data_8ZUV
# 
_entry.id   8ZUV 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.402 
_audit_conform.dict_location   http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic 
# 
loop_
_database_2.database_id 
_database_2.database_code 
_database_2.pdbx_database_accession 
_database_2.pdbx_DOI 
PDB   8ZUV         pdb_00008zuv 10.2210/pdb8zuv/pdb 
WWPDB D_1300046821 ?            ?                   
# 
_pdbx_audit_revision_history.ordinal             1 
_pdbx_audit_revision_history.data_content_type   'Structure model' 
_pdbx_audit_revision_history.major_revision      1 
_pdbx_audit_revision_history.minor_revision      0 
_pdbx_audit_revision_history.revision_date       2025-03-05 
_pdbx_audit_revision_history.part_number         ? 
# 
_pdbx_audit_revision_details.ordinal             1 
_pdbx_audit_revision_details.revision_ordinal    1 
_pdbx_audit_revision_details.data_content_type   'Structure model' 
_pdbx_audit_revision_details.provider            repository 
_pdbx_audit_revision_details.type                'Initial release' 
_pdbx_audit_revision_details.description         ? 
_pdbx_audit_revision_details.details             ? 
# 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.entry_id                        8ZUV 
_pdbx_database_status.recvd_initial_deposition_date   2024-06-10 
_pdbx_database_status.SG_entry                        N 
_pdbx_database_status.deposit_site                    PDBJ 
_pdbx_database_status.process_site                    PDBJ 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.status_code_nmr_data            ? 
_pdbx_database_status.methods_development_category    ? 
_pdbx_database_status.pdb_format_compatible           N 
# 
_pdbx_contact_author.id                 2 
_pdbx_contact_author.email              kaushik.ghosh@bms.com 
_pdbx_contact_author.name_first         Kaushik 
_pdbx_contact_author.name_last          Ghosh 
_pdbx_contact_author.name_mi            ? 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0003-0026-2548 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Amit, K.'   1 ? 
'Swetha, R.' 2 ? 
'Ghosh, K.'  3 ? 
# 
_citation.abstract                  ? 
_citation.abstract_id_CAS           ? 
_citation.book_id_ISBN              ? 
_citation.book_publisher            ? 
_citation.book_publisher_city       ? 
_citation.book_title                ? 
_citation.coordinate_linkage        ? 
_citation.country                   US 
_citation.database_id_Medline       ? 
_citation.details                   ? 
_citation.id                        primary 
_citation.journal_abbrev            J.Med.Chem. 
_citation.journal_id_ASTM           JMCMAR 
_citation.journal_id_CSD            0151 
_citation.journal_id_ISSN           0022-2623 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            67 
_citation.language                  ? 
_citation.page_first                14184 
_citation.page_last                 14199 
_citation.title                     
;Atropisomerism Observed in Galactose-Based Monosaccharide Inhibitors of Galectin-3 Comprising 2-Methyl-4-phenyl-2,4-dihydro-3 H -1,2,4-triazole-3-thione.
;
_citation.year                      2024 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      10.1021/acs.jmedchem.4c01008 
_citation.pdbx_database_id_PubMed   39102502 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Yoon, D.S.'       1  0000-0002-2729-0373 
primary 'Liu, C.'          2  0000-0003-3708-2372 
primary 'Jalagam, P.R.'    3  ?                   
primary 'Feng, J.'         4  ?                   
primary 'Wang, W.'         5  ?                   
primary 'Swidorski, J.J.'  6  ?                   
primary 'Xu, L.'           7  0000-0001-6294-4873 
primary 'Hartz, R.A.'      8  ?                   
primary 'Nair, S.K.'       9  ?                   
primary 'Beno, B.R.'       10 ?                   
primary 'Panda, M.'        11 ?                   
primary 'Ghosh, K.'        12 ?                   
primary 'Kumar, A.'        13 ?                   
primary 'Sale, H.'         14 ?                   
primary 'Shah, D.'         15 ?                   
primary 'Mathur, A.'       16 ?                   
primary 'Ellsworth, B.A.'  17 0000-0002-2788-1819 
primary 'Cheng, D.'        18 ?                   
primary 'Regueiro-Ren, A.' 19 0000-0003-2991-719X 
# 
loop_
_entity.id 
_entity.type 
_entity.src_method 
_entity.pdbx_description 
_entity.formula_weight 
_entity.pdbx_number_of_molecules 
_entity.pdbx_ec 
_entity.pdbx_mutation 
_entity.pdbx_fragment 
_entity.details 
1 polymer     man Galectin-3 16380.819 1   ? ? ? ? 
2 non-polymer syn 
;5-[(2~{S},3~{R},4~{R},5~{R},6~{R})-4-[4-[4-bromanyl-2,3-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]-4-[5-chloranyl-2-(trifluoromethyl)phenyl]-2-methyl-1,2,4-triazole-3-thione
;
697.859   1   ? ? ? ? 
3 non-polymer syn 'CHLORIDE ION' 35.453    1   ? ? ? ? 
4 water       nat water 18.015    201 ? ? ? ? 
# 
_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       
;GHMGAPAGPLIVPYNLPLPGGVVPRMLITILGTVKPNANRIALDFQRGNDVAFHFNPRFNENNRRVIVCNTKLDNNWGRE
ERQSVFPFESGKPFKIQVLVEPDHFKVAVNDAHLLQYNHRVKKLNEISKLGISGDIDLTSASYTMI
;
_entity_poly.pdbx_seq_one_letter_code_can   
;GHMGAPAGPLIVPYNLPLPGGVVPRMLITILGTVKPNANRIALDFQRGNDVAFHFNPRFNENNRRVIVCNTKLDNNWGRE
ERQSVFPFESGKPFKIQVLVEPDHFKVAVNDAHLLQYNHRVKKLNEISKLGISGDIDLTSASYTMI
;
_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 
;5-[(2~{S},3~{R},4~{R},5~{R},6~{R})-4-[4-[4-bromanyl-2,3-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]-4-[5-chloranyl-2-(trifluoromethyl)phenyl]-2-methyl-1,2,4-triazole-3-thione
;
A1L0R 
3 'CHLORIDE ION' CL    
4 water HOH   
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   GLY n 
1 2   HIS n 
1 3   MET n 
1 4   GLY n 
1 5   ALA n 
1 6   PRO n 
1 7   ALA n 
1 8   GLY n 
1 9   PRO n 
1 10  LEU n 
1 11  ILE n 
1 12  VAL n 
1 13  PRO n 
1 14  TYR n 
1 15  ASN n 
1 16  LEU n 
1 17  PRO n 
1 18  LEU n 
1 19  PRO n 
1 20  GLY n 
1 21  GLY n 
1 22  VAL n 
1 23  VAL n 
1 24  PRO n 
1 25  ARG n 
1 26  MET n 
1 27  LEU n 
1 28  ILE n 
1 29  THR n 
1 30  ILE n 
1 31  LEU n 
1 32  GLY n 
1 33  THR n 
1 34  VAL n 
1 35  LYS n 
1 36  PRO n 
1 37  ASN n 
1 38  ALA n 
1 39  ASN n 
1 40  ARG n 
1 41  ILE n 
1 42  ALA n 
1 43  LEU n 
1 44  ASP n 
1 45  PHE n 
1 46  GLN n 
1 47  ARG n 
1 48  GLY n 
1 49  ASN n 
1 50  ASP n 
1 51  VAL n 
1 52  ALA n 
1 53  PHE n 
1 54  HIS n 
1 55  PHE n 
1 56  ASN n 
1 57  PRO n 
1 58  ARG n 
1 59  PHE n 
1 60  ASN n 
1 61  GLU n 
1 62  ASN n 
1 63  ASN n 
1 64  ARG n 
1 65  ARG n 
1 66  VAL n 
1 67  ILE n 
1 68  VAL n 
1 69  CYS n 
1 70  ASN n 
1 71  THR n 
1 72  LYS n 
1 73  LEU n 
1 74  ASP n 
1 75  ASN n 
1 76  ASN n 
1 77  TRP n 
1 78  GLY n 
1 79  ARG n 
1 80  GLU n 
1 81  GLU n 
1 82  ARG n 
1 83  GLN n 
1 84  SER n 
1 85  VAL n 
1 86  PHE n 
1 87  PRO n 
1 88  PHE n 
1 89  GLU n 
1 90  SER n 
1 91  GLY n 
1 92  LYS n 
1 93  PRO n 
1 94  PHE n 
1 95  LYS n 
1 96  ILE n 
1 97  GLN n 
1 98  VAL n 
1 99  LEU n 
1 100 VAL n 
1 101 GLU n 
1 102 PRO n 
1 103 ASP n 
1 104 HIS n 
1 105 PHE n 
1 106 LYS n 
1 107 VAL n 
1 108 ALA n 
1 109 VAL n 
1 110 ASN n 
1 111 ASP n 
1 112 ALA n 
1 113 HIS n 
1 114 LEU n 
1 115 LEU n 
1 116 GLN n 
1 117 TYR n 
1 118 ASN n 
1 119 HIS n 
1 120 ARG n 
1 121 VAL n 
1 122 LYS n 
1 123 LYS n 
1 124 LEU n 
1 125 ASN n 
1 126 GLU n 
1 127 ILE n 
1 128 SER n 
1 129 LYS n 
1 130 LEU n 
1 131 GLY n 
1 132 ILE n 
1 133 SER n 
1 134 GLY n 
1 135 ASP n 
1 136 ILE n 
1 137 ASP n 
1 138 LEU n 
1 139 THR n 
1 140 SER n 
1 141 ALA n 
1 142 SER n 
1 143 TYR n 
1 144 THR n 
1 145 MET n 
1 146 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                   146 
_entity_src_gen.gene_src_common_name               human 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 'LGALS3, MAC2' 
_entity_src_gen.gene_src_species                   ? 
_entity_src_gen.gene_src_strain                    ? 
_entity_src_gen.gene_src_tissue                    ? 
_entity_src_gen.gene_src_tissue_fraction           ? 
_entity_src_gen.gene_src_details                   ? 
_entity_src_gen.pdbx_gene_src_fragment             ? 
_entity_src_gen.pdbx_gene_src_scientific_name      'Homo sapiens' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     9606 
_entity_src_gen.pdbx_gene_src_variant              ? 
_entity_src_gen.pdbx_gene_src_cell_line            ? 
_entity_src_gen.pdbx_gene_src_atcc                 ? 
_entity_src_gen.pdbx_gene_src_organ                ? 
_entity_src_gen.pdbx_gene_src_organelle            ? 
_entity_src_gen.pdbx_gene_src_cell                 ? 
_entity_src_gen.pdbx_gene_src_cellular_location    ? 
_entity_src_gen.host_org_common_name               ? 
_entity_src_gen.pdbx_host_org_scientific_name      'Escherichia coli BL21(DE3)' 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     469008 
_entity_src_gen.host_org_genus                     ? 
_entity_src_gen.pdbx_host_org_gene                 ? 
_entity_src_gen.pdbx_host_org_organ                ? 
_entity_src_gen.host_org_species                   ? 
_entity_src_gen.pdbx_host_org_tissue               ? 
_entity_src_gen.pdbx_host_org_tissue_fraction      ? 
_entity_src_gen.pdbx_host_org_strain               ? 
_entity_src_gen.pdbx_host_org_variant              ? 
_entity_src_gen.pdbx_host_org_cell_line            ? 
_entity_src_gen.pdbx_host_org_atcc                 ? 
_entity_src_gen.pdbx_host_org_culture_collection   ? 
_entity_src_gen.pdbx_host_org_cell                 ? 
_entity_src_gen.pdbx_host_org_organelle            ? 
_entity_src_gen.pdbx_host_org_cellular_location    ? 
_entity_src_gen.pdbx_host_org_vector_type          ? 
_entity_src_gen.pdbx_host_org_vector               ? 
_entity_src_gen.host_org_details                   ? 
_entity_src_gen.expression_system_id               ? 
_entity_src_gen.plasmid_name                       ? 
_entity_src_gen.plasmid_details                    ? 
_entity_src_gen.pdbx_description                   ? 
# 
loop_
_chem_comp.id 
_chem_comp.type 
_chem_comp.mon_nstd_flag 
_chem_comp.name 
_chem_comp.pdbx_synonyms 
_chem_comp.formula 
_chem_comp.formula_weight 
A1L0R non-polymer         . 
;5-[(2~{S},3~{R},4~{R},5~{R},6~{R})-4-[4-[4-bromanyl-2,3-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]-4-[5-chloranyl-2-(trifluoromethyl)phenyl]-2-methyl-1,2,4-triazole-3-thione
;
? 'C24 H19 Br Cl F5 N6 O4 S' 697.859 
ALA   'L-peptide linking' y ALANINE ? 'C3 H7 N O2'               89.093  
ARG   'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1'           175.209 
ASN   'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3'              132.118 
ASP   'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4'               133.103 
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 
PHE   'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2'              165.189 
PRO   'L-peptide linking' y PROLINE ? 'C5 H9 N O2'               115.130 
SER   'L-peptide linking' y SERINE ? 'C3 H7 N O3'               105.093 
THR   'L-peptide linking' y THREONINE ? 'C4 H9 N O3'               119.119 
TRP   'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2'            204.225 
TYR   'L-peptide linking' y TYROSINE ? 'C9 H11 N O3'              181.189 
VAL   'L-peptide linking' y VALINE ? 'C5 H11 N O2'              117.146 
# 
loop_
_pdbx_poly_seq_scheme.asym_id 
_pdbx_poly_seq_scheme.entity_id 
_pdbx_poly_seq_scheme.seq_id 
_pdbx_poly_seq_scheme.mon_id 
_pdbx_poly_seq_scheme.ndb_seq_num 
_pdbx_poly_seq_scheme.pdb_seq_num 
_pdbx_poly_seq_scheme.auth_seq_num 
_pdbx_poly_seq_scheme.pdb_mon_id 
_pdbx_poly_seq_scheme.auth_mon_id 
_pdbx_poly_seq_scheme.pdb_strand_id 
_pdbx_poly_seq_scheme.pdb_ins_code 
_pdbx_poly_seq_scheme.hetero 
A 1 1   GLY 1   105 ?   ?   ?   A . n 
A 1 2   HIS 2   106 ?   ?   ?   A . n 
A 1 3   MET 3   107 ?   ?   ?   A . n 
A 1 4   GLY 4   108 ?   ?   ?   A . n 
A 1 5   ALA 5   109 ?   ?   ?   A . n 
A 1 6   PRO 6   110 ?   ?   ?   A . n 
A 1 7   ALA 7   111 ?   ?   ?   A . n 
A 1 8   GLY 8   112 ?   ?   ?   A . n 
A 1 9   PRO 9   113 113 PRO PRO A . n 
A 1 10  LEU 10  114 114 LEU LEU A . n 
A 1 11  ILE 11  115 115 ILE ILE A . n 
A 1 12  VAL 12  116 116 VAL VAL A . n 
A 1 13  PRO 13  117 117 PRO PRO A . n 
A 1 14  TYR 14  118 118 TYR TYR A . n 
A 1 15  ASN 15  119 119 ASN ASN A . n 
A 1 16  LEU 16  120 120 LEU LEU A . n 
A 1 17  PRO 17  121 121 PRO PRO A . n 
A 1 18  LEU 18  122 122 LEU LEU A . n 
A 1 19  PRO 19  123 123 PRO PRO A . n 
A 1 20  GLY 20  124 124 GLY GLY A . n 
A 1 21  GLY 21  125 125 GLY GLY A . n 
A 1 22  VAL 22  126 126 VAL VAL A . n 
A 1 23  VAL 23  127 127 VAL VAL A . n 
A 1 24  PRO 24  128 128 PRO PRO A . n 
A 1 25  ARG 25  129 129 ARG ARG A . n 
A 1 26  MET 26  130 130 MET MET A . n 
A 1 27  LEU 27  131 131 LEU LEU A . n 
A 1 28  ILE 28  132 132 ILE ILE A . n 
A 1 29  THR 29  133 133 THR THR A . n 
A 1 30  ILE 30  134 134 ILE ILE A . n 
A 1 31  LEU 31  135 135 LEU LEU A . n 
A 1 32  GLY 32  136 136 GLY GLY A . n 
A 1 33  THR 33  137 137 THR THR A . n 
A 1 34  VAL 34  138 138 VAL VAL A . n 
A 1 35  LYS 35  139 139 LYS LYS A . n 
A 1 36  PRO 36  140 140 PRO PRO A . n 
A 1 37  ASN 37  141 141 ASN ASN A . n 
A 1 38  ALA 38  142 142 ALA ALA A . n 
A 1 39  ASN 39  143 143 ASN ASN A . n 
A 1 40  ARG 40  144 144 ARG ARG A . n 
A 1 41  ILE 41  145 145 ILE ILE A . n 
A 1 42  ALA 42  146 146 ALA ALA A . n 
A 1 43  LEU 43  147 147 LEU LEU A . n 
A 1 44  ASP 44  148 148 ASP ASP A . n 
A 1 45  PHE 45  149 149 PHE PHE A . n 
A 1 46  GLN 46  150 150 GLN GLN A . n 
A 1 47  ARG 47  151 151 ARG ARG A . n 
A 1 48  GLY 48  152 152 GLY GLY A . n 
A 1 49  ASN 49  153 153 ASN ASN A . n 
A 1 50  ASP 50  154 154 ASP ASP A . n 
A 1 51  VAL 51  155 155 VAL VAL A . n 
A 1 52  ALA 52  156 156 ALA ALA A . n 
A 1 53  PHE 53  157 157 PHE PHE A . n 
A 1 54  HIS 54  158 158 HIS HIS A . n 
A 1 55  PHE 55  159 159 PHE PHE A . n 
A 1 56  ASN 56  160 160 ASN ASN A . n 
A 1 57  PRO 57  161 161 PRO PRO A . n 
A 1 58  ARG 58  162 162 ARG ARG A . n 
A 1 59  PHE 59  163 163 PHE PHE A . n 
A 1 60  ASN 60  164 164 ASN ASN A . n 
A 1 61  GLU 61  165 165 GLU GLU A . n 
A 1 62  ASN 62  166 166 ASN ASN A . n 
A 1 63  ASN 63  167 167 ASN ASN A . n 
A 1 64  ARG 64  168 168 ARG ARG A . n 
A 1 65  ARG 65  169 169 ARG ARG A . n 
A 1 66  VAL 66  170 170 VAL VAL A . n 
A 1 67  ILE 67  171 171 ILE ILE A . n 
A 1 68  VAL 68  172 172 VAL VAL A . n 
A 1 69  CYS 69  173 173 CYS CYS A . n 
A 1 70  ASN 70  174 174 ASN ASN A . n 
A 1 71  THR 71  175 175 THR THR A . n 
A 1 72  LYS 72  176 176 LYS LYS A . n 
A 1 73  LEU 73  177 177 LEU LEU A . n 
A 1 74  ASP 74  178 178 ASP ASP A . n 
A 1 75  ASN 75  179 179 ASN ASN A . n 
A 1 76  ASN 76  180 180 ASN ASN A . n 
A 1 77  TRP 77  181 181 TRP TRP A . n 
A 1 78  GLY 78  182 182 GLY GLY A . n 
A 1 79  ARG 79  183 183 ARG ARG A . n 
A 1 80  GLU 80  184 184 GLU GLU A . n 
A 1 81  GLU 81  185 185 GLU GLU A . n 
A 1 82  ARG 82  186 186 ARG ARG A . n 
A 1 83  GLN 83  187 187 GLN GLN A . n 
A 1 84  SER 84  188 188 SER SER A . n 
A 1 85  VAL 85  189 189 VAL VAL A . n 
A 1 86  PHE 86  190 190 PHE PHE A . n 
A 1 87  PRO 87  191 191 PRO PRO A . n 
A 1 88  PHE 88  192 192 PHE PHE A . n 
A 1 89  GLU 89  193 193 GLU GLU A . n 
A 1 90  SER 90  194 194 SER SER A . n 
A 1 91  GLY 91  195 195 GLY GLY A . n 
A 1 92  LYS 92  196 196 LYS LYS A . n 
A 1 93  PRO 93  197 197 PRO PRO A . n 
A 1 94  PHE 94  198 198 PHE PHE A . n 
A 1 95  LYS 95  199 199 LYS LYS A . n 
A 1 96  ILE 96  200 200 ILE ILE A . n 
A 1 97  GLN 97  201 201 GLN GLN A . n 
A 1 98  VAL 98  202 202 VAL VAL A . n 
A 1 99  LEU 99  203 203 LEU LEU A . n 
A 1 100 VAL 100 204 204 VAL VAL A . n 
A 1 101 GLU 101 205 205 GLU GLU A . n 
A 1 102 PRO 102 206 206 PRO PRO A . n 
A 1 103 ASP 103 207 207 ASP ASP A . n 
A 1 104 HIS 104 208 208 HIS HIS A . n 
A 1 105 PHE 105 209 209 PHE PHE A . n 
A 1 106 LYS 106 210 210 LYS LYS A . n 
A 1 107 VAL 107 211 211 VAL VAL A . n 
A 1 108 ALA 108 212 212 ALA ALA A . n 
A 1 109 VAL 109 213 213 VAL VAL A . n 
A 1 110 ASN 110 214 214 ASN ASN A . n 
A 1 111 ASP 111 215 215 ASP ASP A . n 
A 1 112 ALA 112 216 216 ALA ALA A . n 
A 1 113 HIS 113 217 217 HIS HIS A . n 
A 1 114 LEU 114 218 218 LEU LEU A . n 
A 1 115 LEU 115 219 219 LEU LEU A . n 
A 1 116 GLN 116 220 220 GLN GLN A . n 
A 1 117 TYR 117 221 221 TYR TYR A . n 
A 1 118 ASN 118 222 222 ASN ASN A . n 
A 1 119 HIS 119 223 223 HIS HIS A . n 
A 1 120 ARG 120 224 224 ARG ARG A . n 
A 1 121 VAL 121 225 225 VAL VAL A . n 
A 1 122 LYS 122 226 226 LYS LYS A . n 
A 1 123 LYS 123 227 227 LYS LYS A . n 
A 1 124 LEU 124 228 228 LEU LEU A . n 
A 1 125 ASN 125 229 229 ASN ASN A . n 
A 1 126 GLU 126 230 230 GLU GLU A . n 
A 1 127 ILE 127 231 231 ILE ILE A . n 
A 1 128 SER 128 232 232 SER SER A . n 
A 1 129 LYS 129 233 233 LYS LYS A . n 
A 1 130 LEU 130 234 234 LEU LEU A . n 
A 1 131 GLY 131 235 235 GLY GLY A . n 
A 1 132 ILE 132 236 236 ILE ILE A . n 
A 1 133 SER 133 237 237 SER SER A . n 
A 1 134 GLY 134 238 238 GLY GLY A . n 
A 1 135 ASP 135 239 239 ASP ASP A . n 
A 1 136 ILE 136 240 240 ILE ILE A . n 
A 1 137 ASP 137 241 241 ASP ASP A . n 
A 1 138 LEU 138 242 242 LEU LEU A . n 
A 1 139 THR 139 243 243 THR THR A . n 
A 1 140 SER 140 244 244 SER SER A . n 
A 1 141 ALA 141 245 245 ALA ALA A . n 
A 1 142 SER 142 246 246 SER SER A . n 
A 1 143 TYR 143 247 247 TYR TYR A . n 
A 1 144 THR 144 248 248 THR THR A . n 
A 1 145 MET 145 249 249 MET MET A . n 
A 1 146 ILE 146 250 250 ILE ILE A . n 
# 
_pdbx_entity_instance_feature.ordinal        1 
_pdbx_entity_instance_feature.comp_id        A1L0R 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   A1L0R 
_pdbx_entity_instance_feature.auth_asym_id   ? 
_pdbx_entity_instance_feature.auth_seq_num   ? 
_pdbx_entity_instance_feature.feature_type   'SUBJECT OF INVESTIGATION' 
_pdbx_entity_instance_feature.details        ? 
# 
loop_
_pdbx_nonpoly_scheme.asym_id 
_pdbx_nonpoly_scheme.entity_id 
_pdbx_nonpoly_scheme.mon_id 
_pdbx_nonpoly_scheme.ndb_seq_num 
_pdbx_nonpoly_scheme.pdb_seq_num 
_pdbx_nonpoly_scheme.auth_seq_num 
_pdbx_nonpoly_scheme.pdb_mon_id 
_pdbx_nonpoly_scheme.auth_mon_id 
_pdbx_nonpoly_scheme.pdb_strand_id 
_pdbx_nonpoly_scheme.pdb_ins_code 
B 2 A1L0R 1   301 301 A1L0R LG1 A . 
C 3 CL    1   302 1   CL    CL  A . 
D 4 HOH   1   401 203 HOH   HOH A . 
D 4 HOH   2   402 196 HOH   HOH A . 
D 4 HOH   3   403 112 HOH   HOH A . 
D 4 HOH   4   404 184 HOH   HOH A . 
D 4 HOH   5   405 65  HOH   HOH A . 
D 4 HOH   6   406 189 HOH   HOH A . 
D 4 HOH   7   407 158 HOH   HOH A . 
D 4 HOH   8   408 195 HOH   HOH A . 
D 4 HOH   9   409 40  HOH   HOH A . 
D 4 HOH   10  410 135 HOH   HOH A . 
D 4 HOH   11  411 11  HOH   HOH A . 
D 4 HOH   12  412 190 HOH   HOH A . 
D 4 HOH   13  413 166 HOH   HOH A . 
D 4 HOH   14  414 91  HOH   HOH A . 
D 4 HOH   15  415 87  HOH   HOH A . 
D 4 HOH   16  416 186 HOH   HOH A . 
D 4 HOH   17  417 150 HOH   HOH A . 
D 4 HOH   18  418 108 HOH   HOH A . 
D 4 HOH   19  419 2   HOH   HOH A . 
D 4 HOH   20  420 193 HOH   HOH A . 
D 4 HOH   21  421 188 HOH   HOH A . 
D 4 HOH   22  422 59  HOH   HOH A . 
D 4 HOH   23  423 97  HOH   HOH A . 
D 4 HOH   24  424 12  HOH   HOH A . 
D 4 HOH   25  425 21  HOH   HOH A . 
D 4 HOH   26  426 149 HOH   HOH A . 
D 4 HOH   27  427 93  HOH   HOH A . 
D 4 HOH   28  428 57  HOH   HOH A . 
D 4 HOH   29  429 34  HOH   HOH A . 
D 4 HOH   30  430 71  HOH   HOH A . 
D 4 HOH   31  431 53  HOH   HOH A . 
D 4 HOH   32  432 18  HOH   HOH A . 
D 4 HOH   33  433 180 HOH   HOH A . 
D 4 HOH   34  434 19  HOH   HOH A . 
D 4 HOH   35  435 100 HOH   HOH A . 
D 4 HOH   36  436 177 HOH   HOH A . 
D 4 HOH   37  437 32  HOH   HOH A . 
D 4 HOH   38  438 136 HOH   HOH A . 
D 4 HOH   39  439 9   HOH   HOH A . 
D 4 HOH   40  440 73  HOH   HOH A . 
D 4 HOH   41  441 45  HOH   HOH A . 
D 4 HOH   42  442 50  HOH   HOH A . 
D 4 HOH   43  443 104 HOH   HOH A . 
D 4 HOH   44  444 109 HOH   HOH A . 
D 4 HOH   45  445 148 HOH   HOH A . 
D 4 HOH   46  446 125 HOH   HOH A . 
D 4 HOH   47  447 5   HOH   HOH A . 
D 4 HOH   48  448 47  HOH   HOH A . 
D 4 HOH   49  449 70  HOH   HOH A . 
D 4 HOH   50  450 74  HOH   HOH A . 
D 4 HOH   51  451 82  HOH   HOH A . 
D 4 HOH   52  452 145 HOH   HOH A . 
D 4 HOH   53  453 51  HOH   HOH A . 
D 4 HOH   54  454 31  HOH   HOH A . 
D 4 HOH   55  455 22  HOH   HOH A . 
D 4 HOH   56  456 85  HOH   HOH A . 
D 4 HOH   57  457 121 HOH   HOH A . 
D 4 HOH   58  458 20  HOH   HOH A . 
D 4 HOH   59  459 122 HOH   HOH A . 
D 4 HOH   60  460 84  HOH   HOH A . 
D 4 HOH   61  461 138 HOH   HOH A . 
D 4 HOH   62  462 103 HOH   HOH A . 
D 4 HOH   63  463 1   HOH   HOH A . 
D 4 HOH   64  464 141 HOH   HOH A . 
D 4 HOH   65  465 29  HOH   HOH A . 
D 4 HOH   66  466 128 HOH   HOH A . 
D 4 HOH   67  467 30  HOH   HOH A . 
D 4 HOH   68  468 183 HOH   HOH A . 
D 4 HOH   69  469 39  HOH   HOH A . 
D 4 HOH   70  470 44  HOH   HOH A . 
D 4 HOH   71  471 14  HOH   HOH A . 
D 4 HOH   72  472 58  HOH   HOH A . 
D 4 HOH   73  473 102 HOH   HOH A . 
D 4 HOH   74  474 6   HOH   HOH A . 
D 4 HOH   75  475 55  HOH   HOH A . 
D 4 HOH   76  476 133 HOH   HOH A . 
D 4 HOH   77  477 96  HOH   HOH A . 
D 4 HOH   78  478 3   HOH   HOH A . 
D 4 HOH   79  479 28  HOH   HOH A . 
D 4 HOH   80  480 90  HOH   HOH A . 
D 4 HOH   81  481 137 HOH   HOH A . 
D 4 HOH   82  482 13  HOH   HOH A . 
D 4 HOH   83  483 33  HOH   HOH A . 
D 4 HOH   84  484 41  HOH   HOH A . 
D 4 HOH   85  485 139 HOH   HOH A . 
D 4 HOH   86  486 92  HOH   HOH A . 
D 4 HOH   87  487 143 HOH   HOH A . 
D 4 HOH   88  488 67  HOH   HOH A . 
D 4 HOH   89  489 43  HOH   HOH A . 
D 4 HOH   90  490 15  HOH   HOH A . 
D 4 HOH   91  491 23  HOH   HOH A . 
D 4 HOH   92  492 68  HOH   HOH A . 
D 4 HOH   93  493 61  HOH   HOH A . 
D 4 HOH   94  494 119 HOH   HOH A . 
D 4 HOH   95  495 160 HOH   HOH A . 
D 4 HOH   96  496 168 HOH   HOH A . 
D 4 HOH   97  497 172 HOH   HOH A . 
D 4 HOH   98  498 111 HOH   HOH A . 
D 4 HOH   99  499 35  HOH   HOH A . 
D 4 HOH   100 500 36  HOH   HOH A . 
D 4 HOH   101 501 79  HOH   HOH A . 
D 4 HOH   102 502 114 HOH   HOH A . 
D 4 HOH   103 503 26  HOH   HOH A . 
D 4 HOH   104 504 131 HOH   HOH A . 
D 4 HOH   105 505 38  HOH   HOH A . 
D 4 HOH   106 506 10  HOH   HOH A . 
D 4 HOH   107 507 191 HOH   HOH A . 
D 4 HOH   108 508 207 HOH   HOH A . 
D 4 HOH   109 509 171 HOH   HOH A . 
D 4 HOH   110 510 134 HOH   HOH A . 
D 4 HOH   111 511 25  HOH   HOH A . 
D 4 HOH   112 512 17  HOH   HOH A . 
D 4 HOH   113 513 199 HOH   HOH A . 
D 4 HOH   114 514 132 HOH   HOH A . 
D 4 HOH   115 515 24  HOH   HOH A . 
D 4 HOH   116 516 54  HOH   HOH A . 
D 4 HOH   117 517 209 HOH   HOH A . 
D 4 HOH   118 518 42  HOH   HOH A . 
D 4 HOH   119 519 127 HOH   HOH A . 
D 4 HOH   120 520 60  HOH   HOH A . 
D 4 HOH   121 521 152 HOH   HOH A . 
D 4 HOH   122 522 72  HOH   HOH A . 
D 4 HOH   123 523 16  HOH   HOH A . 
D 4 HOH   124 524 208 HOH   HOH A . 
D 4 HOH   125 525 204 HOH   HOH A . 
D 4 HOH   126 526 202 HOH   HOH A . 
D 4 HOH   127 527 192 HOH   HOH A . 
D 4 HOH   128 528 62  HOH   HOH A . 
D 4 HOH   129 529 147 HOH   HOH A . 
D 4 HOH   130 530 27  HOH   HOH A . 
D 4 HOH   131 531 116 HOH   HOH A . 
D 4 HOH   132 532 37  HOH   HOH A . 
D 4 HOH   133 533 8   HOH   HOH A . 
D 4 HOH   134 534 95  HOH   HOH A . 
D 4 HOH   135 535 4   HOH   HOH A . 
D 4 HOH   136 536 77  HOH   HOH A . 
D 4 HOH   137 537 162 HOH   HOH A . 
D 4 HOH   138 538 46  HOH   HOH A . 
D 4 HOH   139 539 106 HOH   HOH A . 
D 4 HOH   140 540 155 HOH   HOH A . 
D 4 HOH   141 541 142 HOH   HOH A . 
D 4 HOH   142 542 205 HOH   HOH A . 
D 4 HOH   143 543 7   HOH   HOH A . 
D 4 HOH   144 544 194 HOH   HOH A . 
D 4 HOH   145 545 52  HOH   HOH A . 
D 4 HOH   146 546 81  HOH   HOH A . 
D 4 HOH   147 547 206 HOH   HOH A . 
D 4 HOH   148 548 94  HOH   HOH A . 
D 4 HOH   149 549 130 HOH   HOH A . 
D 4 HOH   150 550 182 HOH   HOH A . 
D 4 HOH   151 551 197 HOH   HOH A . 
D 4 HOH   152 552 174 HOH   HOH A . 
D 4 HOH   153 553 179 HOH   HOH A . 
D 4 HOH   154 554 69  HOH   HOH A . 
D 4 HOH   155 555 99  HOH   HOH A . 
D 4 HOH   156 556 118 HOH   HOH A . 
D 4 HOH   157 557 140 HOH   HOH A . 
D 4 HOH   158 558 98  HOH   HOH A . 
D 4 HOH   159 559 64  HOH   HOH A . 
D 4 HOH   160 560 159 HOH   HOH A . 
D 4 HOH   161 561 146 HOH   HOH A . 
D 4 HOH   162 562 176 HOH   HOH A . 
D 4 HOH   163 563 66  HOH   HOH A . 
D 4 HOH   164 564 78  HOH   HOH A . 
D 4 HOH   165 565 210 HOH   HOH A . 
D 4 HOH   166 566 129 HOH   HOH A . 
D 4 HOH   167 567 63  HOH   HOH A . 
D 4 HOH   168 568 187 HOH   HOH A . 
D 4 HOH   169 569 80  HOH   HOH A . 
D 4 HOH   170 570 175 HOH   HOH A . 
D 4 HOH   171 571 178 HOH   HOH A . 
D 4 HOH   172 572 48  HOH   HOH A . 
D 4 HOH   173 573 110 HOH   HOH A . 
D 4 HOH   174 574 76  HOH   HOH A . 
D 4 HOH   175 575 126 HOH   HOH A . 
D 4 HOH   176 576 101 HOH   HOH A . 
D 4 HOH   177 577 144 HOH   HOH A . 
D 4 HOH   178 578 151 HOH   HOH A . 
D 4 HOH   179 579 124 HOH   HOH A . 
D 4 HOH   180 580 154 HOH   HOH A . 
D 4 HOH   181 581 88  HOH   HOH A . 
D 4 HOH   182 582 167 HOH   HOH A . 
D 4 HOH   183 583 123 HOH   HOH A . 
D 4 HOH   184 584 164 HOH   HOH A . 
D 4 HOH   185 585 107 HOH   HOH A . 
D 4 HOH   186 586 115 HOH   HOH A . 
D 4 HOH   187 587 157 HOH   HOH A . 
D 4 HOH   188 588 163 HOH   HOH A . 
D 4 HOH   189 589 117 HOH   HOH A . 
D 4 HOH   190 590 165 HOH   HOH A . 
D 4 HOH   191 591 200 HOH   HOH A . 
D 4 HOH   192 592 89  HOH   HOH A . 
D 4 HOH   193 593 105 HOH   HOH A . 
D 4 HOH   194 594 49  HOH   HOH A . 
D 4 HOH   195 595 156 HOH   HOH A . 
D 4 HOH   196 596 153 HOH   HOH A . 
D 4 HOH   197 597 56  HOH   HOH A . 
D 4 HOH   198 598 169 HOH   HOH A . 
D 4 HOH   199 599 201 HOH   HOH A . 
D 4 HOH   200 600 170 HOH   HOH A . 
D 4 HOH   201 601 161 HOH   HOH A . 
# 
loop_
_pdbx_unobs_or_zero_occ_atoms.id 
_pdbx_unobs_or_zero_occ_atoms.PDB_model_num 
_pdbx_unobs_or_zero_occ_atoms.polymer_flag 
_pdbx_unobs_or_zero_occ_atoms.occupancy_flag 
_pdbx_unobs_or_zero_occ_atoms.auth_asym_id 
_pdbx_unobs_or_zero_occ_atoms.auth_comp_id 
_pdbx_unobs_or_zero_occ_atoms.auth_seq_id 
_pdbx_unobs_or_zero_occ_atoms.PDB_ins_code 
_pdbx_unobs_or_zero_occ_atoms.auth_atom_id 
_pdbx_unobs_or_zero_occ_atoms.label_alt_id 
_pdbx_unobs_or_zero_occ_atoms.label_asym_id 
_pdbx_unobs_or_zero_occ_atoms.label_comp_id 
_pdbx_unobs_or_zero_occ_atoms.label_seq_id 
_pdbx_unobs_or_zero_occ_atoms.label_atom_id 
1 1 Y 1 A ILE 115 ? CD1 ? A ILE 11  CD1 
2 1 Y 1 A GLN 187 ? NE2 ? A GLN 83  NE2 
3 1 Y 1 A LYS 233 ? NZ  ? A LYS 129 NZ  
# 
loop_
_software.citation_id 
_software.classification 
_software.compiler_name 
_software.compiler_version 
_software.contact_author 
_software.contact_author_email 
_software.date 
_software.description 
_software.dependencies 
_software.hardware 
_software.language 
_software.location 
_software.mods 
_software.name 
_software.os 
_software.os_version 
_software.type 
_software.version 
_software.pdbx_ordinal 
? refinement       ? ? ? ? ? ? ? ? ? ? ? BUSTER  ? ? ? 5.8.0232 1 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? Aimless ? ? ? .        2 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? XDS     ? ? ? .        3 
? phasing          ? ? ? ? ? ? ? ? ? ? ? PHASER  ? ? ? .        4 
# 
_cell.angle_alpha                  90.00 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   90.00 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  90.00 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     8ZUV 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     36.745 
_cell.length_a_esd                 ? 
_cell.length_b                     58.108 
_cell.length_b_esd                 ? 
_cell.length_c                     62.963 
_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                         8ZUV 
_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                   8ZUV 
_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             2.05 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          40.05 
_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    'BUFFER = 0.1M TRIS (7.8), SALT= NASCN; PRECIPITANT = PEG 6K' 
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            293 
# 
_diffrn.ambient_environment              ? 
_diffrn.ambient_temp                     100 
_diffrn.ambient_temp_details             ? 
_diffrn.ambient_temp_esd                 ? 
_diffrn.crystal_id                       1 
_diffrn.crystal_support                  ? 
_diffrn.crystal_treatment                ? 
_diffrn.details                          ? 
_diffrn.id                               1 
_diffrn.ambient_pressure                 ? 
_diffrn.ambient_pressure_esd             ? 
_diffrn.ambient_pressure_gt              ? 
_diffrn.ambient_pressure_lt              ? 
_diffrn.ambient_temp_gt                  ? 
_diffrn.ambient_temp_lt                  ? 
_diffrn.pdbx_serial_crystal_experiment   N 
# 
_diffrn_detector.details                      ? 
_diffrn_detector.detector                     PIXEL 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         'DECTRIS EIGER X 16M' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2019-01-31 
_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   0.9801 
_diffrn_radiation_wavelength.wt           1.0 
# 
_diffrn_source.current                     ? 
_diffrn_source.details                     ? 
_diffrn_source.diffrn_id                   1 
_diffrn_source.power                       ? 
_diffrn_source.size                        ? 
_diffrn_source.source                      SYNCHROTRON 
_diffrn_source.target                      ? 
_diffrn_source.type                        'SOLEIL BEAMLINE PROXIMA 1' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        0.9801 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   'PROXIMA 1' 
_diffrn_source.pdbx_synchrotron_site       SOLEIL 
# 
_reflns.B_iso_Wilson_estimate                          ? 
_reflns.entry_id                                       8ZUV 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.45 
_reflns.d_resolution_low                               42.7 
_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                                     22138 
_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                           90 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                1 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          1.0 
_reflns.pdbx_res_netI_over_av_sigmaI_2                 ? 
_reflns.pdbx_res_netI_over_sigmaI_2                    ? 
_reflns.pdbx_chi_squared                               ? 
_reflns.pdbx_scaling_rejects                           ? 
_reflns.pdbx_d_res_high_opt                            ? 
_reflns.pdbx_d_res_low_opt                             ? 
_reflns.pdbx_d_res_opt_method                          ? 
_reflns.phase_calculation_details                      ? 
_reflns.pdbx_Rrim_I_all                                ? 
_reflns.pdbx_Rpim_I_all                                ? 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       ? 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   0.8 
_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                                    1.45 
_reflns_shell.d_res_low                                     1.62 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           ? 
_reflns_shell.number_measured_all                           ? 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             22138 
_reflns_shell.percent_possible_obs                          ? 
_reflns_shell.Rmerge_F_all                                  ? 
_reflns_shell.Rmerge_F_obs                                  ? 
_reflns_shell.meanI_over_sigI_gt                            ? 
_reflns_shell.meanI_over_uI_all                             ? 
_reflns_shell.meanI_over_uI_gt                              ? 
_reflns_shell.number_measured_gt                            ? 
_reflns_shell.number_unique_gt                              ? 
_reflns_shell.percent_possible_gt                           ? 
_reflns_shell.Rmerge_F_gt                                   ? 
_reflns_shell.Rmerge_I_gt                                   ? 
_reflns_shell.pdbx_redundancy                               ? 
_reflns_shell.pdbx_chi_squared                              ? 
_reflns_shell.pdbx_netI_over_sigmaI_all                     ? 
_reflns_shell.pdbx_netI_over_sigmaI_obs                     ? 
_reflns_shell.pdbx_Rrim_I_all                               ? 
_reflns_shell.pdbx_Rpim_I_all                               ? 
_reflns_shell.pdbx_rejects                                  ? 
_reflns_shell.pdbx_ordinal                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  0.4 
_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]                            0.87 
_refine.aniso_B[1][2]                            0.00 
_refine.aniso_B[1][3]                            0.00 
_refine.aniso_B[2][2]                            -0.12 
_refine.aniso_B[2][3]                            0.00 
_refine.aniso_B[3][3]                            -0.75 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               17.542 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               0.971 
_refine.correlation_coeff_Fo_to_Fc_free          0.966 
_refine.details                                  'HYDROGENS HAVE BEEN USED IF PRESENT IN THE INPUT' 
_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                                 8ZUV 
_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                            1.45 
_refine.ls_d_res_low                             42.70 
_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                     20995 
_refine.ls_number_reflns_R_free                  1093 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    89.77 
_refine.ls_percent_reflns_R_free                 4.9 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.15909 
_refine.ls_R_factor_R_free                       0.18544 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.15772 
_refine.ls_R_Fsqd_factor_obs                     ? 
_refine.ls_R_I_factor_obs                        ? 
_refine.ls_redundancy_reflns_all                 ? 
_refine.ls_redundancy_reflns_obs                 ? 
_refine.ls_restrained_S_all                      ? 
_refine.ls_restrained_S_obs                      ? 
_refine.ls_shift_over_esd_max                    ? 
_refine.ls_shift_over_esd_mean                   ? 
_refine.ls_structure_factor_coef                 ? 
_refine.ls_weighting_details                     ? 
_refine.ls_weighting_scheme                      ? 
_refine.ls_wR_factor_all                         ? 
_refine.ls_wR_factor_obs                         ? 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_wR_factor_R_work                      ? 
_refine.occupancy_max                            ? 
_refine.occupancy_min                            ? 
_refine.solvent_model_details                    MASK 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_R_complete                          ? 
_refine.ls_R_factor_gt                           ? 
_refine.ls_goodness_of_fit_gt                    ? 
_refine.ls_goodness_of_fit_ref                   ? 
_refine.ls_shift_over_su_max                     ? 
_refine.ls_shift_over_su_max_lt                  ? 
_refine.ls_shift_over_su_mean                    ? 
_refine.ls_shift_over_su_mean_lt                 ? 
_refine.pdbx_ls_sigma_I                          ? 
_refine.pdbx_ls_sigma_F                          ? 
_refine.pdbx_ls_sigma_Fsqd                       ? 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.pdbx_ls_cross_valid_method               THROUGHOUT 
_refine.pdbx_method_to_determine_struct          'MOLECULAR REPLACEMENT' 
_refine.pdbx_starting_model                      ? 
_refine.pdbx_stereochemistry_target_values       'MAXIMUM LIKELIHOOD' 
_refine.pdbx_R_Free_selection_details            RANDOM 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_overall_ESU_R                       0.073 
_refine.pdbx_overall_ESU_R_Free                  0.073 
_refine.pdbx_solvent_vdw_probe_radii             1.20 
_refine.pdbx_solvent_ion_probe_radii             0.80 
_refine.pdbx_solvent_shrinkage_radii             0.80 
_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                             1.191 
_refine.overall_SU_ML                            0.046 
_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                         1 
_refine_hist.details                          ? 
_refine_hist.d_res_high                       1.45 
_refine_hist.d_res_low                        42.70 
_refine_hist.number_atoms_solvent             201 
_refine_hist.number_atoms_total               1349 
_refine_hist.number_reflns_all                ? 
_refine_hist.number_reflns_obs                ? 
_refine_hist.number_reflns_R_free             ? 
_refine_hist.number_reflns_R_work             ? 
_refine_hist.R_factor_all                     ? 
_refine_hist.R_factor_obs                     ? 
_refine_hist.R_factor_R_free                  ? 
_refine_hist.R_factor_R_work                  ? 
_refine_hist.pdbx_number_residues_total       ? 
_refine_hist.pdbx_B_iso_mean_ligand           ? 
_refine_hist.pdbx_B_iso_mean_solvent          ? 
_refine_hist.pdbx_number_atoms_protein        1105 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         43 
_refine_hist.pdbx_number_atoms_lipid          ? 
_refine_hist.pdbx_number_atoms_carb           ? 
_refine_hist.pdbx_pseudo_atom_details         ? 
# 
loop_
_refine_ls_restr.pdbx_refine_id 
_refine_ls_restr.criterion 
_refine_ls_restr.dev_ideal 
_refine_ls_restr.dev_ideal_target 
_refine_ls_restr.number 
_refine_ls_restr.rejects 
_refine_ls_restr.type 
_refine_ls_restr.weight 
_refine_ls_restr.pdbx_restraint_function 
'X-RAY DIFFRACTION' ? 0.013  0.012  1233 ? r_bond_refined_d             ? ? 
'X-RAY DIFFRACTION' ? 0.002  0.017  1169 ? r_bond_other_d               ? ? 
'X-RAY DIFFRACTION' ? 1.751  1.700  1693 ? r_angle_refined_deg          ? ? 
'X-RAY DIFFRACTION' ? 0.616  1.588  2681 ? r_angle_other_deg            ? ? 
'X-RAY DIFFRACTION' ? 7.323  5.000  154  ? r_dihedral_angle_1_deg       ? ? 
'X-RAY DIFFRACTION' ? 29.080 20.986 71   ? r_dihedral_angle_2_deg       ? ? 
'X-RAY DIFFRACTION' ? 12.223 15.000 209  ? r_dihedral_angle_3_deg       ? ? 
'X-RAY DIFFRACTION' ? 8.250  15.000 12   ? r_dihedral_angle_4_deg       ? ? 
'X-RAY DIFFRACTION' ? 0.097  0.200  160  ? r_chiral_restr               ? ? 
'X-RAY DIFFRACTION' ? 0.010  0.020  1543 ? r_gen_planes_refined         ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.020  308  ? r_gen_planes_other           ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_nbd_refined                ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_nbd_other                  ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_nbtor_refined              ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_nbtor_other                ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_xyhbond_nbd_refined        ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_xyhbond_nbd_other          ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_metal_ion_refined          ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_metal_ion_other            ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_symmetry_vdw_refined       ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_symmetry_vdw_other         ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_symmetry_hbond_refined     ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_symmetry_hbond_other       ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_symmetry_metal_ion_refined ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_symmetry_metal_ion_other   ? ? 
'X-RAY DIFFRACTION' ? 1.358  1.416  570  ? r_mcbond_it                  ? ? 
'X-RAY DIFFRACTION' ? 1.346  1.411  568  ? r_mcbond_other               ? ? 
'X-RAY DIFFRACTION' ? 1.916  2.119  714  ? r_mcangle_it                 ? ? 
'X-RAY DIFFRACTION' ? 1.915  2.119  715  ? r_mcangle_other              ? ? 
'X-RAY DIFFRACTION' ? 2.660  1.755  663  ? r_scbond_it                  ? ? 
'X-RAY DIFFRACTION' ? 2.635  1.753  658  ? r_scbond_other               ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_scangle_it                 ? ? 
'X-RAY DIFFRACTION' ? 3.937  2.550  966  ? r_scangle_other              ? ? 
'X-RAY DIFFRACTION' ? 11.220 19.741 1329 ? r_long_range_B_refined       ? ? 
'X-RAY DIFFRACTION' ? 10.323 18.681 1279 ? r_long_range_B_other         ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_rigid_bond_restr           ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_sphericity_free            ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_sphericity_bonded          ? ? 
# 
_refine_ls_shell.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_ls_shell.d_res_high                       1.450 
_refine_ls_shell.d_res_low                        1.487 
_refine_ls_shell.number_reflns_all                ? 
_refine_ls_shell.number_reflns_obs                ? 
_refine_ls_shell.number_reflns_R_free             59 
_refine_ls_shell.number_reflns_R_work             900 
_refine_ls_shell.percent_reflns_obs               52.98 
_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                  0.230 
_refine_ls_shell.redundancy_reflns_all            ? 
_refine_ls_shell.redundancy_reflns_obs            ? 
_refine_ls_shell.wR_factor_all                    ? 
_refine_ls_shell.wR_factor_obs                    ? 
_refine_ls_shell.wR_factor_R_free                 ? 
_refine_ls_shell.wR_factor_R_work                 ? 
_refine_ls_shell.pdbx_R_complete                  ? 
_refine_ls_shell.pdbx_total_number_of_bins_used   20 
_refine_ls_shell.pdbx_phase_error                 ? 
_refine_ls_shell.pdbx_fsc_work                    ? 
_refine_ls_shell.pdbx_fsc_free                    ? 
_refine_ls_shell.R_factor_R_free                  0.290 
# 
_struct.entry_id                     8ZUV 
_struct.title                        'Crystal structure of mouse Galectin-3 in complex with small molecule inhibitor' 
_struct.pdbx_model_details           ? 
_struct.pdbx_formula_weight          ? 
_struct.pdbx_formula_weight_method   ? 
_struct.pdbx_model_type_details      ? 
_struct.pdbx_CASP_flag               N 
# 
_struct_keywords.entry_id        8ZUV 
_struct_keywords.text            'Fibrosis, Galactose, SUGAR BINDING PROTEIN' 
_struct_keywords.pdbx_keywords   'SUGAR BINDING PROTEIN' 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 2 ? 
C N N 3 ? 
D N N 4 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    LEG3_HUMAN 
_struct_ref.pdbx_db_accession          P17931 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;GAPAGPLIVPYNLPLPGGVVPRMLITILGTVKPNANRIALDFQRGNDVAFHFNPRFNENNRRVIVCNTKLDNNWGREERQ
SVFPFESGKPFKIQVLVEPDHFKVAVNDAHLLQYNHRVKKLNEISKLGISGDIDLTSASYTMI
;
_struct_ref.pdbx_align_begin           108 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              8ZUV 
_struct_ref_seq.pdbx_strand_id                A 
_struct_ref_seq.seq_align_beg                 4 
_struct_ref_seq.pdbx_seq_align_beg_ins_code   ? 
_struct_ref_seq.seq_align_end                 146 
_struct_ref_seq.pdbx_seq_align_end_ins_code   ? 
_struct_ref_seq.pdbx_db_accession             P17931 
_struct_ref_seq.db_align_beg                  108 
_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       108 
_struct_ref_seq.pdbx_auth_seq_align_end       250 
# 
loop_
_struct_ref_seq_dif.align_id 
_struct_ref_seq_dif.pdbx_pdb_id_code 
_struct_ref_seq_dif.mon_id 
_struct_ref_seq_dif.pdbx_pdb_strand_id 
_struct_ref_seq_dif.seq_num 
_struct_ref_seq_dif.pdbx_pdb_ins_code 
_struct_ref_seq_dif.pdbx_seq_db_name 
_struct_ref_seq_dif.pdbx_seq_db_accession_code 
_struct_ref_seq_dif.db_mon_id 
_struct_ref_seq_dif.pdbx_seq_db_seq_num 
_struct_ref_seq_dif.details 
_struct_ref_seq_dif.pdbx_auth_seq_num 
_struct_ref_seq_dif.pdbx_ordinal 
1 8ZUV GLY A 1 ? UNP P17931 ? ? 'expression tag' 105 1 
1 8ZUV HIS A 2 ? UNP P17931 ? ? 'expression tag' 106 2 
1 8ZUV MET A 3 ? UNP P17931 ? ? 'expression tag' 107 3 
# 
_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)' 140  ? 
1 MORE         -11  ? 
1 'SSA (A^2)'  7360 ? 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C,D 
# 
_pdbx_struct_oper_list.id                   1 
_pdbx_struct_oper_list.type                 'identity operation' 
_pdbx_struct_oper_list.name                 1_555 
_pdbx_struct_oper_list.symmetry_operation   x,y,z 
_pdbx_struct_oper_list.matrix[1][1]         1.0000000000 
_pdbx_struct_oper_list.matrix[1][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[1][3]         0.0000000000 
_pdbx_struct_oper_list.vector[1]            0.0000000000 
_pdbx_struct_oper_list.matrix[2][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[2][2]         1.0000000000 
_pdbx_struct_oper_list.matrix[2][3]         0.0000000000 
_pdbx_struct_oper_list.vector[2]            0.0000000000 
_pdbx_struct_oper_list.matrix[3][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][3]         1.0000000000 
_pdbx_struct_oper_list.vector[3]            0.0000000000 
# 
_struct_conf.conf_type_id            HELX_P 
_struct_conf.id                      HELX_P1 
_struct_conf.pdbx_PDB_helix_id       AA1 
_struct_conf.beg_label_comp_id       LYS 
_struct_conf.beg_label_asym_id       A 
_struct_conf.beg_label_seq_id        123 
_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        127 
_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           12 
_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    13 
_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       2.43 
# 
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 14  ? PRO A 17  ? TYR A 118 PRO A 121 
AA1 2 LYS A 129 ? GLY A 134 ? LYS A 233 GLY A 238 
AA1 3 ILE A 41  ? ARG A 47  ? ILE A 145 ARG A 151 
AA1 4 ASP A 50  ? GLU A 61  ? ASP A 154 GLU A 165 
AA1 5 ARG A 64  ? LEU A 73  ? ARG A 168 LEU A 177 
AA1 6 ASN A 76  ? TRP A 77  ? ASN A 180 TRP A 181 
AA2 1 TYR A 14  ? PRO A 17  ? TYR A 118 PRO A 121 
AA2 2 LYS A 129 ? GLY A 134 ? LYS A 233 GLY A 238 
AA2 3 ILE A 41  ? ARG A 47  ? ILE A 145 ARG A 151 
AA2 4 ASP A 50  ? GLU A 61  ? ASP A 154 GLU A 165 
AA2 5 ARG A 64  ? LEU A 73  ? ARG A 168 LEU A 177 
AA2 6 GLU A 81  ? GLN A 83  ? GLU A 185 GLN A 187 
AA3 1 ALA A 112 ? ASN A 118 ? ALA A 216 ASN A 222 
AA3 2 HIS A 104 ? VAL A 109 ? HIS A 208 VAL A 213 
AA3 3 PRO A 93  ? VAL A 100 ? PRO A 197 VAL A 204 
AA3 4 MET A 26  ? VAL A 34  ? MET A 130 VAL A 138 
AA3 5 ILE A 136 ? MET A 145 ? 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 16  ? N LEU A 120 O LEU A 130 ? O LEU A 234 
AA1 2 3 O SER A 133 ? O SER A 237 N ALA A 42  ? N ALA A 146 
AA1 3 4 N PHE A 45  ? N PHE A 149 O PHE A 53  ? O PHE A 157 
AA1 4 5 N ARG A 58  ? N ARG A 162 O VAL A 66  ? O VAL A 170 
AA1 5 6 N LEU A 73  ? N LEU A 177 O ASN A 76  ? O ASN A 180 
AA2 1 2 N LEU A 16  ? N LEU A 120 O LEU A 130 ? O LEU A 234 
AA2 2 3 O SER A 133 ? O SER A 237 N ALA A 42  ? N ALA A 146 
AA2 3 4 N PHE A 45  ? N PHE A 149 O PHE A 53  ? O PHE A 157 
AA2 4 5 N ARG A 58  ? N ARG A 162 O VAL A 66  ? O VAL A 170 
AA2 5 6 N CYS A 69  ? N CYS A 173 O GLU A 81  ? O GLU A 185 
AA3 1 2 O LEU A 115 ? O LEU A 219 N VAL A 107 ? N VAL A 211 
AA3 2 3 O LYS A 106 ? O LYS A 210 N LEU A 99  ? N LEU A 203 
AA3 3 4 O PHE A 94  ? O PHE A 198 N GLY A 32  ? N GLY A 136 
AA3 4 5 N LEU A 27  ? N LEU A 131 O THR A 144 ? O THR A 248 
# 
_pdbx_entry_details.entry_id                   8ZUV 
_pdbx_entry_details.has_ligand_of_interest     Y 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.has_protein_modification   N 
# 
loop_
_pdbx_validate_close_contact.id 
_pdbx_validate_close_contact.PDB_model_num 
_pdbx_validate_close_contact.auth_atom_id_1 
_pdbx_validate_close_contact.auth_asym_id_1 
_pdbx_validate_close_contact.auth_comp_id_1 
_pdbx_validate_close_contact.auth_seq_id_1 
_pdbx_validate_close_contact.PDB_ins_code_1 
_pdbx_validate_close_contact.label_alt_id_1 
_pdbx_validate_close_contact.auth_atom_id_2 
_pdbx_validate_close_contact.auth_asym_id_2 
_pdbx_validate_close_contact.auth_comp_id_2 
_pdbx_validate_close_contact.auth_seq_id_2 
_pdbx_validate_close_contact.PDB_ins_code_2 
_pdbx_validate_close_contact.label_alt_id_2 
_pdbx_validate_close_contact.dist 
1  1 HH11 A ARG 169 ? A O A HOH 401 ? ? 1.29 
2  1 HD22 A ASN 229 ? ? O A HOH 402 ? ? 1.43 
3  1 O    A HOH 445 ? ? O A HOH 525 ? ? 1.47 
4  1 HE   A ARG 144 ? B O A HOH 405 ? ? 1.52 
5  1 NH1  A ARG 169 ? A O A HOH 401 ? ? 1.60 
6  1 O    A HOH 441 ? ? O A HOH 547 ? ? 1.77 
7  1 ND2  A ASN 229 ? ? O A HOH 402 ? ? 1.90 
8  1 O    A HOH 508 ? ? O A HOH 520 ? ? 1.97 
9  1 O    A HOH 408 ? ? O A HOH 513 ? ? 2.05 
10 1 OE1  A GLN 220 ? ? O A HOH 403 ? ? 2.17 
# 
loop_
_pdbx_validate_symm_contact.id 
_pdbx_validate_symm_contact.PDB_model_num 
_pdbx_validate_symm_contact.auth_atom_id_1 
_pdbx_validate_symm_contact.auth_asym_id_1 
_pdbx_validate_symm_contact.auth_comp_id_1 
_pdbx_validate_symm_contact.auth_seq_id_1 
_pdbx_validate_symm_contact.PDB_ins_code_1 
_pdbx_validate_symm_contact.label_alt_id_1 
_pdbx_validate_symm_contact.site_symmetry_1 
_pdbx_validate_symm_contact.auth_atom_id_2 
_pdbx_validate_symm_contact.auth_asym_id_2 
_pdbx_validate_symm_contact.auth_comp_id_2 
_pdbx_validate_symm_contact.auth_seq_id_2 
_pdbx_validate_symm_contact.PDB_ins_code_2 
_pdbx_validate_symm_contact.label_alt_id_2 
_pdbx_validate_symm_contact.site_symmetry_2 
_pdbx_validate_symm_contact.dist 
1 1 O A HOH 428 ? ? 1_555 O A HOH 517 ? ? 2_575 1.75 
2 1 O A HOH 507 ? ? 1_555 O A HOH 536 ? ? 4_567 1.79 
# 
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 ? ? 87.87   -1.67 
2 1 ASN A 164 ? ? -153.15 74.68 
# 
_pdbx_distant_solvent_atoms.id                                1 
_pdbx_distant_solvent_atoms.PDB_model_num                     1 
_pdbx_distant_solvent_atoms.auth_atom_id                      O 
_pdbx_distant_solvent_atoms.label_alt_id                      ? 
