data_9KRS
# 
_entry.id   9KRS 
# 
_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   9KRS         pdb_00009krs 10.2210/pdb9krs/pdb 
WWPDB D_1300053900 ?            ?                   
# 
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                        9KRS 
_pdbx_database_status.recvd_initial_deposition_date   2024-11-28 
_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' 19876.613 1   ? E53F/E56F/E57F/R59A/E60F/E63F ? ? 
2 non-polymer syn 'CADMIUM ION'          112.411   6   ? ?                             ? ? 
3 non-polymer syn 'SULFATE ION'          96.063    2   ? ?                             ? ? 
4 non-polymer syn 'CHLORIDE ION'         35.453    1   ? ?                             ? ? 
5 non-polymer syn 1,2-ETHANEDIOL         62.068    4   ? ?                             ? ? 
6 water       nat water                  18.015    196 ? ?                             ? ? 
# 
_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       
;SSQIRQNYSTEVEAAVNRLVNLYLRASYTYLSLGFYFDRDDVALEGVCHFFRFLAFFKAFGAFRLLKMQNQRGGRALFQD
LQKPSQDEWGTTLDAMKAAIVLEKSLNQALLDLHALGSAQADPHLCDFLESHFLDEEVKLIKKMGDHLTNIQRLVGSQAG
LGEYLFERLTLKHD
;
_entity_poly.pdbx_seq_one_letter_code_can   
;SSQIRQNYSTEVEAAVNRLVNLYLRASYTYLSLGFYFDRDDVALEGVCHFFRFLAFFKAFGAFRLLKMQNQRGGRALFQD
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  ALA 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  ALA 59  59  59  ALA ALA 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 3 SO4 1   207 1   SO4 SO4 A . 
I 3 SO4 1   208 2   SO4 SO4 A . 
J 4 CL  1   209 1   CL  CL  A . 
K 5 EDO 1   210 201 EDO EDO A . 
L 5 EDO 1   211 301 EDO EDO A . 
M 5 EDO 1   212 501 EDO EDO A . 
N 5 EDO 1   213 601 EDO EDO A . 
O 6 HOH 1   301 103 HOH HOH A . 
O 6 HOH 2   302 225 HOH HOH A . 
O 6 HOH 3   303 115 HOH HOH A . 
O 6 HOH 4   304 109 HOH HOH A . 
O 6 HOH 5   305 228 HOH HOH A . 
O 6 HOH 6   306 2   HOH HOH A . 
O 6 HOH 7   307 244 HOH HOH A . 
O 6 HOH 8   308 212 HOH HOH A . 
O 6 HOH 9   309 84  HOH HOH A . 
O 6 HOH 10  310 44  HOH HOH A . 
O 6 HOH 11  311 233 HOH HOH A . 
O 6 HOH 12  312 40  HOH HOH A . 
O 6 HOH 13  313 230 HOH HOH A . 
O 6 HOH 14  314 29  HOH HOH A . 
O 6 HOH 15  315 236 HOH HOH A . 
O 6 HOH 16  316 253 HOH HOH A . 
O 6 HOH 17  317 15  HOH HOH A . 
O 6 HOH 18  318 136 HOH HOH A . 
O 6 HOH 19  319 231 HOH HOH A . 
O 6 HOH 20  320 41  HOH HOH A . 
O 6 HOH 21  321 71  HOH HOH A . 
O 6 HOH 22  322 108 HOH HOH A . 
O 6 HOH 23  323 38  HOH HOH A . 
O 6 HOH 24  324 120 HOH HOH A . 
O 6 HOH 25  325 140 HOH HOH A . 
O 6 HOH 26  326 89  HOH HOH A . 
O 6 HOH 27  327 66  HOH HOH A . 
O 6 HOH 28  328 181 HOH HOH A . 
O 6 HOH 29  329 64  HOH HOH A . 
O 6 HOH 30  330 6   HOH HOH A . 
O 6 HOH 31  331 69  HOH HOH A . 
O 6 HOH 32  332 27  HOH HOH A . 
O 6 HOH 33  333 90  HOH HOH A . 
O 6 HOH 34  334 24  HOH HOH A . 
O 6 HOH 35  335 63  HOH HOH A . 
O 6 HOH 36  336 126 HOH HOH A . 
O 6 HOH 37  337 67  HOH HOH A . 
O 6 HOH 38  338 107 HOH HOH A . 
O 6 HOH 39  339 98  HOH HOH A . 
O 6 HOH 40  340 224 HOH HOH A . 
O 6 HOH 41  341 31  HOH HOH A . 
O 6 HOH 42  342 139 HOH HOH A . 
O 6 HOH 43  343 152 HOH HOH A . 
O 6 HOH 44  344 25  HOH HOH A . 
O 6 HOH 45  345 11  HOH HOH A . 
O 6 HOH 46  346 81  HOH HOH A . 
O 6 HOH 47  347 37  HOH HOH A . 
O 6 HOH 48  348 30  HOH HOH A . 
O 6 HOH 49  349 33  HOH HOH A . 
O 6 HOH 50  350 93  HOH HOH A . 
O 6 HOH 51  351 46  HOH HOH A . 
O 6 HOH 52  352 28  HOH HOH A . 
O 6 HOH 53  353 85  HOH HOH A . 
O 6 HOH 54  354 53  HOH HOH A . 
O 6 HOH 55  355 9   HOH HOH A . 
O 6 HOH 56  356 62  HOH HOH A . 
O 6 HOH 57  357 35  HOH HOH A . 
O 6 HOH 58  358 235 HOH HOH A . 
O 6 HOH 59  359 74  HOH HOH A . 
O 6 HOH 60  360 227 HOH HOH A . 
O 6 HOH 61  361 13  HOH HOH A . 
O 6 HOH 62  362 4   HOH HOH A . 
O 6 HOH 63  363 145 HOH HOH A . 
O 6 HOH 64  364 116 HOH HOH A . 
O 6 HOH 65  365 96  HOH HOH A . 
O 6 HOH 66  366 23  HOH HOH A . 
O 6 HOH 67  367 26  HOH HOH A . 
O 6 HOH 68  368 56  HOH HOH A . 
O 6 HOH 69  369 178 HOH HOH A . 
O 6 HOH 70  370 34  HOH HOH A . 
O 6 HOH 71  371 42  HOH HOH A . 
O 6 HOH 72  372 100 HOH HOH A . 
O 6 HOH 73  373 105 HOH HOH A . 
O 6 HOH 74  374 158 HOH HOH A . 
O 6 HOH 75  375 175 HOH HOH A . 
O 6 HOH 76  376 88  HOH HOH A . 
O 6 HOH 77  377 168 HOH HOH A . 
O 6 HOH 78  378 73  HOH HOH A . 
O 6 HOH 79  379 118 HOH HOH A . 
O 6 HOH 80  380 22  HOH HOH A . 
O 6 HOH 81  381 39  HOH HOH A . 
O 6 HOH 82  382 177 HOH HOH A . 
O 6 HOH 83  383 54  HOH HOH A . 
O 6 HOH 84  384 60  HOH HOH A . 
O 6 HOH 85  385 21  HOH HOH A . 
O 6 HOH 86  386 3   HOH HOH A . 
O 6 HOH 87  387 18  HOH HOH A . 
O 6 HOH 88  388 173 HOH HOH A . 
O 6 HOH 89  389 76  HOH HOH A . 
O 6 HOH 90  390 5   HOH HOH A . 
O 6 HOH 91  391 183 HOH HOH A . 
O 6 HOH 92  392 32  HOH HOH A . 
O 6 HOH 93  393 58  HOH HOH A . 
O 6 HOH 94  394 17  HOH HOH A . 
O 6 HOH 95  395 48  HOH HOH A . 
O 6 HOH 96  396 20  HOH HOH A . 
O 6 HOH 97  397 221 HOH HOH A . 
O 6 HOH 98  398 36  HOH HOH A . 
O 6 HOH 99  399 87  HOH HOH A . 
O 6 HOH 100 400 153 HOH HOH A . 
O 6 HOH 101 401 180 HOH HOH A . 
O 6 HOH 102 402 241 HOH HOH A . 
O 6 HOH 103 403 251 HOH HOH A . 
O 6 HOH 104 404 92  HOH HOH A . 
O 6 HOH 105 405 45  HOH HOH A . 
O 6 HOH 106 406 72  HOH HOH A . 
O 6 HOH 107 407 83  HOH HOH A . 
O 6 HOH 108 408 95  HOH HOH A . 
O 6 HOH 109 409 143 HOH HOH A . 
O 6 HOH 110 410 252 HOH HOH A . 
O 6 HOH 111 411 229 HOH HOH A . 
O 6 HOH 112 412 52  HOH HOH A . 
O 6 HOH 113 413 237 HOH HOH A . 
O 6 HOH 114 414 190 HOH HOH A . 
O 6 HOH 115 415 123 HOH HOH A . 
O 6 HOH 116 416 162 HOH HOH A . 
O 6 HOH 117 417 61  HOH HOH A . 
O 6 HOH 118 418 68  HOH HOH A . 
O 6 HOH 119 419 8   HOH HOH A . 
O 6 HOH 120 420 242 HOH HOH A . 
O 6 HOH 121 421 111 HOH HOH A . 
O 6 HOH 122 422 114 HOH HOH A . 
O 6 HOH 123 423 132 HOH HOH A . 
O 6 HOH 124 424 80  HOH HOH A . 
O 6 HOH 125 425 51  HOH HOH A . 
O 6 HOH 126 426 19  HOH HOH A . 
O 6 HOH 127 427 232 HOH HOH A . 
O 6 HOH 128 428 127 HOH HOH A . 
O 6 HOH 129 429 213 HOH HOH A . 
O 6 HOH 130 430 91  HOH HOH A . 
O 6 HOH 131 431 151 HOH HOH A . 
O 6 HOH 132 432 248 HOH HOH A . 
O 6 HOH 133 433 43  HOH HOH A . 
O 6 HOH 134 434 75  HOH HOH A . 
O 6 HOH 135 435 135 HOH HOH A . 
O 6 HOH 136 436 138 HOH HOH A . 
O 6 HOH 137 437 102 HOH HOH A . 
O 6 HOH 138 438 110 HOH HOH A . 
O 6 HOH 139 439 86  HOH HOH A . 
O 6 HOH 140 440 156 HOH HOH A . 
O 6 HOH 141 441 218 HOH HOH A . 
O 6 HOH 142 442 155 HOH HOH A . 
O 6 HOH 143 443 161 HOH HOH A . 
O 6 HOH 144 444 57  HOH HOH A . 
O 6 HOH 145 445 240 HOH HOH A . 
O 6 HOH 146 446 47  HOH HOH A . 
O 6 HOH 147 447 249 HOH HOH A . 
O 6 HOH 148 448 245 HOH HOH A . 
O 6 HOH 149 449 250 HOH HOH A . 
O 6 HOH 150 450 199 HOH HOH A . 
O 6 HOH 151 451 129 HOH HOH A . 
O 6 HOH 152 452 166 HOH HOH A . 
O 6 HOH 153 453 223 HOH HOH A . 
O 6 HOH 154 454 128 HOH HOH A . 
O 6 HOH 155 455 134 HOH HOH A . 
O 6 HOH 156 456 50  HOH HOH A . 
O 6 HOH 157 457 10  HOH HOH A . 
O 6 HOH 158 458 82  HOH HOH A . 
O 6 HOH 159 459 157 HOH HOH A . 
O 6 HOH 160 460 101 HOH HOH A . 
O 6 HOH 161 461 238 HOH HOH A . 
O 6 HOH 162 462 217 HOH HOH A . 
O 6 HOH 163 463 208 HOH HOH A . 
O 6 HOH 164 464 159 HOH HOH A . 
O 6 HOH 165 465 131 HOH HOH A . 
O 6 HOH 166 466 215 HOH HOH A . 
O 6 HOH 167 467 106 HOH HOH A . 
O 6 HOH 168 468 211 HOH HOH A . 
O 6 HOH 169 469 171 HOH HOH A . 
O 6 HOH 170 470 243 HOH HOH A . 
O 6 HOH 171 471 246 HOH HOH A . 
O 6 HOH 172 472 119 HOH HOH A . 
O 6 HOH 173 473 216 HOH HOH A . 
O 6 HOH 174 474 78  HOH HOH A . 
O 6 HOH 175 475 130 HOH HOH A . 
O 6 HOH 176 476 146 HOH HOH A . 
O 6 HOH 177 477 124 HOH HOH A . 
O 6 HOH 178 478 247 HOH HOH A . 
O 6 HOH 179 479 79  HOH HOH A . 
O 6 HOH 180 480 125 HOH HOH A . 
O 6 HOH 181 481 210 HOH HOH A . 
O 6 HOH 182 482 222 HOH HOH A . 
O 6 HOH 183 483 65  HOH HOH A . 
O 6 HOH 184 484 94  HOH HOH A . 
O 6 HOH 185 485 49  HOH HOH A . 
O 6 HOH 186 486 179 HOH HOH A . 
O 6 HOH 187 487 113 HOH HOH A . 
O 6 HOH 188 488 70  HOH HOH A . 
O 6 HOH 189 489 148 HOH HOH A . 
O 6 HOH 190 490 206 HOH HOH A . 
O 6 HOH 191 491 209 HOH HOH A . 
O 6 HOH 192 492 239 HOH HOH A . 
O 6 HOH 193 493 234 HOH HOH A . 
O 6 HOH 194 494 207 HOH HOH A . 
O 6 HOH 195 495 149 HOH HOH A . 
O 6 HOH 196 496 214 HOH HOH A . 
# 
loop_
_pdbx_unobs_or_zero_occ_atoms.id 
_pdbx_unobs_or_zero_occ_atoms.PDB_model_num 
_pdbx_unobs_or_zero_occ_atoms.polymer_flag 
_pdbx_unobs_or_zero_occ_atoms.occupancy_flag 
_pdbx_unobs_or_zero_occ_atoms.auth_asym_id 
_pdbx_unobs_or_zero_occ_atoms.auth_comp_id 
_pdbx_unobs_or_zero_occ_atoms.auth_seq_id 
_pdbx_unobs_or_zero_occ_atoms.PDB_ins_code 
_pdbx_unobs_or_zero_occ_atoms.auth_atom_id 
_pdbx_unobs_or_zero_occ_atoms.label_alt_id 
_pdbx_unobs_or_zero_occ_atoms.label_asym_id 
_pdbx_unobs_or_zero_occ_atoms.label_comp_id 
_pdbx_unobs_or_zero_occ_atoms.label_seq_id 
_pdbx_unobs_or_zero_occ_atoms.label_atom_id 
1  1 Y 1 A SER 1   ? CB  ? A SER 1   CB  
2  1 Y 1 A SER 1   ? OG  ? A SER 1   OG  
3  1 Y 1 A GLN 82  ? CD  ? A GLN 82  CD  
4  1 Y 1 A GLN 82  ? OE1 ? A GLN 82  OE1 
5  1 Y 1 A GLN 82  ? NE2 ? A GLN 82  NE2 
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 ? OE1 ? A GLN 158 OE1 
9  1 Y 1 A GLN 158 ? NE2 ? A GLN 158 NE2 
10 1 Y 1 A LYS 172 ? CG  ? A LYS 172 CG  
11 1 Y 1 A LYS 172 ? CD  ? A LYS 172 CD  
12 1 Y 1 A LYS 172 ? CE  ? A LYS 172 CE  
13 1 Y 1 A LYS 172 ? NZ  ? A LYS 172 NZ  
14 1 Y 1 A ASP 174 ? CB  ? A ASP 174 CB  
15 1 Y 1 A ASP 174 ? CG  ? A ASP 174 CG  
16 1 Y 1 A ASP 174 ? OD1 ? A ASP 174 OD1 
17 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                     9KRS 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     181.192 
_cell.length_a_esd                 ? 
_cell.length_b                     181.192 
_cell.length_b_esd                 ? 
_cell.length_c                     181.192 
_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                         9KRS 
_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                   9KRS 
_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         2021-06-16 
_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                                       9KRS 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.53 
_reflns.d_resolution_low                               18.49 
_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                                     38887 
_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                                12.8 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          30.8 
_reflns.pdbx_res_netI_over_av_sigmaI_2                 ? 
_reflns.pdbx_res_netI_over_sigmaI_2                    ? 
_reflns.pdbx_chi_squared                               0.98 
_reflns.pdbx_scaling_rejects                           ? 
_reflns.pdbx_d_res_high_opt                            ? 
_reflns.pdbx_d_res_low_opt                             ? 
_reflns.pdbx_d_res_opt_method                          ? 
_reflns.phase_calculation_details                      ? 
_reflns.pdbx_Rrim_I_all                                0.063 
_reflns.pdbx_Rpim_I_all                                0.017 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       ? 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   1.000 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              0.060 
_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                                    1.53 
_reflns_shell.d_res_low                                     1.56 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           2.4 
_reflns_shell.number_measured_all                           ? 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             1880 
_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                               8.7 
_reflns_shell.pdbx_chi_squared                              0.99 
_reflns_shell.pdbx_netI_over_sigmaI_all                     ? 
_reflns_shell.pdbx_netI_over_sigmaI_obs                     ? 
_reflns_shell.pdbx_Rrim_I_all                               0.939 
_reflns_shell.pdbx_Rpim_I_all                               0.311 
_reflns_shell.pdbx_rejects                                  ? 
_reflns_shell.pdbx_ordinal                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  0.813 
_reflns_shell.pdbx_CC_star                                  ? 
_reflns_shell.pdbx_R_split                                  ? 
_reflns_shell.percent_possible_all                          100.0 
_reflns_shell.Rmerge_I_all                                  ? 
_reflns_shell.Rmerge_I_obs                                  0.883 
_reflns_shell.pdbx_Rsym_value                               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal             ? 
_reflns_shell.pdbx_percent_possible_spherical               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal_anomalous   ? 
_reflns_shell.pdbx_percent_possible_spherical_anomalous     ? 
_reflns_shell.pdbx_redundancy_anomalous                     ? 
_reflns_shell.pdbx_CC_half_anomalous                        ? 
_reflns_shell.pdbx_absDiff_over_sigma_anomalous             ? 
_reflns_shell.pdbx_percent_possible_anomalous               ? 
# 
_refine.aniso_B[1][1]                            ? 
_refine.aniso_B[1][2]                            ? 
_refine.aniso_B[1][3]                            ? 
_refine.aniso_B[2][2]                            ? 
_refine.aniso_B[2][3]                            ? 
_refine.aniso_B[3][3]                            ? 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               ? 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               ? 
_refine.correlation_coeff_Fo_to_Fc_free          ? 
_refine.details                                  ? 
_refine.diff_density_max                         ? 
_refine.diff_density_max_esd                     ? 
_refine.diff_density_min                         ? 
_refine.diff_density_min_esd                     ? 
_refine.diff_density_rms                         ? 
_refine.diff_density_rms_esd                     ? 
_refine.entry_id                                 9KRS 
_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                            1.53 
_refine.ls_d_res_low                             18.49 
_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                     38816 
_refine.ls_number_reflns_R_free                  1943 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.81 
_refine.ls_percent_reflns_R_free                 5.01 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.1858 
_refine.ls_R_factor_R_free                       0.2118 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.1844 
_refine.ls_R_Fsqd_factor_obs                     ? 
_refine.ls_R_I_factor_obs                        ? 
_refine.ls_redundancy_reflns_all                 ? 
_refine.ls_redundancy_reflns_obs                 ? 
_refine.ls_restrained_S_all                      ? 
_refine.ls_restrained_S_obs                      ? 
_refine.ls_shift_over_esd_max                    ? 
_refine.ls_shift_over_esd_mean                   ? 
_refine.ls_structure_factor_coef                 ? 
_refine.ls_weighting_details                     ? 
_refine.ls_weighting_scheme                      ? 
_refine.ls_wR_factor_all                         ? 
_refine.ls_wR_factor_obs                         ? 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_wR_factor_R_work                      ? 
_refine.occupancy_max                            ? 
_refine.occupancy_min                            ? 
_refine.solvent_model_details                    'FLAT BULK SOLVENT MODEL' 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_R_complete                          ? 
_refine.ls_R_factor_gt                           ? 
_refine.ls_goodness_of_fit_gt                    ? 
_refine.ls_goodness_of_fit_ref                   ? 
_refine.ls_shift_over_su_max                     ? 
_refine.ls_shift_over_su_max_lt                  ? 
_refine.ls_shift_over_su_mean                    ? 
_refine.ls_shift_over_su_mean_lt                 ? 
_refine.pdbx_ls_sigma_I                          ? 
_refine.pdbx_ls_sigma_F                          1.34 
_refine.pdbx_ls_sigma_Fsqd                       ? 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.pdbx_ls_cross_valid_method               'FREE R-VALUE' 
_refine.pdbx_method_to_determine_struct          'MOLECULAR REPLACEMENT' 
_refine.pdbx_starting_model                      1DAT 
_refine.pdbx_stereochemistry_target_values       ML 
_refine.pdbx_R_Free_selection_details            ? 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_overall_ESU_R                       ? 
_refine.pdbx_overall_ESU_R_Free                  ? 
_refine.pdbx_solvent_vdw_probe_radii             1.10 
_refine.pdbx_solvent_ion_probe_radii             ? 
_refine.pdbx_solvent_shrinkage_radii             0.90 
_refine.pdbx_real_space_R                        ? 
_refine.pdbx_density_correlation                 ? 
_refine.pdbx_pd_number_of_powder_patterns        ? 
_refine.pdbx_pd_number_of_points                 ? 
_refine.pdbx_pd_meas_number_of_points            ? 
_refine.pdbx_pd_proc_ls_prof_R_factor            ? 
_refine.pdbx_pd_proc_ls_prof_wR_factor           ? 
_refine.pdbx_pd_Marquardt_correlation_coeff      ? 
_refine.pdbx_pd_Fsqrd_R_factor                   ? 
_refine.pdbx_pd_ls_matrix_band_width             ? 
_refine.pdbx_overall_phase_error                 20.76 
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI   ? 
_refine.pdbx_overall_SU_R_free_Blow_DPI          ? 
_refine.pdbx_overall_SU_R_Blow_DPI               ? 
_refine.pdbx_TLS_residual_ADP_flag               ? 
_refine.pdbx_diffrn_id                           1 
_refine.overall_SU_B                             ? 
_refine.overall_SU_ML                            0.13 
_refine.overall_SU_R_Cruickshank_DPI             ? 
_refine.overall_SU_R_free                        ? 
_refine.overall_FOM_free_R_set                   ? 
_refine.overall_FOM_work_R_set                   ? 
_refine.pdbx_average_fsc_overall                 ? 
_refine.pdbx_average_fsc_work                    ? 
_refine.pdbx_average_fsc_free                    ? 
# 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.cycle_id                         LAST 
_refine_hist.pdbx_number_atoms_protein        1384 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         33 
_refine_hist.number_atoms_solvent             196 
_refine_hist.number_atoms_total               1613 
_refine_hist.d_res_high                       1.53 
_refine_hist.d_res_low                        18.49 
# 
loop_
_refine_ls_restr.pdbx_refine_id 
_refine_ls_restr.criterion 
_refine_ls_restr.dev_ideal 
_refine_ls_restr.dev_ideal_target 
_refine_ls_restr.number 
_refine_ls_restr.rejects 
_refine_ls_restr.type 
_refine_ls_restr.weight 
_refine_ls_restr.pdbx_restraint_function 
'X-RAY DIFFRACTION' ? 0.016  ? 1514 ? f_bond_d           ? ? 
'X-RAY DIFFRACTION' ? 1.719  ? 2048 ? f_angle_d          ? ? 
'X-RAY DIFFRACTION' ? 14.512 ? 570  ? f_dihedral_angle_d ? ? 
'X-RAY DIFFRACTION' ? 0.097  ? 221  ? f_chiral_restr     ? ? 
'X-RAY DIFFRACTION' ? 0.027  ? 265  ? 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' 1.53 1.57  . . 145 2568 100.00 . . . . 0.2406 . . . . . . . . . . . 0.2909 
'X-RAY DIFFRACTION' 1.57 1.61  . . 130 2594 100.00 . . . . 0.2254 . . . . . . . . . . . 0.2567 
'X-RAY DIFFRACTION' 1.61 1.66  . . 131 2586 100.00 . . . . 0.2208 . . . . . . . . . . . 0.2481 
'X-RAY DIFFRACTION' 1.66 1.71  . . 128 2616 100.00 . . . . 0.2145 . . . . . . . . . . . 0.2365 
'X-RAY DIFFRACTION' 1.71 1.77  . . 141 2573 100.00 . . . . 0.2136 . . . . . . . . . . . 0.2342 
'X-RAY DIFFRACTION' 1.77 1.84  . . 137 2577 100.00 . . . . 0.2028 . . . . . . . . . . . 0.2412 
'X-RAY DIFFRACTION' 1.84 1.93  . . 144 2629 100.00 . . . . 0.1950 . . . . . . . . . . . 0.2030 
'X-RAY DIFFRACTION' 1.93 2.03  . . 122 2630 100.00 . . . . 0.1969 . . . . . . . . . . . 0.2376 
'X-RAY DIFFRACTION' 2.03 2.16  . . 131 2607 100.00 . . . . 0.1806 . . . . . . . . . . . 0.2238 
'X-RAY DIFFRACTION' 2.16 2.32  . . 157 2603 99.00  . . . . 0.1664 . . . . . . . . . . . 0.1712 
'X-RAY DIFFRACTION' 2.32 2.55  . . 138 2634 100.00 . . . . 0.1689 . . . . . . . . . . . 0.2090 
'X-RAY DIFFRACTION' 2.56 2.92  . . 135 2688 100.00 . . . . 0.1696 . . . . . . . . . . . 0.1983 
'X-RAY DIFFRACTION' 2.93 3.68  . . 149 2692 100.00 . . . . 0.1652 . . . . . . . . . . . 0.1936 
'X-RAY DIFFRACTION' 3.68 18.49 . . 155 2876 100.00 . . . . 0.1845 . . . . . . . . . . . 0.2119 
# 
_struct.entry_id                     9KRS 
_struct.title                        'Crystal structure of Horse spleen L-ferritin mutant (Fr-E53F/E56F/E57F/R59A/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        9KRS 
_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 3 ? 
I N N 3 ? 
J N N 4 ? 
K N N 5 ? 
L N N 5 ? 
M N N 5 ? 
N N N 5 ? 
O N N 6 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    FRIL_HORSE 
_struct_ref.pdbx_db_accession          P02791 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;SSQIRQNYSTEVEAAVNRLVNLYLRASYTYLSLGFYFDRDDVALEGVCHFFRELAEEKREGAERLLKMQNQRGGRALFQD
LQKPSQDEWGTTLDAMKAAIVLEKSLNQALLDLHALGSAQADPHLCDFLESHFLDEEVKLIKKMGDHLTNIQRLVGSQAG
LGEYLFERLTLKHD
;
_struct_ref.pdbx_align_begin           2 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              9KRS 
_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 9KRS PHE A 53 ? UNP P02791 GLU 54 'engineered mutation' 53 1 
1 9KRS PHE A 56 ? UNP P02791 GLU 57 'engineered mutation' 56 2 
1 9KRS PHE A 57 ? UNP P02791 GLU 58 'engineered mutation' 57 3 
1 9KRS ALA A 59 ? UNP P02791 ARG 60 'engineered mutation' 59 4 
1 9KRS PHE A 60 ? UNP P02791 GLU 61 'engineered mutation' 60 5 
1 9KRS 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)' 91110  ? 
1 MORE         -376   ? 
1 'SSA (A^2)'  139020 ? 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C,D,E,F,G,H,I,J,K,L,M,N,O 
# 
_pdbx_struct_assembly_auth_evidence.id                     1 
_pdbx_struct_assembly_auth_evidence.assembly_id            1 
_pdbx_struct_assembly_auth_evidence.experimental_support   'native gel electrophoresis' 
_pdbx_struct_assembly_auth_evidence.details                'Size exclusion chromatography' 
# 
loop_
_pdbx_struct_oper_list.id 
_pdbx_struct_oper_list.type 
_pdbx_struct_oper_list.name 
_pdbx_struct_oper_list.symmetry_operation 
_pdbx_struct_oper_list.matrix[1][1] 
_pdbx_struct_oper_list.matrix[1][2] 
_pdbx_struct_oper_list.matrix[1][3] 
_pdbx_struct_oper_list.vector[1] 
_pdbx_struct_oper_list.matrix[2][1] 
_pdbx_struct_oper_list.matrix[2][2] 
_pdbx_struct_oper_list.matrix[2][3] 
_pdbx_struct_oper_list.vector[2] 
_pdbx_struct_oper_list.matrix[3][1] 
_pdbx_struct_oper_list.matrix[3][2] 
_pdbx_struct_oper_list.matrix[3][3] 
_pdbx_struct_oper_list.vector[3] 
1  'identity operation'         1_555  x,y,z    1.0000000000  0.0000000000  0.0000000000  0.0000000000 0.0000000000  1.0000000000  
0.0000000000  0.0000000000 0.0000000000  0.0000000000  1.0000000000  0.0000000000 
2  'crystal symmetry operation' 2_555  -x,-y,z  -1.0000000000 0.0000000000  0.0000000000  0.0000000000 0.0000000000  -1.0000000000 
0.0000000000  0.0000000000 0.0000000000  0.0000000000  1.0000000000  0.0000000000 
3  'crystal symmetry operation' 3_555  -x,y,-z  -1.0000000000 0.0000000000  0.0000000000  0.0000000000 0.0000000000  1.0000000000  
0.0000000000  0.0000000000 0.0000000000  0.0000000000  -1.0000000000 0.0000000000 
4  'crystal symmetry operation' 4_555  x,-y,-z  1.0000000000  0.0000000000  0.0000000000  0.0000000000 0.0000000000  -1.0000000000 
0.0000000000  0.0000000000 0.0000000000  0.0000000000  -1.0000000000 0.0000000000 
5  'crystal symmetry operation' 5_555  z,x,y    0.0000000000  0.0000000000  1.0000000000  0.0000000000 1.0000000000  0.0000000000  
0.0000000000  0.0000000000 0.0000000000  1.0000000000  0.0000000000  0.0000000000 
6  'crystal symmetry operation' 6_555  z,-x,-y  0.0000000000  0.0000000000  1.0000000000  0.0000000000 -1.0000000000 0.0000000000  
0.0000000000  0.0000000000 0.0000000000  -1.0000000000 0.0000000000  0.0000000000 
7  'crystal symmetry operation' 7_555  -z,-x,y  0.0000000000  0.0000000000  -1.0000000000 0.0000000000 -1.0000000000 0.0000000000  
0.0000000000  0.0000000000 0.0000000000  1.0000000000  0.0000000000  0.0000000000 
8  'crystal symmetry operation' 8_555  -z,x,-y  0.0000000000  0.0000000000  -1.0000000000 0.0000000000 1.0000000000  0.0000000000  
0.0000000000  0.0000000000 0.0000000000  -1.0000000000 0.0000000000  0.0000000000 
9  'crystal symmetry operation' 9_555  y,z,x    0.0000000000  1.0000000000  0.0000000000  0.0000000000 0.0000000000  0.0000000000  
1.0000000000  0.0000000000 1.0000000000  0.0000000000  0.0000000000  0.0000000000 
10 'crystal symmetry operation' 10_555 -y,z,-x  0.0000000000  -1.0000000000 0.0000000000  0.0000000000 0.0000000000  0.0000000000  
1.0000000000  0.0000000000 -1.0000000000 0.0000000000  0.0000000000  0.0000000000 
11 'crystal symmetry operation' 11_555 y,-z,-x  0.0000000000  1.0000000000  0.0000000000  0.0000000000 0.0000000000  0.0000000000  
-1.0000000000 0.0000000000 -1.0000000000 0.0000000000  0.0000000000  0.0000000000 
12 'crystal symmetry operation' 12_555 -y,-z,x  0.0000000000  -1.0000000000 0.0000000000  0.0000000000 0.0000000000  0.0000000000  
-1.0000000000 0.0000000000 1.0000000000  0.0000000000  0.0000000000  0.0000000000 
13 'crystal symmetry operation' 13_555 y,x,-z   0.0000000000  1.0000000000  0.0000000000  0.0000000000 1.0000000000  0.0000000000  
0.0000000000  0.0000000000 0.0000000000  0.0000000000  -1.0000000000 0.0000000000 
14 'crystal symmetry operation' 14_555 -y,-x,-z 0.0000000000  -1.0000000000 0.0000000000  0.0000000000 -1.0000000000 0.0000000000  
0.0000000000  0.0000000000 0.0000000000  0.0000000000  -1.0000000000 0.0000000000 
15 'crystal symmetry operation' 15_555 y,-x,z   0.0000000000  1.0000000000  0.0000000000  0.0000000000 -1.0000000000 0.0000000000  
0.0000000000  0.0000000000 0.0000000000  0.0000000000  1.0000000000  0.0000000000 
16 'crystal symmetry operation' 16_555 -y,x,z   0.0000000000  -1.0000000000 0.0000000000  0.0000000000 1.0000000000  0.0000000000  
0.0000000000  0.0000000000 0.0000000000  0.0000000000  1.0000000000  0.0000000000 
17 'crystal symmetry operation' 17_555 x,z,-y   1.0000000000  0.0000000000  0.0000000000  0.0000000000 0.0000000000  0.0000000000  
1.0000000000  0.0000000000 0.0000000000  -1.0000000000 0.0000000000  0.0000000000 
18 'crystal symmetry operation' 18_555 -x,z,y   -1.0000000000 0.0000000000  0.0000000000  0.0000000000 0.0000000000  0.0000000000  
1.0000000000  0.0000000000 0.0000000000  1.0000000000  0.0000000000  0.0000000000 
19 'crystal symmetry operation' 19_555 -x,-z,-y -1.0000000000 0.0000000000  0.0000000000  0.0000000000 0.0000000000  0.0000000000  
-1.0000000000 0.0000000000 0.0000000000  -1.0000000000 0.0000000000  0.0000000000 
20 'crystal symmetry operation' 20_555 x,-z,y   1.0000000000  0.0000000000  0.0000000000  0.0000000000 0.0000000000  0.0000000000  
-1.0000000000 0.0000000000 0.0000000000  1.0000000000  0.0000000000  0.0000000000 
21 'crystal symmetry operation' 21_555 z,y,-x   0.0000000000  0.0000000000  1.0000000000  0.0000000000 0.0000000000  1.0000000000  
0.0000000000  0.0000000000 -1.0000000000 0.0000000000  0.0000000000  0.0000000000 
22 'crystal symmetry operation' 22_555 z,-y,x   0.0000000000  0.0000000000  1.0000000000  0.0000000000 0.0000000000  -1.0000000000 
0.0000000000  0.0000000000 1.0000000000  0.0000000000  0.0000000000  0.0000000000 
23 'crystal symmetry operation' 23_555 -z,y,x   0.0000000000  0.0000000000  -1.0000000000 0.0000000000 0.0000000000  1.0000000000  
0.0000000000  0.0000000000 1.0000000000  0.0000000000  0.0000000000  0.0000000000 
24 'crystal symmetry operation' 24_555 -z,-y,-x 0.0000000000  0.0000000000  -1.0000000000 0.0000000000 0.0000000000  -1.0000000000 
0.0000000000  0.0000000000 -1.0000000000 0.0000000000  0.0000000000  0.0000000000 
# 
loop_
_struct_conf.conf_type_id 
_struct_conf.id 
_struct_conf.pdbx_PDB_helix_id 
_struct_conf.beg_label_comp_id 
_struct_conf.beg_label_asym_id 
_struct_conf.beg_label_seq_id 
_struct_conf.pdbx_beg_PDB_ins_code 
_struct_conf.end_label_comp_id 
_struct_conf.end_label_asym_id 
_struct_conf.end_label_seq_id 
_struct_conf.pdbx_end_PDB_ins_code 
_struct_conf.beg_auth_comp_id 
_struct_conf.beg_auth_asym_id 
_struct_conf.beg_auth_seq_id 
_struct_conf.end_auth_comp_id 
_struct_conf.end_auth_asym_id 
_struct_conf.end_auth_seq_id 
_struct_conf.pdbx_PDB_helix_class 
_struct_conf.details 
_struct_conf.pdbx_PDB_helix_length 
HELX_P HELX_P1 AA1 SER A 9   ? ASP A 38  ? SER A 9   ASP A 38  1 ? 30 
HELX_P HELX_P2 AA2 LEU A 44  ? GLY A 73  ? LEU A 44  GLY A 73  1 ? 30 
HELX_P HELX_P3 AA3 THR A 91  ? GLN A 120 ? THR A 91  GLN A 120 1 ? 30 
HELX_P HELX_P4 AA4 ASP A 122 ? PHE A 133 ? ASP A 122 PHE A 133 1 ? 12 
HELX_P HELX_P5 AA5 PHE A 133 ? 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  ? ? ? ? ? ? ? 2.477 ? ? 
metalc2  metalc ? ? A CYS 48  SG  ? ? ? 1_555 B CD . CD ? ? A CYS 48  A CD 201 1_555  ? ? ? ? ? ? ? 2.616 ? ? 
metalc3  metalc ? ? A ASP 80  OD1 ? ? ? 1_555 C CD . CD ? ? A ASP 80  A CD 202 1_555  ? ? ? ? ? ? ? 2.481 ? ? 
metalc4  metalc ? ? A ASP 80  OD2 ? ? ? 1_555 C CD . CD ? ? A ASP 80  A CD 202 1_555  ? ? ? ? ? ? ? 2.264 ? ? 
metalc5  metalc ? ? A ASP 80  OD1 ? ? ? 1_555 C CD . CD ? ? A ASP 80  A CD 202 72_555 ? ? ? ? ? ? ? 2.416 ? ? 
metalc6  metalc ? ? A ASP 80  OD2 ? ? ? 1_555 C CD . CD ? ? A ASP 80  A CD 202 72_555 ? ? ? ? ? ? ? 2.276 ? ? 
metalc7  metalc ? ? A GLU 130 OE1 ? ? ? 1_555 E CD . CD ? ? A GLU 130 A CD 204 1_555  ? ? ? ? ? ? ? 2.263 ? ? 
metalc8  metalc ? ? A GLU 130 OE1 ? ? ? 1_555 E CD . CD ? ? A GLU 130 A CD 204 5_555  ? ? ? ? ? ? ? 2.246 ? ? 
metalc9  metalc ? ? A GLU 130 OE1 ? ? ? 1_555 F CD . CD ? ? A GLU 130 A CD 205 1_555  ? ? ? ? ? ? ? 2.532 ? ? 
metalc10 metalc ? ? A GLU 130 OE1 ? ? ? 1_555 F CD . CD ? ? A GLU 130 A CD 205 9_555  ? ? ? ? ? ? ? 2.501 ? ? 
metalc11 metalc ? ? A HIS 132 NE2 ? ? ? 1_555 G CD . CD ? ? A HIS 132 A CD 206 1_555  ? ? ? ? ? ? ? 2.502 ? ? 
