data_9E9I
# 
_entry.id   9E9I 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.402 
_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   9E9I         pdb_00009e9i 10.2210/pdb9e9i/pdb 
WWPDB D_1000289935 ?            ?                   
# 
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 2025-02-26 ? 
2 'Structure model' 1 1 2025-03-05 ? 
# 
_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 
# 
loop_
_pdbx_audit_revision_item.ordinal 
_pdbx_audit_revision_item.revision_ordinal 
_pdbx_audit_revision_item.data_content_type 
_pdbx_audit_revision_item.item 
1 2 'Structure model' '_citation.journal_volume' 
2 2 'Structure model' '_citation.page_first'     
3 2 'Structure model' '_citation.page_last'      
# 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.entry_id                        9E9I 
_pdbx_database_status.recvd_initial_deposition_date   2024-11-08 
_pdbx_database_status.SG_entry                        N 
_pdbx_database_status.deposit_site                    RCSB 
_pdbx_database_status.process_site                    RCSB 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.status_code_nmr_data            ? 
_pdbx_database_status.methods_development_category    ? 
_pdbx_database_status.pdb_format_compatible           N 
# 
_pdbx_database_related.db_name        PDB 
_pdbx_database_related.details        . 
_pdbx_database_related.db_id          9E9H 
_pdbx_database_related.content_type   unspecified 
# 
_pdbx_contact_author.id                 2 
_pdbx_contact_author.email              cmohr@amgen.com 
_pdbx_contact_author.name_first         Christopher 
_pdbx_contact_author.name_last          Mohr 
_pdbx_contact_author.name_mi            ? 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0003-4237-2251 
# 
_audit_author.name               'Mohr, C.' 
_audit_author.pdbx_ordinal       1 
_audit_author.identifier_ORCID   0000-0003-4237-2251 
# 
_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                   US 
_citation.database_id_Medline       ? 
_citation.details                   ? 
_citation.id                        primary 
_citation.journal_abbrev            J.Med.Chem. 
_citation.journal_id_ASTM           JMCMAR 
_citation.journal_id_CSD            0151 
_citation.journal_id_ISSN           0022-2623 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            68 
_citation.language                  ? 
_citation.page_first                4801 
_citation.page_last                 4817 
_citation.title                     
'Identification of Structurally Novel KRAS G12C Inhibitors through Covalent DNA-Encoded Library Screening.' 
_citation.year                      2025 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      10.1021/acs.jmedchem.4c03071 
_citation.pdbx_database_id_PubMed   39930787 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Huang, D.'      1  0000-0002-7179-0738 
primary 'Manoni, F.'     2  ?                   
primary 'Sun, Z.'        3  ?                   
primary 'Liu, R.'        4  ?                   
primary 'Allen, J.R.'    5  ?                   
primary 'Banerjee, A.'   6  ?                   
primary 'Cee, V.J.'      7  0000-0002-7714-397X 
primary 'Eshon, J.'      8  ?                   
primary 'Frohn, M.J.'    9  ?                   
primary 'Kaller, M.R.'   10 ?                   
primary 'Lee, H.'        11 ?                   
primary 'Li, C.'         12 ?                   
primary 'Li, X.'         13 ?                   
primary 'Lopez, P.'      14 ?                   
primary 'Ma, V.'         15 ?                   
primary 'Medina, J.M.'   16 ?                   
primary 'Mohr, C.'       17 ?                   
primary 'Mukhina, O.A.'  18 ?                   
primary 'Pickrell, A.J.' 19 ?                   
primary 'Stellwagen, J.' 20 ?                   
primary 'Wu, W.'         21 ?                   
primary 'Zhang, W.'      22 ?                   
primary 'Zhu, K.'        23 0000-0002-6610-7607 
primary 'Dahal, U.P.'    24 0000-0002-3891-3302 
primary 'Hu, L.A.'       25 0000-0002-3427-7273 
primary 'Leavitt, M.'    26 ?                   
primary 'Li, W.'         27 ?                   
primary 'Li, Y.'         28 ?                   
primary 'Ma, Y.'         29 ?                   
primary 'Rex, K.'        30 ?                   
primary 'Saiki, A.Y.'    31 0000-0003-3913-1860 
primary 'Wang, P.'       32 ?                   
primary 'Sun, Y.'        33 ?                   
primary 'Dai, D.'        34 0000-0001-7962-3718 
primary 'Tamayo, N.A.'   35 0000-0002-0497-5230 
primary 'Lanman, B.A.'   36 0000-0002-8768-7188 
# 
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 'Isoform 2B of GTPase KRas' 21123.918 1   3.6.5.2 C118A ? 'G12C variant' 
2 non-polymer syn 'MAGNESIUM ION' 24.305    1   ?       ?     ? ?              
3 non-polymer syn "GUANOSINE-5'-DIPHOSPHATE" 443.201   1   ?       ?     ? ?              
4 non-polymer syn 
;1-{6-[(4P,6R,8R)-3-fluoro-4-(3-hydroxynaphthalen-1-yl)-7,7-dimethyl-5,6,7,8-tetrahydro-6,8-methanoquinolin-2-yl]-2,6-diazaspiro[3.4]octan-2-yl}propan-1-one
;
499.619   1   ?       ?     ? ?              
5 non-polymer syn 1,2-ETHANEDIOL 62.068    3   ?       ?     ? ?              
6 water       nat water 18.015    182 ?       ?     ? ?              
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        'K-Ras 2,Ki-Ras,c-K-ras,c-Ki-ras' 
# 
_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       
;MKHHHHHHHLVPRGSMTEYKLVVVGACGVGKSALTIQLIQNHFVDEYDPTIEDSYRKQVVIDGETCLLDILDTAGQEEYS
AMRDQYMRTGEGFLCVFAINNTKSFEDIHHYREQIKRVKDSEDVPMVLVGNKADLPSRTVDTKQAQDLARSYGIPFIETS
AKTRQGVDDAFYTLVREIRKHKEK
;
_entity_poly.pdbx_seq_one_letter_code_can   
;MKHHHHHHHLVPRGSMTEYKLVVVGACGVGKSALTIQLIQNHFVDEYDPTIEDSYRKQVVIDGETCLLDILDTAGQEEYS
