 ? 188 SER   A C   1 
ATOM   610  O  O   . SER   A 1 117 ? -3.921  7.987   77.790 1.00 18.63 ? 188 SER   A O   1 
ATOM   611  C  CB  . SER   A 1 117 ? -6.920  7.814   76.922 1.00 21.71 ? 188 SER   A CB  1 
ATOM   612  O  OG  . SER   A 1 117 ? -7.799  8.263   75.905 1.00 38.10 ? 188 SER   A OG  1 
ATOM   613  N  N   . VAL   A 1 118 ? -4.430  5.774   77.850 1.00 15.57 ? 189 VAL   A N   1 
ATOM   614  C  CA  . VAL   A 1 118 ? -3.397  5.447   78.843 1.00 15.09 ? 189 VAL   A CA  1 
ATOM   615  C  C   . VAL   A 1 118 ? -2.045  5.656   78.130 1.00 15.91 ? 189 VAL   A C   1 
ATOM   616  O  O   . VAL   A 1 118 ? -1.787  5.064   77.083 1.00 14.39 ? 189 VAL   A O   1 
ATOM   617  C  CB  . VAL   A 1 118 ? -3.580  4.061   79.510 1.00 19.31 ? 189 VAL   A CB  1 
ATOM   618  C  CG1 . VAL   A 1 118 ? -2.462  3.776   80.511 1.00 18.98 ? 189 VAL   A CG1 1 
ATOM   619  C  CG2 . VAL   A 1 118 ? -4.941  3.970   80.203 1.00 19.08 ? 189 VAL   A CG2 1 
ATOM   620  N  N   . PHE   A 1 119 ? -1.267  6.605   78.637 1.00 11.62 ? 190 PHE   A N   1 
ATOM   621  C  CA  . PHE   A 1 119 ? -0.045  7.090   78.026 1.00 10.66 ? 190 PHE   A CA  1 
ATOM   622  C  C   . PHE   A 1 119 ? 1.122   7.036   79.013 1.00 15.37 ? 190 PHE   A C   1 
ATOM   623  O  O   . PHE   A 1 119 ? 1.330   7.971   79.784 1.00 15.39 ? 190 PHE   A O   1 
ATOM   624  C  CB  . PHE   A 1 119 ? -0.293  8.516   77.519 1.00 11.84 ? 190 PHE   A CB  1 
ATOM   625  C  CG  . PHE   A 1 119 ? 0.658   8.962   76.442 1.00 12.86 ? 190 PHE   A CG  1 
ATOM   626  C  CD1 . PHE   A 1 119 ? 1.840   9.618   76.767 1.00 14.15 ? 190 PHE   A CD1 1 
ATOM   627  C  CD2 . PHE   A 1 119 ? 0.356   8.764   75.100 1.00 15.36 ? 190 PHE   A CD2 1 
ATOM   628  C  CE1 . PHE   A 1 119 ? 2.720   10.038  75.767 1.00 14.63 ? 190 PHE   A CE1 1 
ATOM   629  C  CE2 . PHE   A 1 119 ? 1.218   9.220   74.095 1.00 16.87 ? 190 PHE   A CE2 1 
ATOM   630  C  CZ  . PHE   A 1 119 ? 2.393   9.858   74.437 1.00 14.42 ? 190 PHE   A CZ  1 
ATOM   631  N  N   . PRO   A 1 120 ? 1.920   5.949   78.958 1.00 11.80 ? 191 PRO   A N   1 
ATOM   632  C  CA  . PRO   A 1 120 ? 3.021   5.785   79.922 1.00 11.45 ? 191 PRO   A CA  1 
ATOM   633  C  C   . PRO   A 1 120 ? 4.342   6.495   79.587 1.00 15.03 ? 191 PRO   A C   1 
ATOM   634  O  O   . PRO   A 1 120 ? 5.285   6.339   80.344 1.00 14.50 ? 191 PRO   A O   1 
ATOM   635  C  CB  . PRO   A 1 120 ? 3.200   4.261   79.975 1.00 13.18 ? 191 PRO   A CB  1 
ATOM   636  C  CG  . PRO   A 1 120 ? 2.871   3.816   78.569 1.00 16.40 ? 191 PRO   A CG  1 
ATOM   637  C  CD  . PRO   A 1 120 ? 1.779   4.764   78.089 1.00 12.84 ? 191 PRO   A CD  1 
ATOM   638  N  N   . PHE   A 1 121 ? 4.431   7.256   78.482 1.00 10.71 ? 192 PHE   A N   1 
ATOM   639  C  CA  . PHE   A 1 121 ? 5.692   7.919   78.114 1.00 10.51 ? 192 PHE   A CA  1 
ATOM   640  C  C   . PHE   A 1 121 ? 5.769   9.314   78.675 1.00 14.53 ? 192 PHE   A C   1 
ATOM   641  O  O   . PHE   A 1 121 ? 4.751   9.994   78.752 1.00 13.84 ? 192 PHE   A O   1 
ATOM   642  C  CB  . PHE   A 1 121 ? 5.869   7.997   76.574 1.00 12.20 ? 192 PHE   A CB  1 
ATOM   643  C  CG  . PHE   A 1 121 ? 5.846   6.642   75.920 1.00 12.82 ? 192 PHE   A CG  1 
ATOM   644  C  CD1 . PHE   A 1 121 ? 7.010   5.885   75.813 1.00 14.95 ? 192 PHE   A CD1 1 
ATOM   645  C  CD2 . PHE   A 1 121 ? 4.652   6.098   75.442 1.00 13.32 ? 192 PHE   A CD2 1 
ATOM   646  C  CE1 . PHE   A 1 121 ? 6.986   4.622   75.202 1.00 14.41 ? 192 PHE   A CE1 1 
ATOM   647  C  CE2 . PHE   A 1 121 ? 4.629   4.828   74.865 1.00 14.72 ? 192 PHE   A CE2 1 
ATOM   648  C  CZ  . PHE   A 1 121 ? 5.794   4.095   74.758 1.00 13.02 ? 192 PHE   A CZ  1 
ATOM   649  N  N   . GLU   A 1 122 ? 6.993   9.763   79.009 1.00 11.79 ? 193 GLU   A N   1 
ATOM   650  C  CA  . GLU   A 1 122 ? 7.258   11.112  79.515 1.00 10.97 ? 193 GLU   A CA  1 
ATOM   651  C  C   . GLU   A 1 122 ? 8.472   11.690  78.825 1.00 15.07 ? 193 GLU   A C   1 
ATOM   652  O  O   . GLU   A 1 122 ? 9.493   11.009  78.712 1.00 13.84 ? 193 GLU   A O   1 
ATOM   653  C  CB  . GLU   A 1 122 ? 7.461   11.118  81.051 1.00 12.45 ? 193 GLU   A CB  1 
ATOM   654  C  CG  . GLU   A 1 122 ? 6.230   10.752  81.873 1.00 19.16 ? 193 GLU   A CG  1 
ATOM   655  C  CD  . GLU   A 1 122 ? 5.051   11.706  81.803 1.00 18.20 ? 193 GLU   A CD  1 
ATOM   656  O  OE1 . GLU   A 1 122 ? 5.272   12.935  81.739 1.00 16.82 ? 193 GLU   A OE1 1 
ATOM   657  O  OE2 . GLU   A 1 122 ? 3.898   11.221  81.813 1.00 15.90 ? 193 GLU   A OE2 1 
ATOM   658  N  N   . SER   A 1 123 ? 8.364   12.946  78.338 1.00 12.75 ? 194 SER   A N   1 
ATOM   659  C  CA  . SER   A 1 123 ? 9.469   13.646  77.687 1.00 13.20 ? 194 SER   A CA  1 
ATOM   660  C  C   . SER   A 1 123 ? 10.745  13.653  78.581 1.00 19.14 ? 194 SER   A C   1 
ATOM   661  O  O   . SER   A 1 123 ? 10.652  13.842  79.797 1.00 17.73 ? 194 SER   A O   1 
ATOM   662  C  CB  . SER   A 1 123 ? 9.038   15.057  77.285 1.00 19.05 ? 194 SER   A CB  1 
ATOM   663  O  OG  . SER   A 1 123 ? 8.024   14.989  76.288 1.00 26.86 ? 194 SER   A OG  1 
ATOM   664  N  N   . GLY   A 1 124 ? 11.895  13.335  77.991 1.00 15.14 ? 195 GLY   A N   1 
ATOM   665  C  CA  . GLY   A 1 124 ? 13.162  13.305  78.717 1.00 14.46 ? 195 GLY   A CA  1 
ATOM   666  C  C   . GLY   A 1 124 ? 13.452  12.059  79.541 1.00 16.46 ? 195 GLY   A C   1 
ATOM   667  O  O   . GLY   A 1 124 ? 14.548  11.933  80.073 1.00 16.32 ? 195 GLY   A O   1 
ATOM   668  N  N   . LYS   A 1 125 ? 12.510  11.115  79.624 1.00 13.39 ? 196 LYS   A N   1 
ATOM   669  C  CA  . LYS   A 1 125 ? 12.637  9.916   80.455 1.00 12.22 ? 196 LYS   A CA  1 
ATOM   670  C  C   . LYS   A 1 125 ? 13.023  8.631   79.691 1.00 15.03 ? 196 LYS   A C   1 
ATOM   671  O  O   . LYS   A 1 125 ? 12.555  8.406   78.568 1.00 13.52 ? 196 LYS   A O   1 
ATOM   672  C  CB  . LYS   A 1 125 ? 11.334  9.657   81.244 1.00 12.83 ? 196 LYS   A CB  1 
ATOM   673  C  CG  . LYS   A 1 125 ? 11.055  10.660  82.373 1.00 10.73 ? 196 LYS   A CG  1 
ATOM   674  C  CD  . LYS   A 1 125 ? 10.103  10.110  83.438 1.00 10.94 ? 196 LYS   A CD  1 
ATOM   675  C  CE  . LYS   A 1 125 ? 9.361   11.225  84.162 1.00 10.30 ? 196 LYS   A CE  1 
ATOM   676  N  NZ  . LYS   A 1 125 ? 8.631   10.739  85.369 1.00 10.48 ? 196 LYS   A NZ  1 
ATOM   677  N  N   . PRO   A 1 126 ? 13.858  7.776   80.334 1.00 13.45 ? 197 PRO   A N   1 
ATOM   678  C  CA  . PRO   A 1 126 ? 14.181  6.469   79.739 1.00 13.54 ? 197 PRO   A CA  1 
ATOM   679  C  C   . PRO   A 1 126 ? 12.959  5.534   79.740 1.00 16.19 ? 197 PRO   A C   1 
ATOM   680  O  O   . PRO   A 1 126 ? 12.180  5.521   80.696 1.00 14.95 ? 197 PRO   A O   1 
ATOM   681  C  CB  . PRO   A 1 126 ? 15.301  5.931   80.635 1.00 15.36 ? 197 PRO   A CB  1 
ATOM   682  C  CG  . PRO   A 1 126 ? 15.139  6.622   81.930 1.00 18.57 ? 197 PRO   A CG  1 
ATOM   683  C  CD  . PRO   A 1 126 ? 14.493  7.945   81.664 1.00 14.43 ? 197 PRO   A CD  1 
ATOM   684  N  N   . PHE   A 1 127 ? 12.772  4.782   78.658 1.00 12.34 ? 198 PHE   A N   1 
ATOM   685  C  CA  . PHE   A 1 127 ? 11.638  3.853   78.580 1.00 11.22 ? 198 PHE   A CA  1 
ATOM   686  C  C   . PHE   A 1 127 ? 12.068  2.453   78.164 1.00 13.63 ? 198 PHE   A C   1 
ATOM   687  O  O   . PHE   A 1 127 ? 13.140  2.260   77.603 1.00 13.69 ? 198 PHE   A O   1 
ATOM   688  C  CB  . PHE   A 1 127 ? 10.584  4.371   77.567 1.00 12.24 ? 198 PHE   A CB  1 
ATOM   689  C  CG  . PHE   A 1 127 ? 11.104  4.471   76.141 1.00 12.47 ? 198 PHE   A CG  1 
ATOM   690  C  CD1 . PHE   A 1 127 ? 11.167  3.348   75.321 1.00 14.80 ? 198 PHE   A CD1 1 
ATOM   691  C  CD2 . PHE   A 1 127 ? 11.595  5.668   75.649 1.00 13.86 ? 198 PHE   A CD2 1 
ATOM   692  C  CE1 . PHE   A 1 127 ? 11.697  3.431   74.030 1.00 16.12 ? 198 PHE   A CE1 1 
ATOM   693  C  CE2 . PHE   A 1 127 ? 12.112  5.753   74.357 1.00 16.74 ? 198 PHE   A CE2 1 