# 
_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_555 118.7 ? 
2 OD1 ? A ASP 80  ? A ASP 80  ? 1_555 CD ? C CD . ? A CD 202 ? 1_555 OD2 ? A ASP 80  ? A ASP 80  ? 1_555 54.6  ? 
3 OD1 ? A ASP 80  ? A ASP 80  ? 1_555 CD ? C CD . ? A CD 202 ? 1_555 OD1 ? A ASP 80  ? A ASP 80  ? 1_555 0.0   ? 
4 OD2 ? A ASP 80  ? A ASP 80  ? 1_555 CD ? C CD . ? A CD 202 ? 1_555 OD1 ? A ASP 80  ? A ASP 80  ? 1_555 54.6  ? 
5 OD1 ? A ASP 80  ? A ASP 80  ? 1_555 CD ? C CD . ? A CD 202 ? 1_555 OD2 ? A ASP 80  ? A ASP 80  ? 1_555 54.6  ? 
6 OD2 ? A ASP 80  ? A ASP 80  ? 1_555 CD ? C CD . ? A CD 202 ? 1_555 OD2 ? A ASP 80  ? A ASP 80  ? 1_555 0.0   ? 
7 OD1 ? A ASP 80  ? A ASP 80  ? 1_555 CD ? C CD . ? A CD 202 ? 1_555 OD2 ? A ASP 80  ? A ASP 80  ? 1_555 54.6  ? 
8 OE1 ? A GLU 130 ? A GLU 130 ? 1_555 CD ? E CD . ? A CD 204 ? 1_555 OE1 ? A GLU 130 ? A GLU 130 ? 1_555 0.0   ? 
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                   9KRS 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.has_ligand_of_interest     N 
_pdbx_entry_details.has_protein_modification   N 
# 
loop_
_pdbx_validate_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  ? ? -124.45 -62.80 
2 1 PHE A 133 ? ? -131.90 -44.53 
3 1 GLN A 158 ? ? -113.15 70.49  
# 
_pdbx_validate_planes.id              1 
_pdbx_validate_planes.PDB_model_num   1 
_pdbx_validate_planes.auth_comp_id    ARG 
_pdbx_validate_planes.auth_asym_id    A 
_pdbx_validate_planes.auth_seq_id     64 
_pdbx_validate_planes.PDB_ins_code    ? 
_pdbx_validate_planes.label_alt_id    ? 
_pdbx_validate_planes.rmsd            0.246 
_pdbx_validate_planes.type            'SIDE CHAIN' 
# 
loop_
_pdbx_struct_special_symmetry.id 
_pdbx_struct_special_symmetry.PDB_model_num 
_pdbx_struct_special_symmetry.auth_asym_id 
_pdbx_struct_special_symmetry.auth_comp_id 
_pdbx_struct_special_symmetry.auth_seq_id 
_pdbx_struct_special_symmetry.PDB_ins_code 
_pdbx_struct_special_symmetry.label_asym_id 
_pdbx_struct_special_symmetry.label_comp_id 
_pdbx_struct_special_symmetry.label_seq_id 
1 1 A CD  202 ? C CD  . 
2 1 A CD  203 ? D CD  . 
3 1 A CD  204 ? E CD  . 
4 1 A HOH 455 ? O HOH . 
# 
_pdbx_distant_solvent_atoms.id                                1 
_pdbx_distant_solvent_atoms.PDB_model_num                     1 
_pdbx_distant_solvent_atoms.auth_atom_id                      O 
_pdbx_distant_solvent_atoms.label_alt_id                      ? 
_pdbx_distant_solvent_atoms.auth_asym_id                      A 
_pdbx_distant_solvent_atoms.auth_comp_id                      HOH 
_pdbx_distant_solvent_atoms.auth_seq_id                       496 
_pdbx_distant_solvent_atoms.PDB_ins_code                      ? 
_pdbx_distant_solvent_atoms.neighbor_macromolecule_distance   6.22 
_pdbx_distant_solvent_atoms.neighbor_ligand_distance          . 
# 
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                    9KRS 
_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]   0.005519 
_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]   0.005519 
_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]   0.005519 
_atom_sites.fract_transf_vector[1]      0.00000 
_atom_sites.fract_transf_vector[2]      0.00000 
_atom_sites.fract_transf_vector[3]      0.00000 
_atom_sites.solution_primary            ? 
_atom_sites.solution_secondary          ? 
_atom_sites.solution_hydrogens          ? 
_atom_sites.special_details             ? 
# 
loop_
_atom_type.symbol 
C  
CD 
CL 
N  
O  
S  
# 
loop_
_atom_site.group_PDB 
_atom_site.id 
_atom_site.type_symbol 
_atom_site.label_atom_id 
_atom_site.label_alt_id 
_atom_site.label_comp_id 
_atom_site.label_asym_id 
_atom_site.label_entity_id 
_atom_site.label_seq_id 
_atom_site.pdbx_PDB_ins_code 
_atom_site.Cartn_x 
_atom_site.Cartn_y 
_atom_site.Cartn_z 
_atom_site.occupancy 
_atom_site.B_iso_or_equiv 
_atom_site.pdbx_formal_charge 
_atom_site.auth_seq_id 
_atom_site.auth_comp_id 
_atom_site.auth_asym_id 
_atom_site.auth_atom_id 
_atom_site.pdbx_PDB_model_num 
ATOM   1    N  N   . SER A 1 1   ? 56.413 19.798  22.154 1.00 59.35 ? 1   SER A N   1 
ATOM   2    C  CA  . SER A 1 1   ? 55.550 18.734  22.722 1.00 65.35 ? 1   SER A CA  1 
ATOM   3    C  C   . SER A 1 1   ? 54.377 18.447  21.770 1.00 56.35 ? 1   SER A C   1 
ATOM   4    O  O   . SER A 1 1   ? 54.662 18.021  20.625 1.00 57.29 ? 1   SER A O   1 
ATOM   5    N  N   . SER A 1 2   ? 53.146 18.717  22.193 1.00 47.90 ? 2   SER A N   1 
ATOM   6    C  CA  . SER A 1 2   ? 51.987 18.334  21.335 1.00 35.27 ? 2   SER A CA  1 
ATOM   7    C  C   . SER A 1 2   ? 51.831 19.253  20.114 1.00 33.28 ? 2   SER A C   1 
ATOM   8    O  O   . SER A 1 2   ? 52.010 20.490  20.249 1.00 34.33 ? 2   SER A O   1 
ATOM   9    C  CB  . SER A 1 2   ? 50.649 18.120  22.096 1.00 31.88 ? 2   SER A CB  1 
ATOM   10   O  OG  . SER A 1 2   ? 49.510 18.003  21.259 1.00 27.24 ? 2   SER A OG  1 
ATOM   11   N  N   . GLN A 1 3   ? 51.447 18.662  18.997 1.00 32.04 ? 3   GLN A N   1 
ATOM   12   C  CA  . GLN A 1 3   ? 51.212 19.434  17.761 1.00 23.44 ? 3   GLN A CA  1 
ATOM   13   C  C   . GLN A 1 3   ? 49.874 20.170  17.845 1.00 19.96 ? 3   GLN A C   1 
ATOM   14   O  O   . GLN A 1 3   ? 49.670 21.052  17.045 1.00 21.06 ? 3   GLN A O   1 
ATOM   15   C  CB  . GLN A 1 3   ? 51.217 18.456  16.587 1.00 21.26 ? 3   GLN A CB  1 
ATOM   16   C  CG  . GLN A 1 3   ? 52.608 17.922  16.258 1.00 40.56 ? 3   GLN A CG  1 
ATOM   17   C  CD  . GLN A 1 3   ? 52.651 17.019  15.043 1.00 48.57 ? 3   GLN A CD  1 
ATOM   18   O  OE1 . GLN A 1 3   ? 51.646 16.424  14.644 1.00 38.12 ? 3   GLN A OE1 1 
ATOM   19   N  NE2 . GLN A 1 3   ? 53.824 16.905  14.439 1.00 34.86 ? 3   GLN A NE2 1 
ATOM   20   N  N   . ILE A 1 4   ? 49.007 19.806  18.793 1.00 15.69 ? 4   ILE A N   1 
ATOM   21   C  CA  . ILE A 1 4   ? 47.650 20.437  18.825 1.00 12.29 ? 4   ILE A CA  1 
ATOM   22   C  C   . ILE A 1 4   ? 47.403 21.222  20.117 1.00 13.30 ? 4   ILE A C   1 
ATOM   23   O  O   . ILE A 1 4   ? 46.558 22.097  20.111 1.00 14.37 ? 4   ILE A O   1 
ATOM   24   C  CB  . ILE A 1 4   ? 46.541 19.368  18.658 1.00 13.34 ? 4   ILE A CB  1 
ATOM   25   C  CG1 . ILE A 1 4   ? 46.408 18.463  19.884 1.00 15.71 ? 4   ILE A CG1 1 
ATOM   26   C  CG2 . ILE A 1 4   ? 46.747 18.567  17.385 1.00 15.32 ? 4   ILE A CG2 1 
ATOM   27   C  CD1 . ILE A 1 4   ? 45.164 17.612  19.867 1.00 17.36 ? 4   ILE A CD1 1 
ATOM   28   N  N   . ARG A 1 5   ? 48.149 20.918  21.161 1.00 12.01 ? 5   ARG A N   1 
ATOM   29   C  CA  . ARG A 1 5   ? 47.829 21.509  22.479 1.00 12.49 ? 5   ARG A CA  1 
ATOM   30   C  C   . ARG A 1 5   ? 47.901 23.028  22.452 1.00 12.72 ? 5   ARG A C   1 
ATOM   31   O  O   . ARG A 1 5   ? 48.910 23.550  22.029 1.00 13.88 ? 5   ARG A O   1 
ATOM   32   C  CB  . ARG A 1 5   ? 48.799 20.971  23.524 1.00 13.26 ? 5   ARG A CB  1 
ATOM   33   C  CG  . ARG A 1 5   ? 48.316 21.120  24.958 1.00 12.04 ? 5   ARG A CG  1 
ATOM   34   C  CD  . ARG A 1 5   ? 49.323 20.521  25.917 1.00 15.33 ? 5   ARG A CD  1 
ATOM   35   N  NE  . ARG A 1 5   ? 48.892 20.710  27.290 1.00 15.25 ? 5   ARG A NE  1 
ATOM   36   C  CZ  . ARG A 1 5   ? 49.104 19.843  28.266 1.00 13.45 ? 5   ARG A CZ  1 
ATOM   37   N  NH1 . ARG A 1 5   ? 49.758 18.722  28.022 1.00 14.31 ? 5   ARG A NH1 1 
ATOM   38   N  NH2 . ARG A 1 5   ? 48.669 20.103  29.483 1.00 13.57 ? 5   ARG A NH2 1 
ATOM   39   N  N   . GLN A 1 6   ? 46.869 23.657  23.001 1.00 10.29 ? 6   GLN A N   1 
ATOM   40   C  CA  . GLN A 1 6   ? 46.811 25.136  22.987 1.00 10.17 ? 6   GLN A CA  1 
ATOM   41   C  C   . GLN A 1 6   ? 45.906 25.601  24.133 1.00 11.11 ? 6   GLN A C   1 
ATOM   42   O  O   . GLN A 1 6   ? 44.783 25.156  24.196 1.00 12.10 ? 6   GLN A O   1 
ATOM   43   C  CB  . GLN A 1 6   ? 46.321 25.634  21.619 1.00 9.77  ? 6   GLN A CB  1 
ATOM   44   C  CG  . GLN A 1 6   ? 46.373 27.148  21.464 1.00 13.36 ? 6   GLN A CG  1 
ATOM   45   C  CD  . GLN A 1 6   ? 45.991 27.569  20.068 1.00 12.18 ? 6   GLN A CD  1 
ATOM   46   O  OE1 . GLN A 1 6   ? 45.245 26.885  19.379 1.00 13.20 ? 6   GLN A OE1 1 
ATOM   47   N  NE2 . GLN A 1 6   ? 46.521 28.698  19.636 1.00 13.45 ? 6   GLN A NE2 1 
ATOM   48   N  N   . ASN A 1 7   ? 46.455 26.436  25.007 1.00 10.45 ? 7   ASN A N   1 
ATOM   49   C  CA  . ASN A 1 7   ? 45.668 26.981  26.138 1.00 9.92  ? 7   ASN A CA  1 
ATOM   50   C  C   . ASN A 1 7   ? 45.216 25.867  27.077 1.00 11.51 ? 7   ASN A C   1 
ATOM   51   O  O   . ASN A 1 7   ? 44.181 26.019  27.698 1.00 11.84 ? 7   ASN A O   1 
ATOM   52   C  CB  . ASN A 1 7   ? 44.465 27.783  25.660 1.00 11.75 ? 7   ASN A CB  1 
ATOM   53   C  CG  . ASN A 1 7   ? 43.972 28.708  26.754 1.00 10.82 ? 7   ASN A CG  1 
ATOM   54   O  OD1 . ASN A 1 7   ? 44.768 29.234  27.523 1.00 14.19 ? 7   ASN A OD1 1 
ATOM   55   N  ND2 . ASN A 1 7   ? 42.668 28.885  26.848 1.00 10.63 ? 7   ASN A ND2 1 
ATOM   56   N  N   . TYR A 1 8   ? 46.025 24.815  27.177 1.00 10.83 ? 8   TYR A N   1 
ATOM   57   C  CA  . TYR A 1 8   ? 45.625 23.656  28.005 1.00 13.15 ? 8   TYR A CA  1 
ATOM   58   C  C   . TYR A 1 8   ? 46.709 23.419  29.059 1.00 12.22 ? 8   TYR A C   1 
ATOM   59   O  O   . TYR A 1 8   ? 47.721 22.812  28.771 1.00 13.68 ? 8   TYR A O   1 
ATOM   60   C  CB  . TYR A 1 8   ? 45.344 22.436  27.125 1.00 12.21 ? 8   TYR A CB  1 
ATOM   61   C  CG  . TYR A 1 8   ? 44.590 21.330  27.820 1.00 10.96 ? 8   TYR A CG  1 
ATOM   62   C  CD1 . TYR A 1 8   ? 43.320 21.538  28.324 1.00 11.72 ? 8   TYR A CD1 1 
ATOM   63   C  CD2 . TYR A 1 8   ? 45.155 20.080  27.992 1.00 10.68 ? 8   TYR A CD2 1 
ATOM   64   C  CE1 . TYR A 1 8   ? 42.615 20.527  28.951 1.00 11.48 ? 8   TYR A CE1 1 
ATOM   65   C  CE2 . TYR A 1 8   ? 44.465 19.059  28.622 1.00 11.12 ? 8   TYR A CE2 1 
ATOM   66   C  CZ  . TYR A 1 8   ? 43.193 19.284  29.112 1.00 9.89  ? 8   TYR A CZ  1 
ATOM   67   O  OH  . TYR A 1 8   ? 42.507 18.287  29.741 1.00 12.83 ? 8   TYR A OH  1 
ATOM   68   N  N   . SER A 1 9   ? 46.432 23.893  30.261 1.00 10.56 ? 9   SER A N   1 
ATOM   69   C  CA  . SER A 1 9   ? 47.438 23.834  31.343 1.00 12.06 ? 9   SER A CA  1 
ATOM   70   C  C   . SER A 1 9   ? 47.697 22.426  31.880 1.00 13.59 ? 9   SER A C   1 
ATOM   71   O  O   . SER A 1 9   ? 46.852 21.579  31.775 1.00 12.70 ? 9   SER A O   1 
ATOM   72   C  CB  . SER A 1 9   ? 47.021 24.742  32.467 1.00 13.44 ? 9   SER A CB  1 
ATOM   73   O  OG  . SER A 1 9   ? 45.889 24.243  33.151 1.00 14.37 ? 9   SER A OG  1 
ATOM   74   N  N   . THR A 1 10  ? 48.900 22.256  32.427 1.00 13.50 ? 10  THR A N   1 
ATOM   75   C  CA  . THR A 1 10  ? 49.237 20.978  33.088 1.00 12.95 ? 10  THR A CA  1 
ATOM   76   C  C   . THR A 1 10  ? 48.295 20.760  34.276 1.00 11.24 ? 10  THR A C   1 
ATOM   77   O  O   . THR A 1 10  ? 48.004 19.637  34.572 1.00 12.52 ? 10  THR A O   1 
ATOM   78   C  CB  . THR A 1 10  ? 50.703 21.026  33.529 1.00 16.95 ? 10  THR A CB  1 
ATOM   79   O  OG1 . THR A 1 10  ? 50.885 22.147  34.390 1.00 19.70 ? 10  THR A OG1 1 
ATOM   80   C  CG2 . THR A 1 10  ? 51.646 21.109  32.351 1.00 17.65 ? 10  THR A CG2 1 
ATOM   81   N  N   . GLU A 1 11  ? 47.884 21.842  34.918 1.00 12.04 ? 11  GLU A N   1 
ATOM   82   C  CA  . GLU A 1 11  ? 47.016 21.709  36.116 1.00 11.40 ? 11  GLU A CA  1 
ATOM   83   C  C   . GLU A 1 11  ? 45.652 21.135  35.695 1.00 11.19 ? 11  GLU A C   1 
ATOM   84   O  O   . GLU A 1 11  ? 45.150 20.276  36.377 1.00 12.82 ? 11  GLU A O   1 
ATOM   85   C  CB  . GLU A 1 11  ? 46.874 23.042  36.858 1.00 15.38 ? 11  GLU A CB  1 
ATOM   86   C  CG  . GLU A 1 11  ? 48.171 23.535  37.460 1.00 16.71 ? 11  GLU A CG  1 
ATOM   87   C  CD  . GLU A 1 11  ? 49.045 24.385  36.554 1.00 20.13 ? 11  GLU A CD  1 
ATOM   88   O  OE1 . GLU A 1 11  ? 48.673 24.604  35.394 1.00 17.30 ? 11  GLU A OE1 1 
ATOM   89   O  OE2 . GLU A 1 11  ? 50.106 24.812  37.019 1.00 25.76 ? 11  GLU A OE2 1 
ATOM   90   N  N   . VAL A 1 12  ? 45.109 21.666  34.612 1.00 12.56 ? 12  VAL A N   1 
ATOM   91   C  CA  . VAL A 1 12  ? 43.788 21.177  34.117 1.00 12.02 ? 12  VAL A CA  1 
ATOM   92   C  C   . VAL A 1 12  ? 43.949 19.726  33.641 1.00 9.49  ? 12  VAL A C   1 
ATOM   93   O  O   . VAL A 1 12  ? 43.144 18.897  33.982 1.00 10.22 ? 12  VAL A O   1 
ATOM   94   C  CB  . VAL A 1 12  ? 43.227 22.102  33.017 1.00 11.52 ? 12  VAL A CB  1 
ATOM   95   C  CG1 . VAL A 1 12  ? 42.115 21.427  32.232 1.00 11.08 ? 12  VAL A CG1 1 
ATOM   96   C  CG2 . VAL A 1 12  ? 42.726 23.413  33.604 1.00 12.60 ? 12  VAL A CG2 1 
ATOM   97   N  N   . GLU A 1 13  ? 45.011 19.470  32.888 1.00 10.68 ? 13  GLU A N   1 
ATOM   98   C  CA  . GLU A 1 13  ? 45.256 18.093  32.400 1.00 10.25 ? 13  GLU A CA  1 
ATOM   99   C  C   . GLU A 1 13  ? 45.261 17.108  33.581 1.00 10.65 ? 13  GLU A C   1 
ATOM   100  O  O   . GLU A 1 13  ? 44.623 16.073  33.490 1.00 10.97 ? 13  GLU A O   1 
ATOM   101  C  CB  . GLU A 1 13  ? 46.566 18.065  31.607 1.00 10.93 ? 13  GLU A CB  1 
ATOM   102  C  CG  . GLU A 1 13  ? 47.023 16.677  31.201 1.00 10.40 ? 13  GLU A CG  1 
ATOM   103  C  CD  . GLU A 1 13  ? 48.384 16.684  30.526 1.00 12.60 ? 13  GLU A CD  1 
ATOM   104  O  OE1 . GLU A 1 13  ? 49.122 17.651  30.726 1.00 14.73 ? 13  GLU A OE1 1 
ATOM   105  O  OE2 . GLU A 1 13  ? 48.691 15.733  29.807 1.00 14.94 ? 13  GLU A OE2 1 
ATOM   106  N  N   . ALA A 1 14  ? 45.997 17.456  34.636 1.00 11.03 ? 14  ALA A N   1 
ATOM   107  C  CA  . ALA A 1 14  ? 46.066 16.549  35.800 1.00 10.27 ? 14  ALA A CA  1 
ATOM   108  C  C   . ALA A 1 14  ? 44.692 16.426  36.470 1.00 10.23 ? 14  ALA A C   1 
ATOM   109  O  O   . ALA A 1 14  ? 44.343 15.342  36.899 1.00 11.31 ? 14  ALA A O   1 
ATOM   110  C  CB  . ALA A 1 14  ? 47.103 17.053  36.784 1.00 11.99 ? 14  ALA A CB  1 
ATOM   111  N  N   . ALA A 1 15  ? 44.011 17.552  36.616 1.00 10.95 ? 15  ALA A N   1 
ATOM   112  C  CA  . ALA A 1 15  ? 42.706 17.516  37.301 1.00 11.32 ? 15  ALA A CA  1 
ATOM   113  C  C   . ALA A 1 15  ? 41.687 16.714  36.477 1.00 11.84 ? 15  ALA A C   1 
ATOM   114  O  O   . ALA A 1 15  ? 40.796 16.135  37.059 1.00 11.58 ? 15  ALA A O   1 
ATOM   115  C  CB  . ALA A 1 15  ? 42.211 18.913  37.534 1.00 13.05 ? 15  ALA A CB  1 
ATOM   116  N  N   . VAL A 1 16  ? 41.841 16.746  35.158 1.00 10.71 ? 16  VAL A N   1 
ATOM   117  C  CA  . VAL A 1 16  ? 40.920 15.949  34.293 1.00 9.54  ? 16  VAL A CA  1 
ATOM   118  C  C   . VAL A 1 16  ? 41.164 14.452  34.547 1.00 9.94  ? 16  VAL A C   1 
ATOM   119  O  O   . VAL A 1 16  ? 40.229 13.716  34.700 1.00 10.55 ? 16  VAL A O   1 
ATOM   120  C  CB  . VAL A 1 16  ? 41.089 16.347  32.810 1.00 10.14 ? 16  VAL A CB  1 
ATOM   121  C  CG1 . VAL A 1 16  ? 40.438 15.337  31.877 1.00 9.82  ? 16  VAL A CG1 1 
ATOM   122  C  CG2 . VAL A 1 16  ? 40.530 17.739  32.550 1.00 11.60 ? 16  VAL A CG2 1 
ATOM   123  N  N   . ASN A 1 17  ? 42.428 14.080  34.633 1.00 10.40 ? 17  ASN A N   1 
ATOM   124  C  CA  . ASN A 1 17  ? 42.767 12.665  34.912 1.00 9.91  ? 17  ASN A CA  1 
ATOM   125  C  C   . ASN A 1 17  ? 42.205 12.262  36.290 1.00 11.69 ? 17  ASN A C   1 
ATOM   126  O  O   . ASN A 1 17  ? 41.732 11.162  36.441 1.00 10.86 ? 17  ASN A O   1 
ATOM   127  C  CB  . ASN A 1 17  ? 44.278 12.452  34.818 1.00 9.67  ? 17  ASN A CB  1 
ATOM   128  C  CG  . ASN A 1 17  ? 44.769 12.340  33.393 1.00 9.90  ? 17  ASN A CG  1 
ATOM   129  O  OD1 . ASN A 1 17  ? 44.038 11.890  32.524 1.00 9.84  ? 17  ASN A OD1 1 
ATOM   130  N  ND2 . ASN A 1 17  ? 46.003 12.749  33.156 1.00 13.02 ? 17  ASN A ND2 1 
ATOM   131  N  N   . ARG A 1 18  ? 42.352 13.165  37.258 1.00 10.61 ? 18  ARG A N   1 
ATOM   132  C  CA  A ARG A 1 18  ? 41.784 12.855  38.601 0.57 11.27 ? 18  ARG A CA  1 
ATOM   133  C  CA  B ARG A 1 18  ? 41.790 12.864  38.604 0.43 11.30 ? 18  ARG A CA  1 
ATOM   134  C  C   . ARG A 1 18  ? 40.245 12.676  38.573 1.00 12.74 ? 18  ARG A C   1 
ATOM   135  O  O   . ARG A 1 18  ? 39.585 11.764  39.137 1.00 11.68 ? 18  ARG A O   1 
ATOM   136  C  CB  A ARG A 1 18  ? 42.238 13.910  39.616 0.57 12.69 ? 18  ARG A CB  1 
ATOM   137  C  CB  B ARG A 1 18  ? 42.212 13.949  39.603 0.43 12.70 ? 18  ARG A CB  1 
ATOM   138  C  CG  A ARG A 1 18  ? 43.649 13.654  40.122 0.57 16.85 ? 18  ARG A CG  1 
ATOM   139  C  CG  B ARG A 1 18  ? 41.680 13.734  41.011 0.43 17.14 ? 18  ARG A CG  1 
ATOM   140  C  CD  A ARG A 1 18  ? 44.015 14.530  41.298 0.57 21.20 ? 18  ARG A CD  1 
ATOM   141  C  CD  B ARG A 1 18  ? 41.887 14.963  41.873 0.43 17.63 ? 18  ARG A CD  1 
ATOM   142  N  NE  A ARG A 1 18  ? 43.937 15.923  40.902 0.57 28.21 ? 18  ARG A NE  1 
ATOM   143  N  NE  B ARG A 1 18  ? 40.646 15.708  42.023 0.43 27.16 ? 18  ARG A NE  1 
ATOM   144  C  CZ  A ARG A 1 18  ? 44.947 16.617  40.398 0.57 17.22 ? 18  ARG A CZ  1 
ATOM   145  C  CZ  B ARG A 1 18  ? 39.733 15.447  42.949 0.43 22.33 ? 18  ARG A CZ  1 
ATOM   146  N  NH1 A ARG A 1 18  ? 46.131 16.050  40.242 0.57 23.60 ? 18  ARG A NH1 1 
ATOM   147  N  NH1 B ARG A 1 18  ? 39.930 14.469  43.813 0.43 30.47 ? 18  ARG A NH1 1 
ATOM   148  N  NH2 A ARG A 1 18  ? 44.769 17.879  40.068 0.57 12.90 ? 18  ARG A NH2 1 
ATOM   149  N  NH2 B ARG A 1 18  ? 38.626 16.164  43.009 0.43 29.15 ? 18  ARG A NH2 1 
ATOM   150  N  N   . LEU A 1 19  ? 39.651 13.542  37.761 1.00 11.64 ? 19  LEU A N   1 
ATOM   151  C  CA  . LEU A 1 19  ? 38.164 13.496  37.651 1.00 10.93 ? 19  LEU A CA  1 
ATOM   152  C  C   . LEU A 1 19  ? 37.711 12.210  36.936 1.00 11.70 ? 19  LEU A C   1 
ATOM   153  O  O   . LEU A 1 19  ? 36.671 11.680  37.290 1.00 11.17 ? 19  LEU A O   1 
ATOM   154  C  CB  . LEU A 1 19  ? 37.667 14.748  36.926 1.00 11.40 ? 19  LEU A CB  1 
ATOM   155  C  CG  . LEU A 1 19  ? 36.156 14.983  36.937 1.00 11.45 ? 19  LEU A CG  1 
ATOM   156  C  CD1 . LEU A 1 19  ? 35.638 15.154  38.355 1.00 13.11 ? 19  LEU A CD1 1 
ATOM   157  C  CD2 . LEU A 1 19  ? 35.795 16.191  36.087 1.00 13.54 ? 19  LEU A CD2 1 
ATOM   158  N  N   . VAL A 1 20  ? 38.492 11.753  35.975 1.00 10.35 ? 20  VAL A N   1 
ATOM   159  C  CA  . VAL A 1 20  ? 38.179 10.455  35.317 1.00 9.81  ? 20  VAL A CA  1 
ATOM   160  C  C   . VAL A 1 20  ? 38.181 9.361   36.397 1.00 10.75 ? 20  VAL A C   1 
ATOM   161  O  O   . VAL A 1 20  ? 37.308 8.528   36.407 1.00 10.90 ? 20  VAL A O   1 
ATOM   162  C  CB  . VAL A 1 20  ? 39.206 10.167  34.200 1.00 10.48 ? 20  VAL A CB  1 
ATOM   163  C  CG1 . VAL A 1 20  ? 39.139 8.724   33.723 1.00 10.03 ? 20  VAL A CG1 1 
ATOM   164  C  CG2 . VAL A 1 20  ? 39.019 11.115  33.027 1.00 11.63 ? 20  VAL A CG2 1 
ATOM   165  N  N   . ASN A 1 21  ? 39.199 9.393   37.247 1.00 11.27 ? 21  ASN A N   1 
ATOM   166  C  CA  . ASN A 1 21  ? 39.310 8.379   38.321 1.00 10.05 ? 21  ASN A CA  1 
ATOM   167  C  C   . ASN A 1 21  ? 38.059 8.444   39.208 1.00 8.99  ? 21  ASN A C   1 
ATOM   168  O  O   . ASN A 1 21  ? 37.511 7.422   39.539 1.00 11.06 ? 21  ASN A O   1 
ATOM   169  C  CB  . ASN A 1 21  ? 40.614 8.566   39.098 1.00 9.92  ? 21  ASN A CB  1 
ATOM   170  C  CG  . ASN A 1 21  ? 40.859 7.457   40.098 1.00 11.22 ? 21  ASN A CG  1 
ATOM   171  O  OD1 . ASN A 1 21  ? 40.443 7.550   41.246 1.00 18.55 ? 21  ASN A OD1 1 
ATOM   172  N  ND2 . ASN A 1 21  ? 41.533 6.407   39.665 1.00 13.02 ? 21  ASN A ND2 1 
ATOM   173  N  N   . LEU A 1 22  ? 37.651 9.658   39.533 1.00 11.36 ? 22  LEU A N   1 
ATOM   174  C  CA  . LEU A 1 22  ? 36.477 9.800   40.435 1.00 10.26 ? 22  LEU A CA  1 
ATOM   175  C  C   . LEU A 1 22  ? 35.219 9.240   39.758 1.00 10.44 ? 22  LEU A C   1 
ATOM   176  O  O   . LEU A 1 22  ? 34.394 8.664   40.421 1.00 10.97 ? 22  LEU A O   1 
ATOM   177  C  CB  . LEU A 1 22  ? 36.282 11.283  40.774 1.00 11.21 ? 22  LEU A CB  1 
ATOM   178  C  CG  . LEU A 1 22  ? 37.346 11.879  41.689 1.00 14.03 ? 22  LEU A CG  1 
ATOM   179  C  CD1 . LEU A 1 22  ? 37.102 13.364  41.891 1.00 16.60 ? 22  LEU A CD1 1 
ATOM   180  C  CD2 . LEU A 1 22  ? 37.359 11.160  43.028 1.00 18.32 ? 22  LEU A CD2 1 
ATOM   181  N  N   . TYR A 1 23  ? 35.099 9.503   38.466 1.00 9.89  ? 23  TYR A N   1 
ATOM   182  C  CA  . TYR A 1 23  ? 33.894 9.014   37.757 1.00 8.60  ? 23  TYR A CA  1 
ATOM   183  C  C   . TYR A 1 23  ? 33.913 7.485   37.641 1.00 12.23 ? 23  TYR A C   1 
ATOM   184  O  O   . TYR A 1 23  ? 32.886 6.867   37.754 1.00 11.93 ? 23  TYR A O   1 
ATOM   185  C  CB  . TYR A 1 23  ? 33.750 9.688   36.390 1.00 9.23  ? 23  TYR A CB  1 
ATOM   186  C  CG  . TYR A 1 23  ? 32.885 10.917  36.470 1.00 11.22 ? 23  TYR A CG  1 
ATOM   187  C  CD1 . TYR A 1 23  ? 33.356 12.064  37.082 1.00 11.63 ? 23  TYR A CD1 1 
ATOM   188  C  CD2 . TYR A 1 23  ? 31.581 10.914  36.009 1.00 12.09 ? 23  TYR A CD2 1 
ATOM   189  C  CE1 . TYR A 1 23  ? 32.569 13.193  37.205 1.00 16.16 ? 23  TYR A CE1 1 
ATOM   190  C  CE2 . TYR A 1 23  ? 30.778 12.034  36.123 1.00 12.00 ? 23  TYR A CE2 1 
ATOM   191  C  CZ  . TYR A 1 23  ? 31.274 13.174  36.729 1.00 13.70 ? 23  TYR A CZ  1 
ATOM   192  O  OH  . TYR A 1 23  ? 30.502 14.287  36.860 1.00 17.45 ? 23  TYR A OH  1 
ATOM   193  N  N   . LEU A 1 24  ? 35.091 6.942   37.366 1.00 11.60 ? 24  LEU A N   1 
ATOM   194  C  CA  . LEU A 1 24  ? 35.176 5.460   37.306 1.00 10.14 ? 24  LEU A CA  1 
ATOM   195  C  C   . LEU A 1 24  ? 34.964 4.841   38.699 1.00 11.29 ? 24  LEU A C   1 
ATOM   196  O  O   . LEU A 1 24  ? 34.390 3.775   38.775 1.00 11.11 ? 24  LEU A O   1 
ATOM   197  C  CB  . LEU A 1 24  ? 36.521 5.038   36.704 1.00 10.14 ? 24  LEU A CB  1 
ATOM   198  C  CG  . LEU A 1 24  ? 36.713 5.367   35.227 1.00 11.42 ? 24  LEU A CG  1 
ATOM   199  C  CD1 . LEU A 1 24  ? 38.122 5.015   34.782 1.00 13.80 ? 24  LEU A CD1 1 
ATOM   200  C  CD2 . LEU A 1 24  ? 35.688 4.637   34.374 1.00 12.89 ? 24  LEU A CD2 1 
ATOM   201  N  N   . ARG A 1 25  ? 35.491 5.504   39.721 1.00 10.60 ? 25  ARG A N   1 