AMRDQYMRTGEGFLCVFAINNTKSFEDIHHYREQIKRVKDSEDVPMVLVGNKADLPSRTVDTKQAQDLARSYGIPFIETS
AKTRQGVDDAFYTLVREIRKHKEK
;
_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 'MAGNESIUM ION' MG    
3 "GUANOSINE-5'-DIPHOSPHATE" GDP   
4 
;1-{6-[(4P,6R,8R)-3-fluoro-4-(3-hydroxynaphthalen-1-yl)-7,7-dimethyl-5,6,7,8-tetrahydro-6,8-methanoquinolin-2-yl]-2,6-diazaspiro[3.4]octan-2-yl}propan-1-one
;
A1BH5 
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   MET n 
1 2   LYS n 
1 3   HIS n 
1 4   HIS n 
1 5   HIS n 
1 6   HIS n 
1 7   HIS n 
1 8   HIS n 
1 9   HIS n 
1 10  LEU n 
1 11  VAL n 
1 12  PRO n 
1 13  ARG n 
1 14  GLY n 
1 15  SER n 
1 16  MET n 
1 17  THR n 
1 18  GLU n 
1 19  TYR n 
1 20  LYS n 
1 21  LEU n 
1 22  VAL n 
1 23  VAL n 
1 24  VAL n 
1 25  GLY n 
1 26  ALA n 
1 27  CYS n 
1 28  GLY n 
1 29  VAL n 
1 30  GLY n 
1 31  LYS n 
1 32  SER n 
1 33  ALA n 
1 34  LEU n 
1 35  THR n 
1 36  ILE n 
1 37  GLN n 
1 38  LEU n 
1 39  ILE n 
1 40  GLN n 
1 41  ASN n 
1 42  HIS n 
1 43  PHE n 
1 44  VAL n 
1 45  ASP n 
1 46  GLU n 
1 47  TYR n 
1 48  ASP n 
1 49  PRO n 
1 50  THR n 
1 51  ILE n 
1 52  GLU n 
1 53  ASP n 
1 54  SER n 
1 55  TYR n 
1 56  ARG n 
1 57  LYS n 
1 58  GLN n 
1 59  VAL n 
1 60  VAL n 
1 61  ILE n 
1 62  ASP n 
1 63  GLY n 
1 64  GLU n 
1 65  THR n 
1 66  CYS n 
1 67  LEU n 
1 68  LEU n 
1 69  ASP n 
1 70  ILE n 
1 71  LEU n 
1 72  ASP n 
1 73  THR n 
1 74  ALA n 
1 75  GLY n 
1 76  GLN n 
1 77  GLU n 
1 78  GLU n 
1 79  TYR n 
1 80  SER n 
1 81  ALA n 
1 82  MET n 
1 83  ARG n 
1 84  ASP n 
1 85  GLN n 
1 86  TYR n 
1 87  MET n 
1 88  ARG n 
1 89  THR n 
1 90  GLY n 
1 91  GLU n 
1 92  GLY n 
1 93  PHE n 
1 94  LEU n 
1 95  CYS n 
1 96  VAL n 
1 97  PHE n 
1 98  ALA n 
1 99  ILE n 
1 100 ASN n 
1 101 ASN n 
1 102 THR n 
1 103 LYS n 
1 104 SER n 
1 105 PHE n 
1 106 GLU n 
1 107 ASP n 
1 108 ILE n 
1 109 HIS n 
1 110 HIS n 
1 111 TYR n 
1 112 ARG n 
1 113 GLU n 
1 114 GLN n 
1 115 ILE n 
1 116 LYS n 
1 117 ARG n 
1 118 VAL n 
1 119 LYS n 
1 120 ASP n 
1 121 SER n 
1 122 GLU n 
1 123 ASP n 
1 124 VAL n 
1 125 PRO n 
1 126 MET n 
1 127 VAL n 
1 128 LEU n 
1 129 VAL n 
1 130 GLY n 
1 131 ASN n 
1 132 LYS n 
1 133 ALA n 
1 134 ASP n 
1 135 LEU n 
1 136 PRO n 
1 137 SER n 
1 138 ARG n 
1 139 THR n 
1 140 VAL n 
1 141 ASP n 
1 142 THR n 
1 143 LYS n 
1 144 GLN n 
1 145 ALA n 
1 146 GLN n 
1 147 ASP n 
1 148 LEU n 
1 149 ALA n 
1 150 ARG n 
1 151 SER n 
1 152 TYR n 
1 153 GLY n 
1 154 ILE n 
1 155 PRO n 
1 156 PHE n 
1 157 ILE n 
1 158 GLU n 
1 159 THR n 
1 160 SER n 
1 161 ALA n 
1 162 LYS n 
1 163 THR n 
1 164 ARG n 
1 165 GLN n 
1 166 GLY n 
1 167 VAL n 
1 168 ASP n 
1 169 ASP n 
1 170 ALA n 
1 171 PHE n 
1 172 TYR n 
1 173 THR n 
1 174 LEU n 
1 175 VAL n 
1 176 ARG n 
1 177 GLU n 
1 178 ILE n 
1 179 ARG n 
1 180 LYS n 
1 181 HIS n 
1 182 LYS n 
1 183 GLU n 
1 184 LYS 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                   184 
_entity_src_gen.gene_src_common_name               human 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 'KRAS, KRAS2, RASK2' 
_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      'Homo sapiens' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     9606 
_entity_src_gen.pdbx_gene_src_variant              'VAR_006839 G12C' 
_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 BL21(DE3)' 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     469008 
_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 
A1BH5 non-polymer         . 
;1-{6-[(4P,6R,8R)-3-fluoro-4-(3-hydroxynaphthalen-1-yl)-7,7-dimethyl-5,6,7,8-tetrahydro-6,8-methanoquinolin-2-yl]-2,6-diazaspiro[3.4]octan-2-yl}propan-1-one
;
?                 'C31 H34 F N3 O2'   499.619 
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 
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  
GDP   'RNA linking'       n "GUANOSINE-5'-DIPHOSPHATE" ?                 'C10 H15 N5 O11 P2' 443.201 
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 
MG    non-polymer         . 'MAGNESIUM ION' ?                 'Mg 2'              24.305  
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 
THR   'L-peptide linking' y THREONINE ?                 'C4 H9 N O3'        119.119 
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   MET 1   -14 ?   ?   ?   A . n 
A 1 2   LYS 2   -13 ?   ?   ?   A . n 
A 1 3   HIS 3   -12 ?   ?   ?   A . n 
A 1 4   HIS 4   -11 ?   ?   ?   A . n 
A 1 5   HIS 5   -10 ?   ?   ?   A . n 
A 1 6   HIS 6   -9  ?   ?   ?   A . n 
A 1 7   HIS 7   -8  ?   ?   ?   A . n 
A 1 8   HIS 8   -7  ?   ?   ?   A . n 
A 1 9   HIS 9   -6  ?   ?   ?   A . n 
A 1 10  LEU 10  -5  ?   ?   ?   A . n 
A 1 11  VAL 11  -4  ?   ?   ?   A . n 
A 1 12  PRO 12  -3  ?   ?   ?   A . n 
A 1 13  ARG 13  -2  ?   ?   ?   A . n 
A 1 14  GLY 14  -1  ?   ?   ?   A . n 
A 1 15  SER 15  0   ?   ?   ?   A . n 
A 1 16  MET 16  1   1   MET MET A . n 
A 1 17  THR 17  2   2   THR THR A . n 
A 1 18  GLU 18  3   3   GLU GLU A . n 
A 1 19  TYR 19  4   4   TYR TYR A . n 
A 1 20  LYS 20  5   5   LYS LYS A . n 
A 1 21  LEU 21  6   6   LEU LEU A . n 
A 1 22  VAL 22  7   7   VAL VAL A . n 
A 1 23  VAL 23  8   8   VAL VAL A . n 
A 1 24  VAL 24  9   9   VAL VAL A . n 
A 1 25  GLY 25  10  10  GLY GLY A . n 
A 1 26  ALA 26  11  11  ALA ALA A . n 
A 1 27  CYS 27  12  12  CYS CYS A . n 
A 1 28  GLY 28  13  13  GLY GLY A . n 
A 1 29  VAL 29  14  14  VAL VAL A . n 
A 1 30  GLY 30  15  15  GLY GLY A . n 
A 1 31  LYS 31  16  16  LYS LYS A . n 
A 1 32  SER 32  17  17  SER SER A . n 
A 1 33  ALA 33  18  18  ALA ALA A . n 
A 1 34  LEU 34  19  19  LEU LEU A . n 
A 1 35  THR 35  20  20  THR THR A . n 
A 1 36  ILE 36  21  21  ILE ILE A . n 
A 1 37  GLN 37  22  22  GLN GLN A . n 
A 1 38  LEU 38  23  23  LEU LEU A . n 
A 1 39  ILE 39  24  24  ILE ILE A . n 
A 1 40  GLN 40  25  25  GLN GLN A . n 
A 1 41  ASN 41  26  26  ASN ASN A . n 
