data_9KP5
# 
_entry.id   9KP5 
# 
_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   9KP5         pdb_00009kp5 10.2210/pdb9kp5/pdb 
WWPDB D_1300053949 ?            ?                   
# 
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                        9KP5 
_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           Y 
# 
_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' 19880.469 1   ? E56F/R59F ? ? 
2 non-polymer syn 'CADMIUM ION'          112.411   7   ? ?         ? ? 
3 non-polymer syn 'SULFATE ION'          96.063    2   ? ?         ? ? 
4 non-polymer syn 'CHLORIDE ION'         35.453    1   ? ?         ? ? 
5 non-polymer syn 1,2-ETHANEDIOL         62.068    3   ? ?         ? ? 
6 water       nat water                  18.015    203 ? ?         ? ? 
# 
_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       
;SSQIRQNYSTEVEAAVNRLVNLYLRASYTYLSLGFYFDRDDVALEGVCHFFRELAFEKFEGAERLLKMQNQRGGRALFQD
LQKPSQDEWGTTLDAMKAAIVLEKSLNQALLDLHALGSAQADPHLCDFLESHFLDEEVKLIKKMGDHLTNIQRLVGSQAG
LGEYLFERLTLKHD
;
_entity_poly.pdbx_seq_one_letter_code_can   
;SSQIRQNYSTEVEAAVNRLVNLYLRASYTYLSLGFYFDRDDVALEGVCHFFRELAFEKFEGAERLLKMQNQRGGRALFQD
LQKPSQDEWGTTLDAMKAAIVLEKSLNQALLDLHALGSAQADPHLCDFLESHFLDEEVKLIKKMGDHLTNIQRLVGSQAG
LGEYLFERLTLKHD
;
_entity_poly.pdbx_strand_id                 A 
_entity_poly.pdbx_target_identifier         ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
2 'CADMIUM ION'  CD  
3 'SULFATE ION'  SO4 
4 'CHLORIDE ION' CL  
5 1,2-ETHANEDIOL EDO 
6 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  PHE 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 
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  PHE 56  56  56  PHE PHE 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 174 174 174 ASP ASP A . n 
# 
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 2 CD  1   207 7   CD  CD  A . 
I 3 SO4 1   208 1   SO4 SO4 A . 
J 3 SO4 1   209 2   SO4 SO4 A . 
K 4 CL  1   210 1   CL  CL  A . 
L 5 EDO 1   211 201 EDO EDO A . 
M 5 EDO 1   212 501 EDO EDO A . 
N 5 EDO 1   213 801 EDO EDO A . 
O 6 HOH 1   301 199 HOH HOH A . 
O 6 HOH 2   302 200 HOH HOH A . 
O 6 HOH 3   303 44  HOH HOH A . 
O 6 HOH 4   304 212 HOH HOH A . 
O 6 HOH 5   305 233 HOH HOH A . 
O 6 HOH 6   306 226 HOH HOH A . 
O 6 HOH 7   307 57  HOH HOH A . 
O 6 HOH 8   308 157 HOH HOH A . 
O 6 HOH 9   309 202 HOH HOH A . 
O 6 HOH 10  310 219 HOH HOH A . 
O 6 HOH 11  311 41  HOH HOH A . 
O 6 HOH 12  312 207 HOH HOH A . 
O 6 HOH 13  313 216 HOH HOH A . 
O 6 HOH 14  314 131 HOH HOH A . 
O 6 HOH 15  315 2   HOH HOH A . 
O 6 HOH 16  316 145 HOH HOH A . 
O 6 HOH 17  317 97  HOH HOH A . 
O 6 HOH 18  318 53  HOH HOH A . 
O 6 HOH 19  319 83  HOH HOH A . 
O 6 HOH 20  320 105 HOH HOH A . 
O 6 HOH 21  321 13  HOH HOH A . 
O 6 HOH 22  322 221 HOH HOH A . 
O 6 HOH 23  323 93  HOH HOH A . 
O 6 HOH 24  324 51  HOH HOH A . 
O 6 HOH 25  325 11  HOH HOH A . 
O 6 HOH 26  326 61  HOH HOH A . 
O 6 HOH 27  327 91  HOH HOH A . 
O 6 HOH 28  328 25  HOH HOH A . 
O 6 HOH 29  329 63  HOH HOH A . 
O 6 HOH 30  330 165 HOH HOH A . 
O 6 HOH 31  331 220 HOH HOH A . 
O 6 HOH 32  332 98  HOH HOH A . 
O 6 HOH 33  333 73  HOH HOH A . 
O 6 HOH 34  334 3   HOH HOH A . 
O 6 HOH 35  335 15  HOH HOH A . 
O 6 HOH 36  336 9   HOH HOH A . 
O 6 HOH 37  337 56  HOH HOH A . 
O 6 HOH 38  338 96  HOH HOH A . 
O 6 HOH 39  339 48  HOH HOH A . 
O 6 HOH 40  340 82  HOH HOH A . 
O 6 HOH 41  341 67  HOH HOH A . 
O 6 HOH 42  342 129 HOH HOH A . 
O 6 HOH 43  343 75  HOH HOH A . 
O 6 HOH 44  344 8   HOH HOH A . 
O 6 HOH 45  345 137 HOH HOH A . 
O 6 HOH 46  346 135 HOH HOH A . 
O 6 HOH 47  347 31  HOH HOH A . 
O 6 HOH 48  348 119 HOH HOH A . 
O 6 HOH 49  349 18  HOH HOH A . 
O 6 HOH 50  350 122 HOH HOH A . 
O 6 HOH 51  351 26  HOH HOH A . 
O 6 HOH 52  352 112 HOH HOH A . 
O 6 HOH 53  353 86  HOH HOH A . 
O 6 HOH 54  354 28  HOH HOH A . 
O 6 HOH 55  355 173 HOH HOH A . 
O 6 HOH 56  356 222 HOH HOH A . 
O 6 HOH 57  357 54  HOH HOH A . 
O 6 HOH 58  358 68  HOH HOH A . 
O 6 HOH 59  359 66  HOH HOH A . 
O 6 HOH 60  360 22  HOH HOH A . 
O 6 HOH 61  361 103 HOH HOH A . 
O 6 HOH 62  362 29  HOH HOH A . 
O 6 HOH 63  363 47  HOH HOH A . 
O 6 HOH 64  364 6   HOH HOH A . 
O 6 HOH 65  365 37  HOH HOH A . 
O 6 HOH 66  366 88  HOH HOH A . 
O 6 HOH 67  367 21  HOH HOH A . 
O 6 HOH 68  368 84  HOH HOH A . 
O 6 HOH 69  369 59  HOH HOH A . 
O 6 HOH 70  370 19  HOH HOH A . 
O 6 HOH 71  371 42  HOH HOH A . 
O 6 HOH 72  372 197 HOH HOH A . 
O 6 HOH 73  373 43  HOH HOH A . 
O 6 HOH 74  374 35  HOH HOH A . 
O 6 HOH 75  375 215 HOH HOH A . 
O 6 HOH 76  376 36  HOH HOH A . 
O 6 HOH 77  377 94  HOH HOH A . 
O 6 HOH 78  378 5   HOH HOH A . 
O 6 HOH 79  379 85  HOH HOH A . 
O 6 HOH 80  380 64  HOH HOH A . 
O 6 HOH 81  381 198 HOH HOH A . 
O 6 HOH 82  382 214 HOH HOH A . 
O 6 HOH 83  383 32  HOH HOH A . 
O 6 HOH 84  384 120 HOH HOH A . 
O 6 HOH 85  385 40  HOH HOH A . 
O 6 HOH 86  386 72  HOH HOH A . 
O 6 HOH 87  387 34  HOH HOH A . 
O 6 HOH 88  388 128 HOH HOH A . 
O 6 HOH 89  389 50  HOH HOH A . 
O 6 HOH 90  390 144 HOH HOH A . 
O 6 HOH 91  391 16  HOH HOH A . 
O 6 HOH 92  392 55  HOH HOH A . 
O 6 HOH 93  393 20  HOH HOH A . 
O 6 HOH 94  394 205 HOH HOH A . 
O 6 HOH 95  395 124 HOH HOH A . 
O 6 HOH 96  396 115 HOH HOH A . 
O 6 HOH 97  397 217 HOH HOH A . 
O 6 HOH 98  398 114 HOH HOH A . 
O 6 HOH 99  399 203 HOH HOH A . 
O 6 HOH 100 400 60  HOH HOH A . 
O 6 HOH 101 401 123 HOH HOH A . 
O 6 HOH 102 402 49  HOH HOH A . 
O 6 HOH 103 403 65  HOH HOH A . 
O 6 HOH 104 404 90  HOH HOH A . 
O 6 HOH 105 405 168 HOH HOH A . 
O 6 HOH 106 406 211 HOH HOH A . 
O 6 HOH 107 407 39  HOH HOH A . 
O 6 HOH 108 408 14  HOH HOH A . 
O 6 HOH 109 409 46  HOH HOH A . 
O 6 HOH 110 410 181 HOH HOH A . 
O 6 HOH 111 411 150 HOH HOH A . 
O 6 HOH 112 412 7   HOH HOH A . 
O 6 HOH 113 413 185 HOH HOH A . 
O 6 HOH 114 414 186 HOH HOH A . 
O 6 HOH 115 415 70  HOH HOH A . 
O 6 HOH 116 416 92  HOH HOH A . 
O 6 HOH 117 417 236 HOH HOH A . 
O 6 HOH 118 418 234 HOH HOH A . 
O 6 HOH 119 419 52  HOH HOH A . 
O 6 HOH 120 420 117 HOH HOH A . 
O 6 HOH 121 421 101 HOH HOH A . 
O 6 HOH 122 422 17  HOH HOH A . 
O 6 HOH 123 423 111 HOH HOH A . 
O 6 HOH 124 424 30  HOH HOH A . 
O 6 HOH 125 425 159 HOH HOH A . 
O 6 HOH 126 426 149 HOH HOH A . 
O 6 HOH 127 427 79  HOH HOH A . 
O 6 HOH 128 428 229 HOH HOH A . 
O 6 HOH 129 429 195 HOH HOH A . 
O 6 HOH 130 430 58  HOH HOH A . 
O 6 HOH 131 431 237 HOH HOH A . 
O 6 HOH 132 432 196 HOH HOH A . 
O 6 HOH 133 433 209 HOH HOH A . 
O 6 HOH 134 434 206 HOH HOH A . 
O 6 HOH 135 435 162 HOH HOH A . 
O 6 HOH 136 436 158 HOH HOH A . 
O 6 HOH 137 437 235 HOH HOH A . 
O 6 HOH 138 438 89  HOH HOH A . 
O 6 HOH 139 439 78  HOH HOH A . 
O 6 HOH 140 440 143 HOH HOH A . 
O 6 HOH 141 441 228 HOH HOH A . 
O 6 HOH 142 442 156 HOH HOH A . 
O 6 HOH 143 443 80  HOH HOH A . 
O 6 HOH 144 444 104 HOH HOH A . 
O 6 HOH 145 445 71  HOH HOH A . 
O 6 HOH 146 446 147 HOH HOH A . 
O 6 HOH 147 447 227 HOH HOH A . 
O 6 HOH 148 448 77  HOH HOH A . 
O 6 HOH 149 449 74  HOH HOH A . 
O 6 HOH 150 450 81  HOH HOH A . 
O 6 HOH 151 451 204 HOH HOH A . 
O 6 HOH 152 452 153 HOH HOH A . 
O 6 HOH 153 453 102 HOH HOH A . 
O 6 HOH 154 454 118 HOH HOH A . 
O 6 HOH 155 455 166 HOH HOH A . 
O 6 HOH 156 456 231 HOH HOH A . 
O 6 HOH 157 457 10  HOH HOH A . 
O 6 HOH 158 458 184 HOH HOH A . 
O 6 HOH 159 459 107 HOH HOH A . 
O 6 HOH 160 460 121 HOH HOH A . 
O 6 HOH 161 461 174 HOH HOH A . 
O 6 HOH 162 462 213 HOH HOH A . 
O 6 HOH 163 463 182 HOH HOH A . 
O 6 HOH 164 464 171 HOH HOH A . 
O 6 HOH 165 465 180 HOH HOH A . 
O 6 HOH 166 466 152 HOH HOH A . 
O 6 HOH 167 467 113 HOH HOH A . 
O 6 HOH 168 468 138 HOH HOH A . 
O 6 HOH 169 469 163 HOH HOH A . 
O 6 HOH 170 470 167 HOH HOH A . 
O 6 HOH 171 471 130 HOH HOH A . 
O 6 HOH 172 472 183 HOH HOH A . 
O 6 HOH 173 473 69  HOH HOH A . 
O 6 HOH 174 474 201 HOH HOH A . 
O 6 HOH 175 475 170 HOH HOH A . 
O 6 HOH 176 476 192 HOH HOH A . 
O 6 HOH 177 477 148 HOH HOH A . 
O 6 HOH 178 478 100 HOH HOH A . 
O 6 HOH 179 479 224 HOH HOH A . 
O 6 HOH 180 480 176 HOH HOH A . 
O 6 HOH 181 481 210 HOH HOH A . 
O 6 HOH 182 482 225 HOH HOH A . 
O 6 HOH 183 483 99  HOH HOH A . 
O 6 HOH 184 484 151 HOH HOH A . 
O 6 HOH 185 485 172 HOH HOH A . 
O 6 HOH 186 486 76  HOH HOH A . 
O 6 HOH 187 487 116 HOH HOH A . 
O 6 HOH 188 488 179 HOH HOH A . 
O 6 HOH 189 489 109 HOH HOH A . 
O 6 HOH 190 490 160 HOH HOH A . 
O 6 HOH 191 491 125 HOH HOH A . 
O 6 HOH 192 492 142 HOH HOH A . 
O 6 HOH 193 493 164 HOH HOH A . 
O 6 HOH 194 494 169 HOH HOH A . 
O 6 HOH 195 495 155 HOH HOH A . 
O 6 HOH 196 496 177 HOH HOH A . 
O 6 HOH 197 497 154 HOH HOH A . 
O 6 HOH 198 498 218 HOH HOH A . 
O 6 HOH 199 499 208 HOH HOH A . 
O 6 HOH 200 500 191 HOH HOH A . 
O 6 HOH 201 501 189 HOH HOH A . 
O 6 HOH 202 502 190 HOH HOH A . 
O 6 HOH 203 503 188 HOH HOH A . 
# 
loop_
_pdbx_unobs_or_zero_occ_atoms.id 
_pdbx_unobs_or_zero_occ_atoms.PDB_model_num 
_pdbx_unobs_or_zero_occ_atoms.polymer_flag 
_pdbx_unobs_or_zero_occ_atoms.occupancy_flag 
_pdbx_unobs_or_zero_occ_atoms.auth_asym_id 
_pdbx_unobs_or_zero_occ_atoms.auth_comp_id 
_pdbx_unobs_or_zero_occ_atoms.auth_seq_id 
_pdbx_unobs_or_zero_occ_atoms.PDB_ins_code 
_pdbx_unobs_or_zero_occ_atoms.auth_atom_id 
_pdbx_unobs_or_zero_occ_atoms.label_alt_id 
_pdbx_unobs_or_zero_occ_atoms.label_asym_id 
_pdbx_unobs_or_zero_occ_atoms.label_comp_id 
_pdbx_unobs_or_zero_occ_atoms.label_seq_id 
_pdbx_unobs_or_zero_occ_atoms.label_atom_id 
1  1 Y 1 A SER 1   ? CB  ? A SER 1   CB  
2  1 Y 1 A SER 1   ? OG  ? A SER 1   OG  
3  1 Y 1 A GLN 158 ? OE1 ? A GLN 158 OE1 
4  1 Y 1 A GLN 158 ? NE2 ? A GLN 158 NE2 
5  1 Y 1 A LYS 172 ? CG  ? A LYS 172 CG  
6  1 Y 1 A LYS 172 ? CD  ? A LYS 172 CD  
7  1 Y 1 A LYS 172 ? CE  ? A LYS 172 CE  
8  1 Y 1 A LYS 172 ? NZ  ? A LYS 172 NZ  
9  1 Y 1 A ASP 174 ? C   ? A ASP 174 C   
10 1 Y 1 A ASP 174 ? O   ? A ASP 174 O   
11 1 Y 1 A ASP 174 ? CB  ? A ASP 174 CB  
12 1 Y 1 A ASP 174 ? CG  ? A ASP 174 CG  
13 1 Y 1 A ASP 174 ? OD1 ? A ASP 174 OD1 
14 1 Y 1 A ASP 174 ? OD2 ? A ASP 174 OD2 
# 
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                     9KP5 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     180.928 
_cell.length_a_esd                 ? 
_cell.length_b                     180.928 
_cell.length_b_esd                 ? 
_cell.length_c                     180.928 
_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                         9KP5 
_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                   9KP5 
_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             3.10 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          60.36 
_exptl_crystal.description                  ? 
_exptl_crystal.F_000                        ? 
_exptl_crystal.id                           1 
_exptl_crystal.preparation                  ? 
_exptl_crystal.size_max                     ? 
_exptl_crystal.size_mid                     ? 
_exptl_crystal.size_min                     ? 
_exptl_crystal.size_rad                     ? 
_exptl_crystal.colour_lustre                ? 
_exptl_crystal.colour_modifier              ? 
_exptl_crystal.colour_primary               ? 
_exptl_crystal.density_meas                 ? 
_exptl_crystal.density_meas_esd             ? 
_exptl_crystal.density_meas_gt              ? 
_exptl_crystal.density_meas_lt              ? 
_exptl_crystal.density_meas_temp            ? 
_exptl_crystal.density_meas_temp_esd        ? 
_exptl_crystal.density_meas_temp_gt         ? 
_exptl_crystal.density_meas_temp_lt         ? 
_exptl_crystal.pdbx_crystal_image_url       ? 
_exptl_crystal.pdbx_crystal_image_format    ? 
_exptl_crystal.pdbx_mosaicity               ? 
_exptl_crystal.pdbx_mosaicity_esd           ? 
_exptl_crystal.pdbx_mosaic_method           ? 
_exptl_crystal.pdbx_mosaic_block_size       ? 
_exptl_crystal.pdbx_mosaic_block_size_esd   ? 
# 
_exptl_crystal_grow.apparatus       ? 
_exptl_crystal_grow.atmosphere      ? 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.details         ? 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, HANGING DROP' 
_exptl_crystal_grow.method_ref      ? 
_exptl_crystal_grow.pH              8.0 
_exptl_crystal_grow.pressure        ? 
_exptl_crystal_grow.pressure_esd    ? 
_exptl_crystal_grow.seeding         ? 
_exptl_crystal_grow.seeding_ref     ? 
_exptl_crystal_grow.temp_details    Incubation 
_exptl_crystal_grow.temp_esd        ? 
_exptl_crystal_grow.time            ? 
_exptl_crystal_grow.pdbx_details    'Ammonium sulfate, Cadmium sulfate' 
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            293 
# 
_diffrn.ambient_environment              ? 
_diffrn.ambient_temp                     93 
_diffrn.ambient_temp_details             'Liquid N2 vapour' 
_diffrn.ambient_temp_esd                 ? 
_diffrn.crystal_id                       1 
_diffrn.crystal_support                  ? 
_diffrn.crystal_treatment                ? 
_diffrn.details                          ? 
_diffrn.id                               1 
_diffrn.ambient_pressure                 ? 
_diffrn.ambient_pressure_esd             ? 
_diffrn.ambient_pressure_gt              ? 
_diffrn.ambient_pressure_lt              ? 
_diffrn.ambient_temp_gt                  ? 
_diffrn.ambient_temp_lt                  ? 
_diffrn.pdbx_serial_crystal_experiment   N 
# 
_diffrn_detector.details                      ? 
_diffrn_detector.detector                     PIXEL 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         'RIGAKU HyPix-6000HE' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2021-04-19 
_diffrn_detector.pdbx_frequency               ? 
_diffrn_detector.id                           ? 
_diffrn_detector.number_of_axes               ? 
# 
_diffrn_radiation.collimation                      ? 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.filter_edge                      ? 
_diffrn_radiation.inhomogeneity                    ? 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.polarisn_norm                    ? 
_diffrn_radiation.polarisn_ratio                   ? 
_diffrn_radiation.probe                            ? 
_diffrn_radiation.type                             ? 
_diffrn_radiation.xray_symbol                      ? 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   M 
_diffrn_radiation.pdbx_wavelength_list             ? 
_diffrn_radiation.pdbx_wavelength                  ? 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_analyzer                    ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   1.54184 
_diffrn_radiation_wavelength.wt           1.0 
# 
_diffrn_source.current                     ? 
_diffrn_source.details                     ? 
_diffrn_source.diffrn_id                   1 
_diffrn_source.power                       ? 
_diffrn_source.size                        ? 
_diffrn_source.source                      'ROTATING ANODE' 
_diffrn_source.target                      ? 
_diffrn_source.type                        'RIGAKU FR-E DW' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        1.54184 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   ? 
_diffrn_source.pdbx_synchrotron_site       ? 
# 
_reflns.B_iso_Wilson_estimate                          ? 
_reflns.entry_id                                       9KP5 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.50 
_reflns.d_resolution_low                               18.97 
_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                                     41041 
_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                                10.2 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          33.2 
_reflns.pdbx_res_netI_over_av_sigmaI_2                 ? 
_reflns.pdbx_res_netI_over_sigmaI_2                    ? 
_reflns.pdbx_chi_squared                               0.97 
_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                                0.053 
_reflns.pdbx_Rpim_I_all                                0.016 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       ? 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   1.000 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              0.051 
_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                           4.9 
_reflns_shell.number_measured_all                           ? 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             1999 
_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                               6.8 
_reflns_shell.pdbx_chi_squared                              0.92 
_reflns_shell.pdbx_netI_over_sigmaI_all                     ? 
_reflns_shell.pdbx_netI_over_sigmaI_obs                     ? 
_reflns_shell.pdbx_Rrim_I_all                               0.388 
_reflns_shell.pdbx_Rpim_I_all                               0.148 
_reflns_shell.pdbx_rejects                                  ? 
_reflns_shell.pdbx_ordinal                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  0.948 
_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                                  0.359 
_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                                 9KP5 
_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                             18.97 
_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                     40995 
_refine.ls_number_reflns_R_free                  2078 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.90 
_refine.ls_percent_reflns_R_free                 5.07 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.1787 
_refine.ls_R_factor_R_free                       0.1884 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.1782 
_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                          1.33 
_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                 18.11 
_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                            0.11 
_refine.overall_SU_R_Cruickshank_DPI             ? 
_refine.overall_SU_R_free                        ? 
_refine.overall_FOM_free_R_set                   ? 
_refine.overall_FOM_work_R_set                   ? 
_refine.pdbx_average_fsc_overall                 ? 
_refine.pdbx_average_fsc_work                    ? 
_refine.pdbx_average_fsc_free                    ? 
# 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.cycle_id                         LAST 
_refine_hist.details                          ? 
_refine_hist.d_res_high                       1.50 
_refine_hist.d_res_low                        18.97 
_refine_hist.number_atoms_solvent             203 
_refine_hist.number_atoms_total               1618 
_refine_hist.number_reflns_all                ? 
_refine_hist.number_reflns_obs                ? 
_refine_hist.number_reflns_R_free             ? 
_refine_hist.number_reflns_R_work             ? 
_refine_hist.R_factor_all                     ? 
_refine_hist.R_factor_obs                     ? 
_refine_hist.R_factor_R_free                  ? 
_refine_hist.R_factor_R_work                  ? 
_refine_hist.pdbx_number_residues_total       ? 
_refine_hist.pdbx_B_iso_mean_ligand           ? 
_refine_hist.pdbx_B_iso_mean_solvent          ? 
_refine_hist.pdbx_number_atoms_protein        1385 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         30 
_refine_hist.pdbx_number_atoms_lipid          ? 
_refine_hist.pdbx_number_atoms_carb           ? 
_refine_hist.pdbx_pseudo_atom_details         ? 
# 
loop_
_refine_ls_restr.pdbx_refine_id 
_refine_ls_restr.criterion 
_refine_ls_restr.dev_ideal 
_refine_ls_restr.dev_ideal_target 
_refine_ls_restr.number 
_refine_ls_restr.rejects 
_refine_ls_restr.type 
_refine_ls_restr.weight 
_refine_ls_restr.pdbx_restraint_function 
'X-RAY DIFFRACTION' ? 0.016  ? 1528 ? f_bond_d           ? ? 
'X-RAY DIFFRACTION' ? 1.689  ? 2072 ? f_angle_d          ? ? 
'X-RAY DIFFRACTION' ? 14.259 ? 581  ? f_dihedral_angle_d ? ? 
'X-RAY DIFFRACTION' ? 0.104  ? 225  ? 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 1.53  . . 141 2536 100.00 . . . . 0.1944 . . . . . . . . . . . 0.2181 
'X-RAY DIFFRACTION' 1.54 1.57  . . 106 2571 100.00 . . . . 0.1907 . . . . . . . . . . . 0.2158 
'X-RAY DIFFRACTION' 1.57 1.62  . . 148 2536 100.00 . . . . 0.1869 . . . . . . . . . . . 0.2026 
'X-RAY DIFFRACTION' 1.62 1.66  . . 135 2556 100.00 . . . . 0.1854 . . . . . . . . . . . 0.2113 
'X-RAY DIFFRACTION' 1.66 1.72  . . 139 2538 100.00 . . . . 0.1814 . . . . . . . . . . . 0.2208 
'X-RAY DIFFRACTION' 1.72 1.78  . . 124 2571 100.00 . . . . 0.1828 . . . . . . . . . . . 0.1794 
'X-RAY DIFFRACTION' 1.78 1.85  . . 135 2584 100.00 . . . . 0.1782 . . . . . . . . . . . 0.1847 
'X-RAY DIFFRACTION' 1.85 1.93  . . 128 2562 100.00 . . . . 0.1792 . . . . . . . . . . . 0.2099 
'X-RAY DIFFRACTION' 1.93 2.04  . . 124 2588 100.00 . . . . 0.1822 . . . . . . . . . . . 0.1861 
'X-RAY DIFFRACTION' 2.04 2.16  . . 149 2564 100.00 . . . . 0.1712 . . . . . . . . . . . 0.1952 
'X-RAY DIFFRACTION' 2.16 2.33  . . 130 2614 100.00 . . . . 0.1644 . . . . . . . . . . . 0.1761 
'X-RAY DIFFRACTION' 2.33 2.56  . . 144 2590 100.00 . . . . 0.1707 . . . . . . . . . . . 0.1837 
'X-RAY DIFFRACTION' 2.56 2.93  . . 150 2619 100.00 . . . . 0.1746 . . . . . . . . . . . 0.1739 
'X-RAY DIFFRACTION' 2.93 3.69  . . 153 2679 100.00 . . . . 0.1740 . . . . . . . . . . . 0.1961 
'X-RAY DIFFRACTION' 3.69 18.97 . . 172 2809 100.00 . . . . 0.1852 . . . . . . . . . . . 0.1706 
# 
_struct.entry_id                     9KP5 
_struct.title                        'Crystal structure of Horse spleen L-ferritin mutant (E56F/R59F)' 
_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        9KP5 
_struct_keywords.text            '24mer cage, Phenyl Alanine mutant, 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 2 ? 
I N N 3 ? 
J N N 3 ? 
K N N 4 ? 
L N N 5 ? 
M N N 5 ? 
N N N 5 ? 
O N N 6 ? 
# 
_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              9KP5 
_struct_ref_seq.pdbx_strand_id                A 
_struct_ref_seq.seq_align_beg                 1 
_struct_ref_seq.pdbx_seq_align_beg_ins_code   ? 
_struct_ref_seq.seq_align_end                 174 
_struct_ref_seq.pdbx_seq_align_end_ins_code   ? 
_struct_ref_seq.pdbx_db_accession             P02791 
_struct_ref_seq.db_align_beg                  2 
_struct_ref_seq.pdbx_db_align_beg_ins_code    ? 
_struct_ref_seq.db_align_end                  175 
_struct_ref_seq.pdbx_db_align_end_ins_code    ? 
_struct_ref_seq.pdbx_auth_seq_align_beg       1 
_struct_ref_seq.pdbx_auth_seq_align_end       174 
# 
loop_
_struct_ref_seq_dif.align_id 
_struct_ref_seq_dif.pdbx_pdb_id_code 
_struct_ref_seq_dif.mon_id 
_struct_ref_seq_dif.pdbx_pdb_strand_id 
_struct_ref_seq_dif.seq_num 
_struct_ref_seq_dif.pdbx_pdb_ins_code 
_struct_ref_seq_dif.pdbx_seq_db_name 
_struct_ref_seq_dif.pdbx_seq_db_accession_code 
_struct_ref_seq_dif.db_mon_id 
_struct_ref_seq_dif.pdbx_seq_db_seq_num 
_struct_ref_seq_dif.details 
_struct_ref_seq_dif.pdbx_auth_seq_num 
_struct_ref_seq_dif.pdbx_ordinal 
1 9KP5 PHE A 56 ? UNP P02791 GLU 57 'engineered mutation' 56 1 
1 9KP5 PHE A 59 ? UNP P02791 ARG 60 'engineered mutation' 59 2 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_and_software_defined_assembly 
_pdbx_struct_assembly.method_details       PISA 
_pdbx_struct_assembly.oligomeric_details   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)' 116610 ? 
1 MORE         -647   ? 
1 'SSA (A^2)'  140080 ? 
# 
_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 
# 
_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 CYS 48  SG  ? ? ? 1_555 B CD . CD ? ? A CYS 48  A CD 201 1_555  ? ? ? ? ? ? ? 2.651 ? ? 
metalc2  metalc ? ? A GLU 60  OE1 ? ? ? 1_555 H CD . CD ? ? A GLU 60  A CD 207 1_555  ? ? ? ? ? ? ? 2.406 ? ? 
metalc3  metalc ? ? A GLU 60  OE2 ? ? ? 1_555 H CD . CD ? ? A GLU 60  A CD 207 1_555  ? ? ? ? ? ? ? 2.595 ? ? 
metalc4  metalc ? ? A GLU 63  OE1 ? ? ? 1_555 H CD . CD ? ? A GLU 63  A CD 207 1_555  ? ? ? ? ? ? ? 2.308 ? ? 
metalc5  metalc ? ? A ASP 80  OD1 ? ? ? 1_555 C CD . CD ? ? A ASP 80  A CD 202 1_555  ? ? ? ? ? ? ? 2.281 ? ? 
metalc6  metalc ? ? A ASP 80  OD2 ? ? ? 1_555 C CD . CD ? ? A ASP 80  A CD 202 1_555  ? ? ? ? ? ? ? 2.323 ? ? 
metalc7  metalc ? ? A ASP 80  OD1 ? ? ? 1_555 C CD . CD ? ? A ASP 80  A CD 202 72_555 ? ? ? ? ? ? ? 2.282 ? ? 
metalc8  metalc ? ? A ASP 80  OD2 ? ? ? 1_555 C CD . CD ? ? A ASP 80  A CD 202 72_555 ? ? ? ? ? ? ? 2.313 ? ? 
metalc9  metalc ? ? A GLU 130 OE1 ? ? ? 1_555 E CD . CD ? ? A GLU 130 A CD 204 1_555  ? ? ? ? ? ? ? 2.312 ? ? 
metalc10 metalc ? ? A GLU 130 OE1 ? ? ? 1_555 E CD . CD ? ? A GLU 130 A CD 204 9_555  ? ? ? ? ? ? ? 2.320 ? ? 
metalc11 metalc ? ? A GLU 130 OE1 ? ? ? 1_555 F CD . CD ? ? A GLU 130 A CD 205 1_555  ? ? ? ? ? ? ? 2.598 ? ? 
metalc12 metalc ? ? A GLU 130 OE1 ? ? ? 1_555 F CD . CD ? ? A GLU 130 A CD 205 5_555  ? ? ? ? ? ? ? 2.461 ? ? 
metalc13 metalc ? ? A HIS 132 NE2 ? ? ? 1_555 G CD . CD ? ? A HIS 132 A CD 206 1_555  ? ? ? ? ? ? ? 2.238 ? ? 
# 
_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 ? A GLU 60  ? A GLU 60  ? 1_555 CD ? H CD . ? A CD 207 ? 1_555 OE2 ? A GLU 60  ? A GLU 60  ? 1_555 51.5  ? 
2  OE1 ? A GLU 60  ? A GLU 60  ? 1_555 CD ? H CD . ? A CD 207 ? 1_555 OE1 ? A GLU 63  ? A GLU 63  ? 1_555 101.3 ? 
3  OE2 ? A GLU 60  ? A GLU 60  ? 1_555 CD ? H CD . ? A CD 207 ? 1_555 OE1 ? A GLU 63  ? A GLU 63  ? 1_555 92.5  ? 
4  OD1 ? A ASP 80  ? A ASP 80  ? 1_555 CD ? C CD . ? A CD 202 ? 1_555 OD2 ? A ASP 80  ? A ASP 80  ? 1_555 56.1  ? 
5  OD1 ? A ASP 80  ? A ASP 80  ? 1_555 CD ? C CD . ? A CD 202 ? 1_555 OD1 ? A ASP 80  ? A ASP 80  ? 1_555 0.0   ? 
6  OD2 ? A ASP 80  ? A ASP 80  ? 1_555 CD ? C CD . ? A CD 202 ? 1_555 OD1 ? A ASP 80  ? A ASP 80  ? 1_555 56.1  ? 
7  OD1 ? A ASP 80  ? A ASP 80  ? 1_555 CD ? C CD . ? A CD 202 ? 1_555 OD2 ? A ASP 80  ? A ASP 80  ? 1_555 56.1  ? 
8  OD2 ? A ASP 80  ? A ASP 80  ? 1_555 CD ? C CD . ? A CD 202 ? 1_555 OD2 ? A ASP 80  ? A ASP 80  ? 1_555 0.0   ? 
9  OD1 ? A ASP 80  ? A ASP 80  ? 1_555 CD ? C CD . ? A CD 202 ? 1_555 OD2 ? A ASP 80  ? A ASP 80  ? 1_555 56.1  ? 
10 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   ? 
11 OE1 ? A GLU 130 ? A GLU 130 ? 1_555 CD ? F CD . ? A CD 205 ? 1_555 OE1 ? A GLU 130 ? A GLU 130 ? 1_555 0.0   ? 
# 
_pdbx_entry_details.entry_id                   9KP5 
_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     N 
_pdbx_entry_details.has_protein_modification   N 
# 
loop_
_pdbx_validate_close_contact.id 
_pdbx_validate_close_contact.PDB_model_num 
_pdbx_validate_close_contact.auth_atom_id_1 
_pdbx_validate_close_contact.auth_asym_id_1 
_pdbx_validate_close_contact.auth_comp_id_1 
_pdbx_validate_close_contact.auth_seq_id_1 
_pdbx_validate_close_contact.PDB_ins_code_1 
_pdbx_validate_close_contact.label_alt_id_1 
_pdbx_validate_close_contact.auth_atom_id_2 
_pdbx_validate_close_contact.auth_asym_id_2 
_pdbx_validate_close_contact.auth_comp_id_2 
_pdbx_validate_close_contact.auth_seq_id_2 
_pdbx_validate_close_contact.PDB_ins_code_2 
_pdbx_validate_close_contact.label_alt_id_2 
_pdbx_validate_close_contact.dist 
1 1 OE1 A GLN 71 ? B O A HOH 301 ? ? 2.08 
2 1 OE1 A GLN 71 ? B O A HOH 302 ? ? 2.12 
# 
loop_
_pdbx_validate_torsion.id 
_pdbx_validate_torsion.PDB_model_num 
_pdbx_validate_torsion.auth_comp_id 
_pdbx_validate_torsion.auth_asym_id 
_pdbx_validate_torsion.auth_seq_id 
_pdbx_validate_torsion.PDB_ins_code 
_pdbx_validate_torsion.label_alt_id 
_pdbx_validate_torsion.phi 
_pdbx_validate_torsion.psi 
1 1 VAL A 42  ? ? -126.18 -60.93 
2 1 PHE A 133 ? ? -131.43 -47.06 
# 
loop_
_pdbx_struct_special_symmetry.id 
_pdbx_struct_special_symmetry.PDB_model_num 
_pdbx_struct_special_symmetry.auth_asym_id 
_pdbx_struct_special_symmetry.auth_comp_id 
_pdbx_struct_special_symmetry.auth_seq_id 
_pdbx_struct_special_symmetry.PDB_ins_code 
_pdbx_struct_special_symmetry.label_asym_id 
_pdbx_struct_special_symmetry.label_comp_id 
_pdbx_struct_special_symmetry.label_seq_id 
1 1 A CD  202 ? C CD  . 
2 1 A CD  203 ? D CD  . 
3 1 A CD  204 ? E CD  . 
4 1 A HOH 487 ? O 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 499 ? 6.01 . 
2 1 O ? A HOH 500 ? 6.03 . 
3 1 O ? A HOH 501 ? 6.04 . 
4 1 O ? A HOH 502 ? 6.10 . 
5 1 O ? A HOH 503 ? 6.79 . 
