data_9KKR
# 
_entry.id   9KKR 
# 
_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   9KKR         pdb_00009kkr 10.2210/pdb9kkr/pdb 
WWPDB D_1300053712 ?            ?                   
# 
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                        9KKR 
_pdbx_database_status.recvd_initial_deposition_date   2024-11-14 
_pdbx_database_status.SG_entry                        N 
_pdbx_database_status.deposit_site                    PDBJ 
_pdbx_database_status.process_site                    PDBJ 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.status_code_nmr_data            ? 
_pdbx_database_status.methods_development_category    ? 
_pdbx_database_status.pdb_format_compatible           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' 19952.709 1   ? E53F/E56F/E57F/R59F/E60F/E63F ? ? 
2 non-polymer syn 'CADMIUM ION'          112.411   7   ? ?                             ? ? 
3 non-polymer syn 'SULFATE ION'          96.063    1   ? ?                             ? ? 
4 non-polymer syn 'CHLORIDE ION'         35.453    1   ? ?                             ? ? 
5 non-polymer syn 1,2-ETHANEDIOL         62.068    2   ? ?                             ? ? 
6 water       nat water                  18.015    212 ? ?                             ? ? 
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        'Ferritin L subunit' 
# 
_entity_poly.entity_id                      1 
_entity_poly.type                           'polypeptide(L)' 
_entity_poly.nstd_linkage                   no 
_entity_poly.nstd_monomer                   no 
_entity_poly.pdbx_seq_one_letter_code       
;SSQIRQNYSTEVEAAVNRLVNLYLRASYTYLSLGFYFDRDDVALEGVCHFFRFLAFFKFFGAFRLLKMQNQRGGRALFQD
LQKPSQDEWGTTLDAMKAAIVLEKSLNQALLDLHALGSAQADPHLCDFLESHFLDEEVKLIKKMGDHLTNIQRLVGSQAG
LGEYLFERLTLKHD
;
_entity_poly.pdbx_seq_one_letter_code_can   
;SSQIRQNYSTEVEAAVNRLVNLYLRASYTYLSLGFYFDRDDVALEGVCHFFRFLAFFKFFGAFRLLKMQNQRGGRALFQD
LQKPSQDEWGTTLDAMKAAIVLEKSLNQALLDLHALGSAQADPHLCDFLESHFLDEEVKLIKKMGDHLTNIQRLVGSQAG
LGEYLFERLTLKHD
;
_entity_poly.pdbx_strand_id                 A 
_entity_poly.pdbx_target_identifier         ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
2 'CADMIUM ION'  CD  
3 'SULFATE ION'  SO4 
4 'CHLORIDE ION' CL  
5 1,2-ETHANEDIOL EDO 
6 water          HOH 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   SER n 
1 2   SER n 
1 3   GLN n 
1 4   ILE n 
1 5   ARG n 
1 6   GLN n 
1 7   ASN n 
1 8   TYR n 
1 9   SER n 
1 10  THR n 
1 11  GLU n 
1 12  VAL n 
1 13  GLU n 
1 14  ALA n 
1 15  ALA n 
1 16  VAL n 
1 17  ASN n 
1 18  ARG n 
1 19  LEU n 
1 20  VAL n 
1 21  ASN n 
1 22  LEU n 
1 23  TYR n 
1 24  LEU n 
1 25  ARG n 
1 26  ALA n 
1 27  SER n 
1 28  TYR n 
1 29  THR n 
1 30  TYR n 
1 31  LEU n 
1 32  SER n 
1 33  LEU n 
1 34  GLY n 
1 35  PHE n 
1 36  TYR n 
1 37  PHE n 
1 38  ASP n 
1 39  ARG n 
1 40  ASP n 
1 41  ASP n 
1 42  VAL n 
1 43  ALA n 
1 44  LEU n 
1 45  GLU n 
1 46  GLY n 
1 47  VAL n 
1 48  CYS n 
1 49  HIS n 
1 50  PHE n 
1 51  PHE n 
1 52  ARG n 
1 53  PHE n 
1 54  LEU n 
1 55  ALA n 
1 56  PHE n 
1 57  PHE n 
1 58  LYS n 
1 59  PHE n 
1 60  PHE n 
1 61  GLY n 
1 62  ALA n 
1 63  PHE n 
1 64  ARG n 
1 65  LEU n 
1 66  LEU n 
1 67  LYS n 
1 68  MET n 
1 69  GLN n 
1 70  ASN n 
1 71  GLN n 
1 72  ARG n 
1 73  GLY n 
1 74  GLY n 
1 75  ARG n 
1 76  ALA n 
1 77  LEU n 
1 78  PHE n 
1 79  GLN n 
1 80  ASP n 
1 81  LEU n 
1 82  GLN n 
1 83  LYS n 
1 84  PRO n 
1 85  SER n 
1 86  GLN n 
1 87  ASP n 
1 88  GLU n 
1 89  TRP n 
1 90  GLY n 
1 91  THR n 
1 92  THR n 
1 93  LEU n 
1 94  ASP n 
1 95  ALA n 
1 96  MET n 
1 97  LYS n 
1 98  ALA n 
1 99  ALA n 
1 100 ILE n 
1 101 VAL n 
1 102 LEU n 
1 103 GLU n 
1 104 LYS n 
1 105 SER n 
1 106 LEU n 
1 107 ASN n 
1 108 GLN n 
1 109 ALA n 
1 110 LEU n 
1 111 LEU n 
1 112 ASP n 
1 113 LEU n 
1 114 HIS n 
1 115 ALA n 
1 116 LEU n 
1 117 GLY n 
1 118 SER n 
1 119 ALA n 
1 120 GLN n 
1 121 ALA n 
1 122 ASP n 
1 123 PRO n 
1 124 HIS n 
1 125 LEU n 
1 126 CYS n 
1 127 ASP n 
1 128 PHE n 
1 129 LEU n 
1 130 GLU n 
1 131 SER n 
1 132 HIS n 
1 133 PHE n 
1 134 LEU n 
1 135 ASP n 
1 136 GLU n 
1 137 GLU n 
1 138 VAL n 
1 139 LYS n 
1 140 LEU n 
1 141 ILE n 
1 142 LYS n 
1 143 LYS n 
1 144 MET n 
1 145 GLY n 
1 146 ASP n 
1 147 HIS n 
1 148 LEU n 
1 149 THR n 
1 150 ASN n 
1 151 ILE n 
1 152 GLN n 
1 153 ARG n 
1 154 LEU n 
1 155 VAL n 
1 156 GLY n 
1 157 SER n 
1 158 GLN n 
1 159 ALA n 
1 160 GLY n 
1 161 LEU n 
1 162 GLY n 
1 163 GLU n 
1 164 TYR n 
1 165 LEU n 
1 166 PHE n 
1 167 GLU n 
1 168 ARG n 
1 169 LEU n 
1 170 THR n 
1 171 LEU n 
1 172 LYS n 
1 173 HIS n 
1 174 ASP n 
# 
_entity_src_gen.entity_id                          1 
_entity_src_gen.pdbx_src_id                        1 
_entity_src_gen.pdbx_alt_source_flag               sample 
_entity_src_gen.pdbx_seq_type                      'Biological sequence' 
_entity_src_gen.pdbx_beg_seq_num                   1 
_entity_src_gen.pdbx_end_seq_num                   174 
_entity_src_gen.gene_src_common_name               horse 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 FTL 
_entity_src_gen.gene_src_species                   ? 
_entity_src_gen.gene_src_strain                    ? 
_entity_src_gen.gene_src_tissue                    ? 
_entity_src_gen.gene_src_tissue_fraction           ? 
_entity_src_gen.gene_src_details                   ? 
_entity_src_gen.pdbx_gene_src_fragment             ? 
_entity_src_gen.pdbx_gene_src_scientific_name      'Equus caballus' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     9796 
_entity_src_gen.pdbx_gene_src_variant              ? 
_entity_src_gen.pdbx_gene_src_cell_line            ? 
_entity_src_gen.pdbx_gene_src_atcc                 ? 
_entity_src_gen.pdbx_gene_src_organ                ? 
_entity_src_gen.pdbx_gene_src_organelle            ? 
_entity_src_gen.pdbx_gene_src_cell                 ? 
_entity_src_gen.pdbx_gene_src_cellular_location    ? 
_entity_src_gen.host_org_common_name               ? 
_entity_src_gen.pdbx_host_org_scientific_name      'Escherichia coli' 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     562 
_entity_src_gen.host_org_genus                     ? 
_entity_src_gen.pdbx_host_org_gene                 ? 
_entity_src_gen.pdbx_host_org_organ                ? 
_entity_src_gen.host_org_species                   ? 
_entity_src_gen.pdbx_host_org_tissue               ? 
_entity_src_gen.pdbx_host_org_tissue_fraction      ? 
_entity_src_gen.pdbx_host_org_strain               ? 
_entity_src_gen.pdbx_host_org_variant              ? 
_entity_src_gen.pdbx_host_org_cell_line            ? 
_entity_src_gen.pdbx_host_org_atcc                 ? 
_entity_src_gen.pdbx_host_org_culture_collection   ? 
_entity_src_gen.pdbx_host_org_cell                 ? 
_entity_src_gen.pdbx_host_org_organelle            ? 
_entity_src_gen.pdbx_host_org_cellular_location    ? 
_entity_src_gen.pdbx_host_org_vector_type          ? 
_entity_src_gen.pdbx_host_org_vector               ? 
_entity_src_gen.host_org_details                   ? 
_entity_src_gen.expression_system_id               ? 
_entity_src_gen.plasmid_name                       ? 
_entity_src_gen.plasmid_details                    ? 
_entity_src_gen.pdbx_description                   ? 
# 
loop_
_chem_comp.id 
_chem_comp.type 
_chem_comp.mon_nstd_flag 
_chem_comp.name 
_chem_comp.pdbx_synonyms 
_chem_comp.formula 
_chem_comp.formula_weight 
ALA 'L-peptide linking' y ALANINE         ?                 'C3 H7 N O2'     89.093  
ARG 'L-peptide linking' y ARGININE        ?                 'C6 H15 N4 O2 1' 175.209 
ASN 'L-peptide linking' y ASPARAGINE      ?                 'C4 H8 N2 O3'    132.118 
ASP 'L-peptide linking' y 'ASPARTIC ACID' ?                 'C4 H7 N O4'     133.103 
CD  non-polymer         . 'CADMIUM ION'   ?                 'Cd 2'           112.411 
CL  non-polymer         . 'CHLORIDE ION'  ?                 'Cl -1'          35.453  
CYS 'L-peptide linking' y CYSTEINE        ?                 'C3 H7 N O2 S'   121.158 
EDO non-polymer         . 1,2-ETHANEDIOL  'ETHYLENE GLYCOL' 'C2 H6 O2'       62.068  
GLN 'L-peptide linking' y GLUTAMINE       ?                 'C5 H10 N2 O3'   146.144 
GLU 'L-peptide linking' y 'GLUTAMIC ACID' ?                 'C5 H9 N O4'     147.129 
GLY 'peptide linking'   y GLYCINE         ?                 'C2 H5 N O2'     75.067  
HIS 'L-peptide linking' y HISTIDINE       ?                 'C6 H10 N3 O2 1' 156.162 
HOH non-polymer         . WATER           ?                 'H2 O'           18.015  
ILE 'L-peptide linking' y ISOLEUCINE      ?                 'C6 H13 N O2'    131.173 
LEU 'L-peptide linking' y LEUCINE         ?                 'C6 H13 N O2'    131.173 
LYS 'L-peptide linking' y LYSINE          ?                 'C6 H15 N2 O2 1' 147.195 
MET 'L-peptide linking' y METHIONINE      ?                 'C5 H11 N O2 S'  149.211 
PHE 'L-peptide linking' y PHENYLALANINE   ?                 'C9 H11 N O2'    165.189 
PRO 'L-peptide linking' y PROLINE         ?                 'C5 H9 N O2'     115.130 
SER 'L-peptide linking' y SERINE          ?                 'C3 H7 N O3'     105.093 
SO4 non-polymer         . 'SULFATE ION'   ?                 'O4 S -2'        96.063  
THR 'L-peptide linking' y THREONINE       ?                 'C4 H9 N O3'     119.119 
TRP 'L-peptide linking' y TRYPTOPHAN      ?                 'C11 H12 N2 O2'  204.225 
TYR 'L-peptide linking' y TYROSINE        ?                 'C9 H11 N O3'    181.189 
VAL 'L-peptide linking' y VALINE          ?                 'C5 H11 N O2'    117.146 
# 
loop_
_pdbx_poly_seq_scheme.asym_id 
_pdbx_poly_seq_scheme.entity_id 
_pdbx_poly_seq_scheme.seq_id 
_pdbx_poly_seq_scheme.mon_id 
_pdbx_poly_seq_scheme.ndb_seq_num 
_pdbx_poly_seq_scheme.pdb_seq_num 
_pdbx_poly_seq_scheme.auth_seq_num 
_pdbx_poly_seq_scheme.pdb_mon_id 
_pdbx_poly_seq_scheme.auth_mon_id 
_pdbx_poly_seq_scheme.pdb_strand_id 
_pdbx_poly_seq_scheme.pdb_ins_code 
_pdbx_poly_seq_scheme.hetero 
A 1 1   SER 1   1   1   SER SER A . n 
A 1 2   SER 2   2   2   SER SER A . n 
A 1 3   GLN 3   3   3   GLN GLN A . n 
A 1 4   ILE 4   4   4   ILE ILE A . n 
A 1 5   ARG 5   5   5   ARG ARG A . n 
A 1 6   GLN 6   6   6   GLN GLN A . n 
A 1 7   ASN 7   7   7   ASN ASN A . n 
A 1 8   TYR 8   8   8   TYR TYR A . n 
A 1 9   SER 9   9   9   SER SER A . n 
A 1 10  THR 10  10  10  THR THR A . n 
A 1 11  GLU 11  11  11  GLU GLU A . n 
A 1 12  VAL 12  12  12  VAL VAL A . n 
A 1 13  GLU 13  13  13  GLU GLU A . n 
A 1 14  ALA 14  14  14  ALA ALA A . n 
A 1 15  ALA 15  15  15  ALA ALA A . n 
A 1 16  VAL 16  16  16  VAL VAL A . n 
A 1 17  ASN 17  17  17  ASN ASN A . n 
A 1 18  ARG 18  18  18  ARG ARG A . n 
A 1 19  LEU 19  19  19  LEU LEU A . n 
A 1 20  VAL 20  20  20  VAL VAL A . n 
A 1 21  ASN 21  21  21  ASN ASN A . n 
A 1 22  LEU 22  22  22  LEU LEU A . n 
A 1 23  TYR 23  23  23  TYR TYR A . n 
A 1 24  LEU 24  24  24  LEU LEU A . n 
A 1 25  ARG 25  25  25  ARG ARG A . n 
A 1 26  ALA 26  26  26  ALA ALA A . n 
A 1 27  SER 27  27  27  SER SER A . n 
A 1 28  TYR 28  28  28  TYR TYR A . n 
A 1 29  THR 29  29  29  THR THR A . n 
A 1 30  TYR 30  30  30  TYR TYR A . n 
A 1 31  LEU 31  31  31  LEU LEU A . n 
A 1 32  SER 32  32  32  SER SER A . n 
A 1 33  LEU 33  33  33  LEU LEU A . n 
A 1 34  GLY 34  34  34  GLY GLY A . n 
A 1 35  PHE 35  35  35  PHE PHE A . n 
A 1 36  TYR 36  36  36  TYR TYR A . n 
A 1 37  PHE 37  37  37  PHE PHE A . n 
A 1 38  ASP 38  38  38  ASP ASP A . n 
A 1 39  ARG 39  39  39  ARG ARG A . n 
A 1 40  ASP 40  40  40  ASP ASP A . n 
A 1 41  ASP 41  41  41  ASP ASP A . n 
A 1 42  VAL 42  42  42  VAL VAL A . n 
A 1 43  ALA 43  43  43  ALA ALA A . n 
A 1 44  LEU 44  44  44  LEU LEU A . n 
A 1 45  GLU 45  45  45  GLU GLU A . n 
A 1 46  GLY 46  46  46  GLY GLY A . n 
A 1 47  VAL 47  47  47  VAL VAL A . n 
A 1 48  CYS 48  48  48  CYS CYS A . n 
A 1 49  HIS 49  49  49  HIS HIS A . n 
A 1 50  PHE 50  50  50  PHE PHE A . n 
A 1 51  PHE 51  51  51  PHE PHE A . n 
A 1 52  ARG 52  52  52  ARG ARG A . n 
A 1 53  PHE 53  53  53  PHE PHE A . n 
A 1 54  LEU 54  54  54  LEU LEU A . n 
A 1 55  ALA 55  55  55  ALA ALA A . n 
A 1 56  PHE 56  56  56  PHE PHE A . n 
A 1 57  PHE 57  57  57  PHE PHE A . n 
A 1 58  LYS 58  58  58  LYS LYS A . n 
A 1 59  PHE 59  59  59  PHE PHE A . n 
A 1 60  PHE 60  60  60  PHE PHE A . n 
A 1 61  GLY 61  61  61  GLY GLY A . n 
A 1 62  ALA 62  62  62  ALA ALA A . n 
A 1 63  PHE 63  63  63  PHE PHE A . n 
A 1 64  ARG 64  64  64  ARG ARG A . n 
A 1 65  LEU 65  65  65  LEU LEU A . n 
A 1 66  LEU 66  66  66  LEU LEU A . n 
A 1 67  LYS 67  67  67  LYS LYS A . n 
A 1 68  MET 68  68  68  MET MET A . n 
A 1 69  GLN 69  69  69  GLN GLN A . n 
A 1 70  ASN 70  70  70  ASN ASN A . n 
A 1 71  GLN 71  71  71  GLN GLN A . n 
A 1 72  ARG 72  72  72  ARG ARG A . n 
A 1 73  GLY 73  73  73  GLY GLY A . n 
A 1 74  GLY 74  74  74  GLY GLY A . n 
A 1 75  ARG 75  75  75  ARG ARG A . n 
A 1 76  ALA 76  76  76  ALA ALA A . n 
A 1 77  LEU 77  77  77  LEU LEU A . n 
A 1 78  PHE 78  78  78  PHE PHE A . n 
A 1 79  GLN 79  79  79  GLN GLN A . n 
A 1 80  ASP 80  80  80  ASP ASP A . n 
A 1 81  LEU 81  81  81  LEU LEU A . n 
A 1 82  GLN 82  82  82  GLN 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 4 CL  1   209 1   CL  CL  A . 
K 5 EDO 1   210 301 EDO EDO A . 
L 5 EDO 1   211 602 EDO EDO A . 
M 6 HOH 1   301 230 HOH HOH A . 
M 6 HOH 2   302 122 HOH HOH A . 
M 6 HOH 3   303 226 HOH HOH A . 
M 6 HOH 4   304 221 HOH HOH A . 
M 6 HOH 5   305 175 HOH HOH A . 
M 6 HOH 6   306 76  HOH HOH A . 
M 6 HOH 7   307 104 HOH HOH A . 
M 6 HOH 8   308 102 HOH HOH A . 
M 6 HOH 9   309 139 HOH HOH A . 
M 6 HOH 10  310 111 HOH HOH A . 
M 6 HOH 11  311 247 HOH HOH A . 
M 6 HOH 12  312 241 HOH HOH A . 
M 6 HOH 13  313 206 HOH HOH A . 
M 6 HOH 14  314 54  HOH HOH A . 
M 6 HOH 15  315 227 HOH HOH A . 
M 6 HOH 16  316 3   HOH HOH A . 
M 6 HOH 17  317 92  HOH HOH A . 
M 6 HOH 18  318 106 HOH HOH A . 
M 6 HOH 19  319 65  HOH HOH A . 
M 6 HOH 20  320 20  HOH HOH A . 
M 6 HOH 21  321 10  HOH HOH A . 
M 6 HOH 22  322 137 HOH HOH A . 
M 6 HOH 23  323 11  HOH HOH A . 
M 6 HOH 24  324 189 HOH HOH A . 
M 6 HOH 25  325 17  HOH HOH A . 
M 6 HOH 26  326 75  HOH HOH A . 
M 6 HOH 27  327 136 HOH HOH A . 
M 6 HOH 28  328 30  HOH HOH A . 
M 6 HOH 29  329 99  HOH HOH A . 
M 6 HOH 30  330 200 HOH HOH A . 
M 6 HOH 31  331 195 HOH HOH A . 
M 6 HOH 32  332 248 HOH HOH A . 
M 6 HOH 33  333 97  HOH HOH A . 
M 6 HOH 34  334 149 HOH HOH A . 
M 6 HOH 35  335 53  HOH HOH A . 
M 6 HOH 36  336 23  HOH HOH A . 
M 6 HOH 37  337 22  HOH HOH A . 
M 6 HOH 38  338 7   HOH HOH A . 
M 6 HOH 39  339 42  HOH HOH A . 
M 6 HOH 40  340 73  HOH HOH A . 
M 6 HOH 41  341 90  HOH HOH A . 
M 6 HOH 42  342 21  HOH HOH A . 
M 6 HOH 43  343 169 HOH HOH A . 
M 6 HOH 44  344 233 HOH HOH A . 
M 6 HOH 45  345 69  HOH HOH A . 
M 6 HOH 46  346 71  HOH HOH A . 
M 6 HOH 47  347 238 HOH HOH A . 
M 6 HOH 48  348 235 HOH HOH A . 
M 6 HOH 49  349 162 HOH HOH A . 
M 6 HOH 50  350 8   HOH HOH A . 
M 6 HOH 51  351 48  HOH HOH A . 
M 6 HOH 52  352 143 HOH HOH A . 
M 6 HOH 53  353 171 HOH HOH A . 
M 6 HOH 54  354 16  HOH HOH A . 
M 6 HOH 55  355 70  HOH HOH A . 
M 6 HOH 56  356 112 HOH HOH A . 
M 6 HOH 57  357 81  HOH HOH A . 
M 6 HOH 58  358 64  HOH HOH A . 
M 6 HOH 59  359 148 HOH HOH A . 
M 6 HOH 60  360 207 HOH HOH A . 
M 6 HOH 61  361 19  HOH HOH A . 
M 6 HOH 62  362 29  HOH HOH A . 
M 6 HOH 63  363 2   HOH HOH A . 
M 6 HOH 64  364 61  HOH HOH A . 
M 6 HOH 65  365 15  HOH HOH A . 
M 6 HOH 66  366 37  HOH HOH A . 
M 6 HOH 67  367 28  HOH HOH A . 
M 6 HOH 68  368 36  HOH HOH A . 
M 6 HOH 69  369 220 HOH HOH A . 
M 6 HOH 70  370 87  HOH HOH A . 
M 6 HOH 71  371 43  HOH HOH A . 
M 6 HOH 72  372 9   HOH HOH A . 
M 6 HOH 73  373 159 HOH HOH A . 
M 6 HOH 74  374 45  HOH HOH A . 
M 6 HOH 75  375 1   HOH HOH A . 
M 6 HOH 76  376 49  HOH HOH A . 
M 6 HOH 77  377 130 HOH HOH A . 
M 6 HOH 78  378 51  HOH HOH A . 
M 6 HOH 79  379 167 HOH HOH A . 
M 6 HOH 80  380 13  HOH HOH A . 
M 6 HOH 81  381 119 HOH HOH A . 
M 6 HOH 82  382 33  HOH HOH A . 
M 6 HOH 83  383 77  HOH HOH A . 
M 6 HOH 84  384 35  HOH HOH A . 
M 6 HOH 85  385 128 HOH HOH A . 
M 6 HOH 86  386 50  HOH HOH A . 
M 6 HOH 87  387 12  HOH HOH A . 
M 6 HOH 88  388 93  HOH HOH A . 
M 6 HOH 89  389 56  HOH HOH A . 
M 6 HOH 90  390 25  HOH HOH A . 
M 6 HOH 91  391 44  HOH HOH A . 
M 6 HOH 92  392 60  HOH HOH A . 
M 6 HOH 93  393 24  HOH HOH A . 
M 6 HOH 94  394 4   HOH HOH A . 
M 6 HOH 95  395 34  HOH HOH A . 
M 6 HOH 96  396 32  HOH HOH A . 
M 6 HOH 97  397 26  HOH HOH A . 
M 6 HOH 98  398 55  HOH HOH A . 
M 6 HOH 99  399 141 HOH HOH A . 
M 6 HOH 100 400 199 HOH HOH A . 
M 6 HOH 101 401 47  HOH HOH A . 
M 6 HOH 102 402 155 HOH HOH A . 
M 6 HOH 103 403 142 HOH HOH A . 
M 6 HOH 104 404 151 HOH HOH A . 
M 6 HOH 105 405 86  HOH HOH A . 
M 6 HOH 106 406 105 HOH HOH A . 
M 6 HOH 107 407 232 HOH HOH A . 
M 6 HOH 108 408 27  HOH HOH A . 
M 6 HOH 109 409 5   HOH HOH A . 
M 6 HOH 110 410 192 HOH HOH A . 
M 6 HOH 111 411 72  HOH HOH A . 
M 6 HOH 112 412 18  HOH HOH A . 
M 6 HOH 113 413 14  HOH HOH A . 
M 6 HOH 114 414 152 HOH HOH A . 
M 6 HOH 115 415 62  HOH HOH A . 
M 6 HOH 116 416 188 HOH HOH A . 
M 6 HOH 117 417 31  HOH HOH A . 
M 6 HOH 118 418 135 HOH HOH A . 
M 6 HOH 119 419 209 HOH HOH A . 
M 6 HOH 120 420 103 HOH HOH A . 
M 6 HOH 121 421 193 HOH HOH A . 
M 6 HOH 122 422 146 HOH HOH A . 
M 6 HOH 123 423 198 HOH HOH A . 
M 6 HOH 124 424 52  HOH HOH A . 
M 6 HOH 125 425 107 HOH HOH A . 
M 6 HOH 126 426 246 HOH HOH A . 
M 6 HOH 127 427 82  HOH HOH A . 
M 6 HOH 128 428 41  HOH HOH A . 
M 6 HOH 129 429 134 HOH HOH A . 
M 6 HOH 130 430 89  HOH HOH A . 
M 6 HOH 131 431 127 HOH HOH A . 
M 6 HOH 132 432 168 HOH HOH A . 
M 6 HOH 133 433 96  HOH HOH A . 
M 6 HOH 134 434 84  HOH HOH A . 
M 6 HOH 135 435 150 HOH HOH A . 
M 6 HOH 136 436 194 HOH HOH A . 
M 6 HOH 137 437 172 HOH HOH A . 
M 6 HOH 138 438 88  HOH HOH A . 
M 6 HOH 139 439 78  HOH HOH A . 
M 6 HOH 140 440 109 HOH HOH A . 
M 6 HOH 141 441 237 HOH HOH A . 
M 6 HOH 142 442 57  HOH HOH A . 
M 6 HOH 143 443 157 HOH HOH A . 
M 6 HOH 144 444 153 HOH HOH A . 
M 6 HOH 145 445 94  HOH HOH A . 
M 6 HOH 146 446 229 HOH HOH A . 
M 6 HOH 147 447 95  HOH HOH A . 
M 6 HOH 148 448 38  HOH HOH A . 
M 6 HOH 149 449 197 HOH HOH A . 
M 6 HOH 150 450 117 HOH HOH A . 
M 6 HOH 151 451 59  HOH HOH A . 
M 6 HOH 152 452 158 HOH HOH A . 
M 6 HOH 153 453 145 HOH HOH A . 
M 6 HOH 154 454 83  HOH HOH A . 
M 6 HOH 155 455 163 HOH HOH A . 
M 6 HOH 156 456 144 HOH HOH A . 
M 6 HOH 157 457 40  HOH HOH A . 
M 6 HOH 158 458 100 HOH HOH A . 
M 6 HOH 159 459 186 HOH HOH A . 
M 6 HOH 160 460 154 HOH HOH A . 
M 6 HOH 161 461 184 HOH HOH A . 
M 6 HOH 162 462 67  HOH HOH A . 
M 6 HOH 163 463 190 HOH HOH A . 
M 6 HOH 164 464 118 HOH HOH A . 
M 6 HOH 165 465 98  HOH HOH A . 
M 6 HOH 166 466 80  HOH HOH A . 
M 6 HOH 167 467 108 HOH HOH A . 
M 6 HOH 168 468 129 HOH HOH A . 
M 6 HOH 169 469 177 HOH HOH A . 
M 6 HOH 170 470 110 HOH HOH A . 
M 6 HOH 171 471 234 HOH HOH A . 
M 6 HOH 172 472 223 HOH HOH A . 
M 6 HOH 173 473 39  HOH HOH A . 
M 6 HOH 174 474 205 HOH HOH A . 
M 6 HOH 175 475 215 HOH HOH A . 
M 6 HOH 176 476 113 HOH HOH A . 
M 6 HOH 177 477 165 HOH HOH A . 
M 6 HOH 178 478 224 HOH HOH A . 
M 6 HOH 179 479 126 HOH HOH A . 
M 6 HOH 180 480 201 HOH HOH A . 
M 6 HOH 181 481 120 HOH HOH A . 
M 6 HOH 182 482 242 HOH HOH A . 
M 6 HOH 183 483 121 HOH HOH A . 
M 6 HOH 184 484 68  HOH HOH A . 
M 6 HOH 185 485 208 HOH HOH A . 
M 6 HOH 186 486 236 HOH HOH A . 
M 6 HOH 187 487 115 HOH HOH A . 
M 6 HOH 188 488 74  HOH HOH A . 
M 6 HOH 189 489 245 HOH HOH A . 
M 6 HOH 190 490 202 HOH HOH A . 
M 6 HOH 191 491 46  HOH HOH A . 
M 6 HOH 192 492 147 HOH HOH A . 
M 6 HOH 193 493 63  HOH HOH A . 
M 6 HOH 194 494 182 HOH HOH A . 
M 6 HOH 195 495 180 HOH HOH A . 
M 6 HOH 196 496 185 HOH HOH A . 
M 6 HOH 197 497 191 HOH HOH A . 
M 6 HOH 198 498 79  HOH HOH A . 
M 6 HOH 199 499 217 HOH HOH A . 
M 6 HOH 200 500 131 HOH HOH A . 
M 6 HOH 201 501 91  HOH HOH A . 
M 6 HOH 202 502 187 HOH HOH A . 
M 6 HOH 203 503 204 HOH HOH A . 
M 6 HOH 204 504 203 HOH HOH A . 
M 6 HOH 205 505 179 HOH HOH A . 
M 6 HOH 206 506 116 HOH HOH A . 
M 6 HOH 207 507 101 HOH HOH A . 
M 6 HOH 208 508 240 HOH HOH A . 
M 6 HOH 209 509 214 HOH HOH A . 
M 6 HOH 210 510 213 HOH HOH A . 
M 6 HOH 211 511 231 HOH HOH A . 
M 6 HOH 212 512 183 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 GLU 136 ? CD  ? A GLU 136 CD  
4  1 Y 1 A GLU 136 ? OE1 ? A GLU 136 OE1 
5  1 Y 1 A GLU 136 ? OE2 ? A GLU 136 OE2 
6  1 Y 1 A SER 157 ? CB  ? A SER 157 CB  
7  1 Y 1 A SER 157 ? OG  ? A SER 157 OG  
8  1 Y 1 A GLN 158 ? CG  ? A GLN 158 CG  
9  1 Y 1 A GLN 158 ? CD  ? A GLN 158 CD  
10 1 Y 1 A GLN 158 ? OE1 ? A GLN 158 OE1 
11 1 Y 1 A GLN 158 ? NE2 ? A GLN 158 NE2 
12 1 Y 1 A LYS 172 ? CG  ? A LYS 172 CG  
13 1 Y 1 A LYS 172 ? CD  ? A LYS 172 CD  
14 1 Y 1 A LYS 172 ? CE  ? A LYS 172 CE  
15 1 Y 1 A LYS 172 ? NZ  ? A LYS 172 NZ  
16 1 Y 1 A ASP 174 ? CB  ? A ASP 174 CB  
17 1 Y 1 A ASP 174 ? CG  ? A ASP 174 CG  
18 1 Y 1 A ASP 174 ? OD1 ? A ASP 174 OD1 
19 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                     9KKR 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     181.430 
_cell.length_a_esd                 ? 
_cell.length_b                     181.430 
_cell.length_b_esd                 ? 
_cell.length_c                     181.430 
_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                         9KKR 
_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                   9KKR 
_exptl.crystals_number            1 
_exptl.details                    ? 
_exptl.method                     'X-RAY DIFFRACTION' 
_exptl.method_details             ? 
# 
_exptl_crystal.colour                       ? 
_exptl_crystal.density_diffrn               ? 
_exptl_crystal.density_Matthews             3.12 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          60.55 
_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         2022-02-18 
_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                                       9KKR 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.50 
_reflns.d_resolution_low                               19.91 
_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                                     41371 
_reflns.observed_criterion                             ? 
_reflns.observed_criterion_F_max                       ? 
_reflns.observed_criterion_F_min                       ? 
_reflns.observed_criterion_I_max                       ? 
_reflns.observed_criterion_I_min                       ? 
_reflns.observed_criterion_sigma_F                     ? 
_reflns.observed_criterion_sigma_I                     ? 
_reflns.percent_possible_obs                           99.9 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                12.4 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          24.5 
_reflns.pdbx_res_netI_over_av_sigmaI_2                 ? 
_reflns.pdbx_res_netI_over_sigmaI_2                    ? 
_reflns.pdbx_chi_squared                               0.99 
_reflns.pdbx_scaling_rejects                           ? 
_reflns.pdbx_d_res_high_opt                            ? 
_reflns.pdbx_d_res_low_opt                             ? 
_reflns.pdbx_d_res_opt_method                          ? 
_reflns.phase_calculation_details                      ? 
_reflns.pdbx_Rrim_I_all                                0.073 
_reflns.pdbx_Rpim_I_all                                0.019 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       ? 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   0.999 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              0.070 
_reflns.pdbx_Rmerge_I_all                              ? 
_reflns.pdbx_Rsym_value                                ? 
_reflns.pdbx_CC_split_method                           ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_1                 ? 
_reflns.pdbx_aniso_diffraction_limit_2                 ? 
_reflns.pdbx_aniso_diffraction_limit_3                 ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_1               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_2               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_3               ? 
_reflns.pdbx_orthogonalization_convention              ? 
_reflns.pdbx_percent_possible_ellipsoidal              ? 
_reflns.pdbx_percent_possible_spherical                ? 
_reflns.pdbx_percent_possible_ellipsoidal_anomalous    ? 
_reflns.pdbx_percent_possible_spherical_anomalous      ? 
_reflns.pdbx_redundancy_anomalous                      ? 
_reflns.pdbx_CC_half_anomalous                         ? 
_reflns.pdbx_absDiff_over_sigma_anomalous              ? 
_reflns.pdbx_percent_possible_anomalous                ? 
_reflns.pdbx_observed_signal_threshold                 ? 
_reflns.pdbx_signal_type                               ? 
_reflns.pdbx_signal_details                            ? 
_reflns.pdbx_signal_software_id                        ? 
# 
_reflns_shell.d_res_high                                    1.50 
_reflns_shell.d_res_low                                     1.53 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           2.3 
_reflns_shell.number_measured_all                           ? 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             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                               8.0 
_reflns_shell.pdbx_chi_squared                              0.87 
_reflns_shell.pdbx_netI_over_sigmaI_all                     ? 
_reflns_shell.pdbx_netI_over_sigmaI_obs                     ? 
_reflns_shell.pdbx_Rrim_I_all                               0.824 
_reflns_shell.pdbx_Rpim_I_all                               0.284 
_reflns_shell.pdbx_rejects                                  ? 
_reflns_shell.pdbx_ordinal                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  0.867 
_reflns_shell.pdbx_CC_star                                  ? 
_reflns_shell.pdbx_R_split                                  ? 
_reflns_shell.percent_possible_all                          99.2 
_reflns_shell.Rmerge_I_all                                  ? 
_reflns_shell.Rmerge_I_obs                                  0.771 
_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                                  'Hydrogens have been added in their riding positions' 
_refine.diff_density_max                         ? 
_refine.diff_density_max_esd                     ? 
_refine.diff_density_min                         ? 
_refine.diff_density_min_esd                     ? 
_refine.diff_density_rms                         ? 
_refine.diff_density_rms_esd                     ? 
_refine.entry_id                                 9KKR 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_abs_structure_details                 ? 
_refine.ls_abs_structure_Flack                   ? 
_refine.ls_abs_structure_Flack_esd               ? 
_refine.ls_abs_structure_Rogers                  ? 
_refine.ls_abs_structure_Rogers_esd              ? 
_refine.ls_d_res_high                            1.50 
_refine.ls_d_res_low                             19.91 
_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                     40919 
_refine.ls_number_reflns_R_free                  2073 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    98.87 
_refine.ls_percent_reflns_R_free                 5.07 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.1861 
_refine.ls_R_factor_R_free                       0.2026 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.1852 
_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                 22.00 
_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                            0.14 
_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                        19.91 
_refine_hist.number_atoms_solvent             212 
_refine_hist.number_atoms_total               1621 
_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        1388 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         21 
_refine_hist.pdbx_number_atoms_lipid          ? 
_refine_hist.pdbx_number_atoms_carb           ? 
_refine_hist.pdbx_pseudo_atom_details         ? 
# 
loop_
_refine_ls_restr.pdbx_refine_id 
_refine_ls_restr.criterion 
_refine_ls_restr.dev_ideal 
_refine_ls_restr.dev_ideal_target 
_refine_ls_restr.number 
_refine_ls_restr.rejects 
_refine_ls_restr.type 
_refine_ls_restr.weight 
_refine_ls_restr.pdbx_restraint_function 
'X-RAY DIFFRACTION' ? 0.013  ? 1554 ? f_bond_d           ? ? 
'X-RAY DIFFRACTION' ? 1.649  ? 2112 ? f_angle_d          ? ? 
'X-RAY DIFFRACTION' ? 13.483 ? 590  ? f_dihedral_angle_d ? ? 
'X-RAY DIFFRACTION' ? 0.086  ? 227  ? f_chiral_restr     ? ? 
'X-RAY DIFFRACTION' ? 0.018  ? 275  ? 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  . . 130 2579 99.00  . . . . 0.2388 . . . . . . . . . . . 0.2802 
'X-RAY DIFFRACTION' 1.54 1.57  . . 118 2574 100.00 . . . . 0.2345 . . . . . . . . . . . 0.2587 
'X-RAY DIFFRACTION' 1.57 1.62  . . 145 2550 100.00 . . . . 0.2256 . . . . . . . . . . . 0.2447 
'X-RAY DIFFRACTION' 1.62 1.66  . . 139 2556 100.00 . . . . 0.2209 . . . . . . . . . . . 0.2391 
'X-RAY DIFFRACTION' 1.66 1.72  . . 134 2564 100.00 . . . . 0.2147 . . . . . . . . . . . 0.2856 
'X-RAY DIFFRACTION' 1.72 1.78  . . 126 2582 100.00 . . . . 0.2177 . . . . . . . . . . . 0.2161 
'X-RAY DIFFRACTION' 1.78 1.85  . . 137 2568 99.00  . . . . 0.2040 . . . . . . . . . . . 0.2522 
'X-RAY DIFFRACTION' 1.85 1.93  . . 128 2544 98.00  . . . . 0.2179 . . . . . . . . . . . 0.2295 
'X-RAY DIFFRACTION' 1.93 2.04  . . 120 2557 98.00  . . . . 0.2104 . . . . . . . . . . . 0.2066 
'X-RAY DIFFRACTION' 2.04 2.16  . . 153 2539 98.00  . . . . 0.1783 . . . . . . . . . . . 0.2475 
'X-RAY DIFFRACTION' 2.16 2.33  . . 126 2542 96.00  . . . . 0.1764 . . . . . . . . . . . 0.2182 
'X-RAY DIFFRACTION' 2.33 2.56  . . 140 2579 98.00  . . . . 0.1655 . . . . . . . . . . . 0.1833 
'X-RAY DIFFRACTION' 2.56 2.93  . . 150 2617 99.00  . . . . 0.1571 . . . . . . . . . . . 0.1664 
'X-RAY DIFFRACTION' 2.94 3.69  . . 152 2666 99.00  . . . . 0.1592 . . . . . . . . . . . 0.1820 
'X-RAY DIFFRACTION' 3.69 19.91 . . 175 2829 99.00  . . . . 0.1782 . . . . . . . . . . . 0.1683 
# 
_struct.entry_id                     9KKR 
_struct.title                        'Crystal structure of Horse spleen L-ferritin mutant (E53F/E56F/E57F/R59F/E60F/E63F)' 
_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        9KKR 
_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 4 ? 