ATOM   694  C  CZ  . PHE   A 1 127 ? 12.157  4.636   73.549 1.00 14.52 ? 198 PHE   A CZ  1 
ATOM   695  N  N   . LYS   A 1 128 ? 11.162  1.497   78.322 1.00 11.27 ? 199 LYS   A N   1 
ATOM   696  C  CA  . LYS   A 1 128 ? 11.332  0.157   77.760 1.00 11.03 ? 199 LYS   A CA  1 
ATOM   697  C  C   . LYS   A 1 128 ? 10.000  -0.231  77.152 1.00 13.31 ? 199 LYS   A C   1 
ATOM   698  O  O   . LYS   A 1 128 ? 8.991   -0.241  77.848 1.00 12.46 ? 199 LYS   A O   1 
ATOM   699  C  CB  . LYS   A 1 128 ? 11.770  -0.874  78.806 1.00 14.25 ? 199 LYS   A CB  1 
ATOM   700  C  CG  . LYS   A 1 128 ? 11.814  -2.324  78.274 1.00 16.73 ? 199 LYS   A CG  1 
ATOM   701  C  CD  . LYS   A 1 128 ? 12.284  -3.336  79.345 1.00 16.06 ? 199 LYS   A CD  1 
ATOM   702  C  CE  . LYS   A 1 128 ? 11.355  -3.522  80.532 1.00 16.92 ? 199 LYS   A CE  1 
ATOM   703  N  NZ  . LYS   A 1 128 ? 11.943  -4.417  81.558 1.00 20.64 ? 199 LYS   A NZ  1 
ATOM   704  N  N   . ILE   A 1 129 ? 9.986   -0.523  75.850 1.00 10.24 ? 200 ILE   A N   1 
ATOM   705  C  CA  . ILE   A 1 129 ? 8.763   -1.027  75.217 1.00 9.47  ? 200 ILE   A CA  1 
ATOM   706  C  C   . ILE   A 1 129 ? 9.013   -2.500  74.919 1.00 13.17 ? 200 ILE   A C   1 
ATOM   707  O  O   . ILE   A 1 129 ? 10.038  -2.855  74.324 1.00 12.88 ? 200 ILE   A O   1 
ATOM   708  C  CB  . ILE   A 1 129 ? 8.365   -0.264  73.905 1.00 11.88 ? 200 ILE   A CB  1 
ATOM   709  C  CG1 . ILE   A 1 129 ? 8.240   1.263   74.100 1.00 11.48 ? 200 ILE   A CG1 1 
ATOM   710  C  CG2 . ILE   A 1 129 ? 7.046   -0.859  73.316 1.00 13.14 ? 200 ILE   A CG2 1 
ATOM   711  C  CD1 . ILE   A 1 129 ? 8.264   2.097   72.740 1.00 13.30 ? 200 ILE   A CD1 1 
ATOM   712  N  N   . GLN   A 1 130 ? 8.082   -3.352  75.328 1.00 10.51 ? 201 GLN   A N   1 
ATOM   713  C  CA  . GLN   A 1 130 ? 8.136   -4.775  75.020 1.00 9.91  ? 201 GLN   A CA  1 
ATOM   714  C  C   . GLN   A 1 130 ? 6.927   -5.187  74.198 1.00 12.46 ? 201 GLN   A C   1 
ATOM   715  O  O   . GLN   A 1 130 ? 5.784   -5.004  74.621 1.00 11.17 ? 201 GLN   A O   1 
ATOM   716  C  CB  . GLN   A 1 130 ? 8.294   -5.616  76.292 1.00 10.95 ? 201 GLN   A CB  1 
ATOM   717  C  CG  . GLN   A 1 130 ? 9.718   -5.517  76.875 1.00 19.41 ? 201 GLN   A CG  1 
ATOM   718  C  CD  . GLN   A 1 130 ? 9.854   -6.250  78.183 1.00 29.54 ? 201 GLN   A CD  1 
ATOM   719  O  OE1 . GLN   A 1 130 ? 9.061   -6.064  79.116 1.00 27.22 ? 201 GLN   A OE1 1 
ATOM   720  N  NE2 . GLN   A 1 130 ? 10.856  -7.112  78.273 1.00 18.21 ? 201 GLN   A NE2 1 
ATOM   721  N  N   . VAL   A 1 131 ? 7.189   -5.711  72.992 1.00 10.12 ? 202 VAL   A N   1 
ATOM   722  C  CA  . VAL   A 1 131 ? 6.145   -6.206  72.111 1.00 8.01  ? 202 VAL   A CA  1 
ATOM   723  C  C   . VAL   A 1 131 ? 6.235   -7.723  72.120 1.00 10.27 ? 202 VAL   A C   1 
ATOM   724  O  O   . VAL   A 1 131 ? 7.202   -8.303  71.606 1.00 8.25  ? 202 VAL   A O   1 
ATOM   725  C  CB  . VAL   A 1 131 ? 6.204   -5.617  70.683 1.00 10.76 ? 202 VAL   A CB  1 
ATOM   726  C  CG1 . VAL   A 1 131 ? 5.013   -6.114  69.837 1.00 10.27 ? 202 VAL   A CG1 1 
ATOM   727  C  CG2 . VAL   A 1 131 ? 6.253   -4.086  70.720 1.00 9.43  ? 202 VAL   A CG2 1 
ATOM   728  N  N   . LEU   A 1 132 ? 5.230   -8.364  72.741 1.00 8.69  ? 203 LEU   A N   1 
ATOM   729  C  CA  . LEU   A 1 132 ? 5.150   -9.818  72.807 1.00 10.41 ? 203 LEU   A CA  1 
ATOM   730  C  C   . LEU   A 1 132 ? 4.167   -10.323 71.754 1.00 11.30 ? 203 LEU   A C   1 
ATOM   731  O  O   . LEU   A 1 132 ? 2.981   -9.962  71.774 1.00 9.58  ? 203 LEU   A O   1 
ATOM   732  C  CB  . LEU   A 1 132 ? 4.804   -10.302 74.233 1.00 11.46 ? 203 LEU   A CB  1 
ATOM   733  C  CG  . LEU   A 1 132 ? 4.763   -11.829 74.477 1.00 16.80 ? 203 LEU   A CG  1 
ATOM   734  C  CD1 . LEU   A 1 132 ? 6.119   -12.483 74.183 1.00 18.07 ? 203 LEU   A CD1 1 
ATOM   735  C  CD2 . LEU   A 1 132 ? 4.365   -12.118 75.921 1.00 20.70 ? 203 LEU   A CD2 1 
ATOM   736  N  N   . VAL   A 1 133 ? 4.698   -11.094 70.780 1.00 8.97  ? 204 VAL   A N   1 
ATOM   737  C  CA  . VAL   A 1 133 ? 3.937   -11.671 69.696 1.00 9.51  ? 204 VAL   A CA  1 
ATOM   738  C  C   . VAL   A 1 133 ? 3.170   -12.874 70.301 1.00 14.13 ? 204 VAL   A C   1 
ATOM   739  O  O   . VAL   A 1 133 ? 3.777   -13.754 70.916 1.00 15.73 ? 204 VAL   A O   1 
ATOM   740  C  CB  . VAL   A 1 133 ? 4.824   -12.084 68.478 1.00 13.54 ? 204 VAL   A CB  1 
ATOM   741  C  CG1 . VAL   A 1 133 ? 3.971   -12.553 67.300 1.00 13.53 ? 204 VAL   A CG1 1 
ATOM   742  C  CG2 . VAL   A 1 133 ? 5.759   -10.935 68.034 1.00 13.37 ? 204 VAL   A CG2 1 
ATOM   743  N  N   . GLU   A 1 134 ? 1.835   -12.842 70.201 1.00 10.35 ? 205 GLU   A N   1 
ATOM   744  C  CA  . GLU   A 1 134 ? 0.955   -13.900 70.693 1.00 10.71 ? 205 GLU   A CA  1 
ATOM   745  C  C   . GLU   A 1 134 ? 0.202   -14.527 69.511 1.00 12.14 ? 205 GLU   A C   1 
ATOM   746  O  O   . GLU   A 1 134 ? 0.313   -13.995 68.402 1.00 11.07 ? 205 GLU   A O   1 
ATOM   747  C  CB  . GLU   A 1 134 ? -0.009  -13.355 71.780 1.00 11.88 ? 205 GLU   A CB  1 
ATOM   748  C  CG  . GLU   A 1 134 ? 0.676   -12.928 73.066 1.00 13.46 ? 205 GLU   A CG  1 
ATOM   749  C  CD  . GLU   A 1 134 ? 1.169   -14.032 73.983 1.00 16.23 ? 205 GLU   A CD  1 
ATOM   750  O  OE1 . GLU   A 1 134 ? 1.176   -13.802 75.213 1.00 16.44 ? 205 GLU   A OE1 1 
ATOM   751  O  OE2 . GLU   A 1 134 ? 1.541   -15.124 73.486 1.00 16.60 ? 205 GLU   A OE2 1 
ATOM   752  N  N   . PRO   A 1 135 ? -0.498  -15.686 69.681 1.00 9.12  ? 206 PRO   A N   1 
ATOM   753  C  CA  . PRO   A 1 135 ? -1.205  -16.293 68.539 1.00 9.47  ? 206 PRO   A CA  1 
ATOM   754  C  C   . PRO   A 1 135 ? -2.221  -15.384 67.829 1.00 13.88 ? 206 PRO   A C   1 
ATOM   755  O  O   . PRO   A 1 135 ? -2.310  -15.462 66.610 1.00 14.09 ? 206 PRO   A O   1 
ATOM   756  C  CB  . PRO   A 1 135 ? -1.882  -17.529 69.153 1.00 10.72 ? 206 PRO   A CB  1 
ATOM   757  C  CG  . PRO   A 1 135 ? -1.081  -17.851 70.386 1.00 13.06 ? 206 PRO   A CG  1 
ATOM   758  C  CD  . PRO   A 1 135 ? -0.684  -16.494 70.912 1.00 8.68  ? 206 PRO   A CD  1 
ATOM   759  N  N   . ASP   A 1 136 ? -3.007  -14.574 68.570 1.00 9.53  ? 207 ASP   A N   1 
ATOM   760  C  CA  . ASP   A 1 136 ? -4.033  -13.706 67.970 1.00 8.59  ? 207 ASP   A CA  1 
ATOM   761  C  C   . ASP   A 1 136 ? -3.767  -12.199 68.004 1.00 11.73 ? 207 ASP   A C   1 
ATOM   762  O  O   . ASP   A 1 136 ? -4.514  -11.439 67.369 1.00 11.31 ? 207 ASP   A O   1 
ATOM   763  C  CB  . ASP   A 1 136 ? -5.401  -13.954 68.596 1.00 9.89  ? 207 ASP   A CB  1 
ATOM   764  C  CG  . ASP   A 1 136 ? -6.091  -15.243 68.205 1.00 14.46 ? 207 ASP   A CG  1 
ATOM   765  O  OD1 . ASP   A 1 136 ? -5.764  -15.791 67.149 1.00 11.64 ? 207 ASP   A OD1 1 
ATOM   766  O  OD2 . ASP   A 1 136 ? -6.967  -15.677 68.945 1.00 12.90 ? 207 ASP   A OD2 1 
ATOM   767  N  N   . HIS   A 1 137 ? -2.755  -11.758 68.757 1.00 9.00  ? 208 HIS   A N   1 
ATOM   768  C  CA  . HIS   A 1 137 ? -2.495  -10.336 68.931 1.00 9.24  ? 208 HIS   A CA  1 
ATOM   769  C  C   . HIS   A 1 137 ? -1.059  -10.048 69.313 1.00 11.76 ? 208 HIS   A C   1 
ATOM   770  O  O   . HIS   A 1 137 ? -0.331  -10.963 69.716 1.00 10.67 ? 208 HIS   A O   1 
ATOM   771  C  CB  . HIS   A 1 137 ? -3.436  -9.780  70.035 1.00 10.81 ? 208 HIS   A CB  1 
ATOM   772  C  CG  . HIS   A 1 137 ? -3.298  -10.434 71.379 1.00 14.27 ? 208 HIS   A CG  1 
ATOM   773  N  ND1 . HIS   A 1 137 ? -4.291  -11.254 71.888 1.00 16.79 ? 208 HIS   A ND1 1 
ATOM   774  C  CD2 . HIS   A 1 137 ? -2.327  -10.302 72.318 1.00 16.76 ? 208 HIS   A CD2 1 
ATOM   775  C  CE1 . HIS   A 1 137 ? -3.882  -11.614 73.098 1.00 16.19 ? 208 HIS   A CE1 1 
ATOM   776  N  NE2 . HIS   A 1 137 ? -2.715  -11.065 73.408 1.00 16.25 ? 208 HIS   A NE2 1 
ATOM   777  N  N   . PHE   A 1 138 ? -0.645  -8.766  69.176 1.00 9.95  ? 209 PHE   A N   1 