A 1 42  HIS 42  27  27  HIS HIS A . n 
A 1 43  PHE 43  28  28  PHE PHE A . n 
A 1 44  VAL 44  29  29  VAL VAL A . n 
A 1 45  ASP 45  30  30  ASP ASP A . n 
A 1 46  GLU 46  31  31  GLU GLU A . n 
A 1 47  TYR 47  32  32  TYR TYR A . n 
A 1 48  ASP 48  33  33  ASP ASP A . n 
A 1 49  PRO 49  34  34  PRO PRO A . n 
A 1 50  THR 50  35  35  THR THR A . n 
A 1 51  ILE 51  36  36  ILE ILE A . n 
A 1 52  GLU 52  37  37  GLU GLU A . n 
A 1 53  ASP 53  38  38  ASP ASP A . n 
A 1 54  SER 54  39  39  SER SER A . n 
A 1 55  TYR 55  40  40  TYR TYR A . n 
A 1 56  ARG 56  41  41  ARG ARG A . n 
A 1 57  LYS 57  42  42  LYS LYS A . n 
A 1 58  GLN 58  43  43  GLN GLN A . n 
A 1 59  VAL 59  44  44  VAL VAL A . n 
A 1 60  VAL 60  45  45  VAL VAL A . n 
A 1 61  ILE 61  46  46  ILE ILE A . n 
A 1 62  ASP 62  47  47  ASP ASP A . n 
A 1 63  GLY 63  48  48  GLY GLY A . n 
A 1 64  GLU 64  49  49  GLU GLU A . n 
A 1 65  THR 65  50  50  THR THR A . n 
A 1 66  CYS 66  51  51  CYS CYS A . n 
A 1 67  LEU 67  52  52  LEU LEU A . n 
A 1 68  LEU 68  53  53  LEU LEU A . n 
A 1 69  ASP 69  54  54  ASP ASP A . n 
A 1 70  ILE 70  55  55  ILE ILE A . n 
A 1 71  LEU 71  56  56  LEU LEU A . n 
A 1 72  ASP 72  57  57  ASP ASP A . n 
A 1 73  THR 73  58  58  THR THR A . n 
A 1 74  ALA 74  59  59  ALA ALA A . n 
A 1 75  GLY 75  60  60  GLY GLY A . n 
A 1 76  GLN 76  61  61  GLN GLN A . n 
A 1 77  GLU 77  62  62  GLU GLU A . n 
A 1 78  GLU 78  63  63  GLU GLU A . n 
A 1 79  TYR 79  64  64  TYR TYR A . n 
A 1 80  SER 80  65  65  SER SER A . n 
A 1 81  ALA 81  66  66  ALA ALA A . n 
A 1 82  MET 82  67  67  MET MET A . n 
A 1 83  ARG 83  68  68  ARG ARG A . n 
A 1 84  ASP 84  69  69  ASP ASP A . n 
A 1 85  GLN 85  70  70  GLN GLN A . n 
A 1 86  TYR 86  71  71  TYR TYR A . n 
A 1 87  MET 87  72  72  MET MET A . n 
A 1 88  ARG 88  73  73  ARG ARG A . n 
A 1 89  THR 89  74  74  THR THR A . n 
A 1 90  GLY 90  75  75  GLY GLY A . n 
A 1 91  GLU 91  76  76  GLU GLU A . n 
A 1 92  GLY 92  77  77  GLY GLY A . n 
A 1 93  PHE 93  78  78  PHE PHE A . n 
A 1 94  LEU 94  79  79  LEU LEU A . n 
A 1 95  CYS 95  80  80  CYS CYS A . n 
A 1 96  VAL 96  81  81  VAL VAL A . n 
A 1 97  PHE 97  82  82  PHE PHE A . n 
A 1 98  ALA 98  83  83  ALA ALA A . n 
A 1 99  ILE 99  84  84  ILE ILE A . n 
A 1 100 ASN 100 85  85  ASN ASN A . n 
A 1 101 ASN 101 86  86  ASN ASN A . n 
A 1 102 THR 102 87  87  THR THR A . n 
A 1 103 LYS 103 88  88  LYS LYS A . n 
A 1 104 SER 104 89  89  SER SER A . n 
A 1 105 PHE 105 90  90  PHE PHE A . n 
A 1 106 GLU 106 91  91  GLU GLU A . n 
A 1 107 ASP 107 92  92  ASP ASP A . n 
A 1 108 ILE 108 93  93  ILE ILE A . n 
A 1 109 HIS 109 94  94  HIS HIS A . n 
A 1 110 HIS 110 95  95  HIS HIS A . n 
A 1 111 TYR 111 96  96  TYR TYR A . n 
A 1 112 ARG 112 97  97  ARG ARG A . n 
A 1 113 GLU 113 98  98  GLU GLU A . n 
A 1 114 GLN 114 99  99  GLN GLN A . n 
A 1 115 ILE 115 100 100 ILE ILE A . n 
A 1 116 LYS 116 101 101 LYS LYS A . n 
A 1 117 ARG 117 102 102 ARG ARG A . n 
A 1 118 VAL 118 103 103 VAL VAL A . n 
A 1 119 LYS 119 104 104 LYS LYS A . n 
A 1 120 ASP 120 105 105 ASP ASP A . n 
A 1 121 SER 121 106 106 SER SER A . n 
A 1 122 GLU 122 107 107 GLU GLU A . n 
A 1 123 ASP 123 108 108 ASP ASP A . n 
A 1 124 VAL 124 109 109 VAL VAL A . n 
A 1 125 PRO 125 110 110 PRO PRO A . n 
A 1 126 MET 126 111 111 MET MET A . n 
A 1 127 VAL 127 112 112 VAL VAL A . n 
A 1 128 LEU 128 113 113 LEU LEU A . n 
A 1 129 VAL 129 114 114 VAL VAL A . n 
A 1 130 GLY 130 115 115 GLY GLY A . n 
A 1 131 ASN 131 116 116 ASN ASN A . n 
A 1 132 LYS 132 117 117 LYS LYS A . n 
A 1 133 ALA 133 118 118 ALA ALA A . n 
A 1 134 ASP 134 119 119 ASP ASP A . n 
A 1 135 LEU 135 120 120 LEU LEU A . n 
A 1 136 PRO 136 121 121 PRO PRO A . n 
A 1 137 SER 137 122 122 SER SER A . n 
A 1 138 ARG 138 123 123 ARG ARG A . n 
A 1 139 THR 139 124 124 THR THR A . n 
A 1 140 VAL 140 125 125 VAL VAL A . n 
A 1 141 ASP 141 126 126 ASP ASP A . n 
A 1 142 THR 142 127 127 THR THR A . n 
A 1 143 LYS 143 128 128 LYS LYS A . n 
A 1 144 GLN 144 129 129 GLN GLN A . n 
A 1 145 ALA 145 130 130 ALA ALA A . n 
A 1 146 GLN 146 131 131 GLN GLN A . n 
A 1 147 ASP 147 132 132 ASP ASP A . n 
A 1 148 LEU 148 133 133 LEU LEU A . n 
A 1 149 ALA 149 134 134 ALA ALA A . n 
A 1 150 ARG 150 135 135 ARG ARG A . n 
A 1 151 SER 151 136 136 SER SER A . n 
A 1 152 TYR 152 137 137 TYR TYR A . n 
A 1 153 GLY 153 138 138 GLY GLY A . n 
A 1 154 ILE 154 139 139 ILE ILE A . n 
A 1 155 PRO 155 140 140 PRO PRO A . n 
A 1 156 PHE 156 141 141 PHE PHE A . n 
A 1 157 ILE 157 142 142 ILE ILE A . n 
A 1 158 GLU 158 143 143 GLU GLU A . n 
A 1 159 THR 159 144 144 THR THR A . n 
A 1 160 SER 160 145 145 SER SER A . n 
A 1 161 ALA 161 146 146 ALA ALA A . n 
A 1 162 LYS 162 147 147 LYS LYS A . n 
A 1 163 THR 163 148 148 THR THR A . n 
A 1 164 ARG 164 149 149 ARG ARG A . n 
A 1 165 GLN 165 150 150 GLN GLN A . n 
A 1 166 GLY 166 151 151 GLY GLY A . n 
A 1 167 VAL 167 152 152 VAL VAL A . n 
A 1 168 ASP 168 153 153 ASP ASP A . n 
A 1 169 ASP 169 154 154 ASP ASP A . n 
A 1 170 ALA 170 155 155 ALA ALA A . n 
A 1 171 PHE 171 156 156 PHE PHE A . n 
A 1 172 TYR 172 157 157 TYR TYR A . n 
A 1 173 THR 173 158 158 THR THR A . n 
A 1 174 LEU 174 159 159 LEU LEU A . n 
A 1 175 VAL 175 160 160 VAL VAL A . n 
A 1 176 ARG 176 161 161 ARG ARG A . n 
A 1 177 GLU 177 162 162 GLU GLU A . n 
A 1 178 ILE 178 163 163 ILE ILE A . n 
A 1 179 ARG 179 164 164 ARG ARG A . n 
A 1 180 LYS 180 165 165 LYS LYS A . n 
A 1 181 HIS 181 166 166 HIS HIS A . n 
A 1 182 LYS 182 167 167 LYS LYS A . n 
A 1 183 GLU 183 168 168 GLU GLU A . n 
A 1 184 LYS 184 169 ?   ?   ?   A . n 
# 
_pdbx_entity_instance_feature.ordinal        1 
_pdbx_entity_instance_feature.comp_id        A1BH5 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   A1BH5 
_pdbx_entity_instance_feature.auth_asym_id   ? 