_pdbx_distant_solvent_atoms.auth_asym_id                      A 
_pdbx_distant_solvent_atoms.auth_comp_id                      HOH 
_pdbx_distant_solvent_atoms.auth_seq_id                       601 
_pdbx_distant_solvent_atoms.PDB_ins_code                      ? 
_pdbx_distant_solvent_atoms.neighbor_macromolecule_distance   6.52 
_pdbx_distant_solvent_atoms.neighbor_ligand_distance          . 
# 
loop_
_pdbx_unobs_or_zero_occ_residues.id 
_pdbx_unobs_or_zero_occ_residues.PDB_model_num 
_pdbx_unobs_or_zero_occ_residues.polymer_flag 
_pdbx_unobs_or_zero_occ_residues.occupancy_flag 
_pdbx_unobs_or_zero_occ_residues.auth_asym_id 
_pdbx_unobs_or_zero_occ_residues.auth_comp_id 
_pdbx_unobs_or_zero_occ_residues.auth_seq_id 
_pdbx_unobs_or_zero_occ_residues.PDB_ins_code 
_pdbx_unobs_or_zero_occ_residues.label_asym_id 
_pdbx_unobs_or_zero_occ_residues.label_comp_id 
_pdbx_unobs_or_zero_occ_residues.label_seq_id 
1 1 Y 1 A GLY 105 ? A GLY 1 
2 1 Y 1 A HIS 106 ? A HIS 2 
3 1 Y 1 A MET 107 ? A MET 3 
4 1 Y 1 A GLY 108 ? A GLY 4 
5 1 Y 1 A ALA 109 ? A ALA 5 
6 1 Y 1 A PRO 110 ? A PRO 6 
7 1 Y 1 A ALA 111 ? A ALA 7 
8 1 Y 1 A GLY 112 ? A GLY 8 
# 
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.pdbx_ordinal 
A1L0R C13  C  Y N 1   
A1L0R C18  C  Y N 2   
A1L0R C17  C  Y N 3   
A1L0R C16  C  N N 4   
A1L0R C15  C  Y N 5   
A1L0R C19  C  Y N 6   
A1L0R C20  C  Y N 7   
A1L0R C21  C  Y N 8   
A1L0R C22  C  Y N 9   
A1L0R C23  C  N N 10  
A1L0R C11  C  Y N 11  
A1L0R C12  C  Y N 12  
A1L0R F4   F  N N 13  
A1L0R F2   F  N N 14  
A1L0R F3   F  N N 15  
A1L0R CL   CL N N 16  
A1L0R N5   N  N N 17  
A1L0R S    S  N N 18  
A1L0R N    N  N N 19  
A1L0R C    C  N N 20  
A1L0R C1   C  N N 21  
A1L0R N1   N  N N 22  
A1L0R C2   C  N S 23  
A1L0R C7   C  N R 24  
A1L0R O3   O  N N 25  
A1L0R C6   C  N R 26  
A1L0R C5   C  N R 27  
A1L0R O2   O  N N 28  
A1L0R C3   C  N R 29  
A1L0R C4   C  N N 30  
A1L0R O1   O  N N 31  
A1L0R O    O  N N 32  
A1L0R N2   N  Y N 33  
A1L0R N4   N  Y N 34  
A1L0R N3   N  Y N 35  
A1L0R C9   C  Y N 36  
A1L0R C8   C  Y N 37  
A1L0R C10  C  Y N 38  
A1L0R C14  C  Y N 39  
A1L0R BR   BR N N 40  
A1L0R F1   F  N N 41  
A1L0R F    F  N N 42  
A1L0R H15  H  N N 43  
A1L0R H16  H  N N 44  
A1L0R H17  H  N N 45  
A1L0R H18  H  N N 46  
A1L0R H7   H  N N 47  
A1L0R H5   H  N N 48  
A1L0R H6   H  N N 49  
A1L0R H    H  N N 50  
A1L0R H4   H  N N 51  
A1L0R H12  H  N N 52  
A1L0R H3   H  N N 53  
A1L0R H2   H  N N 54  
A1L0R H11  H  N N 55  
A1L0R H1   H  N N 56  
A1L0R H9   H  N N 57  
A1L0R H8   H  N N 58  
A1L0R H10  H  N N 59  
A1L0R H13  H  N N 60  
A1L0R H14  H  N N 61  
ALA   N    N  N N 62  
ALA   CA   C  N S 63  
ALA   C    C  N N 64  
ALA   O    O  N N 65  
ALA   CB   C  N N 66  
ALA   OXT  O  N N 67  
ALA   H    H  N N 68  
ALA   H2   H  N N 69  
ALA   HA   H  N N 70  
ALA   HB1  H  N N 71  
ALA   HB2  H  N N 72  
ALA   HB3  H  N N 73  
ALA   HXT  H  N N 74  
ARG   N    N  N N 75  
ARG   CA   C  N S 76  
ARG   C    C  N N 77  
ARG   O    O  N N 78  
ARG   CB   C  N N 79  
ARG   CG   C  N N 80  
ARG   CD   C  N N 81  
ARG   NE   N  N N 82  
ARG   CZ   C  N N 83  
ARG   NH1  N  N N 84  
ARG   NH2  N  N N 85  
ARG   OXT  O  N N 86  
ARG   H    H  N N 87  
ARG   H2   H  N N 88  
ARG   HA   H  N N 89  
ARG   HB2  H  N N 90  
ARG   HB3  H  N N 91  
ARG   HG2  H  N N 92  
ARG   HG3  H  N N 93  
ARG   HD2  H  N N 94  
ARG   HD3  H  N N 95  
ARG   HE   H  N N 96  
ARG   HH11 H  N N 97  
ARG   HH12 H  N N 98  
ARG   HH21 H  N N 99  
ARG   HH22 H  N N 100 
ARG   HXT  H  N N 101 
ASN   N    N  N N 102 
ASN   CA   C  N S 103 
ASN   C    C  N N 104 
ASN   O    O  N N 105 
ASN   CB   C  N N 106 
ASN   CG   C  N N 107 
ASN   OD1  O  N N 108 
ASN   ND2  N  N N 109 
ASN   OXT  O  N N 110 
ASN   H    H  N N 111 
ASN   H2   H  N N 112 
ASN   HA   H  N N 113 
ASN   HB2  H  N N 114 
ASN   HB3  H  N N 115 
ASN   HD21 H  N N 116 
ASN   HD22 H  N N 117 
ASN   HXT  H  N N 118 
ASP   N    N  N N 119 
ASP   CA   C  N S 120 
ASP   C    C  N N 121 
ASP   O    O  N N 122 
ASP   CB   C  N N 123 
ASP   CG   C  N N 124 
ASP   OD1  O  N N 125 
ASP   OD2  O  N N 126 
ASP   OXT  O  N N 127 
ASP   H    H  N N 128 
ASP   H2   H  N N 129 
ASP   HA   H  N N 130 
ASP   HB2  H  N N 131 
ASP   HB3  H  N N 132 
ASP   HD2  H  N N 133 
ASP   HXT  H  N N 134 
CL    CL   CL N N 135 
CYS   N    N  N N 136 
CYS   CA   C  N R 137 
CYS   C    C  N N 138 
CYS   O    O  N N 139 
CYS   CB   C  N N 140 
CYS   SG   S  N N 141 
CYS   OXT  O  N N 142 
CYS   H    H  N N 143 
CYS   H2   H  N N 144 
CYS   HA   H  N N 145 
CYS   HB2  H  N N 146 
CYS   HB3  H  N N 147 
CYS   HG   H  N N 148 
CYS   HXT  H  N N 149 
GLN   N    N  N N 150 
GLN   CA   C  N S 151 
GLN   C    C  N N 152 
GLN   O    O  N N 153 
GLN   CB   C  N N 154 
GLN   CG   C  N N 155 
GLN   CD   C  N N 156 
GLN   OE1  O  N N 157 
GLN   NE2  N  N N 158 
GLN   OXT  O  N N 159 
GLN   H    H  N N 160 
GLN   H2   H  N N 161 
GLN   HA   H  N N 162 
GLN   HB2  H  N N 163 
GLN   HB3  H  N N 164 
GLN   HG2  H  N N 165 
GLN   HG3  H  N N 166 
GLN   HE21 H  N N 167 
GLN   HE22 H  N N 168 
GLN   HXT  H  N N 169 
GLU   N    N  N N 170 
GLU   CA   C  N S 171 
GLU   C    C  N N 172 
GLU   O    O  N N 173 
GLU   CB   C  N N 174 
GLU   CG   C  N N 175 
GLU   CD   C  N N 176 
GLU   OE1  O  N N 177 
GLU   OE2  O  N N 178 
GLU   OXT  O  N N 179 
GLU   H    H  N N 180 
GLU   H2   H  N N 181 
GLU   HA   H  N N 182 
GLU   HB2  H  N N 183 
GLU   HB3  H  N N 184 
GLU   HG2  H  N N 185 
GLU   HG3  H  N N 186 
GLU   HE2  H  N N 187 
GLU   HXT  H  N N 188 
GLY   N    N  N N 189 
GLY   CA   C  N N 190 
GLY   C    C  N N 191 
GLY   O    O  N N 192 
GLY   OXT  O  N N 193 
GLY   H    H  N N 194 
GLY   H2   H  N N 195 
GLY   HA2  H  N N 196 
GLY   HA3  H  N N 197 
GLY   HXT  H  N N 198 
HIS   N    N  N N 199 
HIS   CA   C  N S 200 
HIS   C    C  N N 201 
HIS   O    O  N N 202 
HIS   CB   C  N N 203 
HIS   CG   C  Y N 204 
HIS   ND1  N  Y N 205 
HIS   CD2  C  Y N 206 
HIS   CE1  C  Y N 207 
HIS   NE2  N  Y N 208 
HIS   OXT  O  N N 209 
HIS   H    H  N N 210 
HIS   H2   H  N N 211 
HIS   HA   H  N N 212 
HIS   HB2  H  N N 213 
HIS   HB3  H  N N 214 
HIS   HD1  H  N N 215 
HIS   HD2  H  N N 216 
HIS   HE1  H  N N 217 
HIS   HE2  H  N N 218 
HIS   HXT  H  N N 219 
HOH   O    O  N N 220 
HOH   H1   H  N N 221 
HOH   H2   H  N N 222 
ILE   N    N  N N 223 
ILE   CA   C  N S 224 
ILE   C    C  N N 225 
ILE   O    O  N N 226 
ILE   CB   C  N S 227 
ILE   CG1  C  N N 228 
ILE   CG2  C  N N 229 
ILE   CD1  C  N N 230 
ILE   OXT  O  N N 231 
ILE   H    H  N N 232 
ILE   H2   H  N N 233 
ILE   HA   H  N N 234 
ILE   HB   H  N N 235 
ILE   HG12 H  N N 236 
ILE   HG13 H  N N 237 
ILE   HG21 H  N N 238 
ILE   HG22 H  N N 239 
ILE   HG23 H  N N 240 
ILE   HD11 H  N N 241 
ILE   HD12 H  N N 242 
ILE   HD13 H  N N 243 
ILE   HXT  H  N N 244 
LEU   N    N  N N 245 
LEU   CA   C  N S 246 
LEU   C    C  N N 247 
LEU   O    O  N N 248 
LEU   CB   C  N N 249 
LEU   CG   C  N N 250 
LEU   CD1  C  N N 251 
LEU   CD2  C  N N 252 
LEU   OXT  O  N N 253 
LEU   H    H  N N 254 
LEU   H2   H  N N 255 
LEU   HA   H  N N 256 
LEU   HB2  H  N N 257 
LEU   HB3  H  N N 258 
LEU   HG   H  N N 259 
LEU   HD11 H  N N 260 
LEU   HD12 H  N N 261 
LEU   HD13 H  N N 262 
LEU   HD21 H  N N 263 
LEU   HD22 H  N N 264 
LEU   HD23 H  N N 265 
LEU   HXT  H  N N 266 
LYS   N    N  N N 267 
LYS   CA   C  N S 268 
LYS   C    C  N N 269 
LYS   O    O  N N 270 
LYS   CB   C  N N 271 
LYS   CG   C  N N 272 
LYS   CD   C  N N 273 
LYS   CE   C  N N 274 
LYS   NZ   N  N N 275 
LYS   OXT  O  N N 276 
LYS   H    H  N N 277 
LYS   H2   H  N N 278 
LYS   HA   H  N N 279 
LYS   HB2  H  N N 280 
LYS   HB3  H  N N 281 
LYS   HG2  H  N N 282 
LYS   HG3  H  N N 283 
LYS   HD2  H  N N 284 
LYS   HD3  H  N N 285 
LYS   HE2  H  N N 286 
LYS   HE3  H  N N 287 
LYS   HZ1  H  N N 288 
LYS   HZ2  H  N N 289 
LYS   HZ3  H  N N 290 
LYS   HXT  H  N N 291 
MET   N    N  N N 292 
MET   CA   C  N S 293 
MET   C    C  N N 294 
MET   O    O  N N 295 
MET   CB   C  N N 296 
MET   CG   C  N N 297 
MET   SD   S  N N 298 
MET   CE   C  N N 299 
MET   OXT  O  N N 300 
MET   H    H  N N 301 
MET   H2   H  N N 302 
MET   HA   H  N N 303 
MET   HB2  H  N N 304 
MET   HB3  H  N N 305 
MET   HG2  H  N N 306 
MET   HG3  H  N N 307 
MET   HE1  H  N N 308 
MET   HE2  H  N N 309 
MET   HE3  H  N N 310 
MET   HXT  H  N N 311 
PHE   N    N  N N 312 
PHE   CA   C  N S 313 
PHE   C    C  N N 314 
PHE   O    O  N N 315 
PHE   CB   C  N N 316 
PHE   CG   C  Y N 317 
PHE   CD1  C  Y N 318 
PHE   CD2  C  Y N 319 
PHE   CE1  C  Y N 320 
PHE   CE2  C  Y N 321 
PHE   CZ   C  Y N 322 
PHE   OXT  O  N N 323 
PHE   H    H  N N 324 
PHE   H2   H  N N 325 
PHE   HA   H  N N 326 
PHE   HB2  H  N N 327 
PHE   HB3  H  N N 328 
PHE   HD1  H  N N 329 
PHE   HD2  H  N N 330 
PHE   HE1  H  N N 331 
PHE   HE2  H  N N 332 
PHE   HZ   H  N N 333 
PHE   HXT  H  N N 334 
PRO   N    N  N N 335 
PRO   CA   C  N S 336 
PRO   C    C  N N 337 
PRO   O    O  N N 338 
PRO   CB   C  N N 339 
PRO   CG   C  N N 340 
PRO   CD   C  N N 341 
PRO   OXT  O  N N 342 
PRO   H    H  N N 343 
PRO   HA   H  N N 344 
PRO   HB2  H  N N 345 
PRO   HB3  H  N N 346 
PRO   HG2  H  N N 347 
PRO   HG3  H  N N 348 
PRO   HD2  H  N N 349 
PRO   HD3  H  N N 350 
PRO   HXT  H  N N 351 
SER   N    N  N N 352 
SER   CA   C  N S 353 
SER   C    C  N N 354 
SER   O    O  N N 355 
SER   CB   C  N N 356 
SER   OG   O  N N 357 
SER   OXT  O  N N 358 
SER   H    H  N N 359 
SER   H2   H  N N 360 
SER   HA   H  N N 361 
SER   HB2  H  N N 362 
SER   HB3  H  N N 363 
SER   HG   H  N N 364 
SER   HXT  H  N N 365 
THR   N    N  N N 366 
THR   CA   C  N S 367 
THR   C    C  N N 368 
THR   O    O  N N 369 
THR   CB   C  N R 370 
THR   OG1  O  N N 371 
THR   CG2  C  N N 372 
THR   OXT  O  N N 373 
THR   H    H  N N 374 
THR   H2   H  N N 375 
THR   HA   H  N N 376 
THR   HB   H  N N 377 
THR   HG1  H  N N 378 
THR   HG21 H  N N 379 
THR   HG22 H  N N 380 
THR   HG23 H  N N 381 
THR   HXT  H  N N 382 
TRP   N    N  N N 383 
TRP   CA   C  N S 384 
TRP   C    C  N N 385 
TRP   O    O  N N 386 
TRP   CB   C  N N 387 
TRP   CG   C  Y N 388 
TRP   CD1  C  Y N 389 
TRP   CD2  C  Y N 390 
TRP   NE1  N  Y N 391 
TRP   CE2  C  Y N 392 
TRP   CE3  C  Y N 393 
TRP   CZ2  C  Y N 394 
TRP   CZ3  C  Y N 395 
TRP   CH2  C  Y N 396 
TRP   OXT  O  N N 397 
TRP   H    H  N N 398 
TRP   H2   H  N N 399 
TRP   HA   H  N N 400 
TRP   HB2  H  N N 401 
TRP   HB3  H  N N 402 
TRP   HD1  H  N N 403 
TRP   HE1  H  N N 404 
TRP   HE3  H  N N 405 
TRP   HZ2  H  N N 406 
TRP   HZ3  H  N N 407 
TRP   HH2  H  N N 408 
TRP   HXT  H  N N 409 
TYR   N    N  N N 410 
TYR   CA   C  N S 411 
TYR   C    C  N N 412 
TYR   O    O  N N 413 
TYR   CB   C  N N 414 
TYR   CG   C  Y N 415 
TYR   CD1  C  Y N 416 
TYR   CD2  C  Y N 417 
TYR   CE1  C  Y N 418 
TYR   CE2  C  Y N 419 
TYR   CZ   C  Y N 420 
TYR   OH   O  N N 421 
TYR   OXT  O  N N 422 
TYR   H    H  N N 423 
TYR   H2   H  N N 424 
TYR   HA   H  N N 425 
TYR   HB2  H  N N 426 
TYR   HB3  H  N N 427 
TYR   HD1  H  N N 428 
TYR   HD2  H  N N 429 
TYR   HE1  H  N N 430 
TYR   HE2  H  N N 431 
TYR   HH   H  N N 432 
TYR   HXT  H  N N 433 
VAL   N    N  N N 434 
VAL   CA   C  N S 435 
VAL   C    C  N N 436 
VAL   O    O  N N 437 
VAL   CB   C  N N 438 
VAL   CG1  C  N N 439 
VAL   CG2  C  N N 440 
VAL   OXT  O  N N 441 
VAL   H    H  N N 442 
VAL   H2   H  N N 443 
VAL   HA   H  N N 444 
VAL   HB   H  N N 445 
VAL   HG11 H  N N 446 
VAL   HG12 H  N N 447 
VAL   HG13 H  N N 448 
VAL   HG21 H  N N 449 
VAL   HG22 H  N N 450 
VAL   HG23 H  N N 451 
VAL   HXT  H  N N 452 
# 
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal 
A1L0R F3  C23  sing N N 1   
A1L0R C23 F4   sing N N 2   
A1L0R C23 F2   sing N N 3   
A1L0R C23 C18  sing N N 4   
A1L0R C19 C20  doub Y N 5   
A1L0R C19 C18  sing Y N 6   
A1L0R C20 C21  sing Y N 7   
A1L0R C18 C17  doub Y N 8   
A1L0R C21 C22  doub Y N 9   
A1L0R C21 CL   sing N N 10  
A1L0R C17 C22  sing Y N 11  
A1L0R C17 N5   sing N N 12  
A1L0R N4  N3   doub Y N 13  
A1L0R N4  N2   sing Y N 14  
A1L0R O3  C7   sing N N 15  
A1L0R N3  C9   sing Y N 16  
A1L0R N5  C1   sing N N 17  
A1L0R N5  C16  sing N N 18  
A1L0R S   C16  doub N N 19  
A1L0R C2  C7   sing N N 20  
A1L0R C2  C1   sing N N 21  
A1L0R C2  O    sing N N 22  
A1L0R C6  N2   sing N N 23  
A1L0R C6  C7   sing N N 24  
A1L0R C6  C5   sing N N 25  
A1L0R N2  C8   sing Y N 26  
A1L0R C1  N1   doub N N 27  
A1L0R C16 N    sing N N 28  
A1L0R C15 C14  doub Y N 29  
A1L0R C15 C10  sing Y N 30  
A1L0R C9  C8   doub Y N 31  
A1L0R C9  C10  sing N N 32  
A1L0R C3  O    sing N N 33  
A1L0R C3  C5   sing N N 34  
A1L0R C3  C4   sing N N 35  
A1L0R N1  N    sing N N 36  
A1L0R N   C    sing N N 37  
A1L0R C14 C13  sing Y N 38  
A1L0R C5  O2   sing N N 39  
A1L0R C10 C11  doub Y N 40  
A1L0R O1  C4   sing N N 41  
A1L0R C13 BR   sing N N 42  
A1L0R C13 C12  doub Y N 43  
A1L0R C11 C12  sing Y N 44  
A1L0R C11 F    sing N N 45  
A1L0R C12 F1   sing N N 46  
A1L0R C15 H15  sing N N 47  
A1L0R C19 H16  sing N N 48  
A1L0R C20 H17  sing N N 49  
A1L0R C22 H18  sing N N 50  
A1L0R C   H7   sing N N 51  
A1L0R C   H5   sing N N 52  
A1L0R C   H6   sing N N 53  
A1L0R C2  H    sing N N 54  
A1L0R C7  H4   sing N N 55  
A1L0R O3  H12  sing N N 56  
A1L0R C6  H3   sing N N 57  
A1L0R C5  H2   sing N N 58  
A1L0R O2  H11  sing N N 59  
A1L0R C3  H1   sing N N 60  
A1L0R C4  H9   sing N N 61  
A1L0R C4  H8   sing N N 62  
A1L0R O1  H10  sing N N 63  
A1L0R C8  H13  sing N N 64  
A1L0R C14 H14  sing N N 65  
ALA   N   CA   sing N N 66  
ALA   N   H    sing N N 67  
ALA   N   H2   sing N N 68  
ALA   CA  C    sing N N 69  
ALA   CA  CB   sing N N 70  
ALA   CA  HA   sing N N 71  
ALA   C   O    doub N N 72  
ALA   C   OXT  sing N N 73  
ALA   CB  HB1  sing N N 74  
ALA   CB  HB2  sing N N 75  
ALA   CB  HB3  sing N N 76  
ALA   OXT HXT  sing N N 77  
ARG   N   CA   sing N N 78  
ARG   N   H    sing N N 79  
ARG   N   H2   sing N N 80  
ARG   CA  C    sing N N 81  
ARG   CA  CB   sing N N 82  
ARG   CA  HA   sing N N 83  
ARG   C   O    doub N N 84  
ARG   C   OXT  sing N N 85  
ARG   CB  CG   sing N N 86  
ARG   CB  HB2  sing N N 87  
ARG   CB  HB3  sing N N 88  
ARG   CG  CD   sing N N 89  
ARG   CG  HG2  sing N N 90  
ARG   CG  HG3  sing N N 91  
ARG   CD  NE   sing N N 92  
ARG   CD  HD2  sing N N 93  
ARG   CD  HD3  sing N N 94  
ARG   NE  CZ   sing N N 95  
ARG   NE  HE   sing N N 96  
ARG   CZ  NH1  sing N N 97  
ARG   CZ  NH2  doub N N 98  
ARG   NH1 HH11 sing N N 99  
ARG   NH1 HH12 sing N N 100 
ARG   NH2 HH21 sing N N 101 
ARG   NH2 HH22 sing N N 102 
ARG   OXT HXT  sing N N 103 
ASN   N   CA   sing N N 104 
ASN   N   H    sing N N 105 
ASN   N   H2   sing N N 106 
ASN   CA  C    sing N N 107 
ASN   CA  CB   sing N N 108 
ASN   CA  HA   sing N N 109 
ASN   C   O    doub N N 110 
ASN   C   OXT  sing N N 111 
ASN   CB  CG   sing N N 112 
ASN   CB  HB2  sing N N 113 
ASN   CB  HB3  sing N N 114 
ASN   CG  OD1  doub N N 115 
ASN   CG  ND2  sing N N 116 
ASN   ND2 HD21 sing N N 117 
ASN   ND2 HD22 sing N N 118 
ASN   OXT HXT  sing N N 119 
ASP   N   CA   sing N N 120 
ASP   N   H    sing N N 121 
ASP   N   H2   sing N N 122 
ASP   CA  C    sing N N 123 
ASP   CA  CB   sing N N 124 
ASP   CA  HA   sing N N 125 
ASP   C   O    doub N N 126 
ASP   C   OXT  sing N N 127 
ASP   CB  CG   sing N N 128 
ASP   CB  HB2  sing N N 129 
ASP   CB  HB3  sing N N 130 
ASP   CG  OD1  doub N N 131 
ASP   CG  OD2  sing N N 132 
ASP   OD2 HD2  sing N N 133 
ASP   OXT HXT  sing N N 134 
CYS   N   CA   sing N N 135 
CYS   N   H    sing N N 136 
CYS   N   H2   sing N N 137 
CYS   CA  C    sing N N 138 
CYS   CA  CB   sing N N 139 
CYS   CA  HA   sing N N 140 
CYS   C   O    doub N N 141 
CYS   C   OXT  sing N N 142 
CYS   CB  SG   sing N N 143 
CYS   CB  HB2  sing N N 144 
CYS   CB  HB3  sing N N 145 
CYS   SG  HG   sing N N 146 
CYS   OXT HXT  sing N N 147 
GLN   N   CA   sing N N 148 
GLN   N   H    sing N N 149 
GLN   N   H2   sing N N 150 
GLN   CA  C    sing N N 151 
GLN   CA  CB   sing N N 152 
GLN   CA  HA   sing N N 153 
GLN   C   O    doub N N 154 
GLN   C   OXT  sing N N 155 
GLN   CB  CG   sing N N 156 
GLN   CB  HB2  sing N N 157 
GLN   CB  HB3  sing N N 158 
GLN   CG  CD   sing N N 159 
GLN   CG  HG2  sing N N 160 
GLN   CG  HG3  sing N N 161 
GLN   CD  OE1  doub N N 162 
GLN   CD  NE2  sing N N 163 
GLN   NE2 HE21 sing N N 164 
GLN   NE2 HE22 sing N N 165 
GLN   OXT HXT  sing N N 166 
GLU   N   CA   sing N N 167 
GLU   N   H    sing N N 168 
GLU   N   H2   sing N N 169 
GLU   CA  C    sing N N 170 
GLU   CA  CB   sing N N 171 
GLU   CA  HA   sing N N 172 
GLU   C   O    doub N N 173 
GLU   C   OXT  sing N N 174 
GLU   CB  CG   sing N N 175 
GLU   CB  HB2  sing N N 176 
GLU   CB  HB3  sing N N 177 
GLU   CG  CD   sing N N 178 
GLU   CG  HG2  sing N N 179 
GLU   CG  HG3  sing N N 180 
GLU   CD  OE1  doub N N 181 
GLU   CD  OE2  sing N N 182 
GLU   OE2 HE2  sing N N 183 
GLU   OXT HXT  sing N N 184 
GLY   N   CA   sing N N 185 
GLY   N   H    sing N N 186 
GLY   N   H2   sing N N 187 
GLY   CA  C    sing N N 188 
GLY   CA  HA2  sing N N 189 
GLY   CA  HA3  sing N N 190 
GLY   C   O    doub N N 191 
GLY   C   OXT  sing N N 192 
GLY   OXT HXT  sing N N 193 
HIS   N   CA   sing N N 194 
HIS   N   H    sing N N 195 
HIS   N   H2   sing N N 196 
HIS   CA  C    sing N N 197 
HIS   CA  CB   sing N N 198 
HIS   CA  HA   sing N N 199 
HIS   C   O    doub N N 200 
HIS   C   OXT  sing N N 201 
HIS   CB  CG   sing N N 202 
HIS   CB  HB2  sing N N 203 
HIS   CB  HB3  sing N N 204 
HIS   CG  ND1  sing Y N 205 
HIS   CG  CD2  doub Y N 206 
HIS   ND1 CE1  doub Y N 207 
HIS   ND1 HD1  sing N N 208 
HIS   CD2 NE2  sing Y N 209 
HIS   CD2 HD2  sing N N 210 
HIS   CE1 NE2  sing Y N 211 
HIS   CE1 HE1  sing N N 212 
HIS   NE2 HE2  sing N N 213 
HIS   OXT HXT  sing N N 214 
HOH   O   H1   sing N N 215 
HOH   O   H2   sing N N 216 
ILE   N   CA   sing N N 217 
ILE   N   H    sing N N 218 
ILE   N   H2   sing N N 219 
ILE   CA  C    sing N N 220 
ILE   CA  CB   sing N N 221 
ILE   CA  HA   sing N N 222 
ILE   C   O    doub N N 223 
ILE   C   OXT  sing N N 224 
ILE   CB  CG1  sing N N 225 
ILE   CB  CG2  sing N N 226 
ILE   CB  HB   sing N N 227 
ILE   CG1 CD1  sing N N 228 
ILE   CG1 HG12 sing N N 229 
ILE   CG1 HG13 sing N N 230 
ILE   CG2 HG21 sing N N 231 
ILE   CG2 HG22 sing N N 232 
ILE   CG2 HG23 sing N N 233 
ILE   CD1 HD11 sing N N 234 
ILE   CD1 HD12 sing N N 235 
ILE   CD1 HD13 sing N N 236 
ILE   OXT HXT  sing N N 237 
LEU   N   CA   sing N N 238 
LEU   N   H    sing N N 239 
LEU   N   H2   sing N N 240 
LEU   CA  C    sing N N 241 
LEU   CA  CB   sing N N 242 
LEU   CA  HA   sing N N 243 
LEU   C   O    doub N N 244 
LEU   C   OXT  sing N N 245 
LEU   CB  CG   sing N N 246 
LEU   CB  HB2  sing N N 247 
LEU   CB  HB3  sing N N 248 
LEU   CG  CD1  sing N N 249 
LEU   CG  CD2  sing N N 250 
LEU   CG  HG   sing N N 251 
LEU   CD1 HD11 sing N N 252 
LEU   CD1 HD12 sing N N 253 
LEU   CD1 HD13 sing N N 254 
LEU   CD2 HD21 sing N N 255 
LEU   CD2 HD22 sing N N 256 
LEU   CD2 HD23 sing N N 257 
LEU   OXT HXT  sing N N 258 
LYS   N   CA   sing N N 259 
LYS   N   H    sing N N 260 
LYS   N   H2   sing N N 261 
LYS   CA  C    sing N N 262 
LYS   CA  CB   sing N N 263 
LYS   CA  HA   sing N N 264 
LYS   C   O    doub N N 265 
LYS   C   OXT  sing N N 266 
LYS   CB  CG   sing N N 267 
LYS   CB  HB2  sing N N 268 
LYS   CB  HB3  sing N N 269 
LYS   CG  CD   sing N N 270 
LYS   CG  HG2  sing N N 271 
LYS   CG  HG3  sing N N 272 
LYS   CD  CE   sing N N 273 
LYS   CD  HD2  sing N N 274 
LYS   CD  HD3  sing N N 275 
LYS   CE  NZ   sing N N 276 
LYS   CE  HE2  sing N N 277 
LYS   CE  HE3  sing N N 278 
LYS   NZ  HZ1  sing N N 279 
LYS   NZ  HZ2  sing N N 280 
LYS   NZ  HZ3  sing N N 281 
LYS   OXT HXT  sing N N 282 
MET   N   CA   sing N N 283 
MET   N   H    sing N N 284 
MET   N   H2   sing N N 285 
MET   CA  C    sing N N 286 
MET   CA  CB   sing N N 287 
MET   CA  HA   sing N N 288 
MET   C   O    doub N N 289 
MET   C   OXT  sing N N 290 
MET   CB  CG   sing N N 291 
MET   CB  HB2  sing N N 292 
MET   CB  HB3  sing N N 293 
MET   CG  SD   sing N N 294 
MET   CG  HG2  sing N N 295 
MET   CG  HG3  sing N N 296 
MET   SD  CE   sing N N 297 
MET   CE  HE1  sing N N 298 
MET   CE  HE2  sing N N 299 
MET   CE  HE3  sing N N 300 
MET   OXT HXT  sing N N 301 
PHE   N   CA   sing N N 302 
PHE   N   H    sing N N 303 
PHE   N   H2   sing N N 304 
PHE   CA  C    sing N N 305 
PHE   CA  CB   sing N N 306 
PHE   CA  HA   sing N N 307 
PHE   C   O    doub N N 308 
PHE   C   OXT  sing N N 309 
PHE   CB  CG   sing N N 310 
PHE   CB  HB2  sing N N 311 
PHE   CB  HB3  sing N N 312 
PHE   CG  CD1  doub Y N 313 
PHE   CG  CD2  sing Y N 314 
PHE   CD1 CE1  sing Y N 315 
PHE   CD1 HD1  sing N N 316 
PHE   CD2 CE2  doub Y N 317 
PHE   CD2 HD2  sing N N 318 
PHE   CE1 CZ   doub Y N 319 
PHE   CE1 HE1  sing N N 320 
PHE   CE2 CZ   sing Y N 321 
PHE   CE2 HE2  sing N N 322 
PHE   CZ  HZ   sing N N 323 
PHE   OXT HXT  sing N N 324 
PRO   N   CA   sing N N 325 
PRO   N   CD   sing N N 326 
PRO   N   H    sing N N 327 
PRO   CA  C    sing N N 328 
PRO   CA  CB   sing N N 329 
PRO   CA  HA   sing N N 330 
PRO   C   O    doub N N 331 
PRO   C   OXT  sing N N 332 
PRO   CB  CG   sing N N 333 
PRO   CB  HB2  sing N N 334 
PRO   CB  HB3  sing N N 335 
PRO   CG  CD   sing N N 336 
PRO   CG  HG2  sing N N 337 
PRO   CG  HG3  sing N N 338 
PRO   CD  HD2  sing N N 339 
PRO   CD  HD3  sing N N 340 
PRO   OXT HXT  sing N N 341 
SER   N   CA   sing N N 342 
SER   N   H    sing N N 343 
SER   N   H2   sing N N 344 
SER   CA  C    sing N N 345 
SER   CA  CB   sing N N 346 
SER   CA  HA   sing N N 347 
SER   C   O    doub N N 348 
SER   C   OXT  sing N N 349 
SER   CB  OG   sing N N 350 
SER   CB  HB2  sing N N 351 
SER   CB  HB3  sing N N 352 
SER   OG  HG   sing N N 353 
SER   OXT HXT  sing N N 354 
THR   N   CA   sing N N 355 
THR   N   H    sing N N 356 
THR   N   H2   sing N N 357 
THR   CA  C    sing N N 358 
THR   CA  CB   sing N N 359 
THR   CA  HA   sing N N 360 
THR   C   O    doub N N 361 
THR   C   OXT  sing N N 362 
THR   CB  OG1  sing N N 363 
THR   CB  CG2  sing N N 364 
THR   CB  HB   sing N N 365 
THR   OG1 HG1  sing N N 366 
THR   CG2 HG21 sing N N 367 
THR   CG2 HG22 sing N N 368 
THR   CG2 HG23 sing N N 369 
THR   OXT HXT  sing N N 370 
TRP   N   CA   sing N N 371 
TRP   N   H    sing N N 372 
TRP   N   H2   sing N N 373 
TRP   CA  C    sing N N 374 
TRP   CA  CB   sing N N 375 
TRP   CA  HA   sing N N 376 
TRP   C   O    doub N N 377 
TRP   C   OXT  sing N N 378 
TRP   CB  CG   sing N N 379 
TRP   CB  HB2  sing N N 380 
TRP   CB  HB3  sing N N 381 
TRP   CG  CD1  doub Y N 382 
TRP   CG  CD2  sing Y N 383 
TRP   CD1 NE1  sing Y N 384 
TRP   CD1 HD1  sing N N 385 
TRP   CD2 CE2  doub Y N 386 
TRP   CD2 CE3  sing Y N 387 
TRP   NE1 CE2  sing Y N 388 
TRP   NE1 HE1  sing N N 389 
TRP   CE2 CZ2  sing Y N 390 
TRP   CE3 CZ3  doub Y N 391 
TRP   CE3 HE3  sing N N 392 
TRP   CZ2 CH2  doub Y N 393 
TRP   CZ2 HZ2  sing N N 394 
TRP   CZ3 CH2  sing Y N 395 
TRP   CZ3 HZ3  sing N N 396 
TRP   CH2 HH2  sing N N 397 
TRP   OXT HXT  sing N N 398 
TYR   N   CA   sing N N 399 
TYR   N   H    sing N N 400 
TYR   N   H2   sing N N 401 
TYR   CA  C    sing N N 402 
TYR   CA  CB   sing N N 403 
TYR   CA  HA   sing N N 404 
TYR   C   O    doub N N 405 
TYR   C   OXT  sing N N 406 
TYR   CB  CG   sing N N 407 
TYR   CB  HB2  sing N N 408 
TYR   CB  HB3  sing N N 409 
TYR   CG  CD1  doub Y N 410 
TYR   CG  CD2  sing Y N 411 
TYR   CD1 CE1  sing Y N 412 
TYR   CD1 HD1  sing N N 413 
TYR   CD2 CE2  doub Y N 414 
TYR   CD2 HD2  sing N N 415 
TYR   CE1 CZ   doub Y N 416 
TYR   CE1 HE1  sing N N 417 
TYR   CE2 CZ   sing Y N 418 
TYR   CE2 HE2  sing N N 419 
TYR   CZ  OH   sing N N 420 
TYR   OH  HH   sing N N 421 
TYR   OXT HXT  sing N N 422 
VAL   N   CA   sing N N 423 
VAL   N   H    sing N N 424 
VAL   N   H2   sing N N 425 
VAL   CA  C    sing N N 426 
VAL   CA  CB   sing N N 427 
VAL   CA  HA   sing N N 428 
VAL   C   O    doub N N 429 
VAL   C   OXT  sing N N 430 
VAL   CB  CG1  sing N N 431 
VAL   CB  CG2  sing N N 432 
VAL   CB  HB   sing N N 433 
VAL   CG1 HG11 sing N N 434 
VAL   CG1 HG12 sing N N 435 
VAL   CG1 HG13 sing N N 436 
VAL   CG2 HG21 sing N N 437 
VAL   CG2 HG22 sing N N 438 
VAL   CG2 HG23 sing N N 439 
VAL   OXT HXT  sing N N 440 
# 
_pdbx_audit_support.funding_organization   'Other private' 
_pdbx_audit_support.country                ? 
_pdbx_audit_support.grant_number           ? 
_pdbx_audit_support.ordinal                1 
# 
_pdbx_initial_refinement_model.id               1 
_pdbx_initial_refinement_model.entity_id_list   ? 
_pdbx_initial_refinement_model.type             'experimental model' 
_pdbx_initial_refinement_model.source_name      PDB 
_pdbx_initial_refinement_model.accession_code   8ITZ 
_pdbx_initial_refinement_model.details          ? 
# 
_atom_sites.entry_id                    8ZUV 
_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]   0.027215 
_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]   0.017209 
_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]   0.015882 
_atom_sites.fract_transf_vector[1]      0.00000 
_atom_sites.fract_transf_vector[2]      0.00000 
_atom_sites.fract_transf_vector[3]      0.00000 
_atom_sites.solution_primary            ? 
_atom_sites.solution_secondary          ? 
_atom_sites.solution_hydrogens          ? 
_atom_sites.special_details             ? 
# 
loop_
_atom_type.symbol 
BR 
C  
CL 
F  
H  
N  
O  
S  
# 
loop_
_atom_site.group_PDB 
_atom_site.id 
_atom_site.type_symbol 
_atom_site.label_atom_id 
_atom_site.label_alt_id 
_atom_site.label_comp_id 
_atom_site.label_asym_id 
_atom_site.label_entity_id 
_atom_site.label_seq_id 
_atom_site.pdbx_PDB_ins_code 
_atom_site.Cartn_x 
_atom_site.Cartn_y 
_atom_site.Cartn_z 
_atom_site.occupancy 
_atom_site.B_iso_or_equiv 
_atom_site.pdbx_formal_charge 
_atom_site.auth_seq_id 
_atom_site.auth_comp_id 
_atom_site.auth_asym_id 
_atom_site.auth_atom_id 
_atom_site.pdbx_PDB_model_num 
ATOM   1    N  N    . PRO   A 1 9   ? 25.032  62.219 73.135 1.00 30.90  ? 113 PRO   A N    1 
ATOM   2    C  CA   . PRO   A 1 9   ? 23.832  62.780 72.477 1.00 27.61  ? 113 PRO   A CA   1 
ATOM   3    C  C    . PRO   A 1 9   ? 23.642  62.200 71.079 1.00 26.90  ? 113 PRO   A C    1 
ATOM   4    O  O    . PRO   A 1 9   ? 24.621  61.878 70.376 1.00 27.14  ? 113 PRO   A O    1 
ATOM   5    C  CB   . PRO   A 1 9   ? 24.055  64.290 72.374 1.00 30.23  ? 113 PRO   A CB   1 
ATOM   6    C  CG   . PRO   A 1 9   ? 25.552  64.428 72.485 1.00 31.01  ? 113 PRO   A CG   1 
ATOM   7    C  CD   . PRO   A 1 9   ? 25.992  63.296 73.393 1.00 31.84  ? 113 PRO   A CD   1 
ATOM   8    H  HA   . PRO   A 1 9   ? 23.035  62.599 73.036 1.00 28.55  ? 113 PRO   A HA   1 
ATOM   9    H  HB2  . PRO   A 1 9   ? 23.731  64.640 71.517 1.00 29.77  ? 113 PRO   A HB2  1 
ATOM   10   H  HB3  . PRO   A 1 9   ? 23.603  64.764 73.105 1.00 29.77  ? 113 PRO   A HB3  1 
ATOM   11   H  HG2  . PRO   A 1 9   ? 25.974  64.348 71.605 1.00 31.02  ? 113 PRO   A HG2  1 
ATOM   12   H  HG3  . PRO   A 1 9   ? 25.793  65.294 72.872 1.00 31.02  ? 113 PRO   A HG3  1 
ATOM   13   H  HD2  . PRO   A 1 9   ? 26.899  63.009 73.178 1.00 31.42  ? 113 PRO   A HD2  1 
ATOM   14   H  HD3  . PRO   A 1 9   ? 25.963  63.568 74.329 1.00 31.42  ? 113 PRO   A HD3  1 
ATOM   15   N  N    . LEU   A 1 10  ? 22.367  62.058 70.681 1.00 24.20  ? 114 LEU   A N    1 
ATOM   16   C  CA   . LEU   A 1 10  ? 22.002  61.636 69.334 1.00 20.51  ? 114 LEU   A CA   1 
ATOM   17   C  C    . LEU   A 1 10  ? 21.400  62.826 68.587 1.00 21.56  ? 114 LEU   A C    1 
ATOM   18   O  O    . LEU   A 1 10  ? 20.724  63.665 69.191 1.00 26.02  ? 114 LEU   A O    1 
ATOM   19   C  CB   . LEU   A 1 10  ? 20.996  60.483 69.395 1.00 20.18  ? 114 LEU   A CB   1 
ATOM   20   C  CG   . LEU   A 1 10  ? 21.474  59.224 70.114 1.00 22.04  ? 114 LEU   A CG   1 
ATOM   21   C  CD1  . LEU   A 1 10  ? 20.350  58.195 70.239 1.00 22.98  ? 114 LEU   A CD1  1 
ATOM   22   C  CD2  . LEU   A 1 10  ? 22.701  58.610 69.429 1.00 25.45  ? 114 LEU   A CD2  1 
ATOM   23   H  H    . LEU   A 1 10  ? 21.626  62.250 71.340 1.00 23.88  ? 114 LEU   A H    1 
ATOM   24   H  HA   . LEU   A 1 10  ? 22.814  61.342 68.861 1.00 21.33  ? 114 LEU   A HA   1 
ATOM   25   H  HB2  . LEU   A 1 10  ? 20.187  60.806 69.841 1.00 20.68  ? 114 LEU   A HB2  1 
ATOM   26   H  HB3  . LEU   A 1 10  ? 20.750  60.242 68.479 1.00 20.68  ? 114 LEU   A HB3  1 
ATOM   27   H  HG   . LEU   A 1 10  ? 21.742  59.485 71.030 1.00 22.46  ? 114 LEU   A HG   1 
ATOM   28   H  HD11 . LEU   A 1 10  ? 19.681  58.519 70.867 1.00 22.69  ? 114 LEU   A HD11 1 
ATOM   29   H  HD12 . LEU   A 1 10  ? 20.713  57.351 70.560 1.00 22.69  ? 114 LEU   A HD12 1 
ATOM   30   H  HD13 . LEU   A 1 10  ? 19.936  58.058 69.368 1.00 22.69  ? 114 LEU   A HD13 1 
ATOM   31   H  HD21 . LEU   A 1 10  ? 22.532  58.527 68.474 1.00 24.34  ? 114 LEU   A HD21 1 
ATOM   32   H  HD22 . LEU   A 1 10  ? 22.877  57.730 69.804 1.00 24.34  ? 114 LEU   A HD22 1 
ATOM   33   H  HD23 . LEU   A 1 10  ? 23.474  59.183 69.573 1.00 24.33  ? 114 LEU   A HD23 1 
ATOM   34   N  N    . ILE   A 1 11  ? 21.630  62.922 67.271 1.00 18.32  ? 115 ILE   A N    1 
ATOM   35   C  CA   . ILE   A 1 11  ? 21.115  64.036 66.473 1.00 18.25  ? 115 ILE   A CA   1 
ATOM   36   C  C    . ILE   A 1 11  ? 19.638  63.775 66.140 1.00 17.84  ? 115 ILE   A C    1 
ATOM   37   O  O    . ILE   A 1 11  ? 19.290  62.726 65.611 1.00 19.47  ? 115 ILE   A O    1 
ATOM   38   C  CB   . ILE   A 1 11  ? 21.958  64.241 65.202 1.00 19.16  ? 115 ILE   A CB   1 
ATOM   39   C  CG1  . ILE   A 1 11  ? 23.405  64.685 65.486 1.00 21.84  ? 115 ILE   A CG1  1 
ATOM   40   C  CG2  . ILE   A 1 11  ? 21.246  65.210 64.246 1.00 22.45  ? 115 ILE   A CG2  1 
ATOM   41   H  H    . ILE   A 1 11  ? 22.174  62.206 66.812 1.00 19.03  ? 115 ILE   A H    1 
ATOM   42   H  HA   . ILE   A 1 11  ? 21.174  64.848 67.007 1.00 18.36  ? 115 ILE   A HA   1 
ATOM   43   H  HB   . ILE   A 1 11  ? 22.009  63.366 64.745 1.00 20.06  ? 115 ILE   A HB   1 
ATOM   44   H  HG12 . ILE   A 1 11  ? 23.383  65.539 65.968 1.00 20.98  ? 115 ILE   A HG12 1 
ATOM   45   H  HG13 . ILE   A 1 11  ? 23.893  63.942 66.043 0.00 17.80  ? 115 ILE   A HG13 1 
ATOM   46   H  HG21 . ILE   A 1 11  ? 20.577  64.728 63.729 1.00 21.37  ? 115 ILE   A HG21 1 
ATOM   47   H  HG22 . ILE   A 1 11  ? 21.896  65.606 63.640 1.00 21.37  ? 115 ILE   A HG22 1 
ATOM   48   H  HG23 . ILE   A 1 11  ? 20.813  65.916 64.757 1.00 21.36  ? 115 ILE   A HG23 1 
ATOM   49   N  N    . VAL   A 1 12  ? 18.798  64.786 66.379 1.00 16.21  ? 116 VAL   A N    1 
ATOM   50   C  CA   . VAL   A 1 12  ? 17.394  64.751 66.020 1.00 18.18  ? 116 VAL   A CA   1 
ATOM   51   C  C    . VAL   A 1 12  ? 17.191  65.569 64.753 1.00 16.33  ? 116 VAL   A C    1 
ATOM   52   O  O    . VAL   A 1 12  ? 17.708  66.690 64.647 1.00 19.33  ? 116 VAL   A O    1 
ATOM   53   C  CB   . VAL   A 1 12  ? 16.588  65.293 67.214 1.00 20.51  ? 116 VAL   A CB   1 
ATOM   54   C  CG1  . VAL   A 1 12  ? 15.107  65.469 66.948 1.00 20.30  ? 116 VAL   A CG1  1 
ATOM   55   C  CG2  . VAL   A 1 12  ? 16.797  64.409 68.423 1.00 23.05  ? 116 VAL   A CG2  1 
ATOM   56   H  H    . VAL   A 1 12  ? 19.155  65.616 66.831 1.00 17.05  ? 116 VAL   A H    1 
ATOM   57   H  HA   . VAL   A 1 12  ? 17.133  63.831 65.855 1.00 17.84  ? 116 VAL   A HA   1 
ATOM   58   H  HB   . VAL   A 1 12  ? 16.956  66.184 67.433 1.00 20.45  ? 116 VAL   A HB   1 
ATOM   59   H  HG11 . VAL   A 1 12  ? 14.978  66.067 66.192 1.00 20.35  ? 116 VAL   A HG11 1 
ATOM   60   H  HG12 . VAL   A 1 12  ? 14.678  65.847 67.735 1.00 20.36  ? 116 VAL   A HG12 1 
ATOM   61   H  HG13 . VAL   A 1 12  ? 14.710  64.604 66.748 1.00 20.34  ? 116 VAL   A HG13 1 
ATOM   62   H  HG21 . VAL   A 1 12  ? 16.675  63.477 68.170 1.00 22.22  ? 116 VAL   A HG21 1 
ATOM   63   H  HG22 . VAL   A 1 12  ? 16.152  64.643 69.113 1.00 22.22  ? 116 VAL   A HG22 1 
ATOM   64   H  HG23 . VAL   A 1 12  ? 17.698  64.535 68.768 1.00 22.22  ? 116 VAL   A HG23 1 
ATOM   65   N  N    . PRO   A 1 13  ? 16.405  65.153 63.749 1.00 15.78  ? 117 PRO   A N    1 
ATOM   66   C  CA   . PRO   A 1 13  ? 15.612  63.918 63.744 1.00 16.05  ? 117 PRO   A CA   1 
ATOM   67   C  C    . PRO   A 1 13  ? 16.494  62.689 63.618 1.00 17.06  ? 117 PRO   A C    1 
ATOM   68   O  O    . PRO   A 1 13  ? 17.500  62.721 62.918 1.00 19.67  ? 117 PRO   A O    1 
ATOM   69   C  CB   . PRO   A 1 13  ? 14.685  64.008 62.537 1.00 19.21  ? 117 PRO   A CB   1 
ATOM   70   C  CG   . PRO   A 1 13  ? 15.098  65.195 61.765 1.00 21.26  ? 117 PRO   A CG   1 
ATOM   71   C  CD   . PRO   A 1 13  ? 16.083  65.985 62.586 1.00 18.75  ? 117 PRO   A CD   1 
ATOM   72   H  HA   . PRO   A 1 13  ? 15.074  63.871 64.572 1.00 16.75  ? 117 PRO   A HA   1 
ATOM   73   H  HB2  . PRO   A 1 13  ? 14.757  63.200 61.985 1.00 18.85  ? 117 PRO   A HB2  1 
ATOM   74   H  HB3  . PRO   A 1 13  ? 13.754  64.099 62.828 1.00 18.85  ? 117 PRO   A HB3  1 
ATOM   75   H  HG2  . PRO   A 1 13  ? 15.511  64.919 60.921 1.00 20.16  ? 117 PRO   A HG2  1 
ATOM   76   H  HG3  . PRO   A 1 13  ? 14.317  65.747 61.554 1.00 20.18  ? 117 PRO   A HG3  1 
ATOM   77   H  HD2  . PRO   A 1 13  ? 16.887  66.175 62.068 1.00 18.54  ? 117 PRO   A HD2  1 
ATOM   78   H  HD3  . PRO   A 1 13  ? 15.691  66.832 62.869 1.00 18.54  ? 117 PRO   A HD3  1 
ATOM   79   N  N    . TYR   A 1 14  ? 16.086  61.622 64.293 1.00 14.54  ? 118 TYR   A N    1 
ATOM   80   C  CA   . TYR   A 1 14  ? 16.882  60.426 64.429 1.00 14.14  ? 118 TYR   A CA   1 
ATOM   81   C  C    . TYR   A 1 14  ? 16.087  59.277 63.840 1.00 14.59  ? 118 TYR   A C    1 
ATOM   82   O  O    . TYR   A 1 14  ? 14.933  59.107 64.178 1.00 17.03  ? 118 TYR   A O    1 
ATOM   83   C  CB   . TYR   A 1 14  ? 17.131  60.103 65.904 1.00 14.06  ? 118 TYR   A CB   1 
ATOM   84   C  CG   . TYR   A 1 14  ? 18.048  58.950 66.150 1.00 14.73  ? 118 TYR   A CG   1 
ATOM   85   C  CD1  . TYR   A 1 14  ? 19.417  59.120 66.035 1.00 16.55  ? 118 TYR   A CD1  1 
ATOM   86   C  CD2  . TYR   A 1 14  ? 17.577  57.698 66.470 1.00 14.67  ? 118 TYR   A CD2  1 
ATOM   87   C  CE1  . TYR   A 1 14  ? 20.284  58.053 66.236 1.00 17.66  ? 118 TYR   A CE1  1 
ATOM   88   C  CE2  . TYR   A 1 14  ? 18.434  56.616 66.676 1.00 16.15  ? 118 TYR   A CE2  1 
ATOM   89   C  CZ   . TYR   A 1 14  ? 19.794  56.796 66.535 1.00 17.75  ? 118 TYR   A CZ   1 
ATOM   90   O  OH   . TYR   A 1 14  ? 20.633  55.737 66.776 1.00 20.43  ? 118 TYR   A OH   1 
ATOM   91   H  H    . TYR   A 1 14  ? 15.175  61.643 64.730 1.00 15.00  ? 118 TYR   A H    1 
ATOM   92   H  HA   . TYR   A 1 14  ? 17.743  60.526 63.950 1.00 14.30  ? 118 TYR   A HA   1 
ATOM   93   H  HB2  . TYR   A 1 14  ? 17.506  60.899 66.334 1.00 14.24  ? 118 TYR   A HB2  1 
ATOM   94   H  HB3  . TYR   A 1 14  ? 16.268  59.915 66.329 1.00 14.24  ? 118 TYR   A HB3  1 
ATOM   95   H  HD1  . TYR   A 1 14  ? 19.766  59.966 65.808 1.00 16.35  ? 118 TYR   A HD1  1 
ATOM   96   H  HD2  . TYR   A 1 14  ? 16.646  57.564 66.544 1.00 15.16  ? 118 TYR   A HD2  1 
ATOM   97   H  HE1  . TYR   A 1 14  ? 21.214  58.184 66.155 1.00 17.28  ? 118 TYR   A HE1  1 
ATOM   98   H  HE2  . TYR   A 1 14  ? 18.087  55.767 66.895 1.00 16.17  ? 118 TYR   A HE2  1 
ATOM   99   H  HH   . TYR   A 1 14  ? 21.583  55.976 66.697 0.00 17.80  ? 118 TYR   A HH   1 
ATOM   100  N  N    . ASN   A 1 15  ? 16.753  58.427 63.085 1.00 13.93  ? 119 ASN   A N    1 
ATOM   101  C  CA   . ASN   A 1 15  ? 16.156  57.199 62.580 1.00 13.56  ? 119 ASN   A CA   1 
ATOM   102  C  C    . ASN   A 1 15  ? 16.736  55.982 63.296 1.00 15.85  ? 119 ASN   A C    1 
ATOM   103  O  O    . ASN   A 1 15  ? 17.948  55.727 63.333 1.00 15.81  ? 119 ASN   A O    1 
ATOM   104  C  CB   . ASN   A 1 15  ? 16.422  57.057 61.074 1.00 14.88  ? 119 ASN   A CB   1 
ATOM   105  C  CG   . ASN   A 1 15  ? 15.864  55.756 60.519 1.00 19.32  ? 119 ASN   A CG   1 
ATOM   106  O  OD1  . ASN   A 1 15  ? 14.658  55.569 60.542 1.00 19.82  ? 119 ASN   A OD1  1 
ATOM   107  N  ND2  . ASN   A 1 15  ? 16.718  54.819 60.092 1.00 22.23  ? 119 ASN   A ND2  1 
ATOM   108  H  H    . ASN   A 1 15  ? 17.714  58.629 62.846 1.00 14.00  ? 119 ASN   A H    1 
ATOM   109  H  HA   . ASN   A 1 15  ? 15.181  57.229 62.720 1.00 14.29  ? 119 ASN   A HA   1 
ATOM   110  H  HB2  . ASN   A 1 15  ? 16.009  57.811 60.604 1.00 15.49  ? 119 ASN   A HB2  1 
ATOM   111  H  HB3  . ASN   A 1 15  ? 17.387  57.090 60.915 1.00 15.50  ? 119 ASN   A HB3  1 
ATOM   112  H  HD21 . ASN   A 1 15  ? 16.412  54.073 59.729 1.00 21.28  ? 119 ASN   A HD21 1 
ATOM   113  H  HD22 . ASN   A 1 15  ? 17.590  54.945 60.171 1.00 21.25  ? 119 ASN   A HD22 1 
ATOM   114  N  N    . LEU   A 1 16  ? 15.853  55.191 63.916 1.00 12.47  ? 120 LEU   A N    1 
ATOM   115  C  CA   . LEU   A 1 16  ? 16.228  53.949 64.525 1.00 11.90  ? 120 LEU   A CA   1 
ATOM   116  C  C    . LEU   A 1 16  ? 15.718  52.848 63.605 1.00 11.29  ? 120 LEU   A C    1 
ATOM   117  O  O    . LEU   A 1 16  ? 14.533  52.540 63.581 1.00 12.13  ? 120 LEU   A O    1 
ATOM   118  C  CB   . LEU   A 1 16  ? 15.588  53.810 65.926 1.00 13.85  ? 120 LEU   A CB   1 
ATOM   119  C  CG   . LEU   A 1 16  ? 15.813  52.484 66.653 1.00 14.57  ? 120 LEU   A CG   1 
ATOM   120  C  CD1  . LEU   A 1 16  ? 17.298  52.342 67.003 1.00 16.00  ? 120 LEU   A CD1  1 
ATOM   121  C  CD2  . LEU   A 1 16  ? 14.935  52.369 67.877 1.00 14.90  ? 120 LEU   A CD2  1 
ATOM   122  H  H    . LEU   A 1 16  ? 14.885  55.475 63.960 1.00 13.06  ? 120 LEU   A H    1 
ATOM   123  H  HA   . LEU   A 1 16  ? 17.207  53.899 64.596 1.00 12.27  ? 120 LEU   A HA   1 
ATOM   124  H  HB2  . LEU   A 1 16  ? 15.934  54.531 66.490 1.00 13.52  ? 120 LEU   A HB2  1 
ATOM   125  H  HB3  . LEU   A 1 16  ? 14.624  53.950 65.835 1.00 13.51  ? 120 LEU   A HB3  1 
ATOM   126  H  HG   . LEU   A 1 16  ? 15.572  51.750 66.037 1.00 14.74  ? 120 LEU   A HG   1 
ATOM   127  H  HD11 . LEU   A 1 16  ? 17.816  52.233 66.186 1.00 15.53  ? 120 LEU   A HD11 1 
ATOM   128  H  HD12 . LEU   A 1 16  ? 17.425  51.563 67.572 1.00 15.54  ? 120 LEU   A HD12 1 
ATOM   129  H  HD13 . LEU   A 1 16  ? 17.600  53.138 67.473 1.00 15.53  ? 120 LEU   A HD13 1 
