data_9KKP
# 
_entry.id   9KKP 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.403 
_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   9KKP         pdb_00009kkp 10.2210/pdb9kkp/pdb 
WWPDB D_1300053467 ?            ?                   
# 
loop_
_pdbx_audit_revision_history.ordinal 
_pdbx_audit_revision_history.data_content_type 
_pdbx_audit_revision_history.major_revision 
_pdbx_audit_revision_history.minor_revision 
_pdbx_audit_revision_history.revision_date 
_pdbx_audit_revision_history.part_number 
1 'Structure model' 1 0 2025-03-05 ? 
2 'Structure model' 1 1 2025-04-30 ? 
# 
_pdbx_audit_revision_details.ordinal             1 
_pdbx_audit_revision_details.revision_ordinal    1 
_pdbx_audit_revision_details.data_content_type   'Structure model' 
_pdbx_audit_revision_details.provider            repository 
_pdbx_audit_revision_details.type                'Initial release' 
_pdbx_audit_revision_details.description         ? 
_pdbx_audit_revision_details.details             ? 
# 
_pdbx_audit_revision_group.ordinal             1 
_pdbx_audit_revision_group.revision_ordinal    2 
_pdbx_audit_revision_group.data_content_type   'Structure model' 
_pdbx_audit_revision_group.group               'Database references' 
# 
_pdbx_audit_revision_category.ordinal             1 
_pdbx_audit_revision_category.revision_ordinal    2 
_pdbx_audit_revision_category.data_content_type   'Structure model' 
_pdbx_audit_revision_category.category            citation 
# 
_pdbx_audit_revision_item.ordinal             1 
_pdbx_audit_revision_item.revision_ordinal    2 
_pdbx_audit_revision_item.data_content_type   'Structure model' 
_pdbx_audit_revision_item.item                '_citation.journal_volume' 
# 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.entry_id                        9KKP 
_pdbx_database_status.recvd_initial_deposition_date   2024-11-14 
_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              tueno@bio.titech.ac.jp 
_pdbx_contact_author.name_first         Takafumi 
_pdbx_contact_author.name_last          Ueno 
_pdbx_contact_author.name_mi            ? 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0001-9219-0726 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Suzuki, T.'    1 0009-0000-0827-4485 
'Hishikawa, Y.' 2 0000-0002-4545-9195 
'Maity, B.'     3 0000-0001-9347-881X 
'Abe, S.'       4 0000-0002-7308-9670 
'Ueno, T.'      5 0000-0001-9219-0726 
# 
_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                   DE 
_citation.database_id_Medline       ? 
_citation.details                   ? 
_citation.id                        primary 
_citation.journal_abbrev            'Adv Sci' 
_citation.journal_id_ASTM           ? 
_citation.journal_id_CSD            ? 
_citation.journal_id_ISSN           2198-3844 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            12 
_citation.language                  ? 
_citation.page_first                e2417030 
_citation.page_last                 e2417030 
_citation.title                     
'Design of Aromatic Interaction Networks in a Protein Cage Modulated by Fluorescent Ligand Binding.' 
_citation.year                      2025 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      10.1002/advs.202417030 
_citation.pdbx_database_id_PubMed   39973762 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Hishikawa, Y.'  1  ?                   
primary 'Suzuki, T.'     2  ?                   
primary 'Maity, B.'      3  ?                   
primary 'Noya, H.'       4  ?                   
primary 'Yoshizawa, M.'  5  ?                   
primary 'Asanuma, A.'    6  ?                   
primary 'Katagiri, Y.'   7  ?                   
primary 'Abe, S.'        8  ?                   
primary 'Nagatoishi, S.' 9  ?                   
primary 'Tsumoto, K.'    10 ?                   
primary 'Ueno, T.'       11 0000-0001-9219-0726 
# 
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 'Ferritin light chain' 19952.709 1   ? E53F/E56F/E57F/R59F/E60F/E63F ? ? 
2 non-polymer syn 'CADMIUM ION'          112.411   6   ? ?                             ? ? 
3 non-polymer syn 'SULFATE ION'          96.063    1   ? ?                             ? ? 
4 non-polymer syn 'CHLORIDE ION'         35.453    1   ? ?                             ? ? 
5 non-polymer nat 1,2-ETHANEDIOL         62.068    3   ? ?                             ? ? 
6 non-polymer syn 'Nile Red'             318.369   1   ? ?                             ? ? 
7 water       nat water                  18.015    186 ? ?                             ? ? 
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        'Ferritin L subunit' 
# 
_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       
;SSQIRQNYSTEVEAAVNRLVNLYLRASYTYLSLGFYFDRDDVALEGVCHFFRFLAFFKFFGAFRLLKMQNQRGGRALFQD
LQKPSQDEWGTTLDAMKAAIVLEKSLNQALLDLHALGSAQADPHLCDFLESHFLDEEVKLIKKMGDHLTNIQRLVGSQAG
LGEYLFERLTLKHD
;
_entity_poly.pdbx_seq_one_letter_code_can   
;SSQIRQNYSTEVEAAVNRLVNLYLRASYTYLSLGFYFDRDDVALEGVCHFFRFLAFFKFFGAFRLLKMQNQRGGRALFQD
LQKPSQDEWGTTLDAMKAAIVLEKSLNQALLDLHALGSAQADPHLCDFLESHFLDEEVKLIKKMGDHLTNIQRLVGSQAG
LGEYLFERLTLKHD
;
_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 'CADMIUM ION'  CD    
3 'SULFATE ION'  SO4   
4 'CHLORIDE ION' CL    
5 1,2-ETHANEDIOL EDO   
6 'Nile Red'     A1L52 
7 water          HOH   
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   SER n 
1 2   SER n 
1 3   GLN n 
1 4   ILE n 
1 5   ARG n 
1 6   GLN n 
1 7   ASN n 
1 8   TYR n 
1 9   SER n 
1 10  THR n 
1 11  GLU n 
1 12  VAL n 
1 13  GLU n 
1 14  ALA n 
1 15  ALA n 
1 16  VAL n 
1 17  ASN n 
1 18  ARG n 
1 19  LEU n 
1 20  VAL n 
1 21  ASN n 
1 22  LEU n 
1 23  TYR n 
1 24  LEU n 
1 25  ARG n 
1 26  ALA n 
1 27  SER n 
1 28  TYR n 
1 29  THR n 
1 30  TYR n 
1 31  LEU n 
1 32  SER n 
1 33  LEU n 
1 34  GLY n 
1 35  PHE n 
1 36  TYR n 
1 37  PHE n 
1 38  ASP n 
1 39  ARG n 
1 40  ASP n 
1 41  ASP n 
1 42  VAL n 
1 43  ALA n 
1 44  LEU n 
1 45  GLU n 
1 46  GLY n 
1 47  VAL n 
1 48  CYS n 
1 49  HIS n 
1 50  PHE n 
1 51  PHE n 
1 52  ARG n 
1 53  PHE n 
1 54  LEU n 
1 55  ALA n 
1 56  PHE n 
1 57  PHE n 
1 58  LYS n 
1 59  PHE n 
1 60  PHE n 
1 61  GLY n 
1 62  ALA n 
1 63  PHE n 
1 64  ARG n 
1 65  LEU n 
1 66  LEU n 
1 67  LYS n 
1 68  MET n 
1 69  GLN n 
1 70  ASN n 
1 71  GLN n 
1 72  ARG n 
1 73  GLY n 
1 74  GLY n 
1 75  ARG n 
1 76  ALA n 
1 77  LEU n 
1 78  PHE n 
1 79  GLN n 
1 80  ASP n 
1 81  LEU n 
1 82  GLN n 
1 83  LYS n 
1 84  PRO n 
1 85  SER n 
1 86  GLN n 
1 87  ASP n 
1 88  GLU n 
1 89  TRP n 
1 90  GLY n 
1 91  THR n 
1 92  THR n 
1 93  LEU n 
1 94  ASP n 
1 95  ALA n 
1 96  MET n 
1 97  LYS n 
1 98  ALA n 
1 99  ALA n 
1 100 ILE n 
1 101 VAL n 
1 102 LEU n 
1 103 GLU n 
1 104 LYS n 
1 105 SER n 
1 106 LEU n 
1 107 ASN n 
1 108 GLN n 
1 109 ALA n 
1 110 LEU n 
1 111 LEU n 
1 112 ASP n 
1 113 LEU n 
1 114 HIS n 
1 115 ALA n 
1 116 LEU n 
1 117 GLY n 
1 118 SER n 
1 119 ALA n 
1 120 GLN n 
1 121 ALA n 
1 122 ASP n 
1 123 PRO n 
1 124 HIS n 
1 125 LEU n 
1 126 CYS n 
1 127 ASP n 
1 128 PHE n 
1 129 LEU n 
1 130 GLU n 
1 131 SER n 
1 132 HIS n 
1 133 PHE n 
1 134 LEU n 
1 135 ASP n 
1 136 GLU n 
1 137 GLU n 
1 138 VAL n 
1 139 LYS n 
1 140 LEU n 
1 141 ILE n 
1 142 LYS n 
1 143 LYS n 
1 144 MET n 
1 145 GLY n 
1 146 ASP n 
1 147 HIS n 
1 148 LEU n 
1 149 THR n 
1 150 ASN n 
1 151 ILE n 
1 152 GLN n 
1 153 ARG n 
1 154 LEU n 
1 155 VAL n 
1 156 GLY n 
1 157 SER n 
1 158 GLN n 
1 159 ALA n 
1 160 GLY n 
1 161 LEU n 
1 162 GLY n 
1 163 GLU n 
1 164 TYR n 
1 165 LEU n 
1 166 PHE n 
1 167 GLU n 
1 168 ARG n 
1 169 LEU n 
1 170 THR n 
1 171 LEU n 
1 172 LYS n 
1 173 HIS n 
1 174 ASP 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                   174 
_entity_src_gen.gene_src_common_name               horse 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 FTL 
_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      'Equus caballus' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     9796 
_entity_src_gen.pdbx_gene_src_variant              ? 
_entity_src_gen.pdbx_gene_src_cell_line            ? 
_entity_src_gen.pdbx_gene_src_atcc                 ? 
_entity_src_gen.pdbx_gene_src_organ                ? 
_entity_src_gen.pdbx_gene_src_organelle            ? 
_entity_src_gen.pdbx_gene_src_cell                 ? 
_entity_src_gen.pdbx_gene_src_cellular_location    ? 
_entity_src_gen.host_org_common_name               ? 
_entity_src_gen.pdbx_host_org_scientific_name      'Escherichia coli' 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     562 
_entity_src_gen.host_org_genus                     ? 
_entity_src_gen.pdbx_host_org_gene                 ? 
_entity_src_gen.pdbx_host_org_organ                ? 
_entity_src_gen.host_org_species                   ? 
_entity_src_gen.pdbx_host_org_tissue               ? 
_entity_src_gen.pdbx_host_org_tissue_fraction      ? 
_entity_src_gen.pdbx_host_org_strain               ? 
_entity_src_gen.pdbx_host_org_variant              ? 
_entity_src_gen.pdbx_host_org_cell_line            ? 
_entity_src_gen.pdbx_host_org_atcc                 ? 
_entity_src_gen.pdbx_host_org_culture_collection   ? 
_entity_src_gen.pdbx_host_org_cell                 ? 
_entity_src_gen.pdbx_host_org_organelle            ? 
_entity_src_gen.pdbx_host_org_cellular_location    ? 
_entity_src_gen.pdbx_host_org_vector_type          ? 
_entity_src_gen.pdbx_host_org_vector               ? 
_entity_src_gen.host_org_details                   ? 
_entity_src_gen.expression_system_id               ? 
_entity_src_gen.plasmid_name                       ? 
_entity_src_gen.plasmid_details                    ? 
_entity_src_gen.pdbx_description                   ? 
# 
loop_
_chem_comp.id 
_chem_comp.type 
_chem_comp.mon_nstd_flag 
_chem_comp.name 
_chem_comp.pdbx_synonyms 
_chem_comp.formula 
_chem_comp.formula_weight 
A1L52 non-polymer         . 'Nile Red'      '9-(diethylamino)benzo[a]phenoxazin-5-one; Nile Blue A Oxazone' 'C20 H18 N2 O2'  
318.369 
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 
CD    non-polymer         . 'CADMIUM ION'   ?                                                               'Cd 2'           
112.411 
CL    non-polymer         . 'CHLORIDE ION'  ?                                                               'Cl -1'          
35.453  
CYS   'L-peptide linking' y CYSTEINE        ?                                                               'C3 H7 N O2 S'   
121.158 
EDO   non-polymer         . 1,2-ETHANEDIOL  'ETHYLENE GLYCOL'                                               'C2 H6 O2'       
62.068  
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 
SO4   non-polymer         . 'SULFATE ION'   ?                                                               'O4 S -2'        
96.063  
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   SER 1   1   1   SER SER A . n 
A 1 2   SER 2   2   2   SER SER A . n 
A 1 3   GLN 3   3   3   GLN GLN A . n 
A 1 4   ILE 4   4   4   ILE ILE A . n 
A 1 5   ARG 5   5   5   ARG ARG A . n 
A 1 6   GLN 6   6   6   GLN GLN A . n 
A 1 7   ASN 7   7   7   ASN ASN A . n 
A 1 8   TYR 8   8   8   TYR TYR A . n 
A 1 9   SER 9   9   9   SER SER A . n 
A 1 10  THR 10  10  10  THR THR A . n 
A 1 11  GLU 11  11  11  GLU GLU A . n 
A 1 12  VAL 12  12  12  VAL VAL A . n 
A 1 13  GLU 13  13  13  GLU GLU A . n 
A 1 14  ALA 14  14  14  ALA ALA A . n 
A 1 15  ALA 15  15  15  ALA ALA A . n 
A 1 16  VAL 16  16  16  VAL VAL A . n 
A 1 17  ASN 17  17  17  ASN ASN A . n 
A 1 18  ARG 18  18  18  ARG ARG A . n 
A 1 19  LEU 19  19  19  LEU LEU A . n 
A 1 20  VAL 20  20  20  VAL VAL A . n 
A 1 21  ASN 21  21  21  ASN ASN A . n 
A 1 22  LEU 22  22  22  LEU LEU A . n 
A 1 23  TYR 23  23  23  TYR TYR A . n 
A 1 24  LEU 24  24  24  LEU LEU A . n 
A 1 25  ARG 25  25  25  ARG ARG A . n 
A 1 26  ALA 26  26  26  ALA ALA A . n 
A 1 27  SER 27  27  27  SER SER A . n 
A 1 28  TYR 28  28  28  TYR TYR A . n 
A 1 29  THR 29  29  29  THR THR A . n 
A 1 30  TYR 30  30  30  TYR TYR A . n 
A 1 31  LEU 31  31  31  LEU LEU A . n 
A 1 32  SER 32  32  32  SER SER A . n 
A 1 33  LEU 33  33  33  LEU LEU A . n 
A 1 34  GLY 34  34  34  GLY GLY A . n 
A 1 35  PHE 35  35  35  PHE PHE A . n 
A 1 36  TYR 36  36  36  TYR TYR A . n 
A 1 37  PHE 37  37  37  PHE PHE A . n 
A 1 38  ASP 38  38  38  ASP ASP A . n 
A 1 39  ARG 39  39  39  ARG ARG A . n 
A 1 40  ASP 40  40  40  ASP ASP A . n 
A 1 41  ASP 41  41  41  ASP ASP A . n 
A 1 42  VAL 42  42  42  VAL VAL A . n 
A 1 43  ALA 43  43  43  ALA ALA A . n 
A 1 44  LEU 44  44  44  LEU LEU A . n 
A 1 45  GLU 45  45  45  GLU GLU A . n 
A 1 46  GLY 46  46  46  GLY GLY A . n 
A 1 47  VAL 47  47  47  VAL VAL A . n 
A 1 48  CYS 48  48  48  CYS CYS A . n 
A 1 49  HIS 49  49  49  HIS HIS A . n 
A 1 50  PHE 50  50  50  PHE PHE A . n 
A 1 51  PHE 51  51  51  PHE PHE A . n 
A 1 52  ARG 52  52  52  ARG ARG A . n 
A 1 53  PHE 53  53  53  PHE PHE A . n 
A 1 54  LEU 54  54  54  LEU LEU A . n 
A 1 55  ALA 55  55  55  ALA ALA A . n 
A 1 56  PHE 56  56  56  PHE PHE A . n 
A 1 57  PHE 57  57  57  PHE PHE A . n 
A 1 58  LYS 58  58  58  LYS LYS A . n 
A 1 59  PHE 59  59  59  PHE PHE A . n 
A 1 60  PHE 60  60  60  PHE PHE A . n 
A 1 61  GLY 61  61  61  GLY GLY A . n 
A 1 62  ALA 62  62  62  ALA ALA A . n 
A 1 63  PHE 63  63  63  PHE PHE A . n 
A 1 64  ARG 64  64  64  ARG ARG A . n 
A 1 65  LEU 65  65  65  LEU LEU A . n 
A 1 66  LEU 66  66  66  LEU LEU A . n 
A 1 67  LYS 67  67  67  LYS LYS A . n 
A 1 68  MET 68  68  68  MET MET A . n 
A 1 69  GLN 69  69  69  GLN GLN A . n 
A 1 70  ASN 70  70  70  ASN ASN A . n 
A 1 71  GLN 71  71  71  GLN GLN A . n 
A 1 72  ARG 72  72  72  ARG ARG A . n 
A 1 73  GLY 73  73  73  GLY GLY A . n 
A 1 74  GLY 74  74  74  GLY GLY A . n 
A 1 75  ARG 75  75  75  ARG ARG A . n 
A 1 76  ALA 76  76  76  ALA ALA A . n 
A 1 77  LEU 77  77  77  LEU LEU A . n 
A 1 78  PHE 78  78  78  PHE PHE A . n 
A 1 79  GLN 79  79  79  GLN GLN A . n 
A 1 80  ASP 80  80  80  ASP ASP A . n 
A 1 81  LEU 81  81  81  LEU LEU A . n 
A 1 82  GLN 82  82  82  GLN ALA A . n 
A 1 83  LYS 83  83  83  LYS LYS A . n 
A 1 84  PRO 84  84  84  PRO PRO A . n 
A 1 85  SER 85  85  85  SER SER A . n 
A 1 86  GLN 86  86  86  GLN GLN A . n 
A 1 87  ASP 87  87  87  ASP ASP A . n 
A 1 88  GLU 88  88  88  GLU GLU A . n 
A 1 89  TRP 89  89  89  TRP TRP A . n 
A 1 90  GLY 90  90  90  GLY GLY A . n 
A 1 91  THR 91  91  91  THR THR A . n 
A 1 92  THR 92  92  92  THR THR A . n 
A 1 93  LEU 93  93  93  LEU LEU A . n 
A 1 94  ASP 94  94  94  ASP ASP A . n 
A 1 95  ALA 95  95  95  ALA ALA A . n 
A 1 96  MET 96  96  96  MET MET A . n 
A 1 97  LYS 97  97  97  LYS LYS A . n 
A 1 98  ALA 98  98  98  ALA ALA A . n 
A 1 99  ALA 99  99  99  ALA ALA A . n 
A 1 100 ILE 100 100 100 ILE ILE A . n 
A 1 101 VAL 101 101 101 VAL VAL A . n 
A 1 102 LEU 102 102 102 LEU LEU A . n 
A 1 103 GLU 103 103 103 GLU GLU A . n 
A 1 104 LYS 104 104 104 LYS LYS A . n 
A 1 105 SER 105 105 105 SER SER A . n 
A 1 106 LEU 106 106 106 LEU LEU A . n 
A 1 107 ASN 107 107 107 ASN ASN A . n 
A 1 108 GLN 108 108 108 GLN GLN A . n 
A 1 109 ALA 109 109 109 ALA ALA A . n 
A 1 110 LEU 110 110 110 LEU LEU A . n 
A 1 111 LEU 111 111 111 LEU LEU A . n 
A 1 112 ASP 112 112 112 ASP ASP A . n 
A 1 113 LEU 113 113 113 LEU LEU A . n 
A 1 114 HIS 114 114 114 HIS HIS A . n 
A 1 115 ALA 115 115 115 ALA ALA A . n 
A 1 116 LEU 116 116 116 LEU LEU A . n 
A 1 117 GLY 117 117 117 GLY GLY A . n 
A 1 118 SER 118 118 118 SER SER A . n 
A 1 119 ALA 119 119 119 ALA ALA A . n 
A 1 120 GLN 120 120 120 GLN GLN A . n 
A 1 121 ALA 121 121 121 ALA ALA A . n 
A 1 122 ASP 122 122 122 ASP ASP A . n 
A 1 123 PRO 123 123 123 PRO PRO A . n 
A 1 124 HIS 124 124 124 HIS HIS A . n 
A 1 125 LEU 125 125 125 LEU LEU A . n 
A 1 126 CYS 126 126 126 CYS CYS A . n 
A 1 127 ASP 127 127 127 ASP ASP A . n 
A 1 128 PHE 128 128 128 PHE PHE A . n 
A 1 129 LEU 129 129 129 LEU LEU A . n 
A 1 130 GLU 130 130 130 GLU GLU A . n 
A 1 131 SER 131 131 131 SER SER A . n 
A 1 132 HIS 132 132 132 HIS HIS A . n 
A 1 133 PHE 133 133 133 PHE PHE A . n 
A 1 134 LEU 134 134 134 LEU LEU A . n 
A 1 135 ASP 135 135 135 ASP ASP A . n 
A 1 136 GLU 136 136 136 GLU GLU A . n 
A 1 137 GLU 137 137 137 GLU GLU A . n 
A 1 138 VAL 138 138 138 VAL VAL A . n 
A 1 139 LYS 139 139 139 LYS LYS A . n 
A 1 140 LEU 140 140 140 LEU LEU A . n 
A 1 141 ILE 141 141 141 ILE ILE A . n 
A 1 142 LYS 142 142 142 LYS LYS A . n 
A 1 143 LYS 143 143 143 LYS LYS A . n 
A 1 144 MET 144 144 144 MET MET A . n 
A 1 145 GLY 145 145 145 GLY GLY A . n 
A 1 146 ASP 146 146 146 ASP ASP A . n 
A 1 147 HIS 147 147 147 HIS HIS A . n 
A 1 148 LEU 148 148 148 LEU LEU A . n 
A 1 149 THR 149 149 149 THR THR A . n 
A 1 150 ASN 150 150 150 ASN ASN A . n 
A 1 151 ILE 151 151 151 ILE ILE A . n 
A 1 152 GLN 152 152 152 GLN GLN A . n 
A 1 153 ARG 153 153 153 ARG ARG A . n 
A 1 154 LEU 154 154 154 LEU LEU A . n 
A 1 155 VAL 155 155 155 VAL VAL A . n 
A 1 156 GLY 156 156 156 GLY GLY A . n 
A 1 157 SER 157 157 157 SER SER A . n 
A 1 158 GLN 158 158 158 GLN GLN A . n 
A 1 159 ALA 159 159 159 ALA ALA A . n 
A 1 160 GLY 160 160 160 GLY GLY A . n 
A 1 161 LEU 161 161 161 LEU LEU A . n 
A 1 162 GLY 162 162 162 GLY GLY A . n 
A 1 163 GLU 163 163 163 GLU GLU A . n 
A 1 164 TYR 164 164 164 TYR TYR A . n 
A 1 165 LEU 165 165 165 LEU LEU A . n 
A 1 166 PHE 166 166 166 PHE PHE A . n 
A 1 167 GLU 167 167 167 GLU GLU A . n 
A 1 168 ARG 168 168 168 ARG ARG A . n 
A 1 169 LEU 169 169 169 LEU LEU A . n 
A 1 170 THR 170 170 170 THR THR A . n 
A 1 171 LEU 171 171 171 LEU LEU A . n 
A 1 172 LYS 172 172 172 LYS LYS A . n 
A 1 173 HIS 173 173 173 HIS HIS A . n 
A 1 174 ASP 174 174 ?   ?   ?   A . n 
# 
_pdbx_entity_instance_feature.ordinal        1 
_pdbx_entity_instance_feature.comp_id        A1L52 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   A1L52 
_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 CD    1   201 1    CD    CD  A . 
C 2 CD    1   202 2    CD    CD  A . 
D 2 CD    1   203 3    CD    CD  A . 
E 2 CD    1   204 4    CD    CD  A . 
F 2 CD    1   205 5    CD    CD  A . 
G 2 CD    1   206 6    CD    CD  A . 
H 3 SO4   1   207 1    SO4   SO4 A . 
I 4 CL    1   208 1    CL    CL  A . 
J 5 EDO   1   209 401  EDO   EDO A . 
K 5 EDO   1   210 601  EDO   EDO A . 
L 5 EDO   1   211 1001 EDO   EDO A . 
M 6 A1L52 1   212 1101 A1L52 NRE A . 
N 7 HOH   1   301 245  HOH   HOH A . 
N 7 HOH   2   302 253  HOH   HOH A . 
N 7 HOH   3   303 239  HOH   HOH A . 
N 7 HOH   4   304 218  HOH   HOH A . 
N 7 HOH   5   305 108  HOH   HOH A . 
N 7 HOH   6   306 156  HOH   HOH A . 
N 7 HOH   7   307 244  HOH   HOH A . 
N 7 HOH   8   308 226  HOH   HOH A . 
N 7 HOH   9   309 117  HOH   HOH A . 
N 7 HOH   10  310 145  HOH   HOH A . 
N 7 HOH   11  311 228  HOH   HOH A . 
N 7 HOH   12  312 75   HOH   HOH A . 
N 7 HOH   13  313 242  HOH   HOH A . 
N 7 HOH   14  314 105  HOH   HOH A . 
N 7 HOH   15  315 158  HOH   HOH A . 
N 7 HOH   16  316 66   HOH   HOH A . 
N 7 HOH   17  317 34   HOH   HOH A . 
N 7 HOH   18  318 12   HOH   HOH A . 
N 7 HOH   19  319 24   HOH   HOH A . 
N 7 HOH   20  320 78   HOH   HOH A . 
N 7 HOH   21  321 227  HOH   HOH A . 
N 7 HOH   22  322 50   HOH   HOH A . 
N 7 HOH   23  323 52   HOH   HOH A . 
N 7 HOH   24  324 29   HOH   HOH A . 
N 7 HOH   25  325 197  HOH   HOH A . 
N 7 HOH   26  326 237  HOH   HOH A . 
N 7 HOH   27  327 30   HOH   HOH A . 
N 7 HOH   28  328 188  HOH   HOH A . 
N 7 HOH   29  329 48   HOH   HOH A . 
N 7 HOH   30  330 40   HOH   HOH A . 
N 7 HOH   31  331 97   HOH   HOH A . 
N 7 HOH   32  332 194  HOH   HOH A . 
N 7 HOH   33  333 10   HOH   HOH A . 
N 7 HOH   34  334 27   HOH   HOH A . 
N 7 HOH   35  335 4    HOH   HOH A . 
N 7 HOH   36  336 76   HOH   HOH A . 
N 7 HOH   37  337 55   HOH   HOH A . 
N 7 HOH   38  338 104  HOH   HOH A . 
N 7 HOH   39  339 19   HOH   HOH A . 
N 7 HOH   40  340 238  HOH   HOH A . 
N 7 HOH   41  341 56   HOH   HOH A . 
N 7 HOH   42  342 125  HOH   HOH A . 
N 7 HOH   43  343 93   HOH   HOH A . 
N 7 HOH   44  344 45   HOH   HOH A . 
N 7 HOH   45  345 223  HOH   HOH A . 
N 7 HOH   46  346 43   HOH   HOH A . 
N 7 HOH   47  347 243  HOH   HOH A . 
N 7 HOH   48  348 180  HOH   HOH A . 
N 7 HOH   49  349 51   HOH   HOH A . 
N 7 HOH   50  350 5    HOH   HOH A . 
N 7 HOH   51  351 17   HOH   HOH A . 
N 7 HOH   52  352 7    HOH   HOH A . 
N 7 HOH   53  353 136  HOH   HOH A . 
N 7 HOH   54  354 35   HOH   HOH A . 
N 7 HOH   55  355 21   HOH   HOH A . 
N 7 HOH   56  356 234  HOH   HOH A . 
N 7 HOH   57  357 15   HOH   HOH A . 
N 7 HOH   58  358 192  HOH   HOH A . 
N 7 HOH   59  359 216  HOH   HOH A . 
N 7 HOH   60  360 143  HOH   HOH A . 
N 7 HOH   61  361 37   HOH   HOH A . 
N 7 HOH   62  362 189  HOH   HOH A . 
N 7 HOH   63  363 28   HOH   HOH A . 
N 7 HOH   64  364 31   HOH   HOH A . 
N 7 HOH   65  365 13   HOH   HOH A . 
N 7 HOH   66  366 248  HOH   HOH A . 
N 7 HOH   67  367 96   HOH   HOH A . 
N 7 HOH   68  368 20   HOH   HOH A . 
N 7 HOH   69  369 146  HOH   HOH A . 
N 7 HOH   70  370 58   HOH   HOH A . 
N 7 HOH   71  371 151  HOH   HOH A . 
N 7 HOH   72  372 123  HOH   HOH A . 
N 7 HOH   73  373 67   HOH   HOH A . 
N 7 HOH   74  374 164  HOH   HOH A . 
N 7 HOH   75  375 41   HOH   HOH A . 
N 7 HOH   76  376 25   HOH   HOH A . 
N 7 HOH   77  377 127  HOH   HOH A . 
N 7 HOH   78  378 3    HOH   HOH A . 
N 7 HOH   79  379 116  HOH   HOH A . 
N 7 HOH   80  380 150  HOH   HOH A . 
N 7 HOH   81  381 59   HOH   HOH A . 
N 7 HOH   82  382 163  HOH   HOH A . 
N 7 HOH   83  383 22   HOH   HOH A . 
N 7 HOH   84  384 23   HOH   HOH A . 
N 7 HOH   85  385 16   HOH   HOH A . 
N 7 HOH   86  386 247  HOH   HOH A . 
N 7 HOH   87  387 225  HOH   HOH A . 
N 7 HOH   88  388 60   HOH   HOH A . 
N 7 HOH   89  389 215  HOH   HOH A . 
N 7 HOH   90  390 152  HOH   HOH A . 
N 7 HOH   91  391 148  HOH   HOH A . 
N 7 HOH   92  392 71   HOH   HOH A . 
N 7 HOH   93  393 1    HOH   HOH A . 
N 7 HOH   94  394 250  HOH   HOH A . 
N 7 HOH   95  395 99   HOH   HOH A . 
N 7 HOH   96  396 2    HOH   HOH A . 
N 7 HOH   97  397 186  HOH   HOH A . 
N 7 HOH   98  398 38   HOH   HOH A . 
N 7 HOH   99  399 54   HOH   HOH A . 
N 7 HOH   100 400 246  HOH   HOH A . 
N 7 HOH   101 401 169  HOH   HOH A . 
N 7 HOH   102 402 233  HOH   HOH A . 
N 7 HOH   103 403 118  HOH   HOH A . 
N 7 HOH   104 404 84   HOH   HOH A . 
N 7 HOH   105 405 257  HOH   HOH A . 
N 7 HOH   106 406 62   HOH   HOH A . 
N 7 HOH   107 407 53   HOH   HOH A . 
N 7 HOH   108 408 167  HOH   HOH A . 
N 7 HOH   109 409 64   HOH   HOH A . 
N 7 HOH   110 410 205  HOH   HOH A . 
N 7 HOH   111 411 42   HOH   HOH A . 
N 7 HOH   112 412 224  HOH   HOH A . 
N 7 HOH   113 413 182  HOH   HOH A . 
N 7 HOH   114 414 39   HOH   HOH A . 
N 7 HOH   115 415 207  HOH   HOH A . 
N 7 HOH   116 416 92   HOH   HOH A . 
N 7 HOH   117 417 251  HOH   HOH A . 
N 7 HOH   118 418 249  HOH   HOH A . 
N 7 HOH   119 419 80   HOH   HOH A . 
N 7 HOH   120 420 187  HOH   HOH A . 
N 7 HOH   121 421 49   HOH   HOH A . 
N 7 HOH   122 422 115  HOH   HOH A . 
N 7 HOH   123 423 69   HOH   HOH A . 
N 7 HOH   124 424 254  HOH   HOH A . 
N 7 HOH   125 425 160  HOH   HOH A . 
N 7 HOH   126 426 14   HOH   HOH A . 
N 7 HOH   127 427 149  HOH   HOH A . 
N 7 HOH   128 428 154  HOH   HOH A . 
N 7 HOH   129 429 81   HOH   HOH A . 
N 7 HOH   130 430 208  HOH   HOH A . 
N 7 HOH   131 431 240  HOH   HOH A . 
N 7 HOH   132 432 61   HOH   HOH A . 
N 7 HOH   133 433 235  HOH   HOH A . 
N 7 HOH   134 434 144  HOH   HOH A . 
N 7 HOH   135 435 110  HOH   HOH A . 
N 7 HOH   136 436 109  HOH   HOH A . 
N 7 HOH   137 437 255  HOH   HOH A . 
N 7 HOH   138 438 203  HOH   HOH A . 
N 7 HOH   139 439 126  HOH   HOH A . 
N 7 HOH   140 440 82   HOH   HOH A . 
N 7 HOH   141 441 129  HOH   HOH A . 
N 7 HOH   142 442 6    HOH   HOH A . 
N 7 HOH   143 443 46   HOH   HOH A . 
N 7 HOH   144 444 168  HOH   HOH A . 
N 7 HOH   145 445 211  HOH   HOH A . 
N 7 HOH   146 446 44   HOH   HOH A . 
N 7 HOH   147 447 198  HOH   HOH A . 
N 7 HOH   148 448 219  HOH   HOH A . 
N 7 HOH   149 449 155  HOH   HOH A . 
N 7 HOH   150 450 147  HOH   HOH A . 
N 7 HOH   151 451 74   HOH   HOH A . 
N 7 HOH   152 452 95   HOH   HOH A . 
N 7 HOH   153 453 138  HOH   HOH A . 
N 7 HOH   154 454 141  HOH   HOH A . 
N 7 HOH   155 455 252  HOH   HOH A . 
N 7 HOH   156 456 256  HOH   HOH A . 
N 7 HOH   157 457 190  HOH   HOH A . 
N 7 HOH   158 458 91   HOH   HOH A . 
N 7 HOH   159 459 210  HOH   HOH A . 
N 7 HOH   160 460 122  HOH   HOH A . 
N 7 HOH   161 461 212  HOH   HOH A . 
N 7 HOH   162 462 85   HOH   HOH A . 
N 7 HOH   163 463 174  HOH   HOH A . 
N 7 HOH   164 464 159  HOH   HOH A . 
N 7 HOH   165 465 191  HOH   HOH A . 
N 7 HOH   166 466 153  HOH   HOH A . 
N 7 HOH   167 467 139  HOH   HOH A . 
N 7 HOH   168 468 200  HOH   HOH A . 
N 7 HOH   169 469 124  HOH   HOH A . 
N 7 HOH   170 470 222  HOH   HOH A . 
N 7 HOH   171 471 68   HOH   HOH A . 
N 7 HOH   172 472 89   HOH   HOH A . 
N 7 HOH   173 473 241  HOH   HOH A . 
N 7 HOH   174 474 177  HOH   HOH A . 
N 7 HOH   175 475 166  HOH   HOH A . 
N 7 HOH   176 476 65   HOH   HOH A . 
N 7 HOH   177 477 176  HOH   HOH A . 
N 7 HOH   178 478 185  HOH   HOH A . 
N 7 HOH   179 479 201  HOH   HOH A . 
N 7 HOH   180 480 140  HOH   HOH A . 
N 7 HOH   181 481 173  HOH   HOH A . 
N 7 HOH   182 482 165  HOH   HOH A . 
N 7 HOH   183 483 209  HOH   HOH A . 
N 7 HOH   184 484 120  HOH   HOH A . 
N 7 HOH   185 485 128  HOH   HOH A . 
N 7 HOH   186 486 206  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 SER 1   ? CB  ? A SER 1   CB  
2  1 Y 1 A SER 1   ? OG  ? A SER 1   OG  
3  1 Y 1 A GLN 82  ? CG  ? A GLN 82  CG  
4  1 Y 1 A GLN 82  ? CD  ? A GLN 82  CD  
5  1 Y 1 A GLN 82  ? OE1 ? A GLN 82  OE1 
6  1 Y 1 A GLN 82  ? NE2 ? A GLN 82  NE2 
7  1 Y 1 A GLU 136 ? CD  ? A GLU 136 CD  
8  1 Y 1 A GLU 136 ? OE1 ? A GLU 136 OE1 
9  1 Y 1 A GLU 136 ? OE2 ? A GLU 136 OE2 
10 1 Y 1 A SER 157 ? CB  ? A SER 157 CB  
11 1 Y 1 A SER 157 ? OG  ? A SER 157 OG  
12 1 Y 1 A GLN 158 ? CG  ? A GLN 158 CG  
13 1 Y 1 A GLN 158 ? CD  ? A GLN 158 CD  
14 1 Y 1 A GLN 158 ? OE1 ? A GLN 158 OE1 
15 1 Y 1 A GLN 158 ? NE2 ? A GLN 158 NE2 
16 1 Y 1 A LYS 172 ? CG  ? A LYS 172 CG  
17 1 Y 1 A LYS 172 ? CD  ? A LYS 172 CD  
18 1 Y 1 A LYS 172 ? CE  ? A LYS 172 CE  
19 1 Y 1 A LYS 172 ? NZ  ? A LYS 172 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 
? 'data collection' ? ? ? ? ? ? ? ? ? ? ? CrysalisPro ? ? ? . 1 
? 'data reduction'  ? ? ? ? ? ? ? ? ? ? ? CrysalisPro ? ? ? . 2 
? 'data scaling'    ? ? ? ? ? ? ? ? ? ? ? Aimless     ? ? ? . 3 
? phasing           ? ? ? ? ? ? ? ? ? ? ? MOLREP      ? ? ? . 4 
? refinement        ? ? ? ? ? ? ? ? ? ? ? REFMAC      ? ? ? 5 5 
? 'model building'  ? ? ? ? ? ? ? ? ? ? ? Coot        ? ? ? . 6 
# 
_cell.angle_alpha                  90.000 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   90.000 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  90.000 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     9KKP 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     181.511 
_cell.length_a_esd                 ? 
_cell.length_b                     181.511 
_cell.length_b_esd                 ? 
_cell.length_c                     181.511 
_cell.length_c_esd                 ? 
_cell.volume                       ? 
_cell.volume_esd                   ? 
_cell.Z_PDB                        96 
_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                         9KKP 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                209 
_symmetry.space_group_name_Hall            ? 
_symmetry.space_group_name_H-M             'F 4 3 2' 
_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                   9KKP 
_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             3.12 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          60.60 
_exptl_crystal.description                  ? 
_exptl_crystal.F_000                        ? 
_exptl_crystal.id                           1 
_exptl_crystal.preparation                  ? 
_exptl_crystal.size_max                     ? 
_exptl_crystal.size_mid                     ? 
_exptl_crystal.size_min                     ? 
_exptl_crystal.size_rad                     ? 
_exptl_crystal.colour_lustre                ? 
_exptl_crystal.colour_modifier              ? 
_exptl_crystal.colour_primary               ? 
_exptl_crystal.density_meas                 ? 
_exptl_crystal.density_meas_esd             ? 
_exptl_crystal.density_meas_gt              ? 
_exptl_crystal.density_meas_lt              ? 
_exptl_crystal.density_meas_temp            ? 
_exptl_crystal.density_meas_temp_esd        ? 
_exptl_crystal.density_meas_temp_gt         ? 
_exptl_crystal.density_meas_temp_lt         ? 
_exptl_crystal.pdbx_crystal_image_url       ? 
_exptl_crystal.pdbx_crystal_image_format    ? 
_exptl_crystal.pdbx_mosaicity               ? 
_exptl_crystal.pdbx_mosaicity_esd           ? 
_exptl_crystal.pdbx_mosaic_method           ? 
_exptl_crystal.pdbx_mosaic_block_size       ? 
_exptl_crystal.pdbx_mosaic_block_size_esd   ? 
# 
_exptl_crystal_grow.apparatus       ? 
_exptl_crystal_grow.atmosphere      ? 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.details         ? 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, HANGING DROP' 
_exptl_crystal_grow.method_ref      ? 
_exptl_crystal_grow.pH              8.0 
_exptl_crystal_grow.pressure        ? 
_exptl_crystal_grow.pressure_esd    ? 
_exptl_crystal_grow.seeding         ? 
_exptl_crystal_grow.seeding_ref     ? 
_exptl_crystal_grow.temp_details    Incubation 
_exptl_crystal_grow.temp_esd        ? 
_exptl_crystal_grow.time            ? 
_exptl_crystal_grow.pdbx_details    'Ammonium sulfate, Cadmium sulfate' 
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            293 
# 
_diffrn.ambient_environment              ? 
_diffrn.ambient_temp                     93 
_diffrn.ambient_temp_details             'Liquid N2 vapour' 
_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                         'RIGAKU HyPix-6000HE' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2021-01-19 
_diffrn_detector.pdbx_frequency               ? 
_diffrn_detector.id                           ? 
_diffrn_detector.number_of_axes               ? 
# 
_diffrn_radiation.collimation                      ? 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.filter_edge                      ? 
_diffrn_radiation.inhomogeneity                    ? 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.polarisn_norm                    ? 
_diffrn_radiation.polarisn_ratio                   ? 
_diffrn_radiation.probe                            ? 
_diffrn_radiation.type                             ? 
_diffrn_radiation.xray_symbol                      ? 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   M 
_diffrn_radiation.pdbx_wavelength_list             ? 
_diffrn_radiation.pdbx_wavelength                  ? 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_analyzer                    ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   1.54184 
_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                      'ROTATING ANODE' 
_diffrn_source.target                      ? 
_diffrn_source.type                        'RIGAKU FR-E DW' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        1.54184 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   ? 
_diffrn_source.pdbx_synchrotron_site       ? 
# 
_reflns.B_iso_Wilson_estimate                          ? 
_reflns.entry_id                                       9KKP 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.60 
_reflns.d_resolution_low                               17.80 
_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                                     34271 
_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                           99.9 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                10.0 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          29.8 
_reflns.pdbx_res_netI_over_av_sigmaI_2                 ? 
_reflns.pdbx_res_netI_over_sigmaI_2                    ? 
_reflns.pdbx_chi_squared                               0.98 
_reflns.pdbx_scaling_rejects                           ? 
_reflns.pdbx_d_res_high_opt                            ? 
_reflns.pdbx_d_res_low_opt                             ? 
_reflns.pdbx_d_res_opt_method                          ? 
_reflns.phase_calculation_details                      ? 
_reflns.pdbx_Rrim_I_all                                0.057 
_reflns.pdbx_Rpim_I_all                                0.017 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       ? 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   1.000 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              0.055 
_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                                    1.60 
_reflns_shell.d_res_low                                     1.63 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           3.4 
_reflns_shell.number_measured_all                           ? 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             1662 
_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                               6.3 
_reflns_shell.pdbx_chi_squared                              0.93 
_reflns_shell.pdbx_netI_over_sigmaI_all                     ? 
_reflns_shell.pdbx_netI_over_sigmaI_obs                     ? 
_reflns_shell.pdbx_Rrim_I_all                               0.559 
_reflns_shell.pdbx_Rpim_I_all                               0.217 
_reflns_shell.pdbx_rejects                                  ? 
_reflns_shell.pdbx_ordinal                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  0.904 
_reflns_shell.pdbx_CC_star                                  ? 
_reflns_shell.pdbx_R_split                                  ? 
_reflns_shell.percent_possible_all                          100.0 
_reflns_shell.Rmerge_I_all                                  ? 
_reflns_shell.Rmerge_I_obs                                  0.513 
_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]                            0.000 
_refine.aniso_B[1][2]                            0.000 
_refine.aniso_B[1][3]                            0.000 
_refine.aniso_B[2][2]                            0.000 
_refine.aniso_B[2][3]                            0.000 
_refine.aniso_B[3][3]                            0.000 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               12.354 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               0.964 
_refine.correlation_coeff_Fo_to_Fc_free          0.955 
_refine.details                                  'Hydrogens have been added in their riding positions' 
_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                                 9KKP 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_abs_structure_details                 ? 
_refine.ls_abs_structure_Flack                   ? 
_refine.ls_abs_structure_Flack_esd               ? 
_refine.ls_abs_structure_Rogers                  ? 
_refine.ls_abs_structure_Rogers_esd              ? 
_refine.ls_d_res_high                            1.600 
_refine.ls_d_res_low                             17.799 
_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                     34121 
_refine.ls_number_reflns_R_free                  1708 
_refine.ls_number_reflns_R_work                  32413 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.429 
_refine.ls_percent_reflns_R_free                 5.006 
_refine.ls_R_factor_all                          0.165 
_refine.ls_R_factor_obs                          ? 
_refine.ls_R_factor_R_free                       0.1858 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.1640 
_refine.ls_R_Fsqd_factor_obs                     ? 
_refine.ls_R_I_factor_obs                        ? 
_refine.ls_redundancy_reflns_all                 ? 
_refine.ls_redundancy_reflns_obs                 ? 
_refine.ls_restrained_S_all                      ? 
_refine.ls_restrained_S_obs                      ? 
_refine.ls_shift_over_esd_max                    ? 
_refine.ls_shift_over_esd_mean                   ? 
_refine.ls_structure_factor_coef                 ? 
_refine.ls_weighting_details                     ? 
_refine.ls_weighting_scheme                      ? 
_refine.ls_wR_factor_all                         ? 
_refine.ls_wR_factor_obs                         ? 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_wR_factor_R_work                      ? 
_refine.occupancy_max                            ? 
_refine.occupancy_min                            ? 
_refine.solvent_model_details                    'MASK BULK SOLVENT' 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_R_complete                          ? 
_refine.ls_R_factor_gt                           ? 
_refine.ls_goodness_of_fit_gt                    ? 
_refine.ls_goodness_of_fit_ref                   ? 
_refine.ls_shift_over_su_max                     ? 
_refine.ls_shift_over_su_max_lt                  ? 
_refine.ls_shift_over_su_mean                    ? 
_refine.ls_shift_over_su_mean_lt                 ? 
_refine.pdbx_ls_sigma_I                          ? 
_refine.pdbx_ls_sigma_F                          ? 
_refine.pdbx_ls_sigma_Fsqd                       ? 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.pdbx_ls_cross_valid_method               'FREE R-VALUE' 
_refine.pdbx_method_to_determine_struct          'MOLECULAR REPLACEMENT' 
_refine.pdbx_starting_model                      1DAT 
_refine.pdbx_stereochemistry_target_values       ? 
_refine.pdbx_R_Free_selection_details            ? 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_overall_ESU_R                       0.069 
_refine.pdbx_overall_ESU_R_Free                  0.070 
_refine.pdbx_solvent_vdw_probe_radii             1.200 
_refine.pdbx_solvent_ion_probe_radii             0.800 
_refine.pdbx_solvent_shrinkage_radii             0.800 
_refine.pdbx_real_space_R                        ? 