ATOM   778  C  CA  . PHE   A 1 138 ? 0.604   -8.263  69.698 1.00 9.19  ? 209 PHE   A CA  1 
ATOM   779  C  C   . PHE   A 1 138 ? 0.175   -7.727  71.061 1.00 14.59 ? 209 PHE   A C   1 
ATOM   780  O  O   . PHE   A 1 138 ? -0.850  -7.056  71.170 1.00 14.68 ? 209 PHE   A O   1 
ATOM   781  C  CB  . PHE   A 1 138 ? 1.164   -7.073  68.872 1.00 10.94 ? 209 PHE   A CB  1 
ATOM   782  C  CG  . PHE   A 1 138 ? 1.618   -7.393  67.472 1.00 9.92  ? 209 PHE   A CG  1 
ATOM   783  C  CD1 . PHE   A 1 138 ? 2.906   -7.850  67.231 1.00 12.61 ? 209 PHE   A CD1 1 
ATOM   784  C  CD2 . PHE   A 1 138 ? 0.775   -7.181  66.383 1.00 11.68 ? 209 PHE   A CD2 1 
ATOM   785  C  CE1 . PHE   A 1 138 ? 3.335   -8.136  65.926 1.00 11.65 ? 209 PHE   A CE1 1 
ATOM   786  C  CE2 . PHE   A 1 138 ? 1.195   -7.474  65.079 1.00 13.37 ? 209 PHE   A CE2 1 
ATOM   787  C  CZ  . PHE   A 1 138 ? 2.481   -7.927  64.853 1.00 12.76 ? 209 PHE   A CZ  1 
ATOM   788  N  N   . LYS   A 1 139 ? 0.955   -8.020  72.086 1.00 11.27 ? 210 LYS   A N   1 
ATOM   789  C  CA  . LYS   A 1 139 ? 0.718   -7.527  73.431 1.00 11.80 ? 210 LYS   A CA  1 
ATOM   790  C  C   . LYS   A 1 139 ? 1.851   -6.543  73.727 1.00 14.17 ? 210 LYS   A C   1 
ATOM   791  O  O   . LYS   A 1 139 ? 3.021   -6.881  73.574 1.00 13.56 ? 210 LYS   A O   1 
ATOM   792  C  CB  . LYS   A 1 139 ? 0.678   -8.695  74.447 1.00 13.52 ? 210 LYS   A CB  1 
ATOM   793  C  CG  . LYS   A 1 139 ? 0.224   -8.267  75.838 1.00 32.43 ? 210 LYS   A CG  1 
ATOM   794  C  CD  . LYS   A 1 139 ? 0.122   -9.430  76.827 1.00 50.21 ? 210 LYS   A CD  1 
ATOM   795  C  CE  . LYS   A 1 139 ? 1.444   -9.982  77.311 1.00 66.14 ? 210 LYS   A CE  1 
ATOM   796  N  NZ  . LYS   A 1 139 ? 1.255   -11.146 78.224 1.00 76.14 ? 210 LYS   A NZ  1 
ATOM   797  N  N   . VAL   A 1 140 ? 1.493   -5.320  74.135 1.00 8.79  ? 211 VAL   A N   1 
ATOM   798  C  CA  . VAL   A 1 140 ? 2.455   -4.265  74.406 1.00 7.21  ? 211 VAL   A CA  1 
ATOM   799  C  C   . VAL   A 1 140 ? 2.458   -3.936  75.892 1.00 12.31 ? 211 VAL   A C   1 
ATOM   800  O  O   . VAL   A 1 140 ? 1.400   -3.689  76.475 1.00 12.83 ? 211 VAL   A O   1 
ATOM   801  C  CB  . VAL   A 1 140 ? 2.137   -2.987  73.599 1.00 11.13 ? 211 VAL   A CB  1 
ATOM   802  C  CG1 . VAL   A 1 140 ? 3.119   -1.864  73.944 1.00 10.90 ? 211 VAL   A CG1 1 
ATOM   803  C  CG2 . VAL   A 1 140 ? 2.139   -3.263  72.088 1.00 11.31 ? 211 VAL   A CG2 1 
ATOM   804  N  N   . ALA   A 1 141 ? 3.659   -3.879  76.473 1.00 10.30 ? 212 ALA   A N   1 
ATOM   805  C  CA  . ALA   A 1 141 ? 3.887   -3.475  77.850 1.00 10.56 ? 212 ALA   A CA  1 
ATOM   806  C  C   . ALA   A 1 141 ? 5.014   -2.442  77.850 1.00 15.08 ? 212 ALA   A C   1 
ATOM   807  O  O   . ALA   A 1 141 ? 6.065   -2.641  77.218 1.00 14.67 ? 212 ALA   A O   1 
ATOM   808  C  CB  . ALA   A 1 141 ? 4.272   -4.666  78.711 1.00 12.04 ? 212 ALA   A CB  1 
ATOM   809  N  N   . VAL   A 1 142 ? 4.801   -1.336  78.577 1.00 10.22 ? 213 VAL   A N   1 
ATOM   810  C  CA  . VAL   A 1 142 ? 5.807   -0.287  78.676 1.00 8.28  ? 213 VAL   A CA  1 
ATOM   811  C  C   . VAL   A 1 142 ? 6.273   -0.197  80.144 1.00 13.16 ? 213 VAL   A C   1 
ATOM   812  O  O   . VAL   A 1 142 ? 5.442   -0.166  81.054 1.00 13.86 ? 213 VAL   A O   1 
ATOM   813  C  CB  . VAL   A 1 142 ? 5.292   1.057   78.135 1.00 10.24 ? 213 VAL   A CB  1 
ATOM   814  C  CG1 . VAL   A 1 142 ? 6.293   2.183   78.389 1.00 10.05 ? 213 VAL   A CG1 1 
ATOM   815  C  CG2 . VAL   A 1 142 ? 4.954   0.950   76.638 1.00 9.00  ? 213 VAL   A CG2 1 
ATOM   816  N  N   . ASN   A 1 143 ? 7.604   -0.166  80.371 1.00 9.22  ? 214 ASN   A N   1 
ATOM   817  C  CA  . ASN   A 1 143 ? 8.159   -0.091  81.740 1.00 8.98  ? 214 ASN   A CA  1 
ATOM   818  C  C   . ASN   A 1 143 ? 7.556   -1.126  82.691 1.00 13.37 ? 214 ASN   A C   1 
ATOM   819  O  O   . ASN   A 1 143 ? 7.252   -0.830  83.846 1.00 12.92 ? 214 ASN   A O   1 
ATOM   820  C  CB  . ASN   A 1 143 ? 8.069   1.344   82.318 1.00 13.45 ? 214 ASN   A CB  1 
ATOM   821  C  CG  . ASN   A 1 143 ? 8.665   2.380   81.422 1.00 17.15 ? 214 ASN   A CG  1 
ATOM   822  O  OD1 . ASN   A 1 143 ? 9.537   2.085   80.626 1.00 10.43 ? 214 ASN   A OD1 1 
ATOM   823  N  ND2 . ASN   A 1 143 ? 8.200   3.620   81.518 1.00 15.77 ? 214 ASN   A ND2 1 
ATOM   824  N  N   . ASP   A 1 144 ? 7.411   -2.357  82.189 1.00 13.52 ? 215 ASP   A N   1 
ATOM   825  C  CA  . ASP   A 1 144 ? 6.933   -3.536  82.916 1.00 12.30 ? 215 ASP   A CA  1 
ATOM   826  C  C   . ASP   A 1 144 ? 5.466   -3.446  83.382 1.00 17.33 ? 215 ASP   A C   1 
ATOM   827  O  O   . ASP   A 1 144 ? 5.046   -4.205  84.246 1.00 17.97 ? 215 ASP   A O   1 
ATOM   828  C  CB  . ASP   A 1 144 ? 7.898   -3.895  84.063 1.00 13.24 ? 215 ASP   A CB  1 
ATOM   829  C  CG  . ASP   A 1 144 ? 9.287   -4.264  83.570 1.00 17.74 ? 215 ASP   A CG  1 
ATOM   830  O  OD1 . ASP   A 1 144 ? 9.390   -5.113  82.651 1.00 18.14 ? 215 ASP   A OD1 1 
ATOM   831  O  OD2 . ASP   A 1 144 ? 10.270  -3.709  84.099 1.00 24.11 ? 215 ASP   A OD2 1 
ATOM   832  N  N   . ALA   A 1 145 ? 4.660   -2.614  82.718 1.00 15.64 ? 216 ALA   A N   1 
ATOM   833  C  CA  . ALA   A 1 145 ? 3.219   -2.520  82.982 1.00 14.33 ? 216 ALA   A CA  1 
ATOM   834  C  C   . ALA   A 1 145 ? 2.488   -2.751  81.674 1.00 16.25 ? 216 ALA   A C   1 
ATOM   835  O  O   . ALA   A 1 145 ? 2.833   -2.116  80.687 1.00 14.51 ? 216 ALA   A O   1 
ATOM   836  C  CB  . ALA   A 1 145 ? 2.872   -1.142  83.531 1.00 15.46 ? 216 ALA   A CB  1 
ATOM   837  N  N   . HIS   A 1 146 ? 1.456   -3.621  81.665 1.00 13.93 ? 217 HIS   A N   1 
ATOM   838  C  CA  . HIS   A 1 146 ? 0.650   -3.883  80.470 1.00 14.19 ? 217 HIS   A CA  1 
ATOM   839  C  C   . HIS   A 1 146 ? -0.001  -2.587  79.939 1.00 19.03 ? 217 HIS   A C   1 
ATOM   840  O  O   . HIS   A 1 146 ? -0.547  -1.796  80.722 1.00 18.92 ? 217 HIS   A O   1 
ATOM   841  C  CB  . HIS   A 1 146 ? -0.415  -4.969  80.740 1.00 15.00 ? 217 HIS   A CB  1 
ATOM   842  C  CG  . HIS   A 1 146 ? -1.405  -5.119  79.624 1.00 17.55 ? 217 HIS   A CG  1 
ATOM   843  N  ND1 . HIS   A 1 146 ? -1.083  -5.792  78.461 1.00 19.18 ? 217 HIS   A ND1 1 
ATOM   844  C  CD2 . HIS   A 1 146 ? -2.643  -4.579  79.488 1.00 18.57 ? 217 HIS   A CD2 1 
ATOM   845  C  CE1 . HIS   A 1 146 ? -2.144  -5.687  77.677 1.00 17.83 ? 217 HIS   A CE1 1 
ATOM   846  N  NE2 . HIS   A 1 146 ? -3.107  -4.964  78.251 1.00 17.73 ? 217 HIS   A NE2 1 
ATOM   847  N  N   . LEU   A 1 147 ? 0.047   -2.395  78.615 1.00 14.53 ? 218 LEU   A N   1 
ATOM   848  C  CA  . LEU   A 1 147 ? -0.521  -1.216  77.951 1.00 13.48 ? 218 LEU   A CA  1 
ATOM   849  C  C   . LEU   A 1 147 ? -1.731  -1.519  77.053 1.00 15.77 ? 218 LEU   A C   1 
ATOM   850  O  O   . LEU   A 1 147 ? -2.798  -0.943  77.253 1.00 14.71 ? 218 LEU   A O   1 
ATOM   851  C  CB  . LEU   A 1 147 ? 0.558   -0.439  77.165 1.00 12.91 ? 218 LEU   A CB  1 
ATOM   852  C  CG  . LEU   A 1 147 ? 0.072   0.854   76.464 1.00 16.16 ? 218 LEU   A CG  1 
ATOM   853  C  CD1 . LEU   A 1 147 ? -0.336  1.961   77.495 1.00 15.42 ? 218 LEU   A CD1 1 
ATOM   854  C  CD2 . LEU   A 1 147 ? 1.133   1.380   75.490 1.00 17.36 ? 218 LEU   A CD2 1 
ATOM   855  N  N   . LEU   A 1 148 ? -1.541  -2.363  76.025 1.00 13.42 ? 219 LEU   A N   1 
ATOM   856  C  CA  . LEU   A 1 148 ? -2.613  -2.682  75.085 1.00 11.42 ? 219 LEU   A CA  1 
ATOM   857  C  C   . LEU   A 1 148 ? -2.353  -3.989  74.364 1.00 13.29 ? 219 LEU   A C   1 
ATOM   858  O  O   . LEU   A 1 148 ? -1.245  -4.534  74.412 1.00 10.96 ? 219 LEU   A O   1 
ATOM   859  C  CB  . LEU   A 1 148 ? -2.835  -1.516  74.050 1.00 10.70 ? 219 LEU   A CB  1 
ATOM   860  C  CG  . LEU   A 1 148 ? -1.623  -1.061  73.166 1.00 13.15 ? 219 LEU   A CG  1 
ATOM   861  C  CD1 . LEU   A 1 148 ? -1.467  -1.928  71.906 1.00 13.51 ? 219 LEU   A CD1 1 
