data_9KP7
# 
_entry.id   9KP7 
# 
_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   9KP7         pdb_00009kp7 10.2210/pdb9kp7/pdb 
WWPDB D_1300054019 ?            ?                   
# 
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                        9KP7 
_pdbx_database_status.recvd_initial_deposition_date   2024-11-22 
_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' 19862.408 1   ? R59F ? ? 
2 non-polymer syn 'CADMIUM ION'          112.411   6   ? ?    ? ? 
3 non-polymer syn 'CHLORIDE ION'         35.453    1   ? ?    ? ? 
4 non-polymer syn 'SULFATE ION'          96.063    2   ? ?    ? ? 
5 non-polymer syn 1,2-ETHANEDIOL         62.068    4   ? ?    ? ? 
6 non-polymer syn 'Nile Red'             318.369   1   ? ?    ? ? 
7 water       nat water                  18.015    229 ? ?    ? ? 
# 
_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       
;SSQIRQNYSTEVEAAVNRLVNLYLRASYTYLSLGFYFDRDDVALEGVCHFFRELAEEKFEGAERLLKMQNQRGGRALFQD
LQKPSQDEWGTTLDAMKAAIVLEKSLNQALLDLHALGSAQADPHLCDFLESHFLDEEVKLIKKMGDHLTNIQRLVGSQAG
LGEYLFERLTLKHD
;
_entity_poly.pdbx_seq_one_letter_code_can   
;SSQIRQNYSTEVEAAVNRLVNLYLRASYTYLSLGFYFDRDDVALEGVCHFFRELAEEKFEGAERLLKMQNQRGGRALFQD
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 'CHLORIDE ION' CL    
4 'SULFATE ION'  SO4   
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  GLU n 
1 54  LEU n 
1 55  ALA n 
1 56  GLU n 
1 57  GLU n 
1 58  LYS n 
1 59  PHE n 
1 60  GLU n 
1 61  GLY n 
1 62  ALA n 
1 63  GLU 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  GLU 53  53  53  GLU GLU 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  GLU 56  56  56  GLU GLU A . n 
A 1 57  GLU 57  57  57  GLU GLU 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  GLU 60  60  60  GLU GLU 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  GLU 63  63  63  GLU GLU 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 GLN 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 CL    1   207 1   CL    CL  A . 
I 4 SO4   1   208 1   SO4   SO4 A . 
J 4 SO4   1   209 2   SO4   SO4 A . 
K 5 EDO   1   210 201 EDO   EDO A . 
L 5 EDO   1   211 301 EDO   EDO A . 
M 5 EDO   1   212 401 EDO   EDO A . 
N 5 EDO   1   213 501 EDO   EDO A . 
O 6 A1L52 1   214 801 A1L52 NRE A . 
P 7 HOH   1   301 224 HOH   HOH A . 
P 7 HOH   2   302 213 HOH   HOH A . 
P 7 HOH   3   303 219 HOH   HOH A . 
P 7 HOH   4   304 251 HOH   HOH A . 
P 7 HOH   5   305 86  HOH   HOH A . 
P 7 HOH   6   306 267 HOH   HOH A . 
P 7 HOH   7   307 135 HOH   HOH A . 
P 7 HOH   8   308 121 HOH   HOH A . 
P 7 HOH   9   309 29  HOH   HOH A . 
P 7 HOH   10  310 247 HOH   HOH A . 
P 7 HOH   11  311 158 HOH   HOH A . 
P 7 HOH   12  312 50  HOH   HOH A . 
P 7 HOH   13  313 108 HOH   HOH A . 
P 7 HOH   14  314 36  HOH   HOH A . 
P 7 HOH   15  315 196 HOH   HOH A . 
P 7 HOH   16  316 134 HOH   HOH A . 
P 7 HOH   17  317 144 HOH   HOH A . 
P 7 HOH   18  318 111 HOH   HOH A . 
P 7 HOH   19  319 40  HOH   HOH A . 
P 7 HOH   20  320 166 HOH   HOH A . 
P 7 HOH   21  321 11  HOH   HOH A . 
P 7 HOH   22  322 250 HOH   HOH A . 
P 7 HOH   23  323 260 HOH   HOH A . 
P 7 HOH   24  324 195 HOH   HOH A . 
P 7 HOH   25  325 190 HOH   HOH A . 
P 7 HOH   26  326 5   HOH   HOH A . 
P 7 HOH   27  327 266 HOH   HOH A . 
P 7 HOH   28  328 2   HOH   HOH A . 
P 7 HOH   29  329 222 HOH   HOH A . 
P 7 HOH   30  330 61  HOH   HOH A . 
P 7 HOH   31  331 51  HOH   HOH A . 
P 7 HOH   32  332 39  HOH   HOH A . 
P 7 HOH   33  333 254 HOH   HOH A . 
P 7 HOH   34  334 67  HOH   HOH A . 
P 7 HOH   35  335 9   HOH   HOH A . 
P 7 HOH   36  336 265 HOH   HOH A . 
P 7 HOH   37  337 276 HOH   HOH A . 
P 7 HOH   38  338 1   HOH   HOH A . 
P 7 HOH   39  339 69  HOH   HOH A . 
P 7 HOH   40  340 116 HOH   HOH A . 
P 7 HOH   41  341 88  HOH   HOH A . 
P 7 HOH   42  342 47  HOH   HOH A . 
P 7 HOH   43  343 18  HOH   HOH A . 
P 7 HOH   44  344 22  HOH   HOH A . 
P 7 HOH   45  345 257 HOH   HOH A . 
P 7 HOH   46  346 258 HOH   HOH A . 
P 7 HOH   47  347 201 HOH   HOH A . 
P 7 HOH   48  348 146 HOH   HOH A . 
P 7 HOH   49  349 71  HOH   HOH A . 
P 7 HOH   50  350 26  HOH   HOH A . 
P 7 HOH   51  351 259 HOH   HOH A . 
P 7 HOH   52  352 15  HOH   HOH A . 
P 7 HOH   53  353 75  HOH   HOH A . 
P 7 HOH   54  354 233 HOH   HOH A . 
P 7 HOH   55  355 106 HOH   HOH A . 
P 7 HOH   56  356 272 HOH   HOH A . 
P 7 HOH   57  357 90  HOH   HOH A . 
P 7 HOH   58  358 269 HOH   HOH A . 
P 7 HOH   59  359 21  HOH   HOH A . 
P 7 HOH   60  360 112 HOH   HOH A . 
P 7 HOH   61  361 197 HOH   HOH A . 
P 7 HOH   62  362 181 HOH   HOH A . 
P 7 HOH   63  363 133 HOH   HOH A . 
P 7 HOH   64  364 70  HOH   HOH A . 
P 7 HOH   65  365 32  HOH   HOH A . 
P 7 HOH   66  366 256 HOH   HOH A . 
P 7 HOH   67  367 55  HOH   HOH A . 
P 7 HOH   68  368 74  HOH   HOH A . 
P 7 HOH   69  369 58  HOH   HOH A . 
P 7 HOH   70  370 79  HOH   HOH A . 
P 7 HOH   71  371 127 HOH   HOH A . 
P 7 HOH   72  372 188 HOH   HOH A . 
P 7 HOH   73  373 42  HOH   HOH A . 
P 7 HOH   74  374 102 HOH   HOH A . 
P 7 HOH   75  375 84  HOH   HOH A . 
P 7 HOH   76  376 270 HOH   HOH A . 
P 7 HOH   77  377 136 HOH   HOH A . 
P 7 HOH   78  378 245 HOH   HOH A . 
P 7 HOH   79  379 164 HOH   HOH A . 
P 7 HOH   80  380 56  HOH   HOH A . 
P 7 HOH   81  381 13  HOH   HOH A . 
P 7 HOH   82  382 46  HOH   HOH A . 
P 7 HOH   83  383 150 HOH   HOH A . 
P 7 HOH   84  384 31  HOH   HOH A . 
P 7 HOH   85  385 12  HOH   HOH A . 
P 7 HOH   86  386 248 HOH   HOH A . 
P 7 HOH   87  387 14  HOH   HOH A . 
P 7 HOH   88  388 261 HOH   HOH A . 
P 7 HOH   89  389 143 HOH   HOH A . 
P 7 HOH   90  390 73  HOH   HOH A . 
P 7 HOH   91  391 104 HOH   HOH A . 
P 7 HOH   92  392 160 HOH   HOH A . 
P 7 HOH   93  393 43  HOH   HOH A . 
P 7 HOH   94  394 221 HOH   HOH A . 
P 7 HOH   95  395 24  HOH   HOH A . 
P 7 HOH   96  396 264 HOH   HOH A . 
P 7 HOH   97  397 125 HOH   HOH A . 
P 7 HOH   98  398 124 HOH   HOH A . 
P 7 HOH   99  399 48  HOH   HOH A . 
P 7 HOH   100 400 4   HOH   HOH A . 
P 7 HOH   101 401 193 HOH   HOH A . 
P 7 HOH   102 402 16  HOH   HOH A . 
P 7 HOH   103 403 249 HOH   HOH A . 
P 7 HOH   104 404 268 HOH   HOH A . 
P 7 HOH   105 405 7   HOH   HOH A . 
P 7 HOH   106 406 35  HOH   HOH A . 
P 7 HOH   107 407 28  HOH   HOH A . 
P 7 HOH   108 408 66  HOH   HOH A . 
P 7 HOH   109 409 205 HOH   HOH A . 
P 7 HOH   110 410 147 HOH   HOH A . 
P 7 HOH   111 411 34  HOH   HOH A . 
P 7 HOH   112 412 59  HOH   HOH A . 
P 7 HOH   113 413 227 HOH   HOH A . 
P 7 HOH   114 414 109 HOH   HOH A . 
P 7 HOH   115 415 105 HOH   HOH A . 
P 7 HOH   116 416 210 HOH   HOH A . 
P 7 HOH   117 417 30  HOH   HOH A . 
P 7 HOH   118 418 203 HOH   HOH A . 
P 7 HOH   119 419 262 HOH   HOH A . 
P 7 HOH   120 420 101 HOH   HOH A . 
P 7 HOH   121 421 226 HOH   HOH A . 
P 7 HOH   122 422 243 HOH   HOH A . 
P 7 HOH   123 423 78  HOH   HOH A . 
P 7 HOH   124 424 274 HOH   HOH A . 
P 7 HOH   125 425 85  HOH   HOH A . 
P 7 HOH   126 426 3   HOH   HOH A . 
P 7 HOH   127 427 223 HOH   HOH A . 
P 7 HOH   128 428 103 HOH   HOH A . 
P 7 HOH   129 429 97  HOH   HOH A . 
P 7 HOH   130 430 129 HOH   HOH A . 
P 7 HOH   131 431 81  HOH   HOH A . 
P 7 HOH   132 432 95  HOH   HOH A . 
P 7 HOH   133 433 119 HOH   HOH A . 
P 7 HOH   134 434 114 HOH   HOH A . 
P 7 HOH   135 435 27  HOH   HOH A . 
P 7 HOH   136 436 49  HOH   HOH A . 
P 7 HOH   137 437 236 HOH   HOH A . 
P 7 HOH   138 438 53  HOH   HOH A . 
P 7 HOH   139 439 130 HOH   HOH A . 
P 7 HOH   140 440 77  HOH   HOH A . 
P 7 HOH   141 441 182 HOH   HOH A . 
P 7 HOH   142 442 44  HOH   HOH A . 
P 7 HOH   143 443 271 HOH   HOH A . 
P 7 HOH   144 444 253 HOH   HOH A . 
P 7 HOH   145 445 148 HOH   HOH A . 
P 7 HOH   146 446 60  HOH   HOH A . 
P 7 HOH   147 447 168 HOH   HOH A . 
P 7 HOH   148 448 220 HOH   HOH A . 
P 7 HOH   149 449 165 HOH   HOH A . 
P 7 HOH   150 450 107 HOH   HOH A . 
P 7 HOH   151 451 172 HOH   HOH A . 
P 7 HOH   152 452 132 HOH   HOH A . 
P 7 HOH   153 453 228 HOH   HOH A . 
P 7 HOH   154 454 230 HOH   HOH A . 
P 7 HOH   155 455 237 HOH   HOH A . 
P 7 HOH   156 456 252 HOH   HOH A . 
P 7 HOH   157 457 17  HOH   HOH A . 
P 7 HOH   158 458 170 HOH   HOH A . 
P 7 HOH   159 459 98  HOH   HOH A . 
P 7 HOH   160 460 273 HOH   HOH A . 
P 7 HOH   161 461 275 HOH   HOH A . 
P 7 HOH   162 462 37  HOH   HOH A . 
P 7 HOH   163 463 246 HOH   HOH A . 
P 7 HOH   164 464 192 HOH   HOH A . 
P 7 HOH   165 465 139 HOH   HOH A . 
P 7 HOH   166 466 242 HOH   HOH A . 
P 7 HOH   167 467 91  HOH   HOH A . 
P 7 HOH   168 468 131 HOH   HOH A . 
P 7 HOH   169 469 52  HOH   HOH A . 
P 7 HOH   170 470 141 HOH   HOH A . 
P 7 HOH   171 471 76  HOH   HOH A . 
P 7 HOH   172 472 72  HOH   HOH A . 
P 7 HOH   173 473 229 HOH   HOH A . 
P 7 HOH   174 474 208 HOH   HOH A . 
P 7 HOH   175 475 64  HOH   HOH A . 
P 7 HOH   176 476 212 HOH   HOH A . 
P 7 HOH   177 477 120 HOH   HOH A . 
P 7 HOH   178 478 234 HOH   HOH A . 
P 7 HOH   179 479 62  HOH   HOH A . 
P 7 HOH   180 480 96  HOH   HOH A . 
P 7 HOH   181 481 110 HOH   HOH A . 
P 7 HOH   182 482 154 HOH   HOH A . 
P 7 HOH   183 483 174 HOH   HOH A . 
P 7 HOH   184 484 149 HOH   HOH A . 
P 7 HOH   185 485 142 HOH   HOH A . 
P 7 HOH   186 486 162 HOH   HOH A . 
P 7 HOH   187 487 25  HOH   HOH A . 
P 7 HOH   188 488 185 HOH   HOH A . 
P 7 HOH   189 489 199 HOH   HOH A . 
P 7 HOH   190 490 151 HOH   HOH A . 
P 7 HOH   191 491 113 HOH   HOH A . 
P 7 HOH   192 492 183 HOH   HOH A . 
P 7 HOH   193 493 215 HOH   HOH A . 
P 7 HOH   194 494 153 HOH   HOH A . 
P 7 HOH   195 495 198 HOH   HOH A . 
P 7 HOH   196 496 118 HOH   HOH A . 
P 7 HOH   197 497 138 HOH   HOH A . 
P 7 HOH   198 498 239 HOH   HOH A . 
P 7 HOH   199 499 159 HOH   HOH A . 
P 7 HOH   200 500 89  HOH   HOH A . 
P 7 HOH   201 501 186 HOH   HOH A . 
P 7 HOH   202 502 241 HOH   HOH A . 
P 7 HOH   203 503 187 HOH   HOH A . 
P 7 HOH   204 504 216 HOH   HOH A . 
P 7 HOH   205 505 238 HOH   HOH A . 
P 7 HOH   206 506 176 HOH   HOH A . 
P 7 HOH   207 507 225 HOH   HOH A . 
P 7 HOH   208 508 155 HOH   HOH A . 
P 7 HOH   209 509 206 HOH   HOH A . 
P 7 HOH   210 510 94  HOH   HOH A . 
P 7 HOH   211 511 65  HOH   HOH A . 
P 7 HOH   212 512 128 HOH   HOH A . 
P 7 HOH   213 513 200 HOH   HOH A . 
P 7 HOH   214 514 178 HOH   HOH A . 
P 7 HOH   215 515 211 HOH   HOH A . 
P 7 HOH   216 516 255 HOH   HOH A . 
P 7 HOH   217 517 80  HOH   HOH A . 
P 7 HOH   218 518 180 HOH   HOH A . 
P 7 HOH   219 519 117 HOH   HOH A . 
P 7 HOH   220 520 115 HOH   HOH A . 
P 7 HOH   221 521 191 HOH   HOH A . 
P 7 HOH   222 522 177 HOH   HOH A . 
P 7 HOH   223 523 156 HOH   HOH A . 
P 7 HOH   224 524 209 HOH   HOH A . 
P 7 HOH   225 525 152 HOH   HOH A . 
P 7 HOH   226 526 189 HOH   HOH A . 
P 7 HOH   227 527 173 HOH   HOH A . 
P 7 HOH   228 528 202 HOH   HOH A . 
P 7 HOH   229 529 240 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 GLN 158 ? OE1 ? A GLN 158 OE1 
2 1 Y 1 A GLN 158 ? NE2 ? A GLN 158 NE2 
# 
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                  90.00 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   90.00 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  90.00 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     9KP7 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     181.335 
_cell.length_a_esd                 ? 
_cell.length_b                     181.335 
_cell.length_b_esd                 ? 
_cell.length_c                     181.335 
_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                         9KP7 
_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                   9KP7 
_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             3.13 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          60.67 
_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             ? 
_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         2021-04-26 
_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                                       9KP7 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.50 
_reflns.d_resolution_low                               19.01 
_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                                     41305 
_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                           100.0 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                9.9 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          23.1 
_reflns.pdbx_res_netI_over_av_sigmaI_2                 ? 
_reflns.pdbx_res_netI_over_sigmaI_2                    ? 
_reflns.pdbx_chi_squared                               0.99 
_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                                0.069 
_reflns.pdbx_Rpim_I_all                                0.021 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       ? 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   0.999 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              0.066 
_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                                    1.50 
_reflns_shell.d_res_low                                     1.53 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           2.7 
_reflns_shell.number_measured_all                           ? 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             2015 
_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                               6.4 
_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                               0.697 
_reflns_shell.pdbx_Rpim_I_all                               0.269 
_reflns_shell.pdbx_rejects                                  ? 
_reflns_shell.pdbx_ordinal                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  0.856 
_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                                  0.641 
_reflns_shell.pdbx_Rsym_value                               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal             ? 
_reflns_shell.pdbx_percent_possible_spherical               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal_anomalous   ? 
_reflns_shell.pdbx_percent_possible_spherical_anomalous     ? 
_reflns_shell.pdbx_redundancy_anomalous                     ? 
_reflns_shell.pdbx_CC_half_anomalous                        ? 
_reflns_shell.pdbx_absDiff_over_sigma_anomalous             ? 
_reflns_shell.pdbx_percent_possible_anomalous               ? 
# 
_refine.aniso_B[1][1]                            ? 
_refine.aniso_B[1][2]                            ? 
_refine.aniso_B[1][3]                            ? 
_refine.aniso_B[2][2]                            ? 
_refine.aniso_B[2][3]                            ? 
_refine.aniso_B[3][3]                            ? 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               ? 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               ? 
_refine.correlation_coeff_Fo_to_Fc_free          ? 
_refine.details                                  ? 
_refine.diff_density_max                         ? 
_refine.diff_density_max_esd                     ? 
_refine.diff_density_min                         ? 
_refine.diff_density_min_esd                     ? 
_refine.diff_density_rms                         ? 
_refine.diff_density_rms_esd                     ? 
_refine.entry_id                                 9KP7 
_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                            1.50 
_refine.ls_d_res_low                             19.01 
_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                     41197 
_refine.ls_number_reflns_R_free                  2082 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.77 
_refine.ls_percent_reflns_R_free                 5.05 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.1789 
_refine.ls_R_factor_R_free                       0.1964 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.1780 
_refine.ls_R_Fsqd_factor_obs                     ? 
_refine.ls_R_I_factor_obs                        ? 
_refine.ls_redundancy_reflns_all                 ? 
_refine.ls_redundancy_reflns_obs                 ? 
_refine.ls_restrained_S_all                      ? 
_refine.ls_restrained_S_obs                      ? 
_refine.ls_shift_over_esd_max                    ? 
_refine.ls_shift_over_esd_mean                   ? 
_refine.ls_structure_factor_coef                 ? 
_refine.ls_weighting_details                     ? 
_refine.ls_weighting_scheme                      ? 
_refine.ls_wR_factor_all                         ? 
_refine.ls_wR_factor_obs                         ? 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_wR_factor_R_work                      ? 
_refine.occupancy_max                            ? 
_refine.occupancy_min                            ? 
_refine.solvent_model_details                    'FLAT BULK SOLVENT MODEL' 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_R_complete                          ? 
_refine.ls_R_factor_gt                           ? 
_refine.ls_goodness_of_fit_gt                    ? 
_refine.ls_goodness_of_fit_ref                   ? 
_refine.ls_shift_over_su_max                     ? 
_refine.ls_shift_over_su_max_lt                  ? 
_refine.ls_shift_over_su_mean                    ? 
_refine.ls_shift_over_su_mean_lt                 ? 
_refine.pdbx_ls_sigma_I                          ? 
_refine.pdbx_ls_sigma_F                          1.34 
_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       ML 
_refine.pdbx_R_Free_selection_details            ? 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_overall_ESU_R                       ? 
_refine.pdbx_overall_ESU_R_Free                  ? 
_refine.pdbx_solvent_vdw_probe_radii             1.10 
_refine.pdbx_solvent_ion_probe_radii             ? 
_refine.pdbx_solvent_shrinkage_radii             0.90 
_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                 19.51 
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI   ? 
_refine.pdbx_overall_SU_R_free_Blow_DPI          ? 
_refine.pdbx_overall_SU_R_Blow_DPI               ? 
_refine.pdbx_TLS_residual_ADP_flag               ? 
_refine.pdbx_diffrn_id                           1 
_refine.overall_SU_B                             ? 
_refine.overall_SU_ML                            0.13 
_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.pdbx_number_atoms_protein        1387 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         57 
_refine_hist.number_atoms_solvent             229 
_refine_hist.number_atoms_total               1673 
_refine_hist.d_res_high                       1.50 
_refine_hist.d_res_low                        19.01 
# 
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' ? 0.016  ? 1557 ? f_bond_d           ? ? 
'X-RAY DIFFRACTION' ? 1.738  ? 2112 ? f_angle_d          ? ? 
'X-RAY DIFFRACTION' ? 13.945 ? 622  ? f_dihedral_angle_d ? ? 
'X-RAY DIFFRACTION' ? 0.098  ? 227  ? f_chiral_restr     ? ? 
'X-RAY DIFFRACTION' ? 0.008  ? 272  ? f_plane_restr      ? ? 
# 
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' 1.50 1.54  . . 133 2570 100.00 . . . . 0.2241 . . . . . . . . . . . 0.2729 
'X-RAY DIFFRACTION' 1.54 1.57  . . 118 2568 100.00 . . . . 0.2152 . . . . . . . . . . . 0.2568 
'X-RAY DIFFRACTION' 1.57 1.62  . . 143 2547 100.00 . . . . 0.2039 . . . . . . . . . . . 0.2550 
'X-RAY DIFFRACTION' 1.62 1.66  . . 138 2565 100.00 . . . . 0.1993 . . . . . . . . . . . 0.2136 
'X-RAY DIFFRACTION' 1.66 1.72  . . 135 2569 100.00 . . . . 0.1915 . . . . . . . . . . . 0.2104 
'X-RAY DIFFRACTION' 1.72 1.78  . . 127 2585 100.00 . . . . 0.1844 . . . . . . . . . . . 0.1942 
'X-RAY DIFFRACTION' 1.78 1.85  . . 137 2574 100.00 . . . . 0.1824 . . . . . . . . . . . 0.2357 
'X-RAY DIFFRACTION' 1.85 1.93  . . 131 2596 100.00 . . . . 0.1802 . . . . . . . . . . . 0.2119 
'X-RAY DIFFRACTION' 1.93 2.04  . . 122 2617 100.00 . . . . 0.1796 . . . . . . . . . . . 0.1937 
'X-RAY DIFFRACTION' 2.04 2.16  . . 153 2558 100.00 . . . . 0.1703 . . . . . . . . . . . 0.1975 
'X-RAY DIFFRACTION' 2.16 2.33  . . 132 2631 100.00 . . . . 0.1689 . . . . . . . . . . . 0.1721 
'X-RAY DIFFRACTION' 2.33 2.56  . . 143 2599 99.00  . . . . 0.1696 . . . . . . . . . . . 0.2083 
'X-RAY DIFFRACTION' 2.56 2.93  . . 148 2630 100.00 . . . . 0.1702 . . . . . . . . . . . 0.1754 
'X-RAY DIFFRACTION' 2.93 3.69  . . 150 2676 100.00 . . . . 0.1647 . . . . . . . . . . . 0.1914 
'X-RAY DIFFRACTION' 3.69 19.01 . . 172 2830 99.00  . . . . 0.1751 . . . . . . . . . . . 0.1718 
# 
_struct.entry_id                     9KP7 
_struct.title                        'Crystal structure of Horse spleen L-ferritin mutant (R59F) 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        9KP7 
_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 4 ? 
K N N 5 ? 
L N N 5 ? 
M N N 5 ? 
N N N 5 ? 
O N N 6 ? 
P 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              9KP7 
_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 
# 
_struct_ref_seq_dif.align_id                     1 
_struct_ref_seq_dif.pdbx_pdb_id_code             9KP7 
_struct_ref_seq_dif.mon_id                       PHE 
_struct_ref_seq_dif.pdbx_pdb_strand_id           A 
_struct_ref_seq_dif.seq_num                      59 
_struct_ref_seq_dif.pdbx_pdb_ins_code            ? 
_struct_ref_seq_dif.pdbx_seq_db_name             UNP 
_struct_ref_seq_dif.pdbx_seq_db_accession_code   P02791 
_struct_ref_seq_dif.db_mon_id                    ARG 
_struct_ref_seq_dif.pdbx_seq_db_seq_num          60 
_struct_ref_seq_dif.details                      'engineered mutation' 
_struct_ref_seq_dif.pdbx_auth_seq_num            59 
_struct_ref_seq_dif.pdbx_ordinal                 1 
# 
_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)' 128640 ? 
1 MORE         -622   ? 
1 'SSA (A^2)'  133300 ? 
# 
_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,O,P 
# 
_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 ? GLY A 156 ? PHE A 133 GLY A 156 1 ? 24 
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 GLU 60  OE1 B ? ? 1_555 G CD . CD ? ? A GLU 60  A CD 206 1_555  ? ? ? ? ? ? ? 2.233 ? ? 
metalc2  metalc ? ? A GLU 60  OE2 B ? ? 1_555 G CD . CD ? ? A GLU 60  A CD 206 1_555  ? ? ? ? ? ? ? 2.496 ? ? 
metalc3  metalc ? ? A GLU 63  OE1 A ? ? 1_555 G CD . CD ? ? A GLU 63  A CD 206 1_555  ? ? ? ? ? ? ? 2.654 ? ? 
metalc4  metalc ? ? A GLU 63  OE1 B ? ? 1_555 G CD . CD ? ? A GLU 63  A CD 206 1_555  ? ? ? ? ? ? ? 2.249 ? ? 
metalc5  metalc ? ? A ASP 80  OD1 ? ? ? 1_555 B CD . CD ? ? A ASP 80  A CD 201 1_555  ? ? ? ? ? ? ? 2.333 ? ? 
metalc6  metalc ? ? A ASP 80  OD2 ? ? ? 1_555 B CD . CD ? ? A ASP 80  A CD 201 1_555  ? ? ? ? ? ? ? 2.344 ? ? 
metalc7  metalc ? ? A ASP 80  OD1 ? ? ? 1_555 B CD . CD ? ? A ASP 80  A CD 201 72_555 ? ? ? ? ? ? ? 2.326 ? ? 
metalc8  metalc ? ? A ASP 80  OD2 ? ? ? 1_555 B CD . CD ? ? A ASP 80  A CD 201 72_555 ? ? ? ? ? ? ? 2.344 ? ? 
metalc9  metalc ? ? A GLU 130 OE1 ? ? ? 1_555 D CD . CD ? ? A GLU 130 A CD 203 1_555  ? ? ? ? ? ? ? 2.338 ? ? 
metalc10 metalc ? ? A GLU 130 OE1 ? ? ? 1_555 D CD . CD ? ? A GLU 130 A CD 203 5_555  ? ? ? ? ? ? ? 2.343 ? ? 
metalc11 metalc ? ? A GLU 130 OE1 ? ? ? 1_555 E CD . CD ? ? A GLU 130 A CD 204 1_555  ? ? ? ? ? ? ? 2.545 ? ? 
metalc12 metalc ? ? A GLU 130 OE1 ? ? ? 1_555 E CD . CD ? ? A GLU 130 A CD 204 5_555  ? ? ? ? ? ? ? 2.515 ? ? 
metalc13 metalc ? ? A HIS 132 NE2 ? ? ? 1_555 F CD . CD ? ? A HIS 132 A CD 205 1_555  ? ? ? ? ? ? ? 2.201 ? ? 
# 
_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  OE1 B A GLU 60  ? A GLU 60  ? 1_555 CD ? G CD . ? A CD 206 ? 1_555 OE2 B A GLU 60  ? A GLU 60  ? 1_555 55.1 ? 
2  OE1 B A GLU 60  ? A GLU 60  ? 1_555 CD ? G CD . ? A CD 206 ? 1_555 OE1 A A GLU 63  ? A GLU 63  ? 1_555 80.4 ? 
3  OE2 B A GLU 60  ? A GLU 60  ? 1_555 CD ? G CD . ? A CD 206 ? 1_555 OE1 A A GLU 63  ? A GLU 63  ? 1_555 58.3 ? 
4  OE1 B A GLU 60  ? A GLU 60  ? 1_555 CD ? G CD . ? A CD 206 ? 1_555 OE1 B A GLU 63  ? A GLU 63  ? 1_555 94.7 ? 
5  OE2 B A GLU 60  ? A GLU 60  ? 1_555 CD ? G CD . ? A CD 206 ? 1_555 OE1 B A GLU 63  ? A GLU 63  ? 1_555 98.6 ? 
6  OE1 A A GLU 63  ? A GLU 63  ? 1_555 CD ? G CD . ? A CD 206 ? 1_555 OE1 B A GLU 63  ? A GLU 63  ? 1_555 41.8 ? 
7  OD1 ? A ASP 80  ? A ASP 80  ? 1_555 CD ? B CD . ? A CD 201 ? 1_555 OD2 ? A ASP 80  ? A ASP 80  ? 1_555 55.2 ? 
8  OD1 ? A ASP 80  ? A ASP 80  ? 1_555 CD ? B CD . ? A CD 201 ? 1_555 OD1 ? A ASP 80  ? A ASP 80  ? 1_555 0.0  ? 
9  OD2 ? A ASP 80  ? A ASP 80  ? 1_555 CD ? B CD . ? A CD 201 ? 1_555 OD1 ? A ASP 80  ? A ASP 80  ? 1_555 55.2 ? 
10 OD1 ? A ASP 80  ? A ASP 80  ? 1_555 CD ? B CD . ? A CD 201 ? 1_555 OD2 ? A ASP 80  ? A ASP 80  ? 1_555 55.2 ? 
11 OD2 ? A ASP 80  ? A ASP 80  ? 1_555 CD ? B CD . ? A CD 201 ? 1_555 OD2 ? A ASP 80  ? A ASP 80  ? 1_555 0.0  ? 
12 OD1 ? A ASP 80  ? A ASP 80  ? 1_555 CD ? B CD . ? A CD 201 ? 1_555 OD2 ? A ASP 80  ? A ASP 80  ? 1_555 55.2 ? 
13 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  ? 
14 OE1 ? A GLU 130 ? A GLU 130 ? 1_555 CD ? E CD . ? A CD 204 ? 1_555 OE1 ? A GLU 130 ? A GLU 130 ? 1_555 0.0  ? 
# 
_pdbx_entry_details.entry_id                   9KP7 
_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_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             -125.70 
_pdbx_validate_torsion.psi             -61.01 
# 
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    201 ? B CD    . 
2 1 A CD    202 ? C CD    . 
3 1 A CD    203 ? D CD    . 
4 1 A A1L52 214 ? O A1L52 . 
5 1 A A1L52 214 ? O A1L52 . 
6 1 A HOH   485 ? P HOH   . 
7 1 A HOH   515 ? P HOH   . 
# 
loop_
_pdbx_distant_solvent_atoms.id 
_pdbx_distant_solvent_atoms.PDB_model_num 
_pdbx_distant_solvent_atoms.auth_atom_id 
_pdbx_distant_solvent_atoms.label_alt_id 
_pdbx_distant_solvent_atoms.auth_asym_id 
_pdbx_distant_solvent_atoms.auth_comp_id 
_pdbx_distant_solvent_atoms.auth_seq_id 
_pdbx_distant_solvent_atoms.PDB_ins_code 
_pdbx_distant_solvent_atoms.neighbor_macromolecule_distance 
_pdbx_distant_solvent_atoms.neighbor_ligand_distance 
1 1 O ? A HOH 527 ? 6.20 . 
2 1 O ? A HOH 528 ? 6.30 . 
3 1 O ? A HOH 529 ? 6.71 . 