_pdbx_entity_instance_feature.auth_seq_num   ? 
_pdbx_entity_instance_feature.feature_type   'SUBJECT OF INVESTIGATION' 
_pdbx_entity_instance_feature.details        ? 
# 
loop_
_pdbx_nonpoly_scheme.asym_id 
_pdbx_nonpoly_scheme.entity_id 
_pdbx_nonpoly_scheme.mon_id 
_pdbx_nonpoly_scheme.ndb_seq_num 
_pdbx_nonpoly_scheme.pdb_seq_num 
_pdbx_nonpoly_scheme.auth_seq_num 
_pdbx_nonpoly_scheme.pdb_mon_id 
_pdbx_nonpoly_scheme.auth_mon_id 
_pdbx_nonpoly_scheme.pdb_strand_id 
_pdbx_nonpoly_scheme.pdb_ins_code 
B 2 MG    1   301 301 MG    MG  A . 
C 3 GDP   1   302 501 GDP   GDP A . 
D 4 A1BH5 1   303 701 A1BH5 UNL A . 
E 5 EDO   1   304 1   EDO   EDO A . 
F 5 EDO   1   305 2   EDO   EDO A . 
G 5 EDO   1   306 3   EDO   EDO A . 
H 6 HOH   1   401 145 HOH   HOH A . 
H 6 HOH   2   402 161 HOH   HOH A . 
H 6 HOH   3   403 29  HOH   HOH A . 
H 6 HOH   4   404 141 HOH   HOH A . 
H 6 HOH   5   405 50  HOH   HOH A . 
H 6 HOH   6   406 19  HOH   HOH A . 
H 6 HOH   7   407 403 HOH   HOH A . 
H 6 HOH   8   408 96  HOH   HOH A . 
H 6 HOH   9   409 39  HOH   HOH A . 
H 6 HOH   10  410 401 HOH   HOH A . 
H 6 HOH   11  411 76  HOH   HOH A . 
H 6 HOH   12  412 14  HOH   HOH A . 
H 6 HOH   13  413 57  HOH   HOH A . 
H 6 HOH   14  414 172 HOH   HOH A . 
H 6 HOH   15  415 6   HOH   HOH A . 
H 6 HOH   16  416 36  HOH   HOH A . 
H 6 HOH   17  417 69  HOH   HOH A . 
H 6 HOH   18  418 48  HOH   HOH A . 
H 6 HOH   19  419 110 HOH   HOH A . 
H 6 HOH   20  420 34  HOH   HOH A . 
H 6 HOH   21  421 150 HOH   HOH A . 
H 6 HOH   22  422 77  HOH   HOH A . 
H 6 HOH   23  423 174 HOH   HOH A . 
H 6 HOH   24  424 27  HOH   HOH A . 
H 6 HOH   25  425 47  HOH   HOH A . 
H 6 HOH   26  426 59  HOH   HOH A . 
H 6 HOH   27  427 24  HOH   HOH A . 
H 6 HOH   28  428 109 HOH   HOH A . 
H 6 HOH   29  429 1   HOH   HOH A . 
H 6 HOH   30  430 147 HOH   HOH A . 
H 6 HOH   31  431 404 HOH   HOH A . 
H 6 HOH   32  432 68  HOH   HOH A . 
H 6 HOH   33  433 9   HOH   HOH A . 
H 6 HOH   34  434 75  HOH   HOH A . 
H 6 HOH   35  435 108 HOH   HOH A . 
H 6 HOH   36  436 56  HOH   HOH A . 
H 6 HOH   37  437 17  HOH   HOH A . 
H 6 HOH   38  438 16  HOH   HOH A . 
H 6 HOH   39  439 178 HOH   HOH A . 
H 6 HOH   40  440 28  HOH   HOH A . 
H 6 HOH   41  441 25  HOH   HOH A . 
H 6 HOH   42  442 4   HOH   HOH A . 
H 6 HOH   43  443 97  HOH   HOH A . 
H 6 HOH   44  444 93  HOH   HOH A . 
H 6 HOH   45  445 61  HOH   HOH A . 
H 6 HOH   46  446 177 HOH   HOH A . 
H 6 HOH   47  447 51  HOH   HOH A . 
H 6 HOH   48  448 131 HOH   HOH A . 
H 6 HOH   49  449 55  HOH   HOH A . 
H 6 HOH   50  450 121 HOH   HOH A . 
H 6 HOH   51  451 103 HOH   HOH A . 
H 6 HOH   52  452 148 HOH   HOH A . 
H 6 HOH   53  453 3   HOH   HOH A . 
H 6 HOH   54  454 22  HOH   HOH A . 
H 6 HOH   55  455 166 HOH   HOH A . 
H 6 HOH   56  456 2   HOH   HOH A . 
H 6 HOH   57  457 63  HOH   HOH A . 
H 6 HOH   58  458 135 HOH   HOH A . 
H 6 HOH   59  459 149 HOH   HOH A . 
H 6 HOH   60  460 104 HOH   HOH A . 
H 6 HOH   61  461 20  HOH   HOH A . 
H 6 HOH   62  462 156 HOH   HOH A . 
H 6 HOH   63  463 5   HOH   HOH A . 
H 6 HOH   64  464 8   HOH   HOH A . 
H 6 HOH   65  465 106 HOH   HOH A . 
H 6 HOH   66  466 116 HOH   HOH A . 
H 6 HOH   67  467 91  HOH   HOH A . 
H 6 HOH   68  468 120 HOH   HOH A . 
H 6 HOH   69  469 62  HOH   HOH A . 
H 6 HOH   70  470 40  HOH   HOH A . 
H 6 HOH   71  471 83  HOH   HOH A . 
H 6 HOH   72  472 173 HOH   HOH A . 
H 6 HOH   73  473 175 HOH   HOH A . 
H 6 HOH   74  474 33  HOH   HOH A . 
H 6 HOH   75  475 100 HOH   HOH A . 
H 6 HOH   76  476 158 HOH   HOH A . 
H 6 HOH   77  477 144 HOH   HOH A . 
H 6 HOH   78  478 41  HOH   HOH A . 
H 6 HOH   79  479 90  HOH   HOH A . 
H 6 HOH   80  480 13  HOH   HOH A . 
H 6 HOH   81  481 119 HOH   HOH A . 