_refine.pdbx_density_correlation                 ? 
_refine.pdbx_pd_number_of_powder_patterns        ? 
_refine.pdbx_pd_number_of_points                 ? 
_refine.pdbx_pd_meas_number_of_points            ? 
_refine.pdbx_pd_proc_ls_prof_R_factor            ? 
_refine.pdbx_pd_proc_ls_prof_wR_factor           ? 
_refine.pdbx_pd_Marquardt_correlation_coeff      ? 
_refine.pdbx_pd_Fsqrd_R_factor                   ? 
_refine.pdbx_pd_ls_matrix_band_width             ? 
_refine.pdbx_overall_phase_error                 ? 
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI   ? 
_refine.pdbx_overall_SU_R_free_Blow_DPI          ? 
_refine.pdbx_overall_SU_R_Blow_DPI               ? 
_refine.pdbx_TLS_residual_ADP_flag               ? 
_refine.pdbx_diffrn_id                           1 
_refine.overall_SU_B                             1.223 
_refine.overall_SU_ML                            0.043 
_refine.overall_SU_R_Cruickshank_DPI             ? 
_refine.overall_SU_R_free                        ? 
_refine.overall_FOM_free_R_set                   ? 
_refine.overall_FOM_work_R_set                   ? 
_refine.pdbx_average_fsc_overall                 ? 
_refine.pdbx_average_fsc_work                    ? 
_refine.pdbx_average_fsc_free                    ? 
# 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.cycle_id                         LAST 
_refine_hist.details                          ? 
_refine_hist.d_res_high                       1.600 
_refine_hist.d_res_low                        17.799 
_refine_hist.number_atoms_solvent             186 
_refine_hist.number_atoms_total               1614 
_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        1380 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         48 
_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  1561 ? r_bond_refined_d               ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.016  1487 ? r_bond_other_d                 ? ? 
'X-RAY DIFFRACTION' ? 1.953  1.833  2121 ? r_angle_refined_deg            ? ? 
'X-RAY DIFFRACTION' ? 0.684  1.754  3404 ? r_angle_other_deg              ? ? 
'X-RAY DIFFRACTION' ? 4.810  5.000  197  ? r_dihedral_angle_1_deg         ? ? 
'X-RAY DIFFRACTION' ? 9.131  5.385  13   ? r_dihedral_angle_2_deg         ? ? 
'X-RAY DIFFRACTION' ? 12.919 10.000 265  ? r_dihedral_angle_3_deg         ? ? 
'X-RAY DIFFRACTION' ? 16.999 10.000 80   ? r_dihedral_angle_6_deg         ? ? 
'X-RAY DIFFRACTION' ? 0.095  0.200  225  ? r_chiral_restr                 ? ? 
'X-RAY DIFFRACTION' ? 0.010  0.020  1880 ? r_gen_planes_refined           ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.020  418  ? r_gen_planes_other             ? ? 
'X-RAY DIFFRACTION' ? 0.245  0.200  338  ? r_nbd_refined                  ? ? 
'X-RAY DIFFRACTION' ? 0.169  0.200  1183 ? r_symmetry_nbd_other           ? ? 
'X-RAY DIFFRACTION' ? 0.192  0.200  745  ? r_nbtor_refined                ? ? 
'X-RAY DIFFRACTION' ? 0.076  0.200  783  ? r_symmetry_nbtor_other         ? ? 
'X-RAY DIFFRACTION' ? 0.162  0.200  104  ? r_xyhbond_nbd_refined          ? ? 
'X-RAY DIFFRACTION' ? 0.367  0.200  3    ? r_metal_ion_refined            ? ? 
'X-RAY DIFFRACTION' ? 0.331  0.200  30   ? r_symmetry_nbd_refined         ? ? 
'X-RAY DIFFRACTION' ? 0.135  0.200  99   ? r_nbd_other                    ? ? 
'X-RAY DIFFRACTION' ? 0.115  0.200  40   ? r_symmetry_xyhbond_nbd_refined ? ? 
'X-RAY DIFFRACTION' ? 0.446  0.200  4    ? r_symmetry_metal_ion_refined   ? ? 
'X-RAY DIFFRACTION' ? 1.509  1.137  725  ? r_mcbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 1.487  1.136  725  ? r_mcbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 2.341  2.029  914  ? r_mcangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 2.340  2.033  915  ? r_mcangle_other                ? ? 
'X-RAY DIFFRACTION' ? 2.648  1.405  836  ? r_scbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 2.646  1.405  837  ? r_scbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 3.993  2.439  1195 ? r_scangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 3.991  2.439  1196 ? r_scangle_other                ? ? 
'X-RAY DIFFRACTION' ? 5.345  15.476 1997 ? r_lrange_it                    ? ? 
'X-RAY DIFFRACTION' ? 5.343  15.480 1998 ? r_lrange_other                 ? ? 
# 
loop_
_refine_ls_shell.pdbx_refine_id 
_refine_ls_shell.d_res_high 
_refine_ls_shell.d_res_low 
_refine_ls_shell.number_reflns_all 
_refine_ls_shell.number_reflns_obs 
_refine_ls_shell.number_reflns_R_free 
_refine_ls_shell.number_reflns_R_work 
_refine_ls_shell.percent_reflns_obs 
_refine_ls_shell.percent_reflns_R_free 
_refine_ls_shell.R_factor_all 
_refine_ls_shell.R_factor_obs 
_refine_ls_shell.R_factor_R_free_error 
_refine_ls_shell.R_factor_R_work 
_refine_ls_shell.redundancy_reflns_all 
_refine_ls_shell.redundancy_reflns_obs 
_refine_ls_shell.wR_factor_all 
_refine_ls_shell.wR_factor_obs 
_refine_ls_shell.wR_factor_R_free 
_refine_ls_shell.wR_factor_R_work 
_refine_ls_shell.pdbx_R_complete 
_refine_ls_shell.pdbx_total_number_of_bins_used 
_refine_ls_shell.pdbx_phase_error 
_refine_ls_shell.pdbx_fsc_work 
_refine_ls_shell.pdbx_fsc_free 
_refine_ls_shell.R_factor_R_free 
'X-RAY DIFFRACTION' 1.600 1.641  2453 . 102 2351 100.0000 . 0.217 . . 0.216 . . . . . 0.178 . 20 . 0.971 0.960 0.256 
'X-RAY DIFFRACTION' 1.641 1.686  2413 . 111 2302 100.0000 . 0.203 . . 0.202 . . . . . 0.165 . 20 . 0.974 0.971 0.221 
'X-RAY DIFFRACTION' 1.686 1.734  2344 . 110 2234 100.0000 . 0.192 . . 0.190 . . . . . 0.154 . 20 . 0.977 0.968 0.228 
'X-RAY DIFFRACTION' 1.734 1.787  2268 . 125 2143 100.0000 . 0.189 . . 0.186 . . . . . 0.149 . 20 . 0.978 0.963 0.243 
'X-RAY DIFFRACTION' 1.787 1.845  2190 . 112 2077 99.9543  . 0.178 . . 0.177 . . . . . 0.139 . 20 . 0.981 0.977 0.195 
'X-RAY DIFFRACTION' 1.845 1.909  2146 . 92  2054 100.0000 . 0.177 . . 0.175 . . . . . 0.137 . 20 . 0.982 0.968 0.222 
'X-RAY DIFFRACTION' 1.909 1.980  2080 . 114 1960 99.7115  . 0.179 . . 0.177 . . . . . 0.138 . 20 . 0.981 0.975 0.200 
'X-RAY DIFFRACTION' 1.980 2.060  2004 . 97  1903 99.8004  . 0.169 . . 0.169 . . . . . 0.136 . 20 . 0.983 0.983 0.168 
'X-RAY DIFFRACTION' 2.060 2.150  1908 . 95  1801 99.3711  . 0.158 . . 0.157 . . . . . 0.127 . 20 . 0.985 0.981 0.186 
'X-RAY DIFFRACTION' 2.150 2.254  1856 . 111 1731 99.2457  . 0.143 . . 0.142 . . . . . 0.115 . 20 . 0.988 0.983 0.172 
'X-RAY DIFFRACTION' 2.254 2.374  1765 . 86  1669 99.4334  . 0.141 . . 0.139 . . . . . 0.113 . 20 . 0.988 0.983 0.176 
'X-RAY DIFFRACTION' 2.374 2.515  1678 . 91  1580 99.5828  . 0.137 . . 0.136 . . . . . 0.114 . 20 . 0.989 0.984 0.157 
'X-RAY DIFFRACTION' 2.515 2.685  1565 . 81  1468 98.9776  . 0.139 . . 0.137 . . . . . 0.112 . 20 . 0.989 0.982 0.176 
'X-RAY DIFFRACTION' 2.685 2.894  1491 . 74  1403 99.0610  . 0.141 . . 0.140 . . . . . 0.117 . 20 . 0.988 0.985 0.165 
'X-RAY DIFFRACTION' 2.894 3.162  1380 . 83  1282 98.9130  . 0.147 . . 0.146 . . . . . 0.127 . 20 . 0.987 0.981 0.173 
'X-RAY DIFFRACTION' 3.162 3.521  1258 . 60  1189 99.2846  . 0.169 . . 0.168 . . . . . 0.154 . 20 . 0.983 0.982 0.169 
'X-RAY DIFFRACTION' 3.521 4.040  1143 . 55  1075 98.8626  . 0.161 . . 0.161 . . . . . 0.151 . 20 . 0.985 0.987 0.150 
'X-RAY DIFFRACTION' 4.040 4.885  969  . 42  915  98.7616  . 0.149 . . 0.147 . . . . . 0.141 . 20 . 0.987 0.983 0.191 
'X-RAY DIFFRACTION' 4.885 6.663  808  . 40  764  99.5049  . 0.215 . . 0.214 . . . . . 0.201 . 20 . 0.977 0.965 0.227 
'X-RAY DIFFRACTION' 6.663 17.799 547  . 27  512  98.5375  . 0.213 . . 0.212 . . . . . 0.206 . 20 . 0.970 0.978 0.225 
# 
_struct.entry_id                     9KKP 
_struct.title                        
'Crystal structure of Horse spleen L-ferritin mutant (E53F/E56F/E57F/R59F/E60F/E63F) with Nile Red' 
_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        9KKP 
_struct_keywords.text            '24mer cage, Phenyl Alanine mutant, Nile red, METAL BINDING PROTEIN' 
_struct_keywords.pdbx_keywords   'METAL 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 2 ? 
D N N 2 ? 
E N N 2 ? 
F N N 2 ? 
G N N 2 ? 
H N N 3 ? 
I N N 4 ? 
J N N 5 ? 
K N N 5 ? 
L N N 5 ? 
M N N 6 ? 
N N N 7 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    FRIL_HORSE 
_struct_ref.pdbx_db_accession          P02791 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;SSQIRQNYSTEVEAAVNRLVNLYLRASYTYLSLGFYFDRDDVALEGVCHFFRELAEEKREGAERLLKMQNQRGGRALFQD
LQKPSQDEWGTTLDAMKAAIVLEKSLNQALLDLHALGSAQADPHLCDFLESHFLDEEVKLIKKMGDHLTNIQRLVGSQAG
LGEYLFERLTLKHD
;
_struct_ref.pdbx_align_begin           2 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              9KKP 
_struct_ref_seq.pdbx_strand_id                A 
_struct_ref_seq.seq_align_beg                 1 
_struct_ref_seq.pdbx_seq_align_beg_ins_code   ? 
_struct_ref_seq.seq_align_end                 174 
_struct_ref_seq.pdbx_seq_align_end_ins_code   ? 
_struct_ref_seq.pdbx_db_accession             P02791 
_struct_ref_seq.db_align_beg                  2 
_struct_ref_seq.pdbx_db_align_beg_ins_code    ? 
_struct_ref_seq.db_align_end                  175 
_struct_ref_seq.pdbx_db_align_end_ins_code    ? 
_struct_ref_seq.pdbx_auth_seq_align_beg       1 
_struct_ref_seq.pdbx_auth_seq_align_end       174 
# 
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 9KKP PHE A 53 ? UNP P02791 GLU 54 'engineered mutation' 53 1 
1 9KKP PHE A 56 ? UNP P02791 GLU 57 'engineered mutation' 56 2 
1 9KKP PHE A 57 ? UNP P02791 GLU 58 'engineered mutation' 57 3 
1 9KKP PHE A 59 ? UNP P02791 ARG 60 'engineered mutation' 59 4 
1 9KKP PHE A 60 ? UNP P02791 GLU 61 'engineered mutation' 60 5 
1 9KKP PHE A 63 ? UNP P02791 GLU 64 'engineered mutation' 63 6 
# 
_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   24-meric 
_pdbx_struct_assembly.oligomeric_count     24 
# 
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)' 119240 ? 
1 MORE         -457   ? 
1 'SSA (A^2)'  130470 ? 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C,D,E,F,G,H,I,J,K,L,M,N 
# 
_pdbx_struct_assembly_auth_evidence.id                     1 
_pdbx_struct_assembly_auth_evidence.assembly_id            1 
_pdbx_struct_assembly_auth_evidence.experimental_support   'native gel electrophoresis' 
_pdbx_struct_assembly_auth_evidence.details                'Size exclusion chromatography' 
# 
loop_
_pdbx_struct_oper_list.id 
_pdbx_struct_oper_list.type 
_pdbx_struct_oper_list.name 
_pdbx_struct_oper_list.symmetry_operation 
_pdbx_struct_oper_list.matrix[1][1] 
_pdbx_struct_oper_list.matrix[1][2] 
_pdbx_struct_oper_list.matrix[1][3] 
_pdbx_struct_oper_list.vector[1] 
_pdbx_struct_oper_list.matrix[2][1] 
_pdbx_struct_oper_list.matrix[2][2] 
_pdbx_struct_oper_list.matrix[2][3] 
_pdbx_struct_oper_list.vector[2] 
_pdbx_struct_oper_list.matrix[3][1] 
_pdbx_struct_oper_list.matrix[3][2] 
_pdbx_struct_oper_list.matrix[3][3] 
_pdbx_struct_oper_list.vector[3] 
1  'identity operation'         1_555  x,y,z    1.0000000000  0.0000000000  0.0000000000  0.0000000000 0.0000000000  1.0000000000  
0.0000000000  0.0000000000 0.0000000000  0.0000000000  1.0000000000  0.0000000000 
2  'crystal symmetry operation' 2_555  -x,-y,z  -1.0000000000 0.0000000000  0.0000000000  0.0000000000 0.0000000000  -1.0000000000 
0.0000000000  0.0000000000 0.0000000000  0.0000000000  1.0000000000  0.0000000000 
3  'crystal symmetry operation' 3_555  -x,y,-z  -1.0000000000 0.0000000000  0.0000000000  0.0000000000 0.0000000000  1.0000000000  
0.0000000000  0.0000000000 0.0000000000  0.0000000000  -1.0000000000 0.0000000000 
4  'crystal symmetry operation' 4_555  x,-y,-z  1.0000000000  0.0000000000  0.0000000000  0.0000000000 0.0000000000  -1.0000000000 
0.0000000000  0.0000000000 0.0000000000  0.0000000000  -1.0000000000 0.0000000000 
5  'crystal symmetry operation' 5_555  z,x,y    0.0000000000  0.0000000000  1.0000000000  0.0000000000 1.0000000000  0.0000000000  
0.0000000000  0.0000000000 0.0000000000  1.0000000000  0.0000000000  0.0000000000 
6  'crystal symmetry operation' 6_555  z,-x,-y  0.0000000000  0.0000000000  1.0000000000  0.0000000000 -1.0000000000 0.0000000000  
0.0000000000  0.0000000000 0.0000000000  -1.0000000000 0.0000000000  0.0000000000 
7  'crystal symmetry operation' 7_555  -z,-x,y  0.0000000000  0.0000000000  -1.0000000000 0.0000000000 -1.0000000000 0.0000000000  
0.0000000000  0.0000000000 0.0000000000  1.0000000000  0.0000000000  0.0000000000 
8  'crystal symmetry operation' 8_555  -z,x,-y  0.0000000000  0.0000000000  -1.0000000000 0.0000000000 1.0000000000  0.0000000000  
0.0000000000  0.0000000000 0.0000000000  -1.0000000000 0.0000000000  0.0000000000 
9  'crystal symmetry operation' 9_555  y,z,x    0.0000000000  1.0000000000  0.0000000000  0.0000000000 0.0000000000  0.0000000000  
1.0000000000  0.0000000000 1.0000000000  0.0000000000  0.0000000000  0.0000000000 
10 'crystal symmetry operation' 10_555 -y,z,-x  0.0000000000  -1.0000000000 0.0000000000  0.0000000000 0.0000000000  0.0000000000  
1.0000000000  0.0000000000 -1.0000000000 0.0000000000  0.0000000000  0.0000000000 
11 'crystal symmetry operation' 11_555 y,-z,-x  0.0000000000  1.0000000000  0.0000000000  0.0000000000 0.0000000000  0.0000000000  
-1.0000000000 0.0000000000 -1.0000000000 0.0000000000  0.0000000000  0.0000000000 
12 'crystal symmetry operation' 12_555 -y,-z,x  0.0000000000  -1.0000000000 0.0000000000  0.0000000000 0.0000000000  0.0000000000  
-1.0000000000 0.0000000000 1.0000000000  0.0000000000  0.0000000000  0.0000000000 
13 'crystal symmetry operation' 13_555 y,x,-z   0.0000000000  1.0000000000  0.0000000000  0.0000000000 1.0000000000  0.0000000000  
0.0000000000  0.0000000000 0.0000000000  0.0000000000  -1.0000000000 0.0000000000 
14 'crystal symmetry operation' 14_555 -y,-x,-z 0.0000000000  -1.0000000000 0.0000000000  0.0000000000 -1.0000000000 0.0000000000  
0.0000000000  0.0000000000 0.0000000000  0.0000000000  -1.0000000000 0.0000000000 
15 'crystal symmetry operation' 15_555 y,-x,z   0.0000000000  1.0000000000  0.0000000000  0.0000000000 -1.0000000000 0.0000000000  
0.0000000000  0.0000000000 0.0000000000  0.0000000000  1.0000000000  0.0000000000 
16 'crystal symmetry operation' 16_555 -y,x,z   0.0000000000  -1.0000000000 0.0000000000  0.0000000000 1.0000000000  0.0000000000  
0.0000000000  0.0000000000 0.0000000000  0.0000000000  1.0000000000  0.0000000000 
17 'crystal symmetry operation' 17_555 x,z,-y   1.0000000000  0.0000000000  0.0000000000  0.0000000000 0.0000000000  0.0000000000  
1.0000000000  0.0000000000 0.0000000000  -1.0000000000 0.0000000000  0.0000000000 
18 'crystal symmetry operation' 18_555 -x,z,y   -1.0000000000 0.0000000000  0.0000000000  0.0000000000 0.0000000000  0.0000000000  
1.0000000000  0.0000000000 0.0000000000  1.0000000000  0.0000000000  0.0000000000 
19 'crystal symmetry operation' 19_555 -x,-z,-y -1.0000000000 0.0000000000  0.0000000000  0.0000000000 0.0000000000  0.0000000000  
-1.0000000000 0.0000000000 0.0000000000  -1.0000000000 0.0000000000  0.0000000000 
20 'crystal symmetry operation' 20_555 x,-z,y   1.0000000000  0.0000000000  0.0000000000  0.0000000000 0.0000000000  0.0000000000  
-1.0000000000 0.0000000000 0.0000000000  1.0000000000  0.0000000000  0.0000000000 
21 'crystal symmetry operation' 21_555 z,y,-x   0.0000000000  0.0000000000  1.0000000000  0.0000000000 0.0000000000  1.0000000000  
0.0000000000  0.0000000000 -1.0000000000 0.0000000000  0.0000000000  0.0000000000 
22 'crystal symmetry operation' 22_555 z,-y,x   0.0000000000  0.0000000000  1.0000000000  0.0000000000 0.0000000000  -1.0000000000 
0.0000000000  0.0000000000 1.0000000000  0.0000000000  0.0000000000  0.0000000000 
23 'crystal symmetry operation' 23_555 -z,y,x   0.0000000000  0.0000000000  -1.0000000000 0.0000000000 0.0000000000  1.0000000000  
0.0000000000  0.0000000000 1.0000000000  0.0000000000  0.0000000000  0.0000000000 
24 'crystal symmetry operation' 24_555 -z,-y,-x 0.0000000000  0.0000000000  -1.0000000000 0.0000000000 0.0000000000  -1.0000000000 
0.0000000000  0.0000000000 -1.0000000000 0.0000000000  0.0000000000  0.0000000000 
# 
loop_
_struct_conf.conf_type_id 
_struct_conf.id 
_struct_conf.pdbx_PDB_helix_id 
_struct_conf.beg_label_comp_id 
_struct_conf.beg_label_asym_id 
_struct_conf.beg_label_seq_id 
_struct_conf.pdbx_beg_PDB_ins_code 
_struct_conf.end_label_comp_id 
_struct_conf.end_label_asym_id 
_struct_conf.end_label_seq_id 
_struct_conf.pdbx_end_PDB_ins_code 
_struct_conf.beg_auth_comp_id 
_struct_conf.beg_auth_asym_id 
_struct_conf.beg_auth_seq_id 
_struct_conf.end_auth_comp_id 
_struct_conf.end_auth_asym_id 
_struct_conf.end_auth_seq_id 
_struct_conf.pdbx_PDB_helix_class 
_struct_conf.details 
_struct_conf.pdbx_PDB_helix_length 
HELX_P HELX_P1 AA1 SER A 9   ? ASP A 38  ? SER A 9   ASP A 38  1 ? 30 
HELX_P HELX_P2 AA2 LEU A 44  ? GLY A 73  ? LEU A 44  GLY A 73  1 ? 30 
HELX_P HELX_P3 AA3 THR A 91  ? GLN A 120 ? THR A 91  GLN A 120 1 ? 30 
HELX_P HELX_P4 AA4 ASP A 122 ? PHE A 133 ? ASP A 122 PHE A 133 1 ? 12 
HELX_P HELX_P5 AA5 PHE A 133 ? LEU A 154 ? PHE A 133 LEU A 154 1 ? 22 
HELX_P HELX_P6 AA6 GLN A 158 ? THR A 170 ? GLN A 158 THR A 170 1 ? 13 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
loop_
_struct_conn.id 
_struct_conn.conn_type_id 
_struct_conn.pdbx_leaving_atom_flag 
_struct_conn.pdbx_PDB_id 
_struct_conn.ptnr1_label_asym_id 
_struct_conn.ptnr1_label_comp_id 
_struct_conn.ptnr1_label_seq_id 
_struct_conn.ptnr1_label_atom_id 
_struct_conn.pdbx_ptnr1_label_alt_id 
_struct_conn.pdbx_ptnr1_PDB_ins_code 
_struct_conn.pdbx_ptnr1_standard_comp_id 
_struct_conn.ptnr1_symmetry 
_struct_conn.ptnr2_label_asym_id 
_struct_conn.ptnr2_label_comp_id 
_struct_conn.ptnr2_label_seq_id 
_struct_conn.ptnr2_label_atom_id 
_struct_conn.pdbx_ptnr2_label_alt_id 
_struct_conn.pdbx_ptnr2_PDB_ins_code 
_struct_conn.ptnr1_auth_asym_id 
_struct_conn.ptnr1_auth_comp_id 
_struct_conn.ptnr1_auth_seq_id 
_struct_conn.ptnr2_auth_asym_id 
_struct_conn.ptnr2_auth_comp_id 
_struct_conn.ptnr2_auth_seq_id 
_struct_conn.ptnr2_symmetry 
_struct_conn.pdbx_ptnr3_label_atom_id 
_struct_conn.pdbx_ptnr3_label_seq_id 
_struct_conn.pdbx_ptnr3_label_comp_id 
_struct_conn.pdbx_ptnr3_label_asym_id 
_struct_conn.pdbx_ptnr3_label_alt_id 
_struct_conn.pdbx_ptnr3_PDB_ins_code 
_struct_conn.details 
_struct_conn.pdbx_dist_value 
_struct_conn.pdbx_value_order 
_struct_conn.pdbx_role 
metalc1  metalc ? ? A ASP 38  OD1 ? ? ? 1_555 B CD . CD ? ? A ASP 38  A CD 201 1_555  ? ? ? ? ? ? ? 2.606 ? ? 
metalc2  metalc ? ? A CYS 48  SG  ? ? ? 1_555 B CD . CD ? ? A CYS 48  A CD 201 1_555  ? ? ? ? ? ? ? 2.677 ? ? 
metalc3  metalc ? ? A ASP 80  OD1 ? ? ? 1_555 E CD . CD ? ? A ASP 80  A CD 204 1_555  ? ? ? ? ? ? ? 2.386 ? ? 
metalc4  metalc ? ? A ASP 80  OD1 ? ? ? 1_555 E CD . CD ? ? A ASP 80  A CD 204 72_555 ? ? ? ? ? ? ? 2.387 ? ? 
metalc5  metalc ? ? A ASP 127 OD1 B ? ? 1_555 C CD . CD ? ? A ASP 127 A CD 202 1_555  ? ? ? ? ? ? ? 2.607 ? ? 
metalc6  metalc ? ? A ASP 127 OD1 B ? ? 1_555 C CD . CD ? ? A ASP 127 A CD 202 5_555  ? ? ? ? ? ? ? 2.607 ? ? 
metalc7  metalc ? ? A GLU 130 OE1 ? ? ? 1_555 D CD . CD ? ? A GLU 130 A CD 203 1_555  ? ? ? ? ? ? ? 2.529 ? ? 
metalc8  metalc ? ? A GLU 130 OE1 ? ? ? 1_555 D CD . CD ? ? A GLU 130 A CD 203 5_555  ? ? ? ? ? ? ? 2.527 ? ? 
metalc9  metalc ? ? A GLU 130 OE1 ? ? ? 1_555 F CD . CD ? ? A GLU 130 A CD 205 1_555  ? ? ? ? ? ? ? 2.306 ? ? 
metalc10 metalc ? ? A GLU 130 OE1 ? ? ? 1_555 F CD . CD ? ? A GLU 130 A CD 205 5_555  ? ? ? ? ? ? ? 2.306 ? ? 
# 
_struct_conn_type.id          metalc 
_struct_conn_type.criteria    ? 
_struct_conn_type.reference   ? 
# 
loop_
_pdbx_struct_conn_angle.id 
_pdbx_struct_conn_angle.ptnr1_label_atom_id 
_pdbx_struct_conn_angle.ptnr1_label_alt_id 
_pdbx_struct_conn_angle.ptnr1_label_asym_id 
_pdbx_struct_conn_angle.ptnr1_label_comp_id 
_pdbx_struct_conn_angle.ptnr1_label_seq_id 
_pdbx_struct_conn_angle.ptnr1_auth_atom_id 
_pdbx_struct_conn_angle.ptnr1_auth_asym_id 
_pdbx_struct_conn_angle.ptnr1_auth_comp_id 
_pdbx_struct_conn_angle.ptnr1_auth_seq_id 
_pdbx_struct_conn_angle.ptnr1_PDB_ins_code 
_pdbx_struct_conn_angle.ptnr1_symmetry 
_pdbx_struct_conn_angle.ptnr2_label_atom_id 
_pdbx_struct_conn_angle.ptnr2_label_alt_id 
_pdbx_struct_conn_angle.ptnr2_label_asym_id 
_pdbx_struct_conn_angle.ptnr2_label_comp_id 
_pdbx_struct_conn_angle.ptnr2_label_seq_id 
_pdbx_struct_conn_angle.ptnr2_auth_atom_id 
_pdbx_struct_conn_angle.ptnr2_auth_asym_id 
_pdbx_struct_conn_angle.ptnr2_auth_comp_id 
_pdbx_struct_conn_angle.ptnr2_auth_seq_id 
_pdbx_struct_conn_angle.ptnr2_PDB_ins_code 
_pdbx_struct_conn_angle.ptnr2_symmetry 
_pdbx_struct_conn_angle.ptnr3_label_atom_id 
_pdbx_struct_conn_angle.ptnr3_label_alt_id 
_pdbx_struct_conn_angle.ptnr3_label_asym_id 
_pdbx_struct_conn_angle.ptnr3_label_comp_id 
_pdbx_struct_conn_angle.ptnr3_label_seq_id 
_pdbx_struct_conn_angle.ptnr3_auth_atom_id 
_pdbx_struct_conn_angle.ptnr3_auth_asym_id 
_pdbx_struct_conn_angle.ptnr3_auth_comp_id 
_pdbx_struct_conn_angle.ptnr3_auth_seq_id 
_pdbx_struct_conn_angle.ptnr3_PDB_ins_code 
_pdbx_struct_conn_angle.ptnr3_symmetry 
_pdbx_struct_conn_angle.value 
_pdbx_struct_conn_angle.value_esd 
1 OD1 ? A ASP 38  ? A ASP 38  ? 1_555 CD ? B CD . ? A CD 201 ? 1_555 SG  ? A CYS 48  ? A CYS 48  ? 1_555 120.1 ? 
2 OD1 ? A ASP 80  ? A ASP 80  ? 1_555 CD ? E CD . ? A CD 204 ? 1_555 OD1 ? A ASP 80  ? A ASP 80  ? 1_555 0.0   ? 
3 OD1 B A ASP 127 ? A ASP 127 ? 1_555 CD ? C CD . ? A CD 202 ? 1_555 OD1 B A ASP 127 ? A ASP 127 ? 1_555 0.0   ? 
4 OE1 ? A GLU 130 ? A GLU 130 ? 1_555 CD ? D CD . ? A CD 203 ? 1_555 OE1 ? A GLU 130 ? A GLU 130 ? 1_555 0.0   ? 
5 OE1 ? A GLU 130 ? A GLU 130 ? 1_555 CD ? F CD . ? A CD 205 ? 1_555 OE1 ? A GLU 130 ? A GLU 130 ? 1_555 0.0   ? 
# 
_pdbx_entry_details.entry_id                   9KKP 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.has_ligand_of_interest     Y 
_pdbx_entry_details.has_protein_modification   N 
# 
_pdbx_validate_close_contact.id               1 
_pdbx_validate_close_contact.PDB_model_num    1 
_pdbx_validate_close_contact.auth_atom_id_1   OD2 
_pdbx_validate_close_contact.auth_asym_id_1   A 
_pdbx_validate_close_contact.auth_comp_id_1   ASP 
_pdbx_validate_close_contact.auth_seq_id_1    80 
_pdbx_validate_close_contact.PDB_ins_code_1   ? 
_pdbx_validate_close_contact.label_alt_id_1   ? 
_pdbx_validate_close_contact.auth_atom_id_2   CD 
_pdbx_validate_close_contact.auth_asym_id_2   A 
_pdbx_validate_close_contact.auth_comp_id_2   CD 
_pdbx_validate_close_contact.auth_seq_id_2    204 
_pdbx_validate_close_contact.PDB_ins_code_2   ? 
_pdbx_validate_close_contact.label_alt_id_2   ? 
_pdbx_validate_close_contact.dist             1.57 
# 
_pdbx_validate_symm_contact.id                1 
_pdbx_validate_symm_contact.PDB_model_num     1 
_pdbx_validate_symm_contact.auth_atom_id_1    OD2 
_pdbx_validate_symm_contact.auth_asym_id_1    A 
_pdbx_validate_symm_contact.auth_comp_id_1    ASP 
_pdbx_validate_symm_contact.auth_seq_id_1     80 
_pdbx_validate_symm_contact.PDB_ins_code_1    ? 
_pdbx_validate_symm_contact.label_alt_id_1    ? 
_pdbx_validate_symm_contact.site_symmetry_1   1_555 
_pdbx_validate_symm_contact.auth_atom_id_2    OD2 
_pdbx_validate_symm_contact.auth_asym_id_2    A 
_pdbx_validate_symm_contact.auth_comp_id_2    ASP 
_pdbx_validate_symm_contact.auth_seq_id_2     80 
_pdbx_validate_symm_contact.PDB_ins_code_2    ? 
_pdbx_validate_symm_contact.label_alt_id_2    ? 
_pdbx_validate_symm_contact.site_symmetry_2   72_555 
_pdbx_validate_symm_contact.dist              1.40 
# 
loop_
_pdbx_validate_rmsd_bond.id 
_pdbx_validate_rmsd_bond.PDB_model_num 
_pdbx_validate_rmsd_bond.auth_atom_id_1 
_pdbx_validate_rmsd_bond.auth_asym_id_1 
_pdbx_validate_rmsd_bond.auth_comp_id_1 
_pdbx_validate_rmsd_bond.auth_seq_id_1 
_pdbx_validate_rmsd_bond.PDB_ins_code_1 
_pdbx_validate_rmsd_bond.label_alt_id_1 
_pdbx_validate_rmsd_bond.auth_atom_id_2 
_pdbx_validate_rmsd_bond.auth_asym_id_2 
_pdbx_validate_rmsd_bond.auth_comp_id_2 
_pdbx_validate_rmsd_bond.auth_seq_id_2 
_pdbx_validate_rmsd_bond.PDB_ins_code_2 
_pdbx_validate_rmsd_bond.label_alt_id_2 
_pdbx_validate_rmsd_bond.bond_value 
_pdbx_validate_rmsd_bond.bond_target_value 
_pdbx_validate_rmsd_bond.bond_deviation 
_pdbx_validate_rmsd_bond.bond_standard_deviation 
_pdbx_validate_rmsd_bond.linker_flag 
1 1 CG A ASP 80  ? ? OD2 A ASP 80  ? ? 1.440 1.249 0.191 0.023 N 
2 1 CZ A ARG 153 ? ? NH2 A ARG 153 ? ? 1.404 1.326 0.078 0.013 N 
# 
loop_
_pdbx_validate_rmsd_angle.id 
_pdbx_validate_rmsd_angle.PDB_model_num 
_pdbx_validate_rmsd_angle.auth_atom_id_1 
_pdbx_validate_rmsd_angle.auth_asym_id_1 
_pdbx_validate_rmsd_angle.auth_comp_id_1 
_pdbx_validate_rmsd_angle.auth_seq_id_1 
_pdbx_validate_rmsd_angle.PDB_ins_code_1 
_pdbx_validate_rmsd_angle.label_alt_id_1 
_pdbx_validate_rmsd_angle.auth_atom_id_2 
_pdbx_validate_rmsd_angle.auth_asym_id_2 
_pdbx_validate_rmsd_angle.auth_comp_id_2 
_pdbx_validate_rmsd_angle.auth_seq_id_2 
_pdbx_validate_rmsd_angle.PDB_ins_code_2 
_pdbx_validate_rmsd_angle.label_alt_id_2 
_pdbx_validate_rmsd_angle.auth_atom_id_3 
_pdbx_validate_rmsd_angle.auth_asym_id_3 
_pdbx_validate_rmsd_angle.auth_comp_id_3 
_pdbx_validate_rmsd_angle.auth_seq_id_3 
_pdbx_validate_rmsd_angle.PDB_ins_code_3 
_pdbx_validate_rmsd_angle.label_alt_id_3 
_pdbx_validate_rmsd_angle.angle_value 
_pdbx_validate_rmsd_angle.angle_target_value 
_pdbx_validate_rmsd_angle.angle_deviation 
_pdbx_validate_rmsd_angle.angle_standard_deviation 
_pdbx_validate_rmsd_angle.linker_flag 
1 1 NE  A ARG 18  ? ? CZ A ARG 18  ? ? NH2 A ARG 18  ? ? 116.40 120.30 -3.90  0.50 N 
2 1 NE  A ARG 25  ? B CZ A ARG 25  ? B NH1 A ARG 25  ? B 117.11 120.30 -3.19  0.50 N 
3 1 NE  A ARG 39  ? ? CZ A ARG 39  ? ? NH1 A ARG 39  ? ? 124.45 120.30 4.15   0.50 N 
4 1 NE  A ARG 75  ? ? CZ A ARG 75  ? ? NH2 A ARG 75  ? ? 116.13 120.30 -4.17  0.50 N 
5 1 OD1 A ASP 80  ? ? CG A ASP 80  ? ? OD2 A ASP 80  ? ? 106.71 123.30 -16.59 1.90 N 
6 1 CB  A ASP 80  ? ? CG A ASP 80  ? ? OD2 A ASP 80  ? ? 136.54 118.30 18.24  0.90 N 
7 1 NE  A ARG 153 ? ? CZ A ARG 153 ? ? NH1 A ARG 153 ? ? 116.29 120.30 -4.01  0.50 N 
8 1 NE  A ARG 168 ? ? CZ A ARG 168 ? ? NH1 A ARG 168 ? ? 124.13 120.30 3.83   0.50 N 
# 
_pdbx_validate_torsion.id              1 
_pdbx_validate_torsion.PDB_model_num   1 
_pdbx_validate_torsion.auth_comp_id    VAL 
_pdbx_validate_torsion.auth_asym_id    A 
_pdbx_validate_torsion.auth_seq_id     42 
_pdbx_validate_torsion.PDB_ins_code    ? 
_pdbx_validate_torsion.label_alt_id    ? 
_pdbx_validate_torsion.phi             -127.70 
_pdbx_validate_torsion.psi             -65.13 
# 
loop_
_pdbx_validate_planes.id 
_pdbx_validate_planes.PDB_model_num 
_pdbx_validate_planes.auth_comp_id 
_pdbx_validate_planes.auth_asym_id 
_pdbx_validate_planes.auth_seq_id 
_pdbx_validate_planes.PDB_ins_code 
_pdbx_validate_planes.label_alt_id 
_pdbx_validate_planes.rmsd 
_pdbx_validate_planes.type 
1 1 ARG A 18  ? ? 0.070 'SIDE CHAIN' 
2 1 ARG A 153 ? ? 0.073 'SIDE CHAIN' 
# 
loop_
_pdbx_struct_special_symmetry.id 
_pdbx_struct_special_symmetry.PDB_model_num 
_pdbx_struct_special_symmetry.auth_asym_id 
_pdbx_struct_special_symmetry.auth_comp_id 
_pdbx_struct_special_symmetry.auth_seq_id 
_pdbx_struct_special_symmetry.PDB_ins_code 
_pdbx_struct_special_symmetry.label_asym_id 
_pdbx_struct_special_symmetry.label_comp_id 
_pdbx_struct_special_symmetry.label_seq_id 
1 1 A CD    202 ? C CD    . 
2 1 A CD    204 ? E CD    . 
3 1 A CD    205 ? F CD    . 
4 1 A A1L52 212 ? M A1L52 . 
5 1 A A1L52 212 ? M A1L52 . 
# 
_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                       486 
_pdbx_distant_solvent_atoms.PDB_ins_code                      ? 
_pdbx_distant_solvent_atoms.neighbor_macromolecule_distance   6.23 
_pdbx_distant_solvent_atoms.neighbor_ligand_distance          . 
# 
_pdbx_unobs_or_zero_occ_residues.id               1 
_pdbx_unobs_or_zero_occ_residues.PDB_model_num    1 
_pdbx_unobs_or_zero_occ_residues.polymer_flag     Y 
_pdbx_unobs_or_zero_occ_residues.occupancy_flag   1 
_pdbx_unobs_or_zero_occ_residues.auth_asym_id     A 
_pdbx_unobs_or_zero_occ_residues.auth_comp_id     ASP 
_pdbx_unobs_or_zero_occ_residues.auth_seq_id      174 
_pdbx_unobs_or_zero_occ_residues.PDB_ins_code     ? 