K N N 5 ? 
L N N 5 ? 
M 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              9KKR 
_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 9KKR PHE A 53 ? UNP P02791 GLU 54 'engineered mutation' 53 1 
1 9KKR PHE A 56 ? UNP P02791 GLU 57 'engineered mutation' 56 2 
1 9KKR PHE A 57 ? UNP P02791 GLU 58 'engineered mutation' 57 3 
1 9KKR PHE A 59 ? UNP P02791 ARG 60 'engineered mutation' 59 4 
1 9KKR PHE A 60 ? UNP P02791 GLU 61 'engineered mutation' 60 5 
1 9KKR PHE A 63 ? UNP P02791 GLU 64 'engineered mutation' 63 6 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_and_software_defined_assembly 
_pdbx_struct_assembly.method_details       PISA 
_pdbx_struct_assembly.oligomeric_details   24-meric 
_pdbx_struct_assembly.oligomeric_count     24 
# 
loop_
_pdbx_struct_assembly_prop.biol_id 
_pdbx_struct_assembly_prop.type 
_pdbx_struct_assembly_prop.value 
_pdbx_struct_assembly_prop.details 
1 'ABSA (A^2)' 111360 ? 
1 MORE         -438   ? 
1 'SSA (A^2)'  137790 ? 
# 
_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 
# 
_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  ? ARG A 72  ? LEU A 44  ARG A 72  1 ? 29 
HELX_P HELX_P3 AA3 THR A 91  ? GLN A 120 ? THR A 91  GLN A 120 1 ? 30 
HELX_P HELX_P4 AA4 ASP A 122 ? PHE A 133 ? ASP A 122 PHE A 133 1 ? 12 
HELX_P HELX_P5 AA5 PHE A 133 ? LEU A 154 ? PHE A 133 LEU A 154 1 ? 22 
HELX_P HELX_P6 AA6 GLN A 158 ? THR A 170 ? GLN A 158 THR A 170 1 ? 13 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
loop_
_struct_conn.id 
_struct_conn.conn_type_id 
_struct_conn.pdbx_leaving_atom_flag 
_struct_conn.pdbx_PDB_id 
_struct_conn.ptnr1_label_asym_id 
_struct_conn.ptnr1_label_comp_id 
_struct_conn.ptnr1_label_seq_id 
_struct_conn.ptnr1_label_atom_id 
_struct_conn.pdbx_ptnr1_label_alt_id 
_struct_conn.pdbx_ptnr1_PDB_ins_code 
_struct_conn.pdbx_ptnr1_standard_comp_id 
_struct_conn.ptnr1_symmetry 
_struct_conn.ptnr2_label_asym_id 
_struct_conn.ptnr2_label_comp_id 
_struct_conn.ptnr2_label_seq_id 
_struct_conn.ptnr2_label_atom_id 
_struct_conn.pdbx_ptnr2_label_alt_id 
_struct_conn.pdbx_ptnr2_PDB_ins_code 
_struct_conn.ptnr1_auth_asym_id 
_struct_conn.ptnr1_auth_comp_id 
_struct_conn.ptnr1_auth_seq_id 
_struct_conn.ptnr2_auth_asym_id 
_struct_conn.ptnr2_auth_comp_id 
_struct_conn.ptnr2_auth_seq_id 
_struct_conn.ptnr2_symmetry 
_struct_conn.pdbx_ptnr3_label_atom_id 
_struct_conn.pdbx_ptnr3_label_seq_id 
_struct_conn.pdbx_ptnr3_label_comp_id 
_struct_conn.pdbx_ptnr3_label_asym_id 
_struct_conn.pdbx_ptnr3_label_alt_id 
_struct_conn.pdbx_ptnr3_PDB_ins_code 
_struct_conn.details 
_struct_conn.pdbx_dist_value 
_struct_conn.pdbx_value_order 
_struct_conn.pdbx_role 
metalc1  metalc ? ? A ASP 38  OD1 ? ? ? 1_555 B CD . CD ? ? A ASP 38  A CD 201 1_555  ? ? ? ? ? ? ? 2.484 ? ? 
metalc2  metalc ? ? A CYS 48  SG  ? ? ? 1_555 B CD . CD ? ? A CYS 48  A CD 201 1_555  ? ? ? ? ? ? ? 2.579 ? ? 
metalc3  metalc ? ? A ASP 80  OD1 ? ? ? 1_555 E CD . CD ? ? A ASP 80  A CD 204 1_555  ? ? ? ? ? ? ? 2.289 ? ? 
metalc4  metalc ? ? A ASP 80  OD2 ? ? ? 1_555 E CD . CD ? ? A ASP 80  A CD 204 1_555  ? ? ? ? ? ? ? 2.428 ? ? 
metalc5  metalc ? ? A ASP 80  OD1 ? ? ? 1_555 E CD . CD ? ? A ASP 80  A CD 204 72_555 ? ? ? ? ? ? ? 2.289 ? ? 
metalc6  metalc ? ? A ASP 80  OD2 ? ? ? 1_555 E CD . CD ? ? A ASP 80  A CD 204 72_555 ? ? ? ? ? ? ? 2.428 ? ? 
metalc7  metalc ? ? A GLU 130 OE1 ? ? ? 1_555 D CD . CD ? ? A GLU 130 A CD 203 1_555  ? ? ? ? ? ? ? 2.304 ? ? 
metalc8  metalc ? ? A GLU 130 OE1 ? ? ? 1_555 D CD . CD ? ? A GLU 130 A CD 203 5_555  ? ? ? ? ? ? ? 2.304 ? ? 
metalc9  metalc ? ? A GLU 130 OE1 ? ? ? 1_555 F CD . CD ? ? A GLU 130 A CD 205 1_555  ? ? ? ? ? ? ? 2.528 ? ? 
metalc10 metalc ? ? A GLU 130 OE1 ? ? ? 1_555 F CD . CD ? ? A GLU 130 A CD 205 9_555  ? ? ? ? ? ? ? 2.474 ? ? 
metalc11 metalc ? ? A HIS 132 NE2 ? ? ? 1_555 G CD . CD ? ? A HIS 132 A CD 206 1_555  ? ? ? ? ? ? ? 2.591 ? ? 
# 
_struct_conn_type.id          metalc 
_struct_conn_type.criteria    ? 
_struct_conn_type.reference   ? 
# 
loop_
_pdbx_struct_conn_angle.id 
_pdbx_struct_conn_angle.ptnr1_label_atom_id 
_pdbx_struct_conn_angle.ptnr1_label_alt_id 
_pdbx_struct_conn_angle.ptnr1_label_asym_id 
_pdbx_struct_conn_angle.ptnr1_label_comp_id 
_pdbx_struct_conn_angle.ptnr1_label_seq_id 
_pdbx_struct_conn_angle.ptnr1_auth_atom_id 
_pdbx_struct_conn_angle.ptnr1_auth_asym_id 
_pdbx_struct_conn_angle.ptnr1_auth_comp_id 
_pdbx_struct_conn_angle.ptnr1_auth_seq_id 
_pdbx_struct_conn_angle.ptnr1_PDB_ins_code 
_pdbx_struct_conn_angle.ptnr1_symmetry 
_pdbx_struct_conn_angle.ptnr2_label_atom_id 
_pdbx_struct_conn_angle.ptnr2_label_alt_id 
_pdbx_struct_conn_angle.ptnr2_label_asym_id 
_pdbx_struct_conn_angle.ptnr2_label_comp_id 
_pdbx_struct_conn_angle.ptnr2_label_seq_id 
_pdbx_struct_conn_angle.ptnr2_auth_atom_id 
_pdbx_struct_conn_angle.ptnr2_auth_asym_id 
_pdbx_struct_conn_angle.ptnr2_auth_comp_id 
_pdbx_struct_conn_angle.ptnr2_auth_seq_id 
_pdbx_struct_conn_angle.ptnr2_PDB_ins_code 
_pdbx_struct_conn_angle.ptnr2_symmetry 
_pdbx_struct_conn_angle.ptnr3_label_atom_id 
_pdbx_struct_conn_angle.ptnr3_label_alt_id 
_pdbx_struct_conn_angle.ptnr3_label_asym_id 
_pdbx_struct_conn_angle.ptnr3_label_comp_id 
_pdbx_struct_conn_angle.ptnr3_label_seq_id 
_pdbx_struct_conn_angle.ptnr3_auth_atom_id 
_pdbx_struct_conn_angle.ptnr3_auth_asym_id 
_pdbx_struct_conn_angle.ptnr3_auth_comp_id 
_pdbx_struct_conn_angle.ptnr3_auth_seq_id 
_pdbx_struct_conn_angle.ptnr3_PDB_ins_code 
_pdbx_struct_conn_angle.ptnr3_symmetry 
_pdbx_struct_conn_angle.value 
_pdbx_struct_conn_angle.value_esd 
1 OD1 ? A ASP 38  ? A ASP 38  ? 1_555 CD ? B CD . ? A CD 201 ? 1_555 SG  ? A CYS 48  ? A CYS 48  ? 1_555 119.7 ? 
2 OD1 ? A ASP 80  ? A ASP 80  ? 1_555 CD ? E CD . ? A CD 204 ? 1_555 OD2 ? A ASP 80  ? A ASP 80  ? 1_555 55.5  ? 
3 OD1 ? A ASP 80  ? A ASP 80  ? 1_555 CD ? E CD . ? A CD 204 ? 1_555 OD1 ? A ASP 80  ? A ASP 80  ? 1_555 0.0   ? 
4 OD2 ? A ASP 80  ? A ASP 80  ? 1_555 CD ? E CD . ? A CD 204 ? 1_555 OD1 ? A ASP 80  ? A ASP 80  ? 1_555 55.5  ? 
5 OD1 ? A ASP 80  ? A ASP 80  ? 1_555 CD ? E CD . ? A CD 204 ? 1_555 OD2 ? A ASP 80  ? A ASP 80  ? 1_555 55.5  ? 
6 OD2 ? A ASP 80  ? A ASP 80  ? 1_555 CD ? E CD . ? A CD 204 ? 1_555 OD2 ? A ASP 80  ? A ASP 80  ? 1_555 0.0   ? 
7 OD1 ? A ASP 80  ? A ASP 80  ? 1_555 CD ? E CD . ? A CD 204 ? 1_555 OD2 ? A ASP 80  ? A ASP 80  ? 1_555 55.5  ? 
8 OE1 ? A GLU 130 ? A GLU 130 ? 1_555 CD ? D CD . ? A CD 203 ? 1_555 OE1 ? A GLU 130 ? A GLU 130 ? 1_555 0.0   ? 
9 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                   9KKR 
_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 
# 
_pdbx_validate_rmsd_angle.id                         1 
_pdbx_validate_rmsd_angle.PDB_model_num              1 
_pdbx_validate_rmsd_angle.auth_atom_id_1             NE 
_pdbx_validate_rmsd_angle.auth_asym_id_1             A 
_pdbx_validate_rmsd_angle.auth_comp_id_1             ARG 
_pdbx_validate_rmsd_angle.auth_seq_id_1              52 
_pdbx_validate_rmsd_angle.PDB_ins_code_1             ? 
_pdbx_validate_rmsd_angle.label_alt_id_1             B 
_pdbx_validate_rmsd_angle.auth_atom_id_2             CZ 
_pdbx_validate_rmsd_angle.auth_asym_id_2             A 
_pdbx_validate_rmsd_angle.auth_comp_id_2             ARG 
_pdbx_validate_rmsd_angle.auth_seq_id_2              52 
_pdbx_validate_rmsd_angle.PDB_ins_code_2             ? 
_pdbx_validate_rmsd_angle.label_alt_id_2             B 
_pdbx_validate_rmsd_angle.auth_atom_id_3             NH1 
_pdbx_validate_rmsd_angle.auth_asym_id_3             A 
_pdbx_validate_rmsd_angle.auth_comp_id_3             ARG 
_pdbx_validate_rmsd_angle.auth_seq_id_3              52 
_pdbx_validate_rmsd_angle.PDB_ins_code_3             ? 
_pdbx_validate_rmsd_angle.label_alt_id_3             B 
_pdbx_validate_rmsd_angle.angle_value                123.31 
_pdbx_validate_rmsd_angle.angle_target_value         120.30 
_pdbx_validate_rmsd_angle.angle_deviation            3.01 
_pdbx_validate_rmsd_angle.angle_standard_deviation   0.50 
_pdbx_validate_rmsd_angle.linker_flag                N 
# 
loop_
_pdbx_validate_torsion.id 
_pdbx_validate_torsion.PDB_model_num 
_pdbx_validate_torsion.auth_comp_id 
_pdbx_validate_torsion.auth_asym_id 
_pdbx_validate_torsion.auth_seq_id 
_pdbx_validate_torsion.PDB_ins_code 
_pdbx_validate_torsion.label_alt_id 
_pdbx_validate_torsion.phi 
_pdbx_validate_torsion.psi 
1 1 VAL A 42  ? ? -122.37 -63.23 
2 1 ASP A 122 ? ? -115.78 79.41  
# 
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 CD  207 ? H CD  . 
5 1 A HOH 444 ? M HOH . 
6 1 A HOH 492 ? M HOH . 
7 1 A HOH 511 ? M 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 509 ? 6.07 . 
2 1 O ? A HOH 510 ? 6.32 . 
3 1 O ? A HOH 511 ? 6.65 . 
4 1 O ? A HOH 512 ? 6.76 . 
# 
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                    9KKR 
_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]   0.005512 
_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]   0.005512 
_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]   0.005512 
_atom_sites.fract_transf_vector[1]      0.00000 
_atom_sites.fract_transf_vector[2]      0.00000 
_atom_sites.fract_transf_vector[3]      0.00000 
_atom_sites.solution_primary            ? 
_atom_sites.solution_secondary          ? 
_atom_sites.solution_hydrogens          ? 
_atom_sites.special_details             ? 
# 
loop_
_atom_type.symbol 
_atom_type.pdbx_scat_Z 
_atom_type.pdbx_N_electrons 
_atom_type.scat_Cromer_Mann_a1 
_atom_type.scat_Cromer_Mann_b1 
_atom_type.scat_Cromer_Mann_a2 
_atom_type.scat_Cromer_Mann_b2 
_atom_type.scat_Cromer_Mann_a3 
_atom_type.scat_Cromer_Mann_b3 
_atom_type.scat_Cromer_Mann_a4 
_atom_type.scat_Cromer_Mann_b4 
_atom_type.scat_Cromer_Mann_c 
C  6  6  2.3103  20.8439 1.0201  10.2075 1.5888 0.5687  0.8651 51.6512 0.2156   
CD 48 48 19.2218 0.5946  17.6447 6.9089  4.4611 24.7008 1.6029 87.4825 4.9843   
CL 17 17 11.4601 0.0104  7.1962  1.1662  6.2554 18.5194 1.6455 47.7784 -9.2115  
H  1  1  0.4930  10.5109 0.3229  26.1257 0.1402 3.1424  0.0408 57.7997 0.0030   
N  7  7  12.2220 0.0057  3.1346  9.8933  2.0141 28.9975 1.1672 0.5826  -11.5379 
O  8  8  3.0487  13.2771 2.2870  5.7011  1.5464 0.3239  0.8671 32.9089 0.2508   
S  16 16 6.9054  1.4679  5.2035  22.2151 1.4379 0.2536  1.5863 56.1720 1.1842   
# 
loop_
_atom_site.group_PDB 
_atom_site.id 
_atom_site.type_symbol 
_atom_site.label_atom_id 
_atom_site.label_alt_id 
_atom_site.label_comp_id 
_atom_site.label_asym_id 
_atom_site.label_entity_id 
_atom_site.label_seq_id 
_atom_site.pdbx_PDB_ins_code 
_atom_site.Cartn_x 
_atom_site.Cartn_y 
_atom_site.Cartn_z 
_atom_site.occupancy 
_atom_site.B_iso_or_equiv 
_atom_site.pdbx_formal_charge 
_atom_site.auth_seq_id 
_atom_site.auth_comp_id 
_atom_site.auth_asym_id 
_atom_site.auth_atom_id 
_atom_site.pdbx_PDB_model_num 
_atom_site.calc_flag 
ATOM   1    N  N   . SER A 1 1   ? 57.194 18.184  22.174 1.00 49.15 ? 1   SER A N   1 ? 
ATOM   2    C  CA  . SER A 1 1   ? 55.937 18.622  22.834 1.00 47.31 ? 1   SER A CA  1 ? 
ATOM   3    C  C   . SER A 1 1   ? 54.758 18.308  21.919 1.00 43.46 ? 1   SER A C   1 ? 
ATOM   4    O  O   . SER A 1 1   ? 54.936 17.764  20.828 1.00 48.24 ? 1   SER A O   1 ? 
ATOM   5    N  N   . SER A 1 2   ? 53.566 18.723  22.342 1.00 34.47 ? 2   SER A N   1 ? 
ATOM   6    C  CA  . SER A 1 2   ? 52.344 18.442  21.594 1.00 28.19 ? 2   SER A CA  1 ? 
ATOM   7    C  C   . SER A 1 2   ? 52.164 19.433  20.437 1.00 26.53 ? 2   SER A C   1 ? 
ATOM   8    O  O   . SER A 1 2   ? 52.194 20.660  20.582 1.00 25.23 ? 2   SER A O   1 ? 
ATOM   9    C  CB  . SER A 1 2   ? 51.105 18.423  22.493 1.00 26.36 ? 2   SER A CB  1 ? 
ATOM   10   O  OG  . SER A 1 2   ? 49.870 18.306  21.780 1.00 18.32 ? 2   SER A OG  1 ? 
ATOM   11   N  N   . GLN A 1 3   ? 51.771 18.861  19.316 1.00 19.22 ? 3   GLN A N   1 ? 
ATOM   12   C  CA  . GLN A 1 3   ? 51.462 19.602  18.114 1.00 18.12 ? 3   GLN A CA  1 ? 
ATOM   13   C  C   . GLN A 1 3   ? 50.090 20.259  18.136 1.00 17.49 ? 3   GLN A C   1 ? 
ATOM   14   O  O   . GLN A 1 3   ? 49.859 21.118  17.296 1.00 16.94 ? 3   GLN A O   1 ? 
ATOM   15   C  CB  . GLN A 1 3   ? 51.514 18.664  16.899 1.00 20.25 ? 3   GLN A CB  1 ? 
ATOM   16   C  CG  . GLN A 1 3   ? 50.300 17.785  16.664 1.00 28.69 ? 3   GLN A CG  1 ? 
ATOM   17   C  CD  . GLN A 1 3   ? 50.585 16.666  15.676 1.00 29.96 ? 3   GLN A CD  1 ? 
ATOM   18   O  OE1 . GLN A 1 3   ? 51.464 16.812  14.807 1.00 36.93 ? 3   GLN A OE1 1 ? 
ATOM   19   N  NE2 . GLN A 1 3   ? 49.868 15.548  15.814 1.00 16.08 ? 3   GLN A NE2 1 ? 
ATOM   20   N  N   . ILE A 1 4   ? 49.166 19.853  19.020 1.00 13.90 ? 4   ILE A N   1 ? 
ATOM   21   C  CA  . ILE A 1 4   ? 47.829 20.456  19.037 1.00 11.30 ? 4   ILE A CA  1 ? 
ATOM   22   C  C   . ILE A 1 4   ? 47.580 21.288  20.292 1.00 11.12 ? 4   ILE A C   1 ? 
ATOM   23   O  O   . ILE A 1 4   ? 46.641 22.097  20.322 1.00 11.62 ? 4   ILE A O   1 ? 
ATOM   24   C  CB  . ILE A 1 4   ? 46.692 19.420  18.929 1.00 11.45 ? 4   ILE A CB  1 ? 
ATOM   25   C  CG1 . ILE A 1 4   ? 46.607 18.489  20.156 1.00 11.29 ? 4   ILE A CG1 1 ? 
ATOM   26   C  CG2 . ILE A 1 4   ? 46.799 18.632  17.631 1.00 12.65 ? 4   ILE A CG2 1 ? 
ATOM   27   C  CD1 . ILE A 1 4   ? 45.390 17.584  20.122 1.00 12.07 ? 4   ILE A CD1 1 ? 
ATOM   28   N  N   . ARG A 1 5   ? 48.314 21.021  21.370 1.00 10.82 ? 5   ARG A N   1 ? 
ATOM   29   C  CA  . ARG A 1 5   ? 47.979 21.575  22.673 1.00 10.32 ? 5   ARG A CA  1 ? 
ATOM   30   C  C   . ARG A 1 5   ? 48.085 23.092  22.606 1.00 10.93 ? 5   ARG A C   1 ? 
ATOM   31   O  O   . ARG A 1 5   ? 49.088 23.612  22.140 1.00 12.48 ? 5   ARG A O   1 ? 
ATOM   32   C  CB  . ARG A 1 5   ? 48.934 21.065  23.726 1.00 11.57 ? 5   ARG A CB  1 ? 
ATOM   33   C  CG  . ARG A 1 5   ? 48.596 21.350  25.170 1.00 12.89 ? 5   ARG A CG  1 ? 
ATOM   34   C  CD  . ARG A 1 5   ? 49.650 20.733  26.083 1.00 14.87 ? 5   ARG A CD  1 ? 
ATOM   35   N  NE  . ARG A 1 5   ? 49.155 20.878  27.455 1.00 14.04 ? 5   ARG A NE  1 ? 
ATOM   36   C  CZ  . ARG A 1 5   ? 49.303 19.975  28.391 1.00 13.42 ? 5   ARG A CZ  1 ? 
ATOM   37   N  NH1 . ARG A 1 5   ? 49.980 18.856  28.147 1.00 13.73 ? 5   ARG A NH1 1 ? 
ATOM   38   N  NH2 . ARG A 1 5   ? 48.854 20.257  29.614 1.00 12.72 ? 5   ARG A NH2 1 ? 
ATOM   39   N  N   . GLN A 1 6   ? 47.071 23.780  23.145 1.00 9.63  ? 6   GLN A N   1 ? 
ATOM   40   C  CA  . GLN A 1 6   ? 47.038 25.246  23.151 1.00 9.70  ? 6   GLN A CA  1 ? 
ATOM   41   C  C   . GLN A 1 6   ? 46.141 25.714  24.284 1.00 9.72  ? 6   GLN A C   1 ? 
ATOM   42   O  O   . GLN A 1 6   ? 44.976 25.325  24.368 1.00 9.25  ? 6   GLN A O   1 ? 
ATOM   43   C  CB  . GLN A 1 6   ? 46.508 25.757  21.814 1.00 9.68  ? 6   GLN A CB  1 ? 
ATOM   44   C  CG  . GLN A 1 6   ? 46.632 27.263  21.594 1.00 10.56 ? 6   GLN A CG  1 ? 
ATOM   45   C  CD  . GLN A 1 6   ? 46.250 27.661  20.173 1.00 11.60 ? 6   GLN A CD  1 ? 
ATOM   46   O  OE1 . GLN A 1 6   ? 45.465 27.021  19.464 1.00 12.34 ? 6   GLN A OE1 1 ? 
ATOM   47   N  NE2 . GLN A 1 6   ? 46.795 28.792  19.754 1.00 11.57 ? 6   GLN A NE2 1 ? 
ATOM   48   N  N   . ASN A 1 7   ? 46.684 26.576  25.135 1.00 9.70  ? 7   ASN A N   1 ? 
ATOM   49   C  CA  . ASN A 1 7   ? 45.949 27.102  26.280 1.00 9.19  ? 7   ASN A CA  1 ? 
ATOM   50   C  C   . ASN A 1 7   ? 45.471 26.030  27.260 1.00 9.68  ? 7   ASN A C   1 ? 
ATOM   51   O  O   . ASN A 1 7   ? 44.410 26.203  27.878 1.00 9.24  ? 7   ASN A O   1 ? 
ATOM   52   C  CB  . ASN A 1 7   ? 44.761 27.959  25.841 1.00 9.68  ? 7   ASN A CB  1 ? 
ATOM   53   C  CG  . ASN A 1 7   ? 44.253 28.837  26.950 1.00 9.32  ? 7   ASN A CG  1 ? 
ATOM   54   O  OD1 . ASN A 1 7   ? 45.050 29.404  27.710 1.00 11.46 ? 7   ASN A OD1 1 ? 
ATOM   55   N  ND2 . ASN A 1 7   ? 42.945 28.983  27.055 1.00 9.75  ? 7   ASN A ND2 1 ? 
ATOM   56   N  N   . TYR A 1 8   ? 46.217 24.919  27.350 1.00 9.38  ? 8   TYR A N   1 ? 
ATOM   57   C  CA  . TYR A 1 8   ? 45.826 23.803  28.201 1.00 10.43 ? 8   TYR A CA  1 ? 
ATOM   58   C  C   . TYR A 1 8   ? 46.892 23.593  29.268 1.00 10.24 ? 8   TYR A C   1 ? 
ATOM   59   O  O   . TYR A 1 8   ? 47.953 23.022  28.985 1.00 11.62 ? 8   TYR A O   1 ? 
ATOM   60   C  CB  . TYR A 1 8   ? 45.619 22.552  27.356 1.00 10.65 ? 8   TYR A CB  1 ? 
ATOM   61   C  CG  . TYR A 1 8   ? 44.870 21.434  28.086 1.00 10.10 ? 8   TYR A CG  1 ? 
ATOM   62   C  CD1 . TYR A 1 8   ? 43.618 21.668  28.616 1.00 10.60 ? 8   TYR A CD1 1 ? 
ATOM   63   C  CD2 . TYR A 1 8   ? 45.392 20.159  28.204 1.00 10.18 ? 8   TYR A CD2 1 ? 
ATOM   64   C  CE1 . TYR A 1 8   ? 42.880 20.661  29.213 1.00 10.16 ? 8   TYR A CE1 1 ? 
ATOM   65   C  CE2 . TYR A 1 8   ? 44.692 19.155  28.859 1.00 9.03  ? 8   TYR A CE2 1 ? 
ATOM   66   C  CZ  . TYR A 1 8   ? 43.429 19.397  29.351 1.00 9.78  ? 8   TYR A CZ  1 ? 
ATOM   67   O  OH  . TYR A 1 8   ? 42.688 18.422  29.959 1.00 11.00 ? 8   TYR A OH  1 ? 
ATOM   68   N  N   . SER A 1 9   ? 46.639 24.052  30.475 1.00 10.46 ? 9   SER A N   1 ? 
ATOM   69   C  CA  . SER A 1 9   ? 47.646 23.996  31.524 1.00 10.98 ? 9   SER A CA  1 ? 
ATOM   70   C  C   . SER A 1 9   ? 47.944 22.573  31.993 1.00 10.69 ? 9   SER A C   1 ? 
ATOM   71   O  O   . SER A 1 9   ? 47.095 21.683  31.970 1.00 10.59 ? 9   SER A O   1 ? 
ATOM   72   C  CB  . SER A 1 9   ? 47.242 24.867  32.692 1.00 11.13 ? 9   SER A CB  1 ? 
ATOM   73   O  OG  . SER A 1 9   ? 46.075 24.366  33.321 1.00 13.19 ? 9   SER A OG  1 ? 
ATOM   74   N  N   . THR A 1 10  ? 49.126 22.395  32.586 1.00 12.30 ? 10  THR A N   1 ? 
ATOM   75   C  CA  . THR A 1 10  ? 49.454 21.143  33.248 1.00 12.65 ? 10  THR A CA  1 ? 
ATOM   76   C  C   . THR A 1 10  ? 48.531 20.954  34.459 1.00 10.70 ? 10  THR A C   1 ? 
ATOM   77   O  O   . THR A 1 10  ? 48.214 19.809  34.752 1.00 10.94 ? 10  THR A O   1 ? 
ATOM   78   C  CB  . THR A 1 10  ? 50.932 21.132  33.642 1.00 15.91 ? 10  THR A CB  1 ? 
ATOM   79   O  OG1 . THR A 1 10  ? 51.186 22.226  34.488 1.00 19.09 ? 10  THR A OG1 1 ? 
ATOM   80   C  CG2 . THR A 1 10  ? 51.852 21.313  32.455 1.00 17.50 ? 10  THR A CG2 1 ? 
ATOM   81   N  N   . GLU A 1 11  ? 48.118 22.034  35.136 1.00 11.71 ? 11  GLU A N   1 ? 
ATOM   82   C  CA  . GLU A 1 11  ? 47.275 21.929  36.314 1.00 10.94 ? 11  GLU A CA  1 ? 
ATOM   83   C  C   . GLU A 1 11  ? 45.927 21.311  35.916 1.00 9.83  ? 11  GLU A C   1 ? 
ATOM   84   O  O   . GLU A 1 11  ? 45.426 20.422  36.597 1.00 10.62 ? 11  GLU A O   1 ? 
ATOM   85   C  CB  . GLU A 1 11  ? 47.096 23.285  36.984 1.00 13.18 ? 11  GLU A CB  1 ? 
ATOM   86   C  CG  . GLU A 1 11  ? 48.343 23.835  37.670 1.00 14.52 ? 11  GLU A CG  1 ? 
ATOM   87   C  CD  . GLU A 1 11  ? 49.267 24.573  36.713 1.00 16.90 ? 11  GLU A CD  1 ? 
ATOM   88   O  OE1 . GLU A 1 11  ? 49.042 24.735  35.498 1.00 14.78 ? 11  GLU A OE1 1 ? 
ATOM   89   O  OE2 . GLU A 1 11  ? 50.353 25.005  37.210 1.00 20.51 ? 11  GLU A OE2 1 ? 
ATOM   90   N  N   . VAL A 1 12  ? 45.351 21.808  34.822 1.00 9.70  ? 12  VAL A N   1 ? 
ATOM   91   C  CA  . VAL A 1 12  ? 44.061 21.304  34.341 1.00 9.03  ? 12  VAL A CA  1 ? 
ATOM   92   C  C   . VAL A 1 12  ? 44.240 19.852  33.891 1.00 9.58  ? 12  VAL A C   1 ? 
ATOM   93   O  O   . VAL A 1 12  ? 43.406 19.002  34.214 1.00 9.58  ? 12  VAL A O   1 ? 
ATOM   94   C  CB  . VAL A 1 12  ? 43.428 22.207  33.263 1.00 9.97  ? 12  VAL A CB  1 ? 
ATOM   95   C  CG1 . VAL A 1 12  ? 42.286 21.507  32.532 1.00 10.73 ? 12  VAL A CG1 1 ? 
ATOM   96   C  CG2 . VAL A 1 12  ? 42.880 23.478  33.905 1.00 9.95  ? 12  VAL A CG2 1 ? 
ATOM   97   N  N   . GLU A 1 13  ? 45.302 19.582  33.113 1.00 8.91  ? 13  GLU A N   1 ? 
ATOM   98   C  CA  . GLU A 1 13  ? 45.528 18.217  32.633 1.00 9.20  ? 13  GLU A CA  1 ? 
ATOM   99   C  C   . GLU A 1 13  ? 45.528 17.219  33.810 1.00 9.57  ? 13  GLU A C   1 ? 
ATOM   100  O  O   . GLU A 1 13  ? 44.898 16.150  33.738 1.00 9.31  ? 13  GLU A O   1 ? 
ATOM   101  C  CB  . GLU A 1 13  ? 46.875 18.213  31.896 1.00 10.18 ? 13  GLU A CB  1 ? 
ATOM   102  C  CG  . GLU A 1 13  ? 47.279 16.821  31.430 1.00 10.91 ? 13  GLU A CG  1 ? 
ATOM   103  C  CD  . GLU A 1 13  ? 48.641 16.776  30.739 1.00 12.87 ? 13  GLU A CD  1 ? 
ATOM   104  O  OE1 . GLU A 1 13  ? 49.402 17.759  30.958 1.00 15.13 ? 13  GLU A OE1 1 ? 
ATOM   105  O  OE2 . GLU A 1 13  ? 49.029 15.815  30.030 1.00 13.95 ? 13  GLU A OE2 1 ? 
ATOM   106  N  N   . ALA A 1 14  ? 46.258 17.569  34.885 1.00 9.45  ? 14  ALA A N   1 ? 
ATOM   107  C  CA  . ALA A 1 14  ? 46.357 16.675  36.038 1.00 9.52  ? 14  ALA A CA  1 ? 
ATOM   108  C  C   . ALA A 1 14  ? 45.022 16.545  36.773 1.00 8.90  ? 14  ALA A C   1 ? 
ATOM   109  O  O   . ALA A 1 14  ? 44.625 15.438  37.177 1.00 9.33  ? 14  ALA A O   1 ? 
ATOM   110  C  CB  . ALA A 1 14  ? 47.431 17.145  36.977 1.00 9.60  ? 14  ALA A CB  1 ? 
ATOM   111  N  N   . ALA A 1 15  ? 44.315 17.673  36.894 1.00 9.35  ? 15  ALA A N   1 ? 
ATOM   112  C  CA  . ALA A 1 15  ? 43.041 17.657  37.580 1.00 9.06  ? 15  ALA A CA  1 ? 
ATOM   113  C  C   . ALA A 1 15  ? 42.011 16.832  36.806 1.00 8.88  ? 15  ALA A C   1 ? 
ATOM   114  O  O   . ALA A 1 15  ? 41.159 16.201  37.419 1.00 9.03  ? 15  ALA A O   1 ? 
ATOM   115  C  CB  . ALA A 1 15  ? 42.541 19.060  37.808 1.00 10.05 ? 15  ALA A CB  1 ? 
ATOM   116  N  N   . VAL A 1 16  ? 42.078 16.862  35.472 1.00 8.07  ? 16  VAL A N   1 ? 
ATOM   117  C  CA  . VAL A 1 16  ? 41.187 16.036  34.665 1.00 8.71  ? 16  VAL A CA  1 ? 
ATOM   118  C  C   . VAL A 1 16  ? 41.476 14.555  34.911 1.00 8.20  ? 16  VAL A C   1 ? 
ATOM   119  O  O   . VAL A 1 16  ? 40.528 13.772  35.065 1.00 9.02  ? 16  VAL A O   1 ? 
ATOM   120  C  CB  . VAL A 1 16  ? 41.319 16.418  33.189 1.00 9.70  ? 16  VAL A CB  1 ? 
ATOM   121  C  CG1 . VAL A 1 16  ? 40.696 15.389  32.273 1.00 10.24 ? 16  VAL A CG1 1 ? 
ATOM   122  C  CG2 . VAL A 1 16  ? 40.694 17.792  32.921 1.00 9.77  ? 16  VAL A CG2 1 ? 
ATOM   123  N  N   . ASN A 1 17  ? 42.761 14.169  34.954 1.00 8.43  ? 17  ASN A N   1 ? 
ATOM   124  C  CA  . ASN A 1 17  ? 43.092 12.783  35.239 1.00 8.35  ? 17  ASN A CA  1 ? 
ATOM   125  C  C   . ASN A 1 17  ? 42.559 12.368  36.623 1.00 8.32  ? 17  ASN A C   1 ? 
ATOM   126  O  O   . ASN A 1 17  ? 42.038 11.268  36.812 1.00 8.66  ? 17  ASN A O   1 ? 
ATOM   127  C  CB  . ASN A 1 17  ? 44.576 12.480  35.113 1.00 8.93  ? 17  ASN A CB  1 ? 
ATOM   128  C  CG  . ASN A 1 17  ? 45.041 12.385  33.683 1.00 9.41  ? 17  ASN A CG  1 ? 
ATOM   129  O  OD1 . ASN A 1 17  ? 44.278 11.966  32.795 1.00 8.89  ? 17  ASN A OD1 1 ? 
ATOM   130  N  ND2 . ASN A 1 17  ? 46.260 12.826  33.474 1.00 10.37 ? 17  ASN A ND2 1 ? 
ATOM   131  N  N   . ARG A 1 18  ? 42.645 13.234  37.639 1.00 8.39  ? 18  ARG A N   1 ? 
ATOM   132  C  CA  . ARG A 1 18  ? 42.147 12.892  38.964 1.00 8.53  ? 18  ARG A CA  1 ? 
ATOM   133  C  C   . ARG A 1 18  ? 40.608 12.763  38.911 1.00 8.61  ? 18  ARG A C   1 ? 
ATOM   134  O  O   . ARG A 1 18  ? 40.020 11.886  39.561 1.00 8.79  ? 18  ARG A O   1 ? 
ATOM   135  C  CB  . ARG A 1 18  ? 42.580 13.986  39.945 1.00 10.93 ? 18  ARG A CB  1 ? 
ATOM   136  C  CG  . ARG A 1 18  ? 44.060 13.901  40.289 1.00 15.46 ? 18  ARG A CG  1 ? 
ATOM   137  C  CD  . ARG A 1 18  ? 44.492 14.676  41.522 1.00 19.07 ? 18  ARG A CD  1 ? 
ATOM   138  N  NE  . ARG A 1 18  ? 44.308 16.116  41.346 1.00 21.30 ? 18  ARG A NE  1 ? 
ATOM   139  C  CZ  . ARG A 1 18  ? 45.203 16.920  40.756 1.00 20.17 ? 18  ARG A CZ  1 ? 
ATOM   140  N  NH1 . ARG A 1 18  ? 46.395 16.449  40.419 1.00 23.06 ? 18  ARG A NH1 1 ? 
ATOM   141  N  NH2 . ARG A 1 18  ? 44.883 18.153  40.594 1.00 18.42 ? 18  ARG A NH2 1 ? 
ATOM   142  N  N   . LEU A 1 19  ? 39.961 13.655  38.148 1.00 7.14  ? 19  LEU A N   1 ? 
ATOM   143  C  CA  . LEU A 1 19  ? 38.500 13.600  38.043 1.00 7.66  ? 19  LEU A CA  1 ? 
ATOM   144  C  C   . LEU A 1 19  ? 38.046 12.306  37.372 1.00 7.93  ? 19  LEU A C   1 ? 
ATOM   145  O  O   . LEU A 1 19  ? 37.003 11.748  37.760 1.00 8.59  ? 19  LEU A O   1 ? 
ATOM   146  C  CB  . LEU A 1 19  ? 37.961 14.813  37.280 1.00 8.77  ? 19  LEU A CB  1 ? 
ATOM   147  C  CG  . LEU A 1 19  ? 36.443 15.029  37.328 1.00 9.35  ? 19  LEU A CG  1 ? 
ATOM   148  C  CD1 . LEU A 1 19  ? 35.960 15.174  38.724 1.00 10.04 ? 19  LEU A CD1 1 ? 
ATOM   149  C  CD2 . LEU A 1 19  ? 36.029 16.233  36.532 1.00 10.43 ? 19  LEU A CD2 1 ? 
ATOM   150  N  N   . VAL A 1 20  ? 38.793 11.844  36.364 1.00 7.62  ? 20  VAL A N   1 ? 
ATOM   151  C  CA  . VAL A 1 20  ? 38.504 10.547  35.768 1.00 7.74  ? 20  VAL A CA  1 ? 
ATOM   152  C  C   . VAL A 1 20  ? 38.542 9.453   36.834 1.00 8.12  ? 20  VAL A C   1 ? 
ATOM   153  O  O   . VAL A 1 20  ? 37.657 8.609   36.870 1.00 7.95  ? 20  VAL A O   1 ? 
ATOM   154  C  CB  . VAL A 1 20  ? 39.458 10.274  34.598 1.00 7.52  ? 20  VAL A CB  1 ? 
ATOM   155  C  CG1 . VAL A 1 20  ? 39.425 8.795   34.161 1.00 7.50  ? 20  VAL A CG1 1 ? 
ATOM   156  C  CG2 . VAL A 1 20  ? 39.144 11.174  33.436 1.00 8.13  ? 20  VAL A CG2 1 ? 