ATOM   130  H  HD21 . LEU   A 1 16  ? 14.975  53.199 68.385 1.00 14.80  ? 120 LEU   A HD21 1 
ATOM   131  H  HD22 . LEU   A 1 16  ? 15.248  51.635 68.434 1.00 14.80  ? 120 LEU   A HD22 1 
ATOM   132  H  HD23 . LEU   A 1 16  ? 14.017  52.201 67.604 1.00 14.80  ? 120 LEU   A HD23 1 
ATOM   133  N  N    . PRO   A 1 17  ? 16.590  52.134 62.866 1.00 12.22  ? 121 PRO   A N    1 
ATOM   134  C  CA   . PRO   A 1 17  ? 16.151  50.977 62.113 1.00 12.67  ? 121 PRO   A CA   1 
ATOM   135  C  C    . PRO   A 1 17  ? 15.572  49.909 63.036 1.00 11.35  ? 121 PRO   A C    1 
ATOM   136  O  O    . PRO   A 1 17  ? 16.130  49.665 64.122 1.00 12.69  ? 121 PRO   A O    1 
ATOM   137  C  CB   . PRO   A 1 17  ? 17.454  50.445 61.486 1.00 13.81  ? 121 PRO   A CB   1 
ATOM   138  C  CG   . PRO   A 1 17  ? 18.457  51.562 61.600 1.00 14.87  ? 121 PRO   A CG   1 
ATOM   139  C  CD   . PRO   A 1 17  ? 18.033  52.331 62.800 1.00 14.35  ? 121 PRO   A CD   1 
ATOM   140  H  HA   . PRO   A 1 17  ? 15.505  51.241 61.410 1.00 12.52  ? 121 PRO   A HA   1 
ATOM   141  H  HB2  . PRO   A 1 17  ? 17.771  49.649 61.964 1.00 13.76  ? 121 PRO   A HB2  1 
ATOM   142  H  HB3  . PRO   A 1 17  ? 17.312  50.206 60.545 1.00 13.77  ? 121 PRO   A HB3  1 
ATOM   143  H  HG2  . PRO   A 1 17  ? 19.362  51.207 61.718 1.00 14.49  ? 121 PRO   A HG2  1 
ATOM   144  H  HG3  . PRO   A 1 17  ? 18.441  52.128 60.802 1.00 14.49  ? 121 PRO   A HG3  1 
ATOM   145  H  HD2  . PRO   A 1 17  ? 18.467  51.991 63.604 1.00 13.93  ? 121 PRO   A HD2  1 
ATOM   146  H  HD3  . PRO   A 1 17  ? 18.252  53.276 62.700 1.00 13.93  ? 121 PRO   A HD3  1 
ATOM   147  N  N    . LEU   A 1 18  ? 14.553  49.175 62.588 1.00 11.48  ? 122 LEU   A N    1 
ATOM   148  C  CA   . LEU   A 1 18  ? 13.914  48.097 63.312 1.00 12.59  ? 122 LEU   A CA   1 
ATOM   149  C  C    . LEU   A 1 18  ? 14.072  46.854 62.441 1.00 12.61  ? 122 LEU   A C    1 
ATOM   150  O  O    . LEU   A 1 18  ? 13.241  46.569 61.566 1.00 12.36  ? 122 LEU   A O    1 
ATOM   151  C  CB   . LEU   A 1 18  ? 12.451  48.428 63.585 1.00 12.55  ? 122 LEU   A CB   1 
ATOM   152  C  CG   . LEU   A 1 18  ? 12.203  49.765 64.288 1.00 13.65  ? 122 LEU   A CG   1 
ATOM   153  C  CD1  . LEU   A 1 18  ? 10.696  50.019 64.384 1.00 14.20  ? 122 LEU   A CD1  1 
ATOM   154  C  CD2  . LEU   A 1 18  ? 12.847  49.711 65.668 1.00 14.33  ? 122 LEU   A CD2  1 
ATOM   155  H  H    . LEU   A 1 18  ? 14.201  49.387 61.666 1.00 11.71  ? 122 LEU   A H    1 
ATOM   156  H  HA   . LEU   A 1 18  ? 14.386  47.957 64.163 1.00 12.37  ? 122 LEU   A HA   1 
ATOM   157  H  HB2  . LEU   A 1 18  ? 11.972  48.433 62.732 1.00 12.81  ? 122 LEU   A HB2  1 
ATOM   158  H  HB3  . LEU   A 1 18  ? 12.070  47.712 64.132 1.00 12.81  ? 122 LEU   A HB3  1 
ATOM   159  H  HG   . LEU   A 1 18  ? 12.621  50.491 63.763 1.00 13.65  ? 122 LEU   A HG   1 
ATOM   160  H  HD11 . LEU   A 1 18  ? 10.278  49.826 63.527 1.00 14.02  ? 122 LEU   A HD11 1 
ATOM   161  H  HD12 . LEU   A 1 18  ? 10.538  50.950 64.619 1.00 14.03  ? 122 LEU   A HD12 1 
ATOM   162  H  HD13 . LEU   A 1 18  ? 10.313  49.443 65.068 1.00 14.03  ? 122 LEU   A HD13 1 
ATOM   163  H  HD21 . LEU   A 1 18  ? 12.637  48.861 66.093 1.00 14.10  ? 122 LEU   A HD21 1 
ATOM   164  H  HD22 . LEU   A 1 18  ? 12.503  50.439 66.215 1.00 14.11  ? 122 LEU   A HD22 1 
ATOM   165  H  HD23 . LEU   A 1 18  ? 13.812  49.800 65.581 1.00 14.10  ? 122 LEU   A HD23 1 
ATOM   166  N  N    . PRO   A 1 19  ? 15.218  46.148 62.521 1.00 11.08  ? 123 PRO   A N    1 
ATOM   167  C  CA   . PRO   A 1 19  ? 15.544  45.093 61.543 1.00 13.19  ? 123 PRO   A CA   1 
ATOM   168  C  C    . PRO   A 1 19  ? 14.521  43.955 61.528 1.00 12.48  ? 123 PRO   A C    1 
ATOM   169  O  O    . PRO   A 1 19  ? 14.241  43.306 62.501 1.00 14.20  ? 123 PRO   A O    1 
ATOM   170  C  CB   . PRO   A 1 19  ? 16.931  44.616 61.994 1.00 12.69  ? 123 PRO   A CB   1 
ATOM   171  C  CG   . PRO   A 1 19  ? 17.528  45.796 62.713 1.00 12.39  ? 123 PRO   A CG   1 
ATOM   172  C  CD   . PRO   A 1 19  ? 16.338  46.376 63.454 1.00 10.97  ? 123 PRO   A CD   1 
ATOM   173  H  HA   . PRO   A 1 19  ? 15.615  45.498 60.643 1.00 12.53  ? 123 PRO   A HA   1 
ATOM   174  H  HB2  . PRO   A 1 19  ? 16.859  43.844 62.595 1.00 12.74  ? 123 PRO   A HB2  1 
ATOM   175  H  HB3  . PRO   A 1 19  ? 17.482  44.365 61.222 1.00 12.73  ? 123 PRO   A HB3  1 
ATOM   176  H  HG2  . PRO   A 1 19  ? 18.229  45.513 63.336 1.00 12.11  ? 123 PRO   A HG2  1 
ATOM   177  H  HG3  . PRO   A 1 19  ? 17.901  46.444 62.081 1.00 12.11  ? 123 PRO   A HG3  1 
ATOM   178  H  HD2  . PRO   A 1 19  ? 16.190  45.914 64.300 1.00 11.32  ? 123 PRO   A HD2  1 
ATOM   179  H  HD3  . PRO   A 1 19  ? 16.467  47.326 63.628 1.00 11.32  ? 123 PRO   A HD3  1 
ATOM   180  N  N    . GLY   A 1 20  ? 13.976  43.693 60.368 1.00 13.15  ? 124 GLY   A N    1 
ATOM   181  C  CA   . GLY   A 1 20  ? 12.969  42.657 60.208 1.00 12.59  ? 124 GLY   A CA   1 
ATOM   182  C  C    . GLY   A 1 20  ? 11.610  43.101 60.743 1.00 12.26  ? 124 GLY   A C    1 
ATOM   183  O  O    . GLY   A 1 20  ? 10.711  42.275 60.840 1.00 13.24  ? 124 GLY   A O    1 
ATOM   184  H  H    . GLY   A 1 20  ? 14.241  44.239 59.565 1.00 12.85  ? 124 GLY   A H    1 
ATOM   185  H  HA2  . GLY   A 1 20  ? 12.886  42.436 59.247 1.00 12.64  ? 124 GLY   A HA2  1 
ATOM   186  H  HA3  . GLY   A 1 20  ? 13.262  41.842 60.687 1.00 12.64  ? 124 GLY   A HA3  1 
ATOM   187  N  N    . GLY   A 1 21  ? 11.448  44.409 61.008 1.00 13.02  ? 125 GLY   A N    1 
ATOM   188  C  CA   . GLY   A 1 21  ? 10.188  44.951 61.465 1.00 12.42  ? 125 GLY   A CA   1 
ATOM   189  C  C    . GLY   A 1 21  ? 9.902   44.730 62.920 1.00 14.30  ? 125 GLY   A C    1 
ATOM   190  O  O    . GLY   A 1 21  ? 10.743  44.314 63.701 1.00 15.72  ? 125 GLY   A O    1 
ATOM   191  H  H    . GLY   A 1 21  ? 12.218  45.043 60.870 1.00 12.70  ? 125 GLY   A H    1 
ATOM   192  H  HA2  . GLY   A 1 21  ? 10.186  45.921 61.284 1.00 12.99  ? 125 GLY   A HA2  1 
ATOM   193  H  HA3  . GLY   A 1 21  ? 9.462   44.552 60.933 1.00 13.00  ? 125 GLY   A HA3  1 
ATOM   194  N  N    . VAL   A 1 22  ? 8.716   45.118 63.325 1.00 13.38  ? 126 VAL   A N    1 
ATOM   195  C  CA   . VAL   A 1 22  ? 8.358   44.932 64.714 1.00 14.65  ? 126 VAL   A CA   1 
ATOM   196  C  C    . VAL   A 1 22  ? 7.617   43.623 64.851 1.00 15.04  ? 126 VAL   A C    1 
ATOM   197  O  O    . VAL   A 1 22  ? 7.094   43.025 63.898 1.00 14.26  ? 126 VAL   A O    1 
ATOM   198  C  CB   . VAL   A 1 22  ? 7.566   46.099 65.300 1.00 16.01  ? 126 VAL   A CB   1 
ATOM   199  C  CG1  . VAL   A 1 22  ? 8.278   47.419 65.096 1.00 17.20  ? 126 VAL   A CG1  1 
ATOM   200  C  CG2  . VAL   A 1 22  ? 6.156   46.170 64.752 1.00 15.94  ? 126 VAL   A CG2  1 
ATOM   201  H  H    . VAL   A 1 22  ? 8.059   45.539 62.685 1.00 13.89  ? 126 VAL   A H    1 
ATOM   202  H  HA   . VAL   A 1 22  ? 9.181   44.856 65.224 1.00 14.73  ? 126 VAL   A HA   1 
ATOM   203  H  HB   . VAL   A 1 22  ? 7.499   45.947 66.273 1.00 15.93  ? 126 VAL   A HB   1 
ATOM   204  H  HG11 . VAL   A 1 22  ? 9.204   47.256 64.847 1.00 16.80  ? 126 VAL   A HG11 1 
ATOM   205  H  HG12 . VAL   A 1 22  ? 8.251   47.933 65.921 1.00 16.82  ? 126 VAL   A HG12 1 
ATOM   206  H  HG13 . VAL   A 1 22  ? 7.839   47.921 64.388 1.00 16.82  ? 126 VAL   A HG13 1 
ATOM   207  H  HG21 . VAL   A 1 22  ? 6.172   46.033 63.790 1.00 15.94  ? 126 VAL   A HG21 1 
ATOM   208  H  HG22 . VAL   A 1 22  ? 5.775   47.043 64.948 1.00 15.96  ? 126 VAL   A HG22 1 
ATOM   209  H  HG23 . VAL   A 1 22  ? 5.610   45.480 65.168 1.00 15.95  ? 126 VAL   A HG23 1 
ATOM   210  N  N    . VAL   A 1 23  ? 7.508   43.202 66.093 1.00 15.15  ? 127 VAL   A N    1 
ATOM   211  C  CA   . VAL   A 1 23  ? 6.974   41.893 66.429 1.00 15.47  ? 127 VAL   A CA   1 
ATOM   212  C  C    . VAL   A 1 23  ? 6.486   41.998 67.862 1.00 14.30  ? 127 VAL   A C    1 
ATOM   213  O  O    . VAL   A 1 23  ? 7.039   42.773 68.641 1.00 13.10  ? 127 VAL   A O    1 
ATOM   214  C  CB   . VAL   A 1 23  ? 8.048   40.796 66.264 1.00 18.53  ? 127 VAL   A CB   1 
ATOM   215  C  CG1  . VAL   A 1 23  ? 9.186   40.906 67.248 1.00 18.08  ? 127 VAL   A CG1  1 
ATOM   216  C  CG2  . VAL   A 1 23  ? 7.424   39.426 66.338 1.00 21.22  ? 127 VAL   A CG2  1 
ATOM   217  H  H    . VAL   A 1 23  ? 7.815   43.804 66.845 1.00 15.20  ? 127 VAL   A H    1 
ATOM   218  H  HA   . VAL   A 1 23  ? 6.221   41.698 65.845 1.00 15.71  ? 127 VAL   A HA   1 
ATOM   219  H  HB   . VAL   A 1 23  ? 8.426   40.901 65.359 1.00 18.28  ? 127 VAL   A HB   1 
ATOM   220  H  HG11 . VAL   A 1 23  ? 9.493   41.828 67.288 1.00 18.21  ? 127 VAL   A HG11 1 
ATOM   221  H  HG12 . VAL   A 1 23  ? 9.918   40.333 66.966 1.00 18.22  ? 127 VAL   A HG12 1 
ATOM   222  H  HG13 . VAL   A 1 23  ? 8.882   40.628 68.130 1.00 18.21  ? 127 VAL   A HG13 1 
ATOM   223  H  HG21 . VAL   A 1 23  ? 7.167   39.234 67.257 1.00 20.31  ? 127 VAL   A HG21 1 
ATOM   224  H  HG22 . VAL   A 1 23  ? 8.066   38.760 66.037 1.00 20.33  ? 127 VAL   A HG22 1 
ATOM   225  H  HG23 . VAL   A 1 23  ? 6.636   39.396 65.768 1.00 20.30  ? 127 VAL   A HG23 1 
ATOM   226  N  N    . PRO   A 1 24  ? 5.444   41.260 68.276 1.00 13.65  ? 128 PRO   A N    1 
ATOM   227  C  CA   . PRO   A 1 24  ? 5.066   41.263 69.675 1.00 14.06  ? 128 PRO   A CA   1 
ATOM   228  C  C    . PRO   A 1 24  ? 6.260   40.878 70.526 1.00 14.47  ? 128 PRO   A C    1 
ATOM   229  O  O    . PRO   A 1 24  ? 7.092   40.016 70.157 1.00 16.03  ? 128 PRO   A O    1 
ATOM   230  C  CB   . PRO   A 1 24  ? 3.962   40.210 69.733 1.00 14.98  ? 128 PRO   A CB   1 
ATOM   231  C  CG   . PRO   A 1 24  ? 3.330   40.384 68.390 1.00 15.68  ? 128 PRO   A CG   1 
ATOM   232  C  CD   . PRO   A 1 24  ? 4.524   40.441 67.458 1.00 15.27  ? 128 PRO   A CD   1 
ATOM   233  H  HA   . PRO   A 1 24  ? 4.710   42.150 69.930 1.00 14.23  ? 128 PRO   A HA   1 
ATOM   234  H  HB2  . PRO   A 1 24  ? 4.329   39.306 69.841 1.00 14.92  ? 128 PRO   A HB2  1 
ATOM   235  H  HB3  . PRO   A 1 24  ? 3.325   40.394 70.455 1.00 14.92  ? 128 PRO   A HB3  1 
ATOM   236  H  HG2  . PRO   A 1 24  ? 2.749   39.627 68.172 1.00 15.44  ? 128 PRO   A HG2  1 
ATOM   237  H  HG3  . PRO   A 1 24  ? 2.810   41.212 68.348 1.00 15.42  ? 128 PRO   A HG3  1 
ATOM   238  H  HD2  . PRO   A 1 24  ? 4.886   39.553 67.285 1.00 15.00  ? 128 PRO   A HD2  1 
ATOM   239  H  HD3  . PRO   A 1 24  ? 4.302   40.877 66.615 1.00 14.98  ? 128 PRO   A HD3  1 
ATOM   240  N  N    . ARG   A 1 25  ? 6.342   41.538 71.677 1.00 14.48  ? 129 ARG   A N    1 
ATOM   241  C  CA   . ARG   A 1 25  ? 7.344   41.398 72.716 1.00 15.49  ? 129 ARG   A CA   1 
ATOM   242  C  C    . ARG   A 1 25  ? 8.556   42.284 72.497 1.00 15.24  ? 129 ARG   A C    1 
ATOM   243  O  O    . ARG   A 1 25  ? 9.478   42.313 73.310 1.00 18.06  ? 129 ARG   A O    1 
ATOM   244  C  CB   . ARG   A 1 25  ? 7.790   39.956 72.932 1.00 18.39  ? 129 ARG   A CB   1 
ATOM   245  C  CG   . ARG   A 1 25  ? 6.604   39.074 73.265 1.00 20.40  ? 129 ARG   A CG   1 
ATOM   246  C  CD   . ARG   A 1 25  ? 6.859   37.741 73.976 1.00 25.96  ? 129 ARG   A CD   1 
ATOM   247  N  NE   . ARG   A 1 25  ? 7.313   37.989 75.326 1.00 27.83  ? 129 ARG   A NE   1 
ATOM   248  C  CZ   . ARG   A 1 25  ? 6.558   38.434 76.344 1.00 32.23  ? 129 ARG   A CZ   1 
ATOM   249  N  NH1  . ARG   A 1 25  ? 7.127   38.674 77.510 1.00 32.38  ? 129 ARG   A NH1  1 
ATOM   250  N  NH2  . ARG   A 1 25  ? 5.263   38.649 76.216 1.00 32.34  ? 129 ARG   A NH2  1 
ATOM   251  H  H    . ARG   A 1 25  ? 5.615   42.219 71.848 1.00 14.71  ? 129 ARG   A H    1 
ATOM   252  H  HA   . ARG   A 1 25  ? 6.921   41.697 73.553 1.00 15.77  ? 129 ARG   A HA   1 
ATOM   253  H  HB2  . ARG   A 1 25  ? 8.232   39.624 72.124 1.00 18.09  ? 129 ARG   A HB2  1 
ATOM   254  H  HB3  . ARG   A 1 25  ? 8.433   39.926 73.671 1.00 18.10  ? 129 ARG   A HB3  1 
ATOM   255  H  HG2  . ARG   A 1 25  ? 5.986   39.595 73.819 1.00 21.09  ? 129 ARG   A HG2  1 
ATOM   256  H  HG3  . ARG   A 1 25  ? 6.132   38.875 72.429 1.00 21.05  ? 129 ARG   A HG3  1 
ATOM   257  H  HD2  . ARG   A 1 25  ? 6.033   37.212 73.995 1.00 24.94  ? 129 ARG   A HD2  1 
ATOM   258  H  HD3  . ARG   A 1 25  ? 7.540   37.232 73.487 1.00 24.93  ? 129 ARG   A HD3  1 
ATOM   259  H  HE   . ARG   A 1 25  ? 8.165   37.892 75.480 1.00 28.56  ? 129 ARG   A HE   1 
ATOM   260  H  HH11 . ARG   A 1 25  ? 7.984   38.523 77.620 1.00 32.11  ? 129 ARG   A HH11 1 
ATOM   261  H  HH12 . ARG   A 1 25  ? 6.638   38.941 78.190 1.00 32.12  ? 129 ARG   A HH12 1 
ATOM   262  H  HH21 . ARG   A 1 25  ? 4.864   38.511 75.445 1.00 32.00  ? 129 ARG   A HH21 1 
ATOM   263  H  HH22 . ARG   A 1 25  ? 4.795   38.933 76.907 1.00 32.08  ? 129 ARG   A HH22 1 
ATOM   264  N  N    . MET   A 1 26  ? 8.586   43.035 71.407 1.00 13.63  ? 130 MET   A N    1 
ATOM   265  C  CA   A MET   A 1 26  ? 9.639   44.003 71.182 0.50 13.62  ? 130 MET   A CA   1 
ATOM   266  C  CA   B MET   A 1 26  ? 9.635   44.001 71.186 0.50 13.49  ? 130 MET   A CA   1 
ATOM   267  C  C    . MET   A 1 26  ? 9.323   45.273 71.970 1.00 13.89  ? 130 MET   A C    1 
ATOM   268  O  O    . MET   A 1 26  ? 8.197   45.835 71.871 1.00 13.66  ? 130 MET   A O    1 
ATOM   269  C  CB   A MET   A 1 26  ? 9.771   44.317 69.687 0.50 15.11  ? 130 MET   A CB   1 
ATOM   270  C  CB   B MET   A 1 26  ? 9.736   44.315 69.693 0.50 14.71  ? 130 MET   A CB   1 
ATOM   271  C  CG   A MET   A 1 26  ? 10.794  45.376 69.329 0.50 15.31  ? 130 MET   A CG   1 
ATOM   272  C  CG   B MET   A 1 26  ? 11.081  44.774 69.246 0.50 14.91  ? 130 MET   A CG   1 
ATOM   273  S  SD   A MET   A 1 26  ? 10.909  45.491 67.519 0.50 19.46  ? 130 MET   A SD   1 
ATOM   274  S  SD   B MET   A 1 26  ? 11.059  44.967 67.471 0.50 17.24  ? 130 MET   A SD   1 
ATOM   275  C  CE   A MET   A 1 26  ? 12.535  46.184 67.264 0.50 16.03  ? 130 MET   A CE   1 
ATOM   276  C  CE   B MET   A 1 26  ? 10.294  46.578 67.493 0.50 12.23  ? 130 MET   A CE   1 
ATOM   277  H  H    . MET   A 1 26  ? 7.861   42.941 70.714 1.00 13.91  ? 130 MET   A H    1 
ATOM   278  H  HA   . MET   A 1 26  ? 10.486  43.624 71.510 1.00 13.92  ? 130 MET   A HA   1 
ATOM   279  H  HB2  A MET   A 1 26  ? 10.003  43.490 69.220 0.50 14.79  ? 130 MET   A HB2  1 
ATOM   280  H  HB2  B MET   A 1 26  ? 9.499   43.511 69.190 0.50 14.45  ? 130 MET   A HB2  1 
ATOM   281  H  HB3  A MET   A 1 26  ? 8.897   44.604 69.356 0.50 14.78  ? 130 MET   A HB3  1 
ATOM   282  H  HB3  B MET   A 1 26  ? 9.079   45.005 69.473 0.50 14.45  ? 130 MET   A HB3  1 
ATOM   283  H  HG2  A MET   A 1 26  ? 10.522  46.244 69.696 0.50 16.16  ? 130 MET   A HG2  1 
ATOM   284  H  HG2  B MET   A 1 26  ? 11.300  45.632 69.668 0.50 15.38  ? 130 MET   A HG2  1 
ATOM   285  H  HG3  A MET   A 1 26  ? 11.669  45.137 69.700 0.50 16.15  ? 130 MET   A HG3  1 
ATOM   286  H  HG3  B MET   A 1 26  ? 11.762  44.115 69.498 0.50 15.39  ? 130 MET   A HG3  1 
ATOM   287  H  HE1  A MET   A 1 26  ? 12.609  47.015 67.748 0.50 17.02  ? 130 MET   A HE1  1 
ATOM   288  H  HE1  B MET   A 1 26  ? 10.520  47.052 66.685 0.50 13.63  ? 130 MET   A HE1  1 
ATOM   289  H  HE2  A MET   A 1 26  ? 12.671  46.345 66.323 0.50 17.02  ? 130 MET   A HE2  1 
ATOM   290  H  HE2  B MET   A 1 26  ? 10.616  47.071 68.255 0.50 13.66  ? 130 MET   A HE2  1 
ATOM   291  H  HE3  A MET   A 1 26  ? 13.202  45.564 67.585 0.50 17.02  ? 130 MET   A HE3  1 
ATOM   292  H  HE3  B MET   A 1 26  ? 9.336   46.479 67.554 0.50 13.63  ? 130 MET   A HE3  1 
ATOM   293  N  N    . LEU   A 1 27  ? 10.313  45.699 72.756 1.00 12.66  ? 131 LEU   A N    1 
ATOM   294  C  CA   . LEU   A 1 27  ? 10.170  46.870 73.602 1.00 13.24  ? 131 LEU   A CA   1 
ATOM   295  C  C    . LEU   A 1 27  ? 11.158  47.928 73.118 1.00 13.27  ? 131 LEU   A C    1 
ATOM   296  O  O    . LEU   A 1 27  ? 12.366  47.711 73.104 1.00 14.98  ? 131 LEU   A O    1 
ATOM   297  C  CB   . LEU   A 1 27  ? 10.469  46.506 75.065 1.00 13.59  ? 131 LEU   A CB   1 
ATOM   298  C  CG   . LEU   A 1 27  ? 10.457  47.678 76.028 1.00 14.69  ? 131 LEU   A CG   1 
ATOM   299  C  CD1  . LEU   A 1 27  ? 9.048   48.187 76.264 1.00 15.37  ? 131 LEU   A CD1  1 
ATOM   300  C  CD2  . LEU   A 1 27  ? 11.145  47.259 77.318 1.00 16.27  ? 131 LEU   A CD2  1 
ATOM   301  H  H    . LEU   A 1 27  ? 11.192  45.201 72.768 1.00 13.08  ? 131 LEU   A H    1 
ATOM   302  H  HA   . LEU   A 1 27  ? 9.253   47.217 73.524 1.00 13.19  ? 131 LEU   A HA   1 
ATOM   303  H  HB2  . LEU   A 1 27  ? 9.808   45.850 75.363 1.00 13.76  ? 131 LEU   A HB2  1 
ATOM   304  H  HB3  . LEU   A 1 27  ? 11.348  46.080 75.103 1.00 13.76  ? 131 LEU   A HB3  1 
ATOM   305  H  HG   . LEU   A 1 27  ? 10.983  48.413 75.629 1.00 14.88  ? 131 LEU   A HG   1 
ATOM   306  H  HD11 . LEU   A 1 27  ? 8.768   48.732 75.508 1.00 15.16  ? 131 LEU   A HD11 1 
ATOM   307  H  HD12 . LEU   A 1 27  ? 9.028   48.724 77.075 1.00 15.16  ? 131 LEU   A HD12 1 
ATOM   308  H  HD13 . LEU   A 1 27  ? 8.441   47.433 76.362 1.00 15.15  ? 131 LEU   A HD13 1 
ATOM   309  H  HD21 . LEU   A 1 27  ? 10.693  46.483 77.691 1.00 15.77  ? 131 LEU   A HD21 1 
ATOM   310  H  HD22 . LEU   A 1 27  ? 11.111  47.992 77.958 1.00 15.77  ? 131 LEU   A HD22 1 
ATOM   311  H  HD23 . LEU   A 1 27  ? 12.074  47.035 77.133 1.00 15.79  ? 131 LEU   A HD23 1 
ATOM   312  N  N    . ILE   A 1 28  ? 10.639  49.108 72.773 1.00 11.98  ? 132 ILE   A N    1 
ATOM   313  C  CA   . ILE   A 1 28  ? 11.453  50.224 72.341 1.00 13.96  ? 132 ILE   A CA   1 
ATOM   314  C  C    . ILE   A 1 28  ? 11.534  51.220 73.492 1.00 14.62  ? 132 ILE   A C    1 
ATOM   315  O  O    . ILE   A 1 28  ? 10.502  51.585 74.059 1.00 14.89  ? 132 ILE   A O    1 
ATOM   316  C  CB   . ILE   A 1 28  ? 10.903  50.855 71.060 1.00 15.68  ? 132 ILE   A CB   1 
ATOM   317  C  CG1  . ILE   A 1 28  ? 10.953  49.849 69.893 1.00 18.46  ? 132 ILE   A CG1  1 
ATOM   318  C  CG2  . ILE   A 1 28  ? 11.659  52.149 70.762 1.00 18.13  ? 132 ILE   A CG2  1 
ATOM   319  C  CD1  . ILE   A 1 28  ? 9.639   49.248 69.485 1.00 25.27  ? 132 ILE   A CD1  1 
ATOM   320  H  H    . ILE   A 1 28  ? 9.637   49.232 72.812 1.00 12.72  ? 132 ILE   A H    1 
ATOM   321  H  HA   . ILE   A 1 28  ? 12.349  49.896 72.154 1.00 14.00  ? 132 ILE   A HA   1 
ATOM   322  H  HB   . ILE   A 1 28  ? 9.956   51.087 71.222 1.00 16.29  ? 132 ILE   A HB   1 
ATOM   323  H  HG12 . ILE   A 1 28  ? 11.339  50.299 69.112 1.00 19.12  ? 132 ILE   A HG12 1 
ATOM   324  H  HG13 . ILE   A 1 28  ? 11.559  49.119 70.140 1.00 19.09  ? 132 ILE   A HG13 1 
ATOM   325  H  HG21 . ILE   A 1 28  ? 11.315  52.866 71.323 1.00 17.33  ? 132 ILE   A HG21 1 
ATOM   326  H  HG22 . ILE   A 1 28  ? 11.540  52.390 69.827 1.00 17.34  ? 132 ILE   A HG22 1 
ATOM   327  H  HG23 . ILE   A 1 28  ? 12.607  52.024 70.943 1.00 17.33  ? 132 ILE   A HG23 1 
ATOM   328  H  HD11 . ILE   A 1 28  ? 9.537   48.374 69.900 1.00 22.86  ? 132 ILE   A HD11 1 
ATOM   329  H  HD12 . ILE   A 1 28  ? 9.612   49.151 68.517 1.00 22.85  ? 132 ILE   A HD12 1 
ATOM   330  H  HD13 . ILE   A 1 28  ? 8.911   49.827 69.770 1.00 22.86  ? 132 ILE   A HD13 1 
ATOM   331  N  N    . THR   A 1 29  ? 12.748  51.677 73.803 1.00 12.61  ? 133 THR   A N    1 
ATOM   332  C  CA   . THR   A 1 29  ? 12.951  52.617 74.895 1.00 13.76  ? 133 THR   A CA   1 
ATOM   333  C  C    . THR   A 1 29  ? 13.654  53.857 74.362 1.00 12.19  ? 133 THR   A C    1 
ATOM   334  O  O    . THR   A 1 29  ? 14.718  53.748 73.746 1.00 14.96  ? 133 THR   A O    1 
ATOM   335  C  CB   . THR   A 1 29  ? 13.782  51.999 76.040 1.00 14.79  ? 133 THR   A CB   1 
ATOM   336  O  OG1  . THR   A 1 29  ? 13.145  50.834 76.552 1.00 15.54  ? 133 THR   A OG1  1 
ATOM   337  C  CG2  . THR   A 1 29  ? 13.975  52.975 77.191 1.00 14.83  ? 133 THR   A CG2  1 
ATOM   338  H  H    . THR   A 1 29  ? 13.549  51.369 73.271 1.00 13.33  ? 133 THR   A H    1 
ATOM   339  H  HA   . THR   A 1 29  ? 12.072  52.876 75.250 1.00 13.41  ? 133 THR   A HA   1 
ATOM   340  H  HB   . THR   A 1 29  ? 14.667  51.749 75.681 1.00 14.73  ? 133 THR   A HB   1 
ATOM   341  H  HG1  . THR   A 1 29  ? 13.788  50.270 77.035 0.00 17.80  ? 133 THR   A HG1  1 
ATOM   342  H  HG21 . THR   A 1 29  ? 14.739  53.551 77.006 1.00 14.81  ? 133 THR   A HG21 1 
ATOM   343  H  HG22 . THR   A 1 29  ? 14.137  52.479 78.014 1.00 14.82  ? 133 THR   A HG22 1 
ATOM   344  H  HG23 . THR   A 1 29  ? 13.175  53.520 77.294 1.00 14.81  ? 133 THR   A HG23 1 
ATOM   345  N  N    . ILE   A 1 30  ? 13.059  55.024 74.603 1.00 12.59  ? 134 ILE   A N    1 
ATOM   346  C  CA   . ILE   A 1 30  ? 13.616  56.311 74.199 1.00 13.22  ? 134 ILE   A CA   1 
ATOM   347  C  C    . ILE   A 1 30  ? 13.853  57.152 75.438 1.00 13.33  ? 134 ILE   A C    1 
ATOM   348  O  O    . ILE   A 1 30  ? 12.918  57.341 76.218 1.00 13.37  ? 134 ILE   A O    1 
ATOM   349  C  CB   . ILE   A 1 30  ? 12.641  57.007 73.237 1.00 14.37  ? 134 ILE   A CB   1 
ATOM   350  C  CG1  . ILE   A 1 30  ? 12.360  56.114 72.033 1.00 18.40  ? 134 ILE   A CG1  1 
ATOM   351  C  CG2  . ILE   A 1 30  ? 13.111  58.413 72.872 1.00 14.94  ? 134 ILE   A CG2  1 
ATOM   352  C  CD1  . ILE   A 1 30  ? 11.146  56.415 71.387 1.00 22.33  ? 134 ILE   A CD1  1 
ATOM   353  H  H    . ILE   A 1 30  ? 12.175  55.022 75.092 1.00 12.65  ? 134 ILE   A H    1 
ATOM   354  H  HA   . ILE   A 1 30  ? 14.461  56.165 73.741 1.00 13.33  ? 134 ILE   A HA   1 
ATOM   355  H  HB   . ILE   A 1 30  ? 11.787  57.108 73.724 1.00 14.96  ? 134 ILE   A HB   1 
ATOM   356  H  HG12 . ILE   A 1 30  ? 13.093  56.212 71.389 1.00 18.16  ? 134 ILE   A HG12 1 
ATOM   357  H  HG13 . ILE   A 1 30  ? 12.337  55.179 72.323 1.00 18.13  ? 134 ILE   A HG13 1 
ATOM   358  H  HG21 . ILE   A 1 30  ? 12.808  59.044 73.548 1.00 14.76  ? 134 ILE   A HG21 1 
ATOM   359  H  HG22 . ILE   A 1 30  ? 12.745  58.667 72.008 1.00 14.79  ? 134 ILE   A HG22 1 
ATOM   360  H  HG23 . ILE   A 1 30  ? 14.083  58.431 72.827 1.00 14.76  ? 134 ILE   A HG23 1 
ATOM   361  H  HD11 . ILE   A 1 30  ? 10.428  56.458 72.042 1.00 20.99  ? 134 ILE   A HD11 1 
ATOM   362  H  HD12 . ILE   A 1 30  ? 10.945  55.722 70.735 1.00 21.00  ? 134 ILE   A HD12 1 
ATOM   363  H  HD13 . ILE   A 1 30  ? 11.221  57.272 70.933 1.00 21.00  ? 134 ILE   A HD13 1 
ATOM   364  N  N    . LEU   A 1 31  ? 15.084  57.639 75.599 1.00 13.34  ? 135 LEU   A N    1 
ATOM   365  C  CA   . LEU   A 1 31  ? 15.423  58.542 76.702 1.00 13.67  ? 135 LEU   A CA   1 
ATOM   366  C  C    . LEU   A 1 31  ? 15.800  59.902 76.133 1.00 12.37  ? 135 LEU   A C    1 
ATOM   367  O  O    . LEU   A 1 31  ? 16.571  59.972 75.165 1.00 13.29  ? 135 LEU   A O    1 
ATOM   368  C  CB   . LEU   A 1 31  ? 16.620  58.006 77.498 1.00 15.82  ? 135 LEU   A CB   1 
ATOM   369  C  CG   . LEU   A 1 31  ? 16.437  56.645 78.140 1.00 18.91  ? 135 LEU   A CG   1 
ATOM   370  C  CD1  . LEU   A 1 31  ? 17.748  56.189 78.784 1.00 21.19  ? 135 LEU   A CD1  1 
ATOM   371  C  CD2  . LEU   A 1 31  ? 15.366  56.788 79.197 1.00 19.54  ? 135 LEU   A CD2  1 
ATOM   372  H  H    . LEU   A 1 31  ? 15.808  57.380 74.945 1.00 13.42  ? 135 LEU   A H    1 
ATOM   373  H  HA   . LEU   A 1 31  ? 14.643  58.642 77.292 1.00 13.74  ? 135 LEU   A HA   1 
ATOM   374  H  HB2  . LEU   A 1 31  ? 17.391  57.961 76.897 1.00 15.94  ? 135 LEU   A HB2  1 
ATOM   375  H  HB3  . LEU   A 1 31  ? 16.836  58.653 78.200 1.00 15.95  ? 135 LEU   A HB3  1 
ATOM   376  H  HG   . LEU   A 1 31  ? 16.151  55.988 77.459 1.00 18.78  ? 135 LEU   A HG   1 
ATOM   377  H  HD11 . LEU   A 1 31  ? 18.472  56.267 78.140 1.00 20.43  ? 135 LEU   A HD11 1 
ATOM   378  H  HD12 . LEU   A 1 31  ? 17.665  55.263 79.068 1.00 20.45  ? 135 LEU   A HD12 1 
ATOM   379  H  HD13 . LEU   A 1 31  ? 17.942  56.749 79.556 1.00 20.45  ? 135 LEU   A HD13 1 
ATOM   380  H  HD21 . LEU   A 1 31  ? 15.545  57.576 79.739 1.00 19.31  ? 135 LEU   A HD21 1 
ATOM   381  H  HD22 . LEU   A 1 31  ? 15.365  55.998 79.765 1.00 19.33  ? 135 LEU   A HD22 1 
ATOM   382  H  HD23 . LEU   A 1 31  ? 14.497  56.879 78.769 1.00 19.29  ? 135 LEU   A HD23 1 
ATOM   383  N  N    . GLY   A 1 32  ? 15.240  60.961 76.681 1.00 12.75  ? 136 GLY   A N    1 
ATOM   384  C  CA   . GLY   A 1 32  ? 15.659  62.292 76.276 1.00 13.95  ? 136 GLY   A CA   1 
ATOM   385  C  C    . GLY   A 1 32  ? 15.184  63.344 77.262 1.00 14.16  ? 136 GLY   A C    1 
ATOM   386  O  O    . GLY   A 1 32  ? 14.702  63.003 78.348 1.00 15.02  ? 136 GLY   A O    1 
ATOM   387  H  H    . GLY   A 1 32  ? 14.519  60.856 77.381 1.00 12.94  ? 136 GLY   A H    1 
ATOM   388  H  HA2  . GLY   A 1 32  ? 16.647  62.320 76.217 1.00 13.70  ? 136 GLY   A HA2  1 
ATOM   389  H  HA3  . GLY   A 1 32  ? 15.288  62.489 75.380 1.00 13.71  ? 136 GLY   A HA3  1 
ATOM   390  N  N    . THR   A 1 33  ? 15.375  64.612 76.898 1.00 13.83  ? 137 THR   A N    1 
ATOM   391  C  CA   . THR   A 1 33  ? 14.906  65.728 77.681 1.00 12.99  ? 137 THR   A CA   1 
ATOM   392  C  C    . THR   A 1 33  ? 14.128  66.656 76.770 1.00 13.25  ? 137 THR   A C    1 
ATOM   393  O  O    . THR   A 1 33  ? 14.552  66.938 75.655 1.00 13.41  ? 137 THR   A O    1 
ATOM   394  C  CB   . THR   A 1 33  ? 16.083  66.465 78.331 1.00 14.45  ? 137 THR   A CB   1 
ATOM   395  O  OG1  . THR   A 1 33  ? 16.790  65.550 79.177 1.00 17.65  ? 137 THR   A OG1  1 
ATOM   396  C  CG2  . THR   A 1 33  ? 15.599  67.624 79.167 1.00 15.79  ? 137 THR   A CG2  1 
ATOM   397  H  H    . THR   A 1 33  ? 15.869  64.802 76.037 1.00 13.70  ? 137 THR   A H    1 
ATOM   398  H  HA   . THR   A 1 33  ? 14.307  65.393 78.384 1.00 13.46  ? 137 THR   A HA   1 
ATOM   399  H  HB   . THR   A 1 33  ? 16.686  66.797 77.623 1.00 14.96  ? 137 THR   A HB   1 
ATOM   400  H  HG1  . THR   A 1 33  ? 17.748  65.769 79.247 0.00 17.80  ? 137 THR   A HG1  1 
ATOM   401  H  HG21 . THR   A 1 33  ? 15.543  68.424 78.614 1.00 15.36  ? 137 THR   A HG21 1 
ATOM   402  H  HG22 . THR   A 1 33  ? 16.223  67.782 79.899 1.00 15.36  ? 137 THR   A HG22 1 
ATOM   403  H  HG23 . THR   A 1 33  ? 14.720  67.421 79.531 1.00 15.35  ? 137 THR   A HG23 1 
ATOM   404  N  N    . VAL   A 1 34  ? 12.982  67.138 77.224 1.00 12.11  ? 138 VAL   A N    1 
ATOM   405  C  CA   . VAL   A 1 34  ? 12.183  68.083 76.470 1.00 12.61  ? 138 VAL   A CA   1 
ATOM   406  C  C    . VAL   A 1 34  ? 12.882  69.431 76.541 1.00 14.85  ? 138 VAL   A C    1 
ATOM   407  O  O    . VAL   A 1 34  ? 13.292  69.856 77.626 1.00 15.29  ? 138 VAL   A O    1 
ATOM   408  C  CB   . VAL   A 1 34  ? 10.756  68.193 77.015 1.00 13.49  ? 138 VAL   A CB   1 
ATOM   409  C  CG1  . VAL   A 1 34  ? 9.952   69.169 76.174 1.00 13.99  ? 138 VAL   A CG1  1 
ATOM   410  C  CG2  . VAL   A 1 34  ? 10.092  66.833 77.065 1.00 12.94  ? 138 VAL   A CG2  1 
ATOM   411  H  H    . VAL   A 1 34  ? 12.656  66.850 78.135 1.00 12.50  ? 138 VAL   A H    1 
ATOM   412  H  HA   . VAL   A 1 34  ? 12.144  67.792 75.542 1.00 13.09  ? 138 VAL   A HA   1 
ATOM   413  H  HB   . VAL   A 1 34  ? 10.810  68.547 77.936 1.00 13.31  ? 138 VAL   A HB   1 
ATOM   414  H  HG11 . VAL   A 1 34  ? 10.262  70.075 76.338 1.00 13.84  ? 138 VAL   A HG11 1 
ATOM   415  H  HG12 . VAL   A 1 34  ? 9.011   69.102 76.409 1.00 13.83  ? 138 VAL   A HG12 1 
ATOM   416  H  HG13 . VAL   A 1 34  ? 10.065  68.954 75.231 1.00 13.83  ? 138 VAL   A HG13 1 
ATOM   417  H  HG21 . VAL   A 1 34  ? 10.274  66.352 76.239 1.00 13.11  ? 138 VAL   A HG21 1 
ATOM   418  H  HG22 . VAL   A 1 34  ? 9.131   66.943 77.171 1.00 13.11  ? 138 VAL   A HG22 1 
ATOM   419  H  HG23 . VAL   A 1 34  ? 10.444  66.328 77.818 1.00 13.11  ? 138 VAL   A HG23 1 
ATOM   420  N  N    . LYS   A 1 35  ? 13.017  70.092 75.389 1.00 14.65  ? 139 LYS   A N    1 
ATOM   421  C  CA   . LYS   A 1 35  ? 13.606  71.414 75.331 1.00 15.36  ? 139 LYS   A CA   1 
ATOM   422  C  C    . LYS   A 1 35  ? 12.761  72.404 76.114 1.00 16.84  ? 139 LYS   A C    1 
ATOM   423  O  O    . LYS   A 1 35  ? 11.580  72.229 76.284 1.00 16.27  ? 139 LYS   A O    1 
ATOM   424  C  CB   . LYS   A 1 35  ? 13.743  71.794 73.858 1.00 17.25  ? 139 LYS   A CB   1 
ATOM   425  C  CG   . LYS   A 1 35  ? 14.858  71.088 73.098 1.00 19.38  ? 139 LYS   A CG   1 
ATOM   426  C  CD   . LYS   A 1 35  ? 14.954  71.603 71.680 1.00 23.53  ? 139 LYS   A CD   1 
ATOM   427  C  CE   . LYS   A 1 35  ? 16.000  70.938 70.817 1.00 27.12  ? 139 LYS   A CE   1 
ATOM   428  N  NZ   . LYS   A 1 35  ? 17.350  71.227 71.332 1.00 36.06  ? 139 LYS   A NZ   1 
ATOM   429  H  H    . LYS   A 1 35  ? 12.703  69.660 74.531 1.00 14.86  ? 139 LYS   A H    1 
ATOM   430  H  HA   . LYS   A 1 35  ? 14.503  71.371 75.735 1.00 15.85  ? 139 LYS   A HA   1 
ATOM   431  H  HB2  . LYS   A 1 35  ? 12.894  71.603 73.409 1.00 17.24  ? 139 LYS   A HB2  1 
ATOM   432  H  HB3  . LYS   A 1 35  ? 13.896  72.760 73.802 1.00 17.26  ? 139 LYS   A HB3  1 
ATOM   433  H  HG2  . LYS   A 1 35  ? 15.711  71.240 73.560 1.00 19.77  ? 139 LYS   A HG2  1 
ATOM   434  H  HG3  . LYS   A 1 35  ? 14.682  70.124 73.085 1.00 19.75  ? 139 LYS   A HG3  1 
ATOM   435  H  HD2  . LYS   A 1 35  ? 14.080  71.490 71.249 1.00 23.25  ? 139 LYS   A HD2  1 
ATOM   436  H  HD3  . LYS   A 1 35  ? 15.143  72.566 71.710 1.00 23.26  ? 139 LYS   A HD3  1 
ATOM   437  H  HE2  . LYS   A 1 35  ? 15.859  69.973 70.809 1.00 28.03  ? 139 LYS   A HE2  1 
ATOM   438  H  HE3  . LYS   A 1 35  ? 15.930  71.265 69.900 1.00 28.05  ? 139 LYS   A HE3  1 
ATOM   439  H  HZ1  . LYS   A 1 35  ? 17.425  72.109 71.528 1.00 32.95  ? 139 LYS   A HZ1  1 
ATOM   440  H  HZ2  . LYS   A 1 35  ? 17.971  71.010 70.706 1.00 33.00  ? 139 LYS   A HZ2  1 
ATOM   441  H  HZ3  . LYS   A 1 35  ? 17.505  70.741 72.082 1.00 32.94  ? 139 LYS   A HZ3  1 
ATOM   442  N  N    . PRO   A 1 36  ? 13.337  73.533 76.582 1.00 18.30  ? 140 PRO   A N    1 
ATOM   443  C  CA   . PRO   A 1 36  ? 12.506  74.583 77.180 1.00 19.86  ? 140 PRO   A CA   1 
ATOM   444  C  C    . PRO   A 1 36  ? 11.555  75.143 76.104 1.00 20.06  ? 140 PRO   A C    1 
ATOM   445  O  O    . PRO   A 1 36  ? 11.891  75.173 74.932 1.00 23.57  ? 140 PRO   A O    1 
ATOM   446  C  CB   . PRO   A 1 36  ? 13.549  75.605 77.679 1.00 20.75  ? 140 PRO   A CB   1 
ATOM   447  C  CG   . PRO   A 1 36  ? 14.778  75.347 76.868 1.00 24.25  ? 140 PRO   A CG   1 
ATOM   448  C  CD   . PRO   A 1 36  ? 14.767  73.880 76.469 1.00 21.24  ? 140 PRO   A CD   1 
ATOM   449  H  HA   . PRO   A 1 36  ? 11.997  74.217 77.945 1.00 19.76  ? 140 PRO   A HA   1 
ATOM   450  H  HB2  . PRO   A 1 36  ? 13.231  76.523 77.542 1.00 21.30  ? 140 PRO   A HB2  1 
ATOM   451  H  HB3  . PRO   A 1 36  ? 13.733  75.476 78.634 1.00 21.31  ? 140 PRO   A HB3  1 
ATOM   452  H  HG2  . PRO   A 1 36  ? 14.783  75.915 76.070 1.00 22.66  ? 140 PRO   A HG2  1 
ATOM   453  H  HG3  . PRO   A 1 36  ? 15.580  75.548 77.393 1.00 22.66  ? 140 PRO   A HG3  1 
ATOM   454  H  HD2  . PRO   A 1 36  ? 15.089  73.759 75.556 1.00 21.14  ? 140 PRO   A HD2  1 
ATOM   455  H  HD3  . PRO   A 1 36  ? 15.309  73.343 77.075 1.00 21.15  ? 140 PRO   A HD3  1 
ATOM   456  N  N    . ASN   A 1 37  ? 10.340  75.517 76.451 1.00 25.52  ? 141 ASN   A N    1 
ATOM   457  C  CA   . ASN   A 1 37  ? 9.437   76.109 75.453 1.00 25.31  ? 141 ASN   A CA   1 
ATOM   458  C  C    . ASN   A 1 37  ? 9.165   75.195 74.257 1.00 23.49  ? 141 ASN   A C    1 
ATOM   459  O  O    . ASN   A 1 37  ? 9.007   75.634 73.128 1.00 21.53  ? 141 ASN   A O    1 
ATOM   460  C  CB   . ASN   A 1 37  ? 9.974   77.416 74.851 1.00 27.68  ? 141 ASN   A CB   1 
ATOM   461  C  CG   . ASN   A 1 37  ? 10.356  78.416 75.912 1.00 33.71  ? 141 ASN   A CG   1 
ATOM   462  O  OD1  . ASN   A 1 37  ? 11.505  78.842 75.964 1.00 40.39  ? 141 ASN   A OD1  1 
ATOM   463  N  ND2  . ASN   A 1 37  ? 9.414   78.742 76.780 1.00 35.06  ? 141 ASN   A ND2  1 
ATOM   464  H  H    . ASN   A 1 37  ? 10.022  75.400 77.402 1.00 24.05  ? 141 ASN   A H    1 
ATOM   465  H  HA   . ASN   A 1 37  ? 8.579   76.311 75.895 1.00 25.43  ? 141 ASN   A HA   1 
ATOM   466  H  HB2  . ASN   A 1 37  ? 10.756  77.221 74.296 1.00 28.36  ? 141 ASN   A HB2  1 
ATOM   467  H  HB3  . ASN   A 1 37  ? 9.285   77.810 74.278 1.00 28.36  ? 141 ASN   A HB3  1 
ATOM   468  H  HD21 . ASN   A 1 37  ? 9.635   79.052 77.577 1.00 34.64  ? 141 ASN   A HD21 1 
ATOM   469  H  HD22 . ASN   A 1 37  ? 8.561   78.651 76.563 1.00 34.62  ? 141 ASN   A HD22 1 
ATOM   470  N  N    . ALA   A 1 38  ? 9.179   73.885 74.490 1.00 20.92  ? 142 ALA   A N    1 
ATOM   471  C  CA   . ALA   A 1 38  ? 8.843   72.940 73.444 1.00 18.31  ? 142 ALA   A CA   1 
ATOM   472  C  C    . ALA   A 1 38  ? 7.446   73.178 72.898 1.00 15.97  ? 142 ALA   A C    1 
ATOM   473  O  O    . ALA   A 1 38  ? 6.510   73.536 73.607 1.00 16.69  ? 142 ALA   A O    1 
ATOM   474  C  CB   . ALA   A 1 38  ? 8.901   71.537 74.024 1.00 18.08  ? 142 ALA   A CB   1 
ATOM   475  H  H    . ALA   A 1 38  ? 9.409   73.536 75.408 1.00 20.85  ? 142 ALA   A H    1 
ATOM   476  H  HA   . ALA   A 1 38  ? 9.499   73.022 72.712 1.00 18.24  ? 142 ALA   A HA   1 
ATOM   477  H  HB1  . ALA   A 1 38  ? 9.813   71.332 74.289 1.00 18.14  ? 142 ALA   A HB1  1 
ATOM   478  H  HB2  . ALA   A 1 38  ? 8.608   70.895 73.354 1.00 18.14  ? 142 ALA   A HB2  1 
ATOM   479  H  HB3  . ALA   A 1 38  ? 8.318   71.481 74.800 1.00 18.14  ? 142 ALA   A HB3  1 
ATOM   480  N  N    . ASN   A 1 39  ? 7.326   72.871 71.611 1.00 15.56  ? 143 ASN   A N    1 
ATOM   481  C  CA   . ASN   A 1 39  ? 6.029   72.886 70.956 1.00 15.82  ? 143 ASN   A CA   1 
ATOM   482  C  C    . ASN   A 1 39  ? 5.493   71.490 70.623 1.00 14.90  ? 143 ASN   A C    1 
ATOM   483  O  O    . ASN   A 1 39  ? 4.288   71.265 70.750 1.00 13.88  ? 143 ASN   A O    1 
ATOM   484  C  CB   . ASN   A 1 39  ? 6.095   73.692 69.665 1.00 16.67  ? 143 ASN   A CB   1 
ATOM   485  C  CG   . ASN   A 1 39  ? 6.390   75.156 69.865 1.00 26.11  ? 143 ASN   A CG   1 
ATOM   486  O  OD1  . ASN   A 1 39  ? 7.307   75.724 69.234 1.00 33.82  ? 143 ASN   A OD1  1 
ATOM   487  N  ND2  . ASN   A 1 39  ? 5.565   75.780 70.681 1.00 27.13  ? 143 ASN   A ND2  1 
ATOM   488  H  H    . ASN   A 1 39  ? 8.144   72.635 71.071 1.00 15.73  ? 143 ASN   A H    1 
ATOM   489  H  HA   . ASN   A 1 39  ? 5.384   73.332 71.551 1.00 15.76  ? 143 ASN   A HA   1 
ATOM   490  H  HB2  . ASN   A 1 39  ? 6.788   73.306 69.091 1.00 18.33  ? 143 ASN   A HB2  1 
ATOM   491  H  HB3  . ASN   A 1 39  ? 5.238   73.605 69.199 1.00 18.32  ? 143 ASN   A HB3  1 
ATOM   492  H  HD21 . ASN   A 1 39  ? 4.725   75.514 70.750 1.00 26.78  ? 143 ASN   A HD21 1 
ATOM   493  H  HD22 . ASN   A 1 39  ? 5.851   76.466 71.160 1.00 26.81  ? 143 ASN   A HD22 1 
ATOM   494  N  N    . ARG   A 1 40  ? 6.360   70.578 70.150 1.00 14.55  ? 144 ARG   A N    1 
ATOM   495  C  CA   A ARG   A 1 40  ? 5.880   69.258 69.747 0.70 14.89  ? 144 ARG   A CA   1 
ATOM   496  C  CA   B ARG   A 1 40  ? 5.905   69.275 69.710 0.30 14.47  ? 144 ARG   A CA   1 
ATOM   497  C  C    . ARG   A 1 40  ? 7.015   68.240 69.754 1.00 14.79  ? 144 ARG   A C    1 
ATOM   498  O  O    . ARG   A 1 40  ? 8.185   68.597 69.711 1.00 15.80  ? 144 ARG   A O    1 
ATOM   499  C  CB   A ARG   A 1 40  ? 5.220   69.280 68.385 0.70 17.81  ? 144 ARG   A CB   1 
ATOM   500  C  CB   B ARG   A 1 40  ? 5.467   69.399 68.242 0.30 15.03  ? 144 ARG   A CB   1 
ATOM   501  C  CG   A ARG   A 1 40  ? 6.112   69.798 67.280 0.70 19.08  ? 144 ARG   A CG   1 
ATOM   502  C  CG   B ARG   A 1 40  ? 6.584   69.889 67.314 0.30 15.03  ? 144 ARG   A CG   1 
ATOM   503  C  CD   A ARG   A 1 40  ? 5.213   69.727 66.064 0.70 21.52  ? 144 ARG   A CD   1 
ATOM   504  C  CD   B ARG   A 1 40  ? 6.208   70.235 65.867 0.30 15.96  ? 144 ARG   A CD   1 
ATOM   505  N  NE   A ARG   A 1 40  ? 5.867   70.123 64.850 0.70 25.37  ? 144 ARG   A NE   1 
ATOM   506  N  NE   B ARG   A 1 40  ? 7.378   70.556 65.045 0.30 16.15  ? 144 ARG   A NE   1 
ATOM   507  C  CZ   A ARG   A 1 40  ? 5.275   70.092 63.659 0.70 26.88  ? 144 ARG   A CZ   1 
ATOM   508  C  CZ   B ARG   A 1 40  ? 7.362   70.768 63.728 0.30 16.99  ? 144 ARG   A CZ   1 
ATOM   509  N  NH1  A ARG   A 1 40  ? 5.971   70.468 62.596 0.70 28.59  ? 144 ARG   A NH1  1 
ATOM   510  N  NH1  B ARG   A 1 40  ? 8.485   71.042 63.089 0.30 16.77  ? 144 ARG   A NH1  1 
ATOM   511  N  NH2  A ARG   A 1 40  ? 4.015   69.680 63.545 0.70 24.07  ? 144 ARG   A NH2  1 
ATOM   512  N  NH2  B ARG   A 1 40  ? 6.232   70.722 63.052 0.30 17.49  ? 144 ARG   A NH2  1 
ATOM   513  H  H    . ARG   A 1 40  ? 7.343   70.795 70.079 1.00 14.67  ? 144 ARG   A H    1 
ATOM   514  H  HA   . ARG   A 1 40  ? 5.178   68.976 70.340 1.00 15.05  ? 144 ARG   A HA   1 
ATOM   515  H  HB2  A ARG   A 1 40  ? 4.934   68.369 68.163 0.70 17.37  ? 144 ARG   A HB2  1 
ATOM   516  H  HB2  B ARG   A 1 40  ? 5.157   68.523 67.931 0.30 14.90  ? 144 ARG   A HB2  1 
ATOM   517  H  HB3  A ARG   A 1 40  ? 4.419   69.843 68.437 0.70 17.36  ? 144 ARG   A HB3  1 
ATOM   518  H  HB3  B ARG   A 1 40  ? 4.714   70.023 68.190 0.30 14.90  ? 144 ARG   A HB3  1 
ATOM   519  H  HG2  A ARG   A 1 40  ? 6.390   70.723 67.453 0.70 19.30  ? 144 ARG   A HG2  1 
ATOM   520  H  HG2  B ARG   A 1 40  ? 6.990   70.687 67.715 0.30 15.24  ? 144 ARG   A HG2  1 
ATOM   521  H  HG3  A ARG   A 1 40  ? 6.900   69.226 67.162 0.70 19.30  ? 144 ARG   A HG3  1 
ATOM   522  H  HG3  B ARG   A 1 40  ? 7.282   69.201 67.282 0.30 15.24  ? 144 ARG   A HG3  1 
ATOM   523  H  HD2  A ARG   A 1 40  ? 4.890   68.807 65.962 0.70 21.76  ? 144 ARG   A HD2  1 
ATOM   524  H  HD2  B ARG   A 1 40  ? 5.735   69.474 65.468 0.30 15.79  ? 144 ARG   A HD2  1 
ATOM   525  H  HD3  A ARG   A 1 40  ? 4.433   70.305 66.208 0.70 21.74  ? 144 ARG   A HD3  1 
ATOM   526  H  HD3  B ARG   A 1 40  ? 5.596   71.001 65.869 0.30 15.78  ? 144 ARG   A HD3  1 
ATOM   527  H  HE   A ARG   A 1 40  ? 6.696   70.393 64.893 0.70 24.81  ? 144 ARG   A HE   1 
ATOM   528  H  HE   B ARG   A 1 40  ? 8.151   70.594 65.445 0.30 16.46  ? 144 ARG   A HE   1 
ATOM   529  H  HH11 A ARG   A 1 40  ? 6.802   70.738 62.688 0.70 27.74  ? 144 ARG   A HH11 1 
ATOM   530  H  HH11 B ARG   A 1 40  ? 9.243   71.079 63.532 0.30 16.83  ? 144 ARG   A HH11 1 
ATOM   531  H  HH12 A ARG   A 1 40  ? 5.595   70.457 61.801 0.70 27.74  ? 144 ARG   A HH12 1 
ATOM   532  H  HH12 B ARG   A 1 40  ? 8.470   71.189 62.222 0.30 16.83  ? 144 ARG   A HH12 1 
ATOM   533  H  HH21 A ARG   A 1 40  ? 3.562   69.429 64.256 0.70 24.95  ? 144 ARG   A HH21 1 
ATOM   534  H  HH21 B ARG   A 1 40  ? 5.478   70.540 63.470 0.30 17.27  ? 144 ARG   A HH21 1 
ATOM   535  H  HH22 A ARG   A 1 40  ? 3.632   69.663 62.752 0.70 24.97  ? 144 ARG   A HH22 1 
ATOM   536  H  HH22 B ARG   A 1 40  ? 6.234   70.869 62.184 0.30 17.27  ? 144 ARG   A HH22 1 