ATOM   862  C  CD2 . LEU   A 1 148 ? -1.783  0.396   72.741 1.00 9.86  ? 219 LEU   A CD2 1 
ATOM   863  N  N   . GLN   A 1 149 ? -3.393  -4.465  73.671 1.00 10.72 ? 220 GLN   A N   1 
ATOM   864  C  CA  . GLN   A 1 149 ? -3.354  -5.607  72.749 1.00 10.46 ? 220 GLN   A CA  1 
ATOM   865  C  C   . GLN   A 1 149 ? -3.911  -5.106  71.422 1.00 15.34 ? 220 GLN   A C   1 
ATOM   866  O  O   . GLN   A 1 149 ? -4.877  -4.337  71.400 1.00 15.80 ? 220 GLN   A O   1 
ATOM   867  C  CB  . GLN   A 1 149 ? -4.189  -6.819  73.213 1.00 11.49 ? 220 GLN   A CB  1 
ATOM   868  C  CG  . GLN   A 1 149 ? -3.747  -7.453  74.524 1.00 26.95 ? 220 GLN   A CG  1 
ATOM   869  C  CD  . GLN   A 1 149 ? -4.805  -8.397  75.065 1.00 39.94 ? 220 GLN   A CD  1 
ATOM   870  O  OE1 . GLN   A 1 149 ? -5.718  -8.852  74.352 1.00 28.64 ? 220 GLN   A OE1 1 
ATOM   871  N  NE2 . GLN   A 1 149 ? -4.718  -8.696  76.352 1.00 35.32 ? 220 GLN   A NE2 1 
ATOM   872  N  N   . TYR   A 1 150 ? -3.301  -5.568  70.329 1.00 9.95  ? 221 TYR   A N   1 
ATOM   873  C  CA  . TYR   A 1 150 ? -3.658  -5.251  68.946 1.00 8.72  ? 221 TYR   A CA  1 
ATOM   874  C  C   . TYR   A 1 150 ? -3.796  -6.584  68.169 1.00 13.32 ? 221 TYR   A C   1 
ATOM   875  O  O   . TYR   A 1 150 ? -2.786  -7.248  67.848 1.00 11.96 ? 221 TYR   A O   1 
ATOM   876  C  CB  . TYR   A 1 150 ? -2.561  -4.364  68.327 1.00 9.12  ? 221 TYR   A CB  1 
ATOM   877  C  CG  . TYR   A 1 150 ? -2.946  -3.809  66.981 1.00 10.28 ? 221 TYR   A CG  1 
ATOM   878  C  CD1 . TYR   A 1 150 ? -3.665  -2.624  66.878 1.00 12.33 ? 221 TYR   A CD1 1 
ATOM   879  C  CD2 . TYR   A 1 150 ? -2.629  -4.484  65.810 1.00 12.24 ? 221 TYR   A CD2 1 
ATOM   880  C  CE1 . TYR   A 1 150 ? -4.023  -2.100  65.643 1.00 11.95 ? 221 TYR   A CE1 1 
ATOM   881  C  CE2 . TYR   A 1 150 ? -3.024  -3.991  64.567 1.00 13.89 ? 221 TYR   A CE2 1 
ATOM   882  C  CZ  . TYR   A 1 150 ? -3.697  -2.781  64.491 1.00 13.26 ? 221 TYR   A CZ  1 
ATOM   883  O  OH  . TYR   A 1 150 ? -4.062  -2.251  63.286 1.00 8.28  ? 221 TYR   A OH  1 
ATOM   884  N  N   . ASN   A 1 151 ? -5.056  -6.978  67.896 1.00 9.17  ? 222 ASN   A N   1 
ATOM   885  C  CA  . ASN   A 1 151 ? -5.414  -8.221  67.206 1.00 9.85  ? 222 ASN   A CA  1 
ATOM   886  C  C   . ASN   A 1 151 ? -4.763  -8.259  65.825 1.00 12.11 ? 222 ASN   A C   1 
ATOM   887  O  O   . ASN   A 1 151 ? -4.637  -7.200  65.209 1.00 13.90 ? 222 ASN   A O   1 
ATOM   888  C  CB  . ASN   A 1 151 ? -6.933  -8.317  67.079 1.00 11.10 ? 222 ASN   A CB  1 
ATOM   889  C  CG  . ASN   A 1 151 ? -7.665  -8.661  68.351 1.00 25.02 ? 222 ASN   A CG  1 
ATOM   890  O  OD1 . ASN   A 1 151 ? -7.088  -9.137  69.331 1.00 15.96 ? 222 ASN   A OD1 1 
ATOM   891  N  ND2 . ASN   A 1 151 ? -8.976  -8.451  68.347 1.00 21.16 ? 222 ASN   A ND2 1 
ATOM   892  N  N   . HIS   A 1 152 ? -4.261  -9.441  65.385 1.00 8.39  ? 223 HIS   A N   1 
ATOM   893  C  CA  . HIS   A 1 152 ? -3.582  -9.581  64.080 1.00 7.63  ? 223 HIS   A CA  1 
ATOM   894  C  C   . HIS   A 1 152 ? -4.566  -9.372  62.911 1.00 12.18 ? 223 HIS   A C   1 
ATOM   895  O  O   . HIS   A 1 152 ? -5.584  -10.079 62.839 1.00 9.45  ? 223 HIS   A O   1 
ATOM   896  C  CB  . HIS   A 1 152 ? -2.914  -10.975 63.925 1.00 8.84  ? 223 HIS   A CB  1 
ATOM   897  C  CG  . HIS   A 1 152 ? -1.797  -11.251 64.886 1.00 11.92 ? 223 HIS   A CG  1 
ATOM   898  N  ND1 . HIS   A 1 152 ? -0.745  -10.373 65.042 1.00 13.77 ? 223 HIS   A ND1 1 
ATOM   899  C  CD2 . HIS   A 1 152 ? -1.589  -12.330 65.682 1.00 12.90 ? 223 HIS   A CD2 1 
ATOM   900  C  CE1 . HIS   A 1 152 ? 0.043   -10.909 65.960 1.00 12.63 ? 223 HIS   A CE1 1 
ATOM   901  N  NE2 . HIS   A 1 152 ? -0.430  -12.089 66.380 1.00 12.74 ? 223 HIS   A NE2 1 
ATOM   902  N  N   . ARG   A 1 153 ? -4.277  -8.394  62.019 1.00 11.12 ? 224 ARG   A N   1 
ATOM   903  C  CA  . ARG   A 1 153 ? -5.090  -8.135  60.809 1.00 11.41 ? 224 ARG   A CA  1 
ATOM   904  C  C   . ARG   A 1 153 ? -4.319  -8.715  59.657 1.00 13.80 ? 224 ARG   A C   1 
ATOM   905  O  O   . ARG   A 1 153 ? -4.915  -9.298  58.743 1.00 12.89 ? 224 ARG   A O   1 
ATOM   906  C  CB  . ARG   A 1 153 ? -5.372  -6.646  60.579 1.00 10.66 ? 224 ARG   A CB  1 
ATOM   907  C  CG  . ARG   A 1 153 ? -5.906  -5.921  61.805 1.00 11.60 ? 224 ARG   A CG  1 
ATOM   908  C  CD  . ARG   A 1 153 ? -6.538  -4.615  61.398 1.00 9.20  ? 224 ARG   A CD  1 
ATOM   909  N  NE  . ARG   A 1 153 ? -6.920  -3.799  62.551 1.00 13.81 ? 224 ARG   A NE  1 
ATOM   910  C  CZ  . ARG   A 1 153 ? -7.023  -2.480  62.530 1.00 15.02 ? 224 ARG   A CZ  1 
ATOM   911  N  NH1 . ARG   A 1 153 ? -6.724  -1.802  61.429 1.00 11.43 ? 224 ARG   A NH1 1 
ATOM   912  N  NH2 . ARG   A 1 153 ? -7.377  -1.818  63.627 1.00 13.82 ? 224 ARG   A NH2 1 
ATOM   913  N  N   . VAL   A 1 154 ? -2.977  -8.589  59.724 1.00 9.20  ? 225 VAL   A N   1 
ATOM   914  C  CA  . VAL   A 1 154 ? -2.024  -9.243  58.829 1.00 7.51  ? 225 VAL   A CA  1 
ATOM   915  C  C   . VAL   A 1 154 ? -1.755  -10.632 59.492 1.00 15.86 ? 225 VAL   A C   1 
ATOM   916  O  O   . VAL   A 1 154 ? -1.208  -10.718 60.601 1.00 15.40 ? 225 VAL   A O   1 
ATOM   917  C  CB  . VAL   A 1 154 ? -0.708  -8.449  58.622 1.00 11.22 ? 225 VAL   A CB  1 
ATOM   918  C  CG1 . VAL   A 1 154 ? 0.319   -9.270  57.833 1.00 11.43 ? 225 VAL   A CG1 1 
ATOM   919  C  CG2 . VAL   A 1 154 ? -0.979  -7.121  57.923 1.00 11.18 ? 225 VAL   A CG2 1 
ATOM   920  N  N   . LYS   A 1 155 ? -2.087  -11.703 58.766 1.00 12.32 ? 226 LYS   A N   1 
ATOM   921  C  CA  . LYS   A 1 155 ? -2.010  -13.103 59.209 1.00 12.35 ? 226 LYS   A CA  1 
ATOM   922  C  C   . LYS   A 1 155 ? -0.691  -13.814 58.862 1.00 16.76 ? 226 LYS   A C   1 
ATOM   923  O  O   . LYS   A 1 155 ? -0.368  -14.833 59.494 1.00 16.45 ? 226 LYS   A O   1 
ATOM   924  C  CB  . LYS   A 1 155 ? -3.160  -13.885 58.557 1.00 14.79 ? 226 LYS   A CB  1 
ATOM   925  C  CG  . LYS   A 1 155 ? -4.475  -13.129 58.422 1.00 22.98 ? 226 LYS   A CG  1 
ATOM   926  C  CD  . LYS   A 1 155 ? -5.361  -13.390 59.567 1.00 17.49 ? 226 LYS   A CD  1 
ATOM   927  C  CE  . LYS   A 1 155 ? -6.447  -12.380 59.729 1.00 17.99 ? 226 LYS   A CE  1 
ATOM   928  N  NZ  . LYS   A 1 155 ? -6.885  -12.331 61.141 1.00 17.29 ? 226 LYS   A NZ  1 
ATOM   929  N  N   . LYS   A 1 156 ? 0.030   -13.354 57.815 1.00 11.86 ? 227 LYS   A N   1 
ATOM   930  C  CA  . LYS   A 1 156 ? 1.303   -13.983 57.467 1.00 12.58 ? 227 LYS   A CA  1 
ATOM   931  C  C   . LYS   A 1 156 ? 2.413   -13.467 58.388 1.00 15.09 ? 227 LYS   A C   1 
ATOM   932  O  O   . LYS   A 1 156 ? 3.294   -12.711 57.954 1.00 15.11 ? 227 LYS   A O   1 
ATOM   933  C  CB  . LYS   A 1 156 ? 1.664   -13.790 55.973 1.00 15.09 ? 227 LYS   A CB  1 
ATOM   934  C  CG  . LYS   A 1 156 ? 0.928   -14.701 55.008 1.00 30.86 ? 227 LYS   A CG  1 
ATOM   935  C  CD  . LYS   A 1 156 ? 1.402   -14.475 53.583 1.00 41.20 ? 227 LYS   A CD  1 
ATOM   936  C  CE  . LYS   A 1 156 ? 0.253   -14.379 52.610 1.00 59.79 ? 227 LYS   A CE  1 
ATOM   937  N  NZ  . LYS   A 1 156 ? 0.690   -14.606 51.206 1.00 72.67 ? 227 LYS   A NZ  1 
ATOM   938  N  N   . LEU   A 1 157 ? 2.384   -13.910 59.659 1.00 11.29 ? 228 LEU   A N   1 
ATOM   939  C  CA  . LEU   A 1 157 ? 3.353   -13.520 60.688 1.00 11.53 ? 228 LEU   A CA  1 
ATOM   940  C  C   . LEU   A 1 157 ? 4.809   -13.745 60.285 1.00 14.84 ? 228 LEU   A C   1 
ATOM   941  O  O   . LEU   A 1 157 ? 5.664   -12.906 60.599 1.00 14.68 ? 228 LEU   A O   1 
ATOM   942  C  CB  . LEU   A 1 157 ? 3.100   -14.206 62.048 1.00 10.92 ? 228 LEU   A CB  1 
ATOM   943  C  CG  . LEU   A 1 157 ? 1.745   -14.060 62.729 1.00 15.28 ? 228 LEU   A CG  1 
ATOM   944  C  CD1 . LEU   A 1 157 ? 1.788   -14.644 64.119 1.00 15.35 ? 228 LEU   A CD1 1 
ATOM   945  C  CD2 . LEU   A 1 157 ? 1.279   -12.593 62.812 1.00 11.78 ? 228 LEU   A CD2 1 