ATOM   157  N  N   . ASN A 1 21  ? 39.556 9.460   37.700 1.00 8.27  ? 21  ASN A N   1 ? 
ATOM   158  C  CA  . ASN A 1 21  ? 39.653 8.460   38.750 1.00 7.89  ? 21  ASN A CA  1 ? 
ATOM   159  C  C   . ASN A 1 21  ? 38.408 8.555   39.651 1.00 8.74  ? 21  ASN A C   1 ? 
ATOM   160  O  O   . ASN A 1 21  ? 37.852 7.547   40.071 1.00 9.05  ? 21  ASN A O   1 ? 
ATOM   161  C  CB  . ASN A 1 21  ? 40.945 8.605   39.545 1.00 8.49  ? 21  ASN A CB  1 ? 
ATOM   162  C  CG  . ASN A 1 21  ? 41.230 7.426   40.437 1.00 8.40  ? 21  ASN A CG  1 ? 
ATOM   163  O  OD1 . ASN A 1 21  ? 40.871 7.437   41.625 1.00 9.52  ? 21  ASN A OD1 1 ? 
ATOM   164  N  ND2 . ASN A 1 21  ? 41.915 6.432   39.904 1.00 8.42  ? 21  ASN A ND2 1 ? 
ATOM   165  N  N   . LEU A 1 22  ? 37.979 9.764   40.011 1.00 8.30  ? 22  LEU A N   1 ? 
ATOM   166  C  CA  A LEU A 1 22  ? 36.809 9.945   40.870 0.52 8.89  ? 22  LEU A CA  1 ? 
ATOM   167  C  CA  B LEU A 1 22  ? 36.831 9.914   40.890 0.48 8.99  ? 22  LEU A CA  1 ? 
ATOM   168  C  C   . LEU A 1 22  ? 35.553 9.377   40.223 1.00 8.40  ? 22  LEU A C   1 ? 
ATOM   169  O  O   . LEU A 1 22  ? 34.727 8.744   40.892 1.00 8.63  ? 22  LEU A O   1 ? 
ATOM   170  C  CB  A LEU A 1 22  ? 36.550 11.417  41.189 0.52 9.16  ? 22  LEU A CB  1 ? 
ATOM   171  C  CB  B LEU A 1 22  ? 36.776 11.402  41.247 0.48 9.50  ? 22  LEU A CB  1 ? 
ATOM   172  C  CG  A LEU A 1 22  ? 37.562 12.068  42.121 0.52 9.49  ? 22  LEU A CG  1 ? 
ATOM   173  C  CG  B LEU A 1 22  ? 35.980 11.775  42.496 0.48 9.95  ? 22  LEU A CG  1 ? 
ATOM   174  C  CD1 A LEU A 1 22  ? 37.222 13.518  42.373 0.52 10.14 ? 22  LEU A CD1 1 ? 
ATOM   175  C  CD1 B LEU A 1 22  ? 36.537 11.318  43.832 0.48 10.02 ? 22  LEU A CD1 1 ? 
ATOM   176  C  CD2 A LEU A 1 22  ? 37.666 11.324  43.448 0.52 9.38  ? 22  LEU A CD2 1 ? 
ATOM   177  C  CD2 B LEU A 1 22  ? 35.785 13.289  42.444 0.48 10.35 ? 22  LEU A CD2 1 ? 
ATOM   178  N  N   . TYR A 1 23  ? 35.362 9.650   38.923 1.00 8.63  ? 23  TYR A N   1 ? 
ATOM   179  C  CA  . TYR A 1 23  ? 34.171 9.146   38.245 1.00 7.85  ? 23  TYR A CA  1 ? 
ATOM   180  C  C   . TYR A 1 23  ? 34.211 7.627   38.100 1.00 8.42  ? 23  TYR A C   1 ? 
ATOM   181  O  O   . TYR A 1 23  ? 33.191 6.979   38.192 1.00 8.89  ? 23  TYR A O   1 ? 
ATOM   182  C  CB  . TYR A 1 23  ? 33.996 9.765   36.841 1.00 7.99  ? 23  TYR A CB  1 ? 
ATOM   183  C  CG  . TYR A 1 23  ? 33.173 11.040  36.871 1.00 8.85  ? 23  TYR A CG  1 ? 
ATOM   184  C  CD1 . TYR A 1 23  ? 33.636 12.221  37.454 1.00 10.76 ? 23  TYR A CD1 1 ? 
ATOM   185  C  CD2 . TYR A 1 23  ? 31.877 11.040  36.359 1.00 9.24  ? 23  TYR A CD2 1 ? 
ATOM   186  C  CE1 . TYR A 1 23  ? 32.834 13.345  37.556 1.00 11.63 ? 23  TYR A CE1 1 ? 
ATOM   187  C  CE2 . TYR A 1 23  ? 31.074 12.166  36.468 1.00 10.56 ? 23  TYR A CE2 1 ? 
ATOM   188  C  CZ  . TYR A 1 23  ? 31.525 13.298  37.106 1.00 12.88 ? 23  TYR A CZ  1 ? 
ATOM   189  O  OH  . TYR A 1 23  ? 30.756 14.443  37.233 1.00 14.56 ? 23  TYR A OH  1 ? 
ATOM   190  N  N   . LEU A 1 24  ? 35.385 7.036   37.823 1.00 8.41  ? 24  LEU A N   1 ? 
ATOM   191  C  CA  . LEU A 1 24  ? 35.475 5.591   37.735 1.00 8.61  ? 24  LEU A CA  1 ? 
ATOM   192  C  C   . LEU A 1 24  ? 35.246 4.993   39.135 1.00 9.27  ? 24  LEU A C   1 ? 
ATOM   193  O  O   . LEU A 1 24  ? 34.625 3.924   39.261 1.00 9.39  ? 24  LEU A O   1 ? 
ATOM   194  C  CB  . LEU A 1 24  ? 36.813 5.138   37.148 1.00 9.46  ? 24  LEU A CB  1 ? 
ATOM   195  C  CG  . LEU A 1 24  ? 37.025 5.472   35.669 1.00 10.27 ? 24  LEU A CG  1 ? 
ATOM   196  C  CD1 . LEU A 1 24  ? 38.425 5.109   35.241 1.00 11.76 ? 24  LEU A CD1 1 ? 
ATOM   197  C  CD2 . LEU A 1 24  ? 35.991 4.774   34.814 1.00 11.40 ? 24  LEU A CD2 1 ? 
ATOM   198  N  N   . ARG A 1 25  ? 35.741 5.638   40.189 1.00 8.15  ? 25  ARG A N   1 ? 
ATOM   199  C  CA  . ARG A 1 25  ? 35.462 5.164   41.547 1.00 9.09  ? 25  ARG A CA  1 ? 
ATOM   200  C  C   . ARG A 1 25  ? 33.956 5.134   41.797 1.00 9.42  ? 25  ARG A C   1 ? 
ATOM   201  O  O   . ARG A 1 25  ? 33.407 4.195   42.394 1.00 8.78  ? 25  ARG A O   1 ? 
ATOM   202  C  CB  . ARG A 1 25  ? 36.113 6.080   42.581 1.00 9.74  ? 25  ARG A CB  1 ? 
ATOM   203  C  CG  . ARG A 1 25  ? 37.580 5.831   42.872 1.00 11.94 ? 25  ARG A CG  1 ? 
ATOM   204  C  CD  . ARG A 1 25  ? 38.195 6.878   43.777 1.00 13.25 ? 25  ARG A CD  1 ? 
ATOM   205  N  NE  . ARG A 1 25  ? 37.478 7.007   45.042 1.00 14.21 ? 25  ARG A NE  1 ? 
ATOM   206  C  CZ  . ARG A 1 25  ? 37.700 7.969   45.956 1.00 15.59 ? 25  ARG A CZ  1 ? 
ATOM   207  N  NH1 . ARG A 1 25  ? 38.597 8.896   45.708 1.00 15.89 ? 25  ARG A NH1 1 ? 
ATOM   208  N  NH2 . ARG A 1 25  ? 37.027 7.936   47.109 1.00 15.79 ? 25  ARG A NH2 1 ? 
ATOM   209  N  N   . ALA A 1 26  ? 33.261 6.211   41.367 1.00 8.25  ? 26  ALA A N   1 ? 
ATOM   210  C  CA  . ALA A 1 26  ? 31.816 6.366   41.533 1.00 8.74  ? 26  ALA A CA  1 ? 
ATOM   211  C  C   . ALA A 1 26  ? 31.088 5.274   40.739 1.00 8.86  ? 26  ALA A C   1 ? 
ATOM   212  O  O   . ALA A 1 26  ? 30.166 4.643   41.239 1.00 8.62  ? 26  ALA A O   1 ? 
ATOM   213  C  CB  . ALA A 1 26  ? 31.408 7.758   41.091 1.00 9.07  ? 26  ALA A CB  1 ? 
ATOM   214  N  N   . SER A 1 27  ? 31.533 5.026   39.529 1.00 8.37  ? 27  SER A N   1 ? 
ATOM   215  C  CA  . SER A 1 27  ? 30.975 3.979   38.684 1.00 8.37  ? 27  SER A CA  1 ? 
ATOM   216  C  C   . SER A 1 27  ? 31.063 2.625   39.377 1.00 9.64  ? 27  SER A C   1 ? 
ATOM   217  O  O   . SER A 1 27  ? 30.109 1.831   39.454 1.00 9.03  ? 27  SER A O   1 ? 
ATOM   218  C  CB  . SER A 1 27  ? 31.668 3.980   37.348 1.00 9.88  ? 27  SER A CB  1 ? 
ATOM   219  O  OG  . SER A 1 27  ? 31.109 3.025   36.493 1.00 10.84 ? 27  SER A OG  1 ? 
ATOM   220  N  N   . TYR A 1 28  ? 32.237 2.342   39.930 1.00 8.13  ? 28  TYR A N   1 ? 
ATOM   221  C  CA  . TYR A 1 28  ? 32.444 1.072   40.647 1.00 7.74  ? 28  TYR A CA  1 ? 
ATOM   222  C  C   . TYR A 1 28  ? 31.577 0.970   41.901 1.00 7.92  ? 28  TYR A C   1 ? 
ATOM   223  O  O   . TYR A 1 28  ? 31.052 -0.120  42.186 1.00 8.30  ? 28  TYR A O   1 ? 
ATOM   224  C  CB  . TYR A 1 28  ? 33.919 1.035   41.038 1.00 8.19  ? 28  TYR A CB  1 ? 
ATOM   225  C  CG  . TYR A 1 28  ? 34.567 -0.281  41.395 1.00 7.82  ? 28  TYR A CG  1 ? 
ATOM   226  C  CD1 . TYR A 1 28  ? 34.067 -1.497  40.981 1.00 9.90  ? 28  TYR A CD1 1 ? 
ATOM   227  C  CD2 . TYR A 1 28  ? 35.756 -0.307  42.089 1.00 8.56  ? 28  TYR A CD2 1 ? 
ATOM   228  C  CE1 . TYR A 1 28  ? 34.717 -2.702  41.259 1.00 9.30  ? 28  TYR A CE1 1 ? 
ATOM   229  C  CE2 . TYR A 1 28  ? 36.398 -1.503  42.402 1.00 9.51  ? 28  TYR A CE2 1 ? 
ATOM   230  C  CZ  . TYR A 1 28  ? 35.904 -2.716  41.959 1.00 8.41  ? 28  TYR A CZ  1 ? 
ATOM   231  O  OH  . TYR A 1 28  ? 36.482 -3.932  42.244 1.00 9.24  ? 28  TYR A OH  1 ? 
ATOM   232  N  N   . THR A 1 29  ? 31.428 2.083   42.639 1.00 7.90  ? 29  THR A N   1 ? 
ATOM   233  C  CA  . THR A 1 29  ? 30.517 2.131   43.781 1.00 8.82  ? 29  THR A CA  1 ? 
ATOM   234  C  C   . THR A 1 29  ? 29.096 1.768   43.333 1.00 8.35  ? 29  THR A C   1 ? 
ATOM   235  O  O   . THR A 1 29  ? 28.461 0.939   43.994 1.00 8.65  ? 29  THR A O   1 ? 
ATOM   236  C  CB  . THR A 1 29  ? 30.582 3.505   44.455 1.00 9.41  ? 29  THR A CB  1 ? 
ATOM   237  O  OG1 . THR A 1 29  ? 31.920 3.659   44.968 1.00 8.94  ? 29  THR A OG1 1 ? 
ATOM   238  C  CG2 . THR A 1 29  ? 29.541 3.670   45.548 1.00 9.82  ? 29  THR A CG2 1 ? 
ATOM   239  N  N   . TYR A 1 30  ? 28.639 2.355   42.221 1.00 9.10  ? 30  TYR A N   1 ? 
ATOM   240  C  CA  . TYR A 1 30  ? 27.292 2.052   41.754 1.00 8.88  ? 30  TYR A CA  1 ? 
ATOM   241  C  C   . TYR A 1 30  ? 27.178 0.611   41.281 1.00 8.18  ? 30  TYR A C   1 ? 
ATOM   242  O  O   . TYR A 1 30  ? 26.110 0.006   41.469 1.00 8.76  ? 30  TYR A O   1 ? 
ATOM   243  C  CB  . TYR A 1 30  ? 26.829 3.062   40.708 1.00 8.76  ? 30  TYR A CB  1 ? 
ATOM   244  C  CG  . TYR A 1 30  ? 26.528 4.424   41.329 1.00 9.93  ? 30  TYR A CG  1 ? 
ATOM   245  C  CD1 . TYR A 1 30  ? 25.657 4.553   42.410 1.00 10.46 ? 30  TYR A CD1 1 ? 
ATOM   246  C  CD2 . TYR A 1 30  ? 27.069 5.589   40.800 1.00 10.51 ? 30  TYR A CD2 1 ? 
ATOM   247  C  CE1 . TYR A 1 30  ? 25.360 5.793   42.964 1.00 12.02 ? 30  TYR A CE1 1 ? 
ATOM   248  C  CE2 . TYR A 1 30  ? 26.739 6.847   41.310 1.00 10.77 ? 30  TYR A CE2 1 ? 
ATOM   249  C  CZ  . TYR A 1 30  ? 25.872 6.949   42.376 1.00 11.40 ? 30  TYR A CZ  1 ? 
ATOM   250  O  OH  . TYR A 1 30  ? 25.590 8.160   42.944 1.00 11.74 ? 30  TYR A OH  1 ? 
ATOM   251  N  N   . LEU A 1 31  ? 28.226 0.035   40.702 1.00 8.04  ? 31  LEU A N   1 ? 
ATOM   252  C  CA  . LEU A 1 31  ? 28.177 -1.363  40.301 1.00 8.68  ? 31  LEU A CA  1 ? 
ATOM   253  C  C   . LEU A 1 31  ? 27.933 -2.210  41.555 1.00 8.41  ? 31  LEU A C   1 ? 
ATOM   254  O  O   . LEU A 1 31  ? 27.112 -3.154  41.523 1.00 8.79  ? 31  LEU A O   1 ? 
ATOM   255  C  CB  . LEU A 1 31  ? 29.495 -1.740  39.637 1.00 9.37  ? 31  LEU A CB  1 ? 
ATOM   256  C  CG  . LEU A 1 31  ? 29.588 -3.159  39.079 1.00 11.19 ? 31  LEU A CG  1 ? 
ATOM   257  C  CD1 . LEU A 1 31  ? 28.724 -3.323  37.885 1.00 11.67 ? 31  LEU A CD1 1 ? 
ATOM   258  C  CD2 . LEU A 1 31  ? 31.041 -3.466  38.715 1.00 11.55 ? 31  LEU A CD2 1 ? 
ATOM   259  N  N   . SER A 1 32  ? 28.659 -1.932  42.636 1.00 8.63  ? 32  SER A N   1 ? 
ATOM   260  C  CA  . SER A 1 32  ? 28.507 -2.664  43.872 1.00 8.36  ? 32  SER A CA  1 ? 
ATOM   261  C  C   . SER A 1 32  ? 27.102 -2.475  44.464 1.00 9.13  ? 32  SER A C   1 ? 
ATOM   262  O  O   . SER A 1 32  ? 26.477 -3.442  44.909 1.00 9.37  ? 32  SER A O   1 ? 
ATOM   263  C  CB  . SER A 1 32  ? 29.589 -2.255  44.879 1.00 8.54  ? 32  SER A CB  1 ? 
ATOM   264  O  OG  . SER A 1 32  ? 29.371 -2.891  46.119 1.00 8.86  ? 32  SER A OG  1 ? 
ATOM   265  N  N   . LEU A 1 33  ? 26.604 -1.256  44.453 1.00 9.24  ? 33  LEU A N   1 ? 
ATOM   266  C  CA  . LEU A 1 33  ? 25.235 -0.991  44.938 1.00 9.60  ? 33  LEU A CA  1 ? 
ATOM   267  C  C   . LEU A 1 33  ? 24.223 -1.818  44.154 1.00 8.82  ? 33  LEU A C   1 ? 
ATOM   268  O  O   . LEU A 1 33  ? 23.357 -2.476  44.745 1.00 9.19  ? 33  LEU A O   1 ? 
ATOM   269  C  CB  . LEU A 1 33  ? 24.938 0.506   44.841 1.00 9.49  ? 33  LEU A CB  1 ? 
ATOM   270  C  CG  . LEU A 1 33  ? 25.403 1.323   46.039 1.00 9.53  ? 33  LEU A CG  1 ? 
ATOM   271  C  CD1 . LEU A 1 33  ? 25.617 2.763   45.611 1.00 10.40 ? 33  LEU A CD1 1 ? 
ATOM   272  C  CD2 . LEU A 1 33  ? 24.363 1.252   47.146 1.00 9.28  ? 33  LEU A CD2 1 ? 
ATOM   273  N  N   . GLY A 1 34  ? 24.370 -1.830  42.832 1.00 8.89  ? 34  GLY A N   1 ? 
ATOM   274  C  CA  . GLY A 1 34  ? 23.442 -2.568  41.986 1.00 9.70  ? 34  GLY A CA  1 ? 
ATOM   275  C  C   . GLY A 1 34  ? 23.442 -4.054  42.353 1.00 9.98  ? 34  GLY A C   1 ? 
ATOM   276  O  O   . GLY A 1 34  ? 22.376 -4.651  42.489 1.00 10.16 ? 34  GLY A O   1 ? 
ATOM   277  N  N   . PHE A 1 35  ? 24.621 -4.667  42.462 1.00 9.23  ? 35  PHE A N   1 ? 
ATOM   278  C  CA  . PHE A 1 35  ? 24.653 -6.089  42.725 1.00 10.05 ? 35  PHE A CA  1 ? 
ATOM   279  C  C   . PHE A 1 35  ? 24.201 -6.397  44.139 1.00 10.82 ? 35  PHE A C   1 ? 
ATOM   280  O  O   . PHE A 1 35  ? 23.684 -7.485  44.330 1.00 11.62 ? 35  PHE A O   1 ? 
ATOM   281  C  CB  . PHE A 1 35  ? 26.013 -6.702  42.403 1.00 10.60 ? 35  PHE A CB  1 ? 
ATOM   282  C  CG  . PHE A 1 35  ? 26.079 -7.016  40.922 1.00 9.68  ? 35  PHE A CG  1 ? 
ATOM   283  C  CD1 . PHE A 1 35  ? 25.405 -8.112  40.405 1.00 10.39 ? 35  PHE A CD1 1 ? 
ATOM   284  C  CD2 . PHE A 1 35  ? 26.723 -6.166  40.048 1.00 10.18 ? 35  PHE A CD2 1 ? 
ATOM   285  C  CE1 . PHE A 1 35  ? 25.392 -8.369  39.052 1.00 10.90 ? 35  PHE A CE1 1 ? 
ATOM   286  C  CE2 . PHE A 1 35  ? 26.734 -6.428  38.677 1.00 10.81 ? 35  PHE A CE2 1 ? 
ATOM   287  C  CZ  . PHE A 1 35  ? 26.069 -7.514  38.187 1.00 11.88 ? 35  PHE A CZ  1 ? 
ATOM   288  N  N   . TYR A 1 36  ? 24.335 -5.457  45.096 1.00 8.95  ? 36  TYR A N   1 ? 
ATOM   289  C  CA  . TYR A 1 36  ? 23.804 -5.715  46.412 1.00 8.37  ? 36  TYR A CA  1 ? 
ATOM   290  C  C   . TYR A 1 36  ? 22.281 -5.846  46.333 1.00 8.96  ? 36  TYR A C   1 ? 
ATOM   291  O  O   . TYR A 1 36  ? 21.733 -6.733  46.979 1.00 9.29  ? 36  TYR A O   1 ? 
ATOM   292  C  CB  . TYR A 1 36  ? 24.264 -4.609  47.347 1.00 8.12  ? 36  TYR A CB  1 ? 
ATOM   293  C  CG  . TYR A 1 36  ? 23.588 -4.559  48.706 1.00 8.85  ? 36  TYR A CG  1 ? 
ATOM   294  C  CD1 . TYR A 1 36  ? 23.956 -5.392  49.727 1.00 9.55  ? 36  TYR A CD1 1 ? 
ATOM   295  C  CD2 . TYR A 1 36  ? 22.529 -3.700  48.930 1.00 9.40  ? 36  TYR A CD2 1 ? 
ATOM   296  C  CE1 . TYR A 1 36  ? 23.309 -5.377  50.955 1.00 9.46  ? 36  TYR A CE1 1 ? 
ATOM   297  C  CE2 . TYR A 1 36  ? 21.861 -3.665  50.138 1.00 9.61  ? 36  TYR A CE2 1 ? 
ATOM   298  C  CZ  . TYR A 1 36  ? 22.246 -4.503  51.165 1.00 10.13 ? 36  TYR A CZ  1 ? 
ATOM   299  O  OH  . TYR A 1 36  ? 21.592 -4.411  52.387 1.00 11.83 ? 36  TYR A OH  1 ? 
ATOM   300  N  N   . PHE A 1 37  ? 21.624 -4.926  45.640 1.00 8.75  ? 37  PHE A N   1 ? 
ATOM   301  C  CA  . PHE A 1 37  ? 20.162 -4.948  45.607 1.00 9.25  ? 37  PHE A CA  1 ? 
ATOM   302  C  C   . PHE A 1 37  ? 19.641 -6.098  44.731 1.00 9.57  ? 37  PHE A C   1 ? 
ATOM   303  O  O   . PHE A 1 37  ? 18.446 -6.423  44.795 1.00 10.33 ? 37  PHE A O   1 ? 
ATOM   304  C  CB  . PHE A 1 37  ? 19.659 -3.558  45.187 1.00 9.69  ? 37  PHE A CB  1 ? 
ATOM   305  C  CG  . PHE A 1 37  ? 19.717 -2.578  46.338 1.00 9.23  ? 37  PHE A CG  1 ? 
ATOM   306  C  CD1 . PHE A 1 37  ? 18.753 -2.610  47.322 1.00 8.94  ? 37  PHE A CD1 1 ? 
ATOM   307  C  CD2 . PHE A 1 37  ? 20.739 -1.657  46.464 1.00 8.33  ? 37  PHE A CD2 1 ? 
ATOM   308  C  CE1 . PHE A 1 37  ? 18.816 -1.779  48.411 1.00 8.53  ? 37  PHE A CE1 1 ? 
ATOM   309  C  CE2 . PHE A 1 37  ? 20.802 -0.815  47.562 1.00 8.41  ? 37  PHE A CE2 1 ? 
ATOM   310  C  CZ  . PHE A 1 37  ? 19.830 -0.843  48.531 1.00 8.17  ? 37  PHE A CZ  1 ? 
ATOM   311  N  N   . ASP A 1 38  ? 20.471 -6.752  43.923 1.00 9.40  ? 38  ASP A N   1 ? 
ATOM   312  C  CA  . ASP A 1 38  ? 20.173 -7.963  43.164 1.00 9.57  ? 38  ASP A CA  1 ? 
ATOM   313  C  C   . ASP A 1 38  ? 20.285 -9.252  43.988 1.00 10.49 ? 38  ASP A C   1 ? 
ATOM   314  O  O   . ASP A 1 38  ? 19.872 -10.317 43.514 1.00 13.06 ? 38  ASP A O   1 ? 
ATOM   315  C  CB  . ASP A 1 38  ? 21.094 -8.006  41.961 1.00 10.25 ? 38  ASP A CB  1 ? 
ATOM   316  C  CG  . ASP A 1 38  ? 20.929 -9.177  41.019 1.00 11.73 ? 38  ASP A CG  1 ? 
ATOM   317  O  OD1 . ASP A 1 38  ? 19.889 -9.205  40.342 1.00 14.76 ? 38  ASP A OD1 1 ? 
ATOM   318  O  OD2 . ASP A 1 38  ? 21.815 -10.051 40.991 1.00 13.16 ? 38  ASP A OD2 1 ? 
ATOM   319  N  N   . ARG A 1 39  ? 20.803 -9.195  45.214 1.00 9.36  ? 39  ARG A N   1 ? 
ATOM   320  C  CA  . ARG A 1 39  ? 20.977 -10.357 46.073 1.00 10.53 ? 39  ARG A CA  1 ? 
ATOM   321  C  C   . ARG A 1 39  ? 19.597 -10.970 46.343 1.00 10.78 ? 39  ARG A C   1 ? 
ATOM   322  O  O   . ARG A 1 39  ? 18.622 -10.221 46.586 1.00 10.02 ? 39  ARG A O   1 ? 
ATOM   323  C  CB  . ARG A 1 39  ? 21.653 -10.004 47.393 1.00 10.59 ? 39  ARG A CB  1 ? 
ATOM   324  C  CG  . ARG A 1 39  ? 23.149 -9.737  47.296 1.00 10.83 ? 39  ARG A CG  1 ? 
ATOM   325  C  CD  . ARG A 1 39  ? 23.704 -9.358  48.620 1.00 11.99 ? 39  ARG A CD  1 ? 
ATOM   326  N  NE  . ARG A 1 39  ? 23.461 -10.468 49.564 1.00 16.43 ? 39  ARG A NE  1 ? 
ATOM   327  C  CZ  . ARG A 1 39  ? 24.133 -11.681 49.538 1.00 22.36 ? 39  ARG A CZ  1 ? 
ATOM   328  N  NH1 . ARG A 1 39  ? 25.220 -11.864 48.775 1.00 21.79 ? 39  ARG A NH1 1 ? 
ATOM   329  N  NH2 . ARG A 1 39  ? 23.778 -12.696 50.303 1.00 21.17 ? 39  ARG A NH2 1 ? 
ATOM   330  N  N   . ASP A 1 40  ? 19.547 -12.320 46.485 1.00 9.76  ? 40  ASP A N   1 ? 
ATOM   331  C  CA  . ASP A 1 40  ? 18.249 -12.933 46.785 1.00 10.17 ? 40  ASP A CA  1 ? 
ATOM   332  C  C   . ASP A 1 40  ? 17.689 -12.516 48.141 1.00 10.05 ? 40  ASP A C   1 ? 
ATOM   333  O  O   . ASP A 1 40  ? 16.457 -12.530 48.307 1.00 10.57 ? 40  ASP A O   1 ? 
ATOM   334  C  CB  . ASP A 1 40  ? 18.282 -14.452 46.695 1.00 10.90 ? 40  ASP A CB  1 ? 
ATOM   335  C  CG  . ASP A 1 40  ? 19.037 -15.086 47.847 1.00 11.69 ? 40  ASP A CG  1 ? 
ATOM   336  O  OD1 . ASP A 1 40  ? 20.323 -15.134 47.793 1.00 12.17 ? 40  ASP A OD1 1 ? 
ATOM   337  O  OD2 . ASP A 1 40  ? 18.388 -15.457 48.862 1.00 11.87 ? 40  ASP A OD2 1 ? 
ATOM   338  N  N   . ASP A 1 41  ? 18.521 -12.071 49.075 1.00 8.98  ? 41  ASP A N   1 ? 
ATOM   339  C  CA  . ASP A 1 41  ? 18.146 -11.668 50.418 1.00 10.36 ? 41  ASP A CA  1 ? 
ATOM   340  C  C   . ASP A 1 41  ? 17.952 -10.155 50.560 1.00 8.70  ? 41  ASP A C   1 ? 
ATOM   341  O  O   . ASP A 1 41  ? 17.789 -9.688  51.695 1.00 10.32 ? 41  ASP A O   1 ? 
ATOM   342  C  CB  . ASP A 1 41  ? 19.113 -12.244 51.436 1.00 10.57 ? 41  ASP A CB  1 ? 
ATOM   343  C  CG  . ASP A 1 41  ? 20.545 -11.726 51.366 1.00 11.31 ? 41  ASP A CG  1 ? 
ATOM   344  O  OD1 . ASP A 1 41  ? 20.838 -10.953 50.455 1.00 12.29 ? 41  ASP A OD1 1 ? 
ATOM   345  O  OD2 . ASP A 1 41  ? 21.349 -12.115 52.261 1.00 14.18 ? 41  ASP A OD2 1 ? 
ATOM   346  N  N   . VAL A 1 42  ? 17.992 -9.440  49.440 1.00 9.76  ? 42  VAL A N   1 ? 
ATOM   347  C  CA  . VAL A 1 42  ? 17.699 -8.012  49.366 1.00 9.72  ? 42  VAL A CA  1 ? 
ATOM   348  C  C   . VAL A 1 42  ? 16.545 -7.811  48.363 1.00 9.76  ? 42  VAL A C   1 ? 
ATOM   349  O  O   . VAL A 1 42  ? 15.455 -7.396  48.755 1.00 10.63 ? 42  VAL A O   1 ? 
ATOM   350  C  CB  . VAL A 1 42  ? 18.943 -7.185  49.004 1.00 10.73 ? 42  VAL A CB  1 ? 
ATOM   351  C  CG1 . VAL A 1 42  ? 18.580 -5.706  48.918 1.00 11.24 ? 42  VAL A CG1 1 ? 
ATOM   352  C  CG2 . VAL A 1 42  ? 20.095 -7.424  49.972 1.00 12.14 ? 42  VAL A CG2 1 ? 
ATOM   353  N  N   . ALA A 1 43  ? 16.772 -8.155  47.096 1.00 8.77  ? 43  ALA A N   1 ? 
ATOM   354  C  CA  . ALA A 1 43  ? 15.731 -8.438  46.096 1.00 9.47  ? 43  ALA A CA  1 ? 
ATOM   355  C  C   . ALA A 1 43  ? 14.841 -7.206  45.903 1.00 10.18 ? 43  ALA A C   1 ? 
ATOM   356  O  O   . ALA A 1 43  ? 13.625 -7.259  46.057 1.00 10.30 ? 43  ALA A O   1 ? 
ATOM   357  C  CB  . ALA A 1 43  ? 14.921 -9.686  46.452 1.00 10.07 ? 43  ALA A CB  1 ? 
ATOM   358  N  N   . LEU A 1 44  ? 15.425 -6.085  45.512 1.00 9.81  ? 44  LEU A N   1 ? 
ATOM   359  C  CA  . LEU A 1 44  ? 14.713 -4.865  45.159 1.00 9.43  ? 44  LEU A CA  1 ? 
ATOM   360  C  C   . LEU A 1 44  ? 15.136 -4.457  43.759 1.00 10.02 ? 44  LEU A C   1 ? 
ATOM   361  O  O   . LEU A 1 44  ? 16.051 -3.646  43.577 1.00 9.80  ? 44  LEU A O   1 ? 
ATOM   362  C  CB  . LEU A 1 44  ? 15.013 -3.836  46.227 1.00 9.81  ? 44  LEU A CB  1 ? 
ATOM   363  C  CG  . LEU A 1 44  ? 14.390 -4.094  47.589 1.00 9.25  ? 44  LEU A CG  1 ? 
ATOM   364  C  CD1 . LEU A 1 44  ? 14.982 -3.240  48.676 1.00 9.29  ? 44  LEU A CD1 1 ? 
ATOM   365  C  CD2 . LEU A 1 44  ? 12.847 -3.876  47.551 1.00 10.83 ? 44  LEU A CD2 1 ? 
ATOM   366  N  N   . GLU A 1 45  ? 14.458 -5.012  42.773 1.00 10.08 ? 45  GLU A N   1 ? 
ATOM   367  C  CA  . GLU A 1 45  ? 14.827 -4.893  41.378 1.00 11.61 ? 45  GLU A CA  1 ? 
ATOM   368  C  C   . GLU A 1 45  ? 14.906 -3.433  40.908 1.00 10.40 ? 45  GLU A C   1 ? 
ATOM   369  O  O   . GLU A 1 45  ? 15.817 -3.028  40.170 1.00 10.16 ? 45  GLU A O   1 ? 
ATOM   370  C  CB  . GLU A 1 45  ? 13.941 -5.715  40.460 1.00 14.62 ? 45  GLU A CB  1 ? 
ATOM   371  C  CG  . GLU A 1 45  ? 14.305 -5.701  38.977 1.00 20.03 ? 45  GLU A CG  1 ? 
ATOM   372  C  CD  . GLU A 1 45  ? 13.253 -6.464  38.134 1.00 28.21 ? 45  GLU A CD  1 ? 
ATOM   373  O  OE1 . GLU A 1 45  ? 12.946 -7.635  38.458 1.00 31.13 ? 45  GLU A OE1 1 ? 
ATOM   374  O  OE2 . GLU A 1 45  ? 12.665 -5.850  37.206 1.00 36.58 ? 45  GLU A OE2 1 ? 
ATOM   375  N  N   . GLY A 1 46  ? 13.935 -2.607  41.294 1.00 9.45  ? 46  GLY A N   1 ? 
ATOM   376  C  CA  . GLY A 1 46  ? 13.959 -1.214  40.844 1.00 9.93  ? 46  GLY A CA  1 ? 
ATOM   377  C  C   . GLY A 1 46  ? 15.179 -0.469  41.419 1.00 8.76  ? 46  GLY A C   1 ? 
ATOM   378  O  O   . GLY A 1 46  ? 15.696 0.431   40.766 1.00 10.50 ? 46  GLY A O   1 ? 
ATOM   379  N  N   . VAL A 1 47  ? 15.609 -0.884  42.599 1.00 8.64  ? 47  VAL A N   1 ? 
ATOM   380  C  CA  . VAL A 1 47  ? 16.757 -0.240  43.247 1.00 8.75  ? 47  VAL A CA  1 ? 
ATOM   381  C  C   . VAL A 1 47  ? 18.035 -0.712  42.518 1.00 10.55 ? 47  VAL A C   1 ? 
ATOM   382  O  O   . VAL A 1 47  ? 18.936 0.096   42.184 1.00 9.01  ? 47  VAL A O   1 ? 
ATOM   383  C  CB  . VAL A 1 47  ? 16.817 -0.493  44.756 1.00 9.40  ? 47  VAL A CB  1 ? 
ATOM   384  C  CG1 . VAL A 1 47  ? 17.945 0.296   45.369 1.00 9.51  ? 47  VAL A CG1 1 ? 
ATOM   385  C  CG2 . VAL A 1 47  ? 15.499 -0.110  45.438 1.00 9.92  ? 47  VAL A CG2 1 ? 
ATOM   386  N  N   . CYS A 1 48  ? 18.123 -2.015  42.273 1.00 9.61  ? 48  CYS A N   1 ? 
ATOM   387  C  CA  . CYS A 1 48  ? 19.194 -2.596  41.469 1.00 10.17 ? 48  CYS A CA  1 ? 
ATOM   388  C  C   . CYS A 1 48  ? 19.328 -1.849  40.132 1.00 10.52 ? 48  CYS A C   1 ? 
ATOM   389  O  O   . CYS A 1 48  ? 20.415 -1.401  39.708 1.00 11.58 ? 48  CYS A O   1 ? 
ATOM   390  C  CB  . CYS A 1 48  ? 18.944 -4.084  41.269 1.00 10.82 ? 48  CYS A CB  1 ? 
ATOM   391  S  SG  . CYS A 1 48  ? 19.968 -4.841  40.000 1.00 13.56 ? 48  CYS A SG  1 ? 
ATOM   392  N  N   . HIS A 1 49  ? 18.212 -1.664  39.414 1.00 10.58 ? 49  HIS A N   1 ? 
ATOM   393  C  CA  A HIS A 1 49  ? 18.288 -1.048  38.101 0.59 11.05 ? 49  HIS A CA  1 ? 
ATOM   394  C  CA  B HIS A 1 49  ? 18.216 -1.023  38.109 0.41 11.24 ? 49  HIS A CA  1 ? 
ATOM   395  C  C   . HIS A 1 49  ? 18.660 0.439   38.212 1.00 10.65 ? 49  HIS A C   1 ? 
ATOM   396  O  O   . HIS A 1 49  ? 19.401 0.930   37.350 1.00 10.01 ? 49  HIS A O   1 ? 
ATOM   397  C  CB  A HIS A 1 49  ? 16.973 -1.226  37.325 0.59 12.67 ? 49  HIS A CB  1 ? 
ATOM   398  C  CB  B HIS A 1 49  ? 16.794 -1.046  37.525 0.41 12.66 ? 49  HIS A CB  1 ? 
ATOM   399  C  CG  A HIS A 1 49  ? 16.744 -2.623  36.873 0.59 15.35 ? 49  HIS A CG  1 ? 
ATOM   400  C  CG  B HIS A 1 49  ? 16.601 -0.281  36.252 0.41 15.16 ? 49  HIS A CG  1 ? 
ATOM   401  N  ND1 A HIS A 1 49  ? 15.738 -2.979  35.988 0.59 19.73 ? 49  HIS A ND1 1 ? 
ATOM   402  N  ND1 B HIS A 1 49  ? 16.230 1.051   36.180 0.41 17.93 ? 49  HIS A ND1 1 ? 
ATOM   403  C  CD2 A HIS A 1 49  ? 17.349 -3.763  37.205 0.59 17.04 ? 49  HIS A CD2 1 ? 
ATOM   404  C  CD2 B HIS A 1 49  ? 16.716 -0.700  34.972 0.41 18.37 ? 49  HIS A CD2 1 ? 
ATOM   405  C  CE1 A HIS A 1 49  ? 15.774 -4.290  35.791 0.59 16.25 ? 49  HIS A CE1 1 ? 
ATOM   406  C  CE1 B HIS A 1 49  ? 16.131 1.411   34.905 0.41 18.45 ? 49  HIS A CE1 1 ? 
ATOM   407  N  NE2 A HIS A 1 49  ? 16.740 -4.777  36.521 0.59 16.70 ? 49  HIS A NE2 1 ? 
ATOM   408  N  NE2 B HIS A 1 49  ? 16.417 0.365   34.157 0.41 18.05 ? 49  HIS A NE2 1 ? 
ATOM   409  N  N   . PHE A 1 50  ? 18.198 1.128   39.267 1.00 9.73  ? 50  PHE A N   1 ? 
ATOM   410  C  CA  . PHE A 1 50  ? 18.563 2.525   39.463 1.00 9.50  ? 50  PHE A CA  1 ? 
ATOM   411  C  C   . PHE A 1 50  ? 20.092 2.663   39.563 1.00 9.69  ? 50  PHE A C   1 ? 
ATOM   412  O  O   . PHE A 1 50  ? 20.718 3.463   38.854 1.00 10.56 ? 50  PHE A O   1 ? 
ATOM   413  C  CB  . PHE A 1 50  ? 17.882 3.061   40.715 1.00 10.05 ? 50  PHE A CB  1 ? 
ATOM   414  C  CG  . PHE A 1 50  ? 18.219 4.517   41.036 1.00 11.60 ? 50  PHE A CG  1 ? 
ATOM   415  C  CD1 . PHE A 1 50  ? 17.613 5.566   40.347 1.00 13.43 ? 50  PHE A CD1 1 ? 
ATOM   416  C  CD2 . PHE A 1 50  ? 19.048 4.821   42.093 1.00 11.38 ? 50  PHE A CD2 1 ? 
ATOM   417  C  CE1 . PHE A 1 50  ? 17.937 6.892   40.649 1.00 13.39 ? 50  PHE A CE1 1 ? 