ATOM   537  N  N    . ILE   A 1 41  ? 6.616   66.978 69.884 1.00 13.58  ? 145 ILE   A N    1 
ATOM   538  C  CA   . ILE   A 1 41  ? 7.504   65.829 69.744 1.00 13.63  ? 145 ILE   A CA   1 
ATOM   539  C  C    . ILE   A 1 41  ? 6.776   64.856 68.821 1.00 13.56  ? 145 ILE   A C    1 
ATOM   540  O  O    . ILE   A 1 41  ? 5.552   64.825 68.866 1.00 12.77  ? 145 ILE   A O    1 
ATOM   541  C  CB   . ILE   A 1 41  ? 7.709   65.192 71.110 1.00 14.94  ? 145 ILE   A CB   1 
ATOM   542  C  CG1  . ILE   A 1 41  ? 8.321   66.201 72.082 1.00 15.23  ? 145 ILE   A CG1  1 
ATOM   543  C  CG2  . ILE   A 1 41  ? 8.482   63.888 70.999 1.00 15.64  ? 145 ILE   A CG2  1 
ATOM   544  C  CD1  . ILE   A 1 41  ? 8.273   65.670 73.476 1.00 16.94  ? 145 ILE   A CD1  1 
ATOM   545  H  H    . ILE   A 1 41  ? 5.644   66.799 70.096 1.00 13.88  ? 145 ILE   A H    1 
ATOM   546  H  HA   . ILE   A 1 41  ? 8.357   66.097 69.357 1.00 13.86  ? 145 ILE   A HA   1 
ATOM   547  H  HB   . ILE   A 1 41  ? 6.811   64.967 71.458 1.00 14.87  ? 145 ILE   A HB   1 
ATOM   548  H  HG12 . ILE   A 1 41  ? 9.252   66.375 71.829 1.00 15.55  ? 145 ILE   A HG12 1 
ATOM   549  H  HG13 . ILE   A 1 41  ? 7.823   67.043 72.040 1.00 15.54  ? 145 ILE   A HG13 1 
ATOM   550  H  HG21 . ILE   A 1 41  ? 7.869   63.162 70.786 1.00 15.42  ? 145 ILE   A HG21 1 
ATOM   551  H  HG22 . ILE   A 1 41  ? 8.925   63.695 71.842 1.00 15.42  ? 145 ILE   A HG22 1 
ATOM   552  H  HG23 . ILE   A 1 41  ? 9.149   63.963 70.295 1.00 15.41  ? 145 ILE   A HG23 1 
ATOM   553  H  HD11 . ILE   A 1 41  ? 7.454   65.162 73.607 1.00 16.38  ? 145 ILE   A HD11 1 
ATOM   554  H  HD12 . ILE   A 1 41  ? 8.296   66.411 74.107 1.00 16.39  ? 145 ILE   A HD12 1 
ATOM   555  H  HD13 . ILE   A 1 41  ? 9.040   65.092 73.632 1.00 16.39  ? 145 ILE   A HD13 1 
ATOM   556  N  N    . ALA   A 1 42  ? 7.522   64.025 68.076 1.00 13.26  ? 146 ALA   A N    1 
ATOM   557  C  CA   . ALA   A 1 42  ? 6.863   62.966 67.323 1.00 12.67  ? 146 ALA   A CA   1 
ATOM   558  C  C    . ALA   A 1 42  ? 7.720   61.712 67.254 1.00 12.02  ? 146 ALA   A C    1 
ATOM   559  O  O    . ALA   A 1 42  ? 8.943   61.789 67.016 1.00 13.41  ? 146 ALA   A O    1 
ATOM   560  C  CB   . ALA   A 1 42  ? 6.644   63.428 65.923 1.00 14.27  ? 146 ALA   A CB   1 
ATOM   561  H  H    . ALA   A 1 42  ? 8.525   64.128 68.029 1.00 13.20  ? 146 ALA   A H    1 
ATOM   562  H  HA   . ALA   A 1 42  ? 6.000   62.753 67.741 1.00 12.93  ? 146 ALA   A HA   1 
ATOM   563  H  HB1  . ALA   A 1 42  ? 6.062   64.206 65.925 1.00 13.76  ? 146 ALA   A HB1  1 
ATOM   564  H  HB2  . ALA   A 1 42  ? 6.229   62.717 65.406 1.00 13.75  ? 146 ALA   A HB2  1 
ATOM   565  H  HB3  . ALA   A 1 42  ? 7.496   63.664 65.521 1.00 13.76  ? 146 ALA   A HB3  1 
ATOM   566  N  N    . LEU   A 1 43  ? 7.026   60.586 67.430 1.00 11.36  ? 147 LEU   A N    1 
ATOM   567  C  CA   . LEU   A 1 43  ? 7.566   59.262 67.099 1.00 12.19  ? 147 LEU   A CA   1 
ATOM   568  C  C    . LEU   A 1 43  ? 6.748   58.761 65.912 1.00 13.07  ? 147 LEU   A C    1 
ATOM   569  O  O    . LEU   A 1 43  ? 5.501   58.848 65.925 1.00 13.77  ? 147 LEU   A O    1 
ATOM   570  C  CB   . LEU   A 1 43  ? 7.391   58.261 68.234 1.00 14.27  ? 147 LEU   A CB   1 
ATOM   571  C  CG   . LEU   A 1 43  ? 7.945   58.578 69.607 1.00 19.48  ? 147 LEU   A CG   1 
ATOM   572  C  CD1  . LEU   A 1 43  ? 8.064   57.318 70.428 1.00 20.18  ? 147 LEU   A CD1  1 
ATOM   573  C  CD2  . LEU   A 1 43  ? 9.222   59.296 69.509 1.00 21.63  ? 147 LEU   A CD2  1 
ATOM   574  H  H    . LEU   A 1 43  ? 6.092   60.640 67.810 1.00 11.71  ? 147 LEU   A H    1 
ATOM   575  H  HA   . LEU   A 1 43  ? 8.512   59.340 66.847 1.00 12.59  ? 147 LEU   A HA   1 
ATOM   576  H  HB2  . LEU   A 1 43  ? 6.432   58.098 68.336 1.00 14.79  ? 147 LEU   A HB2  1 
ATOM   577  H  HB3  . LEU   A 1 43  ? 7.789   57.417 67.943 1.00 14.81  ? 147 LEU   A HB3  1 
ATOM   578  H  HG   . LEU   A 1 43  ? 7.300   59.173 70.062 1.00 18.84  ? 147 LEU   A HG   1 
ATOM   579  H  HD11 . LEU   A 1 43  ? 7.193   56.890 70.494 1.00 19.96  ? 147 LEU   A HD11 1 
ATOM   580  H  HD12 . LEU   A 1 43  ? 8.384   57.539 71.320 1.00 19.96  ? 147 LEU   A HD12 1 
ATOM   581  H  HD13 . LEU   A 1 43  ? 8.692   56.709 70.001 1.00 19.95  ? 147 LEU   A HD13 1 
ATOM   582  H  HD21 . LEU   A 1 43  ? 9.775   58.886 68.821 1.00 20.84  ? 147 LEU   A HD21 1 
ATOM   583  H  HD22 . LEU   A 1 43  ? 9.686   59.253 70.364 1.00 20.90  ? 147 LEU   A HD22 1 
ATOM   584  H  HD23 . LEU   A 1 43  ? 9.056   60.226 69.280 1.00 20.88  ? 147 LEU   A HD23 1 
ATOM   585  N  N    . ASP   A 1 44  ? 7.449   58.265 64.880 1.00 11.26  ? 148 ASP   A N    1 
ATOM   586  C  CA   . ASP   A 1 44  ? 6.814   57.757 63.667 1.00 11.69  ? 148 ASP   A CA   1 
ATOM   587  C  C    . ASP   A 1 44  ? 7.332   56.362 63.370 1.00 10.26  ? 148 ASP   A C    1 
ATOM   588  O  O    . ASP   A 1 44  ? 8.469   56.216 62.903 1.00 10.96  ? 148 ASP   A O    1 
ATOM   589  C  CB   . ASP   A 1 44  ? 7.139   58.678 62.513 1.00 13.33  ? 148 ASP   A CB   1 
ATOM   590  C  CG   . ASP   A 1 44  ? 6.377   59.982 62.608 1.00 16.76  ? 148 ASP   A CG   1 
ATOM   591  O  OD1  . ASP   A 1 44  ? 5.155   59.953 62.332 1.00 18.79  ? 148 ASP   A OD1  1 
ATOM   592  O  OD2  . ASP   A 1 44  ? 7.007   60.995 62.976 1.00 19.41  ? 148 ASP   A OD2  1 
ATOM   593  H  H    . ASP   A 1 44  ? 8.457   58.240 64.941 1.00 11.77  ? 148 ASP   A H    1 
ATOM   594  H  HA   . ASP   A 1 44  ? 5.838   57.725 63.795 1.00 11.61  ? 148 ASP   A HA   1 
ATOM   595  H  HB2  . ASP   A 1 44  ? 8.099   58.873 62.510 1.00 13.64  ? 148 ASP   A HB2  1 
ATOM   596  H  HB3  . ASP   A 1 44  ? 6.909   58.240 61.668 1.00 13.63  ? 148 ASP   A HB3  1 
ATOM   597  N  N    . PHE   A 1 45  ? 6.496   55.358 63.614 1.00 9.71   ? 149 PHE   A N    1 
ATOM   598  C  CA   . PHE   A 1 45  ? 6.803   53.988 63.178 1.00 10.25  ? 149 PHE   A CA   1 
ATOM   599  C  C    . PHE   A 1 45  ? 6.403   53.858 61.712 1.00 11.84  ? 149 PHE   A C    1 
ATOM   600  O  O    . PHE   A 1 45  ? 5.210   53.992 61.427 1.00 11.45  ? 149 PHE   A O    1 
ATOM   601  C  CB   . PHE   A 1 45  ? 6.042   52.968 64.022 1.00 10.30  ? 149 PHE   A CB   1 
ATOM   602  C  CG   . PHE   A 1 45  ? 6.568   52.834 65.415 1.00 11.14  ? 149 PHE   A CG   1 
ATOM   603  C  CD1  . PHE   A 1 45  ? 6.134   53.672 66.454 1.00 11.31  ? 149 PHE   A CD1  1 
ATOM   604  C  CD2  . PHE   A 1 45  ? 7.489   51.849 65.704 1.00 11.96  ? 149 PHE   A CD2  1 
ATOM   605  C  CE1  . PHE   A 1 45  ? 6.655   53.529 67.735 1.00 12.98  ? 149 PHE   A CE1  1 
ATOM   606  C  CE2  . PHE   A 1 45  ? 7.990   51.709 66.970 1.00 13.07  ? 149 PHE   A CE2  1 
ATOM   607  C  CZ   . PHE   A 1 45  ? 7.585   52.543 67.971 1.00 12.62  ? 149 PHE   A CZ   1 
ATOM   608  H  H    . PHE   A 1 45  ? 5.634   55.532 64.111 1.00 9.98   ? 149 PHE   A H    1 
ATOM   609  H  HA   . PHE   A 1 45  ? 7.776   53.824 63.267 1.00 10.44  ? 149 PHE   A HA   1 
ATOM   610  H  HB2  . PHE   A 1 45  ? 5.100   53.235 64.061 1.00 10.48  ? 149 PHE   A HB2  1 
ATOM   611  H  HB3  . PHE   A 1 45  ? 6.089   52.096 63.578 1.00 10.49  ? 149 PHE   A HB3  1 
ATOM   612  H  HD1  . PHE   A 1 45  ? 5.507   54.355 66.274 1.00 11.68  ? 149 PHE   A HD1  1 
ATOM   613  H  HD2  . PHE   A 1 45  ? 7.788   51.275 65.016 1.00 12.00  ? 149 PHE   A HD2  1 
ATOM   614  H  HE1  . PHE   A 1 45  ? 6.370   54.097 68.433 1.00 12.43  ? 149 PHE   A HE1  1 
ATOM   615  H  HE2  . PHE   A 1 45  ? 8.628   51.036 67.150 1.00 12.62  ? 149 PHE   A HE2  1 
ATOM   616  H  HZ   . PHE   A 1 45  ? 7.930   52.428 68.842 1.00 12.71  ? 149 PHE   A HZ   1 
ATOM   617  N  N    . GLN   A 1 46  ? 7.374   53.638 60.817 1.00 9.92   ? 150 GLN   A N    1 
ATOM   618  C  CA   A GLN   A 1 46  ? 7.149   53.742 59.374 0.50 11.27  ? 150 GLN   A CA   1 
ATOM   619  C  CA   B GLN   A 1 46  ? 7.157   53.751 59.376 0.50 11.77  ? 150 GLN   A CA   1 
ATOM   620  C  C    . GLN   A 1 46  ? 7.122   52.384 58.706 1.00 11.44  ? 150 GLN   A C    1 
ATOM   621  O  O    . GLN   A 1 46  ? 7.934   51.535 59.001 1.00 11.15  ? 150 GLN   A O    1 
ATOM   622  C  CB   A GLN   A 1 46  ? 8.289   54.464 58.638 0.50 11.99  ? 150 GLN   A CB   1 
ATOM   623  C  CB   B GLN   A 1 46  ? 8.244   54.678 58.831 0.50 13.62  ? 150 GLN   A CB   1 
ATOM   624  C  CG   A GLN   A 1 46  ? 8.629   55.853 59.153 0.50 13.45  ? 150 GLN   A CG   1 
ATOM   625  C  CG   B GLN   A 1 46  ? 7.933   56.136 59.198 0.50 15.18  ? 150 GLN   A CG   1 
ATOM   626  C  CD   A GLN   A 1 46  ? 7.899   56.981 58.456 0.50 13.88  ? 150 GLN   A CD   1 
ATOM   627  C  CD   B GLN   A 1 46  ? 9.179   56.972 59.348 0.50 18.65  ? 150 GLN   A CD   1 
ATOM   628  O  OE1  A GLN   A 1 46  ? 7.981   58.117 58.917 0.50 17.68  ? 150 GLN   A OE1  1 
ATOM   629  O  OE1  B GLN   A 1 46  ? 10.187  56.569 59.923 0.50 21.48  ? 150 GLN   A OE1  1 
ATOM   630  N  NE2  A GLN   A 1 46  ? 7.217   56.733 57.342 0.50 13.69  ? 150 GLN   A NE2  1 
ATOM   631  N  NE2  B GLN   A 1 46  ? 9.096   58.175 58.812 0.50 21.75  ? 150 GLN   A NE2  1 
ATOM   632  H  H    . GLN   A 1 46  ? 8.294   53.384 61.147 1.00 10.86  ? 150 GLN   A H    1 
ATOM   633  H  HA   . GLN   A 1 46  ? 6.291   54.196 59.221 1.00 11.59  ? 150 GLN   A HA   1 
ATOM   634  H  HB2  A GLN   A 1 46  ? 9.090   53.906 58.695 0.50 12.16  ? 150 GLN   A HB2  1 
ATOM   635  H  HB2  B GLN   A 1 46  ? 9.108   54.419 59.210 0.50 13.50  ? 150 GLN   A HB2  1 
ATOM   636  H  HB3  A GLN   A 1 46  ? 8.046   54.533 57.691 0.50 12.14  ? 150 GLN   A HB3  1 
ATOM   637  H  HB3  B GLN   A 1 46  ? 8.291   54.584 57.857 0.50 13.50  ? 150 GLN   A HB3  1 
ATOM   638  H  HG2  A GLN   A 1 46  ? 8.425   55.894 60.111 0.50 13.18  ? 150 GLN   A HG2  1 
ATOM   639  H  HG2  B GLN   A 1 46  ? 7.366   56.529 58.501 0.50 15.53  ? 150 GLN   A HG2  1 
ATOM   640  H  HG3  A GLN   A 1 46  ? 9.594   55.997 59.053 0.50 13.19  ? 150 GLN   A HG3  1 
ATOM   641  H  HG3  B GLN   A 1 46  ? 7.431   56.157 60.040 0.50 15.52  ? 150 GLN   A HG3  1 
ATOM   642  H  HE21 A GLN   A 1 46  ? 6.848   57.399 56.891 0.50 13.75  ? 150 GLN   A HE21 1 
ATOM   643  H  HE21 B GLN   A 1 46  ? 9.818   58.682 58.751 0.50 20.75  ? 150 GLN   A HE21 1 
ATOM   644  H  HE22 A GLN   A 1 46  ? 7.131   55.903 57.051 0.50 13.75  ? 150 GLN   A HE22 1 
ATOM   645  H  HE22 B GLN   A 1 46  ? 8.319   58.475 58.516 0.50 20.75  ? 150 GLN   A HE22 1 
ATOM   646  N  N    . ARG   A 1 47  ? 6.240   52.238 57.706 1.00 10.50  ? 151 ARG   A N    1 
ATOM   647  C  CA   . ARG   A 1 47  ? 6.230   51.137 56.745 1.00 11.24  ? 151 ARG   A CA   1 
ATOM   648  C  C    . ARG   A 1 47  ? 6.413   51.774 55.360 1.00 11.32  ? 151 ARG   A C    1 
ATOM   649  O  O    . ARG   A 1 47  ? 5.451   52.286 54.785 1.00 11.13  ? 151 ARG   A O    1 
ATOM   650  C  CB   . ARG   A 1 47  ? 4.912   50.348 56.838 1.00 11.69  ? 151 ARG   A CB   1 
ATOM   651  C  CG   . ARG   A 1 47  ? 4.739   49.296 55.761 1.00 12.95  ? 151 ARG   A CG   1 
ATOM   652  C  CD   . ARG   A 1 47  ? 3.523   48.400 55.910 1.00 15.45  ? 151 ARG   A CD   1 
ATOM   653  N  NE   . ARG   A 1 47  ? 3.393   47.530 54.737 1.00 14.80  ? 151 ARG   A NE   1 
ATOM   654  C  CZ   . ARG   A 1 47  ? 2.603   47.741 53.685 1.00 15.65  ? 151 ARG   A CZ   1 
ATOM   655  N  NH1  . ARG   A 1 47  ? 1.705   48.708 53.647 1.00 17.12  ? 151 ARG   A NH1  1 
ATOM   656  N  NH2  . ARG   A 1 47  ? 2.685   46.922 52.650 1.00 17.62  ? 151 ARG   A NH2  1 
ATOM   657  H  H    . ARG   A 1 47  ? 5.521   52.941 57.610 1.00 10.89  ? 151 ARG   A H    1 
ATOM   658  H  HA   . ARG   A 1 47  ? 6.986   50.536 56.931 1.00 11.20  ? 151 ARG   A HA   1 
ATOM   659  H  HB2  . ARG   A 1 47  ? 4.871   49.912 57.715 1.00 11.86  ? 151 ARG   A HB2  1 
ATOM   660  H  HB3  . ARG   A 1 47  ? 4.165   50.981 56.784 1.00 11.86  ? 151 ARG   A HB3  1 
ATOM   661  H  HG2  . ARG   A 1 47  ? 4.683   49.743 54.890 1.00 13.17  ? 151 ARG   A HG2  1 
ATOM   662  H  HG3  . ARG   A 1 47  ? 5.539   48.728 55.746 1.00 13.18  ? 151 ARG   A HG3  1 
ATOM   663  H  HD2  . ARG   A 1 47  ? 3.620   47.850 56.716 1.00 14.67  ? 151 ARG   A HD2  1 
ATOM   664  H  HD3  . ARG   A 1 47  ? 2.719   48.950 56.011 1.00 14.69  ? 151 ARG   A HD3  1 
ATOM   665  H  HE   . ARG   A 1 47  ? 3.984   46.894 54.658 1.00 15.25  ? 151 ARG   A HE   1 
ATOM   666  H  HH11 . ARG   A 1 47  ? 1.644   49.281 54.307 1.00 16.60  ? 151 ARG   A HH11 1 
ATOM   667  H  HH12 . ARG   A 1 47  ? 1.188   48.797 52.941 1.00 16.61  ? 151 ARG   A HH12 1 
ATOM   668  H  HH21 . ARG   A 1 47  ? 3.261   46.255 52.661 1.00 16.91  ? 151 ARG   A HH21 1 
ATOM   669  H  HH22 . ARG   A 1 47  ? 2.135   47.018 51.969 1.00 16.91  ? 151 ARG   A HH22 1 
ATOM   670  N  N    . GLY   A 1 48  ? 7.656   51.912 54.901 1.00 11.98  ? 152 GLY   A N    1 
ATOM   671  C  CA   . GLY   A 1 48  ? 7.949   52.734 53.738 1.00 11.51  ? 152 GLY   A CA   1 
ATOM   672  C  C    . GLY   A 1 48  ? 7.478   54.181 53.958 1.00 11.93  ? 152 GLY   A C    1 
ATOM   673  O  O    . GLY   A 1 48  ? 7.778   54.741 55.000 1.00 13.92  ? 152 GLY   A O    1 
ATOM   674  H  H    . GLY   A 1 48  ? 8.416   51.438 55.367 1.00 11.71  ? 152 GLY   A H    1 
ATOM   675  H  HA2  . GLY   A 1 48  ? 8.924   52.724 53.571 1.00 11.72  ? 152 GLY   A HA2  1 
ATOM   676  H  HA3  . GLY   A 1 48  ? 7.493   52.351 52.949 1.00 11.72  ? 152 GLY   A HA3  1 
ATOM   677  N  N    . ASN   A 1 49  ? 6.705   54.734 53.039 1.00 11.22  ? 153 ASN   A N    1 
ATOM   678  C  CA   . ASN   A 1 49  ? 6.156   56.075 53.207 1.00 11.57  ? 153 ASN   A CA   1 
ATOM   679  C  C    . ASN   A 1 49  ? 4.979   56.135 54.184 1.00 10.84  ? 153 ASN   A C    1 
ATOM   680  O  O    . ASN   A 1 49  ? 4.571   57.237 54.553 1.00 12.95  ? 153 ASN   A O    1 
ATOM   681  C  CB   . ASN   A 1 49  ? 5.789   56.680 51.853 1.00 11.88  ? 153 ASN   A CB   1 
ATOM   682  C  CG   . ASN   A 1 49  ? 5.350   58.132 51.947 1.00 13.33  ? 153 ASN   A CG   1 
ATOM   683  O  OD1  . ASN   A 1 49  ? 6.171   58.972 52.306 1.00 16.03  ? 153 ASN   A OD1  1 
ATOM   684  N  ND2  . ASN   A 1 49  ? 4.111   58.405 51.593 1.00 13.03  ? 153 ASN   A ND2  1 
ATOM   685  H  H    . ASN   A 1 49  ? 6.486   54.221 52.197 1.00 11.47  ? 153 ASN   A H    1 
ATOM   686  H  HA   . ASN   A 1 49  ? 6.875   56.639 53.578 1.00 11.42  ? 153 ASN   A HA   1 
ATOM   687  H  HB2  . ASN   A 1 49  ? 6.563   56.620 51.260 1.00 12.13  ? 153 ASN   A HB2  1 
ATOM   688  H  HB3  . ASN   A 1 49  ? 5.066   56.152 51.458 1.00 12.14  ? 153 ASN   A HB3  1 
ATOM   689  H  HD21 . ASN   A 1 49  ? 3.935   59.137 51.130 1.00 13.12  ? 153 ASN   A HD21 1 
ATOM   690  H  HD22 . ASN   A 1 49  ? 3.456   57.856 51.817 1.00 13.12  ? 153 ASN   A HD22 1 
ATOM   691  N  N    . ASP   A 1 50  ? 4.381   55.008 54.494 1.00 9.88   ? 154 ASP   A N    1 
ATOM   692  C  CA   . ASP   A 1 50  ? 3.274   54.991 55.416 1.00 10.04  ? 154 ASP   A CA   1 
ATOM   693  C  C    . ASP   A 1 50  ? 3.800   55.143 56.830 1.00 11.03  ? 154 ASP   A C    1 
ATOM   694  O  O    . ASP   A 1 50  ? 4.880   54.694 57.187 1.00 12.00  ? 154 ASP   A O    1 
ATOM   695  C  CB   . ASP   A 1 50  ? 2.428   53.743 55.211 1.00 10.93  ? 154 ASP   A CB   1 
ATOM   696  C  CG   . ASP   A 1 50  ? 1.522   53.787 54.009 1.00 12.02  ? 154 ASP   A CG   1 
ATOM   697  O  OD1  . ASP   A 1 50  ? 1.512   54.831 53.312 1.00 12.75  ? 154 ASP   A OD1  1 
ATOM   698  O  OD2  . ASP   A 1 50  ? 0.857   52.787 53.825 1.00 14.39  ? 154 ASP   A OD2  1 
ATOM   699  H  H    . ASP   A 1 50  ? 4.686   54.141 54.078 1.00 10.15  ? 154 ASP   A H    1 
ATOM   700  H  HA   . ASP   A 1 50  ? 2.706   55.770 55.218 1.00 10.38  ? 154 ASP   A HA   1 
ATOM   701  H  HB2  . ASP   A 1 50  ? 3.017   52.967 55.122 1.00 10.96  ? 154 ASP   A HB2  1 
ATOM   702  H  HB3  . ASP   A 1 50  ? 1.870   53.608 56.005 1.00 10.96  ? 154 ASP   A HB3  1 
ATOM   703  N  N    . VAL   A 1 51  ? 2.965   55.778 57.660 1.00 10.35  ? 155 VAL   A N    1 
ATOM   704  C  CA   . VAL   A 1 51  ? 3.242   55.875 59.092 1.00 11.33  ? 155 VAL   A CA   1 
ATOM   705  C  C    . VAL   A 1 51  ? 2.228   54.998 59.811 1.00 10.93  ? 155 VAL   A C    1 
ATOM   706  O  O    . VAL   A 1 51  ? 1.046   55.324 59.927 1.00 10.98  ? 155 VAL   A O    1 
ATOM   707  C  CB   . VAL   A 1 51  ? 3.241   57.305 59.666 1.00 11.04  ? 155 VAL   A CB   1 
ATOM   708  C  CG1  . VAL   A 1 51  ? 3.557   57.251 61.154 1.00 12.92  ? 155 VAL   A CG1  1 
ATOM   709  C  CG2  . VAL   A 1 51  ? 4.205   58.193 58.923 1.00 11.90  ? 155 VAL   A CG2  1 
ATOM   710  H  H    . VAL   A 1 51  ? 2.123   56.201 57.296 1.00 10.74  ? 155 VAL   A H    1 
ATOM   711  H  HA   . VAL   A 1 51  ? 4.125   55.498 59.250 1.00 11.01  ? 155 VAL   A HA   1 
ATOM   712  H  HB   . VAL   A 1 51  ? 2.331   57.675 59.557 1.00 11.59  ? 155 VAL   A HB   1 
ATOM   713  H  HG11 . VAL   A 1 51  ? 2.775   56.943 61.643 1.00 12.31  ? 155 VAL   A HG11 1 
ATOM   714  H  HG12 . VAL   A 1 51  ? 3.801   58.139 61.465 1.00 12.32  ? 155 VAL   A HG12 1 
ATOM   715  H  HG13 . VAL   A 1 51  ? 4.298   56.639 61.309 1.00 12.30  ? 155 VAL   A HG13 1 
ATOM   716  H  HG21 . VAL   A 1 51  ? 5.098   57.810 58.964 1.00 11.63  ? 155 VAL   A HG21 1 
ATOM   717  H  HG22 . VAL   A 1 51  ? 4.213   59.077 59.331 1.00 11.63  ? 155 VAL   A HG22 1 
ATOM   718  H  HG23 . VAL   A 1 51  ? 3.927   58.269 57.994 1.00 11.63  ? 155 VAL   A HG23 1 
ATOM   719  N  N    . ALA   A 1 52  ? 2.709   53.828 60.280 1.00 10.05  ? 156 ALA   A N    1 
ATOM   720  C  CA   . ALA   A 1 52  ? 1.839   52.895 60.994 1.00 10.40  ? 156 ALA   A CA   1 
ATOM   721  C  C    . ALA   A 1 52  ? 1.318   53.482 62.300 1.00 10.47  ? 156 ALA   A C    1 
ATOM   722  O  O    . ALA   A 1 52  ? 0.166   53.269 62.665 1.00 11.03  ? 156 ALA   A O    1 
ATOM   723  C  CB   . ALA   A 1 52  ? 2.585   51.612 61.278 1.00 10.44  ? 156 ALA   A CB   1 
ATOM   724  H  H    . ALA   A 1 52  ? 3.680   53.586 60.140 1.00 10.34  ? 156 ALA   A H    1 
ATOM   725  H  HA   . ALA   A 1 52  ? 1.067   52.690 60.418 1.00 10.36  ? 156 ALA   A HA   1 
ATOM   726  H  HB1  . ALA   A 1 52  ? 2.844   51.194 60.440 1.00 10.43  ? 156 ALA   A HB1  1 
ATOM   727  H  HB2  . ALA   A 1 52  ? 2.013   51.006 61.778 1.00 10.43  ? 156 ALA   A HB2  1 
ATOM   728  H  HB3  . ALA   A 1 52  ? 3.382   51.808 61.800 1.00 10.43  ? 156 ALA   A HB3  1 
ATOM   729  N  N    . PHE   A 1 53  ? 2.195   54.174 63.030 1.00 10.52  ? 157 PHE   A N    1 
ATOM   730  C  CA   . PHE   A 1 53  ? 1.849   54.726 64.347 1.00 9.92   ? 157 PHE   A CA   1 
ATOM   731  C  C    . PHE   A 1 53  ? 2.669   55.999 64.490 1.00 10.27  ? 157 PHE   A C    1 
ATOM   732  O  O    . PHE   A 1 53  ? 3.902   55.953 64.596 1.00 10.50  ? 157 PHE   A O    1 
ATOM   733  C  CB   . PHE   A 1 53  ? 2.130   53.702 65.450 1.00 9.73   ? 157 PHE   A CB   1 
ATOM   734  C  CG   . PHE   A 1 53  ? 1.939   54.176 66.872 1.00 9.66   ? 157 PHE   A CG   1 
ATOM   735  C  CD1  . PHE   A 1 53  ? 0.910   55.023 67.221 1.00 10.71  ? 157 PHE   A CD1  1 
ATOM   736  C  CD2  . PHE   A 1 53  ? 2.783   53.754 67.872 1.00 9.83   ? 157 PHE   A CD2  1 
ATOM   737  C  CE1  . PHE   A 1 53  ? 0.769   55.461 68.541 1.00 11.14  ? 157 PHE   A CE1  1 
ATOM   738  C  CE2  . PHE   A 1 53  ? 2.600   54.154 69.181 1.00 10.73  ? 157 PHE   A CE2  1 
ATOM   739  C  CZ   . PHE   A 1 53  ? 1.618   55.028 69.517 1.00 10.46  ? 157 PHE   A CZ   1 
ATOM   740  H  H    . PHE   A 1 53  ? 3.130   54.318 62.676 1.00 10.36  ? 157 PHE   A H    1 
ATOM   741  H  HA   . PHE   A 1 53  ? 0.886   54.958 64.358 1.00 10.07  ? 157 PHE   A HA   1 
ATOM   742  H  HB2  . PHE   A 1 53  ? 1.547   52.929 65.300 1.00 9.76   ? 157 PHE   A HB2  1 
ATOM   743  H  HB3  . PHE   A 1 53  ? 3.055   53.395 65.347 1.00 9.76   ? 157 PHE   A HB3  1 
ATOM   744  H  HD1  . PHE   A 1 53  ? 0.324   55.347 66.556 1.00 10.53  ? 157 PHE   A HD1  1 
ATOM   745  H  HD2  . PHE   A 1 53  ? 3.481   53.154 67.664 1.00 10.04  ? 157 PHE   A HD2  1 
ATOM   746  H  HE1  . PHE   A 1 53  ? 0.063   56.046 68.763 1.00 10.82  ? 157 PHE   A HE1  1 
ATOM   747  H  HE2  . PHE   A 1 53  ? 3.205   53.858 69.843 1.00 10.45  ? 157 PHE   A HE2  1 
ATOM   748  H  HZ   . PHE   A 1 53  ? 1.504   55.303 70.413 1.00 10.64  ? 157 PHE   A HZ   1 
ATOM   749  N  N    . HIS   A 1 54  ? 1.931   57.113 64.555 1.00 9.53   ? 158 HIS   A N    1 
ATOM   750  C  CA   . HIS   A 1 54  ? 2.425   58.449 64.835 1.00 10.17  ? 158 HIS   A CA   1 
ATOM   751  C  C    . HIS   A 1 54  ? 1.962   58.833 66.220 1.00 11.40  ? 158 HIS   A C    1 
ATOM   752  O  O    . HIS   A 1 54  ? 0.752   58.814 66.443 1.00 11.69  ? 158 HIS   A O    1 
ATOM   753  C  CB   . HIS   A 1 54  ? 1.842   59.417 63.811 1.00 10.27  ? 158 HIS   A CB   1 
ATOM   754  C  CG   . HIS   A 1 54  ? 2.144   60.863 63.993 1.00 11.16  ? 158 HIS   A CG   1 
ATOM   755  N  ND1  . HIS   A 1 54  ? 3.298   61.440 63.576 1.00 12.20  ? 158 HIS   A ND1  1 
ATOM   756  C  CD2  . HIS   A 1 54  ? 1.341   61.885 64.388 1.00 12.75  ? 158 HIS   A CD2  1 
ATOM   757  C  CE1  . HIS   A 1 54  ? 3.234   62.756 63.837 1.00 13.06  ? 158 HIS   A CE1  1 
ATOM   758  N  NE2  . HIS   A 1 54  ? 2.071   63.034 64.293 1.00 14.14  ? 158 HIS   A NE2  1 
ATOM   759  H  H    . HIS   A 1 54  ? 0.939   57.018 64.392 1.00 9.85   ? 158 HIS   A H    1 
ATOM   760  H  HA   . HIS   A 1 54  ? 3.407   58.454 64.793 1.00 10.29  ? 158 HIS   A HA   1 
ATOM   761  H  HB2  . HIS   A 1 54  ? 2.162   59.148 62.921 1.00 10.45  ? 158 HIS   A HB2  1 
ATOM   762  H  HB3  . HIS   A 1 54  ? 0.866   59.309 63.810 1.00 10.45  ? 158 HIS   A HB3  1 
ATOM   763  H  HD1  . HIS   A 1 54  ? 3.991   61.020 63.276 1.00 12.20  ? 158 HIS   A HD1  1 
ATOM   764  H  HD2  . HIS   A 1 54  ? 0.465   61.812 64.718 1.00 12.64  ? 158 HIS   A HD2  1 
ATOM   765  H  HE1  . HIS   A 1 54  ? 3.920   63.379 63.670 1.00 13.04  ? 158 HIS   A HE1  1 
ATOM   766  H  HE2  . HIS   A 1 54  ? 1.805   63.826 64.537 1.00 13.44  ? 158 HIS   A HE2  1 
ATOM   767  N  N    . PHE   A 1 55  ? 2.925   59.121 67.102 1.00 9.66   ? 159 PHE   A N    1 
ATOM   768  C  CA   . PHE   A 1 55  ? 2.678   59.518 68.489 1.00 9.93   ? 159 PHE   A CA   1 
ATOM   769  C  C    . PHE   A 1 55  ? 3.202   60.933 68.653 1.00 10.66  ? 159 PHE   A C    1 
ATOM   770  O  O    . PHE   A 1 55  ? 4.387   61.187 68.486 1.00 10.34  ? 159 PHE   A O    1 
ATOM   771  C  CB   . PHE   A 1 55  ? 3.405   58.540 69.399 1.00 9.80   ? 159 PHE   A CB   1 
ATOM   772  C  CG   . PHE   A 1 55  ? 3.427   58.896 70.870 1.00 10.17  ? 159 PHE   A CG   1 
ATOM   773  C  CD1  . PHE   A 1 55  ? 2.460   58.422 71.731 1.00 10.60  ? 159 PHE   A CD1  1 
ATOM   774  C  CD2  . PHE   A 1 55  ? 4.452   59.651 71.398 1.00 11.24  ? 159 PHE   A CD2  1 
ATOM   775  C  CE1  . PHE   A 1 55  ? 2.530   58.677 73.088 1.00 10.75  ? 159 PHE   A CE1  1 
ATOM   776  C  CE2  . PHE   A 1 55  ? 4.514   59.923 72.764 1.00 10.54  ? 159 PHE   A CE2  1 
ATOM   777  C  CZ   . PHE   A 1 55  ? 3.523   59.474 73.595 1.00 10.70  ? 159 PHE   A CZ   1 
ATOM   778  H  H    . PHE   A 1 55  ? 3.886   59.063 66.795 1.00 10.11  ? 159 PHE   A H    1 
ATOM   779  H  HA   . PHE   A 1 55  ? 1.706   59.495 68.679 1.00 10.00  ? 159 PHE   A HA   1 
ATOM   780  H  HB2  . PHE   A 1 55  ? 2.984   57.661 69.299 1.00 9.92   ? 159 PHE   A HB2  1 
ATOM   781  H  HB3  . PHE   A 1 55  ? 4.329   58.462 69.085 1.00 9.93   ? 159 PHE   A HB3  1 
ATOM   782  H  HD1  . PHE   A 1 55  ? 1.765   57.880 71.394 1.00 10.54  ? 159 PHE   A HD1  1 
ATOM   783  H  HD2  . PHE   A 1 55  ? 5.131   59.973 70.827 1.00 10.80  ? 159 PHE   A HD2  1 
ATOM   784  H  HE1  . PHE   A 1 55  ? 1.843   58.369 73.657 1.00 10.70  ? 159 PHE   A HE1  1 
ATOM   785  H  HE2  . PHE   A 1 55  ? 5.207   60.465 73.105 1.00 10.72  ? 159 PHE   A HE2  1 
ATOM   786  H  HZ   . PHE   A 1 55  ? 3.558   59.659 74.520 1.00 10.67  ? 159 PHE   A HZ   1 
ATOM   787  N  N    . ASN   A 1 56  ? 2.292   61.887 68.905 1.00 10.54  ? 160 ASN   A N    1 
ATOM   788  C  CA   . ASN   A 1 56  ? 2.593   63.311 68.727 1.00 11.23  ? 160 ASN   A CA   1 
ATOM   789  C  C    . ASN   A 1 56  ? 2.114   64.135 69.905 1.00 11.63  ? 160 ASN   A C    1 
ATOM   790  O  O    . ASN   A 1 56  ? 1.044   64.755 69.832 1.00 11.57  ? 160 ASN   A O    1 
ATOM   791  C  CB   . ASN   A 1 56  ? 2.011   63.810 67.402 1.00 11.37  ? 160 ASN   A CB   1 
ATOM   792  C  CG   . ASN   A 1 56  ? 2.141   65.280 67.112 1.00 12.84  ? 160 ASN   A CG   1 
ATOM   793  O  OD1  . ASN   A 1 56  ? 1.237   65.860 66.499 1.00 14.56  ? 160 ASN   A OD1  1 
ATOM   794  N  ND2  . ASN   A 1 56  ? 3.217   65.861 67.550 1.00 13.96  ? 160 ASN   A ND2  1 
ATOM   795  H  H    . ASN   A 1 56  ? 1.373   61.622 69.229 1.00 10.72  ? 160 ASN   A H    1 
ATOM   796  H  HA   . ASN   A 1 56  ? 3.570   63.407 68.665 1.00 11.20  ? 160 ASN   A HA   1 
ATOM   797  H  HB2  . ASN   A 1 56  ? 2.448   63.318 66.681 1.00 11.68  ? 160 ASN   A HB2  1 
ATOM   798  H  HB3  . ASN   A 1 56  ? 1.062   63.578 67.380 1.00 11.68  ? 160 ASN   A HB3  1 
ATOM   799  H  HD21 . ASN   A 1 56  ? 3.161   66.636 67.971 1.00 13.60  ? 160 ASN   A HD21 1 
ATOM   800  H  HD22 . ASN   A 1 56  ? 4.005   65.480 67.428 1.00 13.59  ? 160 ASN   A HD22 1 
ATOM   801  N  N    . PRO   A 1 57  ? 2.942   64.276 70.957 1.00 11.17  ? 161 PRO   A N    1 
ATOM   802  C  CA   . PRO   A 1 57  ? 2.691   65.274 72.009 1.00 11.80  ? 161 PRO   A CA   1 
ATOM   803  C  C    . PRO   A 1 57  ? 2.737   66.685 71.453 1.00 11.36  ? 161 PRO   A C    1 
ATOM   804  O  O    . PRO   A 1 57  ? 3.730   67.101 70.828 1.00 12.26  ? 161 PRO   A O    1 
ATOM   805  C  CB   . PRO   A 1 57  ? 3.804   65.017 73.018 1.00 12.20  ? 161 PRO   A CB   1 
ATOM   806  C  CG   . PRO   A 1 57  ? 4.176   63.571 72.797 1.00 12.34  ? 161 PRO   A CG   1 
ATOM   807  C  CD   . PRO   A 1 57  ? 4.066   63.375 71.290 1.00 11.34  ? 161 PRO   A CD   1 
ATOM   808  H  HA   . PRO   A 1 57  ? 1.814   65.096 72.431 1.00 11.68  ? 161 PRO   A HA   1 
ATOM   809  H  HB2  . PRO   A 1 57  ? 4.572   65.604 72.854 1.00 12.13  ? 161 PRO   A HB2  1 
ATOM   810  H  HB3  . PRO   A 1 57  ? 3.486   65.159 73.935 1.00 12.13  ? 161 PRO   A HB3  1 
ATOM   811  H  HG2  . PRO   A 1 57  ? 5.088   63.395 73.105 1.00 12.06  ? 161 PRO   A HG2  1 
ATOM   812  H  HG3  . PRO   A 1 57  ? 3.560   62.976 73.271 1.00 12.06  ? 161 PRO   A HG3  1 
ATOM   813  H  HD2  . PRO   A 1 57  ? 4.886   63.643 70.836 1.00 11.53  ? 161 PRO   A HD2  1 
ATOM   814  H  HD3  . PRO   A 1 57  ? 3.860   62.449 71.065 1.00 11.52  ? 161 PRO   A HD3  1 
ATOM   815  N  N    . ARG   A 1 58  ? 1.625   67.428 71.656 1.00 11.54  ? 162 ARG   A N    1 
ATOM   816  C  CA   . ARG   A 1 58  ? 1.501   68.836 71.312 1.00 12.04  ? 162 ARG   A CA   1 
ATOM   817  C  C    . ARG   A 1 58  ? 1.347   69.653 72.602 1.00 11.53  ? 162 ARG   A C    1 
ATOM   818  O  O    . ARG   A 1 58  ? 0.420   69.432 73.385 1.00 13.15  ? 162 ARG   A O    1 
ATOM   819  C  CB   . ARG   A 1 58  ? 0.269   69.050 70.432 1.00 12.72  ? 162 ARG   A CB   1 
ATOM   820  C  CG   . ARG   A 1 58  ? 0.336   68.290 69.117 1.00 13.24  ? 162 ARG   A CG   1 
ATOM   821  C  CD   . ARG   A 1 58  ? -0.887  68.439 68.262 1.00 13.77  ? 162 ARG   A CD   1 
ATOM   822  N  NE   . ARG   A 1 58  ? -0.809  67.559 67.079 1.00 14.42  ? 162 ARG   A NE   1 
ATOM   823  C  CZ   . ARG   A 1 58  ? -1.700  67.547 66.102 1.00 14.87  ? 162 ARG   A CZ   1 
ATOM   824  N  NH1  . ARG   A 1 58  ? -2.744  68.364 66.160 1.00 14.82  ? 162 ARG   A NH1  1 
ATOM   825  N  NH2  . ARG   A 1 58  ? -1.518  66.752 65.064 1.00 15.23  ? 162 ARG   A NH2  1 
ATOM   826  H  H    . ARG   A 1 58  ? 0.823   66.977 72.073 1.00 11.61  ? 162 ARG   A H    1 
ATOM   827  H  HA   . ARG   A 1 58  ? 2.307   69.127 70.828 1.00 11.97  ? 162 ARG   A HA   1 
ATOM   828  H  HB2  . ARG   A 1 58  ? -0.526  68.762 70.927 1.00 12.67  ? 162 ARG   A HB2  1 
ATOM   829  H  HB3  . ARG   A 1 58  ? 0.179   70.008 70.243 1.00 12.67  ? 162 ARG   A HB3  1 
ATOM   830  H  HG2  . ARG   A 1 58  ? 1.114   68.603 68.608 1.00 13.23  ? 162 ARG   A HG2  1 
ATOM   831  H  HG3  . ARG   A 1 58  ? 0.470   67.337 69.306 1.00 13.23  ? 162 ARG   A HG3  1 
ATOM   832  H  HD2  . ARG   A 1 58  ? -1.683  68.212 68.788 1.00 13.79  ? 162 ARG   A HD2  1 
ATOM   833  H  HD3  . ARG   A 1 58  ? -0.968  69.372 67.971 1.00 13.80  ? 162 ARG   A HD3  1 
ATOM   834  H  HE   . ARG   A 1 58  ? -0.120  67.030 67.007 1.00 14.40  ? 162 ARG   A HE   1 
ATOM   835  H  HH11 . ARG   A 1 58  ? -2.853  68.898 66.848 1.00 14.82  ? 162 ARG   A HH11 1 
ATOM   836  H  HH12 . ARG   A 1 58  ? -3.338  68.358 65.512 1.00 14.82  ? 162 ARG   A HH12 1 
ATOM   837  H  HH21 . ARG   A 1 58  ? -0.820  66.221 65.038 1.00 15.07  ? 162 ARG   A HH21 1 
ATOM   838  H  HH22 . ARG   A 1 58  ? -2.111  66.736 64.413 1.00 15.07  ? 162 ARG   A HH22 1 
ATOM   839  N  N    . PHE   A 1 59  ? 2.300   70.594 72.805 1.00 12.41  ? 163 PHE   A N    1 
ATOM   840  C  CA   . PHE   A 1 59  ? 2.399   71.332 74.054 1.00 13.42  ? 163 PHE   A CA   1 
ATOM   841  C  C    . PHE   A 1 59  ? 1.488   72.562 74.050 1.00 13.99  ? 163 PHE   A C    1 
ATOM   842  O  O    . PHE   A 1 59  ? 1.186   73.068 75.126 1.00 15.50  ? 163 PHE   A O    1 
ATOM   843  C  CB   . PHE   A 1 59  ? 3.848   71.762 74.325 1.00 13.72  ? 163 PHE   A CB   1 
ATOM   844  C  CG   . PHE   A 1 59  ? 4.725   70.613 74.758 1.00 13.73  ? 163 PHE   A CG   1 
ATOM   845  C  CD1  . PHE   A 1 59  ? 5.197   69.728 73.822 1.00 14.88  ? 163 PHE   A CD1  1 
ATOM   846  C  CD2  . PHE   A 1 59  ? 5.095   70.401 76.076 1.00 13.12  ? 163 PHE   A CD2  1 
ATOM   847  C  CE1  . PHE   A 1 59  ? 6.027   68.677 74.163 1.00 14.28  ? 163 PHE   A CE1  1 
ATOM   848  C  CE2  . PHE   A 1 59  ? 5.920   69.341 76.421 1.00 15.08  ? 163 PHE   A CE2  1 
ATOM   849  C  CZ   . PHE   A 1 59  ? 6.367   68.466 75.474 1.00 14.66  ? 163 PHE   A CZ   1 
ATOM   850  H  H    . PHE   A 1 59  ? 2.960   70.796 72.068 1.00 12.43  ? 163 PHE   A H    1 
ATOM   851  H  HA   . PHE   A 1 59  ? 2.110   70.738 74.792 1.00 13.38  ? 163 PHE   A HA   1 
ATOM   852  H  HB2  . PHE   A 1 59  ? 4.217   72.159 73.509 1.00 13.66  ? 163 PHE   A HB2  1 
ATOM   853  H  HB3  . PHE   A 1 59  ? 3.849   72.448 75.024 1.00 13.68  ? 163 PHE   A HB3  1 
ATOM   854  H  HD1  . PHE   A 1 59  ? 4.966   69.855 72.916 1.00 14.43  ? 163 PHE   A HD1  1 
ATOM   855  H  HD2  . PHE   A 1 59  ? 4.789   70.992 76.746 1.00 13.76  ? 163 PHE   A HD2  1 
ATOM   856  H  HE1  . PHE   A 1 59  ? 6.327   68.079 73.497 1.00 14.48  ? 163 PHE   A HE1  1 
ATOM   857  H  HE2  . PHE   A 1 59  ? 6.155   69.209 77.326 1.00 14.48  ? 163 PHE   A HE2  1 
ATOM   858  H  HZ   . PHE   A 1 59  ? 6.930   67.747 75.713 1.00 14.62  ? 163 PHE   A HZ   1 
ATOM   859  N  N    . ASN   A 1 60  ? 1.038   73.024 72.892 1.00 14.78  ? 164 ASN   A N    1 
ATOM   860  C  CA   . ASN   A 1 60  ? 0.178   74.200 72.840 1.00 16.39  ? 164 ASN   A CA   1 
ATOM   861  C  C    . ASN   A 1 60  ? -0.716  74.177 71.617 1.00 16.14  ? 164 ASN   A C    1 
ATOM   862  O  O    . ASN   A 1 60  ? -0.469  74.870 70.646 1.00 18.83  ? 164 ASN   A O    1 
ATOM   863  C  CB   . ASN   A 1 60  ? 1.044   75.438 72.882 1.00 20.06  ? 164 ASN   A CB   1 
ATOM   864  C  CG   . ASN   A 1 60  ? 0.254   76.721 72.803 1.00 24.48  ? 164 ASN   A CG   1 
ATOM   865  O  OD1  . ASN   A 1 60  ? -0.985  76.743 72.938 1.00 25.48  ? 164 ASN   A OD1  1 
ATOM   866  N  ND2  . ASN   A 1 60  ? 0.982   77.784 72.483 1.00 31.67  ? 164 ASN   A ND2  1 
ATOM   867  H  H    . ASN   A 1 60  ? 1.295   72.567 72.029 1.00 14.95  ? 164 ASN   A H    1 
ATOM   868  H  HA   . ASN   A 1 60  ? -0.394  74.205 73.644 1.00 16.66  ? 164 ASN   A HA   1 
ATOM   869  H  HB2  . ASN   A 1 60  ? 1.559   75.434 73.715 1.00 20.05  ? 164 ASN   A HB2  1 
ATOM   870  H  HB3  . ASN   A 1 60  ? 1.677   75.406 72.136 1.00 20.05  ? 164 ASN   A HB3  1 
ATOM   871  H  HD21 . ASN   A 1 60  ? 0.596   78.489 72.115 1.00 29.24  ? 164 ASN   A HD21 1 
ATOM   872  H  HD22 . ASN   A 1 60  ? 1.853   77.788 72.636 1.00 29.22  ? 164 ASN   A HD22 1 
ATOM   873  N  N    . GLU   A 1 61  ? -1.728  73.337 71.662 1.00 14.60  ? 165 GLU   A N    1 
ATOM   874  C  CA   . GLU   A 1 61  ? -2.761  73.271 70.650 1.00 15.80  ? 165 GLU   A CA   1 
ATOM   875  C  C    . GLU   A 1 61  ? -3.979  73.987 71.240 1.00 15.47  ? 165 GLU   A C    1 
ATOM   876  O  O    . GLU   A 1 61  ? -4.711  73.447 72.083 1.00 17.51  ? 165 GLU   A O    1 
ATOM   877  C  CB   . GLU   A 1 61  ? -3.055  71.828 70.281 1.00 18.00  ? 165 GLU   A CB   1 
ATOM   878  C  CG   . GLU   A 1 61  ? -4.117  71.770 69.216 1.00 18.67  ? 165 GLU   A CG   1 
ATOM   879  C  CD   . GLU   A 1 61  ? -4.693  70.390 68.988 1.00 23.15  ? 165 GLU   A CD   1 
ATOM   880  O  OE1  . GLU   A 1 61  ? -5.356  69.868 69.892 1.00 24.19  ? 165 GLU   A OE1  1 
ATOM   881  O  OE2  . GLU   A 1 61  ? -4.480  69.869 67.880 1.00 24.46  ? 165 GLU   A OE2  1 
ATOM   882  H  H    . GLU   A 1 61  ? -1.789  72.701 72.444 1.00 15.24  ? 165 GLU   A H    1 
ATOM   883  H  HA   . GLU   A 1 61  ? -2.457  73.754 69.847 1.00 15.91  ? 165 GLU   A HA   1 
ATOM   884  H  HB2  . GLU   A 1 61  ? -2.234  71.404 69.952 1.00 17.61  ? 165 GLU   A HB2  1 
ATOM   885  H  HB3  . GLU   A 1 61  ? -3.359  71.345 71.077 1.00 17.61  ? 165 GLU   A HB3  1 
ATOM   886  H  HG2  . GLU   A 1 61  ? -4.851  72.372 69.459 1.00 19.46  ? 165 GLU   A HG2  1 
ATOM   887  H  HG3  . GLU   A 1 61  ? -3.739  72.093 68.370 1.00 19.51  ? 165 GLU   A HG3  1 
ATOM   888  N  N    . ASN   A 1 62  ? -4.151  75.261 70.842 1.00 18.96  ? 166 ASN   A N    1 
ATOM   889  C  CA   . ASN   A 1 62  ? -5.168  76.141 71.412 1.00 17.34  ? 166 ASN   A CA   1 
ATOM   890  C  C    . ASN   A 1 62  ? -5.088  76.186 72.951 1.00 16.61  ? 166 ASN   A C    1 
ATOM   891  O  O    . ASN   A 1 62  ? -6.113  76.081 73.647 1.00 17.53  ? 166 ASN   A O    1 
ATOM   892  C  CB   . ASN   A 1 62  ? -6.555  75.698 70.944 1.00 21.84  ? 166 ASN   A CB   1 
ATOM   893  C  CG   . ASN   A 1 62  ? -6.693  75.796 69.436 1.00 27.49  ? 166 ASN   A CG   1 
ATOM   894  O  OD1  . ASN   A 1 62  ? -6.314  76.804 68.837 1.00 33.45  ? 166 ASN   A OD1  1 
ATOM   895  N  ND2  . ASN   A 1 62  ? -7.183  74.734 68.830 1.00 31.65  ? 166 ASN   A ND2  1 
ATOM   896  H  H    . ASN   A 1 62  ? -3.552  75.629 70.117 1.00 17.68  ? 166 ASN   A H    1 
ATOM   897  H  HA   . ASN   A 1 62  ? -5.013  77.051 71.067 1.00 18.30  ? 166 ASN   A HA   1 
ATOM   898  H  HB2  . ASN   A 1 62  ? -6.712  74.775 71.226 1.00 21.85  ? 166 ASN   A HB2  1 
ATOM   899  H  HB3  . ASN   A 1 62  ? -7.232  76.266 71.365 1.00 21.83  ? 166 ASN   A HB3  1 
ATOM   900  H  HD21 . ASN   A 1 62  ? -7.030  74.608 67.967 1.00 30.30  ? 166 ASN   A HD21 1 
ATOM   901  H  HD22 . ASN   A 1 62  ? -7.667  74.147 69.283 1.00 30.25  ? 166 ASN   A HD22 1 
ATOM   902  N  N    . ASN   A 1 63  ? -3.839  76.344 73.444 1.00 15.68  ? 167 ASN   A N    1 
ATOM   903  C  CA   . ASN   A 1 63  ? -3.539  76.481 74.870 1.00 16.34  ? 167 ASN   A CA   1 
ATOM   904  C  C    . ASN   A 1 63  ? -3.869  75.233 75.683 1.00 16.60  ? 167 ASN   A C    1 
ATOM   905  O  O    . ASN   A 1 63  ? -4.041  75.311 76.897 1.00 17.02  ? 167 ASN   A O    1 
ATOM   906  C  CB   . ASN   A 1 63  ? -4.272  77.703 75.436 1.00 16.84  ? 167 ASN   A CB   1 
ATOM   907  C  CG   . ASN   A 1 63  ? -3.819  78.951 74.736 1.00 18.62  ? 167 ASN   A CG   1 
ATOM   908  O  OD1  . ASN   A 1 63  ? -2.628  79.189 74.563 1.00 21.50  ? 167 ASN   A OD1  1 
ATOM   909  N  ND2  . ASN   A 1 63  ? -4.798  79.721 74.282 1.00 20.50  ? 167 ASN   A ND2  1 
ATOM   910  H  H    . ASN   A 1 63  ? -3.067  76.377 72.794 1.00 16.06  ? 167 ASN   A H    1 
ATOM   911  H  HA   . ASN   A 1 63  ? -2.574  76.651 74.958 1.00 16.40  ? 167 ASN   A HA   1 
ATOM   912  H  HB2  . ASN   A 1 63  ? -5.237  77.591 75.322 1.00 17.13  ? 167 ASN   A HB2  1 
ATOM   913  H  HB3  . ASN   A 1 63  ? -4.080  77.782 76.393 1.00 17.12  ? 167 ASN   A HB3  1 
ATOM   914  H  HD21 . ASN   A 1 63  ? -4.698  80.161 73.521 1.00 19.90  ? 167 ASN   A HD21 1 
ATOM   915  H  HD22 . ASN   A 1 63  ? -5.551  79.798 74.741 1.00 19.88  ? 167 ASN   A HD22 1 
ATOM   916  N  N    . ARG   A 1 64  ? -3.853  74.074 75.000 1.00 15.69  ? 168 ARG   A N    1 
ATOM   917  C  CA   A ARG   A 1 64  ? -4.052  72.780 75.623 0.50 15.88  ? 168 ARG   A CA   1 
ATOM   918  C  CA   B ARG   A 1 64  ? -4.051  72.781 75.622 0.50 15.67  ? 168 ARG   A CA   1 
ATOM   919  C  C    . ARG   A 1 64  ? -2.868  71.893 75.249 1.00 15.67  ? 168 ARG   A C    1 
ATOM   920  O  O    . ARG   A 1 64  ? -2.296  72.030 74.172 1.00 15.55  ? 168 ARG   A O    1 
ATOM   921  C  CB   A ARG   A 1 64  ? -5.356  72.122 75.164 0.50 17.44  ? 168 ARG   A CB   1 
ATOM   922  C  CB   B ARG   A 1 64  ? -5.358  72.132 75.165 0.50 16.83  ? 168 ARG   A CB   1 
ATOM   923  C  CG   A ARG   A 1 64  ? -6.596  72.989 75.323 0.50 18.75  ? 168 ARG   A CG   1 
ATOM   924  C  CG   B ARG   A 1 64  ? -6.590  72.973 75.455 0.50 17.56  ? 168 ARG   A CG   1 
ATOM   925  C  CD   A ARG   A 1 64  ? -7.135  72.972 76.727 0.50 20.27  ? 168 ARG   A CD   1 
ATOM   926  C  CD   B ARG   A 1 64  ? -6.841  73.073 76.935 0.50 18.31  ? 168 ARG   A CD   1 
ATOM   927  N  NE   A ARG   A 1 64  ? -8.301  73.842 76.833 0.50 22.29  ? 168 ARG   A NE   1 
ATOM   928  N  NE   B ARG   A 1 64  ? -7.973  73.955 77.138 0.50 20.03  ? 168 ARG   A NE   1 
ATOM   929  C  CZ   A ARG   A 1 64  ? -9.577  73.485 76.690 0.50 22.17  ? 168 ARG   A CZ   1 
ATOM   930  C  CZ   B ARG   A 1 64  ? -7.850  75.252 77.318 0.50 21.31  ? 168 ARG   A CZ   1 
ATOM   931  N  NH1  A ARG   A 1 64  ? -9.945  72.235 76.450 0.50 21.74  ? 168 ARG   A NH1  1 
ATOM   932  N  NH1  B ARG   A 1 64  ? -6.647  75.771 77.424 0.50 21.70  ? 168 ARG   A NH1  1 
ATOM   933  N  NH2  A ARG   A 1 64  ? -10.503 74.415 76.820 0.50 23.23  ? 168 ARG   A NH2  1 
ATOM   934  N  NH2  B ARG   A 1 64  ? -8.910  76.022 77.459 0.50 21.91  ? 168 ARG   A NH2  1 
ATOM   935  H  H    . ARG   A 1 64  ? -3.684  74.104 74.007 1.00 15.89  ? 168 ARG   A H    1 
ATOM   936  H  HA   . ARG   A 1 64  ? -4.070  72.897 76.600 1.00 16.07  ? 168 ARG   A HA   1 
ATOM   937  H  HB2  A ARG   A 1 64  ? -5.264  71.877 74.219 0.50 17.36  ? 168 ARG   A HB2  1 
ATOM   938  H  HB2  B ARG   A 1 64  ? -5.306  71.967 74.201 0.50 16.73  ? 168 ARG   A HB2  1 
ATOM   939  H  HB3  A ARG   A 1 64  ? -5.484  71.296 75.676 0.50 17.35  ? 168 ARG   A HB3  1 
ATOM   940  H  HB3  B ARG   A 1 64  ? -5.453  71.266 75.614 0.50 16.72  ? 168 ARG   A HB3  1 
ATOM   941  H  HG2  A ARG   A 1 64  ? -6.381  73.913 75.077 0.50 18.76  ? 168 ARG   A HG2  1 
ATOM   942  H  HG2  B ARG   A 1 64  ? -6.468  73.874 75.087 0.50 17.56  ? 168 ARG   A HG2  1 
ATOM   943  H  HG3  A ARG   A 1 64  ? -7.294  72.670 74.712 0.50 18.77  ? 168 ARG   A HG3  1 