ATOM   202  C  CA  A ARG A 1 25  ? 35.201 4.995   41.108 0.54 11.30 ? 25  ARG A CA  1 
ATOM   203  C  CA  B ARG A 1 25  ? 35.198 5.007   41.093 0.46 11.32 ? 25  ARG A CA  1 
ATOM   204  C  C   . ARG A 1 25  ? 33.671 5.011   41.408 1.00 10.24 ? 25  ARG A C   1 
ATOM   205  O  O   . ARG A 1 25  ? 33.074 4.150   42.087 0.80 8.52  ? 25  ARG A O   1 
ATOM   206  C  CB  A ARG A 1 25  ? 36.000 5.839   42.104 0.54 14.80 ? 25  ARG A CB  1 
ATOM   207  C  CB  B ARG A 1 25  ? 35.907 5.871   42.136 0.46 14.77 ? 25  ARG A CB  1 
ATOM   208  C  CG  A ARG A 1 25  ? 35.674 5.551   43.558 0.54 21.31 ? 25  ARG A CG  1 
ATOM   209  C  CG  B ARG A 1 25  ? 37.407 5.673   42.243 0.46 16.39 ? 25  ARG A CG  1 
ATOM   210  C  CD  A ARG A 1 25  ? 36.870 5.370   44.465 0.54 19.33 ? 25  ARG A CD  1 
ATOM   211  C  CD  B ARG A 1 25  ? 37.876 6.765   43.183 0.46 15.96 ? 25  ARG A CD  1 
ATOM   212  N  NE  A ARG A 1 25  ? 36.505 4.521   45.588 0.54 20.35 ? 25  ARG A NE  1 
ATOM   213  N  NE  B ARG A 1 25  ? 37.510 6.456   44.554 0.46 19.11 ? 25  ARG A NE  1 
ATOM   214  C  CZ  A ARG A 1 25  ? 36.133 4.966   46.781 0.54 27.62 ? 25  ARG A CZ  1 
ATOM   215  C  CZ  B ARG A 1 25  ? 37.675 7.275   45.585 0.46 27.56 ? 25  ARG A CZ  1 
ATOM   216  N  NH1 A ARG A 1 25  ? 36.081 6.266   47.012 0.54 27.84 ? 25  ARG A NH1 1 
ATOM   217  N  NH1 B ARG A 1 25  ? 38.209 8.473   45.401 0.46 18.64 ? 25  ARG A NH1 1 
ATOM   218  N  NH2 A ARG A 1 25  ? 35.832 4.112   47.744 0.54 18.78 ? 25  ARG A NH2 1 
ATOM   219  N  NH2 B ARG A 1 25  ? 37.298 6.893   46.794 0.46 27.72 ? 25  ARG A NH2 1 
ATOM   220  N  N   . ALA A 1 26  ? 33.054 6.114   40.962 1.00 10.46 ? 26  ALA A N   1 
ATOM   221  C  CA  . ALA A 1 26  ? 31.587 6.232   41.137 1.00 10.13 ? 26  ALA A CA  1 
ATOM   222  C  C   . ALA A 1 26  ? 30.881 5.108   40.366 1.00 11.09 ? 26  ALA A C   1 
ATOM   223  O  O   . ALA A 1 26  ? 29.975 4.512   40.897 1.00 10.29 ? 26  ALA A O   1 
ATOM   224  C  CB  . ALA A 1 26  ? 31.097 7.593   40.698 1.00 10.84 ? 26  ALA A CB  1 
ATOM   225  N  N   . SER A 1 27  ? 31.316 4.885   39.130 1.00 10.70 ? 27  SER A N   1 
ATOM   226  C  CA  . SER A 1 27  ? 30.732 3.776   38.328 1.00 9.28  ? 27  SER A CA  1 
ATOM   227  C  C   . SER A 1 27  ? 30.853 2.455   39.093 1.00 12.78 ? 27  SER A C   1 
ATOM   228  O  O   . SER A 1 27  ? 29.905 1.687   39.110 1.00 10.51 ? 27  SER A O   1 
ATOM   229  C  CB  . SER A 1 27  ? 31.440 3.709   36.983 1.00 11.47 ? 27  SER A CB  1 
ATOM   230  O  OG  . SER A 1 27  ? 30.886 2.712   36.150 1.00 12.56 ? 27  SER A OG  1 
ATOM   231  N  N   . TYR A 1 28  ? 32.023 2.243   39.678 1.00 9.43  ? 28  TYR A N   1 
ATOM   232  C  CA  . TYR A 1 28  ? 32.303 0.978   40.409 1.00 8.71  ? 28  TYR A CA  1 
ATOM   233  C  C   . TYR A 1 28  ? 31.400 0.891   41.637 1.00 11.34 ? 28  TYR A C   1 
ATOM   234  O  O   . TYR A 1 28  ? 30.934 -0.182  41.954 1.00 10.99 ? 28  TYR A O   1 
ATOM   235  C  CB  . TYR A 1 28  ? 33.794 0.978   40.786 1.00 11.04 ? 28  TYR A CB  1 
ATOM   236  C  CG  . TYR A 1 28  ? 34.434 -0.345  41.103 1.00 9.15  ? 28  TYR A CG  1 
ATOM   237  C  CD1 . TYR A 1 28  ? 33.871 -1.541  40.703 1.00 11.47 ? 28  TYR A CD1 1 
ATOM   238  C  CD2 . TYR A 1 28  ? 35.629 -0.386  41.791 1.00 11.85 ? 28  TYR A CD2 1 
ATOM   239  C  CE1 . TYR A 1 28  ? 34.478 -2.750  40.991 1.00 13.26 ? 28  TYR A CE1 1 
ATOM   240  C  CE2 . TYR A 1 28  ? 36.249 -1.585  42.086 1.00 13.90 ? 28  TYR A CE2 1 
ATOM   241  C  CZ  . TYR A 1 28  ? 35.674 -2.772  41.679 1.00 12.78 ? 28  TYR A CZ  1 
ATOM   242  O  OH  . TYR A 1 28  ? 36.291 -3.950  41.975 1.00 14.09 ? 28  TYR A OH  1 
ATOM   243  N  N   . THR A 1 29  ? 31.244 2.018   42.335 1.00 10.05 ? 29  THR A N   1 
ATOM   244  C  CA  . THR A 1 29  ? 30.356 2.052   43.525 1.00 10.64 ? 29  THR A CA  1 
ATOM   245  C  C   . THR A 1 29  ? 28.927 1.684   43.105 1.00 9.36  ? 29  THR A C   1 
ATOM   246  O  O   . THR A 1 29  ? 28.285 0.896   43.783 1.00 10.99 ? 29  THR A O   1 
ATOM   247  C  CB  . THR A 1 29  ? 30.476 3.427   44.196 1.00 11.12 ? 29  THR A CB  1 
ATOM   248  O  OG1 . THR A 1 29  ? 31.784 3.576   44.741 1.00 12.68 ? 29  THR A OG1 1 
ATOM   249  C  CG2 . THR A 1 29  ? 29.426 3.635   45.267 1.00 12.35 ? 29  THR A CG2 1 
ATOM   250  N  N   . TYR A 1 30  ? 28.499 2.232   41.972 1.00 9.71  ? 30  TYR A N   1 
ATOM   251  C  CA  . TYR A 1 30  ? 27.125 1.950   41.484 1.00 11.03 ? 30  TYR A CA  1 
ATOM   252  C  C   . TYR A 1 30  ? 26.984 0.491   41.027 1.00 10.04 ? 30  TYR A C   1 
ATOM   253  O  O   . TYR A 1 30  ? 25.915 -0.049  41.130 1.00 11.26 ? 30  TYR A O   1 
ATOM   254  C  CB  . TYR A 1 30  ? 26.739 2.976   40.412 1.00 8.97  ? 30  TYR A CB  1 
ATOM   255  C  CG  . TYR A 1 30  ? 26.408 4.322   40.997 1.00 10.14 ? 30  TYR A CG  1 
ATOM   256  C  CD1 . TYR A 1 30  ? 25.542 4.433   42.070 1.00 13.19 ? 30  TYR A CD1 1 
ATOM   257  C  CD2 . TYR A 1 30  ? 26.984 5.478   40.510 1.00 10.03 ? 30  TYR A CD2 1 
ATOM   258  C  CE1 . TYR A 1 30  ? 25.244 5.660   42.635 1.00 12.27 ? 30  TYR A CE1 1 
ATOM   259  C  CE2 . TYR A 1 30  ? 26.695 6.714   41.060 1.00 11.51 ? 30  TYR A CE2 1 
ATOM   260  C  CZ  . TYR A 1 30  ? 25.824 6.805   42.125 1.00 12.16 ? 30  TYR A CZ  1 
ATOM   261  O  OH  . TYR A 1 30  ? 25.543 8.018   42.669 1.00 12.64 ? 30  TYR A OH  1 
ATOM   262  N  N   . LEU A 1 31  ? 28.050 -0.062  40.463 1.00 8.85  ? 31  LEU A N   1 
ATOM   263  C  CA  . LEU A 1 31  ? 28.002 -1.505  40.107 1.00 8.87  ? 31  LEU A CA  1 
ATOM   264  C  C   . LEU A 1 31  ? 27.761 -2.320  41.383 1.00 10.35 ? 31  LEU A C   1 
ATOM   265  O  O   . LEU A 1 31  ? 26.977 -3.258  41.349 1.00 10.35 ? 31  LEU A O   1 
ATOM   266  C  CB  . LEU A 1 31  ? 29.338 -1.873  39.461 1.00 11.56 ? 31  LEU A CB  1 
ATOM   267  C  CG  . LEU A 1 31  ? 29.461 -3.321  38.996 1.00 11.67 ? 31  LEU A CG  1 
ATOM   268  C  CD1 . LEU A 1 31  ? 28.566 -3.561  37.793 1.00 11.71 ? 31  LEU A CD1 1 
ATOM   269  C  CD2 . LEU A 1 31  ? 30.907 -3.662  38.668 1.00 11.93 ? 31  LEU A CD2 1 
ATOM   270  N  N   . SER A 1 32  ? 28.499 -1.985  42.433 1.00 10.35 ? 32  SER A N   1 
ATOM   271  C  CA  . SER A 1 32  ? 28.338 -2.716  43.714 1.00 8.93  ? 32  SER A CA  1 
ATOM   272  C  C   . SER A 1 32  ? 26.928 -2.525  44.298 1.00 11.25 ? 32  SER A C   1 
ATOM   273  O  O   . SER A 1 32  ? 26.348 -3.484  44.761 1.00 11.80 ? 32  SER A O   1 
ATOM   274  C  CB  . SER A 1 32  ? 29.398 -2.294  44.719 1.00 9.76  ? 32  SER A CB  1 
ATOM   275  O  OG  . SER A 1 32  ? 29.170 -2.890  45.978 1.00 10.99 ? 32  SER A OG  1 
ATOM   276  N  N   . LEU A 1 33  ? 26.432 -1.294  44.261 1.00 10.19 ? 33  LEU A N   1 
ATOM   277  C  CA  . LEU A 1 33  ? 25.082 -1.032  44.805 1.00 10.84 ? 33  LEU A CA  1 
ATOM   278  C  C   . LEU A 1 33  ? 24.056 -1.845  44.008 1.00 10.30 ? 33  LEU A C   1 
ATOM   279  O  O   . LEU A 1 33  ? 23.173 -2.429  44.589 1.00 10.47 ? 33  LEU A O   1 
ATOM   280  C  CB  . LEU A 1 33  ? 24.797 0.466   44.663 1.00 10.45 ? 33  LEU A CB  1 
ATOM   281  C  CG  . LEU A 1 33  ? 25.281 1.336   45.818 1.00 10.83 ? 33  LEU A CG  1 
ATOM   282  C  CD1 . LEU A 1 33  ? 25.472 2.781   45.369 1.00 10.52 ? 33  LEU A CD1 1 
ATOM   283  C  CD2 . LEU A 1 33  ? 24.294 1.267   46.967 1.00 11.71 ? 33  LEU A CD2 1 
ATOM   284  N  N   . GLY A 1 34  ? 24.215 -1.836  42.696 1.00 9.70  ? 34  GLY A N   1 
ATOM   285  C  CA  . GLY A 1 34  ? 23.232 -2.553  41.864 1.00 9.25  ? 34  GLY A CA  1 
ATOM   286  C  C   . GLY A 1 34  ? 23.194 -4.048  42.184 1.00 10.63 ? 34  GLY A C   1 
ATOM   287  O  O   . GLY A 1 34  ? 22.137 -4.601  42.319 1.00 12.07 ? 34  GLY A O   1 
ATOM   288  N  N   . PHE A 1 35  ? 24.365 -4.646  42.298 1.00 10.71 ? 35  PHE A N   1 
ATOM   289  C  CA  . PHE A 1 35  ? 24.381 -6.113  42.506 1.00 11.21 ? 35  PHE A CA  1 
ATOM   290  C  C   . PHE A 1 35  ? 23.956 -6.447  43.936 1.00 12.59 ? 35  PHE A C   1 
ATOM   291  O  O   . PHE A 1 35  ? 23.473 -7.535  44.139 1.00 12.47 ? 35  PHE A O   1 
ATOM   292  C  CB  . PHE A 1 35  ? 25.727 -6.699  42.070 1.00 10.21 ? 35  PHE A CB  1 
ATOM   293  C  CG  . PHE A 1 35  ? 25.741 -7.002  40.600 1.00 8.97  ? 35  PHE A CG  1 
ATOM   294  C  CD1 . PHE A 1 35  ? 25.045 -8.090  40.107 1.00 12.15 ? 35  PHE A CD1 1 
ATOM   295  C  CD2 . PHE A 1 35  ? 26.387 -6.164  39.712 1.00 12.06 ? 35  PHE A CD2 1 
ATOM   296  C  CE1 . PHE A 1 35  ? 25.024 -8.350  38.748 1.00 13.06 ? 35  PHE A CE1 1 
ATOM   297  C  CE2 . PHE A 1 35  ? 26.363 -6.425  38.354 1.00 15.83 ? 35  PHE A CE2 1 
ATOM   298  C  CZ  . PHE A 1 35  ? 25.679 -7.515  37.875 1.00 14.63 ? 35  PHE A CZ  1 
ATOM   299  N  N   . TYR A 1 36  ? 24.167 -5.510  44.861 1.00 10.67 ? 36  TYR A N   1 
ATOM   300  C  CA  . TYR A 1 36  ? 23.671 -5.757  46.232 1.00 8.98  ? 36  TYR A CA  1 
ATOM   301  C  C   . TYR A 1 36  ? 22.139 -5.867  46.199 1.00 9.77  ? 36  TYR A C   1 
ATOM   302  O  O   . TYR A 1 36  ? 21.580 -6.729  46.858 1.00 10.48 ? 36  TYR A O   1 
ATOM   303  C  CB  . TYR A 1 36  ? 24.147 -4.626  47.149 1.00 9.99  ? 36  TYR A CB  1 
ATOM   304  C  CG  . TYR A 1 36  ? 23.454 -4.564  48.484 1.00 10.56 ? 36  TYR A CG  1 
ATOM   305  C  CD1 . TYR A 1 36  ? 23.810 -5.420  49.509 1.00 11.48 ? 36  TYR A CD1 1 
ATOM   306  C  CD2 . TYR A 1 36  ? 22.427 -3.666  48.709 1.00 11.72 ? 36  TYR A CD2 1 
ATOM   307  C  CE1 . TYR A 1 36  ? 23.171 -5.378  50.733 1.00 11.01 ? 36  TYR A CE1 1 
ATOM   308  C  CE2 . TYR A 1 36  ? 21.777 -3.610  49.927 1.00 10.26 ? 36  TYR A CE2 1 
ATOM   309  C  CZ  . TYR A 1 36  ? 22.153 -4.468  50.943 1.00 11.64 ? 36  TYR A CZ  1 
ATOM   310  O  OH  . TYR A 1 36  ? 21.515 -4.425  52.144 1.00 12.42 ? 36  TYR A OH  1 
ATOM   311  N  N   . PHE A 1 37  ? 21.507 -4.986  45.429 1.00 10.30 ? 37  PHE A N   1 
ATOM   312  C  CA  . PHE A 1 37  ? 20.020 -4.961  45.418 1.00 9.20  ? 37  PHE A CA  1 
ATOM   313  C  C   . PHE A 1 37  ? 19.485 -6.122  44.573 1.00 11.77 ? 37  PHE A C   1 
ATOM   314  O  O   . PHE A 1 37  ? 18.296 -6.373  44.629 1.00 11.98 ? 37  PHE A O   1 
ATOM   315  C  CB  . PHE A 1 37  ? 19.510 -3.562  45.028 1.00 11.03 ? 37  PHE A CB  1 
ATOM   316  C  CG  . PHE A 1 37  ? 19.572 -2.589  46.177 1.00 9.78  ? 37  PHE A CG  1 
ATOM   317  C  CD1 . PHE A 1 37  ? 18.605 -2.597  47.168 1.00 10.94 ? 37  PHE A CD1 1 
ATOM   318  C  CD2 . PHE A 1 37  ? 20.613 -1.686  46.286 1.00 10.35 ? 37  PHE A CD2 1 
ATOM   319  C  CE1 . PHE A 1 37  ? 18.674 -1.720  48.235 1.00 11.15 ? 37  PHE A CE1 1 
ATOM   320  C  CE2 . PHE A 1 37  ? 20.681 -0.809  47.354 1.00 10.70 ? 37  PHE A CE2 1 
ATOM   321  C  CZ  . PHE A 1 37  ? 19.713 -0.827  48.327 1.00 10.70 ? 37  PHE A CZ  1 
ATOM   322  N  N   . ASP A 1 38  ? 20.363 -6.802  43.852 1.00 9.63  ? 38  ASP A N   1 
ATOM   323  C  CA  . ASP A 1 38  ? 19.993 -7.991  43.050 1.00 11.73 ? 38  ASP A CA  1 
ATOM   324  C  C   . ASP A 1 38  ? 20.132 -9.277  43.891 1.00 11.98 ? 38  ASP A C   1 
ATOM   325  O  O   . ASP A 1 38  ? 19.717 -10.325 43.442 1.00 12.60 ? 38  ASP A O   1 
ATOM   326  C  CB  . ASP A 1 38  ? 20.885 -8.036  41.816 1.00 10.18 ? 38  ASP A CB  1 
ATOM   327  C  CG  . ASP A 1 38  ? 20.621 -9.210  40.891 1.00 13.43 ? 38  ASP A CG  1 
ATOM   328  O  OD1 . ASP A 1 38  ? 19.534 -9.256  40.311 1.00 15.36 ? 38  ASP A OD1 1 
ATOM   329  O  OD2 . ASP A 1 38  ? 21.518 -10.044 40.743 1.00 13.65 ? 38  ASP A OD2 1 
ATOM   330  N  N   . ARG A 1 39  ? 20.737 -9.156  45.064 1.00 10.33 ? 39  ARG A N   1 
ATOM   331  C  CA  . ARG A 1 39  ? 20.828 -10.343 45.957 1.00 10.10 ? 39  ARG A CA  1 
ATOM   332  C  C   . ARG A 1 39  ? 19.425 -10.939 46.261 1.00 10.44 ? 39  ARG A C   1 
ATOM   333  O  O   . ARG A 1 39  ? 18.377 -10.271 46.498 1.00 11.40 ? 39  ARG A O   1 
ATOM   334  C  CB  . ARG A 1 39  ? 21.495 -9.973  47.283 1.00 10.60 ? 39  ARG A CB  1 
ATOM   335  C  CG  . ARG A 1 39  ? 22.992 -9.733  47.176 1.00 12.23 ? 39  ARG A CG  1 
ATOM   336  C  CD  . ARG A 1 39  ? 23.566 -9.119  48.437 1.00 12.10 ? 39  ARG A CD  1 
ATOM   337  N  NE  . ARG A 1 39  ? 23.086 -9.737  49.662 1.00 14.27 ? 39  ARG A NE  1 
ATOM   338  C  CZ  . ARG A 1 39  ? 23.646 -9.563  50.854 1.00 15.32 ? 39  ARG A CZ  1 
ATOM   339  N  NH1 . ARG A 1 39  ? 24.718 -8.798  50.977 1.00 17.83 ? 39  ARG A NH1 1 
ATOM   340  N  NH2 . ARG A 1 39  ? 23.140 -10.157 51.918 1.00 17.28 ? 39  ARG A NH2 1 
ATOM   341  N  N   . ASP A 1 40  ? 19.431 -12.264 46.386 1.00 10.80 ? 40  ASP A N   1 
ATOM   342  C  CA  . ASP A 1 40  ? 18.143 -12.958 46.655 1.00 11.15 ? 40  ASP A CA  1 
ATOM   343  C  C   . ASP A 1 40  ? 17.570 -12.532 48.015 1.00 9.91  ? 40  ASP A C   1 
ATOM   344  O  O   . ASP A 1 40  ? 16.372 -12.592 48.188 1.00 11.79 ? 40  ASP A O   1 
ATOM   345  C  CB  . ASP A 1 40  ? 18.283 -14.478 46.591 1.00 11.08 ? 40  ASP A CB  1 
ATOM   346  C  CG  . ASP A 1 40  ? 19.024 -15.088 47.762 1.00 14.08 ? 40  ASP A CG  1 
ATOM   347  O  OD1 . ASP A 1 40  ? 20.252 -15.184 47.677 1.00 14.51 ? 40  ASP A OD1 1 
ATOM   348  O  OD2 . ASP A 1 40  ? 18.360 -15.475 48.729 1.00 13.28 ? 40  ASP A OD2 1 
ATOM   349  N  N   . ASP A 1 41  ? 18.434 -12.090 48.921 1.00 10.73 ? 41  ASP A N   1 
ATOM   350  C  CA  . ASP A 1 41  ? 17.986 -11.671 50.275 1.00 12.38 ? 41  ASP A CA  1 
ATOM   351  C  C   . ASP A 1 41  ? 17.802 -10.146 50.363 1.00 10.47 ? 41  ASP A C   1 
ATOM   352  O  O   . ASP A 1 41  ? 17.632 -9.649  51.475 1.00 12.09 ? 41  ASP A O   1 
ATOM   353  C  CB  . ASP A 1 41  ? 18.918 -12.194 51.363 1.00 10.39 ? 41  ASP A CB  1 
ATOM   354  C  CG  . ASP A 1 41  ? 20.357 -11.741 51.220 1.00 14.81 ? 41  ASP A CG  1 
ATOM   355  O  OD1 . ASP A 1 41  ? 20.644 -11.016 50.264 1.00 13.92 ? 41  ASP A OD1 1 
ATOM   356  O  OD2 . ASP A 1 41  ? 21.167 -12.126 52.070 1.00 15.50 ? 41  ASP A OD2 1 
ATOM   357  N  N   . VAL A 1 42  ? 17.824 -9.468  49.225 1.00 10.41 ? 42  VAL A N   1 
ATOM   358  C  CA  . VAL A 1 42  ? 17.534 -8.003  49.185 1.00 10.36 ? 42  VAL A CA  1 
ATOM   359  C  C   . VAL A 1 42  ? 16.390 -7.893  48.176 1.00 12.05 ? 42  VAL A C   1 
ATOM   360  O  O   . VAL A 1 42  ? 15.313 -7.474  48.575 1.00 12.19 ? 42  VAL A O   1 
ATOM   361  C  CB  . VAL A 1 42  ? 18.786 -7.204  48.780 1.00 11.87 ? 42  VAL A CB  1 
ATOM   362  C  CG1 . VAL A 1 42  ? 18.463 -5.726  48.631 1.00 11.66 ? 42  VAL A CG1 1 
ATOM   363  C  CG2 . VAL A 1 42  ? 19.906 -7.395  49.790 1.00 12.49 ? 42  VAL A CG2 1 
ATOM   364  N  N   . ALA A 1 43  ? 16.648 -8.267  46.936 1.00 11.04 ? 43  ALA A N   1 
ATOM   365  C  CA  . ALA A 1 43  ? 15.576 -8.441  45.929 1.00 9.15  ? 43  ALA A CA  1 
ATOM   366  C  C   . ALA A 1 43  ? 14.700 -7.210  45.695 1.00 10.39 ? 43  ALA A C   1 
ATOM   367  O  O   . ALA A 1 43  ? 13.496 -7.323  45.792 1.00 12.11 ? 43  ALA A O   1 
ATOM   368  C  CB  . ALA A 1 43  ? 14.752 -9.653  46.313 1.00 13.14 ? 43  ALA A CB  1 
ATOM   369  N  N   . LEU A 1 44  ? 15.344 -6.127  45.311 1.00 10.66 ? 44  LEU A N   1 
ATOM   370  C  CA  . LEU A 1 44  ? 14.607 -4.894  44.964 1.00 9.74  ? 44  LEU A CA  1 
ATOM   371  C  C   . LEU A 1 44  ? 15.054 -4.483  43.555 1.00 11.03 ? 44  LEU A C   1 
ATOM   372  O  O   . LEU A 1 44  ? 15.982 -3.721  43.411 1.00 10.54 ? 44  LEU A O   1 
ATOM   373  C  CB  . LEU A 1 44  ? 14.861 -3.819  46.026 1.00 9.62  ? 44  LEU A CB  1 
ATOM   374  C  CG  . LEU A 1 44  ? 14.238 -4.121  47.387 1.00 11.75 ? 44  LEU A CG  1 
ATOM   375  C  CD1 . LEU A 1 44  ? 14.882 -3.282  48.476 1.00 11.68 ? 44  LEU A CD1 1 
ATOM   376  C  CD2 . LEU A 1 44  ? 12.735 -3.896  47.361 1.00 12.04 ? 44  LEU A CD2 1 
ATOM   377  N  N   . GLU A 1 45  ? 14.384 -5.059  42.562 1.00 11.43 ? 45  GLU A N   1 
ATOM   378  C  CA  . GLU A 1 45  ? 14.801 -4.908  41.145 1.00 11.66 ? 45  GLU A CA  1 
ATOM   379  C  C   . GLU A 1 45  ? 14.885 -3.447  40.697 1.00 11.54 ? 45  GLU A C   1 
ATOM   380  O  O   . GLU A 1 45  ? 15.780 -3.089  39.966 1.00 10.68 ? 45  GLU A O   1 
ATOM   381  C  CB  . GLU A 1 45  ? 13.838 -5.723  40.271 1.00 13.47 ? 45  GLU A CB  1 
ATOM   382  C  CG  . GLU A 1 45  ? 14.155 -5.692  38.790 1.00 21.88 ? 45  GLU A CG  1 
ATOM   383  C  CD  . GLU A 1 45  ? 13.083 -6.355  37.943 1.00 42.31 ? 45  GLU A CD  1 
ATOM   384  O  OE1 . GLU A 1 45  ? 12.748 -7.521  38.222 1.00 38.32 ? 45  GLU A OE1 1 
ATOM   385  O  OE2 . GLU A 1 45  ? 12.572 -5.699  37.030 1.00 43.68 ? 45  GLU A OE2 1 
ATOM   386  N  N   . GLY A 1 46  ? 13.895 -2.688  41.104 1.00 10.03 ? 46  GLY A N   1 
ATOM   387  C  CA  . GLY A 1 46  ? 13.886 -1.273  40.688 1.00 11.79 ? 46  GLY A CA  1 
ATOM   388  C  C   . GLY A 1 46  ? 15.087 -0.512  41.227 1.00 11.06 ? 46  GLY A C   1 
ATOM   389  O  O   . GLY A 1 46  ? 15.557 0.403   40.576 1.00 12.09 ? 46  GLY A O   1 
ATOM   390  N  N   . VAL A 1 47  ? 15.538 -0.905  42.396 1.00 10.79 ? 47  VAL A N   1 
ATOM   391  C  CA  . VAL A 1 47  ? 16.732 -0.236  42.982 1.00 8.67  ? 47  VAL A CA  1 
ATOM   392  C  C   . VAL A 1 47  ? 17.980 -0.734  42.252 1.00 13.04 ? 47  VAL A C   1 
ATOM   393  O  O   . VAL A 1 47  ? 18.859 0.055   41.953 1.00 11.86 ? 47  VAL A O   1 
ATOM   394  C  CB  . VAL A 1 47  ? 16.813 -0.503  44.497 1.00 10.20 ? 47  VAL A CB  1 
ATOM   395  C  CG1 . VAL A 1 47  ? 17.923 0.320   45.133 1.00 10.63 ? 47  VAL A CG1 1 
ATOM   396  C  CG2 . VAL A 1 47  ? 15.492 -0.219  45.195 1.00 12.12 ? 47  VAL A CG2 1 
ATOM   397  N  N   . CYS A 1 48  ? 18.028 -2.034  42.005 1.00 11.04 ? 48  CYS A N   1 
ATOM   398  C  CA  . CYS A 1 48  ? 19.146 -2.598  41.227 1.00 10.39 ? 48  CYS A CA  1 
ATOM   399  C  C   . CYS A 1 48  ? 19.245 -1.862  39.888 1.00 11.45 ? 48  CYS A C   1 
ATOM   400  O  O   . CYS A 1 48  ? 20.331 -1.487  39.507 1.00 11.24 ? 48  CYS A O   1 
ATOM   401  C  CB  . CYS A 1 48  ? 18.825 -4.077  41.078 1.00 10.93 ? 48  CYS A CB  1 
ATOM   402  S  SG  . CYS A 1 48  ? 19.819 -4.912  39.811 1.00 13.82 ? 48  CYS A SG  1 
ATOM   403  N  N   . HIS A 1 49  ? 18.109 -1.702  39.220 1.00 11.34 ? 49  HIS A N   1 
ATOM   404  C  CA  . HIS A 1 49  ? 18.155 -1.092  37.870 1.00 11.57 ? 49  HIS A CA  1 
ATOM   405  C  C   . HIS A 1 49  ? 18.585 0.374   37.957 1.00 11.52 ? 49  HIS A C   1 
ATOM   406  O  O   . HIS A 1 49  ? 19.313 0.830   37.101 1.00 12.66 ? 49  HIS A O   1 
ATOM   407  C  CB  . HIS A 1 49  ? 16.804 -1.236  37.169 1.00 15.13 ? 49  HIS A CB  1 
ATOM   408  C  CG  . HIS A 1 49  ? 16.538 -2.637  36.741 1.00 23.27 ? 49  HIS A CG  1 
ATOM   409  N  ND1 . HIS A 1 49  ? 15.422 -2.991  36.016 1.00 35.18 ? 49  HIS A ND1 1 
ATOM   410  C  CD2 . HIS A 1 49  ? 17.238 -3.773  36.941 1.00 26.58 ? 49  HIS A CD2 1 
ATOM   411  C  CE1 . HIS A 1 49  ? 15.449 -4.286  35.781 1.00 27.44 ? 49  HIS A CE1 1 
ATOM   412  N  NE2 . HIS A 1 49  ? 16.548 -4.788  36.342 1.00 29.46 ? 49  HIS A NE2 1 
ATOM   413  N  N   . PHE A 1 50  ? 18.108 1.053   38.984 1.00 12.00 ? 50  PHE A N   1 
ATOM   414  C  CA  . PHE A 1 50  ? 18.498 2.471   39.160 1.00 11.36 ? 50  PHE A CA  1 
ATOM   415  C  C   . PHE A 1 50  ? 20.031 2.596   39.264 1.00 9.83  ? 50  PHE A C   1 
ATOM   416  O  O   . PHE A 1 50  ? 20.609 3.408   38.581 1.00 11.26 ? 50  PHE A O   1 
ATOM   417  C  CB  . PHE A 1 50  ? 17.798 3.006   40.408 1.00 11.67 ? 50  PHE A CB  1 
ATOM   418  C  CG  . PHE A 1 50  ? 18.118 4.435   40.763 1.00 11.11 ? 50  PHE A CG  1 
ATOM   419  C  CD1 . PHE A 1 50  ? 17.537 5.486   40.075 1.00 15.19 ? 50  PHE A CD1 1 
ATOM   420  C  CD2 . PHE A 1 50  ? 18.991 4.725   41.795 1.00 12.30 ? 50  PHE A CD2 1 
ATOM   421  C  CE1 . PHE A 1 50  ? 17.831 6.799   40.406 1.00 15.51 ? 50  PHE A CE1 1 
ATOM   422  C  CE2 . PHE A 1 50  ? 19.283 6.037   42.126 1.00 14.63 ? 50  PHE A CE2 1 
ATOM   423  C  CZ  . PHE A 1 50  ? 18.702 7.070   41.433 1.00 14.32 ? 50  PHE A CZ  1 
ATOM   424  N  N   . PHE A 1 51  ? 20.625 1.806   40.148 1.00 11.67 ? 51  PHE A N   1 
ATOM   425  C  CA  . PHE A 1 51  ? 22.086 1.948   40.368 1.00 10.29 ? 51  PHE A CA  1 
ATOM   426  C  C   . PHE A 1 51  ? 22.899 1.388   39.188 1.00 12.75 ? 51  PHE A C   1 
ATOM   427  O  O   . PHE A 1 51  ? 23.932 1.933   38.871 1.00 12.72 ? 51  PHE A O   1 
ATOM   428  C  CB  . PHE A 1 51  ? 22.451 1.326   41.722 1.00 9.38  ? 51  PHE A CB  1 
ATOM   429  C  CG  . PHE A 1 51  ? 21.975 2.135   42.900 1.00 9.93  ? 51  PHE A CG  1 
ATOM   430  C  CD1 . PHE A 1 51  ? 22.235 3.490   42.975 1.00 14.04 ? 51  PHE A CD1 1 
ATOM   431  C  CD2 . PHE A 1 51  ? 21.258 1.547   43.926 1.00 10.11 ? 51  PHE A CD2 1 
ATOM   432  C  CE1 . PHE A 1 51  ? 21.793 4.239   44.050 1.00 12.90 ? 51  PHE A CE1 1 
ATOM   433  C  CE2 . PHE A 1 51  ? 20.815 2.298   45.000 1.00 10.58 ? 51  PHE A CE2 1 
ATOM   434  C  CZ  . PHE A 1 51  ? 21.081 3.643   45.060 1.00 13.09 ? 51  PHE A CZ  1 
ATOM   435  N  N   . ARG A 1 52  ? 22.404 0.300   38.604 1.00 11.60 ? 52  ARG A N   1 
ATOM   436  C  CA  A ARG A 1 52  ? 23.087 -0.244  37.393 0.49 12.40 ? 52  ARG A CA  1 
ATOM   437  C  CA  B ARG A 1 52  ? 23.087 -0.245  37.397 0.51 12.40 ? 52  ARG A CA  1 
ATOM   438  C  C   . ARG A 1 52  ? 23.193 0.795   36.242 1.00 14.76 ? 52  ARG A C   1 
ATOM   439  O  O   . ARG A 1 52  ? 24.211 1.017   35.539 1.00 15.80 ? 52  ARG A O   1 
ATOM   440  C  CB  A ARG A 1 52  ? 22.355 -1.497  36.899 0.49 17.88 ? 52  ARG A CB  1 
ATOM   441  C  CB  B ARG A 1 52  ? 22.360 -1.511  36.931 0.51 17.88 ? 52  ARG A CB  1 
ATOM   442  C  CG  A ARG A 1 52  ? 22.809 -2.782  37.575 0.49 17.33 ? 52  ARG A CG  1 
ATOM   443  C  CG  B ARG A 1 52  ? 22.560 -1.837  35.461 0.51 24.37 ? 52  ARG A CG  1 
ATOM   444  C  CD  A ARG A 1 52  ? 22.320 -3.998  36.812 0.49 20.97 ? 52  ARG A CD  1 
ATOM   445  C  CD  B ARG A 1 52  ? 21.895 -3.152  35.116 0.51 23.64 ? 52  ARG A CD  1 
ATOM   446  N  NE  A ARG A 1 52  ? 22.496 -5.242  37.544 0.49 33.48 ? 52  ARG A NE  1 
ATOM   447  N  NE  B ARG A 1 52  ? 20.559 -2.959  34.578 0.51 25.36 ? 52  ARG A NE  1 
ATOM   448  C  CZ  A ARG A 1 52  ? 21.765 -6.333  37.350 0.49 19.74 ? 52  ARG A CZ  1 
