data_8RR7
# 
_entry.id   8RR7 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.401 
_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   8RR7         pdb_00008rr7 10.2210/pdb8rr7/pdb 
WWPDB D_1292136033 ?            ?                   
# 
_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       2025-01-29 
# 
_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                        8RR7 
_pdbx_database_status.recvd_initial_deposition_date   2024-01-22 
_pdbx_database_status.SG_entry                        N 
_pdbx_database_status.deposit_site                    PDBE 
_pdbx_database_status.process_site                    PDBE 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.status_code_nmr_data            ? 
_pdbx_database_status.methods_development_category    ? 
_pdbx_database_status.pdb_format_compatible           N 
# 
_pdbx_contact_author.id                 2 
_pdbx_contact_author.email              aengus.mac-sweeney@idorsia.com 
_pdbx_contact_author.name_first         Aengus 
_pdbx_contact_author.name_last          'Mac Sweeney' 
_pdbx_contact_author.name_mi            ? 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0001-7250-9541 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Mac Sweeney, A.' 1 ? 
'Sager, C.'       2 ? 
# 
_citation.abstract                  ? 
_citation.abstract_id_CAS           ? 
_citation.book_id_ISBN              ? 
_citation.book_publisher            ? 
_citation.book_publisher_city       ? 
_citation.book_title                ? 
_citation.coordinate_linkage        ? 
_citation.country                   ? 
_citation.database_id_Medline       ? 
_citation.details                   ? 
_citation.id                        primary 
_citation.journal_abbrev            'To Be Published' 
_citation.journal_id_ASTM           ? 
_citation.journal_id_CSD            0353 
_citation.journal_id_ISSN           ? 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            ? 
_citation.language                  ? 
_citation.page_first                ? 
_citation.page_last                 ? 
_citation.title                     'Galectin-3 with a small molecule inhibitor' 
_citation.year                      ? 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      ? 
_citation.pdbx_database_id_PubMed   ? 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Remen, L.'       1  ? 
primary 'Zumbrunn, C.'    2  ? 
primary 'Sager, C.P.'     3  ? 
primary 'Grisostomi, C.'  4  ? 
primary 'Mac Sweeney, A.' 5  ? 
primary 'Gatfield, J.'    6  ? 
primary 'Huehn, E.'       7  ? 
primary 'Vercauteren, E.' 8  ? 
primary 'Fournier, E.'    9  ? 
primary 'Schmidt, G.'     10 ? 
primary 'Davenport, R.'   11 ? 
primary 'Iglarz, M.'      12 ? 
primary 'Nayler, O.'      13 ? 
primary 'Bolli, M.H.'     14 ? 
# 
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 15701.049 1  ? ? ? ? 
2 non-polymer syn 
;(2~{R},3~{R},4~{S},5~{R},6~{R})-4-[4-[4-chloranyl-2,3-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-6-[[1-[(3~{R},4~{R})-3-fluoranyloxan-4-yl]-1,2,3-triazol-4-yl]methyl]-2-(hydroxymethyl)-5-methoxy-oxan-3-ol
;
558.938   1  ? ? ? ? 
3 non-polymer syn 'THIOCYANATE ION' 58.082    4  ? ? ? ? 
4 non-polymer syn 'MALONATE ION' 102.046   1  ? ? ? ? 
5 non-polymer syn 'CHLORIDE ION' 35.453    1  ? ? ? ? 
6 water       nat water 18.015    56 ? ? ? ? 
# 
_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       
;PLIVPYNLPLPGGVVPRMLITILGTVKPNANRIALDFQRGNDVAFHFNPRFNENNRRVIVCNTKLDNNWGREERQSVFPF
ESGKPFKIQVLVEPDHFKVAVNDAHLLQYNHRVKKLNEISKLGISGDIDLTSASYTMI
;
_entity_poly.pdbx_seq_one_letter_code_can   
;PLIVPYNLPLPGGVVPRMLITILGTVKPNANRIALDFQRGNDVAFHFNPRFNENNRRVIVCNTKLDNNWGREERQSVFPF
ESGKPFKIQVLVEPDHFKVAVNDAHLLQYNHRVKKLNEISKLGISGDIDLTSASYTMI
;
_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 
;(2~{R},3~{R},4~{S},5~{R},6~{R})-4-[4-[4-chloranyl-2,3-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-6-[[1-[(3~{R},4~{R})-3-fluoranyloxan-4-yl]-1,2,3-triazol-4-yl]methyl]-2-(hydroxymethyl)-5-methoxy-oxan-3-ol
;
A1H2T 
3 'THIOCYANATE ION' SCN   
4 'MALONATE ION' MLI   
5 'CHLORIDE ION' CL    
6 water HOH   
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   PRO n 
1 2   LEU n 
1 3   ILE n 
1 4   VAL n 
1 5   PRO n 
1 6   TYR n 
1 7   ASN n 
1 8   LEU n 
1 9   PRO n 
1 10  LEU n 
1 11  PRO n 
1 12  GLY n 
1 13  GLY n 
1 14  VAL n 
1 15  VAL n 
1 16  PRO n 
1 17  ARG n 
1 18  MET n 
1 19  LEU n 
1 20  ILE n 
1 21  THR n 
1 22  ILE n 
1 23  LEU n 
1 24  GLY n 
1 25  THR n 
1 26  VAL n 
1 27  LYS n 
1 28  PRO n 
1 29  ASN n 
1 30  ALA n 
1 31  ASN n 
1 32  ARG n 
1 33  ILE n 
1 34  ALA n 
1 35  LEU n 
1 36  ASP n 
1 37  PHE n 
1 38  GLN n 
1 39  ARG n 
1 40  GLY n 
1 41  ASN n 
1 42  ASP n 
1 43  VAL n 
1 44  ALA n 
1 45  PHE n 
1 46  HIS n 
1 47  PHE n 
1 48  ASN n 
1 49  PRO n 
1 50  ARG n 
1 51  PHE n 
1 52  ASN n 
1 53  GLU n 
1 54  ASN n 
1 55  ASN n 
1 56  ARG n 
1 57  ARG n 
1 58  VAL n 
1 59  ILE n 
1 60  VAL n 
1 61  CYS n 
1 62  ASN n 
1 63  THR n 
1 64  LYS n 
1 65  LEU n 
1 66  ASP n 
1 67  ASN n 
1 68  ASN n 
1 69  TRP n 
1 70  GLY n 
1 71  ARG n 
1 72  GLU n 
1 73  GLU n 
1 74  ARG n 
1 75  GLN n 
1 76  SER n 
1 77  VAL n 
1 78  PHE n 
1 79  PRO n 
1 80  PHE n 
1 81  GLU n 
1 82  SER n 
1 83  GLY n 
1 84  LYS n 
1 85  PRO n 
1 86  PHE n 
1 87  LYS n 
1 88  ILE n 
1 89  GLN n 
1 90  VAL n 
1 91  LEU n 
1 92  VAL n 
1 93  GLU n 
1 94  PRO n 
1 95  ASP n 
1 96  HIS n 
1 97  PHE n 
1 98  LYS n 
1 99  VAL n 
1 100 ALA n 
1 101 VAL n 
1 102 ASN n 
1 103 ASP n 
1 104 ALA n 
1 105 HIS n 
1 106 LEU n 
1 107 LEU n 
1 108 GLN n 
1 109 TYR n 
1 110 ASN n 
1 111 HIS n 
1 112 ARG n 
1 113 VAL n 
1 114 LYS n 
1 115 LYS n 
1 116 LEU n 
1 117 ASN n 
1 118 GLU n 
1 119 ILE n 
1 120 SER n 
1 121 LYS n 
1 122 LEU n 
1 123 GLY n 
1 124 ILE n 
1 125 SER n 
1 126 GLY n 
1 127 ASP n 
1 128 ILE n 
1 129 ASP n 
1 130 LEU n 
1 131 THR n 
1 132 SER n 
1 133 ALA n 
1 134 SER n 
1 135 TYR n 
1 136 THR n 
1 137 MET n 
1 138 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                   138 
_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' 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     562 
_entity_src_gen.host_org_genus                     ? 
_entity_src_gen.pdbx_host_org_gene                 ? 
_entity_src_gen.pdbx_host_org_organ                ? 
_entity_src_gen.host_org_species                   ? 
_entity_src_gen.pdbx_host_org_tissue               ? 
_entity_src_gen.pdbx_host_org_tissue_fraction      ? 
_entity_src_gen.pdbx_host_org_strain               ? 
_entity_src_gen.pdbx_host_org_variant              ? 
_entity_src_gen.pdbx_host_org_cell_line            ? 
_entity_src_gen.pdbx_host_org_atcc                 ? 
_entity_src_gen.pdbx_host_org_culture_collection   ? 
_entity_src_gen.pdbx_host_org_cell                 ? 
_entity_src_gen.pdbx_host_org_organelle            ? 
_entity_src_gen.pdbx_host_org_cellular_location    ? 
_entity_src_gen.pdbx_host_org_vector_type          ? 
_entity_src_gen.pdbx_host_org_vector               ? 
_entity_src_gen.host_org_details                   ? 
_entity_src_gen.expression_system_id               ? 
_entity_src_gen.plasmid_name                       ? 
_entity_src_gen.plasmid_details                    ? 
_entity_src_gen.pdbx_description                   ? 
# 
loop_
_chem_comp.id 
_chem_comp.type 
_chem_comp.mon_nstd_flag 
_chem_comp.name 
_chem_comp.pdbx_synonyms 
_chem_comp.formula 
_chem_comp.formula_weight 
A1H2T non-polymer         . 
;(2~{R},3~{R},4~{S},5~{R},6~{R})-4-[4-[4-chloranyl-2,3-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-6-[[1-[(3~{R},4~{R})-3-fluoranyloxan-4-yl]-1,2,3-triazol-4-yl]methyl]-2-(hydroxymethyl)-5-methoxy-oxan-3-ol
;
? 'C23 H26 Cl F3 N6 O5' 558.938 
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 
CL    non-polymer         . 'CHLORIDE ION' ? 'Cl -1'               35.453  
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 
MLI   non-polymer         . 'MALONATE ION' ? 'C3 H2 O4 -2'         102.046 
PHE   'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2'         165.189 
PRO   'L-peptide linking' y PROLINE ? 'C5 H9 N O2'          115.130 
SCN   non-polymer         . 'THIOCYANATE ION' ? 'C N S -1'            58.082  
SER   'L-peptide linking' y SERINE ? 'C3 H7 N O3'          105.093 
THR   'L-peptide linking' y THREONINE ? 'C4 H9 N O3'          119.119 
TRP   'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2'       204.225 
TYR   'L-peptide linking' y TYROSINE ? 'C9 H11 N O3'         181.189 
VAL   'L-peptide linking' y VALINE ? 'C5 H11 N O2'         117.146 
# 
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   PRO 1   113 113 PRO PRO A . n 
A 1 2   LEU 2   114 114 LEU LEU A . n 
A 1 3   ILE 3   115 115 ILE ILE A . n 
A 1 4   VAL 4   116 116 VAL VAL A . n 
A 1 5   PRO 5   117 117 PRO PRO A . n 
A 1 6   TYR 6   118 118 TYR TYR A . n 
A 1 7   ASN 7   119 119 ASN ASN A . n 
A 1 8   LEU 8   120 120 LEU LEU A . n 
A 1 9   PRO 9   121 121 PRO PRO A . n 
A 1 10  LEU 10  122 122 LEU LEU A . n 
A 1 11  PRO 11  123 123 PRO PRO A . n 
A 1 12  GLY 12  124 124 GLY GLY A . n 
A 1 13  GLY 13  125 125 GLY GLY A . n 
A 1 14  VAL 14  126 126 VAL VAL A . n 
A 1 15  VAL 15  127 127 VAL VAL A . n 
A 1 16  PRO 16  128 128 PRO PRO A . n 
A 1 17  ARG 17  129 129 ARG ARG A . n 
A 1 18  MET 18  130 130 MET MET A . n 
A 1 19  LEU 19  131 131 LEU LEU A . n 
A 1 20  ILE 20  132 132 ILE ILE A . n 
A 1 21  THR 21  133 133 THR THR A . n 
A 1 22  ILE 22  134 134 ILE ILE A . n 
A 1 23  LEU 23  135 135 LEU LEU A . n 
A 1 24  GLY 24  136 136 GLY GLY A . n 
A 1 25  THR 25  137 137 THR THR A . n 
A 1 26  VAL 26  138 138 VAL VAL A . n 
A 1 27  LYS 27  139 139 LYS LYS A . n 
A 1 28  PRO 28  140 140 PRO PRO A . n 
A 1 29  ASN 29  141 141 ASN ASN A . n 
A 1 30  ALA 30  142 142 ALA ALA A . n 
A 1 31  ASN 31  143 143 ASN ASN A . n 
A 1 32  ARG 32  144 144 ARG ARG A . n 
A 1 33  ILE 33  145 145 ILE ILE A . n 
A 1 34  ALA 34  146 146 ALA ALA A . n 
A 1 35  LEU 35  147 147 LEU LEU A . n 
A 1 36  ASP 36  148 148 ASP ASP A . n 
A 1 37  PHE 37  149 149 PHE PHE A . n 
A 1 38  GLN 38  150 150 GLN GLN A . n 
A 1 39  ARG 39  151 151 ARG ARG A . n 
A 1 40  GLY 40  152 152 GLY GLY A . n 
A 1 41  ASN 41  153 153 ASN ASN A . n 
A 1 42  ASP 42  154 154 ASP ASP A . n 
A 1 43  VAL 43  155 155 VAL VAL A . n 
A 1 44  ALA 44  156 156 ALA ALA A . n 
A 1 45  PHE 45  157 157 PHE PHE A . n 
A 1 46  HIS 46  158 158 HIS HIS A . n 
A 1 47  PHE 47  159 159 PHE PHE A . n 
A 1 48  ASN 48  160 160 ASN ASN A . n 
A 1 49  PRO 49  161 161 PRO PRO A . n 
A 1 50  ARG 50  162 162 ARG ARG A . n 
A 1 51  PHE 51  163 163 PHE PHE A . n 
A 1 52  ASN 52  164 164 ASN ASN A . n 
A 1 53  GLU 53  165 165 GLU GLU A . n 
A 1 54  ASN 54  166 166 ASN ASN A . n 
A 1 55  ASN 55  167 167 ASN ASN A . n 
A 1 56  ARG 56  168 168 ARG ARG A . n 
A 1 57  ARG 57  169 169 ARG ARG A . n 
A 1 58  VAL 58  170 170 VAL VAL A . n 
A 1 59  ILE 59  171 171 ILE ILE A . n 
A 1 60  VAL 60  172 172 VAL VAL A . n 
A 1 61  CYS 61  173 173 CYS CYS A . n 
A 1 62  ASN 62  174 174 ASN ASN A . n 
A 1 63  THR 63  175 175 THR THR A . n 
A 1 64  LYS 64  176 176 LYS LYS A . n 
A 1 65  LEU 65  177 177 LEU LEU A . n 
A 1 66  ASP 66  178 178 ASP ASP A . n 
A 1 67  ASN 67  179 179 ASN ASN A . n 
A 1 68  ASN 68  180 180 ASN ASN A . n 
A 1 69  TRP 69  181 181 TRP TRP A . n 
A 1 70  GLY 70  182 182 GLY GLY A . n 
A 1 71  ARG 71  183 183 ARG ARG A . n 
A 1 72  GLU 72  184 184 GLU GLU A . n 
A 1 73  GLU 73  185 185 GLU GLU A . n 
A 1 74  ARG 74  186 186 ARG ARG A . n 
A 1 75  GLN 75  187 187 GLN GLN A . n 
A 1 76  SER 76  188 188 SER SER A . n 
A 1 77  VAL 77  189 189 VAL VAL A . n 
A 1 78  PHE 78  190 190 PHE PHE A . n 
A 1 79  PRO 79  191 191 PRO PRO A . n 
A 1 80  PHE 80  192 192 PHE PHE A . n 
A 1 81  GLU 81  193 193 GLU GLU A . n 
A 1 82  SER 82  194 194 SER SER A . n 
A 1 83  GLY 83  195 195 GLY GLY A . n 
A 1 84  LYS 84  196 196 LYS LYS A . n 
A 1 85  PRO 85  197 197 PRO PRO A . n 
A 1 86  PHE 86  198 198 PHE PHE A . n 
A 1 87  LYS 87  199 199 LYS LYS A . n 
A 1 88  ILE 88  200 200 ILE ILE A . n 
A 1 89  GLN 89  201 201 GLN GLN A . n 
A 1 90  VAL 90  202 202 VAL VAL A . n 
A 1 91  LEU 91  203 203 LEU LEU A . n 
A 1 92  VAL 92  204 204 VAL VAL A . n 
A 1 93  GLU 93  205 205 GLU GLU A . n 
A 1 94  PRO 94  206 206 PRO PRO A . n 
A 1 95  ASP 95  207 207 ASP ASP A . n 
A 1 96  HIS 96  208 208 HIS HIS A . n 
A 1 97  PHE 97  209 209 PHE PHE A . n 
A 1 98  LYS 98  210 210 LYS LYS A . n 
A 1 99  VAL 99  211 211 VAL VAL A . n 
A 1 100 ALA 100 212 212 ALA ALA A . n 
A 1 101 VAL 101 213 213 VAL VAL A . n 
A 1 102 ASN 102 214 214 ASN ASN A . n 
A 1 103 ASP 103 215 215 ASP ASP A . n 
A 1 104 ALA 104 216 216 ALA ALA A . n 
A 1 105 HIS 105 217 217 HIS HIS A . n 
A 1 106 LEU 106 218 218 LEU LEU A . n 
A 1 107 LEU 107 219 219 LEU LEU A . n 
A 1 108 GLN 108 220 220 GLN GLN A . n 
A 1 109 TYR 109 221 221 TYR TYR A . n 
A 1 110 ASN 110 222 222 ASN ASN A . n 
A 1 111 HIS 111 223 223 HIS HIS A . n 
A 1 112 ARG 112 224 224 ARG ARG A . n 
A 1 113 VAL 113 225 225 VAL VAL A . n 
A 1 114 LYS 114 226 226 LYS LYS A . n 
A 1 115 LYS 115 227 227 LYS LYS A . n 
A 1 116 LEU 116 228 228 LEU LEU A . n 
A 1 117 ASN 117 229 229 ASN ASN A . n 
A 1 118 GLU 118 230 230 GLU GLU A . n 
A 1 119 ILE 119 231 231 ILE ILE A . n 
A 1 120 SER 120 232 232 SER SER A . n 
A 1 121 LYS 121 233 233 LYS LYS A . n 
A 1 122 LEU 122 234 234 LEU LEU A . n 
A 1 123 GLY 123 235 235 GLY GLY A . n 
A 1 124 ILE 124 236 236 ILE ILE A . n 
A 1 125 SER 125 237 237 SER SER A . n 
A 1 126 GLY 126 238 238 GLY GLY A . n 
A 1 127 ASP 127 239 239 ASP ASP A . n 
A 1 128 ILE 128 240 240 ILE ILE A . n 
A 1 129 ASP 129 241 241 ASP ASP A . n 
A 1 130 LEU 130 242 242 LEU LEU A . n 
A 1 131 THR 131 243 243 THR THR A . n 
A 1 132 SER 132 244 244 SER SER A . n 
A 1 133 ALA 133 245 245 ALA ALA A . n 
A 1 134 SER 134 246 246 SER SER A . n 
A 1 135 TYR 135 247 247 TYR TYR A . n 
A 1 136 THR 136 248 248 THR THR A . n 
A 1 137 MET 137 249 249 MET MET A . n 
A 1 138 ILE 138 250 250 ILE ILE A . n 
# 
_pdbx_entity_instance_feature.ordinal        1 
_pdbx_entity_instance_feature.comp_id        A1H2T 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   A1H2T 
_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 A1H2T 1  301 301 A1H2T LIG A . 
C 3 SCN   1  302 401 SCN   SCN A . 
D 3 SCN   1  303 501 SCN   SCN A . 
E 3 SCN   1  304 601 SCN   SCN A . 
F 3 SCN   1  305 701 SCN   SCN A . 
G 4 MLI   1  306 802 MLI   MLI A . 
H 5 CL    1  307 1   CL    CL  A . 
I 6 HOH   1  401 33  HOH   HOH A . 
I 6 HOH   2  402 51  HOH   HOH A . 
I 6 HOH   3  403 41  HOH   HOH A . 
I 6 HOH   4  404 59  HOH   HOH A . 
I 6 HOH   5  405 42  HOH   HOH A . 
I 6 HOH   6  406 35  HOH   HOH A . 
I 6 HOH   7  407 21  HOH   HOH A . 
I 6 HOH   8  408 11  HOH   HOH A . 
I 6 HOH   9  409 36  HOH   HOH A . 
I 6 HOH   10 410 58  HOH   HOH A . 
I 6 HOH   11 411 29  HOH   HOH A . 
I 6 HOH   12 412 49  HOH   HOH A . 
I 6 HOH   13 413 65  HOH   HOH A . 
I 6 HOH   14 414 46  HOH   HOH A . 
I 6 HOH   15 415 18  HOH   HOH A . 
I 6 HOH   16 416 2   HOH   HOH A . 
I 6 HOH   17 417 5   HOH   HOH A . 
I 6 HOH   18 418 24  HOH   HOH A . 
I 6 HOH   19 419 20  HOH   HOH A . 
I 6 HOH   20 420 12  HOH   HOH A . 
I 6 HOH   21 421 53  HOH   HOH A . 
I 6 HOH   22 422 10  HOH   HOH A . 
I 6 HOH   23 423 17  HOH   HOH A . 
I 6 HOH   24 424 3   HOH   HOH A . 
I 6 HOH   25 425 43  HOH   HOH A . 
I 6 HOH   26 426 15  HOH   HOH A . 
I 6 HOH   27 427 45  HOH   HOH A . 
I 6 HOH   28 428 61  HOH   HOH A . 
I 6 HOH   29 429 22  HOH   HOH A . 
I 6 HOH   30 430 26  HOH   HOH A . 
I 6 HOH   31 431 4   HOH   HOH A . 
I 6 HOH   32 432 8   HOH   HOH A . 
I 6 HOH   33 433 13  HOH   HOH A . 
I 6 HOH   34 434 9   HOH   HOH A . 
I 6 HOH   35 435 60  HOH   HOH A . 
I 6 HOH   36 436 6   HOH   HOH A . 
I 6 HOH   37 437 39  HOH   HOH A . 
I 6 HOH   38 438 54  HOH   HOH A . 
I 6 HOH   39 439 62  HOH   HOH A . 
I 6 HOH   40 440 44  HOH   HOH A . 
I 6 HOH   41 441 23  HOH   HOH A . 
I 6 HOH   42 442 28  HOH   HOH A . 
I 6 HOH   43 443 38  HOH   HOH A . 
I 6 HOH   44 444 63  HOH   HOH A . 
I 6 HOH   45 445 27  HOH   HOH A . 
I 6 HOH   46 446 64  HOH   HOH A . 
I 6 HOH   47 447 34  HOH   HOH A . 
I 6 HOH   48 448 16  HOH   HOH A . 
I 6 HOH   49 449 57  HOH   HOH A . 
I 6 HOH   50 450 55  HOH   HOH A . 
I 6 HOH   51 451 40  HOH   HOH A . 
I 6 HOH   52 452 56  HOH   HOH A . 
I 6 HOH   53 453 30  HOH   HOH A . 
I 6 HOH   54 454 31  HOH   HOH A . 
I 6 HOH   55 455 50  HOH   HOH A . 
I 6 HOH   56 456 48  HOH   HOH A . 
# 
loop_
_software.citation_id 
_software.classification 
_software.compiler_name 
_software.compiler_version 
_software.contact_author 
_software.contact_author_email 
_software.date 
_software.description 
_software.dependencies 
_software.hardware 
_software.language 
_software.location 
_software.mods 
_software.name 
_software.os 
_software.os_version 
_software.type 
_software.version 
_software.pdbx_ordinal 
? refinement       ? ? ? ? ? ? ? ? ? ? ? REFMAC   ? ? ? 5.8.0419 1 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? autoPROC ? ? ? .        2 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? XSCALE   ? ? ? .        3 
? phasing          ? ? ? ? ? ? ? ? ? ? ? PHASER   ? ? ? .        4 
# 
_cell.angle_alpha                  90.000 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   90.000 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  90.000 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     8RR7 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     34.466 
_cell.length_a_esd                 ? 
_cell.length_b                     57.704 
_cell.length_b_esd                 ? 
_cell.length_c                     62.571 
_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                         8RR7 
_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                   8RR7 
_exptl.crystals_number            1 
_exptl.details                    ? 
_exptl.method                     'X-RAY DIFFRACTION' 
_exptl.method_details             ? 
# 
_exptl_crystal.colour                       ? 
_exptl_crystal.density_diffrn               ? 
_exptl_crystal.density_Matthews             1.98 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          37.83 
_exptl_crystal.description                  ? 
_exptl_crystal.F_000                        ? 
_exptl_crystal.id                           1 
_exptl_crystal.preparation                  ? 
_exptl_crystal.size_max                     ? 
_exptl_crystal.size_mid                     ? 
_exptl_crystal.size_min                     ? 
_exptl_crystal.size_rad                     ? 
_exptl_crystal.colour_lustre                ? 
_exptl_crystal.colour_modifier              ? 
_exptl_crystal.colour_primary               ? 
_exptl_crystal.density_meas                 ? 
_exptl_crystal.density_meas_esd             ? 
_exptl_crystal.density_meas_gt              ? 
_exptl_crystal.density_meas_lt              ? 
_exptl_crystal.density_meas_temp            ? 
_exptl_crystal.density_meas_temp_esd        ? 
_exptl_crystal.density_meas_temp_gt         ? 
_exptl_crystal.density_meas_temp_lt         ? 
_exptl_crystal.pdbx_crystal_image_url       ? 
_exptl_crystal.pdbx_crystal_image_format    ? 
_exptl_crystal.pdbx_mosaicity               ? 
_exptl_crystal.pdbx_mosaicity_esd           ? 
_exptl_crystal.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    
;1.8 M Ammonium citrate
pH 7.0
;
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            293 
# 
_diffrn.ambient_environment              ? 
_diffrn.ambient_temp                     100 
_diffrn.ambient_temp_details             ? 
_diffrn.ambient_temp_esd                 ? 
_diffrn.crystal_id                       1 
_diffrn.crystal_support                  ? 
_diffrn.crystal_treatment                ? 
_diffrn.details                          ? 
_diffrn.id                               1 
_diffrn.ambient_pressure                 ? 
_diffrn.ambient_pressure_esd             ? 
_diffrn.ambient_pressure_gt              ? 
_diffrn.ambient_pressure_lt              ? 
_diffrn.ambient_temp_gt                  ? 
_diffrn.ambient_temp_lt                  ? 
_diffrn.pdbx_serial_crystal_experiment   N 
# 
_diffrn_detector.details                      ? 
_diffrn_detector.detector                     PIXEL 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         'DECTRIS PILATUS 2M' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2022-01-30 
_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   1.00 
_diffrn_radiation_wavelength.wt           1.0 
# 
_diffrn_source.current                     ? 
_diffrn_source.details                     ? 
_diffrn_source.diffrn_id                   1 
_diffrn_source.power                       ? 
_diffrn_source.size                        ? 
_diffrn_source.source                      SYNCHROTRON 
_diffrn_source.target                      ? 
_diffrn_source.type                        'SLS BEAMLINE X06DA' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        1.00 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   X06DA 
_diffrn_source.pdbx_synchrotron_site       SLS 
# 
_reflns.B_iso_Wilson_estimate                          ? 
_reflns.entry_id                                       8RR7 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.59 
_reflns.d_resolution_low                               30.2 
_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                                     17071 
_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                           98.4 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                6.5 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          8.9 
_reflns.pdbx_res_netI_over_av_sigmaI_2                 ? 
_reflns.pdbx_res_netI_over_sigmaI_2                    ? 
_reflns.pdbx_chi_squared                               ? 
_reflns.pdbx_scaling_rejects                           ? 
_reflns.pdbx_d_res_high_opt                            ? 
_reflns.pdbx_d_res_low_opt                             ? 
_reflns.pdbx_d_res_opt_method                          ? 
_reflns.phase_calculation_details                      ? 
_reflns.pdbx_Rrim_I_all                                0.145 
_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                                   0.998 
_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                                    1.59 
_reflns_shell.d_res_low                                     1.62 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           2.3 
_reflns_shell.number_measured_all                           ? 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             854 
_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                               1.03 
_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                                  0.78 
_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]                            -0.171 
_refine.aniso_B[1][2]                            -0.000 
_refine.aniso_B[1][3]                            -0.000 
_refine.aniso_B[2][2]                            0.074 
_refine.aniso_B[2][3]                            -0.000 
_refine.aniso_B[3][3]                            0.097 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               15.903 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               0.913 
_refine.correlation_coeff_Fo_to_Fc_free          0.913 
_refine.details                                  'Hydrogens have not been used' 
_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                                 8RR7 
_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                            1.600 
_refine.ls_d_res_low                             30.2 
_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                     16839 
_refine.ls_number_reflns_R_free                  847 
_refine.ls_number_reflns_R_work                  15992 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    98.583 
_refine.ls_percent_reflns_R_free                 5.030 
_refine.ls_R_factor_all                          0.229 
_refine.ls_R_factor_obs                          ? 
_refine.ls_R_factor_R_free                       0.2535 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.2277 
_refine.ls_R_Fsqd_factor_obs                     ? 
_refine.ls_R_I_factor_obs                        ? 
_refine.ls_redundancy_reflns_all                 ? 
_refine.ls_redundancy_reflns_obs                 ? 
_refine.ls_restrained_S_all                      ? 
_refine.ls_restrained_S_obs                      ? 
_refine.ls_shift_over_esd_max                    ? 
_refine.ls_shift_over_esd_mean                   ? 
_refine.ls_structure_factor_coef                 ? 
_refine.ls_weighting_details                     ? 
_refine.ls_weighting_scheme                      ? 
_refine.ls_wR_factor_all                         ? 
_refine.ls_wR_factor_obs                         ? 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_wR_factor_R_work                      ? 
_refine.occupancy_max                            ? 
_refine.occupancy_min                            ? 
_refine.solvent_model_details                    'MASK BULK SOLVENT' 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_R_complete                          ? 
_refine.ls_R_factor_gt                           ? 
_refine.ls_goodness_of_fit_gt                    ? 
_refine.ls_goodness_of_fit_ref                   ? 
_refine.ls_shift_over_su_max                     ? 
_refine.ls_shift_over_su_max_lt                  ? 
_refine.ls_shift_over_su_mean                    ? 
_refine.ls_shift_over_su_mean_lt                 ? 
_refine.pdbx_ls_sigma_I                          ? 
_refine.pdbx_ls_sigma_F                          ? 
_refine.pdbx_ls_sigma_Fsqd                       ? 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.pdbx_ls_cross_valid_method               'FREE R-VALUE' 
_refine.pdbx_method_to_determine_struct          'MOLECULAR REPLACEMENT' 
_refine.pdbx_starting_model                      ? 
_refine.pdbx_stereochemistry_target_values       ? 
_refine.pdbx_R_Free_selection_details            ? 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_overall_ESU_R                       0.128 
_refine.pdbx_overall_ESU_R_Free                  0.117 
_refine.pdbx_solvent_vdw_probe_radii             1.200 
_refine.pdbx_solvent_ion_probe_radii             0.800 
_refine.pdbx_solvent_shrinkage_radii             0.800 
_refine.pdbx_real_space_R                        ? 
_refine.pdbx_density_correlation                 ? 
_refine.pdbx_pd_number_of_powder_patterns        ? 
_refine.pdbx_pd_number_of_points                 ? 
_refine.pdbx_pd_meas_number_of_points            ? 
_refine.pdbx_pd_proc_ls_prof_R_factor            ? 
_refine.pdbx_pd_proc_ls_prof_wR_factor           ? 
_refine.pdbx_pd_Marquardt_correlation_coeff      ? 
_refine.pdbx_pd_Fsqrd_R_factor                   ? 
_refine.pdbx_pd_ls_matrix_band_width             ? 
_refine.pdbx_overall_phase_error                 ? 
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI   ? 
_refine.pdbx_overall_SU_R_free_Blow_DPI          ? 
_refine.pdbx_overall_SU_R_Blow_DPI               ? 
_refine.pdbx_TLS_residual_ADP_flag               ? 
_refine.pdbx_diffrn_id                           1 
_refine.overall_SU_B                             2.581 
_refine.overall_SU_ML                            0.090 
_refine.overall_SU_R_Cruickshank_DPI             ? 
_refine.overall_SU_R_free                        ? 
_refine.overall_FOM_free_R_set                   ? 
_refine.overall_FOM_work_R_set                   ? 
_refine.pdbx_average_fsc_overall                 ? 
_refine.pdbx_average_fsc_work                    ? 
_refine.pdbx_average_fsc_free                    ? 
# 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.cycle_id                         LAST 
_refine_hist.details                          ? 
_refine_hist.d_res_high                       1.600 
_refine_hist.d_res_low                        30.2 
_refine_hist.number_atoms_solvent             56 
_refine_hist.number_atoms_total               1222 
_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        1108 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         58 
_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' ? 0.002  0.012  1251 ? r_bond_refined_d               ? ? 
'X-RAY DIFFRACTION' ? 1.082  1.845  1704 ? r_angle_refined_deg            ? ? 
'X-RAY DIFFRACTION' ? 7.035  5.000  150  ? r_dihedral_angle_1_deg         ? ? 
'X-RAY DIFFRACTION' ? 2.920  5.000  10   ? r_dihedral_angle_2_deg         ? ? 
'X-RAY DIFFRACTION' ? 10.407 10.000 203  ? r_dihedral_angle_3_deg         ? ? 
'X-RAY DIFFRACTION' ? 10.558 10.000 60   ? r_dihedral_angle_6_deg         ? ? 
'X-RAY DIFFRACTION' ? 0.069  0.200  179  ? r_chiral_restr                 ? ? 
'X-RAY DIFFRACTION' ? 0.003  0.020  968  ? r_gen_planes_refined           ? ? 
'X-RAY DIFFRACTION' ? 0.181  0.200  449  ? r_nbd_refined                  ? ? 
'X-RAY DIFFRACTION' ? 0.308  0.200  776  ? r_nbtor_refined                ? ? 
'X-RAY DIFFRACTION' ? 0.108  0.200  78   ? r_xyhbond_nbd_refined          ? ? 
'X-RAY DIFFRACTION' ? 0.168  0.200  51   ? r_symmetry_nbd_refined         ? ? 
'X-RAY DIFFRACTION' ? 0.160  0.200  8    ? r_symmetry_xyhbond_nbd_refined ? ? 
'X-RAY DIFFRACTION' ? 0.522  1.446  586  ? r_mcbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 0.879  2.578  735  ? r_mcangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 0.824  1.602  665  ? r_scbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 1.376  2.885  968  ? r_scangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 3.560  19.323 1756 ? r_lrange_it                    ? ? 