ATOM   418  C  CE2 . PHE A 1 50  ? 19.325 6.143   42.415 1.00 11.89 ? 50  PHE A CE2 1 ? 
ATOM   419  C  CZ  . PHE A 1 50  ? 18.773 7.156   41.688 1.00 12.84 ? 50  PHE A CZ  1 ? 
ATOM   420  N  N   . PHE A 1 51  ? 20.681 1.894   40.442 1.00 9.41  ? 51  PHE A N   1 ? 
ATOM   421  C  CA  . PHE A 1 51  ? 22.142 2.009   40.612 1.00 10.14 ? 51  PHE A CA  1 ? 
ATOM   422  C  C   . PHE A 1 51  ? 22.941 1.437   39.454 1.00 11.19 ? 51  PHE A C   1 ? 
ATOM   423  O  O   . PHE A 1 51  ? 24.003 2.009   39.111 1.00 10.66 ? 51  PHE A O   1 ? 
ATOM   424  C  CB  . PHE A 1 51  ? 22.516 1.375   41.954 1.00 9.24  ? 51  PHE A CB  1 ? 
ATOM   425  C  CG  . PHE A 1 51  ? 22.059 2.167   43.153 1.00 8.91  ? 51  PHE A CG  1 ? 
ATOM   426  C  CD1 . PHE A 1 51  ? 22.326 3.525   43.240 1.00 10.56 ? 51  PHE A CD1 1 ? 
ATOM   427  C  CD2 . PHE A 1 51  ? 21.322 1.600   44.163 1.00 9.88  ? 51  PHE A CD2 1 ? 
ATOM   428  C  CE1 . PHE A 1 51  ? 21.899 4.248   44.329 1.00 10.34 ? 51  PHE A CE1 1 ? 
ATOM   429  C  CE2 . PHE A 1 51  ? 20.873 2.330   45.259 1.00 9.94  ? 51  PHE A CE2 1 ? 
ATOM   430  C  CZ  . PHE A 1 51  ? 21.166 3.658   45.337 1.00 10.73 ? 51  PHE A CZ  1 ? 
ATOM   431  N  N   . ARG A 1 52  ? 22.469 0.392   38.777 1.00 12.06 ? 52  ARG A N   1 ? 
ATOM   432  C  CA  A ARG A 1 52  ? 23.165 -0.128  37.612 0.50 12.98 ? 52  ARG A CA  1 ? 
ATOM   433  C  CA  B ARG A 1 52  ? 23.154 -0.130  37.597 0.50 13.18 ? 52  ARG A CA  1 ? 
ATOM   434  C  C   . ARG A 1 52  ? 23.238 0.954   36.531 1.00 12.03 ? 52  ARG A C   1 ? 
ATOM   435  O  O   . ARG A 1 52  ? 24.298 1.167   35.904 1.00 12.32 ? 52  ARG A O   1 ? 
ATOM   436  C  CB  A ARG A 1 52  ? 22.464 -1.415  37.189 0.50 13.90 ? 52  ARG A CB  1 ? 
ATOM   437  C  CB  B ARG A 1 52  ? 22.503 -1.332  36.916 0.50 14.43 ? 52  ARG A CB  1 ? 
ATOM   438  C  CG  A ARG A 1 52  ? 23.097 -2.074  35.980 0.50 16.89 ? 52  ARG A CG  1 ? 
ATOM   439  C  CG  B ARG A 1 52  ? 22.871 -2.635  37.602 0.50 17.93 ? 52  ARG A CG  1 ? 
ATOM   440  C  CD  A ARG A 1 52  ? 22.262 -3.273  35.513 0.50 18.39 ? 52  ARG A CD  1 ? 
ATOM   441  C  CD  B ARG A 1 52  ? 22.349 -3.921  36.936 0.50 20.59 ? 52  ARG A CD  1 ? 
ATOM   442  N  NE  A ARG A 1 52  ? 20.876 -2.958  35.154 0.50 21.32 ? 52  ARG A NE  1 ? 
ATOM   443  N  NE  B ARG A 1 52  ? 22.608 -5.077  37.803 0.50 26.08 ? 52  ARG A NE  1 ? 
ATOM   444  C  CZ  A ARG A 1 52  ? 20.000 -3.883  34.827 0.50 20.30 ? 52  ARG A CZ  1 ? 
ATOM   445  C  CZ  B ARG A 1 52  ? 22.000 -6.281  37.723 0.50 22.87 ? 52  ARG A CZ  1 ? 
ATOM   446  N  NH1 A ARG A 1 52  ? 20.275 -5.148  35.080 0.50 22.79 ? 52  ARG A NH1 1 ? 
ATOM   447  N  NH1 B ARG A 1 52  ? 21.143 -6.586  36.799 0.50 19.68 ? 52  ARG A NH1 1 ? 
ATOM   448  N  NH2 A ARG A 1 52  ? 18.856 -3.527  34.294 0.50 22.58 ? 52  ARG A NH2 1 ? 
ATOM   449  N  NH2 B ARG A 1 52  ? 22.249 -7.195  38.619 0.50 26.92 ? 52  ARG A NH2 1 ? 
ATOM   450  N  N   . PHE A 1 53  ? 22.127 1.690   36.332 1.00 13.13 ? 53  PHE A N   1 ? 
ATOM   451  C  CA  . PHE A 1 53  ? 22.127 2.750   35.342 1.00 14.79 ? 53  PHE A CA  1 ? 
ATOM   452  C  C   . PHE A 1 53  ? 23.122 3.843   35.730 1.00 13.28 ? 53  PHE A C   1 ? 
ATOM   453  O  O   . PHE A 1 53  ? 23.843 4.346   34.866 1.00 12.29 ? 53  PHE A O   1 ? 
ATOM   454  C  CB  . PHE A 1 53  ? 20.717 3.329   35.202 1.00 18.68 ? 53  PHE A CB  1 ? 
ATOM   455  C  CG  . PHE A 1 53  ? 20.742 4.539   34.280 1.00 26.98 ? 53  PHE A CG  1 ? 
ATOM   456  C  CD1 . PHE A 1 53  ? 20.706 4.379   32.897 1.00 38.22 ? 53  PHE A CD1 1 ? 
ATOM   457  C  CD2 . PHE A 1 53  ? 20.890 5.822   34.794 1.00 31.22 ? 53  PHE A CD2 1 ? 
ATOM   458  C  CE1 . PHE A 1 53  ? 20.770 5.482   32.058 1.00 40.63 ? 53  PHE A CE1 1 ? 
ATOM   459  C  CE2 . PHE A 1 53  ? 20.960 6.924   33.951 1.00 35.69 ? 53  PHE A CE2 1 ? 
ATOM   460  C  CZ  . PHE A 1 53  ? 20.914 6.751   32.585 1.00 40.25 ? 53  PHE A CZ  1 ? 
ATOM   461  N  N   . LEU A 1 54  ? 23.190 4.169   37.019 1.00 10.88 ? 54  LEU A N   1 ? 
ATOM   462  C  CA  . LEU A 1 54  ? 24.148 5.203   37.438 1.00 10.95 ? 54  LEU A CA  1 ? 
ATOM   463  C  C   . LEU A 1 54  ? 25.587 4.719   37.227 1.00 11.34 ? 54  LEU A C   1 ? 
ATOM   464  O  O   . LEU A 1 54  ? 26.471 5.516   36.899 1.00 10.23 ? 54  LEU A O   1 ? 
ATOM   465  C  CB  . LEU A 1 54  ? 23.870 5.622   38.866 1.00 12.15 ? 54  LEU A CB  1 ? 
ATOM   466  C  CG  . LEU A 1 54  ? 22.593 6.421   39.088 1.00 13.53 ? 54  LEU A CG  1 ? 
ATOM   467  C  CD1 . LEU A 1 54  ? 22.399 6.744   40.524 1.00 14.36 ? 54  LEU A CD1 1 ? 
ATOM   468  C  CD2 . LEU A 1 54  ? 22.536 7.681   38.226 1.00 17.99 ? 54  LEU A CD2 1 ? 
ATOM   469  N  N   . ALA A 1 55  ? 25.868 3.413   37.397 1.00 10.26 ? 55  ALA A N   1 ? 
ATOM   470  C  CA  . ALA A 1 55  ? 27.201 2.917   37.141 1.00 10.31 ? 55  ALA A CA  1 ? 
ATOM   471  C  C   . ALA A 1 55  ? 27.570 3.240   35.693 1.00 11.42 ? 55  ALA A C   1 ? 
ATOM   472  O  O   . ALA A 1 55  ? 28.658 3.729   35.381 1.00 11.28 ? 55  ALA A O   1 ? 
ATOM   473  C  CB  . ALA A 1 55  ? 27.293 1.430   37.407 1.00 10.63 ? 55  ALA A CB  1 ? 
ATOM   474  N  N   . PHE A 1 56  ? 26.630 3.031   34.766 1.00 10.69 ? 56  PHE A N   1 ? 
ATOM   475  C  CA  A PHE A 1 56  ? 26.914 3.254   33.365 0.30 11.93 ? 56  PHE A CA  1 ? 
ATOM   476  C  CA  B PHE A 1 56  ? 26.937 3.240   33.369 0.70 13.14 ? 56  PHE A CA  1 ? 
ATOM   477  C  C   . PHE A 1 56  ? 27.097 4.753   33.144 1.00 11.46 ? 56  PHE A C   1 ? 
ATOM   478  O  O   . PHE A 1 56  ? 27.993 5.195   32.395 1.00 12.27 ? 56  PHE A O   1 ? 
ATOM   479  C  CB  A PHE A 1 56  ? 25.804 2.767   32.435 0.30 12.58 ? 56  PHE A CB  1 ? 
ATOM   480  C  CB  B PHE A 1 56  ? 25.852 2.577   32.515 0.70 15.59 ? 56  PHE A CB  1 ? 
ATOM   481  C  CG  A PHE A 1 56  ? 25.886 3.458   31.083 0.30 14.42 ? 56  PHE A CG  1 ? 
ATOM   482  C  CG  B PHE A 1 56  ? 25.679 1.062   32.665 0.70 21.69 ? 56  PHE A CG  1 ? 
ATOM   483  C  CD1 A PHE A 1 56  ? 26.876 3.122   30.161 0.30 16.20 ? 56  PHE A CD1 1 ? 
ATOM   484  C  CD1 B PHE A 1 56  ? 26.665 0.238   33.206 0.70 27.76 ? 56  PHE A CD1 1 ? 
ATOM   485  C  CD2 A PHE A 1 56  ? 25.060 4.533   30.793 0.30 15.31 ? 56  PHE A CD2 1 ? 
ATOM   486  C  CD2 B PHE A 1 56  ? 24.464 0.454   32.330 0.70 29.51 ? 56  PHE A CD2 1 ? 
ATOM   487  C  CE1 A PHE A 1 56  ? 26.974 3.798   28.945 0.30 16.00 ? 56  PHE A CE1 1 ? 
ATOM   488  C  CE1 B PHE A 1 56  ? 26.467 -1.136  33.350 0.70 28.59 ? 56  PHE A CE1 1 ? 
ATOM   489  C  CE2 A PHE A 1 56  ? 25.157 5.197   29.582 0.30 16.16 ? 56  PHE A CE2 1 ? 
ATOM   490  C  CE2 B PHE A 1 56  ? 24.292 -0.925  32.451 0.70 28.95 ? 56  PHE A CE2 1 ? 
ATOM   491  C  CZ  A PHE A 1 56  ? 26.112 4.831   28.664 0.30 16.45 ? 56  PHE A CZ  1 ? 
ATOM   492  C  CZ  B PHE A 1 56  ? 25.296 -1.711  32.961 0.70 27.30 ? 56  PHE A CZ  1 ? 
ATOM   493  N  N   . PHE A 1 57  ? 26.213 5.550   33.732 1.00 11.97 ? 57  PHE A N   1 ? 
ATOM   494  C  CA  . PHE A 1 57  ? 26.245 6.985   33.537 1.00 13.47 ? 57  PHE A CA  1 ? 
ATOM   495  C  C   . PHE A 1 57  ? 27.551 7.611   34.036 1.00 12.03 ? 57  PHE A C   1 ? 
ATOM   496  O  O   . PHE A 1 57  ? 28.131 8.513   33.413 1.00 11.41 ? 57  PHE A O   1 ? 
ATOM   497  C  CB  . PHE A 1 57  ? 25.013 7.557   34.236 1.00 17.22 ? 57  PHE A CB  1 ? 
ATOM   498  C  CG  . PHE A 1 57  ? 24.686 9.001   33.946 1.00 25.88 ? 57  PHE A CG  1 ? 
ATOM   499  C  CD1 . PHE A 1 57  ? 24.720 9.489   32.643 1.00 34.26 ? 57  PHE A CD1 1 ? 
ATOM   500  C  CD2 . PHE A 1 57  ? 24.322 9.865   34.975 1.00 32.28 ? 57  PHE A CD2 1 ? 
ATOM   501  C  CE1 . PHE A 1 57  ? 24.419 10.820  32.377 1.00 35.83 ? 57  PHE A CE1 1 ? 
ATOM   502  C  CE2 . PHE A 1 57  ? 23.997 11.188  34.703 1.00 37.51 ? 57  PHE A CE2 1 ? 
ATOM   503  C  CZ  . PHE A 1 57  ? 24.059 11.660  33.403 1.00 37.05 ? 57  PHE A CZ  1 ? 
ATOM   504  N  N   . LYS A 1 58  ? 28.058 7.166   35.173 1.00 11.21 ? 58  LYS A N   1 ? 
ATOM   505  C  CA  . LYS A 1 58  ? 29.322 7.696   35.665 1.00 11.26 ? 58  LYS A CA  1 ? 
ATOM   506  C  C   . LYS A 1 58  ? 30.480 7.230   34.809 1.00 11.02 ? 58  LYS A C   1 ? 
ATOM   507  O  O   . LYS A 1 58  ? 31.409 7.998   34.575 1.00 10.60 ? 58  LYS A O   1 ? 
ATOM   508  C  CB  . LYS A 1 58  ? 29.572 7.273   37.112 1.00 11.29 ? 58  LYS A CB  1 ? 
ATOM   509  C  CG  . LYS A 1 58  ? 28.584 7.832   38.112 1.00 12.73 ? 58  LYS A CG  1 ? 
ATOM   510  C  CD  . LYS A 1 58  ? 28.628 9.363   38.110 1.00 18.17 ? 58  LYS A CD  1 ? 
ATOM   511  C  CE  . LYS A 1 58  ? 27.355 9.968   38.432 1.00 22.37 ? 58  LYS A CE  1 ? 
ATOM   512  N  NZ  . LYS A 1 58  ? 27.378 11.434  38.490 1.00 22.30 ? 58  LYS A NZ  1 ? 
ATOM   513  N  N   . PHE A 1 59  ? 30.450 5.986   34.315 1.00 10.12 ? 59  PHE A N   1 ? 
ATOM   514  C  CA  . PHE A 1 59  ? 31.470 5.535   33.379 1.00 10.79 ? 59  PHE A CA  1 ? 
ATOM   515  C  C   . PHE A 1 59  ? 31.471 6.454   32.152 1.00 10.77 ? 59  PHE A C   1 ? 
ATOM   516  O  O   . PHE A 1 59  ? 32.524 6.885   31.664 1.00 10.87 ? 59  PHE A O   1 ? 
ATOM   517  C  CB  . PHE A 1 59  ? 31.254 4.081   32.961 1.00 11.38 ? 59  PHE A CB  1 ? 
ATOM   518  C  CG  . PHE A 1 59  ? 32.200 3.728   31.860 1.00 12.10 ? 59  PHE A CG  1 ? 
ATOM   519  C  CD1 . PHE A 1 59  ? 33.563 3.554   32.116 1.00 13.45 ? 59  PHE A CD1 1 ? 
ATOM   520  C  CD2 . PHE A 1 59  ? 31.793 3.763   30.544 1.00 13.07 ? 59  PHE A CD2 1 ? 
ATOM   521  C  CE1 . PHE A 1 59  ? 34.437 3.331   31.070 1.00 15.97 ? 59  PHE A CE1 1 ? 
ATOM   522  C  CE2 . PHE A 1 59  ? 32.707 3.564   29.510 1.00 15.79 ? 59  PHE A CE2 1 ? 
ATOM   523  C  CZ  . PHE A 1 59  ? 34.006 3.405   29.783 1.00 14.75 ? 59  PHE A CZ  1 ? 
ATOM   524  N  N   . PHE A 1 60  ? 30.283 6.845   31.656 1.00 11.35 ? 60  PHE A N   1 ? 
ATOM   525  C  CA  A PHE A 1 60  ? 30.185 7.702   30.486 0.70 12.06 ? 60  PHE A CA  1 ? 
ATOM   526  C  CA  B PHE A 1 60  ? 30.278 7.666   30.458 0.30 11.75 ? 60  PHE A CA  1 ? 
ATOM   527  C  C   . PHE A 1 60  ? 30.820 9.068   30.744 1.00 11.07 ? 60  PHE A C   1 ? 
ATOM   528  O  O   . PHE A 1 60  ? 31.451 9.648   29.852 1.00 11.51 ? 60  PHE A O   1 ? 
ATOM   529  C  CB  A PHE A 1 60  ? 28.704 7.796   30.099 0.70 15.21 ? 60  PHE A CB  1 ? 
ATOM   530  C  CB  B PHE A 1 60  ? 28.932 7.565   29.742 0.30 13.35 ? 60  PHE A CB  1 ? 
ATOM   531  C  CG  A PHE A 1 60  ? 28.388 8.739   28.947 0.70 20.27 ? 60  PHE A CG  1 ? 
ATOM   532  C  CG  B PHE A 1 60  ? 28.980 6.323   28.866 0.30 15.40 ? 60  PHE A CG  1 ? 
ATOM   533  C  CD1 A PHE A 1 60  ? 28.818 8.428   27.656 0.70 24.74 ? 60  PHE A CD1 1 ? 
ATOM   534  C  CD1 B PHE A 1 60  ? 29.884 6.241   27.810 0.30 17.70 ? 60  PHE A CD1 1 ? 
ATOM   535  C  CD2 A PHE A 1 60  ? 27.640 9.904   29.139 0.70 25.18 ? 60  PHE A CD2 1 ? 
ATOM   536  C  CD2 B PHE A 1 60  ? 28.188 5.225   29.144 0.30 17.76 ? 60  PHE A CD2 1 ? 
ATOM   537  C  CE1 A PHE A 1 60  ? 28.517 9.269   26.585 0.70 26.21 ? 60  PHE A CE1 1 ? 
ATOM   538  C  CE1 B PHE A 1 60  ? 29.955 5.101   27.028 0.30 17.79 ? 60  PHE A CE1 1 ? 
ATOM   539  C  CE2 A PHE A 1 60  ? 27.339 10.733  28.060 0.70 26.55 ? 60  PHE A CE2 1 ? 
ATOM   540  C  CE2 B PHE A 1 60  ? 28.251 4.091   28.352 0.30 18.23 ? 60  PHE A CE2 1 ? 
ATOM   541  C  CZ  A PHE A 1 60  ? 27.784 10.412  26.791 0.70 25.74 ? 60  PHE A CZ  1 ? 
ATOM   542  C  CZ  B PHE A 1 60  ? 29.143 4.029   27.309 0.30 18.52 ? 60  PHE A CZ  1 ? 
ATOM   543  N  N   . GLY A 1 61  ? 30.677 9.571   31.970 1.00 9.80  ? 61  GLY A N   1 ? 
ATOM   544  C  CA  . GLY A 1 61  ? 31.304 10.817  32.344 1.00 10.31 ? 61  GLY A CA  1 ? 
ATOM   545  C  C   . GLY A 1 61  ? 32.822 10.695  32.259 1.00 10.40 ? 61  GLY A C   1 ? 
ATOM   546  O  O   . GLY A 1 61  ? 33.503 11.581  31.759 1.00 9.60  ? 61  GLY A O   1 ? 
ATOM   547  N  N   . ALA A 1 62  ? 33.372 9.616   32.844 1.00 9.57  ? 62  ALA A N   1 ? 
ATOM   548  C  CA  . ALA A 1 62  ? 34.804 9.368   32.737 1.00 9.32  ? 62  ALA A CA  1 ? 
ATOM   549  C  C   . ALA A 1 62  ? 35.263 9.295   31.280 1.00 9.60  ? 62  ALA A C   1 ? 
ATOM   550  O  O   . ALA A 1 62  ? 36.273 9.885   30.899 1.00 10.38 ? 62  ALA A O   1 ? 
ATOM   551  C  CB  . ALA A 1 62  ? 35.153 8.086   33.444 1.00 10.27 ? 62  ALA A CB  1 ? 
ATOM   552  N  N   . PHE A 1 63  ? 34.498 8.599   30.431 1.00 10.65 ? 63  PHE A N   1 ? 
ATOM   553  C  CA  . PHE A 1 63  ? 34.812 8.456   29.036 1.00 10.16 ? 63  PHE A CA  1 ? 
ATOM   554  C  C   . PHE A 1 63  ? 34.868 9.829   28.350 1.00 10.57 ? 63  PHE A C   1 ? 
ATOM   555  O  O   . PHE A 1 63  ? 35.806 10.104  27.590 1.00 10.77 ? 63  PHE A O   1 ? 
ATOM   556  C  CB  . PHE A 1 63  ? 33.767 7.560   28.368 1.00 11.33 ? 63  PHE A CB  1 ? 
ATOM   557  C  CG  . PHE A 1 63  ? 34.149 7.135   26.974 1.00 15.02 ? 63  PHE A CG  1 ? 
ATOM   558  C  CD1 . PHE A 1 63  ? 33.823 7.923   25.897 1.00 17.76 ? 63  PHE A CD1 1 ? 
ATOM   559  C  CD2 . PHE A 1 63  ? 34.837 5.954   26.760 1.00 17.24 ? 63  PHE A CD2 1 ? 
ATOM   560  C  CE1 . PHE A 1 63  ? 34.185 7.535   24.614 1.00 20.94 ? 63  PHE A CE1 1 ? 
ATOM   561  C  CE2 . PHE A 1 63  ? 35.223 5.593   25.477 1.00 20.12 ? 63  PHE A CE2 1 ? 
ATOM   562  C  CZ  . PHE A 1 63  ? 34.880 6.379   24.422 1.00 18.49 ? 63  PHE A CZ  1 ? 
ATOM   563  N  N   . ARG A 1 64  ? 33.895 10.688  28.599 1.00 10.82 ? 64  ARG A N   1 ? 
ATOM   564  C  CA  A ARG A 1 64  ? 33.893 12.007  27.982 0.30 10.89 ? 64  ARG A CA  1 ? 
ATOM   565  C  CA  B ARG A 1 64  ? 33.876 12.017  27.996 0.70 11.45 ? 64  ARG A CA  1 ? 
ATOM   566  C  C   . ARG A 1 64  ? 35.094 12.839  28.428 1.00 10.14 ? 64  ARG A C   1 ? 
ATOM   567  O  O   . ARG A 1 64  ? 35.686 13.567  27.631 1.00 10.42 ? 64  ARG A O   1 ? 
ATOM   568  C  CB  A ARG A 1 64  ? 32.596 12.763  28.283 0.30 12.05 ? 64  ARG A CB  1 ? 
ATOM   569  C  CB  B ARG A 1 64  ? 32.540 12.728  28.301 0.70 14.14 ? 64  ARG A CB  1 ? 
ATOM   570  C  CG  A ARG A 1 64  ? 31.328 12.071  27.826 0.30 14.04 ? 64  ARG A CG  1 ? 
ATOM   571  C  CG  B ARG A 1 64  ? 31.267 12.322  27.574 0.70 20.80 ? 64  ARG A CG  1 ? 
ATOM   572  C  CD  A ARG A 1 64  ? 30.201 13.085  27.912 0.30 15.11 ? 64  ARG A CD  1 ? 
ATOM   573  C  CD  B ARG A 1 64  ? 29.997 13.101  28.052 0.70 23.71 ? 64  ARG A CD  1 ? 
ATOM   574  N  NE  A ARG A 1 64  ? 30.232 13.986  26.762 0.30 16.63 ? 64  ARG A NE  1 ? 
ATOM   575  N  NE  B ARG A 1 64  ? 29.511 12.681  29.385 0.70 26.22 ? 64  ARG A NE  1 ? 
ATOM   576  C  CZ  A ARG A 1 64  ? 29.156 14.350  26.101 0.30 17.11 ? 64  ARG A CZ  1 ? 
ATOM   577  C  CZ  B ARG A 1 64  ? 28.680 13.345  30.185 0.70 26.94 ? 64  ARG A CZ  1 ? 
ATOM   578  N  NH1 A ARG A 1 64  ? 27.963 14.154  26.633 0.30 18.34 ? 64  ARG A NH1 1 ? 
ATOM   579  N  NH1 B ARG A 1 64  ? 27.970 14.360  29.700 0.70 27.37 ? 64  ARG A NH1 1 ? 
ATOM   580  N  NH2 A ARG A 1 64  ? 29.284 14.987  24.957 0.30 19.15 ? 64  ARG A NH2 1 ? 
ATOM   581  N  NH2 B ARG A 1 64  ? 28.490 12.955  31.448 0.70 26.79 ? 64  ARG A NH2 1 ? 
ATOM   582  N  N   . LEU A 1 65  ? 35.445 12.803  29.721 1.00 9.25  ? 65  LEU A N   1 ? 
ATOM   583  C  CA  . LEU A 1 65  ? 36.624 13.501  30.212 1.00 9.24  ? 65  LEU A CA  1 ? 
ATOM   584  C  C   . LEU A 1 65  ? 37.852 13.013  29.454 1.00 8.63  ? 65  LEU A C   1 ? 
ATOM   585  O  O   . LEU A 1 65  ? 38.732 13.817  29.151 1.00 9.07  ? 65  LEU A O   1 ? 
ATOM   586  C  CB  . LEU A 1 65  ? 36.734 13.292  31.718 1.00 9.43  ? 65  LEU A CB  1 ? 
ATOM   587  C  CG  . LEU A 1 65  ? 35.765 14.098  32.587 1.00 10.42 ? 65  LEU A CG  1 ? 
ATOM   588  C  CD1 . LEU A 1 65  ? 35.619 13.453  33.936 1.00 10.79 ? 65  LEU A CD1 1 ? 
ATOM   589  C  CD2 . LEU A 1 65  ? 36.255 15.498  32.707 1.00 11.21 ? 65  LEU A CD2 1 ? 
ATOM   590  N  N   . LEU A 1 66  ? 38.010 11.685  29.277 1.00 9.28  ? 66  LEU A N   1 ? 
ATOM   591  C  CA  . LEU A 1 66  ? 39.185 11.110  28.623 1.00 8.53  ? 66  LEU A CA  1 ? 
ATOM   592  C  C   . LEU A 1 66  ? 39.238 11.557  27.174 1.00 9.20  ? 66  LEU A C   1 ? 
ATOM   593  O  O   . LEU A 1 66  ? 40.331 11.881  26.654 1.00 9.69  ? 66  LEU A O   1 ? 
ATOM   594  C  CB  . LEU A 1 66  ? 39.155 9.597   28.763 1.00 9.18  ? 66  LEU A CB  1 ? 
ATOM   595  C  CG  . LEU A 1 66  ? 39.482 9.102   30.178 1.00 9.12  ? 66  LEU A CG  1 ? 
ATOM   596  C  CD1 . LEU A 1 66  ? 39.003 7.692   30.321 1.00 10.18 ? 66  LEU A CD1 1 ? 
ATOM   597  C  CD2 . LEU A 1 66  ? 40.930 9.197   30.487 1.00 9.29  ? 66  LEU A CD2 1 ? 
ATOM   598  N  N   . LYS A 1 67  ? 38.094 11.559  26.496 1.00 9.48  ? 67  LYS A N   1 ? 
ATOM   599  C  CA  A LYS A 1 67  ? 38.027 12.048  25.124 0.44 9.56  ? 67  LYS A CA  1 ? 
ATOM   600  C  CA  B LYS A 1 67  ? 38.040 12.038  25.124 0.56 9.71  ? 67  LYS A CA  1 ? 
ATOM   601  C  C   . LYS A 1 67  ? 38.509 13.497  25.058 1.00 9.44  ? 67  LYS A C   1 ? 
ATOM   602  O  O   . LYS A 1 67  ? 39.285 13.874  24.161 1.00 10.05 ? 67  LYS A O   1 ? 
ATOM   603  C  CB  A LYS A 1 67  ? 36.611 11.954  24.553 0.44 10.95 ? 67  LYS A CB  1 ? 
ATOM   604  C  CB  B LYS A 1 67  ? 36.633 11.853  24.560 0.56 11.81 ? 67  LYS A CB  1 ? 
ATOM   605  C  CG  A LYS A 1 67  ? 36.230 10.556  24.124 0.44 12.46 ? 67  LYS A CG  1 ? 
ATOM   606  C  CG  B LYS A 1 67  ? 36.525 12.247  23.112 0.56 14.12 ? 67  LYS A CG  1 ? 
ATOM   607  C  CD  A LYS A 1 67  ? 37.051 10.077  22.917 0.44 15.33 ? 67  LYS A CD  1 ? 
ATOM   608  C  CD  B LYS A 1 67  ? 35.128 12.076  22.543 0.56 19.64 ? 67  LYS A CD  1 ? 
ATOM   609  C  CE  A LYS A 1 67  ? 36.682 10.627  21.558 0.44 16.47 ? 67  LYS A CE  1 ? 
ATOM   610  C  CE  B LYS A 1 67  ? 35.037 12.616  21.140 0.56 24.64 ? 67  LYS A CE  1 ? 
ATOM   611  N  NZ  A LYS A 1 67  ? 37.548 10.121  20.470 0.44 16.13 ? 67  LYS A NZ  1 ? 
ATOM   612  N  NZ  B LYS A 1 67  ? 33.656 12.940  20.788 0.56 28.81 ? 67  LYS A NZ  1 ? 
ATOM   613  N  N   . MET A 1 68  ? 38.032 14.330  25.996 1.00 9.95  ? 68  MET A N   1 ? 
ATOM   614  C  CA  . MET A 1 68  ? 38.389 15.724  26.030 1.00 10.01 ? 68  MET A CA  1 ? 
ATOM   615  C  C   . MET A 1 68  ? 39.879 15.908  26.296 1.00 9.49  ? 68  MET A C   1 ? 
ATOM   616  O  O   . MET A 1 68  ? 40.531 16.741  25.654 1.00 10.59 ? 68  MET A O   1 ? 
ATOM   617  C  CB  . MET A 1 68  ? 37.520 16.470  27.022 1.00 10.17 ? 68  MET A CB  1 ? 
ATOM   618  C  CG  . MET A 1 68  ? 37.852 17.936  27.145 1.00 10.75 ? 68  MET A CG  1 ? 
ATOM   619  S  SD  . MET A 1 68  ? 39.216 18.301  28.246 1.00 12.04 ? 68  MET A SD  1 ? 
ATOM   620  C  CE  . MET A 1 68  ? 38.420 17.946  29.816 1.00 10.82 ? 68  MET A CE  1 ? 
ATOM   621  N  N   . GLN A 1 69  ? 40.436 15.084  27.172 1.00 9.34  ? 69  GLN A N   1 ? 
ATOM   622  C  CA  . GLN A 1 69  ? 41.854 15.150  27.471 1.00 9.18  ? 69  GLN A CA  1 ? 
ATOM   623  C  C   . GLN A 1 69  ? 42.645 15.026  26.172 1.00 9.27  ? 69  GLN A C   1 ? 
ATOM   624  O  O   . GLN A 1 69  ? 43.585 15.809  25.908 1.00 10.16 ? 69  GLN A O   1 ? 
ATOM   625  C  CB  . GLN A 1 69  ? 42.137 14.084  28.518 1.00 9.57  ? 69  GLN A CB  1 ? 
ATOM   626  C  CG  . GLN A 1 69  ? 43.589 13.930  28.965 1.00 10.06 ? 69  GLN A CG  1 ? 
ATOM   627  C  CD  . GLN A 1 69  ? 44.025 14.956  29.988 1.00 10.90 ? 69  GLN A CD  1 ? 
ATOM   628  O  OE1 . GLN A 1 69  ? 44.141 16.142  29.684 1.00 13.01 ? 69  GLN A OE1 1 ? 
ATOM   629  N  NE2 . GLN A 1 69  ? 44.185 14.550  31.246 1.00 10.35 ? 69  GLN A NE2 1 ? 
ATOM   630  N  N   . ASN A 1 70  ? 42.294 14.017  25.384 1.00 8.81  ? 70  ASN A N   1 ? 
ATOM   631  C  CA  . ASN A 1 70  ? 42.985 13.804  24.110 1.00 9.58  ? 70  ASN A CA  1 ? 
ATOM   632  C  C   . ASN A 1 70  ? 42.690 14.956  23.142 1.00 9.47  ? 70  ASN A C   1 ? 
ATOM   633  O  O   . ASN A 1 70  ? 43.565 15.346  22.364 1.00 8.98  ? 70  ASN A O   1 ? 
ATOM   634  C  CB  . ASN A 1 70  ? 42.571 12.467  23.520 1.00 9.37  ? 70  ASN A CB  1 ? 
ATOM   635  C  CG  . ASN A 1 70  ? 43.459 11.341  24.028 1.00 10.31 ? 70  ASN A CG  1 ? 
ATOM   636  O  OD1 . ASN A 1 70  ? 44.394 11.567  24.810 1.00 11.90 ? 70  ASN A OD1 1 ? 
ATOM   637  N  ND2 . ASN A 1 70  ? 43.143 10.105  23.660 1.00 10.01 ? 70  ASN A ND2 1 ? 
ATOM   638  N  N   . GLN A 1 71  ? 41.465 15.477  23.140 1.00 9.85  ? 71  GLN A N   1 ? 
ATOM   639  C  CA  A GLN A 1 71  ? 41.159 16.550  22.191 0.65 10.78 ? 71  GLN A CA  1 ? 
ATOM   640  C  CA  B GLN A 1 71  ? 41.126 16.556  22.209 0.35 10.89 ? 71  GLN A CA  1 ? 
ATOM   641  C  C   . GLN A 1 71  ? 41.996 17.780  22.464 1.00 10.41 ? 71  GLN A C   1 ? 
ATOM   642  O  O   . GLN A 1 71  ? 42.369 18.491  21.528 1.00 11.41 ? 71  GLN A O   1 ? 
ATOM   643  C  CB  A GLN A 1 71  ? 39.698 16.968  22.226 0.65 11.46 ? 71  GLN A CB  1 ? 
ATOM   644  C  CB  B GLN A 1 71  ? 39.667 16.993  22.320 0.35 11.83 ? 71  GLN A CB  1 ? 
ATOM   645  C  CG  A GLN A 1 71  ? 38.820 15.935  21.559 0.65 12.65 ? 71  GLN A CG  1 ? 
ATOM   646  C  CG  B GLN A 1 71  ? 38.671 15.949  21.839 0.35 13.08 ? 71  GLN A CG  1 ? 
ATOM   647  C  CD  A GLN A 1 71  ? 37.351 16.118  21.857 0.65 15.82 ? 71  GLN A CD  1 ? 
ATOM   648  C  CD  B GLN A 1 71  ? 38.531 15.900  20.339 0.35 15.56 ? 71  GLN A CD  1 ? 
ATOM   649  O  OE1 A GLN A 1 71  ? 36.933 16.489  22.958 0.65 20.98 ? 71  GLN A OE1 1 ? 
ATOM   650  O  OE1 B GLN A 1 71  ? 38.798 14.880  19.703 0.35 20.45 ? 71  GLN A OE1 1 ? 
ATOM   651  N  NE2 A GLN A 1 71  ? 36.538 15.865  20.852 0.65 23.00 ? 71  GLN A NE2 1 ? 
ATOM   652  N  NE2 B GLN A 1 71  ? 38.099 17.009  19.765 0.35 15.80 ? 71  GLN A NE2 1 ? 
ATOM   653  N  N   . ARG A 1 72  ? 42.318 18.002  23.733 1.00 10.22 ? 72  ARG A N   1 ? 
ATOM   654  C  CA  . ARG A 1 72  ? 43.144 19.126  24.116 1.00 9.02  ? 72  ARG A CA  1 ? 
ATOM   655  C  C   . ARG A 1 72  ? 44.646 18.881  24.015 1.00 9.99  ? 72  ARG A C   1 ? 
ATOM   656  O  O   . ARG A 1 72  ? 45.414 19.793  24.234 1.00 11.74 ? 72  ARG A O   1 ? 
ATOM   657  C  CB  . ARG A 1 72  ? 42.736 19.570  25.527 1.00 8.44  ? 72  ARG A CB  1 ? 
ATOM   658  C  CG  . ARG A 1 72  ? 41.362 20.202  25.709 1.00 8.73  ? 72  ARG A CG  1 ? 
ATOM   659  C  CD  . ARG A 1 72  ? 41.124 21.455  24.835 1.00 8.88  ? 72  ARG A CD  1 ? 
ATOM   660  N  NE  . ARG A 1 72  ? 42.060 22.539  25.148 1.00 9.17  ? 72  ARG A NE  1 ? 
ATOM   661  C  CZ  . ARG A 1 72  ? 41.904 23.436  26.123 1.00 9.29  ? 72  ARG A CZ  1 ? 
ATOM   662  N  NH1 . ARG A 1 72  ? 40.921 23.357  27.011 1.00 8.86  ? 72  ARG A NH1 1 ? 
ATOM   663  N  NH2 . ARG A 1 72  ? 42.752 24.445  26.190 1.00 9.86  ? 72  ARG A NH2 1 ? 
ATOM   664  N  N   . GLY A 1 73  ? 45.068 17.625  23.811 1.00 10.75 ? 73  GLY A N   1 ? 
ATOM   665  C  CA  . GLY A 1 73  ? 46.471 17.311  23.740 1.00 10.44 ? 73  GLY A CA  1 ? 
ATOM   666  C  C   . GLY A 1 73  ? 47.122 16.985  25.058 1.00 11.42 ? 73  GLY A C   1 ? 
ATOM   667  O  O   . GLY A 1 73  ? 48.350 16.872  25.105 1.00 12.66 ? 73  GLY A O   1 ? 
ATOM   668  N  N   . GLY A 1 74  ? 46.334 16.812  26.130 1.00 10.56 ? 74  GLY A N   1 ? 
ATOM   669  C  CA  . GLY A 1 74  ? 46.857 16.248  27.352 1.00 11.17 ? 74  GLY A CA  1 ? 
ATOM   670  C  C   . GLY A 1 74  ? 47.043 14.724  27.253 1.00 11.06 ? 74  GLY A C   1 ? 
ATOM   671  O  O   . GLY A 1 74  ? 46.635 14.112  26.297 1.00 12.90 ? 74  GLY A O   1 ? 
ATOM   672  N  N   . ARG A 1 75  ? 47.604 14.125  28.298 1.00 10.76 ? 75  ARG A N   1 ? 
ATOM   673  C  CA  . ARG A 1 75  ? 47.894 12.701  28.336 1.00 11.07 ? 75  ARG A CA  1 ? 
ATOM   674  C  C   . ARG A 1 75  ? 47.036 12.068  29.424 1.00 9.55  ? 75  ARG A C   1 ? 
ATOM   675  O  O   . ARG A 1 75  ? 47.174 12.393  30.603 1.00 10.82 ? 75  ARG A O   1 ? 
ATOM   676  C  CB  . ARG A 1 75  ? 49.357 12.363  28.590 1.00 13.29 ? 75  ARG A CB  1 ? 
ATOM   677  C  CG  . ARG A 1 75  ? 49.649 10.858  28.522 1.00 18.26 ? 75  ARG A CG  1 ? 
ATOM   678  C  CD  . ARG A 1 75  ? 51.092 10.439  28.655 1.00 21.19 ? 75  ARG A CD  1 ? 
ATOM   679  N  NE  . ARG A 1 75  ? 52.022 10.991  27.664 1.00 22.31 ? 75  ARG A NE  1 ? 