ATOM   944  H  HG3  B ARG   A 1 64  ? -7.372  72.569 75.022 0.50 17.56  ? 168 ARG   A HG3  1 
ATOM   945  H  HD2  A ARG   A 1 64  ? -7.385  72.057 76.972 0.50 20.37  ? 168 ARG   A HD2  1 
ATOM   946  H  HD2  B ARG   A 1 64  ? -7.037  72.185 77.297 0.50 18.52  ? 168 ARG   A HD2  1 
ATOM   947  H  HD3  A ARG   A 1 64  ? -6.440  73.277 77.349 0.50 20.36  ? 168 ARG   A HD3  1 
ATOM   948  H  HD3  B ARG   A 1 64  ? -6.050  73.432 77.390 0.50 18.51  ? 168 ARG   A HD3  1 
ATOM   949  H  HE   A ARG   A 1 64  ? -8.148  74.685 76.993 0.50 21.81  ? 168 ARG   A HE   1 
ATOM   950  H  HE   B ARG   A 1 64  ? -8.776  73.625 77.051 0.50 20.00  ? 168 ARG   A HE   1 
ATOM   951  H  HH11 A ARG   A 1 64  ? -9.335  71.609 76.363 0.50 21.89  ? 168 ARG   A HH11 1 
ATOM   952  H  HH11 B ARG   A 1 64  ? -5.943  75.257 77.329 0.50 21.48  ? 168 ARG   A HH11 1 
ATOM   953  H  HH12 A ARG   A 1 64  ? -10.798 72.039 76.366 0.50 21.89  ? 168 ARG   A HH12 1 
ATOM   954  H  HH12 B ARG   A 1 64  ? -6.553  76.633 77.564 0.50 21.49  ? 168 ARG   A HH12 1 
ATOM   955  H  HH21 A ARG   A 1 64  ? -10.268 75.248 76.986 0.50 22.80  ? 168 ARG   A HH21 1 
ATOM   956  H  HH21 B ARG   A 1 64  ? -9.717  75.672 77.405 0.50 21.63  ? 168 ARG   A HH21 1 
ATOM   957  H  HH22 A ARG   A 1 64  ? -11.353 74.202 76.736 0.50 22.80  ? 168 ARG   A HH22 1 
ATOM   958  H  HH22 B ARG   A 1 64  ? -8.809  76.883 77.611 0.50 21.63  ? 168 ARG   A HH22 1 
ATOM   959  N  N    . ARG   A 1 65  ? -2.533  70.989 76.153 1.00 14.36  ? 169 ARG   A N    1 
ATOM   960  C  CA   A ARG   A 1 65  ? -1.518  69.977 75.931 0.50 13.73  ? 169 ARG   A CA   1 
ATOM   961  C  CA   B ARG   A 1 65  ? -1.519  69.977 75.928 0.50 13.60  ? 169 ARG   A CA   1 
ATOM   962  C  C    . ARG   A 1 65  ? -2.240  68.674 75.663 1.00 13.81  ? 169 ARG   A C    1 
ATOM   963  O  O    . ARG   A 1 65  ? -3.091  68.264 76.446 1.00 14.36  ? 169 ARG   A O    1 
ATOM   964  C  CB   A ARG   A 1 65  ? -0.609  69.828 77.146 0.50 14.71  ? 169 ARG   A CB   1 
ATOM   965  C  CB   B ARG   A 1 65  ? -0.602  69.850 77.134 0.50 14.37  ? 169 ARG   A CB   1 
ATOM   966  C  CG   A ARG   A 1 65  ? -0.160  71.168 77.714 0.50 16.24  ? 169 ARG   A CG   1 
ATOM   967  C  CG   B ARG   A 1 65  ? -0.076  71.207 77.576 0.50 15.57  ? 169 ARG   A CG   1 
ATOM   968  C  CD   A ARG   A 1 65  ? 0.939   71.093 78.748 0.50 18.70  ? 169 ARG   A CD   1 
ATOM   969  C  CD   B ARG   A 1 65  ? 1.099   71.129 78.506 0.50 17.85  ? 169 ARG   A CD   1 
ATOM   970  N  NE   A ARG   A 1 65  ? 0.622   70.329 79.938 0.50 18.71  ? 169 ARG   A NE   1 
ATOM   971  N  NE   B ARG   A 1 65  ? 1.329   72.356 79.258 0.50 18.54  ? 169 ARG   A NE   1 
ATOM   972  C  CZ   A ARG   A 1 65  ? 1.508   69.987 80.870 0.50 21.10  ? 169 ARG   A CZ   1 
ATOM   973  C  CZ   B ARG   A 1 65  ? 2.003   73.408 78.829 0.50 18.57  ? 169 ARG   A CZ   1 
ATOM   974  N  NH1  A ARG   A 1 65  ? 2.755   70.408 80.764 0.50 24.91  ? 169 ARG   A NH1  1 
ATOM   975  N  NH1  B ARG   A 1 65  ? 2.176   74.434 79.645 0.50 17.00  ? 169 ARG   A NH1  1 
ATOM   976  N  NH2  A ARG   A 1 65  ? 1.148   69.282 81.922 0.50 22.77  ? 169 ARG   A NH2  1 
ATOM   977  N  NH2  B ARG   A 1 65  ? 2.495   73.440 77.600 0.50 16.39  ? 169 ARG   A NH2  1 
ATOM   978  H  H    . ARG   A 1 65  ? -3.007  71.001 77.046 1.00 14.34  ? 169 ARG   A H    1 
ATOM   979  H  HA   . ARG   A 1 65  ? -0.985  70.224 75.142 1.00 13.97  ? 169 ARG   A HA   1 
ATOM   980  H  HB2  A ARG   A 1 65  ? -1.088  69.330 77.842 0.50 14.81  ? 169 ARG   A HB2  1 
ATOM   981  H  HB2  B ARG   A 1 65  ? -1.096  69.437 77.872 0.50 14.46  ? 169 ARG   A HB2  1 
ATOM   982  H  HB3  A ARG   A 1 65  ? 0.181   69.308 76.889 0.50 14.81  ? 169 ARG   A HB3  1 
ATOM   983  H  HB3  B ARG   A 1 65  ? 0.153   69.269 76.903 0.50 14.46  ? 169 ARG   A HB3  1 
ATOM   984  H  HG2  A ARG   A 1 65  ? 0.148   71.734 76.976 0.50 16.40  ? 169 ARG   A HG2  1 
ATOM   985  H  HG2  B ARG   A 1 65  ? 0.183   71.721 76.785 0.50 15.78  ? 169 ARG   A HG2  1 
ATOM   986  H  HG3  A ARG   A 1 65  ? -0.934  71.613 78.120 0.50 16.40  ? 169 ARG   A HG3  1 
ATOM   987  H  HG3  B ARG   A 1 65  ? -0.798  71.698 78.025 0.50 15.78  ? 169 ARG   A HG3  1 
ATOM   988  H  HD2  A ARG   A 1 65  ? 1.732   70.699 78.327 0.50 18.12  ? 169 ARG   A HD2  1 
ATOM   989  H  HD2  B ARG   A 1 65  ? 0.956   70.392 79.137 0.50 17.44  ? 169 ARG   A HD2  1 
ATOM   990  H  HD3  A ARG   A 1 65  ? 1.175   72.006 79.017 0.50 18.10  ? 169 ARG   A HD3  1 
ATOM   991  H  HD3  B ARG   A 1 65  ? 1.903   70.921 77.984 0.50 17.46  ? 169 ARG   A HD3  1 
ATOM   992  H  HE   A ARG   A 1 65  ? -0.194  70.035 80.029 0.50 19.47  ? 169 ARG   A HE   1 
ATOM   993  H  HE   B ARG   A 1 65  ? 1.046   72.377 80.080 0.50 18.30  ? 169 ARG   A HE   1 
ATOM   994  H  HH11 A ARG   A 1 65  ? 2.995   70.887 80.068 0.50 23.51  ? 169 ARG   A HH11 1 
ATOM   995  H  HH11 B ARG   A 1 65  ? 1.836   74.410 80.455 0.50 17.47  ? 169 ARG   A HH11 1 
ATOM   996  H  HH12 A ARG   A 1 65  ? 3.339   70.201 81.381 0.50 23.46  ? 169 ARG   A HH12 1 
ATOM   997  H  HH12 B ARG   A 1 65  ? 2.601   75.150 79.363 0.50 17.47  ? 169 ARG   A HH12 1 
ATOM   998  H  HH21 A ARG   A 1 65  ? 0.314   69.007 82.001 0.50 22.17  ? 169 ARG   A HH21 1 
ATOM   999  H  HH21 B ARG   A 1 65  ? 2.385   72.748 77.066 0.50 17.09  ? 169 ARG   A HH21 1 
ATOM   1000 H  HH22 A ARG   A 1 65  ? 1.743   69.080 82.540 0.50 22.17  ? 169 ARG   A HH22 1 
ATOM   1001 H  HH22 B ARG   A 1 65  ? 2.933   74.152 77.321 0.50 17.09  ? 169 ARG   A HH22 1 
ATOM   1002 N  N    . VAL   A 1 66  ? -1.897  68.054 74.519 1.00 12.32  ? 170 VAL   A N    1 
ATOM   1003 C  CA   . VAL   A 1 66  ? -2.622  66.873 74.087 1.00 13.88  ? 170 VAL   A CA   1 
ATOM   1004 C  C    . VAL   A 1 66  ? -1.644  65.940 73.390 1.00 13.11  ? 170 VAL   A C    1 
ATOM   1005 O  O    . VAL   A 1 66  ? -0.731  66.389 72.711 1.00 16.23  ? 170 VAL   A O    1 
ATOM   1006 C  CB   . VAL   A 1 66  ? -3.805  67.226 73.175 1.00 14.55  ? 170 VAL   A CB   1 
ATOM   1007 C  CG1  . VAL   A 1 66  ? -3.385  67.976 71.959 1.00 16.21  ? 170 VAL   A CG1  1 
ATOM   1008 C  CG2  . VAL   A 1 66  ? -4.635  66.015 72.810 1.00 18.08  ? 170 VAL   A CG2  1 
ATOM   1009 H  H    . VAL   A 1 66  ? -1.133  68.399 73.954 1.00 13.02  ? 170 VAL   A H    1 
ATOM   1010 H  HA   . VAL   A 1 66  ? -2.968  66.418 74.876 1.00 13.55  ? 170 VAL   A HA   1 
ATOM   1011 H  HB   . VAL   A 1 66  ? -4.391  67.829 73.696 1.00 15.34  ? 170 VAL   A HB   1 
ATOM   1012 H  HG11 . VAL   A 1 66  ? -2.872  68.761 72.219 1.00 15.67  ? 170 VAL   A HG11 1 
ATOM   1013 H  HG12 . VAL   A 1 66  ? -4.174  68.256 71.464 1.00 15.69  ? 170 VAL   A HG12 1 
ATOM   1014 H  HG13 . VAL   A 1 66  ? -2.838  67.404 71.394 1.00 15.68  ? 170 VAL   A HG13 1 
ATOM   1015 H  HG21 . VAL   A 1 66  ? -4.209  65.537 72.078 1.00 16.90  ? 170 VAL   A HG21 1 
ATOM   1016 H  HG22 . VAL   A 1 66  ? -5.523  66.301 72.536 1.00 16.91  ? 170 VAL   A HG22 1 
ATOM   1017 H  HG23 . VAL   A 1 66  ? -4.708  65.427 73.582 1.00 16.90  ? 170 VAL   A HG23 1 
ATOM   1018 N  N    . ILE   A 1 67  ? -1.895  64.636 73.478 1.00 13.59  ? 171 ILE   A N    1 
ATOM   1019 C  CA   . ILE   A 1 67  ? -1.154  63.704 72.644 1.00 14.32  ? 171 ILE   A CA   1 
ATOM   1020 C  C    . ILE   A 1 67  ? -2.058  63.255 71.508 1.00 13.17  ? 171 ILE   A C    1 
ATOM   1021 O  O    . ILE   A 1 67  ? -3.152  62.758 71.787 1.00 15.53  ? 171 ILE   A O    1 
ATOM   1022 C  CB   . ILE   A 1 67  ? -0.647  62.536 73.501 1.00 17.06  ? 171 ILE   A CB   1 
ATOM   1023 C  CG1  . ILE   A 1 67  ? 0.294   63.138 74.560 1.00 19.62  ? 171 ILE   A CG1  1 
ATOM   1024 C  CG2  . ILE   A 1 67  ? 0.073   61.488 72.641 1.00 17.34  ? 171 ILE   A CG2  1 
ATOM   1025 C  CD1  . ILE   A 1 67  ? 0.987   62.219 75.434 1.00 22.15  ? 171 ILE   A CD1  1 
ATOM   1026 H  H    . ILE   A 1 67  ? -2.594  64.287 74.117 1.00 13.64  ? 171 ILE   A H    1 
ATOM   1027 H  HA   . ILE   A 1 67  ? -0.383  64.163 72.267 1.00 14.42  ? 171 ILE   A HA   1 
ATOM   1028 H  HB   . ILE   A 1 67  ? -1.416  62.113 73.956 1.00 17.00  ? 171 ILE   A HB   1 
ATOM   1029 H  HG12 . ILE   A 1 67  ? 0.968   63.678 74.096 1.00 19.48  ? 171 ILE   A HG12 1 
ATOM   1030 H  HG13 . ILE   A 1 67  ? -0.230  63.748 75.122 1.00 19.51  ? 171 ILE   A HG13 1 
ATOM   1031 H  HG21 . ILE   A 1 67  ? -0.552  61.099 72.005 1.00 17.25  ? 171 ILE   A HG21 1 
ATOM   1032 H  HG22 . ILE   A 1 67  ? 0.427   60.783 73.212 1.00 17.27  ? 171 ILE   A HG22 1 
ATOM   1033 H  HG23 . ILE   A 1 67  ? 0.805   61.909 72.158 1.00 17.26  ? 171 ILE   A HG23 1 
ATOM   1034 H  HD11 . ILE   A 1 67  ? 0.357   61.569 75.788 1.00 21.31  ? 171 ILE   A HD11 1 
ATOM   1035 H  HD12 . ILE   A 1 67  ? 1.391   62.712 76.169 1.00 21.31  ? 171 ILE   A HD12 1 
ATOM   1036 H  HD13 . ILE   A 1 67  ? 1.684   61.757 74.936 1.00 21.31  ? 171 ILE   A HD13 1 
ATOM   1037 N  N    . VAL   A 1 68  ? -1.596  63.430 70.268 1.00 12.59  ? 172 VAL   A N    1 
ATOM   1038 C  CA   . VAL   A 1 68  ? -2.366  62.985 69.117 1.00 12.22  ? 172 VAL   A CA   1 
ATOM   1039 C  C    . VAL   A 1 68  ? -1.666  61.773 68.507 1.00 12.62  ? 172 VAL   A C    1 
ATOM   1040 O  O    . VAL   A 1 68  ? -0.455  61.843 68.273 1.00 13.27  ? 172 VAL   A O    1 
ATOM   1041 C  CB   . VAL   A 1 68  ? -2.502  64.099 68.094 1.00 13.00  ? 172 VAL   A CB   1 
ATOM   1042 C  CG1  . VAL   A 1 68  ? -3.246  63.693 66.855 1.00 13.84  ? 172 VAL   A CG1  1 
ATOM   1043 C  CG2  . VAL   A 1 68  ? -3.129  65.345 68.742 1.00 14.81  ? 172 VAL   A CG2  1 
ATOM   1044 H  H    . VAL   A 1 68  ? -0.704  63.878 70.119 1.00 12.64  ? 172 VAL   A H    1 
ATOM   1045 H  HA   . VAL   A 1 68  ? -3.255  62.722 69.413 1.00 12.52  ? 172 VAL   A HA   1 
ATOM   1046 H  HB   . VAL   A 1 68  ? -1.585  64.345 67.815 1.00 13.33  ? 172 VAL   A HB   1 
ATOM   1047 H  HG11 . VAL   A 1 68  ? -2.661  63.170 66.280 1.00 13.57  ? 172 VAL   A HG11 1 
ATOM   1048 H  HG12 . VAL   A 1 68  ? -3.541  64.487 66.376 1.00 13.58  ? 172 VAL   A HG12 1 
ATOM   1049 H  HG13 . VAL   A 1 68  ? -4.020  63.158 67.102 1.00 13.57  ? 172 VAL   A HG13 1 
ATOM   1050 H  HG21 . VAL   A 1 68  ? -3.927  65.088 69.235 1.00 14.23  ? 172 VAL   A HG21 1 
ATOM   1051 H  HG22 . VAL   A 1 68  ? -3.369  65.987 68.052 1.00 14.22  ? 172 VAL   A HG22 1 
ATOM   1052 H  HG23 . VAL   A 1 68  ? -2.490  65.752 69.352 1.00 14.22  ? 172 VAL   A HG23 1 
ATOM   1053 N  N    . CYS   A 1 69  ? -2.448  60.707 68.287 1.00 12.58  ? 173 CYS   A N    1 
ATOM   1054 C  CA   . CYS   A 1 69  ? -1.942  59.506 67.615 1.00 12.14  ? 173 CYS   A CA   1 
ATOM   1055 C  C    . CYS   A 1 69  ? -2.741  59.267 66.335 1.00 13.05  ? 173 CYS   A C    1 
ATOM   1056 O  O    . CYS   A 1 69  ? -3.952  59.563 66.267 1.00 13.88  ? 173 CYS   A O    1 
ATOM   1057 C  CB   . CYS   A 1 69  ? -2.016  58.287 68.516 1.00 12.60  ? 173 CYS   A CB   1 
ATOM   1058 S  SG   . CYS   A 1 69  ? -1.002  58.451 69.997 1.00 14.45  ? 173 CYS   A SG   1 
ATOM   1059 H  H    . CYS   A 1 69  ? -3.412  60.724 68.589 1.00 12.48  ? 173 CYS   A H    1 
ATOM   1060 H  HA   . CYS   A 1 69  ? -1.004  59.661 67.377 1.00 12.47  ? 173 CYS   A HA   1 
ATOM   1061 H  HB2  . CYS   A 1 69  ? -2.945  58.143 68.787 1.00 12.90  ? 173 CYS   A HB2  1 
ATOM   1062 H  HB3  . CYS   A 1 69  ? -1.719  57.499 68.019 1.00 12.90  ? 173 CYS   A HB3  1 
ATOM   1063 H  HG   . CYS   A 1 69  ? -1.512  57.654 70.957 0.00 17.80  ? 173 CYS   A HG   1 
ATOM   1064 N  N    . ASN   A 1 70  ? -2.056  58.801 65.291 1.00 11.04  ? 174 ASN   A N    1 
ATOM   1065 C  CA   . ASN   A 1 70  ? -2.712  58.564 64.018 1.00 11.03  ? 174 ASN   A CA   1 
ATOM   1066 C  C    . ASN   A 1 70  ? -1.818  57.653 63.171 1.00 11.71  ? 174 ASN   A C    1 
ATOM   1067 O  O    . ASN   A 1 70  ? -0.706  57.293 63.564 1.00 11.28  ? 174 ASN   A O    1 
ATOM   1068 C  CB   . ASN   A 1 70  ? -3.009  59.927 63.373 1.00 12.38  ? 174 ASN   A CB   1 
ATOM   1069 C  CG   . ASN   A 1 70  ? -4.137  59.943 62.372 1.00 12.82  ? 174 ASN   A CG   1 
ATOM   1070 O  OD1  . ASN   A 1 70  ? -4.685  58.886 62.047 1.00 12.43  ? 174 ASN   A OD1  1 
ATOM   1071 N  ND2  . ASN   A 1 70  ? -4.557  61.144 61.992 1.00 13.13  ? 174 ASN   A ND2  1 
ATOM   1072 H  H    . ASN   A 1 70  ? -1.068  58.609 65.381 1.00 11.49  ? 174 ASN   A H    1 
ATOM   1073 H  HA   . ASN   A 1 70  ? -3.569  58.106 64.184 1.00 11.44  ? 174 ASN   A HA   1 
ATOM   1074 H  HB2  . ASN   A 1 70  ? -3.216  60.570 64.081 1.00 12.15  ? 174 ASN   A HB2  1 
ATOM   1075 H  HB3  . ASN   A 1 70  ? -2.195  60.237 62.925 1.00 12.15  ? 174 ASN   A HB3  1 
ATOM   1076 H  HD21 . ASN   A 1 70  ? -5.117  61.223 61.314 1.00 13.04  ? 174 ASN   A HD21 1 
ATOM   1077 H  HD22 . ASN   A 1 70  ? -4.274  61.867 62.415 1.00 13.04  ? 174 ASN   A HD22 1 
ATOM   1078 N  N    . THR   A 1 71  ? -2.383  57.343 62.007 1.00 10.59  ? 175 THR   A N    1 
ATOM   1079 C  CA   . THR   A 1 71  ? -1.743  56.550 60.954 1.00 10.83  ? 175 THR   A CA   1 
ATOM   1080 C  C    . THR   A 1 71  ? -1.805  57.325 59.642 1.00 11.21  ? 175 THR   A C    1 
ATOM   1081 O  O    . THR   A 1 71  ? -2.814  58.007 59.385 1.00 11.57  ? 175 THR   A O    1 
ATOM   1082 C  CB   . THR   A 1 71  ? -2.465  55.194 60.834 1.00 11.02  ? 175 THR   A CB   1 
ATOM   1083 O  OG1  . THR   A 1 71  ? -2.236  54.442 62.014 1.00 11.39  ? 175 THR   A OG1  1 
ATOM   1084 C  CG2  . THR   A 1 71  ? -2.052  54.386 59.634 1.00 11.38  ? 175 THR   A CG2  1 
ATOM   1085 H  H    . THR   A 1 71  ? -3.328  57.653 61.844 1.00 10.91  ? 175 THR   A H    1 
ATOM   1086 H  HA   . THR   A 1 71  ? -0.803  56.397 61.199 1.00 10.89  ? 175 THR   A HA   1 
ATOM   1087 H  HB   . THR   A 1 71  ? -3.433  55.375 60.765 1.00 11.12  ? 175 THR   A HB   1 
ATOM   1088 H  HG1  . THR   A 1 71  ? -2.180  53.474 61.858 0.00 17.80  ? 175 THR   A HG1  1 
ATOM   1089 H  HG21 . THR   A 1 71  ? -2.095  54.937 58.834 1.00 11.27  ? 175 THR   A HG21 1 
ATOM   1090 H  HG22 . THR   A 1 71  ? -2.652  53.625 59.533 1.00 11.27  ? 175 THR   A HG22 1 
ATOM   1091 H  HG23 . THR   A 1 71  ? -1.142  54.063 59.756 1.00 11.27  ? 175 THR   A HG23 1 
ATOM   1092 N  N    . LYS   A 1 72  ? -0.728  57.274 58.832 1.00 10.81  ? 176 LYS   A N    1 
ATOM   1093 C  CA   . LYS   A 1 72  ? -0.686  57.937 57.525 1.00 12.23  ? 176 LYS   A CA   1 
ATOM   1094 C  C    . LYS   A 1 72  ? -0.580  56.857 56.459 1.00 11.66  ? 176 LYS   A C    1 
ATOM   1095 O  O    . LYS   A 1 72  ? 0.363   56.075 56.459 1.00 11.56  ? 176 LYS   A O    1 
ATOM   1096 C  CB   . LYS   A 1 72  ? 0.477   58.930 57.392 1.00 13.01  ? 176 LYS   A CB   1 
ATOM   1097 C  CG   . LYS   A 1 72  ? 0.358   59.834 56.167 1.00 16.56  ? 176 LYS   A CG   1 
ATOM   1098 C  CD   . LYS   A 1 72  ? 1.331   60.959 56.163 1.00 21.63  ? 176 LYS   A CD   1 
ATOM   1099 C  CE   . LYS   A 1 72  ? 2.701   60.537 55.727 1.00 27.20  ? 176 LYS   A CE   1 
ATOM   1100 N  NZ   . LYS   A 1 72  ? 3.512   61.763 55.461 1.00 30.61  ? 176 LYS   A NZ   1 
ATOM   1101 H  H    . LYS   A 1 72  ? 0.084   56.757 59.134 1.00 11.22  ? 176 LYS   A H    1 
ATOM   1102 H  HA   . LYS   A 1 72  ? -1.529  58.425 57.397 1.00 11.99  ? 176 LYS   A HA   1 
ATOM   1103 H  HB2  . LYS   A 1 72  ? 0.509   59.488 58.196 1.00 13.59  ? 176 LYS   A HB2  1 
ATOM   1104 H  HB3  . LYS   A 1 72  ? 1.317   58.429 57.336 1.00 13.56  ? 176 LYS   A HB3  1 
ATOM   1105 H  HG2  . LYS   A 1 72  ? 0.491   59.293 55.361 1.00 16.69  ? 176 LYS   A HG2  1 
ATOM   1106 H  HG3  . LYS   A 1 72  ? -0.550  60.201 56.135 1.00 16.66  ? 176 LYS   A HG3  1 
ATOM   1107 H  HD2  . LYS   A 1 72  ? 1.006   61.661 55.559 1.00 21.44  ? 176 LYS   A HD2  1 
ATOM   1108 H  HD3  . LYS   A 1 72  ? 1.388   61.338 57.065 1.00 21.37  ? 176 LYS   A HD3  1 
ATOM   1109 H  HE2  . LYS   A 1 72  ? 3.128   60.007 56.426 1.00 26.49  ? 176 LYS   A HE2  1 
ATOM   1110 H  HE3  . LYS   A 1 72  ? 2.646   59.999 54.915 1.00 26.46  ? 176 LYS   A HE3  1 
ATOM   1111 H  HZ1  . LYS   A 1 72  ? 3.145   62.233 54.777 1.00 29.49  ? 176 LYS   A HZ1  1 
ATOM   1112 H  HZ2  . LYS   A 1 72  ? 4.359   61.528 55.237 1.00 29.51  ? 176 LYS   A HZ2  1 
ATOM   1113 H  HZ3  . LYS   A 1 72  ? 3.535   62.285 56.202 1.00 29.49  ? 176 LYS   A HZ3  1 
ATOM   1114 N  N    . LEU   A 1 73  ? -1.569  56.774 55.555 1.00 12.62  ? 177 LEU   A N    1 
ATOM   1115 C  CA   . LEU   A 1 73  ? -1.589  55.804 54.469 1.00 13.95  ? 177 LEU   A CA   1 
ATOM   1116 C  C    . LEU   A 1 73  ? -1.721  56.523 53.133 1.00 13.83  ? 177 LEU   A C    1 
ATOM   1117 O  O    . LEU   A 1 73  ? -2.605  57.370 52.980 1.00 14.89  ? 177 LEU   A O    1 
ATOM   1118 C  CB   . LEU   A 1 73  ? -2.806  54.893 54.670 1.00 13.57  ? 177 LEU   A CB   1 
ATOM   1119 C  CG   . LEU   A 1 73  ? -2.904  54.064 55.940 1.00 14.47  ? 177 LEU   A CG   1 
ATOM   1120 C  CD1  . LEU   A 1 73  ? -4.220  53.302 55.981 1.00 16.21  ? 177 LEU   A CD1  1 
ATOM   1121 C  CD2  . LEU   A 1 73  ? -1.748  53.102 56.040 1.00 15.08  ? 177 LEU   A CD2  1 
ATOM   1122 H  H    . LEU   A 1 73  ? -2.343  57.419 55.628 1.00 12.68  ? 177 LEU   A H    1 
ATOM   1123 H  HA   . LEU   A 1 73  ? -0.762  55.277 54.484 1.00 13.59  ? 177 LEU   A HA   1 
ATOM   1124 H  HB2  . LEU   A 1 73  ? -3.606  55.453 54.619 1.00 13.87  ? 177 LEU   A HB2  1 
ATOM   1125 H  HB3  . LEU   A 1 73  ? -2.842  54.278 53.911 1.00 13.86  ? 177 LEU   A HB3  1 
ATOM   1126 H  HG   . LEU   A 1 73  ? -2.872  54.675 56.716 1.00 14.71  ? 177 LEU   A HG   1 
ATOM   1127 H  HD11 . LEU   A 1 73  ? -4.960  53.930 55.915 1.00 15.65  ? 177 LEU   A HD11 1 
ATOM   1128 H  HD12 . LEU   A 1 73  ? -4.285  52.810 56.818 1.00 15.65  ? 177 LEU   A HD12 1 
ATOM   1129 H  HD13 . LEU   A 1 73  ? -4.257  52.678 55.235 1.00 15.65  ? 177 LEU   A HD13 1 
ATOM   1130 H  HD21 . LEU   A 1 73  ? -1.662  52.611 55.205 1.00 14.89  ? 177 LEU   A HD21 1 
ATOM   1131 H  HD22 . LEU   A 1 73  ? -1.907  52.477 56.768 1.00 14.89  ? 177 LEU   A HD22 1 
ATOM   1132 H  HD23 . LEU   A 1 73  ? -0.928  53.596 56.211 1.00 14.89  ? 177 LEU   A HD23 1 
ATOM   1133 N  N    . ASP   A 1 74  ? -0.814  56.220 52.191 1.00 15.44  ? 178 ASP   A N    1 
ATOM   1134 C  CA   . ASP   A 1 74  ? -0.840  56.873 50.886 1.00 16.96  ? 178 ASP   A CA   1 
ATOM   1135 C  C    . ASP   A 1 74  ? -0.843  58.401 51.016 1.00 16.34  ? 178 ASP   A C    1 
ATOM   1136 O  O    . ASP   A 1 74  ? -1.564  59.122 50.308 1.00 18.17  ? 178 ASP   A O    1 
ATOM   1137 C  CB   . ASP   A 1 74  ? -1.988  56.320 50.037 1.00 18.97  ? 178 ASP   A CB   1 
ATOM   1138 C  CG   . ASP   A 1 74  ? -1.787  54.874 49.639 1.00 23.11  ? 178 ASP   A CG   1 
ATOM   1139 O  OD1  . ASP   A 1 74  ? -0.619  54.411 49.662 1.00 26.46  ? 178 ASP   A OD1  1 
ATOM   1140 O  OD2  . ASP   A 1 74  ? -2.783  54.213 49.266 1.00 31.70  ? 178 ASP   A OD2  1 
ATOM   1141 H  H    . ASP   A 1 74  ? -0.102  55.530 52.380 1.00 15.36  ? 178 ASP   A H    1 
ATOM   1142 H  HA   . ASP   A 1 74  ? -0.004  56.626 50.426 1.00 16.92  ? 178 ASP   A HA   1 
ATOM   1143 H  HB2  . ASP   A 1 74  ? -2.827  56.392 50.535 1.00 19.33  ? 178 ASP   A HB2  1 
ATOM   1144 H  HB3  . ASP   A 1 74  ? -2.070  56.854 49.220 1.00 19.35  ? 178 ASP   A HB3  1 
ATOM   1145 N  N    . ASN   A 1 75  ? -0.050  58.912 51.964 1.00 16.41  ? 179 ASN   A N    1 
ATOM   1146 C  CA   . ASN   A 1 75  ? 0.083   60.322 52.229 1.00 19.00  ? 179 ASN   A CA   1 
ATOM   1147 C  C    . ASN   A 1 75  ? -1.137  60.958 52.873 1.00 20.00  ? 179 ASN   A C    1 
ATOM   1148 O  O    . ASN   A 1 75  ? -1.144  62.166 53.031 1.00 27.03  ? 179 ASN   A O    1 
ATOM   1149 C  CB   . ASN   A 1 75  ? 0.514   61.044 50.951 1.00 22.31  ? 179 ASN   A CB   1 
ATOM   1150 C  CG   . ASN   A 1 75  ? 1.858   61.705 51.102 1.00 23.58  ? 179 ASN   A CG   1 
ATOM   1151 O  OD1  . ASN   A 1 75  ? 2.742   61.215 51.831 1.00 22.50  ? 179 ASN   A OD1  1 
ATOM   1152 N  ND2  . ASN   A 1 75  ? 2.041   62.792 50.358 1.00 25.61  ? 179 ASN   A ND2  1 
ATOM   1153 H  H    . ASN   A 1 75  ? 0.499   58.275 52.522 1.00 16.96  ? 179 ASN   A H    1 
ATOM   1154 H  HA   . ASN   A 1 75  ? 0.824   60.418 52.870 1.00 19.25  ? 179 ASN   A HA   1 
ATOM   1155 H  HB2  . ASN   A 1 75  ? 0.561   60.400 50.216 1.00 21.73  ? 179 ASN   A HB2  1 
ATOM   1156 H  HB3  . ASN   A 1 75  ? -0.155  61.720 50.721 1.00 21.78  ? 179 ASN   A HB3  1 
ATOM   1157 H  HD21 . ASN   A 1 75  ? 2.701   63.349 50.545 1.00 24.96  ? 179 ASN   A HD21 1 
ATOM   1158 H  HD22 . ASN   A 1 75  ? 1.504   62.958 49.674 1.00 24.95  ? 179 ASN   A HD22 1 
ATOM   1159 N  N    . ASN   A 1 76  ? -2.131  60.182 53.315 1.00 16.95  ? 180 ASN   A N    1 
ATOM   1160 C  CA   . ASN   A 1 76  ? -3.301  60.709 54.003 1.00 19.47  ? 180 ASN   A CA   1 
ATOM   1161 C  C    . ASN   A 1 76  ? -3.343  60.301 55.482 1.00 17.21  ? 180 ASN   A C    1 
ATOM   1162 O  O    . ASN   A 1 76  ? -3.357  59.118 55.811 1.00 15.35  ? 180 ASN   A O    1 
ATOM   1163 C  CB   . ASN   A 1 76  ? -4.610  60.229 53.383 1.00 22.18  ? 180 ASN   A CB   1 
ATOM   1164 C  CG   . ASN   A 1 76  ? -4.704  60.542 51.911 1.00 28.89  ? 180 ASN   A CG   1 
ATOM   1165 O  OD1  . ASN   A 1 76  ? -4.309  61.628 51.499 1.00 37.01  ? 180 ASN   A OD1  1 
ATOM   1166 N  ND2  . ASN   A 1 76  ? -5.162  59.568 51.131 1.00 31.71  ? 180 ASN   A ND2  1 
ATOM   1167 H  H    . ASN   A 1 76  ? -2.070  59.188 53.180 1.00 18.19  ? 180 ASN   A H    1 
ATOM   1168 H  HA   . ASN   A 1 76  ? -3.285  61.692 53.945 1.00 19.02  ? 180 ASN   A HA   1 
ATOM   1169 H  HB2  . ASN   A 1 76  ? -4.686  59.261 53.510 1.00 22.90  ? 180 ASN   A HB2  1 
ATOM   1170 H  HB3  . ASN   A 1 76  ? -5.358  60.656 53.849 1.00 22.89  ? 180 ASN   A HB3  1 
ATOM   1171 H  HD21 . ASN   A 1 76  ? -4.872  59.495 50.299 1.00 30.80  ? 180 ASN   A HD21 1 
ATOM   1172 H  HD22 . ASN   A 1 76  ? -5.758  58.994 51.442 1.00 30.76  ? 180 ASN   A HD22 1 
ATOM   1173 N  N    . TRP   A 1 77  ? -3.549  61.307 56.340 1.00 16.41  ? 181 TRP   A N    1 
ATOM   1174 C  CA   . TRP   A 1 77  ? -3.809  61.048 57.749 1.00 15.82  ? 181 TRP   A CA   1 
ATOM   1175 C  C    . TRP   A 1 77  ? -5.226  60.551 57.972 1.00 17.28  ? 181 TRP   A C    1 
ATOM   1176 O  O    . TRP   A 1 77  ? -6.193  61.000 57.319 1.00 18.12  ? 181 TRP   A O    1 
ATOM   1177 C  CB   . TRP   A 1 77  ? -3.551  62.300 58.576 1.00 14.04  ? 181 TRP   A CB   1 
ATOM   1178 C  CG   . TRP   A 1 77  ? -2.123  62.652 58.651 1.00 14.32  ? 181 TRP   A CG   1 
ATOM   1179 C  CD1  . TRP   A 1 77  ? -1.494  63.678 58.015 1.00 15.75  ? 181 TRP   A CD1  1 
ATOM   1180 C  CD2  . TRP   A 1 77  ? -1.095  61.989 59.424 1.00 14.09  ? 181 TRP   A CD2  1 
ATOM   1181 N  NE1  . TRP   A 1 77  ? -0.169  63.711 58.329 1.00 17.38  ? 181 TRP   A NE1  1 
ATOM   1182 C  CE2  . TRP   A 1 77  ? 0.116   62.650 59.158 1.00 14.81  ? 181 TRP   A CE2  1 
ATOM   1183 C  CE3  . TRP   A 1 77  ? -1.075  60.836 60.229 1.00 13.51  ? 181 TRP   A CE3  1 
ATOM   1184 C  CZ2  . TRP   A 1 77  ? 1.308   62.282 59.773 1.00 14.26  ? 181 TRP   A CZ2  1 
ATOM   1185 C  CZ3  . TRP   A 1 77  ? 0.120   60.451 60.814 1.00 13.44  ? 181 TRP   A CZ3  1 
ATOM   1186 C  CH2  . TRP   A 1 77  ? 1.297   61.157 60.561 1.00 13.87  ? 181 TRP   A CH2  1 
ATOM   1187 H  H    . TRP   A 1 77  ? -3.525  62.262 56.013 1.00 16.46  ? 181 TRP   A H    1 
ATOM   1188 H  HA   . TRP   A 1 77  ? -3.177  60.353 58.050 1.00 15.83  ? 181 TRP   A HA   1 
ATOM   1189 H  HB2  . TRP   A 1 77  ? -4.048  63.045 58.178 1.00 14.51  ? 181 TRP   A HB2  1 
ATOM   1190 H  HB3  . TRP   A 1 77  ? -3.897  62.155 59.480 1.00 14.51  ? 181 TRP   A HB3  1 
ATOM   1191 H  HD1  . TRP   A 1 77  ? -1.923  64.313 57.462 1.00 15.57  ? 181 TRP   A HD1  1 
ATOM   1192 H  HE1  . TRP   A 1 77  ? 0.405   64.295 58.033 1.00 16.11  ? 181 TRP   A HE1  1 
ATOM   1193 H  HE3  . TRP   A 1 77  ? -1.872  60.363 60.407 1.00 13.76  ? 181 TRP   A HE3  1 
ATOM   1194 H  HZ2  . TRP   A 1 77  ? 2.108   62.743 59.591 1.00 14.38  ? 181 TRP   A HZ2  1 
ATOM   1195 H  HZ3  . TRP   A 1 77  ? 0.141   59.698 61.382 1.00 13.70  ? 181 TRP   A HZ3  1 
ATOM   1196 H  HH2  . TRP   A 1 77  ? 2.097   60.878 60.972 1.00 13.96  ? 181 TRP   A HH2  1 
ATOM   1197 N  N    . GLY   A 1 78  ? -5.354  59.595 58.871 1.00 14.37  ? 182 GLY   A N    1 
ATOM   1198 C  CA   . GLY   A 1 78  ? -6.608  58.982 59.230 1.00 14.21  ? 182 GLY   A CA   1 
ATOM   1199 C  C    . GLY   A 1 78  ? -7.311  59.643 60.406 1.00 13.22  ? 182 GLY   A C    1 
ATOM   1200 O  O    . GLY   A 1 78  ? -7.102  60.833 60.655 1.00 15.23  ? 182 GLY   A O    1 
ATOM   1201 H  H    . GLY   A 1 78  ? -4.522  59.271 59.343 1.00 14.97  ? 182 GLY   A H    1 
ATOM   1202 H  HA2  . GLY   A 1 78  ? -7.209  59.001 58.443 1.00 14.02  ? 182 GLY   A HA2  1 
ATOM   1203 H  HA3  . GLY   A 1 78  ? -6.438  58.031 59.449 1.00 14.01  ? 182 GLY   A HA3  1 
ATOM   1204 N  N    . ARG   A 1 79  ? -8.099  58.850 61.100 1.00 14.36  ? 183 ARG   A N    1 
ATOM   1205 C  CA   . ARG   A 1 79  ? -8.793  59.297 62.306 1.00 16.68  ? 183 ARG   A CA   1 
ATOM   1206 C  C    . ARG   A 1 79  ? -7.824  59.440 63.489 1.00 16.20  ? 183 ARG   A C    1 
ATOM   1207 O  O    . ARG   A 1 79  ? -7.155  58.493 63.880 1.00 16.43  ? 183 ARG   A O    1 
ATOM   1208 C  CB   . ARG   A 1 79  ? -9.874  58.270 62.644 1.00 20.17  ? 183 ARG   A CB   1 
ATOM   1209 C  CG   . ARG   A 1 79  ? -10.635 58.518 63.935 1.00 25.32  ? 183 ARG   A CG   1 
ATOM   1210 C  CD   . ARG   A 1 79  ? -11.450 57.268 64.323 1.00 30.68  ? 183 ARG   A CD   1 
ATOM   1211 N  NE   . ARG   A 1 79  ? -10.669 56.025 64.456 1.00 32.80  ? 183 ARG   A NE   1 
ATOM   1212 C  CZ   . ARG   A 1 79  ? -10.071 55.601 65.592 1.00 35.46  ? 183 ARG   A CZ   1 
ATOM   1213 N  NH1  . ARG   A 1 79  ? -9.414  54.445 65.626 1.00 33.47  ? 183 ARG   A NH1  1 
ATOM   1214 N  NH2  . ARG   A 1 79  ? -10.165 56.320 66.698 1.00 38.34  ? 183 ARG   A NH2  1 
ATOM   1215 H  H    . ARG   A 1 79  ? -8.231  57.897 60.789 1.00 14.60  ? 183 ARG   A H    1 
ATOM   1216 H  HA   . ARG   A 1 79  ? -9.217  60.167 62.124 1.00 16.70  ? 183 ARG   A HA   1 
ATOM   1217 N  N    . GLU   A 1 80  ? -7.805  60.630 64.091 1.00 14.74  ? 184 GLU   A N    1 
ATOM   1218 C  CA   . GLU   A 1 80  ? -6.996  60.909 65.250 1.00 14.29  ? 184 GLU   A CA   1 
ATOM   1219 C  C    . GLU   A 1 80  ? -7.537  60.196 66.463 1.00 15.31  ? 184 GLU   A C    1 
ATOM   1220 O  O    . GLU   A 1 80  ? -8.742  60.129 66.665 1.00 17.16  ? 184 GLU   A O    1 
ATOM   1221 C  CB   . GLU   A 1 80  ? -6.852  62.403 65.514 1.00 14.09  ? 184 GLU   A CB   1 
ATOM   1222 C  CG   . GLU   A 1 80  ? -6.081  63.103 64.460 1.00 15.95  ? 184 GLU   A CG   1 
ATOM   1223 C  CD   . GLU   A 1 80  ? -5.890  64.604 64.635 1.00 16.45  ? 184 GLU   A CD   1 
ATOM   1224 O  OE1  . GLU   A 1 80  ? -6.588  65.167 65.496 1.00 18.79  ? 184 GLU   A OE1  1 
ATOM   1225 O  OE2  . GLU   A 1 80  ? -5.018  65.192 63.925 1.00 19.47  ? 184 GLU   A OE2  1 
ATOM   1226 H  H    . GLU   A 1 80  ? -8.382  61.372 63.721 1.00 14.97  ? 184 GLU   A H    1 
ATOM   1227 H  HA   . GLU   A 1 80  ? -6.096  60.552 65.068 1.00 14.52  ? 184 GLU   A HA   1 
ATOM   1228 H  HB2  . GLU   A 1 80  ? -7.747  62.799 65.574 1.00 14.56  ? 184 GLU   A HB2  1 
ATOM   1229 H  HB3  . GLU   A 1 80  ? -6.405  62.530 66.377 1.00 14.56  ? 184 GLU   A HB3  1 
ATOM   1230 H  HG2  . GLU   A 1 80  ? -5.193  62.691 64.403 1.00 15.60  ? 184 GLU   A HG2  1 
ATOM   1231 H  HG3  . GLU   A 1 80  ? -6.524  62.953 63.599 1.00 15.60  ? 184 GLU   A HG3  1 
ATOM   1232 N  N    . GLU   A 1 81  ? -6.609  59.686 67.278 1.00 13.15  ? 185 GLU   A N    1 
ATOM   1233 C  CA   . GLU   A 1 81  ? -6.902  59.265 68.641 1.00 13.58  ? 185 GLU   A CA   1 
ATOM   1234 C  C    . GLU   A 1 81  ? -6.230  60.236 69.593 1.00 15.94  ? 185 GLU   A C    1 
ATOM   1235 O  O    . GLU   A 1 81  ? -5.008  60.438 69.534 1.00 16.94  ? 185 GLU   A O    1 
ATOM   1236 C  CB   . GLU   A 1 81  ? -6.407  57.844 68.916 1.00 14.55  ? 185 GLU   A CB   1 
ATOM   1237 C  CG   . GLU   A 1 81  ? -7.125  56.835 68.045 1.00 15.93  ? 185 GLU   A CG   1 
ATOM   1238 C  CD   . GLU   A 1 81  ? -6.732  55.365 68.170 1.00 16.71  ? 185 GLU   A CD   1 
ATOM   1239 O  OE1  . GLU   A 1 81  ? -6.328  54.972 69.262 1.00 18.63  ? 185 GLU   A OE1  1 
ATOM   1240 O  OE2  . GLU   A 1 81  ? -6.918  54.614 67.179 1.00 17.22  ? 185 GLU   A OE2  1 
ATOM   1241 H  H    . GLU   A 1 81  ? -5.663  59.585 66.938 1.00 13.74  ? 185 GLU   A H    1 
ATOM   1242 H  HA   . GLU   A 1 81  ? -7.876  59.298 68.782 1.00 14.11  ? 185 GLU   A HA   1 
ATOM   1243 H  HB2  . GLU   A 1 81  ? -5.444  57.800 68.739 1.00 14.63  ? 185 GLU   A HB2  1 
ATOM   1244 H  HB3  . GLU   A 1 81  ? -6.558  57.627 69.859 1.00 14.65  ? 185 GLU   A HB3  1 
ATOM   1245 H  HG2  . GLU   A 1 81  ? -8.084  56.902 68.233 1.00 15.80  ? 185 GLU   A HG2  1 
ATOM   1246 H  HG3  . GLU   A 1 81  ? -7.000  57.096 67.108 1.00 15.77  ? 185 GLU   A HG3  1 
ATOM   1247 N  N    . ARG   A 1 82  ? -7.019  60.858 70.495 1.00 14.98  ? 186 ARG   A N    1 
ATOM   1248 C  CA   . ARG   A 1 82  ? -6.472  61.874 71.385 1.00 16.43  ? 186 ARG   A CA   1 
ATOM   1249 C  C    . ARG   A 1 82  ? -6.505  61.454 72.849 1.00 20.48  ? 186 ARG   A C    1 
ATOM   1250 O  O    . ARG   A 1 82  ? -7.438  60.812 73.277 1.00 23.32  ? 186 ARG   A O    1 
ATOM   1251 C  CB   . ARG   A 1 82  ? -7.258  63.164 71.158 1.00 15.81  ? 186 ARG   A CB   1 
ATOM   1252 C  CG   . ARG   A 1 82  ? -6.891  63.829 69.847 1.00 15.55  ? 186 ARG   A CG   1 
ATOM   1253 C  CD   . ARG   A 1 82  ? -7.830  64.956 69.396 1.00 17.54  ? 186 ARG   A CD   1 
ATOM   1254 N  NE   . ARG   A 1 82  ? -7.213  65.678 68.305 1.00 17.26  ? 186 ARG   A NE   1 
ATOM   1255 C  CZ   . ARG   A 1 82  ? -6.616  66.852 68.400 1.00 17.26  ? 186 ARG   A CZ   1 
ATOM   1256 N  NH1  . ARG   A 1 82  ? -6.509  67.442 69.580 1.00 19.39  ? 186 ARG   A NH1  1 
ATOM   1257 N  NH2  . ARG   A 1 82  ? -6.039  67.389 67.363 1.00 17.99  ? 186 ARG   A NH2  1 
ATOM   1258 H  H    . ARG   A 1 82  ? -7.999  60.620 70.561 1.00 15.53  ? 186 ARG   A H    1 
ATOM   1259 H  HA   . ARG   A 1 82  ? -5.537  62.034 71.130 1.00 16.73  ? 186 ARG   A HA   1 
ATOM   1260 H  HB2  . ARG   A 1 82  ? -8.216  62.959 71.158 1.00 15.89  ? 186 ARG   A HB2  1 
ATOM   1261 H  HB3  . ARG   A 1 82  ? -7.076  63.783 71.895 1.00 15.90  ? 186 ARG   A HB3  1 
ATOM   1262 H  HG2  . ARG   A 1 82  ? -5.985  64.196 69.925 1.00 16.06  ? 186 ARG   A HG2  1 
ATOM   1263 H  HG3  . ARG   A 1 82  ? -6.869  63.146 69.143 1.00 16.06  ? 186 ARG   A HG3  1 
ATOM   1264 H  HD2  . ARG   A 1 82  ? -8.681  64.574 69.096 1.00 17.00  ? 186 ARG   A HD2  1 
ATOM   1265 H  HD3  . ARG   A 1 82  ? -8.011  65.559 70.145 1.00 17.01  ? 186 ARG   A HD3  1 
ATOM   1266 H  HE   . ARG   A 1 82  ? -7.234  65.304 67.517 1.00 17.38  ? 186 ARG   A HE   1 
ATOM   1267 H  HH11 . ARG   A 1 82  ? -6.871  67.083 70.292 1.00 18.61  ? 186 ARG   A HH11 1 
ATOM   1268 H  HH12 . ARG   A 1 82  ? -6.103  68.216 69.644 1.00 18.63  ? 186 ARG   A HH12 1 
ATOM   1269 H  HH21 . ARG   A 1 82  ? -6.093  66.995 66.577 1.00 17.79  ? 186 ARG   A HH21 1 
ATOM   1270 H  HH22 . ARG   A 1 82  ? -5.638  68.169 67.437 1.00 17.80  ? 186 ARG   A HH22 1 
ATOM   1271 N  N    . GLN   A 1 83  ? -5.437  61.848 73.572 1.00 20.51  ? 187 GLN   A N    1 
ATOM   1272 C  CA   . GLN   A 1 83  ? -5.235  61.539 74.981 1.00 22.33  ? 187 GLN   A CA   1 
ATOM   1273 C  C    . GLN   A 1 83  ? -4.898  62.871 75.651 1.00 21.93  ? 187 GLN   A C    1 
ATOM   1274 O  O    . GLN   A 1 83  ? -3.882  63.511 75.311 1.00 21.48  ? 187 GLN   A O    1 
ATOM   1275 C  CB   . GLN   A 1 83  ? -4.155  60.458 75.118 1.00 23.52  ? 187 GLN   A CB   1 
ATOM   1276 C  CG   . GLN   A 1 83  ? -3.554  60.242 76.502 1.00 22.38  ? 187 GLN   A CG   1 
ATOM   1277 C  CD   . GLN   A 1 83  ? -4.507  59.641 77.505 1.00 23.97  ? 187 GLN   A CD   1 
ATOM   1278 O  OE1  . GLN   A 1 83  ? -5.436  60.311 77.956 1.00 28.36  ? 187 GLN   A OE1  1 
ATOM   1279 H  H    . GLN   A 1 83  ? -4.728  62.397 73.107 1.00 20.89  ? 187 GLN   A H    1 
ATOM   1280 H  HA   . GLN   A 1 83  ? -6.079  61.197 75.353 1.00 22.11  ? 187 GLN   A HA   1 
ATOM   1281 H  HB2  . GLN   A 1 83  ? -4.541  59.610 74.814 1.00 22.96  ? 187 GLN   A HB2  1 
ATOM   1282 H  HB3  . GLN   A 1 83  ? -3.428  60.681 74.499 1.00 22.96  ? 187 GLN   A HB3  1 
ATOM   1283 H  HG2  . GLN   A 1 83  ? -2.775  59.652 76.419 1.00 23.01  ? 187 GLN   A HG2  1 
ATOM   1284 H  HG3  . GLN   A 1 83  ? -3.236  61.101 76.848 1.00 23.00  ? 187 GLN   A HG3  1 
ATOM   1285 N  N    . SER   A 1 84  ? -5.679  63.212 76.686 1.00 22.93  ? 188 SER   A N    1 
ATOM   1286 C  CA   A SER   A 1 84  ? -5.451  64.429 77.461 0.50 22.27  ? 188 SER   A CA   1 
ATOM   1287 C  CA   B SER   A 1 84  ? -5.455  64.417 77.470 0.50 20.99  ? 188 SER   A CA   1 
ATOM   1288 C  C    . SER   A 1 84  ? -4.457  64.208 78.605 1.00 19.00  ? 188 SER   A C    1 
ATOM   1289 O  O    . SER   A 1 84  ? -3.928  65.182 79.117 1.00 21.05  ? 188 SER   A O    1 
ATOM   1290 C  CB   A SER   A 1 84  ? -6.722  65.033 77.963 0.50 25.03  ? 188 SER   A CB   1 
ATOM   1291 C  CB   B SER   A 1 84  ? -6.753  64.893 78.065 0.50 21.84  ? 188 SER   A CB   1 
ATOM   1292 O  OG   A SER   A 1 84  ? -6.990  66.211 77.211 0.50 29.24  ? 188 SER   A OG   1 
ATOM   1293 O  OG   B SER   A 1 84  ? -7.235  63.938 79.010 0.50 20.92  ? 188 SER   A OG   1 
ATOM   1294 H  H    . SER   A 1 84  ? -6.450  62.610 76.940 1.00 22.24  ? 188 SER   A H    1 
ATOM   1295 H  HA   . SER   A 1 84  ? -5.068  65.106 76.853 1.00 21.85  ? 188 SER   A HA   1 
ATOM   1296 H  HB2  A SER   A 1 84  ? -7.464  64.392 77.855 0.50 25.24  ? 188 SER   A HB2  1 
ATOM   1297 H  HB2  B SER   A 1 84  ? -6.612  65.756 78.509 0.50 21.42  ? 188 SER   A HB2  1 
ATOM   1298 H  HB3  A SER   A 1 84  ? -6.636  65.256 78.920 0.50 25.24  ? 188 SER   A HB3  1 
ATOM   1299 H  HB3  B SER   A 1 84  ? -7.418  65.017 77.350 0.50 21.42  ? 188 SER   A HB3  1 
ATOM   1300 H  HG   A SER   A 1 84  ? -7.773  66.605 77.514 0.00 17.80  ? 188 SER   A HG   1 
ATOM   1301 H  HG   B SER   A 1 84  ? -7.464  64.348 79.714 0.50 21.20  ? 188 SER   A HG   1 
ATOM   1302 N  N    . VAL   A 1 85  ? -4.191  62.958 79.004 1.00 17.70  ? 189 VAL   A N    1 
ATOM   1303 C  CA   . VAL   A 1 85  ? -3.121  62.717 79.959 1.00 16.92  ? 189 VAL   A CA   1 
ATOM   1304 C  C    . VAL   A 1 85  ? -1.815  63.051 79.260 1.00 17.49  ? 189 VAL   A C    1 
ATOM   1305 O  O    . VAL   A 1 85  ? -1.582  62.581 78.153 1.00 17.00  ? 189 VAL   A O    1 
ATOM   1306 C  CB   . VAL   A 1 85  ? -3.074  61.275 80.482 1.00 19.42  ? 189 VAL   A CB   1 
ATOM   1307 C  CG1  . VAL   A 1 85  ? -1.867  61.025 81.370 1.00 21.00  ? 189 VAL   A CG1  1 
ATOM   1308 C  CG2  . VAL   A 1 85  ? -4.365  60.928 81.204 1.00 20.97  ? 189 VAL   A CG2  1 
ATOM   1309 H  H    . VAL   A 1 85  ? -4.729  62.180 78.655 1.00 17.85  ? 189 VAL   A H    1 
ATOM   1310 H  HA   . VAL   A 1 85  ? -3.237  63.320 80.716 1.00 17.63  ? 189 VAL   A HA   1 
ATOM   1311 H  HB   . VAL   A 1 85  ? -2.999  60.679 79.697 1.00 19.49  ? 189 VAL   A HB   1 
ATOM   1312 H  HG11 . VAL   A 1 85  ? -1.097  60.805 80.818 1.00 20.49  ? 189 VAL   A HG11 1 
ATOM   1313 H  HG12 . VAL   A 1 85  ? -2.053  60.285 81.973 1.00 20.50  ? 189 VAL   A HG12 1 
ATOM   1314 H  HG13 . VAL   A 1 85  ? -1.675  61.825 81.890 1.00 20.49  ? 189 VAL   A HG13 1 
ATOM   1315 H  HG21 . VAL   A 1 85  ? -4.487  61.531 81.958 1.00 20.47  ? 189 VAL   A HG21 1 
ATOM   1316 H  HG22 . VAL   A 1 85  ? -4.320  60.011 81.527 1.00 20.47  ? 189 VAL   A HG22 1 
ATOM   1317 H  HG23 . VAL   A 1 85  ? -5.116  61.019 80.593 1.00 20.46  ? 189 VAL   A HG23 1 
ATOM   1318 N  N    . PHE   A 1 86  ? -1.007  63.902 79.894 1.00 15.18  ? 190 PHE   A N    1 
ATOM   1319 C  CA   . PHE   A 1 86  ? 0.125   64.525 79.236 1.00 14.36  ? 190 PHE   A CA   1 
ATOM   1320 C  C    . PHE   A 1 86  ? 1.320   64.557 80.157 1.00 16.02  ? 190 PHE   A C    1 
ATOM   1321 O  O    . PHE   A 1 86  ? 1.504   65.491 80.940 1.00 19.21  ? 190 PHE   A O    1 
ATOM   1322 C  CB   . PHE   A 1 86  ? -0.245  65.941 78.812 1.00 14.23  ? 190 PHE   A CB   1 
ATOM   1323 C  CG   . PHE   A 1 86  ? 0.706   66.522 77.818 1.00 13.84  ? 190 PHE   A CG   1 
ATOM   1324 C  CD1  . PHE   A 1 86  ? 1.860   67.150 78.231 1.00 13.50  ? 190 PHE   A CD1  1 
ATOM   1325 C  CD2  . PHE   A 1 86  ? 0.517   66.374 76.459 1.00 12.12  ? 190 PHE   A CD2  1 
ATOM   1326 C  CE1  . PHE   A 1 86  ? 2.762   67.681 77.321 1.00 13.31  ? 190 PHE   A CE1  1 
ATOM   1327 C  CE2  . PHE   A 1 86  ? 1.423   66.895 75.538 1.00 13.49  ? 190 PHE   A CE2  1 
ATOM   1328 C  CZ   . PHE   A 1 86  ? 2.548   67.560 75.973 1.00 13.34  ? 190 PHE   A CZ   1 
ATOM   1329 H  H    . PHE   A 1 86  ? -1.182  64.119 80.865 1.00 15.51  ? 190 PHE   A H    1 
ATOM   1330 H  HA   . PHE   A 1 86  ? 0.357   64.005 78.428 1.00 14.81  ? 190 PHE   A HA   1 
ATOM   1331 H  HB2  . PHE   A 1 86  ? -1.144  65.925 78.422 1.00 14.17  ? 190 PHE   A HB2  1 
ATOM   1332 H  HB3  . PHE   A 1 86  ? -0.272  66.514 79.606 1.00 14.18  ? 190 PHE   A HB3  1 
ATOM   1333 H  HD1  . PHE   A 1 86  ? 2.018   67.259 79.155 1.00 13.52  ? 190 PHE   A HD1  1 
ATOM   1334 H  HD2  . PHE   A 1 86  ? -0.257  65.931 76.148 1.00 12.88  ? 190 PHE   A HD2  1 
ATOM   1335 H  HE1  . PHE   A 1 86  ? 3.532   68.129 77.634 1.00 13.39  ? 190 PHE   A HE1  1 
ATOM   1336 H  HE2  . PHE   A 1 86  ? 1.259   66.803 74.613 1.00 13.15  ? 190 PHE   A HE2  1 
ATOM   1337 H  HZ   . PHE   A 1 86  ? 3.169   67.910 75.355 1.00 13.37  ? 190 PHE   A HZ   1 
ATOM   1338 N  N    . PRO   A 1 87  ? 2.130   63.493 80.148 1.00 15.58  ? 191 PRO   A N    1 
ATOM   1339 C  CA   . PRO   A 1 87  ? 3.178   63.369 81.155 1.00 16.47  ? 191 PRO   A CA   1 
ATOM   1340 C  C    . PRO   A 1 87  ? 4.484   64.094 80.898 1.00 17.52  ? 191 PRO   A C    1 
ATOM   1341 O  O    . PRO   A 1 87  ? 5.391   64.000 81.727 1.00 23.87  ? 191 PRO   A O    1 
ATOM   1342 C  CB   . PRO   A 1 87  ? 3.439   61.857 81.181 1.00 18.30  ? 191 PRO   A CB   1 
ATOM   1343 C  CG   . PRO   A 1 87  ? 3.039   61.373 79.801 1.00 17.70  ? 191 PRO   A CG   1 
ATOM   1344 C  CD   . PRO   A 1 87  ? 1.922   62.270 79.365 1.00 17.78  ? 191 PRO   A CD   1 
ATOM   1345 H  HA   . PRO   A 1 87  ? 2.814   63.644 82.034 1.00 16.83  ? 191 PRO   A HA   1 
ATOM   1346 H  HB2  . PRO   A 1 87  ? 4.385   61.665 81.355 1.00 17.72  ? 191 PRO   A HB2  1 
ATOM   1347 H  HB3  . PRO   A 1 87  ? 2.897   61.421 81.872 1.00 17.71  ? 191 PRO   A HB3  1 
ATOM   1348 H  HG2  . PRO   A 1 87  ? 3.794   61.436 79.180 1.00 17.86  ? 191 PRO   A HG2  1 
ATOM   1349 H  HG3  . PRO   A 1 87  ? 2.739   60.441 79.835 1.00 17.86  ? 191 PRO   A HG3  1 