ATOM   946  N  N   . ASN   A 1 158 ? 5.091   -14.863 59.587 1.00 12.60 ? 229 ASN   A N   1 
ATOM   947  C  CA  . ASN   A 1 158 ? 6.465   -15.195 59.188 1.00 12.50 ? 229 ASN   A CA  1 
ATOM   948  C  C   . ASN   A 1 158 ? 7.019   -14.284 58.055 1.00 12.56 ? 229 ASN   A C   1 
ATOM   949  O  O   . ASN   A 1 158 ? 8.169   -14.450 57.651 1.00 11.96 ? 229 ASN   A O   1 
ATOM   950  C  CB  . ASN   A 1 158 ? 6.611   -16.705 58.852 1.00 12.08 ? 229 ASN   A CB  1 
ATOM   951  C  CG  . ASN   A 1 158 ? 5.950   -17.162 57.579 1.00 25.50 ? 229 ASN   A CG  1 
ATOM   952  O  OD1 . ASN   A 1 158 ? 5.218   -16.433 56.914 1.00 14.35 ? 229 ASN   A OD1 1 
ATOM   953  N  ND2 . ASN   A 1 158 ? 6.202   -18.404 57.209 1.00 20.38 ? 229 ASN   A ND2 1 
ATOM   954  N  N   . GLU   A 1 159 ? 6.230   -13.297 57.604 1.00 7.93  ? 230 GLU   A N   1 
ATOM   955  C  CA  . GLU   A 1 159 ? 6.617   -12.326 56.570 1.00 7.64  ? 230 GLU   A CA  1 
ATOM   956  C  C   . GLU   A 1 159 ? 6.731   -10.880 57.103 1.00 9.81  ? 230 GLU   A C   1 
ATOM   957  O  O   . GLU   A 1 159 ? 7.091   -10.005 56.333 1.00 9.67  ? 230 GLU   A O   1 
ATOM   958  C  CB  . GLU   A 1 159 ? 5.690   -12.396 55.345 1.00 8.65  ? 230 GLU   A CB  1 
ATOM   959  C  CG  . GLU   A 1 159 ? 5.904   -13.659 54.522 1.00 11.16 ? 230 GLU   A CG  1 
ATOM   960  C  CD  . GLU   A 1 159 ? 5.058   -13.752 53.270 1.00 21.10 ? 230 GLU   A CD  1 
ATOM   961  O  OE1 . GLU   A 1 159 ? 4.389   -12.754 52.917 1.00 11.80 ? 230 GLU   A OE1 1 
ATOM   962  O  OE2 . GLU   A 1 159 ? 5.108   -14.813 52.608 1.00 11.40 ? 230 GLU   A OE2 1 
ATOM   963  N  N   . ILE   A 1 160 ? 6.489   -10.639 58.421 1.00 8.63  ? 231 ILE   A N   1 
ATOM   964  C  CA  . ILE   A 1 160 ? 6.637   -9.324  59.092 1.00 9.38  ? 231 ILE   A CA  1 
ATOM   965  C  C   . ILE   A 1 160 ? 8.153   -9.341  59.488 1.00 11.85 ? 231 ILE   A C   1 
ATOM   966  O  O   . ILE   A 1 160 ? 8.509   -9.697  60.612 1.00 10.36 ? 231 ILE   A O   1 
ATOM   967  C  CB  . ILE   A 1 160 ? 5.655   -9.234  60.325 1.00 11.94 ? 231 ILE   A CB  1 
ATOM   968  C  CG1 . ILE   A 1 160 ? 4.185   -9.507  59.891 1.00 10.97 ? 231 ILE   A CG1 1 
ATOM   969  C  CG2 . ILE   A 1 160 ? 5.769   -7.867  61.009 1.00 11.71 ? 231 ILE   A CG2 1 
ATOM   970  C  CD1 . ILE   A 1 160 ? 3.153   -9.784  60.974 1.00 17.05 ? 231 ILE   A CD1 1 
ATOM   971  N  N   A SER   A 1 161 ? 9.037   -8.979  58.543 0.50 9.63  ? 232 SER   A N   1 
ATOM   972  N  N   B SER   A 1 161 ? 9.014   -8.945  58.551 0.50 7.10  ? 232 SER   A N   1 
ATOM   973  C  CA  A SER   A 1 161 ? 10.486  -9.138  58.706 0.50 9.62  ? 232 SER   A CA  1 
ATOM   974  C  CA  B SER   A 1 161 ? 10.450  -9.135  58.671 0.50 5.90  ? 232 SER   A CA  1 
ATOM   975  C  C   A SER   A 1 161 ? 11.321  -7.882  58.999 0.50 12.91 ? 232 SER   A C   1 
ATOM   976  C  C   B SER   A 1 161 ? 11.308  -7.885  58.957 0.50 11.21 ? 232 SER   A C   1 
ATOM   977  O  O   A SER   A 1 161 ? 12.549  -7.946  58.909 0.50 13.40 ? 232 SER   A O   1 
ATOM   978  O  O   B SER   A 1 161 ? 12.535  -7.969  58.864 0.50 11.69 ? 232 SER   A O   1 
ATOM   979  C  CB  A SER   A 1 161 ? 11.069  -9.848  57.489 0.50 12.54 ? 232 SER   A CB  1 
ATOM   980  C  CB  B SER   A 1 161 ? 10.957  -9.856  57.425 0.50 4.02  ? 232 SER   A CB  1 
ATOM   981  O  OG  A SER   A 1 161 ? 10.674  -9.212  56.287 0.50 25.97 ? 232 SER   A OG  1 
ATOM   982  O  OG  B SER   A 1 161 ? 10.191  -11.037 57.207 0.50 3.39  ? 232 SER   A OG  1 
ATOM   983  N  N   . LYS   A 1 162 ? 10.688  -6.781  59.386 1.00 8.38  ? 233 LYS   A N   1 
ATOM   984  C  CA  . LYS   A 1 162 ? 11.378  -5.528  59.729 1.00 8.25  ? 233 LYS   A CA  1 
ATOM   985  C  C   . LYS   A 1 162 ? 10.575  -4.774  60.743 1.00 13.08 ? 233 LYS   A C   1 
ATOM   986  O  O   . LYS   A 1 162 ? 9.357   -4.670  60.636 1.00 12.56 ? 233 LYS   A O   1 
ATOM   987  C  CB  . LYS   A 1 162 ? 11.543  -4.612  58.485 1.00 12.05 ? 233 LYS   A CB  1 
ATOM   988  C  CG  . LYS   A 1 162 ? 12.709  -4.949  57.555 1.00 31.86 ? 233 LYS   A CG  1 
ATOM   989  C  CD  . LYS   A 1 162 ? 12.764  -4.011  56.356 1.00 37.49 ? 233 LYS   A CD  1 
ATOM   990  N  N   . LEU   A 1 163 ? 11.266  -4.237  61.738 1.00 11.18 ? 234 LEU   A N   1 
ATOM   991  C  CA  . LEU   A 1 163 ? 10.706  -3.290  62.671 1.00 9.67  ? 234 LEU   A CA  1 
ATOM   992  C  C   . LEU   A 1 163 ? 11.453  -1.966  62.457 1.00 13.24 ? 234 LEU   A C   1 
ATOM   993  O  O   . LEU   A 1 163 ? 12.680  -1.914  62.568 1.00 13.13 ? 234 LEU   A O   1 
ATOM   994  C  CB  . LEU   A 1 163 ? 10.766  -3.787  64.139 1.00 9.20  ? 234 LEU   A CB  1 
ATOM   995  C  CG  . LEU   A 1 163 ? 10.537  -2.735  65.235 1.00 11.17 ? 234 LEU   A CG  1 
ATOM   996  C  CD1 . LEU   A 1 163 ? 9.116   -2.194  65.201 1.00 10.89 ? 234 LEU   A CD1 1 
ATOM   997  C  CD2 . LEU   A 1 163 ? 10.879  -3.298  66.601 1.00 12.36 ? 234 LEU   A CD2 1 
ATOM   998  N  N   . GLY   A 1 164 ? 10.707  -0.946  62.057 1.00 10.20 ? 235 GLY   A N   1 
ATOM   999  C  CA  . GLY   A 1 164 ? 11.207  0.421   61.912 1.00 10.05 ? 235 GLY   A CA  1 
ATOM   1000 C  C   . GLY   A 1 164 ? 10.970  1.180   63.205 1.00 13.69 ? 235 GLY   A C   1 
ATOM   1001 O  O   . GLY   A 1 164 ? 9.856   1.157   63.738 1.00 13.33 ? 235 GLY   A O   1 
ATOM   1002 N  N   . ILE   A 1 165 ? 12.015  1.844   63.739 1.00 10.43 ? 236 ILE   A N   1 
ATOM   1003 C  CA  . ILE   A 1 165 ? 11.898  2.634   64.978 1.00 11.36 ? 236 ILE   A CA  1 
ATOM   1004 C  C   . ILE   A 1 165 ? 12.255  4.082   64.623 1.00 17.47 ? 236 ILE   A C   1 
ATOM   1005 O  O   . ILE   A 1 165 ? 13.320  4.334   64.063 1.00 16.33 ? 236 ILE   A O   1 
ATOM   1006 C  CB  . ILE   A 1 165 ? 12.737  2.068   66.161 1.00 15.05 ? 236 ILE   A CB  1 
ATOM   1007 C  CG1 . ILE   A 1 165 ? 12.509  0.545   66.375 1.00 16.37 ? 236 ILE   A CG1 1 
ATOM   1008 C  CG2 . ILE   A 1 165 ? 12.457  2.862   67.456 1.00 15.72 ? 236 ILE   A CG2 1 
ATOM   1009 C  CD1 . ILE   A 1 165 ? 13.725  -0.189  66.871 1.00 27.27 ? 236 ILE   A CD1 1 
ATOM   1010 N  N   . SER   A 1 166 ? 11.337  5.023   64.880 1.00 15.69 ? 237 SER   A N   1 
ATOM   1011 C  CA  . SER   A 1 166 ? 11.541  6.428   64.519 1.00 14.30 ? 237 SER   A CA  1 
ATOM   1012 C  C   . SER   A 1 166 ? 10.842  7.385   65.498 1.00 18.07 ? 237 SER   A C   1 
ATOM   1013 O  O   . SER   A 1 166 ? 9.994   6.972   66.299 1.00 16.82 ? 237 SER   A O   1 
ATOM   1014 C  CB  . SER   A 1 166 ? 11.053  6.687   63.088 1.00 15.25 ? 237 SER   A CB  1 
ATOM   1015 O  OG  . SER   A 1 166 ? 9.663   6.428   62.983 1.00 22.09 ? 237 SER   A OG  1 
ATOM   1016 N  N   . GLY   A 1 167 ? 11.171  8.661   65.372 1.00 14.14 ? 238 GLY   A N   1 
ATOM   1017 C  CA  . GLY   A 1 167 ? 10.578  9.690   66.207 1.00 13.22 ? 238 GLY   A CA  1 
ATOM   1018 C  C   . GLY   A 1 167 ? 11.538  10.328  67.176 1.00 15.96 ? 238 GLY   A C   1 
ATOM   1019 O  O   . GLY   A 1 167 ? 12.762  10.171  67.064 1.00 14.30 ? 238 GLY   A O   1 
ATOM   1020 N  N   . ASP   A 1 168 ? 10.949  10.985  68.177 1.00 13.44 ? 239 ASP   A N   1 
ATOM   1021 C  CA  . ASP   A 1 168 ? 11.589  11.853  69.168 1.00 13.94 ? 239 ASP   A CA  1 
ATOM   1022 C  C   . ASP   A 1 168 ? 12.154  11.108  70.362 1.00 18.42 ? 239 ASP   A C   1 
ATOM   1023 O  O   . ASP   A 1 168 ? 11.727  11.309  71.508 1.00 17.51 ? 239 ASP   A O   1 
ATOM   1024 C  CB  . ASP   A 1 168 ? 10.609  12.970  69.586 1.00 14.93 ? 239 ASP   A CB  1 
ATOM   1025 C  CG  . ASP   A 1 168 ? 10.101  13.767  68.394 1.00 16.30 ? 239 ASP   A CG  1 
ATOM   1026 O  OD1 . ASP   A 1 168 ? 10.881  13.992  67.458 1.00 19.82 ? 239 ASP   A OD1 1 
ATOM   1027 O  OD2 . ASP   A 1 168 ? 8.921   14.105  68.375 1.00 14.76 ? 239 ASP   A OD2 1 
ATOM   1028 N  N   . ILE   A 1 169 ? 13.159  10.258  70.076 1.00 15.69 ? 240 ILE   A N   1 
ATOM   1029 C  CA  . ILE   A 1 169 ? 13.849  9.407   71.055 1.00 15.34 ? 240 ILE   A CA  1 
ATOM   1030 C  C   . ILE   A 1 169 ? 15.342  9.335   70.771 1.00 19.28 ? 240 ILE   A C   1 