# 
_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                    9KP7 
_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]   0.005515 
_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]   0.005515 
_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]   0.005515 
_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   ? 49.384 15.932  22.186 1.00 19.41 ? 1   SER   A N   1 
ATOM   2    C  CA  A SER   A 1 1   ? 50.796 16.460  22.111 0.52 28.87 ? 1   SER   A CA  1 
ATOM   3    C  CA  B SER   A 1 1   ? 50.775 16.450  22.115 0.48 28.86 ? 1   SER   A CA  1 
ATOM   4    C  C   . SER   A 1 1   ? 50.854 17.967  21.876 1.00 28.85 ? 1   SER   A C   1 
ATOM   5    O  O   . SER   A 1 1   ? 49.833 18.677  21.576 1.00 25.28 ? 1   SER   A O   1 
ATOM   6    C  CB  A SER   A 1 1   ? 51.625 15.748  21.083 0.52 28.05 ? 1   SER   A CB  1 
ATOM   7    C  CB  B SER   A 1 1   ? 51.570 15.748  21.051 0.48 28.01 ? 1   SER   A CB  1 
ATOM   8    O  OG  A SER   A 1 1   ? 51.340 16.220  19.774 0.52 18.22 ? 1   SER   A OG  1 
ATOM   9    O  OG  B SER   A 1 1   ? 52.373 14.733  21.631 0.48 22.89 ? 1   SER   A OG  1 
ATOM   10   N  N   . SER   A 1 2   ? 52.103 18.387  21.800 1.00 34.34 ? 2   SER   A N   1 
ATOM   11   C  CA  . SER   A 1 2   ? 52.388 19.824  21.614 1.00 41.11 ? 2   SER   A CA  1 
ATOM   12   C  C   . SER   A 1 2   ? 51.971 20.252  20.212 1.00 32.51 ? 2   SER   A C   1 
ATOM   13   O  O   . SER   A 1 2   ? 51.823 21.456  19.997 1.00 32.64 ? 2   SER   A O   1 
ATOM   14   C  CB  . SER   A 1 2   ? 53.855 20.085  21.885 1.00 44.55 ? 2   SER   A CB  1 
ATOM   15   O  OG  . SER   A 1 2   ? 54.675 19.614  20.824 1.00 57.57 ? 2   SER   A OG  1 
ATOM   16   N  N   . GLN   A 1 3   ? 51.731 19.276  19.321 1.00 28.54 ? 3   GLN   A N   1 
ATOM   17   C  CA  . GLN   A 1 3   ? 51.389 19.637  17.919 1.00 15.72 ? 3   GLN   A CA  1 
ATOM   18   C  C   . GLN   A 1 3   ? 50.011 20.306  17.877 1.00 17.30 ? 3   GLN   A C   1 
ATOM   19   O  O   . GLN   A 1 3   ? 49.802 21.133  17.050 1.00 17.84 ? 3   GLN   A O   1 
ATOM   20   C  CB  . GLN   A 1 3   ? 51.382 18.461  16.949 1.00 19.57 ? 3   GLN   A CB  1 
ATOM   21   C  CG  . GLN   A 1 3   ? 52.722 18.220  16.260 1.00 45.74 ? 3   GLN   A CG  1 
ATOM   22   C  CD  . GLN   A 1 3   ? 52.704 17.188  15.156 1.00 54.61 ? 3   GLN   A CD  1 
ATOM   23   O  OE1 . GLN   A 1 3   ? 51.664 16.637  14.799 1.00 43.48 ? 3   GLN   A OE1 1 
ATOM   24   N  NE2 . GLN   A 1 3   ? 53.870 16.919  14.590 1.00 33.79 ? 3   GLN   A NE2 1 
ATOM   25   N  N   . ILE   A 1 4   ? 49.107 19.900  18.764 1.00 13.17 ? 4   ILE   A N   1 
ATOM   26   C  CA  . ILE   A 1 4   ? 47.764 20.560  18.838 1.00 9.78  ? 4   ILE   A CA  1 
ATOM   27   C  C   . ILE   A 1 4   ? 47.533 21.335  20.154 1.00 9.37  ? 4   ILE   A C   1 
ATOM   28   O  O   . ILE   A 1 4   ? 46.655 22.180  20.180 1.00 11.51 ? 4   ILE   A O   1 
ATOM   29   C  CB  . ILE   A 1 4   ? 46.648 19.499  18.664 1.00 8.50  ? 4   ILE   A CB  1 
ATOM   30   C  CG1 . ILE   A 1 4   ? 46.496 18.610  19.902 1.00 10.29 ? 4   ILE   A CG1 1 
ATOM   31   C  CG2 . ILE   A 1 4   ? 46.872 18.673  17.409 1.00 11.58 ? 4   ILE   A CG2 1 
ATOM   32   C  CD1 . ILE   A 1 4   ? 45.309 17.670  19.847 1.00 13.46 ? 4   ILE   A CD1 1 
ATOM   33   N  N   . ARG   A 1 5   ? 48.290 21.040  21.200 1.00 7.59  ? 5   ARG   A N   1 
ATOM   34   C  CA  . ARG   A 1 5   ? 48.002 21.636  22.532 1.00 8.73  ? 5   ARG   A CA  1 
ATOM   35   C  C   . ARG   A 1 5   ? 48.065 23.169  22.526 1.00 9.21  ? 5   ARG   A C   1 
ATOM   36   O  O   . ARG   A 1 5   ? 49.058 23.701  22.090 1.00 10.31 ? 5   ARG   A O   1 
ATOM   37   C  CB  . ARG   A 1 5   ? 48.976 21.062  23.558 1.00 8.24  ? 5   ARG   A CB  1 
ATOM   38   C  CG  . ARG   A 1 5   ? 48.539 21.281  25.000 1.00 9.52  ? 5   ARG   A CG  1 
ATOM   39   C  CD  . ARG   A 1 5   ? 49.485 20.636  25.990 1.00 14.15 ? 5   ARG   A CD  1 
ATOM   40   N  NE  . ARG   A 1 5   ? 49.062 20.835  27.366 1.00 12.67 ? 5   ARG   A NE  1 
ATOM   41   C  CZ  . ARG   A 1 5   ? 49.263 19.961  28.336 1.00 9.79  ? 5   ARG   A CZ  1 
ATOM   42   N  NH1 . ARG   A 1 5   ? 49.885 18.824  28.082 1.00 10.57 ? 5   ARG   A NH1 1 
ATOM   43   N  NH2 . ARG   A 1 5   ? 48.841 20.224  29.557 1.00 8.43  ? 5   ARG   A NH2 1 
ATOM   44   N  N   . GLN   A 1 6   ? 47.002 23.799  23.018 1.00 7.79  ? 6   GLN   A N   1 
ATOM   45   C  CA  . GLN   A 1 6   ? 46.928 25.273  23.017 1.00 7.38  ? 6   GLN   A CA  1 
ATOM   46   C  C   . GLN   A 1 6   ? 46.021 25.704  24.171 1.00 8.73  ? 6   GLN   A C   1 
ATOM   47   O  O   . GLN   A 1 6   ? 44.912 25.247  24.228 1.00 8.16  ? 6   GLN   A O   1 
ATOM   48   C  CB  . GLN   A 1 6   ? 46.431 25.745  21.641 1.00 6.74  ? 6   GLN   A CB  1 
ATOM   49   C  CG  . GLN   A 1 6   ? 46.533 27.251  21.449 1.00 10.23 ? 6   GLN   A CG  1 
ATOM   50   C  CD  . GLN   A 1 6   ? 46.103 27.686  20.070 1.00 9.86  ? 6   GLN   A CD  1 
ATOM   51   O  OE1 . GLN   A 1 6   ? 45.310 27.030  19.414 1.00 10.34 ? 6   GLN   A OE1 1 
ATOM   52   N  NE2 . GLN   A 1 6   ? 46.624 28.817  19.631 1.00 11.81 ? 6   GLN   A NE2 1 
ATOM   53   N  N   . ASN   A 1 7   ? 46.558 26.553  25.050 1.00 7.36  ? 7   ASN   A N   1 
ATOM   54   C  CA  . ASN   A 1 7   ? 45.779 27.093  26.199 1.00 6.76  ? 7   ASN   A CA  1 
ATOM   55   C  C   . ASN   A 1 7   ? 45.345 25.985  27.150 1.00 8.66  ? 7   ASN   A C   1 
ATOM   56   O  O   . ASN   A 1 7   ? 44.345 26.159  27.783 1.00 8.67  ? 7   ASN   A O   1 
ATOM   57   C  CB  . ASN   A 1 7   ? 44.576 27.919  25.746 1.00 8.74  ? 7   ASN   A CB  1 
ATOM   58   C  CG  . ASN   A 1 7   ? 44.102 28.846  26.839 1.00 8.03  ? 7   ASN   A CG  1 
ATOM   59   O  OD1 . ASN   A 1 7   ? 44.913 29.385  27.581 1.00 10.54 ? 7   ASN   A OD1 1 
ATOM   60   N  ND2 . ASN   A 1 7   ? 42.800 29.018  26.954 1.00 8.33  ? 7   ASN   A ND2 1 
ATOM   61   N  N   . TYR   A 1 8   ? 46.157 24.941  27.235 1.00 7.30  ? 8   TYR   A N   1 
ATOM   62   C  CA  . TYR   A 1 8   ? 45.775 23.783  28.087 1.00 8.20  ? 8   TYR   A CA  1 
ATOM   63   C  C   . TYR   A 1 8   ? 46.863 23.540  29.140 1.00 9.17  ? 8   TYR   A C   1 
ATOM   64   O  O   . TYR   A 1 8   ? 47.890 22.995  28.828 1.00 10.01 ? 8   TYR   A O   1 
ATOM   65   C  CB  . TYR   A 1 8   ? 45.490 22.560  27.207 1.00 7.50  ? 8   TYR   A CB  1 
ATOM   66   C  CG  . TYR   A 1 8   ? 44.752 21.440  27.899 1.00 7.83  ? 8   TYR   A CG  1 
ATOM   67   C  CD1 . TYR   A 1 8   ? 43.480 21.632  28.403 1.00 8.12  ? 8   TYR   A CD1 1 
ATOM   68   C  CD2 . TYR   A 1 8   ? 45.322 20.188  28.052 1.00 8.24  ? 8   TYR   A CD2 1 
ATOM   69   C  CE1 . TYR   A 1 8   ? 42.779 20.612  29.023 1.00 7.65  ? 8   TYR   A CE1 1 
ATOM   70   C  CE2 . TYR   A 1 8   ? 44.640 19.159  28.680 1.00 8.09  ? 8   TYR   A CE2 1 
ATOM   71   C  CZ  . TYR   A 1 8   ? 43.364 19.370  29.168 1.00 6.76  ? 8   TYR   A CZ  1 
ATOM   72   O  OH  . TYR   A 1 8   ? 42.683 18.362  29.785 1.00 9.02  ? 8   TYR   A OH  1 
ATOM   73   N  N   . SER   A 1 9   ? 46.567 23.983  30.346 1.00 7.25  ? 9   SER   A N   1 
ATOM   74   C  CA  . SER   A 1 9   ? 47.598 23.916  31.401 1.00 7.58  ? 9   SER   A CA  1 
ATOM   75   C  C   . SER   A 1 9   ? 47.861 22.508  31.931 1.00 8.42  ? 9   SER   A C   1 
ATOM   76   O  O   . SER   A 1 9   ? 47.009 21.672  31.854 1.00 8.83  ? 9   SER   A O   1 
ATOM   77   C  CB  . SER   A 1 9   ? 47.209 24.829  32.541 1.00 9.68  ? 9   SER   A CB  1 
ATOM   78   O  OG  . SER   A 1 9   ? 46.085 24.320  33.238 1.00 10.86 ? 9   SER   A OG  1 
ATOM   79   N  N   . THR   A 1 10  ? 49.055 22.355  32.480 1.00 11.39 ? 10  THR   A N   1 
ATOM   80   C  CA  . THR   A 1 10  ? 49.408 21.077  33.128 1.00 9.19  ? 10  THR   A CA  1 
ATOM   81   C  C   . THR   A 1 10  ? 48.480 20.856  34.328 1.00 8.17  ? 10  THR   A C   1 
ATOM   82   O  O   . THR   A 1 10  ? 48.186 19.736  34.623 1.00 9.29  ? 10  THR   A O   1 
ATOM   83   C  CB  . THR   A 1 10  ? 50.897 21.107  33.516 1.00 15.57 ? 10  THR   A CB  1 
ATOM   84   O  OG1 . THR   A 1 10  ? 51.105 22.184  34.422 1.00 17.64 ? 10  THR   A OG1 1 
ATOM   85   C  CG2 . THR   A 1 10  ? 51.805 21.258  32.317 1.00 13.99 ? 10  THR   A CG2 1 
ATOM   86   N  N   . GLU   A 1 11  ? 48.082 21.939  34.975 1.00 10.01 ? 11  GLU   A N   1 
ATOM   87   C  CA  . GLU   A 1 11  ? 47.200 21.818  36.165 1.00 8.76  ? 11  GLU   A CA  1 
ATOM   88   C  C   . GLU   A 1 11  ? 45.837 21.233  35.759 1.00 8.60  ? 11  GLU   A C   1 
ATOM   89   O  O   . GLU   A 1 11  ? 45.340 20.361  36.441 1.00 10.01 ? 11  GLU   A O   1 
ATOM   90   C  CB  . GLU   A 1 11  ? 47.030 23.173  36.856 1.00 12.43 ? 11  GLU   A CB  1 
ATOM   91   C  CG  . GLU   A 1 11  ? 48.296 23.686  37.509 1.00 13.18 ? 11  GLU   A CG  1 
ATOM   92   C  CD  . GLU   A 1 11  ? 49.244 24.470  36.618 1.00 18.78 ? 11  GLU   A CD  1 
ATOM   93   O  OE1 . GLU   A 1 11  ? 48.926 24.683  35.445 1.00 12.99 ? 11  GLU   A OE1 1 
ATOM   94   O  OE2 . GLU   A 1 11  ? 50.310 24.856  37.115 1.00 22.46 ? 11  GLU   A OE2 1 
ATOM   95   N  N   . VAL   A 1 12  ? 45.285 21.772  34.689 1.00 7.72  ? 12  VAL   A N   1 
ATOM   96   C  CA  . VAL   A 1 12  ? 43.974 21.253  34.195 1.00 7.55  ? 12  VAL   A CA  1 
ATOM   97   C  C   . VAL   A 1 12  ? 44.137 19.804  33.702 1.00 8.55  ? 12  VAL   A C   1 
ATOM   98   O  O   . VAL   A 1 12  ? 43.306 18.996  34.009 1.00 7.43  ? 12  VAL   A O   1 
ATOM   99   C  CB  . VAL   A 1 12  ? 43.387 22.190  33.123 1.00 7.45  ? 12  VAL   A CB  1 
ATOM   100  C  CG1 . VAL   A 1 12  ? 42.305 21.502  32.304 1.00 8.95  ? 12  VAL   A CG1 1 
ATOM   101  C  CG2 . VAL   A 1 12  ? 42.841 23.461  33.752 1.00 8.86  ? 12  VAL   A CG2 1 
ATOM   102  N  N   . GLU   A 1 13  ? 45.216 19.532  32.980 1.00 6.67  ? 13  GLU   A N   1 
ATOM   103  C  CA  . GLU   A 1 13  ? 45.433 18.161  32.473 1.00 7.35  ? 13  GLU   A CA  1 
ATOM   104  C  C   . GLU   A 1 13  ? 45.421 17.177  33.657 1.00 8.60  ? 13  GLU   A C   1 
ATOM   105  O  O   . GLU   A 1 13  ? 44.815 16.139  33.562 1.00 7.90  ? 13  GLU   A O   1 
ATOM   106  C  CB  . GLU   A 1 13  ? 46.757 18.149  31.693 1.00 7.92  ? 13  GLU   A CB  1 
ATOM   107  C  CG  . GLU   A 1 13  ? 47.186 16.774  31.212 1.00 8.03  ? 13  GLU   A CG  1 
ATOM   108  C  CD  . GLU   A 1 13  ? 48.562 16.773  30.567 1.00 10.75 ? 13  GLU   A CD  1 
ATOM   109  O  OE1 . GLU   A 1 13  ? 49.296 17.751  30.760 1.00 13.37 ? 13  GLU   A OE1 1 
ATOM   110  O  OE2 . GLU   A 1 13  ? 48.896 15.792  29.895 1.00 11.17 ? 13  GLU   A OE2 1 
ATOM   111  N  N   . ALA   A 1 14  ? 46.147 17.521  34.719 1.00 8.00  ? 14  ALA   A N   1 
ATOM   112  C  CA  . ALA   A 1 14  ? 46.226 16.601  35.869 1.00 7.37  ? 14  ALA   A CA  1 
ATOM   113  C  C   . ALA   A 1 14  ? 44.870 16.478  36.572 1.00 7.64  ? 14  ALA   A C   1 
ATOM   114  O  O   . ALA   A 1 14  ? 44.510 15.389  36.989 1.00 8.66  ? 14  ALA   A O   1 
ATOM   115  C  CB  . ALA   A 1 14  ? 47.295 17.103  36.823 1.00 8.50  ? 14  ALA   A CB  1 
ATOM   116  N  N   . ALA   A 1 15  ? 44.178 17.602  36.695 1.00 8.06  ? 15  ALA   A N   1 
ATOM   117  C  CA  . ALA   A 1 15  ? 42.888 17.557  37.408 1.00 8.08  ? 15  ALA   A CA  1 
ATOM   118  C  C   . ALA   A 1 15  ? 41.876 16.749  36.595 1.00 8.63  ? 15  ALA   A C   1 
ATOM   119  O  O   . ALA   A 1 15  ? 41.008 16.152  37.191 1.00 8.58  ? 15  ALA   A O   1 
ATOM   120  C  CB  . ALA   A 1 15  ? 42.401 18.959  37.639 1.00 10.05 ? 15  ALA   A CB  1 
ATOM   121  N  N   . VAL   A 1 16  ? 41.991 16.840  35.267 1.00 7.16  ? 16  VAL   A N   1 
ATOM   122  C  CA  . VAL   A 1 16  ? 41.103 16.013  34.394 1.00 6.86  ? 16  VAL   A CA  1 
ATOM   123  C  C   . VAL   A 1 16  ? 41.374 14.521  34.672 1.00 7.95  ? 16  VAL   A C   1 
ATOM   124  O  O   . VAL   A 1 16  ? 40.447 13.760  34.780 1.00 7.83  ? 16  VAL   A O   1 
ATOM   125  C  CB  . VAL   A 1 16  ? 41.292 16.387  32.907 1.00 6.50  ? 16  VAL   A CB  1 
ATOM   126  C  CG1 . VAL   A 1 16  ? 40.651 15.367  31.978 1.00 8.43  ? 16  VAL   A CG1 1 
ATOM   127  C  CG2 . VAL   A 1 16  ? 40.705 17.767  32.647 1.00 8.77  ? 16  VAL   A CG2 1 
ATOM   128  N  N   . ASN   A 1 17  ? 42.645 14.150  34.763 1.00 7.72  ? 17  ASN   A N   1 
ATOM   129  C  CA  . ASN   A 1 17  ? 42.977 12.731  35.017 1.00 8.17  ? 17  ASN   A CA  1 
ATOM   130  C  C   . ASN   A 1 17  ? 42.437 12.324  36.389 1.00 8.49  ? 17  ASN   A C   1 
ATOM   131  O  O   . ASN   A 1 17  ? 41.963 11.225  36.537 1.00 8.46  ? 17  ASN   A O   1 
ATOM   132  C  CB  . ASN   A 1 17  ? 44.485 12.529  34.913 1.00 7.34  ? 17  ASN   A CB  1 
ATOM   133  C  CG  . ASN   A 1 17  ? 44.963 12.413  33.485 1.00 8.31  ? 17  ASN   A CG  1 
ATOM   134  O  OD1 . ASN   A 1 17  ? 44.234 11.933  32.632 1.00 7.25  ? 17  ASN   A OD1 1 
ATOM   135  N  ND2 . ASN   A 1 17  ? 46.174 12.868  33.227 1.00 9.53  ? 17  ASN   A ND2 1 
ATOM   136  N  N   . ARG   A 1 18  ? 42.538 13.217  37.356 1.00 7.84  ? 18  ARG   A N   1 
ATOM   137  C  CA  A ARG   A 1 18  ? 41.990 12.925  38.713 0.56 9.08  ? 18  ARG   A CA  1 
ATOM   138  C  CA  B ARG   A 1 18  ? 41.991 12.932  38.715 0.44 9.10  ? 18  ARG   A CA  1 
ATOM   139  C  C   . ARG   A 1 18  ? 40.453 12.718  38.683 1.00 10.27 ? 18  ARG   A C   1 
ATOM   140  O  O   . ARG   A 1 18  ? 39.756 11.825  39.302 1.00 10.02 ? 18  ARG   A O   1 
ATOM   141  C  CB  A ARG   A 1 18  ? 42.416 14.035  39.683 0.56 9.92  ? 18  ARG   A CB  1 
ATOM   142  C  CB  B ARG   A 1 18  ? 42.396 14.073  39.660 0.44 9.94  ? 18  ARG   A CB  1 
ATOM   143  C  CG  A ARG   A 1 18  ? 43.832 13.836  40.203 0.56 14.49 ? 18  ARG   A CG  1 
ATOM   144  C  CG  B ARG   A 1 18  ? 41.765 14.000  41.040 0.44 14.52 ? 18  ARG   A CG  1 
ATOM   145  C  CD  A ARG   A 1 18  ? 44.165 14.676  41.416 0.56 18.64 ? 18  ARG   A CD  1 
ATOM   146  C  CD  B ARG   A 1 18  ? 42.193 15.153  41.924 0.44 16.92 ? 18  ARG   A CD  1 
ATOM   147  N  NE  A ARG   A 1 18  ? 44.081 16.081  41.065 0.56 18.03 ? 18  ARG   A NE  1 
ATOM   148  N  NE  B ARG   A 1 18  ? 41.096 15.624  42.755 0.44 27.05 ? 18  ARG   A NE  1 
ATOM   149  C  CZ  A ARG   A 1 18  ? 45.061 16.777  40.508 0.56 13.11 ? 18  ARG   A CZ  1 
ATOM   150  C  CZ  B ARG   A 1 18  ? 40.498 14.893  43.687 0.44 18.79 ? 18  ARG   A CZ  1 
ATOM   151  N  NH1 A ARG   A 1 18  ? 46.225 16.204  40.252 0.56 18.53 ? 18  ARG   A NH1 1 
ATOM   152  N  NH1 B ARG   A 1 18  ? 40.899 13.655  43.917 0.44 24.28 ? 18  ARG   A NH1 1 
ATOM   153  N  NH2 A ARG   A 1 18  ? 44.872 18.048  40.221 0.56 12.33 ? 18  ARG   A NH2 1 
ATOM   154  N  NH2 B ARG   A 1 18  ? 39.506 15.405  44.394 0.44 26.37 ? 18  ARG   A NH2 1 
ATOM   155  N  N   . LEU   A 1 19  ? 39.848 13.563  37.859 1.00 7.87  ? 19  LEU   A N   1 
ATOM   156  C  CA  . LEU   A 1 19  ? 38.362 13.483  37.740 1.00 7.53  ? 19  LEU   A CA  1 
ATOM   157  C  C   . LEU   A 1 19  ? 37.933 12.185  37.030 1.00 8.53  ? 19  LEU   A C   1 
ATOM   158  O  O   . LEU   A 1 19  ? 36.885 11.663  37.350 1.00 8.44  ? 19  LEU   A O   1 
ATOM   159  C  CB  . LEU   A 1 19  ? 37.864 14.736  37.010 1.00 9.33  ? 19  LEU   A CB  1 
ATOM   160  C  CG  . LEU   A 1 19  ? 36.355 14.960  37.044 1.00 10.41 ? 19  LEU   A CG  1 
ATOM   161  C  CD1 . LEU   A 1 19  ? 35.855 15.055  38.475 1.00 10.25 ? 19  LEU   A CD1 1 
ATOM   162  C  CD2 . LEU   A 1 19  ? 35.973 16.203  36.256 1.00 12.51 ? 19  LEU   A CD2 1 
ATOM   163  N  N   . VAL   A 1 20  ? 38.726 11.739  36.062 1.00 7.64  ? 20  VAL   A N   1 
ATOM   164  C  CA  . VAL   A 1 20  ? 38.448 10.415  35.442 1.00 7.94  ? 20  VAL   A CA  1 
ATOM   165  C  C   . VAL   A 1 20  ? 38.476 9.326   36.522 1.00 9.41  ? 20  VAL   A C   1 
ATOM   166  O  O   . VAL   A 1 20  ? 37.616 8.489   36.517 1.00 7.96  ? 20  VAL   A O   1 
ATOM   167  C  CB  . VAL   A 1 20  ? 39.480 10.135  34.337 1.00 6.16  ? 20  VAL   A CB  1 
ATOM   168  C  CG1 . VAL   A 1 20  ? 39.417 8.687   33.876 1.00 7.79  ? 20  VAL   A CG1 1 
ATOM   169  C  CG2 . VAL   A 1 20  ? 39.267 11.060  33.148 1.00 8.16  ? 20  VAL   A CG2 1 
ATOM   170  N  N   . ASN   A 1 21  ? 39.475 9.381   37.388 1.00 8.36  ? 21  ASN   A N   1 
ATOM   171  C  CA  . ASN   A 1 21  ? 39.557 8.408   38.501 1.00 5.72  ? 21  ASN   A CA  1 
ATOM   172  C  C   . ASN   A 1 21  ? 38.278 8.476   39.361 1.00 7.63  ? 21  ASN   A C   1 
ATOM   173  O  O   . ASN   A 1 21  ? 37.761 7.447   39.730 1.00 8.87  ? 21  ASN   A O   1 
ATOM   174  C  CB  . ASN   A 1 21  ? 40.854 8.605   39.300 1.00 9.65  ? 21  ASN   A CB  1 
ATOM   175  C  CG  . ASN   A 1 21  ? 41.140 7.466   40.258 1.00 9.12  ? 21  ASN   A CG  1 
ATOM   176  O  OD1 . ASN   A 1 21  ? 40.780 7.527   41.426 1.00 14.63 ? 21  ASN   A OD1 1 
ATOM   177  N  ND2 . ASN   A 1 21  ? 41.796 6.429   39.772 1.00 10.31 ? 21  ASN   A ND2 1 
ATOM   178  N  N   . LEU   A 1 22  ? 37.845 9.687   39.671 1.00 8.45  ? 22  LEU   A N   1 
ATOM   179  C  CA  . LEU   A 1 22  ? 36.666 9.821   40.562 1.00 7.66  ? 22  LEU   A CA  1 
ATOM   180  C  C   . LEU   A 1 22  ? 35.405 9.262   39.893 1.00 8.07  ? 22  LEU   A C   1 
ATOM   181  O  O   . LEU   A 1 22  ? 34.615 8.645   40.559 1.00 8.96  ? 22  LEU   A O   1 
ATOM   182  C  CB  . LEU   A 1 22  ? 36.482 11.311  40.902 1.00 9.64  ? 22  LEU   A CB  1 
ATOM   183  C  CG  . LEU   A 1 22  ? 37.519 11.907  41.847 1.00 12.03 ? 22  LEU   A CG  1 
ATOM   184  C  CD1 . LEU   A 1 22  ? 37.286 13.398  42.003 1.00 15.57 ? 22  LEU   A CD1 1 
ATOM   185  C  CD2 . LEU   A 1 22  ? 37.461 11.233  43.208 1.00 15.68 ? 22  LEU   A CD2 1 
ATOM   186  N  N   . TYR   A 1 23  ? 35.262 9.519   38.598 1.00 8.32  ? 23  TYR   A N   1 
ATOM   187  C  CA  . TYR   A 1 23  ? 34.088 8.971   37.874 1.00 8.21  ? 23  TYR   A CA  1 
ATOM   188  C  C   . TYR   A 1 23  ? 34.144 7.436   37.771 1.00 9.21  ? 23  TYR   A C   1 
ATOM   189  O  O   . TYR   A 1 23  ? 33.131 6.821   37.898 1.00 8.98  ? 23  TYR   A O   1 
ATOM   190  C  CB  . TYR   A 1 23  ? 33.960 9.663   36.504 1.00 7.88  ? 23  TYR   A CB  1 
ATOM   191  C  CG  . TYR   A 1 23  ? 33.083 10.889  36.576 1.00 7.82  ? 23  TYR   A CG  1 
ATOM   192  C  CD1 . TYR   A 1 23  ? 33.545 12.068  37.138 1.00 9.87  ? 23  TYR   A CD1 1 
ATOM   193  C  CD2 . TYR   A 1 23  ? 31.768 10.851  36.151 1.00 9.28  ? 23  TYR   A CD2 1 
ATOM   194  C  CE1 . TYR   A 1 23  ? 32.732 13.182  37.253 1.00 11.66 ? 23  TYR   A CE1 1 
ATOM   195  C  CE2 . TYR   A 1 23  ? 30.940 11.952  36.261 1.00 8.96  ? 23  TYR   A CE2 1 
ATOM   196  C  CZ  . TYR   A 1 23  ? 31.422 13.122  36.817 1.00 9.70  ? 23  TYR   A CZ  1 
ATOM   197  O  OH  . TYR   A 1 23  ? 30.610 14.211  36.926 1.00 12.45 ? 23  TYR   A OH  1 
ATOM   198  N  N   . LEU   A 1 24  ? 35.332 6.900   37.518 1.00 8.23  ? 24  LEU   A N   1 
ATOM   199  C  CA  . LEU   A 1 24  ? 35.418 5.429   37.426 1.00 8.38  ? 24  LEU   A CA  1 
ATOM   200  C  C   . LEU   A 1 24  ? 35.213 4.817   38.818 1.00 10.25 ? 24  LEU   A C   1 
ATOM   201  O  O   . LEU   A 1 24  ? 34.648 3.754   38.899 1.00 8.52  ? 24  LEU   A O   1 
ATOM   202  C  CB  . LEU   A 1 24  ? 36.780 5.052   36.838 1.00 7.30  ? 24  LEU   A CB  1 
ATOM   203  C  CG  . LEU   A 1 24  ? 36.977 5.356   35.352 1.00 9.33  ? 24  LEU   A CG  1 
ATOM   204  C  CD1 . LEU   A 1 24  ? 38.393 5.002   34.915 1.00 10.71 ? 24  LEU   A CD1 1 
ATOM   205  C  CD2 . LEU   A 1 24  ? 35.955 4.618   34.501 1.00 11.13 ? 24  LEU   A CD2 1 
ATOM   206  N  N   . ARG   A 1 25  ? 35.689 5.510   39.847 1.00 7.45  ? 25  ARG   A N   1 
ATOM   207  C  CA  . ARG   A 1 25  ? 35.407 5.010   41.236 1.00 7.96  ? 25  ARG   A CA  1 
ATOM   208  C  C   . ARG   A 1 25  ? 33.891 4.994   41.556 1.00 9.15  ? 25  ARG   A C   1 
ATOM   209  O  O   . ARG   A 1 25  ? 33.276 4.118   42.201 1.00 9.60  ? 25  ARG   A O   1 
ATOM   210  C  CB  . ARG   A 1 25  ? 36.080 5.910   42.277 1.00 11.22 ? 25  ARG   A CB  1 
ATOM   211  C  CG  . ARG   A 1 25  ? 37.555 5.638   42.535 1.00 15.09 ? 25  ARG   A CG  1 
ATOM   212  C  CD  . ARG   A 1 25  ? 38.135 6.714   43.438 1.00 15.56 ? 25  ARG   A CD  1 
ATOM   213  N  NE  . ARG   A 1 25  ? 37.417 6.880   44.697 1.00 24.48 ? 25  ARG   A NE  1 
ATOM   214  C  CZ  . ARG   A 1 25  ? 37.682 7.816   45.605 1.00 30.47 ? 25  ARG   A CZ  1 
ATOM   215  N  NH1 . ARG   A 1 25  ? 38.660 8.679   45.404 1.00 24.31 ? 25  ARG   A NH1 1 
ATOM   216  N  NH2 . ARG   A 1 25  ? 36.972 7.879   46.720 1.00 32.68 ? 25  ARG   A NH2 1 
ATOM   217  N  N   . ALA   A 1 26  ? 33.265 6.065   41.046 1.00 8.65  ? 26  ALA   A N   1 
ATOM   218  C  CA  . ALA   A 1 26  ? 31.808 6.214   41.263 1.00 7.56  ? 26  ALA   A CA  1 
ATOM   219  C  C   . ALA   A 1 26  ? 31.068 5.128   40.474 1.00 7.59  ? 26  ALA   A C   1 
ATOM   220  O  O   . ALA   A 1 26  ? 30.139 4.540   40.995 1.00 8.20  ? 26  ALA   A O   1 
ATOM   221  C  CB  . ALA   A 1 26  ? 31.355 7.606   40.852 1.00 7.61  ? 26  ALA   A CB  1 
ATOM   222  N  N   . SER   A 1 27  ? 31.519 4.880   39.257 1.00 7.97  ? 27  SER   A N   1 
ATOM   223  C  CA  . SER   A 1 27  ? 30.917 3.778   38.454 1.00 7.44  ? 27  SER   A CA  1 
ATOM   224  C  C   . SER   A 1 27  ? 31.031 2.455   39.233 1.00 9.53  ? 27  SER   A C   1 
ATOM   225  O  O   . SER   A 1 27  ? 30.089 1.694   39.270 1.00 7.58  ? 27  SER   A O   1 
ATOM   226  C  CB  . SER   A 1 27  ? 31.625 3.716   37.099 1.00 8.89  ? 27  SER   A CB  1 
ATOM   227  O  OG  . SER   A 1 27  ? 31.058 2.737   36.254 1.00 9.85  ? 27  SER   A OG  1 
ATOM   228  N  N   . TYR   A 1 28  ? 32.210 2.227   39.799 1.00 7.91  ? 28  TYR   A N   1 
ATOM   229  C  CA  . TYR   A 1 28  ? 32.453 0.959   40.532 1.00 6.83  ? 28  TYR   A CA  1 
ATOM   230  C  C   . TYR   A 1 28  ? 31.557 0.878   41.772 1.00 8.01  ? 28  TYR   A C   1 
ATOM   231  O  O   . TYR   A 1 28  ? 31.072 -0.176  42.089 1.00 7.58  ? 28  TYR   A O   1 
ATOM   232  C  CB  . TYR   A 1 28  ? 33.934 0.955   40.931 1.00 7.14  ? 28  TYR   A CB  1 
ATOM   233  C  CG  . TYR   A 1 28  ? 34.581 -0.360  41.276 1.00 6.56  ? 28  TYR   A CG  1 
ATOM   234  C  CD1 . TYR   A 1 28  ? 34.006 -1.572  40.941 1.00 10.66 ? 28  TYR   A CD1 1 
ATOM   235  C  CD2 . TYR   A 1 28  ? 35.800 -0.378  41.926 1.00 8.67  ? 28  TYR   A CD2 1 
ATOM   236  C  CE1 . TYR   A 1 28  ? 34.629 -2.769  41.254 1.00 8.94  ? 28  TYR   A CE1 1 
ATOM   237  C  CE2 . TYR   A 1 28  ? 36.434 -1.565  42.247 1.00 9.30  ? 28  TYR   A CE2 1 
ATOM   238  C  CZ  . TYR   A 1 28  ? 35.846 -2.766  41.907 1.00 7.90  ? 28  TYR   A CZ  1 
ATOM   239  O  OH  . TYR   A 1 28  ? 36.460 -3.943  42.215 1.00 8.80  ? 28  TYR   A OH  1 
ATOM   240  N  N   . THR   A 1 29  ? 31.399 2.014   42.454 1.00 7.99  ? 29  THR   A N   1 
ATOM   241  C  CA  . THR   A 1 29  ? 30.489 2.056   43.628 1.00 7.23  ? 29  THR   A CA  1 
ATOM   242  C  C   . THR   A 1 29  ? 29.065 1.675   43.193 1.00 6.55  ? 29  THR   A C   1 
ATOM   243  O  O   . THR   A 1 29  ? 28.411 0.915   43.878 1.00 7.78  ? 29  THR   A O   1 
ATOM   244  C  CB  . THR   A 1 29  ? 30.561 3.450   44.272 1.00 7.83  ? 29  THR   A CB  1 
ATOM   245  O  OG1 . THR   A 1 29  ? 31.877 3.657   44.795 1.00 8.91  ? 29  THR   A OG1 1 
ATOM   246  C  CG2 . THR   A 1 29  ? 29.541 3.628   45.373 1.00 8.18  ? 29  THR   A CG2 1 
ATOM   247  N  N   . TYR   A 1 30  ? 28.648 2.217   42.056 1.00 6.93  ? 30  TYR   A N   1 
ATOM   248  C  CA  . TYR   A 1 30  ? 27.263 1.944   41.604 1.00 8.16  ? 30  TYR   A CA  1 