# 
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 
ALA N    N  N N 1   
ALA CA   C  N S 2   
ALA C    C  N N 3   
ALA O    O  N N 4   
ALA CB   C  N N 5   
ALA OXT  O  N N 6   
ALA H    H  N N 7   
ALA H2   H  N N 8   
ALA HA   H  N N 9   
ALA HB1  H  N N 10  
ALA HB2  H  N N 11  
ALA HB3  H  N N 12  
ALA HXT  H  N N 13  
ARG N    N  N N 14  
ARG CA   C  N S 15  
ARG C    C  N N 16  
ARG O    O  N N 17  
ARG CB   C  N N 18  
ARG CG   C  N N 19  
ARG CD   C  N N 20  
ARG NE   N  N N 21  
ARG CZ   C  N N 22  
ARG NH1  N  N N 23  
ARG NH2  N  N N 24  
ARG OXT  O  N N 25  
ARG H    H  N N 26  
ARG H2   H  N N 27  
ARG HA   H  N N 28  
ARG HB2  H  N N 29  
ARG HB3  H  N N 30  
ARG HG2  H  N N 31  
ARG HG3  H  N N 32  
ARG HD2  H  N N 33  
ARG HD3  H  N N 34  
ARG HE   H  N N 35  
ARG HH11 H  N N 36  
ARG HH12 H  N N 37  
ARG HH21 H  N N 38  
ARG HH22 H  N N 39  
ARG HXT  H  N N 40  
ASN N    N  N N 41  
ASN CA   C  N S 42  
ASN C    C  N N 43  
ASN O    O  N N 44  
ASN CB   C  N N 45  
ASN CG   C  N N 46  
ASN OD1  O  N N 47  
ASN ND2  N  N N 48  
ASN OXT  O  N N 49  
ASN H    H  N N 50  
ASN H2   H  N N 51  
ASN HA   H  N N 52  
ASN HB2  H  N N 53  
ASN HB3  H  N N 54  
ASN HD21 H  N N 55  
ASN HD22 H  N N 56  
ASN HXT  H  N N 57  
ASP N    N  N N 58  
ASP CA   C  N S 59  
ASP C    C  N N 60  
ASP O    O  N N 61  
ASP CB   C  N N 62  
ASP CG   C  N N 63  
ASP OD1  O  N N 64  
ASP OD2  O  N N 65  
ASP OXT  O  N N 66  
ASP H    H  N N 67  
ASP H2   H  N N 68  
ASP HA   H  N N 69  
ASP HB2  H  N N 70  
ASP HB3  H  N N 71  
ASP HD2  H  N N 72  
ASP HXT  H  N N 73  
CD  CD   CD N N 74  
CL  CL   CL N N 75  
CYS N    N  N N 76  
CYS CA   C  N R 77  
CYS C    C  N N 78  
CYS O    O  N N 79  
CYS CB   C  N N 80  
CYS SG   S  N N 81  
CYS OXT  O  N N 82  
CYS H    H  N N 83  
CYS H2   H  N N 84  
CYS HA   H  N N 85  
CYS HB2  H  N N 86  
CYS HB3  H  N N 87  
CYS HG   H  N N 88  
CYS HXT  H  N N 89  
EDO C1   C  N N 90  
EDO O1   O  N N 91  
EDO C2   C  N N 92  
EDO O2   O  N N 93  
EDO H11  H  N N 94  
EDO H12  H  N N 95  
EDO HO1  H  N N 96  
EDO H21  H  N N 97  
EDO H22  H  N N 98  
EDO HO2  H  N N 99  
GLN N    N  N N 100 
GLN CA   C  N S 101 
GLN C    C  N N 102 
GLN O    O  N N 103 
GLN CB   C  N N 104 
GLN CG   C  N N 105 
GLN CD   C  N N 106 
GLN OE1  O  N N 107 
GLN NE2  N  N N 108 
GLN OXT  O  N N 109 
GLN H    H  N N 110 
GLN H2   H  N N 111 
GLN HA   H  N N 112 
GLN HB2  H  N N 113 
GLN HB3  H  N N 114 
GLN HG2  H  N N 115 
GLN HG3  H  N N 116 
GLN HE21 H  N N 117 
GLN HE22 H  N N 118 
GLN HXT  H  N N 119 
GLU N    N  N N 120 
GLU CA   C  N S 121 
GLU C    C  N N 122 
GLU O    O  N N 123 
GLU CB   C  N N 124 
GLU CG   C  N N 125 
GLU CD   C  N N 126 
GLU OE1  O  N N 127 
GLU OE2  O  N N 128 
GLU OXT  O  N N 129 
GLU H    H  N N 130 
GLU H2   H  N N 131 
GLU HA   H  N N 132 
GLU HB2  H  N N 133 
GLU HB3  H  N N 134 
GLU HG2  H  N N 135 
GLU HG3  H  N N 136 
GLU HE2  H  N N 137 
GLU HXT  H  N N 138 
GLY N    N  N N 139 
GLY CA   C  N N 140 
GLY C    C  N N 141 
GLY O    O  N N 142 
GLY OXT  O  N N 143 
GLY H    H  N N 144 
GLY H2   H  N N 145 
GLY HA2  H  N N 146 
GLY HA3  H  N N 147 
GLY HXT  H  N N 148 
HIS N    N  N N 149 
HIS CA   C  N S 150 
HIS C    C  N N 151 
HIS O    O  N N 152 
HIS CB   C  N N 153 
HIS CG   C  Y N 154 
HIS ND1  N  Y N 155 
HIS CD2  C  Y N 156 
HIS CE1  C  Y N 157 
HIS NE2  N  Y N 158 
HIS OXT  O  N N 159 
HIS H    H  N N 160 
HIS H2   H  N N 161 
HIS HA   H  N N 162 
HIS HB2  H  N N 163 
HIS HB3  H  N N 164 
HIS HD1  H  N N 165 
HIS HD2  H  N N 166 
HIS HE1  H  N N 167 
HIS HE2  H  N N 168 
HIS HXT  H  N N 169 
HOH O    O  N N 170 
HOH H1   H  N N 171 
HOH H2   H  N N 172 
ILE N    N  N N 173 
ILE CA   C  N S 174 
ILE C    C  N N 175 
ILE O    O  N N 176 
ILE CB   C  N S 177 
ILE CG1  C  N N 178 
ILE CG2  C  N N 179 
ILE CD1  C  N N 180 
ILE OXT  O  N N 181 
ILE H    H  N N 182 
ILE H2   H  N N 183 
ILE HA   H  N N 184 
ILE HB   H  N N 185 
ILE HG12 H  N N 186 
ILE HG13 H  N N 187 
ILE HG21 H  N N 188 
ILE HG22 H  N N 189 
ILE HG23 H  N N 190 
ILE HD11 H  N N 191 
ILE HD12 H  N N 192 
ILE HD13 H  N N 193 
ILE HXT  H  N N 194 
LEU N    N  N N 195 
LEU CA   C  N S 196 
LEU C    C  N N 197 
LEU O    O  N N 198 
LEU CB   C  N N 199 
LEU CG   C  N N 200 
LEU CD1  C  N N 201 
LEU CD2  C  N N 202 
LEU OXT  O  N N 203 
LEU H    H  N N 204 
LEU H2   H  N N 205 
LEU HA   H  N N 206 
LEU HB2  H  N N 207 
LEU HB3  H  N N 208 
LEU HG   H  N N 209 
LEU HD11 H  N N 210 
LEU HD12 H  N N 211 
LEU HD13 H  N N 212 
LEU HD21 H  N N 213 
LEU HD22 H  N N 214 
LEU HD23 H  N N 215 
LEU HXT  H  N N 216 
LYS N    N  N N 217 
LYS CA   C  N S 218 
LYS C    C  N N 219 
LYS O    O  N N 220 
LYS CB   C  N N 221 
LYS CG   C  N N 222 
LYS CD   C  N N 223 
LYS CE   C  N N 224 
LYS NZ   N  N N 225 
LYS OXT  O  N N 226 
LYS H    H  N N 227 
LYS H2   H  N N 228 
LYS HA   H  N N 229 
LYS HB2  H  N N 230 
LYS HB3  H  N N 231 
LYS HG2  H  N N 232 
LYS HG3  H  N N 233 
LYS HD2  H  N N 234 
LYS HD3  H  N N 235 
LYS HE2  H  N N 236 
LYS HE3  H  N N 237 
LYS HZ1  H  N N 238 
LYS HZ2  H  N N 239 
LYS HZ3  H  N N 240 
LYS HXT  H  N N 241 
MET N    N  N N 242 
MET CA   C  N S 243 
MET C    C  N N 244 
MET O    O  N N 245 
MET CB   C  N N 246 
MET CG   C  N N 247 
MET SD   S  N N 248 
MET CE   C  N N 249 
MET OXT  O  N N 250 
MET H    H  N N 251 
MET H2   H  N N 252 
MET HA   H  N N 253 
MET HB2  H  N N 254 
MET HB3  H  N N 255 
MET HG2  H  N N 256 
MET HG3  H  N N 257 
MET HE1  H  N N 258 
MET HE2  H  N N 259 
MET HE3  H  N N 260 
MET HXT  H  N N 261 
PHE N    N  N N 262 
PHE CA   C  N S 263 
PHE C    C  N N 264 
PHE O    O  N N 265 
PHE CB   C  N N 266 
PHE CG   C  Y N 267 
PHE CD1  C  Y N 268 
PHE CD2  C  Y N 269 
PHE CE1  C  Y N 270 
PHE CE2  C  Y N 271 
PHE CZ   C  Y N 272 
PHE OXT  O  N N 273 
PHE H    H  N N 274 
PHE H2   H  N N 275 
PHE HA   H  N N 276 
PHE HB2  H  N N 277 
PHE HB3  H  N N 278 
PHE HD1  H  N N 279 
PHE HD2  H  N N 280 
PHE HE1  H  N N 281 
PHE HE2  H  N N 282 
PHE HZ   H  N N 283 
PHE HXT  H  N N 284 
PRO N    N  N N 285 
PRO CA   C  N S 286 
PRO C    C  N N 287 
PRO O    O  N N 288 
PRO CB   C  N N 289 
PRO CG   C  N N 290 
PRO CD   C  N N 291 
PRO OXT  O  N N 292 
PRO H    H  N N 293 
PRO HA   H  N N 294 
PRO HB2  H  N N 295 
PRO HB3  H  N N 296 
PRO HG2  H  N N 297 
PRO HG3  H  N N 298 
PRO HD2  H  N N 299 
PRO HD3  H  N N 300 
PRO HXT  H  N N 301 
SER N    N  N N 302 
SER CA   C  N S 303 
SER C    C  N N 304 
SER O    O  N N 305 
SER CB   C  N N 306 
SER OG   O  N N 307 
SER OXT  O  N N 308 
SER H    H  N N 309 
SER H2   H  N N 310 
SER HA   H  N N 311 
SER HB2  H  N N 312 
SER HB3  H  N N 313 
SER HG   H  N N 314 
SER HXT  H  N N 315 
SO4 S    S  N N 316 
SO4 O1   O  N N 317 
SO4 O2   O  N N 318 
SO4 O3   O  N N 319 
SO4 O4   O  N N 320 
THR N    N  N N 321 
THR CA   C  N S 322 
THR C    C  N N 323 
THR O    O  N N 324 
THR CB   C  N R 325 
THR OG1  O  N N 326 
THR CG2  C  N N 327 
THR OXT  O  N N 328 
THR H    H  N N 329 
THR H2   H  N N 330 
THR HA   H  N N 331 
THR HB   H  N N 332 
THR HG1  H  N N 333 
THR HG21 H  N N 334 
THR HG22 H  N N 335 
THR HG23 H  N N 336 
THR HXT  H  N N 337 
TRP N    N  N N 338 
TRP CA   C  N S 339 
TRP C    C  N N 340 
TRP O    O  N N 341 
TRP CB   C  N N 342 
TRP CG   C  Y N 343 
TRP CD1  C  Y N 344 
TRP CD2  C  Y N 345 
TRP NE1  N  Y N 346 
TRP CE2  C  Y N 347 
TRP CE3  C  Y N 348 
TRP CZ2  C  Y N 349 
TRP CZ3  C  Y N 350 
TRP CH2  C  Y N 351 
TRP OXT  O  N N 352 
TRP H    H  N N 353 
TRP H2   H  N N 354 
TRP HA   H  N N 355 
TRP HB2  H  N N 356 
TRP HB3  H  N N 357 
TRP HD1  H  N N 358 
TRP HE1  H  N N 359 
TRP HE3  H  N N 360 
TRP HZ2  H  N N 361 
TRP HZ3  H  N N 362 
TRP HH2  H  N N 363 
TRP HXT  H  N N 364 
TYR N    N  N N 365 
TYR CA   C  N S 366 
TYR C    C  N N 367 
TYR O    O  N N 368 
TYR CB   C  N N 369 
TYR CG   C  Y N 370 
TYR CD1  C  Y N 371 
TYR CD2  C  Y N 372 
TYR CE1  C  Y N 373 
TYR CE2  C  Y N 374 
TYR CZ   C  Y N 375 
TYR OH   O  N N 376 
TYR OXT  O  N N 377 
TYR H    H  N N 378 
TYR H2   H  N N 379 
TYR HA   H  N N 380 
TYR HB2  H  N N 381 
TYR HB3  H  N N 382 
TYR HD1  H  N N 383 
TYR HD2  H  N N 384 
TYR HE1  H  N N 385 
TYR HE2  H  N N 386 
TYR HH   H  N N 387 
TYR HXT  H  N N 388 
VAL N    N  N N 389 
VAL CA   C  N S 390 
VAL C    C  N N 391 
VAL O    O  N N 392 
VAL CB   C  N N 393 
VAL CG1  C  N N 394 
VAL CG2  C  N N 395 
VAL OXT  O  N N 396 
VAL H    H  N N 397 
VAL H2   H  N N 398 
VAL HA   H  N N 399 
VAL HB   H  N N 400 
VAL HG11 H  N N 401 
VAL HG12 H  N N 402 
VAL HG13 H  N N 403 
VAL HG21 H  N N 404 
VAL HG22 H  N N 405 
VAL HG23 H  N N 406 
VAL HXT  H  N N 407 
# 
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 
ALA N   CA   sing N N 1   
ALA N   H    sing N N 2   
ALA N   H2   sing N N 3   
ALA CA  C    sing N N 4   
ALA CA  CB   sing N N 5   
ALA CA  HA   sing N N 6   
ALA C   O    doub N N 7   
ALA C   OXT  sing N N 8   
ALA CB  HB1  sing N N 9   
ALA CB  HB2  sing N N 10  
ALA CB  HB3  sing N N 11  
ALA OXT HXT  sing N N 12  
ARG N   CA   sing N N 13  
ARG N   H    sing N N 14  
ARG N   H2   sing N N 15  
ARG CA  C    sing N N 16  
ARG CA  CB   sing N N 17  
ARG CA  HA   sing N N 18  
ARG C   O    doub N N 19  
ARG C   OXT  sing N N 20  
ARG CB  CG   sing N N 21  
ARG CB  HB2  sing N N 22  
ARG CB  HB3  sing N N 23  
ARG CG  CD   sing N N 24  
ARG CG  HG2  sing N N 25  
ARG CG  HG3  sing N N 26  
ARG CD  NE   sing N N 27  
ARG CD  HD2  sing N N 28  
ARG CD  HD3  sing N N 29  
ARG NE  CZ   sing N N 30  
ARG NE  HE   sing N N 31  
ARG CZ  NH1  sing N N 32  
ARG CZ  NH2  doub N N 33  
ARG NH1 HH11 sing N N 34  
ARG NH1 HH12 sing N N 35  
ARG NH2 HH21 sing N N 36  
ARG NH2 HH22 sing N N 37  
ARG OXT HXT  sing N N 38  
ASN N   CA   sing N N 39  
ASN N   H    sing N N 40  
ASN N   H2   sing N N 41  
ASN CA  C    sing N N 42  
ASN CA  CB   sing N N 43  
ASN CA  HA   sing N N 44  
ASN C   O    doub N N 45  
ASN C   OXT  sing N N 46  
ASN CB  CG   sing N N 47  
ASN CB  HB2  sing N N 48  
ASN CB  HB3  sing N N 49  
ASN CG  OD1  doub N N 50  
ASN CG  ND2  sing N N 51  
ASN ND2 HD21 sing N N 52  
ASN ND2 HD22 sing N N 53  
ASN OXT HXT  sing N N 54  
ASP N   CA   sing N N 55  
ASP N   H    sing N N 56  
ASP N   H2   sing N N 57  
ASP CA  C    sing N N 58  
ASP CA  CB   sing N N 59  
ASP CA  HA   sing N N 60  
ASP C   O    doub N N 61  
ASP C   OXT  sing N N 62  
ASP CB  CG   sing N N 63  
ASP CB  HB2  sing N N 64  
ASP CB  HB3  sing N N 65  
ASP CG  OD1  doub N N 66  
ASP CG  OD2  sing N N 67  
ASP OD2 HD2  sing N N 68  
ASP OXT HXT  sing N N 69  
CYS N   CA   sing N N 70  
CYS N   H    sing N N 71  
CYS N   H2   sing N N 72  
CYS CA  C    sing N N 73  
CYS CA  CB   sing N N 74  
CYS CA  HA   sing N N 75  
CYS C   O    doub N N 76  
CYS C   OXT  sing N N 77  
CYS CB  SG   sing N N 78  
CYS CB  HB2  sing N N 79  
CYS CB  HB3  sing N N 80  
CYS SG  HG   sing N N 81  
CYS OXT HXT  sing N N 82  
EDO C1  O1   sing N N 83  
EDO C1  C2   sing N N 84  
EDO C1  H11  sing N N 85  
EDO C1  H12  sing N N 86  
EDO O1  HO1  sing N N 87  
EDO C2  O2   sing N N 88  
EDO C2  H21  sing N N 89  
EDO C2  H22  sing N N 90  
EDO O2  HO2  sing N N 91  
GLN N   CA   sing N N 92  
GLN N   H    sing N N 93  
GLN N   H2   sing N N 94  
GLN CA  C    sing N N 95  
GLN CA  CB   sing N N 96  
GLN CA  HA   sing N N 97  
GLN C   O    doub N N 98  
GLN C   OXT  sing N N 99  
GLN CB  CG   sing N N 100 
GLN CB  HB2  sing N N 101 
GLN CB  HB3  sing N N 102 
GLN CG  CD   sing N N 103 
GLN CG  HG2  sing N N 104 
GLN CG  HG3  sing N N 105 
GLN CD  OE1  doub N N 106 
GLN CD  NE2  sing N N 107 
GLN NE2 HE21 sing N N 108 
GLN NE2 HE22 sing N N 109 
GLN OXT HXT  sing N N 110 
GLU N   CA   sing N N 111 
GLU N   H    sing N N 112 
GLU N   H2   sing N N 113 
GLU CA  C    sing N N 114 
GLU CA  CB   sing N N 115 
GLU CA  HA   sing N N 116 
GLU C   O    doub N N 117 
GLU C   OXT  sing N N 118 
GLU CB  CG   sing N N 119 
GLU CB  HB2  sing N N 120 
GLU CB  HB3  sing N N 121 
GLU CG  CD   sing N N 122 
GLU CG  HG2  sing N N 123 
GLU CG  HG3  sing N N 124 
GLU CD  OE1  doub N N 125 
GLU CD  OE2  sing N N 126 
GLU OE2 HE2  sing N N 127 
GLU OXT HXT  sing N N 128 
GLY N   CA   sing N N 129 
GLY N   H    sing N N 130 
GLY N   H2   sing N N 131 
GLY CA  C    sing N N 132 
GLY CA  HA2  sing N N 133 
GLY CA  HA3  sing N N 134 
GLY C   O    doub N N 135 
GLY C   OXT  sing N N 136 
GLY OXT HXT  sing N N 137 
HIS N   CA   sing N N 138 
HIS N   H    sing N N 139 
HIS N   H2   sing N N 140 
HIS CA  C    sing N N 141 
HIS CA  CB   sing N N 142 
HIS CA  HA   sing N N 143 
HIS C   O    doub N N 144 
HIS C   OXT  sing N N 145 
HIS CB  CG   sing N N 146 
HIS CB  HB2  sing N N 147 
HIS CB  HB3  sing N N 148 
HIS CG  ND1  sing Y N 149 
HIS CG  CD2  doub Y N 150 
HIS ND1 CE1  doub Y N 151 
HIS ND1 HD1  sing N N 152 
HIS CD2 NE2  sing Y N 153 
HIS CD2 HD2  sing N N 154 
HIS CE1 NE2  sing Y N 155 
HIS CE1 HE1  sing N N 156 
HIS NE2 HE2  sing N N 157 
HIS OXT HXT  sing N N 158 
HOH O   H1   sing N N 159 
HOH O   H2   sing N N 160 
ILE N   CA   sing N N 161 
ILE N   H    sing N N 162 
ILE N   H2   sing N N 163 
ILE CA  C    sing N N 164 
ILE CA  CB   sing N N 165 
ILE CA  HA   sing N N 166 
ILE C   O    doub N N 167 
ILE C   OXT  sing N N 168 
ILE CB  CG1  sing N N 169 
ILE CB  CG2  sing N N 170 
ILE CB  HB   sing N N 171 
ILE CG1 CD1  sing N N 172 
ILE CG1 HG12 sing N N 173 
ILE CG1 HG13 sing N N 174 
ILE CG2 HG21 sing N N 175 
ILE CG2 HG22 sing N N 176 
ILE CG2 HG23 sing N N 177 
ILE CD1 HD11 sing N N 178 
ILE CD1 HD12 sing N N 179 
ILE CD1 HD13 sing N N 180 
ILE OXT HXT  sing N N 181 
LEU N   CA   sing N N 182 
LEU N   H    sing N N 183 
LEU N   H2   sing N N 184 
LEU CA  C    sing N N 185 
LEU CA  CB   sing N N 186 
LEU CA  HA   sing N N 187 
LEU C   O    doub N N 188 
LEU C   OXT  sing N N 189 
LEU CB  CG   sing N N 190 
LEU CB  HB2  sing N N 191 
LEU CB  HB3  sing N N 192 
LEU CG  CD1  sing N N 193 
LEU CG  CD2  sing N N 194 
LEU CG  HG   sing N N 195 
LEU CD1 HD11 sing N N 196 
LEU CD1 HD12 sing N N 197 
LEU CD1 HD13 sing N N 198 
LEU CD2 HD21 sing N N 199 
LEU CD2 HD22 sing N N 200 
LEU CD2 HD23 sing N N 201 
LEU OXT HXT  sing N N 202 
LYS N   CA   sing N N 203 
LYS N   H    sing N N 204 
LYS N   H2   sing N N 205 
LYS CA  C    sing N N 206 
LYS CA  CB   sing N N 207 
LYS CA  HA   sing N N 208 
LYS C   O    doub N N 209 
LYS C   OXT  sing N N 210 
LYS CB  CG   sing N N 211 
LYS CB  HB2  sing N N 212 
LYS CB  HB3  sing N N 213 
LYS CG  CD   sing N N 214 
LYS CG  HG2  sing N N 215 
LYS CG  HG3  sing N N 216 
LYS CD  CE   sing N N 217 
LYS CD  HD2  sing N N 218 
LYS CD  HD3  sing N N 219 
LYS CE  NZ   sing N N 220 
LYS CE  HE2  sing N N 221 
LYS CE  HE3  sing N N 222 
LYS NZ  HZ1  sing N N 223 
LYS NZ  HZ2  sing N N 224 
LYS NZ  HZ3  sing N N 225 
LYS OXT HXT  sing N N 226 
MET N   CA   sing N N 227 
MET N   H    sing N N 228 
MET N   H2   sing N N 229 
MET CA  C    sing N N 230 
MET CA  CB   sing N N 231 
MET CA  HA   sing N N 232 
MET C   O    doub N N 233 
MET C   OXT  sing N N 234 
MET CB  CG   sing N N 235 
MET CB  HB2  sing N N 236 
MET CB  HB3  sing N N 237 
MET CG  SD   sing N N 238 
MET CG  HG2  sing N N 239 
MET CG  HG3  sing N N 240 
MET SD  CE   sing N N 241 
MET CE  HE1  sing N N 242 
MET CE  HE2  sing N N 243 
MET CE  HE3  sing N N 244 
MET OXT HXT  sing N N 245 
PHE N   CA   sing N N 246 
PHE N   H    sing N N 247 
PHE N   H2   sing N N 248 
PHE CA  C    sing N N 249 
PHE CA  CB   sing N N 250 
PHE CA  HA   sing N N 251 
PHE C   O    doub N N 252 
PHE C   OXT  sing N N 253 
PHE CB  CG   sing N N 254 
PHE CB  HB2  sing N N 255 
PHE CB  HB3  sing N N 256 
PHE CG  CD1  doub Y N 257 
PHE CG  CD2  sing Y N 258 
PHE CD1 CE1  sing Y N 259 
PHE CD1 HD1  sing N N 260 
PHE CD2 CE2  doub Y N 261 
PHE CD2 HD2  sing N N 262 
PHE CE1 CZ   doub Y N 263 
PHE CE1 HE1  sing N N 264 
PHE CE2 CZ   sing Y N 265 
PHE CE2 HE2  sing N N 266 
PHE CZ  HZ   sing N N 267 
PHE OXT HXT  sing N N 268 
PRO N   CA   sing N N 269 
PRO N   CD   sing N N 270 
PRO N   H    sing N N 271 
PRO CA  C    sing N N 272 
PRO CA  CB   sing N N 273 
PRO CA  HA   sing N N 274 
PRO C   O    doub N N 275 
PRO C   OXT  sing N N 276 
PRO CB  CG   sing N N 277 
PRO CB  HB2  sing N N 278 
PRO CB  HB3  sing N N 279 
PRO CG  CD   sing N N 280 
PRO CG  HG2  sing N N 281 
PRO CG  HG3  sing N N 282 
PRO CD  HD2  sing N N 283 
PRO CD  HD3  sing N N 284 
PRO OXT HXT  sing N N 285 
SER N   CA   sing N N 286 
SER N   H    sing N N 287 
SER N   H2   sing N N 288 
SER CA  C    sing N N 289 
SER CA  CB   sing N N 290 
SER CA  HA   sing N N 291 
SER C   O    doub N N 292 
SER C   OXT  sing N N 293 
SER CB  OG   sing N N 294 
SER CB  HB2  sing N N 295 
SER CB  HB3  sing N N 296 
SER OG  HG   sing N N 297 
SER OXT HXT  sing N N 298 
SO4 S   O1   doub N N 299 
SO4 S   O2   doub N N 300 
SO4 S   O3   sing N N 301 
SO4 S   O4   sing N N 302 
THR N   CA   sing N N 303 
THR N   H    sing N N 304 
THR N   H2   sing N N 305 
THR CA  C    sing N N 306 
THR CA  CB   sing N N 307 
THR CA  HA   sing N N 308 
THR C   O    doub N N 309 
THR C   OXT  sing N N 310 
THR CB  OG1  sing N N 311 
THR CB  CG2  sing N N 312 
THR CB  HB   sing N N 313 
THR OG1 HG1  sing N N 314 
THR CG2 HG21 sing N N 315 
THR CG2 HG22 sing N N 316 
THR CG2 HG23 sing N N 317 
THR OXT HXT  sing N N 318 
TRP N   CA   sing N N 319 
TRP N   H    sing N N 320 
TRP N   H2   sing N N 321 
TRP CA  C    sing N N 322 
TRP CA  CB   sing N N 323 
TRP CA  HA   sing N N 324 
TRP C   O    doub N N 325 
TRP C   OXT  sing N N 326 
TRP CB  CG   sing N N 327 
TRP CB  HB2  sing N N 328 
TRP CB  HB3  sing N N 329 
TRP CG  CD1  doub Y N 330 
TRP CG  CD2  sing Y N 331 
TRP CD1 NE1  sing Y N 332 
TRP CD1 HD1  sing N N 333 
TRP CD2 CE2  doub Y N 334 
TRP CD2 CE3  sing Y N 335 
TRP NE1 CE2  sing Y N 336 
TRP NE1 HE1  sing N N 337 
TRP CE2 CZ2  sing Y N 338 
TRP CE3 CZ3  doub Y N 339 
TRP CE3 HE3  sing N N 340 
TRP CZ2 CH2  doub Y N 341 
TRP CZ2 HZ2  sing N N 342 
TRP CZ3 CH2  sing Y N 343 
TRP CZ3 HZ3  sing N N 344 
TRP CH2 HH2  sing N N 345 
TRP OXT HXT  sing N N 346 
TYR N   CA   sing N N 347 
TYR N   H    sing N N 348 
TYR N   H2   sing N N 349 
TYR CA  C    sing N N 350 
TYR CA  CB   sing N N 351 
TYR CA  HA   sing N N 352 
TYR C   O    doub N N 353 
TYR C   OXT  sing N N 354 
TYR CB  CG   sing N N 355 
TYR CB  HB2  sing N N 356 
TYR CB  HB3  sing N N 357 
TYR CG  CD1  doub Y N 358 
TYR CG  CD2  sing Y N 359 
TYR CD1 CE1  sing Y N 360 
TYR CD1 HD1  sing N N 361 
TYR CD2 CE2  doub Y N 362 
TYR CD2 HD2  sing N N 363 
TYR CE1 CZ   doub Y N 364 
TYR CE1 HE1  sing N N 365 
TYR CE2 CZ   sing Y N 366 
TYR CE2 HE2  sing N N 367 
TYR CZ  OH   sing N N 368 
TYR OH  HH   sing N N 369 
TYR OXT HXT  sing N N 370 
VAL N   CA   sing N N 371 
VAL N   H    sing N N 372 
VAL N   H2   sing N N 373 
VAL CA  C    sing N N 374 
VAL CA  CB   sing N N 375 
VAL CA  HA   sing N N 376 
VAL C   O    doub N N 377 
VAL C   OXT  sing N N 378 
VAL CB  CG1  sing N N 379 
VAL CB  CG2  sing N N 380 
VAL CB  HB   sing N N 381 
VAL CG1 HG11 sing N N 382 
VAL CG1 HG12 sing N N 383 
VAL CG1 HG13 sing N N 384 
VAL CG2 HG21 sing N N 385 
VAL CG2 HG22 sing N N 386 
VAL CG2 HG23 sing N N 387 
VAL OXT HXT  sing N N 388 
# 
_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                    9KP5 
_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]   0.005527 
_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]   0.005527 
_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]   0.005527 
_atom_sites.fract_transf_vector[1]      0.00000 
_atom_sites.fract_transf_vector[2]      0.00000 
_atom_sites.fract_transf_vector[3]      0.00000 
_atom_sites.solution_primary            ? 
_atom_sites.solution_secondary          ? 
_atom_sites.solution_hydrogens          ? 
_atom_sites.special_details             ? 