ATOM   1031 O  O   . ILE   A 1 169 ? 15.770  9.595   69.649 1.00 19.82 ? 240 ILE   A O   1 
ATOM   1032 C  CB  . ILE   A 1 169 ? 13.251  7.940   71.084 1.00 18.26 ? 240 ILE   A CB  1 
ATOM   1033 C  CG1 . ILE   A 1 169 ? 13.550  7.154   69.757 1.00 18.23 ? 240 ILE   A CG1 1 
ATOM   1034 C  CG2 . ILE   A 1 169 ? 11.763  7.910   71.443 1.00 18.24 ? 240 ILE   A CG2 1 
ATOM   1035 C  CD1 . ILE   A 1 169 ? 13.490  5.651   69.841 1.00 20.06 ? 240 ILE   A CD1 1 
ATOM   1036 N  N   . ASP   A 1 170 ? 16.114  8.905   71.782 1.00 16.47 ? 241 ASP   A N   1 
ATOM   1037 C  CA  . ASP   A 1 170 ? 17.513  8.508   71.695 1.00 16.55 ? 241 ASP   A CA  1 
ATOM   1038 C  C   . ASP   A 1 170 ? 17.415  6.983   71.882 1.00 19.10 ? 241 ASP   A C   1 
ATOM   1039 O  O   . ASP   A 1 170 ? 16.815  6.525   72.851 1.00 17.51 ? 241 ASP   A O   1 
ATOM   1040 C  CB  . ASP   A 1 170 ? 18.375  9.142   72.814 1.00 19.79 ? 241 ASP   A CB  1 
ATOM   1041 C  CG  . ASP   A 1 170 ? 18.671  10.626  72.628 1.00 30.40 ? 241 ASP   A CG  1 
ATOM   1042 O  OD1 . ASP   A 1 170 ? 18.873  11.053  71.465 1.00 30.21 ? 241 ASP   A OD1 1 
ATOM   1043 O  OD2 . ASP   A 1 170 ? 18.700  11.358  73.645 1.00 35.84 ? 241 ASP   A OD2 1 
ATOM   1044 N  N   . LEU   A 1 171 ? 17.900  6.211   70.916 1.00 15.86 ? 242 LEU   A N   1 
ATOM   1045 C  CA  . LEU   A 1 171 ? 17.796  4.758   70.967 1.00 15.85 ? 242 LEU   A CA  1 
ATOM   1046 C  C   . LEU   A 1 171 ? 19.022  4.128   71.578 1.00 20.58 ? 242 LEU   A C   1 
ATOM   1047 O  O   . LEU   A 1 171 ? 20.142  4.403   71.135 1.00 22.41 ? 242 LEU   A O   1 
ATOM   1048 C  CB  . LEU   A 1 171 ? 17.524  4.214   69.559 1.00 16.01 ? 242 LEU   A CB  1 
ATOM   1049 C  CG  . LEU   A 1 171 ? 17.204  2.724   69.457 1.00 20.28 ? 242 LEU   A CG  1 
ATOM   1050 C  CD1 . LEU   A 1 171 ? 15.827  2.417   69.994 1.00 20.25 ? 242 LEU   A CD1 1 
ATOM   1051 C  CD2 . LEU   A 1 171 ? 17.343  2.238   68.023 1.00 20.27 ? 242 LEU   A CD2 1 
ATOM   1052 N  N   . THR   A 1 172 ? 18.822  3.296   72.618 1.00 16.64 ? 243 THR   A N   1 
ATOM   1053 C  CA  . THR   A 1 172 ? 19.934  2.626   73.296 1.00 16.82 ? 243 THR   A CA  1 
ATOM   1054 C  C   . THR   A 1 172 ? 20.137  1.197   72.742 1.00 22.51 ? 243 THR   A C   1 
ATOM   1055 O  O   . THR   A 1 172 ? 21.279  0.833   72.445 1.00 22.56 ? 243 THR   A O   1 
ATOM   1056 C  CB  . THR   A 1 172 ? 19.779  2.705   74.833 1.00 23.76 ? 243 THR   A CB  1 
ATOM   1057 O  OG1 . THR   A 1 172 ? 19.778  4.085   75.214 1.00 21.32 ? 243 THR   A OG1 1 
ATOM   1058 C  CG2 . THR   A 1 172 ? 20.914  2.011   75.572 1.00 24.76 ? 243 THR   A CG2 1 
ATOM   1059 N  N   . SER   A 1 173 ? 19.049  0.393   72.630 1.00 18.27 ? 244 SER   A N   1 
ATOM   1060 C  CA  . SER   A 1 173 ? 19.117  -0.969  72.071 1.00 17.42 ? 244 SER   A CA  1 
ATOM   1061 C  C   . SER   A 1 173 ? 17.762  -1.466  71.533 1.00 18.38 ? 244 SER   A C   1 
ATOM   1062 O  O   . SER   A 1 173 ? 16.698  -0.992  71.957 1.00 16.21 ? 244 SER   A O   1 
ATOM   1063 C  CB  . SER   A 1 173 ? 19.718  -1.955  73.070 1.00 19.16 ? 244 SER   A CB  1 
ATOM   1064 O  OG  . SER   A 1 173 ? 18.783  -2.297  74.074 1.00 24.71 ? 244 SER   A OG  1 
ATOM   1065 N  N   . ALA   A 1 174 ? 17.818  -2.372  70.549 1.00 15.45 ? 245 ALA   A N   1 
ATOM   1066 C  CA  . ALA   A 1 174 ? 16.643  -2.985  69.915 1.00 15.44 ? 245 ALA   A CA  1 
ATOM   1067 C  C   . ALA   A 1 174 ? 16.958  -4.468  69.701 1.00 18.74 ? 245 ALA   A C   1 
ATOM   1068 O  O   . ALA   A 1 174 ? 17.843  -4.797  68.901 1.00 17.73 ? 245 ALA   A O   1 
ATOM   1069 C  CB  . ALA   A 1 174 ? 16.354  -2.307  68.584 1.00 16.63 ? 245 ALA   A CB  1 
ATOM   1070 N  N   . SER   A 1 175 ? 16.277  -5.369  70.455 1.00 14.86 ? 246 SER   A N   1 
ATOM   1071 C  CA  . SER   A 1 175 ? 16.559  -6.800  70.367 1.00 14.82 ? 246 SER   A CA  1 
ATOM   1072 C  C   . SER   A 1 175 ? 15.340  -7.666  70.650 1.00 19.92 ? 246 SER   A C   1 
ATOM   1073 O  O   . SER   A 1 175 ? 14.344  -7.179  71.160 1.00 19.80 ? 246 SER   A O   1 
ATOM   1074 C  CB  . SER   A 1 175 ? 17.680  -7.177  71.331 1.00 17.02 ? 246 SER   A CB  1 
ATOM   1075 O  OG  . SER   A 1 175 ? 17.277  -6.961  72.674 1.00 25.63 ? 246 SER   A OG  1 
ATOM   1076 N  N   . TYR   A 1 176 ? 15.460  -8.983  70.388 1.00 17.11 ? 247 TYR   A N   1 
ATOM   1077 C  CA  . TYR   A 1 176 ? 14.389  -9.947  70.611 1.00 15.39 ? 247 TYR   A CA  1 
ATOM   1078 C  C   . TYR   A 1 176 ? 14.953  -11.236 71.205 1.00 20.16 ? 247 TYR   A C   1 
ATOM   1079 O  O   . TYR   A 1 176 ? 16.163  -11.506 71.114 1.00 19.79 ? 247 TYR   A O   1 
ATOM   1080 C  CB  . TYR   A 1 176 ? 13.596  -10.219 69.302 1.00 15.81 ? 247 TYR   A CB  1 
ATOM   1081 C  CG  . TYR   A 1 176 ? 14.484  -10.423 68.088 1.00 15.62 ? 247 TYR   A CG  1 
ATOM   1082 C  CD1 . TYR   A 1 176 ? 15.173  -11.620 67.893 1.00 16.93 ? 247 TYR   A CD1 1 
ATOM   1083 C  CD2 . TYR   A 1 176 ? 14.606  -9.436  67.115 1.00 15.84 ? 247 TYR   A CD2 1 
ATOM   1084 C  CE1 . TYR   A 1 176 ? 16.031  -11.791 66.803 1.00 16.37 ? 247 TYR   A CE1 1 
ATOM   1085 C  CE2 . TYR   A 1 176 ? 15.478  -9.587  66.034 1.00 16.17 ? 247 TYR   A CE2 1 
ATOM   1086 C  CZ  . TYR   A 1 176 ? 16.183  -10.770 65.879 1.00 20.49 ? 247 TYR   A CZ  1 
ATOM   1087 O  OH  . TYR   A 1 176 ? 17.033  -10.922 64.799 1.00 17.40 ? 247 TYR   A OH  1 
ATOM   1088 N  N   . THR   A 1 177 ? 14.075  -12.006 71.845 1.00 15.62 ? 248 THR   A N   1 
ATOM   1089 C  CA  . THR   A 1 177 ? 14.359  -13.315 72.435 1.00 16.06 ? 248 THR   A CA  1 
ATOM   1090 C  C   . THR   A 1 177 ? 13.066  -14.164 72.421 1.00 19.14 ? 248 THR   A C   1 
ATOM   1091 O  O   . THR   A 1 177 ? 11.986  -13.616 72.188 1.00 18.77 ? 248 THR   A O   1 
ATOM   1092 C  CB  . THR   A 1 177 ? 14.920  -13.127 73.854 1.00 24.58 ? 248 THR   A CB  1 
ATOM   1093 O  OG1 . THR   A 1 177 ? 15.545  -14.344 74.232 1.00 24.75 ? 248 THR   A OG1 1 
ATOM   1094 C  CG2 . THR   A 1 177 ? 13.846  -12.732 74.882 1.00 23.31 ? 248 THR   A CG2 1 
ATOM   1095 N  N   . MET   A 1 178 ? 13.171  -15.479 72.695 1.00 14.52 ? 249 MET   A N   1 
ATOM   1096 C  CA  . MET   A 1 178 ? 12.006  -16.359 72.804 1.00 13.63 ? 249 MET   A CA  1 
ATOM   1097 C  C   . MET   A 1 178 ? 11.791  -16.678 74.262 1.00 18.71 ? 249 MET   A C   1 
ATOM   1098 O  O   . MET   A 1 178 ? 12.744  -17.022 74.963 1.00 20.13 ? 249 MET   A O   1 
ATOM   1099 C  CB  . MET   A 1 178 ? 12.156  -17.645 71.979 1.00 14.86 ? 249 MET   A CB  1 
ATOM   1100 C  CG  . MET   A 1 178 ? 12.419  -17.401 70.518 1.00 17.27 ? 249 MET   A CG  1 
ATOM   1101 S  SD  . MET   A 1 178 ? 11.034  -16.650 69.633 1.00 20.23 ? 249 MET   A SD  1 
ATOM   1102 C  CE  . MET   A 1 178 ? 11.683  -16.651 68.011 1.00 15.09 ? 249 MET   A CE  1 
ATOM   1103 N  N   . ILE   A 1 179 ? 10.554  -16.515 74.732 1.00 13.68 ? 250 ILE   A N   1 
ATOM   1104 C  CA  . ILE   A 1 179 ? 10.201  -16.758 76.128 1.00 19.45 ? 250 ILE   A CA  1 
ATOM   1105 C  C   . ILE   A 1 179 ? 9.668   -18.179 76.301 1.00 28.36 ? 250 ILE   A C   1 
ATOM   1106 O  O   . ILE   A 1 179 ? 9.198   -18.765 75.290 1.00 28.12 ? 250 ILE   A O   1 
ATOM   1107 C  CB  . ILE   A 1 179 ? 9.259   -15.652 76.708 1.00 22.55 ? 250 ILE   A CB  1 
ATOM   1108 C  CG1 . ILE   A 1 179 ? 7.889   -15.574 75.980 1.00 23.10 ? 250 ILE   A CG1 1 
ATOM   1109 C  CG2 . ILE   A 1 179 ? 9.961   -14.280 76.714 1.00 22.10 ? 250 ILE   A CG2 1 
ATOM   1110 C  CD1 . ILE   A 1 179 ? 6.703   -16.110 76.721 1.00 26.72 ? 250 ILE   A CD1 1 
ATOM   1111 O  OXT . ILE   A 1 179 ? 9.729   -18.698 77.436 1.00 41.08 ? 250 ILE   A OXT 1 
HETATM 1112 MG MG  . MG    B 2 .   ? 8.337   15.912  82.837 1.00 18.66 2 301 MG    A MG  1 
HETATM 1113 C  C13 . A1L0R C 3 .   ? 7.516   9.744   62.172 1.00 19.89 ? 302 A1L0R A C13 1 
HETATM 1114 C  C18 . A1L0R C 3 .   ? -4.787  9.338   57.347 1.00 22.09 ? 302 A1L0R A C18 1 