_pdbx_unobs_or_zero_occ_residues.label_asym_id    A 
_pdbx_unobs_or_zero_occ_residues.label_comp_id    ASP 
_pdbx_unobs_or_zero_occ_residues.label_seq_id     174 
# 
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 
A1L52 C1   C  N N 1   
A1L52 O2   O  N N 2   
A1L52 C3   C  N N 3   
A1L52 C4   C  N N 4   
A1L52 C5   C  Y N 5   
A1L52 C6   C  Y N 6   
A1L52 C7   C  Y N 7   
A1L52 C8   C  Y N 8   
A1L52 C9   C  N N 9   
A1L52 C12  C  Y N 10  
A1L52 C13  C  Y N 11  
A1L52 C14  C  Y N 12  
A1L52 C15  C  Y N 13  
A1L52 C16  C  N N 14  
A1L52 C17  C  N N 15  
A1L52 C18  C  N N 16  
A1L52 C20  C  Y N 17  
A1L52 C2   C  N N 18  
A1L52 N1   N  N N 19  
A1L52 N2   N  N N 20  
A1L52 C10  C  Y N 21  
A1L52 C11  C  Y N 22  
A1L52 O1   O  N N 23  
A1L52 C19  C  Y N 24  
A1L52 H2   H  N N 25  
A1L52 H3   H  N N 26  
A1L52 H1   H  N N 27  
A1L52 H6   H  N N 28  
A1L52 H7   H  N N 29  
A1L52 H8   H  N N 30  
A1L52 H10  H  N N 31  
A1L52 H9   H  N N 32  
A1L52 H11  H  N N 33  
A1L52 H12  H  N N 34  
A1L52 H14  H  N N 35  
A1L52 H15  H  N N 36  
A1L52 H16  H  N N 37  
A1L52 H17  H  N N 38  
A1L52 H18  H  N N 39  
A1L52 H5   H  N N 40  
A1L52 H4   H  N N 41  
A1L52 H13  H  N N 42  
ALA   N    N  N N 43  
ALA   CA   C  N S 44  
ALA   C    C  N N 45  
ALA   O    O  N N 46  
ALA   CB   C  N N 47  
ALA   OXT  O  N N 48  
ALA   H    H  N N 49  
ALA   H2   H  N N 50  
ALA   HA   H  N N 51  
ALA   HB1  H  N N 52  
ALA   HB2  H  N N 53  
ALA   HB3  H  N N 54  
ALA   HXT  H  N N 55  
ARG   N    N  N N 56  
ARG   CA   C  N S 57  
ARG   C    C  N N 58  
ARG   O    O  N N 59  
ARG   CB   C  N N 60  
ARG   CG   C  N N 61  
ARG   CD   C  N N 62  
ARG   NE   N  N N 63  
ARG   CZ   C  N N 64  
ARG   NH1  N  N N 65  
ARG   NH2  N  N N 66  
ARG   OXT  O  N N 67  
ARG   H    H  N N 68  
ARG   H2   H  N N 69  
ARG   HA   H  N N 70  
ARG   HB2  H  N N 71  
ARG   HB3  H  N N 72  
ARG   HG2  H  N N 73  
ARG   HG3  H  N N 74  
ARG   HD2  H  N N 75  
ARG   HD3  H  N N 76  
ARG   HE   H  N N 77  
ARG   HH11 H  N N 78  
ARG   HH12 H  N N 79  
ARG   HH21 H  N N 80  
ARG   HH22 H  N N 81  
ARG   HXT  H  N N 82  
ASN   N    N  N N 83  
ASN   CA   C  N S 84  
ASN   C    C  N N 85  
ASN   O    O  N N 86  
ASN   CB   C  N N 87  
ASN   CG   C  N N 88  
ASN   OD1  O  N N 89  
ASN   ND2  N  N N 90  
ASN   OXT  O  N N 91  
ASN   H    H  N N 92  
ASN   H2   H  N N 93  
ASN   HA   H  N N 94  
ASN   HB2  H  N N 95  
ASN   HB3  H  N N 96  
ASN   HD21 H  N N 97  
ASN   HD22 H  N N 98  
ASN   HXT  H  N N 99  
ASP   N    N  N N 100 
ASP   CA   C  N S 101 
ASP   C    C  N N 102 
ASP   O    O  N N 103 
ASP   CB   C  N N 104 
ASP   CG   C  N N 105 
ASP   OD1  O  N N 106 
ASP   OD2  O  N N 107 
ASP   OXT  O  N N 108 
ASP   H    H  N N 109 
ASP   H2   H  N N 110 
ASP   HA   H  N N 111 
ASP   HB2  H  N N 112 
ASP   HB3  H  N N 113 
ASP   HD2  H  N N 114 
ASP   HXT  H  N N 115 
CD    CD   CD N N 116 
CL    CL   CL N N 117 
CYS   N    N  N N 118 
CYS   CA   C  N R 119 
CYS   C    C  N N 120 
CYS   O    O  N N 121 
CYS   CB   C  N N 122 
CYS   SG   S  N N 123 
CYS   OXT  O  N N 124 
CYS   H    H  N N 125 
CYS   H2   H  N N 126 
CYS   HA   H  N N 127 
CYS   HB2  H  N N 128 
CYS   HB3  H  N N 129 
CYS   HG   H  N N 130 
CYS   HXT  H  N N 131 
EDO   C1   C  N N 132 
EDO   O1   O  N N 133 
EDO   C2   C  N N 134 
EDO   O2   O  N N 135 
EDO   H11  H  N N 136 
EDO   H12  H  N N 137 
EDO   HO1  H  N N 138 
EDO   H21  H  N N 139 
EDO   H22  H  N N 140 
EDO   HO2  H  N N 141 
GLN   N    N  N N 142 
GLN   CA   C  N S 143 
GLN   C    C  N N 144 
GLN   O    O  N N 145 
GLN   CB   C  N N 146 
GLN   CG   C  N N 147 
GLN   CD   C  N N 148 
GLN   OE1  O  N N 149 
GLN   NE2  N  N N 150 
GLN   OXT  O  N N 151 
GLN   H    H  N N 152 
GLN   H2   H  N N 153 
GLN   HA   H  N N 154 
GLN   HB2  H  N N 155 
GLN   HB3  H  N N 156 
GLN   HG2  H  N N 157 
GLN   HG3  H  N N 158 
GLN   HE21 H  N N 159 
GLN   HE22 H  N N 160 
GLN   HXT  H  N N 161 
GLU   N    N  N N 162 
GLU   CA   C  N S 163 
GLU   C    C  N N 164 
GLU   O    O  N N 165 
GLU   CB   C  N N 166 
GLU   CG   C  N N 167 
GLU   CD   C  N N 168 
GLU   OE1  O  N N 169 
GLU   OE2  O  N N 170 
GLU   OXT  O  N N 171 
GLU   H    H  N N 172 
GLU   H2   H  N N 173 
GLU   HA   H  N N 174 
GLU   HB2  H  N N 175 
GLU   HB3  H  N N 176 
GLU   HG2  H  N N 177 
GLU   HG3  H  N N 178 
GLU   HE2  H  N N 179 
GLU   HXT  H  N N 180 
GLY   N    N  N N 181 
GLY   CA   C  N N 182 
GLY   C    C  N N 183 
GLY   O    O  N N 184 
GLY   OXT  O  N N 185 
GLY   H    H  N N 186 
GLY   H2   H  N N 187 
GLY   HA2  H  N N 188 
GLY   HA3  H  N N 189 
GLY   HXT  H  N N 190 
HIS   N    N  N N 191 
HIS   CA   C  N S 192 
HIS   C    C  N N 193 
HIS   O    O  N N 194 
HIS   CB   C  N N 195 
HIS   CG   C  Y N 196 
HIS   ND1  N  Y N 197 
HIS   CD2  C  Y N 198 
HIS   CE1  C  Y N 199 
HIS   NE2  N  Y N 200 
HIS   OXT  O  N N 201 
HIS   H    H  N N 202 
HIS   H2   H  N N 203 
HIS   HA   H  N N 204 
HIS   HB2  H  N N 205 
HIS   HB3  H  N N 206 
HIS   HD1  H  N N 207 
HIS   HD2  H  N N 208 
HIS   HE1  H  N N 209 
HIS   HE2  H  N N 210 
HIS   HXT  H  N N 211 
HOH   O    O  N N 212 
HOH   H1   H  N N 213 
HOH   H2   H  N N 214 
ILE   N    N  N N 215 
ILE   CA   C  N S 216 
ILE   C    C  N N 217 
ILE   O    O  N N 218 
ILE   CB   C  N S 219 
ILE   CG1  C  N N 220 
ILE   CG2  C  N N 221 
ILE   CD1  C  N N 222 
ILE   OXT  O  N N 223 
ILE   H    H  N N 224 
ILE   H2   H  N N 225 
ILE   HA   H  N N 226 
ILE   HB   H  N N 227 
ILE   HG12 H  N N 228 
ILE   HG13 H  N N 229 
ILE   HG21 H  N N 230 
ILE   HG22 H  N N 231 
ILE   HG23 H  N N 232 
ILE   HD11 H  N N 233 
ILE   HD12 H  N N 234 
ILE   HD13 H  N N 235 
ILE   HXT  H  N N 236 
LEU   N    N  N N 237 
LEU   CA   C  N S 238 
LEU   C    C  N N 239 
LEU   O    O  N N 240 
LEU   CB   C  N N 241 
LEU   CG   C  N N 242 
LEU   CD1  C  N N 243 
LEU   CD2  C  N N 244 
LEU   OXT  O  N N 245 
LEU   H    H  N N 246 
LEU   H2   H  N N 247 
LEU   HA   H  N N 248 
LEU   HB2  H  N N 249 
LEU   HB3  H  N N 250 
LEU   HG   H  N N 251 
LEU   HD11 H  N N 252 
LEU   HD12 H  N N 253 
LEU   HD13 H  N N 254 
LEU   HD21 H  N N 255 
LEU   HD22 H  N N 256 
LEU   HD23 H  N N 257 
LEU   HXT  H  N N 258 
LYS   N    N  N N 259 
LYS   CA   C  N S 260 
LYS   C    C  N N 261 
LYS   O    O  N N 262 
LYS   CB   C  N N 263 
LYS   CG   C  N N 264 
LYS   CD   C  N N 265 
LYS   CE   C  N N 266 
LYS   NZ   N  N N 267 
LYS   OXT  O  N N 268 
LYS   H    H  N N 269 
LYS   H2   H  N N 270 
LYS   HA   H  N N 271 
LYS   HB2  H  N N 272 
LYS   HB3  H  N N 273 
LYS   HG2  H  N N 274 
LYS   HG3  H  N N 275 
LYS   HD2  H  N N 276 
LYS   HD3  H  N N 277 
LYS   HE2  H  N N 278 
LYS   HE3  H  N N 279 
LYS   HZ1  H  N N 280 
LYS   HZ2  H  N N 281 
LYS   HZ3  H  N N 282 
LYS   HXT  H  N N 283 
MET   N    N  N N 284 
MET   CA   C  N S 285 
MET   C    C  N N 286 
MET   O    O  N N 287 
MET   CB   C  N N 288 
MET   CG   C  N N 289 
MET   SD   S  N N 290 
MET   CE   C  N N 291 
MET   OXT  O  N N 292 
MET   H    H  N N 293 
MET   H2   H  N N 294 
MET   HA   H  N N 295 
MET   HB2  H  N N 296 
MET   HB3  H  N N 297 
MET   HG2  H  N N 298 
MET   HG3  H  N N 299 
MET   HE1  H  N N 300 
MET   HE2  H  N N 301 
MET   HE3  H  N N 302 
MET   HXT  H  N N 303 
PHE   N    N  N N 304 
PHE   CA   C  N S 305 
PHE   C    C  N N 306 
PHE   O    O  N N 307 
PHE   CB   C  N N 308 
PHE   CG   C  Y N 309 
PHE   CD1  C  Y N 310 
PHE   CD2  C  Y N 311 
PHE   CE1  C  Y N 312 
PHE   CE2  C  Y N 313 
PHE   CZ   C  Y N 314 
PHE   OXT  O  N N 315 
PHE   H    H  N N 316 
PHE   H2   H  N N 317 
PHE   HA   H  N N 318 
PHE   HB2  H  N N 319 
PHE   HB3  H  N N 320 
PHE   HD1  H  N N 321 
PHE   HD2  H  N N 322 
PHE   HE1  H  N N 323 
PHE   HE2  H  N N 324 
PHE   HZ   H  N N 325 
PHE   HXT  H  N N 326 
PRO   N    N  N N 327 
PRO   CA   C  N S 328 
PRO   C    C  N N 329 
PRO   O    O  N N 330 
PRO   CB   C  N N 331 
PRO   CG   C  N N 332 
PRO   CD   C  N N 333 
PRO   OXT  O  N N 334 
PRO   H    H  N N 335 
PRO   HA   H  N N 336 
PRO   HB2  H  N N 337 
PRO   HB3  H  N N 338 
PRO   HG2  H  N N 339 
PRO   HG3  H  N N 340 
PRO   HD2  H  N N 341 
PRO   HD3  H  N N 342 
PRO   HXT  H  N N 343 
SER   N    N  N N 344 
SER   CA   C  N S 345 
SER   C    C  N N 346 
SER   O    O  N N 347 
SER   CB   C  N N 348 
SER   OG   O  N N 349 
SER   OXT  O  N N 350 
SER   H    H  N N 351 
SER   H2   H  N N 352 
SER   HA   H  N N 353 
SER   HB2  H  N N 354 
SER   HB3  H  N N 355 
SER   HG   H  N N 356 
SER   HXT  H  N N 357 
SO4   S    S  N N 358 
SO4   O1   O  N N 359 
SO4   O2   O  N N 360 
SO4   O3   O  N N 361 
SO4   O4   O  N N 362 
THR   N    N  N N 363 
THR   CA   C  N S 364 
THR   C    C  N N 365 
THR   O    O  N N 366 
THR   CB   C  N R 367 
THR   OG1  O  N N 368 
THR   CG2  C  N N 369 
THR   OXT  O  N N 370 
THR   H    H  N N 371 
THR   H2   H  N N 372 
THR   HA   H  N N 373 
THR   HB   H  N N 374 
THR   HG1  H  N N 375 
THR   HG21 H  N N 376 
THR   HG22 H  N N 377 
THR   HG23 H  N N 378 
THR   HXT  H  N N 379 
TRP   N    N  N N 380 
TRP   CA   C  N S 381 
TRP   C    C  N N 382 
TRP   O    O  N N 383 
TRP   CB   C  N N 384 
TRP   CG   C  Y N 385 
TRP   CD1  C  Y N 386 
TRP   CD2  C  Y N 387 
TRP   NE1  N  Y N 388 
TRP   CE2  C  Y N 389 
TRP   CE3  C  Y N 390 
TRP   CZ2  C  Y N 391 
TRP   CZ3  C  Y N 392 
TRP   CH2  C  Y N 393 
TRP   OXT  O  N N 394 
TRP   H    H  N N 395 
TRP   H2   H  N N 396 
TRP   HA   H  N N 397 
TRP   HB2  H  N N 398 
TRP   HB3  H  N N 399 
TRP   HD1  H  N N 400 
TRP   HE1  H  N N 401 
TRP   HE3  H  N N 402 
TRP   HZ2  H  N N 403 
TRP   HZ3  H  N N 404 
TRP   HH2  H  N N 405 
TRP   HXT  H  N N 406 
TYR   N    N  N N 407 
TYR   CA   C  N S 408 
TYR   C    C  N N 409 
TYR   O    O  N N 410 
TYR   CB   C  N N 411 
TYR   CG   C  Y N 412 
TYR   CD1  C  Y N 413 
TYR   CD2  C  Y N 414 
TYR   CE1  C  Y N 415 
TYR   CE2  C  Y N 416 
TYR   CZ   C  Y N 417 
TYR   OH   O  N N 418 
TYR   OXT  O  N N 419 
TYR   H    H  N N 420 
TYR   H2   H  N N 421 
TYR   HA   H  N N 422 
TYR   HB2  H  N N 423 
TYR   HB3  H  N N 424 
TYR   HD1  H  N N 425 
TYR   HD2  H  N N 426 
TYR   HE1  H  N N 427 
TYR   HE2  H  N N 428 
TYR   HH   H  N N 429 
TYR   HXT  H  N N 430 
VAL   N    N  N N 431 
VAL   CA   C  N S 432 
VAL   C    C  N N 433 
VAL   O    O  N N 434 
VAL   CB   C  N N 435 
VAL   CG1  C  N N 436 
VAL   CG2  C  N N 437 
VAL   OXT  O  N N 438 
VAL   H    H  N N 439 
VAL   H2   H  N N 440 
VAL   HA   H  N N 441 
VAL   HB   H  N N 442 
VAL   HG11 H  N N 443 
VAL   HG12 H  N N 444 
VAL   HG13 H  N N 445 
VAL   HG21 H  N N 446 
VAL   HG22 H  N N 447 
VAL   HG23 H  N N 448 
VAL   HXT  H  N N 449 
# 
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 
A1L52 C1  C2   sing N N 1   
A1L52 C2  N1   sing N N 2   
A1L52 N1  C3   sing N N 3   
A1L52 C3  C4   sing N N 4   
A1L52 N1  C5   sing N N 5   
A1L52 C5  C6   doub Y N 6   
A1L52 C6  C7   sing Y N 7   
A1L52 C7  C8   doub Y N 8   
A1L52 C8  N2   sing N N 9   
A1L52 N2  C9   doub N N 10  
A1L52 C9  C10  sing N N 11  
A1L52 C10 C11  doub Y N 12  
A1L52 C11 C12  sing Y N 13  
A1L52 C12 C13  doub Y N 14  
A1L52 C13 C14  sing Y N 15  
A1L52 C14 C15  doub Y N 16  
A1L52 C15 C16  sing N N 17  
A1L52 C16 O1   doub N N 18  
A1L52 C16 C17  sing N N 19  
A1L52 C17 C18  doub N N 20  
A1L52 C18 O2   sing N N 21  
A1L52 O2  C19  sing N N 22  
A1L52 C19 C20  doub Y N 23  
A1L52 C5  C20  sing Y N 24  
A1L52 C8  C19  sing Y N 25  
A1L52 C9  C18  sing N N 26  
A1L52 C10 C15  sing Y N 27  
A1L52 C1  H2   sing N N 28  
A1L52 C1  H3   sing N N 29  
A1L52 C1  H1   sing N N 30  
A1L52 C3  H6   sing N N 31  
A1L52 C3  H7   sing N N 32  
A1L52 C4  H8   sing N N 33  
A1L52 C4  H10  sing N N 34  
A1L52 C4  H9   sing N N 35  
A1L52 C6  H11  sing N N 36  
A1L52 C7  H12  sing N N 37  
A1L52 C12 H14  sing N N 38  
A1L52 C13 H15  sing N N 39  
A1L52 C14 H16  sing N N 40  
A1L52 C17 H17  sing N N 41  
A1L52 C20 H18  sing N N 42  
A1L52 C2  H5   sing N N 43  
A1L52 C2  H4   sing N N 44  
A1L52 C11 H13  sing N N 45  
ALA   N   CA   sing N N 46  
ALA   N   H    sing N N 47  
ALA   N   H2   sing N N 48  
ALA   CA  C    sing N N 49  
ALA   CA  CB   sing N N 50  
ALA   CA  HA   sing N N 51  
ALA   C   O    doub N N 52  
ALA   C   OXT  sing N N 53  
ALA   CB  HB1  sing N N 54  
ALA   CB  HB2  sing N N 55  
ALA   CB  HB3  sing N N 56  
ALA   OXT HXT  sing N N 57  
ARG   N   CA   sing N N 58  
ARG   N   H    sing N N 59  
ARG   N   H2   sing N N 60  
ARG   CA  C    sing N N 61  
ARG   CA  CB   sing N N 62  
ARG   CA  HA   sing N N 63  
ARG   C   O    doub N N 64  
ARG   C   OXT  sing N N 65  
ARG   CB  CG   sing N N 66  
ARG   CB  HB2  sing N N 67  
ARG   CB  HB3  sing N N 68  
ARG   CG  CD   sing N N 69  
ARG   CG  HG2  sing N N 70  
ARG   CG  HG3  sing N N 71  
ARG   CD  NE   sing N N 72  
ARG   CD  HD2  sing N N 73  
ARG   CD  HD3  sing N N 74  
ARG   NE  CZ   sing N N 75  
ARG   NE  HE   sing N N 76  
ARG   CZ  NH1  sing N N 77  
ARG   CZ  NH2  doub N N 78  
ARG   NH1 HH11 sing N N 79  
ARG   NH1 HH12 sing N N 80  
ARG   NH2 HH21 sing N N 81  
ARG   NH2 HH22 sing N N 82  
ARG   OXT HXT  sing N N 83  
ASN   N   CA   sing N N 84  
ASN   N   H    sing N N 85  
ASN   N   H2   sing N N 86  
ASN   CA  C    sing N N 87  
ASN   CA  CB   sing N N 88  
ASN   CA  HA   sing N N 89  
ASN   C   O    doub N N 90  
ASN   C   OXT  sing N N 91  
ASN   CB  CG   sing N N 92  
ASN   CB  HB2  sing N N 93  
ASN   CB  HB3  sing N N 94  
ASN   CG  OD1  doub N N 95  
ASN   CG  ND2  sing N N 96  
ASN   ND2 HD21 sing N N 97  
ASN   ND2 HD22 sing N N 98  
ASN   OXT HXT  sing N N 99  
ASP   N   CA   sing N N 100 
ASP   N   H    sing N N 101 
ASP   N   H2   sing N N 102 
ASP   CA  C    sing N N 103 
ASP   CA  CB   sing N N 104 
ASP   CA  HA   sing N N 105 
ASP   C   O    doub N N 106 
ASP   C   OXT  sing N N 107 
ASP   CB  CG   sing N N 108 
ASP   CB  HB2  sing N N 109 
ASP   CB  HB3  sing N N 110 
ASP   CG  OD1  doub N N 111 
ASP   CG  OD2  sing N N 112 
ASP   OD2 HD2  sing N N 113 
ASP   OXT HXT  sing N N 114 
CYS   N   CA   sing N N 115 
CYS   N   H    sing N N 116 
CYS   N   H2   sing N N 117 
CYS   CA  C    sing N N 118 
CYS   CA  CB   sing N N 119 
CYS   CA  HA   sing N N 120 
CYS   C   O    doub N N 121 
CYS   C   OXT  sing N N 122 
CYS   CB  SG   sing N N 123 
CYS   CB  HB2  sing N N 124 
CYS   CB  HB3  sing N N 125 
CYS   SG  HG   sing N N 126 
CYS   OXT HXT  sing N N 127 
EDO   C1  O1   sing N N 128 
EDO   C1  C2   sing N N 129 
EDO   C1  H11  sing N N 130 
EDO   C1  H12  sing N N 131 
EDO   O1  HO1  sing N N 132 
EDO   C2  O2   sing N N 133 
EDO   C2  H21  sing N N 134 
EDO   C2  H22  sing N N 135 
EDO   O2  HO2  sing N N 136 
GLN   N   CA   sing N N 137 
GLN   N   H    sing N N 138 
GLN   N   H2   sing N N 139 
GLN   CA  C    sing N N 140 
GLN   CA  CB   sing N N 141 
GLN   CA  HA   sing N N 142 
GLN   C   O    doub N N 143 
GLN   C   OXT  sing N N 144 
GLN   CB  CG   sing N N 145 
GLN   CB  HB2  sing N N 146 
GLN   CB  HB3  sing N N 147 
GLN   CG  CD   sing N N 148 
GLN   CG  HG2  sing N N 149 
GLN   CG  HG3  sing N N 150 
GLN   CD  OE1  doub N N 151 
GLN   CD  NE2  sing N N 152 
GLN   NE2 HE21 sing N N 153 
GLN   NE2 HE22 sing N N 154 
GLN   OXT HXT  sing N N 155 
GLU   N   CA   sing N N 156 
GLU   N   H    sing N N 157 
GLU   N   H2   sing N N 158 
GLU   CA  C    sing N N 159 
GLU   CA  CB   sing N N 160 
GLU   CA  HA   sing N N 161 
GLU   C   O    doub N N 162 
GLU   C   OXT  sing N N 163 
GLU   CB  CG   sing N N 164 
GLU   CB  HB2  sing N N 165 
GLU   CB  HB3  sing N N 166 
GLU   CG  CD   sing N N 167 
GLU   CG  HG2  sing N N 168 
GLU   CG  HG3  sing N N 169 
GLU   CD  OE1  doub N N 170 
GLU   CD  OE2  sing N N 171 
GLU   OE2 HE2  sing N N 172 
GLU   OXT HXT  sing N N 173 
GLY   N   CA   sing N N 174 
GLY   N   H    sing N N 175 
GLY   N   H2   sing N N 176 
GLY   CA  C    sing N N 177 
GLY   CA  HA2  sing N N 178 
GLY   CA  HA3  sing N N 179 
GLY   C   O    doub N N 180 
GLY   C   OXT  sing N N 181 
GLY   OXT HXT  sing N N 182 
HIS   N   CA   sing N N 183 
HIS   N   H    sing N N 184 
HIS   N   H2   sing N N 185 
HIS   CA  C    sing N N 186 
HIS   CA  CB   sing N N 187 
HIS   CA  HA   sing N N 188 
HIS   C   O    doub N N 189 
HIS   C   OXT  sing N N 190 
HIS   CB  CG   sing N N 191 
HIS   CB  HB2  sing N N 192 
HIS   CB  HB3  sing N N 193 
HIS   CG  ND1  sing Y N 194 
HIS   CG  CD2  doub Y N 195 
HIS   ND1 CE1  doub Y N 196 
HIS   ND1 HD1  sing N N 197 
HIS   CD2 NE2  sing Y N 198 
HIS   CD2 HD2  sing N N 199 
HIS   CE1 NE2  sing Y N 200 
HIS   CE1 HE1  sing N N 201 
HIS   NE2 HE2  sing N N 202 
HIS   OXT HXT  sing N N 203 
HOH   O   H1   sing N N 204 
HOH   O   H2   sing N N 205 
ILE   N   CA   sing N N 206 
ILE   N   H    sing N N 207 
ILE   N   H2   sing N N 208 
ILE   CA  C    sing N N 209 
ILE   CA  CB   sing N N 210 
ILE   CA  HA   sing N N 211 
ILE   C   O    doub N N 212 
ILE   C   OXT  sing N N 213 
ILE   CB  CG1  sing N N 214 
ILE   CB  CG2  sing N N 215 
ILE   CB  HB   sing N N 216 
ILE   CG1 CD1  sing N N 217 
ILE   CG1 HG12 sing N N 218 
ILE   CG1 HG13 sing N N 219 
ILE   CG2 HG21 sing N N 220 
ILE   CG2 HG22 sing N N 221 
ILE   CG2 HG23 sing N N 222 
ILE   CD1 HD11 sing N N 223 
ILE   CD1 HD12 sing N N 224 
ILE   CD1 HD13 sing N N 225 
ILE   OXT HXT  sing N N 226 
LEU   N   CA   sing N N 227 
LEU   N   H    sing N N 228 
LEU   N   H2   sing N N 229 
LEU   CA  C    sing N N 230 
LEU   CA  CB   sing N N 231 
LEU   CA  HA   sing N N 232 
LEU   C   O    doub N N 233 
LEU   C   OXT  sing N N 234 
LEU   CB  CG   sing N N 235 
LEU   CB  HB2  sing N N 236 
LEU   CB  HB3  sing N N 237 
LEU   CG  CD1  sing N N 238 
LEU   CG  CD2  sing N N 239 
LEU   CG  HG   sing N N 240 
LEU   CD1 HD11 sing N N 241 
LEU   CD1 HD12 sing N N 242 
LEU   CD1 HD13 sing N N 243 
LEU   CD2 HD21 sing N N 244 
LEU   CD2 HD22 sing N N 245 
LEU   CD2 HD23 sing N N 246 
LEU   OXT HXT  sing N N 247 
LYS   N   CA   sing N N 248 
LYS   N   H    sing N N 249 
LYS   N   H2   sing N N 250 
LYS   CA  C    sing N N 251 
LYS   CA  CB   sing N N 252 
LYS   CA  HA   sing N N 253 
LYS   C   O    doub N N 254 
LYS   C   OXT  sing N N 255 
LYS   CB  CG   sing N N 256 
LYS   CB  HB2  sing N N 257 
LYS   CB  HB3  sing N N 258 
LYS   CG  CD   sing N N 259 
LYS   CG  HG2  sing N N 260 
LYS   CG  HG3  sing N N 261 
LYS   CD  CE   sing N N 262 
LYS   CD  HD2  sing N N 263 
LYS   CD  HD3  sing N N 264 
LYS   CE  NZ   sing N N 265 
LYS   CE  HE2  sing N N 266 
LYS   CE  HE3  sing N N 267 
LYS   NZ  HZ1  sing N N 268 
LYS   NZ  HZ2  sing N N 269 
LYS   NZ  HZ3  sing N N 270 
LYS   OXT HXT  sing N N 271 
MET   N   CA   sing N N 272 
MET   N   H    sing N N 273 
MET   N   H2   sing N N 274 
MET   CA  C    sing N N 275 
MET   CA  CB   sing N N 276 
MET   CA  HA   sing N N 277 
MET   C   O    doub N N 278 
MET   C   OXT  sing N N 279 
MET   CB  CG   sing N N 280 
MET   CB  HB2  sing N N 281 
MET   CB  HB3  sing N N 282 
MET   CG  SD   sing N N 283 
MET   CG  HG2  sing N N 284 
MET   CG  HG3  sing N N 285 
MET   SD  CE   sing N N 286 
MET   CE  HE1  sing N N 287 
MET   CE  HE2  sing N N 288 
MET   CE  HE3  sing N N 289 
MET   OXT HXT  sing N N 290 
PHE   N   CA   sing N N 291 
PHE   N   H    sing N N 292 
PHE   N   H2   sing N N 293 
PHE   CA  C    sing N N 294 
PHE   CA  CB   sing N N 295 
PHE   CA  HA   sing N N 296 
PHE   C   O    doub N N 297 
PHE   C   OXT  sing N N 298 
PHE   CB  CG   sing N N 299 
PHE   CB  HB2  sing N N 300 
PHE   CB  HB3  sing N N 301 
PHE   CG  CD1  doub Y N 302 
PHE   CG  CD2  sing Y N 303 
PHE   CD1 CE1  sing Y N 304 
PHE   CD1 HD1  sing N N 305 
PHE   CD2 CE2  doub Y N 306 
PHE   CD2 HD2  sing N N 307 
PHE   CE1 CZ   doub Y N 308 
PHE   CE1 HE1  sing N N 309 
PHE   CE2 CZ   sing Y N 310 
PHE   CE2 HE2  sing N N 311 
PHE   CZ  HZ   sing N N 312 
PHE   OXT HXT  sing N N 313 
PRO   N   CA   sing N N 314 
PRO   N   CD   sing N N 315 
PRO   N   H    sing N N 316 
PRO   CA  C    sing N N 317 
PRO   CA  CB   sing N N 318 
PRO   CA  HA   sing N N 319 
PRO   C   O    doub N N 320 
PRO   C   OXT  sing N N 321 
PRO   CB  CG   sing N N 322 
PRO   CB  HB2  sing N N 323 
PRO   CB  HB3  sing N N 324 
PRO   CG  CD   sing N N 325 
PRO   CG  HG2  sing N N 326 
PRO   CG  HG3  sing N N 327 
PRO   CD  HD2  sing N N 328 
PRO   CD  HD3  sing N N 329 
PRO   OXT HXT  sing N N 330 
SER   N   CA   sing N N 331 
SER   N   H    sing N N 332 
SER   N   H2   sing N N 333 
SER   CA  C    sing N N 334 
SER   CA  CB   sing N N 335 
SER   CA  HA   sing N N 336 
SER   C   O    doub N N 337 
SER   C   OXT  sing N N 338 
SER   CB  OG   sing N N 339 
SER   CB  HB2  sing N N 340 
SER   CB  HB3  sing N N 341 
SER   OG  HG   sing N N 342 
SER   OXT HXT  sing N N 343 
SO4   S   O1   doub N N 344 
SO4   S   O2   doub N N 345 
SO4   S   O3   sing N N 346 
SO4   S   O4   sing N N 347 
THR   N   CA   sing N N 348 
THR   N   H    sing N N 349 
THR   N   H2   sing N N 350 
THR   CA  C    sing N N 351 
THR   CA  CB   sing N N 352 
THR   CA  HA   sing N N 353 
THR   C   O    doub N N 354 
THR   C   OXT  sing N N 355 
THR   CB  OG1  sing N N 356 
THR   CB  CG2  sing N N 357 
THR   CB  HB   sing N N 358 
THR   OG1 HG1  sing N N 359 
THR   CG2 HG21 sing N N 360 
THR   CG2 HG22 sing N N 361 
THR   CG2 HG23 sing N N 362 
THR   OXT HXT  sing N N 363 
TRP   N   CA   sing N N 364 
TRP   N   H    sing N N 365 
TRP   N   H2   sing N N 366 
TRP   CA  C    sing N N 367 
TRP   CA  CB   sing N N 368 
TRP   CA  HA   sing N N 369 
TRP   C   O    doub N N 370 
TRP   C   OXT  sing N N 371 
TRP   CB  CG   sing N N 372 
TRP   CB  HB2  sing N N 373 
TRP   CB  HB3  sing N N 374 
TRP   CG  CD1  doub Y N 375 
TRP   CG  CD2  sing Y N 376 
TRP   CD1 NE1  sing Y N 377 
TRP   CD1 HD1  sing N N 378 
TRP   CD2 CE2  doub Y N 379 
TRP   CD2 CE3  sing Y N 380 
TRP   NE1 CE2  sing Y N 381 
TRP   NE1 HE1  sing N N 382 
TRP   CE2 CZ2  sing Y N 383 
TRP   CE3 CZ3  doub Y N 384 
TRP   CE3 HE3  sing N N 385 
TRP   CZ2 CH2  doub Y N 386 
TRP   CZ2 HZ2  sing N N 387 
TRP   CZ3 CH2  sing Y N 388 
TRP   CZ3 HZ3  sing N N 389 
TRP   CH2 HH2  sing N N 390 
TRP   OXT HXT  sing N N 391 
TYR   N   CA   sing N N 392 
TYR   N   H    sing N N 393 
TYR   N   H2   sing N N 394 
TYR   CA  C    sing N N 395 
TYR   CA  CB   sing N N 396 
TYR   CA  HA   sing N N 397 
TYR   C   O    doub N N 398 
TYR   C   OXT  sing N N 399 
TYR   CB  CG   sing N N 400 
TYR   CB  HB2  sing N N 401 
TYR   CB  HB3  sing N N 402 
TYR   CG  CD1  doub Y N 403 
TYR   CG  CD2  sing Y N 404 
TYR   CD1 CE1  sing Y N 405 
TYR   CD1 HD1  sing N N 406 
TYR   CD2 CE2  doub Y N 407 
TYR   CD2 HD2  sing N N 408 
TYR   CE1 CZ   doub Y N 409 
TYR   CE1 HE1  sing N N 410 
TYR   CE2 CZ   sing Y N 411 
TYR   CE2 HE2  sing N N 412 
TYR   CZ  OH   sing N N 413 
TYR   OH  HH   sing N N 414 
TYR   OXT HXT  sing N N 415 
VAL   N   CA   sing N N 416 
VAL   N   H    sing N N 417 
VAL   N   H2   sing N N 418 
VAL   CA  C    sing N N 419 
VAL   CA  CB   sing N N 420 
VAL   CA  HA   sing N N 421 
VAL   C   O    doub N N 422 
VAL   C   OXT  sing N N 423 
VAL   CB  CG1  sing N N 424 
VAL   CB  CG2  sing N N 425 
VAL   CB  HB   sing N N 426 
VAL   CG1 HG11 sing N N 427 
VAL   CG1 HG12 sing N N 428 
VAL   CG1 HG13 sing N N 429 
VAL   CG2 HG21 sing N N 430 
VAL   CG2 HG22 sing N N 431 
VAL   CG2 HG23 sing N N 432 
VAL   OXT HXT  sing N N 433 
# 
_pdbx_audit_support.funding_organization   'Japan Society for the Promotion of Science (JSPS)' 
_pdbx_audit_support.country                Japan 
_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   1DAT 
_pdbx_initial_refinement_model.details          ? 
# 
_atom_sites.entry_id                    9KKP 
_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]   0.005509 
_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]   0.005509 
_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]   0.005509 
_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 
C  
CD 
CL 
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   . SER   A 1 1   ? 56.653 19.074  22.380 1.000 53.258 0 1   SER   A N   1 
ATOM   2    C  CA  . SER   A 1 1   ? 55.654 18.468  23.301 1.000 53.159 0 1   SER   A CA  1 
ATOM   3    C  C   . SER   A 1 1   ? 54.477 17.905  22.503 1.000 45.857 0 1   SER   A C   1 
ATOM   4    O  O   . SER   A 1 1   ? 54.509 16.721  22.166 1.000 56.488 0 1   SER   A O   1 
ATOM   5    N  N   . SER   A 1 2   ? 53.461 18.758  22.242 1.000 37.198 0 2   SER   A N   1 
ATOM   6    C  CA  . SER   A 1 2   ? 52.276 18.401  21.448 1.000 32.527 0 2   SER   A CA  1 
ATOM   7    C  C   . SER   A 1 2   ? 52.028 19.417  20.331 1.000 31.745 0 2   SER   A C   1 
ATOM   8    O  O   . SER   A 1 2   ? 52.092 20.667  20.449 1.000 28.849 0 2   SER   A O   1 
ATOM   9    C  CB  . SER   A 1 2   ? 50.989 18.156  22.287 1.000 31.820 0 2   SER   A CB  1 
ATOM   10   O  OG  . SER   A 1 2   ? 49.728 18.173  21.595 1.000 22.005 0 2   SER   A OG  1 
ATOM   11   N  N   . GLN   A 1 3   ? 51.591 18.824  19.239 1.000 23.016 0 3   GLN   A N   1 
ATOM   12   C  CA  . GLN   A 1 3   ? 51.357 19.564  18.018 1.000 20.094 0 3   GLN   A CA  1 
ATOM   13   C  C   . GLN   A 1 3   ? 49.975 20.201  18.017 1.000 18.131 0 3   GLN   A C   1 
ATOM   14   O  O   . GLN   A 1 3   ? 49.767 21.093  17.212 1.000 18.365 0 3   GLN   A O   1 
ATOM   15   C  CB  . GLN   A 1 3   ? 51.532 18.643  16.804 1.000 22.904 0 3   GLN   A CB  1 
ATOM   16   C  CG  . GLN   A 1 3   ? 50.326 17.789  16.473 1.000 30.043 0 3   GLN   A CG  1 
ATOM   17   C  CD  . GLN   A 1 3   ? 50.612 16.594  15.581 1.000 29.429 0 3   GLN   A CD  1 
ATOM   18   O  OE1 . GLN   A 1 3   ? 51.567 16.595  14.777 1.000 40.102 0 3   GLN   A OE1 1 
ATOM   19   N  NE2 . GLN   A 1 3   ? 49.756 15.573  15.714 1.000 14.889 0 3   GLN   A NE2 1 
ATOM   20   N  N   . ILE   A 1 4   ? 49.044 19.773  18.894 1.000 12.673 0 4   ILE   A N   1 
ATOM   21   C  CA  . ILE   A 1 4   ? 47.725 20.403  18.914 1.000 11.088 0 4   ILE   A CA  1 
ATOM   22   C  C   . ILE   A 1 4   ? 47.489 21.250  20.167 1.000 10.153 0 4   ILE   A C   1 
ATOM   23   O  O   . ILE   A 1 4   ? 46.590 22.111  20.158 1.000 10.038 0 4   ILE   A O   1 
ATOM   24   C  CB  . ILE   A 1 4   ? 46.571 19.375  18.766 1.000 11.303 0 4   ILE   A CB  1 
ATOM   25   C  CG1 . ILE   A 1 4   ? 46.435 18.429  19.965 1.000 11.778 0 4   ILE   A CG1 1 
ATOM   26   C  CG2 . ILE   A 1 4   ? 46.711 18.599  17.463 1.000 12.189 0 4   ILE   A CG2 1 
ATOM   27   C  CD1 . ILE   A 1 4   ? 45.218 17.531  19.841 1.000 12.594 0 4   ILE   A CD1 1 
ATOM   28   N  N   . ARG   A 1 5   ? 48.204 20.954  21.256 1.000 9.600  0 5   ARG   A N   1 
ATOM   29   C  CA  . ARG   A 1 5   ? 47.859 21.509  22.550 1.000 9.672  0 5   ARG   A CA  1 
ATOM   30   C  C   . ARG   A 1 5   ? 47.961 23.027  22.512 1.000 9.296  0 5   ARG   A C   1 
ATOM   31   O  O   . ARG   A 1 5   ? 48.969 23.590  22.095 1.000 10.855 0 5   ARG   A O   1 
ATOM   32   C  CB  . ARG   A 1 5   ? 48.822 20.966  23.585 1.000 10.903 0 5   ARG   A CB  1 
ATOM   33   C  CG  . ARG   A 1 5   ? 48.411 21.216  25.020 1.000 11.440 0 5   ARG   A CG  1 
ATOM   34   C  CD  . ARG   A 1 5   ? 49.366 20.514  25.961 1.000 13.715 0 5   ARG   A CD  1 
ATOM   35   N  NE  . ARG   A 1 5   ? 48.984 20.777  27.356 1.000 12.478 0 5   ARG   A NE  1 
ATOM   36   C  CZ  . ARG   A 1 5   ? 49.146 19.877  28.309 1.000 11.910 0 5   ARG   A CZ  1 
ATOM   37   N  NH1 . ARG   A 1 5   ? 49.804 18.744  28.061 1.000 11.283 0 5   ARG   A NH1 1 
ATOM   38   N  NH2 . ARG   A 1 5   ? 48.720 20.152  29.534 1.000 11.806 0 5   ARG   A NH2 1 
ATOM   39   N  N   . GLN   A 1 6   ? 46.938 23.691  23.053 1.000 7.701  0 6   GLN   A N   1 
ATOM   40   C  CA  . GLN   A 1 6   ? 46.910 25.151  23.031 1.000 8.170  0 6   GLN   A CA  1 
ATOM   41   C  C   . GLN   A 1 6   ? 45.987 25.626  24.145 1.000 8.325  0 6   GLN   A C   1 
ATOM   42   O  O   . GLN   A 1 6   ? 44.828 25.208  24.224 1.000 8.442  0 6   GLN   A O   1 
ATOM   43   C  CB  . GLN   A 1 6   ? 46.389 25.647  21.673 1.000 8.018  0 6   GLN   A CB  1 
ATOM   44   C  CG  . GLN   A 1 6   ? 46.382 27.164  21.495 1.000 8.976  0 6   GLN   A CG  1 
ATOM   45   C  CD  . GLN   A 1 6   ? 46.018 27.570  20.082 1.000 9.044  0 6   GLN   A CD  1 
ATOM   46   O  OE1 . GLN   A 1 6   ? 45.238 26.924  19.349 1.000 11.436 0 6   GLN   A OE1 1 
ATOM   47   N  NE2 . GLN   A 1 6   ? 46.591 28.701  19.709 1.000 11.348 0 6   GLN   A NE2 1 
ATOM   48   N  N   . ASN   A 1 7   ? 46.517 26.443  25.040 1.000 8.836  0 7   ASN   A N   1 
ATOM   49   C  CA  . ASN   A 1 7   ? 45.765 26.998  26.155 1.000 8.797  0 7   ASN   A CA  1 
ATOM   50   C  C   . ASN   A 1 7   ? 45.286 25.929  27.128 1.000 9.046  0 7   ASN   A C   1 
ATOM   51   O  O   . ASN   A 1 7   ? 44.240 26.106  27.778 1.000 9.207  0 7   ASN   A O   1 
ATOM   52   C  CB  . ASN   A 1 7   ? 44.551 27.815  25.706 1.000 9.397  0 7   ASN   A CB  1 
ATOM   53   C  CG  . ASN   A 1 7   ? 44.061 28.730  26.819 1.000 9.687  0 7   ASN   A CG  1 
ATOM   54   O  OD1 . ASN   A 1 7   ? 44.858 29.265  27.610 1.000 10.453 0 7   ASN   A OD1 1 
ATOM   55   N  ND2 . ASN   A 1 7   ? 42.761 28.888  26.931 1.000 10.265 0 7   ASN   A ND2 1 
ATOM   56   N  N   . TYR   A 1 8   ? 46.038 24.828  27.249 1.000 8.802  0 8   TYR   A N   1 
ATOM   57   C  CA  . TYR   A 1 8   ? 45.610 23.712  28.079 1.000 9.643  0 8   TYR   A CA  1 
ATOM   58   C  C   . TYR   A 1 8   ? 46.671 23.446  29.139 1.000 10.337 0 8   TYR   A C   1 
ATOM   59   O  O   . TYR   A 1 8   ? 47.737 22.891  28.851 1.000 10.768 0 8   TYR   A O   1 
ATOM   60   C  CB  . TYR   A 1 8   ? 45.355 22.472  27.222 1.000 9.460  0 8   TYR   A CB  1 
ATOM   61   C  CG  . TYR   A 1 8   ? 44.639 21.346  27.961 1.000 9.157  0 8   TYR   A CG  1 
ATOM   62   C  CD1 . TYR   A 1 8   ? 43.357 21.538  28.466 1.000 9.175  0 8   TYR   A CD1 1 
ATOM   63   C  CD2 . TYR   A 1 8   ? 45.201 20.103  28.097 1.000 8.564  0 8   TYR   A CD2 1 
ATOM   64   C  CE1 . TYR   A 1 8   ? 42.651 20.510  29.043 1.000 9.093  0 8   TYR   A CE1 1 
ATOM   65   C  CE2 . TYR   A 1 8   ? 44.525 19.086  28.767 1.000 8.524  0 8   TYR   A CE2 1 
ATOM   66   C  CZ  . TYR   A 1 8   ? 43.245 19.273  29.203 1.000 8.935  0 8   TYR   A CZ  1 
ATOM   67   O  OH  . TYR   A 1 8   ? 42.567 18.248  29.824 1.000 9.539  0 8   TYR   A OH  1 
ATOM   68   N  N   . SER   A 1 9   ? 46.418 23.930  30.360 1.000 9.804  0 9   SER   A N   1 
ATOM   69   C  CA  . SER   A 1 9   ? 47.447 23.946  31.402 1.000 11.154 0 9   SER   A CA  1 
ATOM   70   C  C   . SER   A 1 9   ? 47.759 22.531  31.899 1.000 11.198 0 9   SER   A C   1 
ATOM   71   O  O   . SER   A 1 9   ? 46.921 21.640  31.857 1.000 9.992  0 9   SER   A O   1 
ATOM   72   C  CB  . SER   A 1 9   ? 47.022 24.814  32.552 1.000 12.204 0 9   SER   A CB  1 