ATOM   249  C  C   . TYR   A 1 30  ? 27.115 0.487   41.127 1.00 6.50  ? 30  TYR   A C   1 
ATOM   250  O  O   . TYR   A 1 30  ? 26.042 -0.059  41.263 1.00 7.91  ? 30  TYR   A O   1 
ATOM   251  C  CB  . TYR   A 1 30  ? 26.825 2.971   40.548 1.00 6.54  ? 30  TYR   A CB  1 
ATOM   252  C  CG  . TYR   A 1 30  ? 26.499 4.321   41.127 1.00 6.91  ? 30  TYR   A CG  1 
ATOM   253  C  CD1 . TYR   A 1 30  ? 25.627 4.434   42.191 1.00 9.12  ? 30  TYR   A CD1 1 
ATOM   254  C  CD2 . TYR   A 1 30  ? 27.069 5.477   40.625 1.00 8.51  ? 30  TYR   A CD2 1 
ATOM   255  C  CE1 . TYR   A 1 30  ? 25.322 5.661   42.748 1.00 9.95  ? 30  TYR   A CE1 1 
ATOM   256  C  CE2 . TYR   A 1 30  ? 26.772 6.716   41.169 1.00 9.47  ? 30  TYR   A CE2 1 
ATOM   257  C  CZ  . TYR   A 1 30  ? 25.891 6.807   42.230 1.00 9.76  ? 30  TYR   A CZ  1 
ATOM   258  O  OH  . TYR   A 1 30  ? 25.573 8.009   42.788 1.00 10.81 ? 30  TYR   A OH  1 
ATOM   259  N  N   . LEU   A 1 31  ? 28.189 -0.078  40.579 1.00 6.63  ? 31  LEU   A N   1 
ATOM   260  C  CA  . LEU   A 1 31  ? 28.125 -1.520  40.231 1.00 6.70  ? 31  LEU   A CA  1 
ATOM   261  C  C   . LEU   A 1 31  ? 27.876 -2.315  41.525 1.00 6.50  ? 31  LEU   A C   1 
ATOM   262  O  O   . LEU   A 1 31  ? 27.093 -3.247  41.499 1.00 8.07  ? 31  LEU   A O   1 
ATOM   263  C  CB  . LEU   A 1 31  ? 29.465 -1.920  39.587 1.00 6.40  ? 31  LEU   A CB  1 
ATOM   264  C  CG  . LEU   A 1 31  ? 29.608 -3.367  39.133 1.00 8.81  ? 31  LEU   A CG  1 
ATOM   265  C  CD1 . LEU   A 1 31  ? 28.693 -3.632  37.952 1.00 9.95  ? 31  LEU   A CD1 1 
ATOM   266  C  CD2 . LEU   A 1 31  ? 31.053 -3.647  38.749 1.00 8.46  ? 31  LEU   A CD2 1 
ATOM   267  N  N   . SER   A 1 32  ? 28.600 -1.979  42.581 1.00 7.13  ? 32  SER   A N   1 
ATOM   268  C  CA  . SER   A 1 32  ? 28.452 -2.724  43.857 1.00 5.84  ? 32  SER   A CA  1 
ATOM   269  C  C   . SER   A 1 32  ? 27.060 -2.502  44.456 1.00 7.63  ? 32  SER   A C   1 
ATOM   270  O  O   . SER   A 1 32  ? 26.454 -3.442  44.912 1.00 9.14  ? 32  SER   A O   1 
ATOM   271  C  CB  . SER   A 1 32  ? 29.533 -2.295  44.832 1.00 7.13  ? 32  SER   A CB  1 
ATOM   272  O  OG  . SER   A 1 32  ? 29.334 -2.874  46.105 1.00 8.20  ? 32  SER   A OG  1 
ATOM   273  N  N   . LEU   A 1 33  ? 26.591 -1.265  44.405 1.00 7.62  ? 33  LEU   A N   1 
ATOM   274  C  CA  . LEU   A 1 33  ? 25.219 -1.003  44.893 1.00 7.75  ? 33  LEU   A CA  1 
ATOM   275  C  C   . LEU   A 1 33  ? 24.200 -1.809  44.079 1.00 7.56  ? 33  LEU   A C   1 
ATOM   276  O  O   . LEU   A 1 33  ? 23.311 -2.406  44.661 1.00 7.52  ? 33  LEU   A O   1 
ATOM   277  C  CB  . LEU   A 1 33  ? 24.973 0.499   44.721 1.00 7.90  ? 33  LEU   A CB  1 
ATOM   278  C  CG  . LEU   A 1 33  ? 25.392 1.361   45.909 1.00 7.74  ? 33  LEU   A CG  1 
ATOM   279  C  CD1 . LEU   A 1 33  ? 25.577 2.812   45.479 1.00 8.61  ? 33  LEU   A CD1 1 
ATOM   280  C  CD2 . LEU   A 1 33  ? 24.356 1.263   47.017 1.00 9.21  ? 33  LEU   A CD2 1 
ATOM   281  N  N   . GLY   A 1 34  ? 24.359 -1.795  42.765 1.00 7.35  ? 34  GLY   A N   1 
ATOM   282  C  CA  . GLY   A 1 34  ? 23.354 -2.488  41.936 1.00 8.39  ? 34  GLY   A CA  1 
ATOM   283  C  C   . GLY   A 1 34  ? 23.273 -3.983  42.246 1.00 8.22  ? 34  GLY   A C   1 
ATOM   284  O  O   . GLY   A 1 34  ? 22.203 -4.499  42.423 1.00 8.88  ? 34  GLY   A O   1 
ATOM   285  N  N   . PHE   A 1 35  ? 24.426 -4.619  42.348 1.00 8.11  ? 35  PHE   A N   1 
ATOM   286  C  CA  . PHE   A 1 35  ? 24.421 -6.088  42.549 1.00 7.83  ? 35  PHE   A CA  1 
ATOM   287  C  C   . PHE   A 1 35  ? 24.029 -6.449  43.990 1.00 7.85  ? 35  PHE   A C   1 
ATOM   288  O  O   . PHE   A 1 35  ? 23.498 -7.512  44.179 1.00 9.05  ? 35  PHE   A O   1 
ATOM   289  C  CB  . PHE   A 1 35  ? 25.745 -6.690  42.044 1.00 7.22  ? 35  PHE   A CB  1 
ATOM   290  C  CG  . PHE   A 1 35  ? 25.671 -6.926  40.558 1.00 6.24  ? 35  PHE   A CG  1 
ATOM   291  C  CD1 . PHE   A 1 35  ? 25.004 -8.030  40.056 1.00 7.96  ? 35  PHE   A CD1 1 
ATOM   292  C  CD2 . PHE   A 1 35  ? 26.169 -5.996  39.663 1.00 9.18  ? 35  PHE   A CD2 1 
ATOM   293  C  CE1 . PHE   A 1 35  ? 24.879 -8.220  38.692 1.00 10.02 ? 35  PHE   A CE1 1 
ATOM   294  C  CE2 . PHE   A 1 35  ? 26.043 -6.187  38.296 1.00 10.04 ? 35  PHE   A CE2 1 
ATOM   295  C  CZ  . PHE   A 1 35  ? 25.399 -7.300  37.814 1.00 10.21 ? 35  PHE   A CZ  1 
ATOM   296  N  N   . TYR   A 1 36  ? 24.271 -5.539  44.932 1.00 7.28  ? 36  TYR   A N   1 
ATOM   297  C  CA  . TYR   A 1 36  ? 23.776 -5.781  46.305 1.00 6.79  ? 36  TYR   A CA  1 
ATOM   298  C  C   . TYR   A 1 36  ? 22.245 -5.926  46.273 1.00 7.27  ? 36  TYR   A C   1 
ATOM   299  O  O   . TYR   A 1 36  ? 21.717 -6.793  46.937 1.00 6.67  ? 36  TYR   A O   1 
ATOM   300  C  CB  . TYR   A 1 36  ? 24.238 -4.640  47.226 1.00 6.62  ? 36  TYR   A CB  1 
ATOM   301  C  CG  . TYR   A 1 36  ? 23.544 -4.582  48.559 1.00 6.93  ? 36  TYR   A CG  1 
ATOM   302  C  CD1 . TYR   A 1 36  ? 23.925 -5.423  49.586 1.00 8.21  ? 36  TYR   A CD1 1 
ATOM   303  C  CD2 . TYR   A 1 36  ? 22.505 -3.698  48.788 1.00 8.49  ? 36  TYR   A CD2 1 
ATOM   304  C  CE1 . TYR   A 1 36  ? 23.292 -5.386  50.815 1.00 7.15  ? 36  TYR   A CE1 1 
ATOM   305  C  CE2 . TYR   A 1 36  ? 21.858 -3.652  50.008 1.00 8.30  ? 36  TYR   A CE2 1 
ATOM   306  C  CZ  . TYR   A 1 36  ? 22.255 -4.499  51.024 1.00 8.72  ? 36  TYR   A CZ  1 
ATOM   307  O  OH  . TYR   A 1 36  ? 21.619 -4.454  52.227 1.00 9.76  ? 36  TYR   A OH  1 
ATOM   308  N  N   . PHE   A 1 37  ? 21.583 -5.072  45.491 1.00 8.24  ? 37  PHE   A N   1 
ATOM   309  C  CA  . PHE   A 1 37  ? 20.091 -5.060  45.483 1.00 7.42  ? 37  PHE   A CA  1 
ATOM   310  C  C   . PHE   A 1 37  ? 19.558 -6.235  44.656 1.00 7.40  ? 37  PHE   A C   1 
ATOM   311  O  O   . PHE   A 1 37  ? 18.366 -6.492  44.724 1.00 8.04  ? 37  PHE   A O   1 
ATOM   312  C  CB  . PHE   A 1 37  ? 19.539 -3.671  45.109 1.00 8.79  ? 37  PHE   A CB  1 
ATOM   313  C  CG  . PHE   A 1 37  ? 19.606 -2.678  46.240 1.00 6.88  ? 37  PHE   A CG  1 
ATOM   314  C  CD1 . PHE   A 1 37  ? 18.651 -2.681  47.242 1.00 6.98  ? 37  PHE   A CD1 1 
ATOM   315  C  CD2 . PHE   A 1 37  ? 20.637 -1.757  46.319 1.00 6.59  ? 37  PHE   A CD2 1 
ATOM   316  C  CE1 . PHE   A 1 37  ? 18.725 -1.785  48.295 1.00 7.42  ? 37  PHE   A CE1 1 
ATOM   317  C  CE2 . PHE   A 1 37  ? 20.708 -0.860  47.371 1.00 6.96  ? 37  PHE   A CE2 1 
ATOM   318  C  CZ  . PHE   A 1 37  ? 19.754 -0.876  48.359 1.00 6.41  ? 37  PHE   A CZ  1 
ATOM   319  N  N   . ASP   A 1 38  ? 20.437 -6.922  43.938 1.00 6.97  ? 38  ASP   A N   1 
ATOM   320  C  CA  . ASP   A 1 38  ? 20.059 -8.150  43.199 1.00 7.24  ? 38  ASP   A CA  1 
ATOM   321  C  C   . ASP   A 1 38  ? 20.271 -9.415  44.058 1.00 6.29  ? 38  ASP   A C   1 
ATOM   322  O  O   . ASP   A 1 38  ? 19.921 -10.490 43.621 1.00 8.78  ? 38  ASP   A O   1 
ATOM   323  C  CB  . ASP   A 1 38  ? 20.835 -8.194  41.880 1.00 7.53  ? 38  ASP   A CB  1 
ATOM   324  C  CG  . ASP   A 1 38  ? 20.587 -9.449  41.066 1.00 10.45 ? 38  ASP   A CG  1 
ATOM   325  O  OD1 . ASP   A 1 38  ? 19.439 -9.659  40.670 1.00 12.96 ? 38  ASP   A OD1 1 
ATOM   326  O  OD2 . ASP   A 1 38  ? 21.546 -10.190 40.848 1.00 9.33  ? 38  ASP   A OD2 1 
ATOM   327  N  N   . ARG   A 1 39  ? 20.809 -9.257  45.261 1.00 6.04  ? 39  ARG   A N   1 
ATOM   328  C  CA  . ARG   A 1 39  ? 20.953 -10.424 46.156 1.00 7.45  ? 39  ARG   A CA  1 
ATOM   329  C  C   . ARG   A 1 39  ? 19.565 -11.014 46.416 1.00 9.38  ? 39  ARG   A C   1 
ATOM   330  O  O   . ARG   A 1 39  ? 18.624 -10.277 46.589 1.00 7.63  ? 39  ARG   A O   1 
ATOM   331  C  CB  . ARG   A 1 39  ? 21.576 -10.025 47.493 1.00 6.88  ? 39  ARG   A CB  1 
ATOM   332  C  CG  . ARG   A 1 39  ? 23.073 -9.766  47.419 1.00 8.53  ? 39  ARG   A CG  1 
ATOM   333  C  CD  . ARG   A 1 39  ? 23.652 -9.152  48.676 1.00 9.29  ? 39  ARG   A CD  1 
ATOM   334  N  NE  . ARG   A 1 39  ? 23.210 -9.741  49.932 1.00 15.27 ? 39  ARG   A NE  1 
ATOM   335  C  CZ  . ARG   A 1 39  ? 23.821 -9.563  51.099 1.00 16.60 ? 39  ARG   A CZ  1 
ATOM   336  N  NH1 . ARG   A 1 39  ? 24.922 -8.833  51.176 1.00 17.37 ? 39  ARG   A NH1 1 
ATOM   337  N  NH2 . ARG   A 1 39  ? 23.342 -10.133 52.189 1.00 18.77 ? 39  ARG   A NH2 1 
ATOM   338  N  N   . ASP   A 1 40  ? 19.536 -12.337 46.561 1.00 7.14  ? 40  ASP   A N   1 
ATOM   339  C  CA  . ASP   A 1 40  ? 18.239 -13.001 46.842 1.00 7.58  ? 40  ASP   A CA  1 
ATOM   340  C  C   . ASP   A 1 40  ? 17.670 -12.561 48.196 1.00 7.43  ? 40  ASP   A C   1 
ATOM   341  O  O   . ASP   A 1 40  ? 16.467 -12.639 48.363 1.00 9.49  ? 40  ASP   A O   1 
ATOM   342  C  CB  . ASP   A 1 40  ? 18.336 -14.531 46.777 1.00 8.22  ? 40  ASP   A CB  1 
ATOM   343  C  CG  . ASP   A 1 40  ? 19.067 -15.167 47.944 1.00 9.63  ? 40  ASP   A CG  1 
ATOM   344  O  OD1 . ASP   A 1 40  ? 18.400 -15.506 48.928 1.00 10.51 ? 40  ASP   A OD1 1 
ATOM   345  O  OD2 . ASP   A 1 40  ? 20.289 -15.329 47.843 1.00 10.41 ? 40  ASP   A OD2 1 
ATOM   346  N  N   . ASP   A 1 41  ? 18.524 -12.095 49.096 1.00 7.19  ? 41  ASP   A N   1 
ATOM   347  C  CA  . ASP   A 1 41  ? 18.067 -11.684 50.452 1.00 9.47  ? 41  ASP   A CA  1 
ATOM   348  C  C   . ASP   A 1 41  ? 17.833 -10.169 50.525 1.00 8.49  ? 41  ASP   A C   1 
ATOM   349  O  O   . ASP   A 1 41  ? 17.666 -9.673  51.630 1.00 8.75  ? 41  ASP   A O   1 
ATOM   350  C  CB  . ASP   A 1 41  ? 19.003 -12.206 51.537 1.00 8.57  ? 41  ASP   A CB  1 
ATOM   351  C  CG  . ASP   A 1 41  ? 20.438 -11.737 51.420 1.00 9.94  ? 41  ASP   A CG  1 
ATOM   352  O  OD1 . ASP   A 1 41  ? 20.751 -11.063 50.443 1.00 11.42 ? 41  ASP   A OD1 1 
ATOM   353  O  OD2 . ASP   A 1 41  ? 21.215 -12.072 52.313 1.00 13.29 ? 41  ASP   A OD2 1 
ATOM   354  N  N   . VAL   A 1 42  ? 17.865 -9.492  49.382 1.00 7.77  ? 42  VAL   A N   1 
ATOM   355  C  CA  . VAL   A 1 42  ? 17.576 -8.024  49.307 1.00 8.64  ? 42  VAL   A CA  1 
ATOM   356  C  C   . VAL   A 1 42  ? 16.469 -7.888  48.264 1.00 7.79  ? 42  VAL   A C   1 
ATOM   357  O  O   . VAL   A 1 42  ? 15.398 -7.452  48.621 1.00 8.63  ? 42  VAL   A O   1 
ATOM   358  C  CB  . VAL   A 1 42  ? 18.848 -7.250  48.916 1.00 7.55  ? 42  VAL   A CB  1 
ATOM   359  C  CG1 . VAL   A 1 42  ? 18.560 -5.762  48.756 1.00 8.41  ? 42  VAL   A CG1 1 
ATOM   360  C  CG2 . VAL   A 1 42  ? 19.973 -7.447  49.924 1.00 8.73  ? 42  VAL   A CG2 1 
ATOM   361  N  N   . ALA   A 1 43  ? 16.739 -8.297  47.034 1.00 7.34  ? 43  ALA   A N   1 
ATOM   362  C  CA  . ALA   A 1 43  ? 15.681 -8.491  46.020 1.00 6.11  ? 43  ALA   A CA  1 
ATOM   363  C  C   . ALA   A 1 43  ? 14.802 -7.261  45.774 1.00 6.94  ? 43  ALA   A C   1 
ATOM   364  O  O   . ALA   A 1 43  ? 13.622 -7.360  45.907 1.00 8.25  ? 43  ALA   A O   1 
ATOM   365  C  CB  . ALA   A 1 43  ? 14.875 -9.724  46.402 1.00 9.07  ? 43  ALA   A CB  1 
ATOM   366  N  N   . LEU   A 1 44  ? 15.418 -6.173  45.351 1.00 7.24  ? 44  LEU   A N   1 
ATOM   367  C  CA  . LEU   A 1 44  ? 14.671 -4.938  44.998 1.00 6.15  ? 44  LEU   A CA  1 
ATOM   368  C  C   . LEU   A 1 44  ? 15.128 -4.583  43.584 1.00 6.12  ? 44  LEU   A C   1 
ATOM   369  O  O   . LEU   A 1 44  ? 16.061 -3.824  43.427 1.00 7.72  ? 44  LEU   A O   1 
ATOM   370  C  CB  . LEU   A 1 44  ? 14.962 -3.845  46.034 1.00 6.24  ? 44  LEU   A CB  1 
ATOM   371  C  CG  . LEU   A 1 44  ? 14.347 -4.123  47.404 1.00 6.64  ? 44  LEU   A CG  1 
ATOM   372  C  CD1 . LEU   A 1 44  ? 14.966 -3.245  48.479 1.00 8.00  ? 44  LEU   A CD1 1 
ATOM   373  C  CD2 . LEU   A 1 44  ? 12.837 -3.948  47.361 1.00 10.01 ? 44  LEU   A CD2 1 
ATOM   374  N  N   . GLU   A 1 45  ? 14.442 -5.132  42.591 1.00 6.57  ? 45  GLU   A N   1 
ATOM   375  C  CA  . GLU   A 1 45  ? 14.881 -4.983  41.182 1.00 8.73  ? 45  GLU   A CA  1 
ATOM   376  C  C   . GLU   A 1 45  ? 14.977 -3.522  40.737 1.00 8.46  ? 45  GLU   A C   1 
ATOM   377  O  O   . GLU   A 1 45  ? 15.881 -3.183  40.039 1.00 7.81  ? 45  GLU   A O   1 
ATOM   378  C  CB  . GLU   A 1 45  ? 13.910 -5.767  40.292 1.00 10.94 ? 45  GLU   A CB  1 
ATOM   379  C  CG  . GLU   A 1 45  ? 14.267 -5.689  38.820 1.00 13.41 ? 45  GLU   A CG  1 
ATOM   380  C  CD  . GLU   A 1 45  ? 13.398 -6.510  37.882 1.00 30.79 ? 45  GLU   A CD  1 
ATOM   381  O  OE1 . GLU   A 1 45  ? 12.775 -7.474  38.354 1.00 20.85 ? 45  GLU   A OE1 1 
ATOM   382  O  OE2 . GLU   A 1 45  ? 13.359 -6.181  36.683 1.00 31.23 ? 45  GLU   A OE2 1 
ATOM   383  N  N   . GLY   A 1 46  ? 13.986 -2.737  41.095 1.00 6.88  ? 46  GLY   A N   1 
ATOM   384  C  CA  . GLY   A 1 46  ? 14.041 -1.332  40.665 1.00 7.89  ? 46  GLY   A CA  1 
ATOM   385  C  C   . GLY   A 1 46  ? 15.254 -0.603  41.210 1.00 6.41  ? 46  GLY   A C   1 
ATOM   386  O  O   . GLY   A 1 46  ? 15.753 0.278   40.533 1.00 8.37  ? 46  GLY   A O   1 
ATOM   387  N  N   . VAL   A 1 47  ? 15.613 -0.926  42.434 1.00 7.34  ? 47  VAL   A N   1 
ATOM   388  C  CA  . VAL   A 1 47  ? 16.788 -0.260  43.050 1.00 5.86  ? 47  VAL   A CA  1 
ATOM   389  C  C   . VAL   A 1 47  ? 18.067 -0.750  42.361 1.00 7.95  ? 47  VAL   A C   1 
ATOM   390  O  O   . VAL   A 1 47  ? 18.943 0.031   42.068 1.00 7.61  ? 47  VAL   A O   1 
ATOM   391  C  CB  . VAL   A 1 47  ? 16.815 -0.559  44.561 1.00 6.67  ? 47  VAL   A CB  1 
ATOM   392  C  CG1 . VAL   A 1 47  ? 17.895 0.250   45.261 1.00 6.87  ? 47  VAL   A CG1 1 
ATOM   393  C  CG2 . VAL   A 1 47  ? 15.469 -0.277  45.216 1.00 7.92  ? 47  VAL   A CG2 1 
ATOM   394  N  N   . CYS   A 1 48  ? 18.125 -2.041  42.112 1.00 7.54  ? 48  CYS   A N   1 
ATOM   395  C  CA  . CYS   A 1 48  ? 19.265 -2.601  41.367 1.00 8.69  ? 48  CYS   A CA  1 
ATOM   396  C  C   . CYS   A 1 48  ? 19.399 -1.894  40.013 1.00 7.81  ? 48  CYS   A C   1 
ATOM   397  O  O   . CYS   A 1 48  ? 20.500 -1.512  39.659 1.00 8.19  ? 48  CYS   A O   1 
ATOM   398  C  CB  . CYS   A 1 48  ? 18.989 -4.092  41.226 1.00 6.51  ? 48  CYS   A CB  1 
ATOM   399  S  SG  . CYS   A 1 48  ? 20.063 -4.893  39.997 1.00 9.86  ? 48  CYS   A SG  1 
ATOM   400  N  N   . HIS   A 1 49  ? 18.303 -1.799  39.276 1.00 6.98  ? 49  HIS   A N   1 
ATOM   401  C  CA  . HIS   A 1 49  ? 18.388 -1.158  37.940 1.00 7.28  ? 49  HIS   A CA  1 
ATOM   402  C  C   . HIS   A 1 49  ? 18.768 0.326   38.026 1.00 7.43  ? 49  HIS   A C   1 
ATOM   403  O  O   . HIS   A 1 49  ? 19.512 0.787   37.205 1.00 8.04  ? 49  HIS   A O   1 
ATOM   404  C  CB  . HIS   A 1 49  ? 17.067 -1.383  37.192 1.00 10.62 ? 49  HIS   A CB  1 
ATOM   405  C  CG  . HIS   A 1 49  ? 17.062 -2.753  36.606 1.00 22.30 ? 49  HIS   A CG  1 
ATOM   406  N  ND1 . HIS   A 1 49  ? 17.480 -3.011  35.319 1.00 37.65 ? 49  HIS   A ND1 1 
ATOM   407  C  CD2 . HIS   A 1 49  ? 16.794 -3.950  37.161 1.00 29.38 ? 49  HIS   A CD2 1 
ATOM   408  C  CE1 . HIS   A 1 49  ? 17.417 -4.305  35.092 1.00 37.18 ? 49  HIS   A CE1 1 
ATOM   409  N  NE2 . HIS   A 1 49  ? 16.991 -4.901  36.207 1.00 26.24 ? 49  HIS   A NE2 1 
ATOM   410  N  N   . PHE   A 1 50  ? 18.259 0.993   39.032 1.00 8.14  ? 50  PHE   A N   1 
ATOM   411  C  CA  . PHE   A 1 50  ? 18.632 2.415   39.213 1.00 8.34  ? 50  PHE   A CA  1 
ATOM   412  C  C   . PHE   A 1 50  ? 20.156 2.551   39.317 1.00 5.69  ? 50  PHE   A C   1 
ATOM   413  O  O   . PHE   A 1 50  ? 20.734 3.380   38.676 1.00 7.20  ? 50  PHE   A O   1 
ATOM   414  C  CB  . PHE   A 1 50  ? 17.901 2.965   40.444 1.00 6.83  ? 50  PHE   A CB  1 
ATOM   415  C  CG  . PHE   A 1 50  ? 18.180 4.406   40.784 1.00 8.00  ? 50  PHE   A CG  1 
ATOM   416  C  CD1 . PHE   A 1 50  ? 17.577 5.431   40.079 1.00 9.71  ? 50  PHE   A CD1 1 
ATOM   417  C  CD2 . PHE   A 1 50  ? 19.030 4.735   41.824 1.00 9.12  ? 50  PHE   A CD2 1 
ATOM   418  C  CE1 . PHE   A 1 50  ? 17.825 6.755   40.402 1.00 9.80  ? 50  PHE   A CE1 1 
ATOM   419  C  CE2 . PHE   A 1 50  ? 19.281 6.059   42.142 1.00 9.87  ? 50  PHE   A CE2 1 
ATOM   420  C  CZ  . PHE   A 1 50  ? 18.677 7.066   41.432 1.00 10.07 ? 50  PHE   A CZ  1 
ATOM   421  N  N   . PHE   A 1 51  ? 20.739 1.748   40.178 1.00 6.84  ? 51  PHE   A N   1 
ATOM   422  C  CA  . PHE   A 1 51  ? 22.200 1.901   40.414 1.00 6.87  ? 51  PHE   A CA  1 
ATOM   423  C  C   . PHE   A 1 51  ? 23.050 1.362   39.246 1.00 8.21  ? 51  PHE   A C   1 
ATOM   424  O  O   . PHE   A 1 51  ? 24.064 1.933   38.943 1.00 7.92  ? 51  PHE   A O   1 
ATOM   425  C  CB  . PHE   A 1 51  ? 22.568 1.292   41.777 1.00 5.44  ? 51  PHE   A CB  1 
ATOM   426  C  CG  . PHE   A 1 51  ? 22.065 2.098   42.948 1.00 6.30  ? 51  PHE   A CG  1 
ATOM   427  C  CD1 . PHE   A 1 51  ? 22.320 3.455   43.034 1.00 7.76  ? 51  PHE   A CD1 1 
ATOM   428  C  CD2 . PHE   A 1 51  ? 21.331 1.506   43.960 1.00 7.98  ? 51  PHE   A CD2 1 
ATOM   429  C  CE1 . PHE   A 1 51  ? 21.859 4.197   44.107 1.00 7.79  ? 51  PHE   A CE1 1 
ATOM   430  C  CE2 . PHE   A 1 51  ? 20.868 2.250   45.033 1.00 8.14  ? 51  PHE   A CE2 1 
ATOM   431  C  CZ  . PHE   A 1 51  ? 21.134 3.595   45.105 1.00 8.82  ? 51  PHE   A CZ  1 
ATOM   432  N  N   . ARG   A 1 52  ? 22.592 0.295   38.607 1.00 7.89  ? 52  ARG   A N   1 
ATOM   433  C  CA  . ARG   A 1 52  ? 23.326 -0.205  37.420 1.00 6.66  ? 52  ARG   A CA  1 
ATOM   434  C  C   . ARG   A 1 52  ? 23.306 0.847   36.305 1.00 8.19  ? 52  ARG   A C   1 
ATOM   435  O  O   . ARG   A 1 52  ? 24.297 0.999   35.626 1.00 9.62  ? 52  ARG   A O   1 
ATOM   436  C  CB  . ARG   A 1 52  ? 22.705 -1.527  36.949 1.00 8.55  ? 52  ARG   A CB  1 
ATOM   437  C  CG  . ARG   A 1 52  ? 23.035 -2.702  37.859 1.00 11.91 ? 52  ARG   A CG  1 
ATOM   438  C  CD  . ARG   A 1 52  ? 22.583 -4.055  37.338 1.00 12.47 ? 52  ARG   A CD  1 
ATOM   439  N  NE  . ARG   A 1 52  ? 23.195 -4.377  36.061 1.00 12.84 ? 52  ARG   A NE  1 
ATOM   440  C  CZ  . ARG   A 1 52  ? 22.596 -5.040  35.081 1.00 18.67 ? 52  ARG   A CZ  1 
ATOM   441  N  NH1 . ARG   A 1 52  ? 21.358 -5.476  35.228 1.00 23.90 ? 52  ARG   A NH1 1 
ATOM   442  N  NH2 . ARG   A 1 52  ? 23.244 -5.266  33.953 1.00 24.37 ? 52  ARG   A NH2 1 
ATOM   443  N  N   . GLU   A 1 53  ? 22.186 1.547   36.157 1.00 9.40  ? 53  GLU   A N   1 
ATOM   444  C  CA  . GLU   A 1 53  ? 22.116 2.630   35.149 1.00 9.47  ? 53  GLU   A CA  1 
ATOM   445  C  C   . GLU   A 1 53  ? 23.124 3.719   35.512 1.00 9.83  ? 53  GLU   A C   1 
ATOM   446  O  O   . GLU   A 1 53  ? 23.783 4.222   34.638 1.00 9.83  ? 53  GLU   A O   1 
ATOM   447  C  CB  . GLU   A 1 53  ? 20.693 3.200   35.118 1.00 8.35  ? 53  GLU   A CB  1 
ATOM   448  C  CG  . GLU   A 1 53  ? 19.704 2.299   34.414 1.00 15.62 ? 53  GLU   A CG  1 
ATOM   449  C  CD  . GLU   A 1 53  ? 18.251 2.506   34.799 1.00 26.35 ? 53  GLU   A CD  1 
ATOM   450  O  OE1 . GLU   A 1 53  ? 17.920 3.567   35.365 1.00 25.13 ? 53  GLU   A OE1 1 
ATOM   451  O  OE2 . GLU   A 1 53  ? 17.455 1.588   34.529 1.00 27.33 ? 53  GLU   A OE2 1 
ATOM   452  N  N   . LEU   A 1 54  ? 23.215 4.020   36.803 1.00 8.55  ? 54  LEU   A N   1 
ATOM   453  C  CA  . LEU   A 1 54  ? 24.175 5.071   37.241 1.00 8.11  ? 54  LEU   A CA  1 
ATOM   454  C  C   . LEU   A 1 54  ? 25.629 4.608   37.029 1.00 8.79  ? 54  LEU   A C   1 
ATOM   455  O  O   . LEU   A 1 54  ? 26.456 5.427   36.721 1.00 8.46  ? 54  LEU   A O   1 
ATOM   456  C  CB  . LEU   A 1 54  ? 23.878 5.437   38.703 1.00 6.20  ? 54  LEU   A CB  1 
ATOM   457  C  CG  . LEU   A 1 54  ? 22.752 6.445   38.884 1.00 10.71 ? 54  LEU   A CG  1 
ATOM   458  C  CD1 . LEU   A 1 54  ? 22.350 6.548   40.345 1.00 14.39 ? 54  LEU   A CD1 1 
ATOM   459  C  CD2 . LEU   A 1 54  ? 23.186 7.797   38.343 1.00 18.30 ? 54  LEU   A CD2 1 
ATOM   460  N  N   . ALA   A 1 55  ? 25.899 3.318   37.178 1.00 7.75  ? 55  ALA   A N   1 
ATOM   461  C  CA  . ALA   A 1 55  ? 27.261 2.830   36.874 1.00 8.66  ? 55  ALA   A CA  1 
ATOM   462  C  C   . ALA   A 1 55  ? 27.610 3.174   35.422 1.00 10.10 ? 55  ALA   A C   1 
ATOM   463  O  O   . ALA   A 1 55  ? 28.714 3.611   35.153 1.00 9.87  ? 55  ALA   A O   1 
ATOM   464  C  CB  . ALA   A 1 55  ? 27.344 1.341   37.159 1.00 8.07  ? 55  ALA   A CB  1 
ATOM   465  N  N   . GLU   A 1 56  ? 26.660 2.954   34.535 1.00 7.42  ? 56  GLU   A N   1 
ATOM   466  C  CA  . GLU   A 1 56  ? 26.928 3.215   33.104 1.00 9.43  ? 56  GLU   A CA  1 
ATOM   467  C  C   . GLU   A 1 56  ? 27.083 4.724   32.858 1.00 11.50 ? 56  GLU   A C   1 
ATOM   468  O  O   . GLU   A 1 56  ? 27.931 5.109   32.080 1.00 10.17 ? 56  GLU   A O   1 
ATOM   469  C  CB  . GLU   A 1 56  ? 25.782 2.615   32.292 1.00 13.41 ? 56  GLU   A CB  1 
ATOM   470  C  CG  . GLU   A 1 56  ? 25.887 2.901   30.803 1.00 18.75 ? 56  GLU   A CG  1 
ATOM   471  C  CD  . GLU   A 1 56  ? 24.905 2.161   29.908 1.00 40.90 ? 56  GLU   A CD  1 
ATOM   472  O  OE1 . GLU   A 1 56  ? 23.981 1.527   30.439 1.00 32.04 ? 56  GLU   A OE1 1 
ATOM   473  O  OE2 . GLU   A 1 56  ? 25.078 2.219   28.677 1.00 39.67 ? 56  GLU   A OE2 1 
ATOM   474  N  N   . GLU   A 1 57  ? 26.236 5.509   33.511 1.00 10.49 ? 57  GLU   A N   1 
ATOM   475  C  CA  . GLU   A 1 57  ? 26.298 6.975   33.293 1.00 9.59  ? 57  GLU   A CA  1 
ATOM   476  C  C   . GLU   A 1 57  ? 27.658 7.520   33.756 1.00 8.38  ? 57  GLU   A C   1 
ATOM   477  O  O   . GLU   A 1 57  ? 28.199 8.407   33.139 1.00 9.78  ? 57  GLU   A O   1 
ATOM   478  C  CB  . GLU   A 1 57  ? 25.143 7.665   34.034 1.00 9.23  ? 57  GLU   A CB  1 
ATOM   479  C  CG  . GLU   A 1 57  ? 23.793 7.295   33.453 1.00 17.17 ? 57  GLU   A CG  1 
ATOM   480  C  CD  . GLU   A 1 57  ? 22.575 7.907   34.118 1.00 30.37 ? 57  GLU   A CD  1 
ATOM   481  O  OE1 . GLU   A 1 57  ? 22.744 8.806   34.953 1.00 32.90 ? 57  GLU   A OE1 1 
ATOM   482  O  OE2 . GLU   A 1 57  ? 21.456 7.501   33.764 1.00 32.38 ? 57  GLU   A OE2 1 
ATOM   483  N  N   . LYS   A 1 58  ? 28.133 7.000   34.872 1.00 8.11  ? 58  LYS   A N   1 
ATOM   484  C  CA  . LYS   A 1 58  ? 29.420 7.513   35.388 1.00 7.60  ? 58  LYS   A CA  1 
ATOM   485  C  C   . LYS   A 1 58  ? 30.567 7.051   34.490 1.00 8.89  ? 58  LYS   A C   1 
ATOM   486  O  O   . LYS   A 1 58  ? 31.520 7.795   34.323 1.00 8.79  ? 58  LYS   A O   1 
ATOM   487  C  CB  . LYS   A 1 58  ? 29.615 7.037   36.828 1.00 6.87  ? 58  LYS   A CB  1 
ATOM   488  C  CG  . LYS   A 1 58  ? 28.698 7.682   37.859 1.00 7.08  ? 58  LYS   A CG  1 
ATOM   489  C  CD  . LYS   A 1 58  ? 28.611 9.185   37.715 1.00 11.02 ? 58  LYS   A CD  1 
ATOM   490  C  CE  . LYS   A 1 58  ? 27.507 9.781   38.555 1.00 18.15 ? 58  LYS   A CE  1 
ATOM   491  N  NZ  . LYS   A 1 58  ? 27.275 11.210  38.236 1.00 15.39 ? 58  LYS   A NZ  1 
ATOM   492  N  N   . PHE   A 1 59  ? 30.486 5.830   33.982 1.00 7.68  ? 59  PHE   A N   1 
ATOM   493  C  CA  . PHE   A 1 59  ? 31.530 5.403   33.023 1.00 8.09  ? 59  PHE   A CA  1 
ATOM   494  C  C   . PHE   A 1 59  ? 31.519 6.312   31.785 1.00 8.56  ? 59  PHE   A C   1 
ATOM   495  O  O   . PHE   A 1 59  ? 32.544 6.687   31.270 1.00 9.03  ? 59  PHE   A O   1 
ATOM   496  C  CB  . PHE   A 1 59  ? 31.289 3.949   32.613 1.00 8.65  ? 59  PHE   A CB  1 
ATOM   497  C  CG  . PHE   A 1 59  ? 32.197 3.545   31.489 1.00 10.83 ? 59  PHE   A CG  1 
ATOM   498  C  CD1 . PHE   A 1 59  ? 33.532 3.287   31.735 1.00 12.34 ? 59  PHE   A CD1 1 
ATOM   499  C  CD2 . PHE   A 1 59  ? 31.738 3.527   30.185 1.00 15.98 ? 59  PHE   A CD2 1 
ATOM   500  C  CE1 . PHE   A 1 59  ? 34.383 2.960   30.695 1.00 15.51 ? 59  PHE   A CE1 1 