# 
loop_
_atom_type.symbol 
C  
CD 
CL 
N  
O  
S  
# 
loop_
_atom_site.group_PDB 
_atom_site.id 
_atom_site.type_symbol 
_atom_site.label_atom_id 
_atom_site.label_alt_id 
_atom_site.label_comp_id 
_atom_site.label_asym_id 
_atom_site.label_entity_id 
_atom_site.label_seq_id 
_atom_site.pdbx_PDB_ins_code 
_atom_site.Cartn_x 
_atom_site.Cartn_y 
_atom_site.Cartn_z 
_atom_site.occupancy 
_atom_site.B_iso_or_equiv 
_atom_site.pdbx_formal_charge 
_atom_site.auth_seq_id 
_atom_site.auth_comp_id 
_atom_site.auth_asym_id 
_atom_site.auth_atom_id 
_atom_site.pdbx_PDB_model_num 
ATOM   1    N  N   . SER A 1 1   ? 56.499 20.288  21.830 1.00 69.62 ? 1   SER A N   1 
ATOM   2    C  CA  . SER A 1 1   ? 56.001 19.042  22.467 1.00 69.52 ? 1   SER A CA  1 
ATOM   3    C  C   . SER A 1 1   ? 54.778 18.524  21.693 1.00 62.71 ? 1   SER A C   1 
ATOM   4    O  O   . SER A 1 1   ? 54.986 17.854  20.668 1.00 61.85 ? 1   SER A O   1 
ATOM   5    N  N   . SER A 1 2   ? 53.586 18.929  22.117 1.00 52.31 ? 2   SER A N   1 
ATOM   6    C  CA  . SER A 1 2   ? 52.347 18.506  21.391 1.00 35.31 ? 2   SER A CA  1 
ATOM   7    C  C   . SER A 1 2   ? 52.058 19.431  20.207 1.00 35.23 ? 2   SER A C   1 
ATOM   8    O  O   . SER A 1 2   ? 52.086 20.653  20.374 1.00 30.47 ? 2   SER A O   1 
ATOM   9    C  CB  . SER A 1 2   ? 51.115 18.346  22.269 1.00 32.22 ? 2   SER A CB  1 
ATOM   10   O  OG  . SER A 1 2   ? 49.914 18.170  21.533 1.00 21.35 ? 2   SER A OG  1 
ATOM   11   N  N   . GLN A 1 3   ? 51.652 18.820  19.113 1.00 28.08 ? 3   GLN A N   1 
ATOM   12   C  CA  . GLN A 1 3   ? 51.327 19.569  17.883 1.00 16.46 ? 3   GLN A CA  1 
ATOM   13   C  C   . GLN A 1 3   ? 49.968 20.264  17.967 1.00 15.89 ? 3   GLN A C   1 
ATOM   14   O  O   . GLN A 1 3   ? 49.731 21.109  17.154 1.00 16.02 ? 3   GLN A O   1 
ATOM   15   C  CB  . GLN A 1 3   ? 51.326 18.606  16.702 1.00 30.00 ? 3   GLN A CB  1 
ATOM   16   C  CG  . GLN A 1 3   ? 50.244 17.548  16.731 1.00 30.00 ? 3   GLN A CG  1 
ATOM   17   C  CD  . GLN A 1 3   ? 50.511 16.507  15.673 1.00 30.00 ? 3   GLN A CD  1 
ATOM   18   O  OE1 . GLN A 1 3   ? 51.391 16.660  14.829 1.00 30.00 ? 3   GLN A OE1 1 
ATOM   19   N  NE2 . GLN A 1 3   ? 49.748 15.436  15.718 1.00 30.00 ? 3   GLN A NE2 1 
ATOM   20   N  N   . ILE A 1 4   ? 49.093 19.852  18.888 1.00 10.70 ? 4   ILE A N   1 
ATOM   21   C  CA  . ILE A 1 4   ? 47.734 20.486  18.893 1.00 8.56  ? 4   ILE A CA  1 
ATOM   22   C  C   . ILE A 1 4   ? 47.487 21.285  20.175 1.00 8.10  ? 4   ILE A C   1 
ATOM   23   O  O   . ILE A 1 4   ? 46.594 22.125  20.182 1.00 9.52  ? 4   ILE A O   1 
ATOM   24   C  CB  . ILE A 1 4   ? 46.614 19.430  18.725 1.00 6.63  ? 4   ILE A CB  1 
ATOM   25   C  CG1 . ILE A 1 4   ? 46.462 18.542  19.963 1.00 8.60  ? 4   ILE A CG1 1 
ATOM   26   C  CG2 . ILE A 1 4   ? 46.825 18.609  17.462 1.00 9.73  ? 4   ILE A CG2 1 
ATOM   27   C  CD1 . ILE A 1 4   ? 45.249 17.641  19.918 1.00 9.97  ? 4   ILE A CD1 1 
ATOM   28   N  N   . ARG A 1 5   ? 48.249 21.002  21.209 1.00 7.25  ? 5   ARG A N   1 
ATOM   29   C  CA  . ARG A 1 5   ? 47.955 21.623  22.521 1.00 7.14  ? 5   ARG A CA  1 
ATOM   30   C  C   . ARG A 1 5   ? 48.008 23.149  22.472 1.00 7.09  ? 5   ARG A C   1 
ATOM   31   O  O   . ARG A 1 5   ? 48.997 23.672  22.036 1.00 9.56  ? 5   ARG A O   1 
ATOM   32   C  CB  . ARG A 1 5   ? 48.929 21.059  23.551 1.00 8.62  ? 5   ARG A CB  1 
ATOM   33   C  CG  . ARG A 1 5   ? 48.507 21.295  24.994 1.00 8.42  ? 5   ARG A CG  1 
ATOM   34   C  CD  . ARG A 1 5   ? 49.461 20.627  25.963 1.00 13.41 ? 5   ARG A CD  1 
ATOM   35   N  NE  . ARG A 1 5   ? 49.024 20.827  27.334 1.00 10.43 ? 5   ARG A NE  1 
ATOM   36   C  CZ  . ARG A 1 5   ? 49.223 19.959  28.307 1.00 8.41  ? 5   ARG A CZ  1 
ATOM   37   N  NH1 . ARG A 1 5   ? 49.859 18.828  28.066 1.00 8.83  ? 5   ARG A NH1 1 
ATOM   38   N  NH2 . ARG A 1 5   ? 48.780 20.219  29.520 1.00 7.05  ? 5   ARG A NH2 1 
ATOM   39   N  N   . GLN A 1 6   ? 46.960 23.780  23.000 1.00 6.57  ? 6   GLN A N   1 
ATOM   40   C  CA  . GLN A 1 6   ? 46.893 25.252  23.002 1.00 7.00  ? 6   GLN A CA  1 
ATOM   41   C  C   . GLN A 1 6   ? 45.997 25.683  24.168 1.00 7.84  ? 6   GLN A C   1 
ATOM   42   O  O   . GLN A 1 6   ? 44.883 25.239  24.230 1.00 6.91  ? 6   GLN A O   1 
ATOM   43   C  CB  . GLN A 1 6   ? 46.407 25.726  21.623 1.00 4.79  ? 6   GLN A CB  1 
ATOM   44   C  CG  . GLN A 1 6   ? 46.473 27.240  21.459 1.00 9.20  ? 6   GLN A CG  1 
ATOM   45   C  CD  . GLN A 1 6   ? 46.097 27.673  20.064 1.00 8.63  ? 6   GLN A CD  1 
ATOM   46   O  OE1 . GLN A 1 6   ? 45.317 27.022  19.383 1.00 9.33  ? 6   GLN A OE1 1 
ATOM   47   N  NE2 . GLN A 1 6   ? 46.653 28.793  19.642 1.00 9.69  ? 6   GLN A NE2 1 
ATOM   48   N  N   . ASN A 1 7   ? 46.533 26.548  25.032 1.00 6.40  ? 7   ASN A N   1 
ATOM   49   C  CA  . ASN A 1 7   ? 45.773 27.077  26.196 1.00 6.55  ? 7   ASN A CA  1 
ATOM   50   C  C   . ASN A 1 7   ? 45.336 25.977  27.155 1.00 7.47  ? 7   ASN A C   1 
ATOM   51   O  O   . ASN A 1 7   ? 44.343 26.156  27.793 1.00 7.12  ? 7   ASN A O   1 
ATOM   52   C  CB  . ASN A 1 7   ? 44.559 27.892  25.760 1.00 7.86  ? 7   ASN A CB  1 
ATOM   53   C  CG  . ASN A 1 7   ? 44.092 28.817  26.858 1.00 6.23  ? 7   ASN A CG  1 
ATOM   54   O  OD1 . ASN A 1 7   ? 44.904 29.346  27.603 1.00 8.72  ? 7   ASN A OD1 1 
ATOM   55   N  ND2 . ASN A 1 7   ? 42.790 28.998  26.973 1.00 7.39  ? 7   ASN A ND2 1 
ATOM   56   N  N   . TYR A 1 8   ? 46.122 24.917  27.220 1.00 6.31  ? 8   TYR A N   1 
ATOM   57   C  CA  . TYR A 1 8   ? 45.744 23.764  28.075 1.00 6.62  ? 8   TYR A CA  1 
ATOM   58   C  C   . TYR A 1 8   ? 46.828 23.531  29.136 1.00 6.61  ? 8   TYR A C   1 
ATOM   59   O  O   . TYR A 1 8   ? 47.860 22.953  28.845 1.00 8.12  ? 8   TYR A O   1 
ATOM   60   C  CB  . TYR A 1 8   ? 45.504 22.533  27.190 1.00 7.49  ? 8   TYR A CB  1 
ATOM   61   C  CG  . TYR A 1 8   ? 44.758 21.415  27.880 1.00 7.68  ? 8   TYR A CG  1 
ATOM   62   C  CD1 . TYR A 1 8   ? 43.503 21.628  28.412 1.00 7.03  ? 8   TYR A CD1 1 
ATOM   63   C  CD2 . TYR A 1 8   ? 45.310 20.154  28.023 1.00 8.27  ? 8   TYR A CD2 1 
ATOM   64   C  CE1 . TYR A 1 8   ? 42.795 20.621  29.044 1.00 6.33  ? 8   TYR A CE1 1 
ATOM   65   C  CE2 . TYR A 1 8   ? 44.621 19.134  28.660 1.00 6.57  ? 8   TYR A CE2 1 
ATOM   66   C  CZ  . TYR A 1 8   ? 43.357 19.368  29.169 1.00 5.75  ? 8   TYR A CZ  1 
ATOM   67   O  OH  . TYR A 1 8   ? 42.662 18.380  29.805 1.00 7.91  ? 8   TYR A OH  1 
ATOM   68   N  N   . SER A 1 9   ? 46.528 23.973  30.342 1.00 6.66  ? 9   SER A N   1 
ATOM   69   C  CA  . SER A 1 9   ? 47.556 23.906  31.404 1.00 6.93  ? 9   SER A CA  1 
ATOM   70   C  C   . SER A 1 9   ? 47.833 22.496  31.919 1.00 7.31  ? 9   SER A C   1 
ATOM   71   O  O   . SER A 1 9   ? 46.997 21.649  31.850 1.00 7.78  ? 9   SER A O   1 
ATOM   72   C  CB  . SER A 1 9   ? 47.146 24.785  32.560 1.00 7.71  ? 9   SER A CB  1 
ATOM   73   O  OG  . SER A 1 9   ? 46.017 24.262  33.232 1.00 8.91  ? 9   SER A OG  1 
ATOM   74   N  N   . THR A 1 10  ? 49.034 22.350  32.461 1.00 9.19  ? 10  THR A N   1 
ATOM   75   C  CA  . THR A 1 10  ? 49.371 21.062  33.094 1.00 8.40  ? 10  THR A CA  1 
ATOM   76   C  C   . THR A 1 10  ? 48.465 20.852  34.308 1.00 7.28  ? 10  THR A C   1 
ATOM   77   O  O   . THR A 1 10  ? 48.187 19.740  34.633 1.00 8.38  ? 10  THR A O   1 
ATOM   78   C  CB  . THR A 1 10  ? 50.855 21.109  33.461 1.00 12.46 ? 10  THR A CB  1 
ATOM   79   O  OG1 . THR A 1 10  ? 51.086 22.193  34.355 1.00 15.48 ? 10  THR A OG1 1 
ATOM   80   C  CG2 . THR A 1 10  ? 51.749 21.238  32.248 1.00 12.88 ? 10  THR A CG2 1 
ATOM   81   N  N   . GLU A 1 11  ? 48.068 21.944  34.954 1.00 7.37  ? 11  GLU A N   1 
ATOM   82   C  CA  . GLU A 1 11  ? 47.197 21.830  36.148 1.00 6.89  ? 11  GLU A CA  1 
ATOM   83   C  C   . GLU A 1 11  ? 45.818 21.262  35.762 1.00 6.66  ? 11  GLU A C   1 
ATOM   84   O  O   . GLU A 1 11  ? 45.323 20.395  36.437 1.00 7.96  ? 11  GLU A O   1 
ATOM   85   C  CB  . GLU A 1 11  ? 47.069 23.195  36.829 1.00 10.14 ? 11  GLU A CB  1 
ATOM   86   C  CG  . GLU A 1 11  ? 48.339 23.678  37.503 1.00 11.20 ? 11  GLU A CG  1 
ATOM   87   C  CD  . GLU A 1 11  ? 49.269 24.467  36.602 1.00 18.04 ? 11  GLU A CD  1 
ATOM   88   O  OE1 . GLU A 1 11  ? 48.915 24.678  35.445 1.00 11.39 ? 11  GLU A OE1 1 
ATOM   89   O  OE2 . GLU A 1 11  ? 50.354 24.848  37.069 1.00 20.90 ? 11  GLU A OE2 1 
ATOM   90   N  N   . VAL A 1 12  ? 45.271 21.777  34.678 1.00 6.31  ? 12  VAL A N   1 
ATOM   91   C  CA  . VAL A 1 12  ? 43.968 21.240  34.201 1.00 6.06  ? 12  VAL A CA  1 
ATOM   92   C  C   . VAL A 1 12  ? 44.135 19.791  33.721 1.00 7.82  ? 12  VAL A C   1 
ATOM   93   O  O   . VAL A 1 12  ? 43.314 18.973  34.018 1.00 6.23  ? 12  VAL A O   1 
ATOM   94   C  CB  . VAL A 1 12  ? 43.386 22.173  33.121 1.00 6.48  ? 12  VAL A CB  1 
ATOM   95   C  CG1 . VAL A 1 12  ? 42.298 21.481  32.314 1.00 8.22  ? 12  VAL A CG1 1 
ATOM   96   C  CG2 . VAL A 1 12  ? 42.842 23.446  33.748 1.00 8.08  ? 12  VAL A CG2 1 
ATOM   97   N  N   . GLU A 1 13  ? 45.202 19.544  32.973 1.00 5.45  ? 13  GLU A N   1 
ATOM   98   C  CA  . GLU A 1 13  ? 45.428 18.164  32.478 1.00 6.06  ? 13  GLU A CA  1 
ATOM   99   C  C   . GLU A 1 13  ? 45.423 17.179  33.659 1.00 7.44  ? 13  GLU A C   1 
ATOM   100  O  O   . GLU A 1 13  ? 44.816 16.132  33.561 1.00 6.31  ? 13  GLU A O   1 
ATOM   101  C  CB  . GLU A 1 13  ? 46.749 18.144  31.698 1.00 6.43  ? 13  GLU A CB  1 
ATOM   102  C  CG  . GLU A 1 13  ? 47.185 16.768  31.216 1.00 7.25  ? 13  GLU A CG  1 
ATOM   103  C  CD  . GLU A 1 13  ? 48.552 16.758  30.557 1.00 10.00 ? 13  GLU A CD  1 
ATOM   104  O  OE1 . GLU A 1 13  ? 49.287 17.732  30.738 1.00 12.00 ? 13  GLU A OE1 1 
ATOM   105  O  OE2 . GLU A 1 13  ? 48.875 15.775  29.885 1.00 11.02 ? 13  GLU A OE2 1 
ATOM   106  N  N   . ALA A 1 14  ? 46.137 17.528  34.724 1.00 6.96  ? 14  ALA A N   1 
ATOM   107  C  CA  . ALA A 1 14  ? 46.228 16.603  35.874 1.00 5.40  ? 14  ALA A CA  1 
ATOM   108  C  C   . ALA A 1 14  ? 44.884 16.479  36.603 1.00 6.79  ? 14  ALA A C   1 
ATOM   109  O  O   . ALA A 1 14  ? 44.539 15.394  37.044 1.00 6.73  ? 14  ALA A O   1 
ATOM   110  C  CB  . ALA A 1 14  ? 47.307 17.121  36.801 1.00 6.38  ? 14  ALA A CB  1 
ATOM   111  N  N   . ALA A 1 15  ? 44.193 17.607  36.721 1.00 7.05  ? 15  ALA A N   1 
ATOM   112  C  CA  . ALA A 1 15  ? 42.896 17.560  37.427 1.00 6.17  ? 15  ALA A CA  1 
ATOM   113  C  C   . ALA A 1 15  ? 41.888 16.739  36.624 1.00 6.58  ? 15  ALA A C   1 
ATOM   114  O  O   . ALA A 1 15  ? 41.042 16.141  37.211 1.00 6.66  ? 15  ALA A O   1 
ATOM   115  C  CB  . ALA A 1 15  ? 42.401 18.966  37.640 1.00 8.88  ? 15  ALA A CB  1 
ATOM   116  N  N   . VAL A 1 16  ? 42.009 16.826  35.298 1.00 5.79  ? 16  VAL A N   1 
ATOM   117  C  CA  . VAL A 1 16  ? 41.118 15.999  34.434 1.00 5.49  ? 16  VAL A CA  1 
ATOM   118  C  C   . VAL A 1 16  ? 41.385 14.499  34.706 1.00 6.49  ? 16  VAL A C   1 
ATOM   119  O  O   . VAL A 1 16  ? 40.451 13.737  34.799 1.00 6.39  ? 16  VAL A O   1 
ATOM   120  C  CB  . VAL A 1 16  ? 41.298 16.390  32.948 1.00 5.55  ? 16  VAL A CB  1 
ATOM   121  C  CG1 . VAL A 1 16  ? 40.671 15.369  32.009 1.00 7.23  ? 16  VAL A CG1 1 
ATOM   122  C  CG2 . VAL A 1 16  ? 40.695 17.764  32.694 1.00 6.90  ? 16  VAL A CG2 1 
ATOM   123  N  N   . ASN A 1 17  ? 42.659 14.125  34.779 1.00 5.77  ? 17  ASN A N   1 
ATOM   124  C  CA  . ASN A 1 17  ? 42.974 12.709  35.073 1.00 6.14  ? 17  ASN A CA  1 
ATOM   125  C  C   . ASN A 1 17  ? 42.431 12.307  36.450 1.00 7.18  ? 17  ASN A C   1 
ATOM   126  O  O   . ASN A 1 17  ? 41.965 11.212  36.609 1.00 6.94  ? 17  ASN A O   1 
ATOM   127  C  CB  . ASN A 1 17  ? 44.481 12.507  34.970 1.00 5.82  ? 17  ASN A CB  1 
ATOM   128  C  CG  . ASN A 1 17  ? 44.970 12.405  33.542 1.00 6.14  ? 17  ASN A CG  1 
ATOM   129  O  OD1 . ASN A 1 17  ? 44.256 11.935  32.670 1.00 6.89  ? 17  ASN A OD1 1 
ATOM   130  N  ND2 . ASN A 1 17  ? 46.184 12.858  33.301 1.00 8.19  ? 17  ASN A ND2 1 
ATOM   131  N  N   . ARG A 1 18  ? 42.521 13.224  37.394 1.00 6.01  ? 18  ARG A N   1 
ATOM   132  C  CA  . ARG A 1 18  ? 42.013 12.921  38.754 1.00 6.97  ? 18  ARG A CA  1 
ATOM   133  C  C   . ARG A 1 18  ? 40.489 12.745  38.716 1.00 7.25  ? 18  ARG A C   1 
ATOM   134  O  O   . ARG A 1 18  ? 39.962 11.874  39.386 1.00 7.76  ? 18  ARG A O   1 
ATOM   135  C  CB  . ARG A 1 18  ? 42.463 14.037  39.699 1.00 7.04  ? 18  ARG A CB  1 
ATOM   136  C  CG  . ARG A 1 18  ? 43.927 13.892  40.091 1.00 14.29 ? 18  ARG A CG  1 
ATOM   137  C  CD  . ARG A 1 18  ? 44.334 14.702  41.302 1.00 23.89 ? 18  ARG A CD  1 
ATOM   138  N  NE  . ARG A 1 18  ? 44.143 16.120  41.058 1.00 24.39 ? 18  ARG A NE  1 
ATOM   139  C  CZ  . ARG A 1 18  ? 45.056 16.918  40.523 1.00 21.76 ? 18  ARG A CZ  1 
ATOM   140  N  NH1 . ARG A 1 18  ? 46.243 16.440  40.198 1.00 23.00 ? 18  ARG A NH1 1 
ATOM   141  N  NH2 . ARG A 1 18  ? 44.784 18.190  40.339 1.00 18.59 ? 18  ARG A NH2 1 
ATOM   142  N  N   . LEU A 1 19  ? 39.849 13.582  37.921 1.00 6.19  ? 19  LEU A N   1 
ATOM   143  C  CA  . LEU A 1 19  ? 38.370 13.503  37.839 1.00 5.86  ? 19  LEU A CA  1 
ATOM   144  C  C   . LEU A 1 19  ? 37.932 12.205  37.140 1.00 6.65  ? 19  LEU A C   1 
ATOM   145  O  O   . LEU A 1 19  ? 36.896 11.685  37.478 1.00 6.87  ? 19  LEU A O   1 
ATOM   146  C  CB  . LEU A 1 19  ? 37.885 14.748  37.086 1.00 6.97  ? 19  LEU A CB  1 
ATOM   147  C  CG  . LEU A 1 19  ? 36.375 14.965  37.117 1.00 6.97  ? 19  LEU A CG  1 
ATOM   148  C  CD1 . LEU A 1 19  ? 35.876 15.068  38.550 1.00 7.79  ? 19  LEU A CD1 1 
ATOM   149  C  CD2 . LEU A 1 19  ? 35.985 16.197  36.319 1.00 8.58  ? 19  LEU A CD2 1 
ATOM   150  N  N   . VAL A 1 20  ? 38.730 11.757  36.175 1.00 5.85  ? 20  VAL A N   1 
ATOM   151  C  CA  . VAL A 1 20  ? 38.438 10.438  35.547 1.00 5.41  ? 20  VAL A CA  1 
ATOM   152  C  C   . VAL A 1 20  ? 38.469 9.355   36.638 1.00 6.70  ? 20  VAL A C   1 
ATOM   153  O  O   . VAL A 1 20  ? 37.599 8.530   36.666 1.00 6.49  ? 20  VAL A O   1 
ATOM   154  C  CB  . VAL A 1 20  ? 39.459 10.164  34.421 1.00 5.01  ? 20  VAL A CB  1 
ATOM   155  C  CG1 . VAL A 1 20  ? 39.408 8.711   33.964 1.00 6.82  ? 20  VAL A CG1 1 
ATOM   156  C  CG2 . VAL A 1 20  ? 39.211 11.080  33.227 1.00 5.92  ? 20  VAL A CG2 1 
ATOM   157  N  N   . ASN A 1 21  ? 39.487 9.413   37.489 1.00 6.18  ? 21  ASN A N   1 
ATOM   158  C  CA  . ASN A 1 21  ? 39.574 8.428   38.586 1.00 4.71  ? 21  ASN A CA  1 
ATOM   159  C  C   . ASN A 1 21  ? 38.315 8.508   39.467 1.00 6.01  ? 21  ASN A C   1 
ATOM   160  O  O   . ASN A 1 21  ? 37.803 7.493   39.852 1.00 6.39  ? 21  ASN A O   1 
ATOM   161  C  CB  . ASN A 1 21  ? 40.880 8.610   39.375 1.00 6.30  ? 21  ASN A CB  1 
ATOM   162  C  CG  . ASN A 1 21  ? 41.201 7.412   40.247 1.00 7.24  ? 21  ASN A CG  1 
ATOM   163  O  OD1 . ASN A 1 21  ? 41.829 6.459   39.796 1.00 10.12 ? 21  ASN A OD1 1 
ATOM   164  N  ND2 . ASN A 1 21  ? 40.768 7.448   41.493 1.00 6.52  ? 21  ASN A ND2 1 
ATOM   165  N  N   A LEU A 1 22  ? 37.884 9.724   39.765 0.65 6.35  ? 22  LEU A N   1 
ATOM   166  N  N   B LEU A 1 22  ? 37.885 9.724   39.763 0.35 6.41  ? 22  LEU A N   1 
ATOM   167  C  CA  A LEU A 1 22  ? 36.719 9.873   40.668 0.65 6.82  ? 22  LEU A CA  1 
ATOM   168  C  CA  B LEU A 1 22  ? 36.721 9.876   40.666 0.35 6.85  ? 22  LEU A CA  1 
ATOM   169  C  C   A LEU A 1 22  ? 35.481 9.277   39.999 0.65 6.92  ? 22  LEU A C   1 
ATOM   170  C  C   B LEU A 1 22  ? 35.481 9.281   40.000 0.35 6.94  ? 22  LEU A C   1 
ATOM   171  O  O   A LEU A 1 22  ? 34.651 8.734   40.711 0.65 6.19  ? 22  LEU A O   1 
ATOM   172  O  O   B LEU A 1 22  ? 34.652 8.735   40.712 0.35 6.21  ? 22  LEU A O   1 
ATOM   173  C  CB  A LEU A 1 22  ? 36.520 11.361  40.978 0.65 7.97  ? 22  LEU A CB  1 
ATOM   174  C  CB  B LEU A 1 22  ? 36.533 11.367  40.966 0.35 7.97  ? 22  LEU A CB  1 
ATOM   175  C  CG  A LEU A 1 22  ? 37.535 11.974  41.936 0.65 8.44  ? 22  LEU A CG  1 
ATOM   176  C  CG  B LEU A 1 22  ? 36.182 11.713  42.408 0.35 12.91 ? 22  LEU A CG  1 
ATOM   177  C  CD1 A LEU A 1 22  ? 37.279 13.463  42.100 0.65 10.81 ? 22  LEU A CD1 1 
ATOM   178  C  CD1 B LEU A 1 22  ? 37.330 11.340  43.332 0.35 13.36 ? 22  LEU A CD1 1 
ATOM   179  C  CD2 A LEU A 1 22  ? 37.477 11.278  43.286 0.65 13.49 ? 22  LEU A CD2 1 
ATOM   180  C  CD2 B LEU A 1 22  ? 35.856 13.192  42.527 0.35 8.03  ? 22  LEU A CD2 1 
ATOM   181  N  N   . TYR A 1 23  ? 35.291 9.599   38.721 1.00 6.46  ? 23  TYR A N   1 
ATOM   182  C  CA  . TYR A 1 23  ? 34.095 9.068   38.010 1.00 5.32  ? 23  TYR A CA  1 
ATOM   183  C  C   . TYR A 1 23  ? 34.136 7.535   37.881 1.00 6.39  ? 23  TYR A C   1 
ATOM   184  O  O   . TYR A 1 23  ? 33.123 6.904   37.975 1.00 7.10  ? 23  TYR A O   1 
ATOM   185  C  CB  . TYR A 1 23  ? 33.930 9.750   36.640 1.00 6.46  ? 23  TYR A CB  1 
ATOM   186  C  CG  . TYR A 1 23  ? 33.064 10.979  36.707 1.00 6.80  ? 23  TYR A CG  1 
ATOM   187  C  CD1 . TYR A 1 23  ? 33.544 12.159  37.246 1.00 7.85  ? 23  TYR A CD1 1 
ATOM   188  C  CD2 . TYR A 1 23  ? 31.751 10.944  36.282 1.00 7.58  ? 23  TYR A CD2 1 
ATOM   189  C  CE1 . TYR A 1 23  ? 32.742 13.281  37.351 1.00 8.57  ? 23  TYR A CE1 1 
ATOM   190  C  CE2 . TYR A 1 23  ? 30.936 12.057  36.377 1.00 8.05  ? 23  TYR A CE2 1 
ATOM   191  C  CZ  . TYR A 1 23  ? 31.433 13.226  36.917 1.00 9.06  ? 23  TYR A CZ  1 
ATOM   192  O  OH  . TYR A 1 23  ? 30.639 14.328  37.025 1.00 11.23 ? 23  TYR A OH  1 
ATOM   193  N  N   . LEU A 1 24  ? 35.330 7.014   37.610 1.00 5.70  ? 24  LEU A N   1 
ATOM   194  C  CA  . LEU A 1 24  ? 35.403 5.539   37.559 1.00 5.65  ? 24  LEU A CA  1 
ATOM   195  C  C   . LEU A 1 24  ? 35.186 4.942   38.961 1.00 7.62  ? 24  LEU A C   1 
ATOM   196  O  O   . LEU A 1 24  ? 34.604 3.888   39.045 1.00 6.74  ? 24  LEU A O   1 
ATOM   197  C  CB  . LEU A 1 24  ? 36.747 5.117   36.954 1.00 5.91  ? 24  LEU A CB  1 
ATOM   198  C  CG  . LEU A 1 24  ? 36.942 5.452   35.476 1.00 5.72  ? 24  LEU A CG  1 
ATOM   199  C  CD1 . LEU A 1 24  ? 38.345 5.074   35.028 1.00 8.69  ? 24  LEU A CD1 1 
ATOM   200  C  CD2 . LEU A 1 24  ? 35.900 4.751   34.615 1.00 8.58  ? 24  LEU A CD2 1 
ATOM   201  N  N   . ARG A 1 25  ? 35.697 5.606   39.989 1.00 5.50  ? 25  ARG A N   1 
ATOM   202  C  CA  . ARG A 1 25  ? 35.431 5.092   41.356 1.00 6.02  ? 25  ARG A CA  1 
ATOM   203  C  C   . ARG A 1 25  ? 33.929 5.088   41.622 1.00 7.69  ? 25  ARG A C   1 
ATOM   204  O  O   . ARG A 1 25  ? 33.434 4.174   42.252 1.00 7.15  ? 25  ARG A O   1 
ATOM   205  C  CB  . ARG A 1 25  ? 36.078 6.010   42.393 1.00 7.64  ? 25  ARG A CB  1 
ATOM   206  C  CG  . ARG A 1 25  ? 37.544 5.730   42.682 1.00 12.61 ? 25  ARG A CG  1 
ATOM   207  C  CD  . ARG A 1 25  ? 38.109 6.826   43.567 1.00 13.79 ? 25  ARG A CD  1 
ATOM   208  N  NE  . ARG A 1 25  ? 37.411 6.963   44.835 1.00 16.15 ? 25  ARG A NE  1 
ATOM   209  C  CZ  . ARG A 1 25  ? 37.643 7.933   45.713 1.00 19.45 ? 25  ARG A CZ  1 
ATOM   210  N  NH1 . ARG A 1 25  ? 38.565 8.841   45.464 1.00 17.26 ? 25  ARG A NH1 1 
ATOM   211  N  NH2 . ARG A 1 25  ? 36.968 7.977   46.849 1.00 18.46 ? 25  ARG A NH2 1 
ATOM   212  N  N   . ALA A 1 26  ? 33.261 6.145   41.163 1.00 6.44  ? 26  ALA A N   1 
ATOM   213  C  CA  . ALA A 1 26  ? 31.803 6.275   41.390 1.00 5.75  ? 26  ALA A CA  1 
ATOM   214  C  C   . ALA A 1 26  ? 31.053 5.204   40.602 1.00 6.49  ? 26  ALA A C   1 
ATOM   215  O  O   . ALA A 1 26  ? 30.138 4.626   41.123 1.00 6.93  ? 26  ALA A O   1 
ATOM   216  C  CB  . ALA A 1 26  ? 31.375 7.668   40.965 1.00 6.45  ? 26  ALA A CB  1 
ATOM   217  N  N   . SER A 1 27  ? 31.494 4.980   39.380 1.00 5.91  ? 27  SER A N   1 
ATOM   218  C  CA  . SER A 1 27  ? 30.895 3.912   38.534 1.00 5.20  ? 27  SER A CA  1 
ATOM   219  C  C   . SER A 1 27  ? 31.012 2.558   39.257 1.00 7.10  ? 27  SER A C   1 
ATOM   220  O  O   . SER A 1 27  ? 30.070 1.798   39.254 1.00 6.66  ? 27  SER A O   1 
ATOM   221  C  CB  . SER A 1 27  ? 31.601 3.906   37.186 1.00 6.75  ? 27  SER A CB  1 
ATOM   222  O  OG  . SER A 1 27  ? 31.042 2.952   36.307 1.00 7.78  ? 27  SER A OG  1 
ATOM   223  N  N   . TYR A 1 28  ? 32.189 2.311   39.827 1.00 5.74  ? 28  TYR A N   1 
ATOM   224  C  CA  . TYR A 1 28  ? 32.414 1.020   40.524 1.00 4.43  ? 28  TYR A CA  1 
ATOM   225  C  C   . TYR A 1 28  ? 31.532 0.930   41.769 1.00 5.46  ? 28  TYR A C   1 
ATOM   226  O  O   . TYR A 1 28  ? 31.036 -0.121  42.054 1.00 5.92  ? 28  TYR A O   1 
ATOM   227  C  CB  . TYR A 1 28  ? 33.895 0.994   40.929 1.00 6.07  ? 28  TYR A CB  1 
ATOM   228  C  CG  . TYR A 1 28  ? 34.535 -0.326  41.267 1.00 5.04  ? 28  TYR A CG  1 
ATOM   229  C  CD1 . TYR A 1 28  ? 33.987 -1.527  40.861 1.00 8.29  ? 28  TYR A CD1 1 
ATOM   230  C  CD2 . TYR A 1 28  ? 35.720 -0.354  41.976 1.00 7.70  ? 28  TYR A CD2 1 
ATOM   231  C  CE1 . TYR A 1 28  ? 34.602 -2.727  41.168 1.00 6.65  ? 28  TYR A CE1 1 
ATOM   232  C  CE2 . TYR A 1 28  ? 36.346 -1.545  42.291 1.00 7.34  ? 28  TYR A CE2 1 
ATOM   233  C  CZ  . TYR A 1 28  ? 35.782 -2.738  41.884 1.00 5.69  ? 28  TYR A CZ  1 
ATOM   234  O  OH  . TYR A 1 28  ? 36.383 -3.925  42.176 1.00 7.00  ? 28  TYR A OH  1 
ATOM   235  N  N   . THR A 1 29  ? 31.412 2.046   42.479 1.00 6.19  ? 29  THR A N   1 
ATOM   236  C  CA  . THR A 1 29  ? 30.486 2.087   43.632 1.00 5.72  ? 29  THR A CA  1 
ATOM   237  C  C   . THR A 1 29  ? 29.057 1.736   43.202 1.00 4.85  ? 29  THR A C   1 
ATOM   238  O  O   . THR A 1 29  ? 28.396 0.974   43.892 1.00 5.82  ? 29  THR A O   1 
ATOM   239  C  CB  . THR A 1 29  ? 30.530 3.485   44.264 1.00 6.59  ? 29  THR A CB  1 
ATOM   240  O  OG1 . THR A 1 29  ? 31.841 3.680   44.795 1.00 7.12  ? 29  THR A OG1 1 
ATOM   241  C  CG2 . THR A 1 29  ? 29.507 3.651   45.365 1.00 6.50  ? 29  THR A CG2 1 
ATOM   242  N  N   . TYR A 1 30  ? 28.638 2.278   42.064 1.00 5.36  ? 30  TYR A N   1 
ATOM   243  C  CA  . TYR A 1 30  ? 27.256 1.979   41.625 1.00 6.24  ? 30  TYR A CA  1 
ATOM   244  C  C   . TYR A 1 30  ? 27.106 0.521   41.148 1.00 5.92  ? 30  TYR A C   1 
ATOM   245  O  O   . TYR A 1 30  ? 26.045 -0.025  41.265 1.00 6.70  ? 30  TYR A O   1 
ATOM   246  C  CB  . TYR A 1 30  ? 26.791 3.023   40.599 1.00 5.06  ? 30  TYR A CB  1 
ATOM   247  C  CG  . TYR A 1 30  ? 26.475 4.368   41.185 1.00 5.23  ? 30  TYR A CG  1 
ATOM   248  C  CD1 . TYR A 1 30  ? 25.621 4.476   42.264 1.00 7.67  ? 30  TYR A CD1 1 
ATOM   249  C  CD2 . TYR A 1 30  ? 27.030 5.521   40.664 1.00 6.20  ? 30  TYR A CD2 1 
ATOM   250  C  CE1 . TYR A 1 30  ? 25.322 5.705   42.818 1.00 9.32  ? 30  TYR A CE1 1 
ATOM   251  C  CE2 . TYR A 1 30  ? 26.734 6.760   41.201 1.00 7.75  ? 30  TYR A CE2 1 
ATOM   252  C  CZ  . TYR A 1 30  ? 25.874 6.850   42.278 1.00 9.18  ? 30  TYR A CZ  1 
ATOM   253  O  OH  . TYR A 1 30  ? 25.568 8.055   42.829 1.00 10.83 ? 30  TYR A OH  1 
ATOM   254  N  N   . LEU A 1 31  ? 28.180 -0.032  40.594 1.00 5.37  ? 31  LEU A N   1 
ATOM   255  C  CA  . LEU A 1 31  ? 28.112 -1.464  40.212 1.00 5.15  ? 31  LEU A CA  1 
ATOM   256  C  C   . LEU A 1 31  ? 27.879 -2.295  41.485 1.00 5.01  ? 31  LEU A C   1 
ATOM   257  O  O   . LEU A 1 31  ? 27.089 -3.227  41.451 1.00 6.75  ? 31  LEU A O   1 
ATOM   258  C  CB  . LEU A 1 31  ? 29.441 -1.838  39.542 1.00 6.16  ? 31  LEU A CB  1 
ATOM   259  C  CG  . LEU A 1 31  ? 29.577 -3.292  39.102 1.00 6.95  ? 31  LEU A CG  1 
ATOM   260  C  CD1 . LEU A 1 31  ? 28.663 -3.569  37.920 1.00 7.69  ? 31  LEU A CD1 1 
ATOM   261  C  CD2 . LEU A 1 31  ? 31.021 -3.597  38.739 1.00 6.89  ? 31  LEU A CD2 1 
ATOM   262  N  N   . SER A 1 32  ? 28.590 -1.946  42.549 1.00 6.06  ? 32  SER A N   1 
ATOM   263  C  CA  . SER A 1 32  ? 28.441 -2.696  43.817 1.00 4.21  ? 32  SER A CA  1 
ATOM   264  C  C   . SER A 1 32  ? 27.047 -2.477  44.408 1.00 5.54  ? 32  SER A C   1 
ATOM   265  O  O   . SER A 1 32  ? 26.435 -3.419  44.849 1.00 7.20  ? 32  SER A O   1 
ATOM   266  C  CB  . SER A 1 32  ? 29.505 -2.247  44.802 1.00 5.28  ? 32  SER A CB  1 
ATOM   267  O  OG  . SER A 1 32  ? 29.324 -2.865  46.061 1.00 6.46  ? 32  SER A OG  1 
ATOM   268  N  N   . LEU A 1 33  ? 26.581 -1.240  44.376 1.00 6.21  ? 33  LEU A N   1 
ATOM   269  C  CA  . LEU A 1 33  ? 25.205 -0.993  44.874 1.00 6.71  ? 33  LEU A CA  1 
ATOM   270  C  C   . LEU A 1 33  ? 24.181 -1.798  44.074 1.00 6.77  ? 33  LEU A C   1 
ATOM   271  O  O   . LEU A 1 33  ? 23.306 -2.408  44.666 1.00 6.97  ? 33  LEU A O   1 
ATOM   272  C  CB  . LEU A 1 33  ? 24.936 0.504   44.721 1.00 6.85  ? 33  LEU A CB  1 
ATOM   273  C  CG  . LEU A 1 33  ? 25.367 1.351   45.918 1.00 6.88  ? 33  LEU A CG  1 
ATOM   274  C  CD1 . LEU A 1 33  ? 25.582 2.804   45.507 1.00 7.58  ? 33  LEU A CD1 1 
ATOM   275  C  CD2 . LEU A 1 33  ? 24.320 1.265   47.018 1.00 8.21  ? 33  LEU A CD2 1 
ATOM   276  N  N   . GLY A 1 34  ? 24.340 -1.786  42.770 1.00 5.80  ? 34  GLY A N   1 
ATOM   277  C  CA  . GLY A 1 34  ? 23.362 -2.495  41.932 1.00 7.70  ? 34  GLY A CA  1 
ATOM   278  C  C   . GLY A 1 34  ? 23.296 -3.980  42.249 1.00 6.35  ? 34  GLY A C   1 
ATOM   279  O  O   . GLY A 1 34  ? 22.223 -4.521  42.383 1.00 7.88  ? 34  GLY A O   1 