ATOM   73   O  OG  . SER   A 1 9   ? 45.893 24.277  33.228 1.000 12.230 0 9   SER   A OG  1 
ATOM   74   N  N   . THR   A 1 10  ? 48.969 22.332  32.443 1.000 11.525 0 10  THR   A N   1 
ATOM   75   C  CA  . THR   A 1 10  ? 49.298 21.083  33.129 1.000 12.370 0 10  THR   A CA  1 
ATOM   76   C  C   . THR   A 1 10  ? 48.354 20.869  34.317 1.000 10.434 0 10  THR   A C   1 
ATOM   77   O  O   . THR   A 1 10  ? 48.047 19.736  34.620 1.000 10.882 0 10  THR   A O   1 
ATOM   78   C  CB  . THR   A 1 10  ? 50.772 21.013  33.537 1.000 14.251 0 10  THR   A CB  1 
ATOM   79   O  OG1 . THR   A 1 10  ? 51.022 22.163  34.327 1.000 17.498 0 10  THR   A OG1 1 
ATOM   80   C  CG2 . THR   A 1 10  ? 51.667 21.100  32.310 1.000 15.255 0 10  THR   A CG2 1 
ATOM   81   N  N   . GLU   A 1 11  ? 47.940 21.927  34.984 1.000 10.651 0 11  GLU   A N   1 
ATOM   82   C  CA  . GLU   A 1 11  ? 47.094 21.823  36.174 1.000 10.668 0 11  GLU   A CA  1 
ATOM   83   C  C   . GLU   A 1 11  ? 45.717 21.258  35.789 1.000 9.580  0 11  GLU   A C   1 
ATOM   84   O  O   . GLU   A 1 11  ? 45.215 20.372  36.458 1.000 9.796  0 11  GLU   A O   1 
ATOM   85   C  CB  . GLU   A 1 11  ? 46.875 23.138  36.906 1.000 11.604 0 11  GLU   A CB  1 
ATOM   86   C  CG  . GLU   A 1 11  ? 48.177 23.685  37.499 1.000 13.659 0 11  GLU   A CG  1 
ATOM   87   C  CD  . GLU   A 1 11  ? 49.033 24.530  36.570 1.000 17.418 0 11  GLU   A CD  1 
ATOM   88   O  OE1 . GLU   A 1 11  ? 48.834 24.709  35.353 1.000 14.976 0 11  GLU   A OE1 1 
ATOM   89   O  OE2 . GLU   A 1 11  ? 50.092 24.962  37.126 1.000 22.108 0 11  GLU   A OE2 1 
ATOM   90   N  N   . VAL   A 1 12  ? 45.176 21.735  34.683 1.000 9.658  0 12  VAL   A N   1 
ATOM   91   C  CA  . VAL   A 1 12  ? 43.897 21.237  34.193 1.000 9.560  0 12  VAL   A CA  1 
ATOM   92   C  C   . VAL   A 1 12  ? 44.038 19.779  33.742 1.000 9.154  0 12  VAL   A C   1 
ATOM   93   O  O   . VAL   A 1 12  ? 43.230 18.940  34.106 1.000 9.135  0 12  VAL   A O   1 
ATOM   94   C  CB  . VAL   A 1 12  ? 43.263 22.134  33.120 1.000 9.718  0 12  VAL   A CB  1 
ATOM   95   C  CG1 . VAL   A 1 12  ? 42.146 21.432  32.368 1.000 9.860  0 12  VAL   A CG1 1 
ATOM   96   C  CG2 . VAL   A 1 12  ? 42.765 23.445  33.716 1.000 9.699  0 12  VAL   A CG2 1 
ATOM   97   N  N   . GLU   A 1 13  ? 45.100 19.480  33.001 1.000 8.579  0 13  GLU   A N   1 
ATOM   98   C  CA  . GLU   A 1 13  ? 45.356 18.136  32.531 1.000 8.459  0 13  GLU   A CA  1 
ATOM   99   C  C   . GLU   A 1 13  ? 45.349 17.133  33.686 1.000 8.296  0 13  GLU   A C   1 
ATOM   100  O  O   . GLU   A 1 13  ? 44.686 16.108  33.596 1.000 8.914  0 13  GLU   A O   1 
ATOM   101  C  CB  . GLU   A 1 13  ? 46.661 18.108  31.725 1.000 8.703  0 13  GLU   A CB  1 
ATOM   102  C  CG  . GLU   A 1 13  ? 47.072 16.702  31.318 1.000 9.186  0 13  GLU   A CG  1 
ATOM   103  C  CD  . GLU   A 1 13  ? 48.440 16.691  30.621 1.000 10.621 0 13  GLU   A CD  1 
ATOM   104  O  OE1 . GLU   A 1 13  ? 49.206 17.665  30.844 1.000 13.626 0 13  GLU   A OE1 1 
ATOM   105  O  OE2 . GLU   A 1 13  ? 48.846 15.750  29.912 1.000 11.908 0 13  GLU   A OE2 1 
ATOM   106  N  N   . ALA   A 1 14  ? 46.091 17.442  34.767 1.000 8.864  0 14  ALA   A N   1 
ATOM   107  C  CA  . ALA   A 1 14  ? 46.161 16.565  35.927 1.000 8.744  0 14  ALA   A CA  1 
ATOM   108  C  C   . ALA   A 1 14  ? 44.797 16.468  36.604 1.000 9.219  0 14  ALA   A C   1 
ATOM   109  O  O   . ALA   A 1 14  ? 44.408 15.367  37.033 1.000 9.580  0 14  ALA   A O   1 
ATOM   110  C  CB  . ALA   A 1 14  ? 47.217 17.095  36.886 1.000 9.669  0 14  ALA   A CB  1 
ATOM   111  N  N   . ALA   A 1 15  ? 44.112 17.611  36.752 1.000 8.486  0 15  ALA   A N   1 
ATOM   112  C  CA  . ALA   A 1 15  ? 42.817 17.615  37.403 1.000 8.773  0 15  ALA   A CA  1 
ATOM   113  C  C   . ALA   A 1 15  ? 41.829 16.774  36.604 1.000 9.110  0 15  ALA   A C   1 
ATOM   114  O  O   . ALA   A 1 15  ? 40.947 16.173  37.227 1.000 9.634  0 15  ALA   A O   1 
ATOM   115  C  CB  . ALA   A 1 15  ? 42.322 19.027  37.623 1.000 9.281  0 15  ALA   A CB  1 
ATOM   116  N  N   . VAL   A 1 16  ? 41.884 16.829  35.268 1.000 8.504  0 16  VAL   A N   1 
ATOM   117  C  CA  . VAL   A 1 16  ? 40.997 16.006  34.445 1.000 7.856  0 16  VAL   A CA  1 
ATOM   118  C  C   . VAL   A 1 16  ? 41.278 14.529  34.692 1.000 8.128  0 16  VAL   A C   1 
ATOM   119  O  O   . VAL   A 1 16  ? 40.360 13.728  34.820 1.000 8.193  0 16  VAL   A O   1 
ATOM   120  C  CB  . VAL   A 1 16  ? 41.121 16.396  32.967 1.000 8.951  0 16  VAL   A CB  1 
ATOM   121  C  CG1 . VAL   A 1 16  ? 40.514 15.361  32.028 1.000 8.829  0 16  VAL   A CG1 1 
ATOM   122  C  CG2 . VAL   A 1 16  ? 40.489 17.766  32.736 1.000 8.472  0 16  VAL   A CG2 1 
ATOM   123  N  N   . ASN   A 1 17  ? 42.556 14.133  34.751 1.000 7.796  0 17  ASN   A N   1 
ATOM   124  C  CA  . ASN   A 1 17  ? 42.881 12.750  35.059 1.000 8.004  0 17  ASN   A CA  1 
ATOM   125  C  C   . ASN   A 1 17  ? 42.311 12.326  36.435 1.000 8.892  0 17  ASN   A C   1 
ATOM   126  O  O   . ASN   A 1 17  ? 41.842 11.197  36.607 1.000 8.640  0 17  ASN   A O   1 
ATOM   127  C  CB  . ASN   A 1 17  ? 44.364 12.495  34.962 1.000 8.171  0 17  ASN   A CB  1 
ATOM   128  C  CG  . ASN   A 1 17  ? 44.851 12.392  33.553 1.000 8.547  0 17  ASN   A CG  1 
ATOM   129  O  OD1 . ASN   A 1 17  ? 44.099 11.915  32.699 1.000 8.068  0 17  ASN   A OD1 1 
ATOM   130  N  ND2 . ASN   A 1 17  ? 46.080 12.827  33.327 1.000 9.343  0 17  ASN   A ND2 1 
ATOM   131  N  N   . ARG   A 1 18  ? 42.394 13.210  37.441 1.000 9.407  0 18  ARG   A N   1 
ATOM   132  C  CA  . ARG   A 1 18  ? 41.868 12.945  38.786 1.000 10.806 0 18  ARG   A CA  1 
ATOM   133  C  C   . ARG   A 1 18  ? 40.360 12.735  38.705 1.000 10.116 0 18  ARG   A C   1 
ATOM   134  O  O   . ARG   A 1 18  ? 39.802 11.790  39.269 1.000 8.606  0 18  ARG   A O   1 
ATOM   135  C  CB  . ARG   A 1 18  ? 42.287 14.031  39.786 1.000 13.083 0 18  ARG   A CB  1 
ATOM   136  C  CG  . ARG   A 1 18  ? 43.766 13.900  40.094 1.000 20.857 0 18  ARG   A CG  1 
ATOM   137  C  CD  . ARG   A 1 18  ? 44.179 14.491  41.433 1.000 25.001 0 18  ARG   A CD  1 
ATOM   138  N  NE  . ARG   A 1 18  ? 44.101 15.937  41.243 1.000 29.660 0 18  ARG   A NE  1 
ATOM   139  C  CZ  . ARG   A 1 18  ? 45.028 16.664  40.610 1.000 26.649 0 18  ARG   A CZ  1 
ATOM   140  N  NH1 . ARG   A 1 18  ? 46.249 16.154  40.433 1.000 28.114 0 18  ARG   A NH1 1 
ATOM   141  N  NH2 . ARG   A 1 18  ? 44.691 17.888  40.293 1.000 20.219 0 18  ARG   A NH2 1 
ATOM   142  N  N   . LEU   A 1 19  ? 39.722 13.584  37.934 1.000 9.271  0 19  LEU   A N   1 
ATOM   143  C  CA  . LEU   A 1 19  ? 38.272 13.526  37.791 1.000 9.203  0 19  LEU   A CA  1 
ATOM   144  C  C   . LEU   A 1 19  ? 37.830 12.240  37.095 1.000 9.367  0 19  LEU   A C   1 
ATOM   145  O  O   . LEU   A 1 19  ? 36.799 11.681  37.456 1.000 8.251  0 19  LEU   A O   1 
ATOM   146  C  CB  . LEU   A 1 19  ? 37.749 14.736  37.043 1.000 10.360 0 19  LEU   A CB  1 
ATOM   147  C  CG  . LEU   A 1 19  ? 36.242 14.953  37.088 1.000 10.965 0 19  LEU   A CG  1 
ATOM   148  C  CD1 . LEU   A 1 19  ? 35.733 15.105  38.509 1.000 11.794 0 19  LEU   A CD1 1 
ATOM   149  C  CD2 . LEU   A 1 19  ? 35.873 16.138  36.222 1.000 12.306 0 19  LEU   A CD2 1 
ATOM   150  N  N   . VAL   A 1 20  ? 38.592 11.767  36.104 1.000 8.383  0 20  VAL   A N   1 
ATOM   151  C  CA  . VAL   A 1 20  ? 38.341 10.478  35.480 1.000 8.621  0 20  VAL   A CA  1 
ATOM   152  C  C   . VAL   A 1 20  ? 38.366 9.366   36.532 1.000 8.668  0 20  VAL   A C   1 
ATOM   153  O  O   . VAL   A 1 20  ? 37.476 8.527   36.569 1.000 8.547  0 20  VAL   A O   1 
ATOM   154  C  CB  . VAL   A 1 20  ? 39.352 10.183  34.357 1.000 9.566  0 20  VAL   A CB  1 
ATOM   155  C  CG1 . VAL   A 1 20  ? 39.325 8.713   33.921 1.000 9.493  0 20  VAL   A CG1 1 
ATOM   156  C  CG2 . VAL   A 1 20  ? 39.101 11.099  33.159 1.000 10.189 0 20  VAL   A CG2 1 
ATOM   157  N  N   . ASN   A 1 21  ? 39.354 9.394   37.402 1.000 8.729  0 21  ASN   A N   1 
ATOM   158  C  CA  . ASN   A 1 21  ? 39.475 8.447   38.487 1.000 9.320  0 21  ASN   A CA  1 
ATOM   159  C  C   . ASN   A 1 21  ? 38.216 8.505   39.351 1.000 9.498  0 21  ASN   A C   1 
ATOM   160  O  O   . ASN   A 1 21  ? 37.660 7.465   39.679 1.000 10.374 0 21  ASN   A O   1 
ATOM   161  C  CB  . ASN   A 1 21  ? 40.751 8.627   39.295 1.000 9.829  0 21  ASN   A CB  1 
ATOM   162  C  CG  . ASN   A 1 21  ? 40.990 7.472   40.251 1.000 10.949 0 21  ASN   A CG  1 
ATOM   163  O  OD1 . ASN   A 1 21  ? 40.622 7.557   41.436 1.000 15.248 0 21  ASN   A OD1 1 
ATOM   164  N  ND2 . ASN   A 1 21  ? 41.660 6.426   39.782 1.000 10.917 0 21  ASN   A ND2 1 
ATOM   165  N  N   . LEU   A 1 22  ? 37.785 9.710   39.691 1.000 9.580  0 22  LEU   A N   1 
ATOM   166  C  CA  . LEU   A 1 22  ? 36.606 9.845   40.550 1.000 10.878 0 22  LEU   A CA  1 
ATOM   167  C  C   . LEU   A 1 22  ? 35.351 9.300   39.874 1.000 9.953  0 22  LEU   A C   1 
ATOM   168  O  O   . LEU   A 1 22  ? 34.540 8.639   40.528 1.000 10.138 0 22  LEU   A O   1 
ATOM   169  C  CB  . LEU   A 1 22  ? 36.381 11.310  40.918 1.000 11.305 0 22  LEU   A CB  1 
ATOM   170  C  CG  . LEU   A 1 22  ? 37.381 11.923  41.896 1.000 16.859 0 22  LEU   A CG  1 
ATOM   171  C  CD1 . LEU   A 1 22  ? 37.082 13.419  42.033 1.000 18.761 0 22  LEU   A CD1 1 
ATOM   172  C  CD2 . LEU   A 1 22  ? 37.235 11.232  43.290 1.000 18.206 0 22  LEU   A CD2 1 
ATOM   173  N  N   . TYR   A 1 23  ? 35.170 9.533   38.575 1.000 9.164  0 23  TYR   A N   1 
ATOM   174  C  CA  . TYR   A 1 23  ? 34.004 9.024   37.860 1.000 9.431  0 23  TYR   A CA  1 
ATOM   175  C  C   . TYR   A 1 23  ? 34.054 7.496   37.768 1.000 10.717 0 23  TYR   A C   1 
ATOM   176  O  O   . TYR   A 1 23  ? 33.039 6.812   37.895 1.000 9.471  0 23  TYR   A O   1 
ATOM   177  C  CB  . TYR   A 1 23  ? 33.902 9.685   36.482 1.000 8.439  0 23  TYR   A CB  1 
ATOM   178  C  CG  . TYR   A 1 23  ? 33.019 10.918  36.562 1.000 9.021  0 23  TYR   A CG  1 
ATOM   179  C  CD1 . TYR   A 1 23  ? 33.487 12.104  37.154 1.000 11.136 0 23  TYR   A CD1 1 
ATOM   180  C  CD2 . TYR   A 1 23  ? 31.708 10.877  36.086 1.000 10.091 0 23  TYR   A CD2 1 
ATOM   181  C  CE1 . TYR   A 1 23  ? 32.673 13.216  37.313 1.000 13.287 0 23  TYR   A CE1 1 
ATOM   182  C  CE2 . TYR   A 1 23  ? 30.898 11.998  36.221 1.000 10.770 0 23  TYR   A CE2 1 
ATOM   183  C  CZ  . TYR   A 1 23  ? 31.356 13.133  36.871 1.000 13.300 0 23  TYR   A CZ  1 
ATOM   184  O  OH  . TYR   A 1 23  ? 30.557 14.243  37.043 1.000 14.093 0 23  TYR   A OH  1 
ATOM   185  N  N   . LEU   A 1 24  ? 35.238 6.939   37.506 1.000 10.634 0 24  LEU   A N   1 
ATOM   186  C  CA  . LEU   A 1 24  ? 35.357 5.487   37.416 1.000 9.930  0 24  LEU   A CA  1 
ATOM   187  C  C   . LEU   A 1 24  ? 35.122 4.851   38.789 1.000 9.696  0 24  LEU   A C   1 
ATOM   188  O  O   . LEU   A 1 24  ? 34.514 3.799   38.853 1.000 10.406 0 24  LEU   A O   1 
ATOM   189  C  CB  . LEU   A 1 24  ? 36.697 5.034   36.855 1.000 9.875  0 24  LEU   A CB  1 
ATOM   190  C  CG  . LEU   A 1 24  ? 36.918 5.365   35.373 1.000 10.325 0 24  LEU   A CG  1 
ATOM   191  C  CD1 . LEU   A 1 24  ? 38.311 4.988   34.958 1.000 11.270 0 24  LEU   A CD1 1 
ATOM   192  C  CD2 . LEU   A 1 24  ? 35.933 4.707   34.466 1.000 10.905 0 24  LEU   A CD2 1 
ATOM   193  N  N   A ARG   A 1 25  ? 35.582 5.491   39.863 0.480 9.403  0 25  ARG   A N   1 
ATOM   194  N  N   B ARG   A 1 25  ? 35.572 5.493   39.850 0.520 9.998  0 25  ARG   A N   1 
ATOM   195  C  CA  A ARG   A 1 25  ? 35.322 5.038   41.231 0.480 9.579  0 25  ARG   A CA  1 
ATOM   196  C  CA  B ARG   A 1 25  ? 35.303 4.975   41.180 0.520 10.823 0 25  ARG   A CA  1 
ATOM   197  C  C   A ARG   A 1 25  ? 33.816 5.066   41.520 0.480 9.547  0 25  ARG   A C   1 
ATOM   198  C  C   B ARG   A 1 25  ? 33.793 5.018   41.436 0.520 10.171 0 25  ARG   A C   1 
ATOM   199  O  O   A ARG   A 1 25  ? 33.315 4.196   42.224 0.480 9.056  0 25  ARG   A O   1 
ATOM   200  O  O   B ARG   A 1 25  ? 33.253 4.072   41.986 0.520 9.709  0 25  ARG   A O   1 
ATOM   201  C  CB  A ARG   A 1 25  ? 36.006 5.945   42.261 0.480 11.034 0 25  ARG   A CB  1 
ATOM   202  C  CB  B ARG   A 1 25  ? 36.070 5.772   42.232 0.520 13.676 0 25  ARG   A CB  1 
ATOM   203  C  CG  A ARG   A 1 25  ? 37.497 5.715   42.471 0.480 11.257 0 25  ARG   A CG  1 
ATOM   204  C  CG  B ARG   A 1 25  ? 36.192 4.913   43.478 0.520 15.484 0 25  ARG   A CG  1 
ATOM   205  C  CD  A ARG   A 1 25  ? 38.122 6.762   43.416 0.480 12.931 0 25  ARG   A CD  1 
ATOM   206  C  CD  B ARG   A 1 25  ? 36.196 5.660   44.770 0.520 18.663 0 25  ARG   A CD  1 
ATOM   207  N  NE  A ARG   A 1 25  ? 37.540 6.716   44.753 0.480 13.852 0 25  ARG   A NE  1 
ATOM   208  N  NE  B ARG   A 1 25  ? 35.771 4.797   45.877 0.520 17.744 0 25  ARG   A NE  1 
ATOM   209  C  CZ  A ARG   A 1 25  ? 37.670 7.660   45.711 0.480 15.881 0 25  ARG   A CZ  1 
ATOM   210  C  CZ  B ARG   A 1 25  ? 36.316 4.949   47.069 0.520 21.178 0 25  ARG   A CZ  1 
ATOM   211  N  NH1 A ARG   A 1 25  ? 38.367 8.760   45.488 0.480 13.190 0 25  ARG   A NH1 1 
ATOM   212  N  NH1 B ARG   A 1 25  ? 37.092 6.003   47.246 0.520 24.150 0 25  ARG   A NH1 1 
ATOM   213  N  NH2 A ARG   A 1 25  ? 37.063 7.492   46.880 0.480 18.161 0 25  ARG   A NH2 1 
ATOM   214  N  NH2 B ARG   A 1 25  ? 36.093 4.098   48.063 0.520 15.589 0 25  ARG   A NH2 1 
ATOM   215  N  N   . ALA   A 1 26  ? 33.142 6.128   41.054 1.000 8.638  0 26  ALA   A N   1 
ATOM   216  C  CA  . ALA   A 1 26  ? 31.711 6.264   41.236 1.000 9.147  0 26  ALA   A CA  1 
ATOM   217  C  C   . ALA   A 1 26  ? 31.011 5.141   40.469 1.000 8.708  0 26  ALA   A C   1 
ATOM   218  O  O   . ALA   A 1 26  ? 30.080 4.519   40.990 1.000 8.163  0 26  ALA   A O   1 
ATOM   219  C  CB  . ALA   A 1 26  ? 31.250 7.623   40.814 1.000 9.482  0 26  ALA   A CB  1 
ATOM   220  N  N   . SER   A 1 27  ? 31.442 4.869   39.222 1.000 8.149  0 27  SER   A N   1 
ATOM   221  C  CA  . SER   A 1 27  ? 30.848 3.780   38.446 1.000 8.184  0 27  SER   A CA  1 
ATOM   222  C  C   . SER   A 1 27  ? 30.978 2.459   39.201 1.000 8.649  0 27  SER   A C   1 
ATOM   223  O  O   . SER   A 1 27  ? 30.037 1.661   39.273 1.000 8.016  0 27  SER   A O   1 
ATOM   224  C  CB  . SER   A 1 27  ? 31.531 3.701   37.121 1.000 9.166  0 27  SER   A CB  1 
ATOM   225  O  OG  . SER   A 1 27  ? 30.998 2.684   36.308 1.000 9.631  0 27  SER   A OG  1 
ATOM   226  N  N   . TYR   A 1 28  ? 32.152 2.258   39.792 1.000 7.268  0 28  TYR   A N   1 
ATOM   227  C  CA  . TYR   A 1 28  ? 32.416 1.031   40.550 1.000 7.304  0 28  TYR   A CA  1 
ATOM   228  C  C   . TYR   A 1 28  ? 31.511 0.933   41.774 1.000 7.834  0 28  TYR   A C   1 
ATOM   229  O  O   . TYR   A 1 28  ? 30.973 -0.134  42.066 1.000 7.606  0 28  TYR   A O   1 
ATOM   230  C  CB  . TYR   A 1 28  ? 33.890 1.034   40.978 1.000 7.812  0 28  TYR   A CB  1 
ATOM   231  C  CG  . TYR   A 1 28  ? 34.512 -0.308  41.300 1.000 8.432  0 28  TYR   A CG  1 
ATOM   232  C  CD1 . TYR   A 1 28  ? 33.941 -1.519  40.942 1.000 9.289  0 28  TYR   A CD1 1 
ATOM   233  C  CD2 . TYR   A 1 28  ? 35.745 -0.343  41.895 1.000 9.666  0 28  TYR   A CD2 1 
ATOM   234  C  CE1 . TYR   A 1 28  ? 34.576 -2.727  41.212 1.000 10.464 0 28  TYR   A CE1 1 
ATOM   235  C  CE2 . TYR   A 1 28  ? 36.393 -1.550  42.160 1.000 10.346 0 28  TYR   A CE2 1 
ATOM   236  C  CZ  . TYR   A 1 28  ? 35.808 -2.748  41.818 1.000 9.866  0 28  TYR   A CZ  1 
ATOM   237  O  OH  . TYR   A 1 28  ? 36.462 -3.935  42.146 1.000 11.322 0 28  TYR   A OH  1 
ATOM   238  N  N   . THR   A 1 29  ? 31.339 2.049   42.491 1.000 8.134  0 29  THR   A N   1 
ATOM   239  C  CA  . THR   A 1 29  ? 30.452 2.108   43.642 1.000 8.045  0 29  THR   A CA  1 
ATOM   240  C  C   . THR   A 1 29  ? 29.022 1.739   43.235 1.000 7.419  0 29  THR   A C   1 
ATOM   241  O  O   . THR   A 1 29  ? 28.331 0.917   43.880 1.000 8.532  0 29  THR   A O   1 
ATOM   242  C  CB  . THR   A 1 29  ? 30.521 3.502   44.260 1.000 8.278  0 29  THR   A CB  1 
ATOM   243  O  OG1 . THR   A 1 29  ? 31.820 3.624   44.844 1.000 9.007  0 29  THR   A OG1 1 
ATOM   244  C  CG2 . THR   A 1 29  ? 29.440 3.688   45.305 1.000 9.054  0 29  THR   A CG2 1 
ATOM   245  N  N   . TYR   A 1 30  ? 28.561 2.295   42.096 1.000 7.509  0 30  TYR   A N   1 
ATOM   246  C  CA  . TYR   A 1 30  ? 27.221 1.978   41.596 1.000 8.338  0 30  TYR   A CA  1 
ATOM   247  C  C   . TYR   A 1 30  ? 27.083 0.528   41.134 1.000 8.063  0 30  TYR   A C   1 
ATOM   248  O  O   . TYR   A 1 30  ? 26.013 -0.068  41.271 1.000 9.033  0 30  TYR   A O   1 
ATOM   249  C  CB  . TYR   A 1 30  ? 26.781 2.964   40.510 1.000 8.378  0 30  TYR   A CB  1 
ATOM   250  C  CG  . TYR   A 1 30  ? 26.452 4.325   41.099 1.000 8.875  0 30  TYR   A CG  1 
ATOM   251  C  CD1 . TYR   A 1 30  ? 25.596 4.463   42.206 1.000 10.555 0 30  TYR   A CD1 1 
ATOM   252  C  CD2 . TYR   A 1 30  ? 26.991 5.497   40.600 1.000 8.982  0 30  TYR   A CD2 1 
ATOM   253  C  CE1 . TYR   A 1 30  ? 25.326 5.701   42.764 1.000 10.931 0 30  TYR   A CE1 1 
ATOM   254  C  CE2 . TYR   A 1 30  ? 26.703 6.739   41.127 1.000 9.127  0 30  TYR   A CE2 1 
ATOM   255  C  CZ  . TYR   A 1 30  ? 25.876 6.852   42.223 1.000 9.750  0 30  TYR   A CZ  1 
ATOM   256  O  OH  . TYR   A 1 30  ? 25.554 8.035   42.786 1.000 10.811 0 30  TYR   A OH  1 
ATOM   257  N  N   . LEU   A 1 31  ? 28.117 -0.055  40.542 1.000 7.901  0 31  LEU   A N   1 
ATOM   258  C  CA  . LEU   A 1 31  ? 28.127 -1.466  40.204 1.000 7.929  0 31  LEU   A CA  1 
ATOM   259  C  C   . LEU   A 1 31  ? 27.887 -2.274  41.469 1.000 7.942  0 31  LEU   A C   1 
ATOM   260  O  O   . LEU   A 1 31  ? 27.089 -3.210  41.447 1.000 9.376  0 31  LEU   A O   1 
ATOM   261  C  CB  . LEU   A 1 31  ? 29.466 -1.823  39.565 1.000 8.949  0 31  LEU   A CB  1 
ATOM   262  C  CG  . LEU   A 1 31  ? 29.610 -3.245  39.035 1.000 10.545 0 31  LEU   A CG  1 
ATOM   263  C  CD1 . LEU   A 1 31  ? 28.710 -3.455  37.854 1.000 10.754 0 31  LEU   A CD1 1 
ATOM   264  C  CD2 . LEU   A 1 31  ? 31.036 -3.569  38.645 1.000 11.569 0 31  LEU   A CD2 1 
ATOM   265  N  N   . SER   A 1 32  ? 28.589 -1.944  42.564 1.000 7.699  0 32  SER   A N   1 
ATOM   266  C  CA  . SER   A 1 32  ? 28.428 -2.679  43.806 1.000 7.738  0 32  SER   A CA  1 
ATOM   267  C  C   . SER   A 1 32  ? 27.019 -2.500  44.387 1.000 7.946  0 32  SER   A C   1 
ATOM   268  O  O   . SER   A 1 32  ? 26.391 -3.477  44.799 1.000 7.551  0 32  SER   A O   1 
ATOM   269  C  CB  . SER   A 1 32  ? 29.504 -2.252  44.770 1.000 9.138  0 32  SER   A CB  1 
ATOM   270  O  OG  . SER   A 1 32  ? 29.278 -2.884  46.018 1.000 8.429  0 32  SER   A OG  1 
ATOM   271  N  N   . LEU   A 1 33  ? 26.539 -1.262  44.393 1.000 7.629  0 33  LEU   A N   1 
ATOM   272  C  CA  . LEU   A 1 33  ? 25.170 -0.977  44.842 1.000 8.322  0 33  LEU   A CA  1 
ATOM   273  C  C   . LEU   A 1 33  ? 24.164 -1.810  44.054 1.000 8.032  0 33  LEU   A C   1 
ATOM   274  O  O   . LEU   A 1 33  ? 23.298 -2.447  44.666 1.000 8.765  0 33  LEU   A O   1 
ATOM   275  C  CB  . LEU   A 1 33  ? 24.879 0.508   44.765 1.000 8.173  0 33  LEU   A CB  1 
ATOM   276  C  CG  . LEU   A 1 33  ? 25.350 1.334   45.946 1.000 8.807  0 33  LEU   A CG  1 
ATOM   277  C  CD1 . LEU   A 1 33  ? 25.553 2.784   45.490 1.000 9.323  0 33  LEU   A CD1 1 
ATOM   278  C  CD2 . LEU   A 1 33  ? 24.369 1.250   47.067 1.000 9.079  0 33  LEU   A CD2 1 
ATOM   279  N  N   . GLY   A 1 34  ? 24.312 -1.840  42.730 1.000 7.739  0 34  GLY   A N   1 
ATOM   280  C  CA  . GLY   A 1 34  ? 23.352 -2.543  41.882 1.000 7.957  0 34  GLY   A CA  1 
ATOM   281  C  C   . GLY   A 1 34  ? 23.333 -4.041  42.225 1.000 8.733  0 34  GLY   A C   1 
ATOM   282  O  O   . GLY   A 1 34  ? 22.261 -4.632  42.387 1.000 9.735  0 34  GLY   A O   1 
ATOM   283  N  N   . PHE   A 1 35  ? 24.499 -4.665  42.377 1.000 8.870  0 35  PHE   A N   1 
ATOM   284  C  CA  . PHE   A 1 35  ? 24.501 -6.102  42.595 1.000 9.033  0 35  PHE   A CA  1 
ATOM   285  C  C   . PHE   A 1 35  ? 24.047 -6.414  44.014 1.000 9.176  0 35  PHE   A C   1 
ATOM   286  O  O   . PHE   A 1 35  ? 23.505 -7.494  44.217 1.000 9.816  0 35  PHE   A O   1 
ATOM   287  C  CB  . PHE   A 1 35  ? 25.859 -6.720  42.240 1.000 9.476  0 35  PHE   A CB  1 
ATOM   288  C  CG  . PHE   A 1 35  ? 25.926 -7.012  40.765 1.000 8.888  0 35  PHE   A CG  1 
ATOM   289  C  CD1 . PHE   A 1 35  ? 25.236 -8.103  40.258 1.000 10.827 0 35  PHE   A CD1 1 
ATOM   290  C  CD2 . PHE   A 1 35  ? 26.550 -6.146  39.880 1.000 10.395 0 35  PHE   A CD2 1 
ATOM   291  C  CE1 . PHE   A 1 35  ? 25.164 -8.331  38.909 1.000 10.022 0 35  PHE   A CE1 1 
ATOM   292  C  CE2 . PHE   A 1 35  ? 26.504 -6.386  38.503 1.000 10.813 0 35  PHE   A CE2 1 
ATOM   293  C  CZ  . PHE   A 1 35  ? 25.820 -7.481  38.014 1.000 10.621 0 35  PHE   A CZ  1 
ATOM   294  N  N   . TYR   A 1 36  ? 24.262 -5.509  44.987 1.000 7.908  0 36  TYR   A N   1 
ATOM   295  C  CA  . TYR   A 1 36  ? 23.768 -5.741  46.332 1.000 7.068  0 36  TYR   A CA  1 
ATOM   296  C  C   . TYR   A 1 36  ? 22.238 -5.846  46.261 1.000 7.044  0 36  TYR   A C   1 
ATOM   297  O  O   . TYR   A 1 36  ? 21.660 -6.736  46.928 1.000 7.940  0 36  TYR   A O   1 
ATOM   298  C  CB  . TYR   A 1 36  ? 24.223 -4.625  47.264 1.000 7.544  0 36  TYR   A CB  1 
ATOM   299  C  CG  . TYR   A 1 36  ? 23.557 -4.564  48.629 1.000 7.920  0 36  TYR   A CG  1 
ATOM   300  C  CD1 . TYR   A 1 36  ? 23.904 -5.436  49.637 1.000 8.885  0 36  TYR   A CD1 1 
ATOM   301  C  CD2 . TYR   A 1 36  ? 22.483 -3.697  48.853 1.000 8.670  0 36  TYR   A CD2 1 
ATOM   302  C  CE1 . TYR   A 1 36  ? 23.251 -5.410  50.858 1.000 9.279  0 36  TYR   A CE1 1 
ATOM   303  C  CE2 . TYR   A 1 36  ? 21.861 -3.632  50.089 1.000 8.929  0 36  TYR   A CE2 1 
ATOM   304  C  CZ  . TYR   A 1 36  ? 22.241 -4.503  51.089 1.000 9.640  0 36  TYR   A CZ  1 
ATOM   305  O  OH  . TYR   A 1 36  ? 21.563 -4.427  52.266 1.000 9.277  0 36  TYR   A OH  1 
ATOM   306  N  N   . PHE   A 1 37  ? 21.567 -4.917  45.546 1.000 7.135  0 37  PHE   A N   1 
ATOM   307  C  CA  . PHE   A 1 37  ? 20.096 -4.942  45.520 1.000 7.330  0 37  PHE   A CA  1 
ATOM   308  C  C   . PHE   A 1 37  ? 19.550 -6.107  44.682 1.000 8.637  0 37  PHE   A C   1 
ATOM   309  O  O   . PHE   A 1 37  ? 18.345 -6.423  44.763 1.000 9.346  0 37  PHE   A O   1 
ATOM   310  C  CB  . PHE   A 1 37  ? 19.539 -3.566  45.099 1.000 8.051  0 37  PHE   A CB  1 
ATOM   311  C  CG  . PHE   A 1 37  ? 19.625 -2.595  46.260 1.000 8.232  0 37  PHE   A CG  1 
ATOM   312  C  CD1 . PHE   A 1 37  ? 18.678 -2.627  47.271 1.000 8.153  0 37  PHE   A CD1 1 
ATOM   313  C  CD2 . PHE   A 1 37  ? 20.648 -1.674  46.368 1.000 7.665  0 37  PHE   A CD2 1 
ATOM   314  C  CE1 . PHE   A 1 37  ? 18.754 -1.761  48.331 1.000 8.368  0 37  PHE   A CE1 1 
ATOM   315  C  CE2 . PHE   A 1 37  ? 20.732 -0.817  47.441 1.000 7.409  0 37  PHE   A CE2 1 
ATOM   316  C  CZ  . PHE   A 1 37  ? 19.790 -0.856  48.428 1.000 8.066  0 37  PHE   A CZ  1 
ATOM   317  N  N   . ASP   A 1 38  ? 20.388 -6.777  43.893 1.000 7.833  0 38  ASP   A N   1 
ATOM   318  C  CA  . ASP   A 1 38  ? 20.077 -7.983  43.137 1.000 8.650  0 38  ASP   A CA  1 
ATOM   319  C  C   . ASP   A 1 38  ? 20.209 -9.257  43.966 1.000 9.327  0 38  ASP   A C   1 
ATOM   320  O  O   . ASP   A 1 38  ? 19.822 -10.318 43.488 1.000 10.101 0 38  ASP   A O   1 
ATOM   321  C  CB  . ASP   A 1 38  ? 20.954 -8.072  41.903 1.000 9.321  0 38  ASP   A CB  1 
ATOM   322  C  CG  . ASP   A 1 38  ? 20.737 -9.275  40.989 1.000 11.047 0 38  ASP   A CG  1 
ATOM   323  O  OD1 . ASP   A 1 38  ? 19.640 -9.376  40.405 1.000 12.892 0 38  ASP   A OD1 1 
ATOM   324  O  OD2 . ASP   A 1 38  ? 21.660 -10.062 40.859 1.000 12.895 0 38  ASP   A OD2 1 
ATOM   325  N  N   . ARG   A 1 39  ? 20.787 -9.181  45.160 1.000 7.867  0 39  ARG   A N   1 
ATOM   326  C  CA  . ARG   A 1 39  ? 20.911 -10.331 46.054 1.000 8.244  0 39  ARG   A CA  1 
ATOM   327  C  C   . ARG   A 1 39  ? 19.523 -10.944 46.322 1.000 7.967  0 39  ARG   A C   1 
ATOM   328  O  O   . ARG   A 1 39  ? 18.534 -10.229 46.535 1.000 8.069  0 39  ARG   A O   1 
ATOM   329  C  CB  . ARG   A 1 39  ? 21.593 -10.015 47.384 1.000 8.028  0 39  ARG   A CB  1 
ATOM   330  C  CG  . ARG   A 1 39  ? 23.079 -9.714  47.285 1.000 8.977  0 39  ARG   A CG  1 
ATOM   331  C  CD  . ARG   A 1 39  ? 23.643 -9.199  48.556 1.000 10.707 0 39  ARG   A CD  1 
ATOM   332  N  NE  . ARG   A 1 39  ? 23.293 -9.927  49.790 1.000 13.576 0 39  ARG   A NE  1 
ATOM   333  C  CZ  . ARG   A 1 39  ? 23.822 -9.599  51.006 1.000 18.554 0 39  ARG   A CZ  1 
ATOM   334  N  NH1 . ARG   A 1 39  ? 24.934 -8.833  51.181 1.000 20.586 0 39  ARG   A NH1 1 
ATOM   335  N  NH2 . ARG   A 1 39  ? 23.276 -10.124 52.079 1.000 20.294 0 39  ARG   A NH2 1 
ATOM   336  N  N   . ASP   A 1 40  ? 19.490 -12.285 46.454 1.000 7.467  0 40  ASP   A N   1 
ATOM   337  C  CA  . ASP   A 1 40  ? 18.226 -12.939 46.741 1.000 7.938  0 40  ASP   A CA  1 
ATOM   338  C  C   . ASP   A 1 40  ? 17.665 -12.530 48.090 1.000 8.214  0 40  ASP   A C   1 
ATOM   339  O  O   . ASP   A 1 40  ? 16.433 -12.562 48.264 1.000 9.479  0 40  ASP   A O   1 
ATOM   340  C  CB  . ASP   A 1 40  ? 18.305 -14.449 46.662 1.000 8.895  0 40  ASP   A CB  1 
ATOM   341  C  CG  . ASP   A 1 40  ? 19.045 -15.115 47.794 1.000 9.966  0 40  ASP   A CG  1 
ATOM   342  O  OD1 . ASP   A 1 40  ? 20.297 -15.220 47.702 1.000 10.008 0 40  ASP   A OD1 1 
ATOM   343  O  OD2 . ASP   A 1 40  ? 18.398 -15.462 48.832 1.000 11.294 0 40  ASP   A OD2 1 
ATOM   344  N  N   . ASP   A 1 41  ? 18.505 -12.090 49.016 1.000 8.384  0 41  ASP   A N   1 
ATOM   345  C  CA  . ASP   A 1 41  ? 18.095 -11.676 50.346 1.000 8.972  0 41  ASP   A CA  1 
ATOM   346  C  C   . ASP   A 1 41  ? 17.921 -10.152 50.490 1.000 8.155  0 41  ASP   A C   1 
ATOM   347  O  O   . ASP   A 1 41  ? 17.716 -9.652  51.617 1.000 9.960  0 41  ASP   A O   1 
ATOM   348  C  CB  . ASP   A 1 41  ? 19.031 -12.237 51.398 1.000 9.370  0 41  ASP   A CB  1 
ATOM   349  C  CG  . ASP   A 1 41  ? 20.455 -11.725 51.332 1.000 10.655 0 41  ASP   A CG  1 
ATOM   350  O  OD1 . ASP   A 1 41  ? 20.759 -11.052 50.324 1.000 11.380 0 41  ASP   A OD1 1 
ATOM   351  O  OD2 . ASP   A 1 41  ? 21.259 -12.120 52.207 1.000 13.089 0 41  ASP   A OD2 1 
ATOM   352  N  N   . VAL   A 1 42  ? 17.878 -9.445  49.358 1.000 7.969  0 42  VAL   A N   1 
ATOM   353  C  CA  . VAL   A 1 42  ? 17.629 -8.022  49.280 1.000 8.036  0 42  VAL   A CA  1 
ATOM   354  C  C   . VAL   A 1 42  ? 16.481 -7.829  48.274 1.000 8.497  0 42  VAL   A C   1 
ATOM   355  O  O   . VAL   A 1 42  ? 15.377 -7.416  48.637 1.000 8.934  0 42  VAL   A O   1 
ATOM   356  C  CB  . VAL   A 1 42  ? 18.879 -7.201  48.900 1.000 8.701  0 42  VAL   A CB  1 
ATOM   357  C  CG1 . VAL   A 1 42  ? 18.454 -5.721  48.787 1.000 9.233  0 42  VAL   A CG1 1 
ATOM   358  C  CG2 . VAL   A 1 42  ? 20.030 -7.423  49.901 1.000 8.982  0 42  VAL   A CG2 1 
ATOM   359  N  N   . ALA   A 1 43  ? 16.728 -8.166  47.014 1.000 8.547  0 43  ALA   A N   1 
ATOM   360  C  CA  . ALA   A 1 43  ? 15.705 -8.450  46.021 1.000 8.307  0 43  ALA   A CA  1 
ATOM   361  C  C   . ALA   A 1 43  ? 14.813 -7.230  45.786 1.000 8.809  0 43  ALA   A C   1 
ATOM   362  O  O   . ALA   A 1 43  ? 13.590 -7.270  45.980 1.000 9.388  0 43  ALA   A O   1 
ATOM   363  C  CB  . ALA   A 1 43  ? 14.870 -9.651  46.413 1.000 9.652  0 43  ALA   A CB  1 
ATOM   364  N  N   . LEU   A 1 44  ? 15.411 -6.121  45.419 1.000 8.243  0 44  LEU   A N   1 
ATOM   365  C  CA  . LEU   A 1 44  ? 14.679 -4.917  45.079 1.000 8.513  0 44  LEU   A CA  1 
ATOM   366  C  C   . LEU   A 1 44  ? 15.074 -4.505  43.670 1.000 8.712  0 44  LEU   A C   1 
ATOM   367  O  O   . LEU   A 1 44  ? 15.979 -3.683  43.506 1.000 8.021  0 44  LEU   A O   1 
ATOM   368  C  CB  . LEU   A 1 44  ? 14.938 -3.844  46.120 1.000 8.484  0 44  LEU   A CB  1 
ATOM   369  C  CG  . LEU   A 1 44  ? 14.354 -4.123  47.503 1.000 8.447  0 44  LEU   A CG  1 
ATOM   370  C  CD1 . LEU   A 1 44  ? 14.958 -3.240  48.606 1.000 8.237  0 44  LEU   A CD1 1 
ATOM   371  C  CD2 . LEU   A 1 44  ? 12.845 -3.916  47.437 1.000 9.686  0 44  LEU   A CD2 1 
ATOM   372  N  N   . GLU   A 1 45  ? 14.367 -5.059  42.679 1.000 8.572  0 45  GLU   A N   1 
ATOM   373  C  CA  . GLU   A 1 45  ? 14.751 -4.939  41.287 1.000 9.984  0 45  GLU   A CA  1 
ATOM   374  C  C   . GLU   A 1 45  ? 14.836 -3.475  40.854 1.000 8.468  0 45  GLU   A C   1 
ATOM   375  O  O   . GLU   A 1 45  ? 15.783 -3.079  40.141 1.000 8.406  0 45  GLU   A O   1 
ATOM   376  C  CB  . GLU   A 1 45  ? 13.844 -5.789  40.384 1.000 13.293 0 45  GLU   A CB  1 
ATOM   377  C  CG  . GLU   A 1 45  ? 14.198 -5.795  38.901 1.000 19.147 0 45  GLU   A CG  1 
ATOM   378  C  CD  . GLU   A 1 45  ? 13.069 -6.460  38.104 1.000 28.149 0 45  GLU   A CD  1 
ATOM   379  O  OE1 . GLU   A 1 45  ? 12.755 -7.635  38.429 1.000 28.808 0 45  GLU   A OE1 1 
ATOM   380  O  OE2 . GLU   A 1 45  ? 12.462 -5.798  37.220 1.000 35.337 0 45  GLU   A OE2 1 
ATOM   381  N  N   . GLY   A 1 46  ? 13.879 -2.647  41.262 1.000 8.065  0 46  GLY   A N   1 
ATOM   382  C  CA  . GLY   A 1 46  ? 13.883 -1.249  40.842 1.000 8.561  0 46  GLY   A CA  1 
ATOM   383  C  C   . GLY   A 1 46  ? 15.121 -0.501  41.357 1.000 8.057  0 46  GLY   A C   1 
ATOM   384  O  O   . GLY   A 1 46  ? 15.631 0.408   40.679 1.000 9.100  0 46  GLY   A O   1 
ATOM   385  N  N   . VAL   A 1 47  ? 15.546 -0.875  42.531 1.000 8.527  0 47  VAL   A N   1 
ATOM   386  C  CA  . VAL   A 1 47  ? 16.709 -0.235  43.137 1.000 8.136  0 47  VAL   A CA  1 
ATOM   387  C  C   . VAL   A 1 47  ? 17.959 -0.713  42.384 1.000 9.452  0 47  VAL   A C   1 
ATOM   388  O  O   . VAL   A 1 47  ? 18.872 0.080   42.090 1.000 8.634  0 47  VAL   A O   1 
ATOM   389  C  CB  . VAL   A 1 47  ? 16.772 -0.477  44.664 1.000 8.123  0 47  VAL   A CB  1 
ATOM   390  C  CG1 . VAL   A 1 47  ? 17.935 0.284   45.261 1.000 8.155  0 47  VAL   A CG1 1 
ATOM   391  C  CG2 . VAL   A 1 47  ? 15.472 -0.121  45.382 1.000 7.975  0 47  VAL   A CG2 1 
ATOM   392  N  N   . CYS   A 1 48  ? 18.050 -2.027  42.158 1.000 8.302  0 48  CYS   A N   1 
ATOM   393  C  CA  . CYS   A 1 48  ? 19.097 -2.618  41.340 1.000 8.856  0 48  CYS   A CA  1 
ATOM   394  C  C   . CYS   A 1 48  ? 19.230 -1.835  40.024 1.000 8.787  0 48  CYS   A C   1 
ATOM   395  O  O   . CYS   A 1 48  ? 20.312 -1.355  39.626 1.000 8.945  0 48  CYS   A O   1 
ATOM   396  C  CB  . CYS   A 1 48  ? 18.839 -4.110  41.178 1.000 9.929  0 48  CYS   A CB  1 
ATOM   397  S  SG  . CYS   A 1 48  ? 19.932 -4.833  39.927 1.000 13.806 0 48  CYS   A SG  1 
ATOM   398  N  N   . HIS   A 1 49  ? 18.102 -1.664  39.317 1.000 8.557  0 49  HIS   A N   1 
ATOM   399  C  CA  . HIS   A 1 49  ? 18.141 -1.031  38.006 1.000 11.170 0 49  HIS   A CA  1 