ATOM   680  C  CZ  . ARG A 1 75  ? 52.243 10.516  26.430 1.00 23.36 ? 75  ARG A CZ  1 ? 
ATOM   681  N  NH1 . ARG A 1 75  ? 51.585 9.469   25.925 1.00 20.04 ? 75  ARG A NH1 1 ? 
ATOM   682  N  NH2 . ARG A 1 75  ? 53.198 11.082  25.707 1.00 24.54 ? 75  ARG A NH2 1 ? 
ATOM   683  N  N   . ALA A 1 76  ? 46.134 11.184  29.022 1.00 9.47  ? 76  ALA A N   1 ? 
ATOM   684  C  CA  . ALA A 1 76  ? 45.365 10.379  29.956 1.00 10.87 ? 76  ALA A CA  1 ? 
ATOM   685  C  C   . ALA A 1 76  ? 46.318 9.491   30.723 1.00 11.73 ? 76  ALA A C   1 ? 
ATOM   686  O  O   . ALA A 1 76  ? 47.115 8.772   30.114 1.00 14.14 ? 76  ALA A O   1 ? 
ATOM   687  C  CB  . ALA A 1 76  ? 44.363 9.558   29.199 1.00 12.95 ? 76  ALA A CB  1 ? 
ATOM   688  N  N   . LEU A 1 77  ? 46.173 9.515   32.052 1.00 11.14 ? 77  LEU A N   1 ? 
ATOM   689  C  CA  . LEU A 1 77  ? 46.989 8.742   32.959 1.00 13.24 ? 77  LEU A CA  1 ? 
ATOM   690  C  C   . LEU A 1 77  ? 46.006 8.119   33.918 1.00 14.17 ? 77  LEU A C   1 ? 
ATOM   691  O  O   . LEU A 1 77  ? 45.257 8.856   34.572 1.00 16.69 ? 77  LEU A O   1 ? 
ATOM   692  C  CB  . LEU A 1 77  ? 48.018 9.568   33.700 1.00 15.11 ? 77  LEU A CB  1 ? 
ATOM   693  C  CG  . LEU A 1 77  ? 49.221 9.997   32.869 1.00 17.42 ? 77  LEU A CG  1 ? 
ATOM   694  C  CD1 . LEU A 1 77  ? 50.068 10.842  33.823 1.00 19.05 ? 77  LEU A CD1 1 ? 
ATOM   695  C  CD2 . LEU A 1 77  ? 50.030 8.851   32.278 1.00 17.73 ? 77  LEU A CD2 1 ? 
ATOM   696  N  N   . PHE A 1 78  ? 46.138 6.811   34.061 1.00 10.92 ? 78  PHE A N   1 ? 
ATOM   697  C  CA  . PHE A 1 78  ? 45.234 6.058   34.900 1.00 11.67 ? 78  PHE A CA  1 ? 
ATOM   698  C  C   . PHE A 1 78  ? 45.952 5.596   36.163 1.00 12.17 ? 78  PHE A C   1 ? 
ATOM   699  O  O   . PHE A 1 78  ? 47.161 5.340   36.173 1.00 14.31 ? 78  PHE A O   1 ? 
ATOM   700  C  CB  . PHE A 1 78  ? 44.761 4.845   34.129 1.00 11.00 ? 78  PHE A CB  1 ? 
ATOM   701  C  CG  . PHE A 1 78  ? 43.960 5.182   32.890 1.00 11.86 ? 78  PHE A CG  1 ? 
ATOM   702  C  CD1 . PHE A 1 78  ? 42.611 5.531   33.038 1.00 14.07 ? 78  PHE A CD1 1 ? 
ATOM   703  C  CD2 . PHE A 1 78  ? 44.545 5.239   31.635 1.00 12.68 ? 78  PHE A CD2 1 ? 
ATOM   704  C  CE1 . PHE A 1 78  ? 41.862 5.868   31.920 1.00 14.72 ? 78  PHE A CE1 1 ? 
ATOM   705  C  CE2 . PHE A 1 78  ? 43.794 5.606   30.513 1.00 12.87 ? 78  PHE A CE2 1 ? 
ATOM   706  C  CZ  . PHE A 1 78  ? 42.437 5.880   30.664 1.00 13.65 ? 78  PHE A CZ  1 ? 
ATOM   707  N  N   . GLN A 1 79  ? 45.241 5.670   37.245 1.00 10.56 ? 79  GLN A N   1 ? 
ATOM   708  C  CA  . GLN A 1 79  ? 45.766 5.273   38.534 1.00 11.36 ? 79  GLN A CA  1 ? 
ATOM   709  C  C   . GLN A 1 79  ? 44.962 4.110   39.070 1.00 8.75  ? 79  GLN A C   1 ? 
ATOM   710  O  O   . GLN A 1 79  ? 43.898 3.777   38.556 1.00 9.17  ? 79  GLN A O   1 ? 
ATOM   711  C  CB  . GLN A 1 79  ? 45.743 6.460   39.511 1.00 14.23 ? 79  GLN A CB  1 ? 
ATOM   712  C  CG  . GLN A 1 79  ? 46.709 7.587   39.136 1.00 19.17 ? 79  GLN A CG  1 ? 
ATOM   713  C  CD  . GLN A 1 79  ? 48.153 7.197   38.872 1.00 32.04 ? 79  GLN A CD  1 ? 
ATOM   714  O  OE1 . GLN A 1 79  ? 48.778 6.329   39.528 1.00 32.47 ? 79  GLN A OE1 1 ? 
ATOM   715  N  NE2 . GLN A 1 79  ? 48.717 7.876   37.872 1.00 40.40 ? 79  GLN A NE2 1 ? 
ATOM   716  N  N   . ASP A 1 80  ? 45.423 3.525   40.179 1.00 8.50  ? 80  ASP A N   1 ? 
ATOM   717  C  CA  . ASP A 1 80  ? 44.679 2.469   40.798 1.00 8.23  ? 80  ASP A CA  1 ? 
ATOM   718  C  C   . ASP A 1 80  ? 43.293 2.976   41.183 1.00 9.02  ? 80  ASP A C   1 ? 
ATOM   719  O  O   . ASP A 1 80  ? 43.126 4.173   41.475 1.00 9.32  ? 80  ASP A O   1 ? 
ATOM   720  C  CB  . ASP A 1 80  ? 45.427 2.073   42.068 1.00 8.33  ? 80  ASP A CB  1 ? 
ATOM   721  C  CG  . ASP A 1 80  ? 46.765 1.384   41.912 1.00 7.98  ? 80  ASP A CG  1 ? 
ATOM   722  O  OD1 . ASP A 1 80  ? 47.056 0.756   40.842 1.00 7.87  ? 80  ASP A OD1 1 ? 
ATOM   723  O  OD2 . ASP A 1 80  ? 47.544 1.463   42.868 1.00 9.56  ? 80  ASP A OD2 1 ? 
ATOM   724  N  N   . LEU A 1 81  ? 42.311 2.081   41.163 1.00 8.98  ? 81  LEU A N   1 ? 
ATOM   725  C  CA  A LEU A 1 81  ? 40.946 2.438   41.529 0.65 9.03  ? 81  LEU A CA  1 ? 
ATOM   726  C  CA  B LEU A 1 81  ? 40.939 2.426   41.502 0.35 9.17  ? 81  LEU A CA  1 ? 
ATOM   727  C  C   . LEU A 1 81  ? 40.580 1.792   42.845 1.00 9.18  ? 81  LEU A C   1 ? 
ATOM   728  O  O   . LEU A 1 81  ? 40.519 0.565   42.937 1.00 11.27 ? 81  LEU A O   1 ? 
ATOM   729  C  CB  A LEU A 1 81  ? 39.917 2.039   40.483 0.65 9.64  ? 81  LEU A CB  1 ? 
ATOM   730  C  CB  B LEU A 1 81  ? 40.074 1.932   40.339 0.35 9.60  ? 81  LEU A CB  1 ? 
ATOM   731  C  CG  A LEU A 1 81  ? 39.966 2.855   39.199 0.65 9.85  ? 81  LEU A CG  1 ? 
ATOM   732  C  CG  B LEU A 1 81  ? 38.586 2.291   40.346 0.35 9.68  ? 81  LEU A CG  1 ? 
ATOM   733  C  CD1 A LEU A 1 81  ? 39.127 2.124   38.139 0.65 10.64 ? 81  LEU A CD1 1 ? 
ATOM   734  C  CD1 B LEU A 1 81  ? 38.424 3.764   40.462 0.35 10.06 ? 81  LEU A CD1 1 ? 
ATOM   735  C  CD2 A LEU A 1 81  ? 39.469 4.246   39.486 0.65 10.53 ? 81  LEU A CD2 1 ? 
ATOM   736  C  CD2 B LEU A 1 81  ? 37.938 1.760   39.086 0.35 9.81  ? 81  LEU A CD2 1 ? 
ATOM   737  N  N   . GLN A 1 82  ? 40.331 2.619   43.843 1.00 8.80  ? 82  GLN A N   1 ? 
ATOM   738  C  CA  . GLN A 1 82  ? 39.966 2.031   45.119 1.00 10.10 ? 82  GLN A CA  1 ? 
ATOM   739  C  C   . GLN A 1 82  ? 38.584 1.407   45.063 1.00 10.01 ? 82  GLN A C   1 ? 
ATOM   740  O  O   . GLN A 1 82  ? 37.701 1.869   44.320 1.00 11.02 ? 82  GLN A O   1 ? 
ATOM   741  C  CB  . GLN A 1 82  ? 40.045 3.030   46.244 1.00 12.29 ? 82  GLN A CB  1 ? 
ATOM   742  C  CG  . GLN A 1 82  ? 39.072 4.155   46.135 1.00 14.10 ? 82  GLN A CG  1 ? 
ATOM   743  C  CD  . GLN A 1 82  ? 39.546 5.291   47.015 1.00 17.93 ? 82  GLN A CD  1 ? 
ATOM   744  O  OE1 . GLN A 1 82  ? 40.359 6.144   46.632 1.00 20.71 ? 82  GLN A OE1 1 ? 
ATOM   745  N  NE2 . GLN A 1 82  ? 39.038 5.250   48.215 1.00 15.14 ? 82  GLN A NE2 1 ? 
ATOM   746  N  N   . LYS A 1 83  ? 38.418 0.361   45.890 1.00 8.93  ? 83  LYS A N   1 ? 
ATOM   747  C  CA  . LYS A 1 83  ? 37.138 -0.312  46.011 1.00 8.75  ? 83  LYS A CA  1 ? 
ATOM   748  C  C   . LYS A 1 83  ? 36.142 0.614   46.689 1.00 9.30  ? 83  LYS A C   1 ? 
ATOM   749  O  O   . LYS A 1 83  ? 36.490 1.587   47.379 1.00 8.44  ? 83  LYS A O   1 ? 
ATOM   750  C  CB  . LYS A 1 83  ? 37.332 -1.609  46.791 1.00 8.72  ? 83  LYS A CB  1 ? 
ATOM   751  C  CG  . LYS A 1 83  ? 37.550 -1.458  48.245 1.00 8.61  ? 83  LYS A CG  1 ? 
ATOM   752  C  CD  . LYS A 1 83  ? 37.810 -2.784  48.939 1.00 10.47 ? 83  LYS A CD  1 ? 
ATOM   753  C  CE  . LYS A 1 83  ? 37.692 -2.692  50.400 1.00 11.08 ? 83  LYS A CE  1 ? 
ATOM   754  N  NZ  . LYS A 1 83  ? 37.913 -4.001  51.064 1.00 13.80 ? 83  LYS A NZ  1 ? 
ATOM   755  N  N   . PRO A 1 84  ? 34.841 0.300   46.531 1.00 8.73  ? 84  PRO A N   1 ? 
ATOM   756  C  CA  . PRO A 1 84  ? 33.838 1.098   47.229 1.00 9.09  ? 84  PRO A CA  1 ? 
ATOM   757  C  C   . PRO A 1 84  ? 33.969 1.100   48.747 1.00 9.33  ? 84  PRO A C   1 ? 
ATOM   758  O  O   . PRO A 1 84  ? 34.590 0.215   49.330 1.00 9.51  ? 84  PRO A O   1 ? 
ATOM   759  C  CB  . PRO A 1 84  ? 32.522 0.438   46.754 1.00 8.83  ? 84  PRO A CB  1 ? 
ATOM   760  C  CG  . PRO A 1 84  ? 32.919 -0.139  45.412 1.00 8.60  ? 84  PRO A CG  1 ? 
ATOM   761  C  CD  . PRO A 1 84  ? 34.279 -0.761  45.701 1.00 8.35  ? 84  PRO A CD  1 ? 
ATOM   762  N  N   . SER A 1 85  ? 33.288 2.054   49.371 1.00 9.91  ? 85  SER A N   1 ? 
ATOM   763  C  CA  . SER A 1 85  ? 33.442 2.295   50.794 1.00 10.40 ? 85  SER A CA  1 ? 
ATOM   764  C  C   . SER A 1 85  ? 32.799 1.221   51.654 1.00 10.86 ? 85  SER A C   1 ? 
ATOM   765  O  O   . SER A 1 85  ? 33.203 1.071   52.804 1.00 12.90 ? 85  SER A O   1 ? 
ATOM   766  C  CB  . SER A 1 85  ? 32.949 3.662   51.215 1.00 12.49 ? 85  SER A CB  1 ? 
ATOM   767  O  OG  . SER A 1 85  ? 31.553 3.783   50.988 1.00 17.14 ? 85  SER A OG  1 ? 
ATOM   768  N  N   . GLN A 1 86  ? 31.837 0.476   51.109 1.00 10.36 ? 86  GLN A N   1 ? 
ATOM   769  C  CA  A GLN A 1 86  ? 31.115 -0.559  51.829 0.55 10.54 ? 86  GLN A CA  1 ? 
ATOM   770  C  CA  B GLN A 1 86  ? 31.109 -0.558  51.825 0.45 10.76 ? 86  GLN A CA  1 ? 
ATOM   771  C  C   . GLN A 1 86  ? 30.998 -1.806  50.943 1.00 9.92  ? 86  GLN A C   1 ? 
ATOM   772  O  O   . GLN A 1 86  ? 31.043 -1.722  49.720 1.00 9.58  ? 86  GLN A O   1 ? 
ATOM   773  C  CB  A GLN A 1 86  ? 29.722 -0.074  52.244 0.55 11.09 ? 86  GLN A CB  1 ? 
ATOM   774  C  CB  B GLN A 1 86  ? 29.706 -0.075  52.198 0.45 11.63 ? 86  GLN A CB  1 ? 
ATOM   775  C  CG  A GLN A 1 86  ? 29.718 1.225   53.051 0.55 12.09 ? 86  GLN A CG  1 ? 
ATOM   776  C  CG  B GLN A 1 86  ? 29.692 1.213   53.015 0.45 12.96 ? 86  GLN A CG  1 ? 
ATOM   777  C  CD  A GLN A 1 86  ? 28.342 1.822   53.262 0.55 14.26 ? 86  GLN A CD  1 ? 
ATOM   778  C  CD  B GLN A 1 86  ? 30.327 1.028   54.374 0.45 15.31 ? 86  GLN A CD  1 ? 
ATOM   779  O  OE1 A GLN A 1 86  ? 28.169 3.051   53.327 0.55 16.55 ? 86  GLN A OE1 1 ? 
ATOM   780  O  OE1 B GLN A 1 86  ? 30.872 1.957   54.993 0.45 20.48 ? 86  GLN A OE1 1 ? 
ATOM   781  N  NE2 A GLN A 1 86  ? 27.375 0.937   53.460 0.55 14.85 ? 86  GLN A NE2 1 ? 
ATOM   782  N  NE2 B GLN A 1 86  ? 30.277 -0.203  54.840 0.45 15.90 ? 86  GLN A NE2 1 ? 
ATOM   783  N  N   . ASP A 1 87  ? 30.885 -2.972  51.590 1.00 9.36  ? 87  ASP A N   1 ? 
ATOM   784  C  CA  . ASP A 1 87  ? 30.554 -4.234  50.956 1.00 9.94  ? 87  ASP A CA  1 ? 
ATOM   785  C  C   . ASP A 1 87  ? 29.056 -4.554  50.946 1.00 11.21 ? 87  ASP A C   1 ? 
ATOM   786  O  O   . ASP A 1 87  ? 28.615 -5.316  50.083 1.00 12.04 ? 87  ASP A O   1 ? 
ATOM   787  C  CB  . ASP A 1 87  ? 31.287 -5.384  51.611 1.00 9.55  ? 87  ASP A CB  1 ? 
ATOM   788  C  CG  . ASP A 1 87  ? 32.815 -5.278  51.528 1.00 10.15 ? 87  ASP A CG  1 ? 
ATOM   789  O  OD1 . ASP A 1 87  ? 33.318 -4.843  50.462 1.00 10.59 ? 87  ASP A OD1 1 ? 
ATOM   790  O  OD2 . ASP A 1 87  ? 33.449 -5.695  52.513 1.00 13.16 ? 87  ASP A OD2 1 ? 
ATOM   791  N  N   . GLU A 1 88  ? 28.343 -4.039  51.944 1.00 10.58 ? 88  GLU A N   1 ? 
ATOM   792  C  CA  . GLU A 1 88  ? 26.895 -4.204  52.096 1.00 12.17 ? 88  GLU A CA  1 ? 
ATOM   793  C  C   . GLU A 1 88  ? 26.336 -2.805  52.352 1.00 11.94 ? 88  GLU A C   1 ? 
ATOM   794  O  O   . GLU A 1 88  ? 26.950 -2.019  53.042 1.00 12.46 ? 88  GLU A O   1 ? 
ATOM   795  C  CB  . GLU A 1 88  ? 26.621 -5.097  53.317 1.00 15.34 ? 88  GLU A CB  1 ? 
ATOM   796  C  CG  . GLU A 1 88  ? 27.134 -6.512  53.100 1.00 20.82 ? 88  GLU A CG  1 ? 
ATOM   797  C  CD  . GLU A 1 88  ? 26.714 -7.455  54.219 1.00 31.58 ? 88  GLU A CD  1 ? 
ATOM   798  O  OE1 . GLU A 1 88  ? 26.949 -7.138  55.387 1.00 35.59 ? 88  GLU A OE1 1 ? 
ATOM   799  O  OE2 . GLU A 1 88  ? 26.136 -8.501  53.896 1.00 38.89 ? 88  GLU A OE2 1 ? 
ATOM   800  N  N   . TRP A 1 89  ? 25.160 -2.496  51.793 1.00 9.98  ? 89  TRP A N   1 ? 
ATOM   801  C  CA  . TRP A 1 89  ? 24.708 -1.116  51.674 1.00 10.36 ? 89  TRP A CA  1 ? 
ATOM   802  C  C   . TRP A 1 89  ? 23.424 -0.808  52.444 1.00 10.98 ? 89  TRP A C   1 ? 
ATOM   803  O  O   . TRP A 1 89  ? 22.920 0.307   52.329 1.00 12.14 ? 89  TRP A O   1 ? 
ATOM   804  C  CB  . TRP A 1 89  ? 24.579 -0.722  50.200 1.00 9.81  ? 89  TRP A CB  1 ? 
ATOM   805  C  CG  . TRP A 1 89  ? 25.893 -0.777  49.454 1.00 9.82  ? 89  TRP A CG  1 ? 
ATOM   806  C  CD1 . TRP A 1 89  ? 26.322 -1.784  48.636 1.00 9.55  ? 89  TRP A CD1 1 ? 
ATOM   807  C  CD2 . TRP A 1 89  ? 26.895 0.263   49.389 1.00 9.90  ? 89  TRP A CD2 1 ? 
ATOM   808  N  NE1 . TRP A 1 89  ? 27.556 -1.457  48.117 1.00 9.37  ? 89  TRP A NE1 1 ? 
ATOM   809  C  CE2 . TRP A 1 89  ? 27.922 -0.225  48.571 1.00 9.80  ? 89  TRP A CE2 1 ? 
ATOM   810  C  CE3 . TRP A 1 89  ? 27.025 1.518   49.978 1.00 10.13 ? 89  TRP A CE3 1 ? 
ATOM   811  C  CZ2 . TRP A 1 89  ? 29.054 0.530   48.294 1.00 9.18  ? 89  TRP A CZ2 1 ? 
ATOM   812  C  CZ3 . TRP A 1 89  ? 28.132 2.277   49.704 1.00 10.14 ? 89  TRP A CZ3 1 ? 
ATOM   813  C  CH2 . TRP A 1 89  ? 29.118 1.783   48.860 1.00 9.87  ? 89  TRP A CH2 1 ? 
ATOM   814  N  N   . GLY A 1 90  ? 23.007 -1.729  53.308 1.00 11.96 ? 90  GLY A N   1 ? 
ATOM   815  C  CA  . GLY A 1 90  ? 21.849 -1.517  54.196 1.00 10.94 ? 90  GLY A CA  1 ? 
ATOM   816  C  C   . GLY A 1 90  ? 20.520 -1.388  53.456 1.00 11.03 ? 90  GLY A C   1 ? 
ATOM   817  O  O   . GLY A 1 90  ? 20.222 -2.177  52.582 1.00 11.30 ? 90  GLY A O   1 ? 
ATOM   818  N  N   . THR A 1 91  ? 19.709 -0.421  53.881 1.00 10.82 ? 91  THR A N   1 ? 
ATOM   819  C  CA  . THR A 1 91  ? 18.401 -0.248  53.277 1.00 11.60 ? 91  THR A CA  1 ? 
ATOM   820  C  C   . THR A 1 91  ? 18.485 0.609   52.024 1.00 10.83 ? 91  THR A C   1 ? 
ATOM   821  O  O   . THR A 1 91  ? 19.520 1.240   51.736 1.00 10.60 ? 91  THR A O   1 ? 
ATOM   822  C  CB  . THR A 1 91  ? 17.468 0.413   54.295 1.00 13.14 ? 91  THR A CB  1 ? 
ATOM   823  O  OG1 . THR A 1 91  ? 17.984 1.698   54.609 1.00 12.13 ? 91  THR A OG1 1 ? 
ATOM   824  C  CG2 . THR A 1 91  ? 17.407 -0.313  55.622 1.00 13.68 ? 91  THR A CG2 1 ? 
ATOM   825  N  N   . THR A 1 92  ? 17.360 0.731   51.306 1.00 11.42 ? 92  THR A N   1 ? 
ATOM   826  C  CA  . THR A 1 92  ? 17.285 1.679   50.202 1.00 9.94  ? 92  THR A CA  1 ? 
ATOM   827  C  C   . THR A 1 92  ? 17.626 3.075   50.690 1.00 10.18 ? 92  THR A C   1 ? 
ATOM   828  O  O   . THR A 1 92  ? 18.300 3.820   49.979 1.00 10.81 ? 92  THR A O   1 ? 
ATOM   829  C  CB  . THR A 1 92  ? 15.904 1.678   49.537 1.00 10.36 ? 92  THR A CB  1 ? 
ATOM   830  O  OG1 . THR A 1 92  ? 15.615 0.334   49.115 1.00 10.58 ? 92  THR A OG1 1 ? 
ATOM   831  C  CG2 . THR A 1 92  ? 15.901 2.538   48.288 1.00 10.36 ? 92  THR A CG2 1 ? 
ATOM   832  N  N   . LEU A 1 93  ? 17.124 3.446   51.890 1.00 9.78  ? 93  LEU A N   1 ? 
ATOM   833  C  CA  . LEU A 1 93  ? 17.388 4.759   52.472 1.00 9.83  ? 93  LEU A CA  1 ? 
ATOM   834  C  C   . LEU A 1 93  ? 18.892 4.942   52.666 1.00 10.66 ? 93  LEU A C   1 ? 
ATOM   835  O  O   . LEU A 1 93  ? 19.395 5.991   52.275 1.00 11.81 ? 93  LEU A O   1 ? 
ATOM   836  C  CB  . LEU A 1 93  ? 16.658 4.919   53.792 1.00 10.72 ? 93  LEU A CB  1 ? 
ATOM   837  C  CG  . LEU A 1 93  ? 16.816 6.263   54.493 1.00 13.68 ? 93  LEU A CG  1 ? 
ATOM   838  C  CD1 . LEU A 1 93  ? 16.531 7.423   53.553 1.00 14.29 ? 93  LEU A CD1 1 ? 
ATOM   839  C  CD2 . LEU A 1 93  ? 15.902 6.256   55.722 1.00 15.84 ? 93  LEU A CD2 1 ? 
ATOM   840  N  N   . ASP A 1 94  ? 19.543 3.943   53.266 1.00 10.18 ? 94  ASP A N   1 ? 
ATOM   841  C  CA  . ASP A 1 94  ? 20.986 4.024   53.493 1.00 10.43 ? 94  ASP A CA  1 ? 
ATOM   842  C  C   . ASP A 1 94  ? 21.713 4.238   52.181 1.00 10.64 ? 94  ASP A C   1 ? 
ATOM   843  O  O   . ASP A 1 94  ? 22.657 5.045   52.094 1.00 10.74 ? 94  ASP A O   1 ? 
ATOM   844  C  CB  . ASP A 1 94  ? 21.520 2.781   54.176 1.00 11.52 ? 94  ASP A CB  1 ? 
ATOM   845  C  CG  . ASP A 1 94  ? 21.049 2.545   55.605 1.00 14.00 ? 94  ASP A CG  1 ? 
ATOM   846  O  OD1 . ASP A 1 94  ? 20.962 3.556   56.333 1.00 17.44 ? 94  ASP A OD1 1 ? 
ATOM   847  O  OD2 . ASP A 1 94  ? 20.877 1.347   55.981 1.00 13.19 ? 94  ASP A OD2 1 ? 
ATOM   848  N  N   . ALA A 1 95  ? 21.310 3.472   51.174 1.00 9.46  ? 95  ALA A N   1 ? 
ATOM   849  C  CA  . ALA A 1 95  ? 21.966 3.496   49.892 1.00 9.80  ? 95  ALA A CA  1 ? 
ATOM   850  C  C   . ALA A 1 95  ? 21.754 4.843   49.198 1.00 10.54 ? 95  ALA A C   1 ? 
ATOM   851  O  O   . ALA A 1 95  ? 22.674 5.410   48.596 1.00 10.74 ? 95  ALA A O   1 ? 
ATOM   852  C  CB  . ALA A 1 95  ? 21.458 2.360   49.052 1.00 9.64  ? 95  ALA A CB  1 ? 
ATOM   853  N  N   . MET A 1 96  ? 20.519 5.349   49.237 1.00 10.09 ? 96  MET A N   1 ? 
ATOM   854  C  CA  . MET A 1 96  ? 20.269 6.625   48.574 1.00 9.91  ? 96  MET A CA  1 ? 
ATOM   855  C  C   . MET A 1 96  ? 20.998 7.776   49.300 1.00 10.99 ? 96  MET A C   1 ? 
ATOM   856  O  O   . MET A 1 96  ? 21.496 8.695   48.660 1.00 11.71 ? 96  MET A O   1 ? 
ATOM   857  C  CB  . MET A 1 96  ? 18.764 6.902   48.481 1.00 10.17 ? 96  MET A CB  1 ? 
ATOM   858  C  CG  . MET A 1 96  ? 18.407 7.994   47.500 1.00 11.30 ? 96  MET A CG  1 ? 
ATOM   859  S  SD  . MET A 1 96  ? 18.628 7.551   45.789 1.00 13.12 ? 96  MET A SD  1 ? 
ATOM   860  C  CE  . MET A 1 96  ? 17.422 6.229   45.608 1.00 12.94 ? 96  MET A CE  1 ? 
ATOM   861  N  N   . LYS A 1 97  ? 21.142 7.695   50.617 1.00 11.05 ? 97  LYS A N   1 ? 
ATOM   862  C  CA  . LYS A 1 97  ? 21.924 8.680   51.362 1.00 13.31 ? 97  LYS A CA  1 ? 
ATOM   863  C  C   . LYS A 1 97  ? 23.394 8.592   50.934 1.00 13.39 ? 97  LYS A C   1 ? 
ATOM   864  O  O   . LYS A 1 97  ? 24.036 9.620   50.718 1.00 12.85 ? 97  LYS A O   1 ? 
ATOM   865  C  CB  . LYS A 1 97  ? 21.824 8.488   52.869 1.00 13.73 ? 97  LYS A CB  1 ? 
ATOM   866  C  CG  . LYS A 1 97  ? 20.524 9.016   53.525 1.00 16.58 ? 97  LYS A CG  1 ? 
ATOM   867  C  CD  . LYS A 1 97  ? 20.491 8.649   55.001 1.00 20.36 ? 97  LYS A CD  1 ? 
ATOM   868  C  CE  . LYS A 1 97  ? 19.396 9.289   55.796 1.00 28.02 ? 97  LYS A CE  1 ? 
ATOM   869  N  NZ  . LYS A 1 97  ? 19.082 8.452   56.986 1.00 36.76 ? 97  LYS A NZ  1 ? 
ATOM   870  N  N   . ALA A 1 98  ? 23.928 7.371   50.800 1.00 10.97 ? 98  ALA A N   1 ? 
ATOM   871  C  CA  . ALA A 1 98  ? 25.325 7.240   50.364 1.00 11.02 ? 98  ALA A CA  1 ? 
ATOM   872  C  C   . ALA A 1 98  ? 25.496 7.796   48.960 1.00 11.01 ? 98  ALA A C   1 ? 
ATOM   873  O  O   . ALA A 1 98  ? 26.509 8.420   48.645 1.00 10.84 ? 98  ALA A O   1 ? 
ATOM   874  C  CB  . ALA A 1 98  ? 25.795 5.805   50.472 1.00 11.58 ? 98  ALA A CB  1 ? 
ATOM   875  N  N   . ALA A 1 99  ? 24.527 7.557   48.087 1.00 10.41 ? 99  ALA A N   1 ? 
ATOM   876  C  CA  . ALA A 1 99  ? 24.576 8.041   46.724 1.00 11.03 ? 99  ALA A CA  1 ? 
ATOM   877  C  C   . ALA A 1 99  ? 24.593 9.577   46.660 1.00 11.32 ? 99  ALA A C   1 ? 
ATOM   878  O  O   . ALA A 1 99  ? 25.330 10.163  45.873 1.00 11.09 ? 99  ALA A O   1 ? 
ATOM   879  C  CB  . ALA A 1 99  ? 23.427 7.461   45.968 1.00 11.89 ? 99  ALA A CB  1 ? 
ATOM   880  N  N   A ILE A 1 100 ? 23.764 10.244  47.473 0.64 11.64 ? 100 ILE A N   1 ? 
ATOM   881  N  N   B ILE A 1 100 ? 23.764 10.251  47.468 0.36 11.43 ? 100 ILE A N   1 ? 
ATOM   882  C  CA  A ILE A 1 100 ? 23.735 11.689  47.391 0.64 11.37 ? 100 ILE A CA  1 ? 
ATOM   883  C  CA  B ILE A 1 100 ? 23.763 11.705  47.452 0.36 11.21 ? 100 ILE A CA  1 ? 
ATOM   884  C  C   A ILE A 1 100 ? 25.058 12.271  47.954 0.64 10.74 ? 100 ILE A C   1 ? 
ATOM   885  C  C   B ILE A 1 100 ? 25.112 12.246  47.920 0.36 10.78 ? 100 ILE A C   1 ? 
ATOM   886  O  O   A ILE A 1 100 ? 25.592 13.267  47.429 0.64 11.70 ? 100 ILE A O   1 ? 
ATOM   887  O  O   B ILE A 1 100 ? 25.638 13.214  47.350 0.36 11.21 ? 100 ILE A O   1 ? 
ATOM   888  C  CB  A ILE A 1 100 ? 22.429 12.242  47.992 0.64 11.22 ? 100 ILE A CB  1 ? 
ATOM   889  C  CB  B ILE A 1 100 ? 22.621 12.274  48.294 0.36 11.10 ? 100 ILE A CB  1 ? 
ATOM   890  C  CG1 A ILE A 1 100 ? 22.099 13.543  47.266 0.64 13.22 ? 100 ILE A CG1 1 ? 
ATOM   891  C  CG1 B ILE A 1 100 ? 21.369 12.116  47.523 0.36 11.05 ? 100 ILE A CG1 1 ? 
ATOM   892  C  CG2 A ILE A 1 100 ? 22.533 12.402  49.501 0.64 10.55 ? 100 ILE A CG2 1 ? 
ATOM   893  C  CG2 B ILE A 1 100 ? 22.902 13.735  48.643 0.36 11.45 ? 100 ILE A CG2 1 ? 
ATOM   894  C  CD1 A ILE A 1 100 ? 20.812 14.220  47.711 0.64 12.81 ? 100 ILE A CD1 1 ? 
ATOM   895  C  CD1 B ILE A 1 100 ? 20.136 12.385  48.327 0.36 11.78 ? 100 ILE A CD1 1 ? 
ATOM   896  N  N   . VAL A 1 101 ? 25.642 11.633  48.976 1.00 10.58 ? 101 VAL A N   1 ? 
ATOM   897  C  CA  . VAL A 1 101 ? 26.957 12.019  49.498 1.00 11.55 ? 101 VAL A CA  1 ? 
ATOM   898  C  C   . VAL A 1 101 ? 27.990 11.913  48.363 1.00 11.84 ? 101 VAL A C   1 ? 
ATOM   899  O  O   . VAL A 1 101 ? 28.803 12.831  48.116 1.00 11.69 ? 101 VAL A O   1 ? 
ATOM   900  C  CB  . VAL A 1 101 ? 27.370 11.207  50.733 1.00 13.58 ? 101 VAL A CB  1 ? 
ATOM   901  C  CG1 . VAL A 1 101 ? 28.854 11.406  51.075 1.00 13.83 ? 101 VAL A CG1 1 ? 
ATOM   902  C  CG2 . VAL A 1 101 ? 26.491 11.565  51.925 1.00 13.62 ? 101 VAL A CG2 1 ? 
ATOM   903  N  N   . LEU A 1 102 ? 27.978 10.805  47.653 1.00 10.19 ? 102 LEU A N   1 ? 
ATOM   904  C  CA  . LEU A 1 102 ? 28.872 10.567  46.530 1.00 10.45 ? 102 LEU A CA  1 ? 
ATOM   905  C  C   . LEU A 1 102 ? 28.700 11.634  45.454 1.00 10.70 ? 102 LEU A C   1 ? 
ATOM   906  O  O   . LEU A 1 102 ? 29.672 12.234  44.968 1.00 12.02 ? 102 LEU A O   1 ? 
ATOM   907  C  CB  . LEU A 1 102 ? 28.619 9.166   45.965 1.00 11.90 ? 102 LEU A CB  1 ? 
ATOM   908  C  CG  . LEU A 1 102 ? 29.394 8.766   44.724 1.00 12.26 ? 102 LEU A CG  1 ? 
ATOM   909  C  CD1 . LEU A 1 102 ? 30.890 8.891   44.933 1.00 14.75 ? 102 LEU A CD1 1 ? 
ATOM   910  C  CD2 . LEU A 1 102 ? 29.041 7.310   44.372 1.00 12.62 ? 102 LEU A CD2 1 ? 
ATOM   911  N  N   . GLU A 1 103 ? 27.455 11.897  45.077 1.00 10.67 ? 103 GLU A N   1 ? 
ATOM   912  C  CA  . GLU A 1 103 ? 27.194 12.870  44.026 1.00 10.72 ? 103 GLU A CA  1 ? 
ATOM   913  C  C   . GLU A 1 103 ? 27.639 14.286  44.440 1.00 10.91 ? 103 GLU A C   1 ? 
ATOM   914  O  O   . GLU A 1 103 ? 28.172 15.003  43.597 1.00 12.02 ? 103 GLU A O   1 ? 
ATOM   915  C  CB  . GLU A 1 103 ? 25.721 12.852  43.625 1.00 11.38 ? 103 GLU A CB  1 ? 
ATOM   916  C  CG  . GLU A 1 103 ? 25.334 11.608  42.857 1.00 12.34 ? 103 GLU A CG  1 ? 
ATOM   917  C  CD  . GLU A 1 103 ? 26.184 11.260  41.662 1.00 13.42 ? 103 GLU A CD  1 ? 
ATOM   918  O  OE1 . GLU A 1 103 ? 26.566 12.172  40.882 1.00 12.83 ? 103 GLU A OE1 1 ? 
ATOM   919  O  OE2 . GLU A 1 103 ? 26.439 10.063  41.364 1.00 14.54 ? 103 GLU A OE2 1 ? 
ATOM   920  N  N   . LYS A 1 104 ? 27.416 14.683  45.672 1.00 11.58 ? 104 LYS A N   1 ? 
ATOM   921  C  CA  A LYS A 1 104 ? 27.863 15.982  46.152 0.43 12.54 ? 104 LYS A CA  1 ? 
ATOM   922  C  CA  B LYS A 1 104 ? 27.865 15.981  46.154 0.57 12.91 ? 104 LYS A CA  1 ? 
ATOM   923  C  C   . LYS A 1 104 ? 29.385 16.080  46.055 1.00 12.62 ? 104 LYS A C   1 ? 
ATOM   924  O  O   . LYS A 1 104 ? 29.894 17.156  45.772 1.00 10.64 ? 104 LYS A O   1 ? 
ATOM   925  C  CB  A LYS A 1 104 ? 27.432 16.265  47.591 0.43 14.37 ? 104 LYS A CB  1 ? 
ATOM   926  C  CB  B LYS A 1 104 ? 27.425 16.268  47.589 0.57 15.59 ? 104 LYS A CB  1 ? 
ATOM   927  C  CG  A LYS A 1 104 ? 25.954 16.597  47.703 0.43 17.34 ? 104 LYS A CG  1 ? 
ATOM   928  C  CG  B LYS A 1 104 ? 26.002 16.789  47.580 0.57 20.05 ? 104 LYS A CG  1 ? 
ATOM   929  C  CD  A LYS A 1 104 ? 25.587 16.716  49.171 0.43 18.32 ? 104 LYS A CD  1 ? 
ATOM   930  C  CD  B LYS A 1 104 ? 25.368 16.654  48.948 0.57 22.61 ? 104 LYS A CD  1 ? 
ATOM   931  C  CE  A LYS A 1 104 ? 24.114 16.817  49.350 0.43 20.11 ? 104 LYS A CE  1 ? 
ATOM   932  C  CE  B LYS A 1 104 ? 24.130 17.477  49.006 0.57 25.35 ? 104 LYS A CE  1 ? 
ATOM   933  N  NZ  A LYS A 1 104 ? 23.786 17.079  50.744 0.43 18.56 ? 104 LYS A NZ  1 ? 
ATOM   934  N  NZ  B LYS A 1 104 ? 24.382 18.764  49.644 0.57 24.11 ? 104 LYS A NZ  1 ? 
ATOM   935  N  N   . SER A 1 105 ? 30.081 14.966  46.323 1.00 11.12 ? 105 SER A N   1 ? 
ATOM   936  C  CA  . SER A 1 105 ? 31.543 14.973  46.198 1.00 10.70 ? 105 SER A CA  1 ? 
ATOM   937  C  C   . SER A 1 105 ? 31.976 15.143  44.739 1.00 10.83 ? 105 SER A C   1 ? 
ATOM   938  O  O   . SER A 1 105 ? 32.956 15.883  44.429 1.00 11.01 ? 105 SER A O   1 ? 
ATOM   939  C  CB  . SER A 1 105 ? 32.158 13.704  46.839 1.00 11.49 ? 105 SER A CB  1 ? 
ATOM   940  O  OG  . SER A 1 105 ? 32.061 12.542  45.984 1.00 14.44 ? 105 SER A OG  1 ? 
ATOM   941  N  N   . LEU A 1 106 ? 31.286 14.511  43.786 1.00 10.57 ? 106 LEU A N   1 ? 
ATOM   942  C  CA  . LEU A 1 106 ? 31.610 14.654  42.377 1.00 11.00 ? 106 LEU A CA  1 ? 
ATOM   943  C  C   . LEU A 1 106 ? 31.303 16.099  41.954 1.00 11.18 ? 106 LEU A C   1 ? 
ATOM   944  O  O   . LEU A 1 106 ? 32.100 16.725  41.245 1.00 10.30 ? 106 LEU A O   1 ? 