ATOM   449  C  CZ  B ARG A 1 52  ? 19.619 -3.891  34.570 0.51 25.03 ? 52  ARG A CZ  1 
ATOM   450  N  NH1 A ARG A 1 52  ? 20.806 -6.333  36.442 0.49 24.71 ? 52  ARG A NH1 1 
ATOM   451  N  NH1 B ARG A 1 52  ? 19.871 -5.081  35.081 0.51 27.74 ? 52  ARG A NH1 1 
ATOM   452  N  NH2 A ARG A 1 52  ? 21.989 -7.418  38.066 0.49 26.86 ? 52  ARG A NH2 1 
ATOM   453  N  NH2 B ARG A 1 52  ? 18.432 -3.629  34.052 0.51 31.83 ? 52  ARG A NH2 1 
ATOM   454  N  N   . PHE A 1 53  ? 22.075 1.516   36.090 1.00 14.75 ? 53  PHE A N   1 
ATOM   455  C  CA  . PHE A 1 53  ? 22.060 2.584   35.056 1.00 13.16 ? 53  PHE A CA  1 
ATOM   456  C  C   . PHE A 1 53  ? 23.071 3.684   35.396 1.00 16.45 ? 53  PHE A C   1 
ATOM   457  O  O   . PHE A 1 53  ? 23.780 4.129   34.512 1.00 14.53 ? 53  PHE A O   1 
ATOM   458  C  CB  . PHE A 1 53  ? 20.677 3.207   34.892 1.00 14.64 ? 53  PHE A CB  1 
ATOM   459  C  CG  . PHE A 1 53  ? 20.733 4.520   34.157 1.00 24.21 ? 53  PHE A CG  1 
ATOM   460  C  CD1 . PHE A 1 53  ? 20.880 4.550   32.782 1.00 40.00 ? 53  PHE A CD1 1 
ATOM   461  C  CD2 . PHE A 1 53  ? 20.713 5.722   34.843 1.00 26.05 ? 53  PHE A CD2 1 
ATOM   462  C  CE1 . PHE A 1 53  ? 20.969 5.755   32.105 1.00 31.68 ? 53  PHE A CE1 1 
ATOM   463  C  CE2 . PHE A 1 53  ? 20.809 6.926   34.166 1.00 34.85 ? 53  PHE A CE2 1 
ATOM   464  C  CZ  . PHE A 1 53  ? 20.934 6.940   32.799 1.00 34.08 ? 53  PHE A CZ  1 
ATOM   465  N  N   . LEU A 1 54  ? 23.120 4.045   36.675 1.00 13.91 ? 54  LEU A N   1 
ATOM   466  C  CA  . LEU A 1 54  ? 24.103 5.078   37.085 1.00 11.82 ? 54  LEU A CA  1 
ATOM   467  C  C   . LEU A 1 54  ? 25.545 4.569   36.894 1.00 12.88 ? 54  LEU A C   1 
ATOM   468  O  O   . LEU A 1 54  ? 26.411 5.363   36.587 1.00 12.76 ? 54  LEU A O   1 
ATOM   469  C  CB  . LEU A 1 54  ? 23.837 5.489   38.536 1.00 10.45 ? 54  LEU A CB  1 
ATOM   470  C  CG  . LEU A 1 54  ? 22.568 6.304   38.740 1.00 13.39 ? 54  LEU A CG  1 
ATOM   471  C  CD1 . LEU A 1 54  ? 22.384 6.652   40.205 1.00 17.26 ? 54  LEU A CD1 1 
ATOM   472  C  CD2 . LEU A 1 54  ? 22.605 7.557   37.885 1.00 19.61 ? 54  LEU A CD2 1 
ATOM   473  N  N   . ALA A 1 55  ? 25.764 3.274   37.064 1.00 13.79 ? 55  ALA A N   1 
ATOM   474  C  CA  . ALA A 1 55  ? 27.128 2.757   36.811 1.00 11.23 ? 55  ALA A CA  1 
ATOM   475  C  C   . ALA A 1 55  ? 27.500 3.009   35.341 1.00 12.19 ? 55  ALA A C   1 
ATOM   476  O  O   . ALA A 1 55  ? 28.586 3.458   35.062 1.00 11.82 ? 55  ALA A O   1 
ATOM   477  C  CB  . ALA A 1 55  ? 27.190 1.283   37.138 1.00 14.01 ? 55  ALA A CB  1 
ATOM   478  N  N   . PHE A 1 56  ? 26.570 2.668   34.469 1.00 11.50 ? 56  PHE A N   1 
ATOM   479  C  CA  A PHE A 1 56  ? 26.843 2.959   33.029 0.50 12.79 ? 56  PHE A CA  1 
ATOM   480  C  CA  B PHE A 1 56  ? 26.832 2.957   33.032 0.50 12.79 ? 56  PHE A CA  1 
ATOM   481  C  C   . PHE A 1 56  ? 27.027 4.501   32.679 1.00 14.66 ? 56  PHE A C   1 
ATOM   482  O  O   . PHE A 1 56  ? 27.905 5.061   31.931 1.00 14.72 ? 56  PHE A O   1 
ATOM   483  C  CB  A PHE A 1 56  ? 25.679 2.403   32.210 0.50 15.91 ? 56  PHE A CB  1 
ATOM   484  C  CB  B PHE A 1 56  ? 25.656 2.397   32.227 0.50 15.91 ? 56  PHE A CB  1 
ATOM   485  C  CG  A PHE A 1 56  ? 25.591 3.033   30.844 0.50 33.15 ? 56  PHE A CG  1 
ATOM   486  C  CG  B PHE A 1 56  ? 25.356 0.916   32.414 0.50 33.15 ? 56  PHE A CG  1 
ATOM   487  C  CD1 A PHE A 1 56  ? 26.379 2.574   29.803 0.50 44.85 ? 56  PHE A CD1 1 
ATOM   488  C  CD1 B PHE A 1 56  ? 26.323 0.036   32.889 0.50 44.85 ? 56  PHE A CD1 1 
ATOM   489  C  CD2 A PHE A 1 56  ? 24.758 4.114   30.613 0.50 36.70 ? 56  PHE A CD2 1 
ATOM   490  C  CD2 B PHE A 1 56  ? 24.102 0.403   32.106 0.50 36.70 ? 56  PHE A CD2 1 
ATOM   491  C  CE1 A PHE A 1 56  ? 26.323 3.173   28.555 0.50 40.38 ? 56  PHE A CE1 1 
ATOM   492  C  CE1 B PHE A 1 56  ? 26.038 -1.308  33.061 0.50 40.38 ? 56  PHE A CE1 1 
ATOM   493  C  CE2 A PHE A 1 56  ? 24.702 4.712   29.365 0.50 43.55 ? 56  PHE A CE2 1 
ATOM   494  C  CE2 B PHE A 1 56  ? 23.827 -0.945  32.266 0.50 43.55 ? 56  PHE A CE2 1 
ATOM   495  C  CZ  A PHE A 1 56  ? 25.483 4.239   28.340 0.50 44.45 ? 56  PHE A CZ  1 
ATOM   496  C  CZ  B PHE A 1 56  ? 24.794 -1.796  32.743 0.50 44.45 ? 56  PHE A CZ  1 
ATOM   497  N  N   . PHE A 1 57  ? 26.133 5.240   33.338 1.00 14.58 ? 57  PHE A N   1 
ATOM   498  C  CA  . PHE A 1 57  ? 26.149 6.718   33.136 1.00 14.60 ? 57  PHE A CA  1 
ATOM   499  C  C   . PHE A 1 57  ? 27.482 7.360   33.605 1.00 12.41 ? 57  PHE A C   1 
ATOM   500  O  O   . PHE A 1 57  ? 28.014 8.249   32.957 1.00 12.95 ? 57  PHE A O   1 
ATOM   501  C  CB  . PHE A 1 57  ? 24.911 7.296   33.828 1.00 16.21 ? 57  PHE A CB  1 
ATOM   502  C  CG  . PHE A 1 57  ? 24.575 8.729   33.522 1.00 27.11 ? 57  PHE A CG  1 
ATOM   503  C  CD1 . PHE A 1 57  ? 24.719 9.241   32.246 1.00 34.95 ? 57  PHE A CD1 1 
ATOM   504  C  CD2 . PHE A 1 57  ? 24.081 9.557   34.514 1.00 32.54 ? 57  PHE A CD2 1 
ATOM   505  C  CE1 . PHE A 1 57  ? 24.388 10.558  31.973 1.00 35.20 ? 57  PHE A CE1 1 
ATOM   506  C  CE2 . PHE A 1 57  ? 23.746 10.871  34.239 1.00 33.52 ? 57  PHE A CE2 1 
ATOM   507  C  CZ  . PHE A 1 57  ? 23.904 11.368  32.970 1.00 32.96 ? 57  PHE A CZ  1 
ATOM   508  N  N   . LYS A 1 58  ? 27.980 6.913   34.746 1.00 12.45 ? 58  LYS A N   1 
ATOM   509  C  CA  . LYS A 1 58  ? 29.254 7.474   35.265 1.00 9.03  ? 58  LYS A CA  1 
ATOM   510  C  C   . LYS A 1 58  ? 30.434 7.012   34.396 1.00 12.58 ? 58  LYS A C   1 
ATOM   511  O  O   . LYS A 1 58  ? 31.364 7.772   34.215 1.00 12.27 ? 58  LYS A O   1 
ATOM   512  C  CB  . LYS A 1 58  ? 29.418 7.075   36.736 1.00 10.71 ? 58  LYS A CB  1 
ATOM   513  C  CG  . LYS A 1 58  ? 28.452 7.730   37.703 1.00 10.22 ? 58  LYS A CG  1 
ATOM   514  C  CD  . LYS A 1 58  ? 28.418 9.222   37.524 1.00 12.79 ? 58  LYS A CD  1 
ATOM   515  C  CE  . LYS A 1 58  ? 27.427 9.872   38.458 1.00 17.29 ? 58  LYS A CE  1 
ATOM   516  N  NZ  . LYS A 1 58  ? 27.437 11.346  38.321 1.00 15.16 ? 58  LYS A NZ  1 
ATOM   517  N  N   . ALA A 1 59  ? 30.371 5.779   33.900 1.00 11.27 ? 59  ALA A N   1 
ATOM   518  C  CA  . ALA A 1 59  ? 31.446 5.340   32.977 1.00 10.34 ? 59  ALA A CA  1 
ATOM   519  C  C   . ALA A 1 59  ? 31.418 6.202   31.700 1.00 11.68 ? 59  ALA A C   1 
ATOM   520  O  O   . ALA A 1 59  ? 32.464 6.514   31.162 1.00 12.34 ? 59  ALA A O   1 
ATOM   521  C  CB  . ALA A 1 59  ? 31.299 3.865   32.661 1.00 12.07 ? 59  ALA A CB  1 
ATOM   522  N  N   . PHE A 1 60  ? 30.217 6.518   31.243 1.00 12.60 ? 60  PHE A N   1 
ATOM   523  C  CA  . PHE A 1 60  ? 30.077 7.364   30.034 1.00 12.99 ? 60  PHE A CA  1 
ATOM   524  C  C   . PHE A 1 60  ? 30.713 8.733   30.297 1.00 12.55 ? 60  PHE A C   1 
ATOM   525  O  O   . PHE A 1 60  ? 31.348 9.269   29.411 1.00 13.54 ? 60  PHE A O   1 
ATOM   526  C  CB  . PHE A 1 60  ? 28.593 7.438   29.658 1.00 14.18 ? 60  PHE A CB  1 
ATOM   527  C  CG  . PHE A 1 60  ? 28.253 8.464   28.614 1.00 20.81 ? 60  PHE A CG  1 
ATOM   528  C  CD1 . PHE A 1 60  ? 28.640 8.285   27.299 1.00 24.26 ? 60  PHE A CD1 1 
ATOM   529  C  CD2 . PHE A 1 60  ? 27.557 9.613   28.950 1.00 27.05 ? 60  PHE A CD2 1 
ATOM   530  C  CE1 . PHE A 1 60  ? 28.333 9.232   26.337 1.00 29.64 ? 60  PHE A CE1 1 
ATOM   531  C  CE2 . PHE A 1 60  ? 27.250 10.558  27.986 1.00 34.76 ? 60  PHE A CE2 1 
ATOM   532  C  CZ  . PHE A 1 60  ? 27.636 10.363  26.683 1.00 30.81 ? 60  PHE A CZ  1 
ATOM   533  N  N   . GLY A 1 61  ? 30.507 9.247   31.503 1.00 11.87 ? 61  GLY A N   1 
ATOM   534  C  CA  . GLY A 1 61  ? 31.111 10.532  31.878 1.00 11.31 ? 61  GLY A CA  1 
ATOM   535  C  C   . GLY A 1 61  ? 32.626 10.459  31.817 1.00 12.37 ? 61  GLY A C   1 
ATOM   536  O  O   . GLY A 1 61  ? 33.234 11.368  31.332 1.00 12.49 ? 61  GLY A O   1 
ATOM   537  N  N   . ALA A 1 62  ? 33.170 9.366   32.332 1.00 11.72 ? 62  ALA A N   1 
ATOM   538  C  CA  . ALA A 1 62  ? 34.636 9.203   32.264 1.00 10.25 ? 62  ALA A CA  1 
ATOM   539  C  C   . ALA A 1 62  ? 35.098 9.122   30.804 1.00 11.02 ? 62  ALA A C   1 
ATOM   540  O  O   . ALA A 1 62  ? 36.103 9.709   30.474 1.00 11.68 ? 62  ALA A O   1 
ATOM   541  C  CB  . ALA A 1 62  ? 35.034 7.974   33.034 1.00 12.03 ? 62  ALA A CB  1 
ATOM   542  N  N   . PHE A 1 63  ? 34.361 8.394   29.977 1.00 11.63 ? 63  PHE A N   1 
ATOM   543  C  CA  . PHE A 1 63  ? 34.721 8.292   28.546 1.00 11.00 ? 63  PHE A CA  1 
ATOM   544  C  C   . PHE A 1 63  ? 34.735 9.678   27.885 1.00 11.96 ? 63  PHE A C   1 
ATOM   545  O  O   . PHE A 1 63  ? 35.634 9.995   27.137 1.00 12.04 ? 63  PHE A O   1 
ATOM   546  C  CB  . PHE A 1 63  ? 33.723 7.342   27.877 1.00 12.84 ? 63  PHE A CB  1 
ATOM   547  C  CG  . PHE A 1 63  ? 33.973 7.032   26.428 1.00 21.99 ? 63  PHE A CG  1 
ATOM   548  C  CD1 . PHE A 1 63  ? 33.536 7.892   25.437 1.00 27.14 ? 63  PHE A CD1 1 
ATOM   549  C  CD2 . PHE A 1 63  ? 34.613 5.863   26.056 1.00 27.83 ? 63  PHE A CD2 1 
ATOM   550  C  CE1 . PHE A 1 63  ? 33.755 7.601   24.101 1.00 32.15 ? 63  PHE A CE1 1 
ATOM   551  C  CE2 . PHE A 1 63  ? 34.833 5.574   24.720 1.00 25.24 ? 63  PHE A CE2 1 
ATOM   552  C  CZ  . PHE A 1 63  ? 34.404 6.445   23.747 1.00 28.56 ? 63  PHE A CZ  1 
ATOM   553  N  N   . ARG A 1 64  ? 33.732 10.489  28.210 1.00 11.85 ? 64  ARG A N   1 
ATOM   554  C  CA  . ARG A 1 64  ? 33.657 11.838  27.595 1.00 11.32 ? 64  ARG A CA  1 
ATOM   555  C  C   . ARG A 1 64  ? 34.848 12.697  28.047 1.00 11.01 ? 64  ARG A C   1 
ATOM   556  O  O   . ARG A 1 64  ? 35.378 13.452  27.256 1.00 12.23 ? 64  ARG A O   1 
ATOM   557  C  CB  . ARG A 1 64  ? 32.342 12.542  27.950 1.00 11.90 ? 64  ARG A CB  1 
ATOM   558  C  CG  . ARG A 1 64  ? 31.124 11.886  27.327 1.00 17.09 ? 64  ARG A CG  1 
ATOM   559  C  CD  . ARG A 1 64  ? 30.589 12.778  26.233 1.00 30.29 ? 64  ARG A CD  1 
ATOM   560  N  NE  . ARG A 1 64  ? 29.749 13.841  26.788 1.00 33.82 ? 64  ARG A NE  1 
ATOM   561  C  CZ  . ARG A 1 64  ? 28.733 14.376  26.130 1.00 35.28 ? 64  ARG A CZ  1 
ATOM   562  N  NH1 . ARG A 1 64  ? 28.927 14.905  24.938 1.00 37.89 ? 64  ARG A NH1 1 
ATOM   563  N  NH2 . ARG A 1 64  ? 27.530 14.383  26.666 1.00 35.65 ? 64  ARG A NH2 1 
ATOM   564  N  N   . LEU A 1 65  ? 35.202 12.577  29.309 1.00 11.21 ? 65  LEU A N   1 
ATOM   565  C  CA  . LEU A 1 65  ? 36.358 13.337  29.841 1.00 10.68 ? 65  LEU A CA  1 
ATOM   566  C  C   . LEU A 1 65  ? 37.647 12.887  29.151 1.00 9.26  ? 65  LEU A C   1 
ATOM   567  O  O   . LEU A 1 65  ? 38.493 13.725  28.879 1.00 10.53 ? 65  LEU A O   1 
ATOM   568  C  CB  . LEU A 1 65  ? 36.460 13.096  31.352 1.00 10.45 ? 65  LEU A CB  1 
ATOM   569  C  CG  . LEU A 1 65  ? 35.473 13.894  32.197 1.00 12.81 ? 65  LEU A CG  1 
ATOM   570  C  CD1 . LEU A 1 65  ? 35.294 13.253  33.563 1.00 12.51 ? 65  LEU A CD1 1 
ATOM   571  C  CD2 . LEU A 1 65  ? 35.936 15.335  32.337 1.00 13.32 ? 65  LEU A CD2 1 
ATOM   572  N  N   . LEU A 1 66  ? 37.771 11.574  28.961 1.00 11.14 ? 66  LEU A N   1 
ATOM   573  C  CA  . LEU A 1 66  ? 38.994 11.044  28.315 1.00 9.02  ? 66  LEU A CA  1 
ATOM   574  C  C   . LEU A 1 66  ? 39.041 11.473  26.841 1.00 10.49 ? 66  LEU A C   1 
ATOM   575  O  O   . LEU A 1 66  ? 40.106 11.777  26.342 1.00 11.02 ? 66  LEU A O   1 
ATOM   576  C  CB  . LEU A 1 66  ? 38.982 9.513   28.440 1.00 10.48 ? 66  LEU A CB  1 
ATOM   577  C  CG  . LEU A 1 66  ? 39.311 8.969   29.824 1.00 9.40  ? 66  LEU A CG  1 
ATOM   578  C  CD1 . LEU A 1 66  ? 38.949 7.499   29.909 1.00 9.73  ? 66  LEU A CD1 1 
ATOM   579  C  CD2 . LEU A 1 66  ? 40.780 9.181   30.141 1.00 10.32 ? 66  LEU A CD2 1 
ATOM   580  N  N   . LYS A 1 67  ? 37.896 11.476  26.182 1.00 10.50 ? 67  LYS A N   1 
ATOM   581  C  CA  . LYS A 1 67  ? 37.864 11.951  24.783 1.00 8.61  ? 67  LYS A CA  1 
ATOM   582  C  C   . LYS A 1 67  ? 38.307 13.417  24.723 1.00 10.99 ? 67  LYS A C   1 
ATOM   583  O  O   . LYS A 1 67  ? 39.067 13.796  23.860 1.00 11.33 ? 67  LYS A O   1 
ATOM   584  C  CB  . LYS A 1 67  ? 36.448 11.767  24.229 1.00 11.03 ? 67  LYS A CB  1 
ATOM   585  C  CG  . LYS A 1 67  ? 36.265 12.240  22.795 1.00 16.21 ? 67  LYS A CG  1 
ATOM   586  C  CD  . LYS A 1 67  ? 34.869 12.053  22.249 1.00 24.81 ? 67  LYS A CD  1 
ATOM   587  C  CE  . LYS A 1 67  ? 34.660 12.823  20.962 1.00 39.85 ? 67  LYS A CE  1 
ATOM   588  N  NZ  . LYS A 1 67  ? 33.435 12.389  20.251 1.00 52.42 ? 67  LYS A NZ  1 
ATOM   589  N  N   . MET A 1 68  ? 37.797 14.201  25.649 1.00 10.50 ? 68  MET A N   1 
ATOM   590  C  CA  . MET A 1 68  ? 38.167 15.643  25.681 1.00 11.65 ? 68  MET A CA  1 
ATOM   591  C  C   . MET A 1 68  ? 39.672 15.822  25.969 1.00 11.14 ? 68  MET A C   1 
ATOM   592  O  O   . MET A 1 68  ? 40.277 16.672  25.360 1.00 12.05 ? 68  MET A O   1 
ATOM   593  C  CB  . MET A 1 68  ? 37.329 16.373  26.739 1.00 10.66 ? 68  MET A CB  1 
ATOM   594  C  CG  . MET A 1 68  ? 37.618 17.858  26.849 1.00 10.51 ? 68  MET A CG  1 
ATOM   595  S  SD  . MET A 1 68  ? 38.964 18.189  28.022 1.00 12.66 ? 68  MET A SD  1 
ATOM   596  C  CE  . MET A 1 68  ? 38.150 17.810  29.575 1.00 13.50 ? 68  MET A CE  1 
ATOM   597  N  N   . GLN A 1 69  ? 40.212 15.027  26.882 1.00 11.75 ? 69  GLN A N   1 
ATOM   598  C  CA  . GLN A 1 69  ? 41.646 15.102  27.222 1.00 9.83  ? 69  GLN A CA  1 
ATOM   599  C  C   . GLN A 1 69  ? 42.447 14.964  25.924 1.00 9.80  ? 69  GLN A C   1 
ATOM   600  O  O   . GLN A 1 69  ? 43.328 15.748  25.661 1.00 11.56 ? 69  GLN A O   1 
ATOM   601  C  CB  . GLN A 1 69  ? 41.960 13.990  28.231 1.00 10.24 ? 69  GLN A CB  1 
ATOM   602  C  CG  . GLN A 1 69  ? 43.419 13.888  28.659 1.00 13.18 ? 69  GLN A CG  1 
ATOM   603  C  CD  . GLN A 1 69  ? 43.768 14.910  29.710 1.00 11.98 ? 69  GLN A CD  1 
ATOM   604  O  OE1 . GLN A 1 69  ? 43.880 16.092  29.424 1.00 13.49 ? 69  GLN A OE1 1 
ATOM   605  N  NE2 . GLN A 1 69  ? 43.947 14.457  30.939 1.00 11.98 ? 69  GLN A NE2 1 
ATOM   606  N  N   . ASN A 1 70  ? 42.054 13.986  25.131 1.00 9.67  ? 70  ASN A N   1 
ATOM   607  C  CA  . ASN A 1 70  ? 42.781 13.786  23.858 1.00 9.08  ? 70  ASN A CA  1 
ATOM   608  C  C   . ASN A 1 70  ? 42.506 14.937  22.874 1.00 9.67  ? 70  ASN A C   1 
ATOM   609  O  O   . ASN A 1 70  ? 43.403 15.307  22.138 1.00 11.49 ? 70  ASN A O   1 
ATOM   610  C  CB  . ASN A 1 70  ? 42.430 12.430  23.248 1.00 10.63 ? 70  ASN A CB  1 
ATOM   611  C  CG  . ASN A 1 70  ? 43.260 11.293  23.798 1.00 11.87 ? 70  ASN A CG  1 
ATOM   612  O  OD1 . ASN A 1 70  ? 44.223 11.520  24.514 1.00 15.29 ? 70  ASN A OD1 1 
ATOM   613  N  ND2 . ASN A 1 70  ? 42.884 10.072  23.470 1.00 10.11 ? 70  ASN A ND2 1 
ATOM   614  N  N   . GLN A 1 71  ? 41.276 15.435  22.864 1.00 11.23 ? 71  GLN A N   1 
ATOM   615  C  CA  . GLN A 1 71  ? 40.967 16.491  21.871 1.00 9.97  ? 71  GLN A CA  1 
ATOM   616  C  C   . GLN A 1 71  ? 41.828 17.721  22.186 1.00 10.51 ? 71  GLN A C   1 
ATOM   617  O  O   . GLN A 1 71  ? 42.134 18.467  21.282 1.00 12.13 ? 71  GLN A O   1 
ATOM   618  C  CB  . GLN A 1 71  ? 39.494 16.883  21.950 1.00 11.38 ? 71  GLN A CB  1 
ATOM   619  C  CG  . GLN A 1 71  ? 38.553 15.882  21.311 1.00 12.43 ? 71  GLN A CG  1 
ATOM   620  C  CD  . GLN A 1 71  ? 37.117 16.227  21.617 1.00 22.50 ? 71  GLN A CD  1 
ATOM   621  O  OE1 . GLN A 1 71  ? 36.782 16.634  22.724 1.00 23.50 ? 71  GLN A OE1 1 
ATOM   622  N  NE2 . GLN A 1 71  ? 36.258 16.072  20.627 1.00 32.00 ? 71  GLN A NE2 1 
ATOM   623  N  N   . ARG A 1 72  ? 42.156 17.898  23.459 1.00 9.97  ? 72  ARG A N   1 
ATOM   624  C  CA  . ARG A 1 72  ? 42.945 19.091  23.847 1.00 9.50  ? 72  ARG A CA  1 
ATOM   625  C  C   . ARG A 1 72  ? 44.458 18.837  23.803 1.00 12.27 ? 72  ARG A C   1 
ATOM   626  O  O   . ARG A 1 72  ? 45.198 19.779  23.960 1.00 12.39 ? 72  ARG A O   1 
ATOM   627  C  CB  . ARG A 1 72  ? 42.592 19.563  25.255 1.00 9.49  ? 72  ARG A CB  1 
ATOM   628  C  CG  . ARG A 1 72  ? 41.174 20.084  25.420 1.00 9.70  ? 72  ARG A CG  1 
ATOM   629  C  CD  . ARG A 1 72  ? 40.940 21.360  24.639 1.00 8.78  ? 72  ARG A CD  1 
ATOM   630  N  NE  . ARG A 1 72  ? 41.864 22.447  24.926 1.00 9.68  ? 72  ARG A NE  1 
ATOM   631  C  CZ  . ARG A 1 72  ? 41.714 23.342  25.896 1.00 9.24  ? 72  ARG A CZ  1 
ATOM   632  N  NH1 . ARG A 1 72  ? 40.688 23.268  26.725 1.00 9.61  ? 72  ARG A NH1 1 
ATOM   633  N  NH2 . ARG A 1 72  ? 42.606 24.307  26.037 1.00 9.80  ? 72  ARG A NH2 1 
ATOM   634  N  N   . GLY A 1 73  ? 44.877 17.606  23.557 1.00 13.50 ? 73  GLY A N   1 
ATOM   635  C  CA  . GLY A 1 73  ? 46.321 17.333  23.473 1.00 12.19 ? 73  GLY A CA  1 
ATOM   636  C  C   . GLY A 1 73  ? 46.937 16.908  24.786 1.00 12.11 ? 73  GLY A C   1 
ATOM   637  O  O   . GLY A 1 73  ? 48.145 16.800  24.863 1.00 13.96 ? 73  GLY A O   1 
ATOM   638  N  N   . GLY A 1 74  ? 46.093 16.722  25.784 1.00 13.69 ? 74  GLY A N   1 
ATOM   639  C  CA  . GLY A 1 74  ? 46.583 16.202  27.060 1.00 12.93 ? 74  GLY A CA  1 
ATOM   640  C  C   . GLY A 1 74  ? 46.769 14.690  26.995 1.00 10.92 ? 74  GLY A C   1 
ATOM   641  O  O   . GLY A 1 74  ? 46.410 14.066  26.009 1.00 12.92 ? 74  GLY A O   1 
ATOM   642  N  N   . ARG A 1 75  ? 47.335 14.160  28.070 1.00 10.60 ? 75  ARG A N   1 
ATOM   643  C  CA  . ARG A 1 75  ? 47.617 12.708  28.097 1.00 12.76 ? 75  ARG A CA  1 
ATOM   644  C  C   . ARG A 1 75  ? 46.850 12.027  29.228 1.00 10.68 ? 75  ARG A C   1 
ATOM   645  O  O   . ARG A 1 75  ? 47.021 12.365  30.387 1.00 12.57 ? 75  ARG A O   1 
ATOM   646  C  CB  . ARG A 1 75  ? 49.118 12.500  28.231 1.00 14.27 ? 75  ARG A CB  1 
ATOM   647  C  CG  . ARG A 1 75  ? 49.847 12.343  26.903 1.00 20.74 ? 75  ARG A CG  1 
ATOM   648  C  CD  . ARG A 1 75  ? 49.015 12.001  25.664 1.00 14.19 ? 75  ARG A CD  1 
ATOM   649  N  NE  . ARG A 1 75  ? 49.628 12.426  24.398 1.00 19.89 ? 75  ARG A NE  1 
ATOM   650  C  CZ  . ARG A 1 75  ? 48.998 13.125  23.465 1.00 13.55 ? 75  ARG A CZ  1 
ATOM   651  N  NH1 . ARG A 1 75  ? 47.710 13.399  23.601 1.00 9.96  ? 75  ARG A NH1 1 
ATOM   652  N  NH2 . ARG A 1 75  ? 49.660 13.556  22.411 1.00 17.17 ? 75  ARG A NH2 1 
ATOM   653  N  N   . ALA A 1 76  ? 45.995 11.124  28.819 1.00 11.06 ? 76  ALA A N   1 
ATOM   654  C  CA  . ALA A 1 76  ? 45.247 10.299  29.783 1.00 12.93 ? 76  ALA A CA  1 
ATOM   655  C  C   . ALA A 1 76  ? 46.214 9.504   30.654 1.00 14.66 ? 76  ALA A C   1 
ATOM   656  O  O   . ALA A 1 76  ? 47.054 8.786   30.112 1.00 16.61 ? 76  ALA A O   1 
ATOM   657  C  CB  . ALA A 1 76  ? 44.338 9.345   29.058 1.00 14.76 ? 76  ALA A CB  1 
ATOM   658  N  N   . LEU A 1 77  ? 46.052 9.614   31.957 1.00 11.24 ? 77  LEU A N   1 
ATOM   659  C  CA  . LEU A 1 77  ? 46.850 8.793   32.883 1.00 12.15 ? 77  LEU A CA  1 
ATOM   660  C  C   . LEU A 1 77  ? 45.858 8.150   33.852 1.00 13.22 ? 77  LEU A C   1 
ATOM   661  O  O   . LEU A 1 77  ? 45.025 8.838   34.407 1.00 17.56 ? 77  LEU A O   1 
ATOM   662  C  CB  . LEU A 1 77  ? 47.859 9.659   33.630 1.00 16.14 ? 77  LEU A CB  1 
ATOM   663  C  CG  . LEU A 1 77  ? 49.073 10.087  32.815 1.00 22.35 ? 77  LEU A CG  1 
ATOM   664  C  CD1 . LEU A 1 77  ? 49.960 10.997  33.643 1.00 22.47 ? 77  LEU A CD1 1 
ATOM   665  C  CD2 . LEU A 1 77  ? 49.853 8.873   32.333 1.00 21.26 ? 77  LEU A CD2 1 
ATOM   666  N  N   . PHE A 1 78  ? 45.976 6.835   33.988 1.00 13.33 ? 78  PHE A N   1 
ATOM   667  C  CA  . PHE A 1 78  ? 45.040 6.097   34.850 1.00 14.42 ? 78  PHE A CA  1 
ATOM   668  C  C   . PHE A 1 78  ? 45.738 5.709   36.153 1.00 14.65 ? 78  PHE A C   1 
ATOM   669  O  O   . PHE A 1 78  ? 46.917 5.413   36.168 1.00 17.22 ? 78  PHE A O   1 
ATOM   670  C  CB  . PHE A 1 78  ? 44.525 4.880   34.089 1.00 11.81 ? 78  PHE A CB  1 
ATOM   671  C  CG  . PHE A 1 78  ? 43.749 5.234   32.852 1.00 12.80 ? 78  PHE A CG  1 
ATOM   672  C  CD1 . PHE A 1 78  ? 42.426 5.624   32.940 1.00 16.57 ? 78  PHE A CD1 1 
ATOM   673  C  CD2 . PHE A 1 78  ? 44.351 5.213   31.607 1.00 13.66 ? 78  PHE A CD2 1 
ATOM   674  C  CE1 . PHE A 1 78  ? 41.712 5.963   31.804 1.00 15.03 ? 78  PHE A CE1 1 
ATOM   675  C  CE2 . PHE A 1 78  ? 43.636 5.553   30.474 1.00 13.02 ? 78  PHE A CE2 1 
ATOM   676  C  CZ  . PHE A 1 78  ? 42.319 5.922   30.575 1.00 13.92 ? 78  PHE A CZ  1 
ATOM   677  N  N   . GLN A 1 79  ? 44.932 5.723   37.197 1.00 13.73 ? 79  GLN A N   1 
ATOM   678  C  CA  . GLN A 1 79  ? 45.439 5.281   38.504 1.00 14.32 ? 79  GLN A CA  1 
ATOM   679  C  C   . GLN A 1 79  ? 44.592 4.110   38.999 1.00 15.09 ? 79  GLN A C   1 
ATOM   680  O  O   . GLN A 1 79  ? 43.564 3.811   38.416 1.00 16.39 ? 79  GLN A O   1 
ATOM   681  C  CB  . GLN A 1 79  ? 45.328 6.429   39.499 1.00 18.02 ? 79  GLN A CB  1 
ATOM   682  C  CG  . GLN A 1 79  ? 46.227 7.617   39.178 1.00 20.60 ? 79  GLN A CG  1 
ATOM   683  C  CD  . GLN A 1 79  ? 47.678 7.250   38.962 1.00 37.12 ? 79  GLN A CD  1 
ATOM   684  O  OE1 . GLN A 1 79  ? 48.221 6.323   39.574 1.00 29.42 ? 79  GLN A OE1 1 
ATOM   685  N  NE2 . GLN A 1 79  ? 48.331 7.998   38.084 1.00 45.31 ? 79  GLN A NE2 1 
ATOM   686  N  N   . ASP A 1 80  ? 45.053 3.492   40.083 1.00 13.93 ? 80  ASP A N   1 
ATOM   687  C  CA  . ASP A 1 80  ? 44.269 2.382   40.665 1.00 13.80 ? 80  ASP A CA  1 
ATOM   688  C  C   . ASP A 1 80  ? 42.872 2.914   40.966 1.00 19.60 ? 80  ASP A C   1 
ATOM   689  O  O   . ASP A 1 80  ? 42.722 4.083   41.319 1.00 20.26 ? 80  ASP A O   1 
ATOM   690  C  CB  . ASP A 1 80  ? 44.980 1.750   41.863 1.00 17.15 ? 80  ASP A CB  1 
ATOM   691  C  CG  . ASP A 1 80  ? 46.415 1.271   41.688 1.00 24.03 ? 80  ASP A CG  1 
ATOM   692  O  OD1 . ASP A 1 80  ? 46.724 0.673   40.651 1.00 16.34 ? 80  ASP A OD1 1 
ATOM   693  O  OD2 . ASP A 1 80  ? 47.214 1.473   42.622 1.00 32.26 ? 80  ASP A OD2 1 
ATOM   694  N  N   . LEU A 1 81  ? 41.890 2.040   40.810 1.00 15.92 ? 81  LEU A N   1 
ATOM   695  C  CA  A LEU A 1 81  ? 40.499 2.398   41.178 0.59 14.55 ? 81  LEU A CA  1 