H 6 HOH   82  482 23  HOH   HOH A . 
H 6 HOH   83  483 72  HOH   HOH A . 
H 6 HOH   84  484 80  HOH   HOH A . 
H 6 HOH   85  485 128 HOH   HOH A . 
H 6 HOH   86  486 118 HOH   HOH A . 
H 6 HOH   87  487 10  HOH   HOH A . 
H 6 HOH   88  488 151 HOH   HOH A . 
H 6 HOH   89  489 52  HOH   HOH A . 
H 6 HOH   90  490 170 HOH   HOH A . 
H 6 HOH   91  491 402 HOH   HOH A . 
H 6 HOH   92  492 74  HOH   HOH A . 
H 6 HOH   93  493 66  HOH   HOH A . 
H 6 HOH   94  494 171 HOH   HOH A . 
H 6 HOH   95  495 58  HOH   HOH A . 
H 6 HOH   96  496 94  HOH   HOH A . 
H 6 HOH   97  497 127 HOH   HOH A . 
H 6 HOH   98  498 73  HOH   HOH A . 
H 6 HOH   99  499 111 HOH   HOH A . 
H 6 HOH   100 500 92  HOH   HOH A . 
H 6 HOH   101 501 126 HOH   HOH A . 
H 6 HOH   102 502 107 HOH   HOH A . 
H 6 HOH   103 503 78  HOH   HOH A . 
H 6 HOH   104 504 176 HOH   HOH A . 
H 6 HOH   105 505 18  HOH   HOH A . 
H 6 HOH   106 506 153 HOH   HOH A . 
H 6 HOH   107 507 115 HOH   HOH A . 
H 6 HOH   108 508 164 HOH   HOH A . 
H 6 HOH   109 509 157 HOH   HOH A . 
H 6 HOH   110 510 87  HOH   HOH A . 
H 6 HOH   111 511 64  HOH   HOH A . 
H 6 HOH   112 512 12  HOH   HOH A . 
H 6 HOH   113 513 95  HOH   HOH A . 
H 6 HOH   114 514 81  HOH   HOH A . 
H 6 HOH   115 515 26  HOH   HOH A . 
H 6 HOH   116 516 54  HOH   HOH A . 
H 6 HOH   117 517 30  HOH   HOH A . 
H 6 HOH   118 518 45  HOH   HOH A . 
H 6 HOH   119 519 155 HOH   HOH A . 
H 6 HOH   120 520 143 HOH   HOH A . 
H 6 HOH   121 521 21  HOH   HOH A . 
H 6 HOH   122 522 49  HOH   HOH A . 
H 6 HOH   123 523 15  HOH   HOH A . 
H 6 HOH   124 524 11  HOH   HOH A . 
H 6 HOH   125 525 152 HOH   HOH A . 
H 6 HOH   126 526 146 HOH   HOH A . 
H 6 HOH   127 527 129 HOH   HOH A . 
H 6 HOH   128 528 101 HOH   HOH A . 
H 6 HOH   129 529 122 HOH   HOH A . 
H 6 HOH   130 530 71  HOH   HOH A . 
H 6 HOH   131 531 88  HOH   HOH A . 
H 6 HOH   132 532 46  HOH   HOH A . 
H 6 HOH   133 533 31  HOH   HOH A . 
H 6 HOH   134 534 70  HOH   HOH A . 
H 6 HOH   135 535 159 HOH   HOH A . 
H 6 HOH   136 536 60  HOH   HOH A . 
H 6 HOH   137 537 123 HOH   HOH A . 
H 6 HOH   138 538 38  HOH   HOH A . 
H 6 HOH   139 539 117 HOH   HOH A . 
H 6 HOH   140 540 43  HOH   HOH A . 
H 6 HOH   141 541 37  HOH   HOH A . 
H 6 HOH   142 542 160 HOH   HOH A . 
H 6 HOH   143 543 84  HOH   HOH A . 
H 6 HOH   144 544 105 HOH   HOH A . 
H 6 HOH   145 545 99  HOH   HOH A . 
H 6 HOH   146 546 7   HOH   HOH A . 
H 6 HOH   147 547 85  HOH   HOH A . 
H 6 HOH   148 548 162 HOH   HOH A . 
H 6 HOH   149 549 113 HOH   HOH A . 
H 6 HOH   150 550 137 HOH   HOH A . 
H 6 HOH   151 551 67  HOH   HOH A . 
H 6 HOH   152 552 42  HOH   HOH A . 
H 6 HOH   153 553 154 HOH   HOH A . 
H 6 HOH   154 554 114 HOH   HOH A . 
H 6 HOH   155 555 140 HOH   HOH A . 
H 6 HOH   156 556 165 HOH   HOH A . 
H 6 HOH   157 557 53  HOH   HOH A . 
H 6 HOH   158 558 102 HOH   HOH A . 
H 6 HOH   159 559 134 HOH   HOH A . 
H 6 HOH   160 560 142 HOH   HOH A . 
H 6 HOH   161 561 79  HOH   HOH A . 
H 6 HOH   162 562 44  HOH   HOH A . 
H 6 HOH   163 563 139 HOH   HOH A . 
H 6 HOH   164 564 132 HOH   HOH A . 
H 6 HOH   165 565 133 HOH   HOH A . 
H 6 HOH   166 566 98  HOH   HOH A . 
H 6 HOH   167 567 138 HOH   HOH A . 
H 6 HOH   168 568 86  HOH   HOH A . 
H 6 HOH   169 569 112 HOH   HOH A . 
H 6 HOH   170 570 35  HOH   HOH A . 
H 6 HOH   171 571 124 HOH   HOH A . 
H 6 HOH   172 572 32  HOH   HOH A . 
H 6 HOH   173 573 89  HOH   HOH A . 
H 6 HOH   174 574 167 HOH   HOH A . 
H 6 HOH   175 575 82  HOH   HOH A . 
H 6 HOH   176 576 163 HOH   HOH A . 
H 6 HOH   177 577 168 HOH   HOH A . 
H 6 HOH   178 578 136 HOH   HOH A . 
H 6 HOH   179 579 130 HOH   HOH A . 
H 6 HOH   180 580 169 HOH   HOH A . 
H 6 HOH   181 581 125 HOH   HOH A . 
H 6 HOH   182 582 65  HOH   HOH A . 
# 
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 reduction' ? ? ? ? ? ? ? ? ? ? ? XDS    ? ? ? 2022     1 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? XDS    ? ? ? 2022     2 
? phasing          ? ? ? ? ? ? ? ? ? ? ? PHASER ? ? ? 2.8.3    3 
? refinement       ? ? ? ? ? ? ? ? ? ? ? REFMAC ? ? ? 5.8.0267 4 
? 'model building' ? ? ? ? ? ? ? ? ? ? ? Coot   ? ? ? 0.8.9.1  5 
# 
_cell.angle_alpha                  90.00 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   100.38 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  90.00 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     9E9I 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     45.386 
_cell.length_a_esd                 ? 
_cell.length_b                     39.854 
_cell.length_b_esd                 ? 
_cell.length_c                     52.718 
_cell.length_c_esd                 ? 
_cell.volume                       ? 
_cell.volume_esd                   ? 
_cell.Z_PDB                        2 
_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                         9E9I 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                4 
_symmetry.space_group_name_Hall            ? 
_symmetry.space_group_name_H-M             'P 1 21 1' 
_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                   9E9I 
_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             2.22 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          44.60 
_exptl_crystal.description                  ? 
_exptl_crystal.F_000                        ? 
_exptl_crystal.id                           1 
_exptl_crystal.preparation                  ? 
_exptl_crystal.size_max                     ? 
_exptl_crystal.size_mid                     ? 
_exptl_crystal.size_min                     ? 
_exptl_crystal.size_rad                     ? 