ATOM   945  C  CB  . LEU A 1 106 ? 30.825 13.675  41.508 1.00 11.72 ? 106 LEU A CB  1 ? 
ATOM   946  C  CG  . LEU A 1 106 ? 31.112 12.188  41.703 1.00 13.94 ? 106 LEU A CG  1 ? 
ATOM   947  C  CD1 . LEU A 1 106 ? 30.310 11.352  40.721 1.00 15.17 ? 106 LEU A CD1 1 ? 
ATOM   948  C  CD2 . LEU A 1 106 ? 32.618 11.922  41.589 1.00 15.06 ? 106 LEU A CD2 1 ? 
ATOM   949  N  N   . ASN A 1 107 ? 30.172 16.633  42.418 1.00 10.92 ? 107 ASN A N   1 ? 
ATOM   950  C  CA  . ASN A 1 107 ? 29.772 18.001  42.096 1.00 10.32 ? 107 ASN A CA  1 ? 
ATOM   951  C  C   . ASN A 1 107 ? 30.816 19.009  42.592 1.00 9.86  ? 107 ASN A C   1 ? 
ATOM   952  O  O   . ASN A 1 107 ? 31.197 19.913  41.844 1.00 8.91  ? 107 ASN A O   1 ? 
ATOM   953  C  CB  . ASN A 1 107 ? 28.384 18.319  42.635 1.00 10.80 ? 107 ASN A CB  1 ? 
ATOM   954  C  CG  . ASN A 1 107 ? 27.744 19.493  41.945 1.00 10.35 ? 107 ASN A CG  1 ? 
ATOM   955  O  OD1 . ASN A 1 107 ? 27.906 19.637  40.747 1.00 11.27 ? 107 ASN A OD1 1 ? 
ATOM   956  N  ND2 . ASN A 1 107 ? 26.957 20.218  42.682 1.00 11.62 ? 107 ASN A ND2 1 ? 
ATOM   957  N  N   . GLN A 1 108 ? 31.302 18.825  43.820 1.00 9.57  ? 108 GLN A N   1 ? 
ATOM   958  C  CA  . GLN A 1 108 ? 32.311 19.721  44.318 1.00 9.85  ? 108 GLN A CA  1 ? 
ATOM   959  C  C   . GLN A 1 108 ? 33.593 19.617  43.483 1.00 9.01  ? 108 GLN A C   1 ? 
ATOM   960  O  O   . GLN A 1 108 ? 34.224 20.633  43.206 1.00 8.98  ? 108 GLN A O   1 ? 
ATOM   961  C  CB  . GLN A 1 108 ? 32.588 19.520  45.803 1.00 10.31 ? 108 GLN A CB  1 ? 
ATOM   962  C  CG  . GLN A 1 108 ? 33.450 20.639  46.370 1.00 11.35 ? 108 GLN A CG  1 ? 
ATOM   963  C  CD  . GLN A 1 108 ? 32.809 22.002  46.296 1.00 13.11 ? 108 GLN A CD  1 ? 
ATOM   964  O  OE1 . GLN A 1 108 ? 31.665 22.191  46.744 1.00 13.92 ? 108 GLN A OE1 1 ? 
ATOM   965  N  NE2 . GLN A 1 108 ? 33.442 22.936  45.613 1.00 13.64 ? 108 GLN A NE2 1 ? 
ATOM   966  N  N   . ALA A 1 109 ? 33.955 18.401  43.056 1.00 8.92  ? 109 ALA A N   1 ? 
ATOM   967  C  CA  . ALA A 1 109 ? 35.129 18.230  42.190 1.00 9.03  ? 109 ALA A CA  1 ? 
ATOM   968  C  C   . ALA A 1 109 ? 34.946 18.944  40.857 1.00 9.84  ? 109 ALA A C   1 ? 
ATOM   969  O  O   . ALA A 1 109 ? 35.876 19.579  40.335 1.00 9.50  ? 109 ALA A O   1 ? 
ATOM   970  C  CB  . ALA A 1 109 ? 35.471 16.774  42.043 1.00 8.90  ? 109 ALA A CB  1 ? 
ATOM   971  N  N   . LEU A 1 110 ? 33.740 18.866  40.284 1.00 8.77  ? 110 LEU A N   1 ? 
ATOM   972  C  CA  . LEU A 1 110 ? 33.408 19.604  39.068 1.00 9.21  ? 110 LEU A CA  1 ? 
ATOM   973  C  C   . LEU A 1 110 ? 33.574 21.113  39.285 1.00 9.50  ? 110 LEU A C   1 ? 
ATOM   974  O  O   . LEU A 1 110 ? 34.111 21.799  38.404 1.00 9.20  ? 110 LEU A O   1 ? 
ATOM   975  C  CB  . LEU A 1 110 ? 31.981 19.298  38.610 1.00 10.02 ? 110 LEU A CB  1 ? 
ATOM   976  C  CG  . LEU A 1 110 ? 31.735 17.900  38.050 1.00 10.69 ? 110 LEU A CG  1 ? 
ATOM   977  C  CD1 . LEU A 1 110 ? 30.235 17.743  37.911 1.00 11.69 ? 110 LEU A CD1 1 ? 
ATOM   978  C  CD2 . LEU A 1 110 ? 32.422 17.671  36.735 1.00 12.41 ? 110 LEU A CD2 1 ? 
ATOM   979  N  N   . LEU A 1 111 ? 33.012 21.636  40.374 1.00 9.57  ? 111 LEU A N   1 ? 
ATOM   980  C  CA  . LEU A 1 111 ? 33.068 23.060  40.645 1.00 9.74  ? 111 LEU A CA  1 ? 
ATOM   981  C  C   . LEU A 1 111 ? 34.514 23.486  40.869 1.00 10.20 ? 111 LEU A C   1 ? 
ATOM   982  O  O   . LEU A 1 111 ? 34.920 24.570  40.436 1.00 10.08 ? 111 LEU A O   1 ? 
ATOM   983  C  CB  . LEU A 1 111 ? 32.196 23.364  41.867 1.00 10.21 ? 111 LEU A CB  1 ? 
ATOM   984  C  CG  . LEU A 1 111 ? 30.694 23.137  41.670 1.00 11.05 ? 111 LEU A CG  1 ? 
ATOM   985  C  CD1 . LEU A 1 111 ? 29.973 23.330  42.988 1.00 12.33 ? 111 LEU A CD1 1 ? 
ATOM   986  C  CD2 . LEU A 1 111 ? 30.199 24.123  40.584 1.00 12.56 ? 111 LEU A CD2 1 ? 
ATOM   987  N  N   . ASP A 1 112 ? 35.293 22.648  41.546 1.00 9.78  ? 112 ASP A N   1 ? 
ATOM   988  C  CA  . ASP A 1 112 ? 36.701 22.977  41.768 1.00 10.07 ? 112 ASP A CA  1 ? 
ATOM   989  C  C   . ASP A 1 112 ? 37.476 23.041  40.444 1.00 9.66  ? 112 ASP A C   1 ? 
ATOM   990  O  O   . ASP A 1 112 ? 38.305 23.983  40.241 1.00 10.39 ? 112 ASP A O   1 ? 
ATOM   991  C  CB  . ASP A 1 112 ? 37.339 21.990  42.732 1.00 10.82 ? 112 ASP A CB  1 ? 
ATOM   992  C  CG  . ASP A 1 112 ? 36.839 22.019  44.163 1.00 13.35 ? 112 ASP A CG  1 ? 
ATOM   993  O  OD1 . ASP A 1 112 ? 36.172 22.963  44.538 1.00 12.53 ? 112 ASP A OD1 1 ? 
ATOM   994  O  OD2 . ASP A 1 112 ? 37.162 21.076  44.898 1.00 14.95 ? 112 ASP A OD2 1 ? 
ATOM   995  N  N   . LEU A 1 113 ? 37.211 22.063  39.552 1.00 10.18 ? 113 LEU A N   1 ? 
ATOM   996  C  CA  . LEU A 1 113 ? 37.881 22.085  38.257 1.00 9.71  ? 113 LEU A CA  1 ? 
ATOM   997  C  C   . LEU A 1 113 ? 37.430 23.300  37.459 1.00 10.12 ? 113 LEU A C   1 ? 
ATOM   998  O  O   . LEU A 1 113 ? 38.243 23.880  36.738 1.00 10.93 ? 113 LEU A O   1 ? 
ATOM   999  C  CB  . LEU A 1 113 ? 37.626 20.797  37.504 1.00 10.56 ? 113 LEU A CB  1 ? 
ATOM   1000 C  CG  . LEU A 1 113 ? 38.249 20.670  36.127 1.00 9.88  ? 113 LEU A CG  1 ? 
ATOM   1001 C  CD1 . LEU A 1 113 ? 39.759 20.899  36.225 1.00 10.67 ? 113 LEU A CD1 1 ? 
ATOM   1002 C  CD2 . LEU A 1 113 ? 37.949 19.288  35.555 1.00 11.31 ? 113 LEU A CD2 1 ? 
ATOM   1003 N  N   . HIS A 1 114 ? 36.139 23.650  37.520 1.00 9.75  ? 114 HIS A N   1 ? 
ATOM   1004 C  CA  . HIS A 1 114 ? 35.668 24.811  36.791 1.00 10.08 ? 114 HIS A CA  1 ? 
ATOM   1005 C  C   . HIS A 1 114 ? 36.390 26.059  37.306 1.00 10.14 ? 114 HIS A C   1 ? 
ATOM   1006 O  O   . HIS A 1 114 ? 36.767 26.945  36.515 1.00 11.56 ? 114 HIS A O   1 ? 
ATOM   1007 C  CB  . HIS A 1 114 ? 34.140 24.921  36.926 1.00 11.10 ? 114 HIS A CB  1 ? 
ATOM   1008 C  CG  . HIS A 1 114 ? 33.583 26.005  36.072 1.00 11.73 ? 114 HIS A CG  1 ? 
ATOM   1009 N  ND1 . HIS A 1 114 ? 33.682 27.363  36.345 1.00 12.42 ? 114 HIS A ND1 1 ? 
ATOM   1010 C  CD2 . HIS A 1 114 ? 32.903 25.924  34.901 1.00 11.34 ? 114 HIS A CD2 1 ? 
ATOM   1011 C  CE1 . HIS A 1 114 ? 33.100 28.035  35.347 1.00 11.79 ? 114 HIS A CE1 1 ? 
ATOM   1012 N  NE2 . HIS A 1 114 ? 32.629 27.216  34.456 1.00 10.90 ? 114 HIS A NE2 1 ? 
ATOM   1013 N  N   . ALA A 1 115 ? 36.600 26.146  38.620 1.00 10.14 ? 115 ALA A N   1 ? 
ATOM   1014 C  CA  . ALA A 1 115 ? 37.262 27.317  39.178 1.00 11.05 ? 115 ALA A CA  1 ? 
ATOM   1015 C  C   . ALA A 1 115 ? 38.711 27.366  38.715 1.00 11.55 ? 115 ALA A C   1 ? 
ATOM   1016 O  O   . ALA A 1 115 ? 39.237 28.456  38.463 1.00 12.57 ? 115 ALA A O   1 ? 
ATOM   1017 C  CB  . ALA A 1 115 ? 37.155 27.309  40.696 1.00 10.40 ? 115 ALA A CB  1 ? 
ATOM   1018 N  N   . LEU A 1 116 ? 39.372 26.214  38.653 1.00 11.48 ? 116 LEU A N   1 ? 
ATOM   1019 C  CA  . LEU A 1 116 ? 40.747 26.164  38.145 1.00 11.56 ? 116 LEU A CA  1 ? 
ATOM   1020 C  C   . LEU A 1 116 ? 40.783 26.621  36.700 1.00 11.23 ? 116 LEU A C   1 ? 
ATOM   1021 O  O   . LEU A 1 116 ? 41.656 27.416  36.310 1.00 12.40 ? 116 LEU A O   1 ? 
ATOM   1022 C  CB  . LEU A 1 116 ? 41.266 24.745  38.319 1.00 13.05 ? 116 LEU A CB  1 ? 
ATOM   1023 C  CG  . LEU A 1 116 ? 42.676 24.500  37.776 1.00 13.88 ? 116 LEU A CG  1 ? 
ATOM   1024 C  CD1 . LEU A 1 116 ? 43.766 25.302  38.464 1.00 14.91 ? 116 LEU A CD1 1 ? 
ATOM   1025 C  CD2 . LEU A 1 116 ? 43.022 23.058  37.865 1.00 14.79 ? 116 LEU A CD2 1 ? 
ATOM   1026 N  N   . GLY A 1 117 ? 39.865 26.099  35.901 1.00 11.22 ? 117 GLY A N   1 ? 
ATOM   1027 C  CA  . GLY A 1 117 ? 39.824 26.535  34.525 1.00 11.70 ? 117 GLY A CA  1 ? 
ATOM   1028 C  C   . GLY A 1 117 ? 39.614 28.031  34.375 1.00 12.17 ? 117 GLY A C   1 ? 
ATOM   1029 O  O   . GLY A 1 117 ? 40.203 28.700  33.519 1.00 12.48 ? 117 GLY A O   1 ? 
ATOM   1030 N  N   . SER A 1 118 ? 38.717 28.582  35.177 1.00 11.68 ? 118 SER A N   1 ? 
ATOM   1031 C  CA  A SER A 1 118 ? 38.472 30.007  35.126 0.64 13.18 ? 118 SER A CA  1 ? 
ATOM   1032 C  CA  B SER A 1 118 ? 38.458 30.007  35.193 0.36 12.49 ? 118 SER A CA  1 ? 
ATOM   1033 C  C   . SER A 1 118 ? 39.745 30.764  35.520 1.00 13.31 ? 118 SER A C   1 ? 
ATOM   1034 O  O   . SER A 1 118 ? 40.110 31.732  34.849 1.00 13.95 ? 118 SER A O   1 ? 
ATOM   1035 C  CB  A SER A 1 118 ? 37.291 30.413  35.961 0.64 15.24 ? 118 SER A CB  1 ? 
ATOM   1036 C  CB  B SER A 1 118 ? 37.370 30.321  36.188 0.36 12.90 ? 118 SER A CB  1 ? 
ATOM   1037 O  OG  A SER A 1 118 ? 37.042 31.806  35.797 0.64 15.25 ? 118 SER A OG  1 ? 
ATOM   1038 O  OG  B SER A 1 118 ? 36.162 29.647  35.862 0.36 12.17 ? 118 SER A OG  1 ? 
ATOM   1039 N  N   . ALA A 1 119 ? 40.423 30.342  36.581 1.00 13.18 ? 119 ALA A N   1 ? 
ATOM   1040 C  CA  . ALA A 1 119 ? 41.669 31.002  37.005 1.00 13.56 ? 119 ALA A CA  1 ? 
ATOM   1041 C  C   . ALA A 1 119 ? 42.731 30.958  35.913 1.00 15.64 ? 119 ALA A C   1 ? 
ATOM   1042 O  O   . ALA A 1 119 ? 43.536 31.905  35.783 1.00 17.69 ? 119 ALA A O   1 ? 
ATOM   1043 C  CB  . ALA A 1 119 ? 42.203 30.359  38.229 1.00 14.04 ? 119 ALA A CB  1 ? 
ATOM   1044 N  N   . GLN A 1 120 ? 42.779 29.835  35.189 1.00 13.09 ? 120 GLN A N   1 ? 
ATOM   1045 C  CA  . GLN A 1 120 ? 43.731 29.619  34.099 1.00 12.21 ? 120 GLN A CA  1 ? 
ATOM   1046 C  C   . GLN A 1 120 ? 43.254 30.227  32.754 1.00 12.98 ? 120 GLN A C   1 ? 
ATOM   1047 O  O   . GLN A 1 120 ? 43.944 30.032  31.742 1.00 14.76 ? 120 GLN A O   1 ? 
ATOM   1048 C  CB  . GLN A 1 120 ? 44.018 28.129  33.910 1.00 13.22 ? 120 GLN A CB  1 ? 
ATOM   1049 C  CG  . GLN A 1 120 ? 44.734 27.421  35.074 1.00 15.67 ? 120 GLN A CG  1 ? 
ATOM   1050 C  CD  . GLN A 1 120 ? 46.210 27.715  35.161 1.00 22.86 ? 120 GLN A CD  1 ? 
ATOM   1051 O  OE1 . GLN A 1 120 ? 46.851 28.085  34.157 1.00 24.13 ? 120 GLN A OE1 1 ? 
ATOM   1052 N  NE2 . GLN A 1 120 ? 46.745 27.627  36.374 1.00 26.51 ? 120 GLN A NE2 1 ? 
ATOM   1053 N  N   . ALA A 1 121 ? 42.087 30.884  32.721 1.00 12.08 ? 121 ALA A N   1 ? 
ATOM   1054 C  CA  . ALA A 1 121 ? 41.549 31.480  31.512 1.00 11.95 ? 121 ALA A CA  1 ? 
ATOM   1055 C  C   . ALA A 1 121 ? 41.469 30.420  30.423 1.00 11.31 ? 121 ALA A C   1 ? 
ATOM   1056 O  O   . ALA A 1 121 ? 41.990 30.606  29.318 1.00 11.00 ? 121 ALA A O   1 ? 
ATOM   1057 C  CB  . ALA A 1 121 ? 42.404 32.644  31.062 1.00 13.65 ? 121 ALA A CB  1 ? 
ATOM   1058 N  N   . ASP A 1 122 ? 40.800 29.307  30.757 1.00 9.71  ? 122 ASP A N   1 ? 
ATOM   1059 C  CA  . ASP A 1 122 ? 40.624 28.159  29.879 1.00 9.89  ? 122 ASP A CA  1 ? 
ATOM   1060 C  C   . ASP A 1 122 ? 39.142 28.007  29.575 1.00 9.60  ? 122 ASP A C   1 ? 
ATOM   1061 O  O   . ASP A 1 122 ? 38.392 27.220  30.192 1.00 9.57  ? 122 ASP A O   1 ? 
ATOM   1062 C  CB  . ASP A 1 122 ? 41.136 26.876  30.500 1.00 9.53  ? 122 ASP A CB  1 ? 
ATOM   1063 C  CG  . ASP A 1 122 ? 41.193 25.683  29.559 1.00 9.09  ? 122 ASP A CG  1 ? 
ATOM   1064 O  OD1 . ASP A 1 122 ? 40.492 25.712  28.508 1.00 9.91  ? 122 ASP A OD1 1 ? 
ATOM   1065 O  OD2 . ASP A 1 122 ? 42.004 24.788  29.884 1.00 10.06 ? 122 ASP A OD2 1 ? 
ATOM   1066 N  N   . PRO A 1 123 ? 38.586 28.801  28.647 1.00 9.20  ? 123 PRO A N   1 ? 
ATOM   1067 C  CA  . PRO A 1 123 ? 37.147 28.799  28.427 1.00 9.95  ? 123 PRO A CA  1 ? 
ATOM   1068 C  C   . PRO A 1 123 ? 36.612 27.537  27.791 1.00 9.60  ? 123 PRO A C   1 ? 
ATOM   1069 O  O   . PRO A 1 123 ? 35.463 27.194  27.970 1.00 10.88 ? 123 PRO A O   1 ? 
ATOM   1070 C  CB  . PRO A 1 123 ? 36.916 30.064  27.531 1.00 10.83 ? 123 PRO A CB  1 ? 
ATOM   1071 C  CG  . PRO A 1 123 ? 38.256 30.229  26.836 1.00 11.31 ? 123 PRO A CG  1 ? 
ATOM   1072 C  CD  . PRO A 1 123 ? 39.271 29.882  27.908 1.00 10.34 ? 123 PRO A CD  1 ? 
ATOM   1073 N  N   . HIS A 1 124 ? 37.452 26.833  27.040 1.00 9.33  ? 124 HIS A N   1 ? 
ATOM   1074 C  CA  . HIS A 1 124 ? 36.971 25.574  26.457 1.00 8.91  ? 124 HIS A CA  1 ? 
ATOM   1075 C  C   . HIS A 1 124 ? 36.677 24.596  27.616 1.00 8.83  ? 124 HIS A C   1 ? 
ATOM   1076 O  O   . HIS A 1 124 ? 35.630 23.926  27.595 1.00 9.84  ? 124 HIS A O   1 ? 
ATOM   1077 C  CB  . HIS A 1 124 ? 37.956 25.004  25.452 1.00 9.84  ? 124 HIS A CB  1 ? 
ATOM   1078 C  CG  . HIS A 1 124 ? 37.463 23.734  24.898 1.00 10.87 ? 124 HIS A CG  1 ? 
ATOM   1079 N  ND1 . HIS A 1 124 ? 37.614 22.501  25.489 1.00 11.40 ? 124 HIS A ND1 1 ? 
ATOM   1080 C  CD2 . HIS A 1 124 ? 36.798 23.508  23.706 1.00 11.90 ? 124 HIS A CD2 1 ? 
ATOM   1081 C  CE1 . HIS A 1 124 ? 37.015 21.592  24.726 1.00 11.38 ? 124 HIS A CE1 1 ? 
ATOM   1082 N  NE2 . HIS A 1 124 ? 36.537 22.159  23.619 1.00 11.37 ? 124 HIS A NE2 1 ? 
ATOM   1083 N  N   . LEU A 1 125 ? 37.550 24.547  28.628 1.00 9.32  ? 125 LEU A N   1 ? 
ATOM   1084 C  CA  A LEU A 1 125 ? 37.376 23.646  29.768 0.61 9.51  ? 125 LEU A CA  1 ? 
ATOM   1085 C  CA  B LEU A 1 125 ? 37.357 23.632  29.749 0.39 9.46  ? 125 LEU A CA  1 ? 
ATOM   1086 C  C   . LEU A 1 125 ? 36.097 24.035  30.511 1.00 10.24 ? 125 LEU A C   1 ? 
ATOM   1087 O  O   . LEU A 1 125 ? 35.236 23.207  30.824 1.00 9.48  ? 125 LEU A O   1 ? 
ATOM   1088 C  CB  A LEU A 1 125 ? 38.642 23.680  30.637 0.61 9.36  ? 125 LEU A CB  1 ? 
ATOM   1089 C  CB  B LEU A 1 125 ? 38.566 23.570  30.679 0.39 9.21  ? 125 LEU A CB  1 ? 
ATOM   1090 C  CG  A LEU A 1 125 ? 38.636 22.876  31.943 0.61 9.94  ? 125 LEU A CG  1 ? 
ATOM   1091 C  CG  B LEU A 1 125 ? 38.411 22.632  31.881 0.39 9.27  ? 125 LEU A CG  1 ? 
ATOM   1092 C  CD1 A LEU A 1 125 ? 37.796 23.466  33.058 0.61 10.24 ? 125 LEU A CD1 1 ? 
ATOM   1093 C  CD1 B LEU A 1 125 ? 38.816 21.236  31.452 0.39 8.73  ? 125 LEU A CD1 1 ? 
ATOM   1094 C  CD2 A LEU A 1 125 ? 38.233 21.449  31.620 0.61 9.13  ? 125 LEU A CD2 1 ? 
ATOM   1095 C  CD2 B LEU A 1 125 ? 39.231 23.108  33.067 0.39 9.52  ? 125 LEU A CD2 1 ? 
ATOM   1096 N  N   . CYS A 1 126 ? 35.939 25.326  30.767 1.00 10.33 ? 126 CYS A N   1 ? 
ATOM   1097 C  CA  . CYS A 1 126 ? 34.785 25.813  31.517 1.00 11.48 ? 126 CYS A CA  1 ? 
ATOM   1098 C  C   . CYS A 1 126 ? 33.511 25.456  30.794 1.00 12.33 ? 126 CYS A C   1 ? 
ATOM   1099 O  O   . CYS A 1 126 ? 32.577 24.963  31.436 1.00 12.78 ? 126 CYS A O   1 ? 
ATOM   1100 C  CB  . CYS A 1 126 ? 34.937 27.300  31.812 1.00 12.54 ? 126 CYS A CB  1 ? 
ATOM   1101 S  SG  . CYS A 1 126 ? 36.251 27.676  33.000 1.00 14.24 ? 126 CYS A SG  1 ? 
ATOM   1102 N  N   . ASP A 1 127 ? 33.447 25.757  29.491 1.00 12.57 ? 127 ASP A N   1 ? 
ATOM   1103 C  CA  . ASP A 1 127 ? 32.257 25.433  28.702 1.00 14.39 ? 127 ASP A CA  1 ? 
ATOM   1104 C  C   . ASP A 1 127 ? 31.987 23.924  28.668 1.00 11.98 ? 127 ASP A C   1 ? 
ATOM   1105 O  O   . ASP A 1 127 ? 30.832 23.491  28.700 1.00 12.08 ? 127 ASP A O   1 ? 
ATOM   1106 C  CB  . ASP A 1 127 ? 32.333 25.980  27.295 1.00 16.10 ? 127 ASP A CB  1 ? 
ATOM   1107 C  CG  . ASP A 1 127 ? 31.196 25.548  26.365 1.00 19.57 ? 127 ASP A CG  1 ? 
ATOM   1108 O  OD1 . ASP A 1 127 ? 30.108 26.034  26.623 1.00 28.38 ? 127 ASP A OD1 1 ? 
ATOM   1109 O  OD2 . ASP A 1 127 ? 31.419 24.614  25.605 1.00 26.19 ? 127 ASP A OD2 1 ? 
ATOM   1110 N  N   . PHE A 1 128 ? 33.053 23.114  28.582 1.00 10.43 ? 128 PHE A N   1 ? 
ATOM   1111 C  CA  . PHE A 1 128 ? 32.901 21.672  28.515 1.00 9.68  ? 128 PHE A CA  1 ? 
ATOM   1112 C  C   . PHE A 1 128 ? 32.200 21.181  29.778 1.00 10.11 ? 128 PHE A C   1 ? 
ATOM   1113 O  O   . PHE A 1 128 ? 31.243 20.393  29.722 1.00 9.83  ? 128 PHE A O   1 ? 
ATOM   1114 C  CB  . PHE A 1 128 ? 34.288 21.049  28.344 1.00 10.15 ? 128 PHE A CB  1 ? 
ATOM   1115 C  CG  . PHE A 1 128 ? 34.318 19.549  28.514 1.00 10.63 ? 128 PHE A CG  1 ? 
ATOM   1116 C  CD1 . PHE A 1 128 ? 34.024 18.695  27.457 1.00 12.67 ? 128 PHE A CD1 1 ? 
ATOM   1117 C  CD2 . PHE A 1 128 ? 34.607 18.995  29.761 1.00 11.92 ? 128 PHE A CD2 1 ? 
ATOM   1118 C  CE1 . PHE A 1 128 ? 34.026 17.311  27.643 1.00 12.45 ? 128 PHE A CE1 1 ? 
ATOM   1119 C  CE2 . PHE A 1 128 ? 34.665 17.621  29.893 1.00 13.82 ? 128 PHE A CE2 1 ? 
ATOM   1120 C  CZ  . PHE A 1 128 ? 34.317 16.806  28.862 1.00 12.90 ? 128 PHE A CZ  1 ? 
ATOM   1121 N  N   . LEU A 1 129 ? 32.628 21.672  30.941 1.00 9.35  ? 129 LEU A N   1 ? 
ATOM   1122 C  CA  . LEU A 1 129 ? 31.978 21.274  32.175 1.00 9.46  ? 129 LEU A CA  1 ? 
ATOM   1123 C  C   . LEU A 1 129 ? 30.543 21.772  32.269 1.00 10.65 ? 129 LEU A C   1 ? 
ATOM   1124 O  O   . LEU A 1 129 ? 29.644 21.044  32.679 1.00 10.39 ? 129 LEU A O   1 ? 
ATOM   1125 C  CB  . LEU A 1 129 ? 32.811 21.750  33.357 1.00 9.89  ? 129 LEU A CB  1 ? 
ATOM   1126 C  CG  . LEU A 1 129 ? 34.188 21.123  33.491 1.00 11.15 ? 129 LEU A CG  1 ? 
ATOM   1127 C  CD1 . LEU A 1 129 ? 34.919 21.783  34.637 1.00 11.95 ? 129 LEU A CD1 1 ? 
ATOM   1128 C  CD2 . LEU A 1 129 ? 34.130 19.627  33.657 1.00 11.80 ? 129 LEU A CD2 1 ? 
ATOM   1129 N  N   . GLU A 1 130 ? 30.322 23.017  31.900 1.00 12.60 ? 130 GLU A N   1 ? 
ATOM   1130 C  CA  . GLU A 1 130 ? 28.978 23.588  31.918 1.00 14.43 ? 130 GLU A CA  1 ? 
ATOM   1131 C  C   . GLU A 1 130 ? 28.031 22.798  31.033 1.00 15.66 ? 130 GLU A C   1 ? 
ATOM   1132 O  O   . GLU A 1 130 ? 26.882 22.547  31.428 1.00 17.33 ? 130 GLU A O   1 ? 
ATOM   1133 C  CB  . GLU A 1 130 ? 29.082 25.044  31.464 1.00 14.34 ? 130 GLU A CB  1 ? 
ATOM   1134 C  CG  . GLU A 1 130 ? 29.728 25.963  32.485 1.00 15.71 ? 130 GLU A CG  1 ? 
ATOM   1135 C  CD  . GLU A 1 130 ? 30.172 27.289  31.890 1.00 19.75 ? 130 GLU A CD  1 ? 
ATOM   1136 O  OE1 . GLU A 1 130 ? 29.716 27.624  30.755 1.00 22.95 ? 130 GLU A OE1 1 ? 
ATOM   1137 O  OE2 . GLU A 1 130 ? 31.078 27.928  32.480 1.00 17.99 ? 130 GLU A OE2 1 ? 
ATOM   1138 N  N   . SER A 1 131 ? 28.462 22.495  29.815 1.00 14.14 ? 131 SER A N   1 ? 
ATOM   1139 C  CA  . SER A 1 131 ? 27.608 21.907  28.785 1.00 15.37 ? 131 SER A CA  1 ? 
ATOM   1140 C  C   . SER A 1 131 ? 27.338 20.423  29.009 1.00 15.49 ? 131 SER A C   1 ? 
ATOM   1141 O  O   . SER A 1 131 ? 26.273 19.951  28.643 1.00 17.25 ? 131 SER A O   1 ? 
ATOM   1142 C  CB  . SER A 1 131 ? 28.239 22.117  27.395 1.00 19.74 ? 131 SER A CB  1 ? 
ATOM   1143 O  OG  . SER A 1 131 ? 28.365 23.528  27.176 1.00 24.65 ? 131 SER A OG  1 ? 
ATOM   1144 N  N   . HIS A 1 132 ? 28.285 19.680  29.598 1.00 14.02 ? 132 HIS A N   1 ? 
ATOM   1145 C  CA  . HIS A 1 132 ? 28.129 18.242  29.701 1.00 14.29 ? 132 HIS A CA  1 ? 
ATOM   1146 C  C   . HIS A 1 132 ? 28.052 17.685  31.122 1.00 13.45 ? 132 HIS A C   1 ? 
ATOM   1147 O  O   . HIS A 1 132 ? 27.771 16.510  31.295 1.00 15.55 ? 132 HIS A O   1 ? 
ATOM   1148 C  CB  . HIS A 1 132 ? 29.289 17.564  28.980 1.00 16.63 ? 132 HIS A CB  1 ? 
ATOM   1149 C  CG  . HIS A 1 132 ? 29.359 17.984  27.575 1.00 21.21 ? 132 HIS A CG  1 ? 
ATOM   1150 N  ND1 . HIS A 1 132 ? 28.297 17.715  26.736 1.00 24.72 ? 132 HIS A ND1 1 ? 
ATOM   1151 C  CD2 . HIS A 1 132 ? 30.272 18.680  26.871 1.00 23.87 ? 132 HIS A CD2 1 ? 
ATOM   1152 C  CE1 . HIS A 1 132 ? 28.597 18.199  25.527 1.00 26.68 ? 132 HIS A CE1 1 ? 
ATOM   1153 N  NE2 . HIS A 1 132 ? 29.787 18.787  25.591 1.00 26.24 ? 132 HIS A NE2 1 ? 
ATOM   1154 N  N   . PHE A 1 133 ? 28.342 18.478  32.173 1.00 11.10 ? 133 PHE A N   1 ? 
ATOM   1155 C  CA  . PHE A 1 133 ? 28.479 17.930  33.520 1.00 10.98 ? 133 PHE A CA  1 ? 
ATOM   1156 C  C   . PHE A 1 133 ? 27.657 18.667  34.570 1.00 11.71 ? 133 PHE A C   1 ? 
ATOM   1157 O  O   . PHE A 1 133 ? 26.955 18.017  35.352 1.00 11.87 ? 133 PHE A O   1 ? 
ATOM   1158 C  CB  . PHE A 1 133 ? 29.918 17.862  34.027 1.00 11.44 ? 133 PHE A CB  1 ? 
ATOM   1159 C  CG  . PHE A 1 133 ? 30.723 16.777  33.321 1.00 12.57 ? 133 PHE A CG  1 ? 
ATOM   1160 C  CD1 . PHE A 1 133 ? 31.284 16.985  32.090 1.00 13.13 ? 133 PHE A CD1 1 ? 
ATOM   1161 C  CD2 . PHE A 1 133 ? 30.858 15.538  33.911 1.00 15.09 ? 133 PHE A CD2 1 ? 
ATOM   1162 C  CE1 . PHE A 1 133 ? 31.926 15.949  31.447 1.00 13.86 ? 133 PHE A CE1 1 ? 
ATOM   1163 C  CE2 . PHE A 1 133 ? 31.567 14.523  33.289 1.00 13.93 ? 133 PHE A CE2 1 ? 
ATOM   1164 C  CZ  . PHE A 1 133 ? 32.038 14.709  32.045 1.00 12.37 ? 133 PHE A CZ  1 ? 
ATOM   1165 N  N   . LEU A 1 134 ? 27.717 20.002  34.607 1.00 12.58 ? 134 LEU A N   1 ? 
ATOM   1166 C  CA  . LEU A 1 134 ? 27.141 20.700  35.763 1.00 11.39 ? 134 LEU A CA  1 ? 
ATOM   1167 C  C   . LEU A 1 134 ? 25.619 20.526  35.884 1.00 10.71 ? 134 LEU A C   1 ? 
ATOM   1168 O  O   . LEU A 1 134 ? 25.145 20.346  37.033 1.00 10.30 ? 134 LEU A O   1 ? 
ATOM   1169 C  CB  . LEU A 1 134 ? 27.473 22.197  35.724 1.00 12.05 ? 134 LEU A CB  1 ? 
ATOM   1170 C  CG  . LEU A 1 134 ? 28.950 22.568  35.763 1.00 13.04 ? 134 LEU A CG  1 ? 
ATOM   1171 C  CD1 . LEU A 1 134 ? 29.148 24.058  35.900 1.00 13.60 ? 134 LEU A CD1 1 ? 
ATOM   1172 C  CD2 . LEU A 1 134 ? 29.659 21.846  36.880 1.00 13.50 ? 134 LEU A CD2 1 ? 
ATOM   1173 N  N   . ASP A 1 135 ? 24.906 20.729  34.780 1.00 10.67 ? 135 ASP A N   1 ? 
ATOM   1174 C  CA  . ASP A 1 135 ? 23.457 20.570  34.844 1.00 11.45 ? 135 ASP A CA  1 ? 
ATOM   1175 C  C   . ASP A 1 135 ? 23.071 19.110  35.046 1.00 11.03 ? 135 ASP A C   1 ? 
ATOM   1176 O  O   . ASP A 1 135 ? 22.116 18.824  35.780 1.00 11.76 ? 135 ASP A O   1 ? 
ATOM   1177 C  CB  . ASP A 1 135 ? 22.741 21.184  33.648 1.00 13.75 ? 135 ASP A CB  1 ? 
ATOM   1178 C  CG  . ASP A 1 135 ? 21.243 21.305  33.871 1.00 15.84 ? 135 ASP A CG  1 ? 
ATOM   1179 O  OD1 . ASP A 1 135 ? 20.792 21.748  34.964 1.00 16.95 ? 135 ASP A OD1 1 ? 
ATOM   1180 O  OD2 . ASP A 1 135 ? 20.508 20.784  33.027 1.00 22.96 ? 135 ASP A OD2 1 ? 
ATOM   1181 N  N   . GLU A 1 136 ? 23.804 18.158  34.424 1.00 12.65 ? 136 GLU A N   1 ? 
ATOM   1182 C  CA  . GLU A 1 136 ? 23.439 16.761  34.641 1.00 14.51 ? 136 GLU A CA  1 ? 
ATOM   1183 C  C   . GLU A 1 136 ? 23.552 16.395  36.123 1.00 12.91 ? 136 GLU A C   1 ? 
ATOM   1184 O  O   . GLU A 1 136 ? 22.737 15.693  36.722 1.00 13.22 ? 136 GLU A O   1 ? 
ATOM   1185 C  CB  . GLU A 1 136 ? 24.322 15.901  33.746 1.00 19.46 ? 136 GLU A CB  1 ? 
ATOM   1186 C  CG  . GLU A 1 136 ? 24.022 16.115  32.262 1.00 23.18 ? 136 GLU A CG  1 ? 
ATOM   1187 N  N   . GLU A 1 137 ? 24.571 16.935  36.785 1.00 11.15 ? 137 GLU A N   1 ? 
ATOM   1188 C  CA  . GLU A 1 137 ? 24.777 16.683  38.175 1.00 10.90 ? 137 GLU A CA  1 ? 
ATOM   1189 C  C   . GLU A 1 137 ? 23.691 17.337  39.011 1.00 10.47 ? 137 GLU A C   1 ? 
ATOM   1190 O  O   . GLU A 1 137 ? 23.209 16.717  39.939 1.00 10.41 ? 137 GLU A O   1 ? 
ATOM   1191 C  CB  . GLU A 1 137 ? 26.168 17.204  38.559 1.00 12.54 ? 137 GLU A CB  1 ? 
ATOM   1192 C  CG  . GLU A 1 137 ? 26.649 16.664  39.875 1.00 13.73 ? 137 GLU A CG  1 ? 
ATOM   1193 C  CD  . GLU A 1 137 ? 26.700 15.106  39.884 1.00 12.56 ? 137 GLU A CD  1 ? 
ATOM   1194 O  OE1 . GLU A 1 137 ? 27.037 14.437  38.910 1.00 15.82 ? 137 GLU A OE1 1 ? 
ATOM   1195 O  OE2 . GLU A 1 137 ? 26.386 14.691  41.005 1.00 16.27 ? 137 GLU A OE2 1 ? 
ATOM   1196 N  N   . VAL A 1 138 ? 23.346 18.604  38.736 1.00 9.77  ? 138 VAL A N   1 ? 
ATOM   1197 C  CA  . VAL A 1 138 ? 22.266 19.235  39.502 1.00 10.42 ? 138 VAL A CA  1 ? 
ATOM   1198 C  C   . VAL A 1 138 ? 20.972 18.425  39.364 1.00 10.01 ? 138 VAL A C   1 ? 
ATOM   1199 O  O   . VAL A 1 138 ? 20.268 18.208  40.341 1.00 10.03 ? 138 VAL A O   1 ? 
ATOM   1200 C  CB  . VAL A 1 138 ? 22.097 20.712  39.096 1.00 10.75 ? 138 VAL A CB  1 ? 
ATOM   1201 C  CG1 . VAL A 1 138 ? 20.719 21.310  39.415 1.00 10.97 ? 138 VAL A CG1 1 ? 
ATOM   1202 C  CG2 . VAL A 1 138 ? 23.169 21.590  39.711 1.00 10.83 ? 138 VAL A CG2 1 ? 
ATOM   1203 N  N   . LYS A 1 139 ? 20.664 18.008  38.157 1.00 9.80  ? 139 LYS A N   1 ? 
ATOM   1204 C  CA  . LYS A 1 139 ? 19.448 17.241  37.874 1.00 11.20 ? 139 LYS A CA  1 ? 
ATOM   1205 C  C   . LYS A 1 139 ? 19.444 15.925  38.657 1.00 10.98 ? 139 LYS A C   1 ? 