# 
loop_
_refine_ls_shell.pdbx_refine_id 
_refine_ls_shell.d_res_high 
_refine_ls_shell.d_res_low 
_refine_ls_shell.number_reflns_all 
_refine_ls_shell.number_reflns_obs 
_refine_ls_shell.number_reflns_R_free 
_refine_ls_shell.number_reflns_R_work 
_refine_ls_shell.percent_reflns_obs 
_refine_ls_shell.percent_reflns_R_free 
_refine_ls_shell.R_factor_all 
_refine_ls_shell.R_factor_obs 
_refine_ls_shell.R_factor_R_free_error 
_refine_ls_shell.R_factor_R_work 
_refine_ls_shell.redundancy_reflns_all 
_refine_ls_shell.redundancy_reflns_obs 
_refine_ls_shell.wR_factor_all 
_refine_ls_shell.wR_factor_obs 
_refine_ls_shell.wR_factor_R_free 
_refine_ls_shell.wR_factor_R_work 
_refine_ls_shell.pdbx_R_complete 
_refine_ls_shell.pdbx_total_number_of_bins_used 
_refine_ls_shell.pdbx_phase_error 
_refine_ls_shell.pdbx_fsc_work 
_refine_ls_shell.pdbx_fsc_free 
_refine_ls_shell.R_factor_R_free 
'X-RAY DIFFRACTION' 1.600 1.641 . . 67 1078 91.3078  . . . . 0.238 . . . . . . . . . . . 0.244 
'X-RAY DIFFRACTION' 1.641 1.686 . . 49 1102 97.2128  . . . . 0.233 . . . . . . . . . . . 0.264 
'X-RAY DIFFRACTION' 1.686 1.735 . . 61 1110 99.3215  . . . . 0.252 . . . . . . . . . . . 0.281 
'X-RAY DIFFRACTION' 1.735 1.788 . . 59 1076 100.0000 . . . . 0.230 . . . . . . . . . . . 0.252 
'X-RAY DIFFRACTION' 1.788 1.847 . . 50 1046 100.0000 . . . . 0.233 . . . . . . . . . . . 0.264 
'X-RAY DIFFRACTION' 1.847 1.911 . . 52 1033 99.1773  . . . . 0.282 . . . . . . . . . . . 0.271 
'X-RAY DIFFRACTION' 1.911 1.983 . . 51 950  97.4684  . . . . 0.354 . . . . . . . . . . . 0.336 
'X-RAY DIFFRACTION' 1.983 2.064 . . 49 941  99.3976  . . . . 0.257 . . . . . . . . . . . 0.283 
'X-RAY DIFFRACTION' 2.064 2.155 . . 61 892  97.6434  . . . . 0.290 . . . . . . . . . . . 0.345 
'X-RAY DIFFRACTION' 2.155 2.260 . . 51 833  97.8959  . . . . 0.255 . . . . . . . . . . . 0.242 
'X-RAY DIFFRACTION' 2.260 2.381 . . 45 837  99.8867  . . . . 0.214 . . . . . . . . . . . 0.287 
'X-RAY DIFFRACTION' 2.381 2.525 . . 58 780  100.0000 . . . . 0.204 . . . . . . . . . . . 0.262 
'X-RAY DIFFRACTION' 2.525 2.697 . . 27 759  99.8729  . . . . 0.233 . . . . . . . . . . . 0.265 
'X-RAY DIFFRACTION' 2.697 2.912 . . 28 712  100.0000 . . . . 0.237 . . . . . . . . . . . 0.366 
'X-RAY DIFFRACTION' 2.912 3.187 . . 32 648  100.0000 . . . . 0.213 . . . . . . . . . . . 0.292 
'X-RAY DIFFRACTION' 3.187 3.558 . . 31 599  99.6835  . . . . 0.187 . . . . . . . . . . . 0.170 
'X-RAY DIFFRACTION' 3.558 4.099 . . 36 512  99.6364  . . . . 0.189 . . . . . . . . . . . 0.225 
'X-RAY DIFFRACTION' 4.099 4.997 . . 15 474  100.0000 . . . . 0.162 . . . . . . . . . . . 0.108 
'X-RAY DIFFRACTION' 4.997 6.972 . . 17 370  100.0000 . . . . 0.203 . . . . . . . . . . . 0.228 
'X-RAY DIFFRACTION' 6.972 30.2  . . 8  237  100.0000 . . . . 0.201 . . . . . . . . . . . 0.175 
# 
_struct.entry_id                     8RR7 
_struct.title                        'Galectin-3 with a 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        8RR7 
_struct_keywords.text            'Inhibitor, 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 3 ? 
E N N 3 ? 
F N N 3 ? 
G N N 4 ? 
H N N 5 ? 
I N N 6 ? 
# 
_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   
;PLIVPYNLPLPGGVVPRMLITILGTVKPNANRIALDFQRGNDVAFHFNPRFNENNRRVIVCNTKLDNNWGREERQSVFPF
ESGKPFKIQVLVEPDHFKVAVNDAHLLQYNHRVKKLNEISKLGISGDIDLTSASYTMI
;
_struct_ref.pdbx_align_begin           113 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              8RR7 
_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                 138 
_struct_ref_seq.pdbx_seq_align_end_ins_code   ? 
_struct_ref_seq.pdbx_db_accession             P17931 
_struct_ref_seq.db_align_beg                  113 
_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       113 
_struct_ref_seq.pdbx_auth_seq_align_end       250 
# 
_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)' 920  ? 
1 MORE         -17  ? 
1 'SSA (A^2)'  7510 ? 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C,D,E,F,G,H,I 
# 
_pdbx_struct_assembly_auth_evidence.id                     1 
_pdbx_struct_assembly_auth_evidence.assembly_id            1 
_pdbx_struct_assembly_auth_evidence.experimental_support   'gel filtration' 
_pdbx_struct_assembly_auth_evidence.details                ? 
# 
_pdbx_struct_oper_list.id                   1 
_pdbx_struct_oper_list.type                 'identity operation' 
_pdbx_struct_oper_list.name                 1_555 
_pdbx_struct_oper_list.symmetry_operation   x,y,z 
_pdbx_struct_oper_list.matrix[1][1]         1.0 
_pdbx_struct_oper_list.matrix[1][2]         0.0 
_pdbx_struct_oper_list.matrix[1][3]         0.0 
_pdbx_struct_oper_list.vector[1]            0.0 
_pdbx_struct_oper_list.matrix[2][1]         0.0 
_pdbx_struct_oper_list.matrix[2][2]         1.0 
_pdbx_struct_oper_list.matrix[2][3]         0.0 
_pdbx_struct_oper_list.vector[2]            0.0 
_pdbx_struct_oper_list.matrix[3][1]         0.0 
_pdbx_struct_oper_list.matrix[3][2]         0.0 
_pdbx_struct_oper_list.matrix[3][3]         1.0 
_pdbx_struct_oper_list.vector[3]            0.0 
# 
_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        115 
_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        119 
_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   ? 
# 
_struct_mon_prot_cis.pdbx_id                1 
_struct_mon_prot_cis.label_comp_id          VAL 
_struct_mon_prot_cis.label_seq_id           4 
_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    5 
_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       -1.56 
# 
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 6   ? PRO A 9   ? TYR A 118 PRO A 121 
AA1 2 LYS A 121 ? GLY A 126 ? LYS A 233 GLY A 238 
AA1 3 ILE A 33  ? ARG A 39  ? ILE A 145 ARG A 151 
AA1 4 ASP A 42  ? GLU A 53  ? ASP A 154 GLU A 165 
AA1 5 ARG A 56  ? LEU A 65  ? ARG A 168 LEU A 177 
AA1 6 ASN A 68  ? TRP A 69  ? ASN A 180 TRP A 181 
AA2 1 TYR A 6   ? PRO A 9   ? TYR A 118 PRO A 121 
AA2 2 LYS A 121 ? GLY A 126 ? LYS A 233 GLY A 238 
AA2 3 ILE A 33  ? ARG A 39  ? ILE A 145 ARG A 151 
AA2 4 ASP A 42  ? GLU A 53  ? ASP A 154 GLU A 165 
AA2 5 ARG A 56  ? LEU A 65  ? ARG A 168 LEU A 177 
AA2 6 GLU A 73  ? GLN A 75  ? GLU A 185 GLN A 187 
AA3 1 ALA A 104 ? ASN A 110 ? ALA A 216 ASN A 222 
AA3 2 HIS A 96  ? VAL A 101 ? HIS A 208 VAL A 213 
AA3 3 PRO A 85  ? VAL A 92  ? PRO A 197 VAL A 204 
AA3 4 MET A 18  ? VAL A 26  ? MET A 130 VAL A 138 
AA3 5 ILE A 128 ? MET A 137 ? 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 8   ? N LEU A 120 O LEU A 122 ? O LEU A 234 
AA1 2 3 O GLY A 123 ? O GLY A 235 N ASP A 36  ? N ASP A 148 
AA1 3 4 N PHE A 37  ? N PHE A 149 O PHE A 45  ? O PHE A 157 
AA1 4 5 N ARG A 50  ? N ARG A 162 O VAL A 58  ? O VAL A 170 
AA1 5 6 N LEU A 65  ? N LEU A 177 O ASN A 68  ? O ASN A 180 
AA2 1 2 N LEU A 8   ? N LEU A 120 O LEU A 122 ? O LEU A 234 
AA2 2 3 O GLY A 123 ? O GLY A 235 N ASP A 36  ? N ASP A 148 
AA2 3 4 N PHE A 37  ? N PHE A 149 O PHE A 45  ? O PHE A 157 
AA2 4 5 N ARG A 50  ? N ARG A 162 O VAL A 58  ? O VAL A 170 
AA2 5 6 N ILE A 59  ? N ILE A 171 O GLN A 75  ? O GLN A 187 
AA3 1 2 O LEU A 106 ? O LEU A 218 N VAL A 99  ? N VAL A 211 
AA3 2 3 O LYS A 98  ? O LYS A 210 N LEU A 91  ? N LEU A 203 
AA3 3 4 O ILE A 88  ? O ILE A 200 N ILE A 22  ? N ILE A 134 
AA3 4 5 N LEU A 19  ? N LEU A 131 O THR A 136 ? O THR A 248 
# 
_pdbx_entry_details.entry_id                   8RR7 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.has_ligand_of_interest     Y 
_pdbx_entry_details.has_protein_modification   N 
# 
loop_
_pdbx_validate_torsion.id 
_pdbx_validate_torsion.PDB_model_num 
_pdbx_validate_torsion.auth_comp_id 
_pdbx_validate_torsion.auth_asym_id 
_pdbx_validate_torsion.auth_seq_id 
_pdbx_validate_torsion.PDB_ins_code 
_pdbx_validate_torsion.label_alt_id 
_pdbx_validate_torsion.phi 
_pdbx_validate_torsion.psi 
1 1 ARG A 129 ? ? 95.88   -4.57 
2 1 ASN A 141 ? A -118.38 60.61 
3 1 ASN A 164 ? ? -148.90 59.72 
# 
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 
A1H2T N1   N  Y N 1   
A1H2T N3   N  Y N 2   
A1H2T C4   C  N N 3   
A1H2T C5   C  Y N 4   
A1H2T C6   C  Y N 5   
A1H2T C7   C  N R 6   
A1H2T C8   C  N N 7   
A1H2T C10  C  N N 8   
A1H2T C13  C  N N 9   
A1H2T C15  C  N S 10  
A1H2T C17  C  Y N 11  
A1H2T C20  C  Y N 12  
A1H2T C21  C  Y N 13  
A1H2T C22  C  Y N 14  
A1H2T C1   C  N N 15  
A1H2T O1   O  N N 16  
A1H2T C2   C  N R 17  
A1H2T C3   C  N R 18  
A1H2T C9   C  N N 19  
A1H2T O2   O  N N 20  
A1H2T C11  C  N R 21  
A1H2T F1   F  N N 22  
A1H2T N2   N  Y N 23  
A1H2T O3   O  N N 24  
A1H2T C12  C  N R 25  
A1H2T O4   O  N N 26  
A1H2T C14  C  N R 27  
A1H2T O5   O  N N 28  
A1H2T N4   N  Y N 29  
A1H2T N5   N  Y N 30  
A1H2T N6   N  Y N 31  
A1H2T C16  C  Y N 32  
A1H2T C18  C  Y N 33  
A1H2T C19  C  Y N 34  
A1H2T CL1  CL N N 35  
A1H2T F2   F  N N 36  
A1H2T F3   F  N N 37  
A1H2T C23  C  Y N 38  
A1H2T H1   H  N N 39  
A1H2T H2   H  N N 40  
A1H2T H3   H  N N 41  
A1H2T H4   H  N N 42  
A1H2T H5   H  N N 43  
A1H2T H6   H  N N 44  
A1H2T H7   H  N N 45  
A1H2T H8   H  N N 46  
A1H2T H9   H  N N 47  
A1H2T H10  H  N N 48  
A1H2T H11  H  N N 49  
A1H2T H12  H  N N 50  
A1H2T H13  H  N N 51  
A1H2T H14  H  N N 52  
A1H2T H15  H  N N 53  
A1H2T H16  H  N N 54  
A1H2T H17  H  N N 55  
A1H2T H18  H  N N 56  
A1H2T H19  H  N N 57  
A1H2T H20  H  N N 58  
A1H2T H21  H  N N 59  
A1H2T H22  H  N N 60  
A1H2T H23  H  N N 61  
A1H2T H24  H  N N 62  
A1H2T H25  H  N N 63  
A1H2T H26  H  N N 64  
ALA   N    N  N N 65  
ALA   CA   C  N S 66  
ALA   C    C  N N 67  
ALA   O    O  N N 68  
ALA   CB   C  N N 69  
ALA   OXT  O  N N 70  
ALA   H    H  N N 71  
ALA   H2   H  N N 72  
ALA   HA   H  N N 73  
ALA   HB1  H  N N 74  
ALA   HB2  H  N N 75  
ALA   HB3  H  N N 76  
ALA   HXT  H  N N 77  
ARG   N    N  N N 78  
ARG   CA   C  N S 79  
ARG   C    C  N N 80  
ARG   O    O  N N 81  
ARG   CB   C  N N 82  
ARG   CG   C  N N 83  
ARG   CD   C  N N 84  
ARG   NE   N  N N 85  
ARG   CZ   C  N N 86  
ARG   NH1  N  N N 87  
ARG   NH2  N  N N 88  
ARG   OXT  O  N N 89  
ARG   H    H  N N 90  
ARG   H2   H  N N 91  
ARG   HA   H  N N 92  
ARG   HB2  H  N N 93  
ARG   HB3  H  N N 94  
ARG   HG2  H  N N 95  
ARG   HG3  H  N N 96  
ARG   HD2  H  N N 97  
ARG   HD3  H  N N 98  
ARG   HE   H  N N 99  
ARG   HH11 H  N N 100 
ARG   HH12 H  N N 101 
ARG   HH21 H  N N 102 
ARG   HH22 H  N N 103 
ARG   HXT  H  N N 104 
ASN   N    N  N N 105 
ASN   CA   C  N S 106 
ASN   C    C  N N 107 
ASN   O    O  N N 108 
ASN   CB   C  N N 109 
ASN   CG   C  N N 110 
ASN   OD1  O  N N 111 
ASN   ND2  N  N N 112 
ASN   OXT  O  N N 113 
ASN   H    H  N N 114 
ASN   H2   H  N N 115 
ASN   HA   H  N N 116 
ASN   HB2  H  N N 117 
ASN   HB3  H  N N 118 
ASN   HD21 H  N N 119 
ASN   HD22 H  N N 120 
ASN   HXT  H  N N 121 
ASP   N    N  N N 122 
ASP   CA   C  N S 123 
ASP   C    C  N N 124 
ASP   O    O  N N 125 
ASP   CB   C  N N 126 
ASP   CG   C  N N 127 
ASP   OD1  O  N N 128 
ASP   OD2  O  N N 129 
ASP   OXT  O  N N 130 
ASP   H    H  N N 131 
ASP   H2   H  N N 132 
ASP   HA   H  N N 133 
ASP   HB2  H  N N 134 
ASP   HB3  H  N N 135 
ASP   HD2  H  N N 136 
ASP   HXT  H  N N 137 
CL    CL   CL N N 138 
CYS   N    N  N N 139 
CYS   CA   C  N R 140 
CYS   C    C  N N 141 
CYS   O    O  N N 142 
CYS   CB   C  N N 143 
CYS   SG   S  N N 144 
CYS   OXT  O  N N 145 
CYS   H    H  N N 146 
CYS   H2   H  N N 147 
CYS   HA   H  N N 148 
CYS   HB2  H  N N 149 
CYS   HB3  H  N N 150 
CYS   HG   H  N N 151 
CYS   HXT  H  N N 152 
GLN   N    N  N N 153 
GLN   CA   C  N S 154 
GLN   C    C  N N 155 
GLN   O    O  N N 156 
GLN   CB   C  N N 157 
GLN   CG   C  N N 158 
GLN   CD   C  N N 159 
GLN   OE1  O  N N 160 
GLN   NE2  N  N N 161 
GLN   OXT  O  N N 162 
GLN   H    H  N N 163 
GLN   H2   H  N N 164 
GLN   HA   H  N N 165 
GLN   HB2  H  N N 166 
GLN   HB3  H  N N 167 
GLN   HG2  H  N N 168 
GLN   HG3  H  N N 169 
GLN   HE21 H  N N 170 
GLN   HE22 H  N N 171 
GLN   HXT  H  N N 172 
GLU   N    N  N N 173 
GLU   CA   C  N S 174 
GLU   C    C  N N 175 
GLU   O    O  N N 176 
GLU   CB   C  N N 177 
GLU   CG   C  N N 178 
GLU   CD   C  N N 179 
GLU   OE1  O  N N 180 
GLU   OE2  O  N N 181 
GLU   OXT  O  N N 182 
GLU   H    H  N N 183 
GLU   H2   H  N N 184 
GLU   HA   H  N N 185 
GLU   HB2  H  N N 186 
GLU   HB3  H  N N 187 
GLU   HG2  H  N N 188 
GLU   HG3  H  N N 189 
GLU   HE2  H  N N 190 
GLU   HXT  H  N N 191 
GLY   N    N  N N 192 
GLY   CA   C  N N 193 
GLY   C    C  N N 194 
GLY   O    O  N N 195 
GLY   OXT  O  N N 196 
GLY   H    H  N N 197 
GLY   H2   H  N N 198 
GLY   HA2  H  N N 199 
GLY   HA3  H  N N 200 
GLY   HXT  H  N N 201 
HIS   N    N  N N 202 
HIS   CA   C  N S 203 
HIS   C    C  N N 204 
HIS   O    O  N N 205 
HIS   CB   C  N N 206 
HIS   CG   C  Y N 207 
HIS   ND1  N  Y N 208 
HIS   CD2  C  Y N 209 
HIS   CE1  C  Y N 210 
HIS   NE2  N  Y N 211 
HIS   OXT  O  N N 212 
HIS   H    H  N N 213 
HIS   H2   H  N N 214 
HIS   HA   H  N N 215 
HIS   HB2  H  N N 216 
HIS   HB3  H  N N 217 
HIS   HD1  H  N N 218 
HIS   HD2  H  N N 219 
HIS   HE1  H  N N 220 
HIS   HE2  H  N N 221 
HIS   HXT  H  N N 222 
HOH   O    O  N N 223 
HOH   H1   H  N N 224 
HOH   H2   H  N N 225 
ILE   N    N  N N 226 
ILE   CA   C  N S 227 
ILE   C    C  N N 228 
ILE   O    O  N N 229 
ILE   CB   C  N S 230 
ILE   CG1  C  N N 231 
ILE   CG2  C  N N 232 
ILE   CD1  C  N N 233 
ILE   OXT  O  N N 234 
ILE   H    H  N N 235 
ILE   H2   H  N N 236 
ILE   HA   H  N N 237 
ILE   HB   H  N N 238 
ILE   HG12 H  N N 239 
ILE   HG13 H  N N 240 
ILE   HG21 H  N N 241 
ILE   HG22 H  N N 242 
ILE   HG23 H  N N 243 
ILE   HD11 H  N N 244 
ILE   HD12 H  N N 245 
ILE   HD13 H  N N 246 
ILE   HXT  H  N N 247 
LEU   N    N  N N 248 
LEU   CA   C  N S 249 
LEU   C    C  N N 250 
LEU   O    O  N N 251 
LEU   CB   C  N N 252 
LEU   CG   C  N N 253 
LEU   CD1  C  N N 254 
LEU   CD2  C  N N 255 
LEU   OXT  O  N N 256 
LEU   H    H  N N 257 
LEU   H2   H  N N 258 
LEU   HA   H  N N 259 
LEU   HB2  H  N N 260 
LEU   HB3  H  N N 261 
LEU   HG   H  N N 262 
LEU   HD11 H  N N 263 
LEU   HD12 H  N N 264 
LEU   HD13 H  N N 265 
LEU   HD21 H  N N 266 
LEU   HD22 H  N N 267 
LEU   HD23 H  N N 268 
LEU   HXT  H  N N 269 
LYS   N    N  N N 270 
LYS   CA   C  N S 271 
LYS   C    C  N N 272 
LYS   O    O  N N 273 
LYS   CB   C  N N 274 
LYS   CG   C  N N 275 
LYS   CD   C  N N 276 
LYS   CE   C  N N 277 
LYS   NZ   N  N N 278 
LYS   OXT  O  N N 279 
LYS   H    H  N N 280 
LYS   H2   H  N N 281 
LYS   HA   H  N N 282 
LYS   HB2  H  N N 283 
LYS   HB3  H  N N 284 
LYS   HG2  H  N N 285 
LYS   HG3  H  N N 286 
LYS   HD2  H  N N 287 
LYS   HD3  H  N N 288 
LYS   HE2  H  N N 289 
LYS   HE3  H  N N 290 
LYS   HZ1  H  N N 291 
LYS   HZ2  H  N N 292 
LYS   HZ3  H  N N 293 
LYS   HXT  H  N N 294 
MET   N    N  N N 295 
MET   CA   C  N S 296 
MET   C    C  N N 297 
MET   O    O  N N 298 
MET   CB   C  N N 299 
MET   CG   C  N N 300 
MET   SD   S  N N 301 
MET   CE   C  N N 302 
MET   OXT  O  N N 303 
MET   H    H  N N 304 
MET   H2   H  N N 305 
MET   HA   H  N N 306 
MET   HB2  H  N N 307 
MET   HB3  H  N N 308 
MET   HG2  H  N N 309 
MET   HG3  H  N N 310 
MET   HE1  H  N N 311 
MET   HE2  H  N N 312 
MET   HE3  H  N N 313 
MET   HXT  H  N N 314 
MLI   C1   C  N N 315 
MLI   C2   C  N N 316 
MLI   C3   C  N N 317 
MLI   O6   O  N N 318 
MLI   O7   O  N N 319 
MLI   O8   O  N N 320 
MLI   O9   O  N N 321 
MLI   H11  H  N N 322 
MLI   H12  H  N N 323 
PHE   N    N  N N 324 
PHE   CA   C  N S 325 
PHE   C    C  N N 326 
PHE   O    O  N N 327 
PHE   CB   C  N N 328 
PHE   CG   C  Y N 329 
PHE   CD1  C  Y N 330 
PHE   CD2  C  Y N 331 
PHE   CE1  C  Y N 332 
PHE   CE2  C  Y N 333 
PHE   CZ   C  Y N 334 
PHE   OXT  O  N N 335 
PHE   H    H  N N 336 
PHE   H2   H  N N 337 
PHE   HA   H  N N 338 
PHE   HB2  H  N N 339 
PHE   HB3  H  N N 340 
PHE   HD1  H  N N 341 
PHE   HD2  H  N N 342 
PHE   HE1  H  N N 343 
PHE   HE2  H  N N 344 
PHE   HZ   H  N N 345 
PHE   HXT  H  N N 346 
PRO   N    N  N N 347 
PRO   CA   C  N S 348 
PRO   C    C  N N 349 
PRO   O    O  N N 350 
PRO   CB   C  N N 351 
PRO   CG   C  N N 352 
PRO   CD   C  N N 353 
PRO   OXT  O  N N 354 
PRO   H    H  N N 355 
PRO   HA   H  N N 356 
PRO   HB2  H  N N 357 
PRO   HB3  H  N N 358 
PRO   HG2  H  N N 359 
PRO   HG3  H  N N 360 
PRO   HD2  H  N N 361 
PRO   HD3  H  N N 362 
PRO   HXT  H  N N 363 
SCN   S    S  N N 364 
SCN   C    C  N N 365 
SCN   N    N  N N 366 
SER   N    N  N N 367 
SER   CA   C  N S 368 
SER   C    C  N N 369 
SER   O    O  N N 370 
SER   CB   C  N N 371 
SER   OG   O  N N 372 
SER   OXT  O  N N 373 
SER   H    H  N N 374 
SER   H2   H  N N 375 
SER   HA   H  N N 376 
SER   HB2  H  N N 377 
SER   HB3  H  N N 378 
SER   HG   H  N N 379 
SER   HXT  H  N N 380 
THR   N    N  N N 381 
THR   CA   C  N S 382 
THR   C    C  N N 383 
THR   O    O  N N 384 
THR   CB   C  N R 385 
THR   OG1  O  N N 386 
THR   CG2  C  N N 387 
THR   OXT  O  N N 388 
THR   H    H  N N 389 
THR   H2   H  N N 390 
THR   HA   H  N N 391 
THR   HB   H  N N 392 
THR   HG1  H  N N 393 
THR   HG21 H  N N 394 
THR   HG22 H  N N 395 
THR   HG23 H  N N 396 
THR   HXT  H  N N 397 
TRP   N    N  N N 398 
TRP   CA   C  N S 399 
TRP   C    C  N N 400 
TRP   O    O  N N 401 
TRP   CB   C  N N 402 
TRP   CG   C  Y N 403 
TRP   CD1  C  Y N 404 
TRP   CD2  C  Y N 405 
TRP   NE1  N  Y N 406 
TRP   CE2  C  Y N 407 
TRP   CE3  C  Y N 408 
TRP   CZ2  C  Y N 409 
TRP   CZ3  C  Y N 410 
TRP   CH2  C  Y N 411 
TRP   OXT  O  N N 412 
TRP   H    H  N N 413 
TRP   H2   H  N N 414 
TRP   HA   H  N N 415 
TRP   HB2  H  N N 416 
TRP   HB3  H  N N 417 
TRP   HD1  H  N N 418 
TRP   HE1  H  N N 419 
TRP   HE3  H  N N 420 
TRP   HZ2  H  N N 421 
TRP   HZ3  H  N N 422 
TRP   HH2  H  N N 423 
TRP   HXT  H  N N 424 
TYR   N    N  N N 425 
TYR   CA   C  N S 426 
TYR   C    C  N N 427 
TYR   O    O  N N 428 
TYR   CB   C  N N 429 
TYR   CG   C  Y N 430 
TYR   CD1  C  Y N 431 
TYR   CD2  C  Y N 432 
TYR   CE1  C  Y N 433 
TYR   CE2  C  Y N 434 
TYR   CZ   C  Y N 435 
TYR   OH   O  N N 436 
TYR   OXT  O  N N 437 
TYR   H    H  N N 438 
TYR   H2   H  N N 439 
TYR   HA   H  N N 440 
TYR   HB2  H  N N 441 
TYR   HB3  H  N N 442 
TYR   HD1  H  N N 443 
TYR   HD2  H  N N 444 
TYR   HE1  H  N N 445 
TYR   HE2  H  N N 446 
TYR   HH   H  N N 447 
TYR   HXT  H  N N 448 
VAL   N    N  N N 449 
VAL   CA   C  N S 450 
VAL   C    C  N N 451 
VAL   O    O  N N 452 
VAL   CB   C  N N 453 
VAL   CG1  C  N N 454 
VAL   CG2  C  N N 455 
VAL   OXT  O  N N 456 
VAL   H    H  N N 457 
VAL   H2   H  N N 458 
VAL   HA   H  N N 459 
VAL   HB   H  N N 460 
VAL   HG11 H  N N 461 
VAL   HG12 H  N N 462 
VAL   HG13 H  N N 463 
VAL   HG21 H  N N 464 
VAL   HG22 H  N N 465 
VAL   HG23 H  N N 466 
VAL   HXT  H  N N 467 
# 
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 
A1H2T N3  N2   doub Y N 1   
A1H2T N3  C5   sing Y N 2   
A1H2T N2  N1   sing Y N 3   
A1H2T C5  C4   sing N N 4   
A1H2T C5  C6   doub Y N 5   
A1H2T N1  C7   sing N N 6   
A1H2T N1  C6   sing Y N 7   
A1H2T C4  C3   sing N N 8   
A1H2T C7  C11  sing N N 9   
A1H2T C7  C8   sing N N 10  
A1H2T C11 C10  sing N N 11  
A1H2T C11 F1   sing N N 12  
A1H2T C10 O2   sing N N 13  
A1H2T N5  N6   doub Y N 14  
A1H2T N5  N4   sing Y N 15  
A1H2T O1  C1   sing N N 16  
A1H2T O1  C2   sing N N 17  
A1H2T N6  C16  sing Y N 18  
A1H2T C8  C9   sing N N 19  
A1H2T C3  C2   sing N N 20  
A1H2T C3  O3   sing N N 21  
A1H2T C15 C2   sing N N 22  
A1H2T C15 N4   sing N N 23  
A1H2T C15 C14  sing N N 24  
A1H2T N4  C23  sing Y N 25  
A1H2T C9  O2   sing N N 26  
A1H2T C18 C19  doub Y N 27  
A1H2T C18 C17  sing Y N 28  
A1H2T C16 C23  doub Y N 29  
A1H2T C16 C17  sing N N 30  
A1H2T C12 O3   sing N N 31  
A1H2T C12 C14  sing N N 32  
A1H2T C12 C13  sing N N 33  
A1H2T C14 O5   sing N N 34  
A1H2T C19 C20  sing Y N 35  
A1H2T O4  C13  sing N N 36  
A1H2T C17 C22  doub Y N 37  
A1H2T C20 CL1  sing N N 38  
A1H2T C20 C21  doub Y N 39  
A1H2T C22 C21  sing Y N 40  
A1H2T C22 F3   sing N N 41  
A1H2T C21 F2   sing N N 42  
A1H2T C4  H1   sing N N 43  
A1H2T C4  H2   sing N N 44  
A1H2T C6  H3   sing N N 45  
A1H2T C7  H4   sing N N 46  
A1H2T C8  H5   sing N N 47  
A1H2T C8  H6   sing N N 48  
A1H2T C10 H7   sing N N 49  
A1H2T C10 H8   sing N N 50  
A1H2T C13 H9   sing N N 51  
A1H2T C13 H10  sing N N 52  
A1H2T C15 H11  sing N N 53  
A1H2T C1  H12  sing N N 54  
A1H2T C1  H13  sing N N 55  
A1H2T C1  H14  sing N N 56  
A1H2T C2  H15  sing N N 57  
A1H2T C3  H16  sing N N 58  
A1H2T C9  H17  sing N N 59  
A1H2T C9  H18  sing N N 60  
A1H2T C11 H19  sing N N 61  
A1H2T C12 H20  sing N N 62  
A1H2T O4  H21  sing N N 63  
A1H2T C14 H22  sing N N 64  
A1H2T O5  H23  sing N N 65  
A1H2T C18 H24  sing N N 66  
A1H2T C19 H25  sing N N 67  
A1H2T C23 H26  sing N N 68  
ALA   N   CA   sing N N 69  
ALA   N   H    sing N N 70  
ALA   N   H2   sing N N 71  
ALA   CA  C    sing N N 72  
ALA   CA  CB   sing N N 73  
ALA   CA  HA   sing N N 74  
ALA   C   O    doub N N 75  
ALA   C   OXT  sing N N 76  
ALA   CB  HB1  sing N N 77  
ALA   CB  HB2  sing N N 78  
ALA   CB  HB3  sing N N 79  
ALA   OXT HXT  sing N N 80  
ARG   N   CA   sing N N 81  
ARG   N   H    sing N N 82  
ARG   N   H2   sing N N 83  
ARG   CA  C    sing N N 84  
ARG   CA  CB   sing N N 85  
ARG   CA  HA   sing N N 86  
ARG   C   O    doub N N 87  
ARG   C   OXT  sing N N 88  
ARG   CB  CG   sing N N 89  
ARG   CB  HB2  sing N N 90  
ARG   CB  HB3  sing N N 91  
ARG   CG  CD   sing N N 92  
ARG   CG  HG2  sing N N 93  
ARG   CG  HG3  sing N N 94  
ARG   CD  NE   sing N N 95  
ARG   CD  HD2  sing N N 96  
ARG   CD  HD3  sing N N 97  
ARG   NE  CZ   sing N N 98  
ARG   NE  HE   sing N N 99  
ARG   CZ  NH1  sing N N 100 
ARG   CZ  NH2  doub N N 101 
ARG   NH1 HH11 sing N N 102 
ARG   NH1 HH12 sing N N 103 
ARG   NH2 HH21 sing N N 104 
ARG   NH2 HH22 sing N N 105 
ARG   OXT HXT  sing N N 106 
ASN   N   CA   sing N N 107 
ASN   N   H    sing N N 108 
ASN   N   H2   sing N N 109 
ASN   CA  C    sing N N 110 
ASN   CA  CB   sing N N 111 
ASN   CA  HA   sing N N 112 
ASN   C   O    doub N N 113 
ASN   C   OXT  sing N N 114 
ASN   CB  CG   sing N N 115 
ASN   CB  HB2  sing N N 116 
ASN   CB  HB3  sing N N 117 
ASN   CG  OD1  doub N N 118 
ASN   CG  ND2  sing N N 119 
ASN   ND2 HD21 sing N N 120 
ASN   ND2 HD22 sing N N 121 
ASN   OXT HXT  sing N N 122 
ASP   N   CA   sing N N 123 
ASP   N   H    sing N N 124 
ASP   N   H2   sing N N 125 
ASP   CA  C    sing N N 126 
ASP   CA  CB   sing N N 127 
ASP   CA  HA   sing N N 128 
ASP   C   O    doub N N 129 
ASP   C   OXT  sing N N 130 
ASP   CB  CG   sing N N 131 
ASP   CB  HB2  sing N N 132 
ASP   CB  HB3  sing N N 133 
ASP   CG  OD1  doub N N 134 
ASP   CG  OD2  sing N N 135 
ASP   OD2 HD2  sing N N 136 
ASP   OXT HXT  sing N N 137 
CYS   N   CA   sing N N 138 
CYS   N   H    sing N N 139 
CYS   N   H2   sing N N 140 
CYS   CA  C    sing N N 141 
CYS   CA  CB   sing N N 142 
CYS   CA  HA   sing N N 143 
CYS   C   O    doub N N 144 
CYS   C   OXT  sing N N 145 
CYS   CB  SG   sing N N 146 
CYS   CB  HB2  sing N N 147 
CYS   CB  HB3  sing N N 148 
CYS   SG  HG   sing N N 149 
CYS   OXT HXT  sing N N 150 
GLN   N   CA   sing N N 151 
GLN   N   H    sing N N 152 
GLN   N   H2   sing N N 153 
GLN   CA  C    sing N N 154 
GLN   CA  CB   sing N N 155 
GLN   CA  HA   sing N N 156 
GLN   C   O    doub N N 157 
GLN   C   OXT  sing N N 158 
GLN   CB  CG   sing N N 159 
GLN   CB  HB2  sing N N 160 
GLN   CB  HB3  sing N N 161 
GLN   CG  CD   sing N N 162 