_exptl_crystal.colour_lustre                ? 
_exptl_crystal.colour_modifier              ? 
_exptl_crystal.colour_primary               ? 
_exptl_crystal.density_meas                 ? 
_exptl_crystal.density_meas_esd             ? 
_exptl_crystal.density_meas_gt              ? 
_exptl_crystal.density_meas_lt              ? 
_exptl_crystal.density_meas_temp            ? 
_exptl_crystal.density_meas_temp_esd        ? 
_exptl_crystal.density_meas_temp_gt         ? 
_exptl_crystal.density_meas_temp_lt         ? 
_exptl_crystal.pdbx_crystal_image_url       ? 
_exptl_crystal.pdbx_crystal_image_format    ? 
_exptl_crystal.pdbx_mosaicity               ? 
_exptl_crystal.pdbx_mosaicity_esd           ? 
_exptl_crystal.pdbx_mosaic_method           ? 
_exptl_crystal.pdbx_mosaic_block_size       ? 
_exptl_crystal.pdbx_mosaic_block_size_esd   ? 
# 
_exptl_crystal_grow.apparatus       ? 
_exptl_crystal_grow.atmosphere      ? 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.details         ? 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, SITTING DROP' 
_exptl_crystal_grow.method_ref      ? 
_exptl_crystal_grow.pH              5.6 
_exptl_crystal_grow.pressure        ? 
_exptl_crystal_grow.pressure_esd    ? 
_exptl_crystal_grow.seeding         ? 
_exptl_crystal_grow.seeding_ref     ? 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.temp_esd        ? 
_exptl_crystal_grow.time            ? 
_exptl_crystal_grow.pdbx_details    '0.2M ammonium acetate, 0.1M sodium citrate pH5.6, 32% PEG4000, 0.005M magnesium chloride' 
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            293.0 
# 
_diffrn.ambient_environment              ? 
_diffrn.ambient_temp                     100 
_diffrn.ambient_temp_details             ? 
_diffrn.ambient_temp_esd                 ? 
_diffrn.crystal_id                       1 
_diffrn.crystal_support                  ? 
_diffrn.crystal_treatment                ? 
_diffrn.details                          ? 
_diffrn.id                               1 
_diffrn.ambient_pressure                 ? 
_diffrn.ambient_pressure_esd             ? 
_diffrn.ambient_pressure_gt              ? 
_diffrn.ambient_pressure_lt              ? 
_diffrn.ambient_temp_gt                  ? 
_diffrn.ambient_temp_lt                  ? 
_diffrn.pdbx_serial_crystal_experiment   N 
# 
_diffrn_detector.details                      ? 
_diffrn_detector.detector                     PIXEL 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         'DECTRIS PILATUS3 6M' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2024-10-18 
_diffrn_detector.pdbx_frequency               ? 
_diffrn_detector.id                           ? 
_diffrn_detector.number_of_axes               ? 
# 
_diffrn_radiation.collimation                      ? 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.filter_edge                      ? 
_diffrn_radiation.inhomogeneity                    ? 
_diffrn_radiation.monochromator                    'Double-crystal, Si(111)' 
_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   1.00003 
_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                      SYNCHROTRON 
_diffrn_source.target                      ? 
_diffrn_source.type                        'ALS BEAMLINE 5.0.2' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        1.00003 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   5.0.2 
_diffrn_source.pdbx_synchrotron_site       ALS 
# 
_reflns.B_iso_Wilson_estimate                          ? 
_reflns.entry_id                                       9E9I 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.18 
_reflns.d_resolution_low                               50.0 
_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                                     111983 
_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                           93.9 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                2.6 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          10.24 
_reflns.pdbx_res_netI_over_av_sigmaI_2                 ? 
_reflns.pdbx_res_netI_over_sigmaI_2                    ? 
_reflns.pdbx_chi_squared                               ? 
_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                                ? 
_reflns.pdbx_Rpim_I_all                                ? 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       ? 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   0.995 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              0.056 
_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                                    1.18 
_reflns_shell.d_res_low                                     1.25 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           2.85 
_reflns_shell.number_measured_all                           ? 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             15244 
_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                               2.1 
_reflns_shell.pdbx_chi_squared                              ? 
_reflns_shell.pdbx_netI_over_sigmaI_all                     ? 
_reflns_shell.pdbx_netI_over_sigmaI_obs                     ? 
_reflns_shell.pdbx_Rrim_I_all                               ? 
_reflns_shell.pdbx_Rpim_I_all                               ? 
_reflns_shell.pdbx_rejects                                  ? 
_reflns_shell.pdbx_ordinal                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  0.925 
_reflns_shell.pdbx_CC_star                                  ? 
_reflns_shell.pdbx_R_split                                  ? 
_reflns_shell.percent_possible_all                          79.1 
_reflns_shell.Rmerge_I_all                                  ? 
_reflns_shell.Rmerge_I_obs                                  0.208 
_reflns_shell.pdbx_Rsym_value                               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal             ? 
_reflns_shell.pdbx_percent_possible_spherical               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal_anomalous   ? 
_reflns_shell.pdbx_percent_possible_spherical_anomalous     ? 
_reflns_shell.pdbx_redundancy_anomalous                     ? 
_reflns_shell.pdbx_CC_half_anomalous                        ? 
_reflns_shell.pdbx_absDiff_over_sigma_anomalous             ? 
_reflns_shell.pdbx_percent_possible_anomalous               ? 
# 
_refine.aniso_B[1][1]                            0.44 
_refine.aniso_B[1][2]                            0.00 
_refine.aniso_B[1][3]                            0.03 
_refine.aniso_B[2][2]                            -0.02 
_refine.aniso_B[2][3]                            -0.00 
_refine.aniso_B[3][3]                            -0.40 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               14.673 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               0.970 
_refine.correlation_coeff_Fo_to_Fc_free          0.962 
_refine.details                                  'HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS' 
_refine.diff_density_max                         ? 
_refine.diff_density_max_esd                     ? 
_refine.diff_density_min                         ? 
_refine.diff_density_min_esd                     ? 
_refine.diff_density_rms                         ? 
_refine.diff_density_rms_esd                     ? 
_refine.entry_id                                 9E9I 
_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                            1.18 
_refine.ls_d_res_low                             30.00 
_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                     55366 
_refine.ls_number_reflns_R_free                  2803 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    95.45 
_refine.ls_percent_reflns_R_free                 4.8 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.17828 
_refine.ls_R_factor_R_free                       0.19863 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.17724 
_refine.ls_R_Fsqd_factor_obs                     ? 
_refine.ls_R_I_factor_obs                        ? 
_refine.ls_redundancy_reflns_all                 ? 
_refine.ls_redundancy_reflns_obs                 ? 
_refine.ls_restrained_S_all                      ? 
_refine.ls_restrained_S_obs                      ? 
_refine.ls_shift_over_esd_max                    ? 
_refine.ls_shift_over_esd_mean                   ? 
_refine.ls_structure_factor_coef                 ? 
_refine.ls_weighting_details                     ? 
_refine.ls_weighting_scheme                      ? 
_refine.ls_wR_factor_all                         ? 
_refine.ls_wR_factor_obs                         ? 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_wR_factor_R_work                      ? 
_refine.occupancy_max                            ? 
_refine.occupancy_min                            ? 
_refine.solvent_model_details                    MASK 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_R_complete                          ? 
_refine.ls_R_factor_gt                           ? 
_refine.ls_goodness_of_fit_gt                    ? 
_refine.ls_goodness_of_fit_ref                   ? 
_refine.ls_shift_over_su_max                     ? 
_refine.ls_shift_over_su_max_lt                  ? 
_refine.ls_shift_over_su_mean                    ? 
_refine.ls_shift_over_su_mean_lt                 ? 
_refine.pdbx_ls_sigma_I                          ? 