ATOM   696  C  CA  B LEU A 1 81  ? 40.495 2.400   41.186 0.41 14.62 ? 81  LEU A CA  1 
ATOM   697  C  C   . LEU A 1 81  ? 40.155 1.764   42.565 1.00 16.70 ? 81  LEU A C   1 
ATOM   698  O  O   . LEU A 1 81  ? 40.139 0.521   42.810 1.00 19.03 ? 81  LEU A O   1 
ATOM   699  C  CB  A LEU A 1 81  ? 39.466 1.883   40.164 0.59 21.36 ? 81  LEU A CB  1 
ATOM   700  C  CB  B LEU A 1 81  ? 39.533 1.907   40.100 0.41 21.26 ? 81  LEU A CB  1 
ATOM   701  C  CG  A LEU A 1 81  ? 39.298 2.639   38.856 0.59 21.67 ? 81  LEU A CG  1 
ATOM   702  C  CG  B LEU A 1 81  ? 38.358 2.826   39.776 0.41 18.15 ? 81  LEU A CG  1 
ATOM   703  C  CD1 A LEU A 1 81  ? 38.165 2.007   38.064 0.59 18.49 ? 81  LEU A CD1 1 
ATOM   704  C  CD1 B LEU A 1 81  ? 38.853 4.128   39.168 0.41 16.65 ? 81  LEU A CD1 1 
ATOM   705  C  CD2 A LEU A 1 81  ? 38.998 4.102   39.116 0.59 16.59 ? 81  LEU A CD2 1 
ATOM   706  C  CD2 B LEU A 1 81  ? 37.389 2.131   38.833 0.41 16.00 ? 81  LEU A CD2 1 
ATOM   707  N  N   . GLN A 1 82  ? 39.931 2.654   43.510 1.00 13.90 ? 82  GLN A N   1 
ATOM   708  C  CA  . GLN A 1 82  ? 39.614 2.197   44.869 1.00 15.76 ? 82  GLN A CA  1 
ATOM   709  C  C   . GLN A 1 82  ? 38.268 1.476   44.890 1.00 14.34 ? 82  GLN A C   1 
ATOM   710  O  O   . GLN A 1 82  ? 37.346 1.926   44.223 1.00 17.29 ? 82  GLN A O   1 
ATOM   711  C  CB  . GLN A 1 82  ? 39.553 3.374   45.835 1.00 18.80 ? 82  GLN A CB  1 
ATOM   712  C  CG  . GLN A 1 82  ? 40.928 3.865   46.254 1.00 26.41 ? 82  GLN A CG  1 
ATOM   713  N  N   . LYS A 1 83  ? 38.222 0.379   45.630 1.00 17.86 ? 83  LYS A N   1 
ATOM   714  C  CA  . LYS A 1 83  ? 36.965 -0.370  45.812 1.00 15.59 ? 83  LYS A CA  1 
ATOM   715  C  C   . LYS A 1 83  ? 35.949 0.540   46.490 1.00 15.89 ? 83  LYS A C   1 
ATOM   716  O  O   . LYS A 1 83  ? 36.328 1.458   47.185 1.00 16.63 ? 83  LYS A O   1 
ATOM   717  C  CB  . LYS A 1 83  ? 37.231 -1.621  46.651 1.00 16.38 ? 83  LYS A CB  1 
ATOM   718  C  CG  . LYS A 1 83  ? 37.466 -1.431  48.136 1.00 17.95 ? 83  LYS A CG  1 
ATOM   719  C  CD  . LYS A 1 83  ? 37.711 -2.769  48.780 1.00 21.21 ? 83  LYS A CD  1 
ATOM   720  C  CE  . LYS A 1 83  ? 37.665 -2.754  50.290 1.00 23.33 ? 83  LYS A CE  1 
ATOM   721  N  NZ  . LYS A 1 83  ? 37.853 -4.122  50.823 1.00 28.55 ? 83  LYS A NZ  1 
ATOM   722  N  N   . PRO A 1 84  ? 34.651 0.249   46.302 1.00 12.14 ? 84  PRO A N   1 
ATOM   723  C  CA  . PRO A 1 84  ? 33.626 1.023   46.975 1.00 13.27 ? 84  PRO A CA  1 
ATOM   724  C  C   . PRO A 1 84  ? 33.771 1.034   48.503 1.00 15.29 ? 84  PRO A C   1 
ATOM   725  O  O   . PRO A 1 84  ? 34.361 0.138   49.046 1.00 17.37 ? 84  PRO A O   1 
ATOM   726  C  CB  . PRO A 1 84  ? 32.319 0.382   46.482 1.00 10.69 ? 84  PRO A CB  1 
ATOM   727  C  CG  . PRO A 1 84  ? 32.696 -0.223  45.157 1.00 11.69 ? 84  PRO A CG  1 
ATOM   728  C  CD  . PRO A 1 84  ? 34.076 -0.778  45.416 1.00 12.50 ? 84  PRO A CD  1 
ATOM   729  N  N   . SER A 1 85  ? 33.146 2.030   49.120 1.00 14.87 ? 85  SER A N   1 
ATOM   730  C  CA  . SER A 1 85  ? 33.296 2.262   50.576 1.00 16.06 ? 85  SER A CA  1 
ATOM   731  C  C   . SER A 1 85  ? 32.636 1.167   51.409 1.00 17.78 ? 85  SER A C   1 
ATOM   732  O  O   . SER A 1 85  ? 33.003 1.010   52.556 1.00 20.53 ? 85  SER A O   1 
ATOM   733  C  CB  . SER A 1 85  ? 32.736 3.627   50.912 1.00 18.04 ? 85  SER A CB  1 
ATOM   734  O  OG  . SER A 1 85  ? 31.342 3.699   50.676 1.00 25.87 ? 85  SER A OG  1 
ATOM   735  N  N   . GLN A 1 86  ? 31.676 0.474   50.825 1.00 14.26 ? 86  GLN A N   1 
ATOM   736  C  CA  A GLN A 1 86  ? 30.958 -0.600  51.552 0.57 13.89 ? 86  GLN A CA  1 
ATOM   737  C  CA  B GLN A 1 86  ? 30.955 -0.599  51.552 0.43 13.93 ? 86  GLN A CA  1 
ATOM   738  C  C   . GLN A 1 86  ? 30.814 -1.890  50.702 1.00 13.07 ? 86  GLN A C   1 
ATOM   739  O  O   . GLN A 1 86  ? 30.894 -1.907  49.435 1.00 14.06 ? 86  GLN A O   1 
ATOM   740  C  CB  A GLN A 1 86  ? 29.558 -0.130  51.958 0.57 15.53 ? 86  GLN A CB  1 
ATOM   741  C  CB  B GLN A 1 86  ? 29.539 -0.152  51.929 0.43 15.51 ? 86  GLN A CB  1 
ATOM   742  C  CG  A GLN A 1 86  ? 29.576 1.106   52.842 0.57 15.90 ? 86  GLN A CG  1 
ATOM   743  C  CG  B GLN A 1 86  ? 29.482 1.199   52.622 0.43 16.17 ? 86  GLN A CG  1 
ATOM   744  C  CD  A GLN A 1 86  ? 28.205 1.702   53.034 0.57 17.30 ? 86  GLN A CD  1 
ATOM   745  C  CD  B GLN A 1 86  ? 29.867 1.089   54.075 0.43 22.01 ? 86  GLN A CD  1 
ATOM   746  O  OE1 A GLN A 1 86  ? 28.047 2.914   53.151 0.57 21.42 ? 86  GLN A OE1 1 
ATOM   747  O  OE1 B GLN A 1 86  ? 30.309 2.052   54.696 0.43 30.09 ? 86  GLN A OE1 1 
ATOM   748  N  NE2 A GLN A 1 86  ? 27.197 0.847   53.077 0.57 17.10 ? 86  GLN A NE2 1 
ATOM   749  N  NE2 B GLN A 1 86  ? 29.693 -0.096  54.632 0.43 17.89 ? 86  GLN A NE2 1 
ATOM   750  N  N   . ASP A 1 87  ? 30.712 -2.992  51.425 1.00 14.10 ? 87  ASP A N   1 
ATOM   751  C  CA  . ASP A 1 87  ? 30.447 -4.288  50.763 1.00 13.38 ? 87  ASP A CA  1 
ATOM   752  C  C   . ASP A 1 87  ? 28.950 -4.586  50.779 1.00 15.30 ? 87  ASP A C   1 
ATOM   753  O  O   . ASP A 1 87  ? 28.476 -5.258  49.881 1.00 15.74 ? 87  ASP A O   1 
ATOM   754  C  CB  . ASP A 1 87  ? 31.165 -5.430  51.483 1.00 12.70 ? 87  ASP A CB  1 
ATOM   755  C  CG  . ASP A 1 87  ? 32.676 -5.338  51.377 1.00 16.63 ? 87  ASP A CG  1 
ATOM   756  O  OD1 . ASP A 1 87  ? 33.158 -4.906  50.327 1.00 15.09 ? 87  ASP A OD1 1 
ATOM   757  O  OD2 . ASP A 1 87  ? 33.346 -5.705  52.350 1.00 20.90 ? 87  ASP A OD2 1 
ATOM   758  N  N   . GLU A 1 88  ? 28.282 -4.118  51.822 1.00 13.44 ? 88  GLU A N   1 
ATOM   759  C  CA  . GLU A 1 88  ? 26.796 -4.222  51.973 1.00 15.21 ? 88  GLU A CA  1 
ATOM   760  C  C   . GLU A 1 88  ? 26.275 -2.761  52.128 1.00 13.70 ? 88  GLU A C   1 
ATOM   761  O  O   . GLU A 1 88  ? 26.854 -1.887  52.840 1.00 16.43 ? 88  GLU A O   1 
ATOM   762  C  CB  . GLU A 1 88  ? 26.447 -5.094  53.170 1.00 15.89 ? 88  GLU A CB  1 
ATOM   763  C  CG  . GLU A 1 88  ? 26.927 -6.521  52.996 1.00 23.79 ? 88  GLU A CG  1 
ATOM   764  C  CD  . GLU A 1 88  ? 26.455 -7.481  54.070 1.00 37.55 ? 88  GLU A CD  1 
ATOM   765  O  OE1 . GLU A 1 88  ? 26.754 -7.231  55.250 1.00 44.13 ? 88  GLU A OE1 1 
ATOM   766  O  OE2 . GLU A 1 88  ? 25.794 -8.473  53.721 1.00 42.07 ? 88  GLU A OE2 1 
ATOM   767  N  N   . TRP A 1 89  ? 25.090 -2.496  51.585 1.00 12.63 ? 89  TRP A N   1 
ATOM   768  C  CA  . TRP A 1 89  ? 24.649 -1.080  51.435 1.00 12.31 ? 89  TRP A CA  1 
ATOM   769  C  C   . TRP A 1 89  ? 23.402 -0.761  52.266 1.00 12.28 ? 89  TRP A C   1 
ATOM   770  O  O   . TRP A 1 89  ? 22.909 0.347   52.162 1.00 13.68 ? 89  TRP A O   1 
ATOM   771  C  CB  . TRP A 1 89  ? 24.443 -0.745  49.956 1.00 11.90 ? 89  TRP A CB  1 
ATOM   772  C  CG  . TRP A 1 89  ? 25.725 -0.785  49.181 1.00 11.86 ? 89  TRP A CG  1 
ATOM   773  C  CD1 . TRP A 1 89  ? 26.177 -1.793  48.382 1.00 11.14 ? 89  TRP A CD1 1 
ATOM   774  C  CD2 . TRP A 1 89  ? 26.739 0.233   49.146 1.00 12.39 ? 89  TRP A CD2 1 
ATOM   775  N  NE1 . TRP A 1 89  ? 27.395 -1.473  47.851 1.00 10.70 ? 89  TRP A NE1 1 
ATOM   776  C  CE2 . TRP A 1 89  ? 27.763 -0.235  48.298 1.00 12.65 ? 89  TRP A CE2 1 
ATOM   777  C  CE3 . TRP A 1 89  ? 26.870 1.495   49.731 1.00 12.07 ? 89  TRP A CE3 1 
ATOM   778  C  CZ2 . TRP A 1 89  ? 28.907 0.513   48.034 1.00 12.99 ? 89  TRP A CZ2 1 
ATOM   779  C  CZ3 . TRP A 1 89  ? 28.002 2.231   49.472 1.00 14.04 ? 89  TRP A CZ3 1 
ATOM   780  C  CH2 . TRP A 1 89  ? 29.003 1.746   48.633 1.00 11.83 ? 89  TRP A CH2 1 
ATOM   781  N  N   . GLY A 1 90  ? 22.959 -1.710  53.072 1.00 11.76 ? 90  GLY A N   1 
ATOM   782  C  CA  . GLY A 1 90  ? 21.823 -1.445  53.968 1.00 11.73 ? 90  GLY A CA  1 
ATOM   783  C  C   . GLY A 1 90  ? 20.490 -1.352  53.269 1.00 11.78 ? 90  GLY A C   1 
ATOM   784  O  O   . GLY A 1 90  ? 20.195 -2.169  52.418 1.00 11.96 ? 90  GLY A O   1 
ATOM   785  N  N   . THR A 1 91  ? 19.700 -0.381  53.703 1.00 11.49 ? 91  THR A N   1 
ATOM   786  C  CA  . THR A 1 91  ? 18.362 -0.200  53.125 1.00 12.36 ? 91  THR A CA  1 
ATOM   787  C  C   . THR A 1 91  ? 18.402 0.692   51.882 1.00 10.68 ? 91  THR A C   1 
ATOM   788  O  O   . THR A 1 91  ? 19.434 1.254   51.588 1.00 11.54 ? 91  THR A O   1 
ATOM   789  C  CB  . THR A 1 91  ? 17.449 0.477   54.147 1.00 12.24 ? 91  THR A CB  1 
ATOM   790  O  OG1 . THR A 1 91  ? 17.987 1.751   54.488 1.00 12.29 ? 91  THR A OG1 1 
ATOM   791  C  CG2 . THR A 1 91  ? 17.277 -0.354  55.399 1.00 15.50 ? 91  THR A CG2 1 
ATOM   792  N  N   . THR A 1 92  ? 17.274 0.759   51.180 1.00 11.67 ? 92  THR A N   1 
ATOM   793  C  CA  . THR A 1 92  ? 17.191 1.676   50.022 1.00 10.14 ? 92  THR A CA  1 
ATOM   794  C  C   . THR A 1 92  ? 17.539 3.090   50.487 1.00 11.72 ? 92  THR A C   1 
ATOM   795  O  O   . THR A 1 92  ? 18.213 3.796   49.797 1.00 12.30 ? 92  THR A O   1 
ATOM   796  C  CB  . THR A 1 92  ? 15.778 1.649   49.440 1.00 11.78 ? 92  THR A CB  1 
ATOM   797  O  OG1 . THR A 1 92  ? 15.494 0.307   49.053 1.00 11.65 ? 92  THR A OG1 1 
ATOM   798  C  CG2 . THR A 1 92  ? 15.633 2.551   48.236 1.00 12.05 ? 92  THR A CG2 1 
ATOM   799  N  N   . LEU A 1 93  ? 17.062 3.420   51.679 1.00 11.78 ? 93  LEU A N   1 
ATOM   800  C  CA  . LEU A 1 93  ? 17.333 4.771   52.228 1.00 11.03 ? 93  LEU A CA  1 
ATOM   801  C  C   . LEU A 1 93  ? 18.845 4.936   52.429 1.00 11.48 ? 93  LEU A C   1 
ATOM   802  O  O   . LEU A 1 93  ? 19.378 5.950   52.053 1.00 13.14 ? 93  LEU A O   1 
ATOM   803  C  CB  . LEU A 1 93  ? 16.563 4.962   53.539 1.00 12.03 ? 93  LEU A CB  1 
ATOM   804  C  CG  . LEU A 1 93  ? 16.818 6.265   54.287 1.00 16.45 ? 93  LEU A CG  1 
ATOM   805  C  CD1 . LEU A 1 93  ? 16.493 7.456   53.405 1.00 20.73 ? 93  LEU A CD1 1 
ATOM   806  C  CD2 . LEU A 1 93  ? 15.982 6.307   55.555 1.00 21.24 ? 93  LEU A CD2 1 
ATOM   807  N  N   . ASP A 1 94  ? 19.470 3.932   53.036 1.00 11.69 ? 94  ASP A N   1 
ATOM   808  C  CA  . ASP A 1 94  ? 20.925 4.032   53.297 1.00 9.87  ? 94  ASP A CA  1 
ATOM   809  C  C   . ASP A 1 94  ? 21.649 4.216   51.969 1.00 13.74 ? 94  ASP A C   1 
ATOM   810  O  O   . ASP A 1 94  ? 22.583 5.012   51.899 1.00 12.27 ? 94  ASP A O   1 
ATOM   811  C  CB  . ASP A 1 94  ? 21.444 2.761   53.975 1.00 11.50 ? 94  ASP A CB  1 
ATOM   812  C  CG  . ASP A 1 94  ? 20.970 2.552   55.400 1.00 15.14 ? 94  ASP A CG  1 
ATOM   813  O  OD1 . ASP A 1 94  ? 20.848 3.544   56.120 1.00 18.43 ? 94  ASP A OD1 1 
ATOM   814  O  OD2 . ASP A 1 94  ? 20.765 1.394   55.774 1.00 14.58 ? 94  ASP A OD2 1 
ATOM   815  N  N   . ALA A 1 95  ? 21.220 3.442   50.988 1.00 10.67 ? 95  ALA A N   1 
ATOM   816  C  CA  . ALA A 1 95  ? 21.906 3.476   49.684 1.00 9.54  ? 95  ALA A CA  1 
ATOM   817  C  C   . ALA A 1 95  ? 21.711 4.829   48.990 1.00 10.07 ? 95  ALA A C   1 
ATOM   818  O  O   . ALA A 1 95  ? 22.638 5.335   48.394 1.00 11.80 ? 95  ALA A O   1 
ATOM   819  C  CB  . ALA A 1 95  ? 21.373 2.345   48.837 1.00 10.90 ? 95  ALA A CB  1 
ATOM   820  N  N   . MET A 1 96  ? 20.484 5.318   49.036 1.00 10.72 ? 96  MET A N   1 
ATOM   821  C  CA  . MET A 1 96  ? 20.190 6.580   48.328 1.00 11.01 ? 96  MET A CA  1 
ATOM   822  C  C   . MET A 1 96  ? 20.937 7.733   49.026 1.00 10.83 ? 96  MET A C   1 
ATOM   823  O  O   . MET A 1 96  ? 21.362 8.652   48.345 1.00 11.68 ? 96  MET A O   1 
ATOM   824  C  CB  . MET A 1 96  ? 18.676 6.818   48.283 1.00 10.01 ? 96  MET A CB  1 
ATOM   825  C  CG  . MET A 1 96  ? 18.244 7.914   47.329 1.00 9.20  ? 96  MET A CG  1 
ATOM   826  S  SD  . MET A 1 96  ? 18.546 7.472   45.598 1.00 12.99 ? 96  MET A SD  1 
ATOM   827  C  CE  . MET A 1 96  ? 17.421 6.092   45.386 1.00 12.37 ? 96  MET A CE  1 
ATOM   828  N  N   . LYS A 1 97  ? 21.087 7.638   50.345 1.00 11.82 ? 97  LYS A N   1 
ATOM   829  C  CA  . LYS A 1 97  ? 21.873 8.665   51.084 1.00 13.56 ? 97  LYS A CA  1 
ATOM   830  C  C   . LYS A 1 97  ? 23.341 8.590   50.636 1.00 12.54 ? 97  LYS A C   1 
ATOM   831  O  O   . LYS A 1 97  ? 23.939 9.625   50.386 1.00 13.92 ? 97  LYS A O   1 
ATOM   832  C  CB  . LYS A 1 97  ? 21.776 8.430   52.595 1.00 12.23 ? 97  LYS A CB  1 
ATOM   833  C  CG  . LYS A 1 97  ? 20.484 8.899   53.247 1.00 16.27 ? 97  LYS A CG  1 
ATOM   834  C  CD  . LYS A 1 97  ? 20.435 8.537   54.707 1.00 20.32 ? 97  LYS A CD  1 
ATOM   835  C  CE  . LYS A 1 97  ? 19.271 9.159   55.444 1.00 36.49 ? 97  LYS A CE  1 
ATOM   836  N  NZ  . LYS A 1 97  ? 19.054 8.494   56.752 1.00 48.23 ? 97  LYS A NZ  1 
ATOM   837  N  N   . ALA A 1 98  ? 23.862 7.364   50.537 1.00 11.50 ? 98  ALA A N   1 
ATOM   838  C  CA  . ALA A 1 98  ? 25.263 7.199   50.096 1.00 11.56 ? 98  ALA A CA  1 
ATOM   839  C  C   . ALA A 1 98  ? 25.437 7.747   48.669 1.00 11.89 ? 98  ALA A C   1 
ATOM   840  O  O   . ALA A 1 98  ? 26.461 8.338   48.383 1.00 12.24 ? 98  ALA A O   1 
ATOM   841  C  CB  . ALA A 1 98  ? 25.662 5.748   50.187 1.00 13.70 ? 98  ALA A CB  1 
ATOM   842  N  N   . ALA A 1 99  ? 24.443 7.518   47.818 1.00 11.34 ? 99  ALA A N   1 
ATOM   843  C  CA  . ALA A 1 99  ? 24.542 7.990   46.421 1.00 9.71  ? 99  ALA A CA  1 
ATOM   844  C  C   . ALA A 1 99  ? 24.566 9.525   46.358 1.00 10.30 ? 99  ALA A C   1 
ATOM   845  O  O   . ALA A 1 99  ? 25.304 10.066  45.598 1.00 13.08 ? 99  ALA A O   1 
ATOM   846  C  CB  . ALA A 1 99  ? 23.370 7.450   45.659 1.00 12.95 ? 99  ALA A CB  1 
ATOM   847  N  N   . ILE A 1 100 ? 23.679 10.139  47.129 1.00 11.82 ? 100 ILE A N   1 
ATOM   848  C  CA  A ILE A 1 100 ? 23.672 11.637  47.153 0.51 10.09 ? 100 ILE A CA  1 
ATOM   849  C  CA  B ILE A 1 100 ? 23.668 11.637  47.172 0.49 10.10 ? 100 ILE A CA  1 
ATOM   850  C  C   . ILE A 1 100 ? 25.016 12.237  47.672 1.00 12.39 ? 100 ILE A C   1 
ATOM   851  O  O   . ILE A 1 100 ? 25.603 13.241  47.216 1.00 13.76 ? 100 ILE A O   1 
ATOM   852  C  CB  A ILE A 1 100 ? 22.431 12.170  47.906 0.51 10.91 ? 100 ILE A CB  1 
ATOM   853  C  CB  B ILE A 1 100 ? 22.473 12.152  48.002 0.49 10.94 ? 100 ILE A CB  1 
ATOM   854  C  CG1 A ILE A 1 100 ? 22.056 13.573  47.421 0.51 16.08 ? 100 ILE A CG1 1 
ATOM   855  C  CG1 B ILE A 1 100 ? 21.137 11.817  47.342 0.49 12.25 ? 100 ILE A CG1 1 
ATOM   856  C  CG2 A ILE A 1 100 ? 22.635 12.140  49.408 0.51 12.28 ? 100 ILE A CG2 1 
ATOM   857  C  CG2 B ILE A 1 100 ? 22.610 13.643  48.266 0.49 14.99 ? 100 ILE A CG2 1 
ATOM   858  C  CD1 A ILE A 1 100 ? 20.570 13.850  47.422 0.51 13.97 ? 100 ILE A CD1 1 
ATOM   859  C  CD1 B ILE A 1 100 ? 19.946 12.078  48.225 0.49 13.70 ? 100 ILE A CD1 1 
ATOM   860  N  N   . VAL A 1 101 ? 25.548 11.523  48.663 1.00 11.91 ? 101 VAL A N   1 
ATOM   861  C  CA  . VAL A 1 101 ? 26.877 11.941  49.199 1.00 11.75 ? 101 VAL A CA  1 
ATOM   862  C  C   . VAL A 1 101 ? 27.925 11.809  48.078 1.00 11.96 ? 101 VAL A C   1 
ATOM   863  O  O   . VAL A 1 101 ? 28.707 12.723  47.882 1.00 12.65 ? 101 VAL A O   1 
ATOM   864  C  CB  . VAL A 1 101 ? 27.272 11.151  50.463 1.00 13.38 ? 101 VAL A CB  1 
ATOM   865  C  CG1 . VAL A 1 101 ? 28.749 11.304  50.793 1.00 13.84 ? 101 VAL A CG1 1 
ATOM   866  C  CG2 . VAL A 1 101 ? 26.404 11.521  51.651 1.00 16.05 ? 101 VAL A CG2 1 
ATOM   867  N  N   . LEU A 1 102 ? 27.899 10.687  47.384 1.00 11.99 ? 102 LEU A N   1 
ATOM   868  C  CA  . LEU A 1 102 ? 28.846 10.480  46.267 1.00 12.20 ? 102 LEU A CA  1 
ATOM   869  C  C   . LEU A 1 102 ? 28.631 11.576  45.215 1.00 11.83 ? 102 LEU A C   1 
ATOM   870  O  O   . LEU A 1 102 ? 29.597 12.142  44.742 1.00 11.94 ? 102 LEU A O   1 
ATOM   871  C  CB  . LEU A 1 102 ? 28.578 9.088   45.692 1.00 12.90 ? 102 LEU A CB  1 
ATOM   872  C  CG  . LEU A 1 102 ? 29.396 8.670   44.476 1.00 14.79 ? 102 LEU A CG  1 
ATOM   873  C  CD1 . LEU A 1 102 ? 30.881 8.797   44.766 1.00 20.21 ? 102 LEU A CD1 1 
ATOM   874  C  CD2 . LEU A 1 102 ? 29.047 7.244   44.074 1.00 15.70 ? 102 LEU A CD2 1 
ATOM   875  N  N   . GLU A 1 103 ? 27.372 11.800  44.856 1.00 11.50 ? 103 GLU A N   1 
ATOM   876  C  CA  . GLU A 1 103 ? 27.130 12.776  43.773 1.00 11.34 ? 103 GLU A CA  1 
ATOM   877  C  C   . GLU A 1 103 ? 27.574 14.197  44.180 1.00 10.95 ? 103 GLU A C   1 
ATOM   878  O  O   . GLU A 1 103 ? 28.087 14.904  43.339 1.00 11.90 ? 103 GLU A O   1 
ATOM   879  C  CB  . GLU A 1 103 ? 25.645 12.749  43.411 1.00 9.98  ? 103 GLU A CB  1 
ATOM   880  C  CG  . GLU A 1 103 ? 25.233 11.503  42.652 1.00 10.71 ? 103 GLU A CG  1 
ATOM   881  C  CD  . GLU A 1 103 ? 26.090 11.167  41.442 1.00 13.69 ? 103 GLU A CD  1 
ATOM   882  O  OE1 . GLU A 1 103 ? 26.464 12.085  40.711 1.00 13.08 ? 103 GLU A OE1 1 
ATOM   883  O  OE2 . GLU A 1 103 ? 26.376 9.989   41.241 1.00 14.05 ? 103 GLU A OE2 1 
ATOM   884  N  N   . LYS A 1 104 ? 27.314 14.574  45.426 1.00 11.91 ? 104 LYS A N   1 
ATOM   885  C  CA  . LYS A 1 104 ? 27.747 15.922  45.887 1.00 10.85 ? 104 LYS A CA  1 
ATOM   886  C  C   . LYS A 1 104 ? 29.282 16.047  45.802 1.00 12.95 ? 104 LYS A C   1 
ATOM   887  O  O   . LYS A 1 104 ? 29.777 17.124  45.559 1.00 12.08 ? 104 LYS A O   1 
ATOM   888  C  CB  . LYS A 1 104 ? 27.236 16.208  47.305 1.00 11.97 ? 104 LYS A CB  1 
ATOM   889  C  CG  . LYS A 1 104 ? 25.762 16.566  47.401 1.00 16.13 ? 104 LYS A CG  1 
ATOM   890  C  CD  . LYS A 1 104 ? 25.305 16.611  48.833 1.00 24.16 ? 104 LYS A CD  1 
ATOM   891  C  CE  . LYS A 1 104 ? 23.963 17.276  49.020 1.00 26.96 ? 104 LYS A CE  1 
ATOM   892  N  NZ  . LYS A 1 104 ? 23.549 17.227  50.439 1.00 27.24 ? 104 LYS A NZ  1 
ATOM   893  N  N   . SER A 1 105 ? 29.969 14.945  46.085 1.00 12.90 ? 105 SER A N   1 
ATOM   894  C  CA  . SER A 1 105 ? 31.452 14.964  45.987 1.00 12.11 ? 105 SER A CA  1 
ATOM   895  C  C   . SER A 1 105 ? 31.892 15.110  44.524 1.00 12.78 ? 105 SER A C   1 
ATOM   896  O  O   . SER A 1 105 ? 32.820 15.862  44.274 1.00 13.32 ? 105 SER A O   1 
ATOM   897  C  CB  . SER A 1 105 ? 32.065 13.733  46.645 1.00 15.69 ? 105 SER A CB  1 
ATOM   898  O  OG  . SER A 1 105 ? 31.934 12.591  45.817 1.00 21.46 ? 105 SER A OG  1 
ATOM   899  N  N   . LEU A 1 106 ? 31.223 14.400  43.617 1.00 11.82 ? 106 LEU A N   1 
ATOM   900  C  CA  . LEU A 1 106 ? 31.543 14.542  42.175 1.00 11.23 ? 106 LEU A CA  1 
ATOM   901  C  C   . LEU A 1 106 ? 31.220 15.976  41.738 1.00 11.92 ? 106 LEU A C   1 
ATOM   902  O  O   . LEU A 1 106 ? 31.958 16.537  40.987 1.00 11.41 ? 106 LEU A O   1 
ATOM   903  C  CB  . LEU A 1 106 ? 30.731 13.525  41.367 1.00 13.30 ? 106 LEU A CB  1 
ATOM   904  C  CG  . LEU A 1 106 ? 31.124 12.060  41.506 1.00 16.75 ? 106 LEU A CG  1 
ATOM   905  C  CD1 . LEU A 1 106 ? 30.201 11.210  40.653 1.00 18.30 ? 106 LEU A CD1 1 
ATOM   906  C  CD2 . LEU A 1 106 ? 32.569 11.850  41.083 1.00 18.95 ? 106 LEU A CD2 1 
ATOM   907  N  N   . ASN A 1 107 ? 30.087 16.475  42.215 1.00 10.28 ? 107 ASN A N   1 
ATOM   908  C  CA  . ASN A 1 107 ? 29.679 17.850  41.830 1.00 9.30  ? 107 ASN A CA  1 
ATOM   909  C  C   . ASN A 1 107 ? 30.726 18.869  42.309 1.00 9.33  ? 107 ASN A C   1 
ATOM   910  O  O   . ASN A 1 107 ? 31.083 19.743  41.549 1.00 9.80  ? 107 ASN A O   1 
ATOM   911  C  CB  . ASN A 1 107 ? 28.267 18.122  42.356 1.00 11.11 ? 107 ASN A CB  1 
ATOM   912  C  CG  . ASN A 1 107 ? 27.604 19.280  41.644 1.00 11.04 ? 107 ASN A CG  1 
ATOM   913  O  OD1 . ASN A 1 107 ? 27.764 19.441  40.443 1.00 11.64 ? 107 ASN A OD1 1 
ATOM   914  N  ND2 . ASN A 1 107 ? 26.864 20.086  42.381 1.00 11.87 ? 107 ASN A ND2 1 
ATOM   915  N  N   . GLN A 1 108 ? 31.154 18.714  43.553 1.00 11.49 ? 108 GLN A N   1 
ATOM   916  C  CA  . GLN A 1 108 ? 32.195 19.645  44.053 1.00 10.57 ? 108 GLN A CA  1 
ATOM   917  C  C   . GLN A 1 108 ? 33.461 19.546  43.188 1.00 10.32 ? 108 GLN A C   1 
ATOM   918  O  O   . GLN A 1 108 ? 34.091 20.548  42.946 1.00 10.64 ? 108 GLN A O   1 
ATOM   919  C  CB  . GLN A 1 108 ? 32.502 19.381  45.523 1.00 11.20 ? 108 GLN A CB  1 
ATOM   920  C  CG  . GLN A 1 108 ? 33.355 20.480  46.143 1.00 14.34 ? 108 GLN A CG  1 
ATOM   921  C  CD  . GLN A 1 108 ? 32.689 21.828  46.014 1.00 14.27 ? 108 GLN A CD  1 
ATOM   922  O  OE1 . GLN A 1 108 ? 31.590 22.045  46.510 1.00 17.30 ? 108 GLN A OE1 1 
ATOM   923  N  NE2 . GLN A 1 108 ? 33.348 22.747  45.328 1.00 15.24 ? 108 GLN A NE2 1 
ATOM   924  N  N   . ALA A 1 109 ? 33.772 18.337  42.749 1.00 9.73  ? 109 ALA A N   1 
ATOM   925  C  CA  . ALA A 1 109 ? 34.971 18.169  41.908 1.00 9.91  ? 109 ALA A CA  1 
ATOM   926  C  C   . ALA A 1 109 ? 34.767 18.865  40.551 1.00 11.04 ? 109 ALA A C   1 
ATOM   927  O  O   . ALA A 1 109 ? 35.717 19.423  40.033 1.00 11.69 ? 109 ALA A O   1 
ATOM   928  C  CB  . ALA A 1 109 ? 35.294 16.708  41.739 1.00 11.99 ? 109 ALA A CB  1 
ATOM   929  N  N   . LEU A 1 110 ? 33.560 18.773  40.006 1.00 10.70 ? 110 LEU A N   1 
ATOM   930  C  CA  . LEU A 1 110 ? 33.283 19.487  38.739 1.00 9.89  ? 110 LEU A CA  1 
ATOM   931  C  C   . LEU A 1 110 ? 33.422 20.997  38.965 1.00 10.53 ? 110 LEU A C   1 
ATOM   932  O  O   . LEU A 1 110 ? 33.970 21.686  38.124 1.00 12.64 ? 110 LEU A O   1 
ATOM   933  C  CB  . LEU A 1 110 ? 31.845 19.187  38.297 1.00 11.54 ? 110 LEU A CB  1 
ATOM   934  C  CG  . LEU A 1 110 ? 31.532 17.765  37.836 1.00 11.74 ? 110 LEU A CG  1 
ATOM   935  C  CD1 . LEU A 1 110 ? 30.031 17.593  37.664 1.00 13.66 ? 110 LEU A CD1 1 
ATOM   936  C  CD2 . LEU A 1 110 ? 32.245 17.456  36.528 1.00 13.72 ? 110 LEU A CD2 1 
ATOM   937  N  N   . LEU A 1 111 ? 32.847 21.464  40.065 1.00 10.49 ? 111 LEU A N   1 
ATOM   938  C  CA  . LEU A 1 111 ? 32.886 22.917  40.346 1.00 10.18 ? 111 LEU A CA  1 
ATOM   939  C  C   . LEU A 1 111 ? 34.346 23.359  40.553 1.00 11.01 ? 111 LEU A C   1 
ATOM   940  O  O   . LEU A 1 111 ? 34.699 24.444  40.155 1.00 12.06 ? 111 LEU A O   1 
ATOM   941  C  CB  . LEU A 1 111 ? 32.027 23.182  41.592 1.00 10.37 ? 111 LEU A CB  1 
ATOM   942  C  CG  . LEU A 1 111 ? 30.532 22.937  41.409 1.00 11.66 ? 111 LEU A CG  1 