HETATM 1115 C  C17 . A1L0R C 3 .   ? -4.882  9.366   58.764 1.00 18.54 ? 302 A1L0R A C17 1 
HETATM 1116 C  C16 . A1L0R C 3 .   ? -4.733  11.546  60.050 1.00 23.69 ? 302 A1L0R A C16 1 
HETATM 1117 C  C15 . A1L0R C 3 .   ? 6.057   9.600   60.238 1.00 15.90 ? 302 A1L0R A C15 1 
HETATM 1118 C  C19 . A1L0R C 3 .   ? -5.429  8.323   56.615 1.00 15.88 ? 302 A1L0R A C19 1 
HETATM 1119 C  C20 . A1L0R C 3 .   ? -6.164  7.361   57.291 1.00 15.87 ? 302 A1L0R A C20 1 
HETATM 1120 C  C21 . A1L0R C 3 .   ? -6.230  7.416   58.686 1.00 16.65 ? 302 A1L0R A C21 1 
HETATM 1121 C  C22 . A1L0R C 3 .   ? -5.610  8.395   59.450 1.00 15.85 ? 302 A1L0R A C22 1 
HETATM 1122 C  C23 . A1L0R C 3 .   ? -4.023  10.418  56.612 1.00 26.83 ? 302 A1L0R A C23 1 
HETATM 1123 C  C11 . A1L0R C 3 .   ? 5.260   8.940   62.431 1.00 18.42 ? 302 A1L0R A C11 1 
HETATM 1124 C  C12 . A1L0R C 3 .   ? 6.514   9.270   62.996 1.00 17.39 ? 302 A1L0R A C12 1 
HETATM 1125 F  F4  . A1L0R C 3 .   ? -4.523  11.620  56.912 1.00 28.05 ? 302 A1L0R A F4  1 
HETATM 1126 F  F2  . A1L0R C 3 .   ? -2.718  10.495  56.915 1.00 28.16 ? 302 A1L0R A F2  1 
HETATM 1127 F  F3  . A1L0R C 3 .   ? -4.091  10.361  55.274 1.00 27.17 ? 302 A1L0R A F3  1 
HETATM 1128 CL CL  . A1L0R C 3 .   ? -7.095  6.228   59.475 1.00 19.14 ? 302 A1L0R A CL  1 
HETATM 1129 N  N5  . A1L0R C 3 .   ? -4.191  10.335  59.571 1.00 19.08 ? 302 A1L0R A N5  1 
HETATM 1130 S  S   . A1L0R C 3 .   ? -6.240  12.091  59.848 1.00 25.12 ? 302 A1L0R A S   1 
HETATM 1131 N  N   . A1L0R C 3 .   ? -3.665  12.096  60.777 1.00 20.80 ? 302 A1L0R A N   1 
HETATM 1132 C  C   . A1L0R C 3 .   ? -3.714  13.381  61.539 1.00 15.87 ? 302 A1L0R A C   1 
HETATM 1133 C  C1  . A1L0R C 3 .   ? -2.874  10.216  60.033 1.00 16.66 ? 302 A1L0R A C1  1 
HETATM 1134 N  N1  . A1L0R C 3 .   ? -2.537  11.294  60.760 1.00 18.02 ? 302 A1L0R A N1  1 
HETATM 1135 C  C2  . A1L0R C 3 .   ? -2.027  8.985   59.851 1.00 15.87 ? 302 A1L0R A C2  1 
HETATM 1136 C  C7  . A1L0R C 3 .   ? -0.518  9.334   60.004 1.00 15.82 ? 302 A1L0R A C7  1 
HETATM 1137 O  O3  . A1L0R C 3 .   ? -0.117  10.228  59.043 1.00 15.90 ? 302 A1L0R A O3  1 
HETATM 1138 C  C6  . A1L0R C 3 .   ? 0.248   8.008   59.852 1.00 15.79 ? 302 A1L0R A C6  1 
HETATM 1139 C  C5  . A1L0R C 3 .   ? -0.234  6.990   60.937 1.00 15.80 ? 302 A1L0R A C5  1 
HETATM 1140 O  O2  . A1L0R C 3 .   ? -0.055  7.495   62.221 1.00 15.76 ? 302 A1L0R A O2  1 
HETATM 1141 C  C3  . A1L0R C 3 .   ? -1.756  6.814   60.726 1.00 15.81 ? 302 A1L0R A C3  1 
HETATM 1142 C  C4  . A1L0R C 3 .   ? -2.334  5.838   61.787 1.00 15.84 ? 302 A1L0R A C4  1 
HETATM 1143 O  O1  . A1L0R C 3 .   ? -3.670  5.648   61.505 1.00 15.85 ? 302 A1L0R A O1  1 
HETATM 1144 O  O   . A1L0R C 3 .   ? -2.411  8.073   60.868 1.00 16.10 ? 302 A1L0R A O   1 
HETATM 1145 N  N2  . A1L0R C 3 .   ? 1.699   8.217   59.922 1.00 14.65 ? 302 A1L0R A N2  1 
HETATM 1146 N  N4  . A1L0R C 3 .   ? 2.495   7.919   58.844 1.00 15.32 ? 302 A1L0R A N4  1 
HETATM 1147 N  N3  . A1L0R C 3 .   ? 3.703   8.206   59.126 1.00 16.95 ? 302 A1L0R A N3  1 
HETATM 1148 C  C9  . A1L0R C 3 .   ? 3.768   8.713   60.441 1.00 16.62 ? 302 A1L0R A C9  1 
HETATM 1149 C  C8  . A1L0R C 3 .   ? 2.470   8.723   60.947 1.00 15.78 ? 302 A1L0R A C8  1 
HETATM 1150 C  C10 . A1L0R C 3 .   ? 5.023   9.093   61.039 1.00 16.52 ? 302 A1L0R A C10 1 
HETATM 1151 C  C14 . A1L0R C 3 .   ? 7.304   9.913   60.802 1.00 15.89 ? 302 A1L0R A C14 1 
HETATM 1152 BR BR  . A1L0R C 3 .   ? 9.224   10.259  62.886 1.00 27.06 ? 302 A1L0R A BR  1 
HETATM 1153 F  F1  . A1L0R C 3 .   ? 6.637   9.187   64.311 1.00 18.13 ? 302 A1L0R A F1  1 
HETATM 1154 F  F   . A1L0R C 3 .   ? 4.329   8.531   63.259 1.00 17.40 ? 302 A1L0R A F   1 
HETATM 1155 H  H15 . A1L0R C 3 .   ? 5.899   9.763   59.173 1.00 15.83 ? 302 A1L0R A H15 1 
HETATM 1156 H  H16 . A1L0R C 3 .   ? -5.366  8.263   55.529 1.00 15.83 ? 302 A1L0R A H16 1 
HETATM 1157 H  H17 . A1L0R C 3 .   ? -6.676  6.563   56.757 1.00 15.83 ? 302 A1L0R A H17 1 
HETATM 1158 H  H18 . A1L0R C 3 .   ? -5.703  8.398   60.534 1.00 15.83 ? 302 A1L0R A H18 1 
HETATM 1159 H  H7  . A1L0R C 3 .   ? -4.169  14.161  60.930 1.00 15.83 ? 302 A1L0R A H7  1 
HETATM 1160 H  H5  . A1L0R C 3 .   ? -2.717  13.701  61.837 1.00 15.83 ? 302 A1L0R A H5  1 
HETATM 1161 H  H6  . A1L0R C 3 .   ? -4.325  13.259  62.433 1.00 15.83 ? 302 A1L0R A H6  1 
HETATM 1162 H  H   . A1L0R C 3 .   ? -2.223  8.579   58.859 1.00 15.83 ? 302 A1L0R A H   1 
HETATM 1163 H  H4  . A1L0R C 3 .   ? -0.316  9.826   60.955 1.00 15.83 ? 302 A1L0R A H4  1 
HETATM 1164 H  H12 . A1L0R C 3 .   ? -0.180  11.153  59.399 1.00 15.83 ? 302 A1L0R A H12 1 
HETATM 1165 H  H3  . A1L0R C 3 .   ? 0.039   7.588   58.869 1.00 15.83 ? 302 A1L0R A H3  1 
HETATM 1166 H  H2  . A1L0R C 3 .   ? 0.261   6.033   60.787 1.00 15.83 ? 302 A1L0R A H2  1 
HETATM 1167 H  H11 . A1L0R C 3 .   ? 0.765   7.087   62.602 1.00 15.83 ? 302 A1L0R A H11 1 
HETATM 1168 H  H1  . A1L0R C 3 .   ? -1.926  6.410   59.730 1.00 15.83 ? 302 A1L0R A H1  1 
HETATM 1169 H  H9  . A1L0R C 3 .   ? -2.137  6.163   62.807 1.00 15.83 ? 302 A1L0R A H9  1 
HETATM 1170 H  H8  . A1L0R C 3 .   ? -1.871  4.857   61.680 1.00 15.83 ? 302 A1L0R A H8  1 
HETATM 1171 H  H10 . A1L0R C 3 .   ? -4.061  5.231   62.315 1.00 15.83 ? 302 A1L0R A H10 1 
HETATM 1172 H  H13 . A1L0R C 3 .   ? 2.090   9.042   61.915 1.00 15.83 ? 302 A1L0R A H13 1 
HETATM 1173 H  H14 . A1L0R C 3 .   ? 8.107   10.288  60.170 1.00 15.83 ? 302 A1L0R A H14 1 
HETATM 1174 O  O   . HOH   D 4 .   ? 3.213   8.728   81.727 1.00 19.23 ? 401 HOH   A O   1 
HETATM 1175 O  O   . HOH   D 4 .   ? 17.985  -8.652  63.416 1.00 20.94 ? 402 HOH   A O   1 
HETATM 1176 O  O   . HOH   D 4 .   ? 7.294   1.008   53.071 1.00 18.37 ? 403 HOH   A O   1 
HETATM 1177 O  O   . HOH   D 4 .   ? 4.664   1.515   54.369 1.00 28.26 ? 404 HOH   A O   1 
HETATM 1178 O  O   . HOH   D 4 .   ? -16.839 1.487   60.139 1.00 34.05 ? 405 HOH   A O   1 
HETATM 1179 O  O   . HOH   D 4 .   ? 6.077   -16.956 53.876 1.00 25.12 ? 406 HOH   A O   1 
HETATM 1180 O  O   . HOH   D 4 .   ? 13.429  -9.145  74.246 1.00 15.98 ? 407 HOH   A O   1 
HETATM 1181 O  O   . HOH   D 4 .   ? -1.342  -5.940  50.631 1.00 19.84 ? 408 HOH   A O   1 
HETATM 1182 O  O   . HOH   D 4 .   ? 18.444  8.031   79.784 1.00 23.19 ? 409 HOH   A O   1 
HETATM 1183 O  O   . HOH   D 4 .   ? 5.888   5.718   60.841 1.00 18.68 ? 410 HOH   A O   1 
HETATM 1184 O  O   . HOH   D 4 .   ? -7.920  5.212   55.026 1.00 31.14 ? 411 HOH   A O   1 
HETATM 1185 O  O   . HOH   D 4 .   ? -7.382  -14.335 71.245 1.00 14.43 ? 412 HOH   A O   1 
HETATM 1186 O  O   . HOH   D 4 .   ? -7.348  -5.239  68.683 1.00 12.79 ? 413 HOH   A O   1 
HETATM 1187 O  O   . HOH   D 4 .   ? 13.107  17.640  71.145 1.00 26.11 ? 414 HOH   A O   1 
HETATM 1188 O  O   . HOH   D 4 .   ? 9.074   3.724   62.438 1.00 13.20 ? 415 HOH   A O   1 
HETATM 1189 O  O   . HOH   D 4 .   ? -5.072  10.068  62.849 1.00 19.85 ? 416 HOH   A O   1 
HETATM 1190 O  O   . HOH   D 4 .   ? 9.646   -16.408 56.495 1.00 15.28 ? 417 HOH   A O   1 
HETATM 1191 O  O   . HOH   D 4 .   ? -3.308  10.628  77.846 1.00 16.39 ? 418 HOH   A O   1 
HETATM 1192 O  O   . HOH   D 4 .   ? 10.702  -8.404  53.693 1.00 13.13 ? 419 HOH   A O   1 
HETATM 1193 O  O   . HOH   D 4 .   ? 16.989  -4.313  73.728 1.00 14.29 ? 420 HOH   A O   1 
HETATM 1194 O  O   . HOH   D 4 .   ? 12.537  -0.503  58.707 1.00 27.02 ? 421 HOH   A O   1 
HETATM 1195 O  O   . HOH   D 4 .   ? 9.876   -3.702  54.664 1.00 30.54 ? 422 HOH   A O   1 
HETATM 1196 O  O   . HOH   D 4 .   ? -5.250  -1.684  70.162 1.00 20.71 ? 423 HOH   A O   1 
HETATM 1197 O  O   . HOH   D 4 .   ? 1.386   -17.557 74.708 1.00 17.27 ? 424 HOH   A O   1 
HETATM 1198 O  O   . HOH   D 4 .   ? 3.255   14.290  82.982 1.00 13.99 ? 425 HOH   A O   1 