_refine.pdbx_ls_sigma_F                          ? 
_refine.pdbx_ls_sigma_Fsqd                       ? 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.pdbx_ls_cross_valid_method               THROUGHOUT 
_refine.pdbx_method_to_determine_struct          'MOLECULAR REPLACEMENT' 
_refine.pdbx_starting_model                      ? 
_refine.pdbx_stereochemistry_target_values       'MAXIMUM LIKELIHOOD' 
_refine.pdbx_R_Free_selection_details            RANDOM 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_overall_ESU_R                       0.039 
_refine.pdbx_overall_ESU_R_Free                  0.041 
_refine.pdbx_solvent_vdw_probe_radii             1.20 
_refine.pdbx_solvent_ion_probe_radii             0.80 
_refine.pdbx_solvent_shrinkage_radii             0.80 
_refine.pdbx_real_space_R                        ? 
_refine.pdbx_density_correlation                 ? 
_refine.pdbx_pd_number_of_powder_patterns        ? 
_refine.pdbx_pd_number_of_points                 ? 
_refine.pdbx_pd_meas_number_of_points            ? 
_refine.pdbx_pd_proc_ls_prof_R_factor            ? 
_refine.pdbx_pd_proc_ls_prof_wR_factor           ? 
_refine.pdbx_pd_Marquardt_correlation_coeff      ? 
_refine.pdbx_pd_Fsqrd_R_factor                   ? 
_refine.pdbx_pd_ls_matrix_band_width             ? 
_refine.pdbx_overall_phase_error                 ? 
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI   ? 
_refine.pdbx_overall_SU_R_free_Blow_DPI          ? 
_refine.pdbx_overall_SU_R_Blow_DPI               ? 
_refine.pdbx_TLS_residual_ADP_flag               ? 
_refine.pdbx_diffrn_id                           1 
_refine.overall_SU_B                             0.534 
_refine.overall_SU_ML                            0.025 
_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                         1 
_refine_hist.details                          ? 
_refine_hist.d_res_high                       1.18 
_refine_hist.d_res_low                        30.00 
_refine_hist.number_atoms_solvent             182 
_refine_hist.number_atoms_total               1602 
_refine_hist.number_reflns_all                ? 
_refine_hist.number_reflns_obs                ? 
_refine_hist.number_reflns_R_free             ? 
_refine_hist.number_reflns_R_work             ? 
_refine_hist.R_factor_all                     ? 
_refine_hist.R_factor_obs                     ? 
_refine_hist.R_factor_R_free                  ? 
_refine_hist.R_factor_R_work                  ? 
_refine_hist.pdbx_number_residues_total       ? 
_refine_hist.pdbx_B_iso_mean_ligand           ? 
_refine_hist.pdbx_B_iso_mean_solvent          ? 
_refine_hist.pdbx_number_atoms_protein        1342 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         78 
_refine_hist.pdbx_number_atoms_lipid          ? 
_refine_hist.pdbx_number_atoms_carb           ? 
_refine_hist.pdbx_pseudo_atom_details         ? 
# 
loop_
_refine_ls_restr.pdbx_refine_id 
_refine_ls_restr.criterion 
_refine_ls_restr.dev_ideal 
_refine_ls_restr.dev_ideal_target 
_refine_ls_restr.number 
_refine_ls_restr.rejects 
_refine_ls_restr.type 
_refine_ls_restr.weight 
_refine_ls_restr.pdbx_restraint_function 
'X-RAY DIFFRACTION' ? 0.006  0.013  1479 ? r_bond_refined_d             ? ? 
'X-RAY DIFFRACTION' ? 0.002  0.015  1364 ? r_bond_other_d               ? ? 
'X-RAY DIFFRACTION' ? 1.392  1.730  2005 ? r_angle_refined_deg          ? ? 
'X-RAY DIFFRACTION' ? 1.304  1.616  3106 ? r_angle_other_deg            ? ? 
'X-RAY DIFFRACTION' ? 6.163  5.000  175  ? r_dihedral_angle_1_deg       ? ? 
'X-RAY DIFFRACTION' ? 32.273 22.593 81   ? r_dihedral_angle_2_deg       ? ? 
'X-RAY DIFFRACTION' ? 11.513 15.000 253  ? r_dihedral_angle_3_deg       ? ? 
'X-RAY DIFFRACTION' ? 21.082 15.000 10   ? r_dihedral_angle_4_deg       ? ? 
'X-RAY DIFFRACTION' ? 0.063  0.200  194  ? r_chiral_restr               ? ? 
'X-RAY DIFFRACTION' ? 0.005  0.020  1626 ? r_gen_planes_refined         ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.020  323  ? r_gen_planes_other           ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_nbd_refined                ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_nbd_other                  ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_nbtor_refined              ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_nbtor_other                ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_xyhbond_nbd_refined        ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_xyhbond_nbd_other          ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_metal_ion_refined          ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_metal_ion_other            ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_symmetry_vdw_refined       ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_symmetry_vdw_other         ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_symmetry_hbond_refined     ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_symmetry_hbond_other       ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_symmetry_metal_ion_refined ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_symmetry_metal_ion_other   ? ? 
'X-RAY DIFFRACTION' ? 0.722  1.390  679  ? r_mcbond_it                  ? ? 
'X-RAY DIFFRACTION' ? 0.718  1.387  678  ? r_mcbond_other               ? ? 
'X-RAY DIFFRACTION' ? 1.252  2.082  849  ? r_mcangle_it                 ? ? 
'X-RAY DIFFRACTION' ? 1.251  2.086  850  ? r_mcangle_other              ? ? 
'X-RAY DIFFRACTION' ? 0.929  1.530  800  ? r_scbond_it                  ? ? 
'X-RAY DIFFRACTION' ? 0.929  1.530  801  ? r_scbond_other               ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_scangle_it                 ? ? 
'X-RAY DIFFRACTION' ? 1.491  2.240  1149 ? r_scangle_other              ? ? 
'X-RAY DIFFRACTION' ? 3.428  17.170 1703 ? r_long_range_B_refined       ? ? 
'X-RAY DIFFRACTION' ? 3.201  16.555 1665 ? r_long_range_B_other         ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_rigid_bond_restr           ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_sphericity_free            ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_sphericity_bonded          ? ? 
# 
_refine_ls_shell.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_ls_shell.d_res_high                       1.181 
_refine_ls_shell.d_res_low                        1.212 
_refine_ls_shell.number_reflns_all                ? 
_refine_ls_shell.number_reflns_obs                ? 
_refine_ls_shell.number_reflns_R_free             136 
_refine_ls_shell.number_reflns_R_work             3081 
_refine_ls_shell.percent_reflns_obs               72.19 
_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                  0.213 
_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   20 
_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                  0.209 
# 
_struct.entry_id                     9E9I 
_struct.title                        
'Crystal Structure of human KRAS G12C covalently bound to nopinone-derived naphthol compound 21' 
_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        9E9I 
_struct_keywords.text            'Inhibitor, GTPase, SIGNALING PROTEIN, ONCOPROTEIN-INHIBITOR complex' 
_struct_keywords.pdbx_keywords   'SIGNALING PROTEIN,ONCOPROTEIN/INHIBITOR' 
# 
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 3 ? 
D N N 4 ? 
E N N 5 ? 
F N N 5 ? 
G N N 5 ? 
H N N 6 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    RASK_HUMAN 
_struct_ref.pdbx_db_accession          P01116 
_struct_ref.pdbx_db_isoform            P01116-2 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;MTEYKLVVVGAGGVGKSALTIQLIQNHFVDEYDPTIEDSYRKQVVIDGETCLLDILDTAGQEEYSAMRDQYMRTGEGFLC
VFAINNTKSFEDIHHYREQIKRVKDSEDVPMVLVGNKCDLPSRTVDTKQAQDLARSYGIPFIETSAKTRQGVDDAFYTLV
REIRKHKEK
;
_struct_ref.pdbx_align_begin           1 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              9E9I 
_struct_ref_seq.pdbx_strand_id                A 
_struct_ref_seq.seq_align_beg                 16 
_struct_ref_seq.pdbx_seq_align_beg_ins_code   ? 