ATOM   400  C  C   . HIS   A 1 49  ? 18.573 0.435   38.111 1.000 10.389 0 49  HIS   A C   1 
ATOM   401  O  O   . HIS   A 1 49  ? 19.326 0.910   37.246 1.000 9.903  0 49  HIS   A O   1 
ATOM   402  C  CB  . HIS   A 1 49  ? 16.764 -1.139  37.326 1.000 15.460 0 49  HIS   A CB  1 
ATOM   403  C  CG  . HIS   A 1 49  ? 16.519 -2.546  36.808 1.000 24.996 0 49  HIS   A CG  1 
ATOM   404  N  ND1 . HIS   A 1 49  ? 15.447 -2.922  36.005 1.000 33.670 0 49  HIS   A ND1 1 
ATOM   405  C  CD2 . HIS   A 1 49  ? 17.194 -3.706  37.056 1.000 28.866 0 49  HIS   A CD2 1 
ATOM   406  C  CE1 . HIS   A 1 49  ? 15.511 -4.235  35.761 1.000 31.444 0 49  HIS   A CE1 1 
ATOM   407  N  NE2 . HIS   A 1 49  ? 16.549 -4.735  36.415 1.000 31.488 0 49  HIS   A NE2 1 
ATOM   408  N  N   . PHE   A 1 50  ? 18.116 1.145   39.144 1.000 9.538  0 50  PHE   A N   1 
ATOM   409  C  CA  . PHE   A 1 50  ? 18.497 2.536   39.340 1.000 8.936  0 50  PHE   A CA  1 
ATOM   410  C  C   . PHE   A 1 50  ? 20.019 2.674   39.460 1.000 8.942  0 50  PHE   A C   1 
ATOM   411  O  O   . PHE   A 1 50  ? 20.611 3.479   38.745 1.000 9.537  0 50  PHE   A O   1 
ATOM   412  C  CB  . PHE   A 1 50  ? 17.832 3.084   40.604 1.000 8.951  0 50  PHE   A CB  1 
ATOM   413  C  CG  . PHE   A 1 50  ? 18.142 4.525   40.938 1.000 10.123 0 50  PHE   A CG  1 
ATOM   414  C  CD1 . PHE   A 1 50  ? 17.522 5.569   40.261 1.000 11.352 0 50  PHE   A CD1 1 
ATOM   415  C  CD2 . PHE   A 1 50  ? 19.037 4.830   41.947 1.000 10.289 0 50  PHE   A CD2 1 
ATOM   416  C  CE1 . PHE   A 1 50  ? 17.865 6.890   40.539 1.000 12.313 0 50  PHE   A CE1 1 
ATOM   417  C  CE2 . PHE   A 1 50  ? 19.315 6.156   42.254 1.000 11.531 0 50  PHE   A CE2 1 
ATOM   418  C  CZ  . PHE   A 1 50  ? 18.751 7.151   41.542 1.000 11.880 0 50  PHE   A CZ  1 
ATOM   419  N  N   . PHE   A 1 51  ? 20.637 1.863   40.307 1.000 9.219  0 51  PHE   A N   1 
ATOM   420  C  CA  . PHE   A 1 51  ? 22.082 1.975   40.483 1.000 9.294  0 51  PHE   A CA  1 
ATOM   421  C  C   . PHE   A 1 51  ? 22.868 1.414   39.303 1.000 11.115 0 51  PHE   A C   1 
ATOM   422  O  O   . PHE   A 1 51  ? 23.913 1.981   38.945 1.000 10.624 0 51  PHE   A O   1 
ATOM   423  C  CB  . PHE   A 1 51  ? 22.511 1.358   41.823 1.000 8.836  0 51  PHE   A CB  1 
ATOM   424  C  CG  . PHE   A 1 51  ? 22.028 2.138   43.012 1.000 8.845  0 51  PHE   A CG  1 
ATOM   425  C  CD1 . PHE   A 1 51  ? 22.267 3.494   43.104 1.000 10.385 0 51  PHE   A CD1 1 
ATOM   426  C  CD2 . PHE   A 1 51  ? 21.259 1.554   44.020 1.000 8.818  0 51  PHE   A CD2 1 
ATOM   427  C  CE1 . PHE   A 1 51  ? 21.828 4.235   44.175 1.000 9.606  0 51  PHE   A CE1 1 
ATOM   428  C  CE2 . PHE   A 1 51  ? 20.840 2.300   45.111 1.000 9.616  0 51  PHE   A CE2 1 
ATOM   429  C  CZ  . PHE   A 1 51  ? 21.117 3.624   45.189 1.000 11.041 0 51  PHE   A CZ  1 
ATOM   430  N  N   . ARG   A 1 52  ? 22.383 0.358   38.661 1.000 11.277 0 52  ARG   A N   1 
ATOM   431  C  CA  B ARG   A 1 52  ? 23.054 -0.180  37.485 0.360 12.852 0 52  ARG   A CA  1 
ATOM   432  C  CA  C ARG   A 1 52  ? 23.043 -0.179  37.474 0.640 14.120 0 52  ARG   A CA  1 
ATOM   433  C  C   . ARG   A 1 52  ? 23.148 0.895   36.399 1.000 12.892 0 52  ARG   A C   1 
ATOM   434  O  O   . ARG   A 1 52  ? 24.213 1.056   35.775 1.000 13.258 0 52  ARG   A O   1 
ATOM   435  C  CB  B ARG   A 1 52  ? 22.303 -1.421  36.998 0.360 13.768 0 52  ARG   A CB  1 
ATOM   436  C  CB  C ARG   A 1 52  ? 22.235 -1.316  36.853 0.640 16.983 0 52  ARG   A CB  1 
ATOM   437  C  CG  B ARG   A 1 52  ? 22.883 -1.975  35.706 0.360 14.957 0 52  ARG   A CG  1 
ATOM   438  C  CG  C ARG   A 1 52  ? 22.673 -2.676  37.352 0.640 21.971 0 52  ARG   A CG  1 
ATOM   439  C  CD  B ARG   A 1 52  ? 22.159 -3.226  35.257 0.360 17.070 0 52  ARG   A CD  1 
ATOM   440  C  CD  C ARG   A 1 52  ? 21.768 -3.739  36.723 0.640 23.441 0 52  ARG   A CD  1 
ATOM   441  N  NE  B ARG   A 1 52  ? 20.792 -2.967  34.819 0.360 18.268 0 52  ARG   A NE  1 
ATOM   442  N  NE  C ARG   A 1 52  ? 22.133 -5.020  37.331 0.640 25.783 0 52  ARG   A NE  1 
ATOM   443  C  CZ  B ARG   A 1 52  ? 19.943 -3.945  34.655 0.360 19.625 0 52  ARG   A CZ  1 
ATOM   444  C  CZ  C ARG   A 1 52  ? 21.526 -6.184  37.114 0.640 22.604 0 52  ARG   A CZ  1 
ATOM   445  N  NH1 B ARG   A 1 52  ? 20.307 -5.167  35.001 0.360 20.907 0 52  ARG   A NH1 1 
ATOM   446  N  NH1 C ARG   A 1 52  ? 20.552 -6.279  36.240 0.640 25.225 0 52  ARG   A NH1 1 
ATOM   447  N  NH2 B ARG   A 1 52  ? 18.754 -3.701  34.169 0.360 21.374 0 52  ARG   A NH2 1 
ATOM   448  N  NH2 C ARG   A 1 52  ? 21.900 -7.241  37.796 0.640 25.363 0 52  ARG   A NH2 1 
ATOM   449  N  N   . PHE   A 1 53  ? 22.045 1.639   36.168 1.000 13.320 0 53  PHE   A N   1 
ATOM   450  C  CA  A PHE   A 1 53  ? 21.990 2.709   35.179 0.600 14.148 0 53  PHE   A CA  1 
ATOM   451  C  CA  B PHE   A 1 53  ? 22.061 2.657   35.133 0.400 14.602 0 53  PHE   A CA  1 
ATOM   452  C  C   . PHE   A 1 53  ? 23.037 3.771   35.530 1.000 14.268 0 53  PHE   A C   1 
ATOM   453  O  O   . PHE   A 1 53  ? 23.753 4.304   34.660 1.000 12.258 0 53  PHE   A O   1 
ATOM   454  C  CB  A PHE   A 1 53  ? 20.640 3.431   35.099 0.600 16.695 0 53  PHE   A CB  1 
ATOM   455  C  CB  B PHE   A 1 53  ? 20.624 3.046   34.789 0.400 17.261 0 53  PHE   A CB  1 
ATOM   456  C  CG  A PHE   A 1 53  ? 20.719 4.734   34.312 0.600 18.989 0 53  PHE   A CG  1 
ATOM   457  C  CG  B PHE   A 1 53  ? 20.158 2.275   33.563 0.400 20.229 0 53  PHE   A CG  1 
ATOM   458  C  CD1 A PHE   A 1 53  ? 20.745 5.960   34.959 0.600 22.414 0 53  PHE   A CD1 1 
ATOM   459  C  CD1 B PHE   A 1 53  ? 19.913 2.931   32.363 0.400 22.779 0 53  PHE   A CD1 1 
ATOM   460  C  CD2 A PHE   A 1 53  ? 20.837 4.729   32.930 0.600 24.917 0 53  PHE   A CD2 1 
ATOM   461  C  CD2 B PHE   A 1 53  ? 20.082 0.887   33.574 0.400 22.077 0 53  PHE   A CD2 1 
ATOM   462  C  CE1 A PHE   A 1 53  ? 20.898 7.146   34.242 0.600 23.960 0 53  PHE   A CE1 1 
ATOM   463  C  CE1 B PHE   A 1 53  ? 19.535 2.221   31.226 0.400 23.733 0 53  PHE   A CE1 1 
ATOM   464  C  CE2 A PHE   A 1 53  ? 20.974 5.918   32.219 0.600 24.580 0 53  PHE   A CE2 1 
ATOM   465  C  CE2 B PHE   A 1 53  ? 19.729 0.183   32.428 0.400 23.644 0 53  PHE   A CE2 1 
ATOM   466  C  CZ  A PHE   A 1 53  ? 21.008 7.118   32.879 0.600 23.644 0 53  PHE   A CZ  1 
ATOM   467  C  CZ  B PHE   A 1 53  ? 19.443 0.853   31.262 0.400 23.597 0 53  PHE   A CZ  1 
ATOM   468  N  N   . LEU   A 1 54  ? 23.122 4.087   36.832 1.000 12.206 0 54  LEU   A N   1 
ATOM   469  C  CA  . LEU   A 1 54  ? 24.116 5.087   37.253 1.000 11.939 0 54  LEU   A CA  1 
ATOM   470  C  C   . LEU   A 1 54  ? 25.541 4.565   37.041 1.000 10.998 0 54  LEU   A C   1 
ATOM   471  O  O   . LEU   A 1 54  ? 26.456 5.342   36.776 1.000 11.321 0 54  LEU   A O   1 
ATOM   472  C  CB  . LEU   A 1 54  ? 23.878 5.530   38.693 1.000 11.751 0 54  LEU   A CB  1 
ATOM   473  C  CG  . LEU   A 1 54  ? 22.633 6.370   38.933 1.000 12.772 0 54  LEU   A CG  1 
ATOM   474  C  CD1 . LEU   A 1 54  ? 22.423 6.745   40.357 1.000 14.468 0 54  LEU   A CD1 1 
ATOM   475  C  CD2 . LEU   A 1 54  ? 22.665 7.566   38.024 1.000 15.622 0 54  LEU   A CD2 1 
ATOM   476  N  N   . ALA   A 1 55  ? 25.815 3.263   37.190 1.000 10.602 0 55  ALA   A N   1 
ATOM   477  C  CA  . ALA   A 1 55  ? 27.161 2.755   36.918 1.000 10.254 0 55  ALA   A CA  1 
ATOM   478  C  C   . ALA   A 1 55  ? 27.501 3.058   35.460 1.000 11.397 0 55  ALA   A C   1 
ATOM   479  O  O   . ALA   A 1 55  ? 28.617 3.481   35.144 1.000 10.558 0 55  ALA   A O   1 
ATOM   480  C  CB  . ALA   A 1 55  ? 27.236 1.253   37.191 1.000 10.955 0 55  ALA   A CB  1 
ATOM   481  N  N   . PHE   A 1 56  ? 26.531 2.891   34.566 1.000 10.799 0 56  PHE   A N   1 
ATOM   482  C  CA  A PHE   A 1 56  ? 26.821 3.091   33.160 0.500 11.326 0 56  PHE   A CA  1 
ATOM   483  C  CA  B PHE   A 1 56  ? 26.718 3.120   33.137 0.500 12.305 0 56  PHE   A CA  1 
ATOM   484  C  C   . PHE   A 1 56  ? 26.992 4.598   32.903 1.000 12.360 0 56  PHE   A C   1 
ATOM   485  O  O   . PHE   A 1 56  ? 27.918 5.003   32.175 1.000 12.665 0 56  PHE   A O   1 
ATOM   486  C  CB  A PHE   A 1 56  ? 25.754 2.386   32.315 0.500 11.537 0 56  PHE   A CB  1 
ATOM   487  C  CB  B PHE   A 1 56  ? 25.480 2.759   32.296 0.500 13.986 0 56  PHE   A CB  1 
ATOM   488  C  CG  A PHE   A 1 56  ? 25.421 0.915   32.553 0.500 12.679 0 56  PHE   A CG  1 
ATOM   489  C  CG  B PHE   A 1 56  ? 25.372 3.422   30.916 0.500 17.196 0 56  PHE   A CG  1 
ATOM   490  C  CD1 A PHE   A 1 56  ? 26.278 0.027   33.186 0.500 12.967 0 56  PHE   A CD1 1 
ATOM   491  C  CD1 B PHE   A 1 56  ? 24.696 4.623   30.733 0.500 18.139 0 56  PHE   A CD1 1 
ATOM   492  C  CD2 A PHE   A 1 56  ? 24.200 0.412   32.132 0.500 12.833 0 56  PHE   A CD2 1 
ATOM   493  C  CD2 B PHE   A 1 56  ? 25.983 2.851   29.803 0.500 20.531 0 56  PHE   A CD2 1 
ATOM   494  C  CE1 A PHE   A 1 56  ? 25.914 -1.300  33.400 0.500 12.822 0 56  PHE   A CE1 1 
ATOM   495  C  CE1 B PHE   A 1 56  ? 24.627 5.228   29.483 0.500 20.554 0 56  PHE   A CE1 1 
ATOM   496  C  CE2 A PHE   A 1 56  ? 23.862 -0.924  32.293 0.500 12.863 0 56  PHE   A CE2 1 
ATOM   497  C  CE2 B PHE   A 1 56  ? 25.908 3.463   28.551 0.500 21.710 0 56  PHE   A CE2 1 
ATOM   498  C  CZ  A PHE   A 1 56  ? 24.720 -1.785  32.924 0.500 13.293 0 56  PHE   A CZ  1 
ATOM   499  C  CZ  B PHE   A 1 56  ? 25.247 4.662   28.404 0.500 21.660 0 56  PHE   A CZ  1 
ATOM   500  N  N   . PHE   A 1 57  ? 26.146 5.453   33.485 1.000 12.260 0 57  PHE   A N   1 
ATOM   501  C  CA  A PHE   A 1 57  ? 26.245 6.886   33.267 0.700 13.687 0 57  PHE   A CA  1 
ATOM   502  C  CA  B PHE   A 1 57  ? 26.266 6.882   33.212 0.300 12.501 0 57  PHE   A CA  1 
ATOM   503  C  C   . PHE   A 1 57  ? 27.582 7.437   33.762 1.000 12.073 0 57  PHE   A C   1 
ATOM   504  O  O   . PHE   A 1 57  ? 28.191 8.323   33.157 1.000 11.362 0 57  PHE   A O   1 
ATOM   505  C  CB  A PHE   A 1 57  ? 25.069 7.462   34.045 0.700 16.801 0 57  PHE   A CB  1 
ATOM   506  C  CB  B PHE   A 1 57  ? 25.083 7.732   33.682 0.300 13.289 0 57  PHE   A CB  1 
ATOM   507  C  CG  A PHE   A 1 57  ? 24.666 8.900   33.777 0.700 22.969 0 57  PHE   A CG  1 
ATOM   508  C  CG  B PHE   A 1 57  ? 24.042 7.887   32.580 0.300 15.233 0 57  PHE   A CG  1 
ATOM   509  C  CD1 A PHE   A 1 57  ? 24.814 9.485   32.521 0.700 28.683 0 57  PHE   A CD1 1 
ATOM   510  C  CD1 B PHE   A 1 57  ? 22.843 7.200   32.639 0.300 16.638 0 57  PHE   A CD1 1 
ATOM   511  C  CD2 A PHE   A 1 57  ? 24.063 9.645   34.785 0.700 27.950 0 57  PHE   A CD2 1 
ATOM   512  C  CD2 B PHE   A 1 57  ? 24.308 8.659   31.454 0.300 17.119 0 57  PHE   A CD2 1 
ATOM   513  C  CE1 A PHE   A 1 57  ? 24.381 10.786  32.288 0.700 28.750 0 57  PHE   A CE1 1 
ATOM   514  C  CE1 B PHE   A 1 57  ? 21.907 7.319   31.623 0.300 16.958 0 57  PHE   A CE1 1 
ATOM   515  C  CE2 A PHE   A 1 57  ? 23.623 10.937  34.544 0.700 31.435 0 57  PHE   A CE2 1 
ATOM   516  C  CE2 B PHE   A 1 57  ? 23.372 8.784   30.444 0.300 17.853 0 57  PHE   A CE2 1 
ATOM   517  C  CZ  A PHE   A 1 57  ? 23.799 11.505  33.298 0.700 29.349 0 57  PHE   A CZ  1 
ATOM   518  C  CZ  B PHE   A 1 57  ? 22.174 8.110   30.531 0.300 17.548 0 57  PHE   A CZ  1 
ATOM   519  N  N   . LYS   A 1 58  ? 28.049 6.952   34.898 1.000 10.696 0 58  LYS   A N   1 
ATOM   520  C  CA  . LYS   A 1 58  ? 29.316 7.469   35.409 1.000 9.526  0 58  LYS   A CA  1 
ATOM   521  C  C   . LYS   A 1 58  ? 30.486 6.974   34.566 1.000 11.054 0 58  LYS   A C   1 
ATOM   522  O  O   . LYS   A 1 58  ? 31.462 7.738   34.333 1.000 11.383 0 58  LYS   A O   1 
ATOM   523  C  CB  . LYS   A 1 58  ? 29.513 7.070   36.874 1.000 9.942  0 58  LYS   A CB  1 
ATOM   524  C  CG  . LYS   A 1 58  ? 28.522 7.763   37.798 1.000 10.639 0 58  LYS   A CG  1 
ATOM   525  C  CD  . LYS   A 1 58  ? 28.464 9.268   37.673 1.000 12.887 0 58  LYS   A CD  1 
ATOM   526  C  CE  . LYS   A 1 58  ? 27.521 9.832   38.622 1.000 16.293 0 58  LYS   A CE  1 
ATOM   527  N  NZ  . LYS   A 1 58  ? 27.374 11.261  38.350 1.000 15.689 0 58  LYS   A NZ  1 
ATOM   528  N  N   . PHE   A 1 59  ? 30.397 5.741   34.048 1.000 9.870  0 59  PHE   A N   1 
ATOM   529  C  CA  . PHE   A 1 59  ? 31.445 5.314   33.108 1.000 9.635  0 59  PHE   A CA  1 
ATOM   530  C  C   . PHE   A 1 59  ? 31.484 6.236   31.889 1.000 9.911  0 59  PHE   A C   1 
ATOM   531  O  O   . PHE   A 1 59  ? 32.567 6.647   31.419 1.000 10.083 0 59  PHE   A O   1 
ATOM   532  C  CB  . PHE   A 1 59  ? 31.218 3.865   32.714 1.000 9.788  0 59  PHE   A CB  1 
ATOM   533  C  CG  . PHE   A 1 59  ? 32.152 3.459   31.616 1.000 10.796 0 59  PHE   A CG  1 
ATOM   534  C  CD1 . PHE   A 1 59  ? 33.489 3.179   31.910 1.000 11.808 0 59  PHE   A CD1 1 
ATOM   535  C  CD2 . PHE   A 1 59  ? 31.744 3.439   30.294 1.000 14.069 0 59  PHE   A CD2 1 
ATOM   536  C  CE1 . PHE   A 1 59  ? 34.353 2.828   30.890 1.000 13.023 0 59  PHE   A CE1 1 
ATOM   537  C  CE2 . PHE   A 1 59  ? 32.644 3.110   29.278 1.000 14.440 0 59  PHE   A CE2 1 
ATOM   538  C  CZ  . PHE   A 1 59  ? 33.933 2.866   29.592 1.000 13.610 0 59  PHE   A CZ  1 
ATOM   539  N  N   . PHE   A 1 60  ? 30.307 6.574   31.371 1.000 10.299 0 60  PHE   A N   1 
ATOM   540  C  CA  A PHE   A 1 60  ? 30.302 7.383   30.164 0.700 11.619 0 60  PHE   A CA  1 
ATOM   541  C  CA  B PHE   A 1 60  ? 30.157 7.444   30.214 0.300 10.504 0 60  PHE   A CA  1 
ATOM   542  C  C   . PHE   A 1 60  ? 30.781 8.813   30.471 1.000 10.061 0 60  PHE   A C   1 
ATOM   543  O  O   . PHE   A 1 60  ? 31.390 9.410   29.579 1.000 10.111 0 60  PHE   A O   1 
ATOM   544  C  CB  A PHE   A 1 60  ? 29.022 7.215   29.330 0.700 15.299 0 60  PHE   A CB  1 
ATOM   545  C  CB  B PHE   A 1 60  ? 28.666 7.629   29.911 0.300 11.264 0 60  PHE   A CB  1 
ATOM   546  C  CG  A PHE   A 1 60  ? 29.168 5.956   28.481 0.700 19.251 0 60  PHE   A CG  1 
ATOM   547  C  CG  B PHE   A 1 60  ? 28.334 8.580   28.769 0.300 12.631 0 60  PHE   A CG  1 
ATOM   548  C  CD1 A PHE   A 1 60  ? 30.088 5.908   27.428 0.700 21.874 0 60  PHE   A CD1 1 
ATOM   549  C  CD1 B PHE   A 1 60  ? 28.699 8.274   27.458 0.300 12.629 0 60  PHE   A CD1 1 
ATOM   550  C  CD2 A PHE   A 1 60  ? 28.524 4.781   28.817 0.700 22.345 0 60  PHE   A CD2 1 
ATOM   551  C  CD2 B PHE   A 1 60  ? 27.628 9.758   29.005 0.300 14.095 0 60  PHE   A CD2 1 
ATOM   552  C  CE1 A PHE   A 1 60  ? 30.303 4.744   26.702 0.700 22.872 0 60  PHE   A CE1 1 
ATOM   553  C  CE1 B PHE   A 1 60  ? 28.357 9.133   26.416 0.300 13.554 0 60  PHE   A CE1 1 
ATOM   554  C  CE2 A PHE   A 1 60  ? 28.715 3.630   28.064 0.700 23.901 0 60  PHE   A CE2 1 
ATOM   555  C  CE2 B PHE   A 1 60  ? 27.295 10.603  27.958 0.300 13.822 0 60  PHE   A CE2 1 
ATOM   556  C  CZ  A PHE   A 1 60  ? 29.617 3.606   27.023 0.700 25.397 0 60  PHE   A CZ  1 
ATOM   557  C  CZ  B PHE   A 1 60  ? 27.673 10.295  26.677 0.300 13.727 0 60  PHE   A CZ  1 
ATOM   558  N  N   . GLY   A 1 61  ? 30.602 9.329   31.694 1.000 9.600  0 61  GLY   A N   1 
ATOM   559  C  CA  . GLY   A 1 61  ? 31.192 10.595  32.096 1.000 9.751  0 61  GLY   A CA  1 
ATOM   560  C  C   . GLY   A 1 61  ? 32.716 10.484  32.018 1.000 10.066 0 61  GLY   A C   1 
ATOM   561  O  O   . GLY   A 1 61  ? 33.383 11.371  31.500 1.000 10.054 0 61  GLY   A O   1 
ATOM   562  N  N   . ALA   A 1 62  ? 33.268 9.422   32.609 1.000 9.053  0 62  ALA   A N   1 
ATOM   563  C  CA  . ALA   A 1 62  ? 34.706 9.204   32.488 1.000 8.943  0 62  ALA   A CA  1 
ATOM   564  C  C   . ALA   A 1 62  ? 35.147 9.180   31.031 1.000 8.904  0 62  ALA   A C   1 
ATOM   565  O  O   . ALA   A 1 62  ? 36.187 9.758   30.658 1.000 8.605  0 62  ALA   A O   1 
ATOM   566  C  CB  . ALA   A 1 62  ? 35.123 7.948   33.197 1.000 9.468  0 62  ALA   A CB  1 
ATOM   567  N  N   . PHE   A 1 63  ? 34.452 8.382   30.202 1.000 8.321  0 63  PHE   A N   1 
ATOM   568  C  CA  . PHE   A 1 63  ? 34.767 8.271   28.785 1.000 8.901  0 63  PHE   A CA  1 
ATOM   569  C  C   . PHE   A 1 63  ? 34.778 9.643   28.118 1.000 9.741  0 63  PHE   A C   1 
ATOM   570  O  O   . PHE   A 1 63  ? 35.722 9.938   27.355 1.000 9.918  0 63  PHE   A O   1 
ATOM   571  C  CB  . PHE   A 1 63  ? 33.738 7.322   28.177 1.000 9.287  0 63  PHE   A CB  1 
ATOM   572  C  CG  . PHE   A 1 63  ? 34.124 6.897   26.784 1.000 12.190 0 63  PHE   A CG  1 
ATOM   573  C  CD1 . PHE   A 1 63  ? 33.819 7.702   25.722 1.000 14.653 0 63  PHE   A CD1 1 
ATOM   574  C  CD2 . PHE   A 1 63  ? 34.747 5.680   26.560 1.000 15.719 0 63  PHE   A CD2 1 
ATOM   575  C  CE1 . PHE   A 1 63  ? 34.135 7.306   24.430 1.000 18.876 0 63  PHE   A CE1 1 
ATOM   576  C  CE2 . PHE   A 1 63  ? 35.073 5.304   25.270 1.000 18.492 0 63  PHE   A CE2 1 
ATOM   577  C  CZ  . PHE   A 1 63  ? 34.721 6.098   24.225 1.000 17.622 0 63  PHE   A CZ  1 
ATOM   578  N  N   . ARG   A 1 64  ? 33.772 10.475  28.371 1.000 9.613  0 64  ARG   A N   1 
ATOM   579  C  CA  . ARG   A 1 64  ? 33.755 11.800  27.752 1.000 11.080 0 64  ARG   A CA  1 
ATOM   580  C  C   . ARG   A 1 64  ? 34.947 12.663  28.188 1.000 9.729  0 64  ARG   A C   1 
ATOM   581  O  O   . ARG   A 1 64  ? 35.529 13.396  27.382 1.000 9.732  0 64  ARG   A O   1 
ATOM   582  C  CB  . ARG   A 1 64  ? 32.442 12.547  28.051 1.000 14.560 0 64  ARG   A CB  1 
ATOM   583  C  CG  . ARG   A 1 64  ? 31.212 12.122  27.286 1.000 24.694 0 64  ARG   A CG  1 
ATOM   584  C  CD  . ARG   A 1 64  ? 30.076 13.135  27.602 1.000 31.605 0 64  ARG   A CD  1 
ATOM   585  N  NE  . ARG   A 1 64  ? 29.325 13.621  26.442 1.000 47.679 0 64  ARG   A NE  1 
ATOM   586  C  CZ  . ARG   A 1 64  ? 29.840 14.425  25.519 1.000 59.108 0 64  ARG   A CZ  1 
ATOM   587  N  NH1 . ARG   A 1 64  ? 31.136 14.709  25.524 1.000 66.925 0 64  ARG   A NH1 1 
ATOM   588  N  NH2 . ARG   A 1 64  ? 29.053 14.929  24.584 1.000 70.074 0 64  ARG   A NH2 1 
ATOM   589  N  N   . LEU   A 1 65  ? 35.300 12.593  29.467 1.000 8.874  0 65  LEU   A N   1 
ATOM   590  C  CA  . LEU   A 1 65  ? 36.455 13.294  29.996 1.000 8.539  0 65  LEU   A CA  1 
ATOM   591  C  C   . LEU   A 1 65  ? 37.713 12.854  29.281 1.000 8.338  0 65  LEU   A C   1 
ATOM   592  O  O   . LEU   A 1 65  ? 38.555 13.720  28.955 1.000 8.535  0 65  LEU   A O   1 
ATOM   593  C  CB  . LEU   A 1 65  ? 36.637 13.157  31.504 1.000 9.339  0 65  LEU   A CB  1 
ATOM   594  C  CG  . LEU   A 1 65  ? 35.578 13.927  32.297 1.000 9.832  0 65  LEU   A CG  1 
ATOM   595  C  CD1 . LEU   A 1 65  ? 35.414 13.333  33.651 1.000 9.772  0 65  LEU   A CD1 1 
ATOM   596  C  CD2 . LEU   A 1 65  ? 36.069 15.360  32.450 1.000 10.630 0 65  LEU   A CD2 1 
ATOM   597  N  N   . LEU   A 1 66  ? 37.879 11.528  29.093 1.000 8.015  0 66  LEU   A N   1 
ATOM   598  C  CA  . LEU   A 1 66  ? 39.089 11.029  28.427 1.000 7.516  0 66  LEU   A CA  1 
ATOM   599  C  C   . LEU   A 1 66  ? 39.126 11.477  26.960 1.000 8.706  0 66  LEU   A C   1 
ATOM   600  O  O   . LEU   A 1 66  ? 40.210 11.786  26.416 1.000 9.069  0 66  LEU   A O   1 
ATOM   601  C  CB  . LEU   A 1 66  ? 39.111 9.507   28.552 1.000 8.239  0 66  LEU   A CB  1 
ATOM   602  C  CG  . LEU   A 1 66  ? 39.386 8.959   29.944 1.000 8.377  0 66  LEU   A CG  1 
ATOM   603  C  CD1 . LEU   A 1 66  ? 38.978 7.504   30.083 1.000 8.777  0 66  LEU   A CD1 1 
ATOM   604  C  CD2 . LEU   A 1 66  ? 40.868 9.144   30.247 1.000 8.919  0 66  LEU   A CD2 1 
ATOM   605  N  N   . LYS   A 1 67  ? 37.980 11.466  26.279 1.000 9.047  0 67  LYS   A N   1 
ATOM   606  C  CA  . LYS   A 1 67  ? 37.894 11.959  24.900 1.000 9.044  0 67  LYS   A CA  1 
ATOM   607  C  C   . LYS   A 1 67  ? 38.347 13.422  24.848 1.000 9.545  0 67  LYS   A C   1 
ATOM   608  O  O   . LYS   A 1 67  ? 39.139 13.822  23.985 1.000 8.496  0 67  LYS   A O   1 
ATOM   609  C  CB  . LYS   A 1 67  ? 36.492 11.748  24.347 1.000 12.031 0 67  LYS   A CB  1 
ATOM   610  C  CG  . LYS   A 1 67  ? 36.290 12.170  22.920 1.000 16.996 0 67  LYS   A CG  1 
ATOM   611  C  CD  . LYS   A 1 67  ? 34.911 11.760  22.368 1.000 25.441 0 67  LYS   A CD  1 
ATOM   612  C  CE  . LYS   A 1 67  ? 34.667 12.279  20.953 1.000 36.746 0 67  LYS   A CE  1 
ATOM   613  N  NZ  . LYS   A 1 67  ? 33.332 11.892  20.482 1.000 41.010 0 67  LYS   A NZ  1 
ATOM   614  N  N   . MET   A 1 68  ? 37.879 14.227  25.787 1.000 8.794  0 68  MET   A N   1 
ATOM   615  C  CA  . MET   A 1 68  ? 38.221 15.642  25.808 1.000 9.838  0 68  MET   A CA  1 
ATOM   616  C  C   . MET   A 1 68  ? 39.716 15.840  26.092 1.000 9.381  0 68  MET   A C   1 
ATOM   617  O  O   . MET   A 1 68  ? 40.352 16.684  25.441 1.000 10.149 0 68  MET   A O   1 
ATOM   618  C  CB  . MET   A 1 68  ? 37.361 16.359  26.840 1.000 8.697  0 68  MET   A CB  1 
ATOM   619  C  CG  . MET   A 1 68  ? 37.660 17.852  26.936 1.000 9.726  0 68  MET   A CG  1 
ATOM   620  S  SD  . MET   A 1 68  ? 39.031 18.205  28.052 1.000 11.729 0 68  MET   A SD  1 
ATOM   621  C  CE  . MET   A 1 68  ? 38.268 17.844  29.641 1.000 11.347 0 68  MET   A CE  1 
ATOM   622  N  N   . GLN   A 1 69  ? 40.290 15.057  27.007 1.000 9.545  0 69  GLN   A N   1 
ATOM   623  C  CA  . GLN   A 1 69  ? 41.702 15.108  27.350 1.000 9.389  0 69  GLN   A CA  1 
ATOM   624  C  C   . GLN   A 1 69  ? 42.507 14.943  26.047 1.000 8.346  0 69  GLN   A C   1 
ATOM   625  O  O   . GLN   A 1 69  ? 43.395 15.762  25.724 1.000 9.113  0 69  GLN   A O   1 
ATOM   626  C  CB  . GLN   A 1 69  ? 42.018 14.017  28.370 1.000 9.823  0 69  GLN   A CB  1 
ATOM   627  C  CG  . GLN   A 1 69  ? 43.470 13.869  28.837 1.000 10.940 0 69  GLN   A CG  1 
ATOM   628  C  CD  . GLN   A 1 69  ? 43.844 14.913  29.860 1.000 10.595 0 69  GLN   A CD  1 
ATOM   629  O  OE1 . GLN   A 1 69  ? 43.991 16.088  29.537 1.000 11.656 0 69  GLN   A OE1 1 
ATOM   630  N  NE2 . GLN   A 1 69  ? 44.044 14.501  31.091 1.000 11.014 0 69  GLN   A NE2 1 
ATOM   631  N  N   . ASN   A 1 70  ? 42.147 13.956  25.245 1.000 7.932  0 70  ASN   A N   1 
ATOM   632  C  CA  . ASN   A 1 70  ? 42.829 13.751  23.959 1.000 8.751  0 70  ASN   A CA  1 
ATOM   633  C  C   . ASN   A 1 70  ? 42.539 14.886  22.967 1.000 8.853  0 70  ASN   A C   1 
ATOM   634  O  O   . ASN   A 1 70  ? 43.434 15.318  22.220 1.000 8.517  0 70  ASN   A O   1 
ATOM   635  C  CB  . ASN   A 1 70  ? 42.499 12.401  23.363 1.000 8.730  0 70  ASN   A CB  1 
ATOM   636  C  CG  . ASN   A 1 70  ? 43.363 11.285  23.897 1.000 9.174  0 70  ASN   A CG  1 
ATOM   637  O  OD1 . ASN   A 1 70  ? 44.358 11.519  24.607 1.000 11.771 0 70  ASN   A OD1 1 
ATOM   638  N  ND2 . ASN   A 1 70  ? 43.010 10.067  23.554 1.000 8.814  0 70  ASN   A ND2 1 
ATOM   639  N  N   . GLN   A 1 71  ? 41.310 15.389  22.930 1.000 9.282  0 71  GLN   A N   1 
ATOM   640  C  CA  . GLN   A 1 71  ? 40.994 16.478  21.986 1.000 8.864  0 71  GLN   A CA  1 
ATOM   641  C  C   . GLN   A 1 71  ? 41.840 17.722  22.259 1.000 8.772  0 71  GLN   A C   1 
ATOM   642  O  O   . GLN   A 1 71  ? 42.220 18.453  21.351 1.000 10.608 0 71  GLN   A O   1 
ATOM   643  C  CB  . GLN   A 1 71  ? 39.522 16.878  22.061 1.000 11.105 0 71  GLN   A CB  1 
ATOM   644  C  CG  . GLN   A 1 71  ? 38.611 15.809  21.507 1.000 13.609 0 71  GLN   A CG  1 
ATOM   645  C  CD  . GLN   A 1 71  ? 37.167 16.154  21.773 1.000 19.940 0 71  GLN   A CD  1 
ATOM   646  O  OE1 . GLN   A 1 71  ? 36.788 16.508  22.903 1.000 25.661 0 71  GLN   A OE1 1 
ATOM   647  N  NE2 . GLN   A 1 71  ? 36.354 16.082  20.732 1.000 27.568 0 71  GLN   A NE2 1 
ATOM   648  N  N   . ARG   A 1 72  ? 42.173 17.929  23.525 1.000 8.062  0 72  ARG   A N   1 
ATOM   649  C  CA  . ARG   A 1 72  ? 42.981 19.063  23.967 1.000 8.087  0 72  ARG   A CA  1 
ATOM   650  C  C   . ARG   A 1 72  ? 44.475 18.796  23.890 1.000 9.829  0 72  ARG   A C   1 
ATOM   651  O  O   . ARG   A 1 72  ? 45.261 19.717  24.071 1.000 10.708 0 72  ARG   A O   1 
ATOM   652  C  CB  . ARG   A 1 72  ? 42.654 19.524  25.392 1.000 8.038  0 72  ARG   A CB  1 
ATOM   653  C  CG  . ARG   A 1 72  ? 41.247 20.085  25.529 1.000 8.070  0 72  ARG   A CG  1 
ATOM   654  C  CD  . ARG   A 1 72  ? 40.999 21.330  24.696 1.000 8.010  0 72  ARG   A CD  1 
ATOM   655  N  NE  . ARG   A 1 72  ? 41.934 22.423  25.023 1.000 7.957  0 72  ARG   A NE  1 
ATOM   656  C  CZ  . ARG   A 1 72  ? 41.758 23.362  25.942 1.000 8.340  0 72  ARG   A CZ  1 
ATOM   657  N  NH1 . ARG   A 1 72  ? 40.779 23.252  26.828 1.000 8.199  0 72  ARG   A NH1 1 
ATOM   658  N  NH2 . ARG   A 1 72  ? 42.618 24.371  26.030 1.000 8.013  0 72  ARG   A NH2 1 
ATOM   659  N  N   . GLY   A 1 73  ? 44.882 17.558  23.662 1.000 10.702 0 73  GLY   A N   1 
ATOM   660  C  CA  . GLY   A 1 73  ? 46.310 17.285  23.592 1.000 10.339 0 73  GLY   A CA  1 
ATOM   661  C  C   . GLY   A 1 73  ? 46.967 16.929  24.908 1.000 9.559  0 73  GLY   A C   1 
ATOM   662  O  O   . GLY   A 1 73  ? 48.199 16.813  24.977 1.000 10.737 0 73  GLY   A O   1 
ATOM   663  N  N   . GLY   A 1 74  ? 46.167 16.717  25.956 1.000 10.214 0 74  GLY   A N   1 
ATOM   664  C  CA  . GLY   A 1 74  ? 46.655 16.175  27.195 1.000 10.149 0 74  GLY   A CA  1 
ATOM   665  C  C   . GLY   A 1 74  ? 46.819 14.656  27.094 1.000 10.134 0 74  GLY   A C   1 
ATOM   666  O  O   . GLY   A 1 74  ? 46.423 14.027  26.119 1.000 10.799 0 74  GLY   A O   1 
ATOM   667  N  N   . ARG   A 1 75  ? 47.362 14.092  28.163 1.000 10.006 0 75  ARG   A N   1 
ATOM   668  C  CA  . ARG   A 1 75  ? 47.669 12.667  28.192 1.000 11.228 0 75  ARG   A CA  1 
ATOM   669  C  C   . ARG   A 1 75  ? 46.915 12.007  29.328 1.000 9.925  0 75  ARG   A C   1 
ATOM   670  O  O   . ARG   A 1 75  ? 47.083 12.349  30.506 1.000 10.538 0 75  ARG   A O   1 
ATOM   671  C  CB  . ARG   A 1 75  ? 49.188 12.519  28.224 1.000 14.431 0 75  ARG   A CB  1 
ATOM   672  C  CG  . ARG   A 1 75  ? 49.679 12.864  26.803 1.000 20.708 0 75  ARG   A CG  1 
ATOM   673  C  CD  . ARG   A 1 75  ? 49.167 12.070  25.528 1.000 18.973 0 75  ARG   A CD  1 
ATOM   674  N  NE  . ARG   A 1 75  ? 49.759 12.549  24.250 1.000 25.121 0 75  ARG   A NE  1 
ATOM   675  C  CZ  . ARG   A 1 75  ? 48.992 13.221  23.412 1.000 27.087 0 75  ARG   A CZ  1 
ATOM   676  N  NH1 . ARG   A 1 75  ? 47.664 13.462  23.683 1.000 19.929 0 75  ARG   A NH1 1 
ATOM   677  N  NH2 . ARG   A 1 75  ? 49.571 13.652  22.319 1.000 33.183 0 75  ARG   A NH2 1 
ATOM   678  N  N   . ALA   A 1 76  ? 46.037 11.088  28.963 1.000 10.299 0 76  ALA   A N   1 
ATOM   679  C  CA  . ALA   A 1 76  ? 45.340 10.271  29.950 1.000 10.951 0 76  ALA   A CA  1 
ATOM   680  C  C   . ALA   A 1 76  ? 46.356 9.494   30.781 1.000 11.936 0 76  ALA   A C   1 
ATOM   681  O  O   . ALA   A 1 76  ? 47.261 8.858   30.223 1.000 13.935 0 76  ALA   A O   1 
ATOM   682  C  CB  . ALA   A 1 76  ? 44.427 9.320   29.240 1.000 10.635 0 76  ALA   A CB  1 
ATOM   683  N  N   . LEU   A 1 77  ? 46.181 9.530   32.093 1.000 10.766 0 77  LEU   A N   1 
ATOM   684  C  CA  . LEU   A 1 77  ? 46.978 8.747   33.022 1.000 11.661 0 77  LEU   A CA  1 
ATOM   685  C  C   . LEU   A 1 77  ? 45.995 8.130   34.000 1.000 12.821 0 77  LEU   A C   1 
ATOM   686  O  O   . LEU   A 1 77  ? 45.192 8.849   34.586 1.000 15.401 0 77  LEU   A O   1 
ATOM   687  C  CB  . LEU   A 1 77  ? 47.983 9.598   33.776 1.000 14.263 0 77  LEU   A CB  1 
ATOM   688  C  CG  . LEU   A 1 77  ? 49.175 10.053  32.951 1.000 20.298 0 77  LEU   A CG  1 
ATOM   689  C  CD1 . LEU   A 1 77  ? 50.020 11.010  33.806 1.000 22.562 0 77  LEU   A CD1 1 
ATOM   690  C  CD2 . LEU   A 1 77  ? 49.996 8.849   32.450 1.000 20.653 0 77  LEU   A CD2 1 
ATOM   691  N  N   . PHE   A 1 78  ? 46.077 6.825   34.150 1.000 11.475 0 78  PHE   A N   1 
ATOM   692  C  CA  . PHE   A 1 78  ? 45.150 6.103   34.989 1.000 10.751 0 78  PHE   A CA  1 
ATOM   693  C  C   . PHE   A 1 78  ? 45.853 5.705   36.280 1.000 11.550 0 78  PHE   A C   1 
ATOM   694  O  O   . PHE   A 1 78  ? 47.033 5.395   36.290 1.000 13.913 0 78  PHE   A O   1 
ATOM   695  C  CB  . PHE   A 1 78  ? 44.682 4.886   34.218 1.000 10.875 0 78  PHE   A CB  1 
ATOM   696  C  CG  . PHE   A 1 78  ? 43.867 5.239   32.995 1.000 11.486 0 78  PHE   A CG  1 
ATOM   697  C  CD1 . PHE   A 1 78  ? 42.548 5.635   33.155 1.000 12.532 0 78  PHE   A CD1 1 
ATOM   698  C  CD2 . PHE   A 1 78  ? 44.437 5.229   31.722 1.000 11.934 0 78  PHE   A CD2 1 
ATOM   699  C  CE1 . PHE   A 1 78  ? 41.790 5.953   32.036 1.000 13.660 0 78  PHE   A CE1 1 
ATOM   700  C  CE2 . PHE   A 1 78  ? 43.678 5.582   30.615 1.000 12.327 0 78  PHE   A CE2 1 
ATOM   701  C  CZ  . PHE   A 1 78  ? 42.351 5.910   30.781 1.000 12.829 0 78  PHE   A CZ  1 
ATOM   702  N  N   . GLN   A 1 79  ? 45.098 5.732   37.353 1.000 11.605 0 79  GLN   A N   1 
ATOM   703  C  CA  . GLN   A 1 79  ? 45.570 5.260   38.636 1.000 13.552 0 79  GLN   A CA  1 
ATOM   704  C  C   . GLN   A 1 79  ? 44.738 4.069   39.086 1.000 11.817 0 79  GLN   A C   1 
ATOM   705  O  O   . GLN   A 1 79  ? 43.685 3.761   38.542 1.000 12.367 0 79  GLN   A O   1 
ATOM   706  C  CB  . GLN   A 1 79  ? 45.477 6.408   39.649 1.000 16.194 0 79  GLN   A CB  1 
ATOM   707  C  CG  . GLN   A 1 79  ? 46.403 7.563   39.275 1.000 18.405 0 79  GLN   A CG  1 
ATOM   708  C  CD  . GLN   A 1 79  ? 47.869 7.207   39.096 1.000 29.459 0 79  GLN   A CD  1 
ATOM   709  O  OE1 . GLN   A 1 79  ? 48.439 6.230   39.645 1.000 26.518 0 79  GLN   A OE1 1 
ATOM   710  N  NE2 . GLN   A 1 79  ? 48.517 8.068   38.314 1.000 35.516 0 79  GLN   A NE2 1 
ATOM   711  N  N   . ASP   A 1 80  ? 45.195 3.463   40.179 1.000 11.813 0 80  ASP   A N   1 
ATOM   712  C  CA  . ASP   A 1 80  ? 44.475 2.387   40.837 1.000 13.388 0 80  ASP   A CA  1 
ATOM   713  C  C   . ASP   A 1 80  ? 43.090 2.925   41.133 1.000 14.188 0 80  ASP   A C   1 
ATOM   714  O  O   . ASP   A 1 80  ? 42.913 4.115   41.450 1.000 15.080 0 80  ASP   A O   1 
ATOM   715  C  CB  . ASP   A 1 80  ? 45.327 1.850   42.039 1.000 13.422 0 80  ASP   A CB  1 
ATOM   716  C  CG  . ASP   A 1 80  ? 46.684 1.082   41.841 1.000 13.656 0 80  ASP   A CG  1 
ATOM   717  O  OD1 . ASP   A 1 80  ? 46.896 0.642   40.751 1.000 11.223 0 80  ASP   A OD1 1 
ATOM   718  O  OD2 . ASP   A 1 80  ? 47.781 0.666   42.676 1.000 9.348  0 80  ASP   A OD2 1 
ATOM   719  N  N   . LEU   A 1 81  ? 42.066 2.057   41.019 1.000 13.123 0 81  LEU   A N   1 
ATOM   720  C  CA  A LEU   A 1 81  ? 40.684 2.396   41.340 0.420 14.130 0 81  LEU   A CA  1 
ATOM   721  C  CA  B LEU   A 1 81  ? 40.711 2.406   41.341 0.580 13.733 0 81  LEU   A CA  1 
ATOM   722  C  C   . LEU   A 1 81  ? 40.345 1.790   42.695 1.000 13.997 0 81  LEU   A C   1 
ATOM   723  O  O   . LEU   A 1 81  ? 40.304 0.563   42.791 1.000 16.212 0 81  LEU   A O   1 
ATOM   724  C  CB  A LEU   A 1 81  ? 39.617 1.901   40.356 0.420 16.586 0 81  LEU   A CB  1 
ATOM   725  C  CB  B LEU   A 1 81  ? 39.912 1.867   40.155 0.580 16.079 0 81  LEU   A CB  1 
ATOM   726  C  CG  A LEU   A 1 81  ? 39.617 2.512   38.956 0.420 15.829 0 81  LEU   A CG  1 