GLN   CG  HG2  sing N N 163 
GLN   CG  HG3  sing N N 164 
GLN   CD  OE1  doub N N 165 
GLN   CD  NE2  sing N N 166 
GLN   NE2 HE21 sing N N 167 
GLN   NE2 HE22 sing N N 168 
GLN   OXT HXT  sing N N 169 
GLU   N   CA   sing N N 170 
GLU   N   H    sing N N 171 
GLU   N   H2   sing N N 172 
GLU   CA  C    sing N N 173 
GLU   CA  CB   sing N N 174 
GLU   CA  HA   sing N N 175 
GLU   C   O    doub N N 176 
GLU   C   OXT  sing N N 177 
GLU   CB  CG   sing N N 178 
GLU   CB  HB2  sing N N 179 
GLU   CB  HB3  sing N N 180 
GLU   CG  CD   sing N N 181 
GLU   CG  HG2  sing N N 182 
GLU   CG  HG3  sing N N 183 
GLU   CD  OE1  doub N N 184 
GLU   CD  OE2  sing N N 185 
GLU   OE2 HE2  sing N N 186 
GLU   OXT HXT  sing N N 187 
GLY   N   CA   sing N N 188 
GLY   N   H    sing N N 189 
GLY   N   H2   sing N N 190 
GLY   CA  C    sing N N 191 
GLY   CA  HA2  sing N N 192 
GLY   CA  HA3  sing N N 193 
GLY   C   O    doub N N 194 
GLY   C   OXT  sing N N 195 
GLY   OXT HXT  sing N N 196 
HIS   N   CA   sing N N 197 
HIS   N   H    sing N N 198 
HIS   N   H2   sing N N 199 
HIS   CA  C    sing N N 200 
HIS   CA  CB   sing N N 201 
HIS   CA  HA   sing N N 202 
HIS   C   O    doub N N 203 
HIS   C   OXT  sing N N 204 
HIS   CB  CG   sing N N 205 
HIS   CB  HB2  sing N N 206 
HIS   CB  HB3  sing N N 207 
HIS   CG  ND1  sing Y N 208 
HIS   CG  CD2  doub Y N 209 
HIS   ND1 CE1  doub Y N 210 
HIS   ND1 HD1  sing N N 211 
HIS   CD2 NE2  sing Y N 212 
HIS   CD2 HD2  sing N N 213 
HIS   CE1 NE2  sing Y N 214 
HIS   CE1 HE1  sing N N 215 
HIS   NE2 HE2  sing N N 216 
HIS   OXT HXT  sing N N 217 
HOH   O   H1   sing N N 218 
HOH   O   H2   sing N N 219 
ILE   N   CA   sing N N 220 
ILE   N   H    sing N N 221 
ILE   N   H2   sing N N 222 
ILE   CA  C    sing N N 223 
ILE   CA  CB   sing N N 224 
ILE   CA  HA   sing N N 225 
ILE   C   O    doub N N 226 
ILE   C   OXT  sing N N 227 
ILE   CB  CG1  sing N N 228 
ILE   CB  CG2  sing N N 229 
ILE   CB  HB   sing N N 230 
ILE   CG1 CD1  sing N N 231 
ILE   CG1 HG12 sing N N 232 
ILE   CG1 HG13 sing N N 233 
ILE   CG2 HG21 sing N N 234 
ILE   CG2 HG22 sing N N 235 
ILE   CG2 HG23 sing N N 236 
ILE   CD1 HD11 sing N N 237 
ILE   CD1 HD12 sing N N 238 
ILE   CD1 HD13 sing N N 239 
ILE   OXT HXT  sing N N 240 
LEU   N   CA   sing N N 241 
LEU   N   H    sing N N 242 
LEU   N   H2   sing N N 243 
LEU   CA  C    sing N N 244 
LEU   CA  CB   sing N N 245 
LEU   CA  HA   sing N N 246 
LEU   C   O    doub N N 247 
LEU   C   OXT  sing N N 248 
LEU   CB  CG   sing N N 249 
LEU   CB  HB2  sing N N 250 
LEU   CB  HB3  sing N N 251 
LEU   CG  CD1  sing N N 252 
LEU   CG  CD2  sing N N 253 
LEU   CG  HG   sing N N 254 
LEU   CD1 HD11 sing N N 255 
LEU   CD1 HD12 sing N N 256 
LEU   CD1 HD13 sing N N 257 
LEU   CD2 HD21 sing N N 258 
LEU   CD2 HD22 sing N N 259 
LEU   CD2 HD23 sing N N 260 
LEU   OXT HXT  sing N N 261 
LYS   N   CA   sing N N 262 
LYS   N   H    sing N N 263 
LYS   N   H2   sing N N 264 
LYS   CA  C    sing N N 265 
LYS   CA  CB   sing N N 266 
LYS   CA  HA   sing N N 267 
LYS   C   O    doub N N 268 
LYS   C   OXT  sing N N 269 
LYS   CB  CG   sing N N 270 
LYS   CB  HB2  sing N N 271 
LYS   CB  HB3  sing N N 272 
LYS   CG  CD   sing N N 273 
LYS   CG  HG2  sing N N 274 
LYS   CG  HG3  sing N N 275 
LYS   CD  CE   sing N N 276 
LYS   CD  HD2  sing N N 277 
LYS   CD  HD3  sing N N 278 
LYS   CE  NZ   sing N N 279 
LYS   CE  HE2  sing N N 280 
LYS   CE  HE3  sing N N 281 
LYS   NZ  HZ1  sing N N 282 
LYS   NZ  HZ2  sing N N 283 
LYS   NZ  HZ3  sing N N 284 
LYS   OXT HXT  sing N N 285 
MET   N   CA   sing N N 286 
MET   N   H    sing N N 287 
MET   N   H2   sing N N 288 
MET   CA  C    sing N N 289 
MET   CA  CB   sing N N 290 
MET   CA  HA   sing N N 291 
MET   C   O    doub N N 292 
MET   C   OXT  sing N N 293 
MET   CB  CG   sing N N 294 
MET   CB  HB2  sing N N 295 
MET   CB  HB3  sing N N 296 
MET   CG  SD   sing N N 297 
MET   CG  HG2  sing N N 298 
MET   CG  HG3  sing N N 299 
MET   SD  CE   sing N N 300 
MET   CE  HE1  sing N N 301 
MET   CE  HE2  sing N N 302 
MET   CE  HE3  sing N N 303 
MET   OXT HXT  sing N N 304 
MLI   C1  C2   sing N N 305 
MLI   C1  C3   sing N N 306 
MLI   C1  H11  sing N N 307 
MLI   C1  H12  sing N N 308 
MLI   C2  O6   doub N N 309 
MLI   C2  O7   sing N N 310 
MLI   C3  O8   doub N N 311 
MLI   C3  O9   sing N N 312 
PHE   N   CA   sing N N 313 
PHE   N   H    sing N N 314 
PHE   N   H2   sing N N 315 
PHE   CA  C    sing N N 316 
PHE   CA  CB   sing N N 317 
PHE   CA  HA   sing N N 318 
PHE   C   O    doub N N 319 
PHE   C   OXT  sing N N 320 
PHE   CB  CG   sing N N 321 
PHE   CB  HB2  sing N N 322 
PHE   CB  HB3  sing N N 323 
PHE   CG  CD1  doub Y N 324 
PHE   CG  CD2  sing Y N 325 
PHE   CD1 CE1  sing Y N 326 
PHE   CD1 HD1  sing N N 327 
PHE   CD2 CE2  doub Y N 328 
PHE   CD2 HD2  sing N N 329 
PHE   CE1 CZ   doub Y N 330 
PHE   CE1 HE1  sing N N 331 
PHE   CE2 CZ   sing Y N 332 
PHE   CE2 HE2  sing N N 333 
PHE   CZ  HZ   sing N N 334 
PHE   OXT HXT  sing N N 335 
PRO   N   CA   sing N N 336 
PRO   N   CD   sing N N 337 
PRO   N   H    sing N N 338 
PRO   CA  C    sing N N 339 
PRO   CA  CB   sing N N 340 
PRO   CA  HA   sing N N 341 
PRO   C   O    doub N N 342 
PRO   C   OXT  sing N N 343 
PRO   CB  CG   sing N N 344 
PRO   CB  HB2  sing N N 345 
PRO   CB  HB3  sing N N 346 
PRO   CG  CD   sing N N 347 
PRO   CG  HG2  sing N N 348 
PRO   CG  HG3  sing N N 349 
PRO   CD  HD2  sing N N 350 
PRO   CD  HD3  sing N N 351 
PRO   OXT HXT  sing N N 352 
SCN   S   C    sing N N 353 
SCN   C   N    trip N N 354 
SER   N   CA   sing N N 355 
SER   N   H    sing N N 356 
SER   N   H2   sing N N 357 
SER   CA  C    sing N N 358 
SER   CA  CB   sing N N 359 
SER   CA  HA   sing N N 360 
SER   C   O    doub N N 361 
SER   C   OXT  sing N N 362 
SER   CB  OG   sing N N 363 
SER   CB  HB2  sing N N 364 
SER   CB  HB3  sing N N 365 
SER   OG  HG   sing N N 366 
SER   OXT HXT  sing N N 367 
THR   N   CA   sing N N 368 
THR   N   H    sing N N 369 
THR   N   H2   sing N N 370 
THR   CA  C    sing N N 371 
THR   CA  CB   sing N N 372 
THR   CA  HA   sing N N 373 
THR   C   O    doub N N 374 
THR   C   OXT  sing N N 375 
THR   CB  OG1  sing N N 376 
THR   CB  CG2  sing N N 377 
THR   CB  HB   sing N N 378 
THR   OG1 HG1  sing N N 379 
THR   CG2 HG21 sing N N 380 
THR   CG2 HG22 sing N N 381 
THR   CG2 HG23 sing N N 382 
THR   OXT HXT  sing N N 383 
TRP   N   CA   sing N N 384 
TRP   N   H    sing N N 385 
TRP   N   H2   sing N N 386 
TRP   CA  C    sing N N 387 
TRP   CA  CB   sing N N 388 
TRP   CA  HA   sing N N 389 
TRP   C   O    doub N N 390 
TRP   C   OXT  sing N N 391 
TRP   CB  CG   sing N N 392 
TRP   CB  HB2  sing N N 393 
TRP   CB  HB3  sing N N 394 
TRP   CG  CD1  doub Y N 395 
TRP   CG  CD2  sing Y N 396 
TRP   CD1 NE1  sing Y N 397 
TRP   CD1 HD1  sing N N 398 
TRP   CD2 CE2  doub Y N 399 
TRP   CD2 CE3  sing Y N 400 
TRP   NE1 CE2  sing Y N 401 
TRP   NE1 HE1  sing N N 402 
TRP   CE2 CZ2  sing Y N 403 
TRP   CE3 CZ3  doub Y N 404 
TRP   CE3 HE3  sing N N 405 
TRP   CZ2 CH2  doub Y N 406 
TRP   CZ2 HZ2  sing N N 407 
TRP   CZ3 CH2  sing Y N 408 
TRP   CZ3 HZ3  sing N N 409 
TRP   CH2 HH2  sing N N 410 
TRP   OXT HXT  sing N N 411 
TYR   N   CA   sing N N 412 
TYR   N   H    sing N N 413 
TYR   N   H2   sing N N 414 
TYR   CA  C    sing N N 415 
TYR   CA  CB   sing N N 416 
TYR   CA  HA   sing N N 417 
TYR   C   O    doub N N 418 
TYR   C   OXT  sing N N 419 
TYR   CB  CG   sing N N 420 
TYR   CB  HB2  sing N N 421 
TYR   CB  HB3  sing N N 422 
TYR   CG  CD1  doub Y N 423 
TYR   CG  CD2  sing Y N 424 
TYR   CD1 CE1  sing Y N 425 
TYR   CD1 HD1  sing N N 426 
TYR   CD2 CE2  doub Y N 427 
TYR   CD2 HD2  sing N N 428 
TYR   CE1 CZ   doub Y N 429 
TYR   CE1 HE1  sing N N 430 
TYR   CE2 CZ   sing Y N 431 
TYR   CE2 HE2  sing N N 432 
TYR   CZ  OH   sing N N 433 
TYR   OH  HH   sing N N 434 
TYR   OXT HXT  sing N N 435 
VAL   N   CA   sing N N 436 
VAL   N   H    sing N N 437 
VAL   N   H2   sing N N 438 
VAL   CA  C    sing N N 439 
VAL   CA  CB   sing N N 440 
VAL   CA  HA   sing N N 441 
VAL   C   O    doub N N 442 
VAL   C   OXT  sing N N 443 
VAL   CB  CG1  sing N N 444 
VAL   CB  CG2  sing N N 445 
VAL   CB  HB   sing N N 446 
VAL   CG1 HG11 sing N N 447 
VAL   CG1 HG12 sing N N 448 
VAL   CG1 HG13 sing N N 449 
VAL   CG2 HG21 sing N N 450 
VAL   CG2 HG22 sing N N 451 
VAL   CG2 HG23 sing N N 452 
VAL   OXT HXT  sing N N 453 
# 
_pdbx_audit_support.funding_organization   'Not funded' 
_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      Other 
_pdbx_initial_refinement_model.accession_code   ? 
_pdbx_initial_refinement_model.details          'Internal structure' 
# 
_atom_sites.entry_id                    8RR7 
_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]   0.029014 
_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]   0.017330 
_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]   0.015982 
_atom_sites.fract_transf_vector[1]      0.00000 
_atom_sites.fract_transf_vector[2]      0.00000 
_atom_sites.fract_transf_vector[3]      0.00000 
_atom_sites.solution_primary            ? 
_atom_sites.solution_secondary          ? 
_atom_sites.solution_hydrogens          ? 
_atom_sites.special_details             ? 
# 
loop_
_atom_type.symbol 
_atom_type.pdbx_scat_Z 
_atom_type.pdbx_N_electrons 
_atom_type.scat_Cromer_Mann_a1 
_atom_type.scat_Cromer_Mann_b1 
_atom_type.scat_Cromer_Mann_a2 
_atom_type.scat_Cromer_Mann_b2 
_atom_type.scat_Cromer_Mann_a3 
_atom_type.scat_Cromer_Mann_b3 
_atom_type.scat_Cromer_Mann_a4 
_atom_type.scat_Cromer_Mann_b4 
_atom_type.scat_Cromer_Mann_c 
C  6  6  2.3103  20.8439 1.0201 10.2075 1.5888 0.5687  0.8651 51.6512 0.2156   
CL 17 17 11.4601 0.0104  7.1962 1.1662  6.2554 18.5194 1.6455 47.7784 -9.3378  
F  9  9  3.5395  10.2825 2.6414 4.2944  1.5171 0.2615  1.0244 26.1476 0.3057   
N  7  7  12.2220 0.0057  3.1346 9.8933  2.0141 28.9975 1.1672 0.5826  -11.5379 
O  8  8  3.0487  13.2771 2.2870 5.7011  1.5464 0.3239  0.8671 32.9089 0.2508   
S  16 16 6.9054  1.4679  5.2035 22.2151 1.4379 0.2536  1.5863 56.1720 1.0555   
# 
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_site.calc_flag 
ATOM   1    N  N   . PRO   A 1 1   ? 6.540   2.086   10.654  1.000 18.802 0 113 PRO   A N   1 ? 
ATOM   2    C  CA  . PRO   A 1 1   ? 5.599   3.066   10.132  1.000 18.614 0 113 PRO   A CA  1 ? 
ATOM   3    C  C   . PRO   A 1 1   ? 5.716   3.281   8.625   1.000 18.508 0 113 PRO   A C   1 ? 
ATOM   4    O  O   . PRO   A 1 1   ? 6.802   3.167   8.054   1.000 18.221 0 113 PRO   A O   1 ? 
ATOM   5    C  CB  . PRO   A 1 1   ? 5.960   4.319   10.940  1.000 18.310 0 113 PRO   A CB  1 ? 
ATOM   6    C  CG  . PRO   A 1 1   ? 6.342   3.766   12.297  1.000 18.735 0 113 PRO   A CG  1 ? 
ATOM   7    C  CD  . PRO   A 1 1   ? 6.663   2.291   12.093  1.000 18.546 0 113 PRO   A CD  1 ? 
ATOM   8    N  N   . LEU   A 1 2   ? 4.573   3.592   8.004   1.000 18.446 0 114 LEU   A N   1 ? 
ATOM   9    C  CA  . LEU   A 1 2   ? 4.441   3.724   6.562   1.000 18.593 0 114 LEU   A CA  1 ? 
ATOM   10   C  C   . LEU   A 1 2   ? 3.708   5.026   6.250   1.000 18.839 0 114 LEU   A C   1 ? 
ATOM   11   O  O   . LEU   A 1 2   ? 2.936   5.516   7.073   1.000 19.706 0 114 LEU   A O   1 ? 
ATOM   12   C  CB  . LEU   A 1 2   ? 3.662   2.522   6.028   1.000 18.404 0 114 LEU   A CB  1 ? 
ATOM   13   C  CG  . LEU   A 1 2   ? 4.243   1.130   6.303   1.000 18.740 0 114 LEU   A CG  1 ? 
ATOM   14   C  CD1 . LEU   A 1 2   ? 3.177   0.083   6.036   1.000 19.472 0 114 LEU   A CD1 1 ? 
ATOM   15   C  CD2 . LEU   A 1 2   ? 5.476   0.852   5.458   1.000 18.825 0 114 LEU   A CD2 1 ? 
ATOM   16   N  N   . ILE   A 1 3   ? 3.942   5.561   5.046   1.000 18.761 0 115 ILE   A N   1 ? 
ATOM   17   C  CA  . ILE   A 1 3   ? 3.280   6.776   4.598   1.000 18.890 0 115 ILE   A CA  1 ? 
ATOM   18   C  C   . ILE   A 1 3   ? 2.023   6.401   3.814   1.000 18.011 0 115 ILE   A C   1 ? 
ATOM   19   O  O   . ILE   A 1 3   ? 2.097   5.670   2.826   1.000 18.554 0 115 ILE   A O   1 ? 
ATOM   20   C  CB  . ILE   A 1 3   ? 4.237   7.662   3.773   1.000 19.860 0 115 ILE   A CB  1 ? 
ATOM   21   C  CG1 . ILE   A 1 3   ? 5.539   7.985   4.526   1.000 20.505 0 115 ILE   A CG1 1 ? 
ATOM   22   C  CG2 . ILE   A 1 3   ? 3.533   8.931   3.289   1.000 20.426 0 115 ILE   A CG2 1 ? 
ATOM   23   C  CD1 . ILE   A 1 3   ? 5.348   8.716   5.847   1.000 21.746 0 115 ILE   A CD1 1 ? 
ATOM   24   N  N   . VAL   A 1 4   ? 0.873   6.926   4.256   1.000 17.024 0 116 VAL   A N   1 ? 
ATOM   25   C  CA  . VAL   A 1 4   ? -0.393  6.698   3.572   1.000 16.525 0 116 VAL   A CA  1 ? 
ATOM   26   C  C   . VAL   A 1 4   ? -0.427  7.558   2.308   1.000 15.927 0 116 VAL   A C   1 ? 
ATOM   27   O  O   . VAL   A 1 4   ? 0.209   8.611   2.261   1.000 15.801 0 116 VAL   A O   1 ? 
ATOM   28   C  CB  . VAL   A 1 4   ? -1.659  6.902   4.435   1.000 16.951 0 116 VAL   A CB  1 ? 
ATOM   29   C  CG1 . VAL   A 1 4   ? -1.769  5.863   5.545   1.000 16.712 0 116 VAL   A CG1 1 ? 
ATOM   30   C  CG2 . VAL   A 1 4   ? -1.768  8.312   5.001   1.000 17.242 0 116 VAL   A CG2 1 ? 
ATOM   31   N  N   . PRO   A 1 5   ? -1.154  7.147   1.240   1.000 15.766 0 117 PRO   A N   1 ? 
ATOM   32   C  CA  . PRO   A 1 5   ? -1.896  5.882   1.223   1.000 15.587 0 117 PRO   A CA  1 ? 
ATOM   33   C  C   . PRO   A 1 5   ? -1.018  4.646   1.053   1.000 15.450 0 117 PRO   A C   1 ? 
ATOM   34   O  O   . PRO   A 1 5   ? 0.060   4.720   0.471   1.000 15.031 0 117 PRO   A O   1 ? 
ATOM   35   C  CB  . PRO   A 1 5   ? -2.851  6.073   0.034   1.000 15.676 0 117 PRO   A CB  1 ? 
ATOM   36   C  CG  . PRO   A 1 5   ? -2.066  6.954   -0.914  1.000 15.985 0 117 PRO   A CG  1 ? 
ATOM   37   C  CD  . PRO   A 1 5   ? -1.302  7.907   -0.013  1.000 15.726 0 117 PRO   A CD  1 ? 
ATOM   38   N  N   . TYR   A 1 6   ? -1.503  3.515   1.577   1.000 15.536 0 118 TYR   A N   1 ? 
ATOM   39   C  CA  . TYR   A 1 6   ? -0.788  2.252   1.528   1.000 15.870 0 118 TYR   A CA  1 ? 
ATOM   40   C  C   . TYR   A 1 6   ? -1.753  1.131   1.149   1.000 15.980 0 118 TYR   A C   1 ? 
ATOM   41   O  O   . TYR   A 1 6   ? -2.877  1.077   1.649   1.000 15.564 0 118 TYR   A O   1 ? 
ATOM   42   C  CB  . TYR   A 1 6   ? -0.114  1.988   2.880   1.000 16.340 0 118 TYR   A CB  1 ? 
ATOM   43   C  CG  . TYR   A 1 6   ? 0.450   0.581   3.038   1.000 17.516 0 118 TYR   A CG  1 ? 
ATOM   44   C  CD1 . TYR   A 1 6   ? 1.581   0.176   2.332   1.000 18.438 0 118 TYR   A CD1 1 ? 
ATOM   45   C  CD2 . TYR   A 1 6   ? -0.143  -0.339  3.897   1.000 17.522 0 118 TYR   A CD2 1 ? 
ATOM   46   C  CE1 . TYR   A 1 6   ? 2.095   -1.105  2.469   1.000 18.896 0 118 TYR   A CE1 1 ? 
ATOM   47   C  CE2 . TYR   A 1 6   ? 0.367   -1.618  4.048   1.000 18.203 0 118 TYR   A CE2 1 ? 
ATOM   48   C  CZ  . TYR   A 1 6   ? 1.490   -2.002  3.335   1.000 18.896 0 118 TYR   A CZ  1 ? 
ATOM   49   O  OH  . TYR   A 1 6   ? 1.986   -3.268  3.486   1.000 20.176 0 118 TYR   A OH  1 ? 
ATOM   50   N  N   . ASN   A 1 7   ? -1.286  0.241   0.266   1.000 16.420 0 119 ASN   A N   1 ? 
ATOM   51   C  CA  . ASN   A 1 7   ? -2.014  -0.967  -0.090  1.000 17.323 0 119 ASN   A CA  1 ? 
ATOM   52   C  C   . ASN   A 1 7   ? -1.352  -2.180  0.554   1.000 16.832 0 119 ASN   A C   1 ? 
ATOM   53   O  O   . ASN   A 1 7   ? -0.219  -2.523  0.219   1.000 17.698 0 119 ASN   A O   1 ? 
ATOM   54   C  CB  . ASN   A 1 7   ? -2.113  -1.167  -1.598  1.000 19.654 0 119 ASN   A CB  1 ? 
ATOM   55   C  CG  . ASN   A 1 7   ? -3.376  -0.573  -2.172  1.000 21.717 0 119 ASN   A CG  1 ? 
ATOM   56   O  OD1 . ASN   A 1 7   ? -3.308  0.276   -3.067  1.000 24.065 0 119 ASN   A OD1 1 ? 
ATOM   57   N  ND2 . ASN   A 1 7   ? -4.530  -1.011  -1.688  1.000 21.984 0 119 ASN   A ND2 1 ? 
ATOM   58   N  N   . LEU   A 1 8   ? -2.075  -2.806  1.488   1.000 16.118 0 120 LEU   A N   1 ? 
ATOM   59   C  CA  . LEU   A 1 8   ? -1.678  -4.080  2.064   1.000 15.801 0 120 LEU   A CA  1 ? 
ATOM   60   C  C   . LEU   A 1 8   ? -2.147  -5.195  1.135   1.000 15.676 0 120 LEU   A C   1 ? 
ATOM   61   O  O   . LEU   A 1 8   ? -3.346  -5.343  0.910   1.000 15.482 0 120 LEU   A O   1 ? 
ATOM   62   C  CB  . LEU   A 1 8   ? -2.274  -4.236  3.463   1.000 15.976 0 120 LEU   A CB  1 ? 
ATOM   63   C  CG  . LEU   A 1 8   ? -2.034  -5.577  4.169   1.000 15.974 0 120 LEU   A CG  1 ? 
ATOM   64   C  CD1 . LEU   A 1 8   ? -0.582  -5.775  4.579   1.000 15.839 0 120 LEU   A CD1 1 ? 
ATOM   65   C  CD2 . LEU   A 1 8   ? -2.948  -5.720  5.370   1.000 15.830 0 120 LEU   A CD2 1 ? 
ATOM   66   N  N   . PRO   A 1 9   ? -1.226  -6.009  0.566   1.000 15.821 0 121 PRO   A N   1 ? 
ATOM   67   C  CA  . PRO   A 1 9   ? -1.615  -7.109  -0.315  1.000 15.668 0 121 PRO   A CA  1 ? 
ATOM   68   C  C   . PRO   A 1 9   ? -2.299  -8.214  0.483   1.000 15.533 0 121 PRO   A C   1 ? 
ATOM   69   O  O   . PRO   A 1 9   ? -1.873  -8.541  1.588   1.000 15.528 0 121 PRO   A O   1 ? 
ATOM   70   C  CB  . PRO   A 1 9   ? -0.294  -7.584  -0.952  1.000 16.066 0 121 PRO   A CB  1 ? 
ATOM   71   C  CG  . PRO   A 1 9   ? 0.723   -6.531  -0.559  1.000 16.229 0 121 PRO   A CG  1 ? 
ATOM   72   C  CD  . PRO   A 1 9   ? 0.232   -5.914  0.742   1.000 15.978 0 121 PRO   A CD  1 ? 
ATOM   73   N  N   . LEU   A 1 10  ? -3.374  -8.763  -0.095  1.000 15.258 0 122 LEU   A N   1 ? 
ATOM   74   C  CA  . LEU   A 1 10  ? -4.088  -9.892  0.477   1.000 15.458 0 122 LEU   A CA  1 ? 
ATOM   75   C  C   . LEU   A 1 10  ? -4.075  -11.034 -0.538  1.000 15.615 0 122 LEU   A C   1 ? 
ATOM   76   O  O   . LEU   A 1 10  ? -5.062  -11.248 -1.238  1.000 15.466 0 122 LEU   A O   1 ? 
ATOM   77   C  CB  . LEU   A 1 10  ? -5.514  -9.486  0.856   1.000 15.542 0 122 LEU   A CB  1 ? 
ATOM   78   C  CG  . LEU   A 1 10  ? -5.664  -8.305  1.823   1.000 15.841 0 122 LEU   A CG  1 ? 
ATOM   79   C  CD1 . LEU   A 1 10  ? -7.123  -7.886  1.897   1.000 15.551 0 122 LEU   A CD1 1 ? 
ATOM   80   C  CD2 . LEU   A 1 10  ? -5.143  -8.620  3.216   1.000 16.136 0 122 LEU   A CD2 1 ? 
ATOM   81   N  N   . PRO   A 1 11  ? -2.968  -11.811 -0.644  1.000 15.861 0 123 PRO   A N   1 ? 
ATOM   82   C  CA  . PRO   A 1 11  ? -2.829  -12.817 -1.700  1.000 16.064 0 123 PRO   A CA  1 ? 
ATOM   83   C  C   . PRO   A 1 11  ? -3.831  -13.960 -1.586  1.000 16.250 0 123 PRO   A C   1 ? 
ATOM   84   O  O   . PRO   A 1 11  ? -3.934  -14.596 -0.542  1.000 17.663 0 123 PRO   A O   1 ? 
ATOM   85   C  CB  . PRO   A 1 11  ? -1.384  -13.311 -1.536  1.000 16.155 0 123 PRO   A CB  1 ? 
ATOM   86   C  CG  . PRO   A 1 11  ? -0.705  -12.231 -0.723  1.000 16.044 0 123 PRO   A CG  1 ? 
ATOM   87   C  CD  . PRO   A 1 11  ? -1.784  -11.747 0.229   1.000 16.145 0 123 PRO   A CD  1 ? 
ATOM   88   N  N   . GLY   A 1 12  ? -4.551  -14.218 -2.680  1.000 15.553 0 124 GLY   A N   1 ? 
ATOM   89   C  CA  . GLY   A 1 12  ? -5.598  -15.227 -2.700  1.000 15.483 0 124 GLY   A CA  1 ? 
ATOM   90   C  C   . GLY   A 1 12  ? -6.834  -14.768 -1.929  1.000 15.777 0 124 GLY   A C   1 ? 
ATOM   91   O  O   . GLY   A 1 12  ? -7.703  -15.578 -1.615  1.000 16.744 0 124 GLY   A O   1 ? 
ATOM   92   N  N   . GLY   A 1 13  ? -6.898  -13.460 -1.643  1.000 15.546 0 125 GLY   A N   1 ? 
ATOM   93   C  CA  . GLY   A 1 13  ? -8.070  -12.837 -1.048  1.000 15.161 0 125 GLY   A CA  1 ? 
ATOM   94   C  C   . GLY   A 1 13  ? -8.163  -13.106 0.451   1.000 15.028 0 125 GLY   A C   1 ? 
ATOM   95   O  O   . GLY   A 1 13  ? -7.176  -13.463 1.092   1.000 16.002 0 125 GLY   A O   1 ? 
ATOM   96   N  N   . VAL   A 1 14  ? -9.368  -12.917 0.996   1.000 14.164 0 126 VAL   A N   1 ? 
ATOM   97   C  CA  . VAL   A 1 14  ? -9.607  -13.122 2.414   1.000 13.591 0 126 VAL   A CA  1 ? 
ATOM   98   C  C   . VAL   A 1 14  ? -10.352 -14.440 2.606   1.000 13.854 0 126 VAL   A C   1 ? 
ATOM   99   O  O   . VAL   A 1 14  ? -10.885 -15.011 1.654   1.000 14.336 0 126 VAL   A O   1 ? 
ATOM   100  C  CB  . VAL   A 1 14  ? -10.348 -11.936 3.065   1.000 13.406 0 126 VAL   A CB  1 ? 
ATOM   101  C  CG1 . VAL   A 1 14  ? -9.532  -10.651 2.985   1.000 13.005 0 126 VAL   A CG1 1 ? 
ATOM   102  C  CG2 . VAL   A 1 14  ? -11.737 -11.732 2.473   1.000 13.134 0 126 VAL   A CG2 1 ? 
ATOM   103  N  N   . VAL   A 1 15  ? -10.376 -14.903 3.860   1.000 13.823 0 127 VAL   A N   1 ? 
ATOM   104  C  CA  . VAL   A 1 15  ? -10.987 -16.163 4.245   1.000 14.013 0 127 VAL   A CA  1 ? 
ATOM   105  C  C   . VAL   A 1 15  ? -11.488 -16.006 5.680   1.000 14.071 0 127 VAL   A C   1 ? 
ATOM   106  O  O   . VAL   A 1 15  ? -10.886 -15.279 6.465   1.000 13.624 0 127 VAL   A O   1 ? 
ATOM   107  C  CB  . VAL   A 1 15  ? -9.961  -17.310 4.099   1.000 14.024 0 127 VAL   A CB  1 ? 
ATOM   108  C  CG1 . VAL   A 1 15  ? -8.762  -17.151 5.030   1.000 13.941 0 127 VAL   A CG1 1 ? 
ATOM   109  C  CG2 . VAL   A 1 15  ? -10.589 -18.691 4.269   1.000 14.246 0 127 VAL   A CG2 1 ? 
ATOM   110  N  N   . PRO   A 1 16  ? -12.624 -16.631 6.067   1.000 13.937 0 128 PRO   A N   1 ? 
ATOM   111  C  CA  . PRO   A 1 16  ? -13.030 -16.664 7.474   1.000 14.241 0 128 PRO   A CA  1 ? 
ATOM   112  C  C   . PRO   A 1 16  ? -11.892 -17.068 8.409   1.000 14.359 0 128 PRO   A C   1 ? 
ATOM   113  O  O   . PRO   A 1 16  ? -11.140 -17.995 8.112   1.000 14.762 0 128 PRO   A O   1 ? 
ATOM   114  C  CB  . PRO   A 1 16  ? -14.164 -17.695 7.441   1.000 14.215 0 128 PRO   A CB  1 ? 
ATOM   115  C  CG  . PRO   A 1 16  ? -14.804 -17.441 6.099   1.000 14.128 0 128 PRO   A CG  1 ? 
ATOM   116  C  CD  . PRO   A 1 16  ? -13.608 -17.268 5.175   1.000 14.018 0 128 PRO   A CD  1 ? 
ATOM   117  N  N   . ARG   A 1 17  ? -11.782 -16.333 9.524   1.000 14.981 0 129 ARG   A N   1 ? 
ATOM   118  C  CA  . ARG   A 1 17  ? -10.806 -16.530 10.587  1.000 15.702 0 129 ARG   A CA  1 ? 
ATOM   119  C  C   . ARG   A 1 17  ? -9.602  -15.610 10.380  1.000 15.620 0 129 ARG   A C   1 ? 
ATOM   120  O  O   . ARG   A 1 17  ? -8.722  -15.544 11.233  1.000 16.522 0 129 ARG   A O   1 ? 
ATOM   121  C  CB  . ARG   A 1 17  ? -10.433 -17.995 10.851  1.000 17.227 0 129 ARG   A CB  1 ? 
ATOM   122  C  CG  . ARG   A 1 17  ? -11.527 -18.789 11.553  1.000 19.471 0 129 ARG   A CG  1 ? 
ATOM   123  C  CD  . ARG   A 1 17  ? -11.084 -20.217 11.846  1.000 21.778 0 129 ARG   A CD  1 ? 
ATOM   124  N  NE  . ARG   A 1 17  ? -10.825 -20.993 10.628  1.000 24.561 0 129 ARG   A NE  1 ? 
ATOM   125  C  CZ  . ARG   A 1 17  ? -10.236 -22.183 10.575  1.000 26.010 0 129 ARG   A CZ  1 ? 
ATOM   126  N  NH1 . ARG   A 1 17  ? -9.775  -22.751 11.676  1.000 26.525 0 129 ARG   A NH1 1 ? 
ATOM   127  N  NH2 . ARG   A 1 17  ? -10.104 -22.799 9.414   1.000 27.253 0 129 ARG   A NH2 1 ? 
ATOM   128  N  N   . MET   A 1 18  ? -9.590  -14.878 9.259   1.000 15.507 0 130 MET   A N   1 ? 
ATOM   129  C  CA  . MET   A 1 18  ? -8.543  -13.904 8.989   1.000 15.613 0 130 MET   A CA  1 ? 
ATOM   130  C  C   . MET   A 1 18  ? -8.812  -12.642 9.806   1.000 15.064 0 130 MET   A C   1 ? 
ATOM   131  O  O   . MET   A 1 18  ? -9.869  -12.029 9.673   1.000 14.561 0 130 MET   A O   1 ? 
ATOM   132  C  CB  . MET   A 1 18  ? -8.489  -13.570 7.494   1.000 16.492 0 130 MET   A CB  1 ? 
ATOM   133  C  CG  . MET   A 1 18  ? -7.264  -12.799 7.043   1.000 17.937 0 130 MET   A CG  1 ? 
ATOM   134  S  SD  . MET   A 1 18  ? -7.269  -12.782 5.240   1.000 20.048 0 130 MET   A SD  1 ? 
ATOM   135  C  CE  . MET   A 1 18  ? -5.700  -11.985 4.875   1.000 20.244 0 130 MET   A CE  1 ? 
ATOM   136  N  N   . LEU   A 1 19  ? -7.838  -12.276 10.652  1.000 14.480 0 131 LEU   A N   1 ? 
ATOM   137  C  CA  . LEU   A 1 19  ? -7.924  -11.095 11.498  1.000 14.304 0 131 LEU   A CA  1 ? 