ATOM   943  C  CD1 . LEU A 1 111 ? 29.790 23.096  42.724 1.00 12.20 ? 111 LEU A CD1 1 
ATOM   944  C  CD2 . LEU A 1 111 ? 29.957 23.858  40.345 1.00 13.95 ? 111 LEU A CD2 1 
ATOM   945  N  N   . ASP A 1 112 ? 35.114 22.531  41.233 1.00 10.88 ? 112 ASP A N   1 
ATOM   946  C  CA  . ASP A 1 112 ? 36.523 22.886  41.488 1.00 10.40 ? 112 ASP A CA  1 
ATOM   947  C  C   . ASP A 1 112 ? 37.285 22.972  40.156 1.00 12.12 ? 112 ASP A C   1 
ATOM   948  O  O   . ASP A 1 112 ? 38.094 23.875  39.989 1.00 12.86 ? 112 ASP A O   1 
ATOM   949  C  CB  . ASP A 1 112 ? 37.156 21.869  42.434 1.00 13.25 ? 112 ASP A CB  1 
ATOM   950  C  CG  . ASP A 1 112 ? 36.687 21.921  43.874 1.00 13.48 ? 112 ASP A CG  1 
ATOM   951  O  OD1 . ASP A 1 112 ? 36.061 22.910  44.252 1.00 14.94 ? 112 ASP A OD1 1 
ATOM   952  O  OD2 . ASP A 1 112 ? 36.979 20.960  44.594 1.00 17.12 ? 112 ASP A OD2 1 
ATOM   953  N  N   . LEU A 1 113 ? 37.030 22.015  39.265 1.00 11.48 ? 113 LEU A N   1 
ATOM   954  C  CA  . LEU A 1 113 ? 37.747 22.015  37.959 1.00 10.39 ? 113 LEU A CA  1 
ATOM   955  C  C   . LEU A 1 113 ? 37.277 23.207  37.107 1.00 12.59 ? 113 LEU A C   1 
ATOM   956  O  O   . LEU A 1 113 ? 38.079 23.812  36.441 1.00 12.73 ? 113 LEU A O   1 
ATOM   957  C  CB  . LEU A 1 113 ? 37.503 20.679  37.248 1.00 11.81 ? 113 LEU A CB  1 
ATOM   958  C  CG  . LEU A 1 113 ? 38.091 20.576  35.843 1.00 13.94 ? 113 LEU A CG  1 
ATOM   959  C  CD1 . LEU A 1 113 ? 39.592 20.814  35.862 1.00 16.16 ? 113 LEU A CD1 1 
ATOM   960  C  CD2 . LEU A 1 113 ? 37.768 19.225  35.226 1.00 14.14 ? 113 LEU A CD2 1 
ATOM   961  N  N   . HIS A 1 114 ? 35.993 23.530  37.219 1.00 11.65 ? 114 HIS A N   1 
ATOM   962  C  CA  . HIS A 1 114 ? 35.488 24.708  36.472 1.00 10.79 ? 114 HIS A CA  1 
ATOM   963  C  C   . HIS A 1 114 ? 36.195 25.967  36.982 1.00 11.88 ? 114 HIS A C   1 
ATOM   964  O  O   . HIS A 1 114 ? 36.532 26.811  36.182 1.00 13.21 ? 114 HIS A O   1 
ATOM   965  C  CB  . HIS A 1 114 ? 33.960 24.810  36.603 1.00 11.26 ? 114 HIS A CB  1 
ATOM   966  C  CG  . HIS A 1 114 ? 33.358 25.830  35.699 1.00 11.07 ? 114 HIS A CG  1 
ATOM   967  N  ND1 . HIS A 1 114 ? 33.420 27.179  35.964 1.00 13.48 ? 114 HIS A ND1 1 
ATOM   968  C  CD2 . HIS A 1 114 ? 32.702 25.704  34.529 1.00 11.24 ? 114 HIS A CD2 1 
ATOM   969  C  CE1 . HIS A 1 114 ? 32.821 27.837  34.998 1.00 11.00 ? 114 HIS A CE1 1 
ATOM   970  N  NE2 . HIS A 1 114 ? 32.375 26.960  34.111 1.00 13.28 ? 114 HIS A NE2 1 
ATOM   971  N  N   . ALA A 1 115 ? 36.334 26.060  38.298 1.00 12.93 ? 115 ALA A N   1 
ATOM   972  C  CA  . ALA A 1 115 ? 36.968 27.262  38.875 1.00 11.77 ? 115 ALA A CA  1 
ATOM   973  C  C   . ALA A 1 115 ? 38.433 27.343  38.426 1.00 11.41 ? 115 ALA A C   1 
ATOM   974  O  O   . ALA A 1 115 ? 38.907 28.445  38.175 1.00 13.95 ? 115 ALA A O   1 
ATOM   975  C  CB  . ALA A 1 115 ? 36.833 27.226  40.379 1.00 11.50 ? 115 ALA A CB  1 
ATOM   976  N  N   . LEU A 1 116 ? 39.090 26.190  38.339 1.00 12.29 ? 116 LEU A N   1 
ATOM   977  C  CA  . LEU A 1 116 ? 40.497 26.159  37.860 1.00 12.81 ? 116 LEU A CA  1 
ATOM   978  C  C   . LEU A 1 116 ? 40.529 26.618  36.404 1.00 13.70 ? 116 LEU A C   1 
ATOM   979  O  O   . LEU A 1 116 ? 41.387 27.401  36.055 1.00 14.34 ? 116 LEU A O   1 
ATOM   980  C  CB  . LEU A 1 116 ? 41.037 24.733  38.012 1.00 14.26 ? 116 LEU A CB  1 
ATOM   981  C  CG  . LEU A 1 116 ? 42.425 24.480  37.427 1.00 14.68 ? 116 LEU A CG  1 
ATOM   982  C  CD1 . LEU A 1 116 ? 43.469 25.349  38.113 1.00 17.34 ? 116 LEU A CD1 1 
ATOM   983  C  CD2 . LEU A 1 116 ? 42.797 23.012  37.545 1.00 16.12 ? 116 LEU A CD2 1 
ATOM   984  N  N   . GLY A 1 117 ? 39.613 26.090  35.600 1.00 13.20 ? 117 GLY A N   1 
ATOM   985  C  CA  . GLY A 1 117 ? 39.558 26.501  34.188 1.00 11.78 ? 117 GLY A CA  1 
ATOM   986  C  C   . GLY A 1 117 ? 39.331 27.997  34.034 1.00 13.17 ? 117 GLY A C   1 
ATOM   987  O  O   . GLY A 1 117 ? 39.919 28.598  33.162 1.00 13.91 ? 117 GLY A O   1 
ATOM   988  N  N   . SER A 1 118 ? 38.397 28.525  34.825 1.00 13.66 ? 118 SER A N   1 
ATOM   989  C  CA  . SER A 1 118 ? 38.129 29.984  34.791 1.00 11.79 ? 118 SER A CA  1 
ATOM   990  C  C   . SER A 1 118 ? 39.384 30.832  35.168 1.00 14.99 ? 118 SER A C   1 
ATOM   991  O  O   . SER A 1 118 ? 39.839 31.829  34.532 1.00 16.00 ? 118 SER A O   1 
ATOM   992  C  CB  . SER A 1 118 ? 36.959 30.308  35.676 1.00 16.76 ? 118 SER A CB  1 
ATOM   993  O  OG  . SER A 1 118 ? 36.677 31.697  35.644 1.00 18.23 ? 118 SER A OG  1 
ATOM   994  N  N   . ALA A 1 119 ? 40.016 30.338  36.219 1.00 12.50 ? 119 ALA A N   1 
ATOM   995  C  CA  . ALA A 1 119 ? 41.244 31.030  36.694 1.00 17.05 ? 119 ALA A CA  1 
ATOM   996  C  C   . ALA A 1 119 ? 42.341 30.980  35.634 1.00 17.90 ? 119 ALA A C   1 
ATOM   997  O  O   . ALA A 1 119 ? 43.139 31.911  35.560 1.00 20.26 ? 119 ALA A O   1 
ATOM   998  C  CB  . ALA A 1 119 ? 41.758 30.409  37.951 1.00 16.78 ? 119 ALA A CB  1 
ATOM   999  N  N   . GLN A 1 120 ? 42.393 29.872  34.913 1.00 14.31 ? 120 GLN A N   1 
ATOM   1000 C  CA  A GLN A 1 120 ? 43.410 29.721  33.838 0.56 15.38 ? 120 GLN A CA  1 
ATOM   1001 C  CA  B GLN A 1 120 ? 43.411 29.751  33.835 0.44 15.40 ? 120 GLN A CA  1 
ATOM   1002 C  C   . GLN A 1 120 ? 42.980 30.251  32.431 1.00 14.99 ? 120 GLN A C   1 
ATOM   1003 O  O   . GLN A 1 120 ? 43.670 30.097  31.377 1.00 18.06 ? 120 GLN A O   1 
ATOM   1004 C  CB  A GLN A 1 120 ? 43.806 28.252  33.709 0.56 15.47 ? 120 GLN A CB  1 
ATOM   1005 C  CB  B GLN A 1 120 ? 43.879 28.303  33.792 0.44 15.59 ? 120 GLN A CB  1 
ATOM   1006 C  CG  A GLN A 1 120 ? 44.426 27.667  34.968 0.56 17.68 ? 120 GLN A CG  1 
ATOM   1007 C  CG  B GLN A 1 120 ? 44.446 27.892  35.136 0.44 18.31 ? 120 GLN A CG  1 
ATOM   1008 C  CD  A GLN A 1 120 ? 45.916 27.487  34.825 0.56 21.97 ? 120 GLN A CD  1 
ATOM   1009 C  CD  B GLN A 1 120 ? 45.215 26.605  35.052 0.44 18.34 ? 120 GLN A CD  1 
ATOM   1010 O  OE1 A GLN A 1 120 ? 46.529 27.980  33.883 0.56 19.78 ? 120 GLN A OE1 1 
ATOM   1011 O  OE1 B GLN A 1 120 ? 44.699 25.598  34.586 0.44 23.25 ? 120 GLN A OE1 1 
ATOM   1012 N  NE2 A GLN A 1 120 ? 46.511 26.776  35.766 0.56 24.07 ? 120 GLN A NE2 1 
ATOM   1013 N  NE2 B GLN A 1 120 ? 46.454 26.636  35.514 0.44 23.93 ? 120 GLN A NE2 1 
ATOM   1014 N  N   . ALA A 1 121 ? 41.820 30.891  32.404 1.00 12.75 ? 121 ALA A N   1 
ATOM   1015 C  CA  . ALA A 1 121 ? 41.260 31.440  31.145 1.00 13.38 ? 121 ALA A CA  1 
ATOM   1016 C  C   . ALA A 1 121 ? 41.176 30.319  30.107 1.00 14.67 ? 121 ALA A C   1 
ATOM   1017 O  O   . ALA A 1 121 ? 41.666 30.499  29.008 1.00 12.22 ? 121 ALA A O   1 
ATOM   1018 C  CB  . ALA A 1 121 ? 42.061 32.620  30.651 1.00 16.66 ? 121 ALA A CB  1 
ATOM   1019 N  N   . ASP A 1 122 ? 40.556 29.210  30.505 1.00 11.84 ? 122 ASP A N   1 
ATOM   1020 C  CA  . ASP A 1 122 ? 40.344 28.042  29.608 1.00 11.62 ? 122 ASP A CA  1 
ATOM   1021 C  C   . ASP A 1 122 ? 38.839 27.879  29.373 1.00 10.97 ? 122 ASP A C   1 
ATOM   1022 O  O   . ASP A 1 122 ? 38.203 27.090  30.027 1.00 10.31 ? 122 ASP A O   1 
ATOM   1023 C  CB  . ASP A 1 122 ? 40.958 26.800  30.235 1.00 12.04 ? 122 ASP A CB  1 
ATOM   1024 C  CG  . ASP A 1 122 ? 41.038 25.597  29.317 1.00 10.29 ? 122 ASP A CG  1 
ATOM   1025 O  OD1 . ASP A 1 122 ? 40.339 25.590  28.294 1.00 10.96 ? 122 ASP A OD1 1 
ATOM   1026 O  OD2 . ASP A 1 122 ? 41.789 24.680  29.654 1.00 11.73 ? 122 ASP A OD2 1 
ATOM   1027 N  N   . PRO A 1 123 ? 38.262 28.662  28.447 1.00 10.22 ? 123 PRO A N   1 
ATOM   1028 C  CA  . PRO A 1 123 ? 36.829 28.624  28.250 1.00 9.98  ? 123 PRO A CA  1 
ATOM   1029 C  C   . PRO A 1 123 ? 36.326 27.336  27.589 1.00 11.05 ? 123 PRO A C   1 
ATOM   1030 O  O   . PRO A 1 123 ? 35.203 27.016  27.749 1.00 11.73 ? 123 PRO A O   1 
ATOM   1031 C  CB  . PRO A 1 123 ? 36.567 29.833  27.334 1.00 11.56 ? 123 PRO A CB  1 
ATOM   1032 C  CG  . PRO A 1 123 ? 37.863 30.065  26.603 1.00 12.81 ? 123 PRO A CG  1 
ATOM   1033 C  CD  . PRO A 1 123 ? 38.925 29.674  27.599 1.00 11.78 ? 123 PRO A CD  1 
ATOM   1034 N  N   . HIS A 1 124 ? 37.203 26.681  26.841 1.00 10.74 ? 124 HIS A N   1 
ATOM   1035 C  CA  . HIS A 1 124 ? 36.752 25.390  26.265 1.00 10.20 ? 124 HIS A CA  1 
ATOM   1036 C  C   . HIS A 1 124 ? 36.442 24.413  27.399 1.00 13.34 ? 124 HIS A C   1 
ATOM   1037 O  O   . HIS A 1 124 ? 35.421 23.750  27.329 1.00 11.55 ? 124 HIS A O   1 
ATOM   1038 C  CB  . HIS A 1 124 ? 37.759 24.789  25.282 1.00 9.82  ? 124 HIS A CB  1 
ATOM   1039 C  CG  . HIS A 1 124 ? 37.233 23.547  24.654 1.00 10.93 ? 124 HIS A CG  1 
ATOM   1040 N  ND1 . HIS A 1 124 ? 37.382 22.309  25.234 1.00 12.99 ? 124 HIS A ND1 1 
ATOM   1041 C  CD2 . HIS A 1 124 ? 36.518 23.356  23.529 1.00 13.39 ? 124 HIS A CD2 1 
ATOM   1042 C  CE1 . HIS A 1 124 ? 36.807 21.404  24.476 1.00 11.31 ? 124 HIS A CE1 1 
ATOM   1043 N  NE2 . HIS A 1 124 ? 36.266 22.019  23.430 1.00 13.16 ? 124 HIS A NE2 1 
ATOM   1044 N  N   . LEU A 1 125 ? 37.355 24.351  28.358 1.00 11.16 ? 125 LEU A N   1 
ATOM   1045 C  CA  A LEU A 1 125 ? 37.111 23.450  29.519 0.42 10.51 ? 125 LEU A CA  1 
ATOM   1046 C  CA  B LEU A 1 125 ? 37.132 23.465  29.534 0.58 10.50 ? 125 LEU A CA  1 
ATOM   1047 C  C   . LEU A 1 125 ? 35.835 23.831  30.307 1.00 10.23 ? 125 LEU A C   1 
ATOM   1048 O  O   . LEU A 1 125 ? 34.914 23.030  30.630 1.00 12.40 ? 125 LEU A O   1 
ATOM   1049 C  CB  A LEU A 1 125 ? 38.322 23.501  30.453 0.42 12.06 ? 125 LEU A CB  1 
ATOM   1050 C  CB  B LEU A 1 125 ? 38.370 23.566  30.432 0.58 12.03 ? 125 LEU A CB  1 
ATOM   1051 C  CG  A LEU A 1 125 ? 38.163 22.671  31.723 0.42 12.86 ? 125 LEU A CG  1 
ATOM   1052 C  CG  B LEU A 1 125 ? 38.472 22.627  31.634 0.58 12.75 ? 125 LEU A CG  1 
ATOM   1053 C  CD1 A LEU A 1 125 ? 38.351 21.194  31.430 0.42 12.19 ? 125 LEU A CD1 1 
ATOM   1054 C  CD1 B LEU A 1 125 ? 37.676 23.140  32.822 0.58 11.06 ? 125 LEU A CD1 1 
ATOM   1055 C  CD2 A LEU A 1 125 ? 39.113 23.135  32.806 0.42 11.28 ? 125 LEU A CD2 1 
ATOM   1056 C  CD2 B LEU A 1 125 ? 38.089 21.201  31.279 0.58 13.81 ? 125 LEU A CD2 1 
ATOM   1057 N  N   . CYS A 1 126 ? 35.717 25.140  30.541 1.00 11.33 ? 126 CYS A N   1 
ATOM   1058 C  CA  . CYS A 1 126 ? 34.536 25.614  31.299 1.00 11.07 ? 126 CYS A CA  1 
ATOM   1059 C  C   . CYS A 1 126 ? 33.253 25.233  30.556 1.00 14.42 ? 126 CYS A C   1 
ATOM   1060 O  O   . CYS A 1 126 ? 32.343 24.725  31.179 1.00 13.35 ? 126 CYS A O   1 
ATOM   1061 C  CB  . CYS A 1 126 ? 34.647 27.119  31.517 1.00 12.82 ? 126 CYS A CB  1 
ATOM   1062 S  SG  . CYS A 1 126 ? 35.965 27.543  32.698 1.00 13.90 ? 126 CYS A SG  1 
ATOM   1063 N  N   . ASP A 1 127 ? 33.215 25.520  29.267 1.00 12.26 ? 127 ASP A N   1 
ATOM   1064 C  CA  . ASP A 1 127 ? 32.005 25.199  28.467 1.00 12.81 ? 127 ASP A CA  1 
ATOM   1065 C  C   . ASP A 1 127 ? 31.762 23.685  28.438 1.00 15.62 ? 127 ASP A C   1 
ATOM   1066 O  O   . ASP A 1 127 ? 30.623 23.271  28.478 1.00 14.90 ? 127 ASP A O   1 
ATOM   1067 C  CB  . ASP A 1 127 ? 32.141 25.777  27.061 1.00 16.07 ? 127 ASP A CB  1 
ATOM   1068 C  CG  . ASP A 1 127 ? 31.137 25.221  26.063 1.00 21.49 ? 127 ASP A CG  1 
ATOM   1069 O  OD1 . ASP A 1 127 ? 30.041 25.759  25.997 1.00 23.63 ? 127 ASP A OD1 1 
ATOM   1070 O  OD2 . ASP A 1 127 ? 31.475 24.252  25.362 1.00 31.38 ? 127 ASP A OD2 1 
ATOM   1071 N  N   . PHE A 1 128 ? 32.833 22.933  28.309 1.00 12.30 ? 128 PHE A N   1 
ATOM   1072 C  CA  . PHE A 1 128 ? 32.694 21.461  28.255 1.00 11.28 ? 128 PHE A CA  1 
ATOM   1073 C  C   . PHE A 1 128 ? 31.955 20.965  29.507 1.00 12.21 ? 128 PHE A C   1 
ATOM   1074 O  O   . PHE A 1 128 ? 31.037 20.169  29.401 1.00 12.32 ? 128 PHE A O   1 
ATOM   1075 C  CB  . PHE A 1 128 ? 34.082 20.833  28.119 1.00 9.90  ? 128 PHE A CB  1 
ATOM   1076 C  CG  . PHE A 1 128 ? 34.084 19.336  28.249 1.00 13.12 ? 128 PHE A CG  1 
ATOM   1077 C  CD1 . PHE A 1 128 ? 33.739 18.535  27.177 1.00 15.65 ? 128 PHE A CD1 1 
ATOM   1078 C  CD2 . PHE A 1 128 ? 34.400 18.738  29.454 1.00 13.98 ? 128 PHE A CD2 1 
ATOM   1079 C  CE1 . PHE A 1 128 ? 33.726 17.157  27.305 1.00 16.23 ? 128 PHE A CE1 1 
ATOM   1080 C  CE2 . PHE A 1 128 ? 34.392 17.360  29.576 1.00 16.03 ? 128 PHE A CE2 1 
ATOM   1081 C  CZ  . PHE A 1 128 ? 34.052 16.576  28.503 1.00 15.38 ? 128 PHE A CZ  1 
ATOM   1082 N  N   . LEU A 1 129 ? 32.389 21.437  30.667 1.00 11.71 ? 129 LEU A N   1 
ATOM   1083 C  CA  . LEU A 1 129 ? 31.765 20.986  31.933 1.00 10.07 ? 129 LEU A CA  1 
ATOM   1084 C  C   . LEU A 1 129 ? 30.327 21.509  32.014 1.00 13.48 ? 129 LEU A C   1 
ATOM   1085 O  O   . LEU A 1 129 ? 29.455 20.778  32.412 1.00 13.71 ? 129 LEU A O   1 
ATOM   1086 C  CB  . LEU A 1 129 ? 32.604 21.494  33.109 1.00 12.94 ? 129 LEU A CB  1 
ATOM   1087 C  CG  . LEU A 1 129 ? 34.006 20.901  33.220 1.00 12.55 ? 129 LEU A CG  1 
ATOM   1088 C  CD1 . LEU A 1 129 ? 34.778 21.557  34.355 1.00 12.00 ? 129 LEU A CD1 1 
ATOM   1089 C  CD2 . LEU A 1 129 ? 33.947 19.394  33.419 1.00 11.90 ? 129 LEU A CD2 1 
ATOM   1090 N  N   . GLU A 1 130 ? 30.146 22.759  31.627 1.00 13.75 ? 130 GLU A N   1 
ATOM   1091 C  CA  . GLU A 1 130 ? 28.812 23.385  31.705 1.00 16.87 ? 130 GLU A CA  1 
ATOM   1092 C  C   . GLU A 1 130 ? 27.861 22.655  30.766 1.00 17.31 ? 130 GLU A C   1 
ATOM   1093 O  O   . GLU A 1 130 ? 26.734 22.400  31.169 1.00 21.59 ? 130 GLU A O   1 
ATOM   1094 C  CB  . GLU A 1 130 ? 28.928 24.837  31.239 1.00 15.43 ? 130 GLU A CB  1 
ATOM   1095 C  CG  . GLU A 1 130 ? 29.592 25.774  32.227 1.00 15.72 ? 130 GLU A CG  1 
ATOM   1096 C  CD  . GLU A 1 130 ? 29.995 27.096  31.596 1.00 24.95 ? 130 GLU A CD  1 
ATOM   1097 O  OE1 . GLU A 1 130 ? 29.445 27.423  30.539 1.00 26.10 ? 130 GLU A OE1 1 
ATOM   1098 O  OE2 . GLU A 1 130 ? 30.858 27.779  32.153 1.00 19.42 ? 130 GLU A OE2 1 
ATOM   1099 N  N   . SER A 1 131 ? 28.330 22.319  29.569 1.00 14.59 ? 131 SER A N   1 
ATOM   1100 C  CA  . SER A 1 131 ? 27.447 21.709  28.545 1.00 17.20 ? 131 SER A CA  1 
ATOM   1101 C  C   . SER A 1 131 ? 27.181 20.227  28.785 1.00 19.61 ? 131 SER A C   1 
ATOM   1102 O  O   . SER A 1 131 ? 26.090 19.773  28.439 1.00 20.76 ? 131 SER A O   1 
ATOM   1103 C  CB  . SER A 1 131 ? 28.057 21.901  27.184 1.00 22.56 ? 131 SER A CB  1 
ATOM   1104 O  OG  . SER A 1 131 ? 28.043 23.273  26.831 1.00 30.75 ? 131 SER A OG  1 
ATOM   1105 N  N   . HIS A 1 132 ? 28.136 19.509  29.353 1.00 14.24 ? 132 HIS A N   1 
ATOM   1106 C  CA  . HIS A 1 132 ? 27.946 18.042  29.449 1.00 14.98 ? 132 HIS A CA  1 
ATOM   1107 C  C   . HIS A 1 132 ? 27.882 17.506  30.884 1.00 14.15 ? 132 HIS A C   1 
ATOM   1108 O  O   . HIS A 1 132 ? 27.580 16.333  31.011 1.00 18.50 ? 132 HIS A O   1 
ATOM   1109 C  CB  . HIS A 1 132 ? 29.035 17.315  28.650 1.00 19.73 ? 132 HIS A CB  1 
ATOM   1110 C  CG  . HIS A 1 132 ? 29.159 17.831  27.257 1.00 23.14 ? 132 HIS A CG  1 
ATOM   1111 N  ND1 . HIS A 1 132 ? 28.103 17.801  26.371 1.00 32.25 ? 132 HIS A ND1 1 
ATOM   1112 C  CD2 . HIS A 1 132 ? 30.191 18.398  26.601 1.00 23.43 ? 132 HIS A CD2 1 
ATOM   1113 C  CE1 . HIS A 1 132 ? 28.484 18.323  25.223 1.00 31.18 ? 132 HIS A CE1 1 
ATOM   1114 N  NE2 . HIS A 1 132 ? 29.759 18.698  25.340 1.00 32.16 ? 132 HIS A NE2 1 
ATOM   1115 N  N   . PHE A 1 133 ? 28.158 18.311  31.898 1.00 12.04 ? 133 PHE A N   1 
ATOM   1116 C  CA  . PHE A 1 133 ? 28.219 17.723  33.258 1.00 11.05 ? 133 PHE A CA  1 
ATOM   1117 C  C   . PHE A 1 133 ? 27.433 18.491  34.332 1.00 12.68 ? 133 PHE A C   1 
ATOM   1118 O  O   . PHE A 1 133 ? 26.759 17.864  35.105 1.00 12.96 ? 133 PHE A O   1 
ATOM   1119 C  CB  . PHE A 1 133 ? 29.681 17.642  33.717 1.00 12.21 ? 133 PHE A CB  1 
ATOM   1120 C  CG  . PHE A 1 133 ? 30.471 16.559  33.032 1.00 13.18 ? 133 PHE A CG  1 
ATOM   1121 C  CD1 . PHE A 1 133 ? 31.028 16.769  31.784 1.00 15.28 ? 133 PHE A CD1 1 
ATOM   1122 C  CD2 . PHE A 1 133 ? 30.630 15.320  33.626 1.00 15.01 ? 133 PHE A CD2 1 
ATOM   1123 C  CE1 . PHE A 1 133 ? 31.732 15.760  31.149 1.00 16.83 ? 133 PHE A CE1 1 
ATOM   1124 C  CE2 . PHE A 1 133 ? 31.343 14.317  32.994 1.00 17.97 ? 133 PHE A CE2 1 
ATOM   1125 C  CZ  . PHE A 1 133 ? 31.888 14.537  31.756 1.00 14.62 ? 133 PHE A CZ  1 
ATOM   1126 N  N   . LEU A 1 134 ? 27.549 19.819  34.354 1.00 12.64 ? 134 LEU A N   1 
ATOM   1127 C  CA  . LEU A 1 134 ? 26.972 20.572  35.506 1.00 9.99  ? 134 LEU A CA  1 
ATOM   1128 C  C   . LEU A 1 134 ? 25.448 20.383  35.626 1.00 10.18 ? 134 LEU A C   1 
ATOM   1129 O  O   . LEU A 1 134 ? 24.999 20.153  36.731 1.00 11.55 ? 134 LEU A O   1 
ATOM   1130 C  CB  . LEU A 1 134 ? 27.345 22.058  35.389 1.00 11.64 ? 134 LEU A CB  1 
ATOM   1131 C  CG  . LEU A 1 134 ? 28.833 22.392  35.445 1.00 14.01 ? 134 LEU A CG  1 
ATOM   1132 C  CD1 . LEU A 1 134 ? 29.019 23.892  35.604 1.00 15.78 ? 134 LEU A CD1 1 
ATOM   1133 C  CD2 . LEU A 1 134 ? 29.523 21.655  36.579 1.00 14.50 ? 134 LEU A CD2 1 
ATOM   1134 N  N   . ASP A 1 135 ? 24.718 20.535  34.526 1.00 12.65 ? 135 ASP A N   1 
ATOM   1135 C  CA  . ASP A 1 135 ? 23.242 20.418  34.618 1.00 12.33 ? 135 ASP A CA  1 
ATOM   1136 C  C   . ASP A 1 135 ? 22.833 18.943  34.776 1.00 13.21 ? 135 ASP A C   1 
ATOM   1137 O  O   . ASP A 1 135 ? 21.889 18.670  35.490 1.00 14.25 ? 135 ASP A O   1 
ATOM   1138 C  CB  . ASP A 1 135 ? 22.562 21.012  33.390 1.00 16.60 ? 135 ASP A CB  1 
ATOM   1139 C  CG  . ASP A 1 135 ? 21.062 21.117  33.566 1.00 18.78 ? 135 ASP A CG  1 
ATOM   1140 O  OD1 . ASP A 1 135 ? 20.636 21.685  34.576 1.00 17.76 ? 135 ASP A OD1 1 
ATOM   1141 O  OD2 . ASP A 1 135 ? 20.346 20.599  32.704 1.00 24.99 ? 135 ASP A OD2 1 
ATOM   1142 N  N   . GLU A 1 136 ? 23.510 18.068  34.035 1.00 13.42 ? 136 GLU A N   1 
ATOM   1143 C  CA  A GLU A 1 136 ? 23.237 16.625  34.286 0.53 14.38 ? 136 GLU A CA  1 
ATOM   1144 C  CA  B GLU A 1 136 ? 23.237 16.623  34.282 0.47 14.39 ? 136 GLU A CA  1 
ATOM   1145 C  C   . GLU A 1 136 ? 23.361 16.189  35.789 1.00 12.52 ? 136 GLU A C   1 
ATOM   1146 O  O   . GLU A 1 136 ? 22.598 15.466  36.523 1.00 13.87 ? 136 GLU A O   1 
ATOM   1147 C  CB  A GLU A 1 136 ? 24.186 15.772  33.447 0.53 17.77 ? 136 GLU A CB  1 
ATOM   1148 C  CB  B GLU A 1 136 ? 24.185 15.769  33.441 0.47 17.78 ? 136 GLU A CB  1 
ATOM   1149 C  CG  A GLU A 1 136 ? 24.156 16.127  31.965 0.53 21.22 ? 136 GLU A CG  1 
ATOM   1150 C  CG  B GLU A 1 136 ? 23.996 15.944  31.937 0.47 21.34 ? 136 GLU A CG  1 
ATOM   1151 C  CD  A GLU A 1 136 ? 23.842 14.927  31.096 0.53 30.91 ? 136 GLU A CD  1 
ATOM   1152 C  CD  B GLU A 1 136 ? 24.684 14.855  31.134 0.47 27.36 ? 136 GLU A CD  1 
ATOM   1153 O  OE1 A GLU A 1 136 ? 22.717 14.398  31.221 0.53 28.47 ? 136 GLU A OE1 1 
ATOM   1154 O  OE1 B GLU A 1 136 ? 25.206 13.918  31.766 0.47 28.27 ? 136 GLU A OE1 1 
ATOM   1155 O  OE2 A GLU A 1 136 ? 24.719 14.524  30.304 0.53 37.55 ? 136 GLU A OE2 1 
ATOM   1156 O  OE2 B GLU A 1 136 ? 24.708 14.939  29.889 0.47 34.99 ? 136 GLU A OE2 1 
ATOM   1157 N  N   . GLU A 1 137 ? 24.397 16.811  36.362 1.00 11.09 ? 137 GLU A N   1 
ATOM   1158 C  CA  . GLU A 1 137 ? 24.642 16.513  37.787 1.00 10.05 ? 137 GLU A CA  1 
ATOM   1159 C  C   . GLU A 1 137 ? 23.561 17.143  38.674 1.00 10.16 ? 137 GLU A C   1 
ATOM   1160 O  O   . GLU A 1 137 ? 23.071 16.485  39.568 1.00 12.53 ? 137 GLU A O   1 
ATOM   1161 C  CB  . GLU A 1 137 ? 26.034 17.010  38.180 1.00 12.37 ? 137 GLU A CB  1 
ATOM   1162 C  CG  . GLU A 1 137 ? 26.483 16.550  39.543 1.00 12.03 ? 137 GLU A CG  1 
ATOM   1163 C  CD  . GLU A 1 137 ? 26.527 15.042  39.692 1.00 10.24 ? 137 GLU A CD  1 
ATOM   1164 O  OE1 . GLU A 1 137 ? 26.817 14.351  38.709 1.00 13.12 ? 137 GLU A OE1 1 
ATOM   1165 O  OE2 . GLU A 1 137 ? 26.268 14.584  40.790 1.00 14.27 ? 137 GLU A OE2 1 
ATOM   1166 N  N   . VAL A 1 138 ? 23.230 18.397  38.403 1.00 10.24 ? 138 VAL A N   1 
ATOM   1167 C  CA  . VAL A 1 138 ? 22.141 19.023  39.201 1.00 10.15 ? 138 VAL A CA  1 
ATOM   1168 C  C   . VAL A 1 138 ? 20.833 18.226  39.051 1.00 11.39 ? 138 VAL A C   1 
ATOM   1169 O  O   . VAL A 1 138 ? 20.147 18.027  40.030 1.00 11.96 ? 138 VAL A O   1 
ATOM   1170 C  CB  . VAL A 1 138 ? 21.977 20.503  38.794 1.00 9.36  ? 138 VAL A CB  1 
ATOM   1171 C  CG1 . VAL A 1 138 ? 20.589 21.043  39.112 1.00 13.00 ? 138 VAL A CG1 1 
ATOM   1172 C  CG2 . VAL A 1 138 ? 23.040 21.378  39.438 1.00 11.16 ? 138 VAL A CG2 1 
ATOM   1173 N  N   . LYS A 1 139 ? 20.525 17.822  37.834 1.00 10.57 ? 139 LYS A N   1 
ATOM   1174 C  CA  . LYS A 1 139 ? 19.274 17.053  37.609 1.00 12.04 ? 139 LYS A CA  1 
ATOM   1175 C  C   . LYS A 1 139 ? 19.312 15.714  38.364 1.00 13.64 ? 139 LYS A C   1 
ATOM   1176 O  O   . LYS A 1 139 ? 18.311 15.324  38.932 1.00 13.33 ? 139 LYS A O   1 
ATOM   1177 C  CB  . LYS A 1 139 ? 19.043 16.858  36.111 1.00 13.56 ? 139 LYS A CB  1 
ATOM   1178 C  CG  . LYS A 1 139 ? 18.471 18.092  35.429 1.00 18.20 ? 139 LYS A CG  1 
ATOM   1179 C  CD  . LYS A 1 139 ? 18.578 18.084  33.933 1.00 27.70 ? 139 LYS A CD  1 
ATOM   1180 C  CE  . LYS A 1 139 ? 17.652 19.094  33.285 1.00 37.10 ? 139 LYS A CE  1 
ATOM   1181 N  NZ  . LYS A 1 139 ? 17.729 20.435  33.913 1.00 33.48 ? 139 LYS A NZ  1 
ATOM   1182 N  N   . LEU A 1 140 ? 20.470 15.072  38.353 1.00 13.96 ? 140 LEU A N   1 
ATOM   1183 C  CA  . LEU A 1 140 ? 20.561 13.747  39.028 1.00 13.00 ? 140 LEU A CA  1 
ATOM   1184 C  C   . LEU A 1 140 ? 20.402 13.920  40.544 1.00 13.05 ? 140 LEU A C   1 
ATOM   1185 O  O   . LEU A 1 140 ? 19.720 13.109  41.163 1.00 14.47 ? 140 LEU A O   1 
ATOM   1186 C  CB  . LEU A 1 140 ? 21.889 13.074  38.656 1.00 12.76 ? 140 LEU A CB  1 
ATOM   1187 C  CG  . LEU A 1 140 ? 22.178 11.752  39.360 1.00 12.60 ? 140 LEU A CG  1 
ATOM   1188 C  CD1 . LEU A 1 140 ? 21.087 10.738  39.061 1.00 13.86 ? 140 LEU A CD1 1 
ATOM   1189 C  CD2 . LEU A 1 140 ? 23.533 11.217  38.928 1.00 15.53 ? 140 LEU A CD2 1 