ATOM   280  N  N   . PHE A 1 35  ? 24.454 -4.588  42.369 1.00 6.25  ? 35  PHE A N   1 
ATOM   281  C  CA  . PHE A 1 35  ? 24.450 -6.058  42.563 1.00 6.77  ? 35  PHE A CA  1 
ATOM   282  C  C   . PHE A 1 35  ? 24.020 -6.432  43.987 1.00 7.98  ? 35  PHE A C   1 
ATOM   283  O  O   . PHE A 1 35  ? 23.491 -7.507  44.158 1.00 7.86  ? 35  PHE A O   1 
ATOM   284  C  CB  . PHE A 1 35  ? 25.785 -6.652  42.068 1.00 7.81  ? 35  PHE A CB  1 
ATOM   285  C  CG  . PHE A 1 35  ? 25.726 -6.916  40.588 1.00 7.26  ? 35  PHE A CG  1 
ATOM   286  C  CD1 . PHE A 1 35  ? 25.053 -8.022  40.102 1.00 7.56  ? 35  PHE A CD1 1 
ATOM   287  C  CD2 . PHE A 1 35  ? 26.247 -6.007  39.685 1.00 8.20  ? 35  PHE A CD2 1 
ATOM   288  C  CE1 . PHE A 1 35  ? 24.945 -8.239  38.740 1.00 9.24  ? 35  PHE A CE1 1 
ATOM   289  C  CE2 . PHE A 1 35  ? 26.139 -6.223  38.322 1.00 11.02 ? 35  PHE A CE2 1 
ATOM   290  C  CZ  . PHE A 1 35  ? 25.481 -7.335  37.853 1.00 9.05  ? 35  PHE A CZ  1 
ATOM   291  N  N   . TYR A 1 36  ? 24.245 -5.524  44.939 1.00 5.94  ? 36  TYR A N   1 
ATOM   292  C  CA  . TYR A 1 36  ? 23.766 -5.774  46.316 1.00 5.97  ? 36  TYR A CA  1 
ATOM   293  C  C   . TYR A 1 36  ? 22.241 -5.923  46.286 1.00 6.29  ? 36  TYR A C   1 
ATOM   294  O  O   . TYR A 1 36  ? 21.716 -6.793  46.924 1.00 6.39  ? 36  TYR A O   1 
ATOM   295  C  CB  . TYR A 1 36  ? 24.222 -4.627  47.230 1.00 5.68  ? 36  TYR A CB  1 
ATOM   296  C  CG  . TYR A 1 36  ? 23.528 -4.572  48.565 1.00 5.55  ? 36  TYR A CG  1 
ATOM   297  C  CD1 . TYR A 1 36  ? 23.905 -5.416  49.590 1.00 6.60  ? 36  TYR A CD1 1 
ATOM   298  C  CD2 . TYR A 1 36  ? 22.496 -3.681  48.794 1.00 7.75  ? 36  TYR A CD2 1 
ATOM   299  C  CE1 . TYR A 1 36  ? 23.272 -5.380  50.818 1.00 6.57  ? 36  TYR A CE1 1 
ATOM   300  C  CE2 . TYR A 1 36  ? 21.846 -3.637  50.013 1.00 6.57  ? 36  TYR A CE2 1 
ATOM   301  C  CZ  . TYR A 1 36  ? 22.235 -4.492  51.025 1.00 7.56  ? 36  TYR A CZ  1 
ATOM   302  O  OH  . TYR A 1 36  ? 21.601 -4.449  52.229 1.00 8.97  ? 36  TYR A OH  1 
ATOM   303  N  N   . PHE A 1 37  ? 21.588 -5.057  45.527 1.00 6.45  ? 37  PHE A N   1 
ATOM   304  C  CA  . PHE A 1 37  ? 20.096 -5.055  45.512 1.00 4.99  ? 37  PHE A CA  1 
ATOM   305  C  C   . PHE A 1 37  ? 19.557 -6.213  44.658 1.00 6.78  ? 37  PHE A C   1 
ATOM   306  O  O   . PHE A 1 37  ? 18.373 -6.467  44.722 1.00 7.52  ? 37  PHE A O   1 
ATOM   307  C  CB  . PHE A 1 37  ? 19.559 -3.661  45.124 1.00 6.95  ? 37  PHE A CB  1 
ATOM   308  C  CG  . PHE A 1 37  ? 19.621 -2.666  46.253 1.00 5.61  ? 37  PHE A CG  1 
ATOM   309  C  CD1 . PHE A 1 37  ? 18.683 -2.685  47.268 1.00 5.84  ? 37  PHE A CD1 1 
ATOM   310  C  CD2 . PHE A 1 37  ? 20.633 -1.725  46.315 1.00 5.32  ? 37  PHE A CD2 1 
ATOM   311  C  CE1 . PHE A 1 37  ? 18.757 -1.792  48.323 1.00 6.17  ? 37  PHE A CE1 1 
ATOM   312  C  CE2 . PHE A 1 37  ? 20.704 -0.830  47.368 1.00 6.18  ? 37  PHE A CE2 1 
ATOM   313  C  CZ  . PHE A 1 37  ? 19.768 -0.865  48.372 1.00 5.88  ? 37  PHE A CZ  1 
ATOM   314  N  N   . ASP A 1 38  ? 20.434 -6.915  43.945 1.00 6.69  ? 38  ASP A N   1 
ATOM   315  C  CA  . ASP A 1 38  ? 20.049 -8.127  43.182 1.00 7.34  ? 38  ASP A CA  1 
ATOM   316  C  C   . ASP A 1 38  ? 20.246 -9.397  44.035 1.00 6.86  ? 38  ASP A C   1 
ATOM   317  O  O   . ASP A 1 38  ? 19.894 -10.470 43.594 1.00 7.93  ? 38  ASP A O   1 
ATOM   318  C  CB  . ASP A 1 38  ? 20.868 -8.174  41.895 1.00 6.31  ? 38  ASP A CB  1 
ATOM   319  C  CG  . ASP A 1 38  ? 20.621 -9.429  41.079 1.00 8.63  ? 38  ASP A CG  1 
ATOM   320  O  OD1 . ASP A 1 38  ? 19.462 -9.661  40.725 1.00 11.65 ? 38  ASP A OD1 1 
ATOM   321  O  OD2 . ASP A 1 38  ? 21.588 -10.153 40.827 1.00 8.42  ? 38  ASP A OD2 1 
ATOM   322  N  N   . ARG A 1 39  ? 20.814 -9.247  45.220 1.00 5.54  ? 39  ARG A N   1 
ATOM   323  C  CA  . ARG A 1 39  ? 20.963 -10.407 46.125 1.00 5.98  ? 39  ARG A CA  1 
ATOM   324  C  C   . ARG A 1 39  ? 19.579 -10.984 46.420 1.00 8.68  ? 39  ARG A C   1 
ATOM   325  O  O   . ARG A 1 39  ? 18.634 -10.235 46.572 1.00 7.01  ? 39  ARG A O   1 
ATOM   326  C  CB  . ARG A 1 39  ? 21.580 -10.012 47.469 1.00 6.28  ? 39  ARG A CB  1 
ATOM   327  C  CG  . ARG A 1 39  ? 23.075 -9.736  47.394 1.00 7.18  ? 39  ARG A CG  1 
ATOM   328  C  CD  . ARG A 1 39  ? 23.668 -9.133  48.652 1.00 8.15  ? 39  ARG A CD  1 
ATOM   329  N  NE  . ARG A 1 39  ? 23.242 -9.739  49.904 1.00 15.79 ? 39  ARG A NE  1 
ATOM   330  C  CZ  . ARG A 1 39  ? 23.844 -9.552  51.076 1.00 15.17 ? 39  ARG A CZ  1 
ATOM   331  N  NH1 . ARG A 1 39  ? 24.925 -8.796  51.166 1.00 17.27 ? 39  ARG A NH1 1 
ATOM   332  N  NH2 . ARG A 1 39  ? 23.369 -10.137 52.160 1.00 18.45 ? 39  ARG A NH2 1 
ATOM   333  N  N   . ASP A 1 40  ? 19.529 -12.304 46.531 1.00 6.62  ? 40  ASP A N   1 
ATOM   334  C  CA  . ASP A 1 40  ? 18.228 -12.959 46.821 1.00 6.97  ? 40  ASP A CA  1 
ATOM   335  C  C   . ASP A 1 40  ? 17.667 -12.508 48.176 1.00 6.74  ? 40  ASP A C   1 
ATOM   336  O  O   . ASP A 1 40  ? 16.473 -12.581 48.353 1.00 7.23  ? 40  ASP A O   1 
ATOM   337  C  CB  . ASP A 1 40  ? 18.316 -14.496 46.761 1.00 7.01  ? 40  ASP A CB  1 
ATOM   338  C  CG  . ASP A 1 40  ? 19.062 -15.133 47.917 1.00 8.72  ? 40  ASP A CG  1 
ATOM   339  O  OD1 . ASP A 1 40  ? 20.281 -15.287 47.804 1.00 9.31  ? 40  ASP A OD1 1 
ATOM   340  O  OD2 . ASP A 1 40  ? 18.409 -15.479 48.901 1.00 8.39  ? 40  ASP A OD2 1 
ATOM   341  N  N   . ASP A 1 41  ? 18.537 -12.070 49.081 1.00 5.59  ? 41  ASP A N   1 
ATOM   342  C  CA  . ASP A 1 41  ? 18.079 -11.664 50.442 1.00 8.40  ? 41  ASP A CA  1 
ATOM   343  C  C   . ASP A 1 41  ? 17.863 -10.147 50.519 1.00 6.12  ? 41  ASP A C   1 
ATOM   344  O  O   . ASP A 1 41  ? 17.691 -9.656  51.618 1.00 7.81  ? 41  ASP A O   1 
ATOM   345  C  CB  . ASP A 1 41  ? 19.003 -12.172 51.548 1.00 7.77  ? 41  ASP A CB  1 
ATOM   346  C  CG  . ASP A 1 41  ? 20.446 -11.724 51.419 1.00 9.01  ? 41  ASP A CG  1 
ATOM   347  O  OD1 . ASP A 1 41  ? 20.752 -11.035 50.450 1.00 9.90  ? 41  ASP A OD1 1 
ATOM   348  O  OD2 . ASP A 1 41  ? 21.238 -12.090 52.293 1.00 13.19 ? 41  ASP A OD2 1 
ATOM   349  N  N   . VAL A 1 42  ? 17.874 -9.467  49.368 1.00 6.11  ? 42  VAL A N   1 
ATOM   350  C  CA  . VAL A 1 42  ? 17.584 -7.998  49.316 1.00 6.95  ? 42  VAL A CA  1 
ATOM   351  C  C   . VAL A 1 42  ? 16.462 -7.868  48.287 1.00 7.01  ? 42  VAL A C   1 
ATOM   352  O  O   . VAL A 1 42  ? 15.396 -7.407  48.642 1.00 7.14  ? 42  VAL A O   1 
ATOM   353  C  CB  . VAL A 1 42  ? 18.853 -7.224  48.922 1.00 6.70  ? 42  VAL A CB  1 
ATOM   354  C  CG1 . VAL A 1 42  ? 18.570 -5.737  48.757 1.00 7.66  ? 42  VAL A CG1 1 
ATOM   355  C  CG2 . VAL A 1 42  ? 19.980 -7.427  49.925 1.00 8.00  ? 42  VAL A CG2 1 
ATOM   356  N  N   . ALA A 1 43  ? 16.741 -8.280  47.046 1.00 6.16  ? 43  ALA A N   1 
ATOM   357  C  CA  . ALA A 1 43  ? 15.681 -8.472  46.029 1.00 5.12  ? 43  ALA A CA  1 
ATOM   358  C  C   . ALA A 1 43  ? 14.802 -7.242  45.805 1.00 6.26  ? 43  ALA A C   1 
ATOM   359  O  O   . ALA A 1 43  ? 13.622 -7.337  45.971 1.00 7.24  ? 43  ALA A O   1 
ATOM   360  C  CB  . ALA A 1 43  ? 14.873 -9.704  46.422 1.00 7.77  ? 43  ALA A CB  1 
ATOM   361  N  N   . LEU A 1 44  ? 15.412 -6.154  45.371 1.00 6.88  ? 44  LEU A N   1 
ATOM   362  C  CA  . LEU A 1 44  ? 14.675 -4.910  45.055 1.00 5.53  ? 44  LEU A CA  1 
ATOM   363  C  C   . LEU A 1 44  ? 15.116 -4.537  43.641 1.00 6.01  ? 44  LEU A C   1 
ATOM   364  O  O   . LEU A 1 44  ? 16.056 -3.780  43.494 1.00 6.70  ? 44  LEU A O   1 
ATOM   365  C  CB  . LEU A 1 44  ? 14.985 -3.831  46.097 1.00 5.97  ? 44  LEU A CB  1 
ATOM   366  C  CG  . LEU A 1 44  ? 14.381 -4.121  47.468 1.00 6.06  ? 44  LEU A CG  1 
ATOM   367  C  CD1 . LEU A 1 44  ? 14.993 -3.234  48.534 1.00 7.92  ? 44  LEU A CD1 1 
ATOM   368  C  CD2 . LEU A 1 44  ? 12.867 -3.957  47.430 1.00 7.42  ? 44  LEU A CD2 1 
ATOM   369  N  N   . GLU A 1 45  ? 14.447 -5.107  42.654 1.00 5.99  ? 45  GLU A N   1 
ATOM   370  C  CA  . GLU A 1 45  ? 14.880 -4.952  41.236 1.00 6.43  ? 45  GLU A CA  1 
ATOM   371  C  C   . GLU A 1 45  ? 14.976 -3.493  40.795 1.00 7.41  ? 45  GLU A C   1 
ATOM   372  O  O   . GLU A 1 45  ? 15.865 -3.158  40.071 1.00 7.93  ? 45  GLU A O   1 
ATOM   373  C  CB  . GLU A 1 45  ? 13.912 -5.732  40.332 1.00 9.49  ? 45  GLU A CB  1 
ATOM   374  C  CG  . GLU A 1 45  ? 14.274 -5.685  38.859 1.00 12.81 ? 45  GLU A CG  1 
ATOM   375  C  CD  . GLU A 1 45  ? 13.336 -6.448  37.938 1.00 28.77 ? 45  GLU A CD  1 
ATOM   376  O  OE1 . GLU A 1 45  ? 12.760 -7.448  38.386 1.00 20.15 ? 45  GLU A OE1 1 
ATOM   377  O  OE2 . GLU A 1 45  ? 13.188 -6.034  36.777 1.00 34.85 ? 45  GLU A OE2 1 
ATOM   378  N  N   . GLY A 1 46  ? 13.994 -2.703  41.174 1.00 5.43  ? 46  GLY A N   1 
ATOM   379  C  CA  . GLY A 1 46  ? 14.046 -1.310  40.696 1.00 7.18  ? 46  GLY A CA  1 
ATOM   380  C  C   . GLY A 1 46  ? 15.234 -0.546  41.258 1.00 5.96  ? 46  GLY A C   1 
ATOM   381  O  O   . GLY A 1 46  ? 15.723 0.341   40.603 1.00 8.11  ? 46  GLY A O   1 
ATOM   382  N  N   . VAL A 1 47  ? 15.624 -0.899  42.465 1.00 6.43  ? 47  VAL A N   1 
ATOM   383  C  CA  . VAL A 1 47  ? 16.796 -0.236  43.099 1.00 4.72  ? 47  VAL A CA  1 
ATOM   384  C  C   . VAL A 1 47  ? 18.067 -0.732  42.395 1.00 7.56  ? 47  VAL A C   1 
ATOM   385  O  O   . VAL A 1 47  ? 18.929 0.047   42.071 1.00 6.57  ? 47  VAL A O   1 
ATOM   386  C  CB  . VAL A 1 47  ? 16.835 -0.552  44.605 1.00 5.11  ? 47  VAL A CB  1 
ATOM   387  C  CG1 . VAL A 1 47  ? 17.912 0.266   45.299 1.00 5.96  ? 47  VAL A CG1 1 
ATOM   388  C  CG2 . VAL A 1 47  ? 15.488 -0.266  45.259 1.00 6.87  ? 47  VAL A CG2 1 
ATOM   389  N  N   . CYS A 1 48  ? 18.134 -2.024  42.157 1.00 6.47  ? 48  CYS A N   1 
ATOM   390  C  CA  . CYS A 1 48  ? 19.275 -2.569  41.387 1.00 6.72  ? 48  CYS A CA  1 
ATOM   391  C  C   . CYS A 1 48  ? 19.411 -1.842  40.041 1.00 7.10  ? 48  CYS A C   1 
ATOM   392  O  O   . CYS A 1 48  ? 20.492 -1.473  39.670 1.00 7.42  ? 48  CYS A O   1 
ATOM   393  C  CB  . CYS A 1 48  ? 18.948 -4.045  41.201 1.00 6.57  ? 48  CYS A CB  1 
ATOM   394  S  SG  . CYS A 1 48  ? 20.016 -4.867  39.982 1.00 8.24  ? 48  CYS A SG  1 
ATOM   395  N  N   . HIS A 1 49  ? 18.289 -1.790  39.335 1.00 6.07  ? 49  HIS A N   1 
ATOM   396  C  CA  A HIS A 1 49  ? 18.328 -1.128  38.005 0.46 6.43  ? 49  HIS A CA  1 
ATOM   397  C  CA  B HIS A 1 49  ? 18.319 -1.130  38.002 0.54 6.41  ? 49  HIS A CA  1 
ATOM   398  C  C   . HIS A 1 49  ? 18.732 0.365   38.023 1.00 7.07  ? 49  HIS A C   1 
ATOM   399  O  O   . HIS A 1 49  ? 19.523 0.903   37.224 1.00 7.00  ? 49  HIS A O   1 
ATOM   400  C  CB  A HIS A 1 49  ? 16.998 -1.343  37.278 0.46 9.02  ? 49  HIS A CB  1 
ATOM   401  C  CB  B HIS A 1 49  ? 16.962 -1.279  37.304 0.54 8.95  ? 49  HIS A CB  1 
ATOM   402  C  CG  A HIS A 1 49  ? 16.993 -2.704  36.676 0.46 15.81 ? 49  HIS A CG  1 
ATOM   403  C  CG  B HIS A 1 49  ? 16.727 -2.667  36.821 0.54 17.56 ? 49  HIS A CG  1 
ATOM   404  N  ND1 A HIS A 1 49  ? 17.426 -2.941  35.390 0.46 20.63 ? 49  HIS A ND1 1 
ATOM   405  N  ND1 B HIS A 1 49  ? 15.596 -3.026  36.117 0.54 21.61 ? 49  HIS A ND1 1 
ATOM   406  C  CD2 A HIS A 1 49  ? 16.719 -3.908  37.214 0.46 17.85 ? 49  HIS A CD2 1 
ATOM   407  C  CD2 B HIS A 1 49  ? 17.469 -3.784  36.952 0.54 14.79 ? 49  HIS A CD2 1 
ATOM   408  C  CE1 A HIS A 1 49  ? 17.360 -4.232  35.141 0.46 18.43 ? 49  HIS A CE1 1 
ATOM   409  C  CE1 B HIS A 1 49  ? 15.660 -4.308  35.825 0.54 15.99 ? 49  HIS A CE1 1 
ATOM   410  N  NE2 A HIS A 1 49  ? 16.924 -4.841  36.244 0.46 19.60 ? 49  HIS A NE2 1 
ATOM   411  N  NE2 B HIS A 1 49  ? 16.800 -4.792  36.325 0.54 19.61 ? 49  HIS A NE2 1 
ATOM   412  N  N   . PHE A 1 50  ? 18.252 1.011   39.074 1.00 6.85  ? 50  PHE A N   1 
ATOM   413  C  CA  . PHE A 1 50  ? 18.609 2.437   39.239 1.00 6.85  ? 50  PHE A CA  1 
ATOM   414  C  C   . PHE A 1 50  ? 20.127 2.583   39.364 1.00 5.05  ? 50  PHE A C   1 
ATOM   415  O  O   . PHE A 1 50  ? 20.713 3.410   38.728 1.00 6.40  ? 50  PHE A O   1 
ATOM   416  C  CB  . PHE A 1 50  ? 17.877 2.986   40.467 1.00 6.12  ? 50  PHE A CB  1 
ATOM   417  C  CG  . PHE A 1 50  ? 18.169 4.420   40.823 1.00 6.69  ? 50  PHE A CG  1 
ATOM   418  C  CD1 . PHE A 1 50  ? 17.577 5.453   40.121 1.00 8.85  ? 50  PHE A CD1 1 
ATOM   419  C  CD2 . PHE A 1 50  ? 19.005 4.733   41.879 1.00 8.14  ? 50  PHE A CD2 1 
ATOM   420  C  CE1 . PHE A 1 50  ? 17.834 6.772   40.455 1.00 9.02  ? 50  PHE A CE1 1 
ATOM   421  C  CE2 . PHE A 1 50  ? 19.266 6.052   42.207 1.00 8.65  ? 50  PHE A CE2 1 
ATOM   422  C  CZ  . PHE A 1 50  ? 18.675 7.068   41.498 1.00 8.85  ? 50  PHE A CZ  1 
ATOM   423  N  N   . PHE A 1 51  ? 20.702 1.783   40.223 1.00 5.83  ? 51  PHE A N   1 
ATOM   424  C  CA  . PHE A 1 51  ? 22.156 1.953   40.456 1.00 5.70  ? 51  PHE A CA  1 
ATOM   425  C  C   . PHE A 1 51  ? 23.008 1.412   39.298 1.00 5.97  ? 51  PHE A C   1 
ATOM   426  O  O   . PHE A 1 51  ? 24.045 1.966   39.028 1.00 6.48  ? 51  PHE A O   1 
ATOM   427  C  CB  . PHE A 1 51  ? 22.540 1.347   41.817 1.00 4.50  ? 51  PHE A CB  1 
ATOM   428  C  CG  . PHE A 1 51  ? 22.041 2.144   42.994 1.00 5.31  ? 51  PHE A CG  1 
ATOM   429  C  CD1 . PHE A 1 51  ? 22.303 3.500   43.087 1.00 7.73  ? 51  PHE A CD1 1 
ATOM   430  C  CD2 . PHE A 1 51  ? 21.313 1.548   44.009 1.00 5.67  ? 51  PHE A CD2 1 
ATOM   431  C  CE1 . PHE A 1 51  ? 21.849 4.234   44.166 1.00 7.36  ? 51  PHE A CE1 1 
ATOM   432  C  CE2 . PHE A 1 51  ? 20.854 2.288   45.087 1.00 7.05  ? 51  PHE A CE2 1 
ATOM   433  C  CZ  . PHE A 1 51  ? 21.124 3.631   45.163 1.00 7.71  ? 51  PHE A CZ  1 
ATOM   434  N  N   . ARG A 1 52  ? 22.561 0.332   38.682 1.00 6.38  ? 52  ARG A N   1 
ATOM   435  C  CA  . ARG A 1 52  ? 23.309 -0.167  37.504 1.00 5.63  ? 52  ARG A CA  1 
ATOM   436  C  C   . ARG A 1 52  ? 23.291 0.870   36.379 1.00 6.71  ? 52  ARG A C   1 
ATOM   437  O  O   . ARG A 1 52  ? 24.271 1.003   35.682 1.00 8.79  ? 52  ARG A O   1 
ATOM   438  C  CB  . ARG A 1 52  ? 22.681 -1.474  37.008 1.00 7.67  ? 52  ARG A CB  1 
ATOM   439  C  CG  . ARG A 1 52  ? 23.008 -2.680  37.880 1.00 9.82  ? 52  ARG A CG  1 
ATOM   440  C  CD  . ARG A 1 52  ? 22.553 -4.029  37.343 1.00 12.35 ? 52  ARG A CD  1 
ATOM   441  N  NE  . ARG A 1 52  ? 23.137 -4.318  36.042 1.00 12.63 ? 52  ARG A NE  1 
ATOM   442  C  CZ  . ARG A 1 52  ? 22.539 -4.987  35.065 1.00 19.17 ? 52  ARG A CZ  1 
ATOM   443  N  NH1 . ARG A 1 52  ? 21.325 -5.483  35.231 1.00 20.78 ? 52  ARG A NH1 1 
ATOM   444  N  NH2 . ARG A 1 52  ? 23.165 -5.164  33.917 1.00 21.99 ? 52  ARG A NH2 1 
ATOM   445  N  N   . GLU A 1 53  ? 22.181 1.585   36.236 1.00 7.91  ? 53  GLU A N   1 
ATOM   446  C  CA  . GLU A 1 53  ? 22.106 2.638   35.201 1.00 6.89  ? 53  GLU A CA  1 
ATOM   447  C  C   . GLU A 1 53  ? 23.091 3.758   35.557 1.00 8.17  ? 53  GLU A C   1 
ATOM   448  O  O   . GLU A 1 53  ? 23.742 4.279   34.684 1.00 8.92  ? 53  GLU A O   1 
ATOM   449  C  CB  . GLU A 1 53  ? 20.671 3.174   35.124 1.00 8.17  ? 53  GLU A CB  1 
ATOM   450  C  CG  . GLU A 1 53  ? 19.683 2.226   34.481 1.00 18.40 ? 53  GLU A CG  1 
ATOM   451  C  CD  . GLU A 1 53  ? 18.224 2.480   34.838 1.00 31.83 ? 53  GLU A CD  1 
ATOM   452  O  OE1 . GLU A 1 53  ? 17.921 3.548   35.408 1.00 30.30 ? 53  GLU A OE1 1 
ATOM   453  O  OE2 . GLU A 1 53  ? 17.394 1.595   34.545 1.00 31.85 ? 53  GLU A OE2 1 
ATOM   454  N  N   . LEU A 1 54  ? 23.185 4.048   36.838 1.00 6.28  ? 54  LEU A N   1 
ATOM   455  C  CA  . LEU A 1 54  ? 24.116 5.126   37.254 1.00 7.39  ? 54  LEU A CA  1 
ATOM   456  C  C   . LEU A 1 54  ? 25.577 4.674   37.061 1.00 7.76  ? 54  LEU A C   1 
ATOM   457  O  O   . LEU A 1 54  ? 26.402 5.502   36.766 1.00 7.25  ? 54  LEU A O   1 
ATOM   458  C  CB  . LEU A 1 54  ? 23.821 5.518   38.706 1.00 6.23  ? 54  LEU A CB  1 
ATOM   459  C  CG  . LEU A 1 54  ? 22.638 6.459   38.883 1.00 8.72  ? 54  LEU A CG  1 
ATOM   460  C  CD1 . LEU A 1 54  ? 22.280 6.582   40.352 1.00 12.36 ? 54  LEU A CD1 1 
ATOM   461  C  CD2 . LEU A 1 54  ? 22.974 7.819   38.299 1.00 19.66 ? 54  LEU A CD2 1 
ATOM   462  N  N   . ALA A 1 55  ? 25.854 3.375   37.206 1.00 6.32  ? 55  ALA A N   1 
ATOM   463  C  CA  . ALA A 1 55  ? 27.233 2.910   36.961 1.00 7.05  ? 55  ALA A CA  1 
ATOM   464  C  C   . ALA A 1 55  ? 27.592 3.238   35.513 1.00 8.97  ? 55  ALA A C   1 
ATOM   465  O  O   . ALA A 1 55  ? 28.688 3.691   35.239 1.00 8.47  ? 55  ALA A O   1 
ATOM   466  C  CB  . ALA A 1 55  ? 27.319 1.421   37.213 1.00 7.04  ? 55  ALA A CB  1 
ATOM   467  N  N   . PHE A 1 56  ? 26.650 3.008   34.621 1.00 6.41  ? 56  PHE A N   1 
ATOM   468  C  CA  . PHE A 1 56  ? 26.938 3.285   33.200 1.00 7.53  ? 56  PHE A CA  1 
ATOM   469  C  C   . PHE A 1 56  ? 27.080 4.799   32.976 1.00 9.05  ? 56  PHE A C   1 
ATOM   470  O  O   . PHE A 1 56  ? 27.930 5.233   32.251 1.00 8.07  ? 56  PHE A O   1 
ATOM   471  C  CB  . PHE A 1 56  ? 25.811 2.708   32.342 1.00 8.99  ? 56  PHE A CB  1 
ATOM   472  C  CG  . PHE A 1 56  ? 25.964 2.999   30.875 1.00 15.60 ? 56  PHE A CG  1 
ATOM   473  C  CD1 . PHE A 1 56  ? 27.054 2.516   30.177 1.00 26.23 ? 56  PHE A CD1 1 
ATOM   474  C  CD2 . PHE A 1 56  ? 25.042 3.784   30.212 1.00 22.41 ? 56  PHE A CD2 1 
ATOM   475  C  CE1 . PHE A 1 56  ? 27.202 2.788   28.827 1.00 29.65 ? 56  PHE A CE1 1 
ATOM   476  C  CE2 . PHE A 1 56  ? 25.190 4.052   28.862 1.00 20.18 ? 56  PHE A CE2 1 
ATOM   477  C  CZ  . PHE A 1 56  ? 26.265 3.552   28.177 1.00 18.47 ? 56  PHE A CZ  1 
ATOM   478  N  N   . GLU A 1 57  ? 26.192 5.559   33.594 1.00 8.06  ? 57  GLU A N   1 
ATOM   479  C  CA  . GLU A 1 57  ? 26.248 7.029   33.412 1.00 7.66  ? 57  GLU A CA  1 
ATOM   480  C  C   . GLU A 1 57  ? 27.594 7.604   33.887 1.00 7.04  ? 57  GLU A C   1 
ATOM   481  O  O   . GLU A 1 57  ? 28.130 8.469   33.235 1.00 8.90  ? 57  GLU A O   1 
ATOM   482  C  CB  . GLU A 1 57  ? 25.068 7.695   34.126 1.00 7.59  ? 57  GLU A CB  1 
ATOM   483  C  CG  . GLU A 1 57  ? 23.738 7.415   33.457 1.00 12.87 ? 57  GLU A CG  1 
ATOM   484  C  CD  . GLU A 1 57  ? 22.515 7.986   34.148 1.00 22.24 ? 57  GLU A CD  1 
ATOM   485  O  OE1 . GLU A 1 57  ? 22.676 8.843   35.029 1.00 24.04 ? 57  GLU A OE1 1 
ATOM   486  O  OE2 . GLU A 1 57  ? 21.403 7.587   33.774 1.00 24.73 ? 57  GLU A OE2 1 
ATOM   487  N  N   . LYS A 1 58  ? 28.067 7.130   35.025 1.00 6.63  ? 58  LYS A N   1 
ATOM   488  C  CA  . LYS A 1 58  ? 29.355 7.639   35.545 1.00 6.05  ? 58  LYS A CA  1 
ATOM   489  C  C   . LYS A 1 58  ? 30.498 7.191   34.632 1.00 7.58  ? 58  LYS A C   1 
ATOM   490  O  O   . LYS A 1 58  ? 31.422 7.948   34.430 1.00 7.27  ? 58  LYS A O   1 
ATOM   491  C  CB  . LYS A 1 58  ? 29.571 7.134   36.974 1.00 5.40  ? 58  LYS A CB  1 
ATOM   492  C  CG  . LYS A 1 58  ? 28.639 7.729   38.016 1.00 5.73  ? 58  LYS A CG  1 
ATOM   493  C  CD  . LYS A 1 58  ? 28.602 9.242   37.960 1.00 10.39 ? 58  LYS A CD  1 
ATOM   494  C  CE  . LYS A 1 58  ? 27.316 9.800   38.517 1.00 21.78 ? 58  LYS A CE  1 
ATOM   495  N  NZ  . LYS A 1 58  ? 27.159 11.243  38.220 1.00 14.94 ? 58  LYS A NZ  1 
ATOM   496  N  N   . PHE A 1 59  ? 30.405 5.973   34.114 1.00 6.35  ? 59  PHE A N   1 
ATOM   497  C  CA  . PHE A 1 59  ? 31.440 5.529   33.149 1.00 7.30  ? 59  PHE A CA  1 
ATOM   498  C  C   . PHE A 1 59  ? 31.447 6.447   31.921 1.00 7.46  ? 59  PHE A C   1 
ATOM   499  O  O   . PHE A 1 59  ? 32.490 6.821   31.427 1.00 6.64  ? 59  PHE A O   1 
ATOM   500  C  CB  . PHE A 1 59  ? 31.207 4.072   32.725 1.00 7.06  ? 59  PHE A CB  1 
ATOM   501  C  CG  . PHE A 1 59  ? 32.126 3.731   31.588 1.00 7.12  ? 59  PHE A CG  1 
ATOM   502  C  CD1 . PHE A 1 59  ? 33.485 3.632   31.812 1.00 9.53  ? 59  PHE A CD1 1 
ATOM   503  C  CD2 . PHE A 1 59  ? 31.656 3.669   30.289 1.00 10.44 ? 59  PHE A CD2 1 
ATOM   504  C  CE1 . PHE A 1 59  ? 34.353 3.399   30.760 1.00 10.29 ? 59  PHE A CE1 1 
ATOM   505  C  CE2 . PHE A 1 59  ? 32.528 3.443   29.240 1.00 18.52 ? 59  PHE A CE2 1 
ATOM   506  C  CZ  . PHE A 1 59  ? 33.871 3.303   29.479 1.00 13.81 ? 59  PHE A CZ  1 
ATOM   507  N  N   . GLU A 1 60  ? 30.257 6.796   31.462 1.00 7.26  ? 60  GLU A N   1 
ATOM   508  C  CA  . GLU A 1 60  ? 30.180 7.650   30.252 1.00 6.82  ? 60  GLU A CA  1 
ATOM   509  C  C   . GLU A 1 60  ? 30.787 9.026   30.550 1.00 6.84  ? 60  GLU A C   1 
ATOM   510  O  O   . GLU A 1 60  ? 31.373 9.605   29.667 1.00 8.16  ? 60  GLU A O   1 
ATOM   511  C  CB  . GLU A 1 60  ? 28.723 7.751   29.788 1.00 9.75  ? 60  GLU A CB  1 
ATOM   512  C  CG  . GLU A 1 60  ? 28.170 6.426   29.297 1.00 11.98 ? 60  GLU A CG  1 
ATOM   513  C  CD  . GLU A 1 60  ? 28.723 5.963   27.962 1.00 30.30 ? 60  GLU A CD  1 
ATOM   514  O  OE1 . GLU A 1 60  ? 28.431 6.619   26.957 1.00 41.20 ? 60  GLU A OE1 1 
ATOM   515  O  OE2 . GLU A 1 60  ? 29.440 4.952   27.929 1.00 25.29 ? 60  GLU A OE2 1 
ATOM   516  N  N   . GLY A 1 61  ? 30.642 9.484   31.784 1.00 7.21  ? 61  GLY A N   1 
ATOM   517  C  CA  . GLY A 1 61  ? 31.290 10.759  32.133 1.00 6.71  ? 61  GLY A CA  1 
ATOM   518  C  C   . GLY A 1 61  ? 32.806 10.643  32.072 1.00 8.10  ? 61  GLY A C   1 
ATOM   519  O  O   . GLY A 1 61  ? 33.456 11.529  31.550 1.00 7.99  ? 61  GLY A O   1 
ATOM   520  N  N   . ALA A 1 62  ? 33.322 9.553   32.625 1.00 7.31  ? 62  ALA A N   1 
ATOM   521  C  CA  . ALA A 1 62  ? 34.775 9.313   32.519 1.00 6.47  ? 62  ALA A CA  1 
ATOM   522  C  C   . ALA A 1 62  ? 35.221 9.237   31.049 1.00 7.22  ? 62  ALA A C   1 
ATOM   523  O  O   . ALA A 1 62  ? 36.256 9.769   30.713 1.00 6.57  ? 62  ALA A O   1 
ATOM   524  C  CB  . ALA A 1 62  ? 35.124 8.041   33.259 1.00 7.43  ? 62  ALA A CB  1 
ATOM   525  N  N   . GLU A 1 63  ? 34.438 8.535   30.232 1.00 6.52  ? 63  GLU A N   1 
ATOM   526  C  CA  . GLU A 1 63  ? 34.780 8.429   28.799 1.00 6.03  ? 63  GLU A CA  1 
ATOM   527  C  C   . GLU A 1 63  ? 34.813 9.796   28.095 1.00 5.99  ? 63  GLU A C   1 
ATOM   528  O  O   . GLU A 1 63  ? 35.687 10.036  27.303 1.00 8.36  ? 63  GLU A O   1 
ATOM   529  C  CB  . GLU A 1 63  ? 33.742 7.510   28.162 1.00 7.76  ? 63  GLU A CB  1 
ATOM   530  C  CG  . GLU A 1 63  ? 34.141 6.920   26.829 1.00 13.40 ? 63  GLU A CG  1 
ATOM   531  C  CD  . GLU A 1 63  ? 33.034 6.029   26.304 1.00 26.74 ? 63  GLU A CD  1 
ATOM   532  O  OE1 . GLU A 1 63  ? 31.955 6.566   26.018 1.00 24.01 ? 63  GLU A OE1 1 
ATOM   533  O  OE2 . GLU A 1 63  ? 33.247 4.813   26.224 1.00 14.92 ? 63  GLU A OE2 1 
ATOM   534  N  N   . ARG A 1 64  ? 33.864 10.648  28.426 1.00 6.34  ? 64  ARG A N   1 
ATOM   535  C  CA  . ARG A 1 64  ? 33.839 11.995  27.810 1.00 6.87  ? 64  ARG A CA  1 
ATOM   536  C  C   . ARG A 1 64  ? 35.068 12.809  28.231 1.00 6.69  ? 64  ARG A C   1 
ATOM   537  O  O   . ARG A 1 64  ? 35.603 13.516  27.433 1.00 7.56  ? 64  ARG A O   1 
ATOM   538  C  CB  . ARG A 1 64  ? 32.528 12.699  28.176 1.00 8.26  ? 64  ARG A CB  1 
ATOM   539  C  CG  . ARG A 1 64  ? 32.318 13.967  27.368 1.00 16.96 ? 64  ARG A CG  1 
ATOM   540  C  CD  . ARG A 1 64  ? 31.093 14.734  27.798 1.00 19.02 ? 64  ARG A CD  1 
ATOM   541  N  NE  . ARG A 1 64  ? 29.888 14.033  27.394 1.00 15.83 ? 64  ARG A NE  1 
ATOM   542  C  CZ  . ARG A 1 64  ? 29.334 14.136  26.194 1.00 23.77 ? 64  ARG A CZ  1 
ATOM   543  N  NH1 . ARG A 1 64  ? 29.883 14.905  25.272 1.00 25.32 ? 64  ARG A NH1 1 
ATOM   544  N  NH2 . ARG A 1 64  ? 28.232 13.469  25.917 1.00 30.80 ? 64  ARG A NH2 1 
ATOM   545  N  N   . LEU A 1 65  ? 35.447 12.674  29.480 1.00 6.12  ? 65  LEU A N   1 
ATOM   546  C  CA  . LEU A 1 65  ? 36.636 13.398  29.969 1.00 5.09  ? 65  LEU A CA  1 
ATOM   547  C  C   . LEU A 1 65  ? 37.883 12.902  29.236 1.00 5.65  ? 65  LEU A C   1 
ATOM   548  O  O   . LEU A 1 65  ? 38.730 13.714  28.952 1.00 6.01  ? 65  LEU A O   1 
ATOM   549  C  CB  . LEU A 1 65  ? 36.756 13.154  31.481 1.00 6.13  ? 65  LEU A CB  1 
ATOM   550  C  CG  . LEU A 1 65  ? 35.806 13.977  32.352 1.00 5.94  ? 65  LEU A CG  1 
ATOM   551  C  CD1 . LEU A 1 65  ? 35.596 13.312  33.705 1.00 8.73  ? 65  LEU A CD1 1 
ATOM   552  C  CD2 . LEU A 1 65  ? 36.329 15.392  32.536 1.00 8.07  ? 65  LEU A CD2 1 
ATOM   553  N  N   . LEU A 1 66  ? 37.975 11.588  29.041 1.00 6.12  ? 66  LEU A N   1 
ATOM   554  C  CA  . LEU A 1 66  ? 39.139 11.007  28.313 1.00 5.31  ? 66  LEU A CA  1 
ATOM   555  C  C   . LEU A 1 66  ? 39.162 11.457  26.843 1.00 5.34  ? 66  LEU A C   1 
ATOM   556  O  O   . LEU A 1 66  ? 40.215 11.779  26.343 1.00 6.01  ? 66  LEU A O   1 
ATOM   557  C  CB  . LEU A 1 66  ? 39.067 9.472   28.418 1.00 6.02  ? 66  LEU A CB  1 
ATOM   558  C  CG  . LEU A 1 66  ? 39.321 8.918   29.821 1.00 5.45  ? 66  LEU A CG  1 
ATOM   559  C  CD1 . LEU A 1 66  ? 38.915 7.457   29.902 1.00 7.95  ? 66  LEU A CD1 1 
ATOM   560  C  CD2 . LEU A 1 66  ? 40.780 9.092   30.218 1.00 7.67  ? 66  LEU A CD2 1 
ATOM   561  N  N   . LYS A 1 67  ? 37.998 11.535  26.219 1.00 5.86  ? 67  LYS A N   1 
ATOM   562  C  CA  . LYS A 1 67  ? 37.940 12.041  24.828 1.00 4.81  ? 67  LYS A CA  1 
ATOM   563  C  C   . LYS A 1 67  ? 38.429 13.491  24.791 1.00 6.38  ? 67  LYS A C   1 
ATOM   564  O  O   . LYS A 1 67  ? 39.180 13.863  23.914 1.00 7.02  ? 67  LYS A O   1 