ATOM   138  C  C   . LEU   A 1 19  ? -6.882  -10.080 11.037  1.000 13.811 0 131 LEU   A C   1 ? 
ATOM   139  O  O   . LEU   A 1 19  ? -5.685  -10.341 11.097  1.000 13.743 0 131 LEU   A O   1 ? 
ATOM   140  C  CB  . LEU   A 1 19  ? -7.727  -11.480 12.965  1.000 14.815 0 131 LEU   A CB  1 ? 
ATOM   141  C  CG  . LEU   A 1 19  ? -7.702  -10.332 13.981  1.000 15.633 0 131 LEU   A CG  1 ? 
ATOM   142  C  CD1 . LEU   A 1 19  ? -9.063  -9.669  14.134  1.000 15.710 0 131 LEU   A CD1 1 ? 
ATOM   143  C  CD2 . LEU   A 1 19  ? -7.192  -10.814 15.330  1.000 16.149 0 131 LEU   A CD2 1 ? 
ATOM   144  N  N   . ILE   A 1 20  ? -7.355  -8.918  10.581  1.000 13.487 0 132 ILE   A N   1 ? 
ATOM   145  C  CA  . ILE   A 1 20  ? -6.479  -7.876  10.072  1.000 13.422 0 132 ILE   A CA  1 ? 
ATOM   146  C  C   . ILE   A 1 20  ? -6.397  -6.767  11.118  1.000 13.261 0 132 ILE   A C   1 ? 
ATOM   147  O  O   . ILE   A 1 20  ? -7.428  -6.293  11.590  1.000 13.107 0 132 ILE   A O   1 ? 
ATOM   148  C  CB  . ILE   A 1 20  ? -7.016  -7.365  8.722   1.000 13.739 0 132 ILE   A CB  1 ? 
ATOM   149  C  CG1 . ILE   A 1 20  ? -7.131  -8.511  7.709   1.000 14.160 0 132 ILE   A CG1 1 ? 
ATOM   150  C  CG2 . ILE   A 1 20  ? -6.161  -6.214  8.186   1.000 13.777 0 132 ILE   A CG2 1 ? 
ATOM   151  C  CD1 . ILE   A 1 20  ? -8.207  -8.316  6.658   1.000 14.942 0 132 ILE   A CD1 1 ? 
ATOM   152  N  N   . THR   A 1 21  ? -5.167  -6.367  11.469  1.000 12.958 0 133 THR   A N   1 ? 
ATOM   153  C  CA  . THR   A 1 21  ? -4.942  -5.346  12.482  1.000 12.786 0 133 THR   A CA  1 ? 
ATOM   154  C  C   . THR   A 1 21  ? -4.239  -4.144  11.856  1.000 12.664 0 133 THR   A C   1 ? 
ATOM   155  O  O   . THR   A 1 21  ? -3.150  -4.277  11.297  1.000 12.988 0 133 THR   A O   1 ? 
ATOM   156  C  CB  . THR   A 1 21  ? -4.139  -5.913  13.655  1.000 13.020 0 133 THR   A CB  1 ? 
ATOM   157  O  OG1 . THR   A 1 21  ? -4.898  -6.998  14.178  1.000 13.372 0 133 THR   A OG1 1 ? 
ATOM   158  C  CG2 . THR   A 1 21  ? -3.890  -4.883  14.745  1.000 12.680 0 133 THR   A CG2 1 ? 
ATOM   159  N  N   A ILE   A 1 22  ? -4.880  -2.974  11.968  0.500 12.369 0 134 ILE   A N   1 ? 
ATOM   160  N  N   B ILE   A 1 22  ? -4.894  -2.979  11.948  0.500 12.369 0 134 ILE   A N   1 ? 
ATOM   161  C  CA  A ILE   A 1 22  ? -4.319  -1.713  11.514  0.500 12.152 0 134 ILE   A CA  1 ? 
ATOM   162  C  CA  B ILE   A 1 22  ? -4.337  -1.705  11.523  0.500 12.145 0 134 ILE   A CA  1 ? 
ATOM   163  C  C   A ILE   A 1 22  ? -4.040  -0.852  12.743  0.500 11.968 0 134 ILE   A C   1 ? 
ATOM   164  C  C   B ILE   A 1 22  ? -4.036  -0.882  12.773  0.500 11.953 0 134 ILE   A C   1 ? 
ATOM   165  O  O   A ILE   A 1 22  ? -4.960  -0.518  13.489  0.500 11.767 0 134 ILE   A O   1 ? 
ATOM   166  O  O   B ILE   A 1 22  ? -4.939  -0.596  13.558  0.500 11.713 0 134 ILE   A O   1 ? 
ATOM   167  C  CB  A ILE   A 1 22  ? -5.279  -1.002  10.541  0.500 12.219 0 134 ILE   A CB  1 ? 
ATOM   168  C  CB  B ILE   A 1 22  ? -5.313  -0.951  10.598  0.500 12.212 0 134 ILE   A CB  1 ? 
ATOM   169  C  CG1 A ILE   A 1 22  ? -5.803  -1.941  9.450   0.500 12.446 0 134 ILE   A CG1 1 ? 
ATOM   170  C  CG1 B ILE   A 1 22  ? -5.720  -1.771  9.370   0.500 12.456 0 134 ILE   A CG1 1 ? 
ATOM   171  C  CG2 A ILE   A 1 22  ? -4.626  0.248   9.952   0.500 12.284 0 134 ILE   A CG2 1 ? 
ATOM   172  C  CG2 B ILE   A 1 22  ? -4.740  0.411   10.204  0.500 12.250 0 134 ILE   A CG2 1 ? 
ATOM   173  C  CD1 A ILE   A 1 22  ? -4.718  -2.664  8.673   0.500 12.509 0 134 ILE   A CD1 1 ? 
ATOM   174  C  CD1 B ILE   A 1 22  ? -6.745  -2.853  9.659   0.500 12.654 0 134 ILE   A CD1 1 ? 
ATOM   175  N  N   . LEU   A 1 23  ? -2.761  -0.512  12.944  1.000 11.845 0 135 LEU   A N   1 ? 
ATOM   176  C  CA  . LEU   A 1 23  ? -2.347  0.365   14.030  1.000 11.953 0 135 LEU   A CA  1 ? 
ATOM   177  C  C   . LEU   A 1 23  ? -1.940  1.716   13.449  1.000 11.915 0 135 LEU   A C   1 ? 
ATOM   178  O  O   . LEU   A 1 23  ? -1.268  1.781   12.422  1.000 11.946 0 135 LEU   A O   1 ? 
ATOM   179  C  CB  . LEU   A 1 23  ? -1.193  -0.259  14.815  1.000 12.144 0 135 LEU   A CB  1 ? 
ATOM   180  C  CG  . LEU   A 1 23  ? -1.497  -1.560  15.565  1.000 12.522 0 135 LEU   A CG  1 ? 
ATOM   181  C  CD1 . LEU   A 1 23  ? -0.194  -2.217  15.987  1.000 12.841 0 135 LEU   A CD1 1 ? 
ATOM   182  C  CD2 . LEU   A 1 23  ? -2.362  -1.280  16.782  1.000 12.814 0 135 LEU   A CD2 1 ? 
ATOM   183  N  N   . GLY   A 1 24  ? -2.344  2.793   14.126  1.000 12.002 0 136 GLY   A N   1 ? 
ATOM   184  C  CA  . GLY   A 1 24  ? -1.941  4.123   13.708  1.000 12.550 0 136 GLY   A CA  1 ? 
ATOM   185  C  C   . GLY   A 1 24  ? -2.322  5.179   14.738  1.000 13.109 0 136 GLY   A C   1 ? 
ATOM   186  O  O   . GLY   A 1 24  ? -2.792  4.850   15.826  1.000 13.436 0 136 GLY   A O   1 ? 
ATOM   187  N  N   . THR   A 1 25  ? -2.090  6.444   14.371  1.000 13.229 0 137 THR   A N   1 ? 
ATOM   188  C  CA  . THR   A 1 25  ? -2.524  7.591   15.148  1.000 13.743 0 137 THR   A CA  1 ? 
ATOM   189  C  C   . THR   A 1 25  ? -3.298  8.527   14.225  1.000 13.800 0 137 THR   A C   1 ? 
ATOM   190  O  O   . THR   A 1 25  ? -2.865  8.796   13.106  1.000 13.495 0 137 THR   A O   1 ? 
ATOM   191  C  CB  . THR   A 1 25  ? -1.321  8.286   15.788  1.000 14.068 0 137 THR   A CB  1 ? 
ATOM   192  O  OG1 . THR   A 1 25  ? -0.684  7.305   16.599  1.000 14.600 0 137 THR   A OG1 1 ? 
ATOM   193  C  CG2 . THR   A 1 25  ? -1.724  9.456   16.670  1.000 14.494 0 137 THR   A CG2 1 ? 
ATOM   194  N  N   . VAL   A 1 26  ? -4.454  8.996   14.706  1.000 13.717 0 138 VAL   A N   1 ? 
ATOM   195  C  CA  . VAL   A 1 26  ? -5.262  9.963   13.981  1.000 14.568 0 138 VAL   A CA  1 ? 
ATOM   196  C  C   . VAL   A 1 26  ? -4.544  11.310  14.035  1.000 15.164 0 138 VAL   A C   1 ? 
ATOM   197  O  O   . VAL   A 1 26  ? -4.031  11.695  15.082  1.000 15.382 0 138 VAL   A O   1 ? 
ATOM   198  C  CB  . VAL   A 1 26  ? -6.685  10.070  14.565  1.000 14.606 0 138 VAL   A CB  1 ? 
ATOM   199  C  CG1 . VAL   A 1 26  ? -7.589  10.937  13.698  1.000 14.499 0 138 VAL   A CG1 1 ? 
ATOM   200  C  CG2 . VAL   A 1 26  ? -7.330  8.704   14.782  1.000 14.760 0 138 VAL   A CG2 1 ? 
ATOM   201  N  N   . LYS   A 1 27  ? -4.500  12.008  12.895  1.000 15.887 0 139 LYS   A N   1 ? 
ATOM   202  C  CA  . LYS   A 1 27  ? -3.872  13.319  12.819  1.000 17.610 0 139 LYS   A CA  1 ? 
ATOM   203  C  C   . LYS   A 1 27  ? -4.677  14.337  13.629  1.000 18.093 0 139 LYS   A C   1 ? 
ATOM   204  O  O   . LYS   A 1 27  ? -5.880  14.164  13.812  1.000 17.189 0 139 LYS   A O   1 ? 
ATOM   205  C  CB  . LYS   A 1 27  ? -3.707  13.743  11.356  1.000 18.630 0 139 LYS   A CB  1 ? 
ATOM   206  C  CG  . LYS   A 1 27  ? -2.628  12.972  10.609  1.000 20.269 0 139 LYS   A CG  1 ? 
ATOM   207  C  CD  . LYS   A 1 27  ? -2.396  13.514  9.205   1.000 21.960 0 139 LYS   A CD  1 ? 
ATOM   208  C  CE  . LYS   A 1 27  ? -1.218  12.879  8.539   1.000 23.537 0 139 LYS   A CE  1 ? 
ATOM   209  N  NZ  . LYS   A 1 27  ? -0.960  13.473  7.225   1.000 25.116 0 139 LYS   A NZ  1 ? 
ATOM   210  N  N   A PRO   A 1 28  ? -4.026  15.403  14.157  0.500 18.755 0 140 PRO   A N   1 ? 
ATOM   211  N  N   B PRO   A 1 28  ? -4.049  15.428  14.125  0.500 18.559 0 140 PRO   A N   1 ? 
ATOM   212  C  CA  A PRO   A 1 28  ? -4.666  16.326  15.101  0.500 19.209 0 140 PRO   A CA  1 ? 
ATOM   213  C  CA  B PRO   A 1 28  ? -4.804  16.570  14.645  0.500 18.961 0 140 PRO   A CA  1 ? 
ATOM   214  C  C   A PRO   A 1 28  ? -5.952  16.988  14.614  0.500 19.720 0 140 PRO   A C   1 ? 
ATOM   215  C  C   B PRO   A 1 28  ? -5.656  17.154  13.521  0.500 19.100 0 140 PRO   A C   1 ? 
ATOM   216  O  O   A PRO   A 1 28  ? -6.883  17.178  15.391  0.500 19.518 0 140 PRO   A O   1 ? 
ATOM   217  O  O   B PRO   A 1 28  ? -5.196  17.269  12.388  0.500 19.354 0 140 PRO   A O   1 ? 
ATOM   218  C  CB  A PRO   A 1 28  ? -3.565  17.362  15.395  0.500 19.304 0 140 PRO   A CB  1 ? 
ATOM   219  C  CB  B PRO   A 1 28  ? -3.709  17.546  15.108  0.500 18.965 0 140 PRO   A CB  1 ? 
ATOM   220  C  CG  A PRO   A 1 28  ? -2.278  16.640  15.072  0.500 19.340 0 140 PRO   A CG  1 ? 
ATOM   221  C  CG  B PRO   A 1 28  ? -2.501  16.663  15.329  0.500 18.941 0 140 PRO   A CG  1 ? 
ATOM   222  C  CD  A PRO   A 1 28  ? -2.623  15.761  13.884  0.500 19.008 0 140 PRO   A CD  1 ? 
ATOM   223  C  CD  B PRO   A 1 28  ? -2.591  15.604  14.244  0.500 18.745 0 140 PRO   A CD  1 ? 
ATOM   224  N  N   A ASN   A 1 29  ? -5.988  17.350  13.329  0.500 20.264 0 141 ASN   A N   1 ? 
ATOM   225  N  N   B ASN   A 1 29  ? -6.908  17.491  13.847  0.500 19.923 0 141 ASN   A N   1 ? 
ATOM   226  C  CA  A ASN   A 1 29  ? -7.169  17.982  12.761  0.500 21.073 0 141 ASN   A CA  1 ? 
ATOM   227  C  CA  B ASN   A 1 29  ? -7.817  18.130  12.909  0.500 20.495 0 141 ASN   A CA  1 ? 
ATOM   228  C  C   A ASN   A 1 29  ? -7.733  17.106  11.648  0.500 20.946 0 141 ASN   A C   1 ? 
ATOM   229  C  C   B ASN   A 1 29  ? -8.149  17.191  11.751  0.500 20.437 0 141 ASN   A C   1 ? 
ATOM   230  O  O   A ASN   A 1 29  ? -7.832  17.543  10.503  0.500 20.920 0 141 ASN   A O   1 ? 
ATOM   231  O  O   B ASN   A 1 29  ? -8.423  17.656  10.647  0.500 20.256 0 141 ASN   A O   1 ? 
ATOM   232  C  CB  A ASN   A 1 29  ? -6.890  19.408  12.295  0.500 21.908 0 141 ASN   A CB  1 ? 
ATOM   233  C  CB  B ASN   A 1 29  ? -7.240  19.425  12.344  0.500 20.950 0 141 ASN   A CB  1 ? 
ATOM   234  C  CG  A ASN   A 1 29  ? -6.995  20.410  13.419  0.500 22.813 0 141 ASN   A CG  1 ? 
ATOM   235  C  CG  B ASN   A 1 29  ? -6.681  20.328  13.416  0.500 21.596 0 141 ASN   A CG  1 ? 
ATOM   236  O  OD1 A ASN   A 1 29  ? -6.225  20.354  14.385  0.500 23.363 0 141 ASN   A OD1 1 ? 
ATOM   237  O  OD1 B ASN   A 1 29  ? -7.359  20.612  14.411  0.500 21.456 0 141 ASN   A OD1 1 ? 
ATOM   238  N  ND2 A ASN   A 1 29  ? -7.940  21.334  13.314  0.500 22.728 0 141 ASN   A ND2 1 ? 
ATOM   239  N  ND2 B ASN   A 1 29  ? -5.450  20.783  13.235  0.500 21.668 0 141 ASN   A ND2 1 ? 
ATOM   240  N  N   . ALA   A 1 30  ? -8.121  15.877  12.012  1.000 20.805 0 142 ALA   A N   1 ? 
ATOM   241  C  CA  . ALA   A 1 30  ? -8.529  14.871  11.041  1.000 20.560 0 142 ALA   A CA  1 ? 
ATOM   242  C  C   . ALA   A 1 30  ? -9.942  15.151  10.536  1.000 20.257 0 142 ALA   A C   1 ? 
ATOM   243  O  O   . ALA   A 1 30  ? -10.803 15.589  11.298  1.000 20.150 0 142 ALA   A O   1 ? 
ATOM   244  C  CB  . ALA   A 1 30  ? -8.444  13.492  11.654  1.000 20.136 0 142 ALA   A CB  1 ? 
ATOM   245  N  N   . ASN   A 1 31  ? -10.158 14.875  9.244   1.000 20.208 0 143 ASN   A N   1 ? 
ATOM   246  C  CA  . ASN   A 1 31  ? -11.475 14.975  8.636   1.000 20.281 0 143 ASN   A CA  1 ? 
ATOM   247  C  C   . ASN   A 1 31  ? -12.039 13.588  8.334   1.000 19.162 0 143 ASN   A C   1 ? 
ATOM   248  O  O   . ASN   A 1 31  ? -13.239 13.374  8.491   1.000 18.436 0 143 ASN   A O   1 ? 
ATOM   249  C  CB  . ASN   A 1 31  ? -11.474 15.852  7.389   1.000 21.879 0 143 ASN   A CB  1 ? 
ATOM   250  C  CG  . ASN   A 1 31  ? -11.278 17.311  7.721   1.000 24.093 0 143 ASN   A CG  1 ? 
ATOM   251  O  OD1 . ASN   A 1 31  ? -11.989 17.859  8.573   1.000 24.876 0 143 ASN   A OD1 1 ? 
ATOM   252  N  ND2 . ASN   A 1 31  ? -10.319 17.952  7.068   1.000 24.898 0 143 ASN   A ND2 1 ? 
ATOM   253  N  N   . ARG   A 1 32  ? -11.177 12.662  7.884   1.000 18.352 0 144 ARG   A N   1 ? 
ATOM   254  C  CA  . ARG   A 1 32  ? -11.650 11.361  7.431   1.000 17.621 0 144 ARG   A CA  1 ? 
ATOM   255  C  C   . ARG   A 1 32  ? -10.548 10.303  7.489   1.000 16.546 0 144 ARG   A C   1 ? 
ATOM   256  O  O   . ARG   A 1 32  ? -9.360  10.615  7.421   1.000 16.490 0 144 ARG   A O   1 ? 
ATOM   257  C  CB  . ARG   A 1 32  ? -12.213 11.449  6.007   1.000 19.284 0 144 ARG   A CB  1 ? 
ATOM   258  C  CG  . ARG   A 1 32  ? -11.243 12.010  4.977   1.000 20.989 0 144 ARG   A CG  1 ? 
ATOM   259  C  CD  . ARG   A 1 32  ? -11.868 12.143  3.601   1.000 23.166 0 144 ARG   A CD  1 ? 
ATOM   260  N  NE  . ARG   A 1 32  ? -10.903 12.694  2.643   1.000 26.454 0 144 ARG   A NE  1 ? 
ATOM   261  C  CZ  . ARG   A 1 32  ? -11.066 12.767  1.325   1.000 27.150 0 144 ARG   A CZ  1 ? 
ATOM   262  N  NH1 . ARG   A 1 32  ? -12.164 12.297  0.759   1.000 28.736 0 144 ARG   A NH1 1 ? 
ATOM   263  N  NH2 . ARG   A 1 32  ? -10.121 13.305  0.577   1.000 27.708 0 144 ARG   A NH2 1 ? 
ATOM   264  N  N   . ILE   A 1 33  ? -10.983 9.043   7.618   1.000 15.066 0 145 ILE   A N   1 ? 
ATOM   265  C  CA  . ILE   A 1 33  ? -10.150 7.857   7.469   1.000 14.053 0 145 ILE   A CA  1 ? 
ATOM   266  C  C   . ILE   A 1 33  ? -10.885 6.918   6.515   1.000 13.070 0 145 ILE   A C   1 ? 
ATOM   267  O  O   . ILE   A 1 33  ? -12.111 6.941   6.466   1.000 12.176 0 145 ILE   A O   1 ? 
ATOM   268  C  CB  . ILE   A 1 33  ? -9.908  7.176   8.831   1.000 14.363 0 145 ILE   A CB  1 ? 
ATOM   269  C  CG1 . ILE   A 1 33  ? -9.427  8.172   9.900   1.000 14.906 0 145 ILE   A CG1 1 ? 
ATOM   270  C  CG2 . ILE   A 1 33  ? -8.956  5.986   8.685   1.000 14.626 0 145 ILE   A CG2 1 ? 
ATOM   271  C  CD1 . ILE   A 1 33  ? -9.360  7.599   11.305  1.000 15.368 0 145 ILE   A CD1 1 ? 
ATOM   272  N  N   . ALA   A 1 34  ? -10.142 6.098   5.759   1.000 12.635 0 146 ALA   A N   1 ? 
ATOM   273  C  CA  . ALA   A 1 34  ? -10.779 5.113   4.897   1.000 12.263 0 146 ALA   A CA  1 ? 
ATOM   274  C  C   . ALA   A 1 34  ? -9.965  3.823   4.838   1.000 12.064 0 146 ALA   A C   1 ? 
ATOM   275  O  O   . ALA   A 1 34  ? -8.752  3.852   4.645   1.000 12.702 0 146 ALA   A O   1 ? 
ATOM   276  C  CB  . ALA   A 1 34  ? -11.021 5.678   3.512   1.000 12.241 0 146 ALA   A CB  1 ? 
ATOM   277  N  N   . LEU   A 1 35  ? -10.662 2.696   5.026   1.000 11.882 0 147 LEU   A N   1 ? 
ATOM   278  C  CA  . LEU   A 1 35  ? -10.177 1.378   4.646   1.000 11.844 0 147 LEU   A CA  1 ? 
ATOM   279  C  C   . LEU   A 1 35  ? -10.966 0.921   3.423   1.000 11.831 0 147 LEU   A C   1 ? 
ATOM   280  O  O   . LEU   A 1 35  ? -12.185 1.077   3.382   1.000 11.849 0 147 LEU   A O   1 ? 
ATOM   281  C  CB  . LEU   A 1 35  ? -10.338 0.371   5.785   1.000 12.561 0 147 LEU   A CB  1 ? 
ATOM   282  C  CG  . LEU   A 1 35  ? -9.651  0.694   7.115   1.000 13.352 0 147 LEU   A CG  1 ? 
ATOM   283  C  CD1 . LEU   A 1 35  ? -9.925  -0.434  8.097   1.000 13.960 0 147 LEU   A CD1 1 ? 
ATOM   284  C  CD2 . LEU   A 1 35  ? -8.155  0.925   6.993   1.000 13.729 0 147 LEU   A CD2 1 ? 
ATOM   285  N  N   . ASP   A 1 36  ? -10.262 0.360   2.432   1.000 11.570 0 148 ASP   A N   1 ? 
ATOM   286  C  CA  . ASP   A 1 36  ? -10.894 -0.110  1.207   1.000 11.853 0 148 ASP   A CA  1 ? 
ATOM   287  C  C   . ASP   A 1 36  ? -10.451 -1.539  0.889   1.000 11.386 0 148 ASP   A C   1 ? 
ATOM   288  O  O   . ASP   A 1 36  ? -9.336  -1.752  0.414   1.000 11.067 0 148 ASP   A O   1 ? 
ATOM   289  C  CB  . ASP   A 1 36  ? -10.584 0.824   0.047   1.000 12.817 0 148 ASP   A CB  1 ? 
ATOM   290  C  CG  . ASP   A 1 36  ? -11.300 2.166   0.077   1.000 14.034 0 148 ASP   A CG  1 ? 
ATOM   291  O  OD1 . ASP   A 1 36  ? -12.461 2.213   -0.367  1.000 14.938 0 148 ASP   A OD1 1 ? 
ATOM   292  O  OD2 . ASP   A 1 36  ? -10.698 3.148   0.563   1.000 14.747 0 148 ASP   A OD2 1 ? 
ATOM   293  N  N   . PHE   A 1 37  ? -11.347 -2.508  1.122   1.000 10.655 0 149 PHE   A N   1 ? 
ATOM   294  C  CA  . PHE   A 1 37  ? -11.131 -3.886  0.701   1.000 10.716 0 149 PHE   A CA  1 ? 
ATOM   295  C  C   . PHE   A 1 37  ? -11.540 -4.010  -0.763  1.000 10.641 0 149 PHE   A C   1 ? 
ATOM   296  O  O   . PHE   A 1 37  ? -12.714 -3.847  -1.087  1.000 10.619 0 149 PHE   A O   1 ? 
ATOM   297  C  CB  . PHE   A 1 37  ? -11.932 -4.868  1.561   1.000 10.856 0 149 PHE   A CB  1 ? 
ATOM   298  C  CG  . PHE   A 1 37  ? -11.393 -5.046  2.973   1.000 11.362 0 149 PHE   A CG  1 ? 
ATOM   299  C  CD1 . PHE   A 1 37  ? -11.782 -4.191  4.002   1.000 11.434 0 149 PHE   A CD1 1 ? 
ATOM   300  C  CD2 . PHE   A 1 37  ? -10.490 -6.065  3.262   1.000 11.642 0 149 PHE   A CD2 1 ? 
ATOM   301  C  CE1 . PHE   A 1 37  ? -11.282 -4.359  5.287   1.000 11.824 0 149 PHE   A CE1 1 ? 
ATOM   302  C  CE2 . PHE   A 1 37  ? -9.993  -6.226  4.547   1.000 11.951 0 149 PHE   A CE2 1 ? 
ATOM   303  C  CZ  . PHE   A 1 37  ? -10.390 -5.375  5.556   1.000 11.936 0 149 PHE   A CZ  1 ? 
ATOM   304  N  N   . GLN   A 1 38  ? -10.562 -4.305  -1.628  1.000 10.493 0 150 GLN   A N   1 ? 
ATOM   305  C  CA  . GLN   A 1 38  ? -10.735 -4.172  -3.066  1.000 11.343 0 150 GLN   A CA  1 ? 
ATOM   306  C  C   . GLN   A 1 38  ? -10.759 -5.545  -3.728  1.000 10.830 0 150 GLN   A C   1 ? 
ATOM   307  O  O   . GLN   A 1 38  ? -9.991  -6.431  -3.360  1.000 10.873 0 150 GLN   A O   1 ? 
ATOM   308  C  CB  . GLN   A 1 38  ? -9.576  -3.379  -3.672  1.000 12.816 0 150 GLN   A CB  1 ? 
ATOM   309  C  CG  . GLN   A 1 38  ? -9.403  -1.980  -3.089  1.000 14.977 0 150 GLN   A CG  1 ? 
ATOM   310  C  CD  . GLN   A 1 38  ? -7.984  -1.460  -3.188  1.000 16.542 0 150 GLN   A CD  1 ? 
ATOM   311  O  OE1 . GLN   A 1 38  ? -7.322  -1.190  -2.177  1.000 18.132 0 150 GLN   A OE1 1 ? 
ATOM   312  N  NE2 . GLN   A 1 38  ? -7.493  -1.323  -4.412  1.000 17.193 0 150 GLN   A NE2 1 ? 
ATOM   313  N  N   . ARG   A 1 39  ? -11.665 -5.690  -4.703  1.000 10.304 0 151 ARG   A N   1 ? 
ATOM   314  C  CA  . ARG   A 1 39  ? -11.654 -6.778  -5.666  1.000 10.184 0 151 ARG   A CA  1 ? 
ATOM   315  C  C   . ARG   A 1 39  ? -11.512 -6.164  -7.056  1.000 9.890  0 151 ARG   A C   1 ? 
ATOM   316  O  O   . ARG   A 1 39  ? -12.505 -5.788  -7.678  1.000 9.665  0 151 ARG   A O   1 ? 
ATOM   317  C  CB  . ARG   A 1 39  ? -12.933 -7.617  -5.552  1.000 10.577 0 151 ARG   A CB  1 ? 
ATOM   318  C  CG  . ARG   A 1 39  ? -13.065 -8.706  -6.611  1.000 10.950 0 151 ARG   A CG  1 ? 
ATOM   319  C  CD  . ARG   A 1 39  ? -14.368 -9.491  -6.539  1.000 11.898 0 151 ARG   A CD  1 ? 
ATOM   320  N  NE  . ARG   A 1 39  ? -14.489 -10.420 -7.670  1.000 12.366 0 151 ARG   A NE  1 ? 
ATOM   321  C  CZ  . ARG   A 1 39  ? -15.424 -10.384 -8.619  1.000 12.927 0 151 ARG   A CZ  1 ? 
ATOM   322  N  NH1 . ARG   A 1 39  ? -16.392 -9.485  -8.593  1.000 13.291 0 151 ARG   A NH1 1 ? 
ATOM   323  N  NH2 . ARG   A 1 39  ? -15.377 -11.256 -9.610  1.000 13.443 0 151 ARG   A NH2 1 ? 
ATOM   324  N  N   . GLY   A 1 40  ? -10.265 -6.069  -7.529  1.000 9.879  0 152 GLY   A N   1 ? 
ATOM   325  C  CA  . GLY   A 1 40  ? -9.963  -5.273  -8.707  1.000 10.098 0 152 GLY   A CA  1 ? 
ATOM   326  C  C   . GLY   A 1 40  ? -10.415 -3.830  -8.490  1.000 10.317 0 152 GLY   A C   1 ? 
ATOM   327  O  O   . GLY   A 1 40  ? -10.058 -3.214  -7.485  1.000 10.524 0 152 GLY   A O   1 ? 
ATOM   328  N  N   . ASN   A 1 41  ? -11.245 -3.318  -9.408  1.000 10.207 0 153 ASN   A N   1 ? 
ATOM   329  C  CA  . ASN   A 1 41  ? -11.735 -1.950  -9.312  1.000 10.348 0 153 ASN   A CA  1 ? 
ATOM   330  C  C   . ASN   A 1 41  ? -12.889 -1.857  -8.316  1.000 10.383 0 153 ASN   A C   1 ? 
ATOM   331  O  O   . ASN   A 1 41  ? -13.219 -0.764  -7.858  1.000 10.265 0 153 ASN   A O   1 ? 
ATOM   332  C  CB  . ASN   A 1 41  ? -12.135 -1.370  -10.666 1.000 10.810 0 153 ASN   A CB  1 ? 
ATOM   333  C  CG  . ASN   A 1 41  ? -12.571 0.073   -10.545 1.000 11.247 0 153 ASN   A CG  1 ? 
ATOM   334  O  OD1 . ASN   A 1 41  ? -11.796 0.922   -10.091 1.000 11.853 0 153 ASN   A OD1 1 ? 
ATOM   335  N  ND2 . ASN   A 1 41  ? -13.809 0.362   -10.915 1.000 11.527 0 153 ASN   A ND2 1 ? 
ATOM   336  N  N   . ASP   A 1 42  ? -13.503 -3.002  -7.990  1.000 10.341 0 154 ASP   A N   1 ? 
ATOM   337  C  CA  . ASP   A 1 42  ? -14.624 -3.007  -7.062  1.000 10.545 0 154 ASP   A CA  1 ? 
ATOM   338  C  C   . ASP   A 1 42  ? -14.114 -2.841  -5.633  1.000 10.441 0 154 ASP   A C   1 ? 
ATOM   339  O  O   . ASP   A 1 42  ? -13.033 -3.318  -5.294  1.000 10.688 0 154 ASP   A O   1 ? 
ATOM   340  C  CB  . ASP   A 1 42  ? -15.506 -4.231  -7.244  1.000 11.364 0 154 ASP   A CB  1 ? 
ATOM   341  C  CG  . ASP   A 1 42  ? -16.471 -4.177  -8.422  1.000 12.007 0 154 ASP   A CG  1 ? 
ATOM   342  O  OD1 . ASP   A 1 42  ? -16.505 -3.135  -9.118  1.000 12.583 0 154 ASP   A OD1 1 ? 
ATOM   343  O  OD2 . ASP   A 1 42  ? -17.188 -5.179  -8.634  1.000 12.941 0 154 ASP   A OD2 1 ? 
ATOM   344  N  N   . VAL   A 1 43  ? -14.898 -2.138  -4.809  1.000 9.971  0 155 VAL   A N   1 ? 
ATOM   345  C  CA  . VAL   A 1 43  ? -14.598 -2.040  -3.390  1.000 9.813  0 155 VAL   A CA  1 ? 
ATOM   346  C  C   . VAL   A 1 43  ? -15.634 -2.873  -2.644  1.000 9.656  0 155 VAL   A C   1 ? 
ATOM   347  O  O   . VAL   A 1 43  ? -16.794 -2.479  -2.542  1.000 9.715  0 155 VAL   A O   1 ? 
ATOM   348  C  CB  . VAL   A 1 43  ? -14.541 -0.597  -2.846  1.000 9.944  0 155 VAL   A CB  1 ? 
ATOM   349  C  CG1 . VAL   A 1 43  ? -14.192 -0.573  -1.361  1.000 10.002 0 155 VAL   A CG1 1 ? 
ATOM   350  C  CG2 . VAL   A 1 43  ? -13.567 0.265   -3.642  1.000 9.957  0 155 VAL   A CG2 1 ? 
ATOM   351  N  N   . ALA   A 1 44  ? -15.193 -4.027  -2.135  1.000 9.624  0 156 ALA   A N   1 ? 
ATOM   352  C  CA  . ALA   A 1 44  ? -16.068 -4.951  -1.433  1.000 9.613  0 156 ALA   A CA  1 ? 
ATOM   353  C  C   . ALA   A 1 44  ? -16.563 -4.318  -0.138  1.000 9.430  0 156 ALA   A C   1 ? 
ATOM   354  O  O   . ALA   A 1 44  ? -17.729 -4.460  0.213   1.000 9.482  0 156 ALA   A O   1 ? 
ATOM   355  C  CB  . ALA   A 1 44  ? -15.336 -6.247  -1.164  1.000 9.684  0 156 ALA   A CB  1 ? 
ATOM   356  N  N   . PHE   A 1 45  ? -15.657 -3.634  0.567   1.000 9.165  0 157 PHE   A N   1 ? 
ATOM   357  C  CA  . PHE   A 1 45  ? -15.980 -3.048  1.856   1.000 9.162  0 157 PHE   A CA  1 ? 
ATOM   358  C  C   . PHE   A 1 45  ? -15.160 -1.775  2.041   1.000 9.342  0 157 PHE   A C   1 ? 
ATOM   359  O  O   . PHE   A 1 45  ? -13.937 -1.830  2.164   1.000 9.363  0 157 PHE   A O   1 ? 
ATOM   360  C  CB  . PHE   A 1 45  ? -15.767 -4.090  2.961   1.000 8.941  0 157 PHE   A CB  1 ? 
ATOM   361  C  CG  . PHE   A 1 45  ? -15.958 -3.596  4.391   1.000 9.011  0 157 PHE   A CG  1 ? 
ATOM   362  C  CD1 . PHE   A 1 45  ? -16.953 -2.674  4.714   1.000 9.001  0 157 PHE   A CD1 1 ? 
ATOM   363  C  CD2 . PHE   A 1 45  ? -15.129 -4.056  5.412   1.000 9.040  0 157 PHE   A CD2 1 ? 
ATOM   364  C  CE1 . PHE   A 1 45  ? -17.116 -2.237  6.025   1.000 9.088  0 157 PHE   A CE1 1 ? 
ATOM   365  C  CE2 . PHE   A 1 45  ? -15.299 -3.619  6.718   1.000 9.061  0 157 PHE   A CE2 1 ? 