ATOM   1206 O  O   . LYS A 1 139 ? 18.422 15.553  39.280 1.00 11.11 ? 139 LYS A O   1 ? 
ATOM   1207 C  CB  . LYS A 1 139 ? 19.233 17.035  36.373 1.00 12.75 ? 139 LYS A CB  1 ? 
ATOM   1208 C  CG  . LYS A 1 139 ? 18.667 18.269  35.731 1.00 17.09 ? 139 LYS A CG  1 ? 
ATOM   1209 C  CD  . LYS A 1 139 ? 18.565 18.180  34.228 1.00 25.59 ? 139 LYS A CD  1 ? 
ATOM   1210 C  CE  . LYS A 1 139 ? 17.553 19.207  33.749 1.00 32.40 ? 139 LYS A CE  1 ? 
ATOM   1211 N  NZ  . LYS A 1 139 ? 17.754 20.623  34.085 1.00 35.62 ? 139 LYS A NZ  1 ? 
ATOM   1212 N  N   . LEU A 1 140 ? 20.590 15.239  38.670 1.00 10.21 ? 140 LEU A N   1 ? 
ATOM   1213 C  CA  . LEU A 1 140 ? 20.649 13.963  39.375 1.00 12.05 ? 140 LEU A CA  1 ? 
ATOM   1214 C  C   . LEU A 1 140 ? 20.492 14.140  40.877 1.00 11.57 ? 140 LEU A C   1 ? 
ATOM   1215 O  O   . LEU A 1 140 ? 19.797 13.383  41.558 1.00 11.76 ? 140 LEU A O   1 ? 
ATOM   1216 C  CB  . LEU A 1 140 ? 21.962 13.282  39.006 1.00 12.19 ? 140 LEU A CB  1 ? 
ATOM   1217 C  CG  . LEU A 1 140 ? 22.179 11.935  39.703 1.00 13.22 ? 140 LEU A CG  1 ? 
ATOM   1218 C  CD1 . LEU A 1 140 ? 21.080 10.948  39.377 1.00 14.28 ? 140 LEU A CD1 1 ? 
ATOM   1219 C  CD2 . LEU A 1 140 ? 23.551 11.382  39.319 1.00 13.79 ? 140 LEU A CD2 1 ? 
ATOM   1220 N  N   . ILE A 1 141 ? 21.155 15.141  41.468 1.00 9.16  ? 141 ILE A N   1 ? 
ATOM   1221 C  CA  . ILE A 1 141 ? 21.061 15.374  42.887 1.00 9.00  ? 141 ILE A CA  1 ? 
ATOM   1222 C  C   . ILE A 1 141 ? 19.614 15.742  43.268 1.00 9.89  ? 141 ILE A C   1 ? 
ATOM   1223 O  O   . ILE A 1 141 ? 19.124 15.291  44.300 1.00 9.91  ? 141 ILE A O   1 ? 
ATOM   1224 C  CB  . ILE A 1 141 ? 22.115 16.429  43.343 1.00 9.82  ? 141 ILE A CB  1 ? 
ATOM   1225 C  CG1 . ILE A 1 141 ? 23.537 15.853  43.192 1.00 10.08 ? 141 ILE A CG1 1 ? 
ATOM   1226 C  CG2 . ILE A 1 141 ? 21.912 16.880  44.790 1.00 11.51 ? 141 ILE A CG2 1 ? 
ATOM   1227 C  CD1 . ILE A 1 141 ? 24.651 16.854  43.278 1.00 10.74 ? 141 ILE A CD1 1 ? 
ATOM   1228 N  N   . LYS A 1 142 ? 18.927 16.519  42.406 1.00 9.30  ? 142 LYS A N   1 ? 
ATOM   1229 C  CA  . LYS A 1 142 ? 17.520 16.856  42.682 1.00 9.93  ? 142 LYS A CA  1 ? 
ATOM   1230 C  C   . LYS A 1 142 ? 16.666 15.593  42.695 1.00 10.68 ? 142 LYS A C   1 ? 
ATOM   1231 O  O   . LYS A 1 142 ? 15.850 15.412  43.601 1.00 10.48 ? 142 LYS A O   1 ? 
ATOM   1232 C  CB  . LYS A 1 142 ? 16.985 17.800  41.613 1.00 9.37  ? 142 LYS A CB  1 ? 
ATOM   1233 C  CG  . LYS A 1 142 ? 15.479 18.170  41.628 1.00 10.25 ? 142 LYS A CG  1 ? 
ATOM   1234 C  CD  . LYS A 1 142 ? 15.011 18.783  42.927 1.00 10.89 ? 142 LYS A CD  1 ? 
ATOM   1235 C  CE  . LYS A 1 142 ? 13.613 19.403  42.827 1.00 11.07 ? 142 LYS A CE  1 ? 
ATOM   1236 N  NZ  . LYS A 1 142 ? 12.526 18.404  42.620 1.00 10.96 ? 142 LYS A NZ  1 ? 
ATOM   1237 N  N   . LYS A 1 143 ? 16.902 14.726  41.740 1.00 10.88 ? 143 LYS A N   1 ? 
ATOM   1238 C  CA  . LYS A 1 143 ? 16.184 13.448  41.675 1.00 11.65 ? 143 LYS A CA  1 ? 
ATOM   1239 C  C   . LYS A 1 143 ? 16.429 12.593  42.923 1.00 12.05 ? 143 LYS A C   1 ? 
ATOM   1240 O  O   . LYS A 1 143 ? 15.511 12.035  43.546 1.00 11.38 ? 143 LYS A O   1 ? 
ATOM   1241 C  CB  . LYS A 1 143 ? 16.557 12.661  40.406 1.00 13.68 ? 143 LYS A CB  1 ? 
ATOM   1242 C  CG  . LYS A 1 143 ? 15.838 11.332  40.259 1.00 18.19 ? 143 LYS A CG  1 ? 
ATOM   1243 C  CD  . LYS A 1 143 ? 14.325 11.422  40.137 1.00 23.40 ? 143 LYS A CD  1 ? 
ATOM   1244 C  CE  . LYS A 1 143 ? 13.800 12.044  38.908 1.00 27.72 ? 143 LYS A CE  1 ? 
ATOM   1245 N  NZ  . LYS A 1 143 ? 12.334 12.015  39.076 1.00 31.79 ? 143 LYS A NZ  1 ? 
ATOM   1246 N  N   . MET A 1 144 ? 17.692 12.515  43.365 1.00 11.29 ? 144 MET A N   1 ? 
ATOM   1247 C  CA  . MET A 1 144 ? 17.979 11.759  44.548 1.00 11.40 ? 144 MET A CA  1 ? 
ATOM   1248 C  C   . MET A 1 144 ? 17.283 12.353  45.750 1.00 10.79 ? 144 MET A C   1 ? 
ATOM   1249 O  O   . MET A 1 144 ? 16.916 11.649  46.700 1.00 11.59 ? 144 MET A O   1 ? 
ATOM   1250 C  CB  . MET A 1 144 ? 19.494 11.668  44.775 1.00 11.97 ? 144 MET A CB  1 ? 
ATOM   1251 C  CG  . MET A 1 144 ? 20.156 10.766  43.774 1.00 11.20 ? 144 MET A CG  1 ? 
ATOM   1252 S  SD  . MET A 1 144 ? 21.930 10.695  44.083 1.00 13.05 ? 144 MET A SD  1 ? 
ATOM   1253 C  CE  . MET A 1 144 ? 22.321 9.431   42.897 1.00 11.37 ? 144 MET A CE  1 ? 
ATOM   1254 N  N   . GLY A 1 145 ? 17.311 13.700  45.866 1.00 10.63 ? 145 GLY A N   1 ? 
ATOM   1255 C  CA  . GLY A 1 145 ? 16.653 14.359  46.957 1.00 10.66 ? 145 GLY A CA  1 ? 
ATOM   1256 C  C   . GLY A 1 145 ? 15.139 14.041  46.941 1.00 9.57  ? 145 GLY A C   1 ? 
ATOM   1257 O  O   . GLY A 1 145 ? 14.600 13.771  48.023 1.00 10.47 ? 145 GLY A O   1 ? 
ATOM   1258 N  N   . ASP A 1 146 ? 14.517 14.086  45.767 1.00 9.67  ? 146 ASP A N   1 ? 
ATOM   1259 C  CA  . ASP A 1 146 ? 13.103 13.694  45.657 1.00 10.46 ? 146 ASP A CA  1 ? 
ATOM   1260 C  C   . ASP A 1 146 ? 12.869 12.276  46.176 1.00 11.48 ? 146 ASP A C   1 ? 
ATOM   1261 O  O   . ASP A 1 146 ? 11.963 11.994  46.976 1.00 10.77 ? 146 ASP A O   1 ? 
ATOM   1262 C  CB  . ASP A 1 146 ? 12.623 13.802  44.231 1.00 10.17 ? 146 ASP A CB  1 ? 
ATOM   1263 C  CG  . ASP A 1 146 ? 12.597 15.180  43.591 1.00 11.77 ? 146 ASP A CG  1 ? 
ATOM   1264 O  OD1 . ASP A 1 146 ? 12.812 16.190  44.282 1.00 11.09 ? 146 ASP A OD1 1 ? 
ATOM   1265 O  OD2 . ASP A 1 146 ? 12.429 15.229  42.377 1.00 13.56 ? 146 ASP A OD2 1 ? 
ATOM   1266 N  N   . HIS A 1 147 ? 13.749 11.357  45.757 1.00 11.56 ? 147 HIS A N   1 ? 
ATOM   1267 C  CA  . HIS A 1 147 ? 13.656 9.990   46.203 1.00 11.24 ? 147 HIS A CA  1 ? 
ATOM   1268 C  C   . HIS A 1 147 ? 13.823 9.887   47.717 1.00 12.78 ? 147 HIS A C   1 ? 
ATOM   1269 O  O   . HIS A 1 147 ? 13.052 9.176   48.386 1.00 11.60 ? 147 HIS A O   1 ? 
ATOM   1270 C  CB  . HIS A 1 147 ? 14.711 9.133   45.494 1.00 11.30 ? 147 HIS A CB  1 ? 
ATOM   1271 C  CG  . HIS A 1 147 ? 14.409 8.854   44.072 1.00 11.50 ? 147 HIS A CG  1 ? 
ATOM   1272 N  ND1 . HIS A 1 147 ? 13.157 9.017   43.490 1.00 11.23 ? 147 HIS A ND1 1 ? 
ATOM   1273 C  CD2 . HIS A 1 147 ? 15.199 8.373   43.093 1.00 11.14 ? 147 HIS A CD2 1 ? 
ATOM   1274 C  CE1 . HIS A 1 147 ? 13.233 8.656   42.245 1.00 11.27 ? 147 HIS A CE1 1 ? 
ATOM   1275 N  NE2 . HIS A 1 147 ? 14.480 8.203   41.994 1.00 12.74 ? 147 HIS A NE2 1 ? 
ATOM   1276 N  N   A LEU A 1 148 ? 14.842 10.542  48.313 0.71 11.58 ? 148 LEU A N   1 ? 
ATOM   1277 N  N   B LEU A 1 148 ? 14.839 10.566  48.236 0.29 11.47 ? 148 LEU A N   1 ? 
ATOM   1278 C  CA  A LEU A 1 148 ? 15.040 10.480  49.759 0.71 12.42 ? 148 LEU A CA  1 ? 
ATOM   1279 C  CA  B LEU A 1 148 ? 15.090 10.529  49.656 0.29 11.25 ? 148 LEU A CA  1 ? 
ATOM   1280 C  C   A LEU A 1 148 ? 13.793 10.911  50.526 0.71 12.24 ? 148 LEU A C   1 ? 
ATOM   1281 C  C   B LEU A 1 148 ? 13.828 10.896  50.443 0.29 11.40 ? 148 LEU A C   1 ? 
ATOM   1282 O  O   A LEU A 1 148 ? 13.418 10.289  51.548 0.71 11.57 ? 148 LEU A O   1 ? 
ATOM   1283 O  O   B LEU A 1 148 ? 13.424 10.142  51.337 0.29 11.16 ? 148 LEU A O   1 ? 
ATOM   1284 C  CB  A LEU A 1 148 ? 16.228 11.309  50.261 0.71 13.76 ? 148 LEU A CB  1 ? 
ATOM   1285 C  CB  B LEU A 1 148 ? 16.282 11.445  49.917 0.29 11.12 ? 148 LEU A CB  1 ? 
ATOM   1286 C  CG  A LEU A 1 148 ? 17.621 10.762  49.987 0.71 15.42 ? 148 LEU A CG  1 ? 
ATOM   1287 C  CG  B LEU A 1 148 ? 16.694 11.504  51.383 0.29 10.69 ? 148 LEU A CG  1 ? 
ATOM   1288 C  CD1 A LEU A 1 148 ? 18.568 11.883  50.368 0.71 15.41 ? 148 LEU A CD1 1 ? 
ATOM   1289 C  CD1 B LEU A 1 148 ? 16.907 10.071  51.833 0.29 10.96 ? 148 LEU A CD1 1 ? 
ATOM   1290 C  CD2 A LEU A 1 148 ? 17.931 9.578   50.824 0.71 15.25 ? 148 LEU A CD2 1 ? 
ATOM   1291 C  CD2 B LEU A 1 148 ? 17.943 12.334  51.588 0.29 10.83 ? 148 LEU A CD2 1 ? 
ATOM   1292 N  N   . THR A 1 149 ? 13.165 12.001  50.049 1.00 11.03 ? 149 THR A N   1 ? 
ATOM   1293 C  CA  . THR A 1 149 ? 11.980 12.488  50.730 1.00 11.26 ? 149 THR A CA  1 ? 
ATOM   1294 C  C   . THR A 1 149 ? 10.874 11.426  50.669 1.00 10.64 ? 149 THR A C   1 ? 
ATOM   1295 O  O   . THR A 1 149 ? 10.163 11.206  51.666 1.00 11.74 ? 149 THR A O   1 ? 
ATOM   1296 C  CB  . THR A 1 149 ? 11.575 13.799  50.065 1.00 11.19 ? 149 THR A CB  1 ? 
ATOM   1297 O  OG1 . THR A 1 149 ? 12.590 14.783  50.354 1.00 10.72 ? 149 THR A OG1 1 ? 
ATOM   1298 C  CG2 . THR A 1 149 ? 10.232 14.289  50.559 1.00 11.78 ? 149 THR A CG2 1 ? 
ATOM   1299 N  N   . ASN A 1 150 ? 10.688 10.801  49.517 1.00 10.74 ? 150 ASN A N   1 ? 
ATOM   1300 C  CA  . ASN A 1 150 ? 9.652  9.769   49.378 1.00 10.68 ? 150 ASN A CA  1 ? 
ATOM   1301 C  C   . ASN A 1 150 ? 9.980  8.522   50.196 1.00 12.14 ? 150 ASN A C   1 ? 
ATOM   1302 O  O   . ASN A 1 150 ? 9.131  7.955   50.886 1.00 11.49 ? 150 ASN A O   1 ? 
ATOM   1303 C  CB  . ASN A 1 150 ? 9.388  9.444   47.926 1.00 11.18 ? 150 ASN A CB  1 ? 
ATOM   1304 C  CG  . ASN A 1 150 ? 8.483  10.492  47.338 1.00 11.48 ? 150 ASN A CG  1 ? 
ATOM   1305 O  OD1 . ASN A 1 150 ? 7.260  10.432  47.540 1.00 10.98 ? 150 ASN A OD1 1 ? 
ATOM   1306 N  ND2 . ASN A 1 150 ? 9.100  11.456  46.667 1.00 10.97 ? 150 ASN A ND2 1 ? 
ATOM   1307 N  N   . ILE A 1 151 ? 11.242 8.110   50.198 1.00 11.74 ? 151 ILE A N   1 ? 
ATOM   1308 C  CA  . ILE A 1 151 ? 11.617 7.010   51.066 1.00 12.58 ? 151 ILE A CA  1 ? 
ATOM   1309 C  C   . ILE A 1 151 ? 11.358 7.302   52.528 1.00 13.38 ? 151 ILE A C   1 ? 
ATOM   1310 O  O   . ILE A 1 151 ? 10.781 6.441   53.223 1.00 13.08 ? 151 ILE A O   1 ? 
ATOM   1311 C  CB  . ILE A 1 151 ? 13.087 6.644   50.771 1.00 12.43 ? 151 ILE A CB  1 ? 
ATOM   1312 C  CG1 . ILE A 1 151 ? 13.299 6.105   49.385 1.00 13.21 ? 151 ILE A CG1 1 ? 
ATOM   1313 C  CG2 . ILE A 1 151 ? 13.617 5.669   51.831 1.00 13.78 ? 151 ILE A CG2 1 ? 
ATOM   1314 C  CD1 . ILE A 1 151 ? 14.728 6.213   48.910 1.00 14.18 ? 151 ILE A CD1 1 ? 
ATOM   1315 N  N   . GLN A 1 152 ? 11.717 8.501   53.009 1.00 12.40 ? 152 GLN A N   1 ? 
ATOM   1316 C  CA  . GLN A 1 152 ? 11.593 8.910   54.399 1.00 14.95 ? 152 GLN A CA  1 ? 
ATOM   1317 C  C   . GLN A 1 152 ? 10.111 8.964   54.786 1.00 16.48 ? 152 GLN A C   1 ? 
ATOM   1318 O  O   . GLN A 1 152 ? 9.751  8.549   55.889 1.00 18.31 ? 152 GLN A O   1 ? 
ATOM   1319 C  CB  . GLN A 1 152 ? 12.293 10.249  54.608 1.00 17.50 ? 152 GLN A CB  1 ? 
ATOM   1320 C  CG  . GLN A 1 152 ? 13.814 10.114  54.633 1.00 23.77 ? 152 GLN A CG  1 ? 
ATOM   1321 C  CD  . GLN A 1 152 ? 14.611 11.402  54.487 1.00 31.88 ? 152 GLN A CD  1 ? 
ATOM   1322 O  OE1 . GLN A 1 152 ? 14.179 12.412  53.907 1.00 37.87 ? 152 GLN A OE1 1 ? 
ATOM   1323 N  NE2 . GLN A 1 152 ? 15.838 11.335  54.978 1.00 36.69 ? 152 GLN A NE2 1 ? 
ATOM   1324 N  N   A ARG A 1 153 ? 9.293  9.473   53.867 0.45 15.55 ? 153 ARG A N   1 ? 
ATOM   1325 N  N   B ARG A 1 153 ? 9.244  9.463   53.897 0.55 15.21 ? 153 ARG A N   1 ? 
ATOM   1326 C  CA  A ARG A 1 153 ? 7.862  9.525   54.090 0.45 16.22 ? 153 ARG A CA  1 ? 
ATOM   1327 C  CA  B ARG A 1 153 ? 7.828  9.521   54.243 0.55 15.99 ? 153 ARG A CA  1 ? 
ATOM   1328 C  C   A ARG A 1 153 ? 7.319  8.124   54.394 0.45 17.35 ? 153 ARG A C   1 ? 
ATOM   1329 C  C   B ARG A 1 153 ? 7.228  8.110   54.338 0.55 17.08 ? 153 ARG A C   1 ? 
ATOM   1330 O  O   A ARG A 1 153 ? 6.453  7.984   55.242 0.45 17.66 ? 153 ARG A O   1 ? 
ATOM   1331 O  O   B ARG A 1 153 ? 6.161  7.941   54.916 0.55 16.84 ? 153 ARG A O   1 ? 
ATOM   1332 C  CB  A ARG A 1 153 ? 7.230  10.258  52.900 0.45 15.87 ? 153 ARG A CB  1 ? 
ATOM   1333 C  CB  B ARG A 1 153 ? 7.008  10.470  53.346 0.55 15.66 ? 153 ARG A CB  1 ? 
ATOM   1334 C  CG  A ARG A 1 153 ? 5.827  10.750  53.213 0.45 15.95 ? 153 ARG A CG  1 ? 
ATOM   1335 C  CG  B ARG A 1 153 ? 6.530  9.935   52.006 0.55 15.14 ? 153 ARG A CG  1 ? 
ATOM   1336 C  CD  A ARG A 1 153 ? 5.361  11.889  52.342 0.45 15.47 ? 153 ARG A CD  1 ? 
ATOM   1337 C  CD  B ARG A 1 153 ? 5.451  10.774  51.336 0.55 12.99 ? 153 ARG A CD  1 ? 
ATOM   1338 N  NE  A ARG A 1 153 ? 5.844  11.863  50.963 0.45 14.77 ? 153 ARG A NE  1 ? 
ATOM   1339 N  NE  B ARG A 1 153 ? 5.610  12.224  51.524 0.55 12.27 ? 153 ARG A NE  1 ? 
ATOM   1340 C  CZ  A ARG A 1 153 ? 6.409  12.870  50.302 0.45 14.22 ? 153 ARG A CZ  1 ? 
ATOM   1341 C  CZ  B ARG A 1 153 ? 6.197  13.116  50.735 0.55 12.80 ? 153 ARG A CZ  1 ? 
ATOM   1342 N  NH1 A ARG A 1 153 ? 6.404  14.094  50.825 0.45 15.43 ? 153 ARG A NH1 1 ? 
ATOM   1343 N  NH1 B ARG A 1 153 ? 6.858  12.767  49.613 0.55 12.01 ? 153 ARG A NH1 1 ? 
ATOM   1344 N  NH2 A ARG A 1 153 ? 6.988  12.632  49.117 0.45 11.47 ? 153 ARG A NH2 1 ? 
ATOM   1345 N  NH2 B ARG A 1 153 ? 6.135  14.396  51.104 0.55 13.08 ? 153 ARG A NH2 1 ? 
ATOM   1346 N  N   . LEU A 1 154 ? 7.863  7.101   53.719 1.00 19.36 ? 154 LEU A N   1 ? 
ATOM   1347 C  CA  . LEU A 1 154 ? 7.302  5.754   53.702 1.00 18.50 ? 154 LEU A CA  1 ? 
ATOM   1348 C  C   . LEU A 1 154 ? 7.791  4.886   54.848 1.00 22.33 ? 154 LEU A C   1 ? 
ATOM   1349 O  O   . LEU A 1 154 ? 7.322  3.754   55.004 1.00 24.15 ? 154 LEU A O   1 ? 
ATOM   1350 C  CB  . LEU A 1 154 ? 7.597  5.058   52.391 1.00 17.79 ? 154 LEU A CB  1 ? 
ATOM   1351 C  CG  . LEU A 1 154 ? 6.746  5.439   51.187 1.00 16.04 ? 154 LEU A CG  1 ? 
ATOM   1352 C  CD1 . LEU A 1 154 ? 7.358  5.016   49.888 1.00 15.99 ? 154 LEU A CD1 1 ? 
ATOM   1353 C  CD2 . LEU A 1 154 ? 5.333  4.786   51.380 1.00 17.27 ? 154 LEU A CD2 1 ? 
ATOM   1354 N  N   . VAL A 1 155 ? 8.720  5.384   55.650 1.00 24.57 ? 155 VAL A N   1 ? 
ATOM   1355 C  CA  . VAL A 1 155 ? 9.259  4.544   56.699 1.00 28.65 ? 155 VAL A CA  1 ? 
ATOM   1356 C  C   . VAL A 1 155 ? 8.171  4.294   57.740 1.00 35.57 ? 155 VAL A C   1 ? 
ATOM   1357 O  O   . VAL A 1 155 ? 7.866  3.132   58.061 1.00 33.89 ? 155 VAL A O   1 ? 
ATOM   1358 C  CB  . VAL A 1 155 ? 10.509 5.133   57.350 1.00 28.26 ? 155 VAL A CB  1 ? 
ATOM   1359 C  CG1 . VAL A 1 155 ? 10.927 4.265   58.536 1.00 29.86 ? 155 VAL A CG1 1 ? 
ATOM   1360 C  CG2 . VAL A 1 155 ? 11.657 5.278   56.333 1.00 26.47 ? 155 VAL A CG2 1 ? 
ATOM   1361 N  N   . GLY A 1 156 ? 7.606  5.384   58.282 1.00 34.67 ? 156 GLY A N   1 ? 
ATOM   1362 C  CA  . GLY A 1 156 ? 6.495  5.240   59.212 1.00 45.72 ? 156 GLY A CA  1 ? 
ATOM   1363 C  C   . GLY A 1 156 ? 6.891  4.292   60.343 1.00 44.10 ? 156 GLY A C   1 ? 
ATOM   1364 O  O   . GLY A 1 156 ? 7.944  4.480   60.938 1.00 43.29 ? 156 GLY A O   1 ? 
ATOM   1365 N  N   . SER A 1 157 ? 6.064  3.273   60.598 1.00 49.41 ? 157 SER A N   1 ? 
ATOM   1366 C  CA  . SER A 1 157 ? 6.398  2.211   61.543 1.00 50.01 ? 157 SER A CA  1 ? 
ATOM   1367 C  C   . SER A 1 157 ? 6.345  0.835   60.867 1.00 48.30 ? 157 SER A C   1 ? 
ATOM   1368 O  O   . SER A 1 157 ? 6.403  -0.180  61.557 1.00 46.80 ? 157 SER A O   1 ? 
ATOM   1369 N  N   . GLN A 1 158 ? 6.269  0.814   59.522 1.00 40.47 ? 158 GLN A N   1 ? 
ATOM   1370 C  CA  . GLN A 1 158 ? 6.296  -0.412  58.739 1.00 37.38 ? 158 GLN A CA  1 ? 
ATOM   1371 C  C   . GLN A 1 158 ? 7.321  -0.223  57.621 1.00 28.85 ? 158 GLN A C   1 ? 
ATOM   1372 O  O   . GLN A 1 158 ? 6.969  0.112   56.468 1.00 28.38 ? 158 GLN A O   1 ? 
ATOM   1373 C  CB  . GLN A 1 158 ? 4.896  -0.743  58.208 1.00 41.83 ? 158 GLN A CB  1 ? 
ATOM   1374 N  N   . ALA A 1 159 ? 8.583  -0.364  58.025 1.00 25.95 ? 159 ALA A N   1 ? 
ATOM   1375 C  CA  . ALA A 1 159 ? 9.724  -0.031  57.180 1.00 22.06 ? 159 ALA A CA  1 ? 
ATOM   1376 C  C   . ALA A 1 159 ? 9.733  -0.934  55.957 1.00 19.24 ? 159 ALA A C   1 ? 
ATOM   1377 O  O   . ALA A 1 159 ? 9.953  -0.450  54.861 1.00 17.47 ? 159 ALA A O   1 ? 
ATOM   1378 C  CB  . ALA A 1 159 ? 11.003 -0.173  57.971 1.00 24.81 ? 159 ALA A CB  1 ? 
ATOM   1379 N  N   . GLY A 1 160 ? 9.518  -2.248  56.165 1.00 17.46 ? 160 GLY A N   1 ? 
ATOM   1380 C  CA  . GLY A 1 160 ? 9.536  -3.194  55.060 1.00 15.41 ? 160 GLY A CA  1 ? 
ATOM   1381 C  C   . GLY A 1 160 ? 8.477  -2.869  53.990 1.00 14.97 ? 160 GLY A C   1 ? 
ATOM   1382 O  O   . GLY A 1 160 ? 8.747  -2.919  52.814 1.00 13.16 ? 160 GLY A O   1 ? 
ATOM   1383 N  N   . LEU A 1 161 ? 7.254  -2.600  54.436 1.00 14.39 ? 161 LEU A N   1 ? 
ATOM   1384 C  CA  . LEU A 1 161 ? 6.153  -2.213  53.563 1.00 14.47 ? 161 LEU A CA  1 ? 
ATOM   1385 C  C   . LEU A 1 161 ? 6.539  -0.999  52.718 1.00 12.50 ? 161 LEU A C   1 ? 
ATOM   1386 O  O   . LEU A 1 161 ? 6.345  -0.995  51.507 1.00 12.19 ? 161 LEU A O   1 ? 
ATOM   1387 C  CB  . LEU A 1 161 ? 4.928  -1.901  54.403 1.00 15.46 ? 161 LEU A CB  1 ? 
ATOM   1388 C  CG  . LEU A 1 161 ? 3.735  -1.256  53.708 1.00 15.79 ? 161 LEU A CG  1 ? 
ATOM   1389 C  CD1 . LEU A 1 161 ? 3.241  -2.215  52.681 1.00 17.41 ? 161 LEU A CD1 1 ? 
ATOM   1390 C  CD2 . LEU A 1 161 ? 2.687  -1.010  54.791 1.00 20.25 ? 161 LEU A CD2 1 ? 
ATOM   1391 N  N   . GLY A 1 162 ? 7.078  0.033   53.380 1.00 13.04 ? 162 GLY A N   1 ? 
ATOM   1392 C  CA  . GLY A 1 162 ? 7.410  1.239   52.644 1.00 13.75 ? 162 GLY A CA  1 ? 
ATOM   1393 C  C   . GLY A 1 162 ? 8.556  1.016   51.666 1.00 12.96 ? 162 GLY A C   1 ? 
ATOM   1394 O  O   . GLY A 1 162 ? 8.547  1.517   50.555 1.00 14.36 ? 162 GLY A O   1 ? 
ATOM   1395 N  N   . GLU A 1 163 ? 9.515  0.171   52.036 1.00 12.16 ? 163 GLU A N   1 ? 
ATOM   1396 C  CA  . GLU A 1 163 ? 10.635 -0.050  51.119 1.00 14.09 ? 163 GLU A CA  1 ? 
ATOM   1397 C  C   . GLU A 1 163 ? 10.182 -0.804  49.867 1.00 12.17 ? 163 GLU A C   1 ? 
ATOM   1398 O  O   . GLU A 1 163 ? 10.550 -0.530  48.711 1.00 12.71 ? 163 GLU A O   1 ? 
ATOM   1399 C  CB  . GLU A 1 163 ? 11.687 -0.856  51.872 1.00 15.49 ? 163 GLU A CB  1 ? 
ATOM   1400 C  CG  . GLU A 1 163 ? 12.990 -0.983  51.116 1.00 16.18 ? 163 GLU A CG  1 ? 
ATOM   1401 C  CD  . GLU A 1 163 ? 14.209 -1.393  51.914 1.00 17.08 ? 163 GLU A CD  1 ? 
ATOM   1402 O  OE1 . GLU A 1 163 ? 14.121 -1.986  53.016 1.00 19.11 ? 163 GLU A OE1 1 ? 
ATOM   1403 O  OE2 . GLU A 1 163 ? 15.295 -1.225  51.350 1.00 14.52 ? 163 GLU A OE2 1 ? 
ATOM   1404 N  N   . TYR A 1 164 ? 9.257  -1.748  50.050 1.00 11.55 ? 164 TYR A N   1 ? 
ATOM   1405 C  CA  . TYR A 1 164 ? 8.673  -2.448  48.922 1.00 10.49 ? 164 TYR A CA  1 ? 
ATOM   1406 C  C   . TYR A 1 164 ? 7.872  -1.498  48.026 1.00 9.64  ? 164 TYR A C   1 ? 
ATOM   1407 O  O   . TYR A 1 164 ? 8.001  -1.532  46.826 1.00 10.02 ? 164 TYR A O   1 ? 
ATOM   1408 C  CB  . TYR A 1 164 ? 7.753  -3.560  49.457 1.00 10.77 ? 164 TYR A CB  1 ? 
ATOM   1409 C  CG  . TYR A 1 164 ? 6.961  -4.310  48.391 1.00 11.94 ? 164 TYR A CG  1 ? 
ATOM   1410 C  CD1 . TYR A 1 164 ? 7.563  -5.279  47.587 1.00 10.84 ? 164 TYR A CD1 1 ? 
ATOM   1411 C  CD2 . TYR A 1 164 ? 5.591  -4.129  48.191 1.00 12.83 ? 164 TYR A CD2 1 ? 
ATOM   1412 C  CE1 . TYR A 1 164 ? 6.885  -6.003  46.616 1.00 11.41 ? 164 TYR A CE1 1 ? 
ATOM   1413 C  CE2 . TYR A 1 164 ? 4.901  -4.836  47.217 1.00 12.40 ? 164 TYR A CE2 1 ? 
ATOM   1414 C  CZ  . TYR A 1 164 ? 5.530  -5.792  46.430 1.00 11.70 ? 164 TYR A CZ  1 ? 
ATOM   1415 O  OH  . TYR A 1 164 ? 4.877  -6.535  45.480 1.00 11.56 ? 164 TYR A OH  1 ? 
ATOM   1416 N  N   . LEU A 1 165 ? 6.998  -0.694  48.651 1.00 11.18 ? 165 LEU A N   1 ? 
ATOM   1417 C  CA  . LEU A 1 165 ? 6.152  0.192   47.899 1.00 10.81 ? 165 LEU A CA  1 ? 
ATOM   1418 C  C   . LEU A 1 165 ? 6.941  1.195   47.068 1.00 10.24 ? 165 LEU A C   1 ? 
ATOM   1419 O  O   . LEU A 1 165 ? 6.600  1.426   45.922 1.00 10.02 ? 165 LEU A O   1 ? 
ATOM   1420 C  CB  . LEU A 1 165 ? 5.121  0.889   48.784 1.00 12.23 ? 165 LEU A CB  1 ? 
ATOM   1421 C  CG  . LEU A 1 165 ? 4.013  -0.029  49.309 1.00 13.36 ? 165 LEU A CG  1 ? 
ATOM   1422 C  CD1 . LEU A 1 165 ? 3.240  0.700   50.394 1.00 14.35 ? 165 LEU A CD1 1 ? 
ATOM   1423 C  CD2 . LEU A 1 165 ? 3.138  -0.549  48.209 1.00 13.60 ? 165 LEU A CD2 1 ? 
ATOM   1424 N  N   . PHE A 1 166 ? 8.006  1.745   47.683 1.00 10.99 ? 166 PHE A N   1 ? 
ATOM   1425 C  CA  . PHE A 1 166 ? 8.836  2.689   46.929 1.00 11.38 ? 166 PHE A CA  1 ? 
ATOM   1426 C  C   . PHE A 1 166 ? 9.461  2.023   45.697 1.00 10.97 ? 166 PHE A C   1 ? 
ATOM   1427 O  O   . PHE A 1 166 ? 9.460  2.555   44.578 1.00 10.03 ? 166 PHE A O   1 ? 
ATOM   1428 C  CB  . PHE A 1 166 ? 9.941  3.257   47.819 1.00 11.88 ? 166 PHE A CB  1 ? 
ATOM   1429 C  CG  . PHE A 1 166 ? 10.774 4.287   47.065 1.00 12.12 ? 166 PHE A CG  1 ? 
ATOM   1430 C  CD1 . PHE A 1 166 ? 10.284 5.575   46.827 1.00 12.70 ? 166 PHE A CD1 1 ? 
ATOM   1431 C  CD2 . PHE A 1 166 ? 12.050 3.983   46.601 1.00 12.93 ? 166 PHE A CD2 1 ? 
ATOM   1432 C  CE1 . PHE A 1 166 ? 11.019 6.517   46.127 1.00 13.00 ? 166 PHE A CE1 1 ? 
ATOM   1433 C  CE2 . PHE A 1 166 ? 12.798 4.951   45.939 1.00 13.31 ? 166 PHE A CE2 1 ? 
ATOM   1434 C  CZ  . PHE A 1 166 ? 12.275 6.199   45.667 1.00 11.92 ? 166 PHE A CZ  1 ? 
ATOM   1435 N  N   . GLU A 1 167 ? 9.993  0.804   45.913 1.00 9.31  ? 167 GLU A N   1 ? 
ATOM   1436 C  CA  . GLU A 1 167 ? 10.611 0.104   44.803 1.00 10.54 ? 167 GLU A CA  1 ? 
ATOM   1437 C  C   . GLU A 1 167 ? 9.624  -0.236  43.683 1.00 10.35 ? 167 GLU A C   1 ? 
ATOM   1438 O  O   . GLU A 1 167 ? 9.884  -0.143  42.481 1.00 11.30 ? 167 GLU A O   1 ? 
ATOM   1439 C  CB  . GLU A 1 167 ? 11.338 -1.147  45.319 1.00 11.24 ? 167 GLU A CB  1 ? 
ATOM   1440 C  CG  . GLU A 1 167 ? 12.029 -1.958  44.247 1.00 10.89 ? 167 GLU A CG  1 ? 
ATOM   1441 C  CD  . GLU A 1 167 ? 11.194 -3.011  43.520 1.00 10.59 ? 167 GLU A CD  1 ? 
ATOM   1442 O  OE1 . GLU A 1 167 ? 10.202 -3.458  44.234 1.00 11.55 ? 167 GLU A OE1 1 ? 
ATOM   1443 O  OE2 . GLU A 1 167 ? 11.476 -3.406  42.376 1.00 10.64 ? 167 GLU A OE2 1 ? 
ATOM   1444 N  N   . ARG A 1 168 ? 8.414  -0.593  44.083 1.00 10.95 ? 168 ARG A N   1 ? 
ATOM   1445 C  CA  . ARG A 1 168 ? 7.369  -0.974  43.133 1.00 10.40 ? 168 ARG A CA  1 ? 
ATOM   1446 C  C   . ARG A 1 168 ? 6.757  0.206   42.362 1.00 10.09 ? 168 ARG A C   1 ? 
ATOM   1447 O  O   . ARG A 1 168 ? 6.500  0.095   41.164 1.00 11.78 ? 168 ARG A O   1 ? 
ATOM   1448 C  CB  . ARG A 1 168 ? 6.201  -1.694  43.837 1.00 10.61 ? 168 ARG A CB  1 ? 
ATOM   1449 C  CG  . ARG A 1 168 ? 6.503  -3.115  44.299 1.00 10.43 ? 168 ARG A CG  1 ? 
ATOM   1450 C  CD  . ARG A 1 168 ? 6.624  -4.106  43.205 1.00 11.43 ? 168 ARG A CD  1 ? 
ATOM   1451 N  NE  . ARG A 1 168 ? 7.991  -4.265  42.669 1.00 11.19 ? 168 ARG A NE  1 ? 
ATOM   1452 C  CZ  . ARG A 1 168 ? 8.292  -5.052  41.684 1.00 12.02 ? 168 ARG A CZ  1 ? 
ATOM   1453 N  NH1 . ARG A 1 168 ? 7.382  -5.749  41.029 1.00 14.55 ? 168 ARG A NH1 1 ? 
ATOM   1454 N  NH2 . ARG A 1 168 ? 9.559  -5.195  41.308 1.00 14.11 ? 168 ARG A NH2 1 ? 
ATOM   1455 N  N   . LEU A 1 169 ? 6.517  1.308   43.094 1.00 11.46 ? 169 LEU A N   1 ? 
ATOM   1456 C  CA  . LEU A 1 169 ? 5.657  2.381   42.590 1.00 12.60 ? 169 LEU A CA  1 ? 
ATOM   1457 C  C   . LEU A 1 169 ? 6.413  3.638   42.138 1.00 12.64 ? 169 LEU A C   1 ? 
ATOM   1458 O  O   . LEU A 1 169 ? 5.890  4.426   41.329 1.00 12.07 ? 169 LEU A O   1 ? 
ATOM   1459 C  CB  . LEU A 1 169 ? 4.547  2.745   43.582 1.00 12.55 ? 169 LEU A CB  1 ? 
ATOM   1460 C  CG  . LEU A 1 169 ? 3.586  1.621   43.977 1.00 14.37 ? 169 LEU A CG  1 ? 
ATOM   1461 C  CD1 . LEU A 1 169 ? 2.605  2.131   45.007 1.00 14.81 ? 169 LEU A CD1 1 ? 
ATOM   1462 C  CD2 . LEU A 1 169 ? 2.872  1.042   42.735 1.00 15.30 ? 169 LEU A CD2 1 ? 
ATOM   1463 N  N   . THR A 1 170 ? 7.672  3.810   42.577 1.00 12.37 ? 170 THR A N   1 ? 
ATOM   1464 C  CA  . THR A 1 170 ? 8.488  4.889   42.047 1.00 12.48 ? 170 THR A CA  1 ? 