ATOM   1190 N  N   . ILE A 1 141 ? 21.024 14.963  41.097 1.00 10.69 ? 141 ILE A N   1 
ATOM   1191 C  CA  . ILE A 1 141 ? 20.941 15.174  42.562 1.00 11.04 ? 141 ILE A CA  1 
ATOM   1192 C  C   . ILE A 1 141 ? 19.491 15.538  42.938 1.00 11.29 ? 141 ILE A C   1 
ATOM   1193 O  O   . ILE A 1 141 ? 19.029 15.103  43.985 1.00 13.23 ? 141 ILE A O   1 
ATOM   1194 C  CB  . ILE A 1 141 ? 21.984 16.214  43.027 1.00 11.91 ? 141 ILE A CB  1 
ATOM   1195 C  CG1 . ILE A 1 141 ? 23.402 15.654  42.867 1.00 12.40 ? 141 ILE A CG1 1 
ATOM   1196 C  CG2 . ILE A 1 141 ? 21.718 16.676  44.448 1.00 15.27 ? 141 ILE A CG2 1 
ATOM   1197 C  CD1 . ILE A 1 141 ? 24.513 16.657  43.075 1.00 14.42 ? 141 ILE A CD1 1 
ATOM   1198 N  N   . LYS A 1 142 ? 18.833 16.302  42.072 1.00 10.93 ? 142 LYS A N   1 
ATOM   1199 C  CA  . LYS A 1 142 ? 17.424 16.653  42.369 1.00 11.42 ? 142 LYS A CA  1 
ATOM   1200 C  C   . LYS A 1 142 ? 16.576 15.374  42.417 1.00 10.89 ? 142 LYS A C   1 
ATOM   1201 O  O   . LYS A 1 142 ? 15.772 15.232  43.296 1.00 12.61 ? 142 LYS A O   1 
ATOM   1202 C  CB  . LYS A 1 142 ? 16.908 17.643  41.323 1.00 10.20 ? 142 LYS A CB  1 
ATOM   1203 C  CG  . LYS A 1 142 ? 15.418 17.949  41.410 1.00 10.20 ? 142 LYS A CG  1 
ATOM   1204 C  CD  . LYS A 1 142 ? 14.999 18.498  42.750 1.00 9.66  ? 142 LYS A CD  1 
ATOM   1205 C  CE  . LYS A 1 142 ? 13.656 19.197  42.704 1.00 11.49 ? 142 LYS A CE  1 
ATOM   1206 N  NZ  . LYS A 1 142 ? 12.543 18.246  42.467 1.00 11.96 ? 142 LYS A NZ  1 
ATOM   1207 N  N   . LYS A 1 143 ? 16.806 14.493  41.468 1.00 13.39 ? 143 LYS A N   1 
ATOM   1208 C  CA  . LYS A 1 143 ? 16.046 13.215  41.415 1.00 12.11 ? 143 LYS A CA  1 
ATOM   1209 C  C   . LYS A 1 143 ? 16.316 12.377  42.675 1.00 12.31 ? 143 LYS A C   1 
ATOM   1210 O  O   . LYS A 1 143 ? 15.389 11.814  43.226 1.00 12.52 ? 143 LYS A O   1 
ATOM   1211 C  CB  . LYS A 1 143 ? 16.444 12.469  40.146 1.00 14.04 ? 143 LYS A CB  1 
ATOM   1212 C  CG  . LYS A 1 143 ? 15.845 11.083  39.993 1.00 19.66 ? 143 LYS A CG  1 
ATOM   1213 C  CD  . LYS A 1 143 ? 14.340 11.117  40.002 1.00 27.35 ? 143 LYS A CD  1 
ATOM   1214 C  CE  . LYS A 1 143 ? 13.747 11.771  38.775 1.00 32.28 ? 143 LYS A CE  1 
ATOM   1215 N  NZ  . LYS A 1 143 ? 12.267 11.731  38.819 1.00 32.97 ? 143 LYS A NZ  1 
ATOM   1216 N  N   . MET A 1 144 ? 17.572 12.312  43.083 1.00 13.80 ? 144 MET A N   1 
ATOM   1217 C  CA  . MET A 1 144 ? 17.907 11.515  44.285 1.00 12.82 ? 144 MET A CA  1 
ATOM   1218 C  C   . MET A 1 144 ? 17.282 12.147  45.532 1.00 11.72 ? 144 MET A C   1 
ATOM   1219 O  O   . MET A 1 144 ? 16.895 11.428  46.412 1.00 13.91 ? 144 MET A O   1 
ATOM   1220 C  CB  . MET A 1 144 ? 19.428 11.411  44.460 1.00 13.11 ? 144 MET A CB  1 
ATOM   1221 C  CG  . MET A 1 144 ? 20.092 10.557  43.420 1.00 12.43 ? 144 MET A CG  1 
ATOM   1222 S  SD  . MET A 1 144 ? 21.869 10.518  43.719 1.00 14.61 ? 144 MET A SD  1 
ATOM   1223 C  CE  . MET A 1 144 ? 22.341 9.218   42.581 1.00 13.57 ? 144 MET A CE  1 
ATOM   1224 N  N   . GLY A 1 145 ? 17.280 13.473  45.579 1.00 11.79 ? 145 GLY A N   1 
ATOM   1225 C  CA  . GLY A 1 145 ? 16.643 14.145  46.711 1.00 11.81 ? 145 GLY A CA  1 
ATOM   1226 C  C   . GLY A 1 145 ? 15.147 13.852  46.740 1.00 11.39 ? 145 GLY A C   1 
ATOM   1227 O  O   . GLY A 1 145 ? 14.622 13.648  47.814 1.00 11.01 ? 145 GLY A O   1 
ATOM   1228 N  N   . ASP A 1 146 ? 14.532 13.878  45.561 1.00 11.95 ? 146 ASP A N   1 
ATOM   1229 C  CA  . ASP A 1 146 ? 13.090 13.551  45.470 1.00 12.33 ? 146 ASP A CA  1 
ATOM   1230 C  C   . ASP A 1 146 ? 12.898 12.121  45.977 1.00 11.62 ? 146 ASP A C   1 
ATOM   1231 O  O   . ASP A 1 146 ? 11.963 11.865  46.704 1.00 11.29 ? 146 ASP A O   1 
ATOM   1232 C  CB  . ASP A 1 146 ? 12.597 13.658  44.032 1.00 12.47 ? 146 ASP A CB  1 
ATOM   1233 C  CG  . ASP A 1 146 ? 12.608 15.050  43.424 1.00 12.50 ? 146 ASP A CG  1 
ATOM   1234 O  OD1 . ASP A 1 146 ? 12.722 16.023  44.172 1.00 11.75 ? 146 ASP A OD1 1 
ATOM   1235 O  OD2 . ASP A 1 146 ? 12.485 15.136  42.199 1.00 17.16 ? 146 ASP A OD2 1 
ATOM   1236 N  N   . HIS A 1 147 ? 13.772 11.230  45.531 1.00 11.79 ? 147 HIS A N   1 
ATOM   1237 C  CA  . HIS A 1 147 ? 13.615 9.812   45.941 1.00 11.35 ? 147 HIS A CA  1 
ATOM   1238 C  C   . HIS A 1 147 ? 13.783 9.710   47.453 1.00 14.57 ? 147 HIS A C   1 
ATOM   1239 O  O   . HIS A 1 147 ? 13.005 9.019   48.097 1.00 12.28 ? 147 HIS A O   1 
ATOM   1240 C  CB  . HIS A 1 147 ? 14.645 8.917   45.230 1.00 12.31 ? 147 HIS A CB  1 
ATOM   1241 C  CG  . HIS A 1 147 ? 14.353 8.635   43.798 1.00 14.08 ? 147 HIS A CG  1 
ATOM   1242 N  ND1 . HIS A 1 147 ? 13.111 8.832   43.243 1.00 12.99 ? 147 HIS A ND1 1 
ATOM   1243 C  CD2 . HIS A 1 147 ? 15.139 8.152   42.814 1.00 12.12 ? 147 HIS A CD2 1 
ATOM   1244 C  CE1 . HIS A 1 147 ? 13.143 8.488   41.976 1.00 13.53 ? 147 HIS A CE1 1 
ATOM   1245 N  NE2 . HIS A 1 147 ? 14.378 8.069   41.687 1.00 14.72 ? 147 HIS A NE2 1 
ATOM   1246 N  N   . LEU A 1 148 ? 14.824 10.372  47.964 1.00 11.96 ? 148 LEU A N   1 
ATOM   1247 C  CA  A LEU A 1 148 ? 15.105 10.309  49.434 0.46 10.83 ? 148 LEU A CA  1 
ATOM   1248 C  CA  B LEU A 1 148 ? 15.102 10.308  49.428 0.54 10.81 ? 148 LEU A CA  1 
ATOM   1249 C  C   . LEU A 1 148 ? 13.848 10.715  50.244 1.00 12.20 ? 148 LEU A C   1 
ATOM   1250 O  O   . LEU A 1 148 ? 13.383 10.137  51.264 1.00 13.44 ? 148 LEU A O   1 
ATOM   1251 C  CB  A LEU A 1 148 ? 16.284 11.229  49.795 0.46 15.44 ? 148 LEU A CB  1 
ATOM   1252 C  CB  B LEU A 1 148 ? 16.285 11.228  49.767 0.54 15.46 ? 148 LEU A CB  1 
ATOM   1253 C  CG  A LEU A 1 148 ? 17.668 10.588  49.768 0.46 14.48 ? 148 LEU A CG  1 
ATOM   1254 C  CG  B LEU A 1 148 ? 17.107 10.824  50.985 0.54 18.42 ? 148 LEU A CG  1 
ATOM   1255 C  CD1 A LEU A 1 148 ? 18.743 11.618  50.078 0.46 13.95 ? 148 LEU A CD1 1 
ATOM   1256 C  CD1 B LEU A 1 148 ? 17.827 9.512   50.726 0.54 18.62 ? 148 LEU A CD1 1 
ATOM   1257 C  CD2 A LEU A 1 148 ? 17.745 9.435   50.752 0.46 18.62 ? 148 LEU A CD2 1 
ATOM   1258 C  CD2 B LEU A 1 148 ? 18.106 11.915  51.330 0.54 17.81 ? 148 LEU A CD2 1 
ATOM   1259 N  N   . THR A 1 149 ? 13.239 11.794  49.744 1.00 11.51 ? 149 THR A N   1 
ATOM   1260 C  CA  . THR A 1 149 ? 12.056 12.343  50.450 1.00 13.12 ? 149 THR A CA  1 
ATOM   1261 C  C   . THR A 1 149 ? 10.916 11.309  50.438 1.00 10.72 ? 149 THR A C   1 
ATOM   1262 O  O   . THR A 1 149 ? 10.245 11.137  51.440 1.00 13.29 ? 149 THR A O   1 
ATOM   1263 C  CB  . THR A 1 149 ? 11.643 13.703  49.860 1.00 12.09 ? 149 THR A CB  1 
ATOM   1264 O  OG1 . THR A 1 149 ? 12.642 14.670  50.175 1.00 12.33 ? 149 THR A OG1 1 
ATOM   1265 C  CG2 . THR A 1 149 ? 10.297 14.180  50.358 1.00 12.23 ? 149 THR A CG2 1 
ATOM   1266 N  N   . ASN A 1 150 ? 10.725 10.683  49.296 1.00 12.68 ? 150 ASN A N   1 
ATOM   1267 C  CA  . ASN A 1 150 ? 9.639  9.677   49.190 1.00 10.24 ? 150 ASN A CA  1 
ATOM   1268 C  C   . ASN A 1 150 ? 9.970  8.437   50.039 1.00 11.25 ? 150 ASN A C   1 
ATOM   1269 O  O   . ASN A 1 150 ? 9.093  7.930   50.701 1.00 12.08 ? 150 ASN A O   1 
ATOM   1270 C  CB  . ASN A 1 150 ? 9.363  9.320   47.732 1.00 10.55 ? 150 ASN A CB  1 
ATOM   1271 C  CG  . ASN A 1 150 ? 8.458  10.353  47.103 1.00 11.49 ? 150 ASN A CG  1 
ATOM   1272 O  OD1 . ASN A 1 150 ? 7.257  10.337  47.331 1.00 11.86 ? 150 ASN A OD1 1 
ATOM   1273 N  ND2 . ASN A 1 150 ? 9.040  11.288  46.373 1.00 12.40 ? 150 ASN A ND2 1 
ATOM   1274 N  N   . ILE A 1 151 ? 11.218 7.986   49.983 1.00 12.43 ? 151 ILE A N   1 
ATOM   1275 C  CA  . ILE A 1 151 ? 11.613 6.841   50.851 1.00 11.60 ? 151 ILE A CA  1 
ATOM   1276 C  C   . ILE A 1 151 ? 11.364 7.195   52.321 1.00 12.17 ? 151 ILE A C   1 
ATOM   1277 O  O   . ILE A 1 151 ? 10.835 6.368   53.036 1.00 13.48 ? 151 ILE A O   1 
ATOM   1278 C  CB  . ILE A 1 151 ? 13.089 6.484   50.561 1.00 10.75 ? 151 ILE A CB  1 
ATOM   1279 C  CG1 . ILE A 1 151 ? 13.280 5.954   49.139 1.00 11.98 ? 151 ILE A CG1 1 
ATOM   1280 C  CG2 . ILE A 1 151 ? 13.618 5.513   51.602 1.00 14.39 ? 151 ILE A CG2 1 
ATOM   1281 C  CD1 . ILE A 1 151 ? 14.704 6.040   48.648 1.00 15.93 ? 151 ILE A CD1 1 
ATOM   1282 N  N   . GLN A 1 152 ? 11.769 8.393   52.727 1.00 12.83 ? 152 GLN A N   1 
ATOM   1283 C  CA  . GLN A 1 152 ? 11.629 8.820   54.144 1.00 13.91 ? 152 GLN A CA  1 
ATOM   1284 C  C   . GLN A 1 152 ? 10.146 8.867   54.541 1.00 17.57 ? 152 GLN A C   1 
ATOM   1285 O  O   . GLN A 1 152 ? 9.804  8.470   55.644 1.00 19.26 ? 152 GLN A O   1 
ATOM   1286 C  CB  . GLN A 1 152 ? 12.307 10.181  54.337 1.00 18.54 ? 152 GLN A CB  1 
ATOM   1287 C  CG  . GLN A 1 152 ? 13.825 10.152  54.203 1.00 22.29 ? 152 GLN A CG  1 
ATOM   1288 C  CD  . GLN A 1 152 ? 14.457 11.511  53.995 1.00 27.26 ? 152 GLN A CD  1 
ATOM   1289 O  OE1 . GLN A 1 152 ? 13.911 12.385  53.328 1.00 28.82 ? 152 GLN A OE1 1 
ATOM   1290 N  NE2 . GLN A 1 152 ? 15.637 11.695  54.559 1.00 25.77 ? 152 GLN A NE2 1 
ATOM   1291 N  N   . ARG A 1 153 ? 9.316  9.409   53.656 1.00 14.66 ? 153 ARG A N   1 
ATOM   1292 C  CA  . ARG A 1 153 ? 7.860  9.499   53.941 1.00 15.83 ? 153 ARG A CA  1 
ATOM   1293 C  C   . ARG A 1 153 ? 7.269  8.101   54.149 1.00 18.28 ? 153 ARG A C   1 
ATOM   1294 O  O   . ARG A 1 153 ? 6.325  7.978   54.915 1.00 18.03 ? 153 ARG A O   1 
ATOM   1295 C  CB  . ARG A 1 153 ? 7.171  10.170  52.749 1.00 18.58 ? 153 ARG A CB  1 
ATOM   1296 C  CG  . ARG A 1 153 ? 5.762  10.701  52.934 1.00 16.39 ? 153 ARG A CG  1 
ATOM   1297 C  CD  . ARG A 1 153 ? 5.200  11.174  51.604 1.00 19.05 ? 153 ARG A CD  1 
ATOM   1298 N  NE  . ARG A 1 153 ? 5.914  12.321  51.039 1.00 18.02 ? 153 ARG A NE  1 
ATOM   1299 C  CZ  . ARG A 1 153 ? 5.835  13.573  51.456 1.00 17.76 ? 153 ARG A CZ  1 
ATOM   1300 N  NH1 . ARG A 1 153 ? 5.236  13.871  52.596 1.00 23.08 ? 153 ARG A NH1 1 
ATOM   1301 N  NH2 . ARG A 1 153 ? 6.363  14.528  50.730 1.00 17.72 ? 153 ARG A NH2 1 
ATOM   1302 N  N   . LEU A 1 154 ? 7.849  7.100   53.500 1.00 17.11 ? 154 LEU A N   1 
ATOM   1303 C  CA  . LEU A 1 154 ? 7.330  5.704   53.558 1.00 15.49 ? 154 LEU A CA  1 
ATOM   1304 C  C   . LEU A 1 154 ? 7.907  4.906   54.738 1.00 24.18 ? 154 LEU A C   1 
ATOM   1305 O  O   . LEU A 1 154 ? 7.467  3.779   54.926 1.00 23.99 ? 154 LEU A O   1 
ATOM   1306 C  CB  . LEU A 1 154 ? 7.653  5.030   52.225 1.00 16.86 ? 154 LEU A CB  1 
ATOM   1307 C  CG  . LEU A 1 154 ? 6.746  5.397   51.056 1.00 11.72 ? 154 LEU A CG  1 
ATOM   1308 C  CD1 . LEU A 1 154 ? 7.370  4.975   49.735 1.00 14.39 ? 154 LEU A CD1 1 
ATOM   1309 C  CD2 . LEU A 1 154 ? 5.375  4.763   51.228 1.00 19.42 ? 154 LEU A CD2 1 
ATOM   1310 N  N   . VAL A 1 155 ? 8.808  5.484   55.503 1.00 22.16 ? 155 VAL A N   1 
ATOM   1311 C  CA  . VAL A 1 155 ? 9.380  4.776   56.677 1.00 31.12 ? 155 VAL A CA  1 
ATOM   1312 C  C   . VAL A 1 155 ? 8.511  5.014   57.903 1.00 40.59 ? 155 VAL A C   1 
ATOM   1313 O  O   . VAL A 1 155 ? 8.302  6.173   58.266 1.00 42.92 ? 155 VAL A O   1 
ATOM   1314 C  CB  . VAL A 1 155 ? 10.791 5.267   57.006 1.00 32.90 ? 155 VAL A CB  1 
ATOM   1315 C  CG1 . VAL A 1 155 ? 11.328 4.560   58.240 1.00 38.08 ? 155 VAL A CG1 1 
ATOM   1316 C  CG2 . VAL A 1 155 ? 11.745 5.103   55.836 1.00 27.62 ? 155 VAL A CG2 1 
ATOM   1317 N  N   . GLY A 1 156 ? 8.054  3.937   58.533 1.00 50.20 ? 156 GLY A N   1 
ATOM   1318 C  CA  . GLY A 1 156 ? 7.365  4.129   59.814 1.00 48.11 ? 156 GLY A CA  1 
ATOM   1319 C  C   . GLY A 1 156 ? 7.396  2.796   60.487 1.00 63.03 ? 156 GLY A C   1 
ATOM   1320 O  O   . GLY A 1 156 ? 8.370  2.042   60.284 1.00 55.95 ? 156 GLY A O   1 
ATOM   1321 N  N   . SER A 1 157 ? 6.388  2.544   61.282 1.00 65.80 ? 157 SER A N   1 
ATOM   1322 C  CA  . SER A 1 157 ? 6.188  1.197   61.868 1.00 63.07 ? 157 SER A CA  1 
ATOM   1323 C  C   . SER A 1 157 ? 6.369  0.179   60.751 1.00 60.55 ? 157 SER A C   1 
ATOM   1324 O  O   . SER A 1 157 ? 6.922  -0.886  61.043 1.00 63.67 ? 157 SER A O   1 
ATOM   1325 N  N   . GLN A 1 158 ? 6.043  0.554   59.503 1.00 51.50 ? 158 GLN A N   1 
ATOM   1326 C  CA  . GLN A 1 158 ? 6.039  -0.447  58.404 1.00 43.56 ? 158 GLN A CA  1 
ATOM   1327 C  C   . GLN A 1 158 ? 7.141  -0.163  57.373 1.00 30.43 ? 158 GLN A C   1 
ATOM   1328 O  O   . GLN A 1 158 ? 6.803  0.185   56.237 1.00 25.69 ? 158 GLN A O   1 
ATOM   1329 C  CB  . GLN A 1 158 ? 4.641  -0.431  57.788 1.00 41.65 ? 158 GLN A CB  1 
ATOM   1330 C  CG  . GLN A 1 158 ? 3.516  -0.461  58.811 1.00 46.40 ? 158 GLN A CG  1 
ATOM   1331 C  CD  . GLN A 1 158 ? 2.202  -0.891  58.203 1.00 43.52 ? 158 GLN A CD  1 
ATOM   1332 N  N   . ALA A 1 159 ? 8.393  -0.374  57.754 1.00 29.59 ? 159 ALA A N   1 
ATOM   1333 C  CA  . ALA A 1 159 ? 9.515  -0.012  56.867 1.00 25.62 ? 159 ALA A CA  1 
ATOM   1334 C  C   . ALA A 1 159 ? 9.582  -0.936  55.645 1.00 16.82 ? 159 ALA A C   1 
ATOM   1335 O  O   . ALA A 1 159 ? 9.891  -0.459  54.574 1.00 17.23 ? 159 ALA A O   1 
ATOM   1336 C  CB  . ALA A 1 159 ? 10.788 -0.069  57.663 1.00 25.12 ? 159 ALA A CB  1 
ATOM   1337 N  N   . GLY A 1 160 ? 9.303  -2.224  55.853 1.00 19.83 ? 160 GLY A N   1 
ATOM   1338 C  CA  . GLY A 1 160 ? 9.409  -3.165  54.728 1.00 16.82 ? 160 GLY A CA  1 
ATOM   1339 C  C   . GLY A 1 160 ? 8.357  -2.884  53.677 1.00 14.47 ? 160 GLY A C   1 
ATOM   1340 O  O   . GLY A 1 160 ? 8.656  -2.933  52.508 1.00 14.43 ? 160 GLY A O   1 
ATOM   1341 N  N   . LEU A 1 161 ? 7.156  -2.600  54.159 1.00 14.51 ? 161 LEU A N   1 
ATOM   1342 C  CA  . LEU A 1 161 ? 6.051  -2.264  53.240 1.00 13.23 ? 161 LEU A CA  1 
ATOM   1343 C  C   . LEU A 1 161 ? 6.430  -1.019  52.422 1.00 12.28 ? 161 LEU A C   1 
ATOM   1344 O  O   . LEU A 1 161 ? 6.269  -1.043  51.217 1.00 13.94 ? 161 LEU A O   1 
ATOM   1345 C  CB  . LEU A 1 161 ? 4.809  -2.023  54.099 1.00 17.11 ? 161 LEU A CB  1 
ATOM   1346 C  CG  . LEU A 1 161 ? 3.624  -1.354  53.412 1.00 16.47 ? 161 LEU A CG  1 
ATOM   1347 C  CD1 . LEU A 1 161 ? 2.978  -2.310  52.427 1.00 20.29 ? 161 LEU A CD1 1 
ATOM   1348 C  CD2 . LEU A 1 161 ? 2.611  -0.894  54.448 1.00 19.34 ? 161 LEU A CD2 1 
ATOM   1349 N  N   . GLY A 1 162 ? 6.924  0.005   53.104 1.00 14.28 ? 162 GLY A N   1 
ATOM   1350 C  CA  . GLY A 1 162 ? 7.339  1.226   52.387 1.00 12.41 ? 162 GLY A CA  1 
ATOM   1351 C  C   . GLY A 1 162 ? 8.450  0.974   51.378 1.00 11.78 ? 162 GLY A C   1 
ATOM   1352 O  O   . GLY A 1 162 ? 8.414  1.553   50.315 1.00 14.44 ? 162 GLY A O   1 
ATOM   1353 N  N   . GLU A 1 163 ? 9.400  0.130   51.753 1.00 12.14 ? 163 GLU A N   1 
ATOM   1354 C  CA  . GLU A 1 163 ? 10.559 -0.136  50.861 1.00 12.05 ? 163 GLU A CA  1 
ATOM   1355 C  C   . GLU A 1 163 ? 10.073 -0.877  49.616 1.00 10.96 ? 163 GLU A C   1 
ATOM   1356 O  O   . GLU A 1 163 ? 10.489 -0.544  48.521 1.00 12.32 ? 163 GLU A O   1 
ATOM   1357 C  CB  . GLU A 1 163 ? 11.654 -0.884  51.637 1.00 18.20 ? 163 GLU A CB  1 
ATOM   1358 C  CG  . GLU A 1 163 ? 12.971 -0.926  50.901 1.00 17.50 ? 163 GLU A CG  1 
ATOM   1359 C  CD  . GLU A 1 163 ? 14.171 -1.307  51.743 1.00 16.47 ? 163 GLU A CD  1 
ATOM   1360 O  OE1 . GLU A 1 163 ? 13.980 -1.720  52.896 1.00 23.02 ? 163 GLU A OE1 1 
ATOM   1361 O  OE2 . GLU A 1 163 ? 15.278 -1.217  51.228 1.00 15.47 ? 163 GLU A OE2 1 
ATOM   1362 N  N   . TYR A 1 164 ? 9.189  -1.836  49.824 1.00 10.47 ? 164 TYR A N   1 
ATOM   1363 C  CA  . TYR A 1 164 ? 8.591  -2.548  48.675 1.00 10.43 ? 164 TYR A CA  1 
ATOM   1364 C  C   . TYR A 1 164 ? 7.814  -1.583  47.766 1.00 8.92  ? 164 TYR A C   1 
ATOM   1365 O  O   . TYR A 1 164 ? 7.971  -1.621  46.583 1.00 10.86 ? 164 TYR A O   1 
ATOM   1366 C  CB  . TYR A 1 164 ? 7.647  -3.627  49.222 1.00 11.49 ? 164 TYR A CB  1 
ATOM   1367 C  CG  . TYR A 1 164 ? 6.891  -4.394  48.169 1.00 11.51 ? 164 TYR A CG  1 
ATOM   1368 C  CD1 . TYR A 1 164 ? 7.519  -5.364  47.409 1.00 11.22 ? 164 TYR A CD1 1 
ATOM   1369 C  CD2 . TYR A 1 164 ? 5.550  -4.153  47.932 1.00 12.22 ? 164 TYR A CD2 1 
ATOM   1370 C  CE1 . TYR A 1 164 ? 6.836  -6.070  46.437 1.00 10.94 ? 164 TYR A CE1 1 
ATOM   1371 C  CE2 . TYR A 1 164 ? 4.851  -4.856  46.968 1.00 12.18 ? 164 TYR A CE2 1 
ATOM   1372 C  CZ  . TYR A 1 164 ? 5.495  -5.822  46.220 1.00 12.29 ? 164 TYR A CZ  1 
ATOM   1373 O  OH  . TYR A 1 164 ? 4.826  -6.520  45.263 1.00 11.93 ? 164 TYR A OH  1 
ATOM   1374 N  N   . LEU A 1 165 ? 6.942  -0.780  48.369 1.00 10.98 ? 165 LEU A N   1 
ATOM   1375 C  CA  . LEU A 1 165 ? 6.067  0.117   47.568 1.00 10.43 ? 165 LEU A CA  1 
ATOM   1376 C  C   . LEU A 1 165 ? 6.872  1.154   46.772 1.00 8.82  ? 165 LEU A C   1 
ATOM   1377 O  O   . LEU A 1 165 ? 6.515  1.420   45.655 1.00 11.58 ? 165 LEU A O   1 
ATOM   1378 C  CB  . LEU A 1 165 ? 5.074  0.819   48.504 1.00 11.69 ? 165 LEU A CB  1 
ATOM   1379 C  CG  . LEU A 1 165 ? 3.914  -0.045  48.997 1.00 14.04 ? 165 LEU A CG  1 
ATOM   1380 C  CD1 . LEU A 1 165 ? 3.115  0.690   50.061 1.00 15.97 ? 165 LEU A CD1 1 
ATOM   1381 C  CD2 . LEU A 1 165 ? 3.015  -0.457  47.843 1.00 14.39 ? 165 LEU A CD2 1 
ATOM   1382 N  N   . PHE A 1 166 ? 7.922  1.682   47.394 1.00 12.92 ? 166 PHE A N   1 
ATOM   1383 C  CA  . PHE A 1 166 ? 8.776  2.638   46.655 1.00 11.66 ? 166 PHE A CA  1 
ATOM   1384 C  C   . PHE A 1 166 ? 9.384  1.968   45.427 1.00 10.48 ? 166 PHE A C   1 
ATOM   1385 O  O   . PHE A 1 166 ? 9.404  2.532   44.355 1.00 10.31 ? 166 PHE A O   1 
ATOM   1386 C  CB  . PHE A 1 166 ? 9.882  3.221   47.538 1.00 11.20 ? 166 PHE A CB  1 
ATOM   1387 C  CG  . PHE A 1 166 ? 10.736 4.227   46.817 1.00 12.05 ? 166 PHE A CG  1 
ATOM   1388 C  CD1 . PHE A 1 166 ? 10.255 5.499   46.563 1.00 13.20 ? 166 PHE A CD1 1 
ATOM   1389 C  CD2 . PHE A 1 166 ? 11.996 3.892   46.359 1.00 13.58 ? 166 PHE A CD2 1 
ATOM   1390 C  CE1 . PHE A 1 166 ? 11.030 6.422   45.884 1.00 14.21 ? 166 PHE A CE1 1 
ATOM   1391 C  CE2 . PHE A 1 166 ? 12.766 4.819   45.680 1.00 14.55 ? 166 PHE A CE2 1 
ATOM   1392 C  CZ  . PHE A 1 166 ? 12.280 6.080   45.441 1.00 16.08 ? 166 PHE A CZ  1 
ATOM   1393 N  N   . GLU A 1 167 ? 9.917  0.770   45.645 1.00 10.02 ? 167 GLU A N   1 
ATOM   1394 C  CA  . GLU A 1 167 ? 10.573 0.045   44.532 1.00 10.71 ? 167 GLU A CA  1 
ATOM   1395 C  C   . GLU A 1 167 ? 9.569  -0.298  43.424 1.00 9.97  ? 167 GLU A C   1 
ATOM   1396 O  O   . GLU A 1 167 ? 9.902  -0.178  42.265 1.00 11.94 ? 167 GLU A O   1 
ATOM   1397 C  CB  . GLU A 1 167 ? 11.279 -1.200  45.090 1.00 10.95 ? 167 GLU A CB  1 
ATOM   1398 C  CG  . GLU A 1 167 ? 11.974 -2.019  44.018 1.00 10.64 ? 167 GLU A CG  1 
ATOM   1399 C  CD  . GLU A 1 167 ? 11.094 -3.063  43.354 1.00 11.80 ? 167 GLU A CD  1 
ATOM   1400 O  OE1 . GLU A 1 167 ? 10.119 -3.487  43.983 1.00 12.05 ? 167 GLU A OE1 1 
ATOM   1401 O  OE2 . GLU A 1 167 ? 11.382 -3.425  42.210 1.00 12.65 ? 167 GLU A OE2 1 
ATOM   1402 N  N   . ARG A 1 168 ? 8.363  -0.673  43.830 1.00 10.93 ? 168 ARG A N   1 
ATOM   1403 C  CA  . ARG A 1 168 ? 7.344  -1.057  42.836 1.00 11.12 ? 168 ARG A CA  1 
ATOM   1404 C  C   . ARG A 1 168 ? 6.679  0.138   42.141 1.00 10.09 ? 168 ARG A C   1 
ATOM   1405 O  O   . ARG A 1 168 ? 6.387  0.024   40.973 1.00 12.90 ? 168 ARG A O   1 
ATOM   1406 C  CB  . ARG A 1 168 ? 6.185  -1.759  43.553 1.00 11.41 ? 168 ARG A CB  1 
ATOM   1407 C  CG  . ARG A 1 168 ? 6.498  -3.154  44.073 1.00 11.29 ? 168 ARG A CG  1 
ATOM   1408 C  CD  . ARG A 1 168 ? 6.548  -4.169  42.950 1.00 10.58 ? 168 ARG A CD  1 
ATOM   1409 N  NE  . ARG A 1 168 ? 7.899  -4.316  42.436 1.00 10.61 ? 168 ARG A NE  1 
ATOM   1410 C  CZ  . ARG A 1 168 ? 8.226  -5.081  41.408 1.00 12.83 ? 168 ARG A CZ  1 
ATOM   1411 N  NH1 . ARG A 1 168 ? 7.298  -5.774  40.774 1.00 15.16 ? 168 ARG A NH1 1 
ATOM   1412 N  NH2 . ARG A 1 168 ? 9.485  -5.150  41.016 1.00 14.68 ? 168 ARG A NH2 1 
ATOM   1413 N  N   . LEU A 1 169 ? 6.446  1.240   42.868 1.00 11.11 ? 169 LEU A N   1 
ATOM   1414 C  CA  . LEU A 1 169 ? 5.614  2.331   42.284 1.00 11.50 ? 169 LEU A CA  1 
ATOM   1415 C  C   . LEU A 1 169 ? 6.407  3.562   41.829 1.00 13.61 ? 169 LEU A C   1 
ATOM   1416 O  O   . LEU A 1 169 ? 5.865  4.321   41.061 1.00 13.60 ? 169 LEU A O   1 
ATOM   1417 C  CB  . LEU A 1 169 ? 4.564  2.756   43.312 1.00 11.06 ? 169 LEU A CB  1 
ATOM   1418 C  CG  . LEU A 1 169 ? 3.608  1.642   43.741 1.00 11.73 ? 169 LEU A CG  1 
ATOM   1419 C  CD1 . LEU A 1 169 ? 2.564  2.167   44.713 1.00 15.15 ? 169 LEU A CD1 1 
ATOM   1420 C  CD2 . LEU A 1 169 ? 2.942  1.009   42.532 1.00 14.25 ? 169 LEU A CD2 1 
ATOM   1421 N  N   . THR A 1 170 ? 7.636  3.712   42.309 1.00 12.77 ? 170 THR A N   1 
ATOM   1422 C  CA  . THR A 1 170 ? 8.455  4.842   41.816 1.00 13.40 ? 170 THR A CA  1 
ATOM   1423 C  C   . THR A 1 170 ? 9.550  4.363   40.863 1.00 12.85 ? 170 THR A C   1 
ATOM   1424 O  O   . THR A 1 170 ? 9.699  4.930   39.811 1.00 15.93 ? 170 THR A O   1 
ATOM   1425 C  CB  . THR A 1 170 ? 9.070  5.602   42.993 1.00 11.06 ? 170 THR A CB  1 
ATOM   1426 O  OG1 . THR A 1 170 ? 8.013  6.243   43.698 1.00 14.15 ? 170 THR A OG1 1 
ATOM   1427 C  CG2 . THR A 1 170 ? 10.094 6.623   42.545 1.00 12.62 ? 170 THR A CG2 1 
ATOM   1428 N  N   . LEU A 1 171 ? 10.221 3.286   41.242 1.00 13.80 ? 171 LEU A N   1 
ATOM   1429 C  CA  . LEU A 1 171 ? 11.388 2.902   40.412 1.00 16.49 ? 171 LEU A CA  1 
ATOM   1430 C  C   . LEU A 1 171 ? 10.991 2.024   39.222 1.00 20.88 ? 171 LEU A C   1 
ATOM   1431 O  O   . LEU A 1 171 ? 10.012 1.315   39.294 1.00 21.28 ? 171 LEU A O   1 
ATOM   1432 C  CB  . LEU A 1 171 ? 12.487 2.280   41.286 1.00 14.35 ? 171 LEU A CB  1 
ATOM   1433 C  CG  . LEU A 1 171 ? 13.041 3.188   42.384 1.00 15.40 ? 171 LEU A CG  1 
ATOM   1434 C  CD1 . LEU A 1 171 ? 14.088 2.459   43.208 1.00 16.23 ? 171 LEU A CD1 1 
ATOM   1435 C  CD2 . LEU A 1 171 ? 13.626 4.467   41.807 1.00 17.24 ? 171 LEU A CD2 1 
ATOM   1436 N  N   . LYS A 1 172 ? 11.761 2.151   38.148 1.00 25.80 ? 172 LYS A N   1 