ATOM   366  C  CZ  . PHE   A 1 45  ? -16.287 -2.707  7.023   1.000 9.012  0 157 PHE   A CZ  1 ? 
ATOM   367  N  N   . HIS   A 1 46  ? -15.870 -0.644  2.042   1.000 9.419  0 158 HIS   A N   1 ? 
ATOM   368  C  CA  . HIS   A 1 46  ? -15.312 0.670   2.318   1.000 9.351  0 158 HIS   A CA  1 ? 
ATOM   369  C  C   . HIS   A 1 46  ? -15.772 1.081   3.714   1.000 9.192  0 158 HIS   A C   1 ? 
ATOM   370  O  O   . HIS   A 1 46  ? -16.969 1.141   3.970   1.000 8.947  0 158 HIS   A O   1 ? 
ATOM   371  C  CB  . HIS   A 1 46  ? -15.782 1.653   1.238   1.000 9.723  0 158 HIS   A CB  1 ? 
ATOM   372  C  CG  . HIS   A 1 46  ? -15.421 3.092   1.432   1.000 10.053 0 158 HIS   A CG  1 ? 
ATOM   373  N  ND1 . HIS   A 1 46  ? -14.213 3.627   1.037   1.000 10.314 0 158 HIS   A ND1 1 ? 
ATOM   374  C  CD2 . HIS   A 1 46  ? -16.129 4.112   1.933   1.000 10.068 0 158 HIS   A CD2 1 ? 
ATOM   375  C  CE1 . HIS   A 1 46  ? -14.199 4.930   1.303   1.000 10.401 0 158 HIS   A CE1 1 ? 
ATOM   376  N  NE2 . HIS   A 1 46  ? -15.354 5.244   1.846   1.000 10.297 0 158 HIS   A NE2 1 ? 
ATOM   377  N  N   . PHE   A 1 47  ? -14.810 1.324   4.612   1.000 9.222  0 159 PHE   A N   1 ? 
ATOM   378  C  CA  . PHE   A 1 47  ? -15.071 1.745   5.980   1.000 9.383  0 159 PHE   A CA  1 ? 
ATOM   379  C  C   . PHE   A 1 47  ? -14.517 3.157   6.146   1.000 9.332  0 159 PHE   A C   1 ? 
ATOM   380  O  O   . PHE   A 1 47  ? -13.312 3.362   6.024   1.000 9.069  0 159 PHE   A O   1 ? 
ATOM   381  C  CB  . PHE   A 1 47  ? -14.379 0.749   6.918   1.000 9.432  0 159 PHE   A CB  1 ? 
ATOM   382  C  CG  . PHE   A 1 47  ? -14.335 1.107   8.398   1.000 9.554  0 159 PHE   A CG  1 ? 
ATOM   383  C  CD1 . PHE   A 1 47  ? -15.392 0.782   9.246   1.000 9.778  0 159 PHE   A CD1 1 ? 
ATOM   384  C  CD2 . PHE   A 1 47  ? -13.227 1.753   8.944   1.000 9.642  0 159 PHE   A CD2 1 ? 
ATOM   385  C  CE1 . PHE   A 1 47  ? -15.345 1.103   10.598  1.000 9.941  0 159 PHE   A CE1 1 ? 
ATOM   386  C  CE2 . PHE   A 1 47  ? -13.188 2.077   10.294  1.000 9.681  0 159 PHE   A CE2 1 ? 
ATOM   387  C  CZ  . PHE   A 1 47  ? -14.240 1.742   11.121  1.000 9.922  0 159 PHE   A CZ  1 ? 
ATOM   388  N  N   . ASN   A 1 48  ? -15.400 4.116   6.439   1.000 9.678  0 160 ASN   A N   1 ? 
ATOM   389  C  CA  . ASN   A 1 48  ? -15.070 5.520   6.244   1.000 9.942  0 160 ASN   A CA  1 ? 
ATOM   390  C  C   . ASN   A 1 48  ? -15.547 6.359   7.430   1.000 10.216 0 160 ASN   A C   1 ? 
ATOM   391  O  O   . ASN   A 1 48  ? -16.634 6.935   7.385   1.000 10.031 0 160 ASN   A O   1 ? 
ATOM   392  C  CB  . ASN   A 1 48  ? -15.560 5.987   4.875   1.000 10.401 0 160 ASN   A CB  1 ? 
ATOM   393  C  CG  . ASN   A 1 48  ? -15.407 7.470   4.620   1.000 10.541 0 160 ASN   A CG  1 ? 
ATOM   394  O  OD1 . ASN   A 1 48  ? -16.318 8.088   4.062   1.000 11.174 0 160 ASN   A OD1 1 ? 
ATOM   395  N  ND2 . ASN   A 1 48  ? -14.262 8.047   4.955   1.000 10.950 0 160 ASN   A ND2 1 ? 
ATOM   396  N  N   . PRO   A 1 49  ? -14.759 6.441   8.532   1.000 10.105 0 161 PRO   A N   1 ? 
ATOM   397  C  CA  . PRO   A 1 49  ? -15.033 7.403   9.604   1.000 10.280 0 161 PRO   A CA  1 ? 
ATOM   398  C  C   . PRO   A 1 49  ? -14.915 8.836   9.088   1.000 10.924 0 161 PRO   A C   1 ? 
ATOM   399  O  O   . PRO   A 1 49  ? -13.916 9.194   8.467   1.000 10.960 0 161 PRO   A O   1 ? 
ATOM   400  C  CB  . PRO   A 1 49  ? -13.966 7.080   10.672  1.000 10.308 0 161 PRO   A CB  1 ? 
ATOM   401  C  CG  . PRO   A 1 49  ? -13.515 5.677   10.346  1.000 10.375 0 161 PRO   A CG  1 ? 
ATOM   402  C  CD  . PRO   A 1 49  ? -13.611 5.569   8.832   1.000 10.234 0 161 PRO   A CD  1 ? 
ATOM   403  N  N   . ARG   A 1 50  ? -15.952 9.641   9.353   1.000 11.430 0 162 ARG   A N   1 ? 
ATOM   404  C  CA  . ARG   A 1 50  ? -16.004 11.041  8.961   1.000 12.382 0 162 ARG   A CA  1 ? 
ATOM   405  C  C   . ARG   A 1 50  ? -16.166 11.894  10.216  1.000 13.049 0 162 ARG   A C   1 ? 
ATOM   406  O  O   . ARG   A 1 50  ? -17.141 11.744  10.949  1.000 13.370 0 162 ARG   A O   1 ? 
ATOM   407  C  CB  . ARG   A 1 50  ? -17.150 11.285  7.968   1.000 12.283 0 162 ARG   A CB  1 ? 
ATOM   408  C  CG  . ARG   A 1 50  ? -17.019 10.555  6.638   1.000 11.963 0 162 ARG   A CG  1 ? 
ATOM   409  C  CD  . ARG   A 1 50  ? -18.242 10.746  5.754   1.000 12.240 0 162 ARG   A CD  1 ? 
ATOM   410  N  NE  . ARG   A 1 50  ? -18.190 9.942   4.526   1.000 12.020 0 162 ARG   A NE  1 ? 
ATOM   411  C  CZ  . ARG   A 1 50  ? -19.113 9.916   3.563   1.000 11.994 0 162 ARG   A CZ  1 ? 
ATOM   412  N  NH1 . ARG   A 1 50  ? -20.211 10.656  3.647   1.000 11.815 0 162 ARG   A NH1 1 ? 
ATOM   413  N  NH2 . ARG   A 1 50  ? -18.932 9.143   2.506   1.000 11.967 0 162 ARG   A NH2 1 ? 
ATOM   414  N  N   . PHE   A 1 51  ? -15.206 12.800  10.437  1.000 14.231 0 163 PHE   A N   1 ? 
ATOM   415  C  CA  . PHE   A 1 51  ? -15.126 13.584  11.660  1.000 15.486 0 163 PHE   A CA  1 ? 
ATOM   416  C  C   . PHE   A 1 51  ? -16.048 14.800  11.606  1.000 16.537 0 163 PHE   A C   1 ? 
ATOM   417  O  O   . PHE   A 1 51  ? -16.403 15.331  12.654  1.000 16.890 0 163 PHE   A O   1 ? 
ATOM   418  C  CB  . PHE   A 1 51  ? -13.675 13.977  11.957  1.000 15.926 0 163 PHE   A CB  1 ? 
ATOM   419  C  CG  . PHE   A 1 51  ? -12.797 12.832  12.442  1.000 15.984 0 163 PHE   A CG  1 ? 
ATOM   420  C  CD1 . PHE   A 1 51  ? -12.276 11.902  11.544  1.000 16.029 0 163 PHE   A CD1 1 ? 
ATOM   421  C  CD2 . PHE   A 1 51  ? -12.494 12.685  13.793  1.000 16.261 0 163 PHE   A CD2 1 ? 
ATOM   422  C  CE1 . PHE   A 1 51  ? -11.481 10.856  11.986  1.000 16.268 0 163 PHE   A CE1 1 ? 
ATOM   423  C  CE2 . PHE   A 1 51  ? -11.693 11.638  14.230  1.000 16.055 0 163 PHE   A CE2 1 ? 
ATOM   424  C  CZ  . PHE   A 1 51  ? -11.193 10.726  13.326  1.000 16.266 0 163 PHE   A CZ  1 ? 
ATOM   425  N  N   . ASN   A 1 52  ? -16.427 15.237  10.398  1.000 17.695 0 164 ASN   A N   1 ? 
ATOM   426  C  CA  . ASN   A 1 52  ? -17.160 16.485  10.240  1.000 19.056 0 164 ASN   A CA  1 ? 
ATOM   427  C  C   . ASN   A 1 52  ? -18.097 16.404  9.037   1.000 19.214 0 164 ASN   A C   1 ? 
ATOM   428  O  O   . ASN   A 1 52  ? -17.976 17.198  8.106   1.000 19.741 0 164 ASN   A O   1 ? 
ATOM   429  C  CB  . ASN   A 1 52  ? -16.223 17.681  10.077  1.000 21.022 0 164 ASN   A CB  1 ? 
ATOM   430  C  CG  . ASN   A 1 52  ? -15.385 17.967  11.302  1.000 23.101 0 164 ASN   A CG  1 ? 
ATOM   431  O  OD1 . ASN   A 1 52  ? -14.162 17.795  11.268  1.000 24.766 0 164 ASN   A OD1 1 ? 
ATOM   432  N  ND2 . ASN   A 1 52  ? -16.013 18.401  12.386  1.000 23.931 0 164 ASN   A ND2 1 ? 
ATOM   433  N  N   . GLU   A 1 53  ? -19.031 15.446  9.063   1.000 18.459 0 165 GLU   A N   1 ? 
ATOM   434  C  CA  . GLU   A 1 53  ? -20.087 15.401  8.063   1.000 19.029 0 165 GLU   A CA  1 ? 
ATOM   435  C  C   . GLU   A 1 53  ? -21.315 16.105  8.634   1.000 19.400 0 165 GLU   A C   1 ? 
ATOM   436  O  O   . GLU   A 1 53  ? -21.959 15.582  9.543   1.000 19.228 0 165 GLU   A O   1 ? 
ATOM   437  C  CB  . GLU   A 1 53  ? -20.425 13.974  7.632   1.000 18.961 0 165 GLU   A CB  1 ? 
ATOM   438  C  CG  . GLU   A 1 53  ? -21.423 13.920  6.479   1.000 18.899 0 165 GLU   A CG  1 ? 
ATOM   439  C  CD  . GLU   A 1 53  ? -22.121 12.581  6.339   1.000 19.330 0 165 GLU   A CD  1 ? 
ATOM   440  O  OE1 . GLU   A 1 53  ? -22.834 12.184  7.285   1.000 18.828 0 165 GLU   A OE1 1 ? 
ATOM   441  O  OE2 . GLU   A 1 53  ? -21.950 11.932  5.288   1.000 19.519 0 165 GLU   A OE2 1 ? 
ATOM   442  N  N   A ASN   A 1 54  ? -21.611 17.295  8.094   0.500 19.837 0 166 ASN   A N   1 ? 
ATOM   443  N  N   B ASN   A 1 54  ? -21.627 17.282  8.075   0.500 19.656 0 166 ASN   A N   1 ? 
ATOM   444  C  CA  A ASN   A 1 54  ? -22.701 18.135  8.570   0.500 20.385 0 166 ASN   A CA  1 ? 
ATOM   445  C  CA  B ASN   A 1 54  ? -22.691 18.149  8.563   0.500 20.032 0 166 ASN   A CA  1 ? 
ATOM   446  C  C   A ASN   A 1 54  ? -22.491 18.438  10.053  0.500 20.114 0 166 ASN   A C   1 ? 
ATOM   447  C  C   B ASN   A 1 54  ? -22.487 18.424  10.052  0.500 19.907 0 166 ASN   A C   1 ? 
ATOM   448  O  O   A ASN   A 1 54  ? -23.446 18.435  10.828  0.500 20.383 0 166 ASN   A O   1 ? 
ATOM   449  O  O   B ASN   A 1 54  ? -23.440 18.389  10.828  0.500 20.174 0 166 ASN   A O   1 ? 
ATOM   450  C  CB  A ASN   A 1 54  ? -24.064 17.513  8.275   0.500 21.098 0 166 ASN   A CB  1 ? 
ATOM   451  C  CB  B ASN   A 1 54  ? -24.081 17.598  8.254   0.500 20.385 0 166 ASN   A CB  1 ? 
ATOM   452  C  CG  A ASN   A 1 54  ? -25.212 18.404  8.685   0.500 21.769 0 166 ASN   A CG  1 ? 
ATOM   453  C  CG  B ASN   A 1 54  ? -24.402 17.623  6.779   0.500 20.684 0 166 ASN   A CG  1 ? 
ATOM   454  O  OD1 A ASN   A 1 54  ? -26.364 17.956  8.721   0.500 22.577 0 166 ASN   A OD1 1 ? 
ATOM   455  O  OD1 B ASN   A 1 54  ? -24.349 18.684  6.147   0.500 21.121 0 166 ASN   A OD1 1 ? 
ATOM   456  N  ND2 A ASN   A 1 54  ? -24.924 19.656  9.009   0.500 22.006 0 166 ASN   A ND2 1 ? 
ATOM   457  N  ND2 B ASN   A 1 54  ? -24.738 16.474  6.212   0.500 21.046 0 166 ASN   A ND2 1 ? 
ATOM   458  N  N   . ASN   A 1 55  ? -21.227 18.684  10.426  1.000 20.074 0 167 ASN   A N   1 ? 
ATOM   459  C  CA  . ASN   A 1 55  ? -20.826 19.008  11.791  1.000 19.926 0 167 ASN   A CA  1 ? 
ATOM   460  C  C   . ASN   A 1 55  ? -21.129 17.862  12.755  1.000 20.125 0 167 ASN   A C   1 ? 
ATOM   461  O  O   . ASN   A 1 55  ? -21.334 18.092  13.945  1.000 20.765 0 167 ASN   A O   1 ? 
ATOM   462  C  CB  . ASN   A 1 55  ? -21.374 20.359  12.247  1.000 19.879 0 167 ASN   A CB  1 ? 
ATOM   463  C  CG  . ASN   A 1 55  ? -20.820 21.496  11.424  1.000 19.763 0 167 ASN   A CG  1 ? 
ATOM   464  O  OD1 . ASN   A 1 55  ? -21.562 22.120  10.658  1.000 20.802 0 167 ASN   A OD1 1 ? 
ATOM   465  N  ND2 . ASN   A 1 55  ? -19.528 21.763  11.545  1.000 18.935 0 167 ASN   A ND2 1 ? 
ATOM   466  N  N   A ARG   A 1 56  ? -21.154 16.632  12.226  0.500 19.838 0 168 ARG   A N   1 ? 
ATOM   467  N  N   B ARG   A 1 56  ? -21.153 16.632  12.226  0.500 20.048 0 168 ARG   A N   1 ? 
ATOM   468  C  CA  A ARG   A 1 56  ? -21.388 15.442  13.028  0.500 19.493 0 168 ARG   A CA  1 ? 
ATOM   469  C  CA  B ARG   A 1 56  ? -21.403 15.436  13.016  0.500 19.851 0 168 ARG   A CA  1 ? 
ATOM   470  C  C   A ARG   A 1 56  ? -20.287 14.430  12.730  0.500 18.792 0 168 ARG   A C   1 ? 
ATOM   471  C  C   B ARG   A 1 56  ? -20.303 14.420  12.721  0.500 18.993 0 168 ARG   A C   1 ? 
ATOM   472  O  O   A ARG   A 1 56  ? -19.613 14.529  11.708  0.500 18.569 0 168 ARG   A O   1 ? 
ATOM   473  O  O   B ARG   A 1 56  ? -19.641 14.509  11.690  0.500 18.765 0 168 ARG   A O   1 ? 
ATOM   474  C  CB  A ARG   A 1 56  ? -22.769 14.845  12.734  0.500 19.920 0 168 ARG   A CB  1 ? 
ATOM   475  C  CB  B ARG   A 1 56  ? -22.787 14.859  12.690  0.500 20.657 0 168 ARG   A CB  1 ? 
ATOM   476  C  CG  A ARG   A 1 56  ? -23.918 15.837  12.854  0.500 20.873 0 168 ARG   A CG  1 ? 
ATOM   477  C  CG  B ARG   A 1 56  ? -23.964 15.798  12.924  0.500 22.065 0 168 ARG   A CG  1 ? 
ATOM   478  C  CD  A ARG   A 1 56  ? -25.272 15.177  12.660  0.500 21.225 0 168 ARG   A CD  1 ? 
ATOM   479  C  CD  B ARG   A 1 56  ? -25.271 15.216  12.403  0.500 22.908 0 168 ARG   A CD  1 ? 
ATOM   480  N  NE  A ARG   A 1 56  ? -26.369 16.153  12.672  0.500 21.769 0 168 ARG   A NE  1 ? 
ATOM   481  N  NE  B ARG   A 1 56  ? -26.459 16.024  12.707  0.500 23.924 0 168 ARG   A NE  1 ? 
ATOM   482  C  CZ  A ARG   A 1 56  ? -27.656 15.837  12.707  0.500 21.804 0 168 ARG   A CZ  1 ? 
ATOM   483  C  CZ  B ARG   A 1 56  ? -26.713 17.240  12.235  0.500 24.446 0 168 ARG   A CZ  1 ? 
ATOM   484  N  NH1 A ARG   A 1 56  ? -28.571 16.790  12.697  0.500 22.196 0 168 ARG   A NH1 1 ? 
ATOM   485  N  NH1 B ARG   A 1 56  ? -27.824 17.865  12.581  0.500 24.787 0 168 ARG   A NH1 1 ? 
ATOM   486  N  NH2 A ARG   A 1 56  ? -28.023 14.569  12.752  0.500 21.814 0 168 ARG   A NH2 1 ? 
ATOM   487  N  NH2 B ARG   A 1 56  ? -25.861 17.826  11.414  0.500 24.873 0 168 ARG   A NH2 1 ? 
ATOM   488  N  N   . ARG   A 1 57  ? -20.108 13.469  13.643  1.000 18.394 0 169 ARG   A N   1 ? 
ATOM   489  C  CA  . ARG   A 1 57  ? -19.150 12.391  13.453  1.000 17.704 0 169 ARG   A CA  1 ? 
ATOM   490  C  C   . ARG   A 1 57  ? -19.928 11.107  13.187  1.000 16.519 0 169 ARG   A C   1 ? 
ATOM   491  O  O   . ARG   A 1 57  ? -20.832 10.765  13.947  1.000 17.250 0 169 ARG   A O   1 ? 
ATOM   492  C  CB  . ARG   A 1 57  ? -18.206 12.228  14.650  1.000 18.365 0 169 ARG   A CB  1 ? 
ATOM   493  C  CG  . ARG   A 1 57  ? -17.598 13.544  15.117  1.000 18.887 0 169 ARG   A CG  1 ? 
ATOM   494  C  CD  . ARG   A 1 57  ? -16.358 13.358  15.971  1.000 19.922 0 169 ARG   A CD  1 ? 
ATOM   495  N  NE  . ARG   A 1 57  ? -16.594 12.545  17.169  1.000 20.128 0 169 ARG   A NE  1 ? 
ATOM   496  C  CZ  . ARG   A 1 57  ? -15.636 12.141  17.998  1.000 20.954 0 169 ARG   A CZ  1 ? 
ATOM   497  N  NH1 . ARG   A 1 57  ? -15.931 11.336  19.002  1.000 20.656 0 169 ARG   A NH1 1 ? 
ATOM   498  N  NH2 . ARG   A 1 57  ? -14.383 12.514  17.801  1.000 21.689 0 169 ARG   A NH2 1 ? 
ATOM   499  N  N   . VAL   A 1 58  ? -19.569 10.416  12.099  1.000 14.781 0 170 VAL   A N   1 ? 
ATOM   500  C  CA  . VAL   A 1 58  ? -20.327 9.267   11.633  1.000 13.899 0 170 VAL   A CA  1 ? 
ATOM   501  C  C   . VAL   A 1 58  ? -19.374 8.284   10.956  1.000 12.956 0 170 VAL   A C   1 ? 
ATOM   502  O  O   . VAL   A 1 58  ? -18.401 8.692   10.327  1.000 12.902 0 170 VAL   A O   1 ? 
ATOM   503  C  CB  . VAL   A 1 58  ? -21.445 9.729   10.674  1.000 14.155 0 170 VAL   A CB  1 ? 
ATOM   504  C  CG1 . VAL   A 1 58  ? -20.895 10.356  9.396   1.000 13.932 0 170 VAL   A CG1 1 ? 
ATOM   505  C  CG2 . VAL   A 1 58  ? -22.431 8.611   10.344  1.000 14.353 0 170 VAL   A CG2 1 ? 
ATOM   506  N  N   . ILE   A 1 59  ? -19.668 6.987   11.097  1.000 12.584 0 171 ILE   A N   1 ? 
ATOM   507  C  CA  . ILE   A 1 59  ? -19.005 5.967   10.300  1.000 12.323 0 171 ILE   A CA  1 ? 
ATOM   508  C  C   . ILE   A 1 59  ? -19.890 5.657   9.096   1.000 11.755 0 171 ILE   A C   1 ? 
ATOM   509  O  O   . ILE   A 1 59  ? -21.070 5.340   9.257   1.000 12.035 0 171 ILE   A O   1 ? 
ATOM   510  C  CB  . ILE   A 1 59  ? -18.744 4.681   11.108  1.000 12.807 0 171 ILE   A CB  1 ? 
ATOM   511  C  CG1 . ILE   A 1 59  ? -18.234 4.940   12.541  1.000 13.414 0 171 ILE   A CG1 1 ? 
ATOM   512  C  CG2 . ILE   A 1 59  ? -17.839 3.727   10.322  1.000 12.963 0 171 ILE   A CG2 1 ? 
ATOM   513  C  CD1 . ILE   A 1 59  ? -16.781 5.362   12.647  1.000 13.462 0 171 ILE   A CD1 1 ? 
ATOM   514  N  N   . VAL   A 1 60  ? -19.298 5.719   7.898   1.000 11.067 0 172 VAL   A N   1 ? 
ATOM   515  C  CA  . VAL   A 1 60  ? -20.007 5.352   6.682   1.000 10.887 0 172 VAL   A CA  1 ? 
ATOM   516  C  C   . VAL   A 1 60  ? -19.360 4.105   6.083   1.000 10.957 0 172 VAL   A C   1 ? 
ATOM   517  O  O   . VAL   A 1 60  ? -18.147 4.069   5.879   1.000 11.056 0 172 VAL   A O   1 ? 
ATOM   518  C  CB  . VAL   A 1 60  ? -20.040 6.520   5.679   1.000 10.884 0 172 VAL   A CB  1 ? 
ATOM   519  C  CG1 . VAL   A 1 60  ? -20.716 6.128   4.369   1.000 10.969 0 172 VAL   A CG1 1 ? 
ATOM   520  C  CG2 . VAL   A 1 60  ? -20.714 7.747   6.286   1.000 10.781 0 172 VAL   A CG2 1 ? 
ATOM   521  N  N   . CYS   A 1 61  ? -20.184 3.088   5.809   1.000 10.751 0 173 CYS   A N   1 ? 
ATOM   522  C  CA  . CYS   A 1 61  ? -19.725 1.873   5.151   1.000 11.122 0 173 CYS   A CA  1 ? 
ATOM   523  C  C   . CYS   A 1 61  ? -20.488 1.677   3.843   1.000 11.019 0 173 CYS   A C   1 ? 
ATOM   524  O  O   . CYS   A 1 61  ? -21.681 1.955   3.772   1.000 11.209 0 173 CYS   A O   1 ? 
ATOM   525  C  CB  . CYS   A 1 61  ? -19.893 0.652   6.047   1.000 11.684 0 173 CYS   A CB  1 ? 
ATOM   526  S  SG  . CYS   A 1 61  ? -18.910 0.723   7.568   1.000 13.264 0 173 CYS   A SG  1 ? 
ATOM   527  N  N   . ASN   A 1 62  ? -19.788 1.202   2.806   1.000 10.709 0 174 ASN   A N   1 ? 
ATOM   528  C  CA  . ASN   A 1 62  ? -20.413 1.009   1.506   1.000 10.862 0 174 ASN   A CA  1 ? 
ATOM   529  C  C   . ASN   A 1 62  ? -19.595 0.027   0.669   1.000 10.700 0 174 ASN   A C   1 ? 
ATOM   530  O  O   . ASN   A 1 62  ? -18.518 -0.398  1.078   1.000 10.313 0 174 ASN   A O   1 ? 
ATOM   531  C  CB  . ASN   A 1 62  ? -20.612 2.335   0.778   1.000 11.262 0 174 ASN   A CB  1 ? 
ATOM   532  C  CG  . ASN   A 1 62  ? -21.776 2.318   -0.187  1.000 11.621 0 174 ASN   A CG  1 ? 
ATOM   533  O  OD1 . ASN   A 1 62  ? -22.366 1.264   -0.455  1.000 11.751 0 174 ASN   A OD1 1 ? 
ATOM   534  N  ND2 . ASN   A 1 62  ? -22.119 3.479   -0.725  1.000 11.786 0 174 ASN   A ND2 1 ? 
ATOM   535  N  N   . THR   A 1 63  ? -20.163 -0.328  -0.491  1.000 10.457 0 175 THR   A N   1 ? 
ATOM   536  C  CA  . THR   A 1 63  ? -19.568 -1.180  -1.507  1.000 10.515 0 175 THR   A CA  1 ? 
ATOM   537  C  C   . THR   A 1 63  ? -19.618 -0.417  -2.831  1.000 10.712 0 175 THR   A C   1 ? 
ATOM   538  O  O   . THR   A 1 63  ? -20.590 0.279   -3.110  1.000 10.928 0 175 THR   A O   1 ? 
ATOM   539  C  CB  . THR   A 1 63  ? -20.359 -2.492  -1.568  1.000 10.240 0 175 THR   A CB  1 ? 
ATOM   540  O  OG1 . THR   A 1 63  ? -20.063 -3.187  -0.361  1.000 9.872  0 175 THR   A OG1 1 ? 
ATOM   541  C  CG2 . THR   A 1 63  ? -19.980 -3.375  -2.745  1.000 9.939  0 175 THR   A CG2 1 ? 
ATOM   542  N  N   . LYS   A 1 64  ? -18.551 -0.529  -3.629  1.000 10.785 0 176 LYS   A N   1 ? 
ATOM   543  C  CA  . LYS   A 1 64  ? -18.512 0.103   -4.938  1.000 11.536 0 176 LYS   A CA  1 ? 
ATOM   544  C  C   . LYS   A 1 64  ? -18.439 -0.992  -5.998  1.000 11.708 0 176 LYS   A C   1 ? 
ATOM   545  O  O   . LYS   A 1 64  ? -17.513 -1.799  -5.983  1.000 11.235 0 176 LYS   A O   1 ? 
ATOM   546  C  CB  . LYS   A 1 64  ? -17.321 1.066   -5.019  1.000 12.015 0 176 LYS   A CB  1 ? 
ATOM   547  C  CG  . LYS   A 1 64  ? -17.303 2.029   -6.203  1.000 12.795 0 176 LYS   A CG  1 ? 
ATOM   548  C  CD  . LYS   A 1 64  ? -15.975 2.775   -6.298  1.000 13.705 0 176 LYS   A CD  1 ? 
ATOM   549  C  CE  . LYS   A 1 64  ? -15.985 3.887   -7.296  1.000 15.131 0 176 LYS   A CE  1 ? 
ATOM   550  N  NZ  . LYS   A 1 64  ? -14.633 4.416   -7.508  1.000 16.349 0 176 LYS   A NZ  1 ? 
ATOM   551  N  N   . LEU   A 1 65  ? -19.439 -1.014  -6.889  1.000 11.980 0 177 LEU   A N   1 ? 
ATOM   552  C  CA  . LEU   A 1 65  ? -19.556 -2.007  -7.948  1.000 13.032 0 177 LEU   A CA  1 ? 
ATOM   553  C  C   . LEU   A 1 65  ? -19.673 -1.295  -9.293  1.000 13.942 0 177 LEU   A C   1 ? 
ATOM   554  O  O   . LEU   A 1 65  ? -20.511 -0.406  -9.452  1.000 14.116 0 177 LEU   A O   1 ? 
ATOM   555  C  CB  . LEU   A 1 65  ? -20.780 -2.887  -7.690  1.000 13.008 0 177 LEU   A CB  1 ? 
ATOM   556  C  CG  . LEU   A 1 65  ? -20.787 -3.687  -6.382  1.000 13.465 0 177 LEU   A CG  1 ? 
ATOM   557  C  CD1 . LEU   A 1 65  ? -22.111 -4.413  -6.184  1.000 13.743 0 177 LEU   A CD1 1 ? 
ATOM   558  C  CD2 . LEU   A 1 65  ? -19.623 -4.668  -6.317  1.000 13.408 0 177 LEU   A CD2 1 ? 
ATOM   559  N  N   . ASP   A 1 66  ? -18.813 -1.687  -10.245 1.000 15.123 0 178 ASP   A N   1 ? 
ATOM   560  C  CA  . ASP   A 1 66  ? -18.802 -1.115  -11.584 1.000 16.452 0 178 ASP   A CA  1 ? 
ATOM   561  C  C   . ASP   A 1 66  ? -18.694 0.408   -11.497 1.000 16.140 0 178 ASP   A C   1 ? 
ATOM   562  O  O   . ASP   A 1 66  ? -19.297 1.127   -12.292 1.000 16.111 0 178 ASP   A O   1 ? 
ATOM   563  C  CB  . ASP   A 1 66  ? -19.988 -1.601  -12.406 1.000 18.636 0 178 ASP   A CB  1 ? 
ATOM   564  C  CG  . ASP   A 1 66  ? -20.006 -3.087  -12.743 1.000 20.808 0 178 ASP   A CG  1 ? 
ATOM   565  O  OD1 . ASP   A 1 66  ? -18.966 -3.755  -12.552 1.000 22.145 0 178 ASP   A OD1 1 ? 
ATOM   566  O  OD2 . ASP   A 1 66  ? -21.069 -3.571  -13.181 1.000 23.298 0 178 ASP   A OD2 1 ? 
ATOM   567  N  N   . ASN   A 1 67  ? -17.944 0.878   -10.493 1.000 16.162 0 179 ASN   A N   1 ? 
ATOM   568  C  CA  . ASN   A 1 67  ? -17.562 2.272   -10.324 1.000 16.704 0 179 ASN   A CA  1 ? 
ATOM   569  C  C   . ASN   A 1 67  ? -18.703 3.091   -9.715  1.000 17.055 0 179 ASN   A C   1 ? 
ATOM   570  O  O   . ASN   A 1 67  ? -18.639 4.318   -9.706  1.000 17.903 0 179 ASN   A O   1 ? 
ATOM   571  C  CB  . ASN   A 1 67  ? -16.962 2.849   -11.605 1.000 17.224 0 179 ASN   A CB  1 ? 
ATOM   572  C  CG  . ASN   A 1 67  ? -15.766 3.728   -11.331 1.000 17.685 0 179 ASN   A CG  1 ? 
ATOM   573  O  OD1 . ASN   A 1 67  ? -14.847 3.321   -10.609 1.000 18.016 0 179 ASN   A OD1 1 ? 
ATOM   574  N  ND2 . ASN   A 1 67  ? -15.748 4.925   -11.900 1.000 18.087 0 179 ASN   A ND2 1 ? 
ATOM   575  N  N   . ASN   A 1 68  ? -19.732 2.413   -9.188  1.000 16.954 0 180 ASN   A N   1 ? 
ATOM   576  C  CA  . ASN   A 1 68  ? -20.864 3.084   -8.562  1.000 16.956 0 180 ASN   A CA  1 ? 
ATOM   577  C  C   . ASN   A 1 68  ? -20.988 2.666   -7.098  1.000 15.547 0 180 ASN   A C   1 ? 
ATOM   578  O  O   . ASN   A 1 68  ? -20.978 1.477   -6.785  1.000 15.495 0 180 ASN   A O   1 ? 
ATOM   579  C  CB  . ASN   A 1 68  ? -22.186 2.775   -9.257  1.000 18.622 0 180 ASN   A CB  1 ? 
ATOM   580  C  CG  . ASN   A 1 68  ? -22.155 3.034   -10.744 1.000 20.408 0 180 ASN   A CG  1 ? 
ATOM   581  O  OD1 . ASN   A 1 68  ? -22.466 2.132   -11.529 1.000 22.337 0 180 ASN   A OD1 1 ? 
ATOM   582  N  ND2 . ASN   A 1 68  ? -21.804 4.246   -11.149 1.000 20.917 0 180 ASN   A ND2 1 ? 
ATOM   583  N  N   . TRP   A 1 69  ? -21.143 3.663   -6.217  1.000 14.423 0 181 TRP   A N   1 ? 
ATOM   584  C  CA  . TRP   A 1 69  ? -21.386 3.432   -4.799  1.000 13.986 0 181 TRP   A CA  1 ? 
ATOM   585  C  C   . TRP   A 1 69  ? -22.827 2.984   -4.573  1.000 13.688 0 181 TRP   A C   1 ? 
ATOM   586  O  O   . TRP   A 1 69  ? -23.755 3.541   -5.157  1.000 14.524 0 181 TRP   A O   1 ? 
ATOM   587  C  CB  . TRP   A 1 69  ? -21.076 4.694   -3.984  1.000 13.643 0 181 TRP   A CB  1 ? 
ATOM   588  C  CG  . TRP   A 1 69  ? -19.608 5.014   -3.895  1.000 13.193 0 181 TRP   A CG  1 ? 
ATOM   589  C  CD1 . TRP   A 1 69  ? -18.942 6.025   -4.526  1.000 13.190 0 181 TRP   A CD1 1 ? 
ATOM   590  C  CD2 . TRP   A 1 69  ? -18.612 4.284   -3.147  1.000 12.963 0 181 TRP   A CD2 1 ? 
ATOM   591  N  NE1 . TRP   A 1 69  ? -17.612 5.996   -4.200  1.000 13.077 0 181 TRP   A NE1 1 ? 
ATOM   592  C  CE2 . TRP   A 1 69  ? -17.378 4.934   -3.364  1.000 13.008 0 181 TRP   A CE2 1 ? 
ATOM   593  C  CE3 . TRP   A 1 69  ? -18.646 3.157   -2.316  1.000 12.862 0 181 TRP   A CE3 1 ? 
ATOM   594  C  CZ2 . TRP   A 1 69  ? -16.193 4.488   -2.780  1.000 12.960 0 181 TRP   A CZ2 1 ? 