HETATM 1199 O  O   . HOH   D 4 .   ? -0.103  -9.179  62.568 1.00 9.43  ? 426 HOH   A O   1 
HETATM 1200 O  O   . HOH   D 4 .   ? -1.647  -6.955  61.968 1.00 11.50 ? 427 HOH   A O   1 
HETATM 1201 O  O   . HOH   D 4 .   ? -7.358  -10.778 75.404 1.00 30.11 ? 428 HOH   A O   1 
HETATM 1202 O  O   . HOH   D 4 .   ? 9.491   -6.840  55.591 1.00 12.88 ? 429 HOH   A O   1 
HETATM 1203 O  O   . HOH   D 4 .   ? -6.628  -5.317  65.184 1.00 16.23 ? 430 HOH   A O   1 
HETATM 1204 O  O   . HOH   D 4 .   ? 8.597   -18.557 69.859 1.00 17.60 ? 431 HOH   A O   1 
HETATM 1205 O  O   . HOH   D 4 .   ? 14.588  -8.802  57.233 1.00 14.06 ? 432 HOH   A O   1 
HETATM 1206 O  O   . HOH   D 4 .   ? 3.298   12.228  62.061 1.00 29.29 ? 433 HOH   A O   1 
HETATM 1207 O  O   . HOH   D 4 .   ? 6.028   14.367  79.498 1.00 20.63 ? 434 HOH   A O   1 
HETATM 1208 O  O   . HOH   D 4 .   ? 0.922   -0.400  52.663 1.00 8.99  ? 435 HOH   A O   1 
HETATM 1209 O  O   . HOH   D 4 .   ? -6.132  -1.307  51.714 1.00 28.85 ? 436 HOH   A O   1 
HETATM 1210 O  O   . HOH   D 4 .   ? 1.730   -2.138  50.108 1.00 19.32 ? 437 HOH   A O   1 
HETATM 1211 O  O   . HOH   D 4 .   ? -3.950  2.084   70.762 1.00 19.32 ? 438 HOH   A O   1 
HETATM 1212 O  O   . HOH   D 4 .   ? -7.590  -10.582 64.728 1.00 17.21 ? 439 HOH   A O   1 
HETATM 1213 O  O   . HOH   D 4 .   ? -6.861  -11.595 70.805 1.00 17.42 ? 440 HOH   A O   1 
HETATM 1214 O  O   . HOH   D 4 .   ? 1.494   7.036   56.002 1.00 29.93 ? 441 HOH   A O   1 
HETATM 1215 O  O   . HOH   D 4 .   ? 0.032   -10.641 49.922 1.00 28.57 ? 442 HOH   A O   1 
HETATM 1216 O  O   . HOH   D 4 .   ? -2.184  -11.597 76.124 1.00 26.44 ? 443 HOH   A O   1 
HETATM 1217 O  O   . HOH   D 4 .   ? 9.106   7.965   78.511 1.00 16.02 ? 444 HOH   A O   1 
HETATM 1218 O  O   . HOH   D 4 .   ? -3.220  13.418  77.686 1.00 13.67 ? 445 HOH   A O   1 
HETATM 1219 O  O   . HOH   D 4 .   ? -1.393  -17.985 65.647 1.00 12.77 ? 446 HOH   A O   1 
HETATM 1220 O  O   . HOH   D 4 .   ? 1.629   14.639  68.463 1.00 18.79 ? 447 HOH   A O   1 
HETATM 1221 O  O   . HOH   D 4 .   ? 0.100   -7.520  54.604 1.00 8.67  ? 448 HOH   A O   1 
HETATM 1222 O  O   . HOH   D 4 .   ? 1.713   10.700  63.915 1.00 29.58 ? 449 HOH   A O   1 
HETATM 1223 O  O   . HOH   D 4 .   ? 17.779  -9.767  68.906 1.00 28.38 ? 450 HOH   A O   1 
HETATM 1224 O  O   . HOH   D 4 .   ? -5.245  -1.221  56.388 1.00 29.61 ? 451 HOH   A O   1 
HETATM 1225 O  O   . HOH   D 4 .   ? 5.354   -17.509 62.338 1.00 19.65 ? 452 HOH   A O   1 
HETATM 1226 O  O   . HOH   D 4 .   ? 1.001   -5.274  83.976 1.00 23.57 ? 453 HOH   A O   1 
HETATM 1227 O  O   . HOH   D 4 .   ? 7.812   -3.276  79.426 1.00 12.56 ? 454 HOH   A O   1 
HETATM 1228 O  O   . HOH   D 4 .   ? 16.057  -9.245  73.961 1.00 18.43 ? 455 HOH   A O   1 
HETATM 1229 O  O   . HOH   D 4 .   ? 7.794   -14.953 51.525 1.00 18.60 ? 456 HOH   A O   1 
HETATM 1230 O  O   . HOH   D 4 .   ? -0.466  12.176  62.601 1.00 29.16 ? 457 HOH   A O   1 
HETATM 1231 O  O   . HOH   D 4 .   ? 1.314   -2.948  47.579 1.00 19.56 ? 458 HOH   A O   1 
HETATM 1232 O  O   . HOH   D 4 .   ? 1.559   -20.006 73.199 1.00 16.93 ? 459 HOH   A O   1 
HETATM 1233 O  O   . HOH   D 4 .   ? 9.328   6.087   80.363 1.00 18.42 ? 460 HOH   A O   1 
HETATM 1234 O  O   . HOH   D 4 .   ? 1.682   -6.818  78.369 1.00 31.34 ? 461 HOH   A O   1 
HETATM 1235 O  O   . HOH   D 4 .   ? -9.284  -1.648  59.358 1.00 19.31 ? 462 HOH   A O   1 
HETATM 1236 O  O   . HOH   D 4 .   ? 8.737   6.995   60.236 1.00 32.11 ? 463 HOH   A O   1 
HETATM 1237 O  O   . HOH   D 4 .   ? 15.963  -1.754  55.847 1.00 32.23 ? 464 HOH   A O   1 
HETATM 1238 O  O   . HOH   D 4 .   ? 10.425  18.523  78.041 1.00 27.73 ? 465 HOH   A O   1 
HETATM 1239 O  O   . HOH   D 4 .   ? -4.388  6.103   54.068 1.00 16.70 ? 466 HOH   A O   1 
HETATM 1240 O  O   . HOH   D 4 .   ? -6.054  -3.214  74.328 1.00 18.26 ? 467 HOH   A O   1 
HETATM 1241 O  O   . HOH   D 4 .   ? 7.508   7.351   82.143 1.00 11.70 ? 468 HOH   A O   1 
HETATM 1242 O  O   . HOH   D 4 .   ? 4.261   4.270   58.522 1.00 37.89 ? 469 HOH   A O   1 
HETATM 1243 O  O   . HOH   D 4 .   ? -9.507  4.355   57.084 1.00 38.37 ? 470 HOH   A O   1 
HETATM 1244 O  O   . HOH   D 4 .   ? 11.279  16.798  80.135 1.00 28.00 ? 471 HOH   A O   1 
HETATM 1245 O  O   . HOH   D 4 .   ? -8.288  9.558   70.945 1.00 23.86 ? 472 HOH   A O   1 
HETATM 1246 O  O   . HOH   D 4 .   ? 2.185   0.866   80.721 1.00 19.50 ? 473 HOH   A O   1 
HETATM 1247 O  O   . HOH   D 4 .   ? 19.320  -3.237  58.620 1.00 24.84 ? 474 HOH   A O   1 
HETATM 1248 O  O   . HOH   D 4 .   ? -6.219  11.026  74.626 1.00 28.86 ? 475 HOH   A O   1 
HETATM 1249 O  O   . HOH   D 4 .   ? -6.169  -0.399  73.786 1.00 35.86 ? 476 HOH   A O   1 
HETATM 1250 O  O   . HOH   D 4 .   ? -0.316  14.916  66.568 1.00 29.30 ? 477 HOH   A O   1 
HETATM 1251 O  O   . HOH   D 4 .   ? -10.346 5.427   62.154 1.00 23.07 ? 478 HOH   A O   1 
HETATM 1252 O  O   . HOH   D 4 .   ? 3.940   6.447   49.122 1.00 19.65 ? 479 HOH   A O   1 
HETATM 1253 O  O   . HOH   D 4 .   ? 13.095  9.789   63.071 1.00 19.15 ? 480 HOH   A O   1 
HETATM 1254 O  O   . HOH   D 4 .   ? -6.438  -2.656  58.342 1.00 14.83 ? 481 HOH   A O   1 
HETATM 1255 O  O   . HOH   D 4 .   ? -3.263  18.650  66.711 1.00 29.16 ? 482 HOH   A O   1 
HETATM 1256 O  O   . HOH   D 4 .   ? -1.678  -11.582 55.568 1.00 13.08 ? 483 HOH   A O   1 
HETATM 1257 O  O   . HOH   D 4 .   ? 4.060   -7.407  76.605 1.00 25.06 ? 484 HOH   A O   1 
HETATM 1258 O  O   . HOH   D 4 .   ? 13.225  2.333   59.966 1.00 43.69 ? 485 HOH   A O   1 
HETATM 1259 O  O   . HOH   D 4 .   ? 4.408   15.397  77.554 1.00 21.16 ? 486 HOH   A O   1 
HETATM 1260 O  O   . HOH   D 4 .   ? 8.260   -19.730 59.518 1.00 20.46 ? 487 HOH   A O   1 
HETATM 1261 O  O   . HOH   D 4 .   ? -5.691  -1.876  47.374 1.00 46.06 ? 488 HOH   A O   1 
HETATM 1262 O  O   . HOH   D 4 .   ? 24.803  5.815   66.663 1.00 34.54 ? 489 HOH   A O   1 
HETATM 1263 O  O   . HOH   D 4 .   ? 2.732   -17.295 59.437 1.00 12.57 ? 490 HOH   A O   1 
HETATM 1264 O  O   . HOH   D 4 .   ? 3.986   2.359   82.872 1.00 20.27 ? 491 HOH   A O   1 
HETATM 1265 O  O   . HOH   D 4 .   ? -10.425 -2.937  61.488 1.00 29.02 ? 492 HOH   A O   1 
HETATM 1266 O  O   . HOH   D 4 .   ? 10.088  17.418  67.823 1.00 40.10 ? 493 HOH   A O   1 
HETATM 1267 O  O   . HOH   D 4 .   ? 7.837   15.894  80.882 1.00 16.18 ? 494 HOH   A O   1 
HETATM 1268 O  O   . HOH   D 4 .   ? 14.054  -9.867  76.812 1.00 24.10 ? 495 HOH   A O   1 
HETATM 1269 O  O   . HOH   D 4 .   ? -9.228  -12.705 69.494 1.00 22.84 ? 496 HOH   A O   1 
HETATM 1270 O  O   . HOH   D 4 .   ? -9.050  -6.265  64.488 1.00 15.83 ? 497 HOH   A O   1 
HETATM 1271 O  O   . HOH   D 4 .   ? 15.131  -15.121 69.466 1.00 20.40 ? 498 HOH   A O   1 
HETATM 1272 O  O   . HOH   D 4 .   ? -9.138  -10.778 72.173 1.00 22.24 ? 499 HOH   A O   1 
HETATM 1273 O  O   . HOH   D 4 .   ? 19.439  -8.774  67.011 1.00 75.60 ? 500 HOH   A O   1 
HETATM 1274 O  O   . HOH   D 4 .   ? -1.704  7.934   53.889 1.00 34.61 ? 501 HOH   A O   1 
HETATM 1275 O  O   . HOH   D 4 .   ? -2.390  -8.644  54.829 1.00 15.10 ? 502 HOH   A O   1 
HETATM 1276 O  O   . HOH   D 4 .   ? -3.023  -8.447  52.009 1.00 32.47 ? 503 HOH   A O   1 
HETATM 1277 O  O   . HOH   D 4 .   ? -7.636  11.808  72.409 1.00 20.62 ? 504 HOH   A O   1 
HETATM 1278 O  O   . HOH   D 4 .   ? 19.652  -10.009 61.373 1.00 26.97 ? 505 HOH   A O   1 
HETATM 1279 O  O   . HOH   D 4 .   ? -11.319 10.065  69.167 1.00 36.78 ? 506 HOH   A O   1 
HETATM 1280 O  O   . HOH   D 4 .   ? -7.576  -5.079  57.918 1.00 34.86 ? 507 HOH   A O   1 
HETATM 1281 O  O   . HOH   D 4 .   ? 1.102   -18.701 64.804 1.00 16.96 ? 508 HOH   A O   1 
HETATM 1282 O  O   . HOH   D 4 .   ? 1.611   -20.778 66.497 1.00 49.39 ? 509 HOH   A O   1 
# 