ATOM   501  C  CE2 . PHE   A 1 59  ? 32.595 3.207   29.147 1.00 25.92 ? 59  PHE   A CE2 1 
ATOM   502  C  CZ  . PHE   A 1 59  ? 33.912 2.926   29.406 1.00 20.65 ? 59  PHE   A CZ  1 
ATOM   503  N  N   . GLU   A 1 60  ? 30.322 6.625   31.336 1.00 9.21  ? 60  GLU   A N   1 
ATOM   504  C  CA  A GLU   A 1 60  ? 30.212 7.514   30.147 0.66 9.48  ? 60  GLU   A CA  1 
ATOM   505  C  CA  B GLU   A 1 60  ? 30.211 7.515   30.148 0.34 9.54  ? 60  GLU   A CA  1 
ATOM   506  C  C   . GLU   A 1 60  ? 30.850 8.901   30.410 1.00 8.31  ? 60  GLU   A C   1 
ATOM   507  O  O   . GLU   A 1 60  ? 31.495 9.628   29.562 1.00 10.74 ? 60  GLU   A O   1 
ATOM   508  C  CB  A GLU   A 1 60  ? 28.755 7.638   29.685 0.66 11.85 ? 60  GLU   A CB  1 
ATOM   509  C  CB  B GLU   A 1 60  ? 28.752 7.655   29.700 0.34 11.88 ? 60  GLU   A CB  1 
ATOM   510  C  CG  A GLU   A 1 60  ? 28.266 6.393   28.969 0.66 13.82 ? 60  GLU   A CG  1 
ATOM   511  C  CG  B GLU   A 1 60  ? 28.183 6.370   29.134 0.34 14.05 ? 60  GLU   A CG  1 
ATOM   512  C  CD  A GLU   A 1 60  ? 26.760 6.206   28.924 0.66 23.81 ? 60  GLU   A CD  1 
ATOM   513  C  CD  B GLU   A 1 60  ? 28.802 5.967   27.810 0.34 17.51 ? 60  GLU   A CD  1 
ATOM   514  O  OE1 A GLU   A 1 60  ? 26.043 7.003   29.555 0.66 24.83 ? 60  GLU   A OE1 1 
ATOM   515  O  OE1 B GLU   A 1 60  ? 28.810 6.808   26.891 0.34 22.36 ? 60  GLU   A OE1 1 
ATOM   516  O  OE2 A GLU   A 1 60  ? 26.311 5.257   28.259 0.66 26.93 ? 60  GLU   A OE2 1 
ATOM   517  O  OE2 B GLU   A 1 60  ? 29.283 4.821   27.705 0.34 18.71 ? 60  GLU   A OE2 1 
ATOM   518  N  N   . GLY   A 1 61  ? 30.638 9.340   31.638 1.00 7.42  ? 61  GLY   A N   1 
ATOM   519  C  CA  . GLY   A 1 61  ? 31.275 10.600  32.060 1.00 8.39  ? 61  GLY   A CA  1 
ATOM   520  C  C   . GLY   A 1 61  ? 32.789 10.517  31.982 1.00 9.26  ? 61  GLY   A C   1 
ATOM   521  O  O   . GLY   A 1 61  ? 33.421 11.431  31.500 1.00 8.77  ? 61  GLY   A O   1 
ATOM   522  N  N   . ALA   A 1 62  ? 33.340 9.424   32.490 1.00 9.16  ? 62  ALA   A N   1 
ATOM   523  C  CA  . ALA   A 1 62  ? 34.800 9.236   32.385 1.00 8.07  ? 62  ALA   A CA  1 
ATOM   524  C  C   . ALA   A 1 62  ? 35.256 9.175   30.920 1.00 8.68  ? 62  ALA   A C   1 
ATOM   525  O  O   . ALA   A 1 62  ? 36.279 9.740   30.603 1.00 8.89  ? 62  ALA   A O   1 
ATOM   526  C  CB  . ALA   A 1 62  ? 35.190 7.969   33.119 1.00 9.59  ? 62  ALA   A CB  1 
ATOM   527  N  N   . GLU   A 1 63  ? 34.480 8.467   30.116 1.00 7.14  ? 63  GLU   A N   1 
ATOM   528  C  CA  A GLU   A 1 63  ? 34.802 8.394   28.673 0.51 7.58  ? 63  GLU   A CA  1 
ATOM   529  C  CA  B GLU   A 1 63  ? 34.799 8.392   28.673 0.49 7.58  ? 63  GLU   A CA  1 
ATOM   530  C  C   . GLU   A 1 63  ? 34.854 9.771   27.969 1.00 7.41  ? 63  GLU   A C   1 
ATOM   531  O  O   . GLU   A 1 63  ? 35.708 10.178  27.105 1.00 9.94  ? 63  GLU   A O   1 
ATOM   532  C  CB  A GLU   A 1 63  ? 33.732 7.583   27.946 0.51 9.88  ? 63  GLU   A CB  1 
ATOM   533  C  CB  B GLU   A 1 63  ? 33.723 7.540   28.003 0.49 9.88  ? 63  GLU   A CB  1 
ATOM   534  C  CG  A GLU   A 1 63  ? 33.906 6.087   28.017 0.51 12.19 ? 63  GLU   A CG  1 
ATOM   535  C  CG  B GLU   A 1 63  ? 34.131 6.881   26.710 0.49 9.63  ? 63  GLU   A CG  1 
ATOM   536  C  CD  A GLU   A 1 63  ? 32.874 5.389   27.151 0.51 15.95 ? 63  GLU   A CD  1 
ATOM   537  C  CD  B GLU   A 1 63  ? 33.025 5.953   26.244 0.49 16.58 ? 63  GLU   A CD  1 
ATOM   538  O  OE1 A GLU   A 1 63  ? 31.671 5.549   27.430 0.51 15.58 ? 63  GLU   A OE1 1 
ATOM   539  O  OE1 B GLU   A 1 63  ? 31.941 6.467   25.919 0.49 18.73 ? 63  GLU   A OE1 1 
ATOM   540  O  OE2 A GLU   A 1 63  ? 33.271 4.704   26.200 0.51 16.84 ? 63  GLU   A OE2 1 
ATOM   541  O  OE2 B GLU   A 1 63  ? 33.238 4.729   26.251 0.49 16.84 ? 63  GLU   A OE2 1 
ATOM   542  N  N   . ARG   A 1 64  ? 33.869 10.574  28.355 1.00 8.25  ? 64  ARG   A N   1 
ATOM   543  C  CA  . ARG   A 1 64  ? 33.824 11.933  27.755 1.00 8.19  ? 64  ARG   A CA  1 
ATOM   544  C  C   . ARG   A 1 64  ? 35.044 12.761  28.194 1.00 7.50  ? 64  ARG   A C   1 
ATOM   545  O  O   . ARG   A 1 64  ? 35.595 13.477  27.396 1.00 8.62  ? 64  ARG   A O   1 
ATOM   546  C  CB  . ARG   A 1 64  ? 32.494 12.626  28.098 1.00 8.21  ? 64  ARG   A CB  1 
ATOM   547  C  CG  . ARG   A 1 64  ? 32.305 13.924  27.329 1.00 19.84 ? 64  ARG   A CG  1 
ATOM   548  C  CD  . ARG   A 1 64  ? 31.083 14.718  27.726 1.00 23.96 ? 64  ARG   A CD  1 
ATOM   549  N  NE  . ARG   A 1 64  ? 29.876 13.992  27.375 1.00 20.29 ? 64  ARG   A NE  1 
ATOM   550  C  CZ  . ARG   A 1 64  ? 29.251 14.081  26.208 1.00 34.86 ? 64  ARG   A CZ  1 
ATOM   551  N  NH1 . ARG   A 1 64  ? 29.721 14.871  25.262 1.00 36.05 ? 64  ARG   A NH1 1 
ATOM   552  N  NH2 . ARG   A 1 64  ? 28.159 13.373  25.988 1.00 40.16 ? 64  ARG   A NH2 1 
ATOM   553  N  N   . LEU   A 1 65  ? 35.409 12.640  29.453 1.00 6.95  ? 65  LEU   A N   1 
ATOM   554  C  CA  . LEU   A 1 65  ? 36.607 13.361  29.951 1.00 6.29  ? 65  LEU   A CA  1 
ATOM   555  C  C   . LEU   A 1 65  ? 37.857 12.891  29.192 1.00 6.66  ? 65  LEU   A C   1 
ATOM   556  O  O   . LEU   A 1 65  ? 38.686 13.720  28.885 1.00 7.49  ? 65  LEU   A O   1 
ATOM   557  C  CB  . LEU   A 1 65  ? 36.732 13.084  31.455 1.00 7.10  ? 65  LEU   A CB  1 
ATOM   558  C  CG  . LEU   A 1 65  ? 35.759 13.869  32.334 1.00 9.34  ? 65  LEU   A CG  1 
ATOM   559  C  CD1 . LEU   A 1 65  ? 35.602 13.200  33.690 1.00 9.17  ? 65  LEU   A CD1 1 
ATOM   560  C  CD2 . LEU   A 1 65  ? 36.222 15.306  32.500 1.00 10.39 ? 65  LEU   A CD2 1 
ATOM   561  N  N   . LEU   A 1 66  ? 37.971 11.568  28.995 1.00 6.95  ? 66  LEU   A N   1 
ATOM   562  C  CA  . LEU   A 1 66  ? 39.155 11.000  28.278 1.00 6.75  ? 66  LEU   A CA  1 
ATOM   563  C  C   . LEU   A 1 66  ? 39.176 11.458  26.810 1.00 5.90  ? 66  LEU   A C   1 
ATOM   564  O  O   . LEU   A 1 66  ? 40.226 11.772  26.301 1.00 7.35  ? 66  LEU   A O   1 
ATOM   565  C  CB  . LEU   A 1 66  ? 39.105 9.462   28.376 1.00 7.14  ? 66  LEU   A CB  1 
ATOM   566  C  CG  . LEU   A 1 66  ? 39.388 8.902   29.768 1.00 6.36  ? 66  LEU   A CG  1 
ATOM   567  C  CD1 . LEU   A 1 66  ? 38.996 7.435   29.846 1.00 8.10  ? 66  LEU   A CD1 1 
ATOM   568  C  CD2 . LEU   A 1 66  ? 40.859 9.076   30.114 1.00 7.75  ? 66  LEU   A CD2 1 
ATOM   569  N  N   . LYS   A 1 67  ? 38.018 11.539  26.177 1.00 6.79  ? 67  LYS   A N   1 
ATOM   570  C  CA  . LYS   A 1 67  ? 37.968 12.054  24.782 1.00 5.91  ? 67  LYS   A CA  1 
ATOM   571  C  C   . LYS   A 1 67  ? 38.453 13.504  24.743 1.00 7.45  ? 67  LYS   A C   1 
ATOM   572  O  O   . LYS   A 1 67  ? 39.218 13.868  23.876 1.00 8.25  ? 67  LYS   A O   1 
ATOM   573  C  CB  . LYS   A 1 67  ? 36.520 11.968  24.271 1.00 7.84  ? 67  LYS   A CB  1 
ATOM   574  C  CG  . LYS   A 1 67  ? 35.991 10.578  23.936 1.00 15.04 ? 67  LYS   A CG  1 
ATOM   575  C  CD  . LYS   A 1 67  ? 34.525 10.587  23.523 1.00 17.04 ? 67  LYS   A CD  1 
ATOM   576  C  CE  . LYS   A 1 67  ? 33.998 9.223   23.122 1.00 18.73 ? 67  LYS   A CE  1 
ATOM   577  N  NZ  . LYS   A 1 67  ? 32.582 9.285   22.684 1.00 22.36 ? 67  LYS   A NZ  1 
ATOM   578  N  N   . MET   A 1 68  ? 37.986 14.271  25.702 1.00 6.53  ? 68  MET   A N   1 
ATOM   579  C  CA  . MET   A 1 68  ? 38.343 15.702  25.716 1.00 7.78  ? 68  MET   A CA  1 
ATOM   580  C  C   . MET   A 1 68  ? 39.840 15.872  26.022 1.00 6.15  ? 68  MET   A C   1 
ATOM   581  O  O   . MET   A 1 68  ? 40.476 16.698  25.431 1.00 6.88  ? 68  MET   A O   1 
ATOM   582  C  CB  . MET   A 1 68  ? 37.488 16.378  26.791 1.00 7.04  ? 68  MET   A CB  1 
ATOM   583  C  CG  . MET   A 1 68  ? 37.753 17.871  26.930 1.00 8.14  ? 68  MET   A CG  1 
ATOM   584  S  SD  . MET   A 1 68  ? 39.148 18.240  28.051 1.00 8.10  ? 68  MET   A SD  1 
ATOM   585  C  CE  . MET   A 1 68  ? 38.405 17.820  29.630 1.00 9.77  ? 68  MET   A CE  1 
ATOM   586  N  N   . GLN   A 1 69  ? 40.337 15.065  26.945 1.00 6.36  ? 69  GLN   A N   1 
ATOM   587  C  CA  . GLN   A 1 69  ? 41.776 15.134  27.261 1.00 7.03  ? 69  GLN   A CA  1 
ATOM   588  C  C   . GLN   A 1 69  ? 42.582 15.003  25.962 1.00 6.28  ? 69  GLN   A C   1 
ATOM   589  O  O   . GLN   A 1 69  ? 43.482 15.798  25.730 1.00 7.11  ? 69  GLN   A O   1 
ATOM   590  C  CB  . GLN   A 1 69  ? 42.103 14.035  28.287 1.00 5.48  ? 69  GLN   A CB  1 
ATOM   591  C  CG  . GLN   A 1 69  ? 43.570 13.947  28.702 1.00 8.59  ? 69  GLN   A CG  1 
ATOM   592  C  CD  . GLN   A 1 69  ? 43.933 14.958  29.762 1.00 7.48  ? 69  GLN   A CD  1 
ATOM   593  O  OE1 . GLN   A 1 69  ? 44.050 16.144  29.496 1.00 9.86  ? 69  GLN   A OE1 1 
ATOM   594  N  NE2 . GLN   A 1 69  ? 44.110 14.486  30.984 1.00 8.47  ? 69  GLN   A NE2 1 
ATOM   595  N  N   . ASN   A 1 70  ? 42.221 14.037  25.146 1.00 6.07  ? 70  ASN   A N   1 
ATOM   596  C  CA  . ASN   A 1 70  ? 42.948 13.826  23.875 1.00 6.88  ? 70  ASN   A CA  1 
ATOM   597  C  C   . ASN   A 1 70  ? 42.659 14.948  22.863 1.00 5.56  ? 70  ASN   A C   1 
ATOM   598  O  O   . ASN   A 1 70  ? 43.553 15.369  22.160 1.00 7.52  ? 70  ASN   A O   1 
ATOM   599  C  CB  . ASN   A 1 70  ? 42.570 12.474  23.290 1.00 6.93  ? 70  ASN   A CB  1 
ATOM   600  C  CG  . ASN   A 1 70  ? 43.375 11.320  23.847 1.00 8.31  ? 70  ASN   A CG  1 
ATOM   601  O  OD1 . ASN   A 1 70  ? 44.381 11.520  24.512 1.00 10.85 ? 70  ASN   A OD1 1 
ATOM   602  N  ND2 . ASN   A 1 70  ? 42.933 10.110  23.565 1.00 7.62  ? 70  ASN   A ND2 1 
ATOM   603  N  N   . GLN   A 1 71  ? 41.421 15.420  22.851 1.00 6.33  ? 71  GLN   A N   1 
ATOM   604  C  CA  A GLN   A 1 71  ? 41.128 16.564  21.949 0.58 7.05  ? 71  GLN   A CA  1 
ATOM   605  C  CA  B GLN   A 1 71  ? 41.120 16.566  21.951 0.42 7.07  ? 71  GLN   A CA  1 
ATOM   606  C  C   . GLN   A 1 71  ? 41.993 17.819  22.241 1.00 7.69  ? 71  GLN   A C   1 
ATOM   607  O  O   . GLN   A 1 71  ? 42.410 18.635  21.385 1.00 9.44  ? 71  GLN   A O   1 
ATOM   608  C  CB  A GLN   A 1 71  ? 39.672 16.994  22.117 0.58 9.26  ? 71  GLN   A CB  1 
ATOM   609  C  CB  B GLN   A 1 71  ? 39.660 16.989  22.113 0.42 9.25  ? 71  GLN   A CB  1 
ATOM   610  C  CG  A GLN   A 1 71  ? 38.672 16.020  21.514 0.58 9.20  ? 71  GLN   A CG  1 
ATOM   611  C  CG  B GLN   A 1 71  ? 38.660 15.952  21.620 0.42 9.36  ? 71  GLN   A CG  1 
ATOM   612  C  CD  A GLN   A 1 71  ? 37.254 16.420  21.835 0.58 9.42  ? 71  GLN   A CD  1 
ATOM   613  C  CD  B GLN   A 1 71  ? 38.423 16.041  20.133 0.42 8.96  ? 71  GLN   A CD  1 
ATOM   614  O  OE1 A GLN   A 1 71  ? 36.958 16.897  22.925 0.58 14.18 ? 71  GLN   A OE1 1 
ATOM   615  O  OE1 B GLN   A 1 71  ? 38.493 15.052  19.410 0.42 16.68 ? 71  GLN   A OE1 1 
ATOM   616  N  NE2 A GLN   A 1 71  ? 36.364 16.231  20.876 0.58 17.39 ? 71  GLN   A NE2 1 
ATOM   617  N  NE2 B GLN   A 1 71  ? 38.131 17.240  19.660 0.42 9.42  ? 71  GLN   A NE2 1 
ATOM   618  N  N   . ARG   A 1 72  ? 42.341 17.910  23.518 1.00 7.94  ? 72  ARG   A N   1 
ATOM   619  C  CA  . ARG   A 1 72  ? 43.098 19.112  23.954 1.00 7.35  ? 72  ARG   A CA  1 
ATOM   620  C  C   . ARG   A 1 72  ? 44.621 18.894  23.872 1.00 7.94  ? 72  ARG   A C   1 
ATOM   621  O  O   . ARG   A 1 72  ? 45.357 19.846  24.005 1.00 9.54  ? 72  ARG   A O   1 
ATOM   622  C  CB  . ARG   A 1 72  ? 42.743 19.546  25.384 1.00 5.80  ? 72  ARG   A CB  1 
ATOM   623  C  CG  . ARG   A 1 72  ? 41.360 20.167  25.538 1.00 8.02  ? 72  ARG   A CG  1 
ATOM   624  C  CD  . ARG   A 1 72  ? 41.136 21.435  24.732 1.00 6.22  ? 72  ARG   A CD  1 
ATOM   625  N  NE  . ARG   A 1 72  ? 42.045 22.545  25.010 1.00 6.79  ? 72  ARG   A NE  1 
ATOM   626  C  CZ  . ARG   A 1 72  ? 41.875 23.450  25.966 1.00 7.96  ? 72  ARG   A CZ  1 
ATOM   627  N  NH1 . ARG   A 1 72  ? 40.841 23.377  26.786 1.00 7.08  ? 72  ARG   A NH1 1 
ATOM   628  N  NH2 . ARG   A 1 72  ? 42.749 24.429  26.102 1.00 7.22  ? 72  ARG   A NH2 1 
ATOM   629  N  N   . GLY   A 1 73  ? 45.024 17.655  23.632 1.00 9.31  ? 73  GLY   A N   1 
ATOM   630  C  CA  . GLY   A 1 73  ? 46.475 17.370  23.583 1.00 9.04  ? 73  GLY   A CA  1 
ATOM   631  C  C   . GLY   A 1 73  ? 47.084 16.937  24.904 1.00 10.60 ? 73  GLY   A C   1 
ATOM   632  O  O   . GLY   A 1 73  ? 48.270 16.832  24.968 1.00 10.16 ? 73  GLY   A O   1 
ATOM   633  N  N   . GLY   A 1 74  ? 46.255 16.752  25.916 1.00 9.18  ? 74  GLY   A N   1 
ATOM   634  C  CA  . GLY   A 1 74  ? 46.761 16.193  27.170 1.00 9.65  ? 74  GLY   A CA  1 
ATOM   635  C  C   . GLY   A 1 74  ? 46.896 14.679  27.091 1.00 8.48  ? 74  GLY   A C   1 
ATOM   636  O  O   . GLY   A 1 74  ? 46.499 14.100  26.113 1.00 10.05 ? 74  GLY   A O   1 
ATOM   637  N  N   . ARG   A 1 75  ? 47.468 14.130  28.141 1.00 8.87  ? 75  ARG   A N   1 
ATOM   638  C  CA  . ARG   A 1 75  ? 47.732 12.677  28.132 1.00 10.22 ? 75  ARG   A CA  1 
ATOM   639  C  C   . ARG   A 1 75  ? 46.989 12.026  29.293 1.00 8.83  ? 75  ARG   A C   1 
ATOM   640  O  O   . ARG   A 1 75  ? 47.207 12.403  30.425 1.00 9.19  ? 75  ARG   A O   1 
ATOM   641  C  CB  . ARG   A 1 75  ? 49.240 12.443  28.197 1.00 11.71 ? 75  ARG   A CB  1 
ATOM   642  C  CG  . ARG   A 1 75  ? 49.942 12.736  26.881 1.00 20.65 ? 75  ARG   A CG  1 
ATOM   643  C  CD  . ARG   A 1 75  ? 49.264 12.085  25.694 1.00 16.40 ? 75  ARG   A CD  1 
ATOM   644  N  NE  . ARG   A 1 75  ? 49.811 12.517  24.420 1.00 27.02 ? 75  ARG   A NE  1 
ATOM   645  C  CZ  . ARG   A 1 75  ? 49.107 13.118  23.474 1.00 23.29 ? 75  ARG   A CZ  1 
ATOM   646  N  NH1 . ARG   A 1 75  ? 47.813 13.352  23.644 1.00 14.76 ? 75  ARG   A NH1 1 
ATOM   647  N  NH2 . ARG   A 1 75  ? 49.701 13.450  22.349 1.00 26.79 ? 75  ARG   A NH2 1 
ATOM   648  N  N   . ALA   A 1 76  ? 46.139 11.073  28.932 1.00 7.76  ? 76  ALA   A N   1 
ATOM   649  C  CA  . ALA   A 1 76  ? 45.436 10.307  29.974 1.00 9.09  ? 76  ALA   A CA  1 
ATOM   650  C  C   . ALA   A 1 76  ? 46.419 9.527   30.831 1.00 9.99  ? 76  ALA   A C   1 
ATOM   651  O  O   . ALA   A 1 76  ? 47.305 8.851   30.293 1.00 12.13 ? 76  ALA   A O   1 
ATOM   652  C  CB  . ALA   A 1 76  ? 44.503 9.313   29.348 1.00 11.68 ? 76  ALA   A CB  1 
ATOM   653  N  N   . LEU   A 1 77  ? 46.229 9.621   32.125 1.00 8.45  ? 77  LEU   A N   1 
ATOM   654  C  CA  . LEU   A 1 77  ? 47.066 8.829   33.039 1.00 8.83  ? 77  LEU   A CA  1 
ATOM   655  C  C   . LEU   A 1 77  ? 46.097 8.169   34.010 1.00 10.75 ? 77  LEU   A C   1 
ATOM   656  O  O   . LEU   A 1 77  ? 45.330 8.872   34.638 1.00 14.01 ? 77  LEU   A O   1 
ATOM   657  C  CB  . LEU   A 1 77  ? 48.067 9.724   33.765 1.00 12.90 ? 77  LEU   A CB  1 
ATOM   658  C  CG  . LEU   A 1 77  ? 49.325 10.107  32.995 1.00 17.87 ? 77  LEU   A CG  1 
ATOM   659  C  CD1 . LEU   A 1 77  ? 50.227 10.956  33.875 1.00 20.33 ? 77  LEU   A CD1 1 
ATOM   660  C  CD2 . LEU   A 1 77  ? 50.069 8.870   32.514 1.00 19.46 ? 77  LEU   A CD2 1 
ATOM   661  N  N   . PHE   A 1 78  ? 46.209 6.860   34.099 1.00 9.20  ? 78  PHE   A N   1 
ATOM   662  C  CA  . PHE   A 1 78  ? 45.282 6.098   34.953 1.00 9.58  ? 78  PHE   A CA  1 
ATOM   663  C  C   . PHE   A 1 78  ? 45.960 5.705   36.266 1.00 11.32 ? 78  PHE   A C   1 
ATOM   664  O  O   . PHE   A 1 78  ? 47.147 5.454   36.284 1.00 14.27 ? 78  PHE   A O   1 
ATOM   665  C  CB  . PHE   A 1 78  ? 44.799 4.872   34.178 1.00 7.41  ? 78  PHE   A CB  1 
ATOM   666  C  CG  . PHE   A 1 78  ? 43.966 5.240   32.975 1.00 7.88  ? 78  PHE   A CG  1 
ATOM   667  C  CD1 . PHE   A 1 78  ? 42.644 5.624   33.123 1.00 10.78 ? 78  PHE   A CD1 1 
ATOM   668  C  CD2 . PHE   A 1 78  ? 44.516 5.252   31.705 1.00 9.00  ? 78  PHE   A CD2 1 
ATOM   669  C  CE1 . PHE   A 1 78  ? 41.882 5.982   32.023 1.00 12.89 ? 78  PHE   A CE1 1 
ATOM   670  C  CE2 . PHE   A 1 78  ? 43.753 5.613   30.607 1.00 8.02  ? 78  PHE   A CE2 1 
ATOM   671  C  CZ  . PHE   A 1 78  ? 42.439 5.972   30.768 1.00 10.73 ? 78  PHE   A CZ  1 
ATOM   672  N  N   . GLN   A 1 79  ? 45.163 5.714   37.310 1.00 10.13 ? 79  GLN   A N   1 
ATOM   673  C  CA  . GLN   A 1 79  ? 45.667 5.288   38.631 1.00 10.97 ? 79  GLN   A CA  1 
ATOM   674  C  C   . GLN   A 1 79  ? 44.854 4.079   39.103 1.00 10.69 ? 79  GLN   A C   1 
ATOM   675  O  O   . GLN   A 1 79  ? 43.833 3.766   38.518 1.00 11.25 ? 79  GLN   A O   1 
ATOM   676  C  CB  . GLN   A 1 79  ? 45.588 6.449   39.640 1.00 13.14 ? 79  GLN   A CB  1 
ATOM   677  C  CG  . GLN   A 1 79  ? 46.437 7.654   39.261 1.00 17.63 ? 79  GLN   A CG  1 
ATOM   678  C  CD  . GLN   A 1 79  ? 47.895 7.326   39.051 1.00 33.57 ? 79  GLN   A CD  1 
ATOM   679  O  OE1 . GLN   A 1 79  ? 48.429 6.371   39.614 1.00 26.29 ? 79  GLN   A OE1 1 
ATOM   680  N  NE2 . GLN   A 1 79  ? 48.557 8.142   38.245 1.00 31.63 ? 79  GLN   A NE2 1 
ATOM   681  N  N   . ASP   A 1 80  ? 45.313 3.489   40.201 1.00 10.17 ? 80  ASP   A N   1 
ATOM   682  C  CA  . ASP   A 1 80  ? 44.550 2.383   40.805 1.00 10.63 ? 80  ASP   A CA  1 
ATOM   683  C  C   . ASP   A 1 80  ? 43.143 2.895   41.113 1.00 12.38 ? 80  ASP   A C   1 
ATOM   684  O  O   . ASP   A 1 80  ? 42.987 4.074   41.439 1.00 13.22 ? 80  ASP   A O   1 
ATOM   685  C  CB  . ASP   A 1 80  ? 45.302 1.915   42.065 1.00 10.90 ? 80  ASP   A CB  1 
ATOM   686  C  CG  . ASP   A 1 80  ? 46.687 1.310   41.869 1.00 15.16 ? 80  ASP   A CG  1 
ATOM   687  O  OD1 . ASP   A 1 80  ? 46.925 0.691   40.836 1.00 10.48 ? 80  ASP   A OD1 1 
ATOM   688  O  OD2 . ASP   A 1 80  ? 47.499 1.450   42.781 1.00 17.59 ? 80  ASP   A OD2 1 
ATOM   689  N  N   . LEU   A 1 81  ? 42.146 2.041   40.995 1.00 10.22 ? 81  LEU   A N   1 
ATOM   690  C  CA  A LEU   A 1 81  ? 40.766 2.447   41.370 0.58 10.89 ? 81  LEU   A CA  1 
ATOM   691  C  CA  B LEU   A 1 81  ? 40.767 2.474   41.355 0.42 10.96 ? 81  LEU   A CA  1 
ATOM   692  C  C   . LEU   A 1 81  ? 40.389 1.866   42.741 1.00 13.18 ? 81  LEU   A C   1 
ATOM   693  O  O   . LEU   A 1 81  ? 40.398 0.597   42.905 1.00 13.01 ? 81  LEU   A O   1 
ATOM   694  C  CB  A LEU   A 1 81  ? 39.765 1.986   40.301 0.58 15.25 ? 81  LEU   A CB  1 
ATOM   695  C  CB  B LEU   A 1 81  ? 39.799 1.983   40.269 0.42 15.23 ? 81  LEU   A CB  1 
ATOM   696  C  CG  A LEU   A 1 81  ? 39.773 2.776   38.998 0.58 14.66 ? 81  LEU   A CG  1 
ATOM   697  C  CG  B LEU   A 1 81  ? 38.640 2.900   39.899 0.42 16.16 ? 81  LEU   A CG  1 
ATOM   698  C  CD1 A LEU   A 1 81  ? 38.956 2.053   37.941 0.58 14.87 ? 81  LEU   A CD1 1 
ATOM   699  C  CD1 B LEU   A 1 81  ? 39.170 4.151   39.225 0.42 15.22 ? 81  LEU   A CD1 1 
ATOM   700  C  CD2 A LEU   A 1 81  ? 39.220 4.169   39.229 0.58 15.26 ? 81  LEU   A CD2 1 
ATOM   701  C  CD2 B LEU   A 1 81  ? 37.680 2.166   38.973 0.42 11.99 ? 81  LEU   A CD2 1 
ATOM   702  N  N   . GLN   A 1 82  ? 40.127 2.707   43.725 1.00 10.09 ? 82  GLN   A N   1 
ATOM   703  C  CA  . GLN   A 1 82  ? 39.792 2.209   45.068 1.00 11.24 ? 82  GLN   A CA  1 
ATOM   704  C  C   . GLN   A 1 82  ? 38.459 1.464   45.040 1.00 10.98 ? 82  GLN   A C   1 
ATOM   705  O  O   . GLN   A 1 82  ? 37.569 1.903   44.331 1.00 14.14 ? 82  GLN   A O   1 
ATOM   706  C  CB  . GLN   A 1 82  ? 39.577 3.359   46.046 1.00 15.54 ? 82  GLN   A CB  1 
ATOM   707  C  CG  . GLN   A 1 82  ? 40.757 4.262   46.316 1.00 33.65 ? 82  GLN   A CG  1 
ATOM   708  C  CD  . GLN   A 1 82  ? 40.139 5.498   46.920 1.00 40.23 ? 82  GLN   A CD  1 
ATOM   709  O  OE1 . GLN   A 1 82  ? 40.339 6.606   46.444 1.00 44.82 ? 82  GLN   A OE1 1 
ATOM   710  N  NE2 . GLN   A 1 82  ? 39.323 5.296   47.946 1.00 26.76 ? 82  GLN   A NE2 1 
ATOM   711  N  N   . LYS   A 1 83  ? 38.380 0.401   45.824 1.00 11.58 ? 83  LYS   A N   1 
ATOM   712  C  CA  . LYS   A 1 83  ? 37.104 -0.323  45.956 1.00 11.14 ? 83  LYS   A CA  1 
ATOM   713  C  C   . LYS   A 1 83  ? 36.084 0.591   46.632 1.00 12.13 ? 83  LYS   A C   1 
ATOM   714  O  O   . LYS   A 1 83  ? 36.461 1.522   47.331 1.00 11.13 ? 83  LYS   A O   1 
ATOM   715  C  CB  . LYS   A 1 83  ? 37.307 -1.616  46.745 1.00 9.73  ? 83  LYS   A CB  1 
ATOM   716  C  CG  . LYS   A 1 83  ? 37.585 -1.453  48.229 1.00 10.20 ? 83  LYS   A CG  1 
ATOM   717  C  CD  . LYS   A 1 83  ? 37.712 -2.790  48.920 1.00 14.06 ? 83  LYS   A CD  1 
ATOM   718  C  CE  . LYS   A 1 83  ? 37.640 -2.688  50.426 1.00 13.76 ? 83  LYS   A CE  1 
ATOM   719  N  NZ  . LYS   A 1 83  ? 37.822 -4.014  51.059 1.00 19.35 ? 83  LYS   A NZ  1 
ATOM   720  N  N   . PRO   A 1 84  ? 34.790 0.268   46.458 1.00 9.00  ? 84  PRO   A N   1 
ATOM   721  C  CA  . PRO   A 1 84  ? 33.756 1.038   47.114 1.00 8.52  ? 84  PRO   A CA  1 
ATOM   722  C  C   . PRO   A 1 84  ? 33.886 1.051   48.645 1.00 11.44 ? 84  PRO   A C   1 
ATOM   723  O  O   . PRO   A 1 84  ? 34.468 0.148   49.191 1.00 11.27 ? 84  PRO   A O   1 
ATOM   724  C  CB  . PRO   A 1 84  ? 32.442 0.405   46.598 1.00 8.04  ? 84  PRO   A CB  1 
ATOM   725  C  CG  . PRO   A 1 84  ? 32.844 -0.214  45.286 1.00 8.31  ? 84  PRO   A CG  1 
ATOM   726  C  CD  . PRO   A 1 84  ? 34.220 -0.769  45.579 1.00 9.18  ? 84  PRO   A CD  1 
ATOM   727  N  N   . SER   A 1 85  ? 33.243 2.028   49.270 1.00 9.93  ? 85  SER   A N   1 
ATOM   728  C  CA  . SER   A 1 85  ? 33.391 2.255   50.728 1.00 10.76 ? 85  SER   A CA  1 
ATOM   729  C  C   . SER   A 1 85  ? 32.689 1.182   51.572 1.00 12.49 ? 85  SER   A C   1 
ATOM   730  O  O   . SER   A 1 85  ? 33.118 1.022   52.693 1.00 14.59 ? 85  SER   A O   1 
ATOM   731  C  CB  . SER   A 1 85  ? 32.878 3.638   51.056 1.00 13.22 ? 85  SER   A CB  1 
ATOM   732  O  OG  . SER   A 1 85  ? 31.474 3.709   50.876 1.00 21.07 ? 85  SER   A OG  1 
ATOM   733  N  N   A GLN   A 1 86  ? 31.747 0.453   50.985 0.58 9.69  ? 86  GLN   A N   1 
ATOM   734  N  N   B GLN   A 1 86  ? 31.747 0.454   50.983 0.42 9.72  ? 86  GLN   A N   1 
ATOM   735  C  CA  A GLN   A 1 86  ? 31.005 -0.585  51.732 0.58 9.82  ? 86  GLN   A CA  1 
ATOM   736  C  CA  B GLN   A 1 86  ? 31.003 -0.583  51.728 0.42 9.84  ? 86  GLN   A CA  1 
ATOM   737  C  C   A GLN   A 1 86  ? 30.862 -1.850  50.888 0.58 7.94  ? 86  GLN   A C   1 
ATOM   738  C  C   B GLN   A 1 86  ? 30.868 -1.850  50.887 0.42 7.97  ? 86  GLN   A C   1 
ATOM   739  O  O   A GLN   A 1 86  ? 31.017 -1.753  49.675 0.58 10.02 ? 86  GLN   A O   1 
ATOM   740  O  O   B GLN   A 1 86  ? 31.016 -1.755  49.673 0.42 9.99  ? 86  GLN   A O   1 
ATOM   741  C  CB  A GLN   A 1 86  ? 29.595 -0.099  52.076 0.58 10.26 ? 86  GLN   A CB  1 
ATOM   742  C  CB  B GLN   A 1 86  ? 29.582 -0.109  52.039 0.42 10.25 ? 86  GLN   A CB  1 
ATOM   743  C  CG  A GLN   A 1 86  ? 29.596 1.119   52.987 0.58 10.47 ? 86  GLN   A CG  1 
ATOM   744  C  CG  B GLN   A 1 86  ? 29.535 1.120   52.931 0.42 10.46 ? 86  GLN   A CG  1 
ATOM   745  C  CD  A GLN   A 1 86  ? 28.231 1.746   53.109 0.58 12.17 ? 86  GLN   A CD  1 
ATOM   746  C  CD  B GLN   A 1 86  ? 30.029 0.795   54.317 0.42 13.46 ? 86  GLN   A CD  1 
ATOM   747  O  OE1 A GLN   A 1 86  ? 28.090 2.966   53.155 0.58 18.27 ? 86  GLN   A OE1 1 
ATOM   748  O  OE1 B GLN   A 1 86  ? 30.067 -0.363  54.727 0.42 18.38 ? 86  GLN   A OE1 1 
ATOM   749  N  NE2 A GLN   A 1 86  ? 27.210 0.908   53.161 0.58 12.43 ? 86  GLN   A NE2 1 
ATOM   750  N  NE2 B GLN   A 1 86  ? 30.417 1.822   55.054 0.42 20.02 ? 86  GLN   A NE2 1 
ATOM   751  N  N   . ASP   A 1 87  ? 30.766 -2.996  51.553 1.00 8.22  ? 87  ASP   A N   1 