ATOM   1350 H  HD2  . PRO   A 1 87  ? 1.975   62.454 78.409 1.00 17.21  ? 191 PRO   A HD2  1 
ATOM   1351 H  HD3  . PRO   A 1 87  ? 1.054   61.871 79.564 1.00 17.21  ? 191 PRO   A HD3  1 
ATOM   1352 N  N    . PHE   A 1 88  ? 4.600   64.787 79.776 1.00 16.32  ? 192 PHE   A N    1 
ATOM   1353 C  CA   . PHE   A 1 88  ? 5.814   65.487 79.409 1.00 14.36  ? 192 PHE   A CA   1 
ATOM   1354 C  C    . PHE   A 1 88  ? 5.783   66.889 79.983 1.00 15.98  ? 192 PHE   A C    1 
ATOM   1355 O  O    . PHE   A 1 88  ? 4.713   67.461 80.185 1.00 16.63  ? 192 PHE   A O    1 
ATOM   1356 C  CB   . PHE   A 1 88  ? 5.989   65.557 77.892 1.00 14.19  ? 192 PHE   A CB   1 
ATOM   1357 C  CG   . PHE   A 1 88  ? 6.027   64.205 77.225 1.00 13.71  ? 192 PHE   A CG   1 
ATOM   1358 C  CD1  . PHE   A 1 88  ? 7.204   63.487 77.149 1.00 13.03  ? 192 PHE   A CD1  1 
ATOM   1359 C  CD2  . PHE   A 1 88  ? 4.884   63.669 76.643 1.00 13.84  ? 192 PHE   A CD2  1 
ATOM   1360 C  CE1  . PHE   A 1 88  ? 7.241   62.244 76.540 1.00 12.76  ? 192 PHE   A CE1  1 
ATOM   1361 C  CE2  . PHE   A 1 88  ? 4.908   62.410 76.098 1.00 13.81  ? 192 PHE   A CE2  1 
ATOM   1362 C  CZ   . PHE   A 1 88  ? 6.085   61.700 76.021 1.00 13.72  ? 192 PHE   A CZ   1 
ATOM   1363 H  H    . PHE   A 1 88  ? 3.818   64.829 79.142 1.00 16.10  ? 192 PHE   A H    1 
ATOM   1364 H  HA   . PHE   A 1 88  ? 6.589   65.005 79.794 1.00 15.01  ? 192 PHE   A HA   1 
ATOM   1365 H  HB2  . PHE   A 1 88  ? 5.250   66.078 77.516 1.00 14.12  ? 192 PHE   A HB2  1 
ATOM   1366 H  HB3  . PHE   A 1 88  ? 6.823   66.032 77.695 1.00 14.12  ? 192 PHE   A HB3  1 
ATOM   1367 H  HD1  . PHE   A 1 88  ? 7.993   63.849 77.520 1.00 13.17  ? 192 PHE   A HD1  1 
ATOM   1368 H  HD2  . PHE   A 1 88  ? 4.065   64.133 76.714 1.00 13.77  ? 192 PHE   A HD2  1 
ATOM   1369 H  HE1  . PHE   A 1 88  ? 8.049   61.757 76.509 1.00 13.10  ? 192 PHE   A HE1  1 
ATOM   1370 H  HE2  . PHE   A 1 88  ? 4.123   62.056 75.711 1.00 13.76  ? 192 PHE   A HE2  1 
ATOM   1371 H  HZ   . PHE   A 1 88  ? 6.104   60.855 75.600 1.00 13.51  ? 192 PHE   A HZ   1 
ATOM   1372 N  N    . GLU   A 1 89  ? 6.972   67.401 80.295 1.00 15.26  ? 193 GLU   A N    1 
ATOM   1373 C  CA   . GLU   A 1 89  ? 7.109   68.767 80.777 1.00 17.24  ? 193 GLU   A CA   1 
ATOM   1374 C  C    . GLU   A 1 89  ? 8.313   69.406 80.120 1.00 15.12  ? 193 GLU   A C    1 
ATOM   1375 O  O    . GLU   A 1 89  ? 9.418   68.860 80.102 1.00 14.36  ? 193 GLU   A O    1 
ATOM   1376 C  CB   . GLU   A 1 89  ? 7.277   68.825 82.306 1.00 20.41  ? 193 GLU   A CB   1 
ATOM   1377 C  CG   . GLU   A 1 89  ? 6.004   68.484 83.107 1.00 25.68  ? 193 GLU   A CG   1 
ATOM   1378 C  CD   . GLU   A 1 89  ? 4.892   69.543 83.227 1.00 35.19  ? 193 GLU   A CD   1 
ATOM   1379 O  OE1  . GLU   A 1 89  ? 5.073   70.701 82.720 1.00 38.06  ? 193 GLU   A OE1  1 
ATOM   1380 O  OE2  . GLU   A 1 89  ? 3.824   69.225 83.840 1.00 40.52  ? 193 GLU   A OE2  1 
ATOM   1381 H  H    . GLU   A 1 89  ? 7.802   66.834 80.196 1.00 15.87  ? 193 GLU   A H    1 
ATOM   1382 H  HA   . GLU   A 1 89  ? 6.303   69.273 80.525 1.00 16.95  ? 193 GLU   A HA   1 
ATOM   1383 H  HB2  . GLU   A 1 89  ? 7.987   68.199 82.563 1.00 20.71  ? 193 GLU   A HB2  1 
ATOM   1384 H  HB3  . GLU   A 1 89  ? 7.572   69.726 82.552 1.00 20.72  ? 193 GLU   A HB3  1 
ATOM   1385 H  HG2  . GLU   A 1 89  ? 5.604   67.681 82.712 1.00 26.17  ? 193 GLU   A HG2  1 
ATOM   1386 H  HG3  . GLU   A 1 89  ? 6.278   68.242 84.017 1.00 26.20  ? 193 GLU   A HG3  1 
ATOM   1387 N  N    . SER   A 1 90  ? 8.143   70.653 79.688 1.00 15.34  ? 194 SER   A N    1 
ATOM   1388 C  CA   A SER   A 1 90  ? 9.228   71.411 79.111 0.50 15.27  ? 194 SER   A CA   1 
ATOM   1389 C  CA   B SER   A 1 90  ? 9.224   71.413 79.112 0.50 16.24  ? 194 SER   A CA   1 
ATOM   1390 C  C    . SER   A 1 90  ? 10.414  71.433 80.075 1.00 15.95  ? 194 SER   A C    1 
ATOM   1391 O  O    . SER   A 1 90  ? 10.260  71.646 81.265 1.00 16.78  ? 194 SER   A O    1 
ATOM   1392 C  CB   A SER   A 1 90  ? 8.762   72.811 78.789 0.50 16.76  ? 194 SER   A CB   1 
ATOM   1393 C  CB   B SER   A 1 90  ? 8.721   72.807 78.801 0.50 19.42  ? 194 SER   A CB   1 
ATOM   1394 O  OG   A SER   A 1 90  ? 8.006   72.813 77.591 0.50 16.68  ? 194 SER   A OG   1 
ATOM   1395 O  OG   B SER   A 1 90  ? 9.777   73.746 78.848 0.50 23.43  ? 194 SER   A OG   1 
ATOM   1396 H  H    . SER   A 1 90  ? 7.231   71.081 79.761 1.00 15.48  ? 194 SER   A H    1 
ATOM   1397 H  HA   . SER   A 1 90  ? 9.506   70.969 78.267 1.00 16.22  ? 194 SER   A HA   1 
ATOM   1398 H  HB2  A SER   A 1 90  ? 8.211   73.154 79.528 0.50 16.38  ? 194 SER   A HB2  1 
ATOM   1399 H  HB2  B SER   A 1 90  ? 8.314   72.814 77.905 0.50 19.45  ? 194 SER   A HB2  1 
ATOM   1400 H  HB3  A SER   A 1 90  ? 9.542   73.402 78.686 0.50 16.41  ? 194 SER   A HB3  1 
ATOM   1401 H  HB3  B SER   A 1 90  ? 8.030   73.061 79.454 0.50 19.44  ? 194 SER   A HB3  1 
ATOM   1402 H  HG   A SER   A 1 90  ? 7.411   73.637 77.587 0.00 17.80  ? 194 SER   A HG   1 
ATOM   1403 H  HG   B SER   A 1 90  ? 9.641   74.271 79.497 0.50 22.11  ? 194 SER   A HG   1 
ATOM   1404 N  N    . GLY   A 1 91  ? 11.593  71.162 79.543 1.00 14.28  ? 195 GLY   A N    1 
ATOM   1405 C  CA   . GLY   A 1 91  ? 12.822  71.204 80.321 1.00 12.78  ? 195 GLY   A CA   1 
ATOM   1406 C  C    . GLY   A 1 91  ? 13.147  69.918 81.057 1.00 13.97  ? 195 GLY   A C    1 
ATOM   1407 O  O    . GLY   A 1 91  ? 14.244  69.842 81.648 1.00 16.06  ? 195 GLY   A O    1 
ATOM   1408 H  H    . GLY   A 1 91  ? 11.652  70.922 78.564 1.00 14.29  ? 195 GLY   A H    1 
ATOM   1409 H  HA2  . GLY   A 1 91  ? 13.571  71.422 79.712 1.00 13.40  ? 195 GLY   A HA2  1 
ATOM   1410 H  HA3  . GLY   A 1 91  ? 12.755  71.942 80.979 1.00 13.41  ? 195 GLY   A HA3  1 
ATOM   1411 N  N    . LYS   A 1 92  ? 12.267  68.929 81.068 1.00 12.84  ? 196 LYS   A N    1 
ATOM   1412 C  CA   . LYS   A 1 92  ? 12.505  67.814 81.966 1.00 13.47  ? 196 LYS   A CA   1 
ATOM   1413 C  C    . LYS   A 1 92  ? 12.779  66.503 81.225 1.00 12.52  ? 196 LYS   A C    1 
ATOM   1414 O  O    . LYS   A 1 92  ? 12.321  66.249 80.105 1.00 11.96  ? 196 LYS   A O    1 
ATOM   1415 C  CB   . LYS   A 1 92  ? 11.322  67.525 82.868 1.00 13.60  ? 196 LYS   A CB   1 
ATOM   1416 C  CG   . LYS   A 1 92  ? 10.905  68.669 83.786 1.00 14.71  ? 196 LYS   A CG   1 
ATOM   1417 C  CD   . LYS   A 1 92  ? 9.989   68.256 84.919 1.00 15.45  ? 196 LYS   A CD   1 
ATOM   1418 C  CE   . LYS   A 1 92  ? 9.196   69.380 85.519 1.00 19.19  ? 196 LYS   A CE   1 
ATOM   1419 N  NZ   . LYS   A 1 92  ? 8.504   68.915 86.741 1.00 21.08  ? 196 LYS   A NZ   1 
ATOM   1420 H  H    . LYS   A 1 92  ? 11.459  68.929 80.465 1.00 13.25  ? 196 LYS   A H    1 
ATOM   1421 H  HA   . LYS   A 1 92  ? 13.280  68.028 82.529 1.00 13.18  ? 196 LYS   A HA   1 
ATOM   1422 H  HB2  . LYS   A 1 92  ? 10.556  67.287 82.305 1.00 13.82  ? 196 LYS   A HB2  1 
ATOM   1423 H  HB3  . LYS   A 1 92  ? 11.536  66.746 83.422 1.00 13.81  ? 196 LYS   A HB3  1 
ATOM   1424 H  HG2  . LYS   A 1 92  ? 11.713  69.075 84.166 1.00 14.61  ? 196 LYS   A HG2  1 
ATOM   1425 H  HG3  . LYS   A 1 92  ? 10.453  69.353 83.248 1.00 14.62  ? 196 LYS   A HG3  1 
ATOM   1426 H  HD2  . LYS   A 1 92  ? 9.364   67.576 84.587 1.00 16.08  ? 196 LYS   A HD2  1 
ATOM   1427 H  HD3  . LYS   A 1 92  ? 10.529  67.843 85.626 1.00 16.09  ? 196 LYS   A HD3  1 
ATOM   1428 H  HE2  . LYS   A 1 92  ? 9.790   70.121 85.747 1.00 18.64  ? 196 LYS   A HE2  1 
ATOM   1429 H  HE3  . LYS   A 1 92  ? 8.536   69.701 84.876 1.00 18.64  ? 196 LYS   A HE3  1 
ATOM   1430 H  HZ1  . LYS   A 1 92  ? 7.925   68.249 86.532 1.00 20.47  ? 196 LYS   A HZ1  1 
ATOM   1431 H  HZ2  . LYS   A 1 92  ? 8.043   69.602 87.114 1.00 20.47  ? 196 LYS   A HZ2  1 
ATOM   1432 H  HZ3  . LYS   A 1 92  ? 9.110   68.605 87.340 1.00 20.46  ? 196 LYS   A HZ3  1 
ATOM   1433 N  N    . PRO   A 1 93  ? 13.612  65.638 81.819 1.00 11.13  ? 197 PRO   A N    1 
ATOM   1434 C  CA   . PRO   A 1 93  ? 13.955  64.338 81.265 1.00 11.39  ? 197 PRO   A CA   1 
ATOM   1435 C  C    . PRO   A 1 93  ? 12.769  63.376 81.295 1.00 11.63  ? 197 PRO   A C    1 
ATOM   1436 O  O    . PRO   A 1 93  ? 11.985  63.357 82.228 1.00 11.38  ? 197 PRO   A O    1 
ATOM   1437 C  CB   . PRO   A 1 93  ? 15.099  63.858 82.150 1.00 12.47  ? 197 PRO   A CB   1 
ATOM   1438 C  CG   . PRO   A 1 93  ? 14.979  64.577 83.413 1.00 13.36  ? 197 PRO   A CG   1 
ATOM   1439 C  CD   . PRO   A 1 93  ? 14.300  65.870 83.107 1.00 12.20  ? 197 PRO   A CD   1 
ATOM   1440 H  HA   . PRO   A 1 93  ? 14.281  64.452 80.339 1.00 11.59  ? 197 PRO   A HA   1 
ATOM   1441 H  HB2  . PRO   A 1 93  ? 15.037  62.890 82.300 1.00 12.40  ? 197 PRO   A HB2  1 
ATOM   1442 H  HB3  . PRO   A 1 93  ? 15.963  64.051 81.728 1.00 12.41  ? 197 PRO   A HB3  1 
ATOM   1443 H  HG2  . PRO   A 1 93  ? 14.451  64.057 84.054 1.00 12.87  ? 197 PRO   A HG2  1 
ATOM   1444 H  HG3  . PRO   A 1 93  ? 15.863  64.740 83.799 1.00 12.87  ? 197 PRO   A HG3  1 
ATOM   1445 H  HD2  . PRO   A 1 93  ? 13.661  66.099 83.807 1.00 12.21  ? 197 PRO   A HD2  1 
ATOM   1446 H  HD3  . PRO   A 1 93  ? 14.950  66.592 83.027 1.00 12.20  ? 197 PRO   A HD3  1 
ATOM   1447 N  N    . PHE   A 1 94  ? 12.661  62.549 80.248 1.00 11.54  ? 198 PHE   A N    1 
ATOM   1448 C  CA   . PHE   A 1 94  ? 11.587  61.581 80.105 1.00 10.92  ? 198 PHE   A CA   1 
ATOM   1449 C  C    . PHE   A 1 94  ? 12.146  60.253 79.622 1.00 10.09  ? 198 PHE   A C    1 
ATOM   1450 O  O    . PHE   A 1 94  ? 13.232  60.164 79.065 1.00 11.36  ? 198 PHE   A O    1 
ATOM   1451 C  CB   . PHE   A 1 94  ? 10.516  62.060 79.115 1.00 11.32  ? 198 PHE   A CB   1 
ATOM   1452 C  CG   . PHE   A 1 94  ? 11.030  62.250 77.713 1.00 12.45  ? 198 PHE   A CG   1 
ATOM   1453 C  CD1  . PHE   A 1 94  ? 11.098  61.172 76.857 1.00 13.12  ? 198 PHE   A CD1  1 
ATOM   1454 C  CD2  . PHE   A 1 94  ? 11.535  63.481 77.256 1.00 14.78  ? 198 PHE   A CD2  1 
ATOM   1455 C  CE1  . PHE   A 1 94  ? 11.628  61.308 75.583 1.00 13.75  ? 198 PHE   A CE1  1 
ATOM   1456 C  CE2  . PHE   A 1 94  ? 12.011  63.626 75.958 1.00 15.48  ? 198 PHE   A CE2  1 
ATOM   1457 C  CZ   . PHE   A 1 94  ? 12.085  62.536 75.132 1.00 14.66  ? 198 PHE   A CZ   1 
ATOM   1458 H  H    . PHE   A 1 94  ? 13.360  62.596 79.520 1.00 11.41  ? 198 PHE   A H    1 
ATOM   1459 H  HA   . PHE   A 1 94  ? 11.164  61.441 80.988 1.00 10.95  ? 198 PHE   A HA   1 
ATOM   1460 H  HB2  . PHE   A 1 94  ? 9.787   61.405 79.102 1.00 11.48  ? 198 PHE   A HB2  1 
ATOM   1461 H  HB3  . PHE   A 1 94  ? 10.151  62.910 79.438 1.00 11.48  ? 198 PHE   A HB3  1 
ATOM   1462 H  HD1  . PHE   A 1 94  ? 10.804  60.326 77.152 1.00 13.18  ? 198 PHE   A HD1  1 
ATOM   1463 H  HD2  . PHE   A 1 94  ? 11.492  64.235 77.821 1.00 14.29  ? 198 PHE   A HD2  1 
ATOM   1464 H  HE1  . PHE   A 1 94  ? 11.648  60.562 75.006 1.00 13.81  ? 198 PHE   A HE1  1 
ATOM   1465 H  HE2  . PHE   A 1 94  ? 12.336  64.463 75.666 1.00 14.96  ? 198 PHE   A HE2  1 
ATOM   1466 H  HZ   . PHE   A 1 94  ? 12.416  62.627 74.253 1.00 14.53  ? 198 PHE   A HZ   1 
ATOM   1467 N  N    . LYS   A 1 95  ? 11.296  59.240 79.797 1.00 10.64  ? 199 LYS   A N    1 
ATOM   1468 C  CA   . LYS   A 1 95  ? 11.512  57.927 79.223 1.00 11.86  ? 199 LYS   A CA   1 
ATOM   1469 C  C    . LYS   A 1 95  ? 10.197  57.537 78.580 1.00 11.83  ? 199 LYS   A C    1 
ATOM   1470 O  O    . LYS   A 1 95  ? 9.154   57.560 79.230 1.00 13.05  ? 199 LYS   A O    1 
ATOM   1471 C  CB   . LYS   A 1 95  ? 11.898  56.911 80.266 1.00 13.30  ? 199 LYS   A CB   1 
ATOM   1472 C  CG   . LYS   A 1 95  ? 12.022  55.484 79.736 1.00 14.28  ? 199 LYS   A CG   1 
ATOM   1473 C  CD   . LYS   A 1 95  ? 12.540  54.499 80.786 1.00 15.09  ? 199 LYS   A CD   1 
ATOM   1474 C  CE   . LYS   A 1 95  ? 11.602  54.248 81.928 1.00 18.35  ? 199 LYS   A CE   1 
ATOM   1475 N  NZ   . LYS   A 1 95  ? 12.225  53.339 82.930 1.00 20.95  ? 199 LYS   A NZ   1 
ATOM   1476 H  H    . LYS   A 1 95  ? 10.466  59.389 80.355 1.00 10.78  ? 199 LYS   A H    1 
ATOM   1477 H  HA   . LYS   A 1 95  ? 12.215  57.981 78.538 1.00 11.86  ? 199 LYS   A HA   1 
ATOM   1478 H  HB2  . LYS   A 1 95  ? 12.756  57.176 80.658 1.00 13.17  ? 199 LYS   A HB2  1 
ATOM   1479 H  HB3  . LYS   A 1 95  ? 11.225  56.925 80.978 1.00 13.18  ? 199 LYS   A HB3  1 
ATOM   1480 H  HG2  . LYS   A 1 95  ? 11.143  55.182 79.424 1.00 14.22  ? 199 LYS   A HG2  1 
ATOM   1481 H  HG3  . LYS   A 1 95  ? 12.631  55.482 78.967 1.00 14.23  ? 199 LYS   A HG3  1 
ATOM   1482 H  HD2  . LYS   A 1 95  ? 12.731  53.643 80.346 1.00 15.61  ? 199 LYS   A HD2  1 
ATOM   1483 H  HD3  . LYS   A 1 95  ? 13.386  54.841 81.147 1.00 15.60  ? 199 LYS   A HD3  1 
ATOM   1484 H  HE2  . LYS   A 1 95  ? 11.374  55.092 82.361 1.00 18.05  ? 199 LYS   A HE2  1 
ATOM   1485 H  HE3  . LYS   A 1 95  ? 10.778  53.843 81.596 1.00 18.07  ? 199 LYS   A HE3  1 
ATOM   1486 H  HZ1  . LYS   A 1 95  ? 12.889  52.858 82.544 1.00 20.08  ? 199 LYS   A HZ1  1 
ATOM   1487 H  HZ2  . LYS   A 1 95  ? 11.600  52.768 83.257 1.00 20.10  ? 199 LYS   A HZ2  1 
ATOM   1488 H  HZ3  . LYS   A 1 95  ? 12.569  53.825 83.614 1.00 20.10  ? 199 LYS   A HZ3  1 
ATOM   1489 N  N    . ILE   A 1 96  ? 10.256  57.169 77.299 1.00 10.96  ? 200 ILE   A N    1 
ATOM   1490 C  CA   . ILE   A 1 96  ? 9.109   56.584 76.610 1.00 10.83  ? 200 ILE   A CA   1 
ATOM   1491 C  C    . ILE   A 1 96  ? 9.431   55.108 76.359 1.00 10.92  ? 200 ILE   A C    1 
ATOM   1492 O  O    . ILE   A 1 96  ? 10.492  54.808 75.807 1.00 12.36  ? 200 ILE   A O    1 
ATOM   1493 C  CB   . ILE   A 1 96  ? 8.837   57.287 75.270 1.00 12.13  ? 200 ILE   A CB   1 
ATOM   1494 C  CG1  . ILE   A 1 96  ? 8.622   58.797 75.394 1.00 12.25  ? 200 ILE   A CG1  1 
ATOM   1495 C  CG2  . ILE   A 1 96  ? 7.686   56.618 74.538 1.00 13.34  ? 200 ILE   A CG2  1 
ATOM   1496 C  CD1  . ILE   A 1 96  ? 8.599   59.564 74.081 1.00 13.81  ? 200 ILE   A CD1  1 
ATOM   1497 H  H    . ILE   A 1 96  ? 11.116  57.298 76.784 1.00 11.13  ? 200 ILE   A H    1 
ATOM   1498 H  HA   . ILE   A 1 96  ? 8.318   56.654 77.174 1.00 11.11  ? 200 ILE   A HA   1 
ATOM   1499 H  HB   . ILE   A 1 96  ? 9.645   57.161 74.714 1.00 12.11  ? 200 ILE   A HB   1 
ATOM   1500 H  HG12 . ILE   A 1 96  ? 7.771   58.951 75.857 1.00 12.57  ? 200 ILE   A HG12 1 
ATOM   1501 H  HG13 . ILE   A 1 96  ? 9.335   59.167 75.954 1.00 12.57  ? 200 ILE   A HG13 1 
ATOM   1502 H  HG21 . ILE   A 1 96  ? 8.020   55.854 74.035 1.00 12.95  ? 200 ILE   A HG21 1 
ATOM   1503 H  HG22 . ILE   A 1 96  ? 7.274   57.249 73.924 1.00 12.95  ? 200 ILE   A HG22 1 
ATOM   1504 H  HG23 . ILE   A 1 96  ? 7.022   56.315 75.181 1.00 12.94  ? 200 ILE   A HG23 1 
ATOM   1505 H  HD11 . ILE   A 1 96  ? 9.204   59.143 73.447 1.00 13.31  ? 200 ILE   A HD11 1 
ATOM   1506 H  HD12 . ILE   A 1 96  ? 8.880   60.482 74.235 1.00 13.31  ? 200 ILE   A HD12 1 
ATOM   1507 H  HD13 . ILE   A 1 96  ? 7.696   59.560 73.717 1.00 13.31  ? 200 ILE   A HD13 1 
ATOM   1508 N  N    . GLN   A 1 97  ? 8.506   54.243 76.704 1.00 10.81  ? 201 GLN   A N    1 
ATOM   1509 C  CA   . GLN   A 1 97  ? 8.613   52.842 76.372 1.00 12.10  ? 201 GLN   A CA   1 
ATOM   1510 C  C    . GLN   A 1 97  ? 7.418   52.472 75.498 1.00 11.41  ? 201 GLN   A C    1 
ATOM   1511 O  O    . GLN   A 1 97  ? 6.292   52.824 75.798 1.00 13.77  ? 201 GLN   A O    1 
ATOM   1512 C  CB   . GLN   A 1 97  ? 8.618   51.942 77.591 1.00 14.26  ? 201 GLN   A CB   1 
ATOM   1513 C  CG   . GLN   A 1 97  ? 9.873   52.118 78.435 1.00 15.80  ? 201 GLN   A CG   1 
ATOM   1514 C  CD   . GLN   A 1 97  ? 9.688   51.602 79.845 1.00 19.49  ? 201 GLN   A CD   1 
ATOM   1515 O  OE1  . GLN   A 1 97  ? 8.762   51.952 80.579 1.00 22.14  ? 201 GLN   A OE1  1 
ATOM   1516 N  NE2  . GLN   A 1 97  ? 10.516  50.634 80.203 1.00 24.61  ? 201 GLN   A NE2  1 
ATOM   1517 H  H    . GLN   A 1 97  ? 7.695   54.560 77.217 1.00 11.12  ? 201 GLN   A H    1 
ATOM   1518 H  HA   . GLN   A 1 97  ? 9.441   52.698 75.865 1.00 12.08  ? 201 GLN   A HA   1 
ATOM   1519 H  HB2  . GLN   A 1 97  ? 7.828   52.144 78.135 1.00 14.07  ? 201 GLN   A HB2  1 
ATOM   1520 H  HB3  . GLN   A 1 97  ? 8.554   51.010 77.296 1.00 14.05  ? 201 GLN   A HB3  1 
ATOM   1521 H  HG2  . GLN   A 1 97  ? 10.617  51.641 78.009 1.00 16.23  ? 201 GLN   A HG2  1 
ATOM   1522 H  HG3  . GLN   A 1 97  ? 10.108  53.069 78.470 1.00 16.19  ? 201 GLN   A HG3  1 
ATOM   1523 H  HE21 . GLN   A 1 97  ? 10.346  50.151 80.924 1.00 22.89  ? 201 GLN   A HE21 1 
ATOM   1524 H  HE22 . GLN   A 1 97  ? 11.242  50.469 79.724 1.00 22.85  ? 201 GLN   A HE22 1 
ATOM   1525 N  N    . VAL   A 1 98  ? 7.714   51.864 74.346 1.00 10.20  ? 202 VAL   A N    1 
ATOM   1526 C  CA   . VAL   A 1 98  ? 6.676   51.382 73.464 1.00 10.17  ? 202 VAL   A CA   1 
ATOM   1527 C  C    . VAL   A 1 98  ? 6.800   49.860 73.394 1.00 10.26  ? 202 VAL   A C    1 
ATOM   1528 O  O    . VAL   A 1 98  ? 7.806   49.360 72.930 1.00 10.88  ? 202 VAL   A O    1 
ATOM   1529 C  CB   . VAL   A 1 98  ? 6.805   51.995 72.062 1.00 10.15  ? 202 VAL   A CB   1 
ATOM   1530 C  CG1  . VAL   A 1 98  ? 5.688   51.494 71.193 1.00 10.78  ? 202 VAL   A CG1  1 
ATOM   1531 C  CG2  . VAL   A 1 98  ? 6.855   53.504 72.039 1.00 10.75  ? 202 VAL   A CG2  1 
ATOM   1532 H  H    . VAL   A 1 98  ? 8.680   51.734 74.079 1.00 10.47  ? 202 VAL   A H    1 
ATOM   1533 H  HA   . VAL   A 1 98  ? 5.808   51.615 73.834 1.00 10.21  ? 202 VAL   A HA   1 
ATOM   1534 H  HB   . VAL   A 1 98  ? 7.654   51.664 71.676 1.00 10.38  ? 202 VAL   A HB   1 
ATOM   1535 H  HG11 . VAL   A 1 98  ? 5.888   50.591 70.893 1.00 10.58  ? 202 VAL   A HG11 1 
ATOM   1536 H  HG12 . VAL   A 1 98  ? 5.592   52.076 70.419 1.00 10.58  ? 202 VAL   A HG12 1 
ATOM   1537 H  HG13 . VAL   A 1 98  ? 4.857   51.491 71.699 1.00 10.58  ? 202 VAL   A HG13 1 
ATOM   1538 H  HG21 . VAL   A 1 98  ? 6.047   53.862 72.446 1.00 10.56  ? 202 VAL   A HG21 1 
ATOM   1539 H  HG22 . VAL   A 1 98  ? 6.919   53.814 71.119 1.00 10.56  ? 202 VAL   A HG22 1 
ATOM   1540 H  HG23 . VAL   A 1 98  ? 7.631   53.812 72.538 1.00 10.56  ? 202 VAL   A HG23 1 
ATOM   1541 N  N    . LEU   A 1 99  ? 5.803   49.142 73.891 1.00 10.37  ? 203 LEU   A N    1 
ATOM   1542 C  CA   . LEU   A 1 99  ? 5.800   47.696 73.854 1.00 11.51  ? 203 LEU   A CA   1 
ATOM   1543 C  C    . LEU   A 1 99  ? 4.868   47.276 72.737 1.00 12.52  ? 203 LEU   A C    1 
ATOM   1544 O  O    . LEU   A 1 99  ? 3.712   47.666 72.717 1.00 12.81  ? 203 LEU   A O    1 
ATOM   1545 C  CB   . LEU   A 1 99  ? 5.351   47.129 75.201 1.00 13.13  ? 203 LEU   A CB   1 
ATOM   1546 C  CG   . LEU   A 1 99  ? 5.280   45.605 75.233 1.00 13.54  ? 203 LEU   A CG   1 
ATOM   1547 C  CD1  . LEU   A 1 99  ? 6.623   44.955 74.935 1.00 15.51  ? 203 LEU   A CD1  1 
ATOM   1548 C  CD2  . LEU   A 1 99  ? 4.715   45.140 76.557 1.00 16.21  ? 203 LEU   A CD2  1 
ATOM   1549 H  H    . LEU   A 1 99  ? 5.016   49.616 74.313 1.00 10.60  ? 203 LEU   A H    1 
ATOM   1550 H  HA   . LEU   A 1 99  ? 6.710   47.382 73.649 1.00 11.77  ? 203 LEU   A HA   1 
ATOM   1551 H  HB2  . LEU   A 1 99  ? 5.975   47.430 75.891 1.00 12.82  ? 203 LEU   A HB2  1 
ATOM   1552 H  HB3  . LEU   A 1 99  ? 4.468   47.491 75.415 1.00 12.82  ? 203 LEU   A HB3  1 
ATOM   1553 H  HG   . LEU   A 1 99  ? 4.650   45.319 74.527 1.00 14.30  ? 203 LEU   A HG   1 
ATOM   1554 H  HD11 . LEU   A 1 99  ? 6.844   45.082 73.997 1.00 14.87  ? 203 LEU   A HD11 1 
ATOM   1555 H  HD12 . LEU   A 1 99  ? 6.573   44.003 75.128 1.00 14.90  ? 203 LEU   A HD12 1 
ATOM   1556 H  HD13 . LEU   A 1 99  ? 7.311   45.362 75.488 1.00 14.88  ? 203 LEU   A HD13 1 
ATOM   1557 H  HD21 . LEU   A 1 99  ? 5.080   45.684 77.276 1.00 15.34  ? 203 LEU   A HD21 1 
ATOM   1558 H  HD22 . LEU   A 1 99  ? 4.952   44.208 76.705 1.00 15.36  ? 203 LEU   A HD22 1 
ATOM   1559 H  HD23 . LEU   A 1 99  ? 3.746   45.227 76.544 1.00 15.35  ? 203 LEU   A HD23 1 
ATOM   1560 N  N    . VAL   A 1 100 ? 5.369   46.444 71.808 1.00 11.87  ? 204 VAL   A N    1 
ATOM   1561 C  CA   . VAL   A 1 100 ? 4.498   45.904 70.771 1.00 11.77  ? 204 VAL   A CA   1 
ATOM   1562 C  C    . VAL   A 1 100 ? 3.764   44.709 71.356 1.00 12.73  ? 204 VAL   A C    1 
ATOM   1563 O  O    . VAL   A 1 100 ? 4.394   43.756 71.828 1.00 13.27  ? 204 VAL   A O    1 
ATOM   1564 C  CB   . VAL   A 1 100 ? 5.339   45.515 69.549 1.00 12.55  ? 204 VAL   A CB   1 
ATOM   1565 C  CG1  . VAL   A 1 100 ? 4.486   45.032 68.390 1.00 13.48  ? 204 VAL   A CG1  1 
ATOM   1566 C  CG2  . VAL   A 1 100 ? 6.208   46.682 69.139 1.00 12.33  ? 204 VAL   A CG2  1 
ATOM   1567 H  H    . VAL   A 1 100 ? 6.343   46.180 71.829 1.00 12.00  ? 204 VAL   A H    1 
ATOM   1568 H  HA   . VAL   A 1 100 ? 3.852   46.584 70.510 1.00 12.12  ? 204 VAL   A HA   1 
ATOM   1569 H  HB   . VAL   A 1 100 ? 5.933   44.774 69.820 1.00 12.53  ? 204 VAL   A HB   1 
ATOM   1570 H  HG11 . VAL   A 1 100 ? 4.065   44.187 68.626 1.00 13.18  ? 204 VAL   A HG11 1 
ATOM   1571 H  HG12 . VAL   A 1 100 ? 5.046   44.904 67.605 1.00 13.18  ? 204 VAL   A HG12 1 
ATOM   1572 H  HG13 . VAL   A 1 100 ? 3.800   45.692 68.194 1.00 13.18  ? 204 VAL   A HG13 1 
ATOM   1573 H  HG21 . VAL   A 1 100 ? 5.751   47.517 69.343 1.00 12.40  ? 204 VAL   A HG21 1 
ATOM   1574 H  HG22 . VAL   A 1 100 ? 6.386   46.638 68.183 1.00 12.41  ? 204 VAL   A HG22 1 
ATOM   1575 H  HG23 . VAL   A 1 100 ? 7.049   46.647 69.625 1.00 12.40  ? 204 VAL   A HG23 1 
ATOM   1576 N  N    . GLU   A 1 101 ? 2.439   44.779 71.367 1.00 13.17  ? 205 GLU   A N    1 
ATOM   1577 C  CA   . GLU   A 1 101 ? 1.618   43.662 71.761 1.00 15.09  ? 205 GLU   A CA   1 
ATOM   1578 C  C    . GLU   A 1 101 ? 0.897   43.148 70.517 1.00 14.80  ? 205 GLU   A C    1 
ATOM   1579 O  O    . GLU   A 1 101 ? 0.967   43.745 69.456 1.00 14.67  ? 205 GLU   A O    1 
ATOM   1580 C  CB   . GLU   A 1 101 ? 0.666   44.098 72.872 1.00 16.71  ? 205 GLU   A CB   1 
ATOM   1581 C  CG   . GLU   A 1 101 ? 1.401   44.461 74.161 1.00 18.86  ? 205 GLU   A CG   1 
ATOM   1582 C  CD   . GLU   A 1 101 ? 0.607   44.512 75.450 1.00 22.97  ? 205 GLU   A CD   1 
ATOM   1583 O  OE1  . GLU   A 1 101 ? -0.515  45.050 75.439 1.00 28.40  ? 205 GLU   A OE1  1 
ATOM   1584 O  OE2  . GLU   A 1 101 ? 1.180   44.078 76.518 1.00 21.71  ? 205 GLU   A OE2  1 
ATOM   1585 H  H    . GLU   A 1 101 ? 1.986   45.640 71.094 1.00 13.48  ? 205 GLU   A H    1 
ATOM   1586 H  HA   . GLU   A 1 101 ? 2.202   42.949 72.105 1.00 14.94  ? 205 GLU   A HA   1 
ATOM   1587 H  HB2  . GLU   A 1 101 ? 0.154   44.874 72.564 1.00 16.78  ? 205 GLU   A HB2  1 
ATOM   1588 H  HB3  . GLU   A 1 101 ? 0.036   43.372 73.056 1.00 16.78  ? 205 GLU   A HB3  1 
ATOM   1589 H  HG2  . GLU   A 1 101 ? 2.130   43.817 74.287 1.00 19.19  ? 205 GLU   A HG2  1 
ATOM   1590 H  HG3  . GLU   A 1 101 ? 1.818   45.340 74.035 1.00 19.20  ? 205 GLU   A HG3  1 
ATOM   1591 N  N    . PRO   A 1 102 ? 0.266   41.961 70.596 1.00 15.41  ? 206 PRO   A N    1 
ATOM   1592 C  CA   . PRO   A 1 102 ? -0.328  41.378 69.404 1.00 15.19  ? 206 PRO   A CA   1 
ATOM   1593 C  C    . PRO   A 1 102 ? -1.335  42.305 68.740 1.00 14.61  ? 206 PRO   A C    1 
ATOM   1594 O  O    . PRO   A 1 102 ? -1.356  42.341 67.503 1.00 16.37  ? 206 PRO   A O    1 
ATOM   1595 C  CB   . PRO   A 1 102 ? -0.917  40.054 69.933 1.00 15.47  ? 206 PRO   A CB   1 
ATOM   1596 C  CG   . PRO   A 1 102 ? 0.020   39.694 71.080 1.00 17.87  ? 206 PRO   A CG   1 
ATOM   1597 C  CD   . PRO   A 1 102 ? 0.254   41.037 71.745 1.00 16.78  ? 206 PRO   A CD   1 
ATOM   1598 H  HA   . PRO   A 1 102 ? 0.395   41.169 68.761 1.00 15.17  ? 206 PRO   A HA   1 
ATOM   1599 H  HB2  . PRO   A 1 102 ? -1.836  40.177 70.253 1.00 15.94  ? 206 PRO   A HB2  1 
ATOM   1600 H  HB3  . PRO   A 1 102 ? -0.908  39.360 69.239 1.00 15.94  ? 206 PRO   A HB3  1 
ATOM   1601 H  HG2  . PRO   A 1 102 ? -0.402  39.062 71.698 1.00 17.02  ? 206 PRO   A HG2  1 
ATOM   1602 H  HG3  . PRO   A 1 102 ? 0.858   39.312 70.748 1.00 17.02  ? 206 PRO   A HG3  1 
ATOM   1603 H  HD2  . PRO   A 1 102 ? -0.465  41.254 72.366 1.00 16.71  ? 206 PRO   A HD2  1 
ATOM   1604 H  HD3  . PRO   A 1 102 ? 1.105   41.050 72.221 1.00 16.71  ? 206 PRO   A HD3  1 
ATOM   1605 N  N    . ASP   A 1 103 ? -2.118  43.072 69.526 1.00 14.79  ? 207 ASP   A N    1 
ATOM   1606 C  CA   . ASP   A 1 103 ? -3.168  43.858 68.896 1.00 15.43  ? 207 ASP   A CA   1 
ATOM   1607 C  C    . ASP   A 1 103 ? -2.970  45.368 68.937 1.00 13.87  ? 207 ASP   A C    1 
ATOM   1608 O  O    . ASP   A 1 103 ? -3.802  46.088 68.398 1.00 12.74  ? 207 ASP   A O    1 
ATOM   1609 C  CB   . ASP   A 1 103 ? -4.537  43.494 69.420 1.00 17.06  ? 207 ASP   A CB   1 
ATOM   1610 C  CG   . ASP   A 1 103 ? -4.977  42.120 68.886 1.00 22.64  ? 207 ASP   A CG   1 
ATOM   1611 O  OD1  . ASP   A 1 103 ? -4.479  41.664 67.763 1.00 19.73  ? 207 ASP   A OD1  1 
ATOM   1612 O  OD2  . ASP   A 1 103 ? -5.729  41.514 69.610 1.00 30.28  ? 207 ASP   A OD2  1 
ATOM   1613 H  H    . ASP   A 1 103 ? -2.003  43.092 70.529 1.00 14.89  ? 207 ASP   A H    1 
ATOM   1614 H  HA   . ASP   A 1 103 ? -3.167  43.612 67.947 1.00 15.31  ? 207 ASP   A HA   1 
ATOM   1615 H  HB2  . ASP   A 1 103 ? -4.518  43.465 70.398 1.00 17.84  ? 207 ASP   A HB2  1 
ATOM   1616 H  HB3  . ASP   A 1 103 ? -5.194  44.164 69.141 1.00 17.80  ? 207 ASP   A HB3  1 
ATOM   1617 N  N    . HIS   A 1 104 ? -1.950  45.839 69.659 1.00 12.76  ? 208 HIS   A N    1 
ATOM   1618 C  CA   . HIS   A 1 104 ? -1.704  47.263 69.805 1.00 12.85  ? 208 HIS   A CA   1 
ATOM   1619 C  C    . HIS   A 1 104 ? -0.263  47.548 70.202 1.00 11.94  ? 208 HIS   A C    1 
ATOM   1620 O  O    . HIS   A 1 104 ? 0.472   46.708 70.684 1.00 13.33  ? 208 HIS   A O    1 
ATOM   1621 C  CB   . HIS   A 1 104 ? -2.598  47.937 70.831 1.00 15.23  ? 208 HIS   A CB   1 
ATOM   1622 C  CG   . HIS   A 1 104 ? -2.778  47.146 72.054 1.00 19.77  ? 208 HIS   A CG   1 
ATOM   1623 N  ND1  . HIS   A 1 104 ? -3.874  46.265 72.221 1.00 21.12  ? 208 HIS   A ND1  1 
ATOM   1624 C  CD2  . HIS   A 1 104 ? -1.930  46.920 73.089 1.00 22.89  ? 208 HIS   A CD2  1 
ATOM   1625 C  CE1  . HIS   A 1 104 ? -3.694  45.593 73.339 1.00 23.15  ? 208 HIS   A CE1  1 
ATOM   1626 N  NE2  . HIS   A 1 104 ? -2.533  45.981 73.889 1.00 25.29  ? 208 HIS   A NE2  1 
ATOM   1627 H  H    . HIS   A 1 104 ? -1.325  45.194 70.118 1.00 13.05  ? 208 HIS   A H    1 
ATOM   1628 H  HA   . HIS   A 1 104 ? -1.866  47.685 68.929 1.00 13.06  ? 208 HIS   A HA   1 
ATOM   1629 H  HB2  . HIS   A 1 104 ? -2.215  48.810 71.070 1.00 15.54  ? 208 HIS   A HB2  1 
ATOM   1630 H  HB3  . HIS   A 1 104 ? -3.479  48.098 70.428 1.00 15.60  ? 208 HIS   A HB3  1 
ATOM   1631 H  HD1  . HIS   A 1 104 ? -4.540  46.174 71.674 1.00 21.34  ? 208 HIS   A HD1  1 
ATOM   1632 H  HD2  . HIS   A 1 104 ? -1.108  47.344 73.249 1.00 22.54  ? 208 HIS   A HD2  1 
ATOM   1633 H  HE1  . HIS   A 1 104 ? -4.302  44.978 73.713 1.00 22.97  ? 208 HIS   A HE1  1 
ATOM   1634 H  HE2  . HIS   A 1 104 ? -2.224  45.695 74.649 1.00 24.09  ? 208 HIS   A HE2  1 
ATOM   1635 N  N    . PHE   A 1 105 ? 0.142   48.795 69.963 1.00 10.29  ? 209 PHE   A N    1 
ATOM   1636 C  CA   . PHE   A 1 105 ? 1.279   49.368 70.659 1.00 10.90  ? 209 PHE   A CA   1 
ATOM   1637 C  C    . PHE   A 1 105 ? 0.828   49.844 72.036 1.00 11.90  ? 209 PHE   A C    1 
ATOM   1638 O  O    . PHE   A 1 105 ? -0.229  50.441 72.166 1.00 12.75  ? 209 PHE   A O    1 
ATOM   1639 C  CB   . PHE   A 1 105 ? 1.819   50.570 69.887 1.00 11.98  ? 209 PHE   A CB   1 
ATOM   1640 C  CG   . PHE   A 1 105 ? 2.353   50.289 68.520 1.00 11.99  ? 209 PHE   A CG   1 
ATOM   1641 C  CD1  . PHE   A 1 105 ? 3.671   49.889 68.379 1.00 12.63  ? 209 PHE   A CD1  1 
ATOM   1642 C  CD2  . PHE   A 1 105 ? 1.538   50.392 67.394 1.00 12.50  ? 209 PHE   A CD2  1 
ATOM   1643 C  CE1  . PHE   A 1 105 ? 4.189   49.631 67.115 1.00 14.07  ? 209 PHE   A CE1  1 
ATOM   1644 C  CE2  . PHE   A 1 105 ? 2.061   50.131 66.132 1.00 12.00  ? 209 PHE   A CE2  1 
ATOM   1645 C  CZ   . PHE   A 1 105 ? 3.382   49.771 65.991 1.00 13.18  ? 209 PHE   A CZ   1 
ATOM   1646 H  H    . PHE   A 1 105 ? -0.352  49.359 69.286 1.00 10.82  ? 209 PHE   A H    1 
ATOM   1647 H  HA   . PHE   A 1 105 ? 1.992   48.687 70.757 1.00 11.17  ? 209 PHE   A HA   1 
ATOM   1648 H  HB2  . PHE   A 1 105 ? 1.097   51.228 69.808 1.00 11.72  ? 209 PHE   A HB2  1 
ATOM   1649 H  HB3  . PHE   A 1 105 ? 2.532   50.978 70.421 1.00 11.72  ? 209 PHE   A HB3  1 
ATOM   1650 H  HD1  . PHE   A 1 105 ? 4.224   49.818 69.140 1.00 12.78  ? 209 PHE   A HD1  1 
ATOM   1651 H  HD2  . PHE   A 1 105 ? 0.639   50.664 67.486 1.00 12.31  ? 209 PHE   A HD2  1 
ATOM   1652 H  HE1  . PHE   A 1 105 ? 5.092   49.374 67.020 1.00 13.41  ? 209 PHE   A HE1  1 
ATOM   1653 H  HE2  . PHE   A 1 105 ? 1.513   50.219 65.370 1.00 12.42  ? 209 PHE   A HE2  1 
ATOM   1654 H  HZ   . PHE   A 1 105 ? 3.728   49.576 65.135 1.00 13.04  ? 209 PHE   A HZ   1 
ATOM   1655 N  N    . LYS   A 1 106 ? 1.604   49.519 73.063 1.00 11.14  ? 210 LYS   A N    1 
ATOM   1656 C  CA   . LYS   A 1 106 ? 1.333   49.970 74.419 1.00 13.34  ? 210 LYS   A CA   1 
ATOM   1657 C  C    . LYS   A 1 106 ? 2.429   50.965 74.806 1.00 13.27  ? 210 LYS   A C    1 
ATOM   1658 O  O    . LYS   A 1 106 ? 3.605   50.613 74.760 1.00 15.47  ? 210 LYS   A O    1 
ATOM   1659 C  CB   . LYS   A 1 106 ? 1.327   48.752 75.345 1.00 16.50  ? 210 LYS   A CB   1 
ATOM   1660 C  CG   . LYS   A 1 106 ? 0.755   48.998 76.730 1.00 18.24  ? 210 LYS   A CG   1 
ATOM   1661 C  CD   . LYS   A 1 106 ? 0.650   47.751 77.592 1.00 20.25  ? 210 LYS   A CD   1 
ATOM   1662 C  CE   . LYS   A 1 106 ? 1.973   47.154 78.031 1.00 19.69  ? 210 LYS   A CE   1 
ATOM   1663 N  NZ   . LYS   A 1 106 ? 1.805   45.802 78.696 1.00 22.25  ? 210 LYS   A NZ   1 
ATOM   1664 H  H    . LYS   A 1 106 ? 2.415   48.938 72.902 1.00 11.80  ? 210 LYS   A H    1 
ATOM   1665 H  HA   . LYS   A 1 106 ? 0.456   50.414 74.450 1.00 13.39  ? 210 LYS   A HA   1 
ATOM   1666 H  HB2  . LYS   A 1 106 ? 0.807   48.040 74.916 1.00 16.07  ? 210 LYS   A HB2  1 
ATOM   1667 H  HB3  . LYS   A 1 106 ? 2.248   48.431 75.441 1.00 16.07  ? 210 LYS   A HB3  1 
ATOM   1668 H  HG2  . LYS   A 1 106 ? 1.321   49.653 77.189 1.00 18.27  ? 210 LYS   A HG2  1 
ATOM   1669 H  HG3  . LYS   A 1 106 ? -0.138  49.393 76.634 1.00 18.35  ? 210 LYS   A HG3  1 
ATOM   1670 H  HD2  . LYS   A 1 106 ? 0.125   47.967 78.392 1.00 19.66  ? 210 LYS   A HD2  1 
ATOM   1671 H  HD3  . LYS   A 1 106 ? 0.160   47.066 77.094 1.00 19.80  ? 210 LYS   A HD3  1 
ATOM   1672 H  HE2  . LYS   A 1 106 ? 2.557   47.053 77.257 1.00 20.36  ? 210 LYS   A HE2  1 
ATOM   1673 H  HE3  . LYS   A 1 106 ? 2.410   47.761 78.659 1.00 20.39  ? 210 LYS   A HE3  1 
ATOM   1674 H  HZ1  . LYS   A 1 106 ? 2.590   45.545 79.072 1.00 21.43  ? 210 LYS   A HZ1  1 
ATOM   1675 H  HZ2  . LYS   A 1 106 ? 1.555   45.186 78.081 1.00 21.43  ? 210 LYS   A HZ2  1 
ATOM   1676 H  HZ3  . LYS   A 1 106 ? 1.170   45.854 79.341 1.00 21.43  ? 210 LYS   A HZ3  1 
ATOM   1677 N  N    . VAL   A 1 107 ? 2.052   52.166 75.212 1.00 11.19  ? 211 VAL   A N    1 
ATOM   1678 C  CA   . VAL   A 1 107 ? 2.999   53.222 75.516 1.00 11.17  ? 211 VAL   A CA   1 
ATOM   1679 C  C    . VAL   A 1 107 ? 2.941   53.572 77.012 1.00 11.08  ? 211 VAL   A C    1 
ATOM   1680 O  O    . VAL   A 1 107 ? 1.865   53.858 77.545 1.00 11.49  ? 211 VAL   A O    1 
ATOM   1681 C  CB   . VAL   A 1 107 ? 2.709   54.482 74.688 1.00 11.62  ? 211 VAL   A CB   1 
ATOM   1682 C  CG1  . VAL   A 1 107 ? 3.751   55.510 75.000 1.00 11.87  ? 211 VAL   A CG1  1 
ATOM   1683 C  CG2  . VAL   A 1 107 ? 2.717   54.177 73.204 1.00 11.85  ? 211 VAL   A CG2  1 
ATOM   1684 H  H    . VAL   A 1 107 ? 1.067   52.359 75.318 1.00 11.65  ? 211 VAL   A H    1 
ATOM   1685 H  HA   . VAL   A 1 107 ? 3.892   52.909 75.301 1.00 11.26  ? 211 VAL   A HA   1 
ATOM   1686 H  HB   . VAL   A 1 107 ? 1.820   54.833 74.943 1.00 11.62  ? 211 VAL   A HB   1 
ATOM   1687 H  HG11 . VAL   A 1 107 ? 3.514   55.975 75.821 1.00 11.79  ? 211 VAL   A HG11 1 
ATOM   1688 H  HG12 . VAL   A 1 107 ? 3.805   56.152 74.272 1.00 11.79  ? 211 VAL   A HG12 1 
ATOM   1689 H  HG13 . VAL   A 1 107 ? 4.615   55.076 75.112 1.00 11.79  ? 211 VAL   A HG13 1 
ATOM   1690 H  HG21 . VAL   A 1 107 ? 3.548   53.730 72.969 1.00 11.78  ? 211 VAL   A HG21 1 
ATOM   1691 H  HG22 . VAL   A 1 107 ? 2.642   55.007 72.701 1.00 11.78  ? 211 VAL   A HG22 1 
ATOM   1692 H  HG23 . VAL   A 1 107 ? 1.965   53.599 72.987 1.00 11.77  ? 211 VAL   A HG23 1 
ATOM   1693 N  N    . ALA   A 1 108 ? 4.117   53.618 77.626 1.00 11.33  ? 212 ALA   A N    1 
ATOM   1694 C  CA   . ALA   A 1 108 ? 4.307   54.108 78.987 1.00 12.76  ? 212 ALA   A CA   1 
ATOM   1695 C  C    . ALA   A 1 108 ? 5.302   55.252 78.967 1.00 11.11  ? 212 ALA   A C    1 
ATOM   1696 O  O    . ALA   A 1 108 ? 6.278   55.187 78.222 1.00 12.90  ? 212 ALA   A O    1 
ATOM   1697 C  CB   . ALA   A 1 108 ? 4.803   53.021 79.893 1.00 13.12  ? 212 ALA   A CB   1 
ATOM   1698 H  H    . ALA   A 1 108 ? 4.931   53.293 77.125 1.00 11.59  ? 212 ALA   A H    1 
ATOM   1699 H  HA   . ALA   A 1 108 ? 3.446   54.443 79.328 1.00 12.21  ? 212 ALA   A HA   1 
ATOM   1700 H  HB1  . ALA   A 1 108 ? 4.144   52.307 79.936 1.00 13.02  ? 212 ALA   A HB1  1 
ATOM   1701 H  HB2  . ALA   A 1 108 ? 4.947   53.380 80.785 1.00 13.01  ? 212 ALA   A HB2  1 
ATOM   1702 H  HB3  . ALA   A 1 108 ? 5.640   52.667 79.549 1.00 13.01  ? 212 ALA   A HB3  1 
ATOM   1703 N  N    . VAL   A 1 109 ? 5.068   56.277 79.782 1.00 11.54  ? 213 VAL   A N    1 
ATOM   1704 C  CA   . VAL   A 1 109 ? 6.016   57.365 79.953 1.00 10.74  ? 213 VAL   A CA   1 
ATOM   1705 C  C    . VAL   A 1 109 ? 6.429   57.435 81.416 1.00 11.24  ? 213 VAL   A C    1 
ATOM   1706 O  O    . VAL   A 1 109 ? 5.544   57.465 82.288 1.00 12.37  ? 213 VAL   A O    1 
ATOM   1707 C  CB   . VAL   A 1 109 ? 5.435   58.680 79.432 1.00 11.19  ? 213 VAL   A CB   1 
ATOM   1708 C  CG1  . VAL   A 1 109 ? 6.414   59.817 79.667 1.00 11.59  ? 213 VAL   A CG1  1 
ATOM   1709 C  CG2  . VAL   A 1 109 ? 5.128   58.538 77.955 1.00 11.69  ? 213 VAL   A CG2  1 
ATOM   1710 H  H    . VAL   A 1 109 ? 4.204   56.304 80.303 1.00 11.25  ? 213 VAL   A H    1 
ATOM   1711 H  HA   . VAL   A 1 109 ? 6.805   57.159 79.427 1.00 11.08  ? 213 VAL   A HA   1 
ATOM   1712 H  HB   . VAL   A 1 109 ? 4.595   58.870 79.919 1.00 11.27  ? 213 VAL   A HB   1 
ATOM   1713 H  HG11 . VAL   A 1 109 ? 6.332   60.134 80.583 1.00 11.46  ? 213 VAL   A HG11 1 
ATOM   1714 H  HG12 . VAL   A 1 109 ? 6.219   60.547 79.055 1.00 11.46  ? 213 VAL   A HG12 1 
ATOM   1715 H  HG13 . VAL   A 1 109 ? 7.322   59.501 79.514 1.00 11.46  ? 213 VAL   A HG13 1 
ATOM   1716 H  HG21 . VAL   A 1 109 ? 5.918   58.213 77.489 1.00 11.53  ? 213 VAL   A HG21 1 
ATOM   1717 H  HG22 . VAL   A 1 109 ? 4.871   59.403 77.592 1.00 11.53  ? 213 VAL   A HG22 1 
ATOM   1718 H  HG23 . VAL   A 1 109 ? 4.398   57.907 77.833 1.00 11.53  ? 213 VAL   A HG23 1 
ATOM   1719 N  N    . ASN   A 1 110 ? 7.702   57.503 81.662 1.00 11.56  ? 214 ASN   A N    1 
ATOM   1720 C  CA   . ASN   A 1 110 ? 8.204   57.591 83.041 1.00 12.91  ? 214 ASN   A CA   1 
ATOM   1721 C  C    . ASN   A 1 110 ? 7.643   56.464 83.891 1.00 16.11  ? 214 ASN   A C    1 
ATOM   1722 O  O    . ASN   A 1 110 ? 7.294   56.702 85.047 1.00 15.39  ? 214 ASN   A O    1 
ATOM   1723 C  CB   . ASN   A 1 110 ? 7.981   58.986 83.625 1.00 13.25  ? 214 ASN   A CB   1 
ATOM   1724 C  CG   . ASN   A 1 110 ? 8.645   60.083 82.815 1.00 11.97  ? 214 ASN   A CG   1 
ATOM   1725 O  OD1  . ASN   A 1 110 ? 9.545   59.838 82.031 1.00 12.77  ? 214 ASN   A OD1  1 
ATOM   1726 N  ND2  . ASN   A 1 110 ? 8.173   61.304 82.971 1.00 12.82  ? 214 ASN   A ND2  1 
ATOM   1727 H  H    . ASN   A 1 110 ? 8.365   57.496 80.900 1.00 11.78  ? 214 ASN   A H    1 
ATOM   1728 H  HA   . ASN   A 1 110 ? 9.180   57.461 82.998 1.00 13.25  ? 214 ASN   A HA   1 
ATOM   1729 H  HB2  . ASN   A 1 110 ? 7.019   59.160 83.672 1.00 12.86  ? 214 ASN   A HB2  1 
ATOM   1730 H  HB3  . ASN   A 1 110 ? 8.336   59.006 84.537 1.00 12.86  ? 214 ASN   A HB3  1 
ATOM   1731 H  HD21 . ASN   A 1 110 ? 8.480   61.965 82.470 1.00 12.56  ? 214 ASN   A HD21 1 
ATOM   1732 H  HD22 . ASN   A 1 110 ? 7.550   61.465 83.578 1.00 12.56  ? 214 ASN   A HD22 1 
ATOM   1733 N  N    . ASP   A 1 111 ? 7.566   55.253 83.308 1.00 15.11  ? 215 ASP   A N    1 
ATOM   1734 C  CA   . ASP   A 1 111 ? 7.114   54.031 83.968 1.00 16.89  ? 215 ASP   A CA   1 
ATOM   1735 C  C    . ASP   A 1 111 ? 5.624   53.970 84.253 1.00 17.55  ? 215 ASP   A C    1 
ATOM   1736 O  O    . ASP   A 1 111 ? 5.164   52.968 84.850 1.00 18.77  ? 215 ASP   A O    1 
ATOM   1737 C  CB   . ASP   A 1 111 ? 7.910   53.774 85.249 1.00 17.56  ? 215 ASP   A CB   1 
ATOM   1738 C  CG   . ASP   A 1 111 ? 9.361   53.494 84.943 1.00 20.96  ? 215 ASP   A CG   1 
ATOM   1739 O  OD1  . ASP   A 1 111 ? 9.635   52.652 84.100 1.00 26.09  ? 215 ASP   A OD1  1 
ATOM   1740 O  OD2  . ASP   A 1 111 ? 10.211  54.158 85.564 1.00 28.87  ? 215 ASP   A OD2  1 
ATOM   1741 H  H    . ASP   A 1 111 ? 7.856   55.178 82.344 1.00 15.71  ? 215 ASP   A H    1 
ATOM   1742 H  HA   . ASP   A 1 111 ? 7.318   53.287 83.354 1.00 16.80  ? 215 ASP   A HA   1 
ATOM   1743 H  HB2  . ASP   A 1 111 ? 7.852   54.545 85.847 1.00 18.15  ? 215 ASP   A HB2  1 
ATOM   1744 H  HB3  . ASP   A 1 111 ? 7.539   52.996 85.714 1.00 18.14  ? 215 ASP   A HB3  1 
ATOM   1745 N  N    . ALA   A 1 112 ? 4.841   54.943 83.777 1.00 14.31  ? 216 ALA   A N    1 
ATOM   1746 C  CA   . ALA   A 1 112 ? 3.401   54.929 83.954 1.00 15.10  ? 216 ALA   A CA   1 
ATOM   1747 C  C    . ALA   A 1 112 ? 2.688   54.741 82.610 1.00 13.84  ? 216 ALA   A C    1 
ATOM   1748 O  O    . ALA   A 1 112 ? 2.960   55.437 81.627 1.00 13.77  ? 216 ALA   A O    1 
ATOM   1749 C  CB   . ALA   A 1 112 ? 2.942   56.199 84.585 1.00 16.41  ? 216 ALA   A CB   1 
ATOM   1750 H  H    . ALA   A 1 112 ? 5.252   55.708 83.270 1.00 15.20  ? 216 ALA   A H    1 
ATOM   1751 H  HA   . ALA   A 1 112 ? 3.161   54.179 84.545 1.00 14.94  ? 216 ALA   A HA   1 
ATOM   1752 H  HB1  . ALA   A 1 112 ? 3.341   56.286 85.467 1.00 15.99  ? 216 ALA   A HB1  1 
ATOM   1753 H  HB2  . ALA   A 1 112 ? 1.974   56.190 84.668 1.00 15.99  ? 216 ALA   A HB2  1 
ATOM   1754 H  HB3  . ALA   A 1 112 ? 3.212   56.952 84.033 1.00 15.99  ? 216 ALA   A HB3  1 
ATOM   1755 N  N    . HIS   A 1 113 ? 1.814   53.729 82.557 1.00 14.01  ? 217 HIS   A N    1 
ATOM   1756 C  CA   . HIS   A 1 113 ? 1.017   53.467 81.372 1.00 13.83  ? 217 HIS   A CA   1 