ATOM   595  C  CZ3 . TRP   A 1 69  ? -17.471 2.714   -1.746  1.000 12.680 0 181 TRP   A CZ3 1 ? 
ATOM   596  C  CH2 . TRP   A 1 69  ? -16.262 3.368   -1.981  1.000 12.934 0 181 TRP   A CH2 1 ? 
ATOM   597  N  N   . GLY   A 1 70  ? -22.990 1.972   -3.715  1.000 13.172 0 182 GLY   A N   1 ? 
ATOM   598  C  CA  . GLY   A 1 70  ? -24.292 1.401   -3.415  1.000 12.781 0 182 GLY   A CA  1 ? 
ATOM   599  C  C   . GLY   A 1 70  ? -24.899 2.038   -2.168  1.000 12.617 0 182 GLY   A C   1 ? 
ATOM   600  O  O   . GLY   A 1 70  ? -24.652 3.206   -1.880  1.000 12.713 0 182 GLY   A O   1 ? 
ATOM   601  N  N   . ARG   A 1 71  ? -25.678 1.238   -1.436  1.000 12.920 0 183 ARG   A N   1 ? 
ATOM   602  C  CA  . ARG   A 1 71  ? -26.411 1.673   -0.258  1.000 13.664 0 183 ARG   A CA  1 ? 
ATOM   603  C  C   . ARG   A 1 71  ? -25.457 1.834   0.922   1.000 13.296 0 183 ARG   A C   1 ? 
ATOM   604  O  O   . ARG   A 1 71  ? -24.778 0.885   1.309   1.000 13.402 0 183 ARG   A O   1 ? 
ATOM   605  C  CB  . ARG   A 1 71  ? -27.465 0.600   0.040   1.000 14.493 0 183 ARG   A CB  1 ? 
ATOM   606  C  CG  . ARG   A 1 71  ? -28.110 0.615   1.418   1.000 15.870 0 183 ARG   A CG  1 ? 
ATOM   607  C  CD  . ARG   A 1 71  ? -28.934 1.860   1.677   1.000 16.501 0 183 ARG   A CD  1 ? 
ATOM   608  N  NE  . ARG   A 1 71  ? -30.126 1.992   0.829   1.000 17.202 0 183 ARG   A NE  1 ? 
ATOM   609  C  CZ  . ARG   A 1 71  ? -31.001 2.979   0.977   1.000 16.952 0 183 ARG   A CZ  1 ? 
ATOM   610  N  NH1 . ARG   A 1 71  ? -32.041 3.076   0.169   1.000 16.403 0 183 ARG   A NH1 1 ? 
ATOM   611  N  NH2 . ARG   A 1 71  ? -30.820 3.871   1.935   1.000 17.278 0 183 ARG   A NH2 1 ? 
ATOM   612  N  N   . GLU   A 1 72  ? -25.442 3.039   1.506   1.000 13.211 0 184 GLU   A N   1 ? 
ATOM   613  C  CA  . GLU   A 1 72  ? -24.605 3.324   2.661   1.000 13.572 0 184 GLU   A CA  1 ? 
ATOM   614  C  C   . GLU   A 1 72  ? -25.219 2.720   3.922   1.000 13.784 0 184 GLU   A C   1 ? 
ATOM   615  O  O   . GLU   A 1 72  ? -26.429 2.795   4.133   1.000 13.478 0 184 GLU   A O   1 ? 
ATOM   616  C  CB  . GLU   A 1 72  ? -24.429 4.829   2.857   1.000 13.775 0 184 GLU   A CB  1 ? 
ATOM   617  C  CG  . GLU   A 1 72  ? -23.571 5.484   1.782   1.000 14.582 0 184 GLU   A CG  1 ? 
ATOM   618  C  CD  . GLU   A 1 72  ? -23.331 6.966   2.000   1.000 15.150 0 184 GLU   A CD  1 ? 
ATOM   619  O  OE1 . GLU   A 1 72  ? -24.069 7.593   2.794   1.000 16.312 0 184 GLU   A OE1 1 ? 
ATOM   620  O  OE2 . GLU   A 1 72  ? -22.373 7.493   1.394   1.000 15.227 0 184 GLU   A OE2 1 ? 
ATOM   621  N  N   . GLU   A 1 73  ? -24.356 2.123   4.750   1.000 14.357 0 185 GLU   A N   1 ? 
ATOM   622  C  CA  . GLU   A 1 73  ? -24.688 1.734   6.110   1.000 14.846 0 185 GLU   A CA  1 ? 
ATOM   623  C  C   . GLU   A 1 73  ? -23.968 2.695   7.053   1.000 15.223 0 185 GLU   A C   1 ? 
ATOM   624  O  O   . GLU   A 1 73  ? -22.747 2.831   6.993   1.000 15.087 0 185 GLU   A O   1 ? 
ATOM   625  C  CB  . GLU   A 1 73  ? -24.313 0.275   6.378   1.000 15.350 0 185 GLU   A CB  1 ? 
ATOM   626  C  CG  . GLU   A 1 73  ? -25.151 -0.725  5.585   1.000 16.102 0 185 GLU   A CG  1 ? 
ATOM   627  C  CD  . GLU   A 1 73  ? -24.747 -2.181  5.746   1.000 16.872 0 185 GLU   A CD  1 ? 
ATOM   628  O  OE1 . GLU   A 1 73  ? -24.541 -2.613  6.899   1.000 17.942 0 185 GLU   A OE1 1 ? 
ATOM   629  O  OE2 . GLU   A 1 73  ? -24.647 -2.897  4.726   1.000 17.068 0 185 GLU   A OE2 1 ? 
ATOM   630  N  N   . ARG   A 1 74  ? -24.744 3.375   7.901   1.000 15.433 0 186 ARG   A N   1 ? 
ATOM   631  C  CA  . ARG   A 1 74  ? -24.226 4.460   8.716   1.000 16.916 0 186 ARG   A CA  1 ? 
ATOM   632  C  C   . ARG   A 1 74  ? -24.337 4.102   10.194  1.000 18.110 0 186 ARG   A C   1 ? 
ATOM   633  O  O   . ARG   A 1 74  ? -25.271 3.414   10.602  1.000 18.324 0 186 ARG   A O   1 ? 
ATOM   634  C  CB  . ARG   A 1 74  ? -24.979 5.747   8.364   1.000 16.626 0 186 ARG   A CB  1 ? 
ATOM   635  C  CG  . ARG   A 1 74  ? -24.555 6.340   7.028   1.000 16.637 0 186 ARG   A CG  1 ? 
ATOM   636  C  CD  . ARG   A 1 74  ? -25.549 7.345   6.467   1.000 17.111 0 186 ARG   A CD  1 ? 
ATOM   637  N  NE  . ARG   A 1 74  ? -24.927 8.164   5.421   1.000 17.377 0 186 ARG   A NE  1 ? 
ATOM   638  C  CZ  . ARG   A 1 74  ? -24.104 9.185   5.651   1.000 17.239 0 186 ARG   A CZ  1 ? 
ATOM   639  N  NH1 . ARG   A 1 74  ? -23.919 9.630   6.880   1.000 17.891 0 186 ARG   A NH1 1 ? 
ATOM   640  N  NH2 . ARG   A 1 74  ? -23.481 9.772   4.648   1.000 16.668 0 186 ARG   A NH2 1 ? 
ATOM   641  N  N   A GLN   A 1 75  ? -23.369 4.594   10.981  0.500 18.839 0 187 GLN   A N   1 ? 
ATOM   642  N  N   B GLN   A 1 75  ? -23.364 4.568   10.983  0.500 18.714 0 187 GLN   A N   1 ? 
ATOM   643  C  CA  A GLN   A 1 75  ? -23.270 4.335   12.411  0.500 20.098 0 187 GLN   A CA  1 ? 
ATOM   644  C  CA  B GLN   A 1 75  ? -23.386 4.349   12.419  0.500 19.862 0 187 GLN   A CA  1 ? 
ATOM   645  C  C   A GLN   A 1 75  ? -22.802 5.604   13.122  0.500 20.073 0 187 GLN   A C   1 ? 
ATOM   646  C  C   B GLN   A 1 75  ? -22.821 5.578   13.125  0.500 19.943 0 187 GLN   A C   1 ? 
ATOM   647  O  O   A GLN   A 1 75  ? -21.827 6.222   12.699  0.500 20.232 0 187 GLN   A O   1 ? 
ATOM   648  O  O   B GLN   A 1 75  ? -21.807 6.132   12.706  0.500 20.113 0 187 GLN   A O   1 ? 
ATOM   649  C  CB  A GLN   A 1 75  ? -22.274 3.197   12.641  0.500 20.772 0 187 GLN   A CB  1 ? 
ATOM   650  C  CB  B GLN   A 1 75  ? -22.623 3.081   12.796  0.500 20.390 0 187 GLN   A CB  1 ? 
ATOM   651  C  CG  A GLN   A 1 75  ? -21.901 2.974   14.103  0.500 21.811 0 187 GLN   A CG  1 ? 
ATOM   652  C  CG  B GLN   A 1 75  ? -22.816 2.662   14.249  0.500 21.010 0 187 GLN   A CG  1 ? 
ATOM   653  C  CD  A GLN   A 1 75  ? -23.083 2.604   14.973  0.500 22.468 0 187 GLN   A CD  1 ? 
ATOM   654  C  CD  B GLN   A 1 75  ? -21.799 1.642   14.702  0.500 21.174 0 187 GLN   A CD  1 ? 
ATOM   655  O  OE1 A GLN   A 1 75  ? -24.127 3.265   14.958  0.500 23.481 0 187 GLN   A OE1 1 ? 
ATOM   656  O  OE1 B GLN   A 1 75  ? -20.588 1.848   14.571  0.500 21.032 0 187 GLN   A OE1 1 ? 
ATOM   657  N  NE2 A GLN   A 1 75  ? -22.930 1.534   15.738  0.500 23.104 0 187 GLN   A NE2 1 ? 
ATOM   658  N  NE2 B GLN   A 1 75  ? -22.282 0.527   15.230  0.500 21.500 0 187 GLN   A NE2 1 ? 
ATOM   659  N  N   . SER   A 1 76  ? -23.500 5.978   14.206  1.000 20.412 0 188 SER   A N   1 ? 
ATOM   660  C  CA  . SER   A 1 76  ? -23.159 7.167   14.975  1.000 20.462 0 188 SER   A CA  1 ? 
ATOM   661  C  C   . SER   A 1 76  ? -22.149 6.858   16.078  1.000 19.537 0 188 SER   A C   1 ? 
ATOM   662  O  O   . SER   A 1 76  ? -21.488 7.769   16.575  1.000 20.420 0 188 SER   A O   1 ? 
ATOM   663  C  CB  . SER   A 1 76  ? -24.385 7.851   15.533  1.000 21.548 0 188 SER   A CB  1 ? 
ATOM   664  O  OG  . SER   A 1 76  ? -25.038 8.605   14.522  1.000 22.916 0 188 SER   A OG  1 ? 
ATOM   665  N  N   . VAL   A 1 77  ? -22.049 5.584   16.474  1.000 18.452 0 189 VAL   A N   1 ? 
ATOM   666  C  CA  . VAL   A 1 77  ? -21.020 5.177   17.419  1.000 17.493 0 189 VAL   A CA  1 ? 
ATOM   667  C  C   . VAL   A 1 77  ? -19.669 5.447   16.762  1.000 16.494 0 189 VAL   A C   1 ? 
ATOM   668  O  O   . VAL   A 1 77  ? -19.390 4.918   15.690  1.000 16.124 0 189 VAL   A O   1 ? 
ATOM   669  C  CB  . VAL   A 1 77  ? -21.154 3.716   17.895  1.000 17.791 0 189 VAL   A CB  1 ? 
ATOM   670  C  CG1 . VAL   A 1 77  ? -19.959 3.274   18.735  1.000 18.034 0 189 VAL   A CG1 1 ? 
ATOM   671  C  CG2 . VAL   A 1 77  ? -22.450 3.493   18.666  1.000 18.777 0 189 VAL   A CG2 1 ? 
ATOM   672  N  N   . PHE   A 1 78  ? -18.864 6.306   17.402  1.000 15.403 0 190 PHE   A N   1 ? 
ATOM   673  C  CA  . PHE   A 1 78  ? -17.652 6.834   16.795  1.000 14.645 0 190 PHE   A CA  1 ? 
ATOM   674  C  C   . PHE   A 1 78  ? -16.501 6.754   17.795  1.000 14.779 0 190 PHE   A C   1 ? 
ATOM   675  O  O   . PHE   A 1 78  ? -16.318 7.663   18.602  1.000 15.247 0 190 PHE   A O   1 ? 
ATOM   676  C  CB  . PHE   A 1 78  ? -17.904 8.278   16.351  1.000 13.974 0 190 PHE   A CB  1 ? 
ATOM   677  C  CG  . PHE   A 1 78  ? -16.858 8.824   15.388  1.000 13.500 0 190 PHE   A CG  1 ? 
ATOM   678  C  CD1 . PHE   A 1 78  ? -15.670 9.381   15.855  1.000 13.280 0 190 PHE   A CD1 1 ? 
ATOM   679  C  CD2 . PHE   A 1 78  ? -17.067 8.779   14.012  1.000 13.177 0 190 PHE   A CD2 1 ? 
ATOM   680  C  CE1 . PHE   A 1 78  ? -14.721 9.877   14.972  1.000 13.119 0 190 PHE   A CE1 1 ? 
ATOM   681  C  CE2 . PHE   A 1 78  ? -16.113 9.275   13.133  1.000 13.083 0 190 PHE   A CE2 1 ? 
ATOM   682  C  CZ  . PHE   A 1 78  ? -14.944 9.822   13.612  1.000 13.146 0 190 PHE   A CZ  1 ? 
ATOM   683  N  N   . PRO   A 1 79  ? -15.674 5.684   17.757  1.000 14.386 0 191 PRO   A N   1 ? 
ATOM   684  C  CA  . PRO   A 1 79  ? -14.615 5.486   18.750  1.000 14.606 0 191 PRO   A CA  1 ? 
ATOM   685  C  C   . PRO   A 1 79  ? -13.285 6.208   18.534  1.000 14.482 0 191 PRO   A C   1 ? 
ATOM   686  O  O   . PRO   A 1 79  ? -12.391 6.103   19.371  1.000 15.736 0 191 PRO   A O   1 ? 
ATOM   687  C  CB  . PRO   A 1 79  ? -14.450 3.955   18.714  1.000 14.579 0 191 PRO   A CB  1 ? 
ATOM   688  C  CG  . PRO   A 1 79  ? -14.714 3.594   17.272  1.000 14.565 0 191 PRO   A CG  1 ? 
ATOM   689  C  CD  . PRO   A 1 79  ? -15.754 4.585   16.780  1.000 14.833 0 191 PRO   A CD  1 ? 
ATOM   690  N  N   . PHE   A 1 80  ? -13.168 6.948   17.424  1.000 14.109 0 192 PHE   A N   1 ? 
ATOM   691  C  CA  . PHE   A 1 80  ? -11.924 7.614   17.065  1.000 13.752 0 192 PHE   A CA  1 ? 
ATOM   692  C  C   . PHE   A 1 80  ? -11.896 9.026   17.645  1.000 14.157 0 192 PHE   A C   1 ? 
ATOM   693  O  O   . PHE   A 1 80  ? -12.939 9.643   17.855  1.000 14.513 0 192 PHE   A O   1 ? 
ATOM   694  C  CB  . PHE   A 1 80  ? -11.703 7.674   15.550  1.000 13.150 0 192 PHE   A CB  1 ? 
ATOM   695  C  CG  . PHE   A 1 80  ? -11.694 6.314   14.865  1.000 12.714 0 192 PHE   A CG  1 ? 
ATOM   696  C  CD1 . PHE   A 1 80  ? -10.521 5.570   14.761  1.000 12.626 0 192 PHE   A CD1 1 ? 
ATOM   697  C  CD2 . PHE   A 1 80  ? -12.860 5.787   14.314  1.000 12.666 0 192 PHE   A CD2 1 ? 
ATOM   698  C  CE1 . PHE   A 1 80  ? -10.520 4.326   14.137  1.000 12.315 0 192 PHE   A CE1 1 ? 
ATOM   699  C  CE2 . PHE   A 1 80  ? -12.855 4.544   13.696  1.000 12.718 0 192 PHE   A CE2 1 ? 
ATOM   700  C  CZ  . PHE   A 1 80  ? -11.688 3.817   13.607  1.000 12.662 0 192 PHE   A CZ  1 ? 
ATOM   701  N  N   . GLU   A 1 81  ? -10.677 9.521   17.889  1.000 14.355 0 193 GLU   A N   1 ? 
ATOM   702  C  CA  . GLU   A 1 81  ? -10.441 10.884  18.336  1.000 15.053 0 193 GLU   A CA  1 ? 
ATOM   703  C  C   . GLU   A 1 81  ? -9.186  11.416  17.654  1.000 14.670 0 193 GLU   A C   1 ? 
ATOM   704  O  O   . GLU   A 1 81  ? -8.184  10.708  17.557  1.000 14.360 0 193 GLU   A O   1 ? 
ATOM   705  C  CB  . GLU   A 1 81  ? -10.222 10.946  19.850  1.000 16.176 0 193 GLU   A CB  1 ? 
ATOM   706  C  CG  . GLU   A 1 81  ? -11.427 10.512  20.680  1.000 17.566 0 193 GLU   A CG  1 ? 
ATOM   707  C  CD  . GLU   A 1 81  ? -12.614 11.460  20.661  1.000 18.796 0 193 GLU   A CD  1 ? 
ATOM   708  O  OE1 . GLU   A 1 81  ? -12.435 12.664  20.380  1.000 19.770 0 193 GLU   A OE1 1 ? 
ATOM   709  O  OE2 . GLU   A 1 81  ? -13.738 10.974  20.910  1.000 19.872 0 193 GLU   A OE2 1 ? 
ATOM   710  N  N   . SER   A 1 82  ? -9.255  12.671  17.192  1.000 14.488 0 194 SER   A N   1 ? 
ATOM   711  C  CA  A SER   A 1 82  ? -8.117  13.354  16.597  0.700 14.924 0 194 SER   A CA  1 ? 
ATOM   712  C  CA  B SER   A 1 82  ? -8.112  13.336  16.589  0.300 14.652 0 194 SER   A CA  1 ? 
ATOM   713  C  C   . SER   A 1 82  ? -6.931  13.327  17.557  1.000 14.733 0 194 SER   A C   1 ? 
ATOM   714  O  O   . SER   A 1 82  ? -7.087  13.607  18.745  1.000 15.028 0 194 SER   A O   1 ? 
ATOM   715  C  CB  A SER   A 1 82  ? -8.467  14.775  16.233  0.700 15.618 0 194 SER   A CB  1 ? 
ATOM   716  C  CB  B SER   A 1 82  ? -8.460  14.739  16.152  0.300 14.810 0 194 SER   A CB  1 ? 
ATOM   717  O  OG  A SER   A 1 82  ? -9.427  14.815  15.188  0.700 16.760 0 194 SER   A OG  1 ? 
ATOM   718  O  OG  B SER   A 1 82  ? -8.934  15.510  17.247  0.300 15.006 0 194 SER   A OG  1 ? 
ATOM   719  N  N   . GLY   A 1 83  ? -5.752  12.982  17.029  1.000 14.037 0 195 GLY   A N   1 ? 
ATOM   720  C  CA  . GLY   A 1 83  ? -4.516  13.024  17.793  1.000 13.807 0 195 GLY   A CA  1 ? 
ATOM   721  C  C   . GLY   A 1 83  ? -4.206  11.724  18.533  1.000 13.469 0 195 GLY   A C   1 ? 
ATOM   722  O  O   . GLY   A 1 83  ? -3.104  11.578  19.061  1.000 14.034 0 195 GLY   A O   1 ? 
ATOM   723  N  N   . LYS   A 1 84  ? -5.159  10.783  18.556  1.000 12.999 0 196 LYS   A N   1 ? 
ATOM   724  C  CA  . LYS   A 1 84  ? -5.048  9.624   19.430  1.000 12.393 0 196 LYS   A CA  1 ? 
ATOM   725  C  C   . LYS   A 1 84  ? -4.675  8.362   18.657  1.000 12.008 0 196 LYS   A C   1 ? 
ATOM   726  O  O   . LYS   A 1 84  ? -5.145  8.146   17.541  1.000 12.013 0 196 LYS   A O   1 ? 
ATOM   727  C  CB  . LYS   A 1 84  ? -6.335  9.367   20.218  1.000 12.650 0 196 LYS   A CB  1 ? 
ATOM   728  C  CG  . LYS   A 1 84  ? -6.612  10.394  21.302  1.000 12.679 0 196 LYS   A CG  1 ? 
ATOM   729  C  CD  . LYS   A 1 84  ? -7.679  9.896   22.266  1.000 12.724 0 196 LYS   A CD  1 ? 
ATOM   730  C  CE  . LYS   A 1 84  ? -8.217  11.005  23.105  1.000 12.853 0 196 LYS   A CE  1 ? 
ATOM   731  N  NZ  . LYS   A 1 84  ? -9.130  10.510  24.138  1.000 13.080 0 196 LYS   A NZ  1 ? 
ATOM   732  N  N   . PRO   A 1 85  ? -3.850  7.477   19.268  1.000 11.839 0 197 PRO   A N   1 ? 
ATOM   733  C  CA  . PRO   A 1 85  ? -3.531  6.176   18.678  1.000 11.657 0 197 PRO   A CA  1 ? 
ATOM   734  C  C   . PRO   A 1 85  ? -4.759  5.268   18.661  1.000 11.346 0 197 PRO   A C   1 ? 
ATOM   735  O  O   . PRO   A 1 85  ? -5.561  5.271   19.594  1.000 11.074 0 197 PRO   A O   1 ? 
ATOM   736  C  CB  . PRO   A 1 85  ? -2.403  5.633   19.576  1.000 12.073 0 197 PRO   A CB  1 ? 
ATOM   737  C  CG  . PRO   A 1 85  ? -2.627  6.317   20.905  1.000 12.216 0 197 PRO   A CG  1 ? 
ATOM   738  C  CD  . PRO   A 1 85  ? -3.183  7.692   20.564  1.000 11.851 0 197 PRO   A CD  1 ? 
ATOM   739  N  N   . PHE   A 1 86  ? -4.896  4.493   17.583  1.000 10.789 0 198 PHE   A N   1 ? 
ATOM   740  C  CA  . PHE   A 1 86  ? -6.035  3.605   17.445  1.000 10.712 0 198 PHE   A CA  1 ? 
ATOM   741  C  C   . PHE   A 1 86  ? -5.560  2.225   17.003  1.000 10.308 0 198 PHE   A C   1 ? 
ATOM   742  O  O   . PHE   A 1 86  ? -4.455  2.064   16.484  1.000 10.088 0 198 PHE   A O   1 ? 
ATOM   743  C  CB  . PHE   A 1 86  ? -7.032  4.142   16.414  1.000 11.176 0 198 PHE   A CB  1 ? 
ATOM   744  C  CG  . PHE   A 1 86  ? -6.464  4.236   15.007  1.000 11.764 0 198 PHE   A CG  1 ? 
ATOM   745  C  CD1 . PHE   A 1 86  ? -6.465  3.132   14.159  1.000 12.074 0 198 PHE   A CD1 1 ? 
ATOM   746  C  CD2 . PHE   A 1 86  ? -5.914  5.427   14.541  1.000 12.161 0 198 PHE   A CD2 1 ? 
ATOM   747  C  CE1 . PHE   A 1 86  ? -5.932  3.219   12.879  1.000 12.263 0 198 PHE   A CE1 1 ? 
ATOM   748  C  CE2 . PHE   A 1 86  ? -5.390  5.513   13.259  1.000 12.301 0 198 PHE   A CE2 1 ? 
ATOM   749  C  CZ  . PHE   A 1 86  ? -5.402  4.410   12.431  1.000 12.466 0 198 PHE   A CZ  1 ? 
ATOM   750  N  N   . LYS   A 1 87  ? -6.437  1.241   17.209  1.000 10.339 0 199 LYS   A N   1 ? 
ATOM   751  C  CA  . LYS   A 1 87  ? -6.289  -0.074  16.617  1.000 10.502 0 199 LYS   A CA  1 ? 
ATOM   752  C  C   . LYS   A 1 87  ? -7.615  -0.461  15.969  1.000 10.429 0 199 LYS   A C   1 ? 
ATOM   753  O  O   . LYS   A 1 87  ? -8.633  -0.559  16.652  1.000 10.799 0 199 LYS   A O   1 ? 
ATOM   754  C  CB  . LYS   A 1 87  ? -5.869  -1.094  17.681  1.000 10.741 0 199 LYS   A CB  1 ? 
ATOM   755  C  CG  . LYS   A 1 87  ? -5.772  -2.536  17.177  1.000 11.194 0 199 LYS   A CG  1 ? 
ATOM   756  C  CD  . LYS   A 1 87  ? -5.238  -3.519  18.214  1.000 11.559 0 199 LYS   A CD  1 ? 
ATOM   757  C  CE  . LYS   A 1 87  ? -6.134  -3.724  19.402  1.000 12.091 0 199 LYS   A CE  1 ? 
ATOM   758  N  NZ  . LYS   A 1 87  ? -5.495  -4.584  20.404  1.000 12.328 0 199 LYS   A NZ  1 ? 
ATOM   759  N  N   . ILE   A 1 88  ? -7.592  -0.658  14.646  1.000 10.350 0 200 ILE   A N   1 ? 
ATOM   760  C  CA  . ILE   A 1 88  ? -8.743  -1.192  13.937  1.000 10.254 0 200 ILE   A CA  1 ? 
ATOM   761  C  C   . ILE   A 1 88  ? -8.463  -2.663  13.659  1.000 10.429 0 200 ILE   A C   1 ? 
ATOM   762  O  O   . ILE   A 1 88  ? -7.406  -3.011  13.136  1.000 10.376 0 200 ILE   A O   1 ? 
ATOM   763  C  CB  . ILE   A 1 88  ? -9.031  -0.421  12.633  1.000 10.233 0 200 ILE   A CB  1 ? 
ATOM   764  C  CG1 . ILE   A 1 88  ? -9.202  1.081   12.874  1.000 10.387 0 200 ILE   A CG1 1 ? 
ATOM   765  C  CG2 . ILE   A 1 88  ? -10.242 -1.014  11.905  1.000 10.266 0 200 ILE   A CG2 1 ? 
ATOM   766  C  CD1 . ILE   A 1 88  ? -9.351  1.888   11.595  1.000 10.374 0 200 ILE   A CD1 1 ? 
ATOM   767  N  N   . GLN   A 1 89  ? -9.414  -3.517  14.039  1.000 10.568 0 201 GLN   A N   1 ? 
ATOM   768  C  CA  . GLN   A 1 89  ? -9.329  -4.928  13.713  1.000 11.169 0 201 GLN   A CA  1 ? 
ATOM   769  C  C   . GLN   A 1 89  ? -10.539 -5.312  12.871  1.000 11.128 0 201 GLN   A C   1 ? 
ATOM   770  O  O   . GLN   A 1 89  ? -11.678 -5.000  13.218  1.000 11.165 0 201 GLN   A O   1 ? 
ATOM   771  C  CB  . GLN   A 1 89  ? -9.169  -5.787  14.965  1.000 12.114 0 201 GLN   A CB  1 ? 
ATOM   772  C  CG  . GLN   A 1 89  ? -7.839  -5.566  15.680  1.000 13.721 0 201 GLN   A CG  1 ? 
ATOM   773  C  CD  . GLN   A 1 89  ? -7.736  -6.339  16.974  1.000 15.054 0 201 GLN   A CD  1 ? 
ATOM   774  O  OE1 . GLN   A 1 89  ? -8.574  -6.198  17.870  1.000 16.694 0 201 GLN   A OE1 1 ? 
ATOM   775  N  NE2 . GLN   A 1 89  ? -6.711  -7.173  17.074  1.000 15.499 0 201 GLN   A NE2 1 ? 
ATOM   776  N  N   . VAL   A 1 90  ? -10.254 -5.971  11.746  1.000 11.195 0 202 VAL   A N   1 ? 
ATOM   777  C  CA  . VAL   A 1 90  ? -11.277 -6.496  10.861  1.000 11.496 0 202 VAL   A CA  1 ? 
ATOM   778  C  C   . VAL   A 1 90  ? -11.175 -8.017  10.888  1.000 11.755 0 202 VAL   A C   1 ? 
ATOM   779  O  O   . VAL   A 1 90  ? -10.176 -8.588  10.450  1.000 11.734 0 202 VAL   A O   1 ? 
ATOM   780  C  CB  . VAL   A 1 90  ? -11.158 -5.945  9.427   1.000 11.359 0 202 VAL   A CB  1 ? 
ATOM   781  C  CG1 . VAL   A 1 90  ? -12.261 -6.490  8.527   1.000 11.472 0 202 VAL   A CG1 1 ? 
ATOM   782  C  CG2 . VAL   A 1 90  ? -11.145 -4.417  9.391   1.000 11.246 0 202 VAL   A CG2 1 ? 
ATOM   783  N  N   . LEU   A 1 91  ? -12.206 -8.649  11.457  1.000 11.678 0 203 LEU   A N   1 ? 
ATOM   784  C  CA  . LEU   A 1 91  ? -12.327 -10.095 11.470  1.000 12.010 0 203 LEU   A CA  1 ? 
ATOM   785  C  C   . LEU   A 1 91  ? -13.212 -10.507 10.303  1.000 11.630 0 203 LEU   A C   1 ? 
ATOM   786  O  O   . LEU   A 1 91  ? -14.363 -10.077 10.208  1.000 11.986 0 203 LEU   A O   1 ? 
ATOM   787  C  CB  . LEU   A 1 91  ? -12.904 -10.596 12.795  1.000 12.483 0 203 LEU   A CB  1 ? 
ATOM   788  C  CG  . LEU   A 1 91  ? -13.119 -12.112 12.887  1.000 13.379 0 203 LEU   A CG  1 ? 
ATOM   789  C  CD1 . LEU   A 1 91  ? -11.797 -12.861 12.792  1.000 13.856 0 203 LEU   A CD1 1 ? 
ATOM   790  C  CD2 . LEU   A 1 91  ? -13.881 -12.511 14.145  1.000 14.081 0 203 LEU   A CD2 1 ? 
ATOM   791  N  N   . VAL   A 1 92  ? -12.655 -11.343 9.423   1.000 11.061 0 204 VAL   A N   1 ? 
ATOM   792  C  CA  . VAL   A 1 92  ? -13.408 -11.887 8.310   1.000 11.309 0 204 VAL   A CA  1 ? 
ATOM   793  C  C   . VAL   A 1 92  ? -14.171 -13.107 8.818   1.000 11.781 0 204 VAL   A C   1 ? 
ATOM   794  O  O   . VAL   A 1 92  ? -13.572 -14.058 9.311   1.000 11.856 0 204 VAL   A O   1 ? 
ATOM   795  C  CB  . VAL   A 1 92  ? -12.520 -12.237 7.099   1.000 11.083 0 204 VAL   A CB  1 ? 
ATOM   796  C  CG1 . VAL   A 1 92  ? -13.351 -12.777 5.939   1.000 11.090 0 204 VAL   A CG1 1 ? 
ATOM   797  C  CG2 . VAL   A 1 92  ? -11.682 -11.047 6.643   1.000 10.943 0 204 VAL   A CG2 1 ? 
ATOM   798  N  N   . GLU   A 1 93  ? -15.502 -13.038 8.729   1.000 12.148 0 205 GLU   A N   1 ? 
ATOM   799  C  CA  . GLU   A 1 93  ? -16.364 -14.141 9.113   1.000 13.382 0 205 GLU   A CA  1 ? 
ATOM   800  C  C   . GLU   A 1 93  ? -17.040 -14.667 7.849   1.000 13.046 0 205 GLU   A C   1 ? 
ATOM   801  O  O   . GLU   A 1 93  ? -16.932 -14.045 6.794   1.000 12.572 0 205 GLU   A O   1 ? 
ATOM   802  C  CB  . GLU   A 1 93  ? -17.353 -13.683 10.187  1.000 14.775 0 205 GLU   A CB  1 ? 
ATOM   803  C  CG  . GLU   A 1 93  ? -16.671 -13.260 11.485  1.000 17.342 0 205 GLU   A CG  1 ? 
ATOM   804  C  CD  . GLU   A 1 93  ? -17.570 -12.920 12.663  1.000 19.803 0 205 GLU   A CD  1 ? 
ATOM   805  O  OE1 . GLU   A 1 93  ? -18.809 -12.966 12.526  1.000 21.166 0 205 GLU   A OE1 1 ? 
ATOM   806  O  OE2 . GLU   A 1 93  ? -17.016 -12.614 13.740  1.000 22.122 0 205 GLU   A OE2 1 ? 
ATOM   807  N  N   . PRO   A 1 94  ? -17.720 -15.837 7.886   1.000 12.971 0 206 PRO   A N   1 ? 
ATOM   808  C  CA  . PRO   A 1 94  ? -18.366 -16.371 6.688   1.000 12.910 0 206 PRO   A CA  1 ? 
ATOM   809  C  C   . PRO   A 1 94  ? -19.356 -15.427 6.011   1.000 12.828 0 206 PRO   A C   1 ? 
ATOM   810  O  O   . PRO   A 1 94  ? -19.432 -15.400 4.788   1.000 13.162 0 206 PRO   A O   1 ? 
ATOM   811  C  CB  . PRO   A 1 94  ? -19.027 -17.655 7.205   1.000 12.851 0 206 PRO   A CB  1 ? 
ATOM   812  C  CG  . PRO   A 1 94  ? -18.145 -18.064 8.363   1.000 12.818 0 206 PRO   A CG  1 ? 
ATOM   813  C  CD  . PRO   A 1 94  ? -17.847 -16.738 9.046   1.000 12.777 0 206 PRO   A CD  1 ? 
ATOM   814  N  N   . ASP   A 1 95  ? -20.092 -14.637 6.804   1.000 13.243 0 207 ASP   A N   1 ? 
ATOM   815  C  CA  . ASP   A 1 95  ? -21.196 -13.864 6.255   1.000 13.428 0 207 ASP   A CA  1 ? 
ATOM   816  C  C   . ASP   A 1 95  ? -20.981 -12.354 6.352   1.000 13.029 0 207 ASP   A C   1 ? 
ATOM   817  O  O   . ASP   A 1 95  ? -21.764 -11.598 5.778   1.000 12.640 0 207 ASP   A O   1 ? 
ATOM   818  C  CB  . ASP   A 1 95  ? -22.522 -14.267 6.875   1.000 14.299 0 207 ASP   A CB  1 ? 
ATOM   819  C  CG  . ASP   A 1 95  ? -23.138 -15.541 6.317   1.000 15.183 0 207 ASP   A CG  1 ? 
ATOM   820  O  OD1 . ASP   A 1 95  ? -22.747 -15.953 5.201   1.000 15.399 0 207 ASP   A OD1 1 ? 
ATOM   821  O  OD2 . ASP   A 1 95  ? -23.985 -16.120 7.019   1.000 15.788 0 207 ASP   A OD2 1 ? 
ATOM   822  N  N   . HIS   A 1 96  ? -19.946 -11.917 7.079   1.000 13.009 0 208 HIS   A N   1 ? 
ATOM   823  C  CA  . HIS   A 1 96  ? -19.722 -10.488 7.234   1.000 13.126 0 208 HIS   A CA  1 ? 
ATOM   824  C  C   . HIS   A 1 96  ? -18.280 -10.185 7.630   1.000 12.340 0 208 HIS   A C   1 ? 