ATOM   752  C  CA  . ASP   A 1 87  ? 30.489 -4.272  50.848 1.00 8.46  ? 87  ASP   A CA  1 
ATOM   753  C  C   . ASP   A 1 87  ? 28.981 -4.560  50.873 1.00 12.18 ? 87  ASP   A C   1 
ATOM   754  O  O   . ASP   A 1 87  ? 28.516 -5.268  50.006 1.00 12.21 ? 87  ASP   A O   1 
ATOM   755  C  CB  . ASP   A 1 87  ? 31.193 -5.426  51.551 1.00 8.89  ? 87  ASP   A CB  1 
ATOM   756  C  CG  . ASP   A 1 87  ? 32.707 -5.291  51.530 1.00 11.27 ? 87  ASP   A CG  1 
ATOM   757  O  OD1 . ASP   A 1 87  ? 33.230 -4.828  50.511 1.00 11.14 ? 87  ASP   A OD1 1 
ATOM   758  O  OD2 . ASP   A 1 87  ? 33.338 -5.652  52.537 1.00 14.22 ? 87  ASP   A OD2 1 
ATOM   759  N  N   . GLU   A 1 88  ? 28.297 -4.043  51.892 1.00 9.45  ? 88  GLU   A N   1 
ATOM   760  C  CA  . GLU   A 1 88  ? 26.824 -4.217  52.063 1.00 9.87  ? 88  GLU   A CA  1 
ATOM   761  C  C   . GLU   A 1 88  ? 26.272 -2.801  52.231 1.00 10.35 ? 88  GLU   A C   1 
ATOM   762  O  O   . GLU   A 1 88  ? 26.867 -2.042  52.946 1.00 13.05 ? 88  GLU   A O   1 
ATOM   763  C  CB  . GLU   A 1 88  ? 26.524 -5.141  53.237 1.00 14.30 ? 88  GLU   A CB  1 
ATOM   764  C  CG  . GLU   A 1 88  ? 27.109 -6.517  53.042 1.00 20.59 ? 88  GLU   A CG  1 
ATOM   765  C  CD  . GLU   A 1 88  ? 26.726 -7.474  54.149 1.00 43.50 ? 88  GLU   A CD  1 
ATOM   766  O  OE1 . GLU   A 1 88  ? 27.021 -7.163  55.305 1.00 42.29 ? 88  GLU   A OE1 1 
ATOM   767  O  OE2 . GLU   A 1 88  ? 26.143 -8.520  53.843 1.00 33.29 ? 88  GLU   A OE2 1 
ATOM   768  N  N   . TRP   A 1 89  ? 25.108 -2.517  51.661 1.00 8.87  ? 89  TRP   A N   1 
ATOM   769  C  CA  . TRP   A 1 89  ? 24.675 -1.095  51.524 1.00 8.81  ? 89  TRP   A CA  1 
ATOM   770  C  C   . TRP   A 1 89  ? 23.405 -0.785  52.325 1.00 10.14 ? 89  TRP   A C   1 
ATOM   771  O  O   . TRP   A 1 89  ? 22.906 0.311   52.213 1.00 10.65 ? 89  TRP   A O   1 
ATOM   772  C  CB  . TRP   A 1 89  ? 24.523 -0.745  50.047 1.00 8.68  ? 89  TRP   A CB  1 
ATOM   773  C  CG  . TRP   A 1 89  ? 25.825 -0.807  49.309 1.00 8.80  ? 89  TRP   A CG  1 
ATOM   774  C  CD1 . TRP   A 1 89  ? 26.291 -1.838  48.547 1.00 8.51  ? 89  TRP   A CD1 1 
ATOM   775  C  CD2 . TRP   A 1 89  ? 26.839 0.211   49.269 1.00 8.30  ? 89  TRP   A CD2 1 
ATOM   776  N  NE1 . TRP   A 1 89  ? 27.513 -1.524  48.021 1.00 7.05  ? 89  TRP   A NE1 1 
ATOM   777  C  CE2 . TRP   A 1 89  ? 27.875 -0.278  48.448 1.00 7.54  ? 89  TRP   A CE2 1 
ATOM   778  C  CE3 . TRP   A 1 89  ? 26.962 1.489   49.822 1.00 7.52  ? 89  TRP   A CE3 1 
ATOM   779  C  CZ2 . TRP   A 1 89  ? 29.022 0.461   48.180 1.00 9.39  ? 89  TRP   A CZ2 1 
ATOM   780  C  CZ3 . TRP   A 1 89  ? 28.099 2.216   49.561 1.00 10.10 ? 89  TRP   A CZ3 1 
ATOM   781  C  CH2 . TRP   A 1 89  ? 29.113 1.706   48.751 1.00 9.57  ? 89  TRP   A CH2 1 
ATOM   782  N  N   . GLY   A 1 90  ? 22.986 -1.734  53.144 1.00 9.79  ? 90  GLY   A N   1 
ATOM   783  C  CA  . GLY   A 1 90  ? 21.838 -1.484  54.039 1.00 8.47  ? 90  GLY   A CA  1 
ATOM   784  C  C   . GLY   A 1 90  ? 20.504 -1.367  53.325 1.00 7.97  ? 90  GLY   A C   1 
ATOM   785  O  O   . GLY   A 1 90  ? 20.233 -2.159  52.457 1.00 9.66  ? 90  GLY   A O   1 
ATOM   786  N  N   . THR   A 1 91  ? 19.699 -0.428  53.790 1.00 7.72  ? 91  THR   A N   1 
ATOM   787  C  CA  . THR   A 1 91  ? 18.368 -0.260  53.184 1.00 9.39  ? 91  THR   A CA  1 
ATOM   788  C  C   . THR   A 1 91  ? 18.437 0.618   51.932 1.00 8.13  ? 91  THR   A C   1 
ATOM   789  O  O   . THR   A 1 91  ? 19.459 1.205   51.676 1.00 9.30  ? 91  THR   A O   1 
ATOM   790  C  CB  . THR   A 1 91  ? 17.397 0.384   54.177 1.00 10.88 ? 91  THR   A CB  1 
ATOM   791  O  OG1 . THR   A 1 91  ? 17.894 1.675   54.513 1.00 9.94  ? 91  THR   A OG1 1 
ATOM   792  C  CG2 . THR   A 1 91  ? 17.238 -0.424  55.442 1.00 12.72 ? 91  THR   A CG2 1 
ATOM   793  N  N   . THR   A 1 92  ? 17.313 0.680   51.231 1.00 8.28  ? 92  THR   A N   1 
ATOM   794  C  CA  . THR   A 1 92  ? 17.245 1.614   50.079 1.00 7.00  ? 92  THR   A CA  1 
ATOM   795  C  C   . THR   A 1 92  ? 17.574 3.034   50.561 1.00 7.62  ? 92  THR   A C   1 
ATOM   796  O  O   . THR   A 1 92  ? 18.237 3.745   49.852 1.00 8.52  ? 92  THR   A O   1 
ATOM   797  C  CB  . THR   A 1 92  ? 15.855 1.571   49.420 1.00 8.41  ? 92  THR   A CB  1 
ATOM   798  O  OG1 . THR   A 1 92  ? 15.566 0.237   49.014 1.00 9.08  ? 92  THR   A OG1 1 
ATOM   799  C  CG2 . THR   A 1 92  ? 15.763 2.477   48.211 1.00 7.42  ? 92  THR   A CG2 1 
ATOM   800  N  N   . LEU   A 1 93  ? 17.081 3.376   51.747 1.00 8.24  ? 93  LEU   A N   1 
ATOM   801  C  CA  . LEU   A 1 93  ? 17.378 4.723   52.310 1.00 7.79  ? 93  LEU   A CA  1 
ATOM   802  C  C   . LEU   A 1 93  ? 18.886 4.919   52.530 1.00 8.95  ? 93  LEU   A C   1 
ATOM   803  O  O   . LEU   A 1 93  ? 19.404 5.950   52.161 1.00 9.20  ? 93  LEU   A O   1 
ATOM   804  C  CB  . LEU   A 1 93  ? 16.594 4.873   53.621 1.00 8.80  ? 93  LEU   A CB  1 
ATOM   805  C  CG  . LEU   A 1 93  ? 16.762 6.198   54.359 1.00 13.19 ? 93  LEU   A CG  1 
ATOM   806  C  CD1 . LEU   A 1 93  ? 16.461 7.368   53.440 1.00 16.40 ? 93  LEU   A CD1 1 
ATOM   807  C  CD2 . LEU   A 1 93  ? 15.848 6.235   55.569 1.00 16.07 ? 93  LEU   A CD2 1 
ATOM   808  N  N   . ASP   A 1 94  ? 19.507 3.925   53.133 1.00 8.09  ? 94  ASP   A N   1 
ATOM   809  C  CA  . ASP   A 1 94  ? 20.963 4.038   53.383 1.00 8.45  ? 94  ASP   A CA  1 
ATOM   810  C  C   . ASP   A 1 94  ? 21.675 4.214   52.047 1.00 10.50 ? 94  ASP   A C   1 
ATOM   811  O  O   . ASP   A 1 94  ? 22.606 4.990   51.965 1.00 9.25  ? 94  ASP   A O   1 
ATOM   812  C  CB  . ASP   A 1 94  ? 21.485 2.767   54.046 1.00 8.61  ? 94  ASP   A CB  1 
ATOM   813  C  CG  . ASP   A 1 94  ? 21.016 2.538   55.471 1.00 12.50 ? 94  ASP   A CG  1 
ATOM   814  O  OD1 . ASP   A 1 94  ? 20.879 3.517   56.210 1.00 14.46 ? 94  ASP   A OD1 1 
ATOM   815  O  OD2 . ASP   A 1 94  ? 20.830 1.379   55.823 1.00 12.37 ? 94  ASP   A OD2 1 
ATOM   816  N  N   . ALA   A 1 95  ? 21.255 3.439   51.062 1.00 6.66  ? 95  ALA   A N   1 
ATOM   817  C  CA  . ALA   A 1 95  ? 21.941 3.469   49.757 1.00 7.90  ? 95  ALA   A CA  1 
ATOM   818  C  C   . ALA   A 1 95  ? 21.746 4.812   49.045 1.00 8.10  ? 95  ALA   A C   1 
ATOM   819  O  O   . ALA   A 1 95  ? 22.683 5.313   48.480 1.00 8.91  ? 95  ALA   A O   1 
ATOM   820  C  CB  . ALA   A 1 95  ? 21.404 2.309   48.939 1.00 7.97  ? 95  ALA   A CB  1 
ATOM   821  N  N   . MET   A 1 96  ? 20.515 5.302   49.084 1.00 8.33  ? 96  MET   A N   1 
ATOM   822  C  CA  . MET   A 1 96  ? 20.246 6.584   48.412 1.00 7.11  ? 96  MET   A CA  1 
ATOM   823  C  C   . MET   A 1 96  ? 21.005 7.721   49.130 1.00 8.69  ? 96  MET   A C   1 
ATOM   824  O  O   . MET   A 1 96  ? 21.435 8.627   48.466 1.00 9.01  ? 96  MET   A O   1 
ATOM   825  C  CB  . MET   A 1 96  ? 18.732 6.850   48.363 1.00 7.13  ? 96  MET   A CB  1 
ATOM   826  C  CG  . MET   A 1 96  ? 18.326 7.939   47.380 1.00 7.48  ? 96  MET   A CG  1 
ATOM   827  S  SD  . MET   A 1 96  ? 18.615 7.452   45.655 1.00 10.27 ? 96  MET   A SD  1 
ATOM   828  C  CE  . MET   A 1 96  ? 17.403 6.143   45.463 1.00 10.24 ? 96  MET   A CE  1 
ATOM   829  N  N   . LYS   A 1 97  ? 21.118 7.644   50.450 1.00 8.23  ? 97  LYS   A N   1 
ATOM   830  C  CA  . LYS   A 1 97  ? 21.936 8.657   51.173 1.00 9.80  ? 97  LYS   A CA  1 
ATOM   831  C  C   . LYS   A 1 97  ? 23.408 8.573   50.742 1.00 9.82  ? 97  LYS   A C   1 
ATOM   832  O  O   . LYS   A 1 97  ? 24.004 9.611   50.523 1.00 10.05 ? 97  LYS   A O   1 
ATOM   833  C  CB  . LYS   A 1 97  ? 21.830 8.446   52.684 1.00 10.11 ? 97  LYS   A CB  1 
ATOM   834  C  CG  . LYS   A 1 97  ? 20.515 8.861   53.331 1.00 13.29 ? 97  LYS   A CG  1 
ATOM   835  C  CD  . LYS   A 1 97  ? 20.477 8.473   54.789 1.00 18.22 ? 97  LYS   A CD  1 
ATOM   836  C  CE  . LYS   A 1 97  ? 19.234 8.935   55.516 1.00 38.49 ? 97  LYS   A CE  1 
ATOM   837  N  NZ  . LYS   A 1 97  ? 19.101 8.277   56.840 1.00 41.73 ? 97  LYS   A NZ  1 
ATOM   838  N  N   . ALA   A 1 98  ? 23.933 7.355   50.631 1.00 8.99  ? 98  ALA   A N   1 
ATOM   839  C  CA  . ALA   A 1 98  ? 25.337 7.191   50.192 1.00 9.31  ? 98  ALA   A CA  1 
ATOM   840  C  C   . ALA   A 1 98  ? 25.518 7.748   48.780 1.00 10.07 ? 98  ALA   A C   1 
ATOM   841  O  O   . ALA   A 1 98  ? 26.544 8.326   48.511 1.00 9.91  ? 98  ALA   A O   1 
ATOM   842  C  CB  . ALA   A 1 98  ? 25.730 5.728   50.263 1.00 10.28 ? 98  ALA   A CB  1 
ATOM   843  N  N   . ALA   A 1 99  ? 24.520 7.534   47.930 1.00 8.58  ? 99  ALA   A N   1 
ATOM   844  C  CA  . ALA   A 1 99  ? 24.625 8.005   46.534 1.00 8.58  ? 99  ALA   A CA  1 
ATOM   845  C  C   . ALA   A 1 99  ? 24.622 9.540   46.458 1.00 9.00  ? 99  ALA   A C   1 
ATOM   846  O  O   . ALA   A 1 99  ? 25.374 10.086  45.695 1.00 9.76  ? 99  ALA   A O   1 
ATOM   847  C  CB  . ALA   A 1 99  ? 23.474 7.419   45.746 1.00 11.24 ? 99  ALA   A CB  1 
ATOM   848  N  N   . ILE   A 1 100 ? 23.779 10.156  47.267 1.00 9.57  ? 100 ILE   A N   1 
ATOM   849  C  CA  A ILE   A 1 100 ? 23.757 11.645  47.258 0.53 7.79  ? 100 ILE   A CA  1 
ATOM   850  C  CA  B ILE   A 1 100 ? 23.751 11.648  47.286 0.47 7.80  ? 100 ILE   A CA  1 
ATOM   851  C  C   . ILE   A 1 100 ? 25.094 12.239  47.784 1.00 8.29  ? 100 ILE   A C   1 
ATOM   852  O  O   . ILE   A 1 100 ? 25.712 13.265  47.304 1.00 11.01 ? 100 ILE   A O   1 
ATOM   853  C  CB  A ILE   A 1 100 ? 22.507 12.184  47.986 0.53 7.99  ? 100 ILE   A CB  1 
ATOM   854  C  CB  B ILE   A 1 100 ? 22.560 12.152  48.124 0.47 8.06  ? 100 ILE   A CB  1 
ATOM   855  C  CG1 A ILE   A 1 100 ? 22.184 13.608  47.525 0.53 15.14 ? 100 ILE   A CG1 1 
ATOM   856  C  CG1 B ILE   A 1 100 ? 21.235 11.926  47.397 0.47 8.45  ? 100 ILE   A CG1 1 
ATOM   857  C  CG2 A ILE   A 1 100 ? 22.663 12.114  49.490 0.53 6.90  ? 100 ILE   A CG2 1 
ATOM   858  C  CG2 B ILE   A 1 100 ? 22.756 13.613  48.503 0.47 10.57 ? 100 ILE   A CG2 1 
ATOM   859  C  CD1 A ILE   A 1 100 ? 20.739 14.012  47.709 0.53 12.29 ? 100 ILE   A CD1 1 
ATOM   860  C  CD1 B ILE   A 1 100 ? 20.020 12.120  48.268 0.47 9.40  ? 100 ILE   A CD1 1 
ATOM   861  N  N   . VAL   A 1 101 ? 25.617 11.558  48.793 1.00 7.42  ? 101 VAL   A N   1 
ATOM   862  C  CA  . VAL   A 1 101 ? 26.961 11.955  49.308 1.00 8.77  ? 101 VAL   A CA  1 
ATOM   863  C  C   . VAL   A 1 101 ? 27.991 11.802  48.178 1.00 9.45  ? 101 VAL   A C   1 
ATOM   864  O  O   . VAL   A 1 101 ? 28.785 12.718  47.967 1.00 10.35 ? 101 VAL   A O   1 
ATOM   865  C  CB  . VAL   A 1 101 ? 27.332 11.150  50.563 1.00 10.78 ? 101 VAL   A CB  1 
ATOM   866  C  CG1 . VAL   A 1 101 ? 28.801 11.320  50.923 1.00 11.50 ? 101 VAL   A CG1 1 
ATOM   867  C  CG2 . VAL   A 1 101 ? 26.449 11.510  51.748 1.00 11.49 ? 101 VAL   A CG2 1 
ATOM   868  N  N   . LEU   A 1 102 ? 27.947 10.687  47.470 1.00 8.64  ? 102 LEU   A N   1 
ATOM   869  C  CA  . LEU   A 1 102 ? 28.885 10.468  46.344 1.00 8.37  ? 102 LEU   A CA  1 
ATOM   870  C  C   . LEU   A 1 102 ? 28.688 11.564  45.290 1.00 9.99  ? 102 LEU   A C   1 
ATOM   871  O  O   . LEU   A 1 102 ? 29.662 12.124  44.828 1.00 9.60  ? 102 LEU   A O   1 
ATOM   872  C  CB  . LEU   A 1 102 ? 28.635 9.057   45.773 1.00 10.18 ? 102 LEU   A CB  1 
ATOM   873  C  CG  . LEU   A 1 102 ? 29.425 8.655   44.532 1.00 11.10 ? 102 LEU   A CG  1 
ATOM   874  C  CD1 . LEU   A 1 102 ? 30.916 8.844   44.756 1.00 16.03 ? 102 LEU   A CD1 1 
ATOM   875  C  CD2 . LEU   A 1 102 ? 29.124 7.209   44.162 1.00 12.92 ? 102 LEU   A CD2 1 
ATOM   876  N  N   . GLU   A 1 103 ? 27.442 11.806  44.911 1.00 9.86  ? 103 GLU   A N   1 
ATOM   877  C  CA  . GLU   A 1 103 ? 27.185 12.809  43.842 1.00 8.88  ? 103 GLU   A CA  1 
ATOM   878  C  C   . GLU   A 1 103 ? 27.634 14.229  44.243 1.00 8.45  ? 103 GLU   A C   1 
ATOM   879  O  O   . GLU   A 1 103 ? 28.175 14.921  43.399 1.00 10.57 ? 103 GLU   A O   1 
ATOM   880  C  CB  . GLU   A 1 103 ? 25.711 12.814  43.447 1.00 9.02  ? 103 GLU   A CB  1 
ATOM   881  C  CG  . GLU   A 1 103 ? 25.312 11.540  42.721 1.00 9.61  ? 103 GLU   A CG  1 
ATOM   882  C  CD  . GLU   A 1 103 ? 26.172 11.172  41.525 1.00 12.85 ? 103 GLU   A CD  1 
ATOM   883  O  OE1 . GLU   A 1 103 ? 26.598 12.071  40.806 1.00 11.50 ? 103 GLU   A OE1 1 
ATOM   884  O  OE2 . GLU   A 1 103 ? 26.392 9.984   41.311 1.00 13.14 ? 103 GLU   A OE2 1 
ATOM   885  N  N   . LYS   A 1 104 ? 27.410 14.606  45.485 1.00 8.76  ? 104 LYS   A N   1 
ATOM   886  C  CA  . LYS   A 1 104 ? 27.874 15.945  45.935 1.00 8.35  ? 104 LYS   A CA  1 
ATOM   887  C  C   . LYS   A 1 104 ? 29.401 16.038  45.848 1.00 11.50 ? 104 LYS   A C   1 
ATOM   888  O  O   . LYS   A 1 104 ? 29.916 17.090  45.612 1.00 9.71  ? 104 LYS   A O   1 
ATOM   889  C  CB  . LYS   A 1 104 ? 27.403 16.204  47.366 1.00 10.33 ? 104 LYS   A CB  1 
ATOM   890  C  CG  . LYS   A 1 104 ? 25.937 16.593  47.484 1.00 15.05 ? 104 LYS   A CG  1 
ATOM   891  C  CD  . LYS   A 1 104 ? 25.470 16.626  48.917 1.00 19.54 ? 104 LYS   A CD  1 
ATOM   892  C  CE  . LYS   A 1 104 ? 24.090 17.221  49.084 1.00 25.28 ? 104 LYS   A CE  1 
ATOM   893  N  NZ  . LYS   A 1 104 ? 23.669 17.190  50.504 1.00 23.91 ? 104 LYS   A NZ  1 
ATOM   894  N  N   . SER   A 1 105 ? 30.050 14.924  46.142 1.00 10.81 ? 105 SER   A N   1 
ATOM   895  C  CA  A SER   A 1 105 ? 31.533 14.914  46.033 0.68 10.29 ? 105 SER   A CA  1 
ATOM   896  C  CA  B SER   A 1 105 ? 31.533 14.910  46.031 0.32 10.33 ? 105 SER   A CA  1 
ATOM   897  C  C   . SER   A 1 105 ? 32.018 15.112  44.571 1.00 9.10  ? 105 SER   A C   1 
ATOM   898  O  O   . SER   A 1 105 ? 33.011 15.840  44.173 1.00 10.14 ? 105 SER   A O   1 
ATOM   899  C  CB  A SER   A 1 105 ? 32.115 13.663  46.668 0.68 9.62  ? 105 SER   A CB  1 
ATOM   900  C  CB  B SER   A 1 105 ? 32.107 13.648  46.642 0.32 9.73  ? 105 SER   A CB  1 
ATOM   901  O  OG  A SER   A 1 105 ? 32.031 12.554  45.786 0.68 10.71 ? 105 SER   A OG  1 
ATOM   902  O  OG  B SER   A 1 105 ? 32.087 13.723  48.057 0.32 14.44 ? 105 SER   A OG  1 
ATOM   903  N  N   . LEU   A 1 106 ? 31.304 14.455  43.659 1.00 9.11  ? 106 LEU   A N   1 
ATOM   904  C  CA  . LEU   A 1 106 ? 31.648 14.602  42.219 1.00 9.40  ? 106 LEU   A CA  1 
ATOM   905  C  C   . LEU   A 1 106 ? 31.343 16.045  41.792 1.00 9.19  ? 106 LEU   A C   1 
ATOM   906  O  O   . LEU   A 1 106 ? 32.107 16.617  41.071 1.00 8.93  ? 106 LEU   A O   1 
ATOM   907  C  CB  . LEU   A 1 106 ? 30.857 13.601  41.355 1.00 11.45 ? 106 LEU   A CB  1 
ATOM   908  C  CG  . LEU   A 1 106 ? 31.234 12.126  41.467 1.00 12.80 ? 106 LEU   A CG  1 
ATOM   909  C  CD1 . LEU   A 1 106 ? 30.335 11.301  40.562 1.00 14.22 ? 106 LEU   A CD1 1 
ATOM   910  C  CD2 . LEU   A 1 106 ? 32.693 11.903  41.095 1.00 13.57 ? 106 LEU   A CD2 1 
ATOM   911  N  N   . ASN   A 1 107 ? 30.205 16.552  42.262 1.00 8.58  ? 107 ASN   A N   1 
ATOM   912  C  CA  . ASN   A 1 107 ? 29.801 17.929  41.896 1.00 7.45  ? 107 ASN   A CA  1 
ATOM   913  C  C   . ASN   A 1 107 ? 30.851 18.936  42.395 1.00 6.84  ? 107 ASN   A C   1 
ATOM   914  O  O   . ASN   A 1 107 ? 31.185 19.842  41.678 1.00 6.86  ? 107 ASN   A O   1 
ATOM   915  C  CB  . ASN   A 1 107 ? 28.397 18.204  42.447 1.00 8.66  ? 107 ASN   A CB  1 
ATOM   916  C  CG  . ASN   A 1 107 ? 27.723 19.353  41.735 1.00 8.24  ? 107 ASN   A CG  1 
ATOM   917  O  OD1 . ASN   A 1 107 ? 27.900 19.519  40.537 1.00 10.23 ? 107 ASN   A OD1 1 
ATOM   918  N  ND2 . ASN   A 1 107 ? 26.966 20.139  42.474 1.00 10.02 ? 107 ASN   A ND2 1 
ATOM   919  N  N   . GLN   A 1 108 ? 31.302 18.720  43.624 1.00 9.03  ? 108 GLN   A N   1 
ATOM   920  C  CA  . GLN   A 1 108 ? 32.322 19.659  44.146 1.00 7.06  ? 108 GLN   A CA  1 
ATOM   921  C  C   . GLN   A 1 108 ? 33.601 19.580  43.291 1.00 8.30  ? 108 GLN   A C   1 
ATOM   922  O  O   . GLN   A 1 108 ? 34.223 20.594  43.045 1.00 7.73  ? 108 GLN   A O   1 
ATOM   923  C  CB  . GLN   A 1 108 ? 32.593 19.386  45.632 1.00 7.98  ? 108 GLN   A CB  1 
ATOM   924  C  CG  . GLN   A 1 108 ? 33.451 20.472  46.268 1.00 9.92  ? 108 GLN   A CG  1 
ATOM   925  C  CD  . GLN   A 1 108 ? 32.794 21.825  46.145 1.00 11.40 ? 108 GLN   A CD  1 
ATOM   926  O  OE1 . GLN   A 1 108 ? 31.676 22.028  46.593 1.00 13.31 ? 108 GLN   A OE1 1 
ATOM   927  N  NE2 . GLN   A 1 108 ? 33.489 22.762  45.523 1.00 12.13 ? 108 GLN   A NE2 1 
ATOM   928  N  N   . ALA   A 1 109 ? 33.949 18.367  42.872 1.00 7.81  ? 109 ALA   A N   1 
ATOM   929  C  CA  . ALA   A 1 109 ? 35.145 18.203  42.009 1.00 7.19  ? 109 ALA   A CA  1 
ATOM   930  C  C   . ALA   A 1 109 ? 34.933 18.905  40.651 1.00 8.73  ? 109 ALA   A C   1 
ATOM   931  O  O   . ALA   A 1 109 ? 35.882 19.481  40.137 1.00 9.24  ? 109 ALA   A O   1 
ATOM   932  C  CB  . ALA   A 1 109 ? 35.473 16.726  41.845 1.00 7.03  ? 109 ALA   A CB  1 
ATOM   933  N  N   . LEU   A 1 110 ? 33.719 18.810  40.109 1.00 8.86  ? 110 LEU   A N   1 
ATOM   934  C  CA  . LEU   A 1 110 ? 33.434 19.552  38.854 1.00 7.19  ? 110 LEU   A CA  1 
ATOM   935  C  C   . LEU   A 1 110 ? 33.581 21.063  39.085 1.00 8.54  ? 110 LEU   A C   1 
ATOM   936  O  O   . LEU   A 1 110 ? 34.089 21.751  38.232 1.00 8.76  ? 110 LEU   A O   1 
ATOM   937  C  CB  . LEU   A 1 110 ? 31.991 19.253  38.432 1.00 8.11  ? 110 LEU   A CB  1 
ATOM   938  C  CG  . LEU   A 1 110 ? 31.672 17.834  37.966 1.00 9.97  ? 110 LEU   A CG  1 
ATOM   939  C  CD1 . LEU   A 1 110 ? 30.175 17.688  37.736 1.00 10.99 ? 110 LEU   A CD1 1 
ATOM   940  C  CD2 . LEU   A 1 110 ? 32.431 17.508  36.690 1.00 10.94 ? 110 LEU   A CD2 1 
ATOM   941  N  N   . LEU   A 1 111 ? 33.026 21.532  40.202 1.00 8.10  ? 111 LEU   A N   1 
ATOM   942  C  CA  . LEU   A 1 111 ? 33.063 22.988  40.490 1.00 7.88  ? 111 LEU   A CA  1 
ATOM   943  C  C   . LEU   A 1 111 ? 34.511 23.447  40.690 1.00 8.37  ? 111 LEU   A C   1 
ATOM   944  O  O   . LEU   A 1 111 ? 34.846 24.536  40.278 1.00 9.72  ? 111 LEU   A O   1 
ATOM   945  C  CB  . LEU   A 1 111 ? 32.217 23.254  41.745 1.00 8.03  ? 111 LEU   A CB  1 
ATOM   946  C  CG  . LEU   A 1 111 ? 30.721 23.017  41.563 1.00 7.29  ? 111 LEU   A CG  1 
ATOM   947  C  CD1 . LEU   A 1 111 ? 29.980 23.147  42.884 1.00 10.21 ? 111 LEU   A CD1 1 
ATOM   948  C  CD2 . LEU   A 1 111 ? 30.151 23.965  40.519 1.00 9.63  ? 111 LEU   A CD2 1 
ATOM   949  N  N   . ASP   A 1 112 ? 35.282 22.614  41.359 1.00 8.00  ? 112 ASP   A N   1 
ATOM   950  C  CA  . ASP   A 1 112 ? 36.699 22.967  41.608 1.00 8.16  ? 112 ASP   A CA  1 
ATOM   951  C  C   . ASP   A 1 112 ? 37.450 23.052  40.269 1.00 8.33  ? 112 ASP   A C   1 
ATOM   952  O  O   . ASP   A 1 112 ? 38.248 23.949  40.092 1.00 10.08 ? 112 ASP   A O   1 
ATOM   953  C  CB  . ASP   A 1 112 ? 37.330 21.941  42.544 1.00 10.23 ? 112 ASP   A CB  1 
ATOM   954  C  CG  . ASP   A 1 112 ? 36.861 21.981  43.989 1.00 11.56 ? 112 ASP   A CG  1 
ATOM   955  O  OD1 . ASP   A 1 112 ? 36.205 22.955  44.374 1.00 12.26 ? 112 ASP   A OD1 1 
ATOM   956  O  OD2 . ASP   A 1 112 ? 37.178 21.030  44.709 1.00 14.53 ? 112 ASP   A OD2 1 
ATOM   957  N  N   . LEU   A 1 113 ? 37.172 22.111  39.376 1.00 8.63  ? 113 LEU   A N   1 
ATOM   958  C  CA  . LEU   A 1 113 ? 37.860 22.115  38.063 1.00 9.94  ? 113 LEU   A CA  1 
ATOM   959  C  C   . LEU   A 1 113 ? 37.386 23.319  37.236 1.00 9.05  ? 113 LEU   A C   1 
ATOM   960  O  O   . LEU   A 1 113 ? 38.170 23.898  36.541 1.00 10.65 ? 113 LEU   A O   1 
ATOM   961  C  CB  . LEU   A 1 113 ? 37.585 20.789  37.348 1.00 10.08 ? 113 LEU   A CB  1 
ATOM   962  C  CG  . LEU   A 1 113 ? 38.213 20.637  35.964 1.00 10.27 ? 113 LEU   A CG  1 
ATOM   963  C  CD1 . LEU   A 1 113 ? 39.711 20.894  36.022 1.00 10.72 ? 113 LEU   A CD1 1 
ATOM   964  C  CD2 . LEU   A 1 113 ? 37.927 19.255  35.399 1.00 10.72 ? 113 LEU   A CD2 1 
ATOM   965  N  N   . HIS   A 1 114 ? 36.095 23.637  37.329 1.00 9.12  ? 114 HIS   A N   1 
ATOM   966  C  CA  . HIS   A 1 114 ? 35.594 24.836  36.624 1.00 9.29  ? 114 HIS   A CA  1 
ATOM   967  C  C   . HIS   A 1 114 ? 36.336 26.082  37.126 1.00 10.70 ? 114 HIS   A C   1 
ATOM   968  O  O   . HIS   A 1 114 ? 36.686 26.922  36.341 1.00 10.79 ? 114 HIS   A O   1 
ATOM   969  C  CB  . HIS   A 1 114 ? 34.070 24.940  36.802 1.00 10.16 ? 114 HIS   A CB  1 
ATOM   970  C  CG  . HIS   A 1 114 ? 33.469 25.960  35.904 1.00 10.56 ? 114 HIS   A CG  1 
ATOM   971  N  ND1 . HIS   A 1 114 ? 33.572 27.308  36.159 1.00 11.53 ? 114 HIS   A ND1 1 
ATOM   972  C  CD2 . HIS   A 1 114 ? 32.810 25.840  34.736 1.00 9.53  ? 114 HIS   A CD2 1 
ATOM   973  C  CE1 . HIS   A 1 114 ? 32.972 27.970  35.201 1.00 8.57  ? 114 HIS   A CE1 1 
ATOM   974  N  NE2 . HIS   A 1 114 ? 32.501 27.098  34.315 1.00 10.80 ? 114 HIS   A NE2 1 
ATOM   975  N  N   . ALA   A 1 115 ? 36.477 26.164  38.435 1.00 10.66 ? 115 ALA   A N   1 
ATOM   976  C  CA  . ALA   A 1 115 ? 37.160 27.342  39.003 1.00 8.85  ? 115 ALA   A CA  1 
ATOM   977  C  C   . ALA   A 1 115 ? 38.627 27.411  38.544 1.00 9.54  ? 115 ALA   A C   1 
ATOM   978  O  O   . ALA   A 1 115 ? 39.113 28.507  38.345 1.00 11.39 ? 115 ALA   A O   1 
ATOM   979  C  CB  . ALA   A 1 115 ? 37.024 27.294  40.515 1.00 9.25  ? 115 ALA   A CB  1 
ATOM   980  N  N   . LEU   A 1 116 ? 39.291 26.269  38.458 1.00 10.18 ? 116 LEU   A N   1 
ATOM   981  C  CA  . LEU   A 1 116 ? 40.691 26.242  37.966 1.00 9.37  ? 116 LEU   A CA  1 
ATOM   982  C  C   . LEU   A 1 116 ? 40.720 26.707  36.506 1.00 10.64 ? 116 LEU   A C   1 
ATOM   983  O  O   . LEU   A 1 116 ? 41.541 27.526  36.150 1.00 11.38 ? 116 LEU   A O   1 
ATOM   984  C  CB  . LEU   A 1 116 ? 41.207 24.803  38.116 1.00 11.29 ? 116 LEU   A CB  1 
ATOM   985  C  CG  . LEU   A 1 116 ? 42.585 24.530  37.523 1.00 13.11 ? 116 LEU   A CG  1 
ATOM   986  C  CD1 . LEU   A 1 116 ? 43.636 25.417  38.166 1.00 13.08 ? 116 LEU   A CD1 1 
ATOM   987  C  CD2 . LEU   A 1 116 ? 42.957 23.068  37.684 1.00 13.23 ? 116 LEU   A CD2 1 
ATOM   988  N  N   . GLY   A 1 117 ? 39.774 26.203  35.729 1.00 10.21 ? 117 GLY   A N   1 
ATOM   989  C  CA  . GLY   A 1 117 ? 39.707 26.642  34.329 1.00 9.91  ? 117 GLY   A CA  1 
ATOM   990  C  C   . GLY   A 1 117 ? 39.476 28.130  34.180 1.00 9.93  ? 117 GLY   A C   1 
ATOM   991  O  O   . GLY   A 1 117 ? 40.057 28.741  33.301 1.00 11.79 ? 117 GLY   A O   1 
ATOM   992  N  N   . SER   A 1 118 ? 38.569 28.639  34.997 1.00 10.28 ? 118 SER   A N   1 
ATOM   993  C  CA  A SER   A 1 118 ? 38.307 30.097  34.982 0.70 11.21 ? 118 SER   A CA  1 
ATOM   994  C  CA  B SER   A 1 118 ? 38.305 30.099  34.988 0.30 11.32 ? 118 SER   A CA  1 
ATOM   995  C  C   . SER   A 1 118 ? 39.577 30.909  35.346 1.00 13.94 ? 118 SER   A C   1 
ATOM   996  O  O   . SER   A 1 118 ? 40.070 31.925  34.704 1.00 14.22 ? 118 SER   A O   1 
ATOM   997  C  CB  A SER   A 1 118 ? 37.163 30.419  35.908 0.70 15.50 ? 118 SER   A CB  1 
ATOM   998  C  CB  B SER   A 1 118 ? 37.175 30.435  35.932 0.30 15.44 ? 118 SER   A CB  1 
ATOM   999  O  OG  A SER   A 1 118 ? 36.868 31.805  35.860 0.70 16.69 ? 118 SER   A OG  1 
ATOM   1000 O  OG  B SER   A 1 118 ? 36.095 29.530  35.785 0.30 12.46 ? 118 SER   A OG  1 
ATOM   1001 N  N   . ALA   A 1 119 ? 40.244 30.428  36.394 1.00 11.93 ? 119 ALA   A N   1 
ATOM   1002 C  CA  . ALA   A 1 119 ? 41.499 31.097  36.839 1.00 14.69 ? 119 ALA   A CA  1 
ATOM   1003 C  C   . ALA   A 1 119 ? 42.576 31.038  35.753 1.00 17.21 ? 119 ALA   A C   1 