ATOM   565  C  CB  . LYS A 1 67  ? 36.489 11.952  24.336 1.00 6.55  ? 67  LYS A CB  1 
ATOM   566  C  CG  . LYS A 1 67  ? 35.945 10.551  24.095 1.00 12.36 ? 67  LYS A CG  1 
ATOM   567  C  CD  . LYS A 1 67  ? 34.514 10.559  23.598 1.00 12.83 ? 67  LYS A CD  1 
ATOM   568  C  CE  . LYS A 1 67  ? 34.016 9.192   23.180 1.00 15.45 ? 67  LYS A CE  1 
ATOM   569  N  NZ  . LYS A 1 67  ? 32.603 9.242   22.731 1.00 21.02 ? 67  LYS A NZ  1 
ATOM   570  N  N   . MET A 1 68  ? 37.965 14.235  25.764 1.00 5.34  ? 68  MET A N   1 
ATOM   571  C  CA  . MET A 1 68  ? 38.339 15.664  25.793 1.00 5.76  ? 68  MET A CA  1 
ATOM   572  C  C   . MET A 1 68  ? 39.847 15.834  26.064 1.00 5.84  ? 68  MET A C   1 
ATOM   573  O  O   . MET A 1 68  ? 40.461 16.666  25.449 1.00 6.93  ? 68  MET A O   1 
ATOM   574  C  CB  . MET A 1 68  ? 37.503 16.364  26.869 1.00 5.29  ? 68  MET A CB  1 
ATOM   575  C  CG  . MET A 1 68  ? 37.756 17.854  26.981 1.00 5.45  ? 68  MET A CG  1 
ATOM   576  S  SD  . MET A 1 68  ? 39.159 18.220  28.086 1.00 6.96  ? 68  MET A SD  1 
ATOM   577  C  CE  . MET A 1 68  ? 38.422 17.814  29.673 1.00 8.25  ? 68  MET A CE  1 
ATOM   578  N  N   . GLN A 1 69  ? 40.372 15.033  26.977 1.00 5.85  ? 69  GLN A N   1 
ATOM   579  C  CA  . GLN A 1 69  ? 41.811 15.119  27.283 1.00 6.01  ? 69  GLN A CA  1 
ATOM   580  C  C   . GLN A 1 69  ? 42.604 14.993  25.972 1.00 6.05  ? 69  GLN A C   1 
ATOM   581  O  O   . GLN A 1 69  ? 43.518 15.764  25.752 1.00 7.02  ? 69  GLN A O   1 
ATOM   582  C  CB  . GLN A 1 69  ? 42.113 14.013  28.298 1.00 5.44  ? 69  GLN A CB  1 
ATOM   583  C  CG  . GLN A 1 69  ? 43.572 13.917  28.730 1.00 7.43  ? 69  GLN A CG  1 
ATOM   584  C  CD  . GLN A 1 69  ? 43.928 14.945  29.776 1.00 6.70  ? 69  GLN A CD  1 
ATOM   585  O  OE1 . GLN A 1 69  ? 44.054 16.125  29.489 1.00 8.59  ? 69  GLN A OE1 1 
ATOM   586  N  NE2 . GLN A 1 69  ? 44.071 14.495  31.011 1.00 6.88  ? 69  GLN A NE2 1 
ATOM   587  N  N   . ASN A 1 70  ? 42.210 14.046  25.156 1.00 5.88  ? 70  ASN A N   1 
ATOM   588  C  CA  . ASN A 1 70  ? 42.943 13.825  23.891 1.00 6.25  ? 70  ASN A CA  1 
ATOM   589  C  C   . ASN A 1 70  ? 42.654 14.953  22.890 1.00 6.00  ? 70  ASN A C   1 
ATOM   590  O  O   . ASN A 1 70  ? 43.536 15.361  22.176 1.00 6.74  ? 70  ASN A O   1 
ATOM   591  C  CB  . ASN A 1 70  ? 42.549 12.462  23.319 1.00 5.41  ? 70  ASN A CB  1 
ATOM   592  C  CG  . ASN A 1 70  ? 43.362 11.311  23.865 1.00 7.75  ? 70  ASN A CG  1 
ATOM   593  O  OD1 . ASN A 1 70  ? 44.360 11.518  24.539 1.00 9.81  ? 70  ASN A OD1 1 
ATOM   594  N  ND2 . ASN A 1 70  ? 42.935 10.099  23.572 1.00 6.37  ? 70  ASN A ND2 1 
ATOM   595  N  N   . GLN A 1 71  ? 41.415 15.420  22.892 1.00 5.61  ? 71  GLN A N   1 
ATOM   596  C  CA  A GLN A 1 71  ? 41.093 16.533  21.954 0.50 5.44  ? 71  GLN A CA  1 
ATOM   597  C  CA  B GLN A 1 71  ? 41.193 16.533  21.954 0.50 5.44  ? 71  GLN A CA  1 
ATOM   598  C  C   . GLN A 1 71  ? 41.954 17.756  22.265 1.00 7.78  ? 71  GLN A C   1 
ATOM   599  O  O   . GLN A 1 71  ? 42.265 18.518  21.373 1.00 7.46  ? 71  GLN A O   1 
ATOM   600  C  CB  A GLN A 1 71  ? 39.630 16.957  22.127 0.50 7.28  ? 71  GLN A CB  1 
ATOM   601  C  CB  B GLN A 1 71  ? 39.730 16.957  22.127 0.50 7.28  ? 71  GLN A CB  1 
ATOM   602  C  CG  A GLN A 1 71  ? 38.629 15.950  21.583 0.50 7.34  ? 71  GLN A CG  1 
ATOM   603  C  CG  B GLN A 1 71  ? 38.727 15.910  21.669 0.50 7.34  ? 71  GLN A CG  1 
ATOM   604  C  CD  A GLN A 1 71  ? 38.347 16.170  20.118 0.50 19.45 ? 71  GLN A CD  1 
ATOM   605  C  CD  B GLN A 1 71  ? 37.305 16.340  21.924 0.50 19.45 ? 71  GLN A CD  1 
ATOM   606  O  OE1 A GLN A 1 71  ? 38.062 17.278  19.685 0.50 22.93 ? 71  GLN A OE1 1 
ATOM   607  O  OE1 B GLN A 1 71  ? 37.033 17.146  22.804 0.50 22.93 ? 71  GLN A OE1 1 
ATOM   608  N  NE2 A GLN A 1 71  ? 38.416 15.108  19.334 0.50 25.55 ? 71  GLN A NE2 1 
ATOM   609  N  NE2 B GLN A 1 71  ? 36.374 15.799  21.158 0.50 25.55 ? 71  GLN A NE2 1 
ATOM   610  N  N   . ARG A 1 72  ? 42.307 17.888  23.522 1.00 6.65  ? 72  ARG A N   1 
ATOM   611  C  CA  . ARG A 1 72  ? 43.067 19.090  23.959 1.00 6.02  ? 72  ARG A CA  1 
ATOM   612  C  C   . ARG A 1 72  ? 44.592 18.873  23.885 1.00 6.22  ? 72  ARG A C   1 
ATOM   613  O  O   . ARG A 1 72  ? 45.321 19.816  24.052 1.00 8.38  ? 72  ARG A O   1 
ATOM   614  C  CB  . ARG A 1 72  ? 42.706 19.549  25.380 1.00 4.55  ? 72  ARG A CB  1 
ATOM   615  C  CG  . ARG A 1 72  ? 41.316 20.161  25.523 1.00 5.93  ? 72  ARG A CG  1 
ATOM   616  C  CD  . ARG A 1 72  ? 41.095 21.432  24.723 1.00 5.69  ? 72  ARG A CD  1 
ATOM   617  N  NE  . ARG A 1 72  ? 42.007 22.529  25.027 1.00 6.29  ? 72  ARG A NE  1 
ATOM   618  C  CZ  . ARG A 1 72  ? 41.841 23.422  25.996 1.00 7.32  ? 72  ARG A CZ  1 
ATOM   619  N  NH1 . ARG A 1 72  ? 40.801 23.349  26.811 1.00 5.99  ? 72  ARG A NH1 1 
ATOM   620  N  NH2 . ARG A 1 72  ? 42.724 24.389  26.147 1.00 6.19  ? 72  ARG A NH2 1 
ATOM   621  N  N   . GLY A 1 73  ? 44.985 17.629  23.690 1.00 7.34  ? 73  GLY A N   1 
ATOM   622  C  CA  . GLY A 1 73  ? 46.432 17.350  23.621 1.00 7.75  ? 73  GLY A CA  1 
ATOM   623  C  C   . GLY A 1 73  ? 47.073 16.941  24.938 1.00 8.63  ? 73  GLY A C   1 
ATOM   624  O  O   . GLY A 1 73  ? 48.263 16.850  24.981 1.00 9.82  ? 73  GLY A O   1 
ATOM   625  N  N   . GLY A 1 74  ? 46.260 16.751  25.961 1.00 7.81  ? 74  GLY A N   1 
ATOM   626  C  CA  . GLY A 1 74  ? 46.781 16.183  27.206 1.00 7.60  ? 74  GLY A CA  1 
ATOM   627  C  C   . GLY A 1 74  ? 46.889 14.664  27.114 1.00 6.48  ? 74  GLY A C   1 
ATOM   628  O  O   . GLY A 1 74  ? 46.480 14.092  26.131 1.00 9.23  ? 74  GLY A O   1 
ATOM   629  N  N   . ARG A 1 75  ? 47.468 14.113  28.155 1.00 7.38  ? 75  ARG A N   1 
ATOM   630  C  CA  . ARG A 1 75  ? 47.698 12.666  28.133 1.00 8.40  ? 75  ARG A CA  1 
ATOM   631  C  C   . ARG A 1 75  ? 46.952 12.017  29.292 1.00 6.30  ? 75  ARG A C   1 
ATOM   632  O  O   . ARG A 1 75  ? 47.182 12.386  30.422 1.00 8.05  ? 75  ARG A O   1 
ATOM   633  C  CB  . ARG A 1 75  ? 49.204 12.464  28.184 1.00 10.95 ? 75  ARG A CB  1 
ATOM   634  C  CG  . ARG A 1 75  ? 49.876 12.824  26.865 1.00 19.71 ? 75  ARG A CG  1 
ATOM   635  C  CD  . ARG A 1 75  ? 49.299 12.126  25.642 1.00 18.16 ? 75  ARG A CD  1 
ATOM   636  N  NE  . ARG A 1 75  ? 49.792 12.678  24.384 1.00 28.34 ? 75  ARG A NE  1 
ATOM   637  C  CZ  . ARG A 1 75  ? 49.015 13.249  23.475 1.00 23.57 ? 75  ARG A CZ  1 
ATOM   638  N  NH1 . ARG A 1 75  ? 47.707 13.325  23.677 1.00 13.48 ? 75  ARG A NH1 1 
ATOM   639  N  NH2 . ARG A 1 75  ? 49.544 13.734  22.371 1.00 23.39 ? 75  ARG A NH2 1 
ATOM   640  N  N   . ALA A 1 76  ? 46.092 11.084  28.914 1.00 6.80  ? 76  ALA A N   1 
ATOM   641  C  CA  . ALA A 1 76  ? 45.373 10.318  29.936 1.00 7.35  ? 76  ALA A CA  1 
ATOM   642  C  C   . ALA A 1 76  ? 46.359 9.518   30.770 1.00 8.19  ? 76  ALA A C   1 
ATOM   643  O  O   . ALA A 1 76  ? 47.197 8.806   30.206 1.00 12.45 ? 76  ALA A O   1 
ATOM   644  C  CB  . ALA A 1 76  ? 44.422 9.370   29.255 1.00 11.91 ? 76  ALA A CB  1 
ATOM   645  N  N   . LEU A 1 77  ? 46.188 9.606   32.068 1.00 8.18  ? 77  LEU A N   1 
ATOM   646  C  CA  . LEU A 1 77  ? 47.019 8.812   32.982 1.00 9.06  ? 77  LEU A CA  1 
ATOM   647  C  C   . LEU A 1 77  ? 46.049 8.150   33.949 1.00 11.57 ? 77  LEU A C   1 
ATOM   648  O  O   . LEU A 1 77  ? 45.291 8.850   34.603 1.00 13.02 ? 77  LEU A O   1 
ATOM   649  C  CB  . LEU A 1 77  ? 48.014 9.695   33.729 1.00 12.18 ? 77  LEU A CB  1 
ATOM   650  C  CG  . LEU A 1 77  ? 49.271 10.093  32.967 1.00 15.23 ? 77  LEU A CG  1 
ATOM   651  C  CD1 . LEU A 1 77  ? 50.165 10.934  33.863 1.00 19.01 ? 77  LEU A CD1 1 
ATOM   652  C  CD2 . LEU A 1 77  ? 50.014 8.864   32.461 1.00 17.85 ? 77  LEU A CD2 1 
ATOM   653  N  N   . PHE A 1 78  ? 46.136 6.841   34.004 1.00 7.64  ? 78  PHE A N   1 
ATOM   654  C  CA  . PHE A 1 78  ? 45.220 6.072   34.864 1.00 8.47  ? 78  PHE A CA  1 
ATOM   655  C  C   . PHE A 1 78  ? 45.916 5.657   36.155 1.00 10.01 ? 78  PHE A C   1 
ATOM   656  O  O   . PHE A 1 78  ? 47.108 5.398   36.167 1.00 12.02 ? 78  PHE A O   1 
ATOM   657  C  CB  . PHE A 1 78  ? 44.753 4.853   34.075 1.00 6.55  ? 78  PHE A CB  1 
ATOM   658  C  CG  . PHE A 1 78  ? 43.912 5.218   32.880 1.00 6.89  ? 78  PHE A CG  1 
ATOM   659  C  CD1 . PHE A 1 78  ? 42.578 5.553   33.039 1.00 9.32  ? 78  PHE A CD1 1 
ATOM   660  C  CD2 . PHE A 1 78  ? 44.459 5.260   31.610 1.00 8.14  ? 78  PHE A CD2 1 
ATOM   661  C  CE1 . PHE A 1 78  ? 41.804 5.902   31.944 1.00 11.45 ? 78  PHE A CE1 1 
ATOM   662  C  CE2 . PHE A 1 78  ? 43.684 5.614   30.518 1.00 8.32  ? 78  PHE A CE2 1 
ATOM   663  C  CZ  . PHE A 1 78  ? 42.360 5.930   30.689 1.00 9.28  ? 78  PHE A CZ  1 
ATOM   664  N  N   . GLN A 1 79  ? 45.128 5.686   37.207 1.00 7.04  ? 79  GLN A N   1 
ATOM   665  C  CA  . GLN A 1 79  ? 45.642 5.279   38.526 1.00 9.11  ? 79  GLN A CA  1 
ATOM   666  C  C   . GLN A 1 79  ? 44.811 4.105   39.042 1.00 6.96  ? 79  GLN A C   1 
ATOM   667  O  O   . GLN A 1 79  ? 43.800 3.773   38.460 1.00 8.34  ? 79  GLN A O   1 
ATOM   668  C  CB  . GLN A 1 79  ? 45.576 6.451   39.522 1.00 11.66 ? 79  GLN A CB  1 
ATOM   669  C  CG  . GLN A 1 79  ? 46.436 7.647   39.149 1.00 15.00 ? 79  GLN A CG  1 
ATOM   670  C  CD  . GLN A 1 79  ? 47.888 7.312   38.906 1.00 33.14 ? 79  GLN A CD  1 
ATOM   671  O  OE1 . GLN A 1 79  ? 48.431 6.342   39.436 1.00 26.57 ? 79  GLN A OE1 1 
ATOM   672  N  NE2 . GLN A 1 79  ? 48.536 8.139   38.101 1.00 32.05 ? 79  GLN A NE2 1 
ATOM   673  N  N   . ASP A 1 80  ? 45.287 3.533   40.137 1.00 7.15  ? 80  ASP A N   1 
ATOM   674  C  CA  . ASP A 1 80  ? 44.543 2.432   40.764 1.00 7.17  ? 80  ASP A CA  1 
ATOM   675  C  C   . ASP A 1 80  ? 43.144 2.944   41.109 1.00 7.85  ? 80  ASP A C   1 
ATOM   676  O  O   . ASP A 1 80  ? 43.000 4.119   41.395 1.00 9.11  ? 80  ASP A O   1 
ATOM   677  C  CB  . ASP A 1 80  ? 45.344 1.987   42.005 1.00 7.06  ? 80  ASP A CB  1 
ATOM   678  C  CG  . ASP A 1 80  ? 46.700 1.329   41.799 1.00 9.02  ? 80  ASP A CG  1 
ATOM   679  O  OD1 . ASP A 1 80  ? 46.918 0.751   40.746 1.00 7.00  ? 80  ASP A OD1 1 
ATOM   680  O  OD2 . ASP A 1 80  ? 47.492 1.389   42.733 1.00 10.85 ? 80  ASP A OD2 1 
ATOM   681  N  N   A LEU A 1 81  ? 42.170 2.045   41.052 0.70 6.97  ? 81  LEU A N   1 
ATOM   682  N  N   B LEU A 1 81  ? 42.163 2.047   41.073 0.30 7.03  ? 81  LEU A N   1 
ATOM   683  C  CA  A LEU A 1 81  ? 40.782 2.447   41.361 0.70 7.86  ? 81  LEU A CA  1 
ATOM   684  C  CA  B LEU A 1 81  ? 40.774 2.444   41.403 0.30 7.93  ? 81  LEU A CA  1 
ATOM   685  C  C   A LEU A 1 81  ? 40.403 1.801   42.684 0.70 9.29  ? 81  LEU A C   1 
ATOM   686  C  C   B LEU A 1 81  ? 40.412 1.822   42.750 0.30 9.22  ? 81  LEU A C   1 
ATOM   687  O  O   A LEU A 1 81  ? 40.411 0.577   42.795 0.70 9.69  ? 81  LEU A O   1 
ATOM   688  O  O   B LEU A 1 81  ? 40.393 0.596   42.845 0.30 9.54  ? 81  LEU A O   1 
ATOM   689  C  CB  A LEU A 1 81  ? 39.819 1.998   40.260 0.70 9.75  ? 81  LEU A CB  1 
ATOM   690  C  CB  B LEU A 1 81  ? 39.810 1.983   40.304 0.30 9.74  ? 81  LEU A CB  1 
ATOM   691  C  CG  A LEU A 1 81  ? 39.826 2.853   38.999 0.70 9.16  ? 81  LEU A CG  1 
ATOM   692  C  CG  B LEU A 1 81  ? 38.641 2.918   40.008 0.30 12.25 ? 81  LEU A CG  1 
ATOM   693  C  CD1 A LEU A 1 81  ? 39.023 2.170   37.907 0.70 11.08 ? 81  LEU A CD1 1 
ATOM   694  C  CD1 B LEU A 1 81  ? 39.151 4.207   39.385 0.30 11.96 ? 81  LEU A CD1 1 
ATOM   695  C  CD2 A LEU A 1 81  ? 39.264 4.233   39.293 0.70 12.09 ? 81  LEU A CD2 1 
ATOM   696  C  CD2 B LEU A 1 81  ? 37.644 2.237   39.084 0.30 10.25 ? 81  LEU A CD2 1 
ATOM   697  N  N   . GLN A 1 82  ? 40.153 2.622   43.654 1.00 8.04  ? 82  GLN A N   1 
ATOM   698  C  CA  . GLN A 1 82  ? 39.831 2.048   44.979 1.00 8.70  ? 82  GLN A CA  1 
ATOM   699  C  C   . GLN A 1 82  ? 38.433 1.422   44.999 1.00 8.01  ? 82  GLN A C   1 
ATOM   700  O  O   . GLN A 1 82  ? 37.546 1.886   44.284 1.00 10.08 ? 82  GLN A O   1 
ATOM   701  C  CB  . GLN A 1 82  ? 39.953 3.082   46.092 1.00 11.85 ? 82  GLN A CB  1 
ATOM   702  C  CG  . GLN A 1 82  ? 38.919 4.179   46.043 1.00 17.70 ? 82  GLN A CG  1 
ATOM   703  C  CD  . GLN A 1 82  ? 39.379 5.294   46.949 1.00 25.00 ? 82  GLN A CD  1 
ATOM   704  O  OE1 . GLN A 1 82  ? 40.205 6.122   46.578 1.00 27.31 ? 82  GLN A OE1 1 
ATOM   705  N  NE2 . GLN A 1 82  ? 38.876 5.284   48.167 1.00 19.24 ? 82  GLN A NE2 1 
ATOM   706  N  N   . LYS A 1 83  ? 38.336 0.380   45.812 1.00 7.81  ? 83  LYS A N   1 
ATOM   707  C  CA  . LYS A 1 83  ? 37.047 -0.330  45.924 1.00 7.63  ? 83  LYS A CA  1 
ATOM   708  C  C   . LYS A 1 83  ? 36.038 0.577   46.630 1.00 9.41  ? 83  LYS A C   1 
ATOM   709  O  O   . LYS A 1 83  ? 36.421 1.524   47.296 1.00 7.96  ? 83  LYS A O   1 
ATOM   710  C  CB  . LYS A 1 83  ? 37.215 -1.639  46.697 1.00 7.21  ? 83  LYS A CB  1 
ATOM   711  C  CG  . LYS A 1 83  ? 37.504 -1.491  48.181 1.00 7.30  ? 83  LYS A CG  1 
ATOM   712  C  CD  . LYS A 1 83  ? 37.637 -2.830  48.860 1.00 9.66  ? 83  LYS A CD  1 
ATOM   713  C  CE  . LYS A 1 83  ? 37.565 -2.738  50.366 1.00 9.92  ? 83  LYS A CE  1 
ATOM   714  N  NZ  . LYS A 1 83  ? 37.833 -4.052  50.994 1.00 15.00 ? 83  LYS A NZ  1 
ATOM   715  N  N   . PRO A 1 84  ? 34.743 0.300   46.442 1.00 6.52  ? 84  PRO A N   1 
ATOM   716  C  CA  . PRO A 1 84  ? 33.725 1.073   47.122 1.00 6.18  ? 84  PRO A CA  1 
ATOM   717  C  C   . PRO A 1 84  ? 33.856 1.061   48.650 1.00 7.82  ? 84  PRO A C   1 
ATOM   718  O  O   . PRO A 1 84  ? 34.438 0.180   49.211 1.00 8.67  ? 84  PRO A O   1 
ATOM   719  C  CB  . PRO A 1 84  ? 32.390 0.452   46.660 1.00 6.87  ? 84  PRO A CB  1 
ATOM   720  C  CG  . PRO A 1 84  ? 32.749 -0.165  45.325 1.00 6.50  ? 84  PRO A CG  1 
ATOM   721  C  CD  . PRO A 1 84  ? 34.141 -0.716  45.557 1.00 6.92  ? 84  PRO A CD  1 
ATOM   722  N  N   . SER A 1 85  ? 33.204 2.031   49.254 1.00 8.68  ? 85  SER A N   1 
ATOM   723  C  CA  . SER A 1 85  ? 33.381 2.248   50.704 1.00 7.26  ? 85  SER A CA  1 
ATOM   724  C  C   . SER A 1 85  ? 32.697 1.185   51.557 1.00 9.72  ? 85  SER A C   1 
ATOM   725  O  O   . SER A 1 85  ? 33.085 1.024   52.688 1.00 11.54 ? 85  SER A O   1 
ATOM   726  C  CB  . SER A 1 85  ? 32.861 3.627   51.025 1.00 10.27 ? 85  SER A CB  1 
ATOM   727  O  OG  . SER A 1 85  ? 31.452 3.683   50.872 1.00 15.74 ? 85  SER A OG  1 
ATOM   728  N  N   . GLN A 1 86  ? 31.732 0.496   50.966 1.00 6.95  ? 86  GLN A N   1 
ATOM   729  C  CA  A GLN A 1 86  ? 31.006 -0.567  51.703 0.59 7.18  ? 86  GLN A CA  1 
ATOM   730  C  CA  B GLN A 1 86  ? 31.000 -0.572  51.689 0.41 7.24  ? 86  GLN A CA  1 
ATOM   731  C  C   . GLN A 1 86  ? 30.838 -1.850  50.821 1.00 6.58  ? 86  GLN A C   1 
ATOM   732  O  O   . GLN A 1 86  ? 30.943 -1.853  49.570 1.00 7.98  ? 86  GLN A O   1 
ATOM   733  C  CB  A GLN A 1 86  ? 29.594 -0.100  52.074 0.59 7.97  ? 86  GLN A CB  1 
ATOM   734  C  CB  B GLN A 1 86  ? 29.579 -0.120  52.045 0.41 7.98  ? 86  GLN A CB  1 
ATOM   735  C  CG  A GLN A 1 86  ? 29.603 1.143   52.950 0.59 9.33  ? 86  GLN A CG  1 
ATOM   736  C  CG  B GLN A 1 86  ? 29.532 1.150   52.881 0.41 9.36  ? 86  GLN A CG  1 
ATOM   737  C  CD  A GLN A 1 86  ? 28.228 1.721   53.159 0.59 13.10 ? 86  GLN A CD  1 
ATOM   738  C  CD  B GLN A 1 86  ? 30.112 0.923   54.254 0.41 10.76 ? 86  GLN A CD  1 
ATOM   739  O  OE1 A GLN A 1 86  ? 28.051 2.934   53.236 0.59 15.50 ? 86  GLN A OE1 1 
ATOM   740  O  OE1 B GLN A 1 86  ? 30.590 1.848   54.907 0.41 22.83 ? 86  GLN A OE1 1 
ATOM   741  N  NE2 A GLN A 1 86  ? 27.241 0.847   53.261 0.59 12.75 ? 86  GLN A NE2 1 
ATOM   742  N  NE2 B GLN A 1 86  ? 30.080 -0.320  54.702 0.41 15.00 ? 86  GLN A NE2 1 
ATOM   743  N  N   . ASP A 1 87  ? 30.763 -2.977  51.528 1.00 6.69  ? 87  ASP A N   1 
ATOM   744  C  CA  . ASP A 1 87  ? 30.455 -4.257  50.840 1.00 7.49  ? 87  ASP A CA  1 
ATOM   745  C  C   . ASP A 1 87  ? 28.948 -4.533  50.854 1.00 8.66  ? 87  ASP A C   1 
ATOM   746  O  O   . ASP A 1 87  ? 28.485 -5.243  49.983 1.00 10.22 ? 87  ASP A O   1 
ATOM   747  C  CB  . ASP A 1 87  ? 31.150 -5.423  51.540 1.00 6.80  ? 87  ASP A CB  1 
ATOM   748  C  CG  . ASP A 1 87  ? 32.666 -5.306  51.483 1.00 8.41  ? 87  ASP A CG  1 
ATOM   749  O  OD1 . ASP A 1 87  ? 33.175 -4.844  50.455 1.00 9.36  ? 87  ASP A OD1 1 
ATOM   750  O  OD2 . ASP A 1 87  ? 33.313 -5.678  52.467 1.00 12.21 ? 87  ASP A OD2 1 
ATOM   751  N  N   . GLU A 1 88  ? 28.270 -4.040  51.875 1.00 8.17  ? 88  GLU A N   1 
ATOM   752  C  CA  . GLU A 1 88  ? 26.806 -4.233  52.023 1.00 10.31 ? 88  GLU A CA  1 
ATOM   753  C  C   . GLU A 1 88  ? 26.242 -2.825  52.224 1.00 9.92  ? 88  GLU A C   1 
ATOM   754  O  O   . GLU A 1 88  ? 26.841 -2.061  52.939 1.00 11.09 ? 88  GLU A O   1 
ATOM   755  C  CB  . GLU A 1 88  ? 26.550 -5.200  53.176 1.00 11.25 ? 88  GLU A CB  1 
ATOM   756  C  CG  . GLU A 1 88  ? 27.119 -6.574  52.946 1.00 9.99  ? 88  GLU A CG  1 
ATOM   757  C  CD  . GLU A 1 88  ? 26.692 -7.511  54.055 1.00 21.82 ? 88  GLU A CD  1 
ATOM   758  O  OE1 . GLU A 1 88  ? 26.841 -7.128  55.220 1.00 20.61 ? 88  GLU A OE1 1 
ATOM   759  O  OE2 . GLU A 1 88  ? 26.200 -8.597  53.745 1.00 15.76 ? 88  GLU A OE2 1 
ATOM   760  N  N   . TRP A 1 89  ? 25.103 -2.529  51.617 1.00 7.32  ? 89  TRP A N   1 
ATOM   761  C  CA  . TRP A 1 89  ? 24.662 -1.114  51.564 1.00 6.60  ? 89  TRP A CA  1 
ATOM   762  C  C   . TRP A 1 89  ? 23.411 -0.797  52.376 1.00 8.24  ? 89  TRP A C   1 
ATOM   763  O  O   . TRP A 1 89  ? 22.929 0.302   52.257 1.00 9.94  ? 89  TRP A O   1 
ATOM   764  C  CB  . TRP A 1 89  ? 24.505 -0.733  50.087 1.00 6.67  ? 89  TRP A CB  1 
ATOM   765  C  CG  . TRP A 1 89  ? 25.796 -0.788  49.321 1.00 6.66  ? 89  TRP A CG  1 
ATOM   766  C  CD1 . TRP A 1 89  ? 26.251 -1.807  48.535 1.00 7.44  ? 89  TRP A CD1 1 
ATOM   767  C  CD2 . TRP A 1 89  ? 26.811 0.230   49.275 1.00 6.78  ? 89  TRP A CD2 1 
ATOM   768  N  NE1 . TRP A 1 89  ? 27.466 -1.487  47.996 1.00 5.84  ? 89  TRP A NE1 1 
ATOM   769  C  CE2 . TRP A 1 89  ? 27.836 -0.247  48.434 1.00 6.82  ? 89  TRP A CE2 1 
ATOM   770  C  CE3 . TRP A 1 89  ? 26.946 1.499   49.845 1.00 6.80  ? 89  TRP A CE3 1 
ATOM   771  C  CZ2 . TRP A 1 89  ? 28.980 0.494   48.162 1.00 7.89  ? 89  TRP A CZ2 1 
ATOM   772  C  CZ3 . TRP A 1 89  ? 28.080 2.229   49.580 1.00 7.92  ? 89  TRP A CZ3 1 
ATOM   773  C  CH2 . TRP A 1 89  ? 29.080 1.733   48.746 1.00 7.88  ? 89  TRP A CH2 1 
ATOM   774  N  N   . GLY A 1 90  ? 22.983 -1.755  53.181 1.00 7.75  ? 90  GLY A N   1 
ATOM   775  C  CA  . GLY A 1 90  ? 21.824 -1.503  54.062 1.00 8.60  ? 90  GLY A CA  1 
ATOM   776  C  C   . GLY A 1 90  ? 20.496 -1.408  53.335 1.00 6.80  ? 90  GLY A C   1 
ATOM   777  O  O   . GLY A 1 90  ? 20.227 -2.190  52.469 1.00 7.96  ? 90  GLY A O   1 
ATOM   778  N  N   . THR A 1 91  ? 19.714 -0.433  53.762 1.00 6.27  ? 91  THR A N   1 
ATOM   779  C  CA  . THR A 1 91  ? 18.379 -0.251  53.172 1.00 7.34  ? 91  THR A CA  1 
ATOM   780  C  C   . THR A 1 91  ? 18.447 0.648   51.938 1.00 6.02  ? 91  THR A C   1 
ATOM   781  O  O   . THR A 1 91  ? 19.469 1.217   51.672 1.00 7.84  ? 91  THR A O   1 
ATOM   782  C  CB  . THR A 1 91  ? 17.428 0.413   54.180 1.00 8.70  ? 91  THR A CB  1 
ATOM   783  O  OG1 . THR A 1 91  ? 17.946 1.697   54.501 1.00 8.65  ? 91  THR A OG1 1 
ATOM   784  C  CG2 . THR A 1 91  ? 17.290 -0.387  55.453 1.00 10.17 ? 91  THR A CG2 1 
ATOM   785  N  N   . THR A 1 92  ? 17.345 0.701   51.217 1.00 8.28  ? 92  THR A N   1 
ATOM   786  C  CA  . THR A 1 92  ? 17.278 1.636   50.069 1.00 7.10  ? 92  THR A CA  1 
ATOM   787  C  C   . THR A 1 92  ? 17.599 3.056   50.548 1.00 6.72  ? 92  THR A C   1 
ATOM   788  O  O   . THR A 1 92  ? 18.251 3.764   49.850 1.00 7.73  ? 92  THR A O   1 
ATOM   789  C  CB  . THR A 1 92  ? 15.873 1.593   49.457 1.00 6.49  ? 92  THR A CB  1 
ATOM   790  O  OG1 . THR A 1 92  ? 15.594 0.257   49.051 1.00 7.39  ? 92  THR A OG1 1 
ATOM   791  C  CG2 . THR A 1 92  ? 15.755 2.481   48.238 1.00 7.19  ? 92  THR A CG2 1 
ATOM   792  N  N   . LEU A 1 93  ? 17.079 3.399   51.720 1.00 6.58  ? 93  LEU A N   1 
ATOM   793  C  CA  . LEU A 1 93  ? 17.375 4.739   52.304 1.00 6.10  ? 93  LEU A CA  1 
ATOM   794  C  C   . LEU A 1 93  ? 18.884 4.937   52.509 1.00 7.82  ? 93  LEU A C   1 
ATOM   795  O  O   . LEU A 1 93  ? 19.401 5.960   52.131 1.00 8.61  ? 93  LEU A O   1 
ATOM   796  C  CB  . LEU A 1 93  ? 16.605 4.875   53.627 1.00 7.95  ? 93  LEU A CB  1 
ATOM   797  C  CG  . LEU A 1 93  ? 16.768 6.199   54.370 1.00 12.24 ? 93  LEU A CG  1 
ATOM   798  C  CD1 . LEU A 1 93  ? 16.461 7.372   53.457 1.00 15.19 ? 93  LEU A CD1 1 
ATOM   799  C  CD2 . LEU A 1 93  ? 15.864 6.233   55.590 1.00 15.18 ? 93  LEU A CD2 1 
ATOM   800  N  N   . ASP A 1 94  ? 19.495 3.960   53.149 1.00 6.42  ? 94  ASP A N   1 
ATOM   801  C  CA  . ASP A 1 94  ? 20.953 4.065   53.382 1.00 6.90  ? 94  ASP A CA  1 
ATOM   802  C  C   . ASP A 1 94  ? 21.684 4.210   52.054 1.00 8.24  ? 94  ASP A C   1 
ATOM   803  O  O   . ASP A 1 94  ? 22.620 4.970   51.974 1.00 8.38  ? 94  ASP A O   1 
ATOM   804  C  CB  . ASP A 1 94  ? 21.471 2.801   54.056 1.00 7.79  ? 94  ASP A CB  1 
ATOM   805  C  CG  . ASP A 1 94  ? 21.010 2.569   55.482 1.00 11.57 ? 94  ASP A CG  1 
ATOM   806  O  OD1 . ASP A 1 94  ? 20.909 3.544   56.222 1.00 12.72 ? 94  ASP A OD1 1 
ATOM   807  O  OD2 . ASP A 1 94  ? 20.799 1.404   55.828 1.00 10.72 ? 94  ASP A OD2 1 
ATOM   808  N  N   . ALA A 1 95  ? 21.243 3.457   51.064 1.00 6.04  ? 95  ALA A N   1 
ATOM   809  C  CA  . ALA A 1 95  ? 21.926 3.479   49.757 1.00 6.15  ? 95  ALA A CA  1 
ATOM   810  C  C   . ALA A 1 95  ? 21.725 4.822   49.057 1.00 7.38  ? 95  ALA A C   1 
ATOM   811  O  O   . ALA A 1 95  ? 22.648 5.327   48.464 1.00 8.56  ? 95  ALA A O   1 
ATOM   812  C  CB  . ALA A 1 95  ? 21.392 2.329   48.924 1.00 6.35  ? 95  ALA A CB  1 
ATOM   813  N  N   . MET A 1 96  ? 20.508 5.325   49.138 1.00 7.06  ? 96  MET A N   1 
ATOM   814  C  CA  . MET A 1 96  ? 20.244 6.603   48.442 1.00 6.58  ? 96  MET A CA  1 
ATOM   815  C  C   . MET A 1 96  ? 20.990 7.746   49.160 1.00 7.91  ? 96  MET A C   1 
ATOM   816  O  O   . MET A 1 96  ? 21.430 8.649   48.487 1.00 7.93  ? 96  MET A O   1 
ATOM   817  C  CB  . MET A 1 96  ? 18.732 6.871   48.381 1.00 6.59  ? 96  MET A CB  1 
ATOM   818  C  CG  . MET A 1 96  ? 18.333 7.973   47.405 1.00 7.77  ? 96  MET A CG  1 
ATOM   819  S  SD  . MET A 1 96  ? 18.589 7.497   45.665 1.00 9.53  ? 96  MET A SD  1 
ATOM   820  C  CE  . MET A 1 96  ? 17.401 6.162   45.505 1.00 10.24 ? 96  MET A CE  1 
ATOM   821  N  N   . LYS A 1 97  ? 21.109 7.653   50.471 1.00 7.56  ? 97  LYS A N   1 
ATOM   822  C  CA  . LYS A 1 97  ? 21.915 8.651   51.226 1.00 8.31  ? 97  LYS A CA  1 
ATOM   823  C  C   . LYS A 1 97  ? 23.387 8.571   50.780 1.00 9.96  ? 97  LYS A C   1 
ATOM   824  O  O   . LYS A 1 97  ? 23.983 9.622   50.566 1.00 9.97  ? 97  LYS A O   1 
ATOM   825  C  CB  . LYS A 1 97  ? 21.802 8.426   52.735 1.00 8.95  ? 97  LYS A CB  1 
ATOM   826  C  CG  . LYS A 1 97  ? 20.508 8.873   53.401 1.00 12.81 ? 97  LYS A CG  1 
ATOM   827  C  CD  . LYS A 1 97  ? 20.472 8.486   54.863 1.00 17.10 ? 97  LYS A CD  1 
ATOM   828  C  CE  . LYS A 1 97  ? 19.188 8.871   55.565 1.00 32.53 ? 97  LYS A CE  1 
ATOM   829  N  NZ  . LYS A 1 97  ? 19.043 8.183   56.873 1.00 36.70 ? 97  LYS A NZ  1 
ATOM   830  N  N   . ALA A 1 98  ? 23.914 7.362   50.620 1.00 8.00  ? 98  ALA A N   1 
ATOM   831  C  CA  . ALA A 1 98  ? 25.333 7.220   50.213 1.00 6.92  ? 98  ALA A CA  1 
ATOM   832  C  C   . ALA A 1 98  ? 25.522 7.779   48.804 1.00 8.54  ? 98  ALA A C   1 
ATOM   833  O  O   . ALA A 1 98  ? 26.538 8.368   48.525 1.00 8.40  ? 98  ALA A O   1 
ATOM   834  C  CB  . ALA A 1 98  ? 25.751 5.758   50.303 1.00 8.91  ? 98  ALA A CB  1 
ATOM   835  N  N   . ALA A 1 99  ? 24.532 7.562   47.948 1.00 7.91  ? 99  ALA A N   1 
ATOM   836  C  CA  . ALA A 1 99  ? 24.623 8.039   46.548 1.00 7.24  ? 99  ALA A CA  1 
ATOM   837  C  C   . ALA A 1 99  ? 24.626 9.575   46.468 1.00 8.48  ? 99  ALA A C   1 
ATOM   838  O  O   . ALA A 1 99  ? 25.325 10.119  45.664 1.00 10.27 ? 99  ALA A O   1 
ATOM   839  C  CB  . ALA A 1 99  ? 23.457 7.467   45.774 1.00 10.90 ? 99  ALA A CB  1 
ATOM   840  N  N   . ILE A 1 100 ? 23.766 10.180  47.285 1.00 8.92  ? 100 ILE A N   1 
ATOM   841  C  CA  A ILE A 1 100 ? 23.728 11.675  47.280 0.55 7.73  ? 100 ILE A CA  1 
ATOM   842  C  CA  B ILE A 1 100 ? 23.732 11.678  47.303 0.45 7.76  ? 100 ILE A CA  1 
ATOM   843  C  C   . ILE A 1 100 ? 25.063 12.292  47.797 1.00 7.15  ? 100 ILE A C   1 
ATOM   844  O  O   . ILE A 1 100 ? 25.670 13.265  47.263 1.00 9.50  ? 100 ILE A O   1 
ATOM   845  C  CB  A ILE A 1 100 ? 22.474 12.193  48.020 0.55 7.84  ? 100 ILE A CB  1 
ATOM   846  C  CB  B ILE A 1 100 ? 22.546 12.165  48.158 0.45 7.87  ? 100 ILE A CB  1 
ATOM   847  C  CG1 A ILE A 1 100 ? 22.132 13.616  47.567 0.55 13.28 ? 100 ILE A CG1 1 
ATOM   848  C  CG1 B ILE A 1 100 ? 21.214 11.956  47.440 0.45 7.38  ? 100 ILE A CG1 1 
ATOM   849  C  CG2 A ILE A 1 100 ? 22.637 12.114  49.523 0.55 6.70  ? 100 ILE A CG2 1 
ATOM   850  C  CG2 B ILE A 1 100 ? 22.746 13.617  48.567 0.45 11.12 ? 100 ILE A CG2 1 