ATOM   1465 C  C   . THR A 1 170 ? 9.579  4.377   41.111 1.00 13.79 ? 170 THR A C   1 ? 
ATOM   1466 O  O   . THR A 1 170 ? 9.739  4.928   40.032 1.00 14.75 ? 170 THR A O   1 ? 
ATOM   1467 C  CB  . THR A 1 170 ? 9.143  5.660   43.176 1.00 12.65 ? 170 THR A CB  1 ? 
ATOM   1468 O  OG1 . THR A 1 170 ? 8.102  6.322   43.893 1.00 13.46 ? 170 THR A OG1 1 ? 
ATOM   1469 C  CG2 . THR A 1 170 ? 10.127 6.702   42.661 1.00 12.26 ? 170 THR A CG2 1 ? 
ATOM   1470 N  N   . LEU A 1 171 ? 10.338 3.344   41.498 1.00 14.80 ? 171 LEU A N   1 ? 
ATOM   1471 C  CA  . LEU A 1 171 ? 11.482 2.978   40.671 1.00 15.58 ? 171 LEU A CA  1 ? 
ATOM   1472 C  C   . LEU A 1 171 ? 11.046 2.110   39.493 1.00 20.31 ? 171 LEU A C   1 ? 
ATOM   1473 O  O   . LEU A 1 171 ? 10.022 1.455   39.567 1.00 21.93 ? 171 LEU A O   1 ? 
ATOM   1474 C  CB  . LEU A 1 171 ? 12.575 2.332   41.516 1.00 14.39 ? 171 LEU A CB  1 ? 
ATOM   1475 C  CG  . LEU A 1 171 ? 13.106 3.239   42.635 1.00 14.89 ? 171 LEU A CG  1 ? 
ATOM   1476 C  CD1 . LEU A 1 171 ? 14.104 2.494   43.511 1.00 15.31 ? 171 LEU A CD1 1 ? 
ATOM   1477 C  CD2 . LEU A 1 171 ? 13.694 4.502   42.078 1.00 14.26 ? 171 LEU A CD2 1 ? 
ATOM   1478 N  N   . LYS A 1 172 ? 11.796 2.218   38.385 1.00 23.25 ? 172 LYS A N   1 ? 
ATOM   1479 C  CA  . LYS A 1 172 ? 11.484 1.525   37.139 1.00 31.37 ? 172 LYS A CA  1 ? 
ATOM   1480 C  C   . LYS A 1 172 ? 11.976 0.083   37.244 1.00 34.33 ? 172 LYS A C   1 ? 
ATOM   1481 O  O   . LYS A 1 172 ? 13.130 -0.153  37.626 1.00 33.12 ? 172 LYS A O   1 ? 
ATOM   1482 C  CB  . LYS A 1 172 ? 12.081 2.261   35.926 1.00 30.06 ? 172 LYS A CB  1 ? 
ATOM   1483 N  N   . HIS A 1 173 ? 11.079 -0.867  36.917 1.00 35.81 ? 173 HIS A N   1 ? 
ATOM   1484 C  CA  . HIS A 1 173 ? 11.372 -2.295  36.998 1.00 36.52 ? 173 HIS A CA  1 ? 
ATOM   1485 C  C   . HIS A 1 173 ? 10.573 -3.022  35.918 1.00 42.11 ? 173 HIS A C   1 ? 
ATOM   1486 O  O   . HIS A 1 173 ? 9.716  -2.414  35.279 1.00 44.71 ? 173 HIS A O   1 ? 
ATOM   1487 C  CB  . HIS A 1 173 ? 11.076 -2.841  38.405 1.00 34.56 ? 173 HIS A CB  1 ? 
ATOM   1488 C  CG  . HIS A 1 173 ? 9.681  -2.588  38.862 1.00 35.53 ? 173 HIS A CG  1 ? 
ATOM   1489 N  ND1 . HIS A 1 173 ? 8.628  -3.361  38.405 1.00 30.82 ? 173 HIS A ND1 1 ? 
ATOM   1490 C  CD2 . HIS A 1 173 ? 9.157  -1.647  39.675 1.00 31.14 ? 173 HIS A CD2 1 ? 
ATOM   1491 C  CE1 . HIS A 1 173 ? 7.489  -2.923  38.947 1.00 33.20 ? 173 HIS A CE1 1 ? 
ATOM   1492 N  NE2 . HIS A 1 173 ? 7.779  -1.876  39.717 1.00 33.73 ? 173 HIS A NE2 1 ? 
ATOM   1493 N  N   . ASP A 1 174 ? 10.830 -4.326  35.748 1.00 49.15 ? 174 ASP A N   1 ? 
ATOM   1494 C  CA  . ASP A 1 174 ? 10.044 -5.161  34.845 1.00 50.66 ? 174 ASP A CA  1 ? 
ATOM   1495 C  C   . ASP A 1 174 ? 8.581  -5.208  35.318 1.00 52.07 ? 174 ASP A C   1 ? 
ATOM   1496 O  O   . ASP A 1 174 ? 8.370  -5.213  36.564 1.00 47.46 ? 174 ASP A O   1 ? 
HETATM 1497 CD CD  . CD  B 2 .   ? 18.817 -7.106  39.557 0.44 15.43 ? 201 CD  A CD  1 ? 
HETATM 1498 CD CD  . CD  C 2 .   ? 26.838 26.838  26.838 0.12 15.07 ? 202 CD  A CD  1 ? 
HETATM 1499 CD CD  . CD  D 2 .   ? 29.636 29.636  29.636 0.08 21.61 ? 203 CD  A CD  1 ? 
HETATM 1500 CD CD  . CD  E 2 .   ? 49.057 0.000   41.658 0.48 8.08  ? 204 CD  A CD  1 ? 
HETATM 1501 CD CD  . CD  F 2 .   ? 31.255 29.497  30.037 0.22 21.61 ? 205 CD  A CD  1 ? 
HETATM 1502 CD CD  . CD  G 2 .   ? 30.580 20.388  23.715 0.29 59.51 ? 206 CD  A CD  1 ? 
HETATM 1503 CD CD  . CD  H 2 .   ? 31.568 31.568  31.568 0.10 36.45 ? 207 CD  A CD  1 ? 
HETATM 1504 S  S   . SO4 I 3 .   ? 49.817 28.187  24.669 1.00 31.02 ? 208 SO4 A S   1 ? 
HETATM 1505 O  O1  . SO4 I 3 .   ? 51.083 28.442  25.330 1.00 35.10 ? 208 SO4 A O1  1 ? 
HETATM 1506 O  O2  . SO4 I 3 .   ? 49.957 28.512  23.252 1.00 35.74 ? 208 SO4 A O2  1 ? 
HETATM 1507 O  O3  . SO4 I 3 .   ? 49.502 26.816  24.806 1.00 32.19 ? 208 SO4 A O3  1 ? 
HETATM 1508 O  O4  . SO4 I 3 .   ? 48.789 28.999  25.281 1.00 35.09 ? 208 SO4 A O4  1 ? 
HETATM 1509 CL CL  . CL  J 4 .   ? 49.605 -1.812  40.068 1.00 12.94 ? 209 CL  A CL  1 ? 
HETATM 1510 C  C1  . EDO K 5 .   ? 18.106 -4.669  52.656 1.00 23.91 ? 210 EDO A C1  1 ? 
HETATM 1511 O  O1  . EDO K 5 .   ? 17.357 -5.803  53.012 1.00 29.02 ? 210 EDO A O1  1 ? 
HETATM 1512 C  C2  . EDO K 5 .   ? 17.202 -3.594  52.163 1.00 21.47 ? 210 EDO A C2  1 ? 
HETATM 1513 O  O2  . EDO K 5 .   ? 16.483 -3.143  53.345 1.00 23.25 ? 210 EDO A O2  1 ? 
HETATM 1514 C  C1  . EDO L 5 .   ? 27.776 14.152  35.388 1.00 31.30 ? 211 EDO A C1  1 ? 
HETATM 1515 O  O1  . EDO L 5 .   ? 28.194 14.248  36.715 1.00 21.79 ? 211 EDO A O1  1 ? 
HETATM 1516 C  C2  . EDO L 5 .   ? 26.527 13.329  35.270 1.00 39.23 ? 211 EDO A C2  1 ? 
HETATM 1517 O  O2  . EDO L 5 .   ? 26.488 12.228  36.188 1.00 36.49 ? 211 EDO A O2  1 ? 
HETATM 1518 O  O   . HOH M 6 .   ? 22.167 15.617  51.855 1.00 46.10 ? 301 HOH A O   1 ? 
HETATM 1519 O  O   . HOH M 6 .   ? 35.957 18.497  23.972 1.00 29.11 ? 302 HOH A O   1 ? 
HETATM 1520 O  O   . HOH M 6 .   ? 13.998 -1.668  34.856 1.00 44.89 ? 303 HOH A O   1 ? 
HETATM 1521 O  O   . HOH M 6 .   ? 20.455 0.275   58.151 1.00 28.49 ? 304 HOH A O   1 ? 
HETATM 1522 O  O   . HOH M 6 .   ? 26.281 4.135   54.489 1.00 38.29 ? 305 HOH A O   1 ? 
HETATM 1523 O  O   . HOH M 6 .   ? 22.857 20.235  50.925 1.00 22.79 ? 306 HOH A O   1 ? 
HETATM 1524 O  O   . HOH M 6 .   ? 49.477 15.914  22.319 1.00 21.45 ? 307 HOH A O   1 ? 
HETATM 1525 O  O   . HOH M 6 .   ? 46.771 30.164  24.414 1.00 17.92 ? 308 HOH A O   1 ? 
HETATM 1526 O  O   . HOH M 6 .   ? 29.806 4.854   52.757 1.00 31.79 ? 309 HOH A O   1 ? 
HETATM 1527 O  O   . HOH M 6 .   ? 12.169 13.870  54.478 1.00 37.36 ? 310 HOH A O   1 ? 
HETATM 1528 O  O   . HOH M 6 .   ? 22.882 -10.521 53.541 1.00 37.04 ? 311 HOH A O   1 ? 
HETATM 1529 O  O   . HOH M 6 .   ? 19.130 5.192   57.073 1.00 31.96 ? 312 HOH A O   1 ? 
HETATM 1530 O  O   . HOH M 6 .   ? 8.023  7.911   58.128 1.00 41.61 ? 313 HOH A O   1 ? 
HETATM 1531 O  O   . HOH M 6 .   ? 8.287  8.854   44.466 1.00 19.55 ? 314 HOH A O   1 ? 
HETATM 1532 O  O   . HOH M 6 .   ? 51.272 24.639  39.618 1.00 44.24 ? 315 HOH A O   1 ? 
HETATM 1533 O  O   . HOH M 6 .   ? 31.703 -2.830  47.285 1.00 8.62  ? 316 HOH A O   1 ? 
HETATM 1534 O  O   . HOH M 6 .   ? 26.386 25.051  27.942 0.73 28.06 ? 317 HOH A O   1 ? 
HETATM 1535 O  O   . HOH M 6 .   ? 11.083 13.418  41.032 1.00 23.61 ? 318 HOH A O   1 ? 
HETATM 1536 O  O   . HOH M 6 .   ? 35.850 -4.775  53.080 1.00 21.76 ? 319 HOH A O   1 ? 
HETATM 1537 O  O   . HOH M 6 .   ? 44.182 25.385  31.241 1.00 10.81 ? 320 HOH A O   1 ? 
HETATM 1538 O  O   . HOH M 6 .   ? 32.524 -5.331  47.992 1.00 8.20  ? 321 HOH A O   1 ? 
HETATM 1539 O  O   . HOH M 6 .   ? 51.893 17.645  31.834 1.00 42.20 ? 322 HOH A O   1 ? 
HETATM 1540 O  O   . HOH M 6 .   ? 21.709 -14.008 45.840 1.00 10.41 ? 323 HOH A O   1 ? 
HETATM 1541 O  O   . HOH M 6 .   ? 40.303 9.349   43.374 1.00 17.97 ? 324 HOH A O   1 ? 
HETATM 1542 O  O   . HOH M 6 .   ? 49.014 24.755  26.409 1.00 14.73 ? 325 HOH A O   1 ? 
HETATM 1543 O  O   . HOH M 6 .   ? 51.162 15.727  28.446 1.00 23.60 ? 326 HOH A O   1 ? 
HETATM 1544 O  O   . HOH M 6 .   ? 25.655 23.817  33.418 1.00 27.68 ? 327 HOH A O   1 ? 
HETATM 1545 O  O   . HOH M 6 .   ? 30.240 21.287  48.806 1.00 18.45 ? 328 HOH A O   1 ? 
HETATM 1546 O  O   . HOH M 6 .   ? 30.246 5.367   49.290 1.00 25.11 ? 329 HOH A O   1 ? 
HETATM 1547 O  O   . HOH M 6 .   ? 46.821 1.986   45.380 1.00 14.67 ? 330 HOH A O   1 ? 
HETATM 1548 O  O   . HOH M 6 .   ? 36.578 3.893   48.727 1.00 25.45 ? 331 HOH A O   1 ? 
HETATM 1549 O  O   . HOH M 6 .   ? 23.631 -8.252  52.993 1.00 39.05 ? 332 HOH A O   1 ? 
HETATM 1550 O  O   . HOH M 6 .   ? 21.276 13.970  35.287 1.00 26.40 ? 333 HOH A O   1 ? 
HETATM 1551 O  O   . HOH M 6 .   ? 35.145 2.571   53.912 1.00 22.79 ? 334 HOH A O   1 ? 
HETATM 1552 O  O   . HOH M 6 .   ? 38.607 30.723  39.775 1.00 19.40 ? 335 HOH A O   1 ? 
HETATM 1553 O  O   . HOH M 6 .   ? 10.417 -6.035  44.996 1.00 11.65 ? 336 HOH A O   1 ? 
HETATM 1554 O  O   . HOH M 6 .   ? 46.331 10.391  26.280 1.00 12.38 ? 337 HOH A O   1 ? 
HETATM 1555 O  O   . HOH M 6 .   ? 42.730 20.472  19.723 1.00 10.89 ? 338 HOH A O   1 ? 
HETATM 1556 O  O   . HOH M 6 .   ? 45.283 31.316  29.610 1.00 23.56 ? 339 HOH A O   1 ? 
HETATM 1557 O  O   . HOH M 6 .   ? 13.055 15.573  52.900 1.00 24.88 ? 340 HOH A O   1 ? 
HETATM 1558 O  O   . HOH M 6 .   ? 50.020 14.829  25.716 1.00 22.96 ? 341 HOH A O   1 ? 
HETATM 1559 O  O   . HOH M 6 .   ? 37.076 -6.577  42.394 1.00 11.27 ? 342 HOH A O   1 ? 
HETATM 1560 O  O   . HOH M 6 .   ? 24.482 14.685  51.825 1.00 36.46 ? 343 HOH A O   1 ? 
HETATM 1561 O  O   . HOH M 6 .   ? 46.517 13.818  38.269 1.00 28.57 ? 344 HOH A O   1 ? 
HETATM 1562 O  O   . HOH M 6 .   ? 11.833 18.266  39.992 1.00 30.69 ? 345 HOH A O   1 ? 
HETATM 1563 O  O   . HOH M 6 .   ? 19.482 -16.140 51.259 1.00 24.90 ? 346 HOH A O   1 ? 
HETATM 1564 O  O   . HOH M 6 .   ? 5.193  2.193   55.670 1.00 31.99 ? 347 HOH A O   1 ? 
HETATM 1565 O  O   . HOH M 6 .   ? 40.459 27.304  26.299 1.00 9.00  ? 348 HOH A O   1 ? 
HETATM 1566 O  O   . HOH M 6 .   ? 44.188 33.728  37.705 1.00 38.78 ? 349 HOH A O   1 ? 
HETATM 1567 O  O   . HOH M 6 .   ? 47.808 6.137   29.928 1.00 9.01  ? 350 HOH A O   1 ? 
HETATM 1568 O  O   . HOH M 6 .   ? 35.046 16.527  46.066 1.00 19.23 ? 351 HOH A O   1 ? 
HETATM 1569 O  O   . HOH M 6 .   ? 44.649 5.980   42.849 1.00 15.82 ? 352 HOH A O   1 ? 
HETATM 1570 O  O   . HOH M 6 .   ? 11.637 8.948   57.828 1.00 41.29 ? 353 HOH A O   1 ? 
HETATM 1571 O  O   . HOH M 6 .   ? 26.802 21.574  39.154 1.00 10.59 ? 354 HOH A O   1 ? 
HETATM 1572 O  O   . HOH M 6 .   ? 3.570  4.060   39.916 1.00 30.33 ? 355 HOH A O   1 ? 
HETATM 1573 O  O   . HOH M 6 .   ? 16.560 -10.810 53.874 1.00 35.90 ? 356 HOH A O   1 ? 
HETATM 1574 O  O   . HOH M 6 .   ? 36.295 25.692  44.293 1.00 30.09 ? 357 HOH A O   1 ? 
HETATM 1575 O  O   . HOH M 6 .   ? 49.873 5.653   35.881 1.00 13.68 ? 358 HOH A O   1 ? 
HETATM 1576 O  O   . HOH M 6 .   ? 34.115 10.733  45.728 1.00 21.60 ? 359 HOH A O   1 ? 
HETATM 1577 O  O   . HOH M 6 .   ? 13.537 -0.746  55.399 1.00 29.01 ? 360 HOH A O   1 ? 
HETATM 1578 O  O   . HOH M 6 .   ? 34.051 28.789  38.675 1.00 14.21 ? 361 HOH A O   1 ? 
HETATM 1579 O  O   . HOH M 6 .   ? 17.225 2.781   57.029 1.00 19.56 ? 362 HOH A O   1 ? 
HETATM 1580 O  O   . HOH M 6 .   ? 44.496 22.324  23.630 1.00 10.12 ? 363 HOH A O   1 ? 
HETATM 1581 O  O   . HOH M 6 .   ? 7.339  1.890   39.083 1.00 26.23 ? 364 HOH A O   1 ? 
HETATM 1582 O  O   . HOH M 6 .   ? 15.827 16.127  38.527 1.00 17.83 ? 365 HOH A O   1 ? 
HETATM 1583 O  O   . HOH M 6 .   ? 46.163 20.210  39.258 1.00 17.02 ? 366 HOH A O   1 ? 
HETATM 1584 O  O   . HOH M 6 .   ? 27.771 -5.673  45.915 1.00 14.81 ? 367 HOH A O   1 ? 
HETATM 1585 O  O   . HOH M 6 .   ? 29.845 14.613  49.961 1.00 17.70 ? 368 HOH A O   1 ? 
HETATM 1586 O  O   . HOH M 6 .   ? 55.071 17.264  18.108 1.00 42.45 ? 369 HOH A O   1 ? 
HETATM 1587 O  O   . HOH M 6 .   ? 35.111 2.845   44.479 1.00 11.33 ? 370 HOH A O   1 ? 
HETATM 1588 O  O   . HOH M 6 .   ? 21.625 -12.517 39.730 1.00 14.31 ? 371 HOH A O   1 ? 
HETATM 1589 O  O   . HOH M 6 .   ? 42.674 8.813   35.602 1.00 12.28 ? 372 HOH A O   1 ? 
HETATM 1590 O  O   . HOH M 6 .   ? 36.651 21.914  47.501 1.00 40.23 ? 373 HOH A O   1 ? 
HETATM 1591 O  O   . HOH M 6 .   ? 32.261 4.222   47.672 1.00 13.29 ? 374 HOH A O   1 ? 
HETATM 1592 O  O   . HOH M 6 .   ? 38.874 21.580  27.794 1.00 10.23 ? 375 HOH A O   1 ? 
HETATM 1593 O  O   . HOH M 6 .   ? 39.927 25.175  42.171 1.00 19.52 ? 376 HOH A O   1 ? 
HETATM 1594 O  O   . HOH M 6 .   ? 48.013 30.018  27.763 1.00 39.36 ? 377 HOH A O   1 ? 
HETATM 1595 O  O   . HOH M 6 .   ? 14.878 1.874   38.514 1.00 20.20 ? 378 HOH A O   1 ? 
HETATM 1596 O  O   . HOH M 6 .   ? 42.219 18.547  41.356 1.00 37.87 ? 379 HOH A O   1 ? 
HETATM 1597 O  O   . HOH M 6 .   ? 33.187 26.767  40.372 1.00 10.95 ? 380 HOH A O   1 ? 
HETATM 1598 O  O   . HOH M 6 .   ? 26.283 20.783  50.046 1.00 35.19 ? 381 HOH A O   1 ? 
HETATM 1599 O  O   . HOH M 6 .   ? 29.011 7.832   49.763 1.00 14.20 ? 382 HOH A O   1 ? 
HETATM 1600 O  O   . HOH M 6 .   ? 22.831 5.639   56.492 1.00 28.22 ? 383 HOH A O   1 ? 
HETATM 1601 O  O   . HOH M 6 .   ? 24.291 5.851   54.226 1.00 16.93 ? 384 HOH A O   1 ? 
HETATM 1602 O  O   . HOH M 6 .   ? 38.436 33.181  33.119 1.00 27.75 ? 385 HOH A O   1 ? 
HETATM 1603 O  O   . HOH M 6 .   ? 34.212 -2.116  50.862 1.00 13.30 ? 386 HOH A O   1 ? 
HETATM 1604 O  O   . HOH M 6 .   ? 26.977 -7.566  49.658 1.00 11.03 ? 387 HOH A O   1 ? 
HETATM 1605 O  O   . HOH M 6 .   ? 51.370 18.005  25.847 1.00 32.48 ? 388 HOH A O   1 ? 
HETATM 1606 O  O   . HOH M 6 .   ? 13.656 15.380  39.837 1.00 18.42 ? 389 HOH A O   1 ? 
HETATM 1607 O  O   . HOH M 6 .   ? 34.150 8.816   43.662 1.00 13.62 ? 390 HOH A O   1 ? 
HETATM 1608 O  O   . HOH M 6 .   ? 12.926 0.922   48.179 1.00 14.36 ? 391 HOH A O   1 ? 
HETATM 1609 O  O   . HOH M 6 .   ? 14.593 7.247   39.327 1.00 21.72 ? 392 HOH A O   1 ? 
HETATM 1610 O  O   . HOH M 6 .   ? 38.576 18.867  40.838 1.00 12.62 ? 393 HOH A O   1 ? 
HETATM 1611 O  O   . HOH M 6 .   ? 42.935 24.928  22.436 1.00 9.35  ? 394 HOH A O   1 ? 
HETATM 1612 O  O   . HOH M 6 .   ? 49.342 13.691  31.901 1.00 15.05 ? 395 HOH A O   1 ? 
HETATM 1613 O  O   . HOH M 6 .   ? 10.661 10.226  44.110 1.00 15.58 ? 396 HOH A O   1 ? 
HETATM 1614 O  O   . HOH M 6 .   ? 33.904 23.242  25.412 1.00 17.23 ? 397 HOH A O   1 ? 
HETATM 1615 O  O   . HOH M 6 .   ? 28.332 11.249  34.180 1.00 23.26 ? 398 HOH A O   1 ? 
HETATM 1616 O  O   . HOH M 6 .   ? 38.673 -3.637  53.796 1.00 17.78 ? 399 HOH A O   1 ? 
HETATM 1617 O  O   . HOH M 6 .   ? 48.083 4.156   41.254 1.00 12.90 ? 400 HOH A O   1 ? 
HETATM 1618 O  O   . HOH M 6 .   ? 42.919 32.595  27.483 1.00 18.01 ? 401 HOH A O   1 ? 
HETATM 1619 O  O   . HOH M 6 .   ? 10.966 2.212   54.456 1.00 27.20 ? 402 HOH A O   1 ? 
HETATM 1620 O  O   . HOH M 6 .   ? 41.148 5.430   43.668 1.00 11.39 ? 403 HOH A O   1 ? 
HETATM 1621 O  O   . HOH M 6 .   ? 38.970 11.141  47.469 1.00 34.55 ? 404 HOH A O   1 ? 
HETATM 1622 O  O   . HOH M 6 .   ? 20.500 -13.407 54.693 1.00 35.59 ? 405 HOH A O   1 ? 
HETATM 1623 O  O   . HOH M 6 .   ? 34.036 14.407  25.416 1.00 21.86 ? 406 HOH A O   1 ? 
HETATM 1624 O  O   . HOH M 6 .   ? 23.933 -3.988  54.852 1.00 23.98 ? 407 HOH A O   1 ? 
HETATM 1625 O  O   . HOH M 6 .   ? 45.002 27.742  30.322 1.00 15.13 ? 408 HOH A O   1 ? 
HETATM 1626 O  O   . HOH M 6 .   ? 12.338 -6.946  43.164 1.00 11.01 ? 409 HOH A O   1 ? 
HETATM 1627 O  O   . HOH M 6 .   ? 41.552 16.209  42.235 1.00 40.12 ? 410 HOH A O   1 ? 
HETATM 1628 O  O   . HOH M 6 .   ? 9.874  12.870  54.021 1.00 22.38 ? 411 HOH A O   1 ? 
HETATM 1629 O  O   . HOH M 6 .   ? 40.012 16.698  40.049 1.00 14.76 ? 412 HOH A O   1 ? 
HETATM 1630 O  O   . HOH M 6 .   ? 43.832 22.616  20.974 1.00 12.12 ? 413 HOH A O   1 ? 
HETATM 1631 O  O   . HOH M 6 .   ? 11.153 -7.791  40.773 1.00 26.64 ? 414 HOH A O   1 ? 
HETATM 1632 O  O   . HOH M 6 .   ? 49.805 17.420  34.145 1.00 17.35 ? 415 HOH A O   1 ? 
HETATM 1633 O  O   . HOH M 6 .   ? 41.005 11.601  42.311 1.00 31.98 ? 416 HOH A O   1 ? 
HETATM 1634 O  O   . HOH M 6 .   ? 50.953 24.681  32.223 1.00 24.01 ? 417 HOH A O   1 ? 
HETATM 1635 O  O   . HOH M 6 .   ? 6.659  -3.477  57.194 1.00 40.05 ? 418 HOH A O   1 ? 
HETATM 1636 O  O   . HOH M 6 .   ? 14.691 2.055   52.852 1.00 13.78 ? 419 HOH A O   1 ? 
HETATM 1637 O  O   . HOH M 6 .   ? 21.781 -15.054 52.248 1.00 28.90 ? 420 HOH A O   1 ? 
HETATM 1638 O  O   . HOH M 6 .   ? 35.539 4.964   46.028 1.00 14.13 ? 421 HOH A O   1 ? 
HETATM 1639 O  O   . HOH M 6 .   ? 37.122 1.151   50.605 1.00 15.70 ? 422 HOH A O   1 ? 
HETATM 1640 O  O   . HOH M 6 .   ? 51.429 7.857   36.601 1.00 38.44 ? 423 HOH A O   1 ? 
HETATM 1641 O  O   . HOH M 6 .   ? 30.008 -3.196  54.532 1.00 19.57 ? 424 HOH A O   1 ? 
HETATM 1642 O  O   . HOH M 6 .   ? 8.803  -3.864  58.622 1.00 42.34 ? 425 HOH A O   1 ? 
HETATM 1643 O  O   . HOH M 6 .   ? 50.712 20.932  37.193 1.00 32.52 ? 426 HOH A O   1 ? 
HETATM 1644 O  O   . HOH M 6 .   ? 10.704 3.641   52.039 1.00 25.58 ? 427 HOH A O   1 ? 
HETATM 1645 O  O   . HOH M 6 .   ? 32.234 25.702  45.237 1.00 17.07 ? 428 HOH A O   1 ? 
HETATM 1646 O  O   . HOH M 6 .   ? 23.261 11.718  52.790 1.00 30.28 ? 429 HOH A O   1 ? 
HETATM 1647 O  O   . HOH M 6 .   ? 29.655 -5.735  55.247 1.00 41.12 ? 430 HOH A O   1 ? 
HETATM 1648 O  O   . HOH M 6 .   ? 25.171 -3.042  39.147 1.00 20.71 ? 431 HOH A O   1 ? 
HETATM 1649 O  O   . HOH M 6 .   ? 45.672 32.492  33.657 1.00 39.08 ? 432 HOH A O   1 ? 
HETATM 1650 O  O   . HOH M 6 .   ? 52.980 13.556  29.063 1.00 30.69 ? 433 HOH A O   1 ? 
HETATM 1651 O  O   . HOH M 6 .   ? 38.700 33.043  38.072 1.00 34.82 ? 434 HOH A O   1 ? 
HETATM 1652 O  O   . HOH M 6 .   ? 45.386 28.434  39.075 1.00 30.25 ? 435 HOH A O   1 ? 
HETATM 1653 O  O   . HOH M 6 .   ? 34.926 6.306   48.767 1.00 31.70 ? 436 HOH A O   1 ? 
HETATM 1654 O  O   . HOH M 6 .   ? 47.034 30.590  32.281 1.00 42.52 ? 437 HOH A O   1 ? 
HETATM 1655 O  O   . HOH M 6 .   ? 47.868 13.054  36.174 1.00 25.41 ? 438 HOH A O   1 ? 
HETATM 1656 O  O   . HOH M 6 .   ? 38.663 18.623  43.603 1.00 22.38 ? 439 HOH A O   1 ? 
HETATM 1657 O  O   . HOH M 6 .   ? 33.306 6.493   45.078 1.00 16.87 ? 440 HOH A O   1 ? 
HETATM 1658 O  O   . HOH M 6 .   ? 15.265 -9.579  39.368 1.00 39.46 ? 441 HOH A O   1 ? 
HETATM 1659 O  O   . HOH M 6 .   ? 51.073 23.412  28.532 1.00 46.35 ? 442 HOH A O   1 ? 
HETATM 1660 O  O   . HOH M 6 .   ? 46.876 10.405  37.125 1.00 37.42 ? 443 HOH A O   1 ? 
HETATM 1661 O  O   . HOH M 6 .   ? 43.616 0.002   43.618 0.23 11.26 ? 444 HOH A O   1 ? 
HETATM 1662 O  O   . HOH M 6 .   ? 18.144 -7.677  37.465 0.89 25.63 ? 445 HOH A O   1 ? 
HETATM 1663 O  O   . HOH M 6 .   ? 53.299 20.153  25.279 1.00 45.53 ? 446 HOH A O   1 ? 
HETATM 1664 O  O   . HOH M 6 .   ? 30.894 17.050  48.945 1.00 27.31 ? 447 HOH A O   1 ? 
HETATM 1665 O  O   . HOH M 6 .   ? 46.904 7.951   26.866 1.00 17.70 ? 448 HOH A O   1 ? 
HETATM 1666 O  O   . HOH M 6 .   ? 14.434 -8.976  43.227 1.00 28.66 ? 449 HOH A O   1 ? 
HETATM 1667 O  O   . HOH M 6 .   ? 14.234 4.606   38.262 1.00 30.01 ? 450 HOH A O   1 ? 
HETATM 1668 O  O   . HOH M 6 .   ? 48.886 14.857  34.317 1.00 21.65 ? 451 HOH A O   1 ? 
HETATM 1669 O  O   . HOH M 6 .   ? 34.958 -1.807  53.517 1.00 26.53 ? 452 HOH A O   1 ? 
HETATM 1670 O  O   . HOH M 6 .   ? 43.696 5.695   47.367 1.00 18.72 ? 453 HOH A O   1 ? 
HETATM 1671 O  O   . HOH M 6 .   ? 41.317 27.500  41.196 1.00 28.49 ? 454 HOH A O   1 ? 
HETATM 1672 O  O   . HOH M 6 .   ? 39.101 14.684  41.361 1.00 34.08 ? 455 HOH A O   1 ? 
HETATM 1673 O  O   . HOH M 6 .   ? 43.518 4.524   44.887 1.00 15.81 ? 456 HOH A O   1 ? 
HETATM 1674 O  O   . HOH M 6 .   ? 25.744 8.184   53.693 1.00 25.24 ? 457 HOH A O   1 ? 
HETATM 1675 O  O   . HOH M 6 .   ? 40.696 26.074  23.772 1.00 10.63 ? 458 HOH A O   1 ? 
HETATM 1676 O  O   . HOH M 6 .   ? 41.164 22.765  42.020 1.00 35.53 ? 459 HOH A O   1 ? 
HETATM 1677 O  O   . HOH M 6 .   ? 33.410 30.614  33.242 1.00 44.42 ? 460 HOH A O   1 ? 
HETATM 1678 O  O   . HOH M 6 .   ? 52.528 21.536  28.681 1.00 38.47 ? 461 HOH A O   1 ? 
HETATM 1679 O  O   . HOH M 6 .   ? 40.542 20.864  40.453 1.00 21.20 ? 462 HOH A O   1 ? 
HETATM 1680 O  O   . HOH M 6 .   ? 42.474 8.712   45.119 1.00 43.99 ? 463 HOH A O   1 ? 
HETATM 1681 O  O   . HOH M 6 .   ? 18.854 12.846  36.461 1.00 29.30 ? 464 HOH A O   1 ? 
HETATM 1682 O  O   . HOH M 6 .   ? 56.116 11.703  23.525 1.00 44.82 ? 465 HOH A O   1 ? 
HETATM 1683 O  O   . HOH M 6 .   ? 47.902 27.532  29.931 1.00 28.71 ? 466 HOH A O   1 ? 
HETATM 1684 O  O   . HOH M 6 .   ? 31.146 9.219   48.869 1.00 21.42 ? 467 HOH A O   1 ? 
HETATM 1685 O  O   . HOH M 6 .   ? 40.212 29.920  41.776 1.00 35.13 ? 468 HOH A O   1 ? 
HETATM 1686 O  O   . HOH M 6 .   ? 34.651 22.703  49.162 1.00 52.18 ? 469 HOH A O   1 ? 
HETATM 1687 O  O   . HOH M 6 .   ? 38.176 32.060  30.714 1.00 21.01 ? 470 HOH A O   1 ? 
HETATM 1688 O  O   . HOH M 6 .   ? 43.747 9.917   41.070 1.00 33.29 ? 471 HOH A O   1 ? 
HETATM 1689 O  O   . HOH M 6 .   ? 36.406 5.956   50.924 1.00 45.05 ? 472 HOH A O   1 ? 
HETATM 1690 O  O   . HOH M 6 .   ? 12.866 2.591   50.640 1.00 17.64 ? 473 HOH A O   1 ? 
HETATM 1691 O  O   . HOH M 6 .   ? 39.585 35.094  32.949 1.00 40.52 ? 474 HOH A O   1 ? 
HETATM 1692 O  O   . HOH M 6 .   ? 35.229 -9.132  53.158 1.00 43.22 ? 475 HOH A O   1 ? 
HETATM 1693 O  O   . HOH M 6 .   ? 53.491 15.005  17.688 1.00 26.05 ? 476 HOH A O   1 ? 
HETATM 1694 O  O   . HOH M 6 .   ? 51.303 17.938  36.524 1.00 39.21 ? 477 HOH A O   1 ? 
HETATM 1695 O  O   . HOH M 6 .   ? 35.974 12.222  47.037 1.00 33.92 ? 478 HOH A O   1 ? 
HETATM 1696 O  O   . HOH M 6 .   ? 32.985 7.513   47.678 1.00 35.99 ? 479 HOH A O   1 ? 
HETATM 1697 O  O   . HOH M 6 .   ? 32.405 11.272  49.902 1.00 30.66 ? 480 HOH A O   1 ? 
HETATM 1698 O  O   . HOH M 6 .   ? 52.095 12.710  31.455 1.00 29.49 ? 481 HOH A O   1 ? 
HETATM 1699 O  O   . HOH M 6 .   ? 52.628 20.702  13.684 1.00 52.13 ? 482 HOH A O   1 ? 
HETATM 1700 O  O   . HOH M 6 .   ? 38.930 26.192  44.218 1.00 31.16 ? 483 HOH A O   1 ? 
HETATM 1701 O  O   . HOH M 6 .   ? 35.916 30.568  40.185 1.00 22.59 ? 484 HOH A O   1 ? 
HETATM 1702 O  O   . HOH M 6 .   ? 13.597 1.818   55.164 1.00 32.14 ? 485 HOH A O   1 ? 
HETATM 1703 O  O   . HOH M 6 .   ? 35.549 30.754  31.000 1.00 28.95 ? 486 HOH A O   1 ? 
HETATM 1704 O  O   . HOH M 6 .   ? 31.985 13.529  50.965 1.00 28.01 ? 487 HOH A O   1 ? 
HETATM 1705 O  O   . HOH M 6 .   ? 24.487 10.690  54.938 1.00 28.52 ? 488 HOH A O   1 ? 
HETATM 1706 O  O   . HOH M 6 .   ? 48.944 20.139  39.209 1.00 30.66 ? 489 HOH A O   1 ? 
HETATM 1707 O  O   . HOH M 6 .   ? 33.929 16.963  48.615 1.00 31.24 ? 490 HOH A O   1 ? 
HETATM 1708 O  O   . HOH M 6 .   ? 28.538 7.659   52.521 1.00 25.97 ? 491 HOH A O   1 ? 
HETATM 1709 O  O   . HOH M 6 .   ? 37.499 0.000   53.216 0.46 17.54 ? 492 HOH A O   1 ? 
HETATM 1710 O  O   . HOH M 6 .   ? 27.723 15.256  51.799 1.00 32.09 ? 493 HOH A O   1 ? 
HETATM 1711 O  O   . HOH M 6 .   ? 36.789 14.438  46.305 1.00 32.70 ? 494 HOH A O   1 ? 
HETATM 1712 O  O   . HOH M 6 .   ? 50.584 16.079  38.770 1.00 38.47 ? 495 HOH A O   1 ? 
HETATM 1713 O  O   . HOH M 6 .   ? 45.937 22.563  40.606 1.00 33.85 ? 496 HOH A O   1 ? 
HETATM 1714 O  O   . HOH M 6 .   ? 41.161 13.777  43.659 1.00 41.13 ? 497 HOH A O   1 ? 
HETATM 1715 O  O   . HOH M 6 .   ? 14.622 3.152   57.501 1.00 30.98 ? 498 HOH A O   1 ? 
HETATM 1716 O  O   . HOH M 6 .   ? 34.598 5.902   53.964 1.00 53.14 ? 499 HOH A O   1 ? 
HETATM 1717 O  O   . HOH M 6 .   ? 46.113 33.798  29.276 1.00 38.42 ? 500 HOH A O   1 ? 
HETATM 1718 O  O   . HOH M 6 .   ? 43.860 34.907  28.063 1.00 24.66 ? 501 HOH A O   1 ? 
HETATM 1719 O  O   . HOH M 6 .   ? 46.775 24.663  40.774 1.00 41.59 ? 502 HOH A O   1 ? 
HETATM 1720 O  O   . HOH M 6 .   ? 44.257 35.658  32.372 1.00 46.04 ? 503 HOH A O   1 ? 
HETATM 1721 O  O   . HOH M 6 .   ? 38.753 29.465  43.624 1.00 30.86 ? 504 HOH A O   1 ? 
HETATM 1722 O  O   . HOH M 6 .   ? 38.478 15.839  44.357 1.00 42.74 ? 505 HOH A O   1 ? 
HETATM 1723 O  O   . HOH M 6 .   ? 34.150 15.191  50.199 1.00 38.37 ? 506 HOH A O   1 ? 
HETATM 1724 O  O   . HOH M 6 .   ? 43.056 36.038  30.040 1.00 24.35 ? 507 HOH A O   1 ? 
HETATM 1725 O  O   . HOH M 6 .   ? 14.692 5.475   59.040 1.00 38.93 ? 508 HOH A O   1 ? 
HETATM 1726 O  O   . HOH M 6 .   ? 28.390 13.953  54.062 1.00 41.14 ? 509 HOH A O   1 ? 
HETATM 1727 O  O   . HOH M 6 .   ? 30.192 9.164   54.013 1.00 38.34 ? 510 HOH A O   1 ? 
HETATM 1728 O  O   . HOH M 6 .   ? 0.000  0.000   39.753 0.25 29.53 ? 511 HOH A O   1 ? 
HETATM 1729 O  O   . HOH M 6 .   ? 28.732 11.083  55.356 1.00 40.63 ? 512 HOH A O   1 ? 
# 