ATOM   1004 O  O   . ALA   A 1 119 ? 43.378 31.968  35.646 1.00 18.29 ? 119 ALA   A O   1 
ATOM   1005 C  CB  . ALA   A 1 119 ? 42.022 30.441  38.076 1.00 15.26 ? 119 ALA   A CB  1 
ATOM   1006 N  N   . GLN   A 1 120 ? 42.609 29.942  34.999 1.00 12.39 ? 120 GLN   A N   1 
ATOM   1007 C  CA  . GLN   A 1 120 ? 43.636 29.755  33.934 1.00 11.87 ? 120 GLN   A CA  1 
ATOM   1008 C  C   . GLN   A 1 120 ? 43.153 30.322  32.590 1.00 12.94 ? 120 GLN   A C   1 
ATOM   1009 O  O   . GLN   A 1 120 ? 43.817 30.090  31.599 1.00 15.21 ? 120 GLN   A O   1 
ATOM   1010 C  CB  . GLN   A 1 120 ? 43.961 28.276  33.776 1.00 11.57 ? 120 GLN   A CB  1 
ATOM   1011 C  CG  . GLN   A 1 120 ? 44.577 27.638  35.011 1.00 17.14 ? 120 GLN   A CG  1 
ATOM   1012 C  CD  . GLN   A 1 120 ? 46.081 27.606  34.931 1.00 27.85 ? 120 GLN   A CD  1 
ATOM   1013 O  OE1 . GLN   A 1 120 ? 46.679 28.075  33.970 1.00 23.77 ? 120 GLN   A OE1 1 
ATOM   1014 N  NE2 . GLN   A 1 120 ? 46.703 27.052  35.953 1.00 28.63 ? 120 GLN   A NE2 1 
ATOM   1015 N  N   . ALA   A 1 121 ? 41.990 30.946  32.576 1.00 10.16 ? 121 ALA   A N   1 
ATOM   1016 C  CA  . ALA   A 1 121 ? 41.406 31.477  31.327 1.00 8.56  ? 121 ALA   A CA  1 
ATOM   1017 C  C   . ALA   A 1 121 ? 41.351 30.359  30.279 1.00 10.15 ? 121 ALA   A C   1 
ATOM   1018 O  O   . ALA   A 1 121 ? 41.837 30.574  29.175 1.00 9.48  ? 121 ALA   A O   1 
ATOM   1019 C  CB  . ALA   A 1 121 ? 42.166 32.693  30.830 1.00 12.83 ? 121 ALA   A CB  1 
ATOM   1020 N  N   . ASP   A 1 122 ? 40.681 29.262  30.636 1.00 8.61  ? 122 ASP   A N   1 
ATOM   1021 C  CA  . ASP   A 1 122 ? 40.478 28.107  29.720 1.00 9.01  ? 122 ASP   A CA  1 
ATOM   1022 C  C   . ASP   A 1 122 ? 38.975 27.961  29.461 1.00 9.38  ? 122 ASP   A C   1 
ATOM   1023 O  O   . ASP   A 1 122 ? 38.340 27.147  30.068 1.00 8.34  ? 122 ASP   A O   1 
ATOM   1024 C  CB  . ASP   A 1 122 ? 41.042 26.845  30.365 1.00 8.10  ? 122 ASP   A CB  1 
ATOM   1025 C  CG  . ASP   A 1 122 ? 41.180 25.674  29.409 1.00 8.03  ? 122 ASP   A CG  1 
ATOM   1026 O  OD1 . ASP   A 1 122 ? 40.488 25.679  28.380 1.00 8.86  ? 122 ASP   A OD1 1 
ATOM   1027 O  OD2 . ASP   A 1 122 ? 41.970 24.779  29.717 1.00 9.73  ? 122 ASP   A OD2 1 
ATOM   1028 N  N   . PRO   A 1 123 ? 38.411 28.757  28.532 1.00 7.51  ? 123 PRO   A N   1 
ATOM   1029 C  CA  . PRO   A 1 123 ? 36.969 28.726  28.328 1.00 7.84  ? 123 PRO   A CA  1 
ATOM   1030 C  C   . PRO   A 1 123 ? 36.439 27.434  27.681 1.00 7.85  ? 123 PRO   A C   1 
ATOM   1031 O  O   . PRO   A 1 123 ? 35.330 27.114  27.885 1.00 9.21  ? 123 PRO   A O   1 
ATOM   1032 C  CB  . PRO   A 1 123 ? 36.716 29.956  27.430 1.00 9.34  ? 123 PRO   A CB  1 
ATOM   1033 C  CG  . PRO   A 1 123 ? 38.013 30.181  26.703 1.00 9.66  ? 123 PRO   A CG  1 
ATOM   1034 C  CD  . PRO   A 1 123 ? 39.076 29.774  27.696 1.00 8.91  ? 123 PRO   A CD  1 
ATOM   1035 N  N   . HIS   A 1 124 ? 37.298 26.763  26.919 1.00 7.00  ? 124 HIS   A N   1 
ATOM   1036 C  CA  . HIS   A 1 124 ? 36.848 25.479  26.338 1.00 6.71  ? 124 HIS   A CA  1 
ATOM   1037 C  C   . HIS   A 1 124 ? 36.553 24.504  27.488 1.00 9.17  ? 124 HIS   A C   1 
ATOM   1038 O  O   . HIS   A 1 124 ? 35.538 23.840  27.452 1.00 8.81  ? 124 HIS   A O   1 
ATOM   1039 C  CB  . HIS   A 1 124 ? 37.873 24.887  25.368 1.00 7.79  ? 124 HIS   A CB  1 
ATOM   1040 C  CG  . HIS   A 1 124 ? 37.366 23.643  24.730 1.00 8.42  ? 124 HIS   A CG  1 
ATOM   1041 N  ND1 . HIS   A 1 124 ? 37.513 22.407  25.316 1.00 9.25  ? 124 HIS   A ND1 1 
ATOM   1042 C  CD2 . HIS   A 1 124 ? 36.680 23.446  23.585 1.00 11.22 ? 124 HIS   A CD2 1 
ATOM   1043 C  CE1 . HIS   A 1 124 ? 36.958 21.497  24.544 1.00 8.04  ? 124 HIS   A CE1 1 
ATOM   1044 N  NE2 . HIS   A 1 124 ? 36.439 22.108  23.479 1.00 8.92  ? 124 HIS   A NE2 1 
ATOM   1045 N  N   . LEU   A 1 125 ? 37.454 24.458  28.452 1.00 8.80  ? 125 LEU   A N   1 
ATOM   1046 C  CA  A LEU   A 1 125 ? 37.255 23.538  29.606 0.44 8.64  ? 125 LEU   A CA  1 
ATOM   1047 C  CA  B LEU   A 1 125 ? 37.246 23.534  29.595 0.56 8.64  ? 125 LEU   A CA  1 
ATOM   1048 C  C   . LEU   A 1 125 ? 35.955 23.888  30.370 1.00 8.18  ? 125 LEU   A C   1 
ATOM   1049 O  O   . LEU   A 1 125 ? 35.044 23.083  30.771 1.00 9.20  ? 125 LEU   A O   1 
ATOM   1050 C  CB  A LEU   A 1 125 ? 38.492 23.648  30.506 0.44 8.39  ? 125 LEU   A CB  1 
ATOM   1051 C  CB  B LEU   A 1 125 ? 38.464 23.592  30.521 0.56 8.42  ? 125 LEU   A CB  1 
ATOM   1052 C  CG  A LEU   A 1 125 ? 38.562 22.773  31.758 0.44 9.79  ? 125 LEU   A CG  1 
ATOM   1053 C  CG  B LEU   A 1 125 ? 38.318 22.781  31.807 0.56 9.81  ? 125 LEU   A CG  1 
ATOM   1054 C  CD1 A LEU   A 1 125 ? 37.770 23.363  32.912 0.44 9.48  ? 125 LEU   A CD1 1 
ATOM   1055 C  CD1 B LEU   A 1 125 ? 38.434 21.293  31.523 0.56 9.55  ? 125 LEU   A CD1 1 
ATOM   1056 C  CD2 A LEU   A 1 125 ? 38.162 21.335  31.476 0.44 10.72 ? 125 LEU   A CD2 1 
ATOM   1057 C  CD2 B LEU   A 1 125 ? 39.334 23.209  32.849 0.56 10.85 ? 125 LEU   A CD2 1 
ATOM   1058 N  N   . CYS   A 1 126 ? 35.856 25.184  30.614 1.00 8.29  ? 126 CYS   A N   1 
ATOM   1059 C  CA  . CYS   A 1 126 ? 34.671 25.655  31.376 1.00 9.04  ? 126 CYS   A CA  1 
ATOM   1060 C  C   . CYS   A 1 126 ? 33.367 25.334  30.642 1.00 9.96  ? 126 CYS   A C   1 
ATOM   1061 O  O   . CYS   A 1 126 ? 32.436 24.859  31.278 1.00 12.21 ? 126 CYS   A O   1 
ATOM   1062 C  CB  . CYS   A 1 126 ? 34.781 27.156  31.602 1.00 9.14  ? 126 CYS   A CB  1 
ATOM   1063 S  SG  . CYS   A 1 126 ? 36.079 27.581  32.802 1.00 12.29 ? 126 CYS   A SG  1 
ATOM   1064 N  N   . ASP   A 1 127 ? 33.328 25.577  29.339 1.00 9.01  ? 127 ASP   A N   1 
ATOM   1065 C  CA  . ASP   A 1 127 ? 32.116 25.263  28.533 1.00 10.85 ? 127 ASP   A CA  1 
ATOM   1066 C  C   . ASP   A 1 127 ? 31.854 23.752  28.509 1.00 11.69 ? 127 ASP   A C   1 
ATOM   1067 O  O   . ASP   A 1 127 ? 30.719 23.345  28.561 1.00 12.73 ? 127 ASP   A O   1 
ATOM   1068 C  CB  . ASP   A 1 127 ? 32.272 25.824  27.118 1.00 15.39 ? 127 ASP   A CB  1 
ATOM   1069 C  CG  . ASP   A 1 127 ? 31.271 25.280  26.103 1.00 18.74 ? 127 ASP   A CG  1 
ATOM   1070 O  OD1 . ASP   A 1 127 ? 30.180 25.836  26.017 1.00 21.59 ? 127 ASP   A OD1 1 
ATOM   1071 O  OD2 . ASP   A 1 127 ? 31.607 24.316  25.395 1.00 25.85 ? 127 ASP   A OD2 1 
ATOM   1072 N  N   . PHE   A 1 128 ? 32.918 22.984  28.373 1.00 10.33 ? 128 PHE   A N   1 
ATOM   1073 C  CA  . PHE   A 1 128 ? 32.773 21.511  28.350 1.00 9.49  ? 128 PHE   A CA  1 
ATOM   1074 C  C   . PHE   A 1 128 ? 32.034 21.043  29.614 1.00 9.07  ? 128 PHE   A C   1 
ATOM   1075 O  O   . PHE   A 1 128 ? 31.148 20.212  29.531 1.00 8.22  ? 128 PHE   A O   1 
ATOM   1076 C  CB  . PHE   A 1 128 ? 34.168 20.877  28.233 1.00 7.81  ? 128 PHE   A CB  1 
ATOM   1077 C  CG  . PHE   A 1 128 ? 34.224 19.391  28.468 1.00 9.40  ? 128 PHE   A CG  1 
ATOM   1078 C  CD1 . PHE   A 1 128 ? 33.980 18.499  27.438 1.00 9.11  ? 128 PHE   A CD1 1 
ATOM   1079 C  CD2 . PHE   A 1 128 ? 34.513 18.885  29.722 1.00 12.66 ? 128 PHE   A CD2 1 
ATOM   1080 C  CE1 . PHE   A 1 128 ? 34.029 17.133  27.657 1.00 8.96  ? 128 PHE   A CE1 1 
ATOM   1081 C  CE2 . PHE   A 1 128 ? 34.572 17.519  29.936 1.00 13.11 ? 128 PHE   A CE2 1 
ATOM   1082 C  CZ  . PHE   A 1 128 ? 34.331 16.645  28.904 1.00 9.47  ? 128 PHE   A CZ  1 
ATOM   1083 N  N   . LEU   A 1 129 ? 32.471 21.548  30.755 1.00 8.16  ? 129 LEU   A N   1 
ATOM   1084 C  CA  . LEU   A 1 129 ? 31.883 21.095  32.031 1.00 6.98  ? 129 LEU   A CA  1 
ATOM   1085 C  C   . LEU   A 1 129 ? 30.440 21.590  32.134 1.00 12.04 ? 129 LEU   A C   1 
ATOM   1086 O  O   . LEU   A 1 129 ? 29.585 20.867  32.580 1.00 10.54 ? 129 LEU   A O   1 
ATOM   1087 C  CB  . LEU   A 1 129 ? 32.749 21.644  33.171 1.00 8.42  ? 129 LEU   A CB  1 
ATOM   1088 C  CG  . LEU   A 1 129 ? 34.139 21.032  33.314 1.00 10.74 ? 129 LEU   A CG  1 
ATOM   1089 C  CD1 . LEU   A 1 129 ? 34.907 21.734  34.427 1.00 12.95 ? 129 LEU   A CD1 1 
ATOM   1090 C  CD2 . LEU   A 1 129 ? 34.053 19.537  33.588 1.00 13.11 ? 129 LEU   A CD2 1 
ATOM   1091 N  N   . GLU   A 1 130 ? 30.240 22.835  31.754 1.00 11.93 ? 130 GLU   A N   1 
ATOM   1092 C  CA  . GLU   A 1 130 ? 28.880 23.405  31.847 1.00 16.38 ? 130 GLU   A CA  1 
ATOM   1093 C  C   . GLU   A 1 130 ? 27.952 22.631  30.921 1.00 15.38 ? 130 GLU   A C   1 
ATOM   1094 O  O   . GLU   A 1 130 ? 26.838 22.322  31.347 1.00 18.84 ? 130 GLU   A O   1 
ATOM   1095 C  CB  . GLU   A 1 130 ? 28.931 24.860  31.389 1.00 14.50 ? 130 GLU   A CB  1 
ATOM   1096 C  CG  . GLU   A 1 130 ? 29.616 25.796  32.362 1.00 15.97 ? 130 GLU   A CG  1 
ATOM   1097 C  CD  . GLU   A 1 130 ? 30.052 27.123  31.760 1.00 24.84 ? 130 GLU   A CD  1 
ATOM   1098 O  OE1 . GLU   A 1 130 ? 29.661 27.417  30.614 1.00 24.55 ? 130 GLU   A OE1 1 
ATOM   1099 O  OE2 . GLU   A 1 130 ? 30.787 27.847  32.427 1.00 12.79 ? 130 GLU   A OE2 1 
ATOM   1100 N  N   . SER   A 1 131 ? 28.401 22.349  29.701 1.00 12.60 ? 131 SER   A N   1 
ATOM   1101 C  CA  . SER   A 1 131 ? 27.551 21.695  28.676 1.00 12.95 ? 131 SER   A CA  1 
ATOM   1102 C  C   . SER   A 1 131 ? 27.272 20.213  28.951 1.00 14.24 ? 131 SER   A C   1 
ATOM   1103 O  O   . SER   A 1 131 ? 26.213 19.756  28.572 1.00 16.30 ? 131 SER   A O   1 
ATOM   1104 C  CB  . SER   A 1 131 ? 28.189 21.876  27.317 1.00 20.36 ? 131 SER   A CB  1 
ATOM   1105 O  OG  . SER   A 1 131 ? 28.257 23.255  27.000 1.00 26.72 ? 131 SER   A OG  1 
ATOM   1106 N  N   . HIS   A 1 132 ? 28.217 19.475  29.516 1.00 12.56 ? 132 HIS   A N   1 
ATOM   1107 C  CA  . HIS   A 1 132 ? 28.012 18.014  29.634 1.00 14.42 ? 132 HIS   A CA  1 
ATOM   1108 C  C   . HIS   A 1 132 ? 27.979 17.482  31.078 1.00 12.77 ? 132 HIS   A C   1 
ATOM   1109 O  O   . HIS   A 1 132 ? 27.711 16.299  31.241 1.00 14.08 ? 132 HIS   A O   1 
ATOM   1110 C  CB  . HIS   A 1 132 ? 29.136 17.328  28.855 1.00 14.90 ? 132 HIS   A CB  1 
ATOM   1111 C  CG  . HIS   A 1 132 ? 29.124 17.668  27.408 1.00 18.90 ? 132 HIS   A CG  1 
ATOM   1112 N  ND1 . HIS   A 1 132 ? 28.046 17.384  26.607 1.00 24.84 ? 132 HIS   A ND1 1 
ATOM   1113 C  CD2 . HIS   A 1 132 ? 30.042 18.259  26.622 1.00 21.59 ? 132 HIS   A CD2 1 
ATOM   1114 C  CE1 . HIS   A 1 132 ? 28.296 17.790  25.380 1.00 28.30 ? 132 HIS   A CE1 1 
ATOM   1115 N  NE2 . HIS   A 1 132 ? 29.515 18.327  25.363 1.00 28.29 ? 132 HIS   A NE2 1 
ATOM   1116 N  N   . PHE   A 1 133 ? 28.316 18.304  32.067 1.00 9.29  ? 133 PHE   A N   1 
ATOM   1117 C  CA  . PHE   A 1 133 ? 28.421 17.769  33.452 1.00 8.57  ? 133 PHE   A CA  1 
ATOM   1118 C  C   . PHE   A 1 133 ? 27.618 18.536  34.514 1.00 9.84  ? 133 PHE   A C   1 
ATOM   1119 O  O   . PHE   A 1 133 ? 26.964 17.899  35.294 1.00 10.33 ? 133 PHE   A O   1 
ATOM   1120 C  CB  . PHE   A 1 133 ? 29.896 17.746  33.880 1.00 9.97  ? 133 PHE   A CB  1 
ATOM   1121 C  CG  . PHE   A 1 133 ? 30.682 16.665  33.181 1.00 7.57  ? 133 PHE   A CG  1 
ATOM   1122 C  CD1 . PHE   A 1 133 ? 31.189 16.862  31.909 1.00 11.76 ? 133 PHE   A CD1 1 
ATOM   1123 C  CD2 . PHE   A 1 133 ? 30.860 15.430  33.777 1.00 10.11 ? 133 PHE   A CD2 1 
ATOM   1124 C  CE1 . PHE   A 1 133 ? 31.870 15.849  31.256 1.00 10.44 ? 133 PHE   A CE1 1 
ATOM   1125 C  CE2 . PHE   A 1 133 ? 31.557 14.426  33.131 1.00 12.29 ? 133 PHE   A CE2 1 
ATOM   1126 C  CZ  . PHE   A 1 133 ? 32.054 14.634  31.870 1.00 10.61 ? 133 PHE   A CZ  1 
ATOM   1127 N  N   . LEU   A 1 134 ? 27.733 19.849  34.536 1.00 10.12 ? 134 LEU   A N   1 
ATOM   1128 C  CA  . LEU   A 1 134 ? 27.130 20.593  35.686 1.00 7.88  ? 134 LEU   A CA  1 
ATOM   1129 C  C   . LEU   A 1 134 ? 25.602 20.405  35.786 1.00 9.66  ? 134 LEU   A C   1 
ATOM   1130 O  O   . LEU   A 1 134 ? 25.121 20.221  36.889 1.00 7.96  ? 134 LEU   A O   1 
ATOM   1131 C  CB  . LEU   A 1 134 ? 27.524 22.078  35.602 1.00 9.47  ? 134 LEU   A CB  1 
ATOM   1132 C  CG  . LEU   A 1 134 ? 29.014 22.409  35.639 1.00 11.93 ? 134 LEU   A CG  1 
ATOM   1133 C  CD1 . LEU   A 1 134 ? 29.205 23.916  35.689 1.00 12.57 ? 134 LEU   A CD1 1 
ATOM   1134 C  CD2 . LEU   A 1 134 ? 29.683 21.766  36.836 1.00 10.33 ? 134 LEU   A CD2 1 
ATOM   1135 N  N   . ASP   A 1 135 ? 24.904 20.592  34.676 1.00 11.20 ? 135 ASP   A N   1 
ATOM   1136 C  CA  . ASP   A 1 135 ? 23.426 20.484  34.767 1.00 10.26 ? 135 ASP   A CA  1 
ATOM   1137 C  C   . ASP   A 1 135 ? 23.003 19.015  34.907 1.00 10.21 ? 135 ASP   A C   1 
ATOM   1138 O  O   . ASP   A 1 135 ? 22.046 18.737  35.592 1.00 10.30 ? 135 ASP   A O   1 
ATOM   1139 C  CB  . ASP   A 1 135 ? 22.733 21.159  33.578 1.00 12.12 ? 135 ASP   A CB  1 
ATOM   1140 C  CG  . ASP   A 1 135 ? 21.223 21.143  33.726 1.00 15.69 ? 135 ASP   A CG  1 
ATOM   1141 O  OD1 . ASP   A 1 135 ? 20.743 21.594  34.770 1.00 14.11 ? 135 ASP   A OD1 1 
ATOM   1142 O  OD2 . ASP   A 1 135 ? 20.558 20.646  32.814 1.00 21.41 ? 135 ASP   A OD2 1 
ATOM   1143 N  N   . GLU   A 1 136 ? 23.754 18.125  34.277 1.00 10.22 ? 136 GLU   A N   1 
ATOM   1144 C  CA  . GLU   A 1 136 ? 23.435 16.694  34.467 1.00 10.59 ? 136 GLU   A CA  1 
ATOM   1145 C  C   . GLU   A 1 136 ? 23.527 16.341  35.959 1.00 10.27 ? 136 GLU   A C   1 
ATOM   1146 O  O   . GLU   A 1 136 ? 22.699 15.617  36.451 1.00 11.22 ? 136 GLU   A O   1 
ATOM   1147 C  CB  . GLU   A 1 136 ? 24.371 15.821  33.624 1.00 14.44 ? 136 GLU   A CB  1 
ATOM   1148 C  CG  . GLU   A 1 136 ? 24.219 16.038  32.131 1.00 18.59 ? 136 GLU   A CG  1 
ATOM   1149 C  CD  . GLU   A 1 136 ? 22.824 15.768  31.603 1.00 30.40 ? 136 GLU   A CD  1 
ATOM   1150 O  OE1 . GLU   A 1 136 ? 22.353 14.628  31.744 1.00 35.27 ? 136 GLU   A OE1 1 
ATOM   1151 O  OE2 . GLU   A 1 136 ? 22.214 16.697  31.057 1.00 37.21 ? 136 GLU   A OE2 1 
ATOM   1152 N  N   . GLU   A 1 137 ? 24.550 16.864  36.620 1.00 9.09  ? 137 GLU   A N   1 
ATOM   1153 C  CA  . GLU   A 1 137 ? 24.747 16.546  38.044 1.00 8.39  ? 137 GLU   A CA  1 
ATOM   1154 C  C   . GLU   A 1 137 ? 23.632 17.179  38.884 1.00 8.85  ? 137 GLU   A C   1 
ATOM   1155 O  O   . GLU   A 1 137 ? 23.115 16.559  39.770 1.00 8.97  ? 137 GLU   A O   1 
ATOM   1156 C  CB  . GLU   A 1 137 ? 26.149 17.034  38.445 1.00 12.24 ? 137 GLU   A CB  1 
ATOM   1157 C  CG  . GLU   A 1 137 ? 26.652 16.518  39.758 1.00 13.96 ? 137 GLU   A CG  1 
ATOM   1158 C  CD  . GLU   A 1 137 ? 26.664 15.007  39.829 1.00 8.67  ? 137 GLU   A CD  1 
ATOM   1159 O  OE1 . GLU   A 1 137 ? 26.954 14.357  38.813 1.00 13.62 ? 137 GLU   A OE1 1 
ATOM   1160 O  OE2 . GLU   A 1 137 ? 26.351 14.516  40.889 1.00 15.59 ? 137 GLU   A OE2 1 
ATOM   1161 N  N   . VAL   A 1 138 ? 23.323 18.434  38.560 1.00 7.31  ? 138 VAL   A N   1 
ATOM   1162 C  CA  . VAL   A 1 138 ? 22.221 19.094  39.319 1.00 9.07  ? 138 VAL   A CA  1 
ATOM   1163 C  C   . VAL   A 1 138 ? 20.901 18.311  39.160 1.00 7.79  ? 138 VAL   A C   1 
ATOM   1164 O  O   . VAL   A 1 138 ? 20.212 18.133  40.140 1.00 8.30  ? 138 VAL   A O   1 
ATOM   1165 C  CB  . VAL   A 1 138 ? 22.086 20.574  38.908 1.00 6.43  ? 138 VAL   A CB  1 
ATOM   1166 C  CG1 . VAL   A 1 138 ? 20.698 21.126  39.217 1.00 9.15  ? 138 VAL   A CG1 1 
ATOM   1167 C  CG2 . VAL   A 1 138 ? 23.134 21.430  39.604 1.00 8.67  ? 138 VAL   A CG2 1 
ATOM   1168 N  N   . LYS   A 1 139 ? 20.611 17.886  37.943 1.00 6.46  ? 139 LYS   A N   1 
ATOM   1169 C  CA  . LYS   A 1 139 ? 19.362 17.132  37.691 1.00 7.82  ? 139 LYS   A CA  1 
ATOM   1170 C  C   . LYS   A 1 139 ? 19.378 15.824  38.503 1.00 9.32  ? 139 LYS   A C   1 
ATOM   1171 O  O   . LYS   A 1 139 ? 18.359 15.456  39.044 1.00 9.97  ? 139 LYS   A O   1 
ATOM   1172 C  CB  . LYS   A 1 139 ? 19.223 16.893  36.182 1.00 9.68  ? 139 LYS   A CB  1 
ATOM   1173 C  CG  . LYS   A 1 139 ? 18.776 18.095  35.367 1.00 14.28 ? 139 LYS   A CG  1 
ATOM   1174 C  CD  . LYS   A 1 139 ? 18.574 17.774  33.907 1.00 20.38 ? 139 LYS   A CD  1 
ATOM   1175 C  CE  . LYS   A 1 139 ? 19.802 17.222  33.218 1.00 27.80 ? 139 LYS   A CE  1 
ATOM   1176 N  NZ  . LYS   A 1 139 ? 19.488 16.705  31.863 1.00 33.33 ? 139 LYS   A NZ  1 
ATOM   1177 N  N   . LEU   A 1 140 ? 20.519 15.144  38.522 1.00 9.24  ? 140 LEU   A N   1 
ATOM   1178 C  CA  . LEU   A 1 140 ? 20.572 13.830  39.217 1.00 9.94  ? 140 LEU   A CA  1 
ATOM   1179 C  C   . LEU   A 1 140 ? 20.439 13.991  40.732 1.00 10.86 ? 140 LEU   A C   1 
ATOM   1180 O  O   . LEU   A 1 140 ? 19.761 13.212  41.346 1.00 9.71  ? 140 LEU   A O   1 
ATOM   1181 C  CB  . LEU   A 1 140 ? 21.904 13.180  38.833 1.00 8.74  ? 140 LEU   A CB  1 
ATOM   1182 C  CG  . LEU   A 1 140 ? 22.191 11.839  39.510 1.00 7.91  ? 140 LEU   A CG  1 
ATOM   1183 C  CD1 . LEU   A 1 140 ? 21.103 10.825  39.189 1.00 11.21 ? 140 LEU   A CD1 1 
ATOM   1184 C  CD2 . LEU   A 1 140 ? 23.555 11.313  39.099 1.00 11.38 ? 140 LEU   A CD2 1 
ATOM   1185 N  N   . ILE   A 1 141 ? 21.109 14.995  41.276 1.00 7.95  ? 141 ILE   A N   1 
ATOM   1186 C  CA  . ILE   A 1 141 ? 21.020 15.252  42.732 1.00 8.01  ? 141 ILE   A CA  1 
ATOM   1187 C  C   . ILE   A 1 141 ? 19.571 15.634  43.096 1.00 9.22  ? 141 ILE   A C   1 
ATOM   1188 O  O   . ILE   A 1 141 ? 19.106 15.208  44.124 1.00 8.58  ? 141 ILE   A O   1 
ATOM   1189 C  CB  . ILE   A 1 141 ? 22.075 16.292  43.149 1.00 8.62  ? 141 ILE   A CB  1 
ATOM   1190 C  CG1 . ILE   A 1 141 ? 23.482 15.719  42.947 1.00 9.33  ? 141 ILE   A CG1 1 
ATOM   1191 C  CG2 . ILE   A 1 141 ? 21.853 16.752  44.579 1.00 12.85 ? 141 ILE   A CG2 1 
ATOM   1192 C  CD1 . ILE   A 1 141 ? 24.617 16.693  43.164 1.00 8.93  ? 141 ILE   A CD1 1 
ATOM   1193 N  N   . LYS   A 1 142 ? 18.919 16.395  42.223 1.00 7.79  ? 142 LYS   A N   1 
ATOM   1194 C  CA  . LYS   A 1 142 ? 17.501 16.733  42.524 1.00 8.07  ? 142 LYS   A CA  1 
ATOM   1195 C  C   . LYS   A 1 142 ? 16.637 15.467  42.519 1.00 8.45  ? 142 LYS   A C   1 
ATOM   1196 O  O   . LYS   A 1 142 ? 15.801 15.323  43.379 1.00 8.52  ? 142 LYS   A O   1 
ATOM   1197 C  CB  . LYS   A 1 142 ? 16.997 17.778  41.525 1.00 6.92  ? 142 LYS   A CB  1 
ATOM   1198 C  CG  . LYS   A 1 142 ? 15.497 18.058  41.572 1.00 7.26  ? 142 LYS   A CG  1 
ATOM   1199 C  CD  . LYS   A 1 142 ? 15.022 18.623  42.893 1.00 7.50  ? 142 LYS   A CD  1 
ATOM   1200 C  CE  . LYS   A 1 142 ? 13.678 19.315  42.787 1.00 6.77  ? 142 LYS   A CE  1 
ATOM   1201 N  NZ  . LYS   A 1 142 ? 12.570 18.351  42.570 1.00 7.45  ? 142 LYS   A NZ  1 
ATOM   1202 N  N   . LYS   A 1 143 ? 16.886 14.620  41.554 1.00 8.74  ? 143 LYS   A N   1 
ATOM   1203 C  CA  A LYS   A 1 143 ? 16.132 13.337  41.499 0.44 9.43  ? 143 LYS   A CA  1 
ATOM   1204 C  CA  B LYS   A 1 143 ? 16.136 13.335  41.496 0.56 9.42  ? 143 LYS   A CA  1 
ATOM   1205 C  C   . LYS   A 1 143 ? 16.347 12.493  42.778 1.00 9.49  ? 143 LYS   A C   1 
ATOM   1206 O  O   . LYS   A 1 143 ? 15.463 11.844  43.454 1.00 9.46  ? 143 LYS   A O   1 
ATOM   1207 C  CB  A LYS   A 1 143 ? 16.545 12.553  40.248 0.44 9.94  ? 143 LYS   A CB  1 
ATOM   1208 C  CB  B LYS   A 1 143 ? 16.569 12.563  40.243 0.56 9.91  ? 143 LYS   A CB  1 
ATOM   1209 C  CG  A LYS   A 1 143 ? 15.898 11.182  40.117 0.44 11.86 ? 143 LYS   A CG  1 
ATOM   1210 C  CG  B LYS   A 1 143 ? 16.000 11.158  40.115 0.56 11.88 ? 143 LYS   A CG  1 
ATOM   1211 C  CD  A LYS   A 1 143 ? 16.302 10.457  38.858 0.44 10.83 ? 143 LYS   A CD  1 
ATOM   1212 C  CD  B LYS   A 1 143 ? 14.495 11.146  40.125 0.56 17.36 ? 143 LYS   A CD  1 
ATOM   1213 C  CE  A LYS   A 1 143 ? 15.699 11.067  37.612 0.44 16.66 ? 143 LYS   A CE  1 
ATOM   1214 C  CE  B LYS   A 1 143 ? 13.897 11.780  38.890 0.56 21.45 ? 143 LYS   A CE  1 
ATOM   1215 N  NZ  A LYS   A 1 143 ? 16.104 10.329  36.393 0.44 22.74 ? 143 LYS   A NZ  1 
ATOM   1216 N  NZ  B LYS   A 1 143 ? 12.417 11.774  38.946 0.56 22.64 ? 143 LYS   A NZ  1 
ATOM   1217 N  N   . MET   A 1 144 ? 17.621 12.480  43.161 1.00 9.56  ? 144 MET   A N   1 
ATOM   1218 C  CA  . MET   A 1 144 ? 17.962 11.658  44.353 1.00 8.89  ? 144 MET   A CA  1 
ATOM   1219 C  C   . MET   A 1 144 ? 17.354 12.260  45.619 1.00 9.05  ? 144 MET   A C   1 
ATOM   1220 O  O   . MET   A 1 144 ? 16.977 11.506  46.494 1.00 10.73 ? 144 MET   A O   1 
ATOM   1221 C  CB  . MET   A 1 144 ? 19.480 11.508  44.532 1.00 9.48  ? 144 MET   A CB  1 
ATOM   1222 C  CG  . MET   A 1 144 ? 20.119 10.567  43.549 1.00 8.29  ? 144 MET   A CG  1 
ATOM   1223 S  SD  . MET   A 1 144 ? 21.910 10.543  43.827 1.00 10.25 ? 144 MET   A SD  1 
ATOM   1224 C  CE  . MET   A 1 144 ? 22.379 9.276   42.649 1.00 11.19 ? 144 MET   A CE  1 
ATOM   1225 N  N   . GLY   A 1 145 ? 17.348 13.584  45.715 1.00 8.50  ? 145 GLY   A N   1 
ATOM   1226 C  CA  . GLY   A 1 145 ? 16.666 14.188  46.872 1.00 7.41  ? 145 GLY   A CA  1 
ATOM   1227 C  C   . GLY   A 1 145 ? 15.160 13.894  46.881 1.00 7.60  ? 145 GLY   A C   1 
ATOM   1228 O  O   . GLY   A 1 145 ? 14.628 13.697  47.939 1.00 7.91  ? 145 GLY   A O   1 
ATOM   1229 N  N   . ASP   A 1 146 ? 14.557 13.942  45.705 1.00 7.67  ? 146 ASP   A N   1 
ATOM   1230 C  CA  . ASP   A 1 146 ? 13.118 13.620  45.595 1.00 8.19  ? 146 ASP   A CA  1 
ATOM   1231 C  C   . ASP   A 1 146 ? 12.918 12.184  46.087 1.00 7.74  ? 146 ASP   A C   1 
ATOM   1232 O  O   . ASP   A 1 146 ? 12.002 11.929  46.842 1.00 7.53  ? 146 ASP   A O   1 
ATOM   1233 C  CB  . ASP   A 1 146 ? 12.683 13.769  44.140 1.00 6.66  ? 146 ASP   A CB  1 
ATOM   1234 C  CG  . ASP   A 1 146 ? 12.632 15.188  43.582 1.00 9.16  ? 146 ASP   A CG  1 
ATOM   1235 O  OD1 . ASP   A 1 146 ? 12.766 16.142  44.351 1.00 7.94  ? 146 ASP   A OD1 1 
ATOM   1236 O  OD2 . ASP   A 1 146 ? 12.448 15.312  42.366 1.00 11.88 ? 146 ASP   A OD2 1 
ATOM   1237 N  N   . HIS   A 1 147 ? 13.784 11.291  45.629 1.00 9.75  ? 147 HIS   A N   1 
ATOM   1238 C  CA  . HIS   A 1 147 ? 13.689 9.875   46.081 1.00 7.73  ? 147 HIS   A CA  1 
ATOM   1239 C  C   . HIS   A 1 147 ? 13.850 9.775   47.607 1.00 10.44 ? 147 HIS   A C   1 
ATOM   1240 O  O   . HIS   A 1 147 ? 13.066 9.074   48.221 1.00 9.09  ? 147 HIS   A O   1 
ATOM   1241 C  CB  . HIS   A 1 147 ? 14.706 8.967   45.344 1.00 8.23  ? 147 HIS   A CB  1 
ATOM   1242 C  CG  . HIS   A 1 147 ? 14.422 8.705   43.904 1.00 8.93  ? 147 HIS   A CG  1 
ATOM   1243 N  ND1 . HIS   A 1 147 ? 13.193 8.930   43.332 1.00 9.79  ? 147 HIS   A ND1 1 
ATOM   1244 C  CD2 . HIS   A 1 147 ? 15.214 8.217   42.927 1.00 8.34  ? 147 HIS   A CD2 1 
ATOM   1245 C  CE1 . HIS   A 1 147 ? 13.241 8.595   42.063 1.00 10.38 ? 147 HIS   A CE1 1 
ATOM   1246 N  NE2 . HIS   A 1 147 ? 14.471 8.150   41.788 1.00 10.97 ? 147 HIS   A NE2 1 
ATOM   1247 N  N   . LEU   A 1 148 ? 14.893 10.415  48.123 1.00 8.63  ? 148 LEU   A N   1 
ATOM   1248 C  CA  A LEU   A 1 148 ? 15.110 10.374  49.600 0.59 7.44  ? 148 LEU   A CA  1 
ATOM   1249 C  CA  B LEU   A 1 148 ? 15.106 10.370  49.594 0.41 7.47  ? 148 LEU   A CA  1 
ATOM   1250 C  C   . LEU   A 1 148 ? 13.839 10.767  50.401 1.00 9.08  ? 148 LEU   A C   1 
ATOM   1251 O  O   . LEU   A 1 148 ? 13.368 10.160  51.398 1.00 10.14 ? 148 LEU   A O   1 
ATOM   1252 C  CB  A LEU   A 1 148 ? 16.302 11.269  49.974 0.59 12.43 ? 148 LEU   A CB  1 
ATOM   1253 C  CB  B LEU   A 1 148 ? 16.295 11.276  49.941 0.41 12.44 ? 148 LEU   A CB  1 
ATOM   1254 C  CG  A LEU   A 1 148 ? 17.684 10.637  49.827 0.59 12.29 ? 148 LEU   A CG  1 