ATOM   851  C  CD1 A ILE A 1 100 ? 20.663 13.963  47.636 0.55 12.89 ? 100 ILE A CD1 1 
ATOM   852  C  CD1 B ILE A 1 100 ? 20.007 12.138  48.329 0.45 9.54  ? 100 ILE A CD1 1 
ATOM   853  N  N   . VAL A 1 101 ? 25.606 11.619  48.807 1.00 6.79  ? 101 VAL A N   1 
ATOM   854  C  CA  . VAL A 1 101 ? 26.953 12.009  49.318 1.00 7.05  ? 101 VAL A CA  1 
ATOM   855  C  C   . VAL A 1 101 ? 27.975 11.850  48.183 1.00 9.88  ? 101 VAL A C   1 
ATOM   856  O  O   . VAL A 1 101 ? 28.780 12.745  47.981 1.00 10.57 ? 101 VAL A O   1 
ATOM   857  C  CB  . VAL A 1 101 ? 27.333 11.179  50.552 1.00 9.13  ? 101 VAL A CB  1 
ATOM   858  C  CG1 . VAL A 1 101 ? 28.808 11.324  50.897 1.00 11.62 ? 101 VAL A CG1 1 
ATOM   859  C  CG2 . VAL A 1 101 ? 26.471 11.529  51.753 1.00 11.30 ? 101 VAL A CG2 1 
ATOM   860  N  N   . LEU A 1 102 ? 27.926 10.732  47.489 1.00 7.89  ? 102 LEU A N   1 
ATOM   861  C  CA  . LEU A 1 102 ? 28.857 10.501  46.356 1.00 7.76  ? 102 LEU A CA  1 
ATOM   862  C  C   . LEU A 1 102 ? 28.666 11.590  45.291 1.00 9.76  ? 102 LEU A C   1 
ATOM   863  O  O   . LEU A 1 102 ? 29.643 12.123  44.811 1.00 9.28  ? 102 LEU A O   1 
ATOM   864  C  CB  . LEU A 1 102 ? 28.586 9.093   45.792 1.00 8.57  ? 102 LEU A CB  1 
ATOM   865  C  CG  . LEU A 1 102 ? 29.383 8.688   44.555 1.00 8.62  ? 102 LEU A CG  1 
ATOM   866  C  CD1 . LEU A 1 102 ? 30.872 8.849   44.804 1.00 12.08 ? 102 LEU A CD1 1 
ATOM   867  C  CD2 . LEU A 1 102 ? 29.065 7.252   44.162 1.00 11.98 ? 102 LEU A CD2 1 
ATOM   868  N  N   . GLU A 1 103 ? 27.424 11.841  44.921 1.00 9.15  ? 103 GLU A N   1 
ATOM   869  C  CA  . GLU A 1 103 ? 27.174 12.835  43.854 1.00 8.05  ? 103 GLU A CA  1 
ATOM   870  C  C   . GLU A 1 103 ? 27.626 14.243  44.269 1.00 7.68  ? 103 GLU A C   1 
ATOM   871  O  O   . GLU A 1 103 ? 28.173 14.940  43.423 1.00 10.19 ? 103 GLU A O   1 
ATOM   872  C  CB  . GLU A 1 103 ? 25.694 12.831  43.479 1.00 9.23  ? 103 GLU A CB  1 
ATOM   873  C  CG  . GLU A 1 103 ? 25.297 11.578  42.714 1.00 10.68 ? 103 GLU A CG  1 
ATOM   874  C  CD  . GLU A 1 103 ? 26.152 11.199  41.516 1.00 13.72 ? 103 GLU A CD  1 
ATOM   875  O  OE1 . GLU A 1 103 ? 26.571 12.085  40.782 1.00 10.96 ? 103 GLU A OE1 1 
ATOM   876  O  OE2 . GLU A 1 103 ? 26.370 10.010  41.311 1.00 13.34 ? 103 GLU A OE2 1 
ATOM   877  N  N   . LYS A 1 104 ? 27.411 14.599  45.521 1.00 8.31  ? 104 LYS A N   1 
ATOM   878  C  CA  . LYS A 1 104 ? 27.859 15.939  45.989 1.00 8.88  ? 104 LYS A CA  1 
ATOM   879  C  C   . LYS A 1 104 ? 29.383 16.052  45.875 1.00 11.46 ? 104 LYS A C   1 
ATOM   880  O  O   . LYS A 1 104 ? 29.887 17.116  45.627 1.00 8.82  ? 104 LYS A O   1 
ATOM   881  C  CB  . LYS A 1 104 ? 27.396 16.193  47.422 1.00 9.62  ? 104 LYS A CB  1 
ATOM   882  C  CG  . LYS A 1 104 ? 25.963 16.692  47.517 1.00 15.97 ? 104 LYS A CG  1 
ATOM   883  C  CD  . LYS A 1 104 ? 25.406 16.542  48.898 1.00 19.06 ? 104 LYS A CD  1 
ATOM   884  C  CE  . LYS A 1 104 ? 24.027 17.141  49.053 1.00 23.29 ? 104 LYS A CE  1 
ATOM   885  N  NZ  . LYS A 1 104 ? 23.658 17.188  50.487 1.00 22.62 ? 104 LYS A NZ  1 
ATOM   886  N  N   . SER A 1 105 ? 30.040 14.925  46.111 1.00 9.29  ? 105 SER A N   1 
ATOM   887  C  CA  . SER A 1 105 ? 31.519 14.931  46.013 1.00 8.06  ? 105 SER A CA  1 
ATOM   888  C  C   . SER A 1 105 ? 31.977 15.084  44.547 1.00 8.24  ? 105 SER A C   1 
ATOM   889  O  O   . SER A 1 105 ? 32.939 15.805  44.321 1.00 8.06  ? 105 SER A O   1 
ATOM   890  C  CB  . SER A 1 105 ? 32.094 13.695  46.709 1.00 7.57  ? 105 SER A CB  1 
ATOM   891  O  OG  . SER A 1 105 ? 32.016 12.554  45.867 1.00 13.99 ? 105 SER A OG  1 
ATOM   892  N  N   . LEU A 1 106 ? 31.276 14.466  43.603 1.00 8.06  ? 106 LEU A N   1 
ATOM   893  C  CA  . LEU A 1 106 ? 31.628 14.620  42.172 1.00 7.54  ? 106 LEU A CA  1 
ATOM   894  C  C   . LEU A 1 106 ? 31.324 16.065  41.768 1.00 7.40  ? 106 LEU A C   1 
ATOM   895  O  O   . LEU A 1 106 ? 32.090 16.639  41.075 1.00 8.25  ? 106 LEU A O   1 
ATOM   896  C  CB  . LEU A 1 106 ? 30.831 13.629  41.303 1.00 10.26 ? 106 LEU A CB  1 
ATOM   897  C  CG  . LEU A 1 106 ? 31.159 12.151  41.493 1.00 11.86 ? 106 LEU A CG  1 
ATOM   898  C  CD1 . LEU A 1 106 ? 30.284 11.308  40.581 1.00 11.44 ? 106 LEU A CD1 1 
ATOM   899  C  CD2 . LEU A 1 106 ? 32.628 11.879  41.207 1.00 11.96 ? 106 LEU A CD2 1 
ATOM   900  N  N   . ASN A 1 107 ? 30.207 16.572  42.279 1.00 8.56  ? 107 ASN A N   1 
ATOM   901  C  CA  . ASN A 1 107 ? 29.790 17.949  41.914 1.00 6.85  ? 107 ASN A CA  1 
ATOM   902  C  C   . ASN A 1 107 ? 30.837 18.965  42.396 1.00 6.43  ? 107 ASN A C   1 
ATOM   903  O  O   . ASN A 1 107 ? 31.151 19.854  41.664 1.00 6.09  ? 107 ASN A O   1 
ATOM   904  C  CB  . ASN A 1 107 ? 28.384 18.220  42.459 1.00 7.18  ? 107 ASN A CB  1 
ATOM   905  C  CG  . ASN A 1 107 ? 27.706 19.367  41.747 1.00 6.34  ? 107 ASN A CG  1 
ATOM   906  O  OD1 . ASN A 1 107 ? 27.873 19.532  40.550 1.00 9.29  ? 107 ASN A OD1 1 
ATOM   907  N  ND2 . ASN A 1 107 ? 26.950 20.157  42.483 1.00 7.59  ? 107 ASN A ND2 1 
ATOM   908  N  N   . GLN A 1 108 ? 31.297 18.762  43.617 1.00 7.47  ? 108 GLN A N   1 
ATOM   909  C  CA  . GLN A 1 108 ? 32.309 19.708  44.124 1.00 5.35  ? 108 GLN A CA  1 
ATOM   910  C  C   . GLN A 1 108 ? 33.605 19.621  43.296 1.00 6.35  ? 108 GLN A C   1 
ATOM   911  O  O   . GLN A 1 108 ? 34.243 20.613  43.095 1.00 6.46  ? 108 GLN A O   1 
ATOM   912  C  CB  . GLN A 1 108 ? 32.579 19.441  45.612 1.00 7.66  ? 108 GLN A CB  1 
ATOM   913  C  CG  . GLN A 1 108 ? 33.437 20.534  46.239 1.00 8.67  ? 108 GLN A CG  1 
ATOM   914  C  CD  . GLN A 1 108 ? 32.768 21.882  46.127 1.00 10.03 ? 108 GLN A CD  1 
ATOM   915  O  OE1 . GLN A 1 108 ? 31.658 22.076  46.600 1.00 11.57 ? 108 GLN A OE1 1 
ATOM   916  N  NE2 . GLN A 1 108 ? 33.446 22.828  45.502 1.00 10.31 ? 108 GLN A NE2 1 
ATOM   917  N  N   . ALA A 1 109 ? 33.930 18.408  42.864 1.00 6.91  ? 109 ALA A N   1 
ATOM   918  C  CA  . ALA A 1 109 ? 35.133 18.243  42.016 1.00 5.51  ? 109 ALA A CA  1 
ATOM   919  C  C   . ALA A 1 109 ? 34.925 18.925  40.655 1.00 7.36  ? 109 ALA A C   1 
ATOM   920  O  O   . ALA A 1 109 ? 35.863 19.491  40.144 1.00 7.19  ? 109 ALA A O   1 
ATOM   921  C  CB  . ALA A 1 109 ? 35.467 16.768  41.904 1.00 6.78  ? 109 ALA A CB  1 
ATOM   922  N  N   . LEU A 1 110 ? 33.700 18.856  40.140 1.00 7.07  ? 110 LEU A N   1 
ATOM   923  C  CA  . LEU A 1 110 ? 33.415 19.587  38.876 1.00 5.57  ? 110 LEU A CA  1 
ATOM   924  C  C   . LEU A 1 110 ? 33.562 21.095  39.107 1.00 7.53  ? 110 LEU A C   1 
ATOM   925  O  O   . LEU A 1 110 ? 34.058 21.784  38.262 1.00 6.72  ? 110 LEU A O   1 
ATOM   926  C  CB  . LEU A 1 110 ? 31.970 19.299  38.443 1.00 7.87  ? 110 LEU A CB  1 
ATOM   927  C  CG  . LEU A 1 110 ? 31.657 17.875  37.989 1.00 7.70  ? 110 LEU A CG  1 
ATOM   928  C  CD1 . LEU A 1 110 ? 30.160 17.720  37.784 1.00 8.96  ? 110 LEU A CD1 1 
ATOM   929  C  CD2 . LEU A 1 110 ? 32.396 17.565  36.700 1.00 10.09 ? 110 LEU A CD2 1 
ATOM   930  N  N   . LEU A 1 111 ? 33.011 21.545  40.223 1.00 7.07  ? 111 LEU A N   1 
ATOM   931  C  CA  . LEU A 1 111 ? 33.060 23.002  40.488 1.00 7.33  ? 111 LEU A CA  1 
ATOM   932  C  C   . LEU A 1 111 ? 34.498 23.463  40.726 1.00 8.77  ? 111 LEU A C   1 
ATOM   933  O  O   . LEU A 1 111 ? 34.836 24.551  40.322 1.00 7.65  ? 111 LEU A O   1 
ATOM   934  C  CB  . LEU A 1 111 ? 32.208 23.317  41.723 1.00 6.95  ? 111 LEU A CB  1 
ATOM   935  C  CG  . LEU A 1 111 ? 30.715 23.059  41.544 1.00 6.35  ? 111 LEU A CG  1 
ATOM   936  C  CD1 . LEU A 1 111 ? 29.981 23.201  42.867 1.00 9.16  ? 111 LEU A CD1 1 
ATOM   937  C  CD2 . LEU A 1 111 ? 30.142 23.999  40.492 1.00 9.23  ? 111 LEU A CD2 1 
ATOM   938  N  N   . ASP A 1 112 ? 35.261 22.612  41.387 1.00 7.18  ? 112 ASP A N   1 
ATOM   939  C  CA  . ASP A 1 112 ? 36.679 22.953  41.619 1.00 6.57  ? 112 ASP A CA  1 
ATOM   940  C  C   . ASP A 1 112 ? 37.439 23.026  40.287 1.00 7.21  ? 112 ASP A C   1 
ATOM   941  O  O   . ASP A 1 112 ? 38.245 23.924  40.095 1.00 8.30  ? 112 ASP A O   1 
ATOM   942  C  CB  . ASP A 1 112 ? 37.299 21.918  42.557 1.00 7.44  ? 112 ASP A CB  1 
ATOM   943  C  CG  . ASP A 1 112 ? 36.832 21.972  43.999 1.00 8.99  ? 112 ASP A CG  1 
ATOM   944  O  OD1 . ASP A 1 112 ? 36.191 22.949  44.375 1.00 10.30 ? 112 ASP A OD1 1 
ATOM   945  O  OD2 . ASP A 1 112 ? 37.147 21.027  44.728 1.00 12.36 ? 112 ASP A OD2 1 
ATOM   946  N  N   . LEU A 1 113 ? 37.163 22.077  39.407 1.00 7.31  ? 113 LEU A N   1 
ATOM   947  C  CA  . LEU A 1 113 ? 37.846 22.094  38.089 1.00 7.11  ? 113 LEU A CA  1 
ATOM   948  C  C   . LEU A 1 113 ? 37.378 23.307  37.268 1.00 7.29  ? 113 LEU A C   1 
ATOM   949  O  O   . LEU A 1 113 ? 38.175 23.890  36.594 1.00 8.48  ? 113 LEU A O   1 
ATOM   950  C  CB  . LEU A 1 113 ? 37.549 20.777  37.375 1.00 7.47  ? 113 LEU A CB  1 
ATOM   951  C  CG  . LEU A 1 113 ? 38.201 20.613  36.003 1.00 6.89  ? 113 LEU A CG  1 
ATOM   952  C  CD1 . LEU A 1 113 ? 39.699 20.880  36.074 1.00 8.58  ? 113 LEU A CD1 1 
ATOM   953  C  CD2 . LEU A 1 113 ? 37.923 19.231  35.436 1.00 8.77  ? 113 LEU A CD2 1 
ATOM   954  N  N   . HIS A 1 114 ? 36.083 23.624  37.362 1.00 7.55  ? 114 HIS A N   1 
ATOM   955  C  CA  . HIS A 1 114 ? 35.591 24.827  36.647 1.00 7.47  ? 114 HIS A CA  1 
ATOM   956  C  C   . HIS A 1 114 ? 36.322 26.085  37.147 1.00 7.59  ? 114 HIS A C   1 
ATOM   957  O  O   . HIS A 1 114 ? 36.667 26.921  36.349 1.00 9.27  ? 114 HIS A O   1 
ATOM   958  C  CB  . HIS A 1 114 ? 34.062 24.936  36.797 1.00 8.22  ? 114 HIS A CB  1 
ATOM   959  C  CG  . HIS A 1 114 ? 33.472 25.959  35.895 1.00 8.62  ? 114 HIS A CG  1 
ATOM   960  N  ND1 . HIS A 1 114 ? 33.577 27.310  36.150 1.00 10.47 ? 114 HIS A ND1 1 
ATOM   961  C  CD2 . HIS A 1 114 ? 32.809 25.839  34.729 1.00 8.44  ? 114 HIS A CD2 1 
ATOM   962  C  CE1 . HIS A 1 114 ? 32.985 27.973  35.184 1.00 7.87  ? 114 HIS A CE1 1 
ATOM   963  N  NE2 . HIS A 1 114 ? 32.509 27.099  34.305 1.00 8.58  ? 114 HIS A NE2 1 
ATOM   964  N  N   . ALA A 1 115 ? 36.500 26.157  38.451 1.00 9.21  ? 115 ALA A N   1 
ATOM   965  C  CA  . ALA A 1 115 ? 37.177 27.337  39.020 1.00 7.62  ? 115 ALA A CA  1 
ATOM   966  C  C   . ALA A 1 115 ? 38.642 27.398  38.557 1.00 7.96  ? 115 ALA A C   1 
ATOM   967  O  O   . ALA A 1 115 ? 39.138 28.486  38.331 1.00 10.38 ? 115 ALA A O   1 
ATOM   968  C  CB  . ALA A 1 115 ? 37.050 27.271  40.531 1.00 8.14  ? 115 ALA A CB  1 
ATOM   969  N  N   . LEU A 1 116 ? 39.276 26.239  38.433 1.00 9.50  ? 116 LEU A N   1 
ATOM   970  C  CA  . LEU A 1 116 ? 40.684 26.201  37.964 1.00 8.11  ? 116 LEU A CA  1 
ATOM   971  C  C   . LEU A 1 116 ? 40.727 26.665  36.504 1.00 9.44  ? 116 LEU A C   1 
ATOM   972  O  O   . LEU A 1 116 ? 41.565 27.461  36.149 1.00 10.31 ? 116 LEU A O   1 
ATOM   973  C  CB  . LEU A 1 116 ? 41.199 24.765  38.153 1.00 9.62  ? 116 LEU A CB  1 
ATOM   974  C  CG  . LEU A 1 116 ? 42.564 24.474  37.535 1.00 11.42 ? 116 LEU A CG  1 
ATOM   975  C  CD1 . LEU A 1 116 ? 43.631 25.357  38.159 1.00 13.59 ? 116 LEU A CD1 1 
ATOM   976  C  CD2 . LEU A 1 116 ? 42.929 23.011  37.698 1.00 12.70 ? 116 LEU A CD2 1 
ATOM   977  N  N   . GLY A 1 117 ? 39.779 26.171  35.739 1.00 9.33  ? 117 GLY A N   1 
ATOM   978  C  CA  . GLY A 1 117 ? 39.737 26.595  34.334 1.00 8.01  ? 117 GLY A CA  1 
ATOM   979  C  C   . GLY A 1 117 ? 39.497 28.076  34.182 1.00 8.31  ? 117 GLY A C   1 
ATOM   980  O  O   . GLY A 1 117 ? 40.045 28.686  33.298 1.00 10.83 ? 117 GLY A O   1 
ATOM   981  N  N   . SER A 1 118 ? 38.596 28.574  35.018 1.00 9.67  ? 118 SER A N   1 
ATOM   982  C  CA  A SER A 1 118 ? 38.322 30.035  35.001 0.36 9.25  ? 118 SER A CA  1 
ATOM   983  C  CA  B SER A 1 118 ? 38.323 30.031  34.996 0.64 9.16  ? 118 SER A CA  1 
ATOM   984  C  C   . SER A 1 118 ? 39.599 30.844  35.355 1.00 11.22 ? 118 SER A C   1 
ATOM   985  O  O   . SER A 1 118 ? 40.035 31.849  34.714 1.00 12.15 ? 118 SER A O   1 
ATOM   986  C  CB  A SER A 1 118 ? 37.192 30.364  35.943 0.36 11.77 ? 118 SER A CB  1 
ATOM   987  C  CB  B SER A 1 118 ? 37.175 30.352  35.914 0.64 11.77 ? 118 SER A CB  1 
ATOM   988  O  OG  A SER A 1 118 ? 36.092 29.492  35.755 0.36 11.70 ? 118 SER A OG  1 
ATOM   989  O  OG  B SER A 1 118 ? 36.836 31.727  35.810 0.64 12.07 ? 118 SER A OG  1 
ATOM   990  N  N   . ALA A 1 119 ? 40.259 30.355  36.391 1.00 10.36 ? 119 ALA A N   1 
ATOM   991  C  CA  . ALA A 1 119 ? 41.516 31.016  36.834 1.00 10.67 ? 119 ALA A CA  1 
ATOM   992  C  C   . ALA A 1 119 ? 42.590 30.957  35.744 1.00 12.80 ? 119 ALA A C   1 
ATOM   993  O  O   . ALA A 1 119 ? 43.414 31.875  35.677 1.00 15.68 ? 119 ALA A O   1 
ATOM   994  C  CB  . ALA A 1 119 ? 42.029 30.360  38.082 1.00 12.98 ? 119 ALA A CB  1 
ATOM   995  N  N   . GLN A 1 120 ? 42.623 29.871  34.997 1.00 10.41 ? 120 GLN A N   1 
ATOM   996  C  CA  . GLN A 1 120 ? 43.646 29.680  33.932 1.00 9.13  ? 120 GLN A CA  1 
ATOM   997  C  C   . GLN A 1 120 ? 43.163 30.267  32.594 1.00 11.16 ? 120 GLN A C   1 
ATOM   998  O  O   . GLN A 1 120 ? 43.847 30.057  31.611 1.00 13.41 ? 120 GLN A O   1 
ATOM   999  C  CB  . GLN A 1 120 ? 43.967 28.198  33.765 1.00 10.05 ? 120 GLN A CB  1 
ATOM   1000 C  CG  . GLN A 1 120 ? 44.591 27.530  34.984 1.00 15.07 ? 120 GLN A CG  1 
ATOM   1001 C  CD  . GLN A 1 120 ? 46.096 27.601  34.965 1.00 21.53 ? 120 GLN A CD  1 
ATOM   1002 O  OE1 . GLN A 1 120 ? 46.703 28.022  33.988 1.00 21.44 ? 120 GLN A OE1 1 
ATOM   1003 N  NE2 . GLN A 1 120 ? 46.707 27.196  36.061 1.00 26.31 ? 120 GLN A NE2 1 
ATOM   1004 N  N   . ALA A 1 121 ? 42.009 30.913  32.580 1.00 9.02  ? 121 ALA A N   1 
ATOM   1005 C  CA  . ALA A 1 121 ? 41.464 31.455  31.316 1.00 8.05  ? 121 ALA A CA  1 
ATOM   1006 C  C   . ALA A 1 121 ? 41.385 30.350  30.259 1.00 9.19  ? 121 ALA A C   1 
ATOM   1007 O  O   . ALA A 1 121 ? 41.866 30.562  29.150 1.00 7.19  ? 121 ALA A O   1 
ATOM   1008 C  CB  . ALA A 1 121 ? 42.266 32.649  30.842 1.00 11.50 ? 121 ALA A CB  1 
ATOM   1009 N  N   . ASP A 1 122 ? 40.719 29.257  30.626 1.00 6.75  ? 122 ASP A N   1 
ATOM   1010 C  CA  . ASP A 1 122 ? 40.509 28.102  29.709 1.00 7.03  ? 122 ASP A CA  1 
ATOM   1011 C  C   . ASP A 1 122 ? 39.008 27.946  29.460 1.00 7.09  ? 122 ASP A C   1 
ATOM   1012 O  O   . ASP A 1 122 ? 38.366 27.136  30.086 1.00 6.95  ? 122 ASP A O   1 
ATOM   1013 C  CB  . ASP A 1 122 ? 41.063 26.838  30.357 1.00 6.61  ? 122 ASP A CB  1 
ATOM   1014 C  CG  . ASP A 1 122 ? 41.168 25.644  29.426 1.00 6.20  ? 122 ASP A CG  1 
ATOM   1015 O  OD1 . ASP A 1 122 ? 40.459 25.634  28.409 1.00 7.37  ? 122 ASP A OD1 1 
ATOM   1016 O  OD2 . ASP A 1 122 ? 41.944 24.739  29.753 1.00 7.17  ? 122 ASP A OD2 1 
ATOM   1017 N  N   . PRO A 1 123 ? 38.428 28.747  28.551 1.00 5.42  ? 123 PRO A N   1 
ATOM   1018 C  CA  . PRO A 1 123 ? 36.992 28.711  28.351 1.00 7.20  ? 123 PRO A CA  1 
ATOM   1019 C  C   . PRO A 1 123 ? 36.448 27.437  27.693 1.00 6.59  ? 123 PRO A C   1 
ATOM   1020 O  O   . PRO A 1 123 ? 35.354 27.117  27.879 1.00 7.54  ? 123 PRO A O   1 
ATOM   1021 C  CB  . PRO A 1 123 ? 36.722 29.958  27.473 1.00 7.21  ? 123 PRO A CB  1 
ATOM   1022 C  CG  . PRO A 1 123 ? 38.010 30.172  26.721 1.00 7.47  ? 123 PRO A CG  1 
ATOM   1023 C  CD  . PRO A 1 123 ? 39.078 29.788  27.721 1.00 7.93  ? 123 PRO A CD  1 
ATOM   1024 N  N   . HIS A 1 124 ? 37.304 26.749  26.961 1.00 5.62  ? 124 HIS A N   1 
ATOM   1025 C  CA  . HIS A 1 124 ? 36.831 25.479  26.370 1.00 5.32  ? 124 HIS A CA  1 
ATOM   1026 C  C   . HIS A 1 124 ? 36.544 24.495  27.512 1.00 6.95  ? 124 HIS A C   1 
ATOM   1027 O  O   . HIS A 1 124 ? 35.536 23.823  27.473 1.00 7.52  ? 124 HIS A O   1 
ATOM   1028 C  CB  . HIS A 1 124 ? 37.864 24.916  25.393 1.00 6.71  ? 124 HIS A CB  1 
ATOM   1029 C  CG  . HIS A 1 124 ? 37.376 23.674  24.738 1.00 5.90  ? 124 HIS A CG  1 
ATOM   1030 N  ND1 . HIS A 1 124 ? 37.504 22.436  25.323 1.00 8.37  ? 124 HIS A ND1 1 
ATOM   1031 C  CD2 . HIS A 1 124 ? 36.717 23.482  23.575 1.00 7.54  ? 124 HIS A CD2 1 
ATOM   1032 C  CE1 . HIS A 1 124 ? 36.965 21.531  24.535 1.00 7.97  ? 124 HIS A CE1 1 
ATOM   1033 N  NE2 . HIS A 1 124 ? 36.474 22.145  23.458 1.00 8.25  ? 124 HIS A NE2 1 
ATOM   1034 N  N   . LEU A 1 125 ? 37.460 24.485  28.470 1.00 6.84  ? 125 LEU A N   1 
ATOM   1035 C  CA  A LEU A 1 125 ? 37.266 23.542  29.615 0.54 6.42  ? 125 LEU A CA  1 
ATOM   1036 C  CA  B LEU A 1 125 ? 37.253 23.541  29.600 0.46 6.41  ? 125 LEU A CA  1 
ATOM   1037 C  C   . LEU A 1 125 ? 35.957 23.886  30.375 1.00 6.75  ? 125 LEU A C   1 
ATOM   1038 O  O   . LEU A 1 125 ? 35.081 23.083  30.741 1.00 7.24  ? 125 LEU A O   1 
ATOM   1039 C  CB  A LEU A 1 125 ? 38.506 23.647  30.513 0.54 6.81  ? 125 LEU A CB  1 
ATOM   1040 C  CB  B LEU A 1 125 ? 38.470 23.584  30.529 0.46 6.87  ? 125 LEU A CB  1 
ATOM   1041 C  CG  A LEU A 1 125 ? 38.585 22.780  31.770 0.54 7.32  ? 125 LEU A CG  1 
ATOM   1042 C  CG  B LEU A 1 125 ? 38.315 22.764  31.808 0.46 7.96  ? 125 LEU A CG  1 
ATOM   1043 C  CD1 A LEU A 1 125 ? 37.752 23.342  32.911 0.54 8.41  ? 125 LEU A CD1 1 
ATOM   1044 C  CD1 B LEU A 1 125 ? 38.413 21.280  31.508 0.46 6.89  ? 125 LEU A CD1 1 
ATOM   1045 C  CD2 A LEU A 1 125 ? 38.247 21.329  31.483 0.54 7.26  ? 125 LEU A CD2 1 
ATOM   1046 C  CD2 B LEU A 1 125 ? 39.332 23.167  32.857 0.46 9.35  ? 125 LEU A CD2 1 
ATOM   1047 N  N   . CYS A 1 126 ? 35.851 25.182  30.626 1.00 6.51  ? 126 CYS A N   1 
ATOM   1048 C  CA  . CYS A 1 126 ? 34.682 25.649  31.410 1.00 6.66  ? 126 CYS A CA  1 
ATOM   1049 C  C   . CYS A 1 126 ? 33.388 25.339  30.669 1.00 7.96  ? 126 CYS A C   1 
ATOM   1050 O  O   . CYS A 1 126 ? 32.457 24.872  31.285 1.00 10.09 ? 126 CYS A O   1 
ATOM   1051 C  CB  . CYS A 1 126 ? 34.784 27.147  31.622 1.00 6.55  ? 126 CYS A CB  1 
ATOM   1052 S  SG  . CYS A 1 126 ? 36.098 27.583  32.800 1.00 10.18 ? 126 CYS A SG  1 
ATOM   1053 N  N   . ASP A 1 127 ? 33.363 25.618  29.386 1.00 8.05  ? 127 ASP A N   1 
ATOM   1054 C  CA  . ASP A 1 127 ? 32.160 25.293  28.582 1.00 9.79  ? 127 ASP A CA  1 
ATOM   1055 C  C   . ASP A 1 127 ? 31.889 23.783  28.573 1.00 8.97  ? 127 ASP A C   1 
ATOM   1056 O  O   . ASP A 1 127 ? 30.747 23.386  28.606 1.00 9.34  ? 127 ASP A O   1 
ATOM   1057 C  CB  . ASP A 1 127 ? 32.307 25.842  27.159 1.00 12.68 ? 127 ASP A CB  1 
ATOM   1058 C  CG  . ASP A 1 127 ? 31.262 25.326  26.172 1.00 16.50 ? 127 ASP A CG  1 
ATOM   1059 O  OD1 . ASP A 1 127 ? 30.177 25.878  26.149 1.00 19.79 ? 127 ASP A OD1 1 
ATOM   1060 O  OD2 . ASP A 1 127 ? 31.562 24.375  25.437 1.00 22.07 ? 127 ASP A OD2 1 
ATOM   1061 N  N   . PHE A 1 128 ? 32.956 23.006  28.440 1.00 7.86  ? 128 PHE A N   1 
ATOM   1062 C  CA  . PHE A 1 128 ? 32.785 21.536  28.378 1.00 5.83  ? 128 PHE A CA  1 
ATOM   1063 C  C   . PHE A 1 128 ? 32.055 21.035  29.639 1.00 7.67  ? 128 PHE A C   1 
ATOM   1064 O  O   . PHE A 1 128 ? 31.157 20.213  29.550 1.00 6.27  ? 128 PHE A O   1 
ATOM   1065 C  CB  . PHE A 1 128 ? 34.181 20.907  28.223 1.00 5.66  ? 128 PHE A CB  1 
ATOM   1066 C  CG  . PHE A 1 128 ? 34.240 19.420  28.458 1.00 6.06  ? 128 PHE A CG  1 
ATOM   1067 C  CD1 . PHE A 1 128 ? 33.962 18.529  27.438 1.00 7.96  ? 128 PHE A CD1 1 
ATOM   1068 C  CD2 . PHE A 1 128 ? 34.562 18.915  29.704 1.00 9.66  ? 128 PHE A CD2 1 
ATOM   1069 C  CE1 . PHE A 1 128 ? 34.015 17.163  27.656 1.00 7.55  ? 128 PHE A CE1 1 
ATOM   1070 C  CE2 . PHE A 1 128 ? 34.624 17.548  29.918 1.00 11.01 ? 128 PHE A CE2 1 
ATOM   1071 C  CZ  . PHE A 1 128 ? 34.349 16.676  28.895 1.00 8.28  ? 128 PHE A CZ  1 
ATOM   1072 N  N   . LEU A 1 129 ? 32.470 21.554  30.783 1.00 5.94  ? 129 LEU A N   1 
ATOM   1073 C  CA  . LEU A 1 129 ? 31.865 21.111  32.054 1.00 6.04  ? 129 LEU A CA  1 
ATOM   1074 C  C   . LEU A 1 129 ? 30.427 21.626  32.168 1.00 9.43  ? 129 LEU A C   1 
ATOM   1075 O  O   . LEU A 1 129 ? 29.571 20.915  32.620 1.00 8.85  ? 129 LEU A O   1 
ATOM   1076 C  CB  . LEU A 1 129 ? 32.731 21.675  33.183 1.00 6.58  ? 129 LEU A CB  1 
ATOM   1077 C  CG  . LEU A 1 129 ? 34.110 21.045  33.348 1.00 8.02  ? 129 LEU A CG  1 
ATOM   1078 C  CD1 . LEU A 1 129 ? 34.857 21.715  34.492 1.00 9.99  ? 129 LEU A CD1 1 
ATOM   1079 C  CD2 . LEU A 1 129 ? 34.005 19.543  33.577 1.00 9.43  ? 129 LEU A CD2 1 
ATOM   1080 N  N   . GLU A 1 130 ? 30.245 22.876  31.771 1.00 10.01 ? 130 GLU A N   1 
ATOM   1081 C  CA  . GLU A 1 130 ? 28.894 23.469  31.814 1.00 12.81 ? 130 GLU A CA  1 
ATOM   1082 C  C   . GLU A 1 130 ? 27.970 22.700  30.878 1.00 12.16 ? 130 GLU A C   1 
ATOM   1083 O  O   . GLU A 1 130 ? 26.831 22.481  31.265 1.00 16.43 ? 130 GLU A O   1 
ATOM   1084 C  CB  . GLU A 1 130 ? 28.962 24.921  31.330 1.00 11.18 ? 130 GLU A CB  1 
ATOM   1085 C  CG  . GLU A 1 130 ? 29.602 25.880  32.310 1.00 12.62 ? 130 GLU A CG  1 
ATOM   1086 C  CD  . GLU A 1 130 ? 30.121 27.161  31.675 1.00 21.39 ? 130 GLU A CD  1 
ATOM   1087 O  OE1 . GLU A 1 130 ? 29.747 27.442  30.525 1.00 23.02 ? 130 GLU A OE1 1 
ATOM   1088 O  OE2 . GLU A 1 130 ? 30.904 27.862  32.325 1.00 14.75 ? 130 GLU A OE2 1 
ATOM   1089 N  N   . SER A 1 131 ? 28.436 22.358  29.681 1.00 10.29 ? 131 SER A N   1 
ATOM   1090 C  CA  . SER A 1 131 ? 27.572 21.708  28.660 1.00 9.76  ? 131 SER A CA  1 
ATOM   1091 C  C   . SER A 1 131 ? 27.301 20.225  28.926 1.00 11.70 ? 131 SER A C   1 
ATOM   1092 O  O   . SER A 1 131 ? 26.244 19.756  28.545 1.00 13.16 ? 131 SER A O   1 
ATOM   1093 C  CB  . SER A 1 131 ? 28.189 21.876  27.316 1.00 16.87 ? 131 SER A CB  1 
ATOM   1094 O  OG  . SER A 1 131 ? 28.295 23.256  27.019 1.00 22.43 ? 131 SER A OG  1 
ATOM   1095 N  N   . HIS A 1 132 ? 28.228 19.525  29.557 1.00 10.47 ? 132 HIS A N   1 
ATOM   1096 C  CA  . HIS A 1 132 ? 28.022 18.061  29.678 1.00 10.84 ? 132 HIS A CA  1 
ATOM   1097 C  C   . HIS A 1 132 ? 28.033 17.510  31.113 1.00 10.69 ? 132 HIS A C   1 
ATOM   1098 O  O   . HIS A 1 132 ? 27.830 16.317  31.267 1.00 11.22 ? 132 HIS A O   1 
ATOM   1099 C  CB  . HIS A 1 132 ? 29.115 17.349  28.877 1.00 12.06 ? 132 HIS A CB  1 
ATOM   1100 C  CG  . HIS A 1 132 ? 29.109 17.724  27.441 1.00 13.89 ? 132 HIS A CG  1 
ATOM   1101 N  ND1 . HIS A 1 132 ? 28.062 17.407  26.612 1.00 17.59 ? 132 HIS A ND1 1 
ATOM   1102 C  CD2 . HIS A 1 132 ? 30.013 18.378  26.688 1.00 17.79 ? 132 HIS A CD2 1 
ATOM   1103 C  CE1 . HIS A 1 132 ? 28.316 17.858  25.405 1.00 21.22 ? 132 HIS A CE1 1 
ATOM   1104 N  NE2 . HIS A 1 132 ? 29.500 18.459  25.427 1.00 21.61 ? 132 HIS A NE2 1 
ATOM   1105 N  N   . PHE A 1 133 ? 28.299 18.344  32.109 1.00 7.93  ? 133 PHE A N   1 
ATOM   1106 C  CA  . PHE A 1 133 ? 28.407 17.799  33.492 1.00 6.26  ? 133 PHE A CA  1 
ATOM   1107 C  C   . PHE A 1 133 ? 27.605 18.565  34.559 1.00 7.83  ? 133 PHE A C   1 
ATOM   1108 O  O   . PHE A 1 133 ? 26.958 17.934  35.339 1.00 7.96  ? 133 PHE A O   1 
ATOM   1109 C  CB  . PHE A 1 133 ? 29.874 17.795  33.937 1.00 7.83  ? 133 PHE A CB  1 
ATOM   1110 C  CG  . PHE A 1 133 ? 30.678 16.736  33.225 1.00 6.40  ? 133 PHE A CG  1 
ATOM   1111 C  CD1 . PHE A 1 133 ? 31.197 16.967  31.964 1.00 8.88  ? 133 PHE A CD1 1 
ATOM   1112 C  CD2 . PHE A 1 133 ? 30.865 15.489  33.798 1.00 8.38  ? 133 PHE A CD2 1 
ATOM   1113 C  CE1 . PHE A 1 133 ? 31.893 15.974  31.298 1.00 10.40 ? 133 PHE A CE1 1 
ATOM   1114 C  CE2 . PHE A 1 133 ? 31.577 14.506  33.136 1.00 9.75  ? 133 PHE A CE2 1 
ATOM   1115 C  CZ  . PHE A 1 133 ? 32.081 14.747  31.886 1.00 9.22  ? 133 PHE A CZ  1 
ATOM   1116 N  N   . LEU A 1 134 ? 27.701 19.885  34.576 1.00 9.20  ? 134 LEU A N   1 
ATOM   1117 C  CA  . LEU A 1 134 ? 27.096 20.639  35.726 1.00 7.09  ? 134 LEU A CA  1 
ATOM   1118 C  C   . LEU A 1 134 ? 25.572 20.448  35.840 1.00 7.69  ? 134 LEU A C   1 
ATOM   1119 O  O   . LEU A 1 134 ? 25.099 20.225  36.944 1.00 7.41  ? 134 LEU A O   1 
ATOM   1120 C  CB  . LEU A 1 134 ? 27.473 22.127  35.605 1.00 8.15  ? 134 LEU A CB  1 
ATOM   1121 C  CG  . LEU A 1 134 ? 28.957 22.482  35.613 1.00 9.70  ? 134 LEU A CG  1 
ATOM   1122 C  CD1 . LEU A 1 134 ? 29.125 23.993  35.684 1.00 10.58 ? 134 LEU A CD1 1 
ATOM   1123 C  CD2 . LEU A 1 134 ? 29.673 21.820  36.774 1.00 9.52  ? 134 LEU A CD2 1 
ATOM   1124 N  N   . ASP A 1 135 ? 24.879 20.609  34.725 1.00 9.49  ? 135 ASP A N   1 
ATOM   1125 C  CA  . ASP A 1 135 ? 23.410 20.469  34.787 1.00 9.30  ? 135 ASP A CA  1 
ATOM   1126 C  C   . ASP A 1 135 ? 23.020 18.993  34.944 1.00 9.52  ? 135 ASP A C   1 
ATOM   1127 O  O   . ASP A 1 135 ? 22.074 18.709  35.611 1.00 9.48  ? 135 ASP A O   1 
ATOM   1128 C  CB  . ASP A 1 135 ? 22.733 21.122  33.576 1.00 9.79  ? 135 ASP A CB  1 
ATOM   1129 C  CG  . ASP A 1 135 ? 21.227 21.144  33.756 1.00 13.21 ? 135 ASP A CG  1 
ATOM   1130 O  OD1 . ASP A 1 135 ? 20.789 21.645  34.789 1.00 12.03 ? 135 ASP A OD1 1 
ATOM   1131 O  OD2 . ASP A 1 135 ? 20.528 20.618  32.889 1.00 18.53 ? 135 ASP A OD2 1 
ATOM   1132 N  N   A GLU A 1 136 ? 23.778 18.104  34.315 0.64 9.72  ? 136 GLU A N   1 
ATOM   1133 N  N   B GLU A 1 136 ? 23.775 18.096  34.317 0.36 9.79  ? 136 GLU A N   1 
ATOM   1134 C  CA  A GLU A 1 136 ? 23.467 16.667  34.525 0.64 11.25 ? 136 GLU A CA  1 
ATOM   1135 C  CA  B GLU A 1 136 ? 23.474 16.655  34.520 0.36 11.27 ? 136 GLU A CA  1 