ATOM   1437 C  CA  . LYS A 1 172 ? 11.422 1.429   36.896 1.00 31.74 ? 172 LYS A CA  1 
ATOM   1438 C  C   . LYS A 1 172 ? 11.863 -0.027  37.026 1.00 40.55 ? 172 LYS A C   1 
ATOM   1439 O  O   . LYS A 1 172 ? 13.003 -0.267  37.451 1.00 29.56 ? 172 LYS A O   1 
ATOM   1440 C  CB  . LYS A 1 172 ? 12.078 2.129   35.699 1.00 33.37 ? 172 LYS A CB  1 
ATOM   1441 N  N   . HIS A 1 173 ? 10.975 -0.944  36.667 1.00 39.31 ? 173 HIS A N   1 
ATOM   1442 C  CA  . HIS A 1 173 ? 11.285 -2.387  36.773 1.00 39.31 ? 173 HIS A CA  1 
ATOM   1443 C  C   . HIS A 1 173 ? 10.510 -3.111  35.676 1.00 44.59 ? 173 HIS A C   1 
ATOM   1444 O  O   . HIS A 1 173 ? 9.706  -2.458  34.999 1.00 49.24 ? 173 HIS A O   1 
ATOM   1445 C  CB  . HIS A 1 173 ? 10.955 -2.909  38.174 1.00 31.49 ? 173 HIS A CB  1 
ATOM   1446 C  CG  . HIS A 1 173 ? 9.554  -2.654  38.607 1.00 32.74 ? 173 HIS A CG  1 
ATOM   1447 N  ND1 . HIS A 1 173 ? 8.506  -3.431  38.176 1.00 29.50 ? 173 HIS A ND1 1 
ATOM   1448 C  CD2 . HIS A 1 173 ? 9.029  -1.727  39.435 1.00 23.75 ? 173 HIS A CD2 1 
ATOM   1449 C  CE1 . HIS A 1 173 ? 7.389  -2.992  38.709 1.00 29.43 ? 173 HIS A CE1 1 
ATOM   1450 N  NE2 . HIS A 1 173 ? 7.682  -1.951  39.487 1.00 29.65 ? 173 HIS A NE2 1 
ATOM   1451 N  N   . ASP A 1 174 ? 10.736 -4.416  35.539 1.00 48.47 ? 174 ASP A N   1 
ATOM   1452 C  CA  . ASP A 1 174 ? 10.014 -5.198  34.505 1.00 46.34 ? 174 ASP A CA  1 
ATOM   1453 C  C   . ASP A 1 174 ? 10.933 -6.296  33.961 1.00 53.66 ? 174 ASP A C   1 
ATOM   1454 O  O   . ASP A 1 174 ? 11.789 -6.760  34.738 1.00 58.45 ? 174 ASP A O   1 
HETATM 1455 CD CD  . CD  B 2 .   ? 18.595 -7.177  39.345 0.35 17.52 ? 201 CD  A CD  1 
HETATM 1456 CD CD  . CD  C 2 .   ? 48.784 0.025   41.872 0.47 22.65 ? 202 CD  A CD  1 
HETATM 1457 CD CD  . CD  D 2 .   ? 27.000 27.015  27.028 0.11 24.61 ? 203 CD  A CD  1 
HETATM 1458 CD CD  . CD  E 2 .   ? 29.339 29.368  29.388 0.07 21.13 ? 204 CD  A CD  1 
HETATM 1459 CD CD  . CD  F 2 .   ? 30.939 29.362  29.890 0.26 20.54 ? 205 CD  A CD  1 
HETATM 1460 CD CD  . CD  G 2 .   ? 30.989 19.936  23.547 0.23 33.33 ? 206 CD  A CD  1 
HETATM 1461 S  S   . SO4 H 3 .   ? 49.643 28.124  24.524 1.00 25.99 ? 207 SO4 A S   1 
HETATM 1462 O  O1  . SO4 H 3 .   ? 50.877 28.250  25.241 1.00 34.26 ? 207 SO4 A O1  1 
HETATM 1463 O  O2  . SO4 H 3 .   ? 49.841 28.526  23.166 1.00 30.84 ? 207 SO4 A O2  1 
HETATM 1464 O  O3  . SO4 H 3 .   ? 49.218 26.764  24.571 1.00 27.26 ? 207 SO4 A O3  1 
HETATM 1465 O  O4  . SO4 H 3 .   ? 48.660 28.958  25.133 1.00 30.58 ? 207 SO4 A O4  1 
HETATM 1466 S  S   . SO4 I 3 .   ? 30.763 -3.008  54.917 0.48 30.00 ? 208 SO4 A S   1 
HETATM 1467 O  O1  . SO4 I 3 .   ? 31.954 -2.990  54.117 0.48 18.53 ? 208 SO4 A O1  1 
HETATM 1468 O  O2  . SO4 I 3 .   ? 29.624 -3.161  54.080 0.48 11.33 ? 208 SO4 A O2  1 
HETATM 1469 O  O3  . SO4 I 3 .   ? 30.834 -4.099  55.842 0.48 30.79 ? 208 SO4 A O3  1 
HETATM 1470 O  O4  . SO4 I 3 .   ? 30.665 -1.776  55.647 0.48 32.46 ? 208 SO4 A O4  1 
HETATM 1471 CL CL  . CL  J 4 .   ? 50.384 1.644   41.067 1.00 52.07 ? 209 CL  A CL  1 
HETATM 1472 C  C1  . EDO K 5 .   ? 18.048 -4.750  52.395 1.00 22.26 ? 210 EDO A C1  1 
HETATM 1473 O  O1  . EDO K 5 .   ? 17.320 -5.896  52.769 1.00 26.57 ? 210 EDO A O1  1 
HETATM 1474 C  C2  . EDO K 5 .   ? 17.167 -3.629  52.011 1.00 18.60 ? 210 EDO A C2  1 
HETATM 1475 O  O2  . EDO K 5 .   ? 16.413 -3.159  53.103 1.00 19.79 ? 210 EDO A O2  1 
HETATM 1476 C  C1  . EDO L 5 .   ? 27.255 14.091  35.235 1.00 18.18 ? 211 EDO A C1  1 
HETATM 1477 O  O1  . EDO L 5 .   ? 27.983 14.281  36.415 1.00 17.63 ? 211 EDO A O1  1 
HETATM 1478 C  C2  . EDO L 5 .   ? 26.095 13.203  35.456 1.00 23.15 ? 211 EDO A C2  1 
HETATM 1479 O  O2  . EDO L 5 .   ? 26.456 11.922  35.934 1.00 21.81 ? 211 EDO A O2  1 
HETATM 1480 C  C1  . EDO M 5 .   ? 28.345 13.080  31.526 1.00 28.64 ? 212 EDO A C1  1 
HETATM 1481 O  O1  . EDO M 5 .   ? 27.199 12.268  31.508 1.00 32.00 ? 212 EDO A O1  1 
HETATM 1482 C  C2  . EDO M 5 .   ? 28.776 13.462  30.165 1.00 29.78 ? 212 EDO A C2  1 
HETATM 1483 O  O2  . EDO M 5 .   ? 27.779 14.144  29.440 1.00 30.04 ? 212 EDO A O2  1 
HETATM 1484 C  C1  . EDO N 5 .   ? 14.293 2.392   54.090 1.00 24.23 ? 213 EDO A C1  1 
HETATM 1485 O  O1  . EDO N 5 .   ? 14.627 1.954   52.794 1.00 16.91 ? 213 EDO A O1  1 
HETATM 1486 C  C2  . EDO N 5 .   ? 13.309 1.528   54.774 1.00 25.12 ? 213 EDO A C2  1 
HETATM 1487 O  O2  . EDO N 5 .   ? 13.779 0.214   54.958 1.00 30.93 ? 213 EDO A O2  1 
HETATM 1488 O  O   . HOH O 6 .   ? 49.347 15.902  22.226 1.00 22.54 ? 301 HOH A O   1 
HETATM 1489 O  O   . HOH O 6 .   ? 49.723 15.485  15.650 1.00 17.95 ? 302 HOH A O   1 
HETATM 1490 O  O   . HOH O 6 .   ? 29.524 -6.025  55.168 1.00 39.87 ? 303 HOH A O   1 
HETATM 1491 O  O   . HOH O 6 .   ? 35.486 18.505  23.593 1.00 34.52 ? 304 HOH A O   1 
HETATM 1492 O  O   . HOH O 6 .   ? 16.305 -7.207  36.147 1.00 42.36 ? 305 HOH A O   1 
HETATM 1493 O  O   . HOH O 6 .   ? 27.763 26.012  25.104 1.00 29.63 ? 306 HOH A O   1 
HETATM 1494 O  O   . HOH O 6 .   ? 31.516 -2.819  47.223 1.00 13.63 ? 307 HOH A O   1 
HETATM 1495 O  O   . HOH O 6 .   ? 29.620 4.743   52.496 1.00 33.40 ? 308 HOH A O   1 
HETATM 1496 O  O   . HOH O 6 .   ? 38.650 18.616  43.559 0.74 21.88 ? 309 HOH A O   1 
HETATM 1497 O  O   . HOH O 6 .   ? 45.693 19.974  39.002 1.00 21.87 ? 310 HOH A O   1 
HETATM 1498 O  O   . HOH O 6 .   ? 20.395 0.112   57.950 1.00 32.00 ? 311 HOH A O   1 
HETATM 1499 O  O   . HOH O 6 .   ? 33.695 23.004  25.111 1.00 18.92 ? 312 HOH A O   1 
HETATM 1500 O  O   . HOH O 6 .   ? 50.929 15.677  28.558 1.00 25.69 ? 313 HOH A O   1 
HETATM 1501 O  O   . HOH O 6 .   ? 8.237  8.747   44.224 1.00 19.33 ? 314 HOH A O   1 
HETATM 1502 O  O   . HOH O 6 .   ? 33.035 25.516  23.755 1.00 28.28 ? 315 HOH A O   1 
HETATM 1503 O  O   . HOH O 6 .   ? 7.174  12.504  48.799 1.00 30.00 ? 316 HOH A O   1 
HETATM 1504 O  O   . HOH O 6 .   ? 45.580 14.037  21.548 1.00 12.81 ? 317 HOH A O   1 
HETATM 1505 O  O   . HOH O 6 .   ? 45.021 23.917  19.022 1.00 24.01 ? 318 HOH A O   1 
HETATM 1506 O  O   . HOH O 6 .   ? 30.047 5.257   49.015 1.00 29.22 ? 319 HOH A O   1 
HETATM 1507 O  O   . HOH O 6 .   ? 30.188 21.228  48.569 1.00 21.32 ? 320 HOH A O   1 
HETATM 1508 O  O   . HOH O 6 .   ? 51.042 16.133  19.561 1.00 28.26 ? 321 HOH A O   1 
HETATM 1509 O  O   . HOH O 6 .   ? 11.114 13.314  40.899 1.00 27.97 ? 322 HOH A O   1 
HETATM 1510 O  O   . HOH O 6 .   ? 39.730 16.600  39.724 1.00 19.51 ? 323 HOH A O   1 
HETATM 1511 O  O   . HOH O 6 .   ? 18.843 -7.862  53.651 1.00 35.40 ? 324 HOH A O   1 
HETATM 1512 O  O   . HOH O 6 .   ? 49.966 15.010  25.558 0.51 17.15 ? 325 HOH A O   1 
HETATM 1513 O  O   . HOH O 6 .   ? 3.650  12.581  54.282 1.00 34.26 ? 326 HOH A O   1 
HETATM 1514 O  O   . HOH O 6 .   ? 44.879 31.260  29.228 1.00 28.13 ? 327 HOH A O   1 
HETATM 1515 O  O   . HOH O 6 .   ? 47.127 2.208   45.167 0.90 27.26 ? 328 HOH A O   1 
HETATM 1516 O  O   . HOH O 6 .   ? 50.648 17.127  25.677 1.00 27.44 ? 329 HOH A O   1 
HETATM 1517 O  O   . HOH O 6 .   ? 44.271 22.183  23.315 1.00 11.58 ? 330 HOH A O   1 
HETATM 1518 O  O   . HOH O 6 .   ? 38.186 30.672  39.437 1.00 23.73 ? 331 HOH A O   1 
HETATM 1519 O  O   . HOH O 6 .   ? 46.403 30.008  24.189 1.00 20.71 ? 332 HOH A O   1 
HETATM 1520 O  O   . HOH O 6 .   ? 24.522 2.479   52.167 1.00 25.76 ? 333 HOH A O   1 
HETATM 1521 O  O   . HOH O 6 .   ? 32.391 -5.369  47.804 1.00 12.80 ? 334 HOH A O   1 
HETATM 1522 O  O   . HOH O 6 .   ? 34.968 16.383  45.785 1.00 25.91 ? 335 HOH A O   1 
HETATM 1523 O  O   . HOH O 6 .   ? 42.265 18.012  41.086 1.00 35.30 ? 336 HOH A O   1 
HETATM 1524 O  O   . HOH O 6 .   ? 35.635 -5.668  49.594 1.00 21.43 ? 337 HOH A O   1 
HETATM 1525 O  O   . HOH O 6 .   ? 5.257  2.250   55.456 1.00 31.97 ? 338 HOH A O   1 
HETATM 1526 O  O   . HOH O 6 .   ? 37.142 15.104  18.269 1.00 29.77 ? 339 HOH A O   1 
HETATM 1527 O  O   . HOH O 6 .   ? 8.265  -5.442  35.899 1.00 41.72 ? 340 HOH A O   1 
HETATM 1528 O  O   . HOH O 6 .   ? 44.037 25.299  31.016 1.00 12.91 ? 341 HOH A O   1 
HETATM 1529 O  O   . HOH O 6 .   ? 36.299 25.587  43.989 1.00 32.84 ? 342 HOH A O   1 
HETATM 1530 O  O   . HOH O 6 .   ? 16.552 -10.647 53.742 1.00 36.13 ? 343 HOH A O   1 
HETATM 1531 O  O   . HOH O 6 .   ? 21.319 -12.500 39.630 1.00 14.85 ? 344 HOH A O   1 
HETATM 1532 O  O   . HOH O 6 .   ? 42.418 20.461  19.478 1.00 11.65 ? 345 HOH A O   1 
HETATM 1533 O  O   . HOH O 6 .   ? 35.828 -4.742  52.828 1.00 30.61 ? 346 HOH A O   1 
HETATM 1534 O  O   . HOH O 6 .   ? 32.171 4.111   47.368 1.00 16.69 ? 347 HOH A O   1 
HETATM 1535 O  O   . HOH O 6 .   ? 10.318 -6.083  44.750 1.00 13.06 ? 348 HOH A O   1 
HETATM 1536 O  O   . HOH O 6 .   ? 46.109 10.362  26.097 1.00 15.93 ? 349 HOH A O   1 
HETATM 1537 O  O   . HOH O 6 .   ? 50.545 22.764  19.935 1.00 25.99 ? 350 HOH A O   1 
HETATM 1538 O  O   . HOH O 6 .   ? 24.140 5.816   53.984 1.00 19.70 ? 351 HOH A O   1 
HETATM 1539 O  O   . HOH O 6 .   ? 36.811 -6.623  42.045 1.00 16.58 ? 352 HOH A O   1 
HETATM 1540 O  O   . HOH O 6 .   ? 40.375 5.614   43.162 0.63 19.53 ? 353 HOH A O   1 
HETATM 1541 O  O   . HOH O 6 .   ? 17.140 2.785   56.866 1.00 21.34 ? 354 HOH A O   1 
HETATM 1542 O  O   . HOH O 6 .   ? 26.653 21.362  38.853 1.00 12.38 ? 355 HOH A O   1 
HETATM 1543 O  O   . HOH O 6 .   ? 39.688 25.024  41.885 1.00 24.80 ? 356 HOH A O   1 
HETATM 1544 O  O   . HOH O 6 .   ? 27.641 -5.729  45.639 1.00 16.22 ? 357 HOH A O   1 
HETATM 1545 O  O   . HOH O 6 .   ? 40.237 27.142  26.041 1.00 11.63 ? 358 HOH A O   1 
HETATM 1546 O  O   . HOH O 6 .   ? 20.646 -13.182 54.544 1.00 26.89 ? 359 HOH A O   1 
HETATM 1547 O  O   . HOH O 6 .   ? 20.607 -9.641  37.242 1.00 37.72 ? 360 HOH A O   1 
HETATM 1548 O  O   . HOH O 6 .   ? 42.368 8.735   35.320 1.00 14.76 ? 361 HOH A O   1 
HETATM 1549 O  O   . HOH O 6 .   ? 29.788 -6.105  47.614 1.00 13.34 ? 362 HOH A O   1 
HETATM 1550 O  O   . HOH O 6 .   ? 51.770 17.519  31.468 1.00 37.70 ? 363 HOH A O   1 
HETATM 1551 O  O   . HOH O 6 .   ? 13.020 15.431  52.794 1.00 28.58 ? 364 HOH A O   1 
HETATM 1552 O  O   . HOH O 6 .   ? 11.123 -7.782  40.431 1.00 28.09 ? 365 HOH A O   1 
HETATM 1553 O  O   . HOH O 6 .   ? 15.722 15.889  38.179 1.00 20.71 ? 366 HOH A O   1 
HETATM 1554 O  O   . HOH O 6 .   ? 48.792 24.604  26.228 1.00 17.66 ? 367 HOH A O   1 
HETATM 1555 O  O   . HOH O 6 .   ? 28.031 10.880  33.776 1.00 20.89 ? 368 HOH A O   1 
HETATM 1556 O  O   . HOH O 6 .   ? 47.597 4.200   41.219 1.00 26.09 ? 369 HOH A O   1 
HETATM 1557 O  O   . HOH O 6 .   ? 12.806 0.847   47.965 1.00 16.74 ? 370 HOH A O   1 
HETATM 1558 O  O   . HOH O 6 .   ? 29.685 14.552  49.702 1.00 17.23 ? 371 HOH A O   1 
HETATM 1559 O  O   . HOH O 6 .   ? 46.115 13.647  38.165 1.00 26.90 ? 372 HOH A O   1 
HETATM 1560 O  O   . HOH O 6 .   ? 16.963 -4.073  55.653 1.00 29.60 ? 373 HOH A O   1 
HETATM 1561 O  O   . HOH O 6 .   ? 48.141 30.014  27.638 1.00 42.05 ? 374 HOH A O   1 
HETATM 1562 O  O   . HOH O 6 .   ? 42.522 10.676  27.125 1.00 29.86 ? 375 HOH A O   1 
HETATM 1563 O  O   . HOH O 6 .   ? 7.327  1.820   38.827 1.00 30.58 ? 376 HOH A O   1 
HETATM 1564 O  O   . HOH O 6 .   ? 43.743 33.661  37.633 1.00 42.41 ? 377 HOH A O   1 
HETATM 1565 O  O   . HOH O 6 .   ? 34.704 2.784   44.131 0.56 17.00 ? 378 HOH A O   1 
HETATM 1566 O  O   . HOH O 6 .   ? 25.637 16.378  27.120 0.57 29.26 ? 379 HOH A O   1 
HETATM 1567 O  O   . HOH O 6 .   ? 33.727 28.517  38.391 1.00 17.06 ? 380 HOH A O   1 
HETATM 1568 O  O   . HOH O 6 .   ? 28.932 7.717   49.522 1.00 20.00 ? 381 HOH A O   1 
HETATM 1569 O  O   . HOH O 6 .   ? 21.489 3.320   58.831 1.00 40.39 ? 382 HOH A O   1 
HETATM 1570 O  O   . HOH O 6 .   ? 14.789 1.827   38.297 1.00 21.08 ? 383 HOH A O   1 
HETATM 1571 O  O   . HOH O 6 .   ? 14.491 7.171   39.035 1.00 23.14 ? 384 HOH A O   1 
HETATM 1572 O  O   . HOH O 6 .   ? 38.430 18.811  40.395 1.00 17.27 ? 385 HOH A O   1 
HETATM 1573 O  O   . HOH O 6 .   ? 38.676 21.404  27.553 1.00 12.33 ? 386 HOH A O   1 
HETATM 1574 O  O   . HOH O 6 .   ? 32.977 26.666  40.146 1.00 13.92 ? 387 HOH A O   1 
HETATM 1575 O  O   . HOH O 6 .   ? 7.527  -7.926  38.978 1.00 43.57 ? 388 HOH A O   1 
HETATM 1576 O  O   . HOH O 6 .   ? 33.939 14.383  25.023 0.97 29.77 ? 389 HOH A O   1 
HETATM 1577 O  O   . HOH O 6 .   ? 42.720 24.838  22.302 1.00 10.89 ? 390 HOH A O   1 
HETATM 1578 O  O   . HOH O 6 .   ? 19.412 -0.382  34.532 1.00 36.11 ? 391 HOH A O   1 
HETATM 1579 O  O   . HOH O 6 .   ? 33.896 8.711   43.201 1.00 19.62 ? 392 HOH A O   1 
HETATM 1580 O  O   . HOH O 6 .   ? 11.798 17.997  39.746 1.00 23.83 ? 393 HOH A O   1 
HETATM 1581 O  O   . HOH O 6 .   ? 26.811 -7.514  49.457 1.00 13.78 ? 394 HOH A O   1 
HETATM 1582 O  O   . HOH O 6 .   ? 49.580 17.345  33.985 1.00 20.62 ? 395 HOH A O   1 
HETATM 1583 O  O   . HOH O 6 .   ? 49.159 13.613  31.789 1.00 18.55 ? 396 HOH A O   1 
HETATM 1584 O  O   . HOH O 6 .   ? 3.453  3.883   39.615 1.00 31.37 ? 397 HOH A O   1 
HETATM 1585 O  O   . HOH O 6 .   ? 10.653 10.131  43.860 1.00 15.76 ? 398 HOH A O   1 
HETATM 1586 O  O   . HOH O 6 .   ? 21.114 13.732  34.819 1.00 28.82 ? 399 HOH A O   1 
HETATM 1587 O  O   . HOH O 6 .   ? 10.776 3.612   52.317 1.00 25.23 ? 400 HOH A O   1 
HETATM 1588 O  O   . HOH O 6 .   ? 25.013 15.031  25.487 0.62 35.76 ? 401 HOH A O   1 
HETATM 1589 O  O   . HOH O 6 .   ? 17.007 -7.982  40.684 1.00 32.82 ? 402 HOH A O   1 
HETATM 1590 O  O   . HOH O 6 .   ? 44.371 5.874   42.812 0.60 27.40 ? 403 HOH A O   1 
HETATM 1591 O  O   . HOH O 6 .   ? 38.033 32.999  32.652 1.00 33.54 ? 404 HOH A O   1 
HETATM 1592 O  O   . HOH O 6 .   ? 42.696 32.442  27.173 1.00 18.57 ? 405 HOH A O   1 
HETATM 1593 O  O   . HOH O 6 .   ? 13.625 15.160  39.569 1.00 22.35 ? 406 HOH A O   1 
HETATM 1594 O  O   . HOH O 6 .   ? 8.790  -3.801  58.193 1.00 36.13 ? 407 HOH A O   1 
HETATM 1595 O  O   . HOH O 6 .   ? 22.703 5.736   56.127 1.00 32.80 ? 408 HOH A O   1 
HETATM 1596 O  O   . HOH O 6 .   ? 16.110 9.894   56.753 1.00 40.57 ? 409 HOH A O   1 
HETATM 1597 O  O   . HOH O 6 .   ? 25.690 -11.227 52.874 1.00 30.00 ? 410 HOH A O   1 
HETATM 1598 O  O   . HOH O 6 .   ? 49.733 9.031   29.031 0.55 19.02 ? 411 HOH A O   1 
HETATM 1599 O  O   . HOH O 6 .   ? 34.115 -2.201  50.753 1.00 21.52 ? 412 HOH A O   1 
HETATM 1600 O  O   . HOH O 6 .   ? 25.338 19.708  31.814 1.00 21.38 ? 413 HOH A O   1 
HETATM 1601 O  O   . HOH O 6 .   ? 34.130 10.811  45.142 1.00 40.03 ? 414 HOH A O   1 
HETATM 1602 O  O   . HOH O 6 .   ? 24.348 14.679  51.599 1.00 38.88 ? 415 HOH A O   1 
HETATM 1603 O  O   . HOH O 6 .   ? 13.253 -2.305  34.196 1.00 47.89 ? 416 HOH A O   1 
HETATM 1604 O  O   . HOH O 6 .   ? 12.781 2.534   50.609 1.00 18.20 ? 417 HOH A O   1 
HETATM 1605 O  O   . HOH O 6 .   ? 33.013 6.224   44.686 0.65 18.19 ? 418 HOH A O   1 
HETATM 1606 O  O   . HOH O 6 .   ? 12.239 -7.007  42.957 1.00 13.25 ? 419 HOH A O   1 
HETATM 1607 O  O   . HOH O 6 .   ? 11.737 8.980   57.780 0.49 26.87 ? 420 HOH A O   1 
HETATM 1608 O  O   . HOH O 6 .   ? 50.656 20.885  37.046 1.00 36.93 ? 421 HOH A O   1 
HETATM 1609 O  O   . HOH O 6 .   ? 6.003  9.898   57.142 1.00 36.87 ? 422 HOH A O   1 
HETATM 1610 O  O   . HOH O 6 .   ? 38.485 -3.543  53.668 1.00 37.03 ? 423 HOH A O   1 
HETATM 1611 O  O   . HOH O 6 .   ? 49.867 26.130  20.907 1.00 29.97 ? 424 HOH A O   1 
HETATM 1612 O  O   . HOH O 6 .   ? 44.970 27.726  30.083 1.00 18.30 ? 425 HOH A O   1 
HETATM 1613 O  O   . HOH O 6 .   ? 50.686 24.619  32.080 1.00 23.88 ? 426 HOH A O   1 
HETATM 1614 O  O   . HOH O 6 .   ? 23.951 -4.018  54.718 1.00 26.92 ? 427 HOH A O   1 
HETATM 1615 O  O   . HOH O 6 .   ? 38.352 32.948  37.804 1.00 34.12 ? 428 HOH A O   1 
HETATM 1616 O  O   . HOH O 6 .   ? 34.669 -1.881  53.403 1.00 38.39 ? 429 HOH A O   1 
HETATM 1617 O  O   . HOH O 6 .   ? 6.459  -3.338  57.020 1.00 33.13 ? 430 HOH A O   1 
HETATM 1618 O  O   . HOH O 6 .   ? 8.098  0.067   36.349 1.00 45.71 ? 431 HOH A O   1 
HETATM 1619 O  O   . HOH O 6 .   ? 52.018 15.342  21.517 1.00 33.46 ? 432 HOH A O   1 
HETATM 1620 O  O   . HOH O 6 .   ? 32.120 25.588  45.028 1.00 20.18 ? 433 HOH A O   1 
HETATM 1621 O  O   . HOH O 6 .   ? 47.606 13.141  35.844 1.00 29.08 ? 434 HOH A O   1 
HETATM 1622 O  O   . HOH O 6 .   ? 43.491 22.594  20.725 1.00 13.09 ? 435 HOH A O   1 
HETATM 1623 O  O   . HOH O 6 .   ? 9.873  12.989  53.996 0.68 19.60 ? 436 HOH A O   1 
HETATM 1624 O  O   . HOH O 6 .   ? 13.980 4.432   37.994 1.00 31.14 ? 437 HOH A O   1 
HETATM 1625 O  O   . HOH O 6 .   ? 34.295 14.447  17.872 1.00 39.01 ? 438 HOH A O   1 
HETATM 1626 O  O   . HOH O 6 .   ? 30.628 17.094  48.809 1.00 32.49 ? 439 HOH A O   1 
HETATM 1627 O  O   . HOH O 6 .   ? 9.575  12.626  43.324 0.49 16.13 ? 440 HOH A O   1 
HETATM 1628 O  O   . HOH O 6 .   ? 35.799 5.949   50.575 1.00 45.09 ? 441 HOH A O   1 
HETATM 1629 O  O   . HOH O 6 .   ? 31.714 14.882  21.814 1.00 52.45 ? 442 HOH A O   1 
HETATM 1630 O  O   . HOH O 6 .   ? 32.711 6.769   47.286 1.00 35.73 ? 443 HOH A O   1 
HETATM 1631 O  O   . HOH O 6 .   ? 48.620 14.781  34.110 1.00 27.90 ? 444 HOH A O   1 
HETATM 1632 O  O   . HOH O 6 .   ? 52.879 13.590  24.770 0.59 28.05 ? 445 HOH A O   1 
HETATM 1633 O  O   . HOH O 6 .   ? 25.573 8.210   53.441 1.00 24.81 ? 446 HOH A O   1 
HETATM 1634 O  O   . HOH O 6 .   ? 14.433 -9.007  42.842 0.53 19.99 ? 447 HOH A O   1 
HETATM 1635 O  O   . HOH O 6 .   ? 51.207 23.370  28.502 1.00 36.02 ? 448 HOH A O   1 
HETATM 1636 O  O   . HOH O 6 .   ? 9.214  16.460  42.551 0.46 21.68 ? 449 HOH A O   1 
HETATM 1637 O  O   . HOH O 6 .   ? 16.241 2.276   36.066 1.00 40.19 ? 450 HOH A O   1 
HETATM 1638 O  O   . HOH O 6 .   ? 41.254 27.453  40.887 1.00 34.97 ? 451 HOH A O   1 
HETATM 1639 O  O   . HOH O 6 .   ? 33.910 30.830  33.535 1.00 44.37 ? 452 HOH A O   1 
HETATM 1640 O  O   . HOH O 6 .   ? 53.303 15.022  17.563 1.00 33.08 ? 453 HOH A O   1 
HETATM 1641 O  O   . HOH O 6 .   ? 37.721 31.632  30.498 1.00 26.56 ? 454 HOH A O   1 
HETATM 1642 O  O   . HOH O 6 .   ? 25.433 25.424  25.430 0.16 30.25 ? 455 HOH A O   1 
HETATM 1643 O  O   . HOH O 6 .   ? 40.357 20.890  40.304 1.00 35.16 ? 456 HOH A O   1 
HETATM 1644 O  O   . HOH O 6 .   ? 40.437 25.958  23.586 1.00 11.99 ? 457 HOH A O   1 
HETATM 1645 O  O   . HOH O 6 .   ? 45.121 28.343  38.822 1.00 38.66 ? 458 HOH A O   1 
HETATM 1646 O  O   . HOH O 6 .   ? 26.456 -7.838  46.688 1.00 17.65 ? 459 HOH A O   1 
HETATM 1647 O  O   . HOH O 6 .   ? 31.092 9.089   48.574 1.00 31.35 ? 460 HOH A O   1 
HETATM 1648 O  O   . HOH O 6 .   ? 8.499  14.549  54.368 0.57 30.56 ? 461 HOH A O   1 
HETATM 1649 O  O   . HOH O 6 .   ? 18.666 12.604  36.132 1.00 35.20 ? 462 HOH A O   1 
HETATM 1650 O  O   . HOH O 6 .   ? 32.266 11.097  49.286 1.00 44.24 ? 463 HOH A O   1 
HETATM 1651 O  O   . HOH O 6 .   ? 48.046 27.233  29.462 1.00 32.16 ? 464 HOH A O   1 
HETATM 1652 O  O   . HOH O 6 .   ? 19.664 -3.617  55.906 1.00 33.62 ? 465 HOH A O   1 
HETATM 1653 O  O   . HOH O 6 .   ? 52.212 15.731  24.402 0.56 27.38 ? 466 HOH A O   1 
HETATM 1654 O  O   . HOH O 6 .   ? 37.900 12.791  19.399 1.00 26.85 ? 467 HOH A O   1 
HETATM 1655 O  O   . HOH O 6 .   ? 36.521 14.294  45.871 1.00 39.40 ? 468 HOH A O   1 
HETATM 1656 O  O   . HOH O 6 .   ? 46.496 5.448   43.248 0.61 26.53 ? 469 HOH A O   1 
HETATM 1657 O  O   . HOH O 6 .   ? 43.604 9.978   40.647 1.00 36.79 ? 470 HOH A O   1 
HETATM 1658 O  O   . HOH O 6 .   ? 22.777 11.933  53.534 1.00 43.80 ? 471 HOH A O   1 
HETATM 1659 O  O   . HOH O 6 .   ? 14.597 3.282   57.517 1.00 37.27 ? 472 HOH A O   1 
HETATM 1660 O  O   . HOH O 6 .   ? 38.537 26.127  43.837 1.00 39.18 ? 473 HOH A O   1 
HETATM 1661 O  O   . HOH O 6 .   ? 35.217 30.496  39.333 1.00 29.61 ? 474 HOH A O   1 
HETATM 1662 O  O   . HOH O 6 .   ? 35.431 30.595  30.830 1.00 31.23 ? 475 HOH A O   1 
HETATM 1663 O  O   . HOH O 6 .   ? 13.724 8.613   57.178 0.67 28.92 ? 476 HOH A O   1 
HETATM 1664 O  O   . HOH O 6 .   ? 31.845 13.393  50.670 1.00 32.74 ? 477 HOH A O   1 
HETATM 1665 O  O   . HOH O 6 .   ? 52.661 21.474  14.041 1.00 42.67 ? 478 HOH A O   1 
HETATM 1666 O  O   . HOH O 6 .   ? 48.460 19.825  39.194 1.00 32.62 ? 479 HOH A O   1 
HETATM 1667 O  O   . HOH O 6 .   ? 45.205 22.133  40.612 1.00 36.60 ? 480 HOH A O   1 
HETATM 1668 O  O   . HOH O 6 .   ? 33.763 16.789  48.396 1.00 37.14 ? 481 HOH A O   1 
HETATM 1669 O  O   . HOH O 6 .   ? 23.191 -11.617 56.021 1.00 38.33 ? 482 HOH A O   1 
HETATM 1670 O  O   . HOH O 6 .   ? 28.370 7.639   52.303 1.00 28.84 ? 483 HOH A O   1 
HETATM 1671 O  O   . HOH O 6 .   ? 24.582 10.546  54.742 1.00 30.08 ? 484 HOH A O   1 
HETATM 1672 O  O   . HOH O 6 .   ? 27.626 15.191  51.604 1.00 26.63 ? 485 HOH A O   1 
HETATM 1673 O  O   . HOH O 6 .   ? 50.399 15.500  38.503 1.00 48.63 ? 486 HOH A O   1 
HETATM 1674 O  O   . HOH O 6 .   ? 51.818 12.571  31.205 1.00 29.84 ? 487 HOH A O   1 
HETATM 1675 O  O   . HOH O 6 .   ? 52.767 13.517  28.833 1.00 30.77 ? 488 HOH A O   1 
HETATM 1676 O  O   . HOH O 6 .   ? 43.516 34.800  27.898 1.00 27.74 ? 489 HOH A O   1 
HETATM 1677 O  O   . HOH O 6 .   ? 49.700 21.692  40.811 1.00 44.79 ? 490 HOH A O   1 
HETATM 1678 O  O   . HOH O 6 .   ? 34.029 14.832  49.700 1.00 36.73 ? 491 HOH A O   1 
HETATM 1679 O  O   . HOH O 6 .   ? 14.736 6.071   59.018 1.00 41.72 ? 492 HOH A O   1 
HETATM 1680 O  O   . HOH O 6 .   ? 38.589 29.016  43.585 1.00 43.45 ? 493 HOH A O   1 
HETATM 1681 O  O   . HOH O 6 .   ? 17.880 7.605   36.187 1.00 44.94 ? 494 HOH A O   1 
HETATM 1682 O  O   . HOH O 6 .   ? 35.958 29.898  42.717 1.00 31.50 ? 495 HOH A O   1 
HETATM 1683 O  O   . HOH O 6 .   ? 28.559 13.596  54.036 1.00 44.10 ? 496 HOH A O   1 
# 