ATOM   1757 C  C    . HIS   A 1 113 ? 0.344   54.752 80.923 1.00 14.66  ? 217 HIS   A C    1 
ATOM   1758 O  O    . HIS   A 1 113 ? -0.274  55.457 81.707 1.00 16.90  ? 217 HIS   A O    1 
ATOM   1759 C  CB   . HIS   A 1 113 ? -0.052  52.381 81.642 1.00 14.35  ? 217 HIS   A CB   1 
ATOM   1760 C  CG   . HIS   A 1 113 ? -0.946  52.154 80.463 1.00 16.18  ? 217 HIS   A CG   1 
ATOM   1761 N  ND1  . HIS   A 1 113 ? -0.484  51.585 79.304 1.00 17.53  ? 217 HIS   A ND1  1 
ATOM   1762 C  CD2  . HIS   A 1 113 ? -2.212  52.541 80.214 1.00 17.63  ? 217 HIS   A CD2  1 
ATOM   1763 C  CE1  . HIS   A 1 113 ? -1.439  51.560 78.412 1.00 18.05  ? 217 HIS   A CE1  1 
ATOM   1764 N  NE2  . HIS   A 1 113 ? -2.515  52.162 78.941 1.00 17.50  ? 217 HIS   A NE2  1 
ATOM   1765 H  H    . HIS   A 1 113 ? 1.702   53.127 83.360 1.00 13.94  ? 217 HIS   A H    1 
ATOM   1766 H  HA   . HIS   A 1 113 ? 1.619   53.156 80.656 1.00 14.11  ? 217 HIS   A HA   1 
ATOM   1767 H  HB2  . HIS   A 1 113 ? 0.397   51.538 81.872 1.00 14.63  ? 217 HIS   A HB2  1 
ATOM   1768 H  HB3  . HIS   A 1 113 ? -0.599  52.653 82.413 1.00 14.63  ? 217 HIS   A HB3  1 
ATOM   1769 H  HD1  . HIS   A 1 113 ? 0.313   51.258 79.189 1.00 17.31  ? 217 HIS   A HD1  1 
ATOM   1770 H  HD2  . HIS   A 1 113 ? -2.788  52.980 80.811 1.00 17.24  ? 217 HIS   A HD2  1 
ATOM   1771 H  HE1  . HIS   A 1 113 ? -1.375  51.196 77.546 1.00 17.74  ? 217 HIS   A HE1  1 
ATOM   1772 H  HE2  . HIS   A 1 113 ? -3.285  52.259 78.550 1.00 17.62  ? 217 HIS   A HE2  1 
ATOM   1773 N  N    . LEU   A 1 114 ? 0.406   55.035 79.635 1.00 12.29  ? 218 LEU   A N    1 
ATOM   1774 C  CA   . LEU   A 1 114 ? -0.192  56.215 79.030 1.00 12.62  ? 218 LEU   A CA   1 
ATOM   1775 C  C    . LEU   A 1 114 ? -1.353  55.855 78.109 1.00 13.62  ? 218 LEU   A C    1 
ATOM   1776 O  O    . LEU   A 1 114 ? -2.446  56.415 78.262 1.00 15.95  ? 218 LEU   A O    1 
ATOM   1777 C  CB   . LEU   A 1 114 ? 0.889   56.992 78.261 1.00 13.30  ? 218 LEU   A CB   1 
ATOM   1778 C  CG   . LEU   A 1 114 ? 0.390   58.239 77.551 1.00 14.60  ? 218 LEU   A CG   1 
ATOM   1779 C  CD1  . LEU   A 1 114 ? -0.278  59.233 78.496 1.00 14.39  ? 218 LEU   A CD1  1 
ATOM   1780 C  CD2  . LEU   A 1 114 ? 1.493   58.926 76.757 1.00 15.22  ? 218 LEU   A CD2  1 
ATOM   1781 H  H    . LEU   A 1 114 ? 0.900   54.395 79.030 1.00 12.90  ? 218 LEU   A H    1 
ATOM   1782 H  HA   . LEU   A 1 114 ? -0.541  56.786 79.753 1.00 12.89  ? 218 LEU   A HA   1 
ATOM   1783 H  HB2  . LEU   A 1 114 ? 1.592   57.251 78.890 1.00 13.43  ? 218 LEU   A HB2  1 
ATOM   1784 H  HB3  . LEU   A 1 114 ? 1.288   56.395 77.598 1.00 13.43  ? 218 LEU   A HB3  1 
ATOM   1785 H  HG   . LEU   A 1 114 ? -0.296  57.951 76.901 1.00 14.42  ? 218 LEU   A HG   1 
ATOM   1786 H  HD11 . LEU   A 1 114 ? -1.160  58.904 78.743 1.00 14.45  ? 218 LEU   A HD11 1 
ATOM   1787 H  HD12 . LEU   A 1 114 ? -0.366  60.095 78.053 1.00 14.46  ? 218 LEU   A HD12 1 
ATOM   1788 H  HD13 . LEU   A 1 114 ? 0.265   59.335 79.297 1.00 14.46  ? 218 LEU   A HD13 1 
ATOM   1789 H  HD21 . LEU   A 1 114 ? 1.951   59.570 77.325 1.00 15.03  ? 218 LEU   A HD21 1 
ATOM   1790 H  HD22 . LEU   A 1 114 ? 1.105   59.386 75.993 1.00 15.05  ? 218 LEU   A HD22 1 
ATOM   1791 H  HD23 . LEU   A 1 114 ? 2.131   58.261 76.444 1.00 15.03  ? 218 LEU   A HD23 1 
ATOM   1792 N  N    . LEU   A 1 115 ? -1.092  55.015 77.093 1.00 12.19  ? 219 LEU   A N    1 
ATOM   1793 C  CA   . LEU   A 1 115 ? -2.123  54.727 76.110 1.00 11.94  ? 219 LEU   A CA   1 
ATOM   1794 C  C    . LEU   A 1 115 ? -1.799  53.445 75.346 1.00 12.08  ? 219 LEU   A C    1 
ATOM   1795 O  O    . LEU   A 1 115 ? -0.655  52.944 75.373 1.00 11.43  ? 219 LEU   A O    1 
ATOM   1796 C  CB   . LEU   A 1 115 ? -2.336  55.881 75.138 1.00 12.05  ? 219 LEU   A CB   1 
ATOM   1797 C  CG   . LEU   A 1 115 ? -1.138  56.338 74.291 1.00 13.45  ? 219 LEU   A CG   1 
ATOM   1798 C  CD1  . LEU   A 1 115 ? -0.880  55.480 73.052 1.00 14.03  ? 219 LEU   A CD1  1 
ATOM   1799 C  CD2  . LEU   A 1 115 ? -1.289  57.783 73.859 1.00 14.86  ? 219 LEU   A CD2  1 
ATOM   1800 H  H    . LEU   A 1 115 ? -0.183  54.586 77.003 1.00 12.45  ? 219 LEU   A H    1 
ATOM   1801 H  HA   . LEU   A 1 115 ? -2.964  54.575 76.600 1.00 12.05  ? 219 LEU   A HA   1 
ATOM   1802 H  HB2  . LEU   A 1 115 ? -3.057  55.629 74.528 1.00 12.35  ? 219 LEU   A HB2  1 
ATOM   1803 H  HB3  . LEU   A 1 115 ? -2.653  56.650 75.652 1.00 12.36  ? 219 LEU   A HB3  1 
ATOM   1804 H  HG   . LEU   A 1 115 ? -0.332  56.283 74.862 1.00 13.53  ? 219 LEU   A HG   1 
ATOM   1805 H  HD11 . LEU   A 1 115 ? -0.310  54.729 73.290 1.00 13.85  ? 219 LEU   A HD11 1 
ATOM   1806 H  HD12 . LEU   A 1 115 ? -0.439  56.016 72.369 1.00 13.85  ? 219 LEU   A HD12 1 
ATOM   1807 H  HD13 . LEU   A 1 115 ? -1.726  55.147 72.705 1.00 13.85  ? 219 LEU   A HD13 1 
ATOM   1808 H  HD21 . LEU   A 1 115 ? -2.064  57.868 73.277 1.00 14.41  ? 219 LEU   A HD21 1 
ATOM   1809 H  HD22 . LEU   A 1 115 ? -0.491  58.065 73.378 1.00 14.40  ? 219 LEU   A HD22 1 
ATOM   1810 H  HD23 . LEU   A 1 115 ? -1.409  58.346 74.643 1.00 14.40  ? 219 LEU   A HD23 1 
ATOM   1811 N  N    . GLN   A 1 116 ? -2.839  52.961 74.632 1.00 12.89  ? 220 GLN   A N    1 
ATOM   1812 C  CA   . GLN   A 1 116 ? -2.684  51.877 73.675 1.00 14.60  ? 220 GLN   A CA   1 
ATOM   1813 C  C    . GLN   A 1 116 ? -3.224  52.337 72.327 1.00 12.60  ? 220 GLN   A C    1 
ATOM   1814 O  O    . GLN   A 1 116 ? -4.121  53.160 72.255 1.00 14.71  ? 220 GLN   A O    1 
ATOM   1815 C  CB   . GLN   A 1 116 ? -3.478  50.633 74.072 1.00 18.74  ? 220 GLN   A CB   1 
ATOM   1816 C  CG   . GLN   A 1 116 ? -2.948  49.976 75.329 1.00 25.52  ? 220 GLN   A CG   1 
ATOM   1817 C  CD   . GLN   A 1 116 ? -3.800  48.827 75.814 1.00 30.33  ? 220 GLN   A CD   1 
ATOM   1818 O  OE1  . GLN   A 1 116 ? -3.470  48.212 76.830 1.00 39.23  ? 220 GLN   A OE1  1 
ATOM   1819 N  NE2  . GLN   A 1 116 ? -4.874  48.523 75.095 1.00 29.11  ? 220 GLN   A NE2  1 
ATOM   1820 H  H    . GLN   A 1 116 ? -3.757  53.362 74.764 1.00 13.07  ? 220 GLN   A H    1 
ATOM   1821 H  HA   . GLN   A 1 116 ? -1.732  51.650 73.590 1.00 14.51  ? 220 GLN   A HA   1 
ATOM   1822 H  HB2  . GLN   A 1 116 ? -4.414  50.891 74.210 1.00 19.02  ? 220 GLN   A HB2  1 
ATOM   1823 H  HB3  . GLN   A 1 116 ? -3.447  49.990 73.333 1.00 19.01  ? 220 GLN   A HB3  1 
ATOM   1824 H  HG2  . GLN   A 1 116 ? -2.039  49.649 75.158 1.00 24.78  ? 220 GLN   A HG2  1 
ATOM   1825 H  HG3  . GLN   A 1 116 ? -2.893  50.649 76.039 1.00 24.66  ? 220 GLN   A HG3  1 
ATOM   1826 H  HE21 . GLN   A 1 116 ? -5.678  48.754 75.382 1.00 29.47  ? 220 GLN   A HE21 1 
ATOM   1827 H  HE22 . GLN   A 1 116 ? -4.785  48.088 74.330 1.00 29.45  ? 220 GLN   A HE22 1 
ATOM   1828 N  N    . TYR   A 1 117 ? -2.595  51.853 71.262 1.00 11.35  ? 221 TYR   A N    1 
ATOM   1829 C  CA   . TYR   A 1 117 ? -2.970  52.188 69.887 1.00 11.85  ? 221 TYR   A CA   1 
ATOM   1830 C  C    . TYR   A 1 117 ? -3.111  50.924 69.064 1.00 12.08  ? 221 TYR   A C    1 
ATOM   1831 O  O    . TYR   A 1 117 ? -2.125  50.225 68.806 1.00 11.97  ? 221 TYR   A O    1 
ATOM   1832 C  CB   . TYR   A 1 117 ? -1.898  53.060 69.239 1.00 11.32  ? 221 TYR   A CB   1 
ATOM   1833 C  CG   . TYR   A 1 117 ? -2.295  53.667 67.911 1.00 10.97  ? 221 TYR   A CG   1 
ATOM   1834 C  CD1  . TYR   A 1 117 ? -3.021  54.841 67.869 1.00 10.14  ? 221 TYR   A CD1  1 
ATOM   1835 C  CD2  . TYR   A 1 117 ? -1.963  53.079 66.709 1.00 11.39  ? 221 TYR   A CD2  1 
ATOM   1836 C  CE1  . TYR   A 1 117 ? -3.427  55.407 66.675 1.00 10.90  ? 221 TYR   A CE1  1 
ATOM   1837 C  CE2  . TYR   A 1 117 ? -2.313  53.637 65.489 1.00 10.69  ? 221 TYR   A CE2  1 
ATOM   1838 C  CZ   . TYR   A 1 117 ? -2.997  54.850 65.483 1.00 10.84  ? 221 TYR   A CZ   1 
ATOM   1839 O  OH   . TYR   A 1 117 ? -3.363  55.426 64.300 1.00 12.49  ? 221 TYR   A OH   1 
ATOM   1840 H  H    . TYR   A 1 117 ? -1.821  51.219 71.403 1.00 11.77  ? 221 TYR   A H    1 
ATOM   1841 H  HA   . TYR   A 1 117 ? -3.832  52.676 69.888 1.00 11.71  ? 221 TYR   A HA   1 
ATOM   1842 H  HB2  . TYR   A 1 117 ? -1.674  53.784 69.860 1.00 11.36  ? 221 TYR   A HB2  1 
ATOM   1843 H  HB3  . TYR   A 1 117 ? -1.091  52.519 69.111 1.00 11.36  ? 221 TYR   A HB3  1 
ATOM   1844 H  HD1  . TYR   A 1 117 ? -3.276  55.251 68.679 1.00 10.56  ? 221 TYR   A HD1  1 
ATOM   1845 H  HD2  . TYR   A 1 117 ? -1.453  52.286 66.716 1.00 11.11  ? 221 TYR   A HD2  1 
ATOM   1846 H  HE1  . TYR   A 1 117 ? -3.883  56.232 66.672 1.00 10.74  ? 221 TYR   A HE1  1 
ATOM   1847 H  HE2  . TYR   A 1 117 ? -2.040  53.235 64.680 1.00 10.89  ? 221 TYR   A HE2  1 
ATOM   1848 H  HH   . TYR   A 1 117 ? -2.920  54.988 63.526 0.00 17.80  ? 221 TYR   A HH   1 
ATOM   1849 N  N    . ASN   A 1 118 ? -4.377  50.597 68.725 1.00 12.74  ? 222 ASN   A N    1 
ATOM   1850 C  CA   . ASN   A 1 118 ? -4.673  49.379 67.990 1.00 13.33  ? 222 ASN   A CA   1 
ATOM   1851 C  C    . ASN   A 1 118 ? -3.996  49.373 66.622 1.00 11.68  ? 222 ASN   A C    1 
ATOM   1852 O  O    . ASN   A 1 118 ? -3.949  50.398 65.956 1.00 12.44  ? 222 ASN   A O    1 
ATOM   1853 C  CB   . ASN   A 1 118 ? -6.182  49.239 67.769 1.00 14.13  ? 222 ASN   A CB   1 
ATOM   1854 C  CG   . ASN   A 1 118 ? -6.620  47.877 67.227 1.00 21.27  ? 222 ASN   A CG   1 
ATOM   1855 O  OD1  . ASN   A 1 118 ? -7.056  47.699 66.061 1.00 26.23  ? 222 ASN   A OD1  1 
ATOM   1856 N  ND2  . ASN   A 1 118 ? -6.547  46.871 68.072 1.00 21.37  ? 222 ASN   A ND2  1 
ATOM   1857 H  H    . ASN   A 1 118 ? -5.139  51.207 68.985 1.00 12.72  ? 222 ASN   A H    1 
ATOM   1858 H  HA   . ASN   A 1 118 ? -4.361  48.606 68.511 1.00 13.09  ? 222 ASN   A HA   1 
ATOM   1859 H  HB2  . ASN   A 1 118 ? -6.643  49.405 68.614 1.00 15.43  ? 222 ASN   A HB2  1 
ATOM   1860 H  HB3  . ASN   A 1 118 ? -6.467  49.931 67.137 1.00 15.37  ? 222 ASN   A HB3  1 
ATOM   1861 H  HD21 . ASN   A 1 118 ? -6.032  46.930 68.788 1.00 21.29  ? 222 ASN   A HD21 1 
ATOM   1862 H  HD22 . ASN   A 1 118 ? -7.014  46.134 67.925 1.00 21.34  ? 222 ASN   A HD22 1 
ATOM   1863 N  N    . HIS   A 1 119 ? -3.433  48.210 66.228 1.00 11.23  ? 223 HIS   A N    1 
ATOM   1864 C  CA   . HIS   A 1 119 ? -2.746  48.102 64.939 1.00 10.54  ? 223 HIS   A CA   1 
ATOM   1865 C  C    . HIS   A 1 119 ? -3.706  48.335 63.783 1.00 11.18  ? 223 HIS   A C    1 
ATOM   1866 O  O    . HIS   A 1 119 ? -4.630  47.551 63.601 1.00 14.16  ? 223 HIS   A O    1 
ATOM   1867 C  CB   . HIS   A 1 119 ? -2.045  46.760 64.763 1.00 11.52  ? 223 HIS   A CB   1 
ATOM   1868 C  CG   . HIS   A 1 119 ? -0.969  46.472 65.743 1.00 12.40  ? 223 HIS   A CG   1 
ATOM   1869 N  ND1  . HIS   A 1 119 ? 0.093   47.294 65.922 1.00 12.60  ? 223 HIS   A ND1  1 
ATOM   1870 C  CD2  . HIS   A 1 119 ? -0.788  45.454 66.588 1.00 12.28  ? 223 HIS   A CD2  1 
ATOM   1871 C  CE1  . HIS   A 1 119 ? 0.902   46.808 66.834 1.00 13.41  ? 223 HIS   A CE1  1 
ATOM   1872 N  NE2  . HIS   A 1 119 ? 0.379   45.676 67.257 1.00 12.52  ? 223 HIS   A NE2  1 
ATOM   1873 H  H    . HIS   A 1 119 ? -3.486  47.398 66.826 1.00 11.18  ? 223 HIS   A H    1 
ATOM   1874 H  HA   . HIS   A 1 119 ? -2.059  48.808 64.910 1.00 10.98  ? 223 HIS   A HA   1 
ATOM   1875 H  HB2  . HIS   A 1 119 ? -2.719  46.047 64.822 1.00 11.48  ? 223 HIS   A HB2  1 
ATOM   1876 H  HB3  . HIS   A 1 119 ? -1.660  46.726 63.859 1.00 11.48  ? 223 HIS   A HB3  1 
ATOM   1877 H  HD1  . HIS   A 1 119 ? 0.223   48.043 65.495 1.00 12.71  ? 223 HIS   A HD1  1 
ATOM   1878 H  HD2  . HIS   A 1 119 ? -1.354  44.713 66.695 1.00 12.39  ? 223 HIS   A HD2  1 
ATOM   1879 H  HE1  . HIS   A 1 119 ? 1.703   47.202 67.135 1.00 12.96  ? 223 HIS   A HE1  1 
ATOM   1880 H  HE2  . HIS   A 1 119 ? 0.724   45.157 67.866 1.00 12.66  ? 223 HIS   A HE2  1 
ATOM   1881 N  N    . ARG   A 1 120 ? -3.477  49.378 62.992 1.00 11.26  ? 224 ARG   A N    1 
ATOM   1882 C  CA   . ARG   A 1 120 ? -4.198  49.620 61.757 1.00 12.01  ? 224 ARG   A CA   1 
ATOM   1883 C  C    . ARG   A 1 120 ? -3.412  49.049 60.592 1.00 12.57  ? 224 ARG   A C    1 
ATOM   1884 O  O    . ARG   A 1 120 ? -4.026  48.500 59.679 1.00 13.40  ? 224 ARG   A O    1 
ATOM   1885 C  CB   . ARG   A 1 120 ? -4.435  51.113 61.540 1.00 12.03  ? 224 ARG   A CB   1 
ATOM   1886 C  CG   . ARG   A 1 120 ? -5.216  51.791 62.636 1.00 12.22  ? 224 ARG   A CG   1 
ATOM   1887 C  CD   . ARG   A 1 120 ? -5.532  53.220 62.294 1.00 13.16  ? 224 ARG   A CD   1 
ATOM   1888 N  NE   . ARG   A 1 120 ? -6.052  53.965 63.429 1.00 13.75  ? 224 ARG   A NE   1 
ATOM   1889 C  CZ   . ARG   A 1 120 ? -6.253  55.291 63.454 1.00 13.78  ? 224 ARG   A CZ   1 
ATOM   1890 N  NH1  . ARG   A 1 120 ? -5.996  56.042 62.409 1.00 13.54  ? 224 ARG   A NH1  1 
ATOM   1891 N  NH2  . ARG   A 1 120 ? -6.626  55.875 64.587 1.00 14.28  ? 224 ARG   A NH2  1 
ATOM   1892 H  H    . ARG   A 1 120 ? -2.772  50.046 63.268 1.00 11.41  ? 224 ARG   A H    1 
ATOM   1893 H  HA   . ARG   A 1 120 ? -5.070  49.164 61.805 1.00 11.98  ? 224 ARG   A HA   1 
ATOM   1894 H  HB2  . ARG   A 1 120 ? -3.564  51.556 61.455 1.00 12.07  ? 224 ARG   A HB2  1 
ATOM   1895 H  HB3  . ARG   A 1 120 ? -4.914  51.232 60.694 1.00 12.07  ? 224 ARG   A HB3  1 
ATOM   1896 H  HG2  . ARG   A 1 120 ? -6.054  51.304 62.786 1.00 12.39  ? 224 ARG   A HG2  1 
ATOM   1897 H  HG3  . ARG   A 1 120 ? -4.697  51.768 63.468 1.00 12.39  ? 224 ARG   A HG3  1 
ATOM   1898 H  HD2  . ARG   A 1 120 ? -4.718  53.658 61.968 1.00 13.06  ? 224 ARG   A HD2  1 
ATOM   1899 H  HD3  . ARG   A 1 120 ? -6.192  53.238 61.569 1.00 13.06  ? 224 ARG   A HD3  1 
ATOM   1900 H  HE   . ARG   A 1 120 ? -6.185  53.526 64.171 1.00 13.62  ? 224 ARG   A HE   1 
ATOM   1901 H  HH11 . ARG   A 1 120 ? -5.719  55.677 61.660 1.00 13.63  ? 224 ARG   A HH11 1 
ATOM   1902 H  HH12 . ARG   A 1 120 ? -6.135  56.909 62.449 1.00 13.63  ? 224 ARG   A HH12 1 
ATOM   1903 H  HH21 . ARG   A 1 120 ? -6.793  55.383 65.298 1.00 14.08  ? 224 ARG   A HH21 1 
ATOM   1904 H  HH22 . ARG   A 1 120 ? -6.773  56.743 64.607 1.00 14.08  ? 224 ARG   A HH22 1 
ATOM   1905 N  N    . VAL   A 1 121 ? -2.099  49.262 60.588 1.00 11.26  ? 225 VAL   A N    1 
ATOM   1906 C  CA   . VAL   A 1 121 ? -1.162  48.617 59.670 1.00 11.61  ? 225 VAL   A CA   1 
ATOM   1907 C  C    . VAL   A 1 121 ? -0.824  47.247 60.233 1.00 13.21  ? 225 VAL   A C    1 
ATOM   1908 O  O    . VAL   A 1 121 ? -0.222  47.163 61.304 1.00 14.25  ? 225 VAL   A O    1 
ATOM   1909 C  CB   . VAL   A 1 121 ? 0.077   49.494 59.467 1.00 12.07  ? 225 VAL   A CB   1 
ATOM   1910 C  CG1  . VAL   A 1 121 ? 1.172   48.770 58.702 1.00 13.35  ? 225 VAL   A CG1  1 
ATOM   1911 C  CG2  . VAL   A 1 121 ? -0.269  50.844 58.821 1.00 13.45  ? 225 VAL   A CG2  1 
ATOM   1912 H  H    . VAL   A 1 121 ? -1.724  49.922 61.253 1.00 11.65  ? 225 VAL   A H    1 
ATOM   1913 H  HA   . VAL   A 1 121 ? -1.603  48.501 58.809 1.00 11.93  ? 225 VAL   A HA   1 
ATOM   1914 H  HB   . VAL   A 1 121 ? 0.436   49.689 60.368 1.00 12.47  ? 225 VAL   A HB   1 
ATOM   1915 H  HG11 . VAL   A 1 121 ? 1.679   48.207 59.313 1.00 12.94  ? 225 VAL   A HG11 1 
ATOM   1916 H  HG12 . VAL   A 1 121 ? 1.770   49.420 58.294 1.00 12.94  ? 225 VAL   A HG12 1 
ATOM   1917 H  HG13 . VAL   A 1 121 ? 0.774   48.218 58.008 1.00 12.94  ? 225 VAL   A HG13 1 
ATOM   1918 H  HG21 . VAL   A 1 121 ? -0.789  50.693 58.013 1.00 13.01  ? 225 VAL   A HG21 1 
ATOM   1919 H  HG22 . VAL   A 1 121 ? 0.551   51.316 58.594 1.00 13.00  ? 225 VAL   A HG22 1 
ATOM   1920 H  HG23 . VAL   A 1 121 ? -0.788  51.379 59.446 1.00 13.00  ? 225 VAL   A HG23 1 
ATOM   1921 N  N    . LYS   A 1 122 ? -1.240  46.188 59.542 1.00 12.01  ? 226 LYS   A N    1 
ATOM   1922 C  CA   . LYS   A 1 122 ? -1.164  44.859 60.119 1.00 12.87  ? 226 LYS   A CA   1 
ATOM   1923 C  C    . LYS   A 1 122 ? 0.050   44.045 59.685 1.00 12.08  ? 226 LYS   A C    1 
ATOM   1924 O  O    . LYS   A 1 122 ? 0.265   42.998 60.299 1.00 13.82  ? 226 LYS   A O    1 
ATOM   1925 C  CB   . LYS   A 1 122 ? -2.460  44.128 59.836 1.00 16.28  ? 226 LYS   A CB   1 
ATOM   1926 C  CG   . LYS   A 1 122 ? -3.644  44.913 60.385 1.00 16.86  ? 226 LYS   A CG   1 
ATOM   1927 C  CD   . LYS   A 1 122 ? -4.932  44.262 60.257 1.00 16.39  ? 226 LYS   A CD   1 
ATOM   1928 C  CE   . LYS   A 1 122 ? -6.049  45.173 60.674 1.00 15.75  ? 226 LYS   A CE   1 
ATOM   1929 N  NZ   . LYS   A 1 122 ? -6.188  45.205 62.145 1.00 16.12  ? 226 LYS   A NZ   1 
ATOM   1930 H  H    . LYS   A 1 122 ? -1.610  46.301 58.609 1.00 12.48  ? 226 LYS   A H    1 
ATOM   1931 H  HA   . LYS   A 1 122 ? -1.102  44.970 61.096 1.00 13.14  ? 226 LYS   A HA   1 
ATOM   1932 H  HB2  . LYS   A 1 122 ? -2.564  44.014 58.868 1.00 15.53  ? 226 LYS   A HB2  1 
ATOM   1933 H  HB3  . LYS   A 1 122 ? -2.433  43.242 60.255 1.00 15.52  ? 226 LYS   A HB3  1 
ATOM   1934 H  HG2  . LYS   A 1 122 ? -3.479  45.099 61.333 1.00 16.60  ? 226 LYS   A HG2  1 
ATOM   1935 H  HG3  . LYS   A 1 122 ? -3.684  45.775 59.920 1.00 16.59  ? 226 LYS   A HG3  1 
ATOM   1936 H  HD2  . LYS   A 1 122 ? -5.067  43.993 59.323 1.00 16.34  ? 226 LYS   A HD2  1 
ATOM   1937 H  HD3  . LYS   A 1 122 ? -4.946  43.456 60.815 1.00 16.34  ? 226 LYS   A HD3  1 
ATOM   1938 H  HE2  . LYS   A 1 122 ? -5.877  46.078 60.350 1.00 15.99  ? 226 LYS   A HE2  1 
ATOM   1939 H  HE3  . LYS   A 1 122 ? -6.887  44.864 60.281 1.00 15.98  ? 226 LYS   A HE3  1 
ATOM   1940 H  HZ1  . LYS   A 1 122 ? -6.293  44.362 62.461 1.00 16.01  ? 226 LYS   A HZ1  1 
ATOM   1941 H  HZ2  . LYS   A 1 122 ? -6.913  45.699 62.375 1.00 16.01  ? 226 LYS   A HZ2  1 
ATOM   1942 H  HZ3  . LYS   A 1 122 ? -5.448  45.573 62.518 1.00 16.01  ? 226 LYS   A HZ3  1 
ATOM   1943 N  N    . LYS   A 1 123 ? 0.830   44.538 58.731 1.00 12.47  ? 227 LYS   A N    1 
ATOM   1944 C  CA   . LYS   A 1 123 ? 2.051   43.867 58.304 1.00 12.62  ? 227 LYS   A CA   1 
ATOM   1945 C  C    . LYS   A 1 123 ? 3.177   44.326 59.225 1.00 12.52  ? 227 LYS   A C    1 
ATOM   1946 O  O    . LYS   A 1 123 ? 3.986   45.200 58.855 1.00 11.77  ? 227 LYS   A O    1 
ATOM   1947 C  CB   . LYS   A 1 123 ? 2.275   44.178 56.818 1.00 14.20  ? 227 LYS   A CB   1 
ATOM   1948 C  CG   . LYS   A 1 123 ? 1.312   43.454 55.891 1.00 16.10  ? 227 LYS   A CG   1 
ATOM   1949 C  CD   . LYS   A 1 123 ? 1.515   43.870 54.461 1.00 19.35  ? 227 LYS   A CD   1 
ATOM   1950 C  CE   . LYS   A 1 123 ? 0.638   43.078 53.500 1.00 22.37  ? 227 LYS   A CE   1 
ATOM   1951 N  NZ   . LYS   A 1 123 ? 0.449   43.828 52.222 1.00 26.85  ? 227 LYS   A NZ   1 
ATOM   1952 H  H    . LYS   A 1 123 ? 0.573   45.405 58.283 1.00 12.42  ? 227 LYS   A H    1 
ATOM   1953 H  HA   . LYS   A 1 123 ? 1.931   42.896 58.410 1.00 12.91  ? 227 LYS   A HA   1 
ATOM   1954 H  HB2  . LYS   A 1 123 ? 2.181   45.144 56.680 1.00 14.22  ? 227 LYS   A HB2  1 
ATOM   1955 H  HB3  . LYS   A 1 123 ? 3.191   43.927 56.579 1.00 14.23  ? 227 LYS   A HB3  1 
ATOM   1956 H  HG2  . LYS   A 1 123 ? 1.453   42.486 55.971 1.00 16.32  ? 227 LYS   A HG2  1 
ATOM   1957 H  HG3  . LYS   A 1 123 ? 0.391   43.654 56.162 1.00 16.32  ? 227 LYS   A HG3  1 
ATOM   1958 H  HD2  . LYS   A 1 123 ? 1.307   44.825 54.371 1.00 19.18  ? 227 LYS   A HD2  1 
ATOM   1959 H  HD3  . LYS   A 1 123 ? 2.456   43.740 54.217 1.00 19.17  ? 227 LYS   A HD3  1 
ATOM   1960 H  HE2  . LYS   A 1 123 ? 1.053   42.216 53.307 1.00 22.57  ? 227 LYS   A HE2  1 
ATOM   1961 H  HE3  . LYS   A 1 123 ? -0.234  42.915 53.907 1.00 22.55  ? 227 LYS   A HE3  1 
ATOM   1962 H  HZ1  . LYS   A 1 123 ? 0.003   44.602 52.383 1.00 25.36  ? 227 LYS   A HZ1  1 
ATOM   1963 H  HZ2  . LYS   A 1 123 ? -0.029  43.326 51.638 1.00 25.38  ? 227 LYS   A HZ2  1 
ATOM   1964 H  HZ3  . LYS   A 1 123 ? 1.257   44.021 51.857 1.00 25.38  ? 227 LYS   A HZ3  1 
ATOM   1965 N  N    . LEU   A 1 124 ? 3.150   43.842 60.473 1.00 12.06  ? 228 LEU   A N    1 
ATOM   1966 C  CA   . LEU   A 1 124 ? 4.073   44.272 61.524 1.00 13.64  ? 228 LEU   A CA   1 
ATOM   1967 C  C    . LEU   A 1 124 ? 5.524   44.141 61.091 1.00 13.37  ? 228 LEU   A C    1 
ATOM   1968 O  O    . LEU   A 1 124 ? 6.326   45.061 61.377 1.00 13.18  ? 228 LEU   A O    1 
ATOM   1969 C  CB   . LEU   A 1 124 ? 3.813   43.513 62.824 1.00 17.81  ? 228 LEU   A CB   1 
ATOM   1970 C  CG   . LEU   A 1 124 ? 2.458   43.739 63.524 1.00 15.27  ? 228 LEU   A CG   1 
ATOM   1971 C  CD1  . LEU   A 1 124 ? 2.466   43.048 64.872 1.00 15.95  ? 228 LEU   A CD1  1 
ATOM   1972 C  CD2  . LEU   A 1 124 ? 2.065   45.180 63.603 1.00 14.11  ? 228 LEU   A CD2  1 
ATOM   1973 H  H    . LEU   A 1 124 ? 2.464   43.136 60.701 1.00 12.55  ? 228 LEU   A H    1 
ATOM   1974 H  HA   . LEU   A 1 124 ? 3.902   45.228 61.686 1.00 13.97  ? 228 LEU   A HA   1 
ATOM   1975 H  HB2  . LEU   A 1 124 ? 3.901   42.558 62.636 1.00 16.13  ? 228 LEU   A HB2  1 
ATOM   1976 H  HB3  . LEU   A 1 124 ? 4.522   43.749 63.456 1.00 16.12  ? 228 LEU   A HB3  1 
ATOM   1977 H  HG   . LEU   A 1 124 ? 1.772   43.286 62.974 1.00 15.61  ? 228 LEU   A HG   1 
ATOM   1978 H  HD11 . LEU   A 1 124 ? 2.697   42.110 64.756 1.00 15.73  ? 228 LEU   A HD11 1 
ATOM   1979 H  HD12 . LEU   A 1 124 ? 1.584   43.116 65.278 1.00 15.73  ? 228 LEU   A HD12 1 
ATOM   1980 H  HD13 . LEU   A 1 124 ? 3.122   43.473 65.452 1.00 15.73  ? 228 LEU   A HD13 1 
ATOM   1981 H  HD21 . LEU   A 1 124 ? 2.833   45.713 63.872 1.00 14.46  ? 228 LEU   A HD21 1 
ATOM   1982 H  HD22 . LEU   A 1 124 ? 1.352   45.287 64.257 1.00 14.46  ? 228 LEU   A HD22 1 
ATOM   1983 H  HD23 . LEU   A 1 124 ? 1.752   45.480 62.732 1.00 14.46  ? 228 LEU   A HD23 1 
ATOM   1984 N  N    . ASN   A 1 125 ? 5.891   43.060 60.389 1.00 13.41  ? 229 ASN   A N    1 
ATOM   1985 C  CA   . ASN   A 1 125 ? 7.275   42.893 60.025 1.00 14.28  ? 229 ASN   A CA   1 
ATOM   1986 C  C    . ASN   A 1 125 ? 7.726   43.814 58.906 1.00 14.20  ? 229 ASN   A C    1 
ATOM   1987 O  O    . ASN   A 1 125 ? 8.895   43.746 58.527 1.00 14.39  ? 229 ASN   A O    1 
ATOM   1988 C  CB   . ASN   A 1 125 ? 7.643   41.434 59.757 1.00 18.13  ? 229 ASN   A CB   1 
ATOM   1989 C  CG   . ASN   A 1 125 ? 6.981   40.827 58.565 1.00 19.19  ? 229 ASN   A CG   1 
ATOM   1990 O  OD1  . ASN   A 1 125 ? 7.213   39.627 58.315 1.00 32.07  ? 229 ASN   A OD1  1 
ATOM   1991 N  ND2  . ASN   A 1 125 ? 6.150   41.509 57.837 1.00 19.17  ? 229 ASN   A ND2  1 
ATOM   1992 H  H    . ASN   A 1 125 ? 5.216   42.350 60.149 1.00 13.63  ? 229 ASN   A H    1 
ATOM   1993 H  HA   . ASN   A 1 125 ? 7.798   43.148 60.820 1.00 14.74  ? 229 ASN   A HA   1 
ATOM   1994 H  HB2  . ASN   A 1 125 ? 8.613   41.375 59.638 1.00 17.35  ? 229 ASN   A HB2  1 
ATOM   1995 H  HB3  . ASN   A 1 125 ? 7.409   40.906 60.547 1.00 17.36  ? 229 ASN   A HB3  1 
ATOM   1996 H  HD21 . ASN   A 1 125 ? 6.235   41.510 56.955 1.00 19.19  ? 229 ASN   A HD21 1 
ATOM   1997 H  HD22 . ASN   A 1 125 ? 5.500   41.968 58.214 1.00 19.22  ? 229 ASN   A HD22 1 
ATOM   1998 N  N    . GLU   A 1 126 ? 6.805   44.679 58.380 1.00 12.12  ? 230 GLU   A N    1 
ATOM   1999 C  CA   . GLU   A 1 126 ? 7.224   45.661 57.386 1.00 12.75  ? 230 GLU   A CA   1 
ATOM   2000 C  C    . GLU   A 1 126 ? 7.335   47.056 57.969 1.00 11.23  ? 230 GLU   A C    1 
ATOM   2001 O  O    . GLU   A 1 126 ? 7.718   47.978 57.271 1.00 12.59  ? 230 GLU   A O    1 
ATOM   2002 C  CB   . GLU   A 1 126 ? 6.236   45.694 56.221 1.00 12.67  ? 230 GLU   A CB   1 
ATOM   2003 C  CG   . GLU   A 1 126 ? 6.163   44.384 55.493 1.00 14.05  ? 230 GLU   A CG   1 
ATOM   2004 C  CD   . GLU   A 1 126 ? 5.355   44.389 54.225 1.00 16.40  ? 230 GLU   A CD   1 
ATOM   2005 O  OE1  . GLU   A 1 126 ? 4.787   45.404 53.838 1.00 16.99  ? 230 GLU   A OE1  1 
ATOM   2006 O  OE2  . GLU   A 1 126 ? 5.300   43.293 53.601 1.00 22.85  ? 230 GLU   A OE2  1 
ATOM   2007 H  H    . GLU   A 1 126 ? 5.837   44.631 58.646 1.00 12.73  ? 230 GLU   A H    1 
ATOM   2008 H  HA   . GLU   A 1 126 ? 8.106   45.397 57.039 1.00 12.32  ? 230 GLU   A HA   1 
ATOM   2009 H  HB2  . GLU   A 1 126 ? 5.347   45.922 56.565 1.00 13.01  ? 230 GLU   A HB2  1 
ATOM   2010 H  HB3  . GLU   A 1 126 ? 6.509   46.396 55.593 1.00 13.01  ? 230 GLU   A HB3  1 
ATOM   2011 H  HG2  . GLU   A 1 126 ? 7.074   44.095 55.274 1.00 14.22  ? 230 GLU   A HG2  1 
ATOM   2012 H  HG3  . GLU   A 1 126 ? 5.780   43.710 56.095 1.00 14.22  ? 230 GLU   A HG3  1 
ATOM   2013 N  N    . ILE   A 1 127 ? 7.115   47.185 59.292 1.00 11.46  ? 231 ILE   A N    1 
ATOM   2014 C  CA   . ILE   A 1 127 ? 7.300   48.450 59.982 1.00 12.32  ? 231 ILE   A CA   1 
ATOM   2015 C  C    . ILE   A 1 127 ? 8.747   48.469 60.467 1.00 11.85  ? 231 ILE   A C    1 
ATOM   2016 O  O    . ILE   A 1 127 ? 9.051   47.960 61.574 1.00 14.46  ? 231 ILE   A O    1 
ATOM   2017 C  CB   . ILE   A 1 127 ? 6.276   48.557 61.129 1.00 10.79  ? 231 ILE   A CB   1 
ATOM   2018 C  CG1  . ILE   A 1 127 ? 4.838   48.431 60.660 1.00 11.46  ? 231 ILE   A CG1  1 
ATOM   2019 C  CG2  . ILE   A 1 127 ? 6.477   49.876 61.862 1.00 11.51  ? 231 ILE   A CG2  1 
ATOM   2020 C  CD1  . ILE   A 1 127 ? 3.835   48.285 61.821 1.00 10.85  ? 231 ILE   A CD1  1 
ATOM   2021 H  H    . ILE   A 1 127 ? 6.810   46.387 59.826 1.00 11.62  ? 231 ILE   A H    1 
ATOM   2022 H  HA   . ILE   A 1 127 ? 7.156   49.182 59.359 1.00 11.76  ? 231 ILE   A HA   1 
ATOM   2023 H  HB   . ILE   A 1 127 ? 6.453   47.821 61.766 1.00 11.34  ? 231 ILE   A HB   1 
ATOM   2024 H  HG12 . ILE   A 1 127 ? 4.604   49.228 60.137 1.00 11.16  ? 231 ILE   A HG12 1 
ATOM   2025 H  HG13 . ILE   A 1 127 ? 4.760   47.649 60.074 1.00 11.16  ? 231 ILE   A HG13 1 
ATOM   2026 H  HG21 . ILE   A 1 127 ? 7.406   49.964 62.133 1.00 11.29  ? 231 ILE   A HG21 1 
ATOM   2027 H  HG22 . ILE   A 1 127 ? 5.909   49.901 62.651 1.00 11.28  ? 231 ILE   A HG22 1 
ATOM   2028 H  HG23 . ILE   A 1 127 ? 6.242   50.614 61.273 1.00 11.28  ? 231 ILE   A HG23 1 
ATOM   2029 H  HD11 . ILE   A 1 127 ? 4.180   47.648 62.471 1.00 11.03  ? 231 ILE   A HD11 1 
ATOM   2030 H  HD12 . ILE   A 1 127 ? 2.983   47.964 61.476 1.00 11.03  ? 231 ILE   A HD12 1 
ATOM   2031 H  HD13 . ILE   A 1 127 ? 3.705   49.147 62.251 1.00 11.03  ? 231 ILE   A HD13 1 
ATOM   2032 N  N    . SER   A 1 128 ? 9.622   49.014 59.618 1.00 11.75  ? 232 SER   A N    1 
ATOM   2033 C  CA   A SER   A 1 128 ? 11.041  48.725 59.669 0.50 12.67  ? 232 SER   A CA   1 
ATOM   2034 C  CA   B SER   A 1 128 ? 11.045  48.711 59.686 0.50 12.77  ? 232 SER   A CA   1 
ATOM   2035 C  C    . SER   A 1 128 ? 11.876  49.909 60.131 1.00 12.47  ? 232 SER   A C    1 
ATOM   2036 O  O    . SER   A 1 128 ? 13.105  49.788 60.206 1.00 11.85  ? 232 SER   A O    1 
ATOM   2037 C  CB   A SER   A 1 128 ? 11.503  48.197 58.298 0.50 15.14  ? 232 SER   A CB   1 
ATOM   2038 C  CB   B SER   A 1 128 ? 11.560  48.113 58.388 0.50 15.70  ? 232 SER   A CB   1 
ATOM   2039 O  OG   A SER   A 1 128 ? 10.926  46.920 58.052 0.50 18.89  ? 232 SER   A OG   1 
ATOM   2040 O  OG   B SER   A 1 128 ? 11.227  48.928 57.307 0.50 18.69  ? 232 SER   A OG   1 
ATOM   2041 H  H    . SER   A 1 128 ? 9.289   49.650 58.908 1.00 12.13  ? 232 SER   A H    1 
ATOM   2042 H  HA   . SER   A 1 128 ? 11.162  48.004 60.360 1.00 13.15  ? 232 SER   A HA   1 
ATOM   2043 H  HB2  A SER   A 1 128 ? 11.229  48.826 57.593 0.50 15.30  ? 232 SER   A HB2  1 
ATOM   2044 H  HB2  B SER   A 1 128 ? 12.535  48.012 58.436 0.50 15.57  ? 232 SER   A HB2  1 
ATOM   2045 H  HB3  A SER   A 1 128 ? 12.483  48.124 58.284 0.50 15.29  ? 232 SER   A HB3  1 
ATOM   2046 H  HB3  B SER   A 1 128 ? 11.165  47.221 58.261 0.50 15.58  ? 232 SER   A HB3  1 
ATOM   2047 H  HG   A SER   A 1 128 ? 11.161  46.283 58.702 0.00 17.80  ? 232 SER   A HG   1 
ATOM   2048 H  HG   B SER   A 1 128 ? 11.832  49.512 57.213 0.50 17.70  ? 232 SER   A HG   1 
ATOM   2049 N  N    . LYS   A 1 129 ? 11.232  51.036 60.477 1.00 10.97  ? 233 LYS   A N    1 
ATOM   2050 C  CA   . LYS   A 1 129 ? 12.017  52.129 61.012 1.00 12.95  ? 233 LYS   A CA   1 
ATOM   2051 C  C    . LYS   A 1 129 ? 11.177  52.938 62.001 1.00 12.15  ? 233 LYS   A C    1 
ATOM   2052 O  O    . LYS   A 1 129 ? 9.950   53.008 61.866 1.00 11.91  ? 233 LYS   A O    1 
ATOM   2053 C  CB   . LYS   A 1 129 ? 12.587  53.055 59.941 1.00 19.33  ? 233 LYS   A CB   1 
ATOM   2054 C  CG   . LYS   A 1 129 ? 11.803  53.415 58.706 1.00 30.11  ? 233 LYS   A CG   1 
ATOM   2055 C  CD   . LYS   A 1 129 ? 12.808  54.120 57.726 1.00 25.16  ? 233 LYS   A CD   1 
ATOM   2056 C  CE   . LYS   A 1 129 ? 12.106  55.113 56.807 1.00 38.46  ? 233 LYS   A CE   1 
ATOM   2057 H  H    . LYS   A 1 129 ? 10.233  51.135 60.373 1.00 11.76  ? 233 LYS   A H    1 
ATOM   2058 H  HA   . LYS   A 1 129 ? 12.773  51.740 61.509 1.00 13.38  ? 233 LYS   A HA   1 
ATOM   2059 N  N    . LEU   A 1 130 ? 11.858  53.541 62.977 1.00 10.80  ? 234 LEU   A N    1 
ATOM   2060 C  CA   . LEU   A 1 130 ? 11.231  54.510 63.884 1.00 11.10  ? 234 LEU   A CA   1 
ATOM   2061 C  C    . LEU   A 1 130 ? 11.947  55.827 63.752 1.00 12.16  ? 234 LEU   A C    1 
ATOM   2062 O  O    . LEU   A 1 130 ? 13.135  55.915 64.030 1.00 12.22  ? 234 LEU   A O    1 
ATOM   2063 C  CB   . LEU   A 1 130 ? 11.349  54.039 65.330 1.00 12.21  ? 234 LEU   A CB   1 
ATOM   2064 C  CG   . LEU   A 1 130 ? 10.956  55.068 66.382 1.00 12.21  ? 234 LEU   A CG   1 
ATOM   2065 C  CD1  . LEU   A 1 130 ? 9.511   55.459 66.276 1.00 13.26  ? 234 LEU   A CD1  1 
ATOM   2066 C  CD2  . LEU   A 1 130 ? 11.298  54.556 67.793 1.00 14.22  ? 234 LEU   A CD2  1 
ATOM   2067 H  H    . LEU   A 1 130 ? 12.838  53.328 63.100 1.00 11.19  ? 234 LEU   A H    1 
ATOM   2068 H  HA   . LEU   A 1 130 ? 10.285  54.620 63.641 1.00 11.44  ? 234 LEU   A HA   1 
ATOM   2069 H  HB2  . LEU   A 1 130 ? 10.785  53.248 65.443 1.00 11.94  ? 234 LEU   A HB2  1 
ATOM   2070 H  HB3  . LEU   A 1 130 ? 12.274  53.767 65.491 1.00 11.94  ? 234 LEU   A HB3  1 
ATOM   2071 H  HG   . LEU   A 1 130 ? 11.496  55.881 66.225 1.00 12.77  ? 234 LEU   A HG   1 
ATOM   2072 H  HD11 . LEU   A 1 130 ? 9.396   56.078 65.533 1.00 12.93  ? 234 LEU   A HD11 1 
ATOM   2073 H  HD12 . LEU   A 1 130 ? 9.230   55.889 67.102 1.00 12.93  ? 234 LEU   A HD12 1 
ATOM   2074 H  HD13 . LEU   A 1 130 ? 8.969   54.666 66.123 1.00 12.93  ? 234 LEU   A HD13 1 
ATOM   2075 H  HD21 . LEU   A 1 130 ? 10.667  53.861 68.049 1.00 13.57  ? 234 LEU   A HD21 1 
ATOM   2076 H  HD22 . LEU   A 1 130 ? 11.245  55.291 68.427 1.00 13.58  ? 234 LEU   A HD22 1 
ATOM   2077 H  HD23 . LEU   A 1 130 ? 12.200  54.190 67.796 1.00 13.56  ? 234 LEU   A HD23 1 
ATOM   2078 N  N    . GLY   A 1 131 ? 11.202  56.867 63.403 1.00 10.61  ? 235 GLY   A N    1 
ATOM   2079 C  CA   . GLY   A 1 131 ? 11.693  58.231 63.364 1.00 11.05  ? 235 GLY   A CA   1 
ATOM   2080 C  C    . GLY   A 1 131 ? 11.373  58.943 64.655 1.00 11.25  ? 235 GLY   A C    1 
ATOM   2081 O  O    . GLY   A 1 131 ? 10.251  58.821 65.173 1.00 13.29  ? 235 GLY   A O    1 
ATOM   2082 H  H    . GLY   A 1 131 ? 10.239  56.704 63.146 1.00 11.06  ? 235 GLY   A H    1 
ATOM   2083 H  HA2  . GLY   A 1 131 ? 12.671  58.224 63.217 1.00 11.01  ? 235 GLY   A HA2  1 
ATOM   2084 H  HA3  . GLY   A 1 131 ? 11.267  58.708 62.609 1.00 11.00  ? 235 GLY   A HA3  1 
ATOM   2085 N  N    . ILE   A 1 132 ? 12.345  59.692 65.185 1.00 11.78  ? 236 ILE   A N    1 
ATOM   2086 C  CA   . ILE   A 1 132 ? 12.144  60.442 66.427 1.00 12.68  ? 236 ILE   A CA   1 
ATOM   2087 C  C    . ILE   A 1 132 ? 12.476  61.895 66.109 1.00 14.07  ? 236 ILE   A C    1 
ATOM   2088 O  O    . ILE   A 1 132 ? 13.599  62.194 65.671 1.00 13.84  ? 236 ILE   A O    1 
ATOM   2089 C  CB   . ILE   A 1 132 ? 13.074  59.916 67.550 1.00 12.88  ? 236 ILE   A CB   1 
ATOM   2090 C  CG1  . ILE   A 1 132 ? 12.851  58.423 67.774 1.00 12.61  ? 236 ILE   A CG1  1 
ATOM   2091 C  CG2  . ILE   A 1 132 ? 12.833  60.754 68.813 1.00 15.01  ? 236 ILE   A CG2  1 
ATOM   2092 C  CD1  . ILE   A 1 132 ? 13.942  57.751 68.566 1.00 15.05  ? 236 ILE   A CD1  1 
ATOM   2093 H  H    . ILE   A 1 132 ? 13.241  59.747 64.723 1.00 11.85  ? 236 ILE   A H    1 
ATOM   2094 H  HA   . ILE   A 1 132 ? 11.216  60.370 66.711 1.00 12.80  ? 236 ILE   A HA   1 
ATOM   2095 H  HB   . ILE   A 1 132 ? 14.011  60.049 67.261 1.00 13.17  ? 236 ILE   A HB   1 
ATOM   2096 H  HG12 . ILE   A 1 132 ? 12.000  58.300 68.245 1.00 13.23  ? 236 ILE   A HG12 1 
ATOM   2097 H  HG13 . ILE   A 1 132 ? 12.780  57.978 66.904 1.00 13.21  ? 236 ILE   A HG13 1 
ATOM   2098 H  HG21 . ILE   A 1 132 ? 13.331  61.588 68.752 1.00 14.32  ? 236 ILE   A HG21 1 
ATOM   2099 H  HG22 . ILE   A 1 132 ? 13.132  60.259 69.595 1.00 14.32  ? 236 ILE   A HG22 1 
ATOM   2100 H  HG23 . ILE   A 1 132 ? 11.884  60.951 68.900 1.00 14.31  ? 236 ILE   A HG23 1 
ATOM   2101 H  HD11 . ILE   A 1 132 ? 14.811  58.040 68.236 1.00 14.25  ? 236 ILE   A HD11 1 
ATOM   2102 H  HD12 . ILE   A 1 132 ? 13.866  56.785 68.470 1.00 14.25  ? 236 ILE   A HD12 1 
ATOM   2103 H  HD13 . ILE   A 1 132 ? 13.858  57.989 69.505 1.00 14.25  ? 236 ILE   A HD13 1 
ATOM   2104 N  N    . SER   A 1 133 ? 11.524  62.793 66.316 1.00 13.01  ? 237 SER   A N    1 
ATOM   2105 C  CA   . SER   A 1 133 ? 11.711  64.185 65.894 1.00 14.31  ? 237 SER   A CA   1 
ATOM   2106 C  C    . SER   A 1 133 ? 11.074  65.143 66.896 1.00 14.36  ? 237 SER   A C    1 
ATOM   2107 O  O    . SER   A 1 133 ? 10.324  64.725 67.783 1.00 13.51  ? 237 SER   A O    1 
ATOM   2108 C  CB   . SER   A 1 133 ? 11.233  64.439 64.491 1.00 17.42  ? 237 SER   A CB   1 
ATOM   2109 O  OG   . SER   A 1 133 ? 9.852   64.158 64.386 1.00 19.08  ? 237 SER   A OG   1 
ATOM   2110 H  H    . SER   A 1 133 ? 10.661  62.526 66.770 1.00 13.55  ? 237 SER   A H    1 
ATOM   2111 H  HA   . SER   A 1 133 ? 12.687  64.364 65.907 1.00 14.62  ? 237 SER   A HA   1 
ATOM   2112 H  HB2  . SER   A 1 133 ? 11.399  65.378 64.250 1.00 16.98  ? 237 SER   A HB2  1 
ATOM   2113 H  HB3  . SER   A 1 133 ? 11.732  63.868 63.866 1.00 16.99  ? 237 SER   A HB3  1 
ATOM   2114 H  HG   . SER   A 1 133 ? 9.480   64.601 63.591 0.00 17.80  ? 237 SER   A HG   1 
ATOM   2115 N  N    . GLY   A 1 134 ? 11.386  66.423 66.722 1.00 14.37  ? 238 GLY   A N    1 
ATOM   2116 C  CA   . GLY   A 1 134 ? 10.743  67.486 67.485 1.00 15.66  ? 238 GLY   A CA   1 
ATOM   2117 C  C    . GLY   A 1 134 ? 11.648  68.043 68.580 1.00 15.77  ? 238 GLY   A C    1 
ATOM   2118 O  O    . GLY   A 1 134 ? 12.884  67.995 68.497 1.00 15.00  ? 238 GLY   A O    1 
ATOM   2119 H  H    . GLY   A 1 134 ? 12.095  66.672 66.047 1.00 14.67  ? 238 GLY   A H    1 
ATOM   2120 H  HA2  . GLY   A 1 134 ? 10.495  68.218 66.869 1.00 15.39  ? 238 GLY   A HA2  1 
ATOM   2121 H  HA3  . GLY   A 1 134 ? 9.911   67.137 67.892 1.00 15.36  ? 238 GLY   A HA3  1 
ATOM   2122 N  N    . ASP   A 1 135 ? 10.996  68.632 69.587 1.00 14.22  ? 239 ASP   A N    1 
ATOM   2123 C  CA   . ASP   A 1 135 ? 11.669  69.564 70.487 1.00 14.48  ? 239 ASP   A CA   1 
ATOM   2124 C  C    . ASP   A 1 135 ? 12.276  68.849 71.682 1.00 16.14  ? 239 ASP   A C    1 
ATOM   2125 O  O    . ASP   A 1 135 ? 11.883  69.072 72.823 1.00 14.81  ? 239 ASP   A O    1 
ATOM   2126 C  CB   . ASP   A 1 135 ? 10.742  70.733 70.850 1.00 15.48  ? 239 ASP   A CB   1 
ATOM   2127 C  CG   . ASP   A 1 135 ? 10.217  71.493 69.644 1.00 18.79  ? 239 ASP   A CG   1 
ATOM   2128 O  OD1  . ASP   A 1 135 ? 10.998  71.661 68.689 1.00 21.27  ? 239 ASP   A OD1  1 
ATOM   2129 O  OD2  . ASP   A 1 135 ? 9.043   71.904 69.680 1.00 18.64  ? 239 ASP   A OD2  1 
ATOM   2130 H  H    . ASP   A 1 135 ? 10.017  68.431 69.734 1.00 14.64  ? 239 ASP   A H    1 
ATOM   2131 H  HA   . ASP   A 1 135 ? 12.418  69.957 69.982 1.00 14.93  ? 239 ASP   A HA   1 
ATOM   2132 H  HB2  . ASP   A 1 135 ? 9.977   70.388 71.355 1.00 15.96  ? 239 ASP   A HB2  1 
ATOM   2133 H  HB3  . ASP   A 1 135 ? 11.228  71.360 71.423 1.00 15.95  ? 239 ASP   A HB3  1 
ATOM   2134 N  N    . ILE   A 1 136 ? 13.259  67.985 71.397 1.00 14.19  ? 240 ILE   A N    1 
ATOM   2135 C  CA   . ILE   A 1 136 ? 13.931  67.196 72.413 1.00 14.96  ? 240 ILE   A CA   1 
ATOM   2136 C  C    . ILE   A 1 136 ? 15.433  67.194 72.188 1.00 15.67  ? 240 ILE   A C    1 
ATOM   2137 O  O    . ILE   A 1 136 ? 15.935  67.356 71.062 1.00 17.31  ? 240 ILE   A O    1 
ATOM   2138 C  CB   . ILE   A 1 136 ? 13.435  65.747 72.476 1.00 15.86  ? 240 ILE   A CB   1 
ATOM   2139 C  CG1  . ILE   A 1 136 ? 13.689  64.976 71.184 1.00 17.01  ? 240 ILE   A CG1  1 
ATOM   2140 C  CG2  . ILE   A 1 136 ? 11.961  65.726 72.846 1.00 16.97  ? 240 ILE   A CG2  1 
ATOM   2141 C  CD1  . ILE   A 1 136 ? 13.444  63.497 71.311 1.00 18.58  ? 240 ILE   A CD1  1 
ATOM   2142 H  H    . ILE   A 1 136 ? 13.557  67.883 70.439 1.00 14.81  ? 240 ILE   A H    1 
ATOM   2143 H  HA   . ILE   A 1 136 ? 13.757  67.608 73.277 1.00 15.11  ? 240 ILE   A HA   1 
ATOM   2144 H  HB   . ILE   A 1 136 ? 13.934  65.291 73.198 1.00 16.10  ? 240 ILE   A HB   1 
ATOM   2145 H  HG12 . ILE   A 1 136 ? 13.105  65.334 70.483 1.00 17.08  ? 240 ILE   A HG12 1 
ATOM   2146 H  HG13 . ILE   A 1 136 ? 14.617  65.116 70.905 1.00 17.08  ? 240 ILE   A HG13 1 
ATOM   2147 H  HG21 . ILE   A 1 136 ? 11.796  66.357 73.568 1.00 16.61  ? 240 ILE   A HG21 1 
ATOM   2148 H  HG22 . ILE   A 1 136 ? 11.709  64.832 73.136 1.00 16.62  ? 240 ILE   A HG22 1 
ATOM   2149 H  HG23 . ILE   A 1 136 ? 11.428  65.975 72.071 1.00 16.62  ? 240 ILE   A HG23 1 
ATOM   2150 H  HD11 . ILE   A 1 136 ? 13.825  63.174 72.146 1.00 18.07  ? 240 ILE   A HD11 1 
ATOM   2151 H  HD12 . ILE   A 1 136 ? 13.861  63.033 70.565 1.00 18.07  ? 240 ILE   A HD12 1 
ATOM   2152 H  HD13 . ILE   A 1 136 ? 12.486  63.324 71.304 1.00 18.08  ? 240 ILE   A HD13 1 
ATOM   2153 N  N    . ASP   A 1 137 ? 16.119  66.947 73.287 1.00 14.25  ? 241 ASP   A N    1 
ATOM   2154 C  CA   . ASP   A 1 137 ? 17.471  66.433 73.241 1.00 15.53  ? 241 ASP   A CA   1 
ATOM   2155 C  C    . ASP   A 1 137 ? 17.337  64.935 73.440 1.00 15.10  ? 241 ASP   A C    1 
ATOM   2156 O  O    . ASP   A 1 137 ? 16.777  64.473 74.427 1.00 17.56  ? 241 ASP   A O    1 
ATOM   2157 C  CB   . ASP   A 1 137 ? 18.356  67.056 74.326 1.00 20.09  ? 241 ASP   A CB   1 
ATOM   2158 C  CG   . ASP   A 1 137 ? 18.495  68.562 74.232 1.00 27.26  ? 241 ASP   A CG   1 
ATOM   2159 O  OD1  . ASP   A 1 137 ? 18.574  69.050 73.110 1.00 33.55  ? 241 ASP   A OD1  1 
ATOM   2160 O  OD2  . ASP   A 1 137 ? 18.482  69.231 75.297 1.00 36.51  ? 241 ASP   A OD2  1 
ATOM   2161 H  H    . ASP   A 1 137 ? 15.697  67.121 74.189 1.00 14.87  ? 241 ASP   A H    1 
ATOM   2162 H  HA   . ASP   A 1 137 ? 17.861  66.616 72.354 1.00 15.98  ? 241 ASP   A HA   1 
ATOM   2163 H  HB2  . ASP   A 1 137 ? 17.981  66.838 75.204 1.00 20.35  ? 241 ASP   A HB2  1 