ATOM   1136 C  C   A GLU A 1 136 ? 23.559 16.316  36.012 0.64 10.39 ? 136 GLU A C   1 
ATOM   1137 C  C   B GLU A 1 136 ? 23.563 16.316  36.011 0.36 10.37 ? 136 GLU A C   1 
ATOM   1138 O  O   A GLU A 1 136 ? 22.733 15.590  36.490 0.64 10.83 ? 136 GLU A O   1 
ATOM   1139 O  O   B GLU A 1 136 ? 22.712 15.588  36.497 0.36 10.87 ? 136 GLU A O   1 
ATOM   1140 C  CB  A GLU A 1 136 ? 24.441 15.801  33.723 0.64 13.38 ? 136 GLU A CB  1 
ATOM   1141 C  CB  B GLU A 1 136 ? 24.441 15.788  33.713 0.36 13.38 ? 136 GLU A CB  1 
ATOM   1142 C  CG  A GLU A 1 136 ? 24.312 16.010  32.230 0.64 17.30 ? 136 GLU A CG  1 
ATOM   1143 C  CG  B GLU A 1 136 ? 24.072 15.695  32.246 0.36 17.49 ? 136 GLU A CG  1 
ATOM   1144 C  CD  A GLU A 1 136 ? 22.929 15.674  31.709 0.64 17.73 ? 136 GLU A CD  1 
ATOM   1145 C  CD  B GLU A 1 136 ? 24.631 16.823  31.402 0.36 15.90 ? 136 GLU A CD  1 
ATOM   1146 O  OE1 A GLU A 1 136 ? 22.507 14.520  31.888 0.64 26.01 ? 136 GLU A OE1 1 
ATOM   1147 O  OE1 B GLU A 1 136 ? 25.230 17.734  31.985 0.36 11.69 ? 136 GLU A OE1 1 
ATOM   1148 O  OE2 A GLU A 1 136 ? 22.285 16.560  31.132 0.64 26.51 ? 136 GLU A OE2 1 
ATOM   1149 O  OE2 B GLU A 1 136 ? 24.467 16.782  30.169 0.36 16.38 ? 136 GLU A OE2 1 
ATOM   1150 N  N   A GLU A 1 137 ? 24.554 16.867  36.694 0.64 7.79  ? 137 GLU A N   1 
ATOM   1151 N  N   B GLU A 1 137 ? 24.573 16.851  36.695 0.36 7.86  ? 137 GLU A N   1 
ATOM   1152 C  CA  A GLU A 1 137 ? 24.732 16.548  38.114 0.64 7.59  ? 137 GLU A CA  1 
ATOM   1153 C  CA  B GLU A 1 137 ? 24.752 16.549  38.131 0.36 7.67  ? 137 GLU A CA  1 
ATOM   1154 C  C   A GLU A 1 137 ? 23.611 17.189  38.941 0.64 7.11  ? 137 GLU A C   1 
ATOM   1155 C  C   B GLU A 1 137 ? 23.585 17.172  38.904 0.36 7.18  ? 137 GLU A C   1 
ATOM   1156 O  O   A GLU A 1 137 ? 23.088 16.566  39.825 0.64 7.93  ? 137 GLU A O   1 
ATOM   1157 O  O   B GLU A 1 137 ? 23.103 16.558  39.845 0.36 7.97  ? 137 GLU A O   1 
ATOM   1158 C  CB  A GLU A 1 137 ? 26.134 17.029  38.513 0.64 9.34  ? 137 GLU A CB  1 
ATOM   1159 C  CB  B GLU A 1 137 ? 26.100 17.088  38.625 0.36 9.33  ? 137 GLU A CB  1 
ATOM   1160 C  CG  A GLU A 1 137 ? 26.604 16.537  39.845 0.64 5.73  ? 137 GLU A CG  1 
ATOM   1161 C  CG  B GLU A 1 137 ? 27.229 16.085  38.633 0.36 8.03  ? 137 GLU A CG  1 
ATOM   1162 C  CD  A GLU A 1 137 ? 26.644 15.026  39.897 0.64 8.82  ? 137 GLU A CD  1 
ATOM   1163 C  CD  B GLU A 1 137 ? 26.866 14.750  39.250 0.36 9.09  ? 137 GLU A CD  1 
ATOM   1164 O  OE1 A GLU A 1 137 ? 26.966 14.398  38.882 0.64 12.10 ? 137 GLU A OE1 1 
ATOM   1165 O  OE1 B GLU A 1 137 ? 26.499 14.716  40.440 0.36 12.71 ? 137 GLU A OE1 1 
ATOM   1166 O  OE2 A GLU A 1 137 ? 26.332 14.521  40.944 0.64 14.18 ? 137 GLU A OE2 1 
ATOM   1167 O  OE2 B GLU A 1 137 ? 26.953 13.762  38.532 0.36 17.31 ? 137 GLU A OE2 1 
ATOM   1168 N  N   . VAL A 1 138 ? 23.309 18.444  38.611 1.00 6.35  ? 138 VAL A N   1 
ATOM   1169 C  CA  . VAL A 1 138 ? 22.210 19.104  39.362 1.00 8.05  ? 138 VAL A CA  1 
ATOM   1170 C  C   . VAL A 1 138 ? 20.904 18.306  39.208 1.00 7.04  ? 138 VAL A C   1 
ATOM   1171 O  O   . VAL A 1 138 ? 20.202 18.140  40.182 1.00 7.21  ? 138 VAL A O   1 
ATOM   1172 C  CB  . VAL A 1 138 ? 22.063 20.570  38.909 1.00 4.63  ? 138 VAL A CB  1 
ATOM   1173 C  CG1 . VAL A 1 138 ? 20.669 21.118  39.201 1.00 8.74  ? 138 VAL A CG1 1 
ATOM   1174 C  CG2 . VAL A 1 138 ? 23.104 21.454  39.579 1.00 7.25  ? 138 VAL A CG2 1 
ATOM   1175 N  N   . LYS A 1 139 ? 20.619 17.881  37.993 1.00 6.11  ? 139 LYS A N   1 
ATOM   1176 C  CA  . LYS A 1 139 ? 19.364 17.143  37.763 1.00 6.67  ? 139 LYS A CA  1 
ATOM   1177 C  C   . LYS A 1 139 ? 19.389 15.827  38.551 1.00 8.41  ? 139 LYS A C   1 
ATOM   1178 O  O   . LYS A 1 139 ? 18.365 15.447  39.094 1.00 8.52  ? 139 LYS A O   1 
ATOM   1179 C  CB  . LYS A 1 139 ? 19.228 16.878  36.264 1.00 10.16 ? 139 LYS A CB  1 
ATOM   1180 C  CG  . LYS A 1 139 ? 18.764 18.057  35.425 1.00 11.22 ? 139 LYS A CG  1 
ATOM   1181 C  CD  . LYS A 1 139 ? 18.573 17.699  33.968 1.00 17.53 ? 139 LYS A CD  1 
ATOM   1182 C  CE  . LYS A 1 139 ? 19.806 17.132  33.300 1.00 23.38 ? 139 LYS A CE  1 
ATOM   1183 N  NZ  . LYS A 1 139 ? 19.479 16.547  31.977 1.00 34.70 ? 139 LYS A NZ  1 
ATOM   1184 N  N   . LEU A 1 140 ? 20.550 15.180  38.584 1.00 8.20  ? 140 LEU A N   1 
ATOM   1185 C  CA  . LEU A 1 140 ? 20.590 13.861  39.250 1.00 8.66  ? 140 LEU A CA  1 
ATOM   1186 C  C   . LEU A 1 140 ? 20.429 14.035  40.759 1.00 9.88  ? 140 LEU A C   1 
ATOM   1187 O  O   . LEU A 1 140 ? 19.762 13.247  41.392 1.00 8.88  ? 140 LEU A O   1 
ATOM   1188 C  CB  . LEU A 1 140 ? 21.915 13.179  38.894 1.00 7.65  ? 140 LEU A CB  1 
ATOM   1189 C  CG  . LEU A 1 140 ? 22.145 11.826  39.564 1.00 8.51  ? 140 LEU A CG  1 
ATOM   1190 C  CD1 . LEU A 1 140 ? 21.030 10.856  39.205 1.00 10.22 ? 140 LEU A CD1 1 
ATOM   1191 C  CD2 . LEU A 1 140 ? 23.498 11.262  39.166 1.00 11.09 ? 140 LEU A CD2 1 
ATOM   1192 N  N   . ILE A 1 141 ? 21.077 15.054  41.298 1.00 6.55  ? 141 ILE A N   1 
ATOM   1193 C  CA  . ILE A 1 141 ? 20.987 15.283  42.768 1.00 6.01  ? 141 ILE A CA  1 
ATOM   1194 C  C   . ILE A 1 141 ? 19.539 15.649  43.152 1.00 7.67  ? 141 ILE A C   1 
ATOM   1195 O  O   . ILE A 1 141 ? 19.095 15.237  44.181 1.00 7.79  ? 141 ILE A O   1 
ATOM   1196 C  CB  . ILE A 1 141 ? 22.046 16.315  43.218 1.00 7.11  ? 141 ILE A CB  1 
ATOM   1197 C  CG1 . ILE A 1 141 ? 23.455 15.743  43.026 1.00 7.17  ? 141 ILE A CG1 1 
ATOM   1198 C  CG2 . ILE A 1 141 ? 21.813 16.753  44.654 1.00 10.30 ? 141 ILE A CG2 1 
ATOM   1199 C  CD1 . ILE A 1 141 ? 24.579 16.746  43.151 1.00 8.87  ? 141 ILE A CD1 1 
ATOM   1200 N  N   . LYS A 1 142 ? 18.879 16.412  42.292 1.00 6.96  ? 142 LYS A N   1 
ATOM   1201 C  CA  . LYS A 1 142 ? 17.455 16.733  42.572 1.00 7.40  ? 142 LYS A CA  1 
ATOM   1202 C  C   . LYS A 1 142 ? 16.605 15.456  42.578 1.00 7.91  ? 142 LYS A C   1 
ATOM   1203 O  O   . LYS A 1 142 ? 15.768 15.319  43.434 1.00 7.10  ? 142 LYS A O   1 
ATOM   1204 C  CB  . LYS A 1 142 ? 16.977 17.761  41.542 1.00 6.12  ? 142 LYS A CB  1 
ATOM   1205 C  CG  . LYS A 1 142 ? 15.480 18.062  41.573 1.00 6.23  ? 142 LYS A CG  1 
ATOM   1206 C  CD  . LYS A 1 142 ? 15.008 18.641  42.887 1.00 6.40  ? 142 LYS A CD  1 
ATOM   1207 C  CE  . LYS A 1 142 ? 13.666 19.334  42.782 1.00 6.05  ? 142 LYS A CE  1 
ATOM   1208 N  NZ  . LYS A 1 142 ? 12.553 18.376  42.564 1.00 6.51  ? 142 LYS A NZ  1 
ATOM   1209 N  N   . LYS A 1 143 ? 16.859 14.628  41.595 1.00 7.63  ? 143 LYS A N   1 
ATOM   1210 C  CA  A LYS A 1 143 ? 16.113 13.342  41.540 0.48 7.75  ? 143 LYS A CA  1 
ATOM   1211 C  CA  B LYS A 1 143 ? 16.117 13.340  41.536 0.52 7.74  ? 143 LYS A CA  1 
ATOM   1212 C  C   . LYS A 1 143 ? 16.335 12.481  42.806 1.00 8.04  ? 143 LYS A C   1 
ATOM   1213 O  O   . LYS A 1 143 ? 15.459 11.900  43.488 1.00 8.35  ? 143 LYS A O   1 
ATOM   1214 C  CB  A LYS A 1 143 ? 16.535 12.562  40.291 0.48 8.30  ? 143 LYS A CB  1 
ATOM   1215 C  CB  B LYS A 1 143 ? 16.558 12.568  40.289 0.52 8.26  ? 143 LYS A CB  1 
ATOM   1216 C  CG  A LYS A 1 143 ? 15.874 11.199  40.140 0.48 10.84 ? 143 LYS A CG  1 
ATOM   1217 C  CG  B LYS A 1 143 ? 15.961 11.177  40.147 0.52 10.87 ? 143 LYS A CG  1 
ATOM   1218 C  CD  A LYS A 1 143 ? 16.313 10.467  38.898 0.48 11.57 ? 143 LYS A CD  1 
ATOM   1219 C  CD  B LYS A 1 143 ? 14.457 11.209  40.114 0.52 17.01 ? 143 LYS A CD  1 
ATOM   1220 C  CE  A LYS A 1 143 ? 15.767 11.082  37.628 0.48 16.86 ? 143 LYS A CE  1 
ATOM   1221 C  CE  B LYS A 1 143 ? 13.922 11.904  38.883 0.52 16.64 ? 143 LYS A CE  1 
ATOM   1222 N  NZ  A LYS A 1 143 ? 16.015 10.207  36.457 0.48 20.67 ? 143 LYS A NZ  1 
ATOM   1223 N  NZ  B LYS A 1 143 ? 12.442 11.879  38.845 0.52 21.32 ? 143 LYS A NZ  1 
ATOM   1224 N  N   . MET A 1 144 ? 17.603 12.477  43.191 1.00 8.73  ? 144 MET A N   1 
ATOM   1225 C  CA  . MET A 1 144 ? 17.959 11.673  44.386 1.00 8.74  ? 144 MET A CA  1 
ATOM   1226 C  C   . MET A 1 144 ? 17.336 12.288  45.639 1.00 9.23  ? 144 MET A C   1 
ATOM   1227 O  O   . MET A 1 144 ? 16.949 11.555  46.517 1.00 9.31  ? 144 MET A O   1 
ATOM   1228 C  CB  . MET A 1 144 ? 19.481 11.576  44.559 1.00 10.17 ? 144 MET A CB  1 
ATOM   1229 C  CG  . MET A 1 144 ? 20.128 10.614  43.605 1.00 8.71  ? 144 MET A CG  1 
ATOM   1230 S  SD  . MET A 1 144 ? 21.903 10.577  43.932 1.00 9.16  ? 144 MET A SD  1 
ATOM   1231 C  CE  . MET A 1 144 ? 22.384 9.308   42.762 1.00 8.83  ? 144 MET A CE  1 
ATOM   1232 N  N   . GLY A 1 145 ? 17.329 13.612  45.723 1.00 7.06  ? 145 GLY A N   1 
ATOM   1233 C  CA  . GLY A 1 145 ? 16.636 14.210  46.876 1.00 6.79  ? 145 GLY A CA  1 
ATOM   1234 C  C   . GLY A 1 145 ? 15.127 13.931  46.883 1.00 6.14  ? 145 GLY A C   1 
ATOM   1235 O  O   . GLY A 1 145 ? 14.596 13.724  47.949 1.00 6.18  ? 145 GLY A O   1 
ATOM   1236 N  N   . ASP A 1 146 ? 14.523 13.965  45.699 1.00 7.15  ? 146 ASP A N   1 
ATOM   1237 C  CA  . ASP A 1 146 ? 13.085 13.634  45.586 1.00 7.30  ? 146 ASP A CA  1 
ATOM   1238 C  C   . ASP A 1 146 ? 12.883 12.194  46.072 1.00 7.43  ? 146 ASP A C   1 
ATOM   1239 O  O   . ASP A 1 146 ? 11.962 11.955  46.835 1.00 7.03  ? 146 ASP A O   1 
ATOM   1240 C  CB  . ASP A 1 146 ? 12.643 13.765  44.129 1.00 5.97  ? 146 ASP A CB  1 
ATOM   1241 C  CG  . ASP A 1 146 ? 12.605 15.184  43.572 1.00 7.81  ? 146 ASP A CG  1 
ATOM   1242 O  OD1 . ASP A 1 146 ? 12.720 16.140  44.351 1.00 6.80  ? 146 ASP A OD1 1 
ATOM   1243 O  OD2 . ASP A 1 146 ? 12.454 15.311  42.357 1.00 10.55 ? 146 ASP A OD2 1 
ATOM   1244 N  N   . HIS A 1 147 ? 13.759 11.300  45.624 1.00 7.78  ? 147 HIS A N   1 
ATOM   1245 C  CA  . HIS A 1 147 ? 13.692 9.889   46.091 1.00 7.86  ? 147 HIS A CA  1 
ATOM   1246 C  C   . HIS A 1 147 ? 13.889 9.812   47.619 1.00 9.17  ? 147 HIS A C   1 
ATOM   1247 O  O   . HIS A 1 147 ? 13.070 9.142   48.233 1.00 7.57  ? 147 HIS A O   1 
ATOM   1248 C  CB  . HIS A 1 147 ? 14.718 9.007   45.354 1.00 6.63  ? 147 HIS A CB  1 
ATOM   1249 C  CG  . HIS A 1 147 ? 14.428 8.735   43.919 1.00 8.41  ? 147 HIS A CG  1 
ATOM   1250 N  ND1 . HIS A 1 147 ? 13.202 8.975   43.343 1.00 8.65  ? 147 HIS A ND1 1 
ATOM   1251 C  CD2 . HIS A 1 147 ? 15.209 8.218   42.949 1.00 8.47  ? 147 HIS A CD2 1 
ATOM   1252 C  CE1 . HIS A 1 147 ? 13.246 8.626   42.077 1.00 8.96  ? 147 HIS A CE1 1 
ATOM   1253 N  NE2 . HIS A 1 147 ? 14.464 8.150   41.813 1.00 9.16  ? 147 HIS A NE2 1 
ATOM   1254 N  N   A LEU A 1 148 ? 14.848 10.469  48.147 0.62 7.32  ? 148 LEU A N   1 
ATOM   1255 N  N   B LEU A 1 148 ? 14.846 10.468  48.152 0.38 7.35  ? 148 LEU A N   1 
ATOM   1256 C  CA  A LEU A 1 148 ? 15.067 10.399  49.614 0.62 7.71  ? 148 LEU A CA  1 
ATOM   1257 C  CA  B LEU A 1 148 ? 15.074 10.396  49.617 0.38 7.77  ? 148 LEU A CA  1 
ATOM   1258 C  C   A LEU A 1 148 ? 13.792 10.815  50.369 0.62 8.78  ? 148 LEU A C   1 
ATOM   1259 C  C   B LEU A 1 148 ? 13.799 10.811  50.366 0.38 8.82  ? 148 LEU A C   1 
ATOM   1260 O  O   A LEU A 1 148 ? 13.435 10.155  51.322 0.62 9.30  ? 148 LEU A O   1 
ATOM   1261 O  O   B LEU A 1 148 ? 13.437 10.137  51.326 0.38 9.36  ? 148 LEU A O   1 
ATOM   1262 C  CB  A LEU A 1 148 ? 16.255 11.293  50.020 0.62 11.25 ? 148 LEU A CB  1 
ATOM   1263 C  CB  B LEU A 1 148 ? 16.251 11.310  49.978 0.38 11.23 ? 148 LEU A CB  1 
ATOM   1264 C  CG  A LEU A 1 148 ? 17.649 10.695  49.857 0.62 11.52 ? 148 LEU A CG  1 
ATOM   1265 C  CG  B LEU A 1 148 ? 17.123 10.857  51.142 0.38 14.47 ? 148 LEU A CG  1 
ATOM   1266 C  CD1 A LEU A 1 148 ? 18.707 11.751  50.136 0.62 11.35 ? 148 LEU A CD1 1 
ATOM   1267 C  CD1 B LEU A 1 148 ? 17.784 9.525   50.825 0.38 16.95 ? 148 LEU A CD1 1 
ATOM   1268 C  CD2 A LEU A 1 148 ? 17.831 9.512   50.791 0.62 17.05 ? 148 LEU A CD2 1 
ATOM   1269 C  CD2 B LEU A 1 148 ? 18.180 11.909  51.438 0.38 12.88 ? 148 LEU A CD2 1 
ATOM   1270 N  N   . THR A 1 149 ? 13.167 11.897  49.933 1.00 7.70  ? 149 THR A N   1 
ATOM   1271 C  CA  . THR A 1 149 ? 11.973 12.406  50.639 1.00 8.00  ? 149 THR A CA  1 
ATOM   1272 C  C   . THR A 1 149 ? 10.861 11.356  50.585 1.00 8.28  ? 149 THR A C   1 
ATOM   1273 O  O   . THR A 1 149 ? 10.177 11.176  51.581 1.00 9.15  ? 149 THR A O   1 
ATOM   1274 C  CB  . THR A 1 149 ? 11.555 13.744  50.021 1.00 6.81  ? 149 THR A CB  1 
ATOM   1275 O  OG1 . THR A 1 149 ? 12.572 14.700  50.311 1.00 7.19  ? 149 THR A OG1 1 
ATOM   1276 C  CG2 . THR A 1 149 ? 10.216 14.240  50.518 1.00 8.25  ? 149 THR A CG2 1 
ATOM   1277 N  N   . ASN A 1 150 ? 10.699 10.740  49.429 1.00 8.25  ? 150 ASN A N   1 
ATOM   1278 C  CA  . ASN A 1 150 ? 9.639  9.720   49.279 1.00 8.00  ? 150 ASN A CA  1 
ATOM   1279 C  C   . ASN A 1 150 ? 9.983  8.467   50.106 1.00 8.43  ? 150 ASN A C   1 
ATOM   1280 O  O   . ASN A 1 150 ? 9.107  7.924   50.744 1.00 7.62  ? 150 ASN A O   1 
ATOM   1281 C  CB  . ASN A 1 150 ? 9.381  9.406   47.802 1.00 7.19  ? 150 ASN A CB  1 
ATOM   1282 C  CG  . ASN A 1 150 ? 8.472  10.439  47.179 1.00 6.93  ? 150 ASN A CG  1 
ATOM   1283 O  OD1 . ASN A 1 150 ? 7.271  10.399  47.385 1.00 7.35  ? 150 ASN A OD1 1 
ATOM   1284 N  ND2 . ASN A 1 150 ? 9.045  11.379  46.452 1.00 7.60  ? 150 ASN A ND2 1 
ATOM   1285 N  N   . ILE A 1 151 ? 11.247 8.054   50.089 1.00 7.84  ? 151 ILE A N   1 
ATOM   1286 C  CA  . ILE A 1 151 ? 11.634 6.890   50.935 1.00 7.57  ? 151 ILE A CA  1 
ATOM   1287 C  C   . ILE A 1 151 ? 11.373 7.201   52.414 1.00 9.74  ? 151 ILE A C   1 
ATOM   1288 O  O   . ILE A 1 151 ? 10.849 6.359   53.111 1.00 9.33  ? 151 ILE A O   1 
ATOM   1289 C  CB  . ILE A 1 151 ? 13.114 6.551   50.647 1.00 6.74  ? 151 ILE A CB  1 
ATOM   1290 C  CG1 . ILE A 1 151 ? 13.329 6.025   49.228 1.00 8.39  ? 151 ILE A CG1 1 
ATOM   1291 C  CG2 . ILE A 1 151 ? 13.649 5.581   51.690 1.00 8.12  ? 151 ILE A CG2 1 
ATOM   1292 C  CD1 . ILE A 1 151 ? 14.771 6.088   48.775 1.00 10.30 ? 151 ILE A CD1 1 
ATOM   1293 N  N   . GLN A 1 152 ? 11.741 8.389   52.851 1.00 9.32  ? 152 GLN A N   1 
ATOM   1294 C  CA  . GLN A 1 152 ? 11.589 8.756   54.268 1.00 10.75 ? 152 GLN A CA  1 
ATOM   1295 C  C   . GLN A 1 152 ? 10.104 8.811   54.650 1.00 11.71 ? 152 GLN A C   1 
ATOM   1296 O  O   . GLN A 1 152 ? 9.756  8.373   55.735 1.00 14.25 ? 152 GLN A O   1 
ATOM   1297 C  CB  . GLN A 1 152 ? 12.252 10.115  54.490 1.00 12.64 ? 152 GLN A CB  1 
ATOM   1298 C  CG  . GLN A 1 152 ? 13.779 10.083  54.478 1.00 16.82 ? 152 GLN A CG  1 
ATOM   1299 C  CD  . GLN A 1 152 ? 14.438 11.410  54.172 1.00 17.06 ? 152 GLN A CD  1 
ATOM   1300 O  OE1 . GLN A 1 152 ? 13.843 12.316  53.596 1.00 19.95 ? 152 GLN A OE1 1 
ATOM   1301 N  NE2 . GLN A 1 152 ? 15.699 11.525  54.546 1.00 19.05 ? 152 GLN A NE2 1 
ATOM   1302 N  N   . ARG A 1 153 ? 9.300  9.376   53.769 1.00 11.15 ? 153 ARG A N   1 
ATOM   1303 C  CA  A ARG A 1 153 ? 7.838  9.433   54.079 0.49 11.75 ? 153 ARG A CA  1 
ATOM   1304 C  CA  B ARG A 1 153 ? 7.848  9.434   54.116 0.51 11.74 ? 153 ARG A CA  1 
ATOM   1305 C  C   . ARG A 1 153 ? 7.172  8.044   54.217 1.00 15.06 ? 153 ARG A C   1 
ATOM   1306 O  O   . ARG A 1 153 ? 6.178  7.727   54.986 1.00 15.16 ? 153 ARG A O   1 
ATOM   1307 C  CB  A ARG A 1 153 ? 7.119  10.221  52.969 0.49 14.99 ? 153 ARG A CB  1 
ATOM   1308 C  CB  B ARG A 1 153 ? 7.104  10.339  53.115 0.51 14.91 ? 153 ARG A CB  1 
ATOM   1309 C  CG  A ARG A 1 153 ? 5.794  10.848  53.379 0.49 13.50 ? 153 ARG A CG  1 
ATOM   1310 C  CG  B ARG A 1 153 ? 6.759  9.710   51.775 0.51 14.49 ? 153 ARG A CG  1 
ATOM   1311 C  CD  A ARG A 1 153 ? 5.282  11.912  52.422 0.49 18.67 ? 153 ARG A CD  1 
ATOM   1312 C  CD  B ARG A 1 153 ? 5.752  10.551  51.002 0.51 11.34 ? 153 ARG A CD  1 
ATOM   1313 N  NE  A ARG A 1 153 ? 5.919  11.847  51.120 0.49 15.50 ? 153 ARG A NE  1 
ATOM   1314 N  NE  B ARG A 1 153 ? 5.778  11.977  51.306 0.51 13.54 ? 153 ARG A NE  1 
ATOM   1315 C  CZ  A ARG A 1 153 ? 6.376  12.888  50.439 0.49 12.15 ? 153 ARG A CZ  1 
ATOM   1316 C  CZ  B ARG A 1 153 ? 6.318  12.911  50.529 0.51 12.05 ? 153 ARG A CZ  1 
ATOM   1317 N  NH1 A ARG A 1 153 ? 6.263  14.111  50.930 0.49 13.47 ? 153 ARG A NH1 1 
ATOM   1318 N  NH1 B ARG A 1 153 ? 6.894  12.581  49.385 0.51 9.46  ? 153 ARG A NH1 1 
ATOM   1319 N  NH2 A ARG A 1 153 ? 6.949  12.697  49.264 0.49 8.55  ? 153 ARG A NH2 1 
ATOM   1320 N  NH2 B ARG A 1 153 ? 6.283  14.177  50.905 0.51 13.33 ? 153 ARG A NH2 1 
ATOM   1321 N  N   . LEU A 1 154 ? 7.833  7.064   53.614 1.00 12.25 ? 154 LEU A N   1 
ATOM   1322 C  CA  . LEU A 1 154 ? 7.267  5.685   53.545 1.00 12.82 ? 154 LEU A CA  1 
ATOM   1323 C  C   . LEU A 1 154 ? 7.767  4.815   54.715 1.00 18.66 ? 154 LEU A C   1 
ATOM   1324 O  O   . LEU A 1 154 ? 7.260  3.711   54.870 1.00 20.48 ? 154 LEU A O   1 
ATOM   1325 C  CB  . LEU A 1 154 ? 7.631  5.046   52.201 1.00 12.90 ? 154 LEU A CB  1 
ATOM   1326 C  CG  . LEU A 1 154 ? 6.762  5.439   51.013 1.00 9.07  ? 154 LEU A CG  1 
ATOM   1327 C  CD1 . LEU A 1 154 ? 7.328  4.871   49.729 1.00 11.35 ? 154 LEU A CD1 1 
ATOM   1328 C  CD2 . LEU A 1 154 ? 5.331  4.953   51.222 1.00 15.83 ? 154 LEU A CD2 1 
ATOM   1329 N  N   . VAL A 1 155 ? 8.731  5.282   55.477 1.00 17.58 ? 155 VAL A N   1 
ATOM   1330 C  CA  . VAL A 1 155 ? 9.274  4.455   56.587 1.00 19.52 ? 155 VAL A CA  1 
ATOM   1331 C  C   . VAL A 1 155 ? 8.211  4.286   57.663 1.00 34.81 ? 155 VAL A C   1 
ATOM   1332 O  O   . VAL A 1 155 ? 7.855  3.147   57.999 1.00 27.59 ? 155 VAL A O   1 
ATOM   1333 C  CB  . VAL A 1 155 ? 10.467 5.158   57.228 1.00 24.13 ? 155 VAL A CB  1 
ATOM   1334 C  CG1 . VAL A 1 155 ? 10.892 4.416   58.485 1.00 25.92 ? 155 VAL A CG1 1 
ATOM   1335 C  CG2 . VAL A 1 155 ? 11.636 5.251   56.254 1.00 22.96 ? 155 VAL A CG2 1 
ATOM   1336 N  N   . GLY A 1 156 ? 7.705  5.429   58.113 1.00 29.10 ? 156 GLY A N   1 
ATOM   1337 C  CA  . GLY A 1 156 ? 6.745  5.408   59.213 1.00 45.15 ? 156 GLY A CA  1 
ATOM   1338 C  C   . GLY A 1 156 ? 7.075  4.344   60.246 1.00 41.38 ? 156 GLY A C   1 
ATOM   1339 O  O   . GLY A 1 156 ? 8.171  4.400   60.798 1.00 47.64 ? 156 GLY A O   1 
ATOM   1340 N  N   . SER A 1 157 ? 6.098  3.436   60.458 1.00 49.83 ? 157 SER A N   1 
ATOM   1341 C  CA  . SER A 1 157 ? 6.201  2.310   61.423 1.00 60.69 ? 157 SER A CA  1 
ATOM   1342 C  C   . SER A 1 157 ? 6.119  0.954   60.699 1.00 53.10 ? 157 SER A C   1 
ATOM   1343 O  O   . SER A 1 157 ? 6.042  -0.064  61.393 1.00 52.49 ? 157 SER A O   1 
ATOM   1344 C  CB  . SER A 1 157 ? 5.079  2.414   62.414 1.00 58.60 ? 157 SER A CB  1 
ATOM   1345 O  OG  . SER A 1 157 ? 3.829  2.242   61.759 1.00 51.81 ? 157 SER A OG  1 
ATOM   1346 N  N   . GLN A 1 158 ? 6.176  0.959   59.364 1.00 36.10 ? 158 GLN A N   1 
ATOM   1347 C  CA  . GLN A 1 158 ? 6.145  -0.270  58.541 1.00 37.90 ? 158 GLN A CA  1 
ATOM   1348 C  C   . GLN A 1 158 ? 7.242  -0.111  57.484 1.00 19.54 ? 158 GLN A C   1 
ATOM   1349 O  O   . GLN A 1 158 ? 6.895  0.139   56.320 1.00 20.73 ? 158 GLN A O   1 
ATOM   1350 C  CB  . GLN A 1 158 ? 4.774  -0.405  57.891 1.00 32.72 ? 158 GLN A CB  1 
ATOM   1351 C  CG  . GLN A 1 158 ? 3.620  -0.323  58.882 1.00 42.69 ? 158 GLN A CG  1 
ATOM   1352 C  CD  . GLN A 1 158 ? 2.315  -0.800  58.292 1.00 40.18 ? 158 GLN A CD  1 
ATOM   1353 N  N   . ALA A 1 159 ? 8.496  -0.287  57.877 1.00 21.93 ? 159 ALA A N   1 
ATOM   1354 C  CA  . ALA A 1 159 ? 9.622  -0.004  56.950 1.00 16.34 ? 159 ALA A CA  1 
ATOM   1355 C  C   . ALA A 1 159 ? 9.651  -0.953  55.741 1.00 13.46 ? 159 ALA A C   1 
ATOM   1356 O  O   . ALA A 1 159 ? 9.939  -0.480  54.664 1.00 12.70 ? 159 ALA A O   1 
ATOM   1357 C  CB  . ALA A 1 159 ? 10.909 -0.059  57.716 1.00 21.60 ? 159 ALA A CB  1 
ATOM   1358 N  N   . GLY A 1 160 ? 9.381  -2.235  55.965 1.00 14.00 ? 160 GLY A N   1 
ATOM   1359 C  CA  . GLY A 1 160 ? 9.476  -3.178  54.836 1.00 10.80 ? 160 GLY A CA  1 
ATOM   1360 C  C   . GLY A 1 160 ? 8.428  -2.868  53.770 1.00 9.08  ? 160 GLY A C   1 
ATOM   1361 O  O   . GLY A 1 160 ? 8.734  -2.897  52.611 1.00 10.32 ? 160 GLY A O   1 
ATOM   1362 N  N   . LEU A 1 161 ? 7.216  -2.625  54.234 1.00 10.23 ? 161 LEU A N   1 
ATOM   1363 C  CA  . LEU A 1 161 ? 6.109  -2.278  53.308 1.00 11.37 ? 161 LEU A CA  1 
ATOM   1364 C  C   . LEU A 1 161 ? 6.490  -1.031  52.491 1.00 9.52  ? 161 LEU A C   1 
ATOM   1365 O  O   . LEU A 1 161 ? 6.279  -1.012  51.313 1.00 9.72  ? 161 LEU A O   1 
ATOM   1366 C  CB  . LEU A 1 161 ? 4.871  -2.022  54.172 1.00 13.70 ? 161 LEU A CB  1 
ATOM   1367 C  CG  . LEU A 1 161 ? 3.676  -1.370  53.486 1.00 11.41 ? 161 LEU A CG  1 
ATOM   1368 C  CD1 . LEU A 1 161 ? 3.119  -2.298  52.424 1.00 14.41 ? 161 LEU A CD1 1 
ATOM   1369 C  CD2 . LEU A 1 161 ? 2.603  -1.039  54.512 1.00 16.37 ? 161 LEU A CD2 1 
ATOM   1370 N  N   . GLY A 1 162 ? 7.016  -0.025  53.192 1.00 9.04  ? 162 GLY A N   1 
ATOM   1371 C  CA  . GLY A 1 162 ? 7.401  1.203   52.471 1.00 9.42  ? 162 GLY A CA  1 
ATOM   1372 C  C   . GLY A 1 162 ? 8.511  0.981   51.457 1.00 9.26  ? 162 GLY A C   1 
ATOM   1373 O  O   . GLY A 1 162 ? 8.484  1.578   50.425 1.00 10.82 ? 162 GLY A O   1 
ATOM   1374 N  N   . GLU A 1 163 ? 9.465  0.129   51.813 1.00 7.55  ? 163 GLU A N   1 
ATOM   1375 C  CA  . GLU A 1 163 ? 10.613 -0.103  50.901 1.00 7.94  ? 163 GLU A CA  1 
ATOM   1376 C  C   . GLU A 1 163 ? 10.126 -0.872  49.665 1.00 8.21  ? 163 GLU A C   1 
ATOM   1377 O  O   . GLU A 1 163 ? 10.540 -0.588  48.563 1.00 8.69  ? 163 GLU A O   1 
ATOM   1378 C  CB  . GLU A 1 163 ? 11.703 -0.844  51.684 1.00 11.80 ? 163 GLU A CB  1 
ATOM   1379 C  CG  . GLU A 1 163 ? 13.005 -0.977  50.931 1.00 11.24 ? 163 GLU A CG  1 
ATOM   1380 C  CD  . GLU A 1 163 ? 14.212 -1.417  51.743 1.00 11.71 ? 163 GLU A CD  1 
ATOM   1381 O  OE1 . GLU A 1 163 ? 14.031 -1.988  52.834 1.00 15.85 ? 163 GLU A OE1 1 
ATOM   1382 O  OE2 . GLU A 1 163 ? 15.317 -1.228  51.255 1.00 11.04 ? 163 GLU A OE2 1 
ATOM   1383 N  N   . TYR A 1 164 ? 9.244  -1.820  49.903 1.00 8.76  ? 164 TYR A N   1 
ATOM   1384 C  CA  . TYR A 1 164 ? 8.644  -2.518  48.745 1.00 7.34  ? 164 TYR A CA  1 
ATOM   1385 C  C   . TYR A 1 164 ? 7.854  -1.557  47.845 1.00 5.85  ? 164 TYR A C   1 
ATOM   1386 O  O   . TYR A 1 164 ? 8.001  -1.604  46.663 1.00 6.75  ? 164 TYR A O   1 
ATOM   1387 C  CB  . TYR A 1 164 ? 7.711  -3.624  49.265 1.00 7.32  ? 164 TYR A CB  1 
ATOM   1388 C  CG  . TYR A 1 164 ? 6.932  -4.376  48.211 1.00 6.96  ? 164 TYR A CG  1 
ATOM   1389 C  CD1 . TYR A 1 164 ? 7.540  -5.359  47.452 1.00 7.64  ? 164 TYR A CD1 1 
ATOM   1390 C  CD2 . TYR A 1 164 ? 5.588  -4.127  47.984 1.00 8.49  ? 164 TYR A CD2 1 
ATOM   1391 C  CE1 . TYR A 1 164 ? 6.842  -6.072  46.493 1.00 6.66  ? 164 TYR A CE1 1 
ATOM   1392 C  CE2 . TYR A 1 164 ? 4.874  -4.827  47.025 1.00 8.72  ? 164 TYR A CE2 1 
ATOM   1393 C  CZ  . TYR A 1 164 ? 5.504  -5.807  46.281 1.00 7.00  ? 164 TYR A CZ  1 
ATOM   1394 O  OH  . TYR A 1 164 ? 4.834  -6.510  45.327 1.00 7.78  ? 164 TYR A OH  1 
ATOM   1395 N  N   . LEU A 1 165 ? 6.983  -0.759  48.463 1.00 7.48  ? 165 LEU A N   1 
ATOM   1396 C  CA  . LEU A 1 165 ? 6.121  0.136   47.646 1.00 6.91  ? 165 LEU A CA  1 
ATOM   1397 C  C   . LEU A 1 165 ? 6.927  1.167   46.829 1.00 5.34  ? 165 LEU A C   1 
ATOM   1398 O  O   . LEU A 1 165 ? 6.585  1.408   45.704 1.00 7.22  ? 165 LEU A O   1 
ATOM   1399 C  CB  . LEU A 1 165 ? 5.120  0.829   48.571 1.00 8.07  ? 165 LEU A CB  1 
ATOM   1400 C  CG  . LEU A 1 165 ? 3.998  -0.073  49.079 1.00 8.52  ? 165 LEU A CG  1 
ATOM   1401 C  CD1 . LEU A 1 165 ? 3.188  0.622   50.159 1.00 11.36 ? 165 LEU A CD1 1 
ATOM   1402 C  CD2 . LEU A 1 165 ? 3.107  -0.508  47.932 1.00 11.15 ? 165 LEU A CD2 1 
ATOM   1403 N  N   . PHE A 1 166 ? 7.983  1.684   47.451 1.00 8.25  ? 166 PHE A N   1 
ATOM   1404 C  CA  . PHE A 1 166 ? 8.838  2.650   46.717 1.00 7.39  ? 166 PHE A CA  1 
ATOM   1405 C  C   . PHE A 1 166 ? 9.447  1.974   45.479 1.00 7.33  ? 166 PHE A C   1 
ATOM   1406 O  O   . PHE A 1 166 ? 9.466  2.534   44.414 1.00 6.88  ? 166 PHE A O   1 
ATOM   1407 C  CB  . PHE A 1 166 ? 9.914  3.238   47.638 1.00 8.31  ? 166 PHE A CB  1 
ATOM   1408 C  CG  . PHE A 1 166 ? 10.764 4.263   46.934 1.00 7.36  ? 166 PHE A CG  1 
ATOM   1409 C  CD1 . PHE A 1 166 ? 10.278 5.537   46.699 1.00 7.56  ? 166 PHE A CD1 1 
ATOM   1410 C  CD2 . PHE A 1 166 ? 12.027 3.945   46.469 1.00 10.06 ? 166 PHE A CD2 1 
ATOM   1411 C  CE1 . PHE A 1 166 ? 11.044 6.479   46.034 1.00 10.34 ? 166 PHE A CE1 1 
ATOM   1412 C  CE2 . PHE A 1 166 ? 12.790 4.889   45.802 1.00 9.85  ? 166 PHE A CE2 1 
ATOM   1413 C  CZ  . PHE A 1 166 ? 12.295 6.150   45.579 1.00 10.81 ? 166 PHE A CZ  1 
ATOM   1414 N  N   . GLU A 1 167 ? 9.986  0.784   45.689 1.00 5.91  ? 167 GLU A N   1 
ATOM   1415 C  CA  . GLU A 1 167 ? 10.624 0.057   44.568 1.00 6.41  ? 167 GLU A CA  1 
ATOM   1416 C  C   . GLU A 1 167 ? 9.603  -0.270  43.471 1.00 6.85  ? 167 GLU A C   1 
ATOM   1417 O  O   . GLU A 1 167 ? 9.918  -0.126  42.319 1.00 8.39  ? 167 GLU A O   1 
ATOM   1418 C  CB  . GLU A 1 167 ? 11.303 -1.201  45.125 1.00 7.44  ? 167 GLU A CB  1 
ATOM   1419 C  CG  . GLU A 1 167 ? 12.018 -2.025  44.065 1.00 7.55  ? 167 GLU A CG  1 
ATOM   1420 C  CD  . GLU A 1 167 ? 11.145 -3.082  43.409 1.00 6.60  ? 167 GLU A CD  1 
ATOM   1421 O  OE1 . GLU A 1 167 ? 10.173 -3.508  44.042 1.00 7.87  ? 167 GLU A OE1 1 