ATOM   727  C  CG  B LEU   A 1 81  ? 38.537 2.495   39.947 0.580 14.967 0 81  LEU   A CG  1 
ATOM   728  C  CD1 A LEU   A 1 81  ? 38.556 1.886   38.101 0.420 17.445 0 81  LEU   A CD1 1 
ATOM   729  C  CD1 B LEU   A 1 81  ? 38.728 3.915   39.441 0.580 16.207 0 81  LEU   A CD1 1 
ATOM   730  C  CD2 A LEU   A 1 81  ? 39.423 4.000   39.052 0.420 15.845 0 81  LEU   A CD2 1 
ATOM   731  C  CD2 B LEU   A 1 81  ? 37.688 1.689   38.964 0.580 14.431 0 81  LEU   A CD2 1 
ATOM   732  N  N   . GLN   A 1 82  ? 40.114 2.643   43.723 1.000 12.145 0 82  GLN   A N   1 
ATOM   733  C  CA  . GLN   A 1 82  ? 39.762 2.183   45.058 1.000 13.278 0 82  GLN   A CA  1 
ATOM   734  C  C   . GLN   A 1 82  ? 38.427 1.438   44.973 1.000 13.006 0 82  GLN   A C   1 
ATOM   735  O  O   . GLN   A 1 82  ? 37.470 1.928   44.355 1.000 14.563 0 82  GLN   A O   1 
ATOM   736  C  CB  . GLN   A 1 82  ? 39.684 3.313   46.107 1.000 15.281 0 82  GLN   A CB  1 
ATOM   737  N  N   . LYS   A 1 83  ? 38.363 0.344   45.729 1.000 14.719 0 83  LYS   A N   1 
ATOM   738  C  CA  . LYS   A 1 83  ? 37.089 -0.359  45.872 1.000 13.401 0 83  LYS   A CA  1 
ATOM   739  C  C   . LYS   A 1 83  ? 36.080 0.588   46.527 1.000 11.588 0 83  LYS   A C   1 
ATOM   740  O  O   . LYS   A 1 83  ? 36.416 1.446   47.331 1.000 11.882 0 83  LYS   A O   1 
ATOM   741  C  CB  . LYS   A 1 83  ? 37.185 -1.619  46.725 1.000 13.440 0 83  LYS   A CB  1 
ATOM   742  C  CG  . LYS   A 1 83  ? 37.606 -1.476  48.146 1.000 15.723 0 83  LYS   A CG  1 
ATOM   743  C  CD  . LYS   A 1 83  ? 37.726 -2.859  48.778 1.000 18.827 0 83  LYS   A CD  1 
ATOM   744  C  CE  . LYS   A 1 83  ? 37.774 -2.792  50.274 1.000 21.278 0 83  LYS   A CE  1 
ATOM   745  N  NZ  . LYS   A 1 83  ? 37.923 -4.127  50.893 1.000 24.713 0 83  LYS   A NZ  1 
ATOM   746  N  N   . PRO   A 1 84  ? 34.780 0.273   46.382 1.000 9.899  0 84  PRO   A N   1 
ATOM   747  C  CA  . PRO   A 1 84  ? 33.761 1.056   47.082 1.000 11.148 0 84  PRO   A CA  1 
ATOM   748  C  C   . PRO   A 1 84  ? 33.873 0.981   48.585 1.000 11.632 0 84  PRO   A C   1 
ATOM   749  O  O   . PRO   A 1 84  ? 34.471 0.062   49.154 1.000 12.092 0 84  PRO   A O   1 
ATOM   750  C  CB  . PRO   A 1 84  ? 32.440 0.424   46.564 1.000 9.649  0 84  PRO   A CB  1 
ATOM   751  C  CG  . PRO   A 1 84  ? 32.823 -0.226  45.264 1.000 10.231 0 84  PRO   A CG  1 
ATOM   752  C  CD  . PRO   A 1 84  ? 34.217 -0.822  45.565 1.000 9.863  0 84  PRO   A CD  1 
ATOM   753  N  N   . SER   A 1 85  ? 33.252 1.962   49.240 1.000 11.733 0 85  SER   A N   1 
ATOM   754  C  CA  . SER   A 1 85  ? 33.427 2.211   50.662 1.000 13.742 0 85  SER   A CA  1 
ATOM   755  C  C   . SER   A 1 85  ? 32.760 1.152   51.533 1.000 13.343 0 85  SER   A C   1 
ATOM   756  O  O   . SER   A 1 85  ? 33.115 1.022   52.684 1.000 13.539 0 85  SER   A O   1 
ATOM   757  C  CB  . SER   A 1 85  ? 32.980 3.627   51.056 1.000 15.578 0 85  SER   A CB  1 
ATOM   758  O  OG  . SER   A 1 85  ? 31.580 3.835   50.865 1.000 22.253 0 85  SER   A OG  1 
ATOM   759  N  N   . GLN   A 1 86  ? 31.768 0.443   50.996 1.000 11.520 0 86  GLN   A N   1 
ATOM   760  C  CA  A GLN   A 1 86  ? 31.065 -0.600  51.716 0.570 11.558 0 86  GLN   A CA  1 
ATOM   761  C  CA  B GLN   A 1 86  ? 31.039 -0.591  51.710 0.430 12.206 0 86  GLN   A CA  1 
ATOM   762  C  C   . GLN   A 1 86  ? 30.952 -1.847  50.849 1.000 11.359 0 86  GLN   A C   1 
ATOM   763  O  O   . GLN   A 1 86  ? 30.984 -1.751  49.650 1.000 9.957  0 86  GLN   A O   1 
ATOM   764  C  CB  A GLN   A 1 86  ? 29.667 -0.107  52.073 0.570 11.751 0 86  GLN   A CB  1 
ATOM   765  C  CB  B GLN   A 1 86  ? 29.613 -0.130  52.014 0.430 13.358 0 86  GLN   A CB  1 
ATOM   766  C  CG  A GLN   A 1 86  ? 29.709 1.188   52.876 0.570 12.644 0 86  GLN   A CG  1 
ATOM   767  C  CG  B GLN   A 1 86  ? 29.565 1.076   52.945 0.430 15.389 0 86  GLN   A CG  1 
ATOM   768  C  CD  A GLN   A 1 86  ? 28.340 1.771   53.102 0.570 13.863 0 86  GLN   A CD  1 
ATOM   769  C  CD  B GLN   A 1 86  ? 30.072 0.754   54.333 0.430 18.305 0 86  GLN   A CD  1 
ATOM   770  O  OE1 A GLN   A 1 86  ? 28.167 2.991   53.155 0.570 17.308 0 86  GLN   A OE1 1 
ATOM   771  O  OE1 B GLN   A 1 86  ? 30.172 -0.410  54.730 0.430 18.968 0 86  GLN   A OE1 1 
ATOM   772  N  NE2 A GLN   A 1 86  ? 27.368 0.891   53.304 0.570 13.615 0 86  GLN   A NE2 1 
ATOM   773  N  NE2 B GLN   A 1 86  ? 30.366 1.790   55.103 0.430 21.327 0 86  GLN   A NE2 1 
ATOM   774  N  N   . ASP   A 1 87  ? 30.836 -3.014  51.491 1.000 10.613 0 87  ASP   A N   1 
ATOM   775  C  CA  . ASP   A 1 87  ? 30.505 -4.258  50.815 1.000 11.182 0 87  ASP   A CA  1 
ATOM   776  C  C   . ASP   A 1 87  ? 29.007 -4.556  50.820 1.000 12.209 0 87  ASP   A C   1 
ATOM   777  O  O   . ASP   A 1 87  ? 28.559 -5.285  49.926 1.000 11.507 0 87  ASP   A O   1 
ATOM   778  C  CB  . ASP   A 1 87  ? 31.231 -5.427  51.469 1.000 11.760 0 87  ASP   A CB  1 
ATOM   779  C  CG  . ASP   A 1 87  ? 32.758 -5.311  51.390 1.000 12.379 0 87  ASP   A CG  1 
ATOM   780  O  OD1 . ASP   A 1 87  ? 33.274 -4.852  50.357 1.000 12.855 0 87  ASP   A OD1 1 
ATOM   781  O  OD2 . ASP   A 1 87  ? 33.405 -5.674  52.409 1.000 14.447 0 87  ASP   A OD2 1 
ATOM   782  N  N   . GLU   A 1 88  ? 28.309 -4.074  51.851 1.000 10.500 0 88  GLU   A N   1 
ATOM   783  C  CA  . GLU   A 1 88  ? 26.851 -4.197  51.973 1.000 12.956 0 88  GLU   A CA  1 
ATOM   784  C  C   . GLU   A 1 88  ? 26.309 -2.798  52.202 1.000 11.729 0 88  GLU   A C   1 
ATOM   785  O  O   . GLU   A 1 88  ? 26.910 -2.011  52.908 1.000 12.214 0 88  GLU   A O   1 
ATOM   786  C  CB  . GLU   A 1 88  ? 26.517 -5.061  53.197 1.000 16.069 0 88  GLU   A CB  1 
ATOM   787  C  CG  . GLU   A 1 88  ? 27.052 -6.460  52.972 1.000 21.255 0 88  GLU   A CG  1 
ATOM   788  C  CD  . GLU   A 1 88  ? 26.741 -7.447  54.084 1.000 29.502 0 88  GLU   A CD  1 
ATOM   789  O  OE1 . GLU   A 1 88  ? 27.204 -7.251  55.220 1.000 36.247 0 88  GLU   A OE1 1 
ATOM   790  O  OE2 . GLU   A 1 88  ? 26.024 -8.400  53.772 1.000 30.579 0 88  GLU   A OE2 1 
ATOM   791  N  N   . TRP   A 1 89  ? 25.133 -2.490  51.648 1.000 9.594  0 89  TRP   A N   1 
ATOM   792  C  CA  . TRP   A 1 89  ? 24.695 -1.096  51.546 1.000 9.833  0 89  TRP   A CA  1 
ATOM   793  C  C   . TRP   A 1 89  ? 23.424 -0.804  52.340 1.000 10.188 0 89  TRP   A C   1 
ATOM   794  O  O   . TRP   A 1 89  ? 22.911 0.310   52.232 1.000 11.435 0 89  TRP   A O   1 
ATOM   795  C  CB  . TRP   A 1 89  ? 24.503 -0.689  50.083 1.000 9.546  0 89  TRP   A CB  1 
ATOM   796  C  CG  . TRP   A 1 89  ? 25.795 -0.742  49.309 1.000 9.223  0 89  TRP   A CG  1 
ATOM   797  C  CD1 . TRP   A 1 89  ? 26.224 -1.760  48.527 1.000 9.465  0 89  TRP   A CD1 1 
ATOM   798  C  CD2 . TRP   A 1 89  ? 26.828 0.271   49.269 1.000 9.550  0 89  TRP   A CD2 1 
ATOM   799  N  NE1 . TRP   A 1 89  ? 27.470 -1.474  48.032 1.000 9.141  0 89  TRP   A NE1 1 
ATOM   800  C  CE2 . TRP   A 1 89  ? 27.852 -0.229  48.445 1.000 9.122  0 89  TRP   A CE2 1 
ATOM   801  C  CE3 . TRP   A 1 89  ? 26.945 1.549   49.824 1.000 9.462  0 89  TRP   A CE3 1 
ATOM   802  C  CZ2 . TRP   A 1 89  ? 28.996 0.498   48.183 1.000 9.321  0 89  TRP   A CZ2 1 
ATOM   803  C  CZ3 . TRP   A 1 89  ? 28.088 2.272   49.565 1.000 10.281 0 89  TRP   A CZ3 1 
ATOM   804  C  CH2 . TRP   A 1 89  ? 29.072 1.751   48.743 1.000 9.467  0 89  TRP   A CH2 1 
ATOM   805  N  N   . GLY   A 1 90  ? 22.977 -1.744  53.182 1.000 10.523 0 90  GLY   A N   1 
ATOM   806  C  CA  . GLY   A 1 90  ? 21.864 -1.486  54.093 1.000 9.533  0 90  GLY   A CA  1 
ATOM   807  C  C   . GLY   A 1 90  ? 20.524 -1.370  53.370 1.000 9.432  0 90  GLY   A C   1 
ATOM   808  O  O   . GLY   A 1 90  ? 20.200 -2.141  52.464 1.000 10.218 0 90  GLY   A O   1 
ATOM   809  N  N   . THR   A 1 91  ? 19.720 -0.406  53.806 1.000 8.952  0 91  THR   A N   1 
ATOM   810  C  CA  . THR   A 1 91  ? 18.404 -0.247  53.224 1.000 9.488  0 91  THR   A CA  1 
ATOM   811  C  C   . THR   A 1 91  ? 18.465 0.644   51.984 1.000 8.233  0 91  THR   A C   1 
ATOM   812  O  O   . THR   A 1 91  ? 19.512 1.231   51.650 1.000 8.896  0 91  THR   A O   1 
ATOM   813  C  CB  . THR   A 1 91  ? 17.504 0.415   54.251 1.000 10.827 0 91  THR   A CB  1 
ATOM   814  O  OG1 . THR   A 1 91  ? 17.946 1.736   54.528 1.000 10.040 0 91  THR   A OG1 1 
ATOM   815  C  CG2 . THR   A 1 91  ? 17.401 -0.356  55.558 1.000 11.186 0 91  THR   A CG2 1 
ATOM   816  N  N   . THR   A 1 92  ? 17.346 0.724   51.261 1.000 8.620  0 92  THR   A N   1 
ATOM   817  C  CA  . THR   A 1 92  ? 17.241 1.636   50.136 1.000 8.185  0 92  THR   A CA  1 
ATOM   818  C  C   . THR   A 1 92  ? 17.562 3.042   50.607 1.000 8.401  0 92  THR   A C   1 
ATOM   819  O  O   . THR   A 1 92  ? 18.291 3.760   49.937 1.000 8.871  0 92  THR   A O   1 
ATOM   820  C  CB  . THR   A 1 92  ? 15.834 1.628   49.521 1.000 9.551  0 92  THR   A CB  1 
ATOM   821  O  OG1 . THR   A 1 92  ? 15.556 0.311   49.033 1.000 9.781  0 92  THR   A OG1 1 
ATOM   822  C  CG2 . THR   A 1 92  ? 15.765 2.536   48.310 1.000 9.586  0 92  THR   A CG2 1 
ATOM   823  N  N   . LEU   A 1 93  ? 17.066 3.418   51.793 1.000 8.308  0 93  LEU   A N   1 
ATOM   824  C  CA  . LEU   A 1 93  ? 17.359 4.723   52.356 1.000 8.471  0 93  LEU   A CA  1 
ATOM   825  C  C   . LEU   A 1 93  ? 18.874 4.886   52.534 1.000 8.756  0 93  LEU   A C   1 
ATOM   826  O  O   . LEU   A 1 93  ? 19.426 5.936   52.177 1.000 9.738  0 93  LEU   A O   1 
ATOM   827  C  CB  . LEU   A 1 93  ? 16.608 4.918   53.668 1.000 9.465  0 93  LEU   A CB  1 
ATOM   828  C  CG  . LEU   A 1 93  ? 16.839 6.258   54.366 1.000 12.892 0 93  LEU   A CG  1 
ATOM   829  C  CD1 . LEU   A 1 93  ? 16.532 7.427   53.471 1.000 13.870 0 93  LEU   A CD1 1 
ATOM   830  C  CD2 . LEU   A 1 93  ? 15.998 6.293   55.637 1.000 15.959 0 93  LEU   A CD2 1 
ATOM   831  N  N   . ASP   A 1 94  ? 19.524 3.907   53.174 1.000 9.107  0 94  ASP   A N   1 
ATOM   832  C  CA  . ASP   A 1 94  ? 20.968 4.011   53.394 1.000 8.889  0 94  ASP   A CA  1 
ATOM   833  C  C   . ASP   A 1 94  ? 21.692 4.231   52.073 1.000 9.336  0 94  ASP   A C   1 
ATOM   834  O  O   . ASP   A 1 94  ? 22.630 5.030   51.966 1.000 8.254  0 94  ASP   A O   1 
ATOM   835  C  CB  . ASP   A 1 94  ? 21.514 2.755   54.059 1.000 9.825  0 94  ASP   A CB  1 
ATOM   836  C  CG  . ASP   A 1 94  ? 21.029 2.509   55.479 1.000 11.729 0 94  ASP   A CG  1 
ATOM   837  O  OD1 . ASP   A 1 94  ? 20.982 3.491   56.237 1.000 14.013 0 94  ASP   A OD1 1 
ATOM   838  O  OD2 . ASP   A 1 94  ? 20.848 1.348   55.855 1.000 11.399 0 94  ASP   A OD2 1 
ATOM   839  N  N   . ALA   A 1 95  ? 21.280 3.464   51.086 1.000 7.810  0 95  ALA   A N   1 
ATOM   840  C  CA  . ALA   A 1 95  ? 21.922 3.443   49.782 1.000 7.927  0 95  ALA   A CA  1 
ATOM   841  C  C   . ALA   A 1 95  ? 21.711 4.779   49.076 1.000 7.717  0 95  ALA   A C   1 
ATOM   842  O  O   . ALA   A 1 95  ? 22.666 5.317   48.518 1.000 8.030  0 95  ALA   A O   1 
ATOM   843  C  CB  . ALA   A 1 95  ? 21.410 2.325   48.923 1.000 8.043  0 95  ALA   A CB  1 
ATOM   844  N  N   . MET   A 1 96  ? 20.487 5.328   49.119 1.000 7.989  0 96  MET   A N   1 
ATOM   845  C  CA  . MET   A 1 96  ? 20.201 6.585   48.454 1.000 8.152  0 96  MET   A CA  1 
ATOM   846  C  C   . MET   A 1 96  ? 20.956 7.740   49.155 1.000 8.929  0 96  MET   A C   1 
ATOM   847  O  O   . MET   A 1 96  ? 21.435 8.677   48.480 1.000 9.532  0 96  MET   A O   1 
ATOM   848  C  CB  . MET   A 1 96  ? 18.690 6.858   48.405 1.000 8.812  0 96  MET   A CB  1 
ATOM   849  C  CG  . MET   A 1 96  ? 18.302 7.949   47.409 1.000 8.749  0 96  MET   A CG  1 
ATOM   850  S  SD  . MET   A 1 96  ? 18.587 7.481   45.706 1.000 11.198 0 96  MET   A SD  1 
ATOM   851  C  CE  . MET   A 1 96  ? 17.408 6.152   45.484 1.000 9.554  0 96  MET   A CE  1 
ATOM   852  N  N   . LYS   A 1 97  ? 21.085 7.691   50.494 1.000 9.016  0 97  LYS   A N   1 
ATOM   853  C  CA  . LYS   A 1 97  ? 21.912 8.653   51.236 1.000 9.684  0 97  LYS   A CA  1 
ATOM   854  C  C   . LYS   A 1 97  ? 23.382 8.575   50.788 1.000 10.289 0 97  LYS   A C   1 
ATOM   855  O  O   . LYS   A 1 97  ? 23.996 9.616   50.513 1.000 11.512 0 97  LYS   A O   1 
ATOM   856  C  CB  . LYS   A 1 97  ? 21.818 8.404   52.727 1.000 10.816 0 97  LYS   A CB  1 
ATOM   857  C  CG  . LYS   A 1 97  ? 20.530 8.916   53.356 1.000 14.153 0 97  LYS   A CG  1 
ATOM   858  C  CD  . LYS   A 1 97  ? 20.560 8.641   54.851 1.000 18.863 0 97  LYS   A CD  1 
ATOM   859  C  CE  . LYS   A 1 97  ? 19.375 9.226   55.570 1.000 25.208 0 97  LYS   A CE  1 
ATOM   860  N  NZ  . LYS   A 1 97  ? 19.171 8.565   56.877 1.000 31.303 0 97  LYS   A NZ  1 
ATOM   861  N  N   . ALA   A 1 98  ? 23.914 7.356   50.651 1.000 8.683  0 98  ALA   A N   1 
ATOM   862  C  CA  . ALA   A 1 98  ? 25.301 7.186   50.220 1.000 9.088  0 98  ALA   A CA  1 
ATOM   863  C  C   . ALA   A 1 98  ? 25.481 7.699   48.787 1.000 10.473 0 98  ALA   A C   1 
ATOM   864  O  O   . ALA   A 1 98  ? 26.480 8.361   48.518 1.000 10.126 0 98  ALA   A O   1 
ATOM   865  C  CB  . ALA   A 1 98  ? 25.727 5.744   50.336 1.000 9.715  0 98  ALA   A CB  1 
ATOM   866  N  N   . ALA   A 1 99  ? 24.457 7.513   47.936 1.000 8.846  0 99  ALA   A N   1 
ATOM   867  C  CA  . ALA   A 1 99  ? 24.498 7.975   46.551 1.000 8.928  0 99  ALA   A CA  1 
ATOM   868  C  C   . ALA   A 1 99  ? 24.509 9.499   46.484 1.000 8.976  0 99  ALA   A C   1 
ATOM   869  O  O   . ALA   A 1 99  ? 25.306 10.086  45.746 1.000 9.233  0 99  ALA   A O   1 
ATOM   870  C  CB  . ALA   A 1 99  ? 23.359 7.412   45.777 1.000 10.030 0 99  ALA   A CB  1 
ATOM   871  N  N   . ILE   A 1 100 ? 23.711 10.181  47.306 1.000 9.056  0 100 ILE   A N   1 
ATOM   872  C  CA  A ILE   A 1 100 ? 23.703 11.627  47.231 0.550 9.016  0 100 ILE   A CA  1 
ATOM   873  C  CA  B ILE   A 1 100 ? 23.688 11.630  47.317 0.450 9.440  0 100 ILE   A CA  1 
ATOM   874  C  C   . ILE   A 1 100 ? 25.031 12.183  47.789 1.000 9.415  0 100 ILE   A C   1 
ATOM   875  O  O   . ILE   A 1 100 ? 25.541 13.176  47.262 1.000 10.196 0 100 ILE   A O   1 
ATOM   876  C  CB  A ILE   A 1 100 ? 22.409 12.199  47.856 0.550 8.969  0 100 ILE   A CB  1 
ATOM   877  C  CB  B ILE   A 1 100 ? 22.543 12.115  48.220 0.450 9.815  0 100 ILE   A CB  1 
ATOM   878  C  CG1 A ILE   A 1 100 ? 22.104 13.575  47.250 0.550 9.176  0 100 ILE   A CG1 1 
ATOM   879  C  CG1 B ILE   A 1 100 ? 21.240 11.975  47.514 0.450 10.264 0 100 ILE   A CG1 1 
ATOM   880  C  CG2 A ILE   A 1 100 ? 22.474 12.244  49.381 0.550 9.005  0 100 ILE   A CG2 1 
ATOM   881  C  CG2 B ILE   A 1 100 ? 22.794 13.556  48.661 0.450 10.326 0 100 ILE   A CG2 1 
ATOM   882  C  CD1 A ILE   A 1 100 ? 20.756 14.158  47.657 0.550 9.558  0 100 ILE   A CD1 1 
ATOM   883  C  CD1 B ILE   A 1 100 ? 20.056 12.269  48.384 0.450 9.817  0 100 ILE   A CD1 1 
ATOM   884  N  N   . VAL   A 1 101 ? 25.612 11.560  48.825 1.000 10.028 0 101 VAL   A N   1 
ATOM   885  C  CA  . VAL   A 1 101 ? 26.936 11.953  49.321 1.000 10.865 0 101 VAL   A CA  1 
ATOM   886  C  C   . VAL   A 1 101 ? 27.971 11.835  48.191 1.000 10.002 0 101 VAL   A C   1 
ATOM   887  O  O   . VAL   A 1 101 ? 28.779 12.758  47.947 1.000 10.394 0 101 VAL   A O   1 
ATOM   888  C  CB  . VAL   A 1 101 ? 27.326 11.140  50.561 1.000 12.703 0 101 VAL   A CB  1 
ATOM   889  C  CG1 . VAL   A 1 101 ? 28.832 11.276  50.856 1.000 12.548 0 101 VAL   A CG1 1 
ATOM   890  C  CG2 . VAL   A 1 101 ? 26.475 11.530  51.759 1.000 14.228 0 101 VAL   A CG2 1 
ATOM   891  N  N   . LEU   A 1 102 ? 27.930 10.724  47.480 1.000 9.714  0 102 LEU   A N   1 
ATOM   892  C  CA  . LEU   A 1 102 ? 28.837 10.508  46.363 1.000 9.945  0 102 LEU   A CA  1 
ATOM   893  C  C   . LEU   A 1 102 ? 28.643 11.592  45.298 1.000 9.040  0 102 LEU   A C   1 
ATOM   894  O  O   . LEU   A 1 102 ? 29.607 12.166  44.794 1.000 10.428 0 102 LEU   A O   1 
ATOM   895  C  CB  . LEU   A 1 102 ? 28.599 9.122   45.800 1.000 11.617 0 102 LEU   A CB  1 
ATOM   896  C  CG  . LEU   A 1 102 ? 29.389 8.723   44.570 1.000 14.315 0 102 LEU   A CG  1 
ATOM   897  C  CD1 . LEU   A 1 102 ? 30.862 8.933   44.792 1.000 17.585 0 102 LEU   A CD1 1 
ATOM   898  C  CD2 . LEU   A 1 102 ? 29.089 7.284   44.226 1.000 14.694 0 102 LEU   A CD2 1 
ATOM   899  N  N   . GLU   A 1 103 ? 27.383 11.809  44.915 1.000 8.716  0 103 GLU   A N   1 
ATOM   900  C  CA  . GLU   A 1 103 ? 27.113 12.784  43.869 1.000 8.645  0 103 GLU   A CA  1 
ATOM   901  C  C   . GLU   A 1 103 ? 27.551 14.190  44.295 1.000 8.523  0 103 GLU   A C   1 
ATOM   902  O  O   . GLU   A 1 103 ? 28.066 14.915  43.427 1.000 9.215  0 103 GLU   A O   1 
ATOM   903  C  CB  . GLU   A 1 103 ? 25.643 12.769  43.470 1.000 8.417  0 103 GLU   A CB  1 
ATOM   904  C  CG  . GLU   A 1 103 ? 25.273 11.483  42.750 1.000 9.102  0 103 GLU   A CG  1 
ATOM   905  C  CD  . GLU   A 1 103 ? 26.096 11.178  41.530 1.000 10.528 0 103 GLU   A CD  1 
ATOM   906  O  OE1 . GLU   A 1 103 ? 26.505 12.113  40.767 1.000 10.918 0 103 GLU   A OE1 1 
ATOM   907  O  OE2 . GLU   A 1 103 ? 26.330 9.983   41.277 1.000 11.963 0 103 GLU   A OE2 1 
ATOM   908  N  N   . LYS   A 1 104 ? 27.326 14.580  45.546 1.000 9.562  0 104 LYS   A N   1 
ATOM   909  C  CA  A LYS   A 1 104 ? 27.761 15.882  46.049 0.480 10.770 0 104 LYS   A CA  1 
ATOM   910  C  CA  B LYS   A 1 104 ? 27.753 15.896  46.012 0.520 10.540 0 104 LYS   A CA  1 
ATOM   911  C  C   . LYS   A 1 104 ? 29.278 16.004  45.926 1.000 10.832 0 104 LYS   A C   1 
ATOM   912  O  O   . LYS   A 1 104 ? 29.797 17.061  45.552 1.000 9.536  0 104 LYS   A O   1 
ATOM   913  C  CB  A LYS   A 1 104 ? 27.380 16.130  47.508 0.480 12.511 0 104 LYS   A CB  1 
ATOM   914  C  CB  B LYS   A 1 104 ? 27.199 16.237  47.392 0.520 11.893 0 104 LYS   A CB  1 
ATOM   915  C  CG  A LYS   A 1 104 ? 25.921 16.502  47.665 0.480 14.594 0 104 LYS   A CG  1 
ATOM   916  C  CG  B LYS   A 1 104 ? 25.728 16.647  47.330 0.520 12.970 0 104 LYS   A CG  1 
ATOM   917  C  CD  A LYS   A 1 104 ? 25.464 16.282  49.100 0.480 16.553 0 104 LYS   A CD  1 
ATOM   918  C  CD  B LYS   A 1 104 ? 25.366 17.246  48.680 0.520 14.977 0 104 LYS   A CD  1 
ATOM   919  C  CE  A LYS   A 1 104 ? 24.195 16.978  49.409 0.480 18.626 0 104 LYS   A CE  1 
ATOM   920  C  CE  B LYS   A 1 104 ? 23.935 17.427  48.910 0.520 15.948 0 104 LYS   A CE  1 
ATOM   921  N  NZ  A LYS   A 1 104 ? 24.320 18.441  49.526 0.480 20.468 0 104 LYS   A NZ  1 
ATOM   922  N  NZ  B LYS   A 1 104 ? 23.685 17.263  50.354 0.520 16.231 0 104 LYS   A NZ  1 
ATOM   923  N  N   . SER   A 1 105 ? 29.985 14.904  46.196 1.000 9.886  0 105 SER   A N   1 
ATOM   924  C  CA  . SER   A 1 105 ? 31.446 14.972  46.080 1.000 10.243 0 105 SER   A CA  1 
ATOM   925  C  C   . SER   A 1 105 ? 31.875 15.127  44.617 1.000 10.408 0 105 SER   A C   1 
ATOM   926  O  O   . SER   A 1 105 ? 32.839 15.866  44.286 1.000 10.391 0 105 SER   A O   1 
ATOM   927  C  CB  . SER   A 1 105 ? 32.133 13.779  46.770 1.000 12.732 0 105 SER   A CB  1 
ATOM   928  O  OG  . SER   A 1 105 ? 31.989 12.613  45.974 1.000 15.827 0 105 SER   A OG  1 
ATOM   929  N  N   . LEU   A 1 106 ? 31.223 14.417  43.692 1.000 9.668  0 106 LEU   A N   1 
ATOM   930  C  CA  . LEU   A 1 106 ? 31.525 14.537  42.283 1.000 9.836  0 106 LEU   A CA  1 
ATOM   931  C  C   . LEU   A 1 106 ? 31.208 15.972  41.823 1.000 9.093  0 106 LEU   A C   1 
ATOM   932  O  O   . LEU   A 1 106 ? 31.966 16.574  41.089 1.000 8.527  0 106 LEU   A O   1 
ATOM   933  C  CB  . LEU   A 1 106 ? 30.751 13.539  41.428 1.000 11.637 0 106 LEU   A CB  1 
ATOM   934  C  CG  . LEU   A 1 106 ? 31.100 12.066  41.580 1.000 14.630 0 106 LEU   A CG  1 
ATOM   935  C  CD1 . LEU   A 1 106 ? 30.205 11.235  40.674 1.000 17.582 0 106 LEU   A CD1 1 
ATOM   936  C  CD2 . LEU   A 1 106 ? 32.560 11.831  41.166 1.000 17.246 0 106 LEU   A CD2 1 
ATOM   937  N  N   . ASN   A 1 107 ? 30.078 16.534  42.272 1.000 8.957  0 107 ASN   A N   1 
ATOM   938  C  CA  . ASN   A 1 107 ? 29.681 17.889  41.915 1.000 8.951  0 107 ASN   A CA  1 
ATOM   939  C  C   . ASN   A 1 107 ? 30.723 18.902  42.391 1.000 8.790  0 107 ASN   A C   1 
ATOM   940  O  O   . ASN   A 1 107 ? 31.104 19.808  41.649 1.000 7.531  0 107 ASN   A O   1 
ATOM   941  C  CB  . ASN   A 1 107 ? 28.264 18.154  42.408 1.000 10.038 0 107 ASN   A CB  1 
ATOM   942  C  CG  . ASN   A 1 107 ? 27.657 19.343  41.717 1.000 9.881  0 107 ASN   A CG  1 
ATOM   943  O  OD1 . ASN   A 1 107 ? 27.819 19.478  40.513 1.000 10.701 0 107 ASN   A OD1 1 
ATOM   944  N  ND2 . ASN   A 1 107 ? 26.890 20.111  42.442 1.000 10.186 0 107 ASN   A ND2 1 
ATOM   945  N  N   . GLN   A 1 108 ? 31.180 18.726  43.627 1.000 8.850  0 108 GLN   A N   1 
ATOM   946  C  CA  . GLN   A 1 108 ? 32.206 19.634  44.136 1.000 8.672  0 108 GLN   A CA  1 
ATOM   947  C  C   . GLN   A 1 108 ? 33.483 19.519  43.299 1.000 7.716  0 108 GLN   A C   1 
ATOM   948  O  O   . GLN   A 1 108 ? 34.112 20.539  42.997 1.000 8.466  0 108 GLN   A O   1 
ATOM   949  C  CB  . GLN   A 1 108 ? 32.468 19.419  45.605 1.000 9.934  0 108 GLN   A CB  1 
ATOM   950  C  CG  . GLN   A 1 108 ? 33.335 20.532  46.187 1.000 10.760 0 108 GLN   A CG  1 
ATOM   951  C  CD  . GLN   A 1 108 ? 32.653 21.876  46.075 1.000 11.887 0 108 GLN   A CD  1 
ATOM   952  O  OE1 . GLN   A 1 108 ? 31.515 22.035  46.539 1.000 12.914 0 108 GLN   A OE1 1 
ATOM   953  N  NE2 . GLN   A 1 108 ? 33.271 22.832  45.384 1.000 12.304 0 108 GLN   A NE2 1 
ATOM   954  N  N   . ALA   A 1 109 ? 33.830 18.307  42.857 1.000 7.113  0 109 ALA   A N   1 
ATOM   955  C  CA  . ALA   A 1 109 ? 35.014 18.161  42.004 1.000 7.865  0 109 ALA   A CA  1 
ATOM   956  C  C   . ALA   A 1 109 ? 34.829 18.854  40.649 1.000 8.677  0 109 ALA   A C   1 
ATOM   957  O  O   . ALA   A 1 109 ? 35.755 19.480  40.120 1.000 8.713  0 109 ALA   A O   1 
ATOM   958  C  CB  . ALA   A 1 109 ? 35.361 16.706  41.875 1.000 8.840  0 109 ALA   A CB  1 
ATOM   959  N  N   . LEU   A 1 110 ? 33.628 18.762  40.058 1.000 8.471  0 110 LEU   A N   1 
ATOM   960  C  CA  . LEU   A 1 110 ? 33.304 19.500  38.851 1.000 8.055  0 110 LEU   A CA  1 
ATOM   961  C  C   . LEU   A 1 110 ? 33.448 21.010  39.072 1.000 8.714  0 110 LEU   A C   1 
ATOM   962  O  O   . LEU   A 1 110 ? 33.991 21.710  38.218 1.000 8.095  0 110 LEU   A O   1 
ATOM   963  C  CB  . LEU   A 1 110 ? 31.877 19.179  38.401 1.000 8.929  0 110 LEU   A CB  1 
ATOM   964  C  CG  . LEU   A 1 110 ? 31.576 17.768  37.875 1.000 10.270 0 110 LEU   A CG  1 
ATOM   965  C  CD1 . LEU   A 1 110 ? 30.076 17.648  37.673 1.000 10.799 0 110 LEU   A CD1 1 
ATOM   966  C  CD2 . LEU   A 1 110 ? 32.307 17.531  36.559 1.000 11.059 0 110 LEU   A CD2 1 
ATOM   967  N  N   . LEU   A 1 111 ? 32.892 21.524  40.193 1.000 8.637  0 111 LEU   A N   1 
ATOM   968  C  CA  . LEU   A 1 111 ? 32.921 22.941  40.478 1.000 8.879  0 111 LEU   A CA  1 
ATOM   969  C  C   . LEU   A 1 111 ? 34.378 23.376  40.652 1.000 8.513  0 111 LEU   A C   1 
ATOM   970  O  O   . LEU   A 1 111 ? 34.755 24.471  40.208 1.000 9.084  0 111 LEU   A O   1 
ATOM   971  C  CB  . LEU   A 1 111 ? 32.044 23.226  41.718 1.000 9.259  0 111 LEU   A CB  1 
ATOM   972  C  CG  . LEU   A 1 111 ? 30.538 23.006  41.486 1.000 10.076 0 111 LEU   A CG  1 
ATOM   973  C  CD1 . LEU   A 1 111 ? 29.816 23.196  42.787 1.000 10.400 0 111 LEU   A CD1 1 
ATOM   974  C  CD2 . LEU   A 1 111 ? 30.008 23.974  40.425 1.000 11.175 0 111 LEU   A CD2 1 
ATOM   975  N  N   . ASP   A 1 112 ? 35.168 22.572  41.347 1.000 8.443  0 112 ASP   A N   1 
ATOM   976  C  CA  . ASP   A 1 112 ? 36.565 22.899  41.565 1.000 9.204  0 112 ASP   A CA  1 
ATOM   977  C  C   . ASP   A 1 112 ? 37.310 22.972  40.240 1.000 10.046 0 112 ASP   A C   1 
ATOM   978  O  O   . ASP   A 1 112 ? 38.112 23.899  40.047 1.000 9.869  0 112 ASP   A O   1 
ATOM   979  C  CB  . ASP   A 1 112 ? 37.207 21.901  42.502 1.000 10.448 0 112 ASP   A CB  1 
ATOM   980  C  CG  . ASP   A 1 112 ? 36.736 21.942  43.938 1.000 11.321 0 112 ASP   A CG  1 
ATOM   981  O  OD1 . ASP   A 1 112 ? 36.060 22.906  44.326 1.000 11.400 0 112 ASP   A OD1 1 
ATOM   982  O  OD2 . ASP   A 1 112 ? 37.015 20.960  44.637 1.000 14.191 0 112 ASP   A OD2 1 
ATOM   983  N  N   . LEU   A 1 113 ? 37.047 22.010  39.353 1.000 9.212  0 113 LEU   A N   1 
ATOM   984  C  CA  . LEU   A 1 113 ? 37.718 22.002  38.055 1.000 9.495  0 113 LEU   A CA  1 
ATOM   985  C  C   . LEU   A 1 113 ? 37.254 23.198  37.235 1.000 9.359  0 113 LEU   A C   1 
ATOM   986  O  O   . LEU   A 1 113 ? 38.055 23.809  36.537 1.000 9.134  0 113 LEU   A O   1 
ATOM   987  C  CB  . LEU   A 1 113 ? 37.490 20.693  37.322 1.000 9.735  0 113 LEU   A CB  1 
ATOM   988  C  CG  . LEU   A 1 113 ? 38.118 20.578  35.940 1.000 10.767 0 113 LEU   A CG  1 
ATOM   989  C  CD1 . LEU   A 1 113 ? 39.621 20.802  35.953 1.000 11.630 0 113 LEU   A CD1 1 
ATOM   990  C  CD2 . LEU   A 1 113 ? 37.772 19.228  35.355 1.000 12.092 0 113 LEU   A CD2 1 
ATOM   991  N  N   . HIS   A 1 114 ? 35.957 23.552  37.311 1.000 8.390  0 114 HIS   A N   1 
ATOM   992  C  CA  . HIS   A 1 114 ? 35.466 24.721  36.595 1.000 8.805  0 114 HIS   A CA  1 
ATOM   993  C  C   . HIS   A 1 114 ? 36.203 25.965  37.093 1.000 9.809  0 114 HIS   A C   1 
ATOM   994  O  O   . HIS   A 1 114 ? 36.591 26.814  36.297 1.000 10.381 0 114 HIS   A O   1 
ATOM   995  C  CB  . HIS   A 1 114 ? 33.943 24.846  36.702 1.000 9.191  0 114 HIS   A CB  1 
ATOM   996  C  CG  . HIS   A 1 114 ? 33.361 25.891  35.805 1.000 8.866  0 114 HIS   A CG  1 
ATOM   997  N  ND1 . HIS   A 1 114 ? 33.473 27.240  36.065 1.000 10.880 0 114 HIS   A ND1 1 
ATOM   998  C  CD2 . HIS   A 1 114 ? 32.745 25.789  34.638 1.000 9.485  0 114 HIS   A CD2 1 
ATOM   999  C  CE1 . HIS   A 1 114 ? 32.880 27.899  35.063 1.000 9.053  0 114 HIS   A CE1 1 
ATOM   1000 N  NE2 . HIS   A 1 114 ? 32.452 27.065  34.161 1.000 9.925  0 114 HIS   A NE2 1 
ATOM   1001 N  N   . ALA   A 1 115 ? 36.332 26.109  38.410 1.000 10.028 0 115 ALA   A N   1 
ATOM   1002 C  CA  . ALA   A 1 115 ? 37.008 27.266  38.979 1.000 10.011 0 115 ALA   A CA  1 
ATOM   1003 C  C   . ALA   A 1 115 ? 38.469 27.313  38.528 1.000 10.197 0 115 ALA   A C   1 
ATOM   1004 O  O   . ALA   A 1 115 ? 38.982 28.405  38.258 1.000 11.050 0 115 ALA   A O   1 
ATOM   1005 C  CB  . ALA   A 1 115 ? 36.862 27.238  40.498 1.000 11.230 0 115 ALA   A CB  1 
ATOM   1006 N  N   . LEU   A 1 116 ? 39.136 26.153  38.457 1.000 9.950  0 116 LEU   A N   1 
ATOM   1007 C  CA  . LEU   A 1 116 ? 40.512 26.127  37.952 1.000 10.503 0 116 LEU   A CA  1 
ATOM   1008 C  C   . LEU   A 1 116 ? 40.550 26.586  36.503 1.000 11.144 0 116 LEU   A C   1 
ATOM   1009 O  O   . LEU   A 1 116 ? 41.388 27.402  36.100 1.000 10.858 0 116 LEU   A O   1 
ATOM   1010 C  CB  . LEU   A 1 116 ? 41.056 24.712  38.123 1.000 10.474 0 116 LEU   A CB  1 
ATOM   1011 C  CG  . LEU   A 1 116 ? 42.468 24.506  37.572 1.000 11.924 0 116 LEU   A CG  1 
ATOM   1012 C  CD1 . LEU   A 1 116 ? 43.562 25.342  38.219 1.000 12.995 0 116 LEU   A CD1 1 
ATOM   1013 C  CD2 . LEU   A 1 116 ? 42.812 23.063  37.719 1.000 12.852 0 116 LEU   A CD2 1 
ATOM   1014 N  N   . GLY   A 1 117 ? 39.634 26.070  35.684 1.000 10.729 0 117 GLY   A N   1 
ATOM   1015 C  CA  . GLY   A 1 117 ? 39.592 26.490  34.284 1.000 11.204 0 117 GLY   A CA  1 
ATOM   1016 C  C   . GLY   A 1 117 ? 39.369 27.992  34.139 1.000 11.660 0 117 GLY   A C   1 
ATOM   1017 O  O   . GLY   A 1 117 ? 39.953 28.648  33.283 1.000 11.080 0 117 GLY   A O   1 
ATOM   1018 N  N   . SER   A 1 118 ? 38.472 28.547  34.952 1.000 11.142 0 118 SER   A N   1 
ATOM   1019 C  CA  A SER   A 1 118 ? 38.193 29.972  34.971 0.450 12.006 0 118 SER   A CA  1 
ATOM   1020 C  CA  B SER   A 1 118 ? 38.209 29.971  34.907 0.550 12.058 0 118 SER   A CA  1 
ATOM   1021 C  C   . SER   A 1 118 ? 39.474 30.745  35.297 1.000 12.069 0 118 SER   A C   1 
ATOM   1022 O  O   . SER   A 1 118 ? 39.816 31.716  34.619 1.000 13.407 0 118 SER   A O   1 
ATOM   1023 C  CB  A SER   A 1 118 ? 37.126 30.306  35.992 0.450 13.182 0 118 SER   A CB  1 
ATOM   1024 C  CB  B SER   A 1 118 ? 37.058 30.348  35.779 0.550 13.709 0 118 SER   A CB  1 
ATOM   1025 O  OG  A SER   A 1 118 ? 35.887 29.652  35.740 0.450 14.544 0 118 SER   A OG  1 
ATOM   1026 O  OG  B SER   A 1 118 ? 36.755 31.732  35.644 0.550 15.037 0 118 SER   A OG  1 
ATOM   1027 N  N   . ALA   A 1 119 ? 40.128 30.350  36.367 1.000 11.600 0 119 ALA   A N   1 
ATOM   1028 C  CA  . ALA   A 1 119 ? 41.377 31.001  36.803 1.000 13.553 0 119 ALA   A CA  1 
ATOM   1029 C  C   . ALA   A 1 119 ? 42.438 30.959  35.701 1.000 15.128 0 119 ALA   A C   1 
ATOM   1030 O  O   . ALA   A 1 119 ? 43.218 31.908  35.584 1.000 16.910 0 119 ALA   A O   1 
ATOM   1031 C  CB  . ALA   A 1 119 ? 41.914 30.415  38.061 1.000 14.330 0 119 ALA   A CB  1 
ATOM   1032 N  N   . GLN   A 1 120 ? 42.516 29.831  34.976 1.000 11.893 0 120 GLN   A N   1 
ATOM   1033 C  CA  . GLN   A 1 120 ? 43.483 29.620  33.900 1.000 12.413 0 120 GLN   A CA  1 
ATOM   1034 C  C   . GLN   A 1 120 ? 43.040 30.212  32.560 1.000 11.340 0 120 GLN   A C   1 
ATOM   1035 O  O   . GLN   A 1 120 ? 43.755 29.996  31.564 1.000 12.761 0 120 GLN   A O   1 
ATOM   1036 C  CB  . GLN   A 1 120 ? 43.759 28.138  33.746 1.000 13.261 0 120 GLN   A CB  1 
ATOM   1037 C  CG  . GLN   A 1 120 ? 44.495 27.473  34.919 1.000 16.729 0 120 GLN   A CG  1 
ATOM   1038 C  CD  . GLN   A 1 120 ? 45.985 27.581  34.862 1.000 24.003 0 120 GLN   A CD  1 
ATOM   1039 O  OE1 . GLN   A 1 120 ? 46.585 27.985  33.856 1.000 26.484 0 120 GLN   A OE1 1 
ATOM   1040 N  NE2 . GLN   A 1 120 ? 46.578 27.255  35.988 1.000 26.006 0 120 GLN   A NE2 1 
ATOM   1041 N  N   . ALA   A 1 121 ? 41.889 30.858  32.493 1.000 10.458 0 121 ALA   A N   1 
ATOM   1042 C  CA  . ALA   A 1 121 ? 41.329 31.407  31.273 1.000 10.648 0 121 ALA   A CA  1 
ATOM   1043 C  C   . ALA   A 1 121 ? 41.278 30.309  30.219 1.000 9.952  0 121 ALA   A C   1 
ATOM   1044 O  O   . ALA   A 1 121 ? 41.712 30.486  29.083 1.000 9.363  0 121 ALA   A O   1 
ATOM   1045 C  CB  . ALA   A 1 121 ? 42.130 32.636  30.801 1.000 12.194 0 121 ALA   A CB  1 
ATOM   1046 N  N   . ASP   A 1 122 ? 40.604 29.200  30.586 1.000 9.624  0 122 ASP   A N   1 
ATOM   1047 C  CA  . ASP   A 1 122 ? 40.412 28.064  29.705 1.000 7.958  0 122 ASP   A CA  1 
ATOM   1048 C  C   . ASP   A 1 122 ? 38.918 27.906  29.408 1.000 8.178  0 122 ASP   A C   1 
ATOM   1049 O  O   . ASP   A 1 122 ? 38.223 27.094  30.029 1.000 8.541  0 122 ASP   A O   1 
ATOM   1050 C  CB  . ASP   A 1 122 ? 40.943 26.792  30.333 1.000 8.611  0 122 ASP   A CB  1 
ATOM   1051 C  CG  . ASP   A 1 122 ? 41.059 25.613  29.399 1.000 8.746  0 122 ASP   A CG  1 
ATOM   1052 O  OD1 . ASP   A 1 122 ? 40.348 25.626  28.374 1.000 8.980  0 122 ASP   A OD1 1 
ATOM   1053 O  OD2 . ASP   A 1 122 ? 41.818 24.680  29.716 1.000 9.102  0 122 ASP   A OD2 1 