ATOM   1255 C  CG  B LEU   A 1 148 ? 17.173 10.809  51.095 0.41 17.87 ? 148 LEU   A CG  1 
ATOM   1256 C  CD1 A LEU   A 1 148 ? 18.775 11.659  50.111 0.59 15.22 ? 148 LEU   A CD1 1 
ATOM   1257 C  CD1 B LEU   A 1 148 ? 17.862 9.502   50.738 0.41 16.97 ? 148 LEU   A CD1 1 
ATOM   1258 C  CD2 A LEU   A 1 148 ? 17.831 9.438   50.748 0.59 17.08 ? 148 LEU   A CD2 1 
ATOM   1259 C  CD2 B LEU   A 1 148 ? 18.206 11.872  51.429 0.41 15.74 ? 148 LEU   A CD2 1 
ATOM   1260 N  N   . THR   A 1 149 ? 13.245 11.842  49.895 1.00 7.80  ? 149 THR   A N   1 
ATOM   1261 C  CA  . THR   A 1 149 ? 12.055 12.365  50.608 1.00 9.33  ? 149 THR   A CA  1 
ATOM   1262 C  C   . THR   A 1 149 ? 10.923 11.328  50.565 1.00 8.84  ? 149 THR   A C   1 
ATOM   1263 O  O   . THR   A 1 149 ? 10.239 11.151  51.560 1.00 10.15 ? 149 THR   A O   1 
ATOM   1264 C  CB  . THR   A 1 149 ? 11.625 13.714  50.009 1.00 7.70  ? 149 THR   A CB  1 
ATOM   1265 O  OG1 . THR   A 1 149 ? 12.631 14.684  50.291 1.00 7.76  ? 149 THR   A OG1 1 
ATOM   1266 C  CG2 . THR   A 1 149 ? 10.281 14.194  50.516 1.00 9.38  ? 149 THR   A CG2 1 
ATOM   1267 N  N   . ASN   A 1 150 ? 10.721 10.724  49.412 1.00 9.40  ? 150 ASN   A N   1 
ATOM   1268 C  CA  . ASN   A 1 150 ? 9.650  9.709   49.278 1.00 8.76  ? 150 ASN   A CA  1 
ATOM   1269 C  C   . ASN   A 1 150 ? 9.980  8.464   50.123 1.00 9.13  ? 150 ASN   A C   1 
ATOM   1270 O  O   . ASN   A 1 150 ? 9.094  7.923   50.747 1.00 9.15  ? 150 ASN   A O   1 
ATOM   1271 C  CB  . ASN   A 1 150 ? 9.401  9.387   47.802 1.00 7.05  ? 150 ASN   A CB  1 
ATOM   1272 C  CG  . ASN   A 1 150 ? 8.499  10.426  47.170 1.00 7.96  ? 150 ASN   A CG  1 
ATOM   1273 O  OD1 . ASN   A 1 150 ? 7.293  10.398  47.365 1.00 8.52  ? 150 ASN   A OD1 1 
ATOM   1274 N  ND2 . ASN   A 1 150 ? 9.083  11.366  46.452 1.00 9.36  ? 150 ASN   A ND2 1 
ATOM   1275 N  N   . ILE   A 1 151 ? 11.237 8.045   50.088 1.00 8.59  ? 151 ILE   A N   1 
ATOM   1276 C  CA  . ILE   A 1 151 ? 11.633 6.872   50.914 1.00 8.84  ? 151 ILE   A CA  1 
ATOM   1277 C  C   . ILE   A 1 151 ? 11.388 7.198   52.387 1.00 11.05 ? 151 ILE   A C   1 
ATOM   1278 O  O   . ILE   A 1 151 ? 10.850 6.369   53.086 1.00 10.49 ? 151 ILE   A O   1 
ATOM   1279 C  CB  . ILE   A 1 151 ? 13.109 6.523   50.618 1.00 8.15  ? 151 ILE   A CB  1 
ATOM   1280 C  CG1 . ILE   A 1 151 ? 13.317 6.004   49.195 1.00 9.87  ? 151 ILE   A CG1 1 
ATOM   1281 C  CG2 . ILE   A 1 151 ? 13.631 5.545   51.658 1.00 10.92 ? 151 ILE   A CG2 1 
ATOM   1282 C  CD1 . ILE   A 1 151 ? 14.751 6.098   48.714 1.00 13.18 ? 151 ILE   A CD1 1 
ATOM   1283 N  N   . GLN   A 1 152 ? 11.771 8.401   52.800 1.00 9.74  ? 152 GLN   A N   1 
ATOM   1284 C  CA  . GLN   A 1 152 ? 11.645 8.805   54.229 1.00 10.13 ? 152 GLN   A CA  1 
ATOM   1285 C  C   . GLN   A 1 152 ? 10.169 8.867   54.654 1.00 14.64 ? 152 GLN   A C   1 
ATOM   1286 O  O   . GLN   A 1 152 ? 9.836  8.427   55.751 1.00 15.88 ? 152 GLN   A O   1 
ATOM   1287 C  CB  . GLN   A 1 152 ? 12.380 10.129  54.459 1.00 12.77 ? 152 GLN   A CB  1 
ATOM   1288 C  CG  . GLN   A 1 152 ? 13.898 10.025  54.374 1.00 18.99 ? 152 GLN   A CG  1 
ATOM   1289 C  CD  . GLN   A 1 152 ? 14.623 11.342  54.214 1.00 29.07 ? 152 GLN   A CD  1 
ATOM   1290 O  OE1 . GLN   A 1 152 ? 15.756 11.499  54.654 1.00 30.05 ? 152 GLN   A OE1 1 
ATOM   1291 N  NE2 . GLN   A 1 152 ? 13.981 12.300  53.567 1.00 26.04 ? 152 GLN   A NE2 1 
ATOM   1292 N  N   . ARG   A 1 153 ? 9.325  9.358   53.768 1.00 12.05 ? 153 ARG   A N   1 
ATOM   1293 C  CA  A ARG   A 1 153 ? 7.867  9.428   54.068 0.60 12.14 ? 153 ARG   A CA  1 
ATOM   1294 C  CA  B ARG   A 1 153 ? 7.872  9.430   54.090 0.40 12.20 ? 153 ARG   A CA  1 
ATOM   1295 C  C   . ARG   A 1 153 ? 7.226  8.028   54.243 1.00 14.16 ? 153 ARG   A C   1 
ATOM   1296 O  O   . ARG   A 1 153 ? 6.267  7.713   55.064 1.00 17.08 ? 153 ARG   A O   1 
ATOM   1297 C  CB  A ARG   A 1 153 ? 7.139  10.188  52.953 0.60 15.73 ? 153 ARG   A CB  1 
ATOM   1298 C  CB  B ARG   A 1 153 ? 7.136  10.308  53.068 0.40 15.65 ? 153 ARG   A CB  1 
ATOM   1299 C  CG  A ARG   A 1 153 ? 5.845  10.860  53.387 0.60 17.83 ? 153 ARG   A CG  1 
ATOM   1300 C  CG  B ARG   A 1 153 ? 6.767  9.653   51.748 0.40 12.74 ? 153 ARG   A CG  1 
ATOM   1301 C  CD  A ARG   A 1 153 ? 5.324  11.913  52.423 0.60 18.95 ? 153 ARG   A CD  1 
ATOM   1302 C  CD  B ARG   A 1 153 ? 5.766  10.514  50.990 0.40 11.78 ? 153 ARG   A CD  1 
ATOM   1303 N  NE  A ARG   A 1 153 ? 5.956  11.840  51.120 0.60 18.21 ? 153 ARG   A NE  1 
ATOM   1304 N  NE  B ARG   A 1 153 ? 5.793  11.936  51.315 0.40 16.18 ? 153 ARG   A NE  1 
ATOM   1305 C  CZ  A ARG   A 1 153 ? 6.407  12.880  50.430 0.60 14.70 ? 153 ARG   A CZ  1 
ATOM   1306 C  CZ  B ARG   A 1 153 ? 6.327  12.882  50.546 0.40 14.38 ? 153 ARG   A CZ  1 
ATOM   1307 N  NH1 A ARG   A 1 153 ? 6.292  14.104  50.917 0.60 17.26 ? 153 ARG   A NH1 1 
ATOM   1308 N  NH1 B ARG   A 1 153 ? 6.903  12.566  49.398 0.40 11.55 ? 153 ARG   A NH1 1 
ATOM   1309 N  NH2 A ARG   A 1 153 ? 6.977  12.687  49.254 0.60 9.82  ? 153 ARG   A NH2 1 
ATOM   1310 N  NH2 B ARG   A 1 153 ? 6.293  14.144  50.936 0.40 17.11 ? 153 ARG   A NH2 1 
ATOM   1311 N  N   . LEU   A 1 154 ? 7.847  7.073   53.565 1.00 13.21 ? 154 LEU   A N   1 
ATOM   1312 C  CA  . LEU   A 1 154 ? 7.301  5.684   53.554 1.00 14.62 ? 154 LEU   A CA  1 
ATOM   1313 C  C   . LEU   A 1 154 ? 7.786  4.834   54.746 1.00 21.24 ? 154 LEU   A C   1 
ATOM   1314 O  O   . LEU   A 1 154 ? 7.262  3.741   54.910 1.00 22.86 ? 154 LEU   A O   1 
ATOM   1315 C  CB  . LEU   A 1 154 ? 7.655  4.999   52.234 1.00 14.34 ? 154 LEU   A CB  1 
ATOM   1316 C  CG  . LEU   A 1 154 ? 6.758  5.341   51.047 1.00 10.19 ? 154 LEU   A CG  1 
ATOM   1317 C  CD1 . LEU   A 1 154 ? 7.397  4.905   49.741 1.00 12.01 ? 154 LEU   A CD1 1 
ATOM   1318 C  CD2 . LEU   A 1 154 ? 5.380  4.708   51.198 1.00 16.75 ? 154 LEU   A CD2 1 
ATOM   1319 N  N   . VAL   A 1 155 ? 8.767  5.301   55.502 1.00 18.68 ? 155 VAL   A N   1 
ATOM   1320 C  CA  . VAL   A 1 155 ? 9.326  4.472   56.606 1.00 23.07 ? 155 VAL   A CA  1 
ATOM   1321 C  C   . VAL   A 1 155 ? 8.244  4.319   57.666 1.00 40.85 ? 155 VAL   A C   1 
ATOM   1322 O  O   . VAL   A 1 155 ? 7.796  3.188   57.921 1.00 35.97 ? 155 VAL   A O   1 
ATOM   1323 C  CB  . VAL   A 1 155 ? 10.549 5.149   57.221 1.00 25.31 ? 155 VAL   A CB  1 
ATOM   1324 C  CG1 . VAL   A 1 155 ? 10.993 4.395   58.463 1.00 27.45 ? 155 VAL   A CG1 1 
ATOM   1325 C  CG2 . VAL   A 1 155 ? 11.696 5.236   56.222 1.00 21.83 ? 155 VAL   A CG2 1 
ATOM   1326 N  N   . GLY   A 1 156 ? 7.808  5.450   58.204 1.00 35.21 ? 156 GLY   A N   1 
ATOM   1327 C  CA  . GLY   A 1 156 ? 6.767  5.407   59.231 1.00 44.51 ? 156 GLY   A CA  1 
ATOM   1328 C  C   . GLY   A 1 156 ? 6.982  4.235   60.176 1.00 48.40 ? 156 GLY   A C   1 
ATOM   1329 O  O   . GLY   A 1 156 ? 8.098  4.115   60.666 1.00 46.49 ? 156 GLY   A O   1 
ATOM   1330 N  N   . SER   A 1 157 ? 5.929  3.449   60.422 1.00 58.12 ? 157 SER   A N   1 
ATOM   1331 C  CA  . SER   A 1 157 ? 5.990  2.302   61.360 1.00 58.63 ? 157 SER   A CA  1 
ATOM   1332 C  C   . SER   A 1 157 ? 5.922  0.959   60.619 1.00 58.15 ? 157 SER   A C   1 
ATOM   1333 O  O   . SER   A 1 157 ? 5.781  -0.063  61.290 1.00 59.74 ? 157 SER   A O   1 
ATOM   1334 C  CB  . SER   A 1 157 ? 4.853  2.412   62.324 1.00 60.12 ? 157 SER   A CB  1 
ATOM   1335 O  OG  . SER   A 1 157 ? 3.614  2.276   61.645 1.00 55.71 ? 157 SER   A OG  1 
ATOM   1336 N  N   . GLN   A 1 158 ? 6.084  0.962   59.300 1.00 36.16 ? 158 GLN   A N   1 
ATOM   1337 C  CA  . GLN   A 1 158 ? 6.064  -0.273  58.488 1.00 35.78 ? 158 GLN   A CA  1 
ATOM   1338 C  C   . GLN   A 1 158 ? 7.159  -0.115  57.430 1.00 25.36 ? 158 GLN   A C   1 
ATOM   1339 O  O   . GLN   A 1 158 ? 6.823  0.134   56.269 1.00 23.04 ? 158 GLN   A O   1 
ATOM   1340 C  CB  . GLN   A 1 158 ? 4.679  -0.454  57.868 1.00 34.27 ? 158 GLN   A CB  1 
ATOM   1341 C  CG  . GLN   A 1 158 ? 3.544  -0.423  58.885 1.00 43.52 ? 158 GLN   A CG  1 
ATOM   1342 C  CD  . GLN   A 1 158 ? 2.225  -0.843  58.282 1.00 40.43 ? 158 GLN   A CD  1 
ATOM   1343 N  N   . ALA   A 1 159 ? 8.412  -0.307  57.822 1.00 25.02 ? 159 ALA   A N   1 
ATOM   1344 C  CA  . ALA   A 1 159 ? 9.540  -0.018  56.893 1.00 20.86 ? 159 ALA   A CA  1 
ATOM   1345 C  C   . ALA   A 1 159 ? 9.591  -0.961  55.680 1.00 13.92 ? 159 ALA   A C   1 
ATOM   1346 O  O   . ALA   A 1 159 ? 9.877  -0.489  54.613 1.00 13.54 ? 159 ALA   A O   1 
ATOM   1347 C  CB  . ALA   A 1 159 ? 10.825 -0.061  57.669 1.00 20.91 ? 159 ALA   A CB  1 
ATOM   1348 N  N   . GLY   A 1 160 ? 9.352  -2.251  55.919 1.00 15.12 ? 160 GLY   A N   1 
ATOM   1349 C  CA  . GLY   A 1 160 ? 9.426  -3.218  54.810 1.00 12.83 ? 160 GLY   A CA  1 
ATOM   1350 C  C   . GLY   A 1 160 ? 8.382  -2.904  53.759 1.00 10.39 ? 160 GLY   A C   1 
ATOM   1351 O  O   . GLY   A 1 160 ? 8.685  -2.937  52.595 1.00 11.99 ? 160 GLY   A O   1 
ATOM   1352 N  N   . LEU   A 1 161 ? 7.183  -2.633  54.234 1.00 11.67 ? 161 LEU   A N   1 
ATOM   1353 C  CA  . LEU   A 1 161 ? 6.080  -2.277  53.310 1.00 11.46 ? 161 LEU   A CA  1 
ATOM   1354 C  C   . LEU   A 1 161 ? 6.459  -1.038  52.482 1.00 10.03 ? 161 LEU   A C   1 
ATOM   1355 O  O   . LEU   A 1 161 ? 6.253  -1.040  51.296 1.00 10.13 ? 161 LEU   A O   1 
ATOM   1356 C  CB  . LEU   A 1 161 ? 4.843  -2.014  54.168 1.00 13.67 ? 161 LEU   A CB  1 
ATOM   1357 C  CG  . LEU   A 1 161 ? 3.648  -1.385  53.461 1.00 14.03 ? 161 LEU   A CG  1 
ATOM   1358 C  CD1 . LEU   A 1 161 ? 3.097  -2.339  52.420 1.00 15.34 ? 161 LEU   A CD1 1 
ATOM   1359 C  CD2 . LEU   A 1 161 ? 2.570  -1.029  54.474 1.00 17.23 ? 161 LEU   A CD2 1 
ATOM   1360 N  N   . GLY   A 1 162 ? 6.971  -0.021  53.156 1.00 11.23 ? 162 GLY   A N   1 
ATOM   1361 C  CA  . GLY   A 1 162 ? 7.362  1.188   52.419 1.00 9.97  ? 162 GLY   A CA  1 
ATOM   1362 C  C   . GLY   A 1 162 ? 8.469  0.927   51.411 1.00 10.50 ? 162 GLY   A C   1 
ATOM   1363 O  O   . GLY   A 1 162 ? 8.470  1.538   50.370 1.00 11.07 ? 162 GLY   A O   1 
ATOM   1364 N  N   . GLU   A 1 163 ? 9.421  0.096   51.799 1.00 8.31  ? 163 GLU   A N   1 
ATOM   1365 C  CA  . GLU   A 1 163 ? 10.569 -0.148  50.896 1.00 8.86  ? 163 GLU   A CA  1 
ATOM   1366 C  C   . GLU   A 1 163 ? 10.089 -0.890  49.640 1.00 8.62  ? 163 GLU   A C   1 
ATOM   1367 O  O   . GLU   A 1 163 ? 10.544 -0.600  48.553 1.00 9.02  ? 163 GLU   A O   1 
ATOM   1368 C  CB  . GLU   A 1 163 ? 11.644 -0.930  51.656 1.00 12.26 ? 163 GLU   A CB  1 
ATOM   1369 C  CG  . GLU   A 1 163 ? 12.976 -0.951  50.941 1.00 14.39 ? 163 GLU   A CG  1 
ATOM   1370 C  CD  . GLU   A 1 163 ? 14.189 -1.375  51.749 1.00 13.45 ? 163 GLU   A CD  1 
ATOM   1371 O  OE1 . GLU   A 1 163 ? 14.014 -1.916  52.853 1.00 18.39 ? 163 GLU   A OE1 1 
ATOM   1372 O  OE2 . GLU   A 1 163 ? 15.293 -1.205  51.241 1.00 11.68 ? 163 GLU   A OE2 1 
ATOM   1373 N  N   . TYR   A 1 164 ? 9.206  -1.851  49.830 1.00 9.61  ? 164 TYR   A N   1 
ATOM   1374 C  CA  . TYR   A 1 164 ? 8.610  -2.548  48.669 1.00 8.26  ? 164 TYR   A CA  1 
ATOM   1375 C  C   . TYR   A 1 164 ? 7.821  -1.580  47.772 1.00 7.17  ? 164 TYR   A C   1 
ATOM   1376 O  O   . TYR   A 1 164 ? 7.983  -1.605  46.587 1.00 8.03  ? 164 TYR   A O   1 
ATOM   1377 C  CB  . TYR   A 1 164 ? 7.691  -3.651  49.215 1.00 7.66  ? 164 TYR   A CB  1 
ATOM   1378 C  CG  . TYR   A 1 164 ? 6.908  -4.409  48.168 1.00 7.86  ? 164 TYR   A CG  1 
ATOM   1379 C  CD1 . TYR   A 1 164 ? 7.516  -5.385  47.401 1.00 10.56 ? 164 TYR   A CD1 1 
ATOM   1380 C  CD2 . TYR   A 1 164 ? 5.567  -4.153  47.935 1.00 8.74  ? 164 TYR   A CD2 1 
ATOM   1381 C  CE1 . TYR   A 1 164 ? 6.819  -6.092  46.438 1.00 8.19  ? 164 TYR   A CE1 1 
ATOM   1382 C  CE2 . TYR   A 1 164 ? 4.852  -4.852  46.976 1.00 9.48  ? 164 TYR   A CE2 1 
ATOM   1383 C  CZ  . TYR   A 1 164 ? 5.480  -5.828  46.227 1.00 8.47  ? 164 TYR   A CZ  1 
ATOM   1384 O  OH  . TYR   A 1 164 ? 4.808  -6.525  45.272 1.00 8.61  ? 164 TYR   A OH  1 
ATOM   1385 N  N   . LEU   A 1 165 ? 6.955  -0.786  48.400 1.00 7.92  ? 165 LEU   A N   1 
ATOM   1386 C  CA  . LEU   A 1 165 ? 6.100  0.121   47.600 1.00 7.16  ? 165 LEU   A CA  1 
ATOM   1387 C  C   . LEU   A 1 165 ? 6.923  1.144   46.784 1.00 7.26  ? 165 LEU   A C   1 
ATOM   1388 O  O   . LEU   A 1 165 ? 6.570  1.410   45.664 1.00 8.69  ? 165 LEU   A O   1 
ATOM   1389 C  CB  . LEU   A 1 165 ? 5.114  0.816   48.545 1.00 8.68  ? 165 LEU   A CB  1 
ATOM   1390 C  CG  . LEU   A 1 165 ? 3.967  -0.071  49.020 1.00 9.44  ? 165 LEU   A CG  1 
ATOM   1391 C  CD1 . LEU   A 1 165 ? 3.138  0.638   50.075 1.00 13.37 ? 165 LEU   A CD1 1 
ATOM   1392 C  CD2 . LEU   A 1 165 ? 3.096  -0.500  47.854 1.00 12.12 ? 165 LEU   A CD2 1 
ATOM   1393 N  N   . PHE   A 1 166 ? 7.982  1.659   47.395 1.00 9.62  ? 166 PHE   A N   1 
ATOM   1394 C  CA  . PHE   A 1 166 ? 8.820  2.633   46.659 1.00 7.91  ? 166 PHE   A CA  1 
ATOM   1395 C  C   . PHE   A 1 166 ? 9.441  1.961   45.426 1.00 7.86  ? 166 PHE   A C   1 
ATOM   1396 O  O   . PHE   A 1 166 ? 9.463  2.524   44.374 1.00 7.59  ? 166 PHE   A O   1 
ATOM   1397 C  CB  . PHE   A 1 166 ? 9.897  3.227   47.572 1.00 9.46  ? 166 PHE   A CB  1 
ATOM   1398 C  CG  . PHE   A 1 166 ? 10.740 4.263   46.876 1.00 8.66  ? 166 PHE   A CG  1 
ATOM   1399 C  CD1 . PHE   A 1 166 ? 10.225 5.522   46.613 1.00 10.13 ? 166 PHE   A CD1 1 
ATOM   1400 C  CD2 . PHE   A 1 166 ? 12.016 3.967   46.434 1.00 9.50  ? 166 PHE   A CD2 1 
ATOM   1401 C  CE1 . PHE   A 1 166 ? 10.982 6.475   45.954 1.00 10.41 ? 166 PHE   A CE1 1 
ATOM   1402 C  CE2 . PHE   A 1 166 ? 12.767 4.921   45.770 1.00 9.88  ? 166 PHE   A CE2 1 
ATOM   1403 C  CZ  . PHE   A 1 166 ? 12.250 6.170   45.528 1.00 10.24 ? 166 PHE   A CZ  1 
ATOM   1404 N  N   . GLU   A 1 167 ? 9.981  0.768   45.641 1.00 7.52  ? 167 GLU   A N   1 
ATOM   1405 C  CA  . GLU   A 1 167 ? 10.626 0.063   44.517 1.00 8.60  ? 167 GLU   A CA  1 
ATOM   1406 C  C   . GLU   A 1 167 ? 9.590  -0.230  43.418 1.00 7.42  ? 167 GLU   A C   1 
ATOM   1407 O  O   . GLU   A 1 167 ? 9.911  -0.103  42.261 1.00 8.85  ? 167 GLU   A O   1 
ATOM   1408 C  CB  . GLU   A 1 167 ? 11.319 -1.202  45.048 1.00 8.36  ? 167 GLU   A CB  1 
ATOM   1409 C  CG  . GLU   A 1 167 ? 12.006 -2.026  43.969 1.00 8.67  ? 167 GLU   A CG  1 
ATOM   1410 C  CD  . GLU   A 1 167 ? 11.145 -3.105  43.328 1.00 7.08  ? 167 GLU   A CD  1 
ATOM   1411 O  OE1 . GLU   A 1 167 ? 10.189 -3.544  43.975 1.00 8.70  ? 167 GLU   A OE1 1 
ATOM   1412 O  OE2 . GLU   A 1 167 ? 11.440 -3.489  42.196 1.00 8.50  ? 167 GLU   A OE2 1 
ATOM   1413 N  N   . ARG   A 1 168 ? 8.400  -0.660  43.825 1.00 8.14  ? 168 ARG   A N   1 
ATOM   1414 C  CA  . ARG   A 1 168 ? 7.377  -1.045  42.832 1.00 7.53  ? 168 ARG   A CA  1 
ATOM   1415 C  C   . ARG   A 1 168 ? 6.744  0.151   42.118 1.00 7.51  ? 168 ARG   A C   1 
ATOM   1416 O  O   . ARG   A 1 168 ? 6.500  0.040   40.932 1.00 9.97  ? 168 ARG   A O   1 
ATOM   1417 C  CB  . ARG   A 1 168 ? 6.203  -1.752  43.522 1.00 8.68  ? 168 ARG   A CB  1 
ATOM   1418 C  CG  . ARG   A 1 168 ? 6.513  -3.143  44.062 1.00 7.83  ? 168 ARG   A CG  1 
ATOM   1419 C  CD  . ARG   A 1 168 ? 6.577  -4.202  42.978 1.00 8.24  ? 168 ARG   A CD  1 
ATOM   1420 N  NE  . ARG   A 1 168 ? 7.933  -4.368  42.475 1.00 8.08  ? 168 ARG   A NE  1 
ATOM   1421 C  CZ  . ARG   A 1 168 ? 8.258  -5.156  41.466 1.00 9.50  ? 168 ARG   A CZ  1 
ATOM   1422 N  NH1 . ARG   A 1 168 ? 7.324  -5.862  40.853 1.00 11.47 ? 168 ARG   A NH1 1 
ATOM   1423 N  NH2 . ARG   A 1 168 ? 9.516  -5.246  41.079 1.00 11.67 ? 168 ARG   A NH2 1 
ATOM   1424 N  N   . LEU   A 1 169 ? 6.484  1.234   42.858 1.00 7.83  ? 169 LEU   A N   1 
ATOM   1425 C  CA  . LEU   A 1 169 ? 5.664  2.331   42.262 1.00 9.55  ? 169 LEU   A CA  1 
ATOM   1426 C  C   . LEU   A 1 169 ? 6.493  3.543   41.802 1.00 9.81  ? 169 LEU   A C   1 
ATOM   1427 O  O   . LEU   A 1 169 ? 5.961  4.359   41.096 1.00 9.50  ? 169 LEU   A O   1 
ATOM   1428 C  CB  . LEU   A 1 169 ? 4.584  2.733   43.284 1.00 8.93  ? 169 LEU   A CB  1 
ATOM   1429 C  CG  . LEU   A 1 169 ? 3.646  1.603   43.702 1.00 8.79  ? 169 LEU   A CG  1 
ATOM   1430 C  CD1 . LEU   A 1 169 ? 2.593  2.105   44.675 1.00 11.00 ? 169 LEU   A CD1 1 
ATOM   1431 C  CD2 . LEU   A 1 169 ? 2.985  0.977   42.487 1.00 11.61 ? 169 LEU   A CD2 1 
ATOM   1432 N  N   . THR   A 1 170 ? 7.720  3.664   42.274 1.00 9.81  ? 170 THR   A N   1 
ATOM   1433 C  CA  . THR   A 1 170 ? 8.555  4.770   41.751 1.00 9.69  ? 170 THR   A CA  1 
ATOM   1434 C  C   . THR   A 1 170 ? 9.662  4.254   40.824 1.00 10.38 ? 170 THR   A C   1 
ATOM   1435 O  O   . THR   A 1 170 ? 9.834  4.809   39.767 1.00 12.85 ? 170 THR   A O   1 
ATOM   1436 C  CB  . THR   A 1 170 ? 9.163  5.552   42.923 1.00 7.35  ? 170 THR   A CB  1 
ATOM   1437 O  OG1 . THR   A 1 170 ? 8.110  6.183   43.649 1.00 9.84  ? 170 THR   A OG1 1 
ATOM   1438 C  CG2 . THR   A 1 170 ? 10.158 6.601   42.475 1.00 10.69 ? 170 THR   A CG2 1 
ATOM   1439 N  N   . LEU   A 1 171 ? 10.393 3.235   41.273 1.00 9.66  ? 171 LEU   A N   1 
ATOM   1440 C  CA  . LEU   A 1 171 ? 11.602 2.878   40.488 1.00 12.69 ? 171 LEU   A CA  1 
ATOM   1441 C  C   . LEU   A 1 171 ? 11.414 1.810   39.424 1.00 19.77 ? 171 LEU   A C   1 
ATOM   1442 O  O   . LEU   A 1 171 ? 12.054 1.951   38.384 1.00 21.84 ? 171 LEU   A O   1 
ATOM   1443 C  CB  . LEU   A 1 171 ? 12.685 2.363   41.437 1.00 11.41 ? 171 LEU   A CB  1 
ATOM   1444 C  CG  . LEU   A 1 171 ? 13.191 3.337   42.493 1.00 14.36 ? 171 LEU   A CG  1 
ATOM   1445 C  CD1 . LEU   A 1 171 ? 14.190 2.635   43.398 1.00 18.30 ? 171 LEU   A CD1 1 
ATOM   1446 C  CD2 . LEU   A 1 171 ? 13.838 4.538   41.834 1.00 13.27 ? 171 LEU   A CD2 1 
ATOM   1447 N  N   . LYS   A 1 172 ? 10.619 0.801   39.695 1.00 23.13 ? 172 LYS   A N   1 
ATOM   1448 C  CA  A LYS   A 1 172 ? 10.552 -0.401  38.794 0.70 25.67 ? 172 LYS   A CA  1 
ATOM   1449 C  CA  B LYS   A 1 172 ? 10.539 -0.361  38.763 0.30 25.62 ? 172 LYS   A CA  1 
ATOM   1450 C  C   . LYS   A 1 172 ? 10.099 0.094   37.345 1.00 32.78 ? 172 LYS   A C   1 
ATOM   1451 O  O   . LYS   A 1 172 ? 9.172  0.944   37.104 1.00 39.17 ? 172 LYS   A O   1 
ATOM   1452 C  CB  A LYS   A 1 172 ? 9.611  -1.479  39.369 0.70 19.80 ? 172 LYS   A CB  1 
ATOM   1453 C  CB  B LYS   A 1 172 ? 9.611  -1.445  39.329 0.30 19.85 ? 172 LYS   A CB  1 
ATOM   1454 C  CG  A LYS   A 1 172 ? 9.431  -2.718  38.501 0.70 21.34 ? 172 LYS   A CG  1 
ATOM   1455 C  CG  B LYS   A 1 172 ? 9.447  -2.684  38.459 0.30 21.33 ? 172 LYS   A CG  1 
ATOM   1456 C  CD  A LYS   A 1 172 ? 10.747 -3.302  38.037 0.70 19.56 ? 172 LYS   A CD  1 
ATOM   1457 C  CD  B LYS   A 1 172 ? 8.044  -3.230  38.515 0.30 15.89 ? 172 LYS   A CD  1 
ATOM   1458 C  CE  A LYS   A 1 172 ? 10.559 -4.589  37.261 0.70 23.90 ? 172 LYS   A CE  1 
ATOM   1459 C  CE  B LYS   A 1 172 ? 7.226  -2.553  39.593 0.30 16.72 ? 172 LYS   A CE  1 
ATOM   1460 N  NZ  A LYS   A 1 172 ? 10.674 -4.386  35.798 0.70 26.53 ? 172 LYS   A NZ  1 
ATOM   1461 N  NZ  B LYS   A 1 172 ? 5.785  -2.502  39.256 0.30 14.79 ? 172 LYS   A NZ  1 
ATOM   1462 N  N   . HIS   A 1 173 ? 10.886 -0.341  36.376 1.00 25.37 ? 173 HIS   A N   1 
ATOM   1463 C  CA  . HIS   A 1 173 ? 10.543 0.098   34.995 1.00 46.68 ? 173 HIS   A CA  1 
ATOM   1464 C  C   . HIS   A 1 173 ? 10.730 -1.062  34.004 1.00 43.22 ? 173 HIS   A C   1 
ATOM   1465 O  O   . HIS   A 1 173 ? 11.280 -2.078  34.439 1.00 51.74 ? 173 HIS   A O   1 
ATOM   1466 C  CB  . HIS   A 1 173 ? 11.320 1.354   34.576 1.00 43.17 ? 173 HIS   A CB  1 
ATOM   1467 C  CG  . HIS   A 1 173 ? 12.778 1.151   34.432 1.00 48.75 ? 173 HIS   A CG  1 
ATOM   1468 N  ND1 . HIS   A 1 173 ? 13.307 0.336   33.460 1.00 58.89 ? 173 HIS   A ND1 1 
ATOM   1469 C  CD2 . HIS   A 1 173 ? 13.812 1.662   35.126 1.00 47.12 ? 173 HIS   A CD2 1 
ATOM   1470 C  CE1 . HIS   A 1 173 ? 14.617 0.341   33.564 1.00 60.19 ? 173 HIS   A CE1 1 
ATOM   1471 N  NE2 . HIS   A 1 173 ? 14.948 1.146   34.579 1.00 55.83 ? 173 HIS   A NE2 1 
HETATM 1472 CD CD  . CD    B 2 .   ? 48.983 0.001   41.690 0.40 11.00 ? 201 CD    A CD  1 
HETATM 1473 CD CD  . CD    C 2 .   ? 27.091 27.085  27.096 0.16 23.04 ? 202 CD    A CD  1 
HETATM 1474 CD CD  . CD    D 2 .   ? 29.414 29.412  29.421 0.08 20.44 ? 203 CD    A CD  1 
HETATM 1475 CD CD  . CD    E 2 .   ? 29.330 29.888  31.123 0.29 20.57 ? 204 CD    A CD  1 
HETATM 1476 CD CD  . CD    F 2 .   ? 30.102 18.417  23.244 0.18 26.13 ? 205 CD    A CD  1 
HETATM 1477 CD CD  . CD    G 2 .   ? 29.941 5.570   25.417 0.18 17.61 ? 206 CD    A CD  1 
HETATM 1478 CL CL  . CL    H 3 .   ? 49.555 -1.756  40.097 1.00 26.83 ? 207 CL    A CL  1 
HETATM 1479 S  S   . SO4   I 4 .   ? 49.792 28.221  24.496 1.00 24.60 ? 208 SO4   A S   1 
HETATM 1480 O  O1  . SO4   I 4 .   ? 49.980 28.621  23.139 1.00 32.44 ? 208 SO4   A O1  1 
HETATM 1481 O  O2  . SO4   I 4 .   ? 48.752 28.991  25.093 1.00 29.34 ? 208 SO4   A O2  1 
HETATM 1482 O  O3  . SO4   I 4 .   ? 49.442 26.839  24.544 1.00 29.04 ? 208 SO4   A O3  1 
HETATM 1483 O  O4  . SO4   I 4 .   ? 51.005 28.429  25.224 1.00 34.99 ? 208 SO4   A O4  1 
HETATM 1484 S  S   . SO4   J 4 .   ? 30.898 -3.031  55.145 0.44 23.46 ? 209 SO4   A S   1 
HETATM 1485 O  O1  . SO4   J 4 .   ? 32.060 -2.936  54.306 0.44 15.22 ? 209 SO4   A O1  1 
HETATM 1486 O  O2  . SO4   J 4 .   ? 29.735 -3.096  54.322 0.44 8.85  ? 209 SO4   A O2  1 
HETATM 1487 O  O3  . SO4   J 4 .   ? 30.988 -4.206  55.963 0.44 24.44 ? 209 SO4   A O3  1 
HETATM 1488 O  O4  . SO4   J 4 .   ? 30.841 -1.885  56.001 0.44 25.78 ? 209 SO4   A O4  1 
HETATM 1489 C  C1  . EDO   K 5 .   ? 18.130 -4.715  52.424 1.00 16.68 ? 210 EDO   A C1  1 
HETATM 1490 O  O1  . EDO   K 5 .   ? 17.465 -5.854  52.912 1.00 24.07 ? 210 EDO   A O1  1 
HETATM 1491 C  C2  . EDO   K 5 .   ? 17.188 -3.623  52.123 1.00 17.70 ? 210 EDO   A C2  1 
HETATM 1492 O  O2  . EDO   K 5 .   ? 16.497 -3.233  53.289 1.00 17.46 ? 210 EDO   A O2  1 
HETATM 1493 C  C1  . EDO   L 5 .   ? 19.648 7.655   37.308 1.00 26.22 ? 211 EDO   A C1  1 
HETATM 1494 O  O1  . EDO   L 5 .   ? 19.894 8.429   36.155 1.00 31.45 ? 211 EDO   A O1  1 
HETATM 1495 C  C2  . EDO   L 5 .   ? 19.483 6.214   36.995 1.00 18.85 ? 211 EDO   A C2  1 
HETATM 1496 O  O2  . EDO   L 5 .   ? 18.504 6.011   36.010 1.00 30.35 ? 211 EDO   A O2  1 
HETATM 1497 C  C1  . EDO   M 5 .   ? 21.065 -7.868  37.757 1.00 18.82 ? 212 EDO   A C1  1 
HETATM 1498 O  O1  . EDO   M 5 .   ? 20.159 -6.936  37.204 1.00 21.41 ? 212 EDO   A O1  1 
HETATM 1499 C  C2  . EDO   M 5 .   ? 20.645 -9.260  37.470 1.00 21.62 ? 212 EDO   A C2  1 
HETATM 1500 O  O2  . EDO   M 5 .   ? 20.581 -9.505  36.085 1.00 27.24 ? 212 EDO   A O2  1 
HETATM 1501 C  C1  . EDO   N 5 .   ? 14.454 2.419   54.110 1.00 23.42 ? 213 EDO   A C1  1 
HETATM 1502 O  O1  . EDO   N 5 .   ? 14.590 1.978   52.776 1.00 13.77 ? 213 EDO   A O1  1 
HETATM 1503 C  C2  . EDO   N 5 .   ? 13.421 1.720   54.903 1.00 20.86 ? 213 EDO   A C2  1 
HETATM 1504 O  O2  . EDO   N 5 .   ? 13.720 0.356   55.084 1.00 35.52 ? 213 EDO   A O2  1 
HETATM 1505 C  C1  . A1L52 O 6 .   ? 37.301 0.444   34.303 0.38 22.10 ? 214 A1L52 A C1  1 
HETATM 1506 O  O2  . A1L52 O 6 .   ? 33.302 -0.076  30.868 0.38 14.69 ? 214 A1L52 A O2  1 