ATOM   825  O  O   . HIS   A 1 96  ? -17.540 -11.069 8.052   1.000 11.766 0 208 HIS   A O   1 ? 
ATOM   826  C  CB  . HIS   A 1 96  ? -20.707 -9.878  8.240   1.000 14.754 0 208 HIS   A CB  1 ? 
ATOM   827  C  CG  . HIS   A 1 96  ? -20.687 -10.514 9.582   1.000 16.383 0 208 HIS   A CG  1 ? 
ATOM   828  N  ND1 . HIS   A 1 96  ? -21.633 -11.432 9.982   1.000 17.693 0 208 HIS   A ND1 1 ? 
ATOM   829  C  CD2 . HIS   A 1 96  ? -19.848 -10.366 10.616  1.000 17.410 0 208 HIS   A CD2 1 ? 
ATOM   830  C  CE1 . HIS   A 1 96  ? -21.362 -11.823 11.219  1.000 17.952 0 208 HIS   A CE1 1 ? 
ATOM   831  N  NE2 . HIS   A 1 96  ? -20.283 -11.189 11.623  1.000 18.271 0 208 HIS   A NE2 1 ? 
ATOM   832  N  N   . PHE   A 1 97  ? -17.905 -8.908  7.472   1.000 11.519 0 209 PHE   A N   1 ? 
ATOM   833  C  CA  . PHE   A 1 97  ? -16.740 -8.353  8.139   1.000 11.477 0 209 PHE   A CA  1 ? 
ATOM   834  C  C   . PHE   A 1 97  ? -17.182 -7.845  9.507   1.000 11.820 0 209 PHE   A C   1 ? 
ATOM   835  O  O   . PHE   A 1 97  ? -18.192 -7.154  9.618   1.000 12.061 0 209 PHE   A O   1 ? 
ATOM   836  C  CB  . PHE   A 1 97  ? -16.146 -7.180  7.352   1.000 11.025 0 209 PHE   A CB  1 ? 
ATOM   837  C  CG  . PHE   A 1 97  ? -15.586 -7.521  5.979   1.000 10.747 0 209 PHE   A CG  1 ? 
ATOM   838  C  CD1 . PHE   A 1 97  ? -14.295 -8.026  5.843   1.000 10.573 0 209 PHE   A CD1 1 ? 
ATOM   839  C  CD2 . PHE   A 1 97  ? -16.339 -7.314  4.827   1.000 10.476 0 209 PHE   A CD2 1 ? 
ATOM   840  C  CE1 . PHE   A 1 97  ? -13.777 -8.329  4.592   1.000 10.636 0 209 PHE   A CE1 1 ? 
ATOM   841  C  CE2 . PHE   A 1 97  ? -15.815 -7.618  3.577   1.000 10.351 0 209 PHE   A CE2 1 ? 
ATOM   842  C  CZ  . PHE   A 1 97  ? -14.537 -8.122  3.462   1.000 10.400 0 209 PHE   A CZ  1 ? 
ATOM   843  N  N   . LYS   A 1 98  ? -16.423 -8.214  10.541  1.000 12.086 0 210 LYS   A N   1 ? 
ATOM   844  C  CA  . LYS   A 1 98  ? -16.652 -7.684  11.875  1.000 12.411 0 210 LYS   A CA  1 ? 
ATOM   845  C  C   . LYS   A 1 98  ? -15.525 -6.709  12.201  1.000 12.212 0 210 LYS   A C   1 ? 
ATOM   846  O  O   . LYS   A 1 98  ? -14.350 -7.035  12.034  1.000 11.820 0 210 LYS   A O   1 ? 
ATOM   847  C  CB  . LYS   A 1 98  ? -16.848 -8.849  12.853  1.000 13.819 0 210 LYS   A CB  1 ? 
ATOM   848  C  CG  . LYS   A 1 98  ? -16.900 -8.526  14.344  1.000 15.466 0 210 LYS   A CG  1 ? 
ATOM   849  C  CD  . LYS   A 1 98  ? -15.561 -8.759  15.032  1.000 17.158 0 210 LYS   A CD  1 ? 
ATOM   850  C  CE  . LYS   A 1 98  ? -15.629 -8.627  16.523  1.000 18.599 0 210 LYS   A CE  1 ? 
ATOM   851  N  NZ  . LYS   A 1 98  ? -15.817 -7.233  16.932  1.000 19.023 0 210 LYS   A NZ  1 ? 
ATOM   852  N  N   . VAL   A 1 99  ? -15.905 -5.511  12.661  1.000 11.364 0 211 VAL   A N   1 ? 
ATOM   853  C  CA  . VAL   A 1 99  ? -14.946 -4.459  12.960  1.000 11.064 0 211 VAL   A CA  1 ? 
ATOM   854  C  C   . VAL   A 1 99  ? -14.967 -4.163  14.459  1.000 10.878 0 211 VAL   A C   1 ? 
ATOM   855  O  O   . VAL   A 1 99  ? -16.025 -3.919  15.039  1.000 10.776 0 211 VAL   A O   1 ? 
ATOM   856  C  CB  . VAL   A 1 99  ? -15.172 -3.164  12.151  1.000 11.075 0 211 VAL   A CB  1 ? 
ATOM   857  C  CG1 . VAL   A 1 99  ? -14.079 -2.136  12.421  1.000 10.894 0 211 VAL   A CG1 1 ? 
ATOM   858  C  CG2 . VAL   A 1 99  ? -15.283 -3.426  10.651  1.000 11.149 0 211 VAL   A CG2 1 ? 
ATOM   859  N  N   . ALA   A 1 100 ? -13.774 -4.163  15.064  1.000 10.812 0 212 ALA   A N   1 ? 
ATOM   860  C  CA  . ALA   A 1 100 ? -13.580 -3.677  16.421  1.000 10.660 0 212 ALA   A CA  1 ? 
ATOM   861  C  C   . ALA   A 1 100 ? -12.511 -2.587  16.417  1.000 10.829 0 212 ALA   A C   1 ? 
ATOM   862  O  O   . ALA   A 1 100 ? -11.532 -2.678  15.676  1.000 10.694 0 212 ALA   A O   1 ? 
ATOM   863  C  CB  . ALA   A 1 100 ? -13.203 -4.825  17.338  1.000 10.588 0 212 ALA   A CB  1 ? 
ATOM   864  N  N   . VAL   A 1 101 ? -12.724 -1.552  17.237  1.000 10.775 0 213 VAL   A N   1 ? 
ATOM   865  C  CA  . VAL   A 1 101 ? -11.766 -0.466  17.385  1.000 10.987 0 213 VAL   A CA  1 ? 
ATOM   866  C  C   . VAL   A 1 101 ? -11.368 -0.382  18.855  1.000 11.287 0 213 VAL   A C   1 ? 
ATOM   867  O  O   . VAL   A 1 101 ? -12.233 -0.313  19.727  1.000 11.263 0 213 VAL   A O   1 ? 
ATOM   868  C  CB  . VAL   A 1 101 ? -12.304 0.888   16.875  1.000 10.817 0 213 VAL   A CB  1 ? 
ATOM   869  C  CG1 . VAL   A 1 101 ? -11.277 2.006   17.022  1.000 10.635 0 213 VAL   A CG1 1 ? 
ATOM   870  C  CG2 . VAL   A 1 101 ? -12.803 0.813   15.436  1.000 10.939 0 213 VAL   A CG2 1 ? 
ATOM   871  N  N   . ASN   A 1 102 ? -10.052 -0.399  19.109  1.000 11.225 0 214 ASN   A N   1 ? 
ATOM   872  C  CA  . ASN   A 1 102 ? -9.501  -0.307  20.454  1.000 11.779 0 214 ASN   A CA  1 ? 
ATOM   873  C  C   . ASN   A 1 102 ? -10.119 -1.390  21.340  1.000 12.807 0 214 ASN   A C   1 ? 
ATOM   874  O  O   . ASN   A 1 102 ? -10.477 -1.133  22.489  1.000 13.236 0 214 ASN   A O   1 ? 
ATOM   875  C  CB  . ASN   A 1 102 ? -9.641  1.107   21.016  1.000 11.277 0 214 ASN   A CB  1 ? 
ATOM   876  C  CG  . ASN   A 1 102 ? -9.037  2.160   20.114  1.000 11.269 0 214 ASN   A CG  1 ? 
ATOM   877  O  OD1 . ASN   A 1 102 ? -8.161  1.862   19.292  1.000 11.016 0 214 ASN   A OD1 1 ? 
ATOM   878  N  ND2 . ASN   A 1 102 ? -9.473  3.403   20.262  1.000 11.238 0 214 ASN   A ND2 1 ? 
ATOM   879  N  N   . ASP   A 1 103 ? -10.264 -2.594  20.770  1.000 13.741 0 215 ASP   A N   1 ? 
ATOM   880  C  CA  . ASP   A 1 103 ? -10.715 -3.794  21.465  1.000 14.825 0 215 ASP   A CA  1 ? 
ATOM   881  C  C   . ASP   A 1 103 ? -12.211 -3.756  21.784  1.000 14.759 0 215 ASP   A C   1 ? 
ATOM   882  O  O   . ASP   A 1 103 ? -12.695 -4.602  22.530  1.000 15.525 0 215 ASP   A O   1 ? 
ATOM   883  C  CB  . ASP   A 1 103 ? -9.856  -4.127  22.676  1.000 16.070 0 215 ASP   A CB  1 ? 
ATOM   884  C  CG  . ASP   A 1 103 ? -8.399  -4.434  22.371  1.000 17.212 0 215 ASP   A CG  1 ? 
ATOM   885  O  OD1 . ASP   A 1 103 ? -8.149  -5.374  21.587  1.000 18.294 0 215 ASP   A OD1 1 ? 
ATOM   886  O  OD2 . ASP   A 1 103 ? -7.530  -3.724  22.918  1.000 18.695 0 215 ASP   A OD2 1 ? 
ATOM   887  N  N   . ALA   A 1 104 ? -12.945 -2.802  21.202  1.000 14.444 0 216 ALA   A N   1 ? 
ATOM   888  C  CA  . ALA   A 1 104 ? -14.383 -2.724  21.402  1.000 14.221 0 216 ALA   A CA  1 ? 
ATOM   889  C  C   . ALA   A 1 104 ? -15.101 -2.974  20.079  1.000 14.060 0 216 ALA   A C   1 ? 
ATOM   890  O  O   . ALA   A 1 104 ? -14.763 -2.359  19.071  1.000 14.122 0 216 ALA   A O   1 ? 
ATOM   891  C  CB  . ALA   A 1 104 ? -14.755 -1.380  21.994  1.000 14.222 0 216 ALA   A CB  1 ? 
ATOM   892  N  N   . HIS   A 1 105 ? -16.088 -3.879  20.096  1.000 14.189 0 217 HIS   A N   1 ? 
ATOM   893  C  CA  . HIS   A 1 105 ? -16.882 -4.183  18.913  1.000 14.330 0 217 HIS   A CA  1 ? 
ATOM   894  C  C   . HIS   A 1 105 ? -17.545 -2.910  18.389  1.000 14.001 0 217 HIS   A C   1 ? 
ATOM   895  O  O   . HIS   A 1 105 ? -18.140 -2.153  19.159  1.000 14.527 0 217 HIS   A O   1 ? 
ATOM   896  C  CB  . HIS   A 1 105 ? -17.941 -5.250  19.212  1.000 15.350 0 217 HIS   A CB  1 ? 
ATOM   897  C  CG  . HIS   A 1 105 ? -18.878 -5.462  18.067  1.000 16.000 0 217 HIS   A CG  1 ? 
ATOM   898  N  ND1 . HIS   A 1 105 ? -18.613 -6.355  17.052  1.000 17.095 0 217 HIS   A ND1 1 ? 
ATOM   899  C  CD2 . HIS   A 1 105 ? -20.050 -4.891  17.759  1.000 16.429 0 217 HIS   A CD2 1 ? 
ATOM   900  C  CE1 . HIS   A 1 105 ? -19.603 -6.327  16.171  1.000 16.580 0 217 HIS   A CE1 1 ? 
ATOM   901  N  NE2 . HIS   A 1 105 ? -20.486 -5.443  16.578  1.000 16.430 0 217 HIS   A NE2 1 ? 
ATOM   902  N  N   . LEU   A 1 106 ? -17.460 -2.698  17.071  1.000 12.868 0 218 LEU   A N   1 ? 
ATOM   903  C  CA  . LEU   A 1 106 ? -17.995 -1.489  16.463  1.000 13.012 0 218 LEU   A CA  1 ? 
ATOM   904  C  C   . LEU   A 1 106 ? -19.196 -1.808  15.573  1.000 13.141 0 218 LEU   A C   1 ? 
ATOM   905  O  O   . LEU   A 1 106 ? -20.281 -1.267  15.784  1.000 13.364 0 218 LEU   A O   1 ? 
ATOM   906  C  CB  . LEU   A 1 106 ? -16.918 -0.694  15.721  1.000 12.485 0 218 LEU   A CB  1 ? 
ATOM   907  C  CG  . LEU   A 1 106 ? -17.395 0.586   15.021  1.000 12.510 0 218 LEU   A CG  1 ? 
ATOM   908  C  CD1 . LEU   A 1 106 ? -17.917 1.620   16.009  1.000 12.575 0 218 LEU   A CD1 1 ? 
ATOM   909  C  CD2 . LEU   A 1 106 ? -16.305 1.178   14.145  1.000 11.846 0 218 LEU   A CD2 1 ? 
ATOM   910  N  N   . LEU   A 1 107 ? -18.997 -2.676  14.574  1.000 13.182 0 219 LEU   A N   1 ? 
ATOM   911  C  CA  . LEU   A 1 107 ? -20.037 -2.950  13.591  1.000 13.316 0 219 LEU   A CA  1 ? 
ATOM   912  C  C   . LEU   A 1 107 ? -19.768 -4.273  12.879  1.000 13.562 0 219 LEU   A C   1 ? 
ATOM   913  O  O   . LEU   A 1 107 ? -18.672 -4.825  12.963  1.000 13.168 0 219 LEU   A O   1 ? 
ATOM   914  C  CB  . LEU   A 1 107 ? -20.216 -1.797  12.599  1.000 13.226 0 219 LEU   A CB  1 ? 
ATOM   915  C  CG  . LEU   A 1 107 ? -19.010 -1.406  11.733  1.000 13.250 0 219 LEU   A CG  1 ? 
ATOM   916  C  CD1 . LEU   A 1 107 ? -18.828 -2.294  10.509  1.000 13.220 0 219 LEU   A CD1 1 ? 
ATOM   917  C  CD2 . LEU   A 1 107 ? -19.133 0.054   11.315  1.000 13.423 0 219 LEU   A CD2 1 ? 
ATOM   918  N  N   . GLN   A 1 108 ? -20.804 -4.756  12.183  1.000 14.243 0 220 GLN   A N   1 ? 
ATOM   919  C  CA  . GLN   A 1 108 ? -20.704 -5.852  11.234  1.000 15.055 0 220 GLN   A CA  1 ? 
ATOM   920  C  C   . GLN   A 1 108 ? -21.203 -5.358  9.879   1.000 14.106 0 220 GLN   A C   1 ? 
ATOM   921  O  O   . GLN   A 1 108 ? -22.113 -4.535  9.817   1.000 14.752 0 220 GLN   A O   1 ? 
ATOM   922  C  CB  . GLN   A 1 108 ? -21.544 -7.043  11.695  1.000 17.151 0 220 GLN   A CB  1 ? 
ATOM   923  C  CG  . GLN   A 1 108 ? -21.131 -7.612  13.050  1.000 20.097 0 220 GLN   A CG  1 ? 
ATOM   924  C  CD  . GLN   A 1 108 ? -21.951 -8.810  13.480  1.000 22.080 0 220 GLN   A CD  1 ? 
ATOM   925  O  OE1 . GLN   A 1 108 ? -21.670 -9.443  14.502  1.000 24.679 0 220 GLN   A OE1 1 ? 
ATOM   926  N  NE2 . GLN   A 1 108 ? -22.971 -9.141  12.701  1.000 22.830 0 220 GLN   A NE2 1 ? 
ATOM   927  N  N   . TYR   A 1 109 ? -20.589 -5.862  8.802   1.000 12.749 0 221 TYR   A N   1 ? 
ATOM   928  C  CA  . TYR   A 1 109 ? -20.970 -5.496  7.446   1.000 11.734 0 221 TYR   A CA  1 ? 
ATOM   929  C  C   . TYR   A 1 109 ? -21.120 -6.773  6.622   1.000 11.600 0 221 TYR   A C   1 ? 
ATOM   930  O  O   . TYR   A 1 109 ? -20.143 -7.483  6.400   1.000 11.012 0 221 TYR   A O   1 ? 
ATOM   931  C  CB  . TYR   A 1 109 ? -19.907 -4.558  6.864   1.000 11.091 0 221 TYR   A CB  1 ? 
ATOM   932  C  CG  . TYR   A 1 109 ? -20.244 -3.939  5.514   1.000 10.350 0 221 TYR   A CG  1 ? 
ATOM   933  C  CD1 . TYR   A 1 109 ? -20.947 -2.741  5.435   1.000 10.088 0 221 TYR   A CD1 1 ? 
ATOM   934  C  CD2 . TYR   A 1 109 ? -19.849 -4.542  4.322   1.000 9.942  0 221 TYR   A CD2 1 ? 
ATOM   935  C  CE1 . TYR   A 1 109 ? -21.255 -2.163  4.213   1.000 9.927  0 221 TYR   A CE1 1 ? 
ATOM   936  C  CE2 . TYR   A 1 109 ? -20.152 -3.975  3.095   1.000 9.884  0 221 TYR   A CE2 1 ? 
ATOM   937  C  CZ  . TYR   A 1 109 ? -20.854 -2.781  3.041   1.000 9.947  0 221 TYR   A CZ  1 ? 
ATOM   938  O  OH  . TYR   A 1 109 ? -21.145 -2.213  1.836   1.000 9.911  0 221 TYR   A OH  1 ? 
ATOM   939  N  N   . ASN   A 1 110 ? -22.356 -7.059  6.192   1.000 12.315 0 222 ASN   A N   1 ? 
ATOM   940  C  CA  . ASN   A 1 110 ? -22.667 -8.264  5.436   1.000 12.674 0 222 ASN   A CA  1 ? 
ATOM   941  C  C   . ASN   A 1 110 ? -21.930 -8.231  4.097   1.000 12.270 0 222 ASN   A C   1 ? 
ATOM   942  O  O   . ASN   A 1 110 ? -21.846 -7.182  3.461   1.000 11.916 0 222 ASN   A O   1 ? 
ATOM   943  C  CB  . ASN   A 1 110 ? -24.172 -8.428  5.241   1.000 14.465 0 222 ASN   A CB  1 ? 
ATOM   944  C  CG  . ASN   A 1 110 ? -24.923 -8.702  6.525   1.000 16.276 0 222 ASN   A CG  1 ? 
ATOM   945  O  OD1 . ASN   A 1 110 ? -26.137 -8.475  6.595   1.000 18.447 0 222 ASN   A OD1 1 ? 
ATOM   946  N  ND2 . ASN   A 1 110 ? -24.236 -9.169  7.557   1.000 16.901 0 222 ASN   A ND2 1 ? 
ATOM   947  N  N   . HIS   A 1 111 ? -21.400 -9.391  3.684   1.000 11.659 0 223 HIS   A N   1 ? 
ATOM   948  C  CA  . HIS   A 1 111 ? -20.684 -9.526  2.425   1.000 11.450 0 223 HIS   A CA  1 ? 
ATOM   949  C  C   . HIS   A 1 111 ? -21.644 -9.319  1.257   1.000 11.726 0 223 HIS   A C   1 ? 
ATOM   950  O  O   . HIS   A 1 111 ? -22.565 -10.111 1.058   1.000 11.884 0 223 HIS   A O   1 ? 
ATOM   951  C  CB  . HIS   A 1 111 ? -20.042 -10.912 2.302   1.000 11.011 0 223 HIS   A CB  1 ? 
ATOM   952  C  CG  . HIS   A 1 111 ? -18.933 -11.169 3.266   1.000 10.903 0 223 HIS   A CG  1 ? 
ATOM   953  N  ND1 . HIS   A 1 111 ? -17.896 -10.287 3.482   1.000 10.833 0 223 HIS   A ND1 1 ? 
ATOM   954  C  CD2 . HIS   A 1 111 ? -18.694 -12.228 4.046   1.000 10.816 0 223 HIS   A CD2 1 ? 
ATOM   955  C  CE1 . HIS   A 1 111 ? -17.065 -10.805 4.374   1.000 10.699 0 223 HIS   A CE1 1 ? 
ATOM   956  N  NE2 . HIS   A 1 111 ? -17.536 -11.985 4.734   1.000 10.915 0 223 HIS   A NE2 1 ? 
ATOM   957  N  N   . ARG   A 1 112 ? -21.403 -8.249  0.492   1.000 11.768 0 224 ARG   A N   1 ? 
ATOM   958  C  CA  . ARG   A 1 112 ? -22.142 -7.969  -0.729  1.000 12.000 0 224 ARG   A CA  1 ? 
ATOM   959  C  C   . ARG   A 1 112 ? -21.390 -8.587  -1.904  1.000 12.612 0 224 ARG   A C   1 ? 
ATOM   960  O  O   . ARG   A 1 112 ? -21.995 -9.235  -2.751  1.000 13.129 0 224 ARG   A O   1 ? 
ATOM   961  C  CB  . ARG   A 1 112 ? -22.338 -6.462  -0.927  1.000 11.623 0 224 ARG   A CB  1 ? 
ATOM   962  C  CG  . ARG   A 1 112 ? -23.087 -5.793  0.216   1.000 11.660 0 224 ARG   A CG  1 ? 
ATOM   963  C  CD  . ARG   A 1 112 ? -23.375 -4.341  -0.109  1.000 11.783 0 224 ARG   A CD  1 ? 
ATOM   964  N  NE  . ARG   A 1 112 ? -23.854 -3.602  1.065   1.000 12.017 0 224 ARG   A NE  1 ? 
ATOM   965  C  CZ  . ARG   A 1 112 ? -24.021 -2.286  1.119   1.000 12.043 0 224 ARG   A CZ  1 ? 
ATOM   966  N  NH1 . ARG   A 1 112 ? -23.803 -1.536  0.050   1.000 12.190 0 224 ARG   A NH1 1 ? 
ATOM   967  N  NH2 . ARG   A 1 112 ? -24.405 -1.722  2.249   1.000 12.397 0 224 ARG   A NH2 1 ? 
ATOM   968  N  N   . VAL   A 1 113 ? -20.069 -8.373  -1.931  1.000 13.009 0 225 VAL   A N   1 ? 
ATOM   969  C  CA  . VAL   A 1 113 ? -19.175 -9.093  -2.823  1.000 13.809 0 225 VAL   A CA  1 ? 
ATOM   970  C  C   . VAL   A 1 113 ? -18.937 -10.479 -2.227  1.000 14.391 0 225 VAL   A C   1 ? 
ATOM   971  O  O   . VAL   A 1 113 ? -18.486 -10.604 -1.091  1.000 14.287 0 225 VAL   A O   1 ? 
ATOM   972  C  CB  . VAL   A 1 113 ? -17.862 -8.314  -3.043  1.000 13.970 0 225 VAL   A CB  1 ? 
ATOM   973  C  CG1 . VAL   A 1 113 ? -16.825 -9.135  -3.793  1.000 14.259 0 225 VAL   A CG1 1 ? 
ATOM   974  C  CG2 . VAL   A 1 113 ? -18.106 -6.993  -3.766  1.000 14.088 0 225 VAL   A CG2 1 ? 
ATOM   975  N  N   . LYS   A 1 114 ? -19.249 -11.517 -3.013  1.000 14.969 0 226 LYS   A N   1 ? 
ATOM   976  C  CA  . LYS   A 1 114 ? -19.328 -12.879 -2.509  1.000 15.942 0 226 LYS   A CA  1 ? 
ATOM   977  C  C   . LYS   A 1 114 ? -17.983 -13.592 -2.635  1.000 16.532 0 226 LYS   A C   1 ? 
ATOM   978  O  O   . LYS   A 1 114 ? -17.714 -14.529 -1.887  1.000 17.645 0 226 LYS   A O   1 ? 
ATOM   979  C  CB  . LYS   A 1 114 ? -20.428 -13.644 -3.254  1.000 16.242 0 226 LYS   A CB  1 ? 
ATOM   980  C  CG  . LYS   A 1 114 ? -21.811 -12.998 -3.260  1.000 16.607 0 226 LYS   A CG  1 ? 
ATOM   981  C  CD  . LYS   A 1 114 ? -22.382 -12.692 -1.882  1.000 17.040 0 226 LYS   A CD  1 ? 
ATOM   982  C  CE  . LYS   A 1 114 ? -23.751 -12.101 -1.937  1.000 17.006 0 226 LYS   A CE  1 ? 
ATOM   983  N  NZ  . LYS   A 1 114 ? -24.136 -11.615 -0.610  1.000 17.160 0 226 LYS   A NZ  1 ? 
ATOM   984  N  N   . LYS   A 1 115 ? -17.149 -13.144 -3.583  1.000 16.499 0 227 LYS   A N   1 ? 
ATOM   985  C  CA  . LYS   A 1 115 ? -15.901 -13.821 -3.899  1.000 16.637 0 227 LYS   A CA  1 ? 
ATOM   986  C  C   . LYS   A 1 115 ? -14.790 -13.322 -2.981  1.000 15.893 0 227 LYS   A C   1 ? 
ATOM   987  O  O   . LYS   A 1 115 ? -13.978 -12.488 -3.383  1.000 15.955 0 227 LYS   A O   1 ? 
ATOM   988  C  CB  . LYS   A 1 115 ? -15.519 -13.672 -5.378  1.000 18.129 0 227 LYS   A CB  1 ? 
ATOM   989  C  CG  . LYS   A 1 115 ? -16.306 -14.540 -6.350  1.000 19.541 0 227 LYS   A CG  1 ? 
ATOM   990  C  CD  . LYS   A 1 115 ? -15.559 -14.738 -7.663  1.000 21.048 0 227 LYS   A CD  1 ? 
ATOM   991  C  CE  . LYS   A 1 115 ? -16.335 -15.462 -8.715  1.000 21.910 0 227 LYS   A CE  1 ? 
ATOM   992  N  NZ  . LYS   A 1 115 ? -17.372 -14.617 -9.314  1.000 23.196 0 227 LYS   A NZ  1 ? 
ATOM   993  N  N   . LEU   A 1 116 ? -14.748 -13.870 -1.759  1.000 15.015 0 228 LEU   A N   1 ? 
ATOM   994  C  CA  . LEU   A 1 116 ? -13.787 -13.453 -0.747  1.000 14.569 0 228 LEU   A CA  1 ? 
ATOM   995  C  C   . LEU   A 1 116 ? -12.358 -13.691 -1.231  1.000 14.657 0 228 LEU   A C   1 ? 
ATOM   996  O  O   . LEU   A 1 116 ? -11.464 -12.917 -0.902  1.000 13.851 0 228 LEU   A O   1 ? 
ATOM   997  C  CB  . LEU   A 1 116 ? -14.012 -14.103 0.620   1.000 14.619 0 228 LEU   A CB  1 ? 
ATOM   998  C  CG  . LEU   A 1 116 ? -15.372 -13.879 1.288   1.000 14.611 0 228 LEU   A CG  1 ? 
ATOM   999  C  CD1 . LEU   A 1 116 ? -15.336 -14.528 2.659   1.000 14.376 0 228 LEU   A CD1 1 ? 
ATOM   1000 C  CD2 . LEU   A 1 116 ? -15.761 -12.418 1.415   1.000 14.786 0 228 LEU   A CD2 1 ? 
ATOM   1001 N  N   . ASN   A 1 117 ? -12.152 -14.761 -2.009  1.000 15.458 0 229 ASN   A N   1 ? 
ATOM   1002 C  CA  . ASN   A 1 117 ? -10.811 -15.150 -2.419  1.000 16.328 0 229 ASN   A CA  1 ? 
ATOM   1003 C  C   . ASN   A 1 117 ? -10.289 -14.232 -3.525  1.000 15.901 0 229 ASN   A C   1 ? 
ATOM   1004 O  O   . ASN   A 1 117 ? -9.164  -14.406 -3.989  1.000 16.283 0 229 ASN   A O   1 ? 
ATOM   1005 C  CB  . ASN   A 1 117 ? -10.713 -16.637 -2.756  1.000 17.892 0 229 ASN   A CB  1 ? 
ATOM   1006 C  CG  . ASN   A 1 117 ? -11.586 -17.048 -3.918  1.000 19.587 0 229 ASN   A CG  1 ? 
ATOM   1007 O  OD1 . ASN   A 1 117 ? -12.436 -16.275 -4.374  1.000 21.087 0 229 ASN   A OD1 1 ? 
ATOM   1008 N  ND2 . ASN   A 1 117 ? -11.407 -18.271 -4.398  1.000 21.040 0 229 ASN   A ND2 1 ? 
ATOM   1009 N  N   . GLU   A 1 118 ? -11.100 -13.245 -3.925  1.000 15.197 0 230 GLU   A N   1 ? 
ATOM   1010 C  CA  . GLU   A 1 118 ? -10.710 -12.306 -4.965  1.000 14.500 0 230 GLU   A CA  1 ? 
ATOM   1011 C  C   . GLU   A 1 118 ? -10.532 -10.900 -4.391  1.000 13.755 0 230 GLU   A C   1 ? 
ATOM   1012 O  O   . GLU   A 1 118 ? -10.189 -9.971  -5.125  1.000 13.206 0 230 GLU   A O   1 ? 
ATOM   1013 C  CB  . GLU   A 1 118 ? -11.703 -12.309 -6.127  1.000 15.194 0 230 GLU   A CB  1 ? 
ATOM   1014 C  CG  . GLU   A 1 118 ? -11.602 -13.566 -6.988  1.000 16.215 0 230 GLU   A CG  1 ? 
ATOM   1015 C  CD  . GLU   A 1 118 ? -12.406 -13.585 -8.275  1.000 16.672 0 230 GLU   A CD  1 ? 
ATOM   1016 O  OE1 . GLU   A 1 118 ? -13.016 -12.561 -8.653  1.000 17.287 0 230 GLU   A OE1 1 ? 
ATOM   1017 O  OE2 . GLU   A 1 118 ? -12.427 -14.664 -8.902  1.000 17.616 0 230 GLU   A OE2 1 ? 
ATOM   1018 N  N   . ILE   A 1 119 ? -10.761 -10.754 -3.078  1.000 12.958 0 231 ILE   A N   1 ? 
ATOM   1019 C  CA  . ILE   A 1 119 ? -10.593 -9.475  -2.402  1.000 12.381 0 231 ILE   A CA  1 ? 
ATOM   1020 C  C   . ILE   A 1 119 ? -9.138  -9.381  -1.943  1.000 12.469 0 231 ILE   A C   1 ? 
ATOM   1021 O  O   . ILE   A 1 119 ? -8.810  -9.742  -0.814  1.000 12.726 0 231 ILE   A O   1 ? 
ATOM   1022 C  CB  . ILE   A 1 119 ? -11.604 -9.325  -1.245  1.000 11.950 0 231 ILE   A CB  1 ? 
ATOM   1023 C  CG1 . ILE   A 1 119 ? -13.046 -9.519  -1.740  1.000 11.899 0 231 ILE   A CG1 1 ? 
ATOM   1024 C  CG2 . ILE   A 1 119 ? -11.429 -7.986  -0.521  1.000 11.914 0 231 ILE   A CG2 1 ? 
ATOM   1025 C  CD1 . ILE   A 1 119 ? -14.096 -9.603  -0.642  1.000 11.986 0 231 ILE   A CD1 1 ? 
ATOM   1026 N  N   . SER   A 1 120 ? -8.275  -8.872  -2.832  1.000 12.523 0 232 SER   A N   1 ? 
ATOM   1027 C  CA  . SER   A 1 120 ? -6.853  -9.173  -2.776  1.000 12.864 0 232 SER   A CA  1 ? 
ATOM   1028 C  C   . SER   A 1 120 ? -5.992  -7.965  -2.409  1.000 12.917 0 232 SER   A C   1 ? 
ATOM   1029 O  O   . SER   A 1 120 ? -4.767  -8.070  -2.435  1.000 12.936 0 232 SER   A O   1 ? 
ATOM   1030 C  CB  . SER   A 1 120 ? -6.391  -9.805  -4.064  1.000 13.161 0 232 SER   A CB  1 ? 
ATOM   1031 O  OG  . SER   A 1 120 ? -7.163  -10.967 -4.328  1.000 13.775 0 232 SER   A OG  1 ? 
ATOM   1032 N  N   . LYS   A 1 121 ? -6.623  -6.835  -2.063  1.000 12.901 0 233 LYS   A N   1 ? 
ATOM   1033 C  CA  . LYS   A 1 121 ? -5.886  -5.664  -1.608  1.000 12.925 0 233 LYS   A CA  1 ? 
ATOM   1034 C  C   . LYS   A 1 121 ? -6.700  -4.929  -0.547  1.000 12.227 0 233 LYS   A C   1 ? 
ATOM   1035 O  O   . LYS   A 1 121 ? -7.924  -4.857  -0.643  1.000 11.788 0 233 LYS   A O   1 ? 
ATOM   1036 C  CB  . LYS   A 1 121 ? -5.609  -4.654  -2.729  1.000 14.226 0 233 LYS   A CB  1 ? 
ATOM   1037 C  CG  . LYS   A 1 121 ? -4.718  -5.082  -3.893  1.000 16.106 0 233 LYS   A CG  1 ? 
ATOM   1038 C  CD  . LYS   A 1 121 ? -4.267  -3.862  -4.691  1.000 17.369 0 233 LYS   A CD  1 ? 
ATOM   1039 C  CE  . LYS   A 1 121 ? -3.823  -4.138  -6.097  1.000 19.115 0 233 LYS   A CE  1 ? 
ATOM   1040 N  NZ  . LYS   A 1 121 ? -4.959  -4.350  -7.002  1.000 20.791 0 233 LYS   A NZ  1 ? 
ATOM   1041 N  N   . LEU   A 1 122 ? -5.998  -4.392  0.460   1.000 11.981 0 234 LEU   A N   1 ? 
ATOM   1042 C  CA  . LEU   A 1 122 ? -6.597  -3.498  1.440   1.000 11.808 0 234 LEU   A CA  1 ? 
ATOM   1043 C  C   . LEU   A 1 122 ? -5.926  -2.129  1.358   1.000 11.323 0 234 LEU   A C   1 ? 
ATOM   1044 O  O   . LEU   A 1 122 ? -4.762  -1.978  1.720   1.000 11.180 0 234 LEU   A O   1 ? 
ATOM   1045 C  CB  . LEU   A 1 122 ? -6.524  -4.076  2.854   1.000 11.952 0 234 LEU   A CB  1 ? 
ATOM   1046 C  CG  . LEU   A 1 122 ? -6.926  -3.126  3.992   1.000 12.283 0 234 LEU   A CG  1 ? 
ATOM   1047 C  CD1 . LEU   A 1 122 ? -8.372  -2.651  3.909   1.000 12.758 0 234 LEU   A CD1 1 ? 
ATOM   1048 C  CD2 . LEU   A 1 122 ? -6.654  -3.767  5.340   1.000 12.823 0 234 LEU   A CD2 1 ? 
ATOM   1049 N  N   . GLY   A 1 123 ? -6.693  -1.134  0.900   1.000 11.323 0 235 GLY   A N   1 ? 