ATOM   1054 N  N   . PRO   A 1 123 ? 38.365 28.674  28.461 1.000 7.972  0 123 PRO   A N   1 
ATOM   1055 C  CA  . PRO   A 1 123 ? 36.920 28.664  28.259 1.000 8.403  0 123 PRO   A CA  1 
ATOM   1056 C  C   . PRO   A 1 123 ? 36.407 27.374  27.645 1.000 8.254  0 123 PRO   A C   1 
ATOM   1057 O  O   . PRO   A 1 123 ? 35.243 27.026  27.840 1.000 8.992  0 123 PRO   A O   1 
ATOM   1058 C  CB  . PRO   A 1 123 ? 36.661 29.877  27.345 1.000 8.799  0 123 PRO   A CB  1 
ATOM   1059 C  CG  . PRO   A 1 123 ? 37.985 30.087  26.636 1.000 9.011  0 123 PRO   A CG  1 
ATOM   1060 C  CD  . PRO   A 1 123 ? 39.022 29.768  27.711 1.000 9.005  0 123 PRO   A CD  1 
ATOM   1061 N  N   . HIS   A 1 124 ? 37.237 26.711  26.835 1.000 8.275  0 124 HIS   A N   1 
ATOM   1062 C  CA  . HIS   A 1 124 ? 36.794 25.449  26.294 1.000 8.433  0 124 HIS   A CA  1 
ATOM   1063 C  C   . HIS   A 1 124 ? 36.493 24.462  27.434 1.000 8.933  0 124 HIS   A C   1 
ATOM   1064 O  O   . HIS   A 1 124 ? 35.436 23.792  27.386 1.000 8.938  0 124 HIS   A O   1 
ATOM   1065 C  CB  . HIS   A 1 124 ? 37.809 24.882  25.304 1.000 8.136  0 124 HIS   A CB  1 
ATOM   1066 C  CG  . HIS   A 1 124 ? 37.288 23.631  24.718 1.000 9.137  0 124 HIS   A CG  1 
ATOM   1067 N  ND1 . HIS   A 1 124 ? 37.428 22.395  25.329 1.000 9.524  0 124 HIS   A ND1 1 
ATOM   1068 C  CD2 . HIS   A 1 124 ? 36.620 23.415  23.564 1.000 10.010 0 124 HIS   A CD2 1 
ATOM   1069 C  CE1 . HIS   A 1 124 ? 36.850 21.479  24.514 1.000 8.835  0 124 HIS   A CE1 1 
ATOM   1070 N  NE2 . HIS   A 1 124 ? 36.356 22.067  23.438 1.000 10.135 0 124 HIS   A NE2 1 
ATOM   1071 N  N   A LEU   A 1 125 ? 37.391 24.352  28.414 0.460 8.758  0 125 LEU   A N   1 
ATOM   1072 N  N   B LEU   A 1 125 ? 37.403 24.355  28.415 0.540 8.917  0 125 LEU   A N   1 
ATOM   1073 C  CA  A LEU   A 1 125 ? 37.164 23.456  29.542 0.460 9.087  0 125 LEU   A CA  1 
ATOM   1074 C  CA  B LEU   A 1 125 ? 37.216 23.481  29.576 0.540 9.466  0 125 LEU   A CA  1 
ATOM   1075 C  C   A LEU   A 1 125 ? 35.912 23.871  30.313 0.460 9.136  0 125 LEU   A C   1 
ATOM   1076 C  C   B LEU   A 1 125 ? 35.942 23.872  30.328 0.540 9.268  0 125 LEU   A C   1 
ATOM   1077 O  O   A LEU   A 1 125 ? 35.088 23.025  30.655 0.460 8.514  0 125 LEU   A O   1 
ATOM   1078 O  O   B LEU   A 1 125 ? 35.128 23.013  30.658 0.540 8.499  0 125 LEU   A O   1 
ATOM   1079 C  CB  A LEU   A 1 125 ? 38.374 23.418  30.467 0.460 9.288  0 125 LEU   A CB  1 
ATOM   1080 C  CB  B LEU   A 1 125 ? 38.446 23.508  30.490 0.540 10.170 0 125 LEU   A CB  1 
ATOM   1081 C  CG  A LEU   A 1 125 ? 38.230 22.579  31.733 0.460 9.201  0 125 LEU   A CG  1 
ATOM   1082 C  CG  B LEU   A 1 125 ? 38.473 22.626  31.746 0.540 10.332 0 125 LEU   A CG  1 
ATOM   1083 C  CD1 A LEU   A 1 125 ? 38.542 21.141  31.451 0.460 8.797  0 125 LEU   A CD1 1 
ATOM   1084 C  CD1 B LEU   A 1 125 ? 37.691 23.236  32.904 0.540 9.868  0 125 LEU   A CD1 1 
ATOM   1085 C  CD2 A LEU   A 1 125 ? 39.164 23.126  32.776 0.460 8.947  0 125 LEU   A CD2 1 
ATOM   1086 C  CD2 B LEU   A 1 125 ? 38.016 21.218  31.445 0.540 10.414 0 125 LEU   A CD2 1 
ATOM   1087 N  N   . CYS   A 1 126 ? 35.769 25.178  30.575 1.000 9.852  0 126 CYS   A N   1 
ATOM   1088 C  CA  . CYS   A 1 126 ? 34.615 25.682  31.319 1.000 10.155 0 126 CYS   A CA  1 
ATOM   1089 C  C   . CYS   A 1 126 ? 33.333 25.338  30.596 1.000 10.952 0 126 CYS   A C   1 
ATOM   1090 O  O   . CYS   A 1 126 ? 32.412 24.803  31.236 1.000 11.492 0 126 CYS   A O   1 
ATOM   1091 C  CB  . CYS   A 1 126 ? 34.749 27.181  31.599 1.000 11.799 0 126 CYS   A CB  1 
ATOM   1092 S  SG  . CYS   A 1 126 ? 36.053 27.550  32.793 1.000 12.764 0 126 CYS   A SG  1 
ATOM   1093 N  N   . ASP   A 1 127 ? 33.280 25.570  29.279 1.000 11.296 0 127 ASP   A N   1 
ATOM   1094 C  CA  A ASP   A 1 127 ? 32.122 25.258  28.451 0.550 11.171 0 127 ASP   A CA  1 
ATOM   1095 C  CA  B ASP   A 1 127 ? 32.052 25.271  28.586 0.450 11.626 0 127 ASP   A CA  1 
ATOM   1096 C  C   . ASP   A 1 127 ? 31.834 23.766  28.465 1.000 10.569 0 127 ASP   A C   1 
ATOM   1097 O  O   . ASP   A 1 127 ? 30.676 23.329  28.531 1.000 10.809 0 127 ASP   A O   1 
ATOM   1098 C  CB  A ASP   A 1 127 ? 32.296 25.635  26.987 0.550 11.798 0 127 ASP   A CB  1 
ATOM   1099 C  CB  B ASP   A 1 127 ? 31.886 26.054  27.308 0.450 12.309 0 127 ASP   A CB  1 
ATOM   1100 C  CG  A ASP   A 1 127 ? 31.217 25.143  26.025 0.550 11.877 0 127 ASP   A CG  1 
ATOM   1101 C  CG  B ASP   A 1 127 ? 30.486 25.957  26.732 0.450 14.506 0 127 ASP   A CG  1 
ATOM   1102 O  OD1 A ASP   A 1 127 ? 30.095 25.696  26.068 0.550 16.025 0 127 ASP   A OD1 1 
ATOM   1103 O  OD1 B ASP   A 1 127 ? 29.503 26.330  27.471 0.450 15.596 0 127 ASP   A OD1 1 
ATOM   1104 O  OD2 A ASP   A 1 127 ? 31.464 24.176  25.273 0.550 13.700 0 127 ASP   A OD2 1 
ATOM   1105 O  OD2 B ASP   A 1 127 ? 30.410 25.499  25.558 0.450 15.750 0 127 ASP   A OD2 1 
ATOM   1106 N  N   . PHE   A 1 128 ? 32.898 22.974  28.369 1.000 9.793  0 128 PHE   A N   1 
ATOM   1107 C  CA  . PHE   A 1 128 ? 32.749 21.526  28.333 1.000 9.440  0 128 PHE   A CA  1 
ATOM   1108 C  C   . PHE   A 1 128 ? 32.029 21.038  29.594 1.000 10.228 0 128 PHE   A C   1 
ATOM   1109 O  O   . PHE   A 1 128 ? 31.109 20.225  29.529 1.000 9.788  0 128 PHE   A O   1 
ATOM   1110 C  CB  . PHE   A 1 128 ? 34.156 20.951  28.150 1.000 9.995  0 128 PHE   A CB  1 
ATOM   1111 C  CG  . PHE   A 1 128 ? 34.177 19.447  28.311 1.000 11.649 0 128 PHE   A CG  1 
ATOM   1112 C  CD1 . PHE   A 1 128 ? 33.863 18.616  27.248 1.000 12.528 0 128 PHE   A CD1 1 
ATOM   1113 C  CD2 . PHE   A 1 128 ? 34.433 18.886  29.537 1.000 12.798 0 128 PHE   A CD2 1 
ATOM   1114 C  CE1 . PHE   A 1 128 ? 33.828 17.238  27.431 1.000 13.156 0 128 PHE   A CE1 1 
ATOM   1115 C  CE2 . PHE   A 1 128 ? 34.485 17.518  29.675 1.000 13.138 0 128 PHE   A CE2 1 
ATOM   1116 C  CZ  . PHE   A 1 128 ? 34.178 16.718  28.622 1.000 13.098 0 128 PHE   A CZ  1 
ATOM   1117 N  N   . LEU   A 1 129 ? 32.442 21.525  30.752 1.000 9.596  0 129 LEU   A N   1 
ATOM   1118 C  CA  . LEU   A 1 129 ? 31.823 21.106  31.994 1.000 9.647  0 129 LEU   A CA  1 
ATOM   1119 C  C   . LEU   A 1 129 ? 30.386 21.581  32.089 1.000 10.811 0 129 LEU   A C   1 
ATOM   1120 O  O   . LEU   A 1 129 ? 29.513 20.839  32.526 1.000 10.895 0 129 LEU   A O   1 
ATOM   1121 C  CB  . LEU   A 1 129 ? 32.664 21.618  33.156 1.000 10.321 0 129 LEU   A CB  1 
ATOM   1122 C  CG  . LEU   A 1 129 ? 34.046 21.003  33.299 1.000 11.359 0 129 LEU   A CG  1 
ATOM   1123 C  CD1 . LEU   A 1 129 ? 34.767 21.656  34.497 1.000 11.805 0 129 LEU   A CD1 1 
ATOM   1124 C  CD2 . LEU   A 1 129 ? 33.969 19.511  33.501 1.000 12.082 0 129 LEU   A CD2 1 
ATOM   1125 N  N   . GLU   A 1 130 ? 30.175 22.826  31.723 1.000 11.699 0 130 GLU   A N   1 
ATOM   1126 C  CA  . GLU   A 1 130 ? 28.842 23.409  31.751 1.000 14.270 0 130 GLU   A CA  1 
ATOM   1127 C  C   . GLU   A 1 130 ? 27.879 22.650  30.870 1.000 14.284 0 130 GLU   A C   1 
ATOM   1128 O  O   . GLU   A 1 130 ? 26.733 22.420  31.311 1.000 17.271 0 130 GLU   A O   1 
ATOM   1129 C  CB  . GLU   A 1 130 ? 28.924 24.873  31.304 1.000 15.255 0 130 GLU   A CB  1 
ATOM   1130 C  CG  . GLU   A 1 130 ? 29.613 25.765  32.319 1.000 16.125 0 130 GLU   A CG  1 
ATOM   1131 C  CD  . GLU   A 1 130 ? 30.019 27.091  31.687 1.000 21.391 0 130 GLU   A CD  1 
ATOM   1132 O  OE1 . GLU   A 1 130 ? 29.541 27.416  30.542 1.000 23.058 0 130 GLU   A OE1 1 
ATOM   1133 O  OE2 . GLU   A 1 130 ? 30.850 27.773  32.297 1.000 18.044 0 130 GLU   A OE2 1 
ATOM   1134 N  N   . SER   A 1 131 ? 28.314 22.298  29.661 1.000 14.644 0 131 SER   A N   1 
ATOM   1135 C  CA  . SER   A 1 131 ? 27.491 21.699  28.623 1.000 15.195 0 131 SER   A CA  1 
ATOM   1136 C  C   . SER   A 1 131 ? 27.208 20.223  28.853 1.000 14.811 0 131 SER   A C   1 
ATOM   1137 O  O   . SER   A 1 131 ? 26.117 19.744  28.493 1.000 16.719 0 131 SER   A O   1 
ATOM   1138 C  CB  . SER   A 1 131 ? 28.140 21.905  27.248 1.000 19.299 0 131 SER   A CB  1 
ATOM   1139 O  OG  . SER   A 1 131 ? 28.123 23.319  26.998 1.000 25.600 0 131 SER   A OG  1 
ATOM   1140 N  N   . HIS   A 1 132 ? 28.171 19.484  29.429 1.000 13.537 0 132 HIS   A N   1 
ATOM   1141 C  CA  . HIS   A 1 132 ? 28.011 18.039  29.527 1.000 14.492 0 132 HIS   A CA  1 
ATOM   1142 C  C   . HIS   A 1 132 ? 27.900 17.504  30.958 1.000 14.148 0 132 HIS   A C   1 
ATOM   1143 O  O   . HIS   A 1 132 ? 27.571 16.322  31.103 1.000 16.983 0 132 HIS   A O   1 
ATOM   1144 C  CB  . HIS   A 1 132 ? 29.170 17.334  28.829 1.000 17.634 0 132 HIS   A CB  1 
ATOM   1145 C  CG  . HIS   A 1 132 ? 29.173 17.713  27.402 1.000 23.174 0 132 HIS   A CG  1 
ATOM   1146 N  ND1 . HIS   A 1 132 ? 28.057 17.447  26.623 1.000 26.308 0 132 HIS   A ND1 1 
ATOM   1147 C  CD2 . HIS   A 1 132 ? 30.039 18.397  26.630 1.000 27.604 0 132 HIS   A CD2 1 
ATOM   1148 C  CE1 . HIS   A 1 132 ? 28.281 17.937  25.389 1.000 27.924 0 132 HIS   A CE1 1 
ATOM   1149 N  NE2 . HIS   A 1 132 ? 29.479 18.496  25.372 1.000 30.518 0 132 HIS   A NE2 1 
ATOM   1150 N  N   . PHE   A 1 133 ? 28.226 18.287  32.007 1.000 10.765 0 133 PHE   A N   1 
ATOM   1151 C  CA  . PHE   A 1 133 ? 28.337 17.738  33.351 1.000 11.110 0 133 PHE   A CA  1 
ATOM   1152 C  C   . PHE   A 1 133 ? 27.506 18.499  34.379 1.000 11.792 0 133 PHE   A C   1 
ATOM   1153 O  O   . PHE   A 1 133 ? 26.830 17.873  35.203 1.000 11.445 0 133 PHE   A O   1 
ATOM   1154 C  CB  . PHE   A 1 133 ? 29.783 17.690  33.843 1.000 10.478 0 133 PHE   A CB  1 
ATOM   1155 C  CG  . PHE   A 1 133 ? 30.598 16.619  33.138 1.000 12.655 0 133 PHE   A CG  1 
ATOM   1156 C  CD1 . PHE   A 1 133 ? 31.148 16.823  31.893 1.000 13.298 0 133 PHE   A CD1 1 
ATOM   1157 C  CD2 . PHE   A 1 133 ? 30.742 15.376  33.725 1.000 13.793 0 133 PHE   A CD2 1 
ATOM   1158 C  CE1 . PHE   A 1 133 ? 31.782 15.771  31.241 1.000 13.226 0 133 PHE   A CE1 1 
ATOM   1159 C  CE2 . PHE   A 1 133 ? 31.422 14.361  33.078 1.000 15.161 0 133 PHE   A CE2 1 
ATOM   1160 C  CZ  . PHE   A 1 133 ? 31.880 14.533  31.836 1.000 13.143 0 133 PHE   A CZ  1 
ATOM   1161 N  N   . LEU   A 1 134 ? 27.575 19.829  34.398 1.000 11.258 0 134 LEU   A N   1 
ATOM   1162 C  CA  . LEU   A 1 134 ? 27.062 20.530  35.586 1.000 10.342 0 134 LEU   A CA  1 
ATOM   1163 C  C   . LEU   A 1 134 ? 25.534 20.401  35.723 1.000 9.847  0 134 LEU   A C   1 
ATOM   1164 O  O   . LEU   A 1 134 ? 25.043 20.201  36.843 1.000 8.993  0 134 LEU   A O   1 
ATOM   1165 C  CB  . LEU   A 1 134 ? 27.401 22.009  35.551 1.000 11.014 0 134 LEU   A CB  1 
ATOM   1166 C  CG  . LEU   A 1 134 ? 28.874 22.400  35.609 1.000 12.182 0 134 LEU   A CG  1 
ATOM   1167 C  CD1 . LEU   A 1 134 ? 28.979 23.911  35.734 1.000 13.335 0 134 LEU   A CD1 1 
ATOM   1168 C  CD2 . LEU   A 1 134 ? 29.523 21.709  36.752 1.000 12.953 0 134 LEU   A CD2 1 
ATOM   1169 N  N   . ASP   A 1 135 ? 24.800 20.576  34.631 1.000 10.389 0 135 ASP   A N   1 
ATOM   1170 C  CA  . ASP   A 1 135 ? 23.350 20.423  34.684 1.000 11.509 0 135 ASP   A CA  1 
ATOM   1171 C  C   . ASP   A 1 135 ? 22.958 18.955  34.873 1.000 11.576 0 135 ASP   A C   1 
ATOM   1172 O  O   . ASP   A 1 135 ? 22.001 18.668  35.603 1.000 12.589 0 135 ASP   A O   1 
ATOM   1173 C  CB  . ASP   A 1 135 ? 22.654 21.054  33.480 1.000 14.023 0 135 ASP   A CB  1 
ATOM   1174 C  CG  . ASP   A 1 135 ? 21.145 21.142  33.662 1.000 16.087 0 135 ASP   A CG  1 
ATOM   1175 O  OD1 . ASP   A 1 135 ? 20.679 21.575  34.712 1.000 16.011 0 135 ASP   A OD1 1 
ATOM   1176 O  OD2 . ASP   A 1 135 ? 20.447 20.570  32.816 1.000 20.552 0 135 ASP   A OD2 1 
ATOM   1177 N  N   . GLU   A 1 136 ? 23.640 18.003  34.200 1.000 10.944 0 136 GLU   A N   1 
ATOM   1178 C  CA  . GLU   A 1 136 ? 23.343 16.590  34.426 1.000 13.588 0 136 GLU   A CA  1 
ATOM   1179 C  C   . GLU   A 1 136 ? 23.451 16.277  35.918 1.000 12.841 0 136 GLU   A C   1 
ATOM   1180 O  O   . GLU   A 1 136 ? 22.631 15.579  36.516 1.000 13.295 0 136 GLU   A O   1 
ATOM   1181 C  CB  . GLU   A 1 136 ? 24.210 15.678  33.549 1.000 15.343 0 136 GLU   A CB  1 
ATOM   1182 C  CG  . GLU   A 1 136 ? 24.013 15.901  32.049 1.000 18.354 0 136 GLU   A CG  1 
ATOM   1183 N  N   . GLU   A 1 137 ? 24.478 16.817  36.572 1.000 9.886  0 137 GLU   A N   1 
ATOM   1184 C  CA  . GLU   A 1 137 ? 24.691 16.572  37.960 1.000 9.810  0 137 GLU   A CA  1 
ATOM   1185 C  C   . GLU   A 1 137 ? 23.597 17.206  38.808 1.000 9.534  0 137 GLU   A C   1 
ATOM   1186 O  O   . GLU   A 1 137 ? 23.076 16.569  39.739 1.000 10.950 0 137 GLU   A O   1 
ATOM   1187 C  CB  . GLU   A 1 137 ? 26.079 17.079  38.344 1.000 11.926 0 137 GLU   A CB  1 
ATOM   1188 C  CG  . GLU   A 1 137 ? 26.478 16.530  39.682 1.000 11.792 0 137 GLU   A CG  1 
ATOM   1189 C  CD  . GLU   A 1 137 ? 26.610 14.988  39.686 1.000 11.227 0 137 GLU   A CD  1 
ATOM   1190 O  OE1 . GLU   A 1 137 ? 26.886 14.266  38.731 1.000 12.004 0 137 GLU   A OE1 1 
ATOM   1191 O  OE2 . GLU   A 1 137 ? 26.272 14.574  40.780 1.000 13.577 0 137 GLU   A OE2 1 
ATOM   1192 N  N   . VAL   A 1 138 ? 23.236 18.460  38.541 1.000 9.235  0 138 VAL   A N   1 
ATOM   1193 C  CA  . VAL   A 1 138 ? 22.156 19.083  39.311 1.000 9.724  0 138 VAL   A CA  1 
ATOM   1194 C  C   . VAL   A 1 138 ? 20.861 18.279  39.154 1.000 9.005  0 138 VAL   A C   1 
ATOM   1195 O  O   . VAL   A 1 138 ? 20.160 18.078  40.134 1.000 9.463  0 138 VAL   A O   1 
ATOM   1196 C  CB  . VAL   A 1 138 ? 21.972 20.570  38.901 1.000 9.771  0 138 VAL   A CB  1 
ATOM   1197 C  CG1 . VAL   A 1 138 ? 20.579 21.166  39.249 1.000 10.945 0 138 VAL   A CG1 1 
ATOM   1198 C  CG2 . VAL   A 1 138 ? 23.031 21.454  39.550 1.000 10.512 0 138 VAL   A CG2 1 
ATOM   1199 N  N   . LYS   A 1 139 ? 20.526 17.869  37.948 1.000 9.051  0 139 LYS   A N   1 
ATOM   1200 C  CA  . LYS   A 1 139 ? 19.320 17.078  37.694 1.000 11.117 0 139 LYS   A CA  1 
ATOM   1201 C  C   . LYS   A 1 139 ? 19.334 15.762  38.467 1.000 10.362 0 139 LYS   A C   1 
ATOM   1202 O  O   . LYS   A 1 139 ? 18.332 15.389  39.092 1.000 10.846 0 139 LYS   A O   1 
ATOM   1203 C  CB  . LYS   A 1 139 ? 19.110 16.800  36.207 1.000 12.926 0 139 LYS   A CB  1 
ATOM   1204 C  CG  . LYS   A 1 139 ? 18.611 18.056  35.495 1.000 18.065 0 139 LYS   A CG  1 
ATOM   1205 C  CD  . LYS   A 1 139 ? 18.403 17.883  34.000 1.000 26.096 0 139 LYS   A CD  1 
ATOM   1206 C  CE  . LYS   A 1 139 ? 19.347 16.900  33.369 1.000 36.046 0 139 LYS   A CE  1 
ATOM   1207 N  NZ  . LYS   A 1 139 ? 19.030 16.626  31.954 1.000 44.553 0 139 LYS   A NZ  1 
ATOM   1208 N  N   . LEU   A 1 140 ? 20.498 15.112  38.509 1.000 9.859  0 140 LEU   A N   1 
ATOM   1209 C  CA  . LEU   A 1 140 ? 20.613 13.840  39.211 1.000 10.690 0 140 LEU   A CA  1 
ATOM   1210 C  C   . LEU   A 1 140 ? 20.446 14.003  40.706 1.000 10.665 0 140 LEU   A C   1 
ATOM   1211 O  O   . LEU   A 1 140 ? 19.737 13.214  41.357 1.000 11.660 0 140 LEU   A O   1 
ATOM   1212 C  CB  . LEU   A 1 140 ? 21.930 13.150  38.868 1.000 10.371 0 140 LEU   A CB  1 
ATOM   1213 C  CG  . LEU   A 1 140 ? 22.137 11.789  39.539 1.000 10.912 0 140 LEU   A CG  1 
ATOM   1214 C  CD1 . LEU   A 1 140 ? 21.000 10.806  39.263 1.000 11.239 0 140 LEU   A CD1 1 
ATOM   1215 C  CD2 . LEU   A 1 140 ? 23.485 11.245  39.065 1.000 11.581 0 140 LEU   A CD2 1 
ATOM   1216 N  N   . ILE   A 1 141 ? 21.096 15.020  41.292 1.000 8.666  0 141 ILE   A N   1 
ATOM   1217 C  CA  . ILE   A 1 141 ? 21.001 15.287  42.695 1.000 8.865  0 141 ILE   A CA  1 
ATOM   1218 C  C   . ILE   A 1 141 ? 19.549 15.649  43.090 1.000 9.790  0 141 ILE   A C   1 
ATOM   1219 O  O   . ILE   A 1 141 ? 19.051 15.191  44.136 1.000 10.181 0 141 ILE   A O   1 
ATOM   1220 C  CB  . ILE   A 1 141 ? 22.044 16.312  43.156 1.000 10.020 0 141 ILE   A CB  1 
ATOM   1221 C  CG1 . ILE   A 1 141 ? 23.428 15.708  42.994 1.000 11.061 0 141 ILE   A CG1 1 
ATOM   1222 C  CG2 . ILE   A 1 141 ? 21.792 16.802  44.569 1.000 10.941 0 141 ILE   A CG2 1 
ATOM   1223 C  CD1 . ILE   A 1 141 ? 24.532 16.719  43.149 1.000 10.838 0 141 ILE   A CD1 1 
ATOM   1224 N  N   . LYS   A 1 142 ? 18.870 16.413  42.231 1.000 9.067  0 142 LYS   A N   1 
ATOM   1225 C  CA  . LYS   A 1 142 ? 17.476 16.744  42.522 1.000 9.513  0 142 LYS   A CA  1 
ATOM   1226 C  C   . LYS   A 1 142 ? 16.604 15.477  42.533 1.000 10.511 0 142 LYS   A C   1 
ATOM   1227 O  O   . LYS   A 1 142 ? 15.782 15.316  43.443 1.000 10.227 0 142 LYS   A O   1 
ATOM   1228 C  CB  . LYS   A 1 142 ? 16.918 17.738  41.505 1.000 8.540  0 142 LYS   A CB  1 
ATOM   1229 C  CG  . LYS   A 1 142 ? 15.403 18.002  41.553 1.000 8.825  0 142 LYS   A CG  1 
ATOM   1230 C  CD  . LYS   A 1 142 ? 14.927 18.668  42.835 1.000 8.840  0 142 LYS   A CD  1 
ATOM   1231 C  CE  . LYS   A 1 142 ? 13.565 19.301  42.801 1.000 9.230  0 142 LYS   A CE  1 
ATOM   1232 N  NZ  . LYS   A 1 142 ? 12.487 18.299  42.527 1.000 9.408  0 142 LYS   A NZ  1 
ATOM   1233 N  N   . LYS   A 1 143 ? 16.808 14.583  41.575 1.000 10.073 0 143 LYS   A N   1 
ATOM   1234 C  CA  . LYS   A 1 143 ? 16.088 13.306  41.523 1.000 11.582 0 143 LYS   A CA  1 
ATOM   1235 C  C   . LYS   A 1 143 ? 16.352 12.483  42.791 1.000 10.843 0 143 LYS   A C   1 
ATOM   1236 O  O   . LYS   A 1 143 ? 15.442 11.931  43.422 1.000 9.322  0 143 LYS   A O   1 
ATOM   1237 C  CB  . LYS   A 1 143 ? 16.468 12.508  40.276 1.000 12.463 0 143 LYS   A CB  1 
ATOM   1238 C  CG  . LYS   A 1 143 ? 15.805 11.168  40.126 1.000 17.072 0 143 LYS   A CG  1 
ATOM   1239 C  CD  . LYS   A 1 143 ? 14.296 11.204  40.087 1.000 23.238 0 143 LYS   A CD  1 
ATOM   1240 C  CE  . LYS   A 1 143 ? 13.754 11.940  38.915 1.000 29.303 0 143 LYS   A CE  1 
ATOM   1241 N  NZ  . LYS   A 1 143 ? 12.288 11.747  38.987 1.000 32.298 0 143 LYS   A NZ  1 
ATOM   1242 N  N   . MET   A 1 144 ? 17.611 12.419  43.237 1.000 10.328 0 144 MET   A N   1 
ATOM   1243 C  CA  . MET   A 1 144 ? 17.936 11.660  44.429 1.000 10.430 0 144 MET   A CA  1 
ATOM   1244 C  C   . MET   A 1 144 ? 17.297 12.277  45.651 1.000 9.644  0 144 MET   A C   1 
ATOM   1245 O  O   . MET   A 1 144 ? 16.872 11.562  46.540 1.000 10.986 0 144 MET   A O   1 
ATOM   1246 C  CB  . MET   A 1 144 ? 19.450 11.520  44.645 1.000 10.449 0 144 MET   A CB  1 
ATOM   1247 C  CG  . MET   A 1 144 ? 20.091 10.622  43.650 1.000 10.405 0 144 MET   A CG  1 
ATOM   1248 S  SD  . MET   A 1 144 ? 21.884 10.580  43.920 1.000 12.007 0 144 MET   A SD  1 
ATOM   1249 C  CE  . MET   A 1 144 ? 22.237 9.301   42.737 1.000 11.539 0 144 MET   A CE  1 
ATOM   1250 N  N   . GLY   A 1 145 ? 17.287 13.615  45.740 1.000 8.762  0 145 GLY   A N   1 
ATOM   1251 C  CA  . GLY   A 1 145 ? 16.639 14.280  46.840 1.000 8.425  0 145 GLY   A CA  1 
ATOM   1252 C  C   . GLY   A 1 145 ? 15.131 13.953  46.855 1.000 8.393  0 145 GLY   A C   1 
ATOM   1253 O  O   . GLY   A 1 145 ? 14.590 13.723  47.938 1.000 8.104  0 145 GLY   A O   1 
ATOM   1254 N  N   . ASP   A 1 146 ? 14.496 14.008  45.681 1.000 8.494  0 146 ASP   A N   1 
ATOM   1255 C  CA  . ASP   A 1 146 ? 13.094 13.623  45.563 1.000 8.767  0 146 ASP   A CA  1 
ATOM   1256 C  C   . ASP   A 1 146 ? 12.881 12.212  46.097 1.000 9.793  0 146 ASP   A C   1 
ATOM   1257 O  O   . ASP   A 1 146 ? 11.958 11.957  46.859 1.000 8.611  0 146 ASP   A O   1 
ATOM   1258 C  CB  . ASP   A 1 146 ? 12.577 13.710  44.155 1.000 8.806  0 146 ASP   A CB  1 
ATOM   1259 C  CG  . ASP   A 1 146 ? 12.568 15.092  43.504 1.000 9.774  0 146 ASP   A CG  1 
ATOM   1260 O  OD1 . ASP   A 1 146 ? 12.725 16.096  44.237 1.000 9.615  0 146 ASP   A OD1 1 
ATOM   1261 O  OD2 . ASP   A 1 146 ? 12.376 15.138  42.262 1.000 11.693 0 146 ASP   A OD2 1 
ATOM   1262 N  N   . HIS   A 1 147 ? 13.747 11.287  45.676 1.000 9.595  0 147 HIS   A N   1 
ATOM   1263 C  CA  . HIS   A 1 147 ? 13.619 9.920   46.113 1.000 10.282 0 147 HIS   A CA  1 
ATOM   1264 C  C   . HIS   A 1 147 ? 13.783 9.826   47.617 1.000 10.810 0 147 HIS   A C   1 
ATOM   1265 O  O   . HIS   A 1 147 ? 13.037 9.123   48.299 1.000 10.353 0 147 HIS   A O   1 
ATOM   1266 C  CB  . HIS   A 1 147 ? 14.673 9.035   45.418 1.000 10.461 0 147 HIS   A CB  1 
ATOM   1267 C  CG  . HIS   A 1 147 ? 14.381 8.730   44.023 1.000 9.677  0 147 HIS   A CG  1 
ATOM   1268 N  ND1 . HIS   A 1 147 ? 13.128 8.906   43.455 1.000 9.754  0 147 HIS   A ND1 1 
ATOM   1269 C  CD2 . HIS   A 1 147 ? 15.138 8.234   43.054 1.000 9.447  0 147 HIS   A CD2 1 
ATOM   1270 C  CE1 . HIS   A 1 147 ? 13.196 8.563   42.206 1.000 10.913 0 147 HIS   A CE1 1 
ATOM   1271 N  NE2 . HIS   A 1 147 ? 14.429 8.111   41.934 1.000 11.914 0 147 HIS   A NE2 1 
ATOM   1272 N  N   . LEU   A 1 148 ? 14.824 10.471  48.165 1.000 10.400 0 148 LEU   A N   1 
ATOM   1273 C  CA  A LEU   A 1 148 ? 15.078 10.428  49.603 0.500 10.861 0 148 LEU   A CA  1 
ATOM   1274 C  CA  B LEU   A 1 148 ? 15.076 10.420  49.587 0.500 11.506 0 148 LEU   A CA  1 
ATOM   1275 C  C   . LEU   A 1 148 ? 13.837 10.847  50.378 1.000 11.146 0 148 LEU   A C   1 
ATOM   1276 O  O   . LEU   A 1 148 ? 13.451 10.208  51.384 1.000 10.159 0 148 LEU   A O   1 
ATOM   1277 C  CB  A LEU   A 1 148 ? 16.239 11.310  50.071 0.500 10.788 0 148 LEU   A CB  1 
ATOM   1278 C  CB  B LEU   A 1 148 ? 16.279 11.339  49.801 0.500 12.488 0 148 LEU   A CB  1 
ATOM   1279 C  CG  A LEU   A 1 148 ? 17.634 10.763  49.811 0.500 10.503 0 148 LEU   A CG  1 
ATOM   1280 C  CG  B LEU   A 1 148 ? 16.764 11.434  51.241 0.500 12.905 0 148 LEU   A CG  1 
ATOM   1281 C  CD1 A LEU   A 1 148 ? 18.647 11.873  49.996 0.500 10.467 0 148 LEU   A CD1 1 
ATOM   1282 C  CD1 B LEU   A 1 148 ? 16.917 10.025  51.759 0.500 14.080 0 148 LEU   A CD1 1 
ATOM   1283 C  CD2 A LEU   A 1 148 ? 17.942 9.611   50.729 0.500 9.780  0 148 LEU   A CD2 1 
ATOM   1284 C  CD2 B LEU   A 1 148 ? 18.075 12.189  51.287 0.500 12.719 0 148 LEU   A CD2 1 
ATOM   1285 N  N   . THR   A 1 149 ? 13.204 11.945  49.934 1.000 9.750  0 149 THR   A N   1 
ATOM   1286 C  CA  . THR   A 1 149 ? 12.031 12.437  50.603 1.000 9.618  0 149 THR   A CA  1 
ATOM   1287 C  C   . THR   A 1 149 ? 10.914 11.392  50.574 1.000 9.031  0 149 THR   A C   1 
ATOM   1288 O  O   . THR   A 1 149 ? 10.210 11.206  51.575 1.000 10.604 0 149 THR   A O   1 
ATOM   1289 C  CB  . THR   A 1 149 ? 11.590 13.756  49.959 1.000 9.350  0 149 THR   A CB  1 
ATOM   1290 O  OG1 . THR   A 1 149 ? 12.606 14.715  50.242 1.000 9.848  0 149 THR   A OG1 1 
ATOM   1291 C  CG2 . THR   A 1 149 ? 10.243 14.211  50.495 1.000 9.614  0 149 THR   A CG2 1 
ATOM   1292 N  N   . ASN   A 1 150 ? 10.689 10.778  49.431 1.000 9.197  0 150 ASN   A N   1 
ATOM   1293 C  CA  . ASN   A 1 150 ? 9.643  9.761   49.314 1.000 8.474  0 150 ASN   A CA  1 
ATOM   1294 C  C   . ASN   A 1 150 ? 9.988  8.529   50.159 1.000 9.396  0 150 ASN   A C   1 
ATOM   1295 O  O   . ASN   A 1 150 ? 9.124  7.956   50.802 1.000 9.154  0 150 ASN   A O   1 
ATOM   1296 C  CB  . ASN   A 1 150 ? 9.363  9.415   47.867 1.000 8.376  0 150 ASN   A CB  1 
ATOM   1297 C  CG  . ASN   A 1 150 ? 8.444  10.446  47.277 1.000 8.537  0 150 ASN   A CG  1 
ATOM   1298 O  OD1 . ASN   A 1 150 ? 7.225  10.400  47.488 1.000 8.668  0 150 ASN   A OD1 1 
ATOM   1299 N  ND2 . ASN   A 1 150 ? 9.042  11.369  46.546 1.000 8.578  0 150 ASN   A ND2 1 
ATOM   1300 N  N   . ILE   A 1 151 ? 11.231 8.084   50.132 1.000 9.360  0 151 ILE   A N   1 
ATOM   1301 C  CA  . ILE   A 1 151 ? 11.610 6.952   50.975 1.000 10.282 0 151 ILE   A CA  1 
ATOM   1302 C  C   . ILE   A 1 151 ? 11.375 7.262   52.440 1.000 10.831 0 151 ILE   A C   1 
ATOM   1303 O  O   . ILE   A 1 151 ? 10.798 6.437   53.174 1.000 10.982 0 151 ILE   A O   1 
ATOM   1304 C  CB  . ILE   A 1 151 ? 13.085 6.591   50.670 1.000 9.968  0 151 ILE   A CB  1 
ATOM   1305 C  CG1 . ILE   A 1 151 ? 13.288 6.072   49.286 1.000 10.777 0 151 ILE   A CG1 1 
ATOM   1306 C  CG2 . ILE   A 1 151 ? 13.549 5.621   51.765 1.000 11.052 0 151 ILE   A CG2 1 
ATOM   1307 C  CD1 . ILE   A 1 151 ? 14.722 6.082   48.813 1.000 12.302 0 151 ILE   A CD1 1 
ATOM   1308 N  N   . GLN   A 1 152 ? 11.761 8.469   52.907 1.000 10.830 0 152 GLN   A N   1 
ATOM   1309 C  CA  . GLN   A 1 152 ? 11.613 8.930   54.295 1.000 12.824 0 152 GLN   A CA  1 
ATOM   1310 C  C   . GLN   A 1 152 ? 10.134 8.999   54.667 1.000 15.918 0 152 GLN   A C   1 
ATOM   1311 O  O   . GLN   A 1 152 ? 9.772  8.610   55.771 1.000 16.646 0 152 GLN   A O   1 
ATOM   1312 C  CB  . GLN   A 1 152 ? 12.307 10.269  54.544 1.000 16.247 0 152 GLN   A CB  1 
ATOM   1313 C  CG  . GLN   A 1 152 ? 13.815 10.179  54.388 1.000 20.681 0 152 GLN   A CG  1 
ATOM   1314 C  CD  . GLN   A 1 152 ? 14.540 11.512  54.192 1.000 28.434 0 152 GLN   A CD  1 
ATOM   1315 O  OE1 . GLN   A 1 152 ? 14.075 12.453  53.520 1.000 34.916 0 152 GLN   A OE1 1 
ATOM   1316 N  NE2 . GLN   A 1 152 ? 15.733 11.586  54.760 1.000 30.814 0 152 GLN   A NE2 1 
ATOM   1317 N  N   . ARG   A 1 153 ? 9.294  9.445   53.750 1.000 14.062 0 153 ARG   A N   1 
ATOM   1318 C  CA  . ARG   A 1 153 ? 7.863  9.525   54.041 1.000 16.501 0 153 ARG   A CA  1 
ATOM   1319 C  C   . ARG   A 1 153 ? 7.262  8.150   54.285 1.000 16.261 0 153 ARG   A C   1 
ATOM   1320 O  O   . ARG   A 1 153 ? 6.316  8.041   55.064 1.000 16.893 0 153 ARG   A O   1 
ATOM   1321 C  CB  . ARG   A 1 153 ? 7.131  10.243  52.893 1.000 21.012 0 153 ARG   A CB  1 
ATOM   1322 C  CG  . ARG   A 1 153 ? 5.725  10.691  53.255 1.000 25.766 0 153 ARG   A CG  1 
ATOM   1323 C  CD  . ARG   A 1 153 ? 5.293  12.024  52.672 1.000 26.967 0 153 ARG   A CD  1 
ATOM   1324 N  NE  . ARG   A 1 153 ? 5.697  12.044  51.280 1.000 18.850 0 153 ARG   A NE  1 
ATOM   1325 C  CZ  . ARG   A 1 153 ? 6.316  12.975  50.547 1.000 15.036 0 153 ARG   A CZ  1 
ATOM   1326 N  NH1 . ARG   A 1 153 ? 6.271  14.237  51.022 1.000 16.815 0 153 ARG   A NH1 1 
ATOM   1327 N  NH2 . ARG   A 1 153 ? 6.888  12.644  49.308 1.000 12.168 0 153 ARG   A NH2 1 
ATOM   1328 N  N   . LEU   A 1 154 ? 7.839  7.119   53.658 1.000 16.471 0 154 LEU   A N   1 
ATOM   1329 C  CA  . LEU   A 1 154 ? 7.338  5.747   53.674 1.000 15.239 0 154 LEU   A CA  1 
ATOM   1330 C  C   . LEU   A 1 154 ? 7.847  4.919   54.846 1.000 20.097 0 154 LEU   A C   1 
ATOM   1331 O  O   . LEU   A 1 154 ? 7.361  3.800   55.033 1.000 22.570 0 154 LEU   A O   1 
ATOM   1332 C  CB  . LEU   A 1 154 ? 7.647  5.032   52.377 1.000 15.606 0 154 LEU   A CB  1 
ATOM   1333 C  CG  . LEU   A 1 154 ? 6.780  5.425   51.186 1.000 14.899 0 154 LEU   A CG  1 
ATOM   1334 C  CD1 . LEU   A 1 154 ? 7.350  4.996   49.831 1.000 15.100 0 154 LEU   A CD1 1 
ATOM   1335 C  CD2 . LEU   A 1 154 ? 5.354  4.841   51.410 1.000 17.715 0 154 LEU   A CD2 1 
ATOM   1336 N  N   . VAL   A 1 155 ? 8.784  5.421   55.644 1.000 21.939 0 155 VAL   A N   1 
ATOM   1337 C  CA  . VAL   A 1 155 ? 9.350  4.586   56.696 1.000 27.000 0 155 VAL   A CA  1 
ATOM   1338 C  C   . VAL   A 1 155 ? 8.294  4.396   57.780 1.000 34.192 0 155 VAL   A C   1 
ATOM   1339 O  O   . VAL   A 1 155 ? 7.858  3.261   58.068 1.000 35.668 0 155 VAL   A O   1 
ATOM   1340 C  CB  . VAL   A 1 155 ? 10.619 5.169   57.322 1.000 25.701 0 155 VAL   A CB  1 
ATOM   1341 C  CG1 . VAL   A 1 155 ? 11.093 4.291   58.478 1.000 25.817 0 155 VAL   A CG1 1 
ATOM   1342 C  CG2 . VAL   A 1 155 ? 11.718 5.351   56.275 1.000 23.292 0 155 VAL   A CG2 1 
ATOM   1343 N  N   . GLY   A 1 156 ? 7.880  5.526   58.363 1.000 35.096 0 156 GLY   A N   1 
ATOM   1344 C  CA  . GLY   A 1 156 ? 6.778  5.478   59.302 1.000 44.815 0 156 GLY   A CA  1 
ATOM   1345 C  C   . GLY   A 1 156 ? 7.087  4.421   60.356 1.000 44.774 0 156 GLY   A C   1 
ATOM   1346 O  O   . GLY   A 1 156 ? 8.135  4.512   60.978 1.000 44.971 0 156 GLY   A O   1 
ATOM   1347 N  N   . SER   A 1 157 ? 6.211  3.417   60.500 1.000 50.165 0 157 SER   A N   1 
ATOM   1348 C  CA  . SER   A 1 157 ? 6.419  2.326   61.447 1.000 51.204 0 157 SER   A CA  1 
ATOM   1349 C  C   . SER   A 1 157 ? 6.382  0.948   60.769 1.000 50.845 0 157 SER   A C   1 
ATOM   1350 O  O   . SER   A 1 157 ? 6.584  -0.068  61.442 1.000 45.365 0 157 SER   A O   1 
ATOM   1351 N  N   . GLN   A 1 158 ? 6.160  0.914   59.440 1.000 39.152 0 158 GLN   A N   1 
ATOM   1352 C  CA  . GLN   A 1 158 ? 6.142  -0.327  58.681 1.000 35.744 0 158 GLN   A CA  1 
ATOM   1353 C  C   . GLN   A 1 158 ? 7.210  -0.232  57.583 1.000 26.964 0 158 GLN   A C   1 
ATOM   1354 O  O   . GLN   A 1 158 ? 6.906  0.103   56.408 1.000 23.648 0 158 GLN   A O   1 
ATOM   1355 C  CB  . GLN   A 1 158 ? 4.698  -0.515  58.202 1.000 37.559 0 158 GLN   A CB  1 
ATOM   1356 N  N   . ALA   A 1 159 ? 8.472  -0.428  57.980 1.000 23.753 0 159 ALA   A N   1 
ATOM   1357 C  CA  . ALA   A 1 159 ? 9.576  -0.034  57.115 1.000 21.153 0 159 ALA   A CA  1 
ATOM   1358 C  C   . ALA   A 1 159 ? 9.650  -0.951  55.895 1.000 15.830 0 159 ALA   A C   1 
ATOM   1359 O  O   . ALA   A 1 159 ? 9.893  -0.493  54.796 1.000 13.175 0 159 ALA   A O   1 
ATOM   1360 C  CB  . ALA   A 1 159 ? 10.877 -0.038  57.875 1.000 21.575 0 159 ALA   A CB  1 
ATOM   1361 N  N   . GLY   A 1 160 ? 9.435  -2.257  56.105 1.000 15.391 0 160 GLY   A N   1 
ATOM   1362 C  CA  . GLY   A 1 160 ? 9.474  -3.198  54.990 1.000 14.296 0 160 GLY   A CA  1 
ATOM   1363 C  C   . GLY   A 1 160 ? 8.419  -2.876  53.931 1.000 11.825 0 160 GLY   A C   1 
ATOM   1364 O  O   . GLY   A 1 160 ? 8.706  -2.910  52.733 1.000 11.070 0 160 GLY   A O   1 
ATOM   1365 N  N   . LEU   A 1 161 ? 7.181  -2.632  54.376 1.000 12.206 0 161 LEU   A N   1 
ATOM   1366 C  CA  . LEU   A 1 161 ? 6.117  -2.239  53.470 1.000 11.740 0 161 LEU   A CA  1 
ATOM   1367 C  C   . LEU   A 1 161 ? 6.512  -1.013  52.646 1.000 9.755  0 161 LEU   A C   1 
ATOM   1368 O  O   . LEU   A 1 161 ? 6.307  -1.000  51.446 1.000 11.246 0 161 LEU   A O   1 
ATOM   1369 C  CB  . LEU   A 1 161 ? 4.893  -1.939  54.326 1.000 13.387 0 161 LEU   A CB  1 
ATOM   1370 C  CG  . LEU   A 1 161 ? 3.678  -1.299  53.669 1.000 13.607 0 161 LEU   A CG  1 
ATOM   1371 C  CD1 . LEU   A 1 161 ? 3.092  -2.246  52.687 1.000 16.181 0 161 LEU   A CD1 1 
ATOM   1372 C  CD2 . LEU   A 1 161 ? 2.684  -0.988  54.756 1.000 15.768 0 161 LEU   A CD2 1 
ATOM   1373 N  N   . GLY   A 1 162 ? 7.002  0.035   53.311 1.000 10.992 0 162 GLY   A N   1 
ATOM   1374 C  CA  . GLY   A 1 162 ? 7.415  1.249   52.614 1.000 10.842 0 162 GLY   A CA  1 
ATOM   1375 C  C   . GLY   A 1 162 ? 8.539  1.001   51.616 1.000 9.716  0 162 GLY   A C   1 
ATOM   1376 O  O   . GLY   A 1 162 ? 8.524  1.525   50.519 1.000 10.740 0 162 GLY   A O   1 
ATOM   1377 N  N   . GLU   A 1 163 ? 9.485  0.150   51.956 1.000 9.964  0 163 GLU   A N   1 
ATOM   1378 C  CA  . GLU   A 1 163 ? 10.592 -0.136  51.047 1.000 10.348 0 163 GLU   A CA  1 
ATOM   1379 C  C   . GLU   A 1 163 ? 10.139 -0.879  49.799 1.000 9.724  0 163 GLU   A C   1 
ATOM   1380 O  O   . GLU   A 1 163 ? 10.518 -0.527  48.642 1.000 9.697  0 163 GLU   A O   1 
ATOM   1381 C  CB  . GLU   A 1 163 ? 11.674 -0.869  51.832 1.000 12.438 0 163 GLU   A CB  1 