HETATM 1507 C  C3  . A1L52 O 6 .   ? 34.973 0.547   36.648 0.38 18.59 ? 214 A1L52 A C3  1 
HETATM 1508 C  C4  . A1L52 O 6 .   ? 34.441 -0.456  37.632 0.38 23.07 ? 214 A1L52 A C4  1 
HETATM 1509 C  C5  . A1L52 O 6 .   ? 34.009 0.071   34.429 0.38 20.67 ? 214 A1L52 A C5  1 
HETATM 1510 C  C6  . A1L52 O 6 .   ? 32.685 0.241   34.918 0.38 14.09 ? 214 A1L52 A C6  1 
HETATM 1511 C  C7  . A1L52 O 6 .   ? 31.611 0.304   34.078 0.38 15.67 ? 214 A1L52 A C7  1 
HETATM 1512 C  C8  . A1L52 O 6 .   ? 31.786 0.200   32.698 0.38 15.52 ? 214 A1L52 A C8  1 
HETATM 1513 C  C9  . A1L52 O 6 .   ? 30.922 0.157   30.539 0.38 23.95 ? 214 A1L52 A C9  1 
HETATM 1514 C  C12 . A1L52 O 6 .   ? 27.437 0.439   29.239 0.38 33.32 ? 214 A1L52 A C12 1 
HETATM 1515 C  C13 . A1L52 O 6 .   ? 27.645 0.339   27.857 0.38 32.42 ? 214 A1L52 A C13 1 
HETATM 1516 C  C14 . A1L52 O 6 .   ? 28.918 0.176   27.364 0.38 34.99 ? 214 A1L52 A C14 1 
HETATM 1517 C  C15 . A1L52 O 6 .   ? 30.021 0.116   28.252 0.38 27.76 ? 214 A1L52 A C15 1 
HETATM 1518 C  C16 . A1L52 O 6 .   ? 31.328 -0.051  27.757 0.38 26.40 ? 214 A1L52 A C16 1 
HETATM 1519 C  C17 . A1L52 O 6 .   ? 32.441 -0.112  28.659 0.38 17.01 ? 214 A1L52 A C17 1 
HETATM 1520 C  C18 . A1L52 O 6 .   ? 32.231 -0.013  30.021 0.38 17.07 ? 214 A1L52 A C18 1 
HETATM 1521 C  C20 . A1L52 O 6 .   ? 34.193 -0.033  33.052 0.38 18.41 ? 214 A1L52 A C20 1 
HETATM 1522 C  C2  . A1L52 O 6 .   ? 36.353 -0.563  34.892 0.38 19.22 ? 214 A1L52 A C2  1 
HETATM 1523 N  N1  . A1L52 O 6 .   ? 35.068 0.018   35.287 0.38 23.25 ? 214 A1L52 A N1  1 
HETATM 1524 N  N2  . A1L52 O 6 .   ? 30.696 0.263   31.845 0.38 20.21 ? 214 A1L52 A N2  1 
HETATM 1525 C  C10 . A1L52 O 6 .   ? 29.804 0.221   29.646 0.38 26.17 ? 214 A1L52 A C10 1 
HETATM 1526 C  C11 . A1L52 O 6 .   ? 28.493 0.384   30.112 0.38 29.22 ? 214 A1L52 A C11 1 
HETATM 1527 O  O1  . A1L52 O 6 .   ? 31.502 -0.141  26.528 0.38 31.67 ? 214 A1L52 A O1  1 
HETATM 1528 C  C19 . A1L52 O 6 .   ? 33.095 0.028   32.215 0.38 18.14 ? 214 A1L52 A C19 1 
HETATM 1529 O  O   . HOH   P 7 .   ? 37.170 15.210  18.299 0.55 19.40 ? 301 HOH   A O   1 
HETATM 1530 O  O   . HOH   P 7 .   ? 36.293 18.241  21.236 0.53 17.93 ? 302 HOH   A O   1 
HETATM 1531 O  O   . HOH   P 7 .   ? 35.715 18.323  23.925 0.81 22.46 ? 303 HOH   A O   1 
HETATM 1532 O  O   . HOH   P 7 .   ? 37.835 12.892  19.523 0.60 17.06 ? 304 HOH   A O   1 
HETATM 1533 O  O   . HOH   P 7 .   ? 3.900  -3.680  39.687 0.87 21.67 ? 305 HOH   A O   1 
HETATM 1534 O  O   . HOH   P 7 .   ? 49.701 15.723  15.753 1.00 13.48 ? 306 HOH   A O   1 
HETATM 1535 O  O   . HOH   P 7 .   ? 29.712 -6.114  55.230 1.00 36.64 ? 307 HOH   A O   1 
HETATM 1536 O  O   . HOH   P 7 .   ? 40.088 9.178   43.177 1.00 28.72 ? 308 HOH   A O   1 
HETATM 1537 O  O   . HOH   P 7 .   ? 45.904 20.058  39.112 1.00 18.67 ? 309 HOH   A O   1 
HETATM 1538 O  O   . HOH   P 7 .   ? 50.843 26.170  34.747 1.00 27.24 ? 310 HOH   A O   1 
HETATM 1539 O  O   . HOH   P 7 .   ? 27.823 26.228  25.192 1.00 28.82 ? 311 HOH   A O   1 
HETATM 1540 O  O   . HOH   P 7 .   ? 46.639 30.139  24.299 1.00 17.27 ? 312 HOH   A O   1 
HETATM 1541 O  O   . HOH   P 7 .   ? 25.900 11.353  36.097 1.00 24.86 ? 313 HOH   A O   1 
HETATM 1542 O  O   . HOH   P 7 .   ? 33.830 23.061  25.205 1.00 15.01 ? 314 HOH   A O   1 
HETATM 1543 O  O   . HOH   P 7 .   ? 45.164 23.957  19.088 0.40 24.57 ? 315 HOH   A O   1 
HETATM 1544 O  O   . HOH   P 7 .   ? 24.110 -9.544  55.056 1.00 34.38 ? 316 HOH   A O   1 
HETATM 1545 O  O   . HOH   P 7 .   ? 29.748 4.866   52.551 1.00 28.58 ? 317 HOH   A O   1 
HETATM 1546 O  O   . HOH   P 7 .   ? 5.214  2.217   55.403 1.00 24.64 ? 318 HOH   A O   1 
HETATM 1547 O  O   . HOH   P 7 .   ? 8.280  8.741   44.182 1.00 14.57 ? 319 HOH   A O   1 
HETATM 1548 O  O   . HOH   P 7 .   ? 16.197 7.771   36.969 1.00 31.60 ? 320 HOH   A O   1 
HETATM 1549 O  O   . HOH   P 7 .   ? 45.831 14.156  21.670 1.00 9.29  ? 321 HOH   A O   1 
HETATM 1550 O  O   . HOH   P 7 .   ? 30.235 5.214   49.112 1.00 25.11 ? 322 HOH   A O   1 
HETATM 1551 O  O   . HOH   P 7 .   ? 8.392  8.005   57.947 1.00 36.12 ? 323 HOH   A O   1 
HETATM 1552 O  O   . HOH   P 7 .   ? 16.449 -7.466  35.889 1.00 33.49 ? 324 HOH   A O   1 
HETATM 1553 O  O   . HOH   P 7 .   ? 14.946 -6.099  53.668 1.00 30.43 ? 325 HOH   A O   1 
HETATM 1554 O  O   . HOH   P 7 .   ? 42.558 20.519  19.536 1.00 8.82  ? 326 HOH   A O   1 
HETATM 1555 O  O   . HOH   P 7 .   ? 36.018 4.052   48.006 0.93 24.81 ? 327 HOH   A O   1 
HETATM 1556 O  O   . HOH   P 7 .   ? 31.703 -2.857  47.307 1.00 8.75  ? 328 HOH   A O   1 
HETATM 1557 O  O   . HOH   P 7 .   ? 18.811 6.981   33.553 1.00 37.23 ? 329 HOH   A O   1 
HETATM 1558 O  O   . HOH   P 7 .   ? 45.085 31.344  29.373 1.00 22.14 ? 330 HOH   A O   1 
HETATM 1559 O  O   . HOH   P 7 .   ? 35.617 3.497   25.840 1.00 16.02 ? 331 HOH   A O   1 
HETATM 1560 O  O   . HOH   P 7 .   ? 30.276 21.188  48.698 1.00 16.05 ? 332 HOH   A O   1 
HETATM 1561 O  O   . HOH   P 7 .   ? 20.294 0.231   58.171 1.00 31.06 ? 333 HOH   A O   1 
HETATM 1562 O  O   . HOH   P 7 .   ? 51.210 15.709  28.555 1.00 18.62 ? 334 HOH   A O   1 
HETATM 1563 O  O   . HOH   P 7 .   ? 44.173 25.409  31.106 1.00 10.63 ? 335 HOH   A O   1 
HETATM 1564 O  O   . HOH   P 7 .   ? 18.118 -0.858  33.653 1.00 27.67 ? 336 HOH   A O   1 
HETATM 1565 O  O   . HOH   P 7 .   ? 27.914 13.799  36.372 1.00 30.00 ? 337 HOH   A O   1 
HETATM 1566 O  O   . HOH   P 7 .   ? 44.463 22.313  23.446 1.00 8.25  ? 338 HOH   A O   1 
HETATM 1567 O  O   . HOH   P 7 .   ? 38.536 30.729  39.736 1.00 18.76 ? 339 HOH   A O   1 
HETATM 1568 O  O   . HOH   P 7 .   ? 31.969 13.445  50.726 1.00 27.18 ? 340 HOH   A O   1 
HETATM 1569 O  O   . HOH   P 7 .   ? 51.872 17.629  31.549 1.00 32.71 ? 341 HOH   A O   1 
HETATM 1570 O  O   . HOH   P 7 .   ? 46.098 10.304  26.201 1.00 15.37 ? 342 HOH   A O   1 
HETATM 1571 O  O   . HOH   P 7 .   ? 32.462 -5.382  47.981 1.00 8.61  ? 343 HOH   A O   1 
HETATM 1572 O  O   . HOH   P 7 .   ? 21.416 -12.573 39.576 1.00 11.46 ? 344 HOH   A O   1 
HETATM 1573 O  O   . HOH   P 7 .   ? 33.811 28.634  38.504 1.00 13.69 ? 345 HOH   A O   1 
HETATM 1574 O  O   . HOH   P 7 .   ? 40.385 27.232  26.166 1.00 9.48  ? 346 HOH   A O   1 
HETATM 1575 O  O   . HOH   P 7 .   ? 42.436 18.502  41.310 1.00 33.98 ? 347 HOH   A O   1 
HETATM 1576 O  O   . HOH   P 7 .   ? 31.309 3.267   25.010 1.00 27.48 ? 348 HOH   A O   1 
HETATM 1577 O  O   . HOH   P 7 .   ? 47.025 1.936   45.404 1.00 23.52 ? 349 HOH   A O   1 
HETATM 1578 O  O   . HOH   P 7 .   ? 10.357 -6.123  44.790 1.00 8.96  ? 350 HOH   A O   1 
HETATM 1579 O  O   . HOH   P 7 .   ? 11.108 -7.738  40.479 1.00 18.03 ? 351 HOH   A O   1 
HETATM 1580 O  O   . HOH   P 7 .   ? 42.660 8.811   35.510 1.00 11.64 ? 352 HOH   A O   1 
HETATM 1581 O  O   . HOH   P 7 .   ? 12.917 15.440  52.884 1.00 24.92 ? 353 HOH   A O   1 
HETATM 1582 O  O   . HOH   P 7 .   ? 26.820 10.385  31.882 1.00 33.60 ? 354 HOH   A O   1 
HETATM 1583 O  O   . HOH   P 7 .   ? 21.120 13.988  34.951 1.00 24.93 ? 355 HOH   A O   1 
HETATM 1584 O  O   . HOH   P 7 .   ? 15.884 3.544   37.170 0.63 18.70 ? 356 HOH   A O   1 
HETATM 1585 O  O   . HOH   P 7 .   ? 46.300 13.808  38.297 0.77 20.47 ? 357 HOH   A O   1 
HETATM 1586 O  O   . HOH   P 7 .   ? 18.798 -7.231  39.617 0.63 11.13 ? 358 HOH   A O   1 
HETATM 1587 O  O   . HOH   P 7 .   ? 26.748 21.459  39.011 1.00 8.88  ? 359 HOH   A O   1 
HETATM 1588 O  O   . HOH   P 7 .   ? 17.607 -6.976  38.159 0.69 19.76 ? 360 HOH   A O   1 
HETATM 1589 O  O   . HOH   P 7 .   ? 17.785 14.578  31.958 1.00 38.81 ? 361 HOH   A O   1 
HETATM 1590 O  O   . HOH   P 7 .   ? 35.040 2.527   53.913 1.00 26.92 ? 362 HOH   A O   1 
HETATM 1591 O  O   . HOH   P 7 .   ? 17.087 -4.069  55.820 1.00 28.04 ? 363 HOH   A O   1 
HETATM 1592 O  O   . HOH   P 7 .   ? 17.174 2.743   56.921 1.00 17.47 ? 364 HOH   A O   1 
HETATM 1593 O  O   . HOH   P 7 .   ? 29.737 14.609  49.695 1.00 15.73 ? 365 HOH   A O   1 
HETATM 1594 O  O   . HOH   P 7 .   ? 24.649 2.397   52.510 1.00 23.65 ? 366 HOH   A O   1 
HETATM 1595 O  O   . HOH   P 7 .   ? 37.018 -6.617  42.365 1.00 12.28 ? 367 HOH   A O   1 
HETATM 1596 O  O   . HOH   P 7 .   ? 39.894 25.095  41.953 1.00 21.08 ? 368 HOH   A O   1 
HETATM 1597 O  O   . HOH   P 7 .   ? 35.770 -5.625  49.863 1.00 15.86 ? 369 HOH   A O   1 
HETATM 1598 O  O   . HOH   P 7 .   ? 34.959 2.765   44.324 0.80 14.45 ? 370 HOH   A O   1 
HETATM 1599 O  O   . HOH   P 7 .   ? 11.268 13.232  41.010 1.00 25.57 ? 371 HOH   A O   1 
HETATM 1600 O  O   . HOH   P 7 .   ? 11.553 8.827   57.861 1.00 35.75 ? 372 HOH   A O   1 
HETATM 1601 O  O   . HOH   P 7 .   ? 24.210 5.809   54.044 1.00 15.67 ? 373 HOH   A O   1 
HETATM 1602 O  O   . HOH   P 7 .   ? 25.625 23.676  33.414 1.00 26.78 ? 374 HOH   A O   1 
HETATM 1603 O  O   . HOH   P 7 .   ? 35.089 16.399  45.891 1.00 21.62 ? 375 HOH   A O   1 
HETATM 1604 O  O   . HOH   P 7 .   ? 17.251 -7.988  40.771 1.00 21.16 ? 376 HOH   A O   1 
HETATM 1605 O  O   . HOH   P 7 .   ? 36.338 25.701  44.174 1.00 27.43 ? 377 HOH   A O   1 
HETATM 1606 O  O   . HOH   P 7 .   ? 14.722 1.304   38.135 1.00 20.34 ? 378 HOH   A O   1 
HETATM 1607 O  O   . HOH   P 7 .   ? 16.605 -10.650 53.984 1.00 29.84 ? 379 HOH   A O   1 
HETATM 1608 O  O   . HOH   P 7 .   ? 47.949 4.210   41.266 1.00 16.75 ? 380 HOH   A O   1 
HETATM 1609 O  O   . HOH   P 7 .   ? 15.758 16.054  38.327 1.00 14.76 ? 381 HOH   A O   1 
HETATM 1610 O  O   . HOH   P 7 .   ? 35.912 -4.760  53.021 1.00 22.39 ? 382 HOH   A O   1 
HETATM 1611 O  O   . HOH   P 7 .   ? 33.160 26.730  40.245 1.00 10.31 ? 383 HOH   A O   1 
HETATM 1612 O  O   . HOH   P 7 .   ? 29.019 7.706   49.594 1.00 14.44 ? 384 HOH   A O   1 
HETATM 1613 O  O   . HOH   P 7 .   ? 47.749 6.147   29.869 1.00 10.07 ? 385 HOH   A O   1 
HETATM 1614 O  O   . HOH   P 7 .   ? 49.360 13.595  31.703 1.00 14.71 ? 386 HOH   A O   1 
HETATM 1615 O  O   . HOH   P 7 .   ? 27.761 -5.741  45.756 1.00 11.48 ? 387 HOH   A O   1 
HETATM 1616 O  O   . HOH   P 7 .   ? 12.770 -4.211  53.800 0.57 22.67 ? 388 HOH   A O   1 
HETATM 1617 O  O   . HOH   P 7 .   ? 42.582 10.538  27.110 1.00 20.04 ? 389 HOH   A O   1 
HETATM 1618 O  O   . HOH   P 7 .   ? 20.518 -13.315 54.704 1.00 30.19 ? 390 HOH   A O   1 
HETATM 1619 O  O   . HOH   P 7 .   ? 30.930 20.253  23.935 0.85 31.84 ? 391 HOH   A O   1 
HETATM 1620 O  O   . HOH   P 7 .   ? 38.561 18.879  40.609 1.00 14.07 ? 392 HOH   A O   1 
HETATM 1621 O  O   . HOH   P 7 .   ? 48.990 24.695  26.274 1.00 14.56 ? 393 HOH   A O   1 
HETATM 1622 O  O   . HOH   P 7 .   ? 7.409  1.994   38.997 1.00 21.53 ? 394 HOH   A O   1 
HETATM 1623 O  O   . HOH   P 7 .   ? 32.216 4.110   47.532 1.00 11.77 ? 395 HOH   A O   1 
HETATM 1624 O  O   . HOH   P 7 .   ? 13.364 -1.418  37.102 1.00 27.86 ? 396 HOH   A O   1 
HETATM 1625 O  O   . HOH   P 7 .   ? 44.565 5.895   42.864 1.00 25.50 ? 397 HOH   A O   1 
HETATM 1626 O  O   . HOH   P 7 .   ? 50.676 20.956  36.912 1.00 31.36 ? 398 HOH   A O   1 
HETATM 1627 O  O   . HOH   P 7 .   ? 12.889 0.839   47.982 1.00 12.78 ? 399 HOH   A O   1 
HETATM 1628 O  O   . HOH   P 7 .   ? 42.841 24.917  22.347 1.00 6.88  ? 400 HOH   A O   1 
HETATM 1629 O  O   . HOH   P 7 .   ? 43.548 34.074  37.513 1.00 39.94 ? 401 HOH   A O   1 
HETATM 1630 O  O   . HOH   P 7 .   ? 26.910 -7.596  49.597 1.00 10.27 ? 402 HOH   A O   1 
HETATM 1631 O  O   . HOH   P 7 .   ? 35.777 4.936   45.940 0.82 21.55 ? 403 HOH   A O   1 
HETATM 1632 O  O   . HOH   P 7 .   ? 30.058 22.397  23.998 0.70 31.90 ? 404 HOH   A O   1 
HETATM 1633 O  O   . HOH   P 7 .   ? 38.812 21.508  27.673 1.00 8.88  ? 405 HOH   A O   1 
HETATM 1634 O  O   . HOH   P 7 .   ? 12.069 18.164  39.779 1.00 17.13 ? 406 HOH   A O   1 
HETATM 1635 O  O   . HOH   P 7 .   ? 10.687 10.130  43.932 1.00 14.38 ? 407 HOH   A O   1 
HETATM 1636 O  O   . HOH   P 7 .   ? 13.704 15.159  39.819 1.00 17.47 ? 408 HOH   A O   1 
HETATM 1637 O  O   . HOH   P 7 .   ? 26.010 -1.066  34.669 1.00 18.14 ? 409 HOH   A O   1 
HETATM 1638 O  O   . HOH   P 7 .   ? 25.670 16.130  27.570 1.00 33.89 ? 410 HOH   A O   1 
HETATM 1639 O  O   . HOH   P 7 .   ? 34.177 -2.142  50.870 1.00 14.40 ? 411 HOH   A O   1 
HETATM 1640 O  O   . HOH   P 7 .   ? 49.729 17.402  34.049 1.00 17.79 ? 412 HOH   A O   1 
HETATM 1641 O  O   . HOH   P 7 .   ? 14.506 7.286   39.065 1.00 17.27 ? 413 HOH   A O   1 
HETATM 1642 O  O   . HOH   P 7 .   ? 22.859 5.577   56.326 1.00 26.52 ? 414 HOH   A O   1 
HETATM 1643 O  O   . HOH   P 7 .   ? 38.663 -3.559  53.767 1.00 24.83 ? 415 HOH   A O   1 
HETATM 1644 O  O   . HOH   P 7 .   ? 34.192 10.657  45.625 1.00 30.32 ? 416 HOH   A O   1 
HETATM 1645 O  O   . HOH   P 7 .   ? 34.086 8.655   43.391 1.00 16.03 ? 417 HOH   A O   1 
HETATM 1646 O  O   . HOH   P 7 .   ? 16.223 9.843   56.978 1.00 34.54 ? 418 HOH   A O   1 
HETATM 1647 O  O   . HOH   P 7 .   ? 8.040  -7.508  38.580 1.00 37.73 ? 419 HOH   A O   1 
HETATM 1648 O  O   . HOH   P 7 .   ? 10.706 3.604   52.229 1.00 21.52 ? 420 HOH   A O   1 
HETATM 1649 O  O   . HOH   P 7 .   ? 39.949 16.681  39.837 1.00 14.65 ? 421 HOH   A O   1 
HETATM 1650 O  O   . HOH   P 7 .   ? 6.145  -1.524  36.551 1.00 39.75 ? 422 HOH   A O   1 
HETATM 1651 O  O   . HOH   P 7 .   ? 12.815 2.524   50.535 1.00 16.95 ? 423 HOH   A O   1 
HETATM 1652 O  O   . HOH   P 7 .   ? 20.650 -12.337 36.768 0.41 13.31 ? 424 HOH   A O   1 
HETATM 1653 O  O   . HOH   P 7 .   ? 41.074 5.460   43.538 0.79 15.88 ? 425 HOH   A O   1 
HETATM 1654 O  O   . HOH   P 7 .   ? 12.285 -7.058  42.979 1.00 8.89  ? 426 HOH   A O   1 
HETATM 1655 O  O   . HOH   P 7 .   ? 21.083 3.059   59.087 1.00 40.09 ? 427 HOH   A O   1 
HETATM 1656 O  O   . HOH   P 7 .   ? 34.676 -1.917  53.501 1.00 28.68 ? 428 HOH   A O   1 
HETATM 1657 O  O   . HOH   P 7 .   ? 38.235 33.200  32.817 1.00 30.40 ? 429 HOH   A O   1 
HETATM 1658 O  O   . HOH   P 7 .   ? 30.621 9.095   26.673 1.00 22.21 ? 430 HOH   A O   1 
HETATM 1659 O  O   . HOH   P 7 .   ? 49.971 9.033   29.095 1.00 23.54 ? 431 HOH   A O   1 
HETATM 1660 O  O   . HOH   P 7 .   ? 38.493 33.059  37.952 1.00 31.80 ? 432 HOH   A O   1 
HETATM 1661 O  O   . HOH   P 7 .   ? 6.337  -3.398  56.941 1.00 28.00 ? 433 HOH   A O   1 
HETATM 1662 O  O   . HOH   P 7 .   ? 49.927 26.248  20.902 1.00 27.90 ? 434 HOH   A O   1 
HETATM 1663 O  O   . HOH   P 7 .   ? 25.419 19.722  31.913 1.00 18.39 ? 435 HOH   A O   1 
HETATM 1664 O  O   . HOH   P 7 .   ? 45.011 27.807  30.170 1.00 15.08 ? 436 HOH   A O   1 
HETATM 1665 O  O   . HOH   P 7 .   ? 34.737 13.974  21.854 1.00 31.83 ? 437 HOH   A O   1 
HETATM 1666 O  O   . HOH   P 7 .   ? 42.863 32.565  27.255 1.00 15.35 ? 438 HOH   A O   1 
HETATM 1667 O  O   . HOH   P 7 .   ? 38.685 18.784  43.529 1.00 24.00 ? 439 HOH   A O   1 
HETATM 1668 O  O   . HOH   P 7 .   ? 33.163 6.316   44.806 0.81 16.11 ? 440 HOH   A O   1 
HETATM 1669 O  O   . HOH   P 7 .   ? 48.013 30.038  27.759 1.00 39.77 ? 441 HOH   A O   1 
HETATM 1670 O  O   . HOH   P 7 .   ? 50.862 24.694  32.241 1.00 20.34 ? 442 HOH   A O   1 
HETATM 1671 O  O   . HOH   P 7 .   ? 34.603 30.928  33.616 0.58 24.77 ? 443 HOH   A O   1 
HETATM 1672 O  O   . HOH   P 7 .   ? 23.911 -4.076  54.754 1.00 23.93 ? 444 HOH   A O   1 
HETATM 1673 O  O   . HOH   P 7 .   ? 34.186 14.855  49.860 1.00 32.70 ? 445 HOH   A O   1 
HETATM 1674 O  O   . HOH   P 7 .   ? 9.869  12.884  53.968 1.00 23.15 ? 446 HOH   A O   1 
HETATM 1675 O  O   . HOH   P 7 .   ? 46.640 10.124  37.058 1.00 27.58 ? 447 HOH   A O   1 
HETATM 1676 O  O   . HOH   P 7 .   ? 9.023  -0.800  60.721 1.00 43.74 ? 448 HOH   A O   1 
HETATM 1677 O  O   . HOH   P 7 .   ? 24.514 14.543  51.658 1.00 30.14 ? 449 HOH   A O   1 
HETATM 1678 O  O   . HOH   P 7 .   ? 36.683 22.136  47.465 1.00 35.40 ? 450 HOH   A O   1 
HETATM 1679 O  O   . HOH   P 7 .   ? 32.391 11.150  49.591 1.00 32.70 ? 451 HOH   A O   1 
HETATM 1680 O  O   . HOH   P 7 .   ? 41.202 11.351  41.907 0.53 21.48 ? 452 HOH   A O   1 
HETATM 1681 O  O   . HOH   P 7 .   ? 12.136 8.770   38.741 1.00 31.02 ? 453 HOH   A O   1 
HETATM 1682 O  O   . HOH   P 7 .   ? 8.882  -3.740  58.516 1.00 33.83 ? 454 HOH   A O   1 
HETATM 1683 O  O   . HOH   P 7 .   ? 39.209 11.080  47.197 1.00 40.75 ? 455 HOH   A O   1 
HETATM 1684 O  O   . HOH   P 7 .   ? 51.379 7.764   37.158 1.00 37.52 ? 456 HOH   A O   1 
HETATM 1685 O  O   . HOH   P 7 .   ? 43.706 22.665  20.802 1.00 10.32 ? 457 HOH   A O   1 
HETATM 1686 O  O   . HOH   P 7 .   ? 32.896 29.998  33.435 0.71 24.83 ? 458 HOH   A O   1 
HETATM 1687 O  O   . HOH   P 7 .   ? 20.326 24.421  33.614 1.00 26.25 ? 459 HOH   A O   1 
HETATM 1688 O  O   . HOH   P 7 .   ? 5.807  9.577   57.504 0.78 33.41 ? 460 HOH   A O   1 
HETATM 1689 O  O   . HOH   P 7 .   ? 28.699 11.129  34.569 1.00 30.00 ? 461 HOH   A O   1 
HETATM 1690 O  O   . HOH   P 7 .   ? 32.235 25.589  45.119 1.00 17.03 ? 462 HOH   A O   1 
HETATM 1691 O  O   . HOH   P 7 .   ? 52.829 13.341  24.796 1.00 29.22 ? 463 HOH   A O   1 
HETATM 1692 O  O   . HOH   P 7 .   ? 44.976 33.408  33.338 1.00 40.59 ? 464 HOH   A O   1 
HETATM 1693 O  O   . HOH   P 7 .   ? 34.214 14.738  24.853 1.00 32.02 ? 465 HOH   A O   1 
HETATM 1694 O  O   . HOH   P 7 .   ? 22.673 17.238  53.515 1.00 41.10 ? 466 HOH   A O   1 
HETATM 1695 O  O   . HOH   P 7 .   ? 37.149 1.312   50.552 1.00 27.80 ? 467 HOH   A O   1 
HETATM 1696 O  O   . HOH   P 7 .   ? 53.442 15.102  17.559 1.00 29.12 ? 468 HOH   A O   1 
HETATM 1697 O  O   . HOH   P 7 .   ? 30.753 16.991  48.819 1.00 24.92 ? 469 HOH   A O   1 
HETATM 1698 O  O   . HOH   P 7 .   ? 43.609 4.152   44.714 1.00 29.29 ? 470 HOH   A O   1 
HETATM 1699 O  O   . HOH   P 7 .   ? 47.839 13.060  36.117 1.00 25.90 ? 471 HOH   A O   1 
HETATM 1700 O  O   . HOH   P 7 .   ? 9.675  12.612  43.400 1.00 14.79 ? 472 HOH   A O   1 
HETATM 1701 O  O   . HOH   P 7 .   ? 14.088 4.604   38.074 0.80 25.37 ? 473 HOH   A O   1 
HETATM 1702 O  O   . HOH   P 7 .   ? 41.025 22.865  41.770 1.00 37.29 ? 474 HOH   A O   1 
HETATM 1703 O  O   . HOH   P 7 .   ? 48.832 14.833  34.154 1.00 21.79 ? 475 HOH   A O   1 
HETATM 1704 O  O   . HOH   P 7 .   ? 22.973 12.171  52.574 1.00 37.45 ? 476 HOH   A O   1 
HETATM 1705 O  O   . HOH   P 7 .   ? 44.937 11.177  38.756 1.00 27.73 ? 477 HOH   A O   1 
HETATM 1706 O  O   . HOH   P 7 .   ? 19.856 10.374  32.661 1.00 41.75 ? 478 HOH   A O   1 
HETATM 1707 O  O   . HOH   P 7 .   ? 25.636 8.242   53.539 1.00 21.13 ? 479 HOH   A O   1 
HETATM 1708 O  O   . HOH   P 7 .   ? 51.180 23.610  27.521 1.00 32.07 ? 480 HOH   A O   1 
HETATM 1709 O  O   . HOH   P 7 .   ? 41.335 27.565  41.025 1.00 31.82 ? 481 HOH   A O   1 
HETATM 1710 O  O   . HOH   P 7 .   ? 18.640 12.793  36.172 1.00 29.07 ? 482 HOH   A O   1 
HETATM 1711 O  O   . HOH   P 7 .   ? 33.787 16.864  48.485 1.00 30.49 ? 483 HOH   A O   1 
HETATM 1712 O  O   . HOH   P 7 .   ? 40.610 26.040  23.690 1.00 9.08  ? 484 HOH   A O   1 
HETATM 1713 O  O   . HOH   P 7 .   ? 45.335 0.005   45.334 0.14 21.98 ? 485 HOH   A O   1 
HETATM 1714 O  O   . HOH   P 7 .   ? 40.523 20.921  40.197 1.00 30.28 ? 486 HOH   A O   1 
HETATM 1715 O  O   . HOH   P 7 .   ? 26.425 -7.823  46.836 1.00 14.37 ? 487 HOH   A O   1 
HETATM 1716 O  O   . HOH   P 7 .   ? 9.093  12.076  56.278 1.00 37.05 ? 488 HOH   A O   1 
HETATM 1717 O  O   . HOH   P 7 .   ? 43.777 5.501   47.294 1.00 29.62 ? 489 HOH   A O   1 
HETATM 1718 O  O   . HOH   P 7 .   ? 37.878 31.835  30.596 1.00 26.09 ? 490 HOH   A O   1 
HETATM 1719 O  O   . HOH   P 7 .   ? 31.158 9.074   48.676 1.00 23.30 ? 491 HOH   A O   1 
HETATM 1720 O  O   . HOH   P 7 .   ? 47.984 27.475  29.677 1.00 30.87 ? 492 HOH   A O   1 
HETATM 1721 O  O   . HOH   P 7 .   ? 45.235 28.605  39.129 1.00 37.06 ? 493 HOH   A O   1 
HETATM 1722 O  O   . HOH   P 7 .   ? 19.743 -3.733  55.915 1.00 30.27 ? 494 HOH   A O   1 
HETATM 1723 O  O   . HOH   P 7 .   ? 43.786 9.876   40.936 1.00 30.14 ? 495 HOH   A O   1 
HETATM 1724 O  O   . HOH   P 7 .   ? 14.649 3.203   57.502 1.00 32.30 ? 496 HOH   A O   1 
HETATM 1725 O  O   . HOH   P 7 .   ? 40.333 29.820  41.786 1.00 36.52 ? 497 HOH   A O   1 
HETATM 1726 O  O   . HOH   P 7 .   ? 34.819 22.376  49.177 1.00 46.93 ? 498 HOH   A O   1 
HETATM 1727 O  O   . HOH   P 7 .   ? 34.361 14.789  17.820 1.00 30.07 ? 499 HOH   A O   1 
HETATM 1728 O  O   . HOH   P 7 .   ? 35.494 30.558  39.729 1.00 27.00 ? 500 HOH   A O   1 
HETATM 1729 O  O   . HOH   P 7 .   ? 14.814 -8.499  54.634 1.00 41.54 ? 501 HOH   A O   1 
HETATM 1730 O  O   . HOH   P 7 .   ? 52.355 21.306  13.790 1.00 41.60 ? 502 HOH   A O   1 
HETATM 1731 O  O   . HOH   P 7 .   ? 13.744 8.608   57.176 1.00 31.01 ? 503 HOH   A O   1 
HETATM 1732 O  O   . HOH   P 7 .   ? 32.906 7.132   47.454 1.00 33.83 ? 504 HOH   A O   1 
HETATM 1733 O  O   . HOH   P 7 .   ? 44.739 8.286   42.761 1.00 34.35 ? 505 HOH   A O   1 
HETATM 1734 O  O   . HOH   P 7 .   ? 38.731 26.352  43.947 1.00 32.44 ? 506 HOH   A O   1 
HETATM 1735 O  O   . HOH   P 7 .   ? 36.099 6.095   50.636 1.00 38.90 ? 507 HOH   A O   1 
HETATM 1736 O  O   . HOH   P 7 .   ? 30.770 30.939  35.431 1.00 31.39 ? 508 HOH   A O   1 
HETATM 1737 O  O   . HOH   P 7 .   ? 23.095 -11.570 56.279 1.00 35.78 ? 509 HOH   A O   1 
HETATM 1738 O  O   . HOH   P 7 .   ? 24.530 10.519  54.757 1.00 26.66 ? 510 HOH   A O   1 
HETATM 1739 O  O   . HOH   P 7 .   ? 28.387 7.662   52.414 1.00 22.92 ? 511 HOH   A O   1 
HETATM 1740 O  O   . HOH   P 7 .   ? 48.736 19.832  39.200 1.00 30.34 ? 512 HOH   A O   1 
HETATM 1741 O  O   . HOH   P 7 .   ? 29.844 -10.262 52.126 1.00 35.80 ? 513 HOH   A O   1 
HETATM 1742 O  O   . HOH   P 7 .   ? 43.648 35.506  32.963 1.00 49.26 ? 514 HOH   A O   1 
HETATM 1743 O  O   . HOH   P 7 .   ? 37.470 0.003   53.197 0.5  34.26 ? 515 HOH   A O   1 
HETATM 1744 O  O   . HOH   P 7 .   ? 17.487 0.985   59.031 1.00 41.39 ? 516 HOH   A O   1 
HETATM 1745 O  O   . HOH   P 7 .   ? 27.689 15.215  51.672 1.00 23.71 ? 517 HOH   A O   1 
HETATM 1746 O  O   . HOH   P 7 .   ? 28.042 17.837  51.949 1.00 40.59 ? 518 HOH   A O   1 
HETATM 1747 O  O   . HOH   P 7 .   ? 52.001 12.586  31.275 1.00 24.60 ? 519 HOH   A O   1 
HETATM 1748 O  O   . HOH   P 7 .   ? 53.059 13.649  28.944 1.00 28.66 ? 520 HOH   A O   1 
HETATM 1749 O  O   . HOH   P 7 .   ? 16.344 -2.768  58.100 1.00 33.98 ? 521 HOH   A O   1 
HETATM 1750 O  O   . HOH   P 7 .   ? 46.124 33.763  29.241 1.00 38.57 ? 522 HOH   A O   1 
HETATM 1751 O  O   . HOH   P 7 .   ? 34.923 28.002  43.663 1.00 25.75 ? 523 HOH   A O   1 
HETATM 1752 O  O   . HOH   P 7 .   ? 38.706 29.291  43.694 1.00 37.35 ? 524 HOH   A O   1 
HETATM 1753 O  O   . HOH   P 7 .   ? 42.974 36.107  29.986 1.00 27.87 ? 525 HOH   A O   1 
HETATM 1754 O  O   . HOH   P 7 .   ? 14.460 5.612   58.885 1.00 34.45 ? 526 HOH   A O   1 
HETATM 1755 O  O   . HOH   P 7 .   ? 28.536 13.752  54.079 1.00 35.56 ? 527 HOH   A O   1 
HETATM 1756 O  O   . HOH   P 7 .   ? 30.064 9.049   53.898 1.00 37.45 ? 528 HOH   A O   1 
HETATM 1757 O  O   . HOH   P 7 .   ? 53.454 12.302  33.376 1.00 41.81 ? 529 HOH   A O   1 
# 