ATOM   1050 C  CA  . GLY   A 1 123 ? -6.236  0.244   0.828   1.000 11.506 0 235 GLY   A CA  1 ? 
ATOM   1051 C  C   . GLY   A 1 123 ? -6.466  0.958   2.157   1.000 11.480 0 235 GLY   A C   1 ? 
ATOM   1052 O  O   . GLY   A 1 123 ? -7.533  0.826   2.754   1.000 11.413 0 235 GLY   A O   1 ? 
ATOM   1053 N  N   . ILE   A 1 124 ? -5.442  1.689   2.617   1.000 11.794 0 236 ILE   A N   1 ? 
ATOM   1054 C  CA  . ILE   A 1 124 ? -5.496  2.459   3.850   1.000 11.860 0 236 ILE   A CA  1 ? 
ATOM   1055 C  C   . ILE   A 1 124 ? -5.133  3.905   3.522   1.000 11.865 0 236 ILE   A C   1 ? 
ATOM   1056 O  O   . ILE   A 1 124 ? -4.039  4.177   3.030   1.000 11.893 0 236 ILE   A O   1 ? 
ATOM   1057 C  CB  . ILE   A 1 124 ? -4.549  1.861   4.910   1.000 12.082 0 236 ILE   A CB  1 ? 
ATOM   1058 C  CG1 . ILE   A 1 124 ? -4.878  0.397   5.206   1.000 12.413 0 236 ILE   A CG1 1 ? 
ATOM   1059 C  CG2 . ILE   A 1 124 ? -4.541  2.704   6.187   1.000 12.283 0 236 ILE   A CG2 1 ? 
ATOM   1060 C  CD1 . ILE   A 1 124 ? -3.770  -0.354  5.921   1.000 12.526 0 236 ILE   A CD1 1 ? 
ATOM   1061 N  N   . SER   A 1 125 ? -6.060  4.826   3.805   1.000 11.983 0 237 SER   A N   1 ? 
ATOM   1062 C  CA  . SER   A 1 125 ? -5.869  6.224   3.456   1.000 12.269 0 237 SER   A CA  1 ? 
ATOM   1063 C  C   . SER   A 1 125 ? -6.514  7.141   4.491   1.000 12.242 0 237 SER   A C   1 ? 
ATOM   1064 O  O   . SER   A 1 125 ? -7.171  6.685   5.425   1.000 11.974 0 237 SER   A O   1 ? 
ATOM   1065 C  CB  . SER   A 1 125 ? -6.393  6.510   2.069   1.000 12.719 0 237 SER   A CB  1 ? 
ATOM   1066 O  OG  . SER   A 1 125 ? -7.782  6.222   1.983   1.000 13.654 0 237 SER   A OG  1 ? 
ATOM   1067 N  N   . GLY   A 1 126 ? -6.308  8.448   4.310   1.000 12.582 0 238 GLY   A N   1 ? 
ATOM   1068 C  CA  . GLY   A 1 126 ? -6.944  9.438   5.159   1.000 12.949 0 238 GLY   A CA  1 ? 
ATOM   1069 C  C   . GLY   A 1 126 ? -5.964  10.105  6.118   1.000 13.041 0 238 GLY   A C   1 ? 
ATOM   1070 O  O   . GLY   A 1 126 ? -4.749  10.040  5.942   1.000 12.777 0 238 GLY   A O   1 ? 
ATOM   1071 N  N   . ASP   A 1 127 ? -6.531  10.731  7.150   1.000 13.681 0 239 ASP   A N   1 ? 
ATOM   1072 C  CA  . ASP   A 1 127 ? -5.796  11.638  8.013   1.000 14.284 0 239 ASP   A CA  1 ? 
ATOM   1073 C  C   . ASP   A 1 127 ? -5.212  10.861  9.190   1.000 14.539 0 239 ASP   A C   1 ? 
ATOM   1074 O  O   . ASP   A 1 127 ? -5.607  11.074  10.334  1.000 14.619 0 239 ASP   A O   1 ? 
ATOM   1075 C  CB  . ASP   A 1 127 ? -6.660  12.831  8.395   1.000 15.160 0 239 ASP   A CB  1 ? 
ATOM   1076 C  CG  . ASP   A 1 127 ? -7.248  13.610  7.225   1.000 15.936 0 239 ASP   A CG  1 ? 
ATOM   1077 O  OD1 . ASP   A 1 127 ? -6.508  13.853  6.247   1.000 16.732 0 239 ASP   A OD1 1 ? 
ATOM   1078 O  OD2 . ASP   A 1 127 ? -8.436  13.988  7.305   1.000 16.638 0 239 ASP   A OD2 1 ? 
ATOM   1079 N  N   . ILE   A 1 128 ? -4.263  9.964   8.888   1.000 14.675 0 240 ILE   A N   1 ? 
ATOM   1080 C  CA  . ILE   A 1 128 ? -3.639  9.129   9.903   1.000 15.185 0 240 ILE   A CA  1 ? 
ATOM   1081 C  C   . ILE   A 1 128 ? -2.129  9.061   9.683   1.000 15.540 0 240 ILE   A C   1 ? 
ATOM   1082 O  O   . ILE   A 1 128 ? -1.632  9.287   8.578   1.000 15.694 0 240 ILE   A O   1 ? 
ATOM   1083 C  CB  . ILE   A 1 128 ? -4.249  7.713   9.924   1.000 15.180 0 240 ILE   A CB  1 ? 
ATOM   1084 C  CG1 . ILE   A 1 128 ? -4.020  6.974   8.603   1.000 15.483 0 240 ILE   A CG1 1 ? 
ATOM   1085 C  CG2 . ILE   A 1 128 ? -5.728  7.746   10.316  1.000 15.614 0 240 ILE   A CG2 1 ? 
ATOM   1086 C  CD1 . ILE   A 1 128 ? -4.241  5.474   8.686   1.000 15.736 0 240 ILE   A CD1 1 ? 
ATOM   1087 N  N   . ASP   A 1 129 ? -1.422  8.742   10.772  1.000 16.422 0 241 ASP   A N   1 ? 
ATOM   1088 C  CA  . ASP   A 1 129 ? -0.074  8.205   10.725  1.000 16.904 0 241 ASP   A CA  1 ? 
ATOM   1089 C  C   . ASP   A 1 129 ? -0.182  6.697   10.909  1.000 15.831 0 241 ASP   A C   1 ? 
ATOM   1090 O  O   . ASP   A 1 129 ? -0.678  6.236   11.934  1.000 15.952 0 241 ASP   A O   1 ? 
ATOM   1091 C  CB  . ASP   A 1 129 ? 0.822   8.852   11.771  1.000 19.875 0 241 ASP   A CB  1 ? 
ATOM   1092 C  CG  . ASP   A 1 129 ? 1.057   10.346  11.589  1.000 22.857 0 241 ASP   A CG  1 ? 
ATOM   1093 O  OD1 . ASP   A 1 129 ? 1.536   10.736  10.503  1.000 24.670 0 241 ASP   A OD1 1 ? 
ATOM   1094 O  OD2 . ASP   A 1 129 ? 0.761   11.110  12.533  1.000 24.459 0 241 ASP   A OD2 1 ? 
ATOM   1095 N  N   . LEU   A 1 130 ? 0.249   5.946   9.891   1.000 14.475 0 242 LEU   A N   1 ? 
ATOM   1096 C  CA  . LEU   A 1 130 ? 0.107   4.499   9.892   1.000 13.879 0 242 LEU   A CA  1 ? 
ATOM   1097 C  C   . LEU   A 1 130 ? 1.338   3.866   10.535  1.000 13.895 0 242 LEU   A C   1 ? 
ATOM   1098 O  O   . LEU   A 1 130 ? 2.457   4.078   10.073  1.000 14.217 0 242 LEU   A O   1 ? 
ATOM   1099 C  CB  . LEU   A 1 130 ? -0.110  4.010   8.460   1.000 13.208 0 242 LEU   A CB  1 ? 
ATOM   1100 C  CG  . LEU   A 1 130 ? -0.277  2.499   8.276   1.000 13.024 0 242 LEU   A CG  1 ? 
ATOM   1101 C  CD1 . LEU   A 1 130 ? -1.505  1.972   9.011   1.000 12.663 0 242 LEU   A CD1 1 ? 
ATOM   1102 C  CD2 . LEU   A 1 130 ? -0.348  2.166   6.792   1.000 12.959 0 242 LEU   A CD2 1 ? 
ATOM   1103 N  N   . THR   A 1 131 ? 1.110   3.077   11.591  1.000 13.869 0 243 THR   A N   1 ? 
ATOM   1104 C  CA  . THR   A 1 131 ? 2.188   2.422   12.315  1.000 14.352 0 243 THR   A CA  1 ? 
ATOM   1105 C  C   . THR   A 1 131 ? 2.421   1.021   11.750  1.000 14.402 0 243 THR   A C   1 ? 
ATOM   1106 O  O   . THR   A 1 131 ? 3.562   0.630   11.517  1.000 14.369 0 243 THR   A O   1 ? 
ATOM   1107 C  CB  . THR   A 1 131 ? 1.886   2.377   13.815  1.000 14.837 0 243 THR   A CB  1 ? 
ATOM   1108 O  OG1 . THR   A 1 131 ? 1.698   3.721   14.240  1.000 15.472 0 243 THR   A OG1 1 ? 
ATOM   1109 C  CG2 . THR   A 1 131 ? 3.020   1.763   14.617  1.000 15.344 0 243 THR   A CG2 1 ? 
ATOM   1110 N  N   . SER   A 1 132 ? 1.332   0.276   11.534  1.000 14.518 0 244 SER   A N   1 ? 
ATOM   1111 C  CA  . SER   A 1 132 ? 1.417   -1.149  11.257  1.000 15.338 0 244 SER   A CA  1 ? 
ATOM   1112 C  C   . SER   A 1 132 ? 0.159   -1.615  10.527  1.000 14.525 0 244 SER   A C   1 ? 
ATOM   1113 O  O   . SER   A 1 132 ? -0.932  -1.126  10.800  1.000 14.184 0 244 SER   A O   1 ? 
ATOM   1114 C  CB  . SER   A 1 132 ? 1.613   -1.918  12.550  1.000 16.395 0 244 SER   A CB  1 ? 
ATOM   1115 O  OG  . SER   A 1 132 ? 1.748   -3.313  12.333  1.000 19.331 0 244 SER   A OG  1 ? 
ATOM   1116 N  N   . ALA   A 1 133 ? 0.333   -2.561  9.598   1.000 14.349 0 245 ALA   A N   1 ? 
ATOM   1117 C  CA  . ALA   A 1 133 ? -0.776  -3.222  8.929   1.000 14.517 0 245 ALA   A CA  1 ? 
ATOM   1118 C  C   . ALA   A 1 133 ? -0.392  -4.671  8.656   1.000 14.817 0 245 ALA   A C   1 ? 
ATOM   1119 O  O   . ALA   A 1 133 ? 0.522   -4.937  7.874   1.000 15.205 0 245 ALA   A O   1 ? 
ATOM   1120 C  CB  . ALA   A 1 133 ? -1.140  -2.489  7.655   1.000 14.431 0 245 ALA   A CB  1 ? 
ATOM   1121 N  N   . SER   A 1 134 ? -1.089  -5.595  9.328   1.000 14.959 0 246 SER   A N   1 ? 
ATOM   1122 C  CA  . SER   A 1 134 ? -0.771  -7.011  9.265   1.000 15.732 0 246 SER   A CA  1 ? 
ATOM   1123 C  C   . SER   A 1 134 ? -2.037  -7.832  9.489   1.000 16.166 0 246 SER   A C   1 ? 
ATOM   1124 O  O   . SER   A 1 134 ? -3.082  -7.287  9.837   1.000 16.188 0 246 SER   A O   1 ? 
ATOM   1125 C  CB  . SER   A 1 134 ? 0.287   -7.370  10.282  1.000 15.730 0 246 SER   A CB  1 ? 
ATOM   1126 O  OG  . SER   A 1 134 ? -0.197  -7.146  11.602  1.000 16.684 0 246 SER   A OG  1 ? 
ATOM   1127 N  N   . TYR   A 1 135 ? -1.927  -9.149  9.283   1.000 16.867 0 247 TYR   A N   1 ? 
ATOM   1128 C  CA  . TYR   A 1 135 ? -3.030  -10.055 9.555   1.000 17.681 0 247 TYR   A CA  1 ? 
ATOM   1129 C  C   . TYR   A 1 135 ? -2.495  -11.373 10.107  1.000 18.177 0 247 TYR   A C   1 ? 
ATOM   1130 O  O   . TYR   A 1 135 ? -1.316  -11.683 9.966   1.000 17.893 0 247 TYR   A O   1 ? 
ATOM   1131 C  CB  . TYR   A 1 135 ? -3.920  -10.270 8.327   1.000 18.087 0 247 TYR   A CB  1 ? 
ATOM   1132 C  CG  . TYR   A 1 135 ? -3.182  -10.769 7.092   1.000 19.150 0 247 TYR   A CG  1 ? 
ATOM   1133 C  CD1 . TYR   A 1 135 ? -2.923  -12.125 6.907   1.000 19.235 0 247 TYR   A CD1 1 ? 
ATOM   1134 C  CD2 . TYR   A 1 135 ? -2.747  -9.882  6.113   1.000 19.277 0 247 TYR   A CD2 1 ? 
ATOM   1135 C  CE1 . TYR   A 1 135 ? -2.250  -12.579 5.783   1.000 20.264 0 247 TYR   A CE1 1 ? 
ATOM   1136 C  CE2 . TYR   A 1 135 ? -2.078  -10.326 4.983   1.000 20.349 0 247 TYR   A CE2 1 ? 
ATOM   1137 C  CZ  . TYR   A 1 135 ? -1.828  -11.678 4.820   1.000 20.490 0 247 TYR   A CZ  1 ? 
ATOM   1138 O  OH  . TYR   A 1 135 ? -1.166  -12.115 3.708   1.000 22.397 0 247 TYR   A OH  1 ? 
ATOM   1139 N  N   . THR   A 1 136 ? -3.391  -12.125 10.752  1.000 18.795 0 248 THR   A N   1 ? 
ATOM   1140 C  CA  . THR   A 1 136 ? -3.108  -13.470 11.218  1.000 20.188 0 248 THR   A CA  1 ? 
ATOM   1141 C  C   . THR   A 1 136 ? -4.372  -14.310 11.067  1.000 20.241 0 248 THR   A C   1 ? 
ATOM   1142 O  O   . THR   A 1 136 ? -5.459  -13.775 10.852  1.000 20.286 0 248 THR   A O   1 ? 
ATOM   1143 C  CB  . THR   A 1 136 ? -2.618  -13.434 12.667  1.000 20.907 0 248 THR   A CB  1 ? 
ATOM   1144 O  OG1 . THR   A 1 136 ? -2.205  -14.771 12.924  1.000 22.747 0 248 THR   A OG1 1 ? 
ATOM   1145 C  CG2 . THR   A 1 136 ? -3.699  -13.030 13.654  1.000 21.458 0 248 THR   A CG2 1 ? 
ATOM   1146 N  N   . MET   A 1 137 ? -4.213  -15.631 11.184  1.000 21.073 0 249 MET   A N   1 ? 
ATOM   1147 C  CA  . MET   A 1 137 ? -5.351  -16.532 11.253  1.000 22.311 0 249 MET   A CA  1 ? 
ATOM   1148 C  C   . MET   A 1 137 ? -5.572  -16.906 12.715  1.000 23.153 0 249 MET   A C   1 ? 
ATOM   1149 O  O   . MET   A 1 137 ? -4.635  -17.319 13.395  1.000 23.679 0 249 MET   A O   1 ? 
ATOM   1150 C  CB  . MET   A 1 137 ? -5.115  -17.792 10.410  1.000 23.047 0 249 MET   A CB  1 ? 
ATOM   1151 C  CG  . MET   A 1 137 ? -4.831  -17.506 8.949   1.000 24.157 0 249 MET   A CG  1 ? 
ATOM   1152 S  SD  . MET   A 1 137 ? -6.232  -16.729 8.120   1.000 24.946 0 249 MET   A SD  1 ? 
ATOM   1153 C  CE  . MET   A 1 137 ? -5.472  -16.341 6.538   1.000 24.984 0 249 MET   A CE  1 ? 
ATOM   1154 N  N   . ILE   A 1 138 ? -6.814  -16.741 13.186  1.000 23.799 0 250 ILE   A N   1 ? 
ATOM   1155 C  CA  . ILE   A 1 138 ? -7.149  -17.002 14.578  1.000 25.078 0 250 ILE   A CA  1 ? 
ATOM   1156 C  C   . ILE   A 1 138 ? -7.558  -18.476 14.748  1.000 26.005 0 250 ILE   A C   1 ? 
ATOM   1157 O  O   . ILE   A 1 138 ? -7.433  -18.967 15.895  1.000 27.417 0 250 ILE   A O   1 ? 
ATOM   1158 C  CB  . ILE   A 1 138 ? -8.229  -16.036 15.103  1.000 25.293 0 250 ILE   A CB  1 ? 
ATOM   1159 C  CG1 . ILE   A 1 138 ? -9.571  -16.216 14.381  1.000 25.848 0 250 ILE   A CG1 1 ? 
ATOM   1160 C  CG2 . ILE   A 1 138 ? -7.737  -14.589 15.055  1.000 25.914 0 250 ILE   A CG2 1 ? 
ATOM   1161 C  CD1 . ILE   A 1 138 ? -10.765 -15.642 15.123  1.000 25.767 0 250 ILE   A CD1 1 ? 
ATOM   1162 O  OXT . ILE   A 1 138 ? -7.988  -19.082 13.737  1.000 25.833 0 250 ILE   A OXT 1 ? 
HETATM 1163 N  N1  . A1H2T B 2 .   ? -22.714 8.429   -2.817  1.000 17.657 0 301 A1H2T A N1  1 ? 
HETATM 1164 N  N3  . A1H2T B 2 .   ? -21.234 9.136   -4.141  1.000 18.329 0 301 A1H2T A N3  1 ? 
HETATM 1165 C  C4  . A1H2T B 2 .   ? -19.138 9.018   -2.694  1.000 16.711 0 301 A1H2T A C4  1 ? 
HETATM 1166 C  C5  . A1H2T B 2 .   ? -20.614 8.855   -2.969  1.000 17.252 0 301 A1H2T A C5  1 ? 
HETATM 1167 C  C6  . A1H2T B 2 .   ? -21.585 8.384   -2.109  1.000 17.427 0 301 A1H2T A C6  1 ? 
HETATM 1168 C  C7  . A1H2T B 2 .   ? -24.119 8.080   -2.522  1.000 17.453 0 301 A1H2T A C7  1 ? 
HETATM 1169 C  C8  . A1H2T B 2 .   ? -24.560 8.730   -1.211  1.000 17.302 0 301 A1H2T A C8  1 ? 
HETATM 1170 C  C10 . A1H2T B 2 .   ? -25.722 6.208   -2.074  1.000 18.014 0 301 A1H2T A C10 1 ? 
HETATM 1171 C  C13 . A1H2T B 2 .   ? -19.361 6.044   0.556   1.000 14.006 0 301 A1H2T A C13 1 ? 
HETATM 1172 C  C15 . A1H2T B 2 .   ? -16.597 8.134   -1.144  1.000 15.194 0 301 A1H2T A C15 1 ? 
HETATM 1173 C  C17 . A1H2T B 2 .   ? -11.789 8.844   0.160   1.000 17.628 0 301 A1H2T A C17 1 ? 
HETATM 1174 C  C20 . A1H2T B 2 .   ? -9.371  9.426   1.366   1.000 19.532 0 301 A1H2T A C20 1 ? 
HETATM 1175 C  C21 . A1H2T B 2 .   ? -10.469 9.090   2.146   1.000 18.709 0 301 A1H2T A C21 1 ? 
HETATM 1176 C  C22 . A1H2T B 2 .   ? -11.680 8.798   1.541   1.000 18.004 0 301 A1H2T A C22 1 ? 
HETATM 1177 C  C1  . A1H2T B 2 .   ? -16.770 11.761  -1.478  1.000 16.595 0 301 A1H2T A C1  1 ? 
HETATM 1178 O  O1  . A1H2T B 2 .   ? -16.758 10.408  -1.943  1.000 15.980 0 301 A1H2T A O1  1 ? 
HETATM 1179 C  C2  . A1H2T B 2 .   ? -17.307 9.480   -1.005  1.000 15.624 0 301 A1H2T A C2  1 ? 
HETATM 1180 C  C3  . A1H2T B 2 .   ? -18.817 9.329   -1.220  1.000 15.677 0 301 A1H2T A C3  1 ? 
HETATM 1181 C  C9  . A1H2T B 2 .   ? -25.973 8.286   -0.842  1.000 17.650 0 301 A1H2T A C9  1 ? 
HETATM 1182 O  O2  . A1H2T B 2 .   ? -26.046 6.853   -0.837  1.000 18.064 0 301 A1H2T A O2  1 ? 
HETATM 1183 C  C11 . A1H2T B 2 .   ? -24.290 6.565   -2.473  1.000 17.779 0 301 A1H2T A C11 1 ? 
HETATM 1184 F  F1  . A1H2T B 2 .   ? -23.416 6.062   -1.537  1.000 17.160 0 301 A1H2T A F1  1 ? 
HETATM 1185 N  N2  . A1H2T B 2 .   ? -22.513 8.872   -4.025  1.000 18.393 0 301 A1H2T A N2  1 ? 
HETATM 1186 O  O3  . A1H2T B 2 .   ? -19.314 8.295   -0.348  1.000 15.218 0 301 A1H2T A O3  1 ? 
HETATM 1187 C  C12 . A1H2T B 2 .   ? -18.701 6.992   -0.428  1.000 14.377 0 301 A1H2T A C12 1 ? 
HETATM 1188 O  O4  . A1H2T B 2 .   ? -20.712 5.828   0.143   1.000 13.232 0 301 A1H2T A O4  1 ? 
HETATM 1189 C  C14 . A1H2T B 2 .   ? -17.191 7.081   -0.211  1.000 14.422 0 301 A1H2T A C14 1 ? 
HETATM 1190 O  O5  . A1H2T B 2 .   ? -16.897 7.421   1.154   1.000 13.914 0 301 A1H2T A O5  1 ? 
HETATM 1191 N  N4  . A1H2T B 2 .   ? -15.137 8.269   -0.975  1.000 15.934 0 301 A1H2T A N4  1 ? 
HETATM 1192 N  N5  . A1H2T B 2 .   ? -14.469 7.965   -2.048  1.000 16.029 0 301 A1H2T A N5  1 ? 
HETATM 1193 N  N6  . A1H2T B 2 .   ? -13.204 8.125   -1.783  1.000 16.874 0 301 A1H2T A N6  1 ? 
HETATM 1194 C  C16 . A1H2T B 2 .   ? -13.082 8.540   -0.506  1.000 16.732 0 301 A1H2T A C16 1 ? 
HETATM 1195 C  C18 . A1H2T B 2 .   ? -10.694 9.184   -0.623  1.000 18.332 0 301 A1H2T A C18 1 ? 
HETATM 1196 C  C19 . A1H2T B 2 .   ? -9.480  9.473   -0.016  1.000 19.147 0 301 A1H2T A C19 1 ? 
HETATM 1197 CL CL1 . A1H2T B 2 .   ? -7.789  9.811   2.131   0.500 21.968 0 301 A1H2T A CL1 1 ? 
HETATM 1198 F  F2  . A1H2T B 2 .   ? -10.385 9.024   3.533   1.000 18.920 0 301 A1H2T A F2  1 ? 
HETATM 1199 F  F3  . A1H2T B 2 .   ? -12.774 8.464   2.336   1.000 17.775 0 301 A1H2T A F3  1 ? 
HETATM 1200 C  C23 . A1H2T B 2 .   ? -14.348 8.644   0.023   1.000 16.125 0 301 A1H2T A C23 1 ? 
HETATM 1201 S  S   . SCN   C 3 .   ? -23.839 -2.551  -3.306  1.000 21.195 0 302 SCN   A S   1 ? 
HETATM 1202 C  C   . SCN   C 3 .   ? -25.278 -1.994  -2.969  1.000 21.599 0 302 SCN   A C   1 ? 
HETATM 1203 N  N   . SCN   C 3 .   ? -26.312 -1.562  -2.698  1.000 21.037 0 302 SCN   A N   1 ? 
HETATM 1204 S  S   . SCN   D 3 .   ? -9.507  6.606   25.515  1.000 24.127 0 303 SCN   A S   1 ? 
HETATM 1205 C  C   . SCN   D 3 .   ? -10.078 7.505   24.350  1.000 23.790 0 303 SCN   A C   1 ? 
HETATM 1206 N  N   . SCN   D 3 .   ? -10.517 8.138   23.494  1.000 23.653 0 303 SCN   A N   1 ? 
HETATM 1207 S  S   . SCN   E 3 .   ? -3.742  -9.472  13.304  1.000 40.688 0 304 SCN   A S   1 ? 
HETATM 1208 C  C   . SCN   E 3 .   ? -2.201  -9.505  12.978  1.000 40.460 0 304 SCN   A C   1 ? 
HETATM 1209 N  N   . SCN   E 3 .   ? -1.085  -9.530  12.702  1.000 39.451 0 304 SCN   A N   1 ? 
HETATM 1210 S  S   . SCN   F 3 .   ? -27.694 -3.494  0.936   1.000 54.913 0 305 SCN   A S   1 ? 
HETATM 1211 C  C   . SCN   F 3 .   ? -27.995 -3.359  2.477   1.000 52.881 0 305 SCN   A C   1 ? 
HETATM 1212 N  N   . SCN   F 3 .   ? -28.182 -3.255  3.607   1.000 50.917 0 305 SCN   A N   1 ? 
HETATM 1213 C  C1  . MLI   G 4 .   ? -14.091 8.130   -10.632 1.000 47.754 0 306 MLI   A C1  1 ? 
HETATM 1214 C  C2  . MLI   G 4 .   ? -13.090 7.671   -11.688 1.000 46.718 0 306 MLI   A C2  1 ? 
HETATM 1215 C  C3  . MLI   G 4 .   ? -14.105 7.178   -9.440  1.000 48.734 0 306 MLI   A C3  1 ? 
HETATM 1216 O  O6  . MLI   G 4 .   ? -13.417 6.731   -12.433 1.000 44.958 0 306 MLI   A O6  1 ? 
HETATM 1217 O  O7  . MLI   G 4 .   ? -11.991 8.255   -11.747 1.000 46.594 0 306 MLI   A O7  1 ? 
HETATM 1218 O  O8  . MLI   G 4 .   ? -15.191 6.665   -9.109  1.000 48.942 0 306 MLI   A O8  1 ? 
HETATM 1219 O  O9  . MLI   G 4 .   ? -13.029 6.958   -8.855  1.000 48.665 0 306 MLI   A O9  1 ? 
HETATM 1220 CL CL  . CL    H 5 .   ? -4.088  9.417   1.887   1.000 33.772 0 307 CL    A CL  1 ? 
HETATM 1221 O  O   . HOH   I 6 .   ? -13.875 14.307  21.590  1.000 19.856 0 401 HOH   A O   1 ? 
HETATM 1222 O  O   . HOH   I 6 .   ? 2.140   7.535   8.334   1.000 25.014 0 402 HOH   A O   1 ? 
HETATM 1223 O  O   . HOH   I 6 .   ? -21.490 10.295  16.559  1.000 22.686 0 403 HOH   A O   1 ? 
HETATM 1224 O  O   . HOH   I 6 .   ? -12.856 3.895   -2.247  1.000 37.127 0 404 HOH   A O   1 ? 
HETATM 1225 O  O   . HOH   I 6 .   ? -23.642 13.530  9.300   1.000 26.394 0 405 HOH   A O   1 ? 
HETATM 1226 O  O   . HOH   I 6 .   ? -8.364  3.494   1.561   1.000 16.604 0 406 HOH   A O   1 ? 
HETATM 1227 O  O   . HOH   I 6 .   ? -11.557 -17.359 0.850   1.000 21.329 0 407 HOH   A O   1 ? 
HETATM 1228 O  O   . HOH   I 6 .   ? -21.946 10.034  1.383   1.000 18.443 0 408 HOH   A O   1 ? 
HETATM 1229 O  O   . HOH   I 6 .   ? -0.606  -4.364  12.587  1.000 17.576 0 409 HOH   A O   1 ? 
HETATM 1230 O  O   . HOH   I 6 .   ? -24.107 -11.421 9.084   1.000 30.129 0 410 HOH   A O   1 ? 
HETATM 1231 O  O   . HOH   I 6 .   ? -18.647 -5.719  -10.776 1.000 26.612 0 411 HOH   A O   1 ? 
HETATM 1232 O  O   . HOH   I 6 .   ? 0.915   7.655   18.696  1.000 32.725 0 412 HOH   A O   1 ? 
HETATM 1233 O  O   . HOH   I 6 .   ? -21.852 -8.524  -5.312  1.000 27.214 0 413 HOH   A O   1 ? 
HETATM 1234 O  O   . HOH   I 6 .   ? -11.670 14.155  18.310  1.000 33.013 0 414 HOH   A O   1 ? 
HETATM 1235 O  O   . HOH   I 6 .   ? -2.877  -8.717  -4.216  1.000 23.647 0 415 HOH   A O   1 ? 
HETATM 1236 O  O   . HOH   I 6 .   ? -24.417 -5.301  6.983   1.000 17.585 0 416 HOH   A O   1 ? 
HETATM 1237 O  O   . HOH   I 6 .   ? -23.679 -5.210  3.511   1.000 15.377 0 417 HOH   A O   1 ? 
HETATM 1238 O  O   . HOH   I 6 .   ? -26.310 -10.023 -0.764  1.000 21.760 0 418 HOH   A O   1 ? 
HETATM 1239 O  O   . HOH   I 6 .   ? -15.428 -1.776  -11.298 1.000 16.979 0 419 HOH   A O   1 ? 
HETATM 1240 O  O   . HOH   I 6 .   ? -27.344 5.064   0.750   1.000 18.974 0 420 HOH   A O   1 ? 
HETATM 1241 O  O   . HOH   I 6 .   ? 2.553   -4.032  6.052   1.000 26.723 0 421 HOH   A O   1 ? 
HETATM 1242 O  O   . HOH   I 6 .   ? -15.547 14.622  7.713   1.000 19.408 0 422 HOH   A O   1 ? 
HETATM 1243 O  O   . HOH   I 6 .   ? -17.228 -7.402  -7.027  1.000 20.158 0 423 HOH   A O   1 ? 
HETATM 1244 O  O   . HOH   I 6 .   ? -18.964 -6.906  0.350   1.000 12.177 0 424 HOH   A O   1 ? 
HETATM 1245 O  O   . HOH   I 6 .   ? -4.582  -12.849 1.768   1.000 31.329 0 425 HOH   A O   1 ? 
HETATM 1246 O  O   . HOH   I 6 .   ? -28.376 4.628   3.454   1.000 19.018 0 426 HOH   A O   1 ? 
HETATM 1247 O  O   . HOH   I 6 .   ? -24.817 -14.661 9.265   1.000 39.926 0 427 HOH   A O   1 ? 
HETATM 1248 O  O   . HOH   I 6 .   ? 3.580   -4.241  1.375   1.000 32.497 0 428 HOH   A O   1 ? 
HETATM 1249 O  O   . HOH   I 6 .   ? -21.257 2.250   9.324   1.000 21.998 0 429 HOH   A O   1 ? 
HETATM 1250 O  O   . HOH   I 6 .   ? -7.516  -18.109 -2.877  1.000 29.681 0 430 HOH   A O   1 ? 
HETATM 1251 O  O   . HOH   I 6 .   ? -16.181 -0.347  -8.635  1.000 14.510 0 431 HOH   A O   1 ? 
HETATM 1252 O  O   . HOH   I 6 .   ? -17.271 -8.971  0.915   1.000 11.853 0 432 HOH   A O   1 ? 
HETATM 1253 O  O   . HOH   I 6 .   ? -22.407 -1.899  8.737   1.000 23.475 0 433 HOH   A O   1 ? 
HETATM 1254 O  O   . HOH   I 6 .   ? -9.627  -3.519  18.085  1.000 10.331 0 434 HOH   A O   1 ? 
HETATM 1255 O  O   . HOH   I 6 .   ? -24.625 -11.780 5.319   1.000 34.785 0 435 HOH   A O   1 ? 
HETATM 1256 O  O   . HOH   I 6 .   ? -23.418 -3.584  12.847  1.000 19.517 0 436 HOH   A O   1 ? 
HETATM 1257 O  O   . HOH   I 6 .   ? -9.894  7.080   20.800  1.000 17.324 0 437 HOH   A O   1 ? 
HETATM 1258 O  O   . HOH   I 6 .   ? 0.607   -9.859  7.854   1.000 31.184 0 438 HOH   A O   1 ? 
HETATM 1259 O  O   . HOH   I 6 .   ? -23.130 -4.793  15.282  1.000 28.350 0 439 HOH   A O   1 ? 
HETATM 1260 O  O   . HOH   I 6 .   ? -21.149 6.463   -7.435  1.000 18.420 0 440 HOH   A O   1 ? 
HETATM 1261 O  O   . HOH   I 6 .   ? -5.188  16.532  9.341   1.000 28.017 0 441 HOH   A O   1 ? 
HETATM 1262 O  O   . HOH   I 6 .   ? -18.405 -18.153 3.776   1.000 25.827 0 442 HOH   A O   1 ? 
HETATM 1263 O  O   . HOH   I 6 .   ? -15.349 10.784  2.819   1.000 15.280 0 443 HOH   A O   1 ? 
HETATM 1264 O  O   . HOH   I 6 .   ? -7.283  12.508  3.528   1.000 37.421 0 444 HOH   A O   1 ? 
HETATM 1265 O  O   . HOH   I 6 .   ? -1.498  2.480   17.486  1.000 20.759 0 445 HOH   A O   1 ? 
HETATM 1266 O  O   . HOH   I 6 .   ? -14.354 -17.067 -1.830  1.000 31.125 0 446 HOH   A O   1 ? 
HETATM 1267 O  O   . HOH   I 6 .   ? -18.732 -11.457 -6.173  1.000 17.952 0 447 HOH   A O   1 ? 
HETATM 1268 O  O   . HOH   I 6 .   ? 3.379   -2.804  8.516   1.000 19.298 0 448 HOH   A O   1 ? 
HETATM 1269 O  O   . HOH   I 6 .   ? -25.819 9.527   9.532   1.000 31.536 0 449 HOH   A O   1 ? 
HETATM 1270 O  O   . HOH   I 6 .   ? -19.905 7.648   20.341  1.000 27.952 0 450 HOH   A O   1 ? 
HETATM 1271 O  O   . HOH   I 6 .   ? -29.029 3.937   -1.922  1.000 24.288 0 451 HOH   A O   1 ? 
HETATM 1272 O  O   . HOH   I 6 .   ? -26.383 -6.213  2.789   1.000 26.266 0 452 HOH   A O   1 ? 
HETATM 1273 O  O   . HOH   I 6 .   ? -17.593 14.474  5.488   1.000 26.114 0 453 HOH   A O   1 ? 
HETATM 1274 O  O   . HOH   I 6 .   ? -19.778 -8.497  -6.793  1.000 22.095 0 454 HOH   A O   1 ? 
HETATM 1275 O  O   . HOH   I 6 .   ? -24.659 11.881  10.948  1.000 24.821 0 455 HOH   A O   1 ? 
HETATM 1276 O  O   . HOH   I 6 .   ? 1.311   -10.100 -2.778  1.000 23.976 0 456 HOH   A O   1 ? 
# 