ATOM   1382 C  CG  . GLU   A 1 163 ? 12.975 -0.963  51.066 1.000 12.147 0 163 GLU   A CG  1 
ATOM   1383 C  CD  . GLU   A 1 163 ? 14.202 -1.359  51.870 1.000 14.063 0 163 GLU   A CD  1 
ATOM   1384 O  OE1 . GLU   A 1 163 ? 14.074 -1.891  53.002 1.000 16.784 0 163 GLU   A OE1 1 
ATOM   1385 O  OE2 . GLU   A 1 163 ? 15.293 -1.219  51.307 1.000 13.153 0 163 GLU   A OE2 1 
ATOM   1386 N  N   . TYR   A 1 164 ? 9.214  -1.828  49.997 1.000 8.687  0 164 TYR   A N   1 
ATOM   1387 C  CA  . TYR   A 1 164 ? 8.599  -2.527  48.887 1.000 8.681  0 164 TYR   A CA  1 
ATOM   1388 C  C   . TYR   A 1 164 ? 7.826  -1.554  47.997 1.000 8.007  0 164 TYR   A C   1 
ATOM   1389 O  O   . TYR   A 1 164 ? 7.961  -1.557  46.795 1.000 8.112  0 164 TYR   A O   1 
ATOM   1390 C  CB  . TYR   A 1 164 ? 7.699  -3.644  49.438 1.000 8.209  0 164 TYR   A CB  1 
ATOM   1391 C  CG  . TYR   A 1 164 ? 6.916  -4.355  48.348 1.000 10.130 0 164 TYR   A CG  1 
ATOM   1392 C  CD1 . TYR   A 1 164 ? 7.506  -5.347  47.597 1.000 9.050  0 164 TYR   A CD1 1 
ATOM   1393 C  CD2 . TYR   A 1 164 ? 5.560  -4.145  48.129 1.000 9.452  0 164 TYR   A CD2 1 
ATOM   1394 C  CE1 . TYR   A 1 164 ? 6.846  -6.056  46.618 1.000 8.516  0 164 TYR   A CE1 1 
ATOM   1395 C  CE2 . TYR   A 1 164 ? 4.869  -4.846  47.145 1.000 9.135  0 164 TYR   A CE2 1 
ATOM   1396 C  CZ  . TYR   A 1 164 ? 5.501  -5.824  46.398 1.000 9.221  0 164 TYR   A CZ  1 
ATOM   1397 O  OH  . TYR   A 1 164 ? 4.849  -6.517  45.415 1.000 9.315  0 164 TYR   A OH  1 
ATOM   1398 N  N   . LEU   A 1 165 ? 6.962  -0.720  48.607 1.000 8.793  0 165 LEU   A N   1 
ATOM   1399 C  CA  . LEU   A 1 165 ? 6.111  0.150   47.826 1.000 9.294  0 165 LEU   A CA  1 
ATOM   1400 C  C   . LEU   A 1 165 ? 6.917  1.163   47.005 1.000 8.709  0 165 LEU   A C   1 
ATOM   1401 O  O   . LEU   A 1 165 ? 6.559  1.455   45.868 1.000 9.235  0 165 LEU   A O   1 
ATOM   1402 C  CB  . LEU   A 1 165 ? 5.099  0.832   48.743 1.000 9.995  0 165 LEU   A CB  1 
ATOM   1403 C  CG  . LEU   A 1 165 ? 3.951  -0.066  49.205 1.000 10.835 0 165 LEU   A CG  1 
ATOM   1404 C  CD1 . LEU   A 1 165 ? 3.207  0.686   50.296 1.000 11.656 0 165 LEU   A CD1 1 
ATOM   1405 C  CD2 . LEU   A 1 165 ? 3.073  -0.522  48.061 1.000 11.558 0 165 LEU   A CD2 1 
ATOM   1406 N  N   . PHE   A 1 166 ? 7.989  1.683   47.613 1.000 9.307  0 166 PHE   A N   1 
ATOM   1407 C  CA  . PHE   A 1 166 ? 8.806  2.646   46.885 1.000 8.989  0 166 PHE   A CA  1 
ATOM   1408 C  C   . PHE   A 1 166 ? 9.426  1.992   45.640 1.000 9.064  0 166 PHE   A C   1 
ATOM   1409 O  O   . PHE   A 1 166 ? 9.415  2.541   44.528 1.000 8.375  0 166 PHE   A O   1 
ATOM   1410 C  CB  . PHE   A 1 166 ? 9.915  3.222   47.756 1.000 9.524  0 166 PHE   A CB  1 
ATOM   1411 C  CG  . PHE   A 1 166 ? 10.738 4.267   47.038 1.000 9.896  0 166 PHE   A CG  1 
ATOM   1412 C  CD1 . PHE   A 1 166 ? 10.201 5.527   46.766 1.000 11.355 0 166 PHE   A CD1 1 
ATOM   1413 C  CD2 . PHE   A 1 166 ? 11.997 3.953   46.542 1.000 10.930 0 166 PHE   A CD2 1 
ATOM   1414 C  CE1 . PHE   A 1 166 ? 10.946 6.458   46.056 1.000 11.226 0 166 PHE   A CE1 1 
ATOM   1415 C  CE2 . PHE   A 1 166 ? 12.740 4.909   45.888 1.000 10.760 0 166 PHE   A CE2 1 
ATOM   1416 C  CZ  . PHE   A 1 166 ? 12.211 6.165   45.640 1.000 11.021 0 166 PHE   A CZ  1 
ATOM   1417 N  N   . GLU   A 1 167 ? 9.984  0.783   45.837 1.000 8.517  0 167 GLU   A N   1 
ATOM   1418 C  CA  . GLU   A 1 167 ? 10.567 0.042   44.746 1.000 8.466  0 167 GLU   A CA  1 
ATOM   1419 C  C   . GLU   A 1 167 ? 9.566  -0.285  43.637 1.000 8.061  0 167 GLU   A C   1 
ATOM   1420 O  O   . GLU   A 1 167 ? 9.853  -0.181  42.444 1.000 8.335  0 167 GLU   A O   1 
ATOM   1421 C  CB  . GLU   A 1 167 ? 11.344 -1.180  45.275 1.000 8.068  0 167 GLU   A CB  1 
ATOM   1422 C  CG  . GLU   A 1 167 ? 11.959 -1.961  44.125 1.000 8.873  0 167 GLU   A CG  1 
ATOM   1423 C  CD  . GLU   A 1 167 ? 11.157 -3.054  43.454 1.000 9.198  0 167 GLU   A CD  1 
ATOM   1424 O  OE1 . GLU   A 1 167 ? 10.169 -3.459  44.131 1.000 9.717  0 167 GLU   A OE1 1 
ATOM   1425 O  OE2 . GLU   A 1 167 ? 11.394 -3.416  42.321 1.000 9.586  0 167 GLU   A OE2 1 
ATOM   1426 N  N   . ARG   A 1 168 ? 8.354  -0.650  44.030 1.000 7.768  0 168 ARG   A N   1 
ATOM   1427 C  CA  . ARG   A 1 168 ? 7.362  -1.051  43.090 1.000 8.367  0 168 ARG   A CA  1 
ATOM   1428 C  C   . ARG   A 1 168 ? 6.715  0.137   42.348 1.000 8.755  0 168 ARG   A C   1 
ATOM   1429 O  O   . ARG   A 1 168 ? 6.426  0.039   41.139 1.000 9.838  0 168 ARG   A O   1 
ATOM   1430 C  CB  . ARG   A 1 168 ? 6.210  -1.779  43.797 1.000 7.986  0 168 ARG   A CB  1 
ATOM   1431 C  CG  . ARG   A 1 168 ? 6.445  -3.196  44.303 1.000 8.203  0 168 ARG   A CG  1 
ATOM   1432 C  CD  . ARG   A 1 168 ? 6.567  -4.230  43.196 1.000 9.374  0 168 ARG   A CD  1 
ATOM   1433 N  NE  . ARG   A 1 168 ? 7.920  -4.266  42.608 1.000 9.931  0 168 ARG   A NE  1 
ATOM   1434 C  CZ  . ARG   A 1 168 ? 8.226  -5.082  41.638 1.000 10.368 0 168 ARG   A CZ  1 
ATOM   1435 N  NH1 . ARG   A 1 168 ? 7.332  -5.805  40.956 1.000 11.059 0 168 ARG   A NH1 1 
ATOM   1436 N  NH2 . ARG   A 1 168 ? 9.494  -5.225  41.264 1.000 12.378 0 168 ARG   A NH2 1 
ATOM   1437 N  N   . LEU   A 1 169 ? 6.497  1.266   43.031 1.000 8.903  0 169 LEU   A N   1 
ATOM   1438 C  CA  . LEU   A 1 169 ? 5.628  2.318   42.520 1.000 10.204 0 169 LEU   A CA  1 
ATOM   1439 C  C   . LEU   A 1 169 ? 6.385  3.566   42.059 1.000 10.671 0 169 LEU   A C   1 
ATOM   1440 O  O   . LEU   A 1 169 ? 5.836  4.365   41.260 1.000 10.604 0 169 LEU   A O   1 
ATOM   1441 C  CB  . LEU   A 1 169 ? 4.557  2.696   43.549 1.000 10.307 0 169 LEU   A CB  1 
ATOM   1442 C  CG  . LEU   A 1 169 ? 3.559  1.597   43.938 1.000 10.965 0 169 LEU   A CG  1 
ATOM   1443 C  CD1 . LEU   A 1 169 ? 2.524  2.138   44.934 1.000 11.762 0 169 LEU   A CD1 1 
ATOM   1444 C  CD2 . LEU   A 1 169 ? 2.892  1.017   42.688 1.000 12.571 0 169 LEU   A CD2 1 
ATOM   1445 N  N   . THR   A 1 170 ? 7.643  3.734   42.505 1.000 10.181 0 170 THR   A N   1 
ATOM   1446 C  CA  . THR   A 1 170 ? 8.469  4.827   42.028 1.000 10.632 0 170 THR   A CA  1 
ATOM   1447 C  C   . THR   A 1 170 ? 9.522  4.325   41.049 1.000 10.664 0 170 THR   A C   1 
ATOM   1448 O  O   . THR   A 1 170 ? 9.714  4.929   40.014 1.000 12.334 0 170 THR   A O   1 
ATOM   1449 C  CB  . THR   A 1 170 ? 9.130  5.598   43.162 1.000 9.846  0 170 THR   A CB  1 
ATOM   1450 O  OG1 . THR   A 1 170 ? 8.092  6.266   43.878 1.000 10.497 0 170 THR   A OG1 1 
ATOM   1451 C  CG2 . THR   A 1 170 ? 10.105 6.655   42.658 1.000 10.879 0 170 THR   A CG2 1 
ATOM   1452 N  N   . LEU   A 1 171 ? 10.277 3.272   41.412 1.000 11.790 0 171 LEU   A N   1 
ATOM   1453 C  CA  . LEU   A 1 171 ? 11.423 2.938   40.581 1.000 13.224 0 171 LEU   A CA  1 
ATOM   1454 C  C   . LEU   A 1 171 ? 11.002 2.009   39.441 1.000 18.030 0 171 LEU   A C   1 
ATOM   1455 O  O   . LEU   A 1 171 ? 9.944  1.407   39.466 1.000 20.509 0 171 LEU   A O   1 
ATOM   1456 C  CB  . LEU   A 1 171 ? 12.480 2.327   41.481 1.000 12.881 0 171 LEU   A CB  1 
ATOM   1457 C  CG  . LEU   A 1 171 ? 13.082 3.261   42.526 1.000 13.057 0 171 LEU   A CG  1 
ATOM   1458 C  CD1 . LEU   A 1 171 ? 14.078 2.483   43.391 1.000 14.800 0 171 LEU   A CD1 1 
ATOM   1459 C  CD2 . LEU   A 1 171 ? 13.703 4.516   41.983 1.000 14.101 0 171 LEU   A CD2 1 
ATOM   1460 N  N   . LYS   A 1 172 ? 11.759 2.062   38.337 1.000 24.620 0 172 LYS   A N   1 
ATOM   1461 C  CA  . LYS   A 1 172 ? 11.347 1.401   37.095 1.000 30.785 0 172 LYS   A CA  1 
ATOM   1462 C  C   . LYS   A 1 172 ? 11.846 -0.043  37.179 1.000 33.863 0 172 LYS   A C   1 
ATOM   1463 O  O   . LYS   A 1 172 ? 12.979 -0.244  37.623 1.000 31.901 0 172 LYS   A O   1 
ATOM   1464 C  CB  . LYS   A 1 172 ? 11.894 2.200   35.894 1.000 30.382 0 172 LYS   A CB  1 
ATOM   1465 N  N   . HIS   A 1 173 ? 11.005 -1.042  36.843 1.000 33.970 0 173 HIS   A N   1 
ATOM   1466 C  CA  . HIS   A 1 173 ? 11.378 -2.453  36.991 1.000 35.153 0 173 HIS   A CA  1 
ATOM   1467 C  C   . HIS   A 1 173 ? 10.795 -3.324  35.870 1.000 36.252 0 173 HIS   A C   1 
ATOM   1468 O  O   . HIS   A 1 173 ? 9.817  -2.718  35.390 1.000 43.276 0 173 HIS   A O   1 
ATOM   1469 C  CB  . HIS   A 1 173 ? 10.950 -3.025  38.349 1.000 34.255 0 173 HIS   A CB  1 
ATOM   1470 C  CG  . HIS   A 1 173 ? 9.554  -2.698  38.751 1.000 35.890 0 173 HIS   A CG  1 
ATOM   1471 N  ND1 . HIS   A 1 173 ? 8.456  -3.401  38.294 1.000 28.655 0 173 HIS   A ND1 1 
ATOM   1472 C  CD2 . HIS   A 1 173 ? 9.092  -1.734  39.586 1.000 29.955 0 173 HIS   A CD2 1 
ATOM   1473 C  CE1 . HIS   A 1 173 ? 7.351  -2.886  38.834 1.000 34.007 0 173 HIS   A CE1 1 
ATOM   1474 N  NE2 . HIS   A 1 173 ? 7.716  -1.883  39.637 1.000 33.474 0 173 HIS   A NE2 1 
HETATM 1475 CD CD  . CD    B 2 .   ? 18.676 -7.149  39.454 0.300 17.157 0 201 CD    A CD  1 
HETATM 1476 CD CD  . CD    C 2 .   ? 27.031 27.031  27.031 0.160 25.113 0 202 CD    A CD  1 
HETATM 1477 CD CD  . CD    D 2 .   ? 29.376 29.898  31.000 0.250 16.966 0 203 CD    A CD  1 
HETATM 1478 CD CD  . CD    E 2 .   ? 48.926 0.000   41.829 0.440 15.806 0 204 CD    A CD  1 
HETATM 1479 CD CD  . CD    F 2 .   ? 29.438 29.438  29.438 0.090 19.689 0 205 CD    A CD  1 
HETATM 1480 CD CD  . CD    G 2 .   ? 30.463 20.537  23.760 0.360 65.484 0 206 CD    A CD  1 
HETATM 1481 S  S   . SO4   H 3 .   ? 49.665 28.133  24.580 1.000 26.751 0 207 SO4   A S   1 
HETATM 1482 O  O1  . SO4   H 3 .   ? 49.849 28.473  23.174 1.000 29.920 0 207 SO4   A O1  1 
HETATM 1483 O  O2  . SO4   H 3 .   ? 48.674 28.972  25.204 1.000 31.493 0 207 SO4   A O2  1 
HETATM 1484 O  O3  . SO4   H 3 .   ? 49.295 26.741  24.688 1.000 28.075 0 207 SO4   A O3  1 
HETATM 1485 O  O4  . SO4   H 3 .   ? 50.950 28.310  25.261 1.000 31.123 0 207 SO4   A O4  1 
HETATM 1486 CL CL  . CL    I 4 .   ? 50.564 1.798   41.158 1.000 44.562 0 208 CL    A CL  1 
HETATM 1487 C  C1  . EDO   J 5 .   ? 14.382 2.435   54.219 1.000 26.489 0 209 EDO   A C1  1 
HETATM 1488 O  O1  . EDO   J 5 .   ? 14.647 2.027   52.844 1.000 14.545 0 209 EDO   A O1  1 
HETATM 1489 C  C2  . EDO   J 5 .   ? 13.395 1.687   55.038 1.000 23.989 0 209 EDO   A C2  1 
HETATM 1490 O  O2  . EDO   J 5 .   ? 13.639 0.256   55.149 1.000 35.177 0 209 EDO   A O2  1 
HETATM 1491 C  C1  . EDO   K 5 .   ? 18.076 -4.704  52.540 1.000 20.930 0 210 EDO   A C1  1 
HETATM 1492 O  O1  . EDO   K 5 .   ? 17.389 -5.877  52.927 1.000 24.306 0 210 EDO   A O1  1 
HETATM 1493 C  C2  . EDO   K 5 .   ? 17.164 -3.641  52.057 1.000 17.928 0 210 EDO   A C2  1 
HETATM 1494 O  O2  . EDO   K 5 .   ? 16.468 -3.167  53.242 1.000 18.642 0 210 EDO   A O2  1 
HETATM 1495 C  C1  . EDO   L 5 .   ? 27.396 14.019  35.244 1.000 26.750 0 211 EDO   A C1  1 
HETATM 1496 O  O1  . EDO   L 5 .   ? 28.101 14.155  36.406 1.000 20.268 0 211 EDO   A O1  1 
HETATM 1497 C  C2  . EDO   L 5 .   ? 26.189 13.163  35.456 1.000 31.014 0 211 EDO   A C2  1 
HETATM 1498 O  O2  . EDO   L 5 .   ? 26.466 11.845  35.970 1.000 31.135 0 211 EDO   A O2  1 
HETATM 1499 C  C1  . A1L52 M 6 .   ? 37.281 0.426   34.076 0.500 16.806 0 212 A1L52 A C1  1 
HETATM 1500 O  O2  . A1L52 M 6 .   ? 33.246 -0.220  30.847 0.500 13.738 0 212 A1L52 A O2  1 
HETATM 1501 C  C3  . A1L52 M 6 .   ? 35.070 0.401   36.574 0.500 16.604 0 212 A1L52 A C3  1 
HETATM 1502 C  C4  . A1L52 M 6 .   ? 34.740 -0.720  37.508 0.500 17.438 0 212 A1L52 A C4  1 
HETATM 1503 C  C5  . A1L52 M 6 .   ? 34.067 0.017   34.368 0.500 14.663 0 212 A1L52 A C5  1 
HETATM 1504 C  C6  . A1L52 M 6 .   ? 32.770 0.291   34.895 0.500 14.429 0 212 A1L52 A C6  1 
HETATM 1505 C  C7  . A1L52 M 6 .   ? 31.669 0.367   34.085 0.500 15.015 0 212 A1L52 A C7  1 
HETATM 1506 C  C8  . A1L52 M 6 .   ? 31.787 0.215   32.697 0.500 15.124 0 212 A1L52 A C8  1 
HETATM 1507 C  C9  . A1L52 M 6 .   ? 30.892 0.162   30.540 0.500 14.850 0 212 A1L52 A C9  1 
HETATM 1508 C  C12 . A1L52 M 6 .   ? 27.421 0.532   29.205 0.500 15.345 0 212 A1L52 A C12 1 
HETATM 1509 C  C13 . A1L52 M 6 .   ? 27.643 0.411   27.816 0.500 15.177 0 212 A1L52 A C13 1 
HETATM 1510 C  C14 . A1L52 M 6 .   ? 28.920 0.209   27.336 0.500 15.995 0 212 A1L52 A C14 1 
HETATM 1511 C  C15 . A1L52 M 6 .   ? 30.009 0.125   28.231 0.500 15.528 0 212 A1L52 A C15 1 
HETATM 1512 C  C16 . A1L52 M 6 .   ? 31.345 -0.111  27.751 0.500 16.449 0 212 A1L52 A C16 1 
HETATM 1513 C  C17 . A1L52 M 6 .   ? 32.422 -0.201  28.675 0.500 15.152 0 212 A1L52 A C17 1 
HETATM 1514 C  C18 . A1L52 M 6 .   ? 32.184 -0.091  30.019 0.500 14.357 0 212 A1L52 A C18 1 
HETATM 1515 C  C20 . A1L52 M 6 .   ? 34.195 -0.157  32.992 0.500 14.529 0 212 A1L52 A C20 1 
HETATM 1516 C  C2  . A1L52 M 6 .   ? 36.430 -0.608  34.735 0.500 16.011 0 212 A1L52 A C2  1 
HETATM 1517 N  N1  . A1L52 M 6 .   ? 35.149 -0.052  35.184 0.500 15.557 0 212 A1L52 A N1  1 
HETATM 1518 N  N2  . A1L52 M 6 .   ? 30.683 0.312   31.861 0.500 14.052 0 212 A1L52 A N2  1 
HETATM 1519 C  C10 . A1L52 M 6 .   ? 29.780 0.247   29.626 0.500 14.992 0 212 A1L52 A C10 1 
HETATM 1520 C  C11 . A1L52 M 6 .   ? 28.475 0.460   30.081 0.500 15.995 0 212 A1L52 A C11 1 
HETATM 1521 O  O1  . A1L52 M 6 .   ? 31.598 -0.199  26.522 0.500 19.504 0 212 A1L52 A O1  1 
HETATM 1522 C  C19 . A1L52 M 6 .   ? 33.080 -0.026  32.189 0.500 14.965 0 212 A1L52 A C19 1 
HETATM 1523 O  O   . HOH   N 7 .   ? 35.700 18.342  23.841 1.000 28.991 0 301 HOH   A O   1 
HETATM 1524 O  O   . HOH   N 7 .   ? 53.808 17.105  14.390 1.000 38.316 0 302 HOH   A O   1 
HETATM 1525 O  O   . HOH   N 7 .   ? 50.463 26.224  34.522 1.000 35.204 0 303 HOH   A O   1 
HETATM 1526 O  O   . HOH   N 7 .   ? 12.252 -9.071  36.560 1.000 39.171 0 304 HOH   A O   1 
HETATM 1527 O  O   . HOH   N 7 .   ? 29.527 4.885   52.445 1.000 32.072 0 305 HOH   A O   1 
HETATM 1528 O  O   . HOH   N 7 .   ? 22.845 20.043  50.663 1.000 24.011 0 306 HOH   A O   1 
HETATM 1529 O  O   . HOH   N 7 .   ? 39.924 9.158   43.173 1.000 30.054 0 307 HOH   A O   1 
HETATM 1530 O  O   . HOH   N 7 .   ? 20.416 0.342   58.086 1.000 29.935 0 308 HOH   A O   1 
HETATM 1531 O  O   . HOH   N 7 .   ? 25.567 23.612  33.154 1.000 26.439 0 309 HOH   A O   1 
HETATM 1532 O  O   . HOH   N 7 .   ? 29.243 29.108  33.653 1.000 34.583 0 310 HOH   A O   1 
HETATM 1533 O  O   . HOH   N 7 .   ? 30.103 5.145   49.316 1.000 23.914 0 311 HOH   A O   1 
HETATM 1534 O  O   . HOH   N 7 .   ? 10.923 13.432  41.077 1.000 24.076 0 312 HOH   A O   1 
HETATM 1535 O  O   . HOH   N 7 .   ? 51.003 15.698  28.557 1.000 24.123 0 313 HOH   A O   1 
HETATM 1536 O  O   . HOH   N 7 .   ? 27.800 26.188  25.042 1.000 28.465 0 314 HOH   A O   1 
HETATM 1537 O  O   . HOH   N 7 .   ? 16.057 9.952   56.739 1.000 38.784 0 315 HOH   A O   1 
HETATM 1538 O  O   . HOH   N 7 .   ? 8.282  8.799   44.394 1.000 17.678 0 316 HOH   A O   1 
HETATM 1539 O  O   . HOH   N 7 .   ? 33.806 23.014  25.191 1.000 13.519 0 317 HOH   A O   1 
HETATM 1540 O  O   . HOH   N 7 .   ? 45.661 14.067  21.632 1.000 9.010  0 318 HOH   A O   1 
HETATM 1541 O  O   . HOH   N 7 .   ? 30.202 21.276  48.683 1.000 16.631 0 319 HOH   A O   1 
HETATM 1542 O  O   . HOH   N 7 .   ? 47.810 4.268   41.277 1.000 19.503 0 320 HOH   A O   1 
HETATM 1543 O  O   . HOH   N 7 .   ? 19.168 5.269   56.913 1.000 30.964 0 321 HOH   A O   1 
HETATM 1544 O  O   . HOH   N 7 .   ? 46.464 30.023  24.216 1.000 16.588 0 322 HOH   A O   1 
HETATM 1545 O  O   . HOH   N 7 .   ? 45.034 31.272  29.333 1.000 23.720 0 323 HOH   A O   1 
HETATM 1546 O  O   . HOH   N 7 .   ? 32.478 -5.373  47.880 1.000 10.459 0 324 HOH   A O   1 
HETATM 1547 O  O   . HOH   N 7 .   ? 19.541 -16.157 51.125 1.000 25.797 0 325 HOH   A O   1 
HETATM 1548 O  O   . HOH   N 7 .   ? 34.948 2.774   44.352 1.000 24.512 0 326 HOH   A O   1 
HETATM 1549 O  O   . HOH   N 7 .   ? 46.142 10.353  26.203 1.000 13.369 0 327 HOH   A O   1 
HETATM 1550 O  O   . HOH   N 7 .   ? 9.083  -0.782  60.815 1.000 42.242 0 328 HOH   A O   1 
HETATM 1551 O  O   . HOH   N 7 .   ? 35.764 -5.634  49.726 1.000 15.648 0 329 HOH   A O   1 
HETATM 1552 O  O   . HOH   N 7 .   ? 32.156 4.069   47.472 1.000 13.410 0 330 HOH   A O   1 
HETATM 1553 O  O   . HOH   N 7 .   ? 36.211 25.578  44.066 1.000 27.247 0 331 HOH   A O   1 
HETATM 1554 O  O   . HOH   N 7 .   ? 50.743 17.077  25.810 1.000 29.012 0 332 HOH   A O   1 
HETATM 1555 O  O   . HOH   N 7 .   ? 31.681 -2.822  47.226 1.000 9.426  0 333 HOH   A O   1 
HETATM 1556 O  O   . HOH   N 7 .   ? 48.856 24.655  26.332 1.000 13.997 0 334 HOH   A O   1 
HETATM 1557 O  O   . HOH   N 7 .   ? 42.561 20.435  19.560 1.000 9.192  0 335 HOH   A O   1 
HETATM 1558 O  O   . HOH   N 7 .   ? 35.868 -4.717  52.936 1.000 25.728 0 336 HOH   A O   1 
HETATM 1559 O  O   . HOH   N 7 .   ? 34.996 16.389  45.815 1.000 20.464 0 337 HOH   A O   1 
HETATM 1560 O  O   . HOH   N 7 .   ? 7.323  1.916   39.094 1.000 24.894 0 338 HOH   A O   1 
HETATM 1561 O  O   . HOH   N 7 .   ? 44.046 25.303  31.101 1.000 10.036 0 339 HOH   A O   1 
HETATM 1562 O  O   . HOH   N 7 .   ? 42.127 18.174  41.083 1.000 31.294 0 340 HOH   A O   1 
HETATM 1563 O  O   . HOH   N 7 .   ? 21.440 -12.482 39.682 1.000 12.560 0 341 HOH   A O   1 
HETATM 1564 O  O   . HOH   N 7 .   ? 24.596 2.421   52.301 1.000 26.831 0 342 HOH   A O   1 
HETATM 1565 O  O   . HOH   N 7 .   ? 3.551  4.015   39.859 1.000 27.697 0 343 HOH   A O   1 
HETATM 1566 O  O   . HOH   N 7 .   ? 45.807 20.053  39.105 1.000 16.298 0 344 HOH   A O   1 
HETATM 1567 O  O   . HOH   N 7 .   ? 40.248 27.153  26.133 1.000 8.120  0 345 HOH   A O   1 
HETATM 1568 O  O   . HOH   N 7 .   ? 36.944 -6.606  42.173 1.000 14.195 0 346 HOH   A O   1 
HETATM 1569 O  O   . HOH   N 7 .   ? 46.162 13.698  38.277 1.000 23.909 0 347 HOH   A O   1 
HETATM 1570 O  O   . HOH   N 7 .   ? 20.602 -13.192 54.623 1.000 26.818 0 348 HOH   A O   1 
HETATM 1571 O  O   . HOH   N 7 .   ? 38.378 30.674  39.640 1.000 20.166 0 349 HOH   A O   1 
HETATM 1572 O  O   . HOH   N 7 .   ? 44.326 22.205  23.453 1.000 8.572  0 350 HOH   A O   1 
HETATM 1573 O  O   . HOH   N 7 .   ? 10.365 -6.079  44.898 1.000 8.930  0 351 HOH   A O   1 
HETATM 1574 O  O   . HOH   N 7 .   ? 26.677 21.408  38.943 1.000 9.915  0 352 HOH   A O   1 
HETATM 1575 O  O   . HOH   N 7 .   ? 16.701 -10.603 53.975 1.000 32.038 0 353 HOH   A O   1 
HETATM 1576 O  O   . HOH   N 7 .   ? 17.192 2.740   56.961 1.000 16.313 0 354 HOH   A O   1 
HETATM 1577 O  O   . HOH   N 7 .   ? 33.770 28.532  38.461 1.000 14.982 0 355 HOH   A O   1 
HETATM 1578 O  O   . HOH   N 7 .   ? 37.244 15.079  18.341 1.000 27.138 0 356 HOH   A O   1 
HETATM 1579 O  O   . HOH   N 7 .   ? 42.555 8.781   35.522 1.000 12.515 0 357 HOH   A O   1 
HETATM 1580 O  O   . HOH   N 7 .   ? 21.173 3.154   58.954 1.000 35.118 0 358 HOH   A O   1 
HETATM 1581 O  O   . HOH   N 7 .   ? 19.094 -7.865  53.750 1.000 43.870 0 359 HOH   A O   1 
HETATM 1582 O  O   . HOH   N 7 .   ? 28.174 10.946  33.968 1.000 23.125 0 360 HOH   A O   1 
HETATM 1583 O  O   . HOH   N 7 .   ? 24.220 5.808   54.065 1.000 14.410 0 361 HOH   A O   1 
HETATM 1584 O  O   . HOH   N 7 .   ? 5.212  2.181   55.610 1.000 28.436 0 362 HOH   A O   1 
HETATM 1585 O  O   . HOH   N 7 .   ? 29.718 14.608  49.756 1.000 16.541 0 363 HOH   A O   1 
HETATM 1586 O  O   . HOH   N 7 .   ? 29.870 -3.120  54.341 1.000 18.052 0 364 HOH   A O   1 
HETATM 1587 O  O   . HOH   N 7 .   ? 29.887 -6.128  47.662 1.000 11.354 0 365 HOH   A O   1 
HETATM 1588 O  O   . HOH   N 7 .   ? 26.280 -10.931 52.359 1.000 47.150 0 366 HOH   A O   1 
HETATM 1589 O  O   . HOH   N 7 .   ? 11.117 -7.787  40.642 1.000 25.468 0 367 HOH   A O   1 
HETATM 1590 O  O   . HOH   N 7 .   ? 15.756 15.984  38.304 1.000 16.081 0 368 HOH   A O   1 
HETATM 1591 O  O   . HOH   N 7 .   ? 27.695 -5.734  45.709 1.000 13.166 0 369 HOH   A O   1 
HETATM 1592 O  O   . HOH   N 7 .   ? 13.605 15.224  39.791 1.000 19.591 0 370 HOH   A O   1 
HETATM 1593 O  O   . HOH   N 7 .   ? 11.845 18.080  39.847 1.000 23.864 0 371 HOH   A O   1 
HETATM 1594 O  O   . HOH   N 7 .   ? 25.619 16.289  27.228 1.000 39.015 0 372 HOH   A O   1 
HETATM 1595 O  O   . HOH   N 7 .   ? 14.770 1.942   38.544 1.000 18.718 0 373 HOH   A O   1 
HETATM 1596 O  O   . HOH   N 7 .   ? 51.873 17.445  31.574 1.000 38.389 0 374 HOH   A O   1 
HETATM 1597 O  O   . HOH   N 7 .   ? 12.861 0.867   48.098 1.000 12.343 0 375 HOH   A O   1 
HETATM 1598 O  O   . HOH   N 7 .   ? 28.949 7.742   49.639 1.000 14.477 0 376 HOH   A O   1 
HETATM 1599 O  O   . HOH   N 7 .   ? 21.154 13.720  35.062 1.000 25.865 0 377 HOH   A O   1 
HETATM 1600 O  O   . HOH   N 7 .   ? 38.690 21.438  27.619 1.000 9.173  0 378 HOH   A O   1 
HETATM 1601 O  O   . HOH   N 7 .   ? 17.075 -3.979  55.841 1.000 26.721 0 379 HOH   A O   1 
HETATM 1602 O  O   . HOH   N 7 .   ? 38.441 18.850  40.572 1.000 14.219 0 380 HOH   A O   1 
HETATM 1603 O  O   . HOH   N 7 .   ? 39.810 25.083  41.930 1.000 21.026 0 381 HOH   A O   1 
HETATM 1604 O  O   . HOH   N 7 .   ? 49.210 13.625  31.816 1.000 14.966 0 382 HOH   A O   1 
HETATM 1605 O  O   . HOH   N 7 .   ? 33.036 26.688  40.202 1.000 12.259 0 383 HOH   A O   1 
HETATM 1606 O  O   . HOH   N 7 .   ? 10.665 10.143  43.983 1.000 12.377 0 384 HOH   A O   1 
HETATM 1607 O  O   . HOH   N 7 .   ? 26.911 -7.519  49.489 1.000 9.753  0 385 HOH   A O   1 
HETATM 1608 O  O   . HOH   N 7 .   ? 49.840 8.948   29.110 1.000 29.818 0 386 HOH   A O   1 
HETATM 1609 O  O   . HOH   N 7 .   ? 14.568 7.246   39.263 1.000 20.148 0 387 HOH   A O   1 
HETATM 1610 O  O   . HOH   N 7 .   ? 34.187 -2.192  50.819 1.000 15.170 0 388 HOH   A O   1 
HETATM 1611 O  O   . HOH   N 7 .   ? 43.735 33.943  37.462 1.000 44.645 0 389 HOH   A O   1 
HETATM 1612 O  O   . HOH   N 7 .   ? 47.991 29.938  27.761 1.000 35.112 0 390 HOH   A O   1 
HETATM 1613 O  O   . HOH   N 7 .   ? 29.690 -5.926  55.391 1.000 36.716 0 391 HOH   A O   1 
HETATM 1614 O  O   . HOH   N 7 .   ? 13.026 15.643  52.877 1.000 27.913 0 392 HOH   A O   1 
HETATM 1615 O  O   . HOH   N 7 .   ? 42.774 24.832  22.318 1.000 7.826  0 393 HOH   A O   1 
HETATM 1616 O  O   . HOH   N 7 .   ? 11.555 9.027   57.940 0.500 19.333 0 394 HOH   A O   1 
HETATM 1617 O  O   . HOH   N 7 .   ? 33.995 14.250  25.151 1.000 26.016 0 395 HOH   A O   1 
HETATM 1618 O  O   . HOH   N 7 .   ? 12.284 -6.950  43.112 1.000 8.572  0 396 HOH   A O   1 
HETATM 1619 O  O   . HOH   N 7 .   ? 8.838  -3.776  58.460 1.000 39.290 0 397 HOH   A O   1 
HETATM 1620 O  O   . HOH   N 7 .   ? 49.623 17.407  34.069 1.000 16.177 0 398 HOH   A O   1 
HETATM 1621 O  O   . HOH   N 7 .   ? 42.775 32.427  27.261 1.000 16.056 0 399 HOH   A O   1 
HETATM 1622 O  O   . HOH   N 7 .   ? 40.983 11.395  41.856 1.000 38.547 0 400 HOH   A O   1 
HETATM 1623 O  O   . HOH   N 7 .   ? 7.835  -8.092  39.294 1.000 45.462 0 401 HOH   A O   1 
HETATM 1624 O  O   . HOH   N 7 .   ? 40.666 5.493   43.437 1.000 22.408 0 402 HOH   A O   1 
HETATM 1625 O  O   . HOH   N 7 .   ? 22.933 5.618   56.272 1.000 24.538 0 403 HOH   A O   1 
HETATM 1626 O  O   . HOH   N 7 .   ? 38.046 33.104  32.805 1.000 31.646 0 404 HOH   A O   1 
HETATM 1627 O  O   . HOH   N 7 .   ? 28.023 13.906  29.571 1.000 41.237 0 405 HOH   A O   1 
HETATM 1628 O  O   . HOH   N 7 .   ? 33.060 6.240   44.756 1.000 17.492 0 406 HOH   A O   1 
HETATM 1629 O  O   . HOH   N 7 .   ? 12.855 2.582   50.621 1.000 14.260 0 407 HOH   A O   1 
HETATM 1630 O  O   . HOH   N 7 .   ? 34.130 10.680  45.591 1.000 36.942 0 408 HOH   A O   1 
HETATM 1631 O  O   . HOH   N 7 .   ? 50.741 24.645  32.145 1.000 22.931 0 409 HOH   A O   1 
HETATM 1632 O  O   . HOH   N 7 .   ? 39.820 16.683  39.884 1.000 14.788 0 410 HOH   A O   1 
HETATM 1633 O  O   . HOH   N 7 .   ? 33.909 8.632   43.392 1.000 15.210 0 411 HOH   A O   1 
HETATM 1634 O  O   . HOH   N 7 .   ? 25.394 19.651  31.909 1.000 20.066 0 412 HOH   A O   1 
HETATM 1635 O  O   . HOH   N 7 .   ? 32.001 -7.980  53.562 1.000 34.934 0 413 HOH   A O   1 
HETATM 1636 O  O   . HOH   N 7 .   ? 44.934 27.697  30.162 1.000 16.233 0 414 HOH   A O   1 
HETATM 1637 O  O   . HOH   N 7 .   ? 38.673 -3.615  53.701 1.000 28.101 0 415 HOH   A O   1 
HETATM 1638 O  O   . HOH   N 7 .   ? 38.550 18.743  43.435 1.000 21.878 0 416 HOH   A O   1 
HETATM 1639 O  O   . HOH   N 7 .   ? 52.035 15.191  21.657 1.000 27.895 0 417 HOH   A O   1 
HETATM 1640 O  O   . HOH   N 7 .   ? 23.930 -4.081  54.717 1.000 23.884 0 418 HOH   A O   1 
HETATM 1641 O  O   . HOH   N 7 .   ? 38.367 32.927  37.828 1.000 32.226 0 419 HOH   A O   1 
HETATM 1642 O  O   . HOH   N 7 .   ? 6.482  -3.604  57.100 1.000 30.609 0 420 HOH   A O   1 
HETATM 1643 O  O   . HOH   N 7 .   ? 32.132 25.569  45.067 1.000 19.437 0 421 HOH   A O   1 
HETATM 1644 O  O   . HOH   N 7 .   ? 49.966 26.233  21.095 1.000 29.247 0 422 HOH   A O   1 
HETATM 1645 O  O   . HOH   N 7 .   ? 9.901  12.938  54.028 1.000 21.286 0 423 HOH   A O   1 
HETATM 1646 O  O   . HOH   N 7 .   ? 47.134 2.017   45.347 1.000 20.377 0 424 HOH   A O   1 
HETATM 1647 O  O   . HOH   N 7 .   ? 5.935  9.998   57.408 1.000 39.430 0 425 HOH   A O   1 
HETATM 1648 O  O   . HOH   N 7 .   ? 43.613 22.549  20.832 1.000 10.819 0 426 HOH   A O   1 
HETATM 1649 O  O   . HOH   N 7 .   ? 46.559 10.125  37.094 1.000 30.196 0 427 HOH   A O   1 
HETATM 1650 O  O   . HOH   N 7 .   ? 24.423 14.534  51.744 1.000 40.541 0 428 HOH   A O   1 
HETATM 1651 O  O   . HOH   N 7 .   ? 47.673 13.063  36.046 1.000 28.767 0 429 HOH   A O   1 
HETATM 1652 O  O   . HOH   N 7 .   ? 37.061 1.187   50.582 1.000 38.411 0 430 HOH   A O   1 
HETATM 1653 O  O   . HOH   N 7 .   ? 50.475 20.777  37.138 1.000 39.742 0 431 HOH   A O   1 
HETATM 1654 O  O   . HOH   N 7 .   ? 48.633 14.778  34.250 1.000 21.641 0 432 HOH   A O   1 
HETATM 1655 O  O   . HOH   N 7 .   ? 30.627 17.074  48.811 1.000 22.188 0 433 HOH   A O   1 
HETATM 1656 O  O   . HOH   N 7 .   ? 14.100 4.516   38.175 1.000 27.478 0 434 HOH   A O   1 
HETATM 1657 O  O   . HOH   N 7 .   ? 45.365 28.198  39.024 1.000 36.287 0 435 HOH   A O   1 
HETATM 1658 O  O   . HOH   N 7 .   ? 40.925 27.549  40.994 1.000 29.833 0 436 HOH   A O   1 
HETATM 1659 O  O   . HOH   N 7 .   ? 43.666 4.193   44.805 1.000 29.159 0 437 HOH   A O   1 
HETATM 1660 O  O   . HOH   N 7 .   ? 9.559  12.725  43.406 1.000 27.466 0 438 HOH   A O   1 
HETATM 1661 O  O   . HOH   N 7 .   ? 51.031 23.609  27.934 1.000 40.683 0 439 HOH   A O   1 
HETATM 1662 O  O   . HOH   N 7 .   ? 25.625 8.209   53.585 1.000 22.649 0 440 HOH   A O   1 
HETATM 1663 O  O   . HOH   N 7 .   ? 34.843 -1.946  53.452 1.000 30.581 0 441 HOH   A O   1 
HETATM 1664 O  O   . HOH   N 7 .   ? 40.513 25.940  23.675 1.000 9.661  0 442 HOH   A O   1 
HETATM 1665 O  O   . HOH   N 7 .   ? 40.359 20.873  40.287 1.000 25.551 0 443 HOH   A O   1 
HETATM 1666 O  O   . HOH   N 7 .   ? 41.070 22.674  41.773 1.000 38.023 0 444 HOH   A O   1 
HETATM 1667 O  O   . HOH   N 7 .   ? 45.084 11.161  38.783 1.000 35.551 0 445 HOH   A O   1 
HETATM 1668 O  O   . HOH   N 7 .   ? 26.518 -7.807  46.743 1.000 15.467 0 446 HOH   A O   1 
HETATM 1669 O  O   . HOH   N 7 .   ? 53.323 15.124  17.669 1.000 27.746 0 447 HOH   A O   1 
HETATM 1670 O  O   . HOH   N 7 .   ? 9.035  12.204  56.350 1.000 44.357 0 448 HOH   A O   1 
HETATM 1671 O  O   . HOH   N 7 .   ? 24.327 0.124   56.391 1.000 48.366 0 449 HOH   A O   1 
HETATM 1672 O  O   . HOH   N 7 .   ? 18.566 12.813  36.296 1.000 33.349 0 450 HOH   A O   1 
HETATM 1673 O  O   . HOH   N 7 .   ? 47.832 27.330  29.611 1.000 28.006 0 451 HOH   A O   1 
HETATM 1674 O  O   . HOH   N 7 .   ? 31.099 9.034   48.659 1.000 22.275 0 452 HOH   A O   1 
HETATM 1675 O  O   . HOH   N 7 .   ? 37.836 31.786  30.567 1.000 23.376 0 453 HOH   A O   1 
HETATM 1676 O  O   . HOH   N 7 .   ? 19.733 -3.701  55.929 1.000 34.084 0 454 HOH   A O   1 
HETATM 1677 O  O   . HOH   N 7 .   ? 52.353 21.324  14.391 1.000 46.422 0 455 HOH   A O   1 
HETATM 1678 O  O   . HOH   N 7 .   ? 27.913 12.525  31.557 1.000 44.618 0 456 HOH   A O   1 
HETATM 1679 O  O   . HOH   N 7 .   ? 40.280 29.830  41.579 1.000 37.437 0 457 HOH   A O   1 
HETATM 1680 O  O   . HOH   N 7 .   ? 14.568 3.194   57.558 1.000 26.693 0 458 HOH   A O   1 
HETATM 1681 O  O   . HOH   N 7 .   ? 43.695 9.943   40.860 1.000 37.345 0 459 HOH   A O   1 
HETATM 1682 O  O   . HOH   N 7 .   ? 32.760 6.865   47.418 1.000 27.821 0 460 HOH   A O   1 
HETATM 1683 O  O   . HOH   N 7 .   ? 3.863  3.442   57.286 1.000 42.114 0 461 HOH   A O   1 
HETATM 1684 O  O   . HOH   N 7 .   ? 35.447 30.493  39.677 1.000 29.157 0 462 HOH   A O   1 
HETATM 1685 O  O   . HOH   N 7 .   ? 51.118 17.798  36.440 1.000 35.819 0 463 HOH   A O   1 
HETATM 1686 O  O   . HOH   N 7 .   ? 13.640 8.745   57.284 1.000 32.410 0 464 HOH   A O   1 
HETATM 1687 O  O   . HOH   N 7 .   ? 46.818 5.648   43.430 1.000 33.054 0 465 HOH   A O   1 
HETATM 1688 O  O   . HOH   N 7 .   ? 38.657 26.165  43.968 1.000 32.117 0 466 HOH   A O   1 
HETATM 1689 O  O   . HOH   N 7 .   ? 35.439 30.694  30.841 1.000 27.391 0 467 HOH   A O   1 
HETATM 1690 O  O   . HOH   N 7 .   ? 17.963 1.126   59.013 1.000 33.929 0 468 HOH   A O   1 
HETATM 1691 O  O   . HOH   N 7 .   ? 31.976 13.348  50.755 1.000 27.055 0 469 HOH   A O   1 
HETATM 1692 O  O   . HOH   N 7 .   ? 23.344 -11.678 56.106 1.000 37.895 0 470 HOH   A O   1 
HETATM 1693 O  O   . HOH   N 7 .   ? 28.434 7.633   52.353 1.000 23.035 0 471 HOH   A O   1 
HETATM 1694 O  O   . HOH   N 7 .   ? 24.615 10.511  54.781 1.000 26.348 0 472 HOH   A O   1 
HETATM 1695 O  O   . HOH   N 7 .   ? 48.576 19.919  39.291 1.000 29.242 0 473 HOH   A O   1 
HETATM 1696 O  O   . HOH   N 7 .   ? 51.837 12.727  31.273 1.000 29.095 0 474 HOH   A O   1 
HETATM 1697 O  O   . HOH   N 7 .   ? 36.590 14.094  46.051 1.000 36.270 0 475 HOH   A O   1 
HETATM 1698 O  O   . HOH   N 7 .   ? 27.748 15.163  51.642 1.000 25.280 0 476 HOH   A O   1 
HETATM 1699 O  O   . HOH   N 7 .   ? 52.839 13.547  28.964 1.000 28.595 0 477 HOH   A O   1 
HETATM 1700 O  O   . HOH   N 7 .   ? 50.554 15.950  38.343 1.000 34.067 0 478 HOH   A O   1 
HETATM 1701 O  O   . HOH   N 7 .   ? 16.636 -2.876  58.041 1.000 34.561 0 479 HOH   A O   1 
HETATM 1702 O  O   . HOH   N 7 .   ? 43.641 34.779  27.975 1.000 24.537 0 480 HOH   A O   1 
HETATM 1703 O  O   . HOH   N 7 .   ? 45.826 33.726  29.246 1.000 32.464 0 481 HOH   A O   1 
HETATM 1704 O  O   . HOH   N 7 .   ? 34.103 14.740  49.851 1.000 33.481 0 482 HOH   A O   1 
HETATM 1705 O  O   . HOH   N 7 .   ? 38.591 29.329  43.500 1.000 36.859 0 483 HOH   A O   1 
HETATM 1706 O  O   . HOH   N 7 .   ? 35.976 29.886  42.794 1.000 24.023 0 484 HOH   A O   1 
HETATM 1707 O  O   . HOH   N 7 .   ? 14.666 5.575   58.943 1.000 31.802 0 485 HOH   A O   1 
HETATM 1708 O  O   . HOH   N 7 .   ? 28.363 13.879  54.065 1.000 38.151 0 486 HOH   A O   1 
# 