ATOM   2164 H  HB3  . ASP   A 1 137 ? 19.250  66.662 74.271 1.00 20.33  ? 241 ASP   A HB3  1 
ATOM   2165 N  N    . LEU   A 1 138 ? 17.893  64.165 72.551 1.00 14.12  ? 242 LEU   A N    1 
ATOM   2166 C  CA   . LEU   A 1 138 ? 17.749  62.723 72.575 1.00 14.17  ? 242 LEU   A CA   1 
ATOM   2167 C  C    . LEU   A 1 138 ? 19.012  62.108 73.167 1.00 15.62  ? 242 LEU   A C    1 
ATOM   2168 O  O    . LEU   A 1 138 ? 20.101  62.345 72.620 1.00 16.56  ? 242 LEU   A O    1 
ATOM   2169 C  CB   . LEU   A 1 138 ? 17.466  62.281 71.128 1.00 13.92  ? 242 LEU   A CB   1 
ATOM   2170 C  CG   . LEU   A 1 138 ? 17.322  60.784 70.914 1.00 14.69  ? 242 LEU   A CG   1 
ATOM   2171 C  CD1  . LEU   A 1 138 ? 16.169  60.188 71.701 1.00 15.17  ? 242 LEU   A CD1  1 
ATOM   2172 C  CD2  . LEU   A 1 138 ? 17.146  60.461 69.429 1.00 14.60  ? 242 LEU   A CD2  1 
ATOM   2173 H  H    . LEU   A 1 138 ? 18.450  64.581 71.818 1.00 14.36  ? 242 LEU   A H    1 
ATOM   2174 H  HA   . LEU   A 1 138 ? 16.981  62.490 73.144 1.00 14.39  ? 242 LEU   A HA   1 
ATOM   2175 H  HB2  . LEU   A 1 138 ? 16.642  62.717 70.829 1.00 14.15  ? 242 LEU   A HB2  1 
ATOM   2176 H  HB3  . LEU   A 1 138 ? 18.193  62.606 70.559 1.00 14.15  ? 242 LEU   A HB3  1 
ATOM   2177 H  HG   . LEU   A 1 138 ? 18.156  60.350 71.221 1.00 14.61  ? 242 LEU   A HG   1 
ATOM   2178 H  HD11 . LEU   A 1 138 ? 16.371  60.224 72.651 1.00 15.02  ? 242 LEU   A HD11 1 
ATOM   2179 H  HD12 . LEU   A 1 138 ? 16.037  59.262 71.433 1.00 15.02  ? 242 LEU   A HD12 1 
ATOM   2180 H  HD13 . LEU   A 1 138 ? 15.358  60.695 71.523 1.00 15.02  ? 242 LEU   A HD13 1 
ATOM   2181 H  HD21 . LEU   A 1 138 ? 16.306  60.835 69.112 1.00 14.63  ? 242 LEU   A HD21 1 
ATOM   2182 H  HD22 . LEU   A 1 138 ? 17.138  59.496 69.305 1.00 14.63  ? 242 LEU   A HD22 1 
ATOM   2183 H  HD23 . LEU   A 1 138 ? 17.883  60.847 68.923 1.00 14.63  ? 242 LEU   A HD23 1 
ATOM   2184 N  N    . THR   A 1 139 ? 18.827  61.246 74.170 1.00 14.80  ? 243 THR   A N    1 
ATOM   2185 C  CA   . THR   A 1 139 ? 19.911  60.609 74.874 1.00 16.13  ? 243 THR   A CA   1 
ATOM   2186 C  C    . THR   A 1 139 ? 20.142  59.193 74.348 1.00 17.56  ? 243 THR   A C    1 
ATOM   2187 O  O    . THR   A 1 139 ? 21.284  58.734 74.178 1.00 18.63  ? 243 THR   A O    1 
ATOM   2188 C  CB   . THR   A 1 139 ? 19.607  60.602 76.387 1.00 19.20  ? 243 THR   A CB   1 
ATOM   2189 O  OG1  . THR   A 1 139 ? 19.432  61.988 76.723 1.00 25.41  ? 243 THR   A OG1  1 
ATOM   2190 C  CG2  . THR   A 1 139 ? 20.710  59.981 77.190 1.00 23.64  ? 243 THR   A CG2  1 
ATOM   2191 H  H    . THR   A 1 139 ? 17.883  61.034 74.456 1.00 15.29  ? 243 THR   A H    1 
ATOM   2192 H  HA   . THR   A 1 139 ? 20.729  61.137 74.723 1.00 16.67  ? 243 THR   A HA   1 
ATOM   2193 H  HB   . THR   A 1 139 ? 18.766  60.113 76.545 1.00 20.37  ? 243 THR   A HB   1 
ATOM   2194 H  HG1  . THR   A 1 139 ? 18.735  62.117 77.443 0.00 17.80  ? 243 THR   A HG1  1 
ATOM   2195 H  HG21 . THR   A 1 139 ? 20.673  60.312 78.106 1.00 22.17  ? 243 THR   A HG21 1 
ATOM   2196 H  HG22 . THR   A 1 139 ? 21.571  60.213 76.797 1.00 22.16  ? 243 THR   A HG22 1 
ATOM   2197 H  HG23 . THR   A 1 139 ? 20.607  59.012 77.193 1.00 22.16  ? 243 THR   A HG23 1 
ATOM   2198 N  N    . SER   A 1 140 ? 19.049  58.444 74.127 1.00 15.23  ? 244 SER   A N    1 
ATOM   2199 C  CA   A SER   A 1 140 ? 19.191  57.070 73.699 0.50 16.16  ? 244 SER   A CA   1 
ATOM   2200 C  CA   B SER   A 1 140 ? 19.221  57.078 73.655 0.50 15.96  ? 244 SER   A CA   1 
ATOM   2201 C  C    . SER   A 1 140 ? 17.908  56.595 73.047 1.00 14.32  ? 244 SER   A C    1 
ATOM   2202 O  O    . SER   A 1 140 ? 16.812  57.049 73.409 1.00 13.00  ? 244 SER   A O    1 
ATOM   2203 C  CB   A SER   A 1 140 ? 19.553  56.201 74.922 0.50 17.58  ? 244 SER   A CB   1 
ATOM   2204 C  CB   B SER   A 1 140 ? 19.749  56.152 74.686 0.50 17.36  ? 244 SER   A CB   1 
ATOM   2205 O  OG   A SER   A 1 140 ? 19.410  54.798 74.702 0.50 18.26  ? 244 SER   A OG   1 
ATOM   2206 O  OG   B SER   A 1 140 ? 18.822  56.000 75.701 0.50 16.25  ? 244 SER   A OG   1 
ATOM   2207 H  H    . SER   A 1 140 ? 18.121  58.813 74.273 1.00 15.96  ? 244 SER   A H    1 
ATOM   2208 H  HA   . SER   A 1 140 ? 19.910  57.066 72.972 1.00 16.06  ? 244 SER   A HA   1 
ATOM   2209 H  HB2  A SER   A 1 140 ? 20.484  56.388 75.178 0.50 17.39  ? 244 SER   A HB2  1 
ATOM   2210 H  HB2  B SER   A 1 140 ? 19.937  55.277 74.276 0.50 16.76  ? 244 SER   A HB2  1 
ATOM   2211 H  HB3  A SER   A 1 140 ? 18.980  56.464 75.677 0.50 17.39  ? 244 SER   A HB3  1 
ATOM   2212 H  HB3  B SER   A 1 140 ? 20.589  56.507 75.054 0.50 16.76  ? 244 SER   A HB3  1 
ATOM   2213 H  HG   A SER   A 1 140 ? 20.321  54.480 74.085 0.00 17.80  ? 244 SER   A HG   1 
ATOM   2214 H  HG   B SER   A 1 140 ? 18.677  55.173 75.811 0.50 16.59  ? 244 SER   A HG   1 
ATOM   2215 N  N    . ALA   A 1 141 ? 18.036  55.643 72.123 1.00 13.72  ? 245 ALA   A N    1 
ATOM   2216 C  CA   . ALA   A 1 141 ? 16.925  55.023 71.438 1.00 12.87  ? 245 ALA   A CA   1 
ATOM   2217 C  C    . ALA   A 1 141 ? 17.352  53.603 71.136 1.00 14.45  ? 245 ALA   A C    1 
ATOM   2218 O  O    . ALA   A 1 141 ? 18.329  53.415 70.384 1.00 16.30  ? 245 ALA   A O    1 
ATOM   2219 C  CB   . ALA   A 1 141 ? 16.574  55.771 70.185 1.00 14.06  ? 245 ALA   A CB   1 
ATOM   2220 H  H    . ALA   A 1 141 ? 18.968  55.333 71.883 1.00 13.67  ? 245 ALA   A H    1 
ATOM   2221 H  HA   . ALA   A 1 141 ? 16.144  55.006 72.037 1.00 13.55  ? 245 ALA   A HA   1 
ATOM   2222 H  HB1  . ALA   A 1 141 ? 16.292  56.672 70.412 1.00 13.68  ? 245 ALA   A HB1  1 
ATOM   2223 H  HB2  . ALA   A 1 141 ? 15.851  55.312 69.724 1.00 13.68  ? 245 ALA   A HB2  1 
ATOM   2224 H  HB3  . ALA   A 1 141 ? 17.351  55.813 69.602 1.00 13.68  ? 245 ALA   A HB3  1 
ATOM   2225 N  N    . SER   A 1 142 ? 16.655  52.617 71.671 1.00 13.90  ? 246 SER   A N    1 
ATOM   2226 C  CA   . SER   A 1 142 ? 17.071  51.222 71.529 1.00 14.61  ? 246 SER   A CA   1 
ATOM   2227 C  C    . SER   A 1 142 ? 15.861  50.314 71.653 1.00 15.01  ? 246 SER   A C    1 
ATOM   2228 O  O    . SER   A 1 142 ? 14.760  50.748 72.010 1.00 15.38  ? 246 SER   A O    1 
ATOM   2229 C  CB   . SER   A 1 142 ? 18.122  50.863 72.549 1.00 16.58  ? 246 SER   A CB   1 
ATOM   2230 O  OG   . SER   A 1 142 ? 17.621  50.897 73.861 1.00 18.74  ? 246 SER   A OG   1 
ATOM   2231 H  H    . SER   A 1 142 ? 15.814  52.825 72.192 1.00 14.19  ? 246 SER   A H    1 
ATOM   2232 H  HA   . SER   A 1 142 ? 17.457  51.102 70.619 1.00 14.90  ? 246 SER   A HA   1 
ATOM   2233 H  HB2  . SER   A 1 142 ? 18.468  49.962 72.357 1.00 16.55  ? 246 SER   A HB2  1 
ATOM   2234 H  HB3  . SER   A 1 142 ? 18.872  51.495 72.473 1.00 16.56  ? 246 SER   A HB3  1 
ATOM   2235 H  HG   . SER   A 1 142 ? 18.344  50.681 74.494 0.00 17.80  ? 246 SER   A HG   1 
ATOM   2236 N  N    . TYR   A 1 143 ? 16.102  49.006 71.497 1.00 14.48  ? 247 TYR   A N    1 
ATOM   2237 C  CA   . TYR   A 1 143 ? 15.058  48.022 71.591 1.00 14.42  ? 247 TYR   A CA   1 
ATOM   2238 C  C    . TYR   A 1 143 ? 15.636  46.760 72.199 1.00 15.09  ? 247 TYR   A C    1 
ATOM   2239 O  O    . TYR   A 1 143 ? 16.866  46.536 72.189 1.00 14.91  ? 247 TYR   A O    1 
ATOM   2240 C  CB   . TYR   A 1 143 ? 14.376  47.747 70.237 1.00 14.52  ? 247 TYR   A CB   1 
ATOM   2241 C  CG   . TYR   A 1 143 ? 15.325  47.478 69.114 1.00 13.21  ? 247 TYR   A CG   1 
ATOM   2242 C  CD1  . TYR   A 1 143 ? 16.033  46.274 69.000 1.00 13.88  ? 247 TYR   A CD1  1 
ATOM   2243 C  CD2  . TYR   A 1 143 ? 15.596  48.427 68.151 1.00 13.83  ? 247 TYR   A CD2  1 
ATOM   2244 C  CE1  . TYR   A 1 143 ? 16.960  46.091 67.997 1.00 14.64  ? 247 TYR   A CE1  1 
ATOM   2245 C  CE2  . TYR   A 1 143 ? 16.529  48.269 67.132 1.00 15.29  ? 247 TYR   A CE2  1 
ATOM   2246 C  CZ   . TYR   A 1 143 ? 17.222  47.071 67.065 1.00 15.31  ? 247 TYR   A CZ   1 
ATOM   2247 O  OH   . TYR   A 1 143 ? 18.111  46.889 66.059 1.00 17.77  ? 247 TYR   A OH   1 
ATOM   2248 H  H    . TYR   A 1 143 ? 17.040  48.696 71.288 1.00 14.60  ? 247 TYR   A H    1 
ATOM   2249 H  HA   . TYR   A 1 143 ? 14.372  48.368 72.212 1.00 14.58  ? 247 TYR   A HA   1 
ATOM   2250 H  HB2  . TYR   A 1 143 ? 13.781  46.974 70.341 1.00 14.18  ? 247 TYR   A HB2  1 
ATOM   2251 H  HB3  . TYR   A 1 143 ? 13.822  48.521 70.006 1.00 14.19  ? 247 TYR   A HB3  1 
ATOM   2252 H  HD1  . TYR   A 1 143 ? 15.903  45.595 69.641 1.00 13.98  ? 247 TYR   A HD1  1 
ATOM   2253 H  HD2  . TYR   A 1 143 ? 15.154  49.257 68.214 1.00 14.08  ? 247 TYR   A HD2  1 
ATOM   2254 H  HE1  . TYR   A 1 143 ? 17.424  45.273 67.944 1.00 14.61  ? 247 TYR   A HE1  1 
ATOM   2255 H  HE2  . TYR   A 1 143 ? 16.680  48.952 66.502 1.00 14.90  ? 247 TYR   A HE2  1 
ATOM   2256 H  HH   . TYR   A 1 143 ? 18.671  46.044 66.214 0.00 17.80  ? 247 TYR   A HH   1 
ATOM   2257 N  N    . THR   A 1 144 ? 14.725  46.001 72.795 1.00 14.33  ? 248 THR   A N    1 
ATOM   2258 C  CA   . THR   A 1 144 ? 15.040  44.655 73.251 1.00 16.71  ? 248 THR   A CA   1 
ATOM   2259 C  C    . THR   A 1 144 ? 13.794  43.781 73.166 1.00 17.52  ? 248 THR   A C    1 
ATOM   2260 O  O    . THR   A 1 144 ? 12.691  44.266 72.874 1.00 17.57  ? 248 THR   A O    1 
ATOM   2261 C  CB   . THR   A 1 144 ? 15.596  44.702 74.669 1.00 18.37  ? 248 THR   A CB   1 
ATOM   2262 O  OG1  . THR   A 1 144 ? 16.173  43.427 75.014 1.00 21.84  ? 248 THR   A OG1  1 
ATOM   2263 C  CG2  . THR   A 1 144 ? 14.539  45.076 75.678 1.00 17.82  ? 248 THR   A CG2  1 
ATOM   2264 H  H    . THR   A 1 144 ? 13.791  46.359 72.939 1.00 15.04  ? 248 THR   A H    1 
ATOM   2265 H  HA   . THR   A 1 144 ? 15.728  44.280 72.653 1.00 16.66  ? 248 THR   A HA   1 
ATOM   2266 H  HB   . THR   A 1 144 ? 16.308  45.385 74.694 1.00 18.53  ? 248 THR   A HB   1 
ATOM   2267 H  HG1  . THR   A 1 144 ? 16.538  43.512 75.974 0.00 17.80  ? 248 THR   A HG1  1 
ATOM   2268 H  HG21 . THR   A 1 144 ? 13.925  45.722 75.285 1.00 17.97  ? 248 THR   A HG21 1 
ATOM   2269 H  HG22 . THR   A 1 144 ? 14.964  45.470 76.461 1.00 17.98  ? 248 THR   A HG22 1 
ATOM   2270 H  HG23 . THR   A 1 144 ? 14.046  44.280 75.944 1.00 17.98  ? 248 THR   A HG23 1 
ATOM   2271 N  N    . MET   A 1 145 ? 13.961  42.470 73.366 1.00 18.71  ? 249 MET   A N    1 
ATOM   2272 C  CA   . MET   A 1 145 ? 12.825  41.570 73.434 1.00 19.80  ? 249 MET   A CA   1 
ATOM   2273 C  C    . MET   A 1 145 ? 12.558  41.263 74.893 1.00 22.18  ? 249 MET   A C    1 
ATOM   2274 O  O    . MET   A 1 145 ? 13.477  40.930 75.658 1.00 26.45  ? 249 MET   A O    1 
ATOM   2275 C  CB   . MET   A 1 145 ? 13.076  40.229 72.731 1.00 22.28  ? 249 MET   A CB   1 
ATOM   2276 C  CG   . MET   A 1 145 ? 13.227  40.319 71.246 1.00 22.33  ? 249 MET   A CG   1 
ATOM   2277 S  SD   . MET   A 1 145 ? 11.774  41.085 70.395 1.00 23.78  ? 249 MET   A SD   1 
ATOM   2278 C  CE   . MET   A 1 145 ? 12.536  41.428 68.834 1.00 26.94  ? 249 MET   A CE   1 
ATOM   2279 H  H    . MET   A 1 145 ? 14.893  42.094 73.473 1.00 18.66  ? 249 MET   A H    1 
ATOM   2280 H  HA   . MET   A 1 145 ? 12.039  42.013 73.046 1.00 20.46  ? 249 MET   A HA   1 
ATOM   2281 H  HB2  . MET   A 1 145 ? 13.886  39.830 73.105 1.00 21.68  ? 249 MET   A HB2  1 
ATOM   2282 H  HB3  . MET   A 1 145 ? 12.331  39.628 72.934 1.00 21.68  ? 249 MET   A HB3  1 
ATOM   2283 H  HG2  . MET   A 1 145 ? 14.026  40.850 71.040 1.00 22.75  ? 249 MET   A HG2  1 
ATOM   2284 H  HG3  . MET   A 1 145 ? 13.365  39.418 70.883 1.00 22.67  ? 249 MET   A HG3  1 
ATOM   2285 H  HE1  . MET   A 1 145 ? 13.362  41.906 68.979 1.00 26.03  ? 249 MET   A HE1  1 
ATOM   2286 H  HE2  . MET   A 1 145 ? 11.942  41.967 68.298 1.00 25.95  ? 249 MET   A HE2  1 
ATOM   2287 H  HE3  . MET   A 1 145 ? 12.720  40.599 68.377 1.00 25.95  ? 249 MET   A HE3  1 
ATOM   2288 N  N    . ILE   A 1 146 ? 11.301  41.296 75.275 1.00 20.18  ? 250 ILE   A N    1 
ATOM   2289 C  CA   . ILE   A 1 146 ? 10.949  40.913 76.630 1.00 23.05  ? 250 ILE   A CA   1 
ATOM   2290 C  C    . ILE   A 1 146 ? 10.253  39.549 76.612 1.00 27.23  ? 250 ILE   A C    1 
ATOM   2291 O  O    . ILE   A 1 146 ? 10.028  38.899 75.593 1.00 26.15  ? 250 ILE   A O    1 
ATOM   2292 C  CB   . ILE   A 1 146 ? 10.112  41.989 77.323 1.00 24.43  ? 250 ILE   A CB   1 
ATOM   2293 C  CG1  . ILE   A 1 146 ? 8.746   42.182 76.677 1.00 25.50  ? 250 ILE   A CG1  1 
ATOM   2294 C  CG2  . ILE   A 1 146 ? 10.906  43.280 77.435 1.00 25.89  ? 250 ILE   A CG2  1 
ATOM   2295 C  CD1  . ILE   A 1 146 ? 7.693   42.748 77.594 1.00 29.69  ? 250 ILE   A CD1  1 
ATOM   2296 O  OXT  . ILE   A 1 146 ? 9.903   39.085 77.686 1.00 31.54  ? 250 ILE   A OXT  1 
ATOM   2297 H  H    . ILE   A 1 146 ? 10.575  41.582 74.633 1.00 21.29  ? 250 ILE   A H    1 
ATOM   2298 H  HA   . ILE   A 1 146 ? 11.773  40.816 77.138 1.00 23.46  ? 250 ILE   A HA   1 
ATOM   2299 H  HB   . ILE   A 1 146 ? 9.947   41.672 78.245 1.00 24.65  ? 250 ILE   A HB   1 
ATOM   2300 H  HG12 . ILE   A 1 146 ? 8.848   42.784 75.910 1.00 26.17  ? 250 ILE   A HG12 1 
ATOM   2301 H  HG13 . ILE   A 1 146 ? 8.431   41.318 76.337 1.00 26.16  ? 250 ILE   A HG13 1 
ATOM   2302 H  HG21 . ILE   A 1 146 ? 11.726  43.116 77.933 1.00 25.43  ? 250 ILE   A HG21 1 
ATOM   2303 H  HG22 . ILE   A 1 146 ? 10.376  43.949 77.901 1.00 25.43  ? 250 ILE   A HG22 1 
ATOM   2304 H  HG23 . ILE   A 1 146 ? 11.129  43.606 76.546 1.00 25.42  ? 250 ILE   A HG23 1 
ATOM   2305 H  HD11 . ILE   A 1 146 ? 7.523   42.119 78.316 1.00 28.31  ? 250 ILE   A HD11 1 
ATOM   2306 H  HD12 . ILE   A 1 146 ? 6.871   42.894 77.095 1.00 28.24  ? 250 ILE   A HD12 1 
ATOM   2307 H  HD13 . ILE   A 1 146 ? 8.002   43.592 77.963 1.00 28.31  ? 250 ILE   A HD13 1 
HETATM 2308 C  C13  . A1L0R B 2 .   ? 7.944   67.420 63.714 1.00 24.24  ? 301 A1L0R A C13  1 
HETATM 2309 C  C18  . A1L0R B 2 .   ? -4.095  67.409 58.673 1.00 39.44  ? 301 A1L0R A C18  1 
HETATM 2310 C  C17  . A1L0R B 2 .   ? -3.215  68.391 59.097 1.00 35.76  ? 301 A1L0R A C17  1 
HETATM 2311 C  C16  . A1L0R B 2 .   ? -3.689  69.805 61.121 1.00 27.82  ? 301 A1L0R A C16  1 
HETATM 2312 C  C15  . A1L0R B 2 .   ? 6.649   67.237 61.805 1.00 23.42  ? 301 A1L0R A C15  1 
HETATM 2313 C  C19  . A1L0R B 2 .   ? -4.210  67.144 57.268 1.00 39.89  ? 301 A1L0R A C19  1 
HETATM 2314 C  C20  . A1L0R B 2 .   ? -3.454  67.883 56.358 1.00 42.53  ? 301 A1L0R A C20  1 
HETATM 2315 C  C21  . A1L0R B 2 .   ? -2.582  68.887 56.828 1.00 46.86  ? 301 A1L0R A C21  1 
HETATM 2316 C  C22  . A1L0R B 2 .   ? -2.430  69.133 58.200 1.00 40.71  ? 301 A1L0R A C22  1 
HETATM 2317 C  C23  . A1L0R B 2 .   ? -4.925  66.652 59.697 1.00 46.30  ? 301 A1L0R A C23  1 
HETATM 2318 C  C11  . A1L0R B 2 .   ? 5.716   66.667 64.000 1.00 18.32  ? 301 A1L0R A C11  1 
HETATM 2319 C  C12  . A1L0R B 2 .   ? 6.976   66.987 64.592 1.00 18.05  ? 301 A1L0R A C12  1 
HETATM 2320 F  F4   . A1L0R B 2 .   ? -5.604  67.405 60.687 1.00 48.50  ? 301 A1L0R A F4   1 
HETATM 2321 F  F2   . A1L0R B 2 .   ? -4.224  65.733 60.433 1.00 42.31  ? 301 A1L0R A F2   1 
HETATM 2322 F  F3   . A1L0R B 2 .   ? -5.870  65.933 59.026 1.00 46.73  ? 301 A1L0R A F3   1 
HETATM 2323 CL CL   . A1L0R B 2 .   ? -1.742  69.987 55.770 0.60 54.94  ? 301 A1L0R A CL   1 
HETATM 2324 N  N5   . A1L0R B 2 .   ? -3.086  68.743 60.528 1.00 28.72  ? 301 A1L0R A N5   1 
HETATM 2325 S  S    . A1L0R B 2 .   ? -4.790  70.823 60.422 1.00 36.42  ? 301 A1L0R A S    1 
HETATM 2326 N  N    . A1L0R B 2 .   ? -3.132  69.863 62.366 1.00 29.05  ? 301 A1L0R A N    1 
HETATM 2327 C  C    . A1L0R B 2 .   ? -3.508  70.837 63.384 1.00 30.61  ? 301 A1L0R A C    1 
HETATM 2328 C  C1   . A1L0R B 2 .   ? -2.189  68.156 61.465 1.00 23.01  ? 301 A1L0R A C1   1 
HETATM 2329 N  N1   . A1L0R B 2 .   ? -2.163  68.832 62.585 1.00 25.17  ? 301 A1L0R A N1   1 
HETATM 2330 C  C2   . A1L0R B 2 .   ? -1.472  66.871 61.219 1.00 19.15  ? 301 A1L0R A C2   1 
HETATM 2331 C  C7   . A1L0R B 2 .   ? 0.039   67.130 61.419 1.00 17.58  ? 301 A1L0R A C7   1 
HETATM 2332 O  O3   . A1L0R B 2 .   ? 0.528   68.068 60.444 1.00 21.03  ? 301 A1L0R A O3   1 
HETATM 2333 C  C6   . A1L0R B 2 .   ? 0.808   65.792 61.295 1.00 17.35  ? 301 A1L0R A C6   1 
HETATM 2334 C  C5   . A1L0R B 2 .   ? 0.256   64.785 62.267 1.00 17.01  ? 301 A1L0R A C5   1 
HETATM 2335 O  O2   . A1L0R B 2 .   ? 0.515   65.230 63.580 1.00 15.09  ? 301 A1L0R A O2   1 
HETATM 2336 C  C3   . A1L0R B 2 .   ? -1.263  64.672 62.032 1.00 16.63  ? 301 A1L0R A C3   1 
HETATM 2337 C  C4   . A1L0R B 2 .   ? -1.961  63.749 63.049 1.00 16.30  ? 301 A1L0R A C4   1 
HETATM 2338 O  O1   . A1L0R B 2 .   ? -3.264  63.448 62.790 1.00 17.97  ? 301 A1L0R A O1   1 
HETATM 2339 O  O    . A1L0R B 2 .   ? -1.933  65.978 62.223 1.00 18.10  ? 301 A1L0R A O    1 
HETATM 2340 N  N2   . A1L0R B 2 .   ? 2.218   65.987 61.416 1.00 18.23  ? 301 A1L0R A N2   1 
HETATM 2341 N  N4   . A1L0R B 2 .   ? 2.972   65.727 60.293 1.00 20.45  ? 301 A1L0R A N4   1 
HETATM 2342 N  N3   . A1L0R B 2 .   ? 4.226   65.984 60.608 1.00 22.01  ? 301 A1L0R A N3   1 
HETATM 2343 C  C9   . A1L0R B 2 .   ? 4.321   66.425 61.962 1.00 19.14  ? 301 A1L0R A C9   1 
HETATM 2344 C  C8   . A1L0R B 2 .   ? 3.023   66.404 62.432 1.00 15.76  ? 301 A1L0R A C8   1 
HETATM 2345 C  C10  . A1L0R B 2 .   ? 5.567   66.795 62.626 1.00 19.21  ? 301 A1L0R A C10  1 
HETATM 2346 C  C14  . A1L0R B 2 .   ? 7.831   67.537 62.395 1.00 25.28  ? 301 A1L0R A C14  1 
HETATM 2347 BR BR   . A1L0R B 2 .   ? 9.665   68.079 64.225 0.60 32.02  ? 301 A1L0R A BR   1 
HETATM 2348 F  F1   . A1L0R B 2 .   ? 7.059   66.820 65.904 1.00 22.76  ? 301 A1L0R A F1   1 
HETATM 2349 F  F    . A1L0R B 2 .   ? 4.715   66.244 64.760 1.00 19.25  ? 301 A1L0R A F    1 
HETATM 2350 H  H15  . A1L0R B 2 .   ? 6.535   67.336 60.726 1.00 22.79  ? 301 A1L0R A H15  1 
HETATM 2351 H  H16  . A1L0R B 2 .   ? -4.874  66.371 56.885 1.00 40.41  ? 301 A1L0R A H16  1 
HETATM 2352 H  H17  . A1L0R B 2 .   ? -3.535  67.687 55.289 1.00 42.86  ? 301 A1L0R A H17  1 
HETATM 2353 H  H18  . A1L0R B 2 .   ? -1.720  69.882 58.547 1.00 40.82  ? 301 A1L0R A H18  1 
HETATM 2354 H  H7   . A1L0R B 2 .   ? -2.627  71.284 63.843 1.00 30.12  ? 301 A1L0R A H7   1 
HETATM 2355 H  H5   . A1L0R B 2 .   ? -4.091  70.346 64.162 1.00 30.10  ? 301 A1L0R A H5   1 
HETATM 2356 H  H6   . A1L0R B 2 .   ? -4.114  71.632 62.953 1.00 30.12  ? 301 A1L0R A H6   1 
HETATM 2357 H  H    . A1L0R B 2 .   ? -1.689  66.508 60.216 1.00 19.35  ? 301 A1L0R A H    1 
HETATM 2358 H  H4   . A1L0R B 2 .   ? 0.218   67.623 62.374 1.00 18.46  ? 301 A1L0R A H4   1 
HETATM 2359 H  H12  . A1L0R B 2 .   ? 0.365   67.708 59.533 1.00 19.90  ? 301 A1L0R A H12  1 
HETATM 2360 H  H3   . A1L0R B 2 .   ? 0.647   65.394 60.294 1.00 17.50  ? 301 A1L0R A H3   1 
HETATM 2361 H  H2   . A1L0R B 2 .   ? 0.703   63.811 62.077 1.00 16.61  ? 301 A1L0R A H2   1 
HETATM 2362 H  H11  . A1L0R B 2 .   ? 0.083   64.602 64.216 1.00 15.65  ? 301 A1L0R A H11  1 
HETATM 2363 H  H1   . A1L0R B 2 .   ? -1.430  64.302 61.022 1.00 16.91  ? 301 A1L0R A H1   1 
HETATM 2364 H  H9   . A1L0R B 2 .   ? -1.349  62.857 63.175 1.00 16.76  ? 301 A1L0R A H9   1 
HETATM 2365 H  H8   . A1L0R B 2 .   ? -2.035  64.223 64.027 1.00 16.75  ? 301 A1L0R A H8   1 
HETATM 2366 H  H10  . A1L0R B 2 .   ? -3.759  64.292 62.624 1.00 17.43  ? 301 A1L0R A H10  1 
HETATM 2367 H  H13  . A1L0R B 2 .   ? 2.645   66.662 63.419 1.00 17.11  ? 301 A1L0R A H13  1 
HETATM 2368 H  H14  . A1L0R B 2 .   ? 8.678   67.870 61.797 1.00 24.60  ? 301 A1L0R A H14  1 
HETATM 2369 CL CL   . CL    C 3 .   ? 2.195   68.460 65.350 1.00 42.54  ? 302 CL    A CL   1 
HETATM 2370 O  O    . HOH   D 4 .   ? 3.773   69.956 79.620 1.00 35.50  ? 401 HOH   A O    1 
HETATM 2371 O  O    . HOH   D 4 .   ? 4.254   41.482 57.706 1.00 41.04  ? 402 HOH   A O    1 
HETATM 2372 O  O    . HOH   D 4 .   ? -1.632  47.269 76.158 1.00 103.64 ? 403 HOH   A O    1 
HETATM 2373 O  O    . HOH   D 4 .   ? 10.098  75.943 79.264 1.00 41.17  ? 404 HOH   A O    1 
HETATM 2374 O  O    . HOH   D 4 .   ? 9.502   71.028 65.990 1.00 41.59  ? 405 HOH   A O    1 
HETATM 2375 O  O    . HOH   D 4 .   ? 4.767   61.246 53.100 1.00 35.49  ? 406 HOH   A O    1 
HETATM 2376 O  O    . HOH   D 4 .   ? 4.445   41.087 54.123 1.00 36.23  ? 407 HOH   A O    1 
HETATM 2377 O  O    . HOH   D 4 .   ? -6.002  46.628 70.950 1.00 36.56  ? 408 HOH   A O    1 
HETATM 2378 O  O    . HOH   D 4 .   ? 19.662  65.466 70.629 1.00 23.30  ? 409 HOH   A O    1 
HETATM 2379 O  O    . HOH   D 4 .   ? 20.421  54.236 68.832 1.00 37.91  ? 410 HOH   A O    1 
HETATM 2380 O  O    . HOH   D 4 .   ? 17.183  53.645 75.192 1.00 20.46  ? 411 HOH   A O    1 
HETATM 2381 O  O    . HOH   D 4 .   ? 13.640  75.493 73.096 1.00 38.18  ? 412 HOH   A O    1 
HETATM 2382 O  O    . HOH   D 4 .   ? 19.915  54.548 64.475 1.00 48.00  ? 413 HOH   A O    1 
HETATM 2383 O  O    . HOH   D 4 .   ? -4.801  67.739 64.201 1.00 21.21  ? 414 HOH   A O    1 
HETATM 2384 O  O    . HOH   D 4 .   ? 6.511   74.389 76.212 1.00 38.54  ? 415 HOH   A O    1 
HETATM 2385 O  O    . HOH   D 4 .   ? 9.403   61.444 63.820 1.00 16.77  ? 416 HOH   A O    1 
HETATM 2386 O  O    . HOH   D 4 .   ? -2.692  51.824 48.278 1.00 37.43  ? 417 HOH   A O    1 
HETATM 2387 O  O    . HOH   D 4 .   ? 0.615   53.494 47.581 1.00 28.91  ? 418 HOH   A O    1 
HETATM 2388 O  O    . HOH   D 4 .   ? 8.230   54.485 80.571 1.00 13.72  ? 419 HOH   A O    1 
HETATM 2389 O  O    . HOH   D 4 .   ? 8.028   59.414 54.062 1.00 30.52  ? 420 HOH   A O    1 
HETATM 2390 O  O    . HOH   D 4 .   ? 2.925   42.154 76.444 1.00 26.75  ? 421 HOH   A O    1 
HETATM 2391 O  O    . HOH   D 4 .   ? 7.697   37.558 69.549 1.00 30.09  ? 422 HOH   A O    1 
HETATM 2392 O  O    . HOH   D 4 .   ? 3.016   66.720 82.679 1.00 41.71  ? 423 HOH   A O    1 
HETATM 2393 O  O    . HOH   D 4 .   ? -6.325  71.341 71.820 1.00 21.97  ? 424 HOH   A O    1 
HETATM 2394 O  O    . HOH   D 4 .   ? 16.681  48.748 75.037 1.00 23.50  ? 425 HOH   A O    1 
HETATM 2395 O  O    . HOH   D 4 .   ? 12.956  50.114 79.072 1.00 24.61  ? 426 HOH   A O    1 
HETATM 2396 O  O    . HOH   D 4 .   ? -1.488  68.941 80.679 1.00 23.60  ? 427 HOH   A O    1 
HETATM 2397 O  O    . HOH   D 4 .   ? 18.591  65.935 81.061 1.00 32.12  ? 428 HOH   A O    1 
HETATM 2398 O  O    . HOH   D 4 .   ? -0.618  52.401 51.676 1.00 22.52  ? 429 HOH   A O    1 
HETATM 2399 O  O    . HOH   D 4 .   ? -3.397  67.781 79.138 1.00 21.15  ? 430 HOH   A O    1 
HETATM 2400 O  O    . HOH   D 4 .   ? 12.991  57.589 60.095 1.00 24.79  ? 431 HOH   A O    1 
HETATM 2401 O  O    . HOH   D 4 .   ? -6.558  52.327 69.498 1.00 16.54  ? 432 HOH   A O    1 
HETATM 2402 O  O    . HOH   D 4 .   ? 8.604   72.109 60.648 1.00 74.89  ? 433 HOH   A O    1 
HETATM 2403 O  O    . HOH   D 4 .   ? -4.509  55.665 71.097 1.00 18.58  ? 434 HOH   A O    1 
HETATM 2404 O  O    . HOH   D 4 .   ? 18.154  67.954 69.687 1.00 31.99  ? 435 HOH   A O    1 
HETATM 2405 O  O    . HOH   D 4 .   ? 19.366  68.320 77.662 1.00 46.97  ? 436 HOH   A O    1 
HETATM 2406 O  O    . HOH   D 4 .   ? 10.138  51.316 56.695 1.00 18.99  ? 437 HOH   A O    1 
HETATM 2407 O  O    . HOH   D 4 .   ? -8.757  66.653 64.878 1.00 32.32  ? 438 HOH   A O    1 
HETATM 2408 O  O    . HOH   D 4 .   ? 14.011  48.655 75.208 1.00 17.69  ? 439 HOH   A O    1 
HETATM 2409 O  O    . HOH   D 4 .   ? -1.295  55.036 84.174 1.00 30.93  ? 440 HOH   A O    1 
HETATM 2410 O  O    . HOH   D 4 .   ? -0.205  47.426 55.071 1.00 90.95  ? 441 HOH   A O    1 
HETATM 2411 O  O    . HOH   D 4 .   ? 18.938  64.336 61.279 1.00 25.47  ? 442 HOH   A O    1 
HETATM 2412 O  O    . HOH   D 4 .   ? -3.220  59.462 48.180 1.00 30.68  ? 443 HOH   A O    1 
HETATM 2413 O  O    . HOH   D 4 .   ? -0.852  67.628 82.736 1.00 29.81  ? 444 HOH   A O    1 
HETATM 2414 O  O    . HOH   D 4 .   ? -7.582  47.499 62.597 1.00 28.73  ? 445 HOH   A O    1 
HETATM 2415 O  O    . HOH   D 4 .   ? 15.163  69.379 67.944 1.00 35.93  ? 446 HOH   A O    1 
HETATM 2416 O  O    . HOH   D 4 .   ? -5.846  52.427 65.956 1.00 14.07  ? 447 HOH   A O    1 
HETATM 2417 O  O    . HOH   D 4 .   ? -10.639 61.977 65.978 1.00 18.31  ? 448 HOH   A O    1 
HETATM 2418 O  O    . HOH   D 4 .   ? 0.382   45.963 81.032 1.00 22.52  ? 449 HOH   A O    1 
HETATM 2419 O  O    . HOH   D 4 .   ? -3.613  59.594 71.741 1.00 22.59  ? 450 HOH   A O    1 
HETATM 2420 O  O    . HOH   D 4 .   ? 7.586   50.254 82.386 1.00 30.02  ? 451 HOH   A O    1 
HETATM 2421 O  O    . HOH   D 4 .   ? 6.174   61.698 84.822 1.00 37.44  ? 452 HOH   A O    1 
HETATM 2422 O  O    . HOH   D 4 .   ? 6.131   63.484 62.191 1.00 20.72  ? 453 HOH   A O    1 
HETATM 2423 O  O    . HOH   D 4 .   ? 18.801  49.347 64.720 1.00 20.48  ? 454 HOH   A O    1 
HETATM 2424 O  O    . HOH   D 4 .   ? 0.784   50.612 55.516 1.00 18.63  ? 455 HOH   A O    1 
HETATM 2425 O  O    . HOH   D 4 .   ? 26.916  60.358 70.526 1.00 27.60  ? 456 HOH   A O    1 
HETATM 2426 O  O    . HOH   D 4 .   ? 6.010   40.608 63.109 1.00 24.83  ? 457 HOH   A O    1 
HETATM 2427 O  O    . HOH   D 4 .   ? 2.529   56.137 51.095 1.00 16.36  ? 458 HOH   A O    1 
HETATM 2428 O  O    . HOH   D 4 .   ? -5.633  68.957 77.300 1.00 36.41  ? 459 HOH   A O    1 
HETATM 2429 O  O    . HOH   D 4 .   ? -2.705  76.202 68.675 1.00 38.10  ? 460 HOH   A O    1 
HETATM 2430 O  O    . HOH   D 4 .   ? 8.798   38.082 59.988 1.00 40.32  ? 461 HOH   A O    1 
HETATM 2431 O  O    . HOH   D 4 .   ? -8.866  76.030 73.999 1.00 33.05  ? 462 HOH   A O    1 
HETATM 2432 O  O    . HOH   D 4 .   ? -0.998  50.753 62.906 1.00 13.06  ? 463 HOH   A O    1 
HETATM 2433 O  O    . HOH   D 4 .   ? 2.698   69.770 60.818 1.00 44.90  ? 464 HOH   A O    1 
HETATM 2434 O  O    . HOH   D 4 .   ? -5.019  52.445 77.751 1.00 24.07  ? 465 HOH   A O    1 
HETATM 2435 O  O    . HOH   D 4 .   ? -5.296  56.753 52.593 1.00 37.12  ? 466 HOH   A O    1 
HETATM 2436 O  O    . HOH   D 4 .   ? 20.393  61.572 63.321 1.00 22.29  ? 467 HOH   A O    1 
HETATM 2437 O  O    . HOH   D 4 .   ? 16.474  70.600 80.143 1.00 68.45  ? 468 HOH   A O    1 
HETATM 2438 O  O    . HOH   D 4 .   ? 6.086   59.147 55.934 1.00 23.77  ? 469 HOH   A O    1 
HETATM 2439 O  O    . HOH   D 4 .   ? -6.826  48.736 59.654 1.00 25.26  ? 470 HOH   A O    1 
HETATM 2440 O  O    . HOH   D 4 .   ? 14.961  48.077 58.960 1.00 20.52  ? 471 HOH   A O    1 
HETATM 2441 O  O    . HOH   D 4 .   ? -1.521  64.803 82.517 1.00 25.47  ? 472 HOH   A O    1 
HETATM 2442 O  O    . HOH   D 4 .   ? 25.782  63.504 68.380 1.00 26.14  ? 473 HOH   A O    1 
HETATM 2443 O  O    . HOH   D 4 .   ? 1.656   57.637 53.825 1.00 15.28  ? 474 HOH   A O    1 
HETATM 2444 O  O    . HOH   D 4 .   ? -3.889  49.809 57.173 1.00 24.42  ? 475 HOH   A O    1 
HETATM 2445 O  O    . HOH   D 4 .   ? -11.081 58.971 67.763 1.00 43.27  ? 476 HOH   A O    1 
HETATM 2446 O  O    . HOH   D 4 .   ? -7.140  63.436 59.539 1.00 31.01  ? 477 HOH   A O    1 
HETATM 2447 O  O    . HOH   D 4 .   ? 0.680   48.758 63.466 1.00 12.83  ? 478 HOH   A O    1 
HETATM 2448 O  O    . HOH   D 4 .   ? -0.976  39.767 66.366 1.00 18.19  ? 479 HOH   A O    1 
HETATM 2449 O  O    . HOH   D 4 .   ? 19.536  55.176 60.023 1.00 30.45  ? 480 HOH   A O    1 
HETATM 2450 O  O    . HOH   D 4 .   ? 1.461   80.586 72.594 1.00 48.24  ? 481 HOH   A O    1 
HETATM 2451 O  O    . HOH   D 4 .   ? 1.758   72.437 70.120 1.00 20.19  ? 482 HOH   A O    1 
HETATM 2452 O  O    . HOH   D 4 .   ? 2.648   71.542 85.066 1.00 24.57  ? 483 HOH   A O    1 
HETATM 2453 O  O    . HOH   D 4 .   ? 3.477   43.717 51.408 1.00 24.19  ? 484 HOH   A O    1 
HETATM 2454 O  O    . HOH   D 4 .   ? 20.512  46.856 67.662 1.00 55.98  ? 485 HOH   A O    1 
HETATM 2455 O  O    . HOH   D 4 .   ? 2.205   50.541 79.458 1.00 22.09  ? 486 HOH   A O    1 
HETATM 2456 O  O    . HOH   D 4 .   ? 22.663  56.504 72.962 1.00 34.38  ? 487 HOH   A O    1 
HETATM 2457 O  O    . HOH   D 4 .   ? -0.570  77.820 76.073 1.00 26.66  ? 488 HOH   A O    1 
HETATM 2458 O  O    . HOH   D 4 .   ? -4.156  71.107 78.558 1.00 20.02  ? 489 HOH   A O    1 
HETATM 2459 O  O    . HOH   D 4 .   ? 19.458  59.108 62.262 1.00 18.90  ? 490 HOH   A O    1 
HETATM 2460 O  O    . HOH   D 4 .   ? -8.513  56.146 60.087 1.00 18.81  ? 491 HOH   A O    1 
HETATM 2461 O  O    . HOH   D 4 .   ? 2.161   65.124 57.287 1.00 31.79  ? 492 HOH   A O    1 
HETATM 2462 O  O    . HOH   D 4 .   ? 1.402   51.944 84.836 1.00 24.51  ? 493 HOH   A O    1 
HETATM 2463 O  O    . HOH   D 4 .   ? 20.146  51.571 69.009 1.00 36.36  ? 494 HOH   A O    1 
HETATM 2464 O  O    . HOH   D 4 .   ? -6.674  78.606 78.191 1.00 29.85  ? 495 HOH   A O    1 
HETATM 2465 O  O    . HOH   D 4 .   ? 0.577   46.906 50.602 1.00 40.03  ? 496 HOH   A O    1 
HETATM 2466 O  O    . HOH   D 4 .   ? 8.664   64.479 61.716 1.00 31.03  ? 497 HOH   A O    1 
HETATM 2467 O  O    . HOH   D 4 .   ? -1.530  45.839 53.052 1.00 31.24  ? 498 HOH   A O    1 
HETATM 2468 O  O    . HOH   D 4 .   ? 9.025   63.923 81.936 1.00 25.07  ? 499 HOH   A O    1 
HETATM 2469 O  O    . HOH   D 4 .   ? 19.914  67.187 67.668 1.00 28.61  ? 500 HOH   A O    1 
HETATM 2470 O  O    . HOH   D 4 .   ? 4.967   61.688 59.959 1.00 30.30  ? 501 HOH   A O    1 
HETATM 2471 O  O    . HOH   D 4 .   ? 4.215   75.387 73.411 1.00 33.18  ? 502 HOH   A O    1 
HETATM 2472 O  O    . HOH   D 4 .   ? -5.493  54.040 75.359 1.00 20.36  ? 503 HOH   A O    1 
HETATM 2473 O  O    . HOH   D 4 .   ? -8.386  55.366 71.347 1.00 34.58  ? 504 HOH   A O    1 
HETATM 2474 O  O    . HOH   D 4 .   ? -9.753  62.756 63.417 1.00 21.18  ? 505 HOH   A O    1 
HETATM 2475 O  O    . HOH   D 4 .   ? 9.266   65.538 80.029 1.00 15.28  ? 506 HOH   A O    1 
HETATM 2476 O  O    . HOH   D 4 .   ? 20.735  46.461 64.737 1.00 28.92  ? 507 HOH   A O    1 
HETATM 2477 O  O    . HOH   D 4 .   ? 0.563   58.291 82.021 1.00 31.46  ? 508 HOH   A O    1 
HETATM 2478 O  O    . HOH   D 4 .   ? 10.627  49.062 82.733 1.00 44.93  ? 509 HOH   A O    1 
HETATM 2479 O  O    . HOH   D 4 .   ? 12.296  52.044 85.854 1.00 46.25  ? 510 HOH   A O    1 
HETATM 2480 O  O    . HOH   D 4 .   ? 16.011  60.820 80.022 1.00 21.04  ? 511 HOH   A O    1 
HETATM 2481 O  O    . HOH   D 4 .   ? 20.901  54.817 71.658 1.00 21.77  ? 512 HOH   A O    1 
HETATM 2482 O  O    . HOH   D 4 .   ? -6.071  48.627 70.482 1.00 53.33  ? 513 HOH   A O    1 
HETATM 2483 O  O    . HOH   D 4 .   ? 9.555   57.739 55.710 1.00 45.12  ? 514 HOH   A O    1 
HETATM 2484 O  O    . HOH   D 4 .   ? 4.114   41.908 74.204 1.00 18.98  ? 515 HOH   A O    1 
HETATM 2485 O  O    . HOH   D 4 .   ? -3.853  64.133 55.305 1.00 25.18  ? 516 HOH   A O    1 
HETATM 2486 O  O    . HOH   D 4 .   ? 0.306   49.633 51.120 1.00 45.61  ? 517 HOH   A O    1 
HETATM 2487 O  O    . HOH   D 4 .   ? 14.068  51.366 81.546 1.00 21.71  ? 518 HOH   A O    1 
HETATM 2488 O  O    . HOH   D 4 .   ? -6.725  63.945 56.803 1.00 39.30  ? 519 HOH   A O    1 
HETATM 2489 O  O    . HOH   D 4 .   ? 2.506   58.442 81.730 1.00 29.55  ? 520 HOH   A O    1 
HETATM 2490 O  O    . HOH   D 4 .   ? -7.715  59.492 55.156 1.00 45.18  ? 521 HOH   A O    1 
HETATM 2491 O  O    . HOH   D 4 .   ? 4.078   59.622 83.860 1.00 31.49  ? 522 HOH   A O    1 
HETATM 2492 O  O    . HOH   D 4 .   ? -4.709  56.673 57.409 1.00 16.78  ? 523 HOH   A O    1 
HETATM 2493 O  O    . HOH   D 4 .   ? 5.556   55.939 87.458 1.00 35.33  ? 524 HOH   A O    1 
HETATM 2494 O  O    . HOH   D 4 .   ? -8.246  47.321 61.301 1.00 151.77 ? 525 HOH   A O    1 
HETATM 2495 O  O    . HOH   D 4 .   ? 7.630   65.278 83.395 1.00 37.05  ? 526 HOH   A O    1 
HETATM 2496 O  O    . HOH   D 4 .   ? -9.765  54.565 61.895 1.00 34.86  ? 527 HOH   A O    1 
HETATM 2497 O  O    . HOH   D 4 .   ? 16.444  52.181 58.510 1.00 28.62  ? 528 HOH   A O    1 
HETATM 2498 O  O    . HOH   D 4 .   ? -7.731  65.211 74.380 1.00 21.13  ? 529 HOH   A O    1 
HETATM 2499 O  O    . HOH   D 4 .   ? -8.082  67.148 72.234 1.00 21.19  ? 530 HOH   A O    1 
HETATM 2500 O  O    . HOH   D 4 .   ? -7.871  57.965 72.103 1.00 36.10  ? 531 HOH   A O    1 
HETATM 2501 O  O    . HOH   D 4 .   ? 5.224   71.824 79.507 1.00 24.06  ? 532 HOH   A O    1 
HETATM 2502 O  O    . HOH   D 4 .   ? 23.497  60.669 66.207 1.00 17.94  ? 533 HOH   A O    1 
HETATM 2503 O  O    . HOH   D 4 .   ? 18.822  46.795 74.603 1.00 30.77  ? 534 HOH   A O    1 
HETATM 2504 O  O    . HOH   D 4 .   ? -5.914  55.172 59.386 1.00 13.76  ? 535 HOH   A O    1 
HETATM 2505 O  O    . HOH   D 4 .   ? 4.023   40.527 60.556 1.00 30.35  ? 536 HOH   A O    1 
HETATM 2506 O  O    . HOH   D 4 .   ? 11.753  74.814 81.064 1.00 34.97  ? 537 HOH   A O    1 
HETATM 2507 O  O    . HOH   D 4 .   ? 13.274  67.502 64.435 1.00 20.73  ? 538 HOH   A O    1 
HETATM 2508 O  O    . HOH   D 4 .   ? 4.323   63.555 58.429 1.00 54.97  ? 539 HOH   A O    1 
HETATM 2509 O  O    . HOH   D 4 .   ? -0.381  63.489 48.432 1.00 34.09  ? 540 HOH   A O    1 
HETATM 2510 O  O    . HOH   D 4 .   ? -6.919  51.647 72.102 1.00 32.73  ? 541 HOH   A O    1 
HETATM 2511 O  O    . HOH   D 4 .   ? -6.982  65.219 61.380 1.00 38.38  ? 542 HOH   A O    1 
HETATM 2512 O  O    . HOH   D 4 .   ? 4.533   50.003 77.777 1.00 16.13  ? 543 HOH   A O    1 
HETATM 2513 O  O    . HOH   D 4 .   ? -3.042  47.082 56.964 1.00 109.95 ? 544 HOH   A O    1 
HETATM 2514 O  O    . HOH   D 4 .   ? 18.949  48.317 70.124 1.00 23.94  ? 545 HOH   A O    1 
HETATM 2515 O  O    . HOH   D 4 .   ? -7.908  69.737 76.129 1.00 34.30  ? 546 HOH   A O    1 
HETATM 2516 O  O    . HOH   D 4 .   ? -1.008  46.423 56.294 1.00 21.17  ? 547 HOH   A O    1 
HETATM 2517 O  O    . HOH   D 4 .   ? 13.878  60.139 61.246 1.00 25.86  ? 548 HOH   A O    1 
HETATM 2518 O  O    . HOH   D 4 .   ? 17.525  72.454 75.669 1.00 52.99  ? 549 HOH   A O    1 
HETATM 2519 O  O    . HOH   D 4 .   ? -0.208  70.426 64.856 1.00 46.11  ? 550 HOH   A O    1 
HETATM 2520 O  O    . HOH   D 4 .   ? -1.864  71.668 66.506 1.00 38.01  ? 551 HOH   A O    1 
HETATM 2521 O  O    . HOH   D 4 .   ? -7.256  46.122 75.759 1.00 39.59  ? 552 HOH   A O    1 
HETATM 2522 O  O    . HOH   D 4 .   ? 3.323   79.738 74.140 1.00 37.51  ? 553 HOH   A O    1 
HETATM 2523 O  O    . HOH   D 4 .   ? -8.114  51.267 65.120 1.00 26.29  ? 554 HOH   A O    1 
HETATM 2524 O  O    . HOH   D 4 .   ? -6.234  57.034 55.321 1.00 33.67  ? 555 HOH   A O    1 
HETATM 2525 O  O    . HOH   D 4 .   ? -2.183  48.926 81.073 1.00 31.99  ? 556 HOH   A O    1 
HETATM 2526 O  O    . HOH   D 4 .   ? 12.144  74.263 70.937 1.00 35.48  ? 557 HOH   A O    1 
HETATM 2527 O  O    . HOH   D 4 .   ? -9.010  52.003 62.682 1.00 25.78  ? 558 HOH   A O    1 
HETATM 2528 O  O    . HOH   D 4 .   ? 17.608  51.974 77.358 1.00 31.71  ? 559 HOH   A O    1 
HETATM 2529 O  O    . HOH   D 4 .   ? 22.543  66.840 68.906 1.00 36.97  ? 560 HOH   A O    1 
HETATM 2530 O  O    . HOH   D 4 .   ? 14.431  47.782 78.189 1.00 34.26  ? 561 HOH   A O    1 
HETATM 2531 O  O    . HOH   D 4 .   ? 15.362  49.869 57.268 1.00 38.52  ? 562 HOH   A O    1 
HETATM 2532 O  O    . HOH   D 4 .   ? -9.070  51.770 68.189 1.00 31.20  ? 563 HOH   A O    1 
HETATM 2533 O  O    . HOH   D 4 .   ? 2.993   39.507 73.400 1.00 30.56  ? 564 HOH   A O    1 
HETATM 2534 O  O    . HOH   D 4 .   ? 11.616  61.538 62.034 1.00 32.81  ? 565 HOH   A O    1 
HETATM 2535 O  O    . HOH   D 4 .   ? -0.200  72.263 67.980 1.00 29.54  ? 566 HOH   A O    1 
HETATM 2536 O  O    . HOH   D 4 .   ? 15.895  42.850 70.168 1.00 22.67  ? 567 HOH   A O    1 
HETATM 2537 O  O    . HOH   D 4 .   ? -5.078  57.850 72.604 1.00 28.76  ? 568 HOH   A O    1 
HETATM 2538 O  O    . HOH   D 4 .   ? 0.375   62.613 83.501 1.00 36.64  ? 569 HOH   A O    1 
HETATM 2539 O  O    . HOH   D 4 .   ? -2.147  48.977 53.188 1.00 39.49  ? 570 HOH   A O    1 
HETATM 2540 O  O    . HOH   D 4 .   ? 19.023  57.361 58.151 1.00 40.03  ? 571 HOH   A O    1 
HETATM 2541 O  O    . HOH   D 4 .   ? -1.689  49.257 55.676 1.00 22.54  ? 572 HOH   A O    1 
HETATM 2542 O  O    . HOH   D 4 .   ? -6.882  69.524 63.757 1.00 41.26  ? 573 HOH   A O    1 
HETATM 2543 O  O    . HOH   D 4 .   ? 21.095  63.168 61.083 1.00 34.03  ? 574 HOH   A O    1 
HETATM 2544 O  O    . HOH   D 4 .   ? -10.341 76.244 66.701 1.00 46.71  ? 575 HOH   A O    1 
HETATM 2545 O  O    . HOH   D 4 .   ? -10.460 67.536 70.863 1.00 29.59  ? 576 HOH   A O    1 
HETATM 2546 O  O    . HOH   D 4 .   ? 17.018  49.466 77.720 1.00 36.61  ? 577 HOH   A O    1 
HETATM 2547 O  O    . HOH   D 4 .   ? 18.918  59.644 59.727 1.00 40.46  ? 578 HOH   A O    1 
HETATM 2548 O  O    . HOH   D 4 .   ? -11.363 66.047 68.684 1.00 27.56  ? 579 HOH   A O    1 
HETATM 2549 O  O    . HOH   D 4 .   ? -10.240 48.216 63.372 1.00 39.56  ? 580 HOH   A O    1 
HETATM 2550 O  O    . HOH   D 4 .   ? -7.712  69.713 73.422 1.00 29.44  ? 581 HOH   A O    1 
HETATM 2551 O  O    . HOH   D 4 .   ? 20.347  48.430 62.730 1.00 46.09  ? 582 HOH   A O    1 
HETATM 2552 O  O    . HOH   D 4 .   ? 3.985   35.289 73.701 1.00 33.28  ? 583 HOH   A O    1 
HETATM 2553 O  O    . HOH   D 4 .   ? -3.424  73.641 65.841 1.00 39.86  ? 584 HOH   A O    1 
HETATM 2554 O  O    . HOH   D 4 .   ? -6.328  50.839 56.718 1.00 27.82  ? 585 HOH   A O    1 
HETATM 2555 O  O    . HOH   D 4 .   ? 20.602  53.092 58.854 1.00 39.29  ? 586 HOH   A O    1 
HETATM 2556 O  O    . HOH   D 4 .   ? -5.924  56.960 75.065 1.00 32.04  ? 587 HOH   A O    1 
HETATM 2557 O  O    . HOH   D 4 .   ? -11.890 61.298 61.767 1.00 35.78  ? 588 HOH   A O    1 
HETATM 2558 O  O    . HOH   D 4 .   ? -6.201  77.919 64.304 1.00 38.18  ? 589 HOH   A O    1 
HETATM 2559 O  O    . HOH   D 4 .   ? 0.883   54.564 87.077 1.00 35.99  ? 590 HOH   A O    1 
HETATM 2560 O  O    . HOH   D 4 .   ? 22.642  59.901 63.740 1.00 30.13  ? 591 HOH   A O    1 
HETATM 2561 O  O    . HOH   D 4 .   ? -8.108  50.860 60.415 1.00 35.37  ? 592 HOH   A O    1 
HETATM 2562 O  O    . HOH   D 4 .   ? 1.548   38.886 65.875 1.00 30.86  ? 593 HOH   A O    1 
HETATM 2563 O  O    . HOH   D 4 .   ? 3.337   37.190 71.552 1.00 26.68  ? 594 HOH   A O    1 
HETATM 2564 O  O    . HOH   D 4 .   ? 18.828  50.879 57.981 1.00 48.45  ? 595 HOH   A O    1 
HETATM 2565 O  O    . HOH   D 4 .   ? 7.597   36.097 67.129 1.00 31.06  ? 596 HOH   A O    1 
HETATM 2566 O  O    . HOH   D 4 .   ? -6.845  52.703 58.513 1.00 24.38  ? 597 HOH   A O    1 
HETATM 2567 O  O    . HOH   D 4 .   ? 2.848   36.875 66.837 1.00 43.34  ? 598 HOH   A O    1 
HETATM 2568 O  O    . HOH   D 4 .   ? 0.901   36.399 70.552 1.00 32.68  ? 599 HOH   A O    1 
HETATM 2569 O  O    . HOH   D 4 .   ? -2.785  59.554 84.662 1.00 44.44  ? 600 HOH   A O    1 
HETATM 2570 O  O    . HOH   D 4 .   ? 23.490  64.294 60.878 1.00 38.02  ? 601 HOH   A O    1 
# 