ATOM   1422 O  OE2 . GLU A 1 167 ? 11.434 -3.451  42.275 1.00 8.15  ? 167 GLU A OE2 1 
ATOM   1423 N  N   . ARG A 1 168 ? 8.405  -0.647  43.886 1.00 6.93  ? 168 ARG A N   1 
ATOM   1424 C  CA  . ARG A 1 168 ? 7.383  -1.034  42.893 1.00 6.54  ? 168 ARG A CA  1 
ATOM   1425 C  C   . ARG A 1 168 ? 6.739  0.162   42.188 1.00 7.22  ? 168 ARG A C   1 
ATOM   1426 O  O   . ARG A 1 168 ? 6.468  0.047   41.015 1.00 8.80  ? 168 ARG A O   1 
ATOM   1427 C  CB  . ARG A 1 168 ? 6.217  -1.730  43.610 1.00 7.72  ? 168 ARG A CB  1 
ATOM   1428 C  CG  . ARG A 1 168 ? 6.524  -3.130  44.126 1.00 7.01  ? 168 ARG A CG  1 
ATOM   1429 C  CD  . ARG A 1 168 ? 6.589  -4.155  43.014 1.00 8.60  ? 168 ARG A CD  1 
ATOM   1430 N  NE  . ARG A 1 168 ? 7.945  -4.332  42.514 1.00 7.68  ? 168 ARG A NE  1 
ATOM   1431 C  CZ  . ARG A 1 168 ? 8.259  -5.133  41.516 1.00 6.75  ? 168 ARG A CZ  1 
ATOM   1432 N  NH1 . ARG A 1 168 ? 7.317  -5.834  40.910 1.00 10.00 ? 168 ARG A NH1 1 
ATOM   1433 N  NH2 . ARG A 1 168 ? 9.516  -5.238  41.126 1.00 10.18 ? 168 ARG A NH2 1 
ATOM   1434 N  N   . LEU A 1 169 ? 6.482  1.244   42.928 1.00 7.13  ? 169 LEU A N   1 
ATOM   1435 C  CA  . LEU A 1 169 ? 5.649  2.347   42.356 1.00 7.23  ? 169 LEU A CA  1 
ATOM   1436 C  C   . LEU A 1 169 ? 6.468  3.570   41.911 1.00 8.89  ? 169 LEU A C   1 
ATOM   1437 O  O   . LEU A 1 169 ? 5.945  4.365   41.169 1.00 9.00  ? 169 LEU A O   1 
ATOM   1438 C  CB  . LEU A 1 169 ? 4.571  2.754   43.377 1.00 7.52  ? 169 LEU A CB  1 
ATOM   1439 C  CG  . LEU A 1 169 ? 3.639  1.622   43.804 1.00 8.61  ? 169 LEU A CG  1 
ATOM   1440 C  CD1 . LEU A 1 169 ? 2.583  2.127   44.769 1.00 11.50 ? 169 LEU A CD1 1 
ATOM   1441 C  CD2 . LEU A 1 169 ? 2.987  0.986   42.588 1.00 10.87 ? 169 LEU A CD2 1 
ATOM   1442 N  N   . THR A 1 170 ? 7.698  3.695   42.386 1.00 8.49  ? 170 THR A N   1 
ATOM   1443 C  CA  . THR A 1 170 ? 8.531  4.803   41.861 1.00 9.19  ? 170 THR A CA  1 
ATOM   1444 C  C   . THR A 1 170 ? 9.655  4.320   40.936 1.00 10.16 ? 170 THR A C   1 
ATOM   1445 O  O   . THR A 1 170 ? 9.805  4.879   39.882 1.00 12.05 ? 170 THR A O   1 
ATOM   1446 C  CB  . THR A 1 170 ? 9.133  5.583   43.030 1.00 7.03  ? 170 THR A CB  1 
ATOM   1447 O  OG1 . THR A 1 170 ? 8.082  6.228   43.743 1.00 9.14  ? 170 THR A OG1 1 
ATOM   1448 C  CG2 . THR A 1 170 ? 10.133 6.625   42.575 1.00 9.65  ? 170 THR A CG2 1 
ATOM   1449 N  N   . LEU A 1 171 ? 10.343 3.267   41.368 1.00 9.55  ? 171 LEU A N   1 
ATOM   1450 C  CA  . LEU A 1 171 ? 11.506 2.834   40.567 1.00 11.86 ? 171 LEU A CA  1 
ATOM   1451 C  C   . LEU A 1 171 ? 11.043 1.890   39.462 1.00 19.85 ? 171 LEU A C   1 
ATOM   1452 O  O   . LEU A 1 171 ? 10.094 1.179   39.604 1.00 24.22 ? 171 LEU A O   1 
ATOM   1453 C  CB  . LEU A 1 171 ? 12.624 2.286   41.452 1.00 9.77  ? 171 LEU A CB  1 
ATOM   1454 C  CG  . LEU A 1 171 ? 13.126 3.230   42.539 1.00 11.82 ? 171 LEU A CG  1 
ATOM   1455 C  CD1 . LEU A 1 171 ? 14.151 2.519   43.408 1.00 14.41 ? 171 LEU A CD1 1 
ATOM   1456 C  CD2 . LEU A 1 171 ? 13.738 4.477   41.930 1.00 11.52 ? 171 LEU A CD2 1 
ATOM   1457 N  N   . LYS A 1 172 ? 11.772 2.027   38.344 1.00 20.46 ? 172 LYS A N   1 
ATOM   1458 C  CA  . LYS A 1 172 ? 11.362 1.322   37.103 1.00 40.95 ? 172 LYS A CA  1 
ATOM   1459 C  C   . LYS A 1 172 ? 11.789 -0.124  37.153 1.00 43.91 ? 172 LYS A C   1 
ATOM   1460 O  O   . LYS A 1 172 ? 12.953 -0.385  37.532 1.00 38.05 ? 172 LYS A O   1 
ATOM   1461 C  CB  . LYS A 1 172 ? 12.049 1.973   35.902 1.00 30.67 ? 172 LYS A CB  1 
ATOM   1462 N  N   . HIS A 1 173 ? 10.885 -1.020  36.772 1.00 36.54 ? 173 HIS A N   1 
ATOM   1463 C  CA  . HIS A 1 173 ? 11.223 -2.467  36.899 1.00 36.28 ? 173 HIS A CA  1 
ATOM   1464 C  C   . HIS A 1 173 ? 10.497 -3.311  35.852 1.00 37.74 ? 173 HIS A C   1 
ATOM   1465 O  O   . HIS A 1 173 ? 9.631  -2.754  35.173 1.00 44.39 ? 173 HIS A O   1 
ATOM   1466 C  CB  . HIS A 1 173 ? 10.921 -3.037  38.298 1.00 25.90 ? 173 HIS A CB  1 
ATOM   1467 C  CG  . HIS A 1 173 ? 9.551  -2.703  38.759 1.00 28.18 ? 173 HIS A CG  1 
ATOM   1468 N  ND1 . HIS A 1 173 ? 8.448  -3.386  38.314 1.00 33.93 ? 173 HIS A ND1 1 
ATOM   1469 C  CD2 . HIS A 1 173 ? 9.108  -1.757  39.611 1.00 20.60 ? 173 HIS A CD2 1 
ATOM   1470 C  CE1 . HIS A 1 173 ? 7.370  -2.879  38.869 1.00 35.22 ? 173 HIS A CE1 1 
ATOM   1471 N  NE2 . HIS A 1 173 ? 7.748  -1.886  39.673 1.00 33.58 ? 173 HIS A NE2 1 
ATOM   1472 N  N   . ASP A 1 174 ? 10.835 -4.602  35.776 1.00 39.10 ? 174 ASP A N   1 
ATOM   1473 C  CA  . ASP A 1 174 ? 10.222 -5.446  34.718 1.00 40.77 ? 174 ASP A CA  1 
HETATM 1474 CD CD  . CD  B 2 .   ? 18.786 -7.159  39.473 0.11 13.72 ? 201 CD  A CD  1 
HETATM 1475 CD CD  . CD  C 2 .   ? 48.916 -0.009  41.543 0.43 7.04  ? 202 CD  A CD  1 
HETATM 1476 CD CD  . CD  D 2 .   ? 27.039 27.033  27.039 0.14 31.99 ? 203 CD  A CD  1 
HETATM 1477 CD CD  . CD  E 2 .   ? 29.518 29.511  29.519 0.11 19.54 ? 204 CD  A CD  1 
HETATM 1478 CD CD  . CD  F 2 .   ? 29.405 29.949  31.115 0.23 18.38 ? 205 CD  A CD  1 
HETATM 1479 CD CD  . CD  G 2 .   ? 30.134 18.525  23.282 0.23 29.78 ? 206 CD  A CD  1 
HETATM 1480 CD CD  . CD  H 2 .   ? 29.968 5.535   25.456 0.26 16.78 ? 207 CD  A CD  1 
HETATM 1481 S  S   . SO4 I 3 .   ? 49.797 28.195  24.534 1.00 23.60 ? 208 SO4 A S   1 
HETATM 1482 O  O1  . SO4 I 3 .   ? 51.033 28.387  25.231 1.00 30.37 ? 208 SO4 A O1  1 
HETATM 1483 O  O2  . SO4 I 3 .   ? 49.963 28.570  23.163 1.00 30.88 ? 208 SO4 A O2  1 
HETATM 1484 O  O3  . SO4 I 3 .   ? 49.416 26.823  24.611 1.00 29.72 ? 208 SO4 A O3  1 
HETATM 1485 O  O4  . SO4 I 3 .   ? 48.789 28.999  25.134 1.00 30.95 ? 208 SO4 A O4  1 
HETATM 1486 S  S   . SO4 J 3 .   ? 30.825 -2.978  55.036 0.48 21.14 ? 209 SO4 A S   1 
HETATM 1487 O  O1  . SO4 J 3 .   ? 31.976 -2.905  54.178 0.48 13.76 ? 209 SO4 A O1  1 
HETATM 1488 O  O2  . SO4 J 3 .   ? 29.668 -3.171  54.238 0.48 7.00  ? 209 SO4 A O2  1 
HETATM 1489 O  O3  . SO4 J 3 .   ? 30.976 -4.079  55.940 0.48 23.47 ? 209 SO4 A O3  1 
HETATM 1490 O  O4  . SO4 J 3 .   ? 30.709 -1.762  55.780 0.48 19.70 ? 209 SO4 A O4  1 
HETATM 1491 CL CL  . CL  K 4 .   ? 50.522 1.731   40.972 1.00 17.67 ? 210 CL  A CL  1 
HETATM 1492 C  C1  . EDO L 5 .   ? 18.142 -4.673  52.403 1.00 15.91 ? 211 EDO A C1  1 
HETATM 1493 O  O1  . EDO L 5 .   ? 17.486 -5.811  52.897 1.00 26.25 ? 211 EDO A O1  1 
HETATM 1494 C  C2  . EDO L 5 .   ? 17.184 -3.611  52.048 1.00 15.28 ? 211 EDO A C2  1 
HETATM 1495 O  O2  . EDO L 5 .   ? 16.483 -3.195  53.199 1.00 16.88 ? 211 EDO A O2  1 
HETATM 1496 C  C1  . EDO M 5 .   ? 21.041 -7.788  37.801 1.00 21.21 ? 212 EDO A C1  1 
HETATM 1497 O  O1  . EDO M 5 .   ? 20.189 -6.875  37.145 1.00 22.88 ? 212 EDO A O1  1 
HETATM 1498 C  C2  . EDO M 5 .   ? 20.698 -9.188  37.469 1.00 23.30 ? 212 EDO A C2  1 
HETATM 1499 O  O2  . EDO M 5 .   ? 20.688 -9.420  36.086 1.00 23.32 ? 212 EDO A O2  1 
HETATM 1500 C  C1  . EDO N 5 .   ? 19.562 7.712   37.369 1.00 33.53 ? 213 EDO A C1  1 
HETATM 1501 O  O1  . EDO N 5 .   ? 19.988 8.496   36.275 1.00 43.54 ? 213 EDO A O1  1 
HETATM 1502 C  C2  . EDO N 5 .   ? 19.461 6.262   37.061 1.00 23.08 ? 213 EDO A C2  1 
HETATM 1503 O  O2  . EDO N 5 .   ? 18.438 6.036   36.135 1.00 33.79 ? 213 EDO A O2  1 
HETATM 1504 O  O   . HOH O 6 .   ? 36.274 18.403  21.325 1.00 22.56 ? 301 HOH A O   1 
HETATM 1505 O  O   . HOH O 6 .   ? 35.696 18.229  24.041 1.00 24.33 ? 302 HOH A O   1 
HETATM 1506 O  O   . HOH O 6 .   ? 25.435 20.028  31.940 1.00 18.43 ? 303 HOH A O   1 
HETATM 1507 O  O   . HOH O 6 .   ? 34.990 14.072  21.843 1.00 27.09 ? 304 HOH A O   1 
HETATM 1508 O  O   . HOH O 6 .   ? 27.066 14.392  29.868 1.00 32.93 ? 305 HOH A O   1 
HETATM 1509 O  O   . HOH O 6 .   ? 15.110 -6.070  53.632 1.00 28.94 ? 306 HOH A O   1 
HETATM 1510 O  O   . HOH O 6 .   ? 46.690 30.152  24.318 1.00 15.95 ? 307 HOH A O   1 
HETATM 1511 O  O   . HOH O 6 .   ? 16.534 -7.333  35.964 1.00 29.37 ? 308 HOH A O   1 
HETATM 1512 O  O   . HOH O 6 .   ? 29.757 -6.131  55.074 1.00 34.01 ? 309 HOH A O   1 
HETATM 1513 O  O   . HOH O 6 .   ? 19.006 5.133   56.772 1.00 26.31 ? 310 HOH A O   1 
HETATM 1514 O  O   . HOH O 6 .   ? 46.008 20.058  39.106 1.00 15.52 ? 311 HOH A O   1 
HETATM 1515 O  O   . HOH O 6 .   ? 19.181 -8.470  34.248 1.00 40.82 ? 312 HOH A O   1 
HETATM 1516 O  O   . HOH O 6 .   ? 12.017 14.002  54.254 1.00 31.84 ? 313 HOH A O   1 
HETATM 1517 O  O   . HOH O 6 .   ? 29.621 4.827   52.469 1.00 29.16 ? 314 HOH A O   1 
HETATM 1518 O  O   . HOH O 6 .   ? 27.918 26.165  24.904 1.00 25.85 ? 315 HOH A O   1 
HETATM 1519 O  O   . HOH O 6 .   ? 24.286 -9.812  55.016 1.00 30.30 ? 316 HOH A O   1 
HETATM 1520 O  O   . HOH O 6 .   ? 40.216 9.302   43.235 1.00 20.25 ? 317 HOH A O   1 
HETATM 1521 O  O   . HOH O 6 .   ? 8.242  8.789   44.191 1.00 15.53 ? 318 HOH A O   1 
HETATM 1522 O  O   . HOH O 6 .   ? 21.212 13.989  35.084 1.00 23.85 ? 319 HOH A O   1 
HETATM 1523 O  O   . HOH O 6 .   ? 50.809 22.907  20.039 1.00 21.11 ? 320 HOH A O   1 
HETATM 1524 O  O   . HOH O 6 .   ? 31.674 -2.859  47.255 1.00 7.82  ? 321 HOH A O   1 
HETATM 1525 O  O   . HOH O 6 .   ? 5.165  2.224   55.423 1.00 24.15 ? 322 HOH A O   1 
HETATM 1526 O  O   . HOH O 6 .   ? 11.277 13.062  40.883 1.00 26.05 ? 323 HOH A O   1 
HETATM 1527 O  O   . HOH O 6 .   ? 30.236 21.192  48.635 1.00 14.55 ? 324 HOH A O   1 
HETATM 1528 O  O   . HOH O 6 .   ? 45.799 14.116  21.650 1.00 7.80  ? 325 HOH A O   1 
HETATM 1529 O  O   . HOH O 6 .   ? 33.848 23.059  25.252 1.00 15.86 ? 326 HOH A O   1 
HETATM 1530 O  O   . HOH O 6 .   ? 36.133 3.995   48.208 1.00 23.50 ? 327 HOH A O   1 
HETATM 1531 O  O   . HOH O 6 .   ? 44.155 25.346  31.093 1.00 8.68  ? 328 HOH A O   1 
HETATM 1532 O  O   . HOH O 6 .   ? 38.542 30.686  39.694 1.00 18.31 ? 329 HOH A O   1 
HETATM 1533 O  O   . HOH O 6 .   ? 42.253 18.301  41.138 1.00 30.34 ? 330 HOH A O   1 
HETATM 1534 O  O   . HOH O 6 .   ? 20.303 0.108   58.108 1.00 25.38 ? 331 HOH A O   1 
HETATM 1535 O  O   . HOH O 6 .   ? 46.386 13.790  38.115 1.00 24.48 ? 332 HOH A O   1 
HETATM 1536 O  O   . HOH O 6 .   ? 51.138 15.694  28.469 1.00 17.50 ? 333 HOH A O   1 
HETATM 1537 O  O   . HOH O 6 .   ? 44.444 22.276  23.470 1.00 6.69  ? 334 HOH A O   1 
HETATM 1538 O  O   . HOH O 6 .   ? 32.414 -5.366  47.943 1.00 6.80  ? 335 HOH A O   1 
HETATM 1539 O  O   . HOH O 6 .   ? 10.365 -6.058  44.838 1.00 7.65  ? 336 HOH A O   1 
HETATM 1540 O  O   . HOH O 6 .   ? 35.559 3.521   25.821 1.00 15.17 ? 337 HOH A O   1 
HETATM 1541 O  O   . HOH O 6 .   ? 19.456 -16.180 51.270 1.00 26.57 ? 338 HOH A O   1 
HETATM 1542 O  O   . HOH O 6 .   ? 35.010 2.792   44.329 1.00 12.17 ? 339 HOH A O   1 
HETATM 1543 O  O   . HOH O 6 .   ? 45.142 31.293  29.452 1.00 22.67 ? 340 HOH A O   1 
HETATM 1544 O  O   . HOH O 6 .   ? 46.773 1.991   45.261 1.00 16.70 ? 341 HOH A O   1 
HETATM 1545 O  O   . HOH O 6 .   ? 51.865 17.708  31.531 1.00 32.50 ? 342 HOH A O   1 
HETATM 1546 O  O   . HOH O 6 .   ? 35.800 -4.762  53.003 1.00 19.53 ? 343 HOH A O   1 
HETATM 1547 O  O   . HOH O 6 .   ? 26.770 21.490  39.043 1.00 8.23  ? 344 HOH A O   1 
HETATM 1548 O  O   . HOH O 6 .   ? 33.939 10.671  45.588 1.00 25.60 ? 345 HOH A O   1 
HETATM 1549 O  O   . HOH O 6 .   ? 36.306 25.649  44.201 1.00 25.48 ? 346 HOH A O   1 
HETATM 1550 O  O   . HOH O 6 .   ? 21.456 -12.517 39.510 1.00 9.76  ? 347 HOH A O   1 
HETATM 1551 O  O   . HOH O 6 .   ? 34.978 2.596   53.822 1.00 20.89 ? 348 HOH A O   1 
HETATM 1552 O  O   . HOH O 6 .   ? 42.618 20.517  19.577 1.00 7.94  ? 349 HOH A O   1 
HETATM 1553 O  O   . HOH O 6 .   ? 32.380 15.778  24.679 1.00 28.98 ? 350 HOH A O   1 
HETATM 1554 O  O   . HOH O 6 .   ? 42.643 8.834   35.495 1.00 10.14 ? 351 HOH A O   1 
HETATM 1555 O  O   . HOH O 6 .   ? 30.177 5.349   49.148 1.00 24.13 ? 352 HOH A O   1 
HETATM 1556 O  O   . HOH O 6 .   ? 44.479 5.962   42.748 1.00 18.70 ? 353 HOH A O   1 
HETATM 1557 O  O   . HOH O 6 .   ? 46.163 10.300  26.182 1.00 12.89 ? 354 HOH A O   1 
HETATM 1558 O  O   . HOH O 6 .   ? 16.591 -10.682 53.894 1.00 30.15 ? 355 HOH A O   1 
HETATM 1559 O  O   . HOH O 6 .   ? 40.368 27.199  26.174 1.00 7.49  ? 356 HOH A O   1 
HETATM 1560 O  O   . HOH O 6 .   ? 28.980 7.766   49.593 1.00 12.40 ? 357 HOH A O   1 
HETATM 1561 O  O   . HOH O 6 .   ? 14.801 1.512   38.310 1.00 19.38 ? 358 HOH A O   1 
HETATM 1562 O  O   . HOH O 6 .   ? 35.060 16.446  45.925 1.00 18.37 ? 359 HOH A O   1 
HETATM 1563 O  O   . HOH O 6 .   ? 33.860 28.642  38.524 1.00 12.35 ? 360 HOH A O   1 
HETATM 1564 O  O   . HOH O 6 .   ? 25.613 23.644  33.425 1.00 24.62 ? 361 HOH A O   1 
HETATM 1565 O  O   . HOH O 6 .   ? 24.217 5.818   54.044 1.00 14.19 ? 362 HOH A O   1 
HETATM 1566 O  O   . HOH O 6 .   ? 29.769 14.638  49.713 1.00 15.67 ? 363 HOH A O   1 
HETATM 1567 O  O   . HOH O 6 .   ? 47.700 6.129   29.813 1.00 8.19  ? 364 HOH A O   1 
HETATM 1568 O  O   . HOH O 6 .   ? 48.922 24.688  26.277 1.00 12.69 ? 365 HOH A O   1 
HETATM 1569 O  O   . HOH O 6 .   ? 12.991 15.578  52.887 1.00 22.68 ? 366 HOH A O   1 
HETATM 1570 O  O   . HOH O 6 .   ? 33.114 26.703  40.239 1.00 8.39  ? 367 HOH A O   1 
HETATM 1571 O  O   . HOH O 6 .   ? 11.150 -7.720  40.608 1.00 15.92 ? 368 HOH A O   1 
HETATM 1572 O  O   . HOH O 6 .   ? 17.164 2.733   56.937 1.00 16.88 ? 369 HOH A O   1 
HETATM 1573 O  O   . HOH O 6 .   ? 15.777 16.078  38.366 1.00 14.25 ? 370 HOH A O   1 
HETATM 1574 O  O   . HOH O 6 .   ? 49.827 5.654   35.751 1.00 12.92 ? 371 HOH A O   1 
HETATM 1575 O  O   . HOH O 6 .   ? 20.624 -12.114 36.696 1.00 24.82 ? 372 HOH A O   1 
HETATM 1576 O  O   . HOH O 6 .   ? 27.737 -5.690  45.738 1.00 10.32 ? 373 HOH A O   1 
HETATM 1577 O  O   . HOH O 6 .   ? 36.964 -6.624  42.326 1.00 9.37  ? 374 HOH A O   1 
HETATM 1578 O  O   . HOH O 6 .   ? 49.265 13.651  31.728 1.00 13.13 ? 375 HOH A O   1 
HETATM 1579 O  O   . HOH O 6 .   ? 38.511 18.849  40.660 1.00 11.66 ? 376 HOH A O   1 
HETATM 1580 O  O   . HOH O 6 .   ? 22.754 5.628   56.316 1.00 23.25 ? 377 HOH A O   1 
HETATM 1581 O  O   . HOH O 6 .   ? 42.860 24.880  22.349 1.00 6.69  ? 378 HOH A O   1 
HETATM 1582 O  O   . HOH O 6 .   ? 39.891 25.130  41.996 1.00 19.84 ? 379 HOH A O   1 
HETATM 1583 O  O   . HOH O 6 .   ? 13.669 15.183  39.839 1.00 15.95 ? 380 HOH A O   1 
HETATM 1584 O  O   . HOH O 6 .   ? 42.534 10.462  27.195 1.00 20.86 ? 381 HOH A O   1 
HETATM 1585 O  O   . HOH O 6 .   ? 26.927 -7.600  49.606 1.00 10.00 ? 382 HOH A O   1 
HETATM 1586 O  O   . HOH O 6 .   ? 34.123 -2.142  50.757 1.00 11.76 ? 383 HOH A O   1 
HETATM 1587 O  O   . HOH O 6 .   ? 17.174 -4.010  55.808 1.00 24.23 ? 384 HOH A O   1 
HETATM 1588 O  O   . HOH O 6 .   ? 12.883 0.899   48.061 1.00 9.89  ? 385 HOH A O   1 
HETATM 1589 O  O   . HOH O 6 .   ? 38.562 -3.566  53.675 1.00 19.07 ? 386 HOH A O   1 
HETATM 1590 O  O   . HOH O 6 .   ? 34.091 8.782   43.476 1.00 13.64 ? 387 HOH A O   1 
HETATM 1591 O  O   . HOH O 6 .   ? 41.059 11.443  41.949 1.00 29.80 ? 388 HOH A O   1 
HETATM 1592 O  O   . HOH O 6 .   ? 47.946 4.171   41.177 1.00 12.26 ? 389 HOH A O   1 
HETATM 1593 O  O   . HOH O 6 .   ? 38.255 33.138  32.939 1.00 27.19 ? 390 HOH A O   1 
HETATM 1594 O  O   . HOH O 6 .   ? 38.825 21.518  27.670 1.00 7.44  ? 391 HOH A O   1 
HETATM 1595 O  O   . HOH O 6 .   ? 41.046 5.472   43.499 1.00 12.50 ? 392 HOH A O   1 
HETATM 1596 O  O   . HOH O 6 .   ? 32.184 4.190   47.558 1.00 10.60 ? 393 HOH A O   1 
HETATM 1597 O  O   . HOH O 6 .   ? 14.528 7.206   39.145 1.00 17.43 ? 394 HOH A O   1 
HETATM 1598 O  O   . HOH O 6 .   ? 20.460 -13.335 54.718 1.00 26.89 ? 395 HOH A O   1 
HETATM 1599 O  O   . HOH O 6 .   ? 26.047 -1.010  34.770 1.00 22.43 ? 396 HOH A O   1 
HETATM 1600 O  O   . HOH O 6 .   ? 11.566 8.840   57.878 1.00 30.79 ? 397 HOH A O   1 
HETATM 1601 O  O   . HOH O 6 .   ? 25.836 16.005  27.701 1.00 28.18 ? 398 HOH A O   1 
HETATM 1602 O  O   . HOH O 6 .   ? 7.377  1.965   39.108 1.00 23.75 ? 399 HOH A O   1 
HETATM 1603 O  O   . HOH O 6 .   ? 49.708 17.409  33.991 1.00 15.68 ? 400 HOH A O   1 
HETATM 1604 O  O   . HOH O 6 .   ? 3.440  4.006   39.843 1.00 27.39 ? 401 HOH A O   1 
HETATM 1605 O  O   . HOH O 6 .   ? 12.031 18.154  39.758 1.00 17.41 ? 402 HOH A O   1 
HETATM 1606 O  O   . HOH O 6 .   ? 42.841 32.495  27.255 1.00 13.84 ? 403 HOH A O   1 
HETATM 1607 O  O   . HOH O 6 .   ? 36.649 21.965  47.406 1.00 32.66 ? 404 HOH A O   1 
HETATM 1608 O  O   . HOH O 6 .   ? 47.983 29.956  27.730 1.00 36.67 ? 405 HOH A O   1 
HETATM 1609 O  O   . HOH O 6 .   ? 13.556 -0.545  55.287 1.00 31.28 ? 406 HOH A O   1 
HETATM 1610 O  O   . HOH O 6 .   ? 44.936 27.778  30.207 1.00 12.79 ? 407 HOH A O   1 
HETATM 1611 O  O   . HOH O 6 .   ? 39.944 16.682  39.829 1.00 12.33 ? 408 HOH A O   1 
HETATM 1612 O  O   . HOH O 6 .   ? 10.642 10.156  43.987 1.00 13.16 ? 409 HOH A O   1 
HETATM 1613 O  O   . HOH O 6 .   ? 21.070 2.947   59.051 1.00 37.68 ? 410 HOH A O   1 
HETATM 1614 O  O   . HOH O 6 .   ? 10.837 2.254   54.325 1.00 29.53 ? 411 HOH A O   1 
HETATM 1615 O  O   . HOH O 6 .   ? 12.301 -7.012  43.059 1.00 7.87  ? 412 HOH A O   1 
HETATM 1616 O  O   . HOH O 6 .   ? 46.684 10.121  37.067 1.00 29.42 ? 413 HOH A O   1 
HETATM 1617 O  O   . HOH O 6 .   ? 24.570 14.677  51.632 1.00 29.22 ? 414 HOH A O   1 
HETATM 1618 O  O   . HOH O 6 .   ? 9.899  12.834  53.983 1.00 20.77 ? 415 HOH A O   1 
HETATM 1619 O  O   . HOH O 6 .   ? 10.725 3.571   52.196 1.00 20.78 ? 416 HOH A O   1 
HETATM 1620 O  O   . HOH O 6 .   ? 24.158 -3.980  54.699 1.00 30.00 ? 417 HOH A O   1 
HETATM 1621 O  O   . HOH O 6 .   ? 50.646 20.918  36.966 1.00 26.89 ? 418 HOH A O   1 
HETATM 1622 O  O   . HOH O 6 .   ? 50.836 24.670  32.181 1.00 19.98 ? 419 HOH A O   1 
HETATM 1623 O  O   . HOH O 6 .   ? 49.934 8.993   29.117 1.00 24.95 ? 420 HOH A O   1 
HETATM 1624 O  O   . HOH O 6 .   ? 38.490 33.028  37.902 1.00 29.06 ? 421 HOH A O   1 
HETATM 1625 O  O   . HOH O 6 .   ? 43.726 22.597  20.820 1.00 9.39  ? 422 HOH A O   1 
HETATM 1626 O  O   . HOH O 6 .   ? 20.189 24.373  33.762 1.00 24.56 ? 423 HOH A O   1 
HETATM 1627 O  O   . HOH O 6 .   ? 35.545 4.889   45.874 1.00 14.09 ? 424 HOH A O   1 
HETATM 1628 O  O   . HOH O 6 .   ? 46.879 30.219  31.970 1.00 35.97 ? 425 HOH A O   1 
HETATM 1629 O  O   . HOH O 6 .   ? 30.728 9.206   26.706 1.00 24.69 ? 426 HOH A O   1 
HETATM 1630 O  O   . HOH O 6 .   ? 38.601 18.697  43.515 1.00 20.22 ? 427 HOH A O   1 
HETATM 1631 O  O   . HOH O 6 .   ? 6.431  -3.344  57.043 1.00 30.05 ? 428 HOH A O   1 
HETATM 1632 O  O   . HOH O 6 .   ? 49.937 26.246  20.790 1.00 27.51 ? 429 HOH A O   1 
HETATM 1633 O  O   . HOH O 6 .   ? 36.989 1.103   50.558 1.00 17.91 ? 430 HOH A O   1 
HETATM 1634 O  O   . HOH O 6 .   ? 16.475 9.779   57.311 1.00 30.00 ? 431 HOH A O   1 
HETATM 1635 O  O   . HOH O 6 .   ? 39.174 11.220  47.286 1.00 34.29 ? 432 HOH A O   1 
HETATM 1636 O  O   . HOH O 6 .   ? 14.568 2.005   52.772 1.00 12.21 ? 433 HOH A O   1 
HETATM 1637 O  O   . HOH O 6 .   ? 12.061 8.838   38.659 1.00 31.51 ? 434 HOH A O   1 
HETATM 1638 O  O   . HOH O 6 .   ? 32.174 25.623  45.116 1.00 13.63 ? 435 HOH A O   1 
HETATM 1639 O  O   . HOH O 6 .   ? 51.285 7.829   36.690 1.00 29.75 ? 436 HOH A O   1 
HETATM 1640 O  O   . HOH O 6 .   ? 28.148 11.229  34.669 1.00 24.51 ? 437 HOH A O   1 
HETATM 1641 O  O   . HOH O 6 .   ? 34.772 -1.800  53.371 1.00 25.75 ? 438 HOH A O   1 
HETATM 1642 O  O   . HOH O 6 .   ? 33.276 6.442   44.955 1.00 16.49 ? 439 HOH A O   1 
HETATM 1643 O  O   . HOH O 6 .   ? 52.205 15.235  21.602 1.00 30.88 ? 440 HOH A O   1 
HETATM 1644 O  O   . HOH O 6 .   ? 9.000  -3.829  58.668 1.00 36.53 ? 441 HOH A O   1 
HETATM 1645 O  O   . HOH O 6 .   ? 34.016 30.972  33.740 1.00 37.91 ? 442 HOH A O   1 
HETATM 1646 O  O   . HOH O 6 .   ? 47.761 13.074  36.141 1.00 25.91 ? 443 HOH A O   1 
HETATM 1647 O  O   . HOH O 6 .   ? 43.433 4.389   44.628 1.00 21.01 ? 444 HOH A O   1 
HETATM 1648 O  O   . HOH O 6 .   ? 30.800 17.009  48.777 1.00 23.21 ? 445 HOH A O   1 
HETATM 1649 O  O   . HOH O 6 .   ? 23.023 11.881  52.772 1.00 34.15 ? 446 HOH A O   1 
HETATM 1650 O  O   . HOH O 6 .   ? 28.621 12.047  29.729 1.00 30.34 ? 447 HOH A O   1 
HETATM 1651 O  O   . HOH O 6 .   ? 9.699  12.598  43.435 1.00 15.85 ? 448 HOH A O   1 
HETATM 1652 O  O   . HOH O 6 .   ? 48.788 14.860  34.093 1.00 19.06 ? 449 HOH A O   1 
HETATM 1653 O  O   . HOH O 6 .   ? 25.660 8.236   53.508 1.00 20.99 ? 450 HOH A O   1 
HETATM 1654 O  O   . HOH O 6 .   ? 14.137 4.576   38.053 1.00 25.14 ? 451 HOH A O   1 
HETATM 1655 O  O   . HOH O 6 .   ? 43.632 5.716   47.161 1.00 23.27 ? 452 HOH A O   1 
HETATM 1656 O  O   . HOH O 6 .   ? 41.276 27.494  41.050 1.00 26.86 ? 453 HOH A O   1 
HETATM 1657 O  O   . HOH O 6 .   ? 45.160 28.382  39.006 1.00 32.89 ? 454 HOH A O   1 
HETATM 1658 O  O   . HOH O 6 .   ? 41.107 22.800  41.853 1.00 32.51 ? 455 HOH A O   1 
HETATM 1659 O  O   . HOH O 6 .   ? 22.671 17.329  53.920 1.00 39.99 ? 456 HOH A O   1 
HETATM 1660 O  O   . HOH O 6 .   ? 40.614 26.018  23.698 1.00 8.04  ? 457 HOH A O   1 
HETATM 1661 O  O   . HOH O 6 .   ? 45.010 10.975  38.784 1.00 31.39 ? 458 HOH A O   1 
HETATM 1662 O  O   . HOH O 6 .   ? 40.538 20.897  40.144 1.00 23.56 ? 459 HOH A O   1 
HETATM 1663 O  O   . HOH O 6 .   ? 31.064 9.179   48.661 1.00 22.38 ? 460 HOH A O   1 
HETATM 1664 O  O   . HOH O 6 .   ? 8.997  12.073  56.318 1.00 35.55 ? 461 HOH A O   1 
HETATM 1665 O  O   . HOH O 6 .   ? 26.479 -7.838  46.821 1.00 14.06 ? 462 HOH A O   1 
HETATM 1666 O  O   . HOH O 6 .   ? 24.428 0.590   56.152 1.00 38.83 ? 463 HOH A O   1 
HETATM 1667 O  O   . HOH O 6 .   ? 36.247 6.140   50.695 1.00 31.91 ? 464 HOH A O   1 
HETATM 1668 O  O   . HOH O 6 .   ? 34.682 22.773  49.049 1.00 43.33 ? 465 HOH A O   1 
HETATM 1669 O  O   . HOH O 6 .   ? 19.692 -3.568  55.924 1.00 28.81 ? 466 HOH A O   1 
HETATM 1670 O  O   . HOH O 6 .   ? 53.349 15.132  17.660 1.00 25.65 ? 467 HOH A O   1 
HETATM 1671 O  O   . HOH O 6 .   ? 18.794 12.750  36.291 1.00 32.45 ? 468 HOH A O   1 
HETATM 1672 O  O   . HOH O 6 .   ? 37.951 31.899  30.570 1.00 20.95 ? 469 HOH A O   1 
HETATM 1673 O  O   . HOH O 6 .   ? 47.879 27.467  29.778 1.00 27.12 ? 470 HOH A O   1 
HETATM 1674 O  O   . HOH O 6 .   ? 40.354 29.763  41.725 1.00 31.54 ? 471 HOH A O   1 
HETATM 1675 O  O   . HOH O 6 .   ? 43.738 9.873   40.856 1.00 28.19 ? 472 HOH A O   1 
HETATM 1676 O  O   . HOH O 6 .   ? 12.806 2.542   50.535 1.00 14.04 ? 473 HOH A O   1 
HETATM 1677 O  O   . HOH O 6 .   ? 34.370 14.977  17.902 1.00 27.04 ? 474 HOH A O   1 
HETATM 1678 O  O   . HOH O 6 .   ? 49.739 32.788  24.394 1.00 40.08 ? 475 HOH A O   1 
HETATM 1679 O  O   . HOH O 6 .   ? 32.337 11.183  49.745 1.00 31.36 ? 476 HOH A O   1 
HETATM 1680 O  O   . HOH O 6 .   ? 31.906 13.414  50.667 1.00 25.47 ? 477 HOH A O   1 
HETATM 1681 O  O   . HOH O 6 .   ? 35.596 30.552  39.783 1.00 23.63 ? 478 HOH A O   1 
HETATM 1682 O  O   . HOH O 6 .   ? 23.096 -11.561 56.137 1.00 34.88 ? 479 HOH A O   1 
HETATM 1683 O  O   . HOH O 6 .   ? 38.745 26.327  44.025 1.00 25.37 ? 480 HOH A O   1 
HETATM 1684 O  O   . HOH O 6 .   ? 13.550 1.744   55.029 1.00 29.07 ? 481 HOH A O   1 
HETATM 1685 O  O   . HOH O 6 .   ? 45.614 22.405  40.496 1.00 31.23 ? 482 HOH A O   1 
HETATM 1686 O  O   . HOH O 6 .   ? 24.580 10.625  54.709 1.00 26.39 ? 483 HOH A O   1 
HETATM 1687 O  O   . HOH O 6 .   ? 17.780 1.123   58.893 1.00 33.64 ? 484 HOH A O   1 
HETATM 1688 O  O   . HOH O 6 .   ? 33.668 16.964  48.430 1.00 26.67 ? 485 HOH A O   1 
HETATM 1689 O  O   . HOH O 6 .   ? 28.459 7.718   52.386 1.00 21.27 ? 486 HOH A O   1 
HETATM 1690 O  O   . HOH O 6 .   ? 37.375 0.003   53.091 0.47 19.68 ? 487 HOH A O   1 
HETATM 1691 O  O   . HOH O 6 .   ? 33.857 4.967   54.884 1.00 40.85 ? 488 HOH A O   1 
HETATM 1692 O  O   . HOH O 6 .   ? 27.724 15.170  51.648 1.00 26.02 ? 489 HOH A O   1 
HETATM 1693 O  O   . HOH O 6 .   ? 14.594 3.058   57.404 1.00 27.80 ? 490 HOH A O   1 
HETATM 1694 O  O   . HOH O 6 .   ? 51.976 12.577  31.189 1.00 24.95 ? 491 HOH A O   1 
HETATM 1695 O  O   . HOH O 6 .   ? 52.972 13.647  28.902 1.00 26.49 ? 492 HOH A O   1 
HETATM 1696 O  O   . HOH O 6 .   ? 34.893 27.994  43.730 1.00 23.04 ? 493 HOH A O   1 
HETATM 1697 O  O   . HOH O 6 .   ? 46.155 33.784  29.366 1.00 32.51 ? 494 HOH A O   1 
HETATM 1698 O  O   . HOH O 6 .   ? 34.234 14.952  49.837 1.00 34.38 ? 495 HOH A O   1 
HETATM 1699 O  O   . HOH O 6 .   ? 38.753 29.276  43.524 1.00 31.61 ? 496 HOH A O   1 
HETATM 1700 O  O   . HOH O 6 .   ? 42.894 36.000  29.918 1.00 25.10 ? 497 HOH A O   1 
HETATM 1701 O  O   . HOH O 6 .   ? 14.466 5.551   58.859 1.00 34.20 ? 498 HOH A O   1 
HETATM 1702 O  O   . HOH O 6 .   ? 13.962 1.534   59.581 1.00 37.63 ? 499 HOH A O   1 
HETATM 1703 O  O   . HOH O 6 .   ? 31.077 12.791  53.555 1.00 44.54 ? 500 HOH A O   1 
HETATM 1704 O  O   . HOH O 6 .   ? 26.661 12.189  55.327 1.00 37.90 ? 501 HOH A O   1 
HETATM 1705 O  O   . HOH O 6 .   ? 28.513 13.784  53.989 1.00 33.42 ? 502 HOH A O   1 
HETATM 1706 O  O   . HOH O 6 .   ? 28.772 11.037  55.167 1.00 43.26 ? 503 HOH A O   1 
# 