_struct_ref_seq.seq_align_end                 184 
_struct_ref_seq.pdbx_seq_align_end_ins_code   ? 
_struct_ref_seq.pdbx_db_accession             P01116 
_struct_ref_seq.db_align_beg                  1 
_struct_ref_seq.pdbx_db_align_beg_ins_code    ? 
_struct_ref_seq.db_align_end                  169 
_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       169 
# 
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 9E9I MET A 1   ? UNP P01116 ?   ?   'initiating methionine' -14 1  
1 9E9I LYS A 2   ? UNP P01116 ?   ?   'expression tag'        -13 2  
1 9E9I HIS A 3   ? UNP P01116 ?   ?   'expression tag'        -12 3  
1 9E9I HIS A 4   ? UNP P01116 ?   ?   'expression tag'        -11 4  
1 9E9I HIS A 5   ? UNP P01116 ?   ?   'expression tag'        -10 5  
1 9E9I HIS A 6   ? UNP P01116 ?   ?   'expression tag'        -9  6  
1 9E9I HIS A 7   ? UNP P01116 ?   ?   'expression tag'        -8  7  
1 9E9I HIS A 8   ? UNP P01116 ?   ?   'expression tag'        -7  8  
1 9E9I HIS A 9   ? UNP P01116 ?   ?   'expression tag'        -6  9  
1 9E9I LEU A 10  ? UNP P01116 ?   ?   'expression tag'        -5  10 
1 9E9I VAL A 11  ? UNP P01116 ?   ?   'expression tag'        -4  11 
1 9E9I PRO A 12  ? UNP P01116 ?   ?   'expression tag'        -3  12 
1 9E9I ARG A 13  ? UNP P01116 ?   ?   'expression tag'        -2  13 
1 9E9I GLY A 14  ? UNP P01116 ?   ?   'expression tag'        -1  14 
1 9E9I SER A 15  ? UNP P01116 ?   ?   'expression tag'        0   15 
1 9E9I CYS A 27  ? UNP P01116 GLY 12  variant                 12  16 
1 9E9I ALA A 133 ? UNP P01116 CYS 118 'engineered mutation'   118 17 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_defined_assembly 
_pdbx_struct_assembly.method_details       ? 
_pdbx_struct_assembly.oligomeric_details   monomeric 
_pdbx_struct_assembly.oligomeric_count     1 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C,D,E,F,G,H 
# 
_pdbx_struct_assembly_auth_evidence.id                     1 
_pdbx_struct_assembly_auth_evidence.assembly_id            1 
_pdbx_struct_assembly_auth_evidence.experimental_support   none 
_pdbx_struct_assembly_auth_evidence.details                ? 
# 
_pdbx_struct_oper_list.id                   1 
_pdbx_struct_oper_list.type                 'identity operation' 
_pdbx_struct_oper_list.name                 1_555 
_pdbx_struct_oper_list.symmetry_operation   x,y,z 
_pdbx_struct_oper_list.matrix[1][1]         1.0000000000 
_pdbx_struct_oper_list.matrix[1][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[1][3]         0.0000000000 
_pdbx_struct_oper_list.vector[1]            0.0000000000 
_pdbx_struct_oper_list.matrix[2][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[2][2]         1.0000000000 
_pdbx_struct_oper_list.matrix[2][3]         0.0000000000 
_pdbx_struct_oper_list.vector[2]            0.0000000000 
_pdbx_struct_oper_list.matrix[3][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][3]         1.0000000000 
_pdbx_struct_oper_list.vector[3]            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 GLY A 30  ? ASN A 41  ? GLY A 15  ASN A 26  1 ? 12 
HELX_P HELX_P2 AA2 SER A 80  ? ARG A 88  ? SER A 65  ARG A 73  1 ? 9  
HELX_P HELX_P3 AA3 ASN A 101 ? ASP A 120 ? ASN A 86  ASP A 105 1 ? 20 
HELX_P HELX_P4 AA4 ASP A 141 ? GLY A 153 ? ASP A 126 GLY A 138 1 ? 13 
HELX_P HELX_P5 AA5 GLY A 166 ? GLU A 183 ? GLY A 151 GLU A 168 1 ? 18 
# 
_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 
covale1 covale one ? A CYS 27 SG ? ? ? 1_555 D A1BH5 . C30 ? ? A CYS 12  A A1BH5 303 1_555 ? ? ? ? ? ? ? 1.808 ? ? 
metalc1 metalc ?   ? A SER 32 OG ? ? ? 1_555 B MG    . MG  ? ? A SER 17  A MG    301 1_555 ? ? ? ? ? ? ? 2.126 ? ? 
metalc2 metalc ?   ? B MG  .  MG ? ? ? 1_555 C GDP   . O2B ? ? A MG  301 A GDP   302 1_555 ? ? ? ? ? ? ? 2.124 ? ? 
metalc3 metalc ?   ? B MG  .  MG ? ? ? 1_555 H HOH   . O   ? ? A MG  301 A HOH   407 1_555 ? ? ? ? ? ? ? 2.129 ? ? 
metalc4 metalc ?   ? B MG  .  MG ? ? ? 1_555 H HOH   . O   ? ? A MG  301 A HOH   410 1_555 ? ? ? ? ? ? ? 2.128 ? ? 
metalc5 metalc ?   ? B MG  .  MG ? ? ? 1_555 H HOH   . O   ? ? A MG  301 A HOH   431 1_555 ? ? ? ? ? ? ? 2.135 ? ? 
metalc6 metalc ?   ? B MG  .  MG ? ? ? 1_555 H HOH   . O   ? ? A MG  301 A HOH   491 1_555 ? ? ? ? ? ? ? 2.158 ? ? 
# 
loop_
_struct_conn_type.id 
_struct_conn_type.criteria 
_struct_conn_type.reference 
covale ? ? 
metalc ? ? 
# 
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  OG  ? A SER 32 ? A SER 17  ? 1_555 MG ? B MG . ? A MG 301 ? 1_555 O2B ? C GDP . ? A GDP 302 ? 1_555 91.3  ? 
2  OG  ? A SER 32 ? A SER 17  ? 1_555 MG ? B MG . ? A MG 301 ? 1_555 O   ? H HOH . ? A HOH 407 ? 1_555 85.5  ? 
3  O2B ? C GDP .  ? A GDP 302 ? 1_555 MG ? B MG . ? A MG 301 ? 1_555 O   ? H HOH . ? A HOH 407 ? 1_555 93.8  ? 
4  OG  ? A SER 32 ? A SER 17  ? 1_555 MG ? B MG . ? A MG 301 ? 1_555 O   ? H HOH . ? A HOH 410 ? 1_555 94.0  ? 
5  O2B ? C GDP .  ? A GDP 302 ? 1_555 MG ? B MG . ? A MG 301 ? 1_555 O   ? H HOH . ? A HOH 410 ? 1_555 85.7  ? 
6  O   ? H HOH .  ? A HOH 407 ? 1_555 MG ? B MG . ? A MG 301 ? 1_555 O   ? H HOH . ? A HOH 410 ? 1_555 179.2 ? 
7  OG  ? A SER 32 ? A SER 17  ? 1_555 MG ? B MG . ? A MG 301 ? 1_555 O   ? H HOH . ? A HOH 431 ? 1_555 177.9 ? 
8  O2B ? C GDP .  ? A GDP 302 ? 1_555 MG ? B MG . ? A MG 301 ? 1_555 O   ? H HOH . ? A HOH 431 ? 1_555 89.5  ? 
9  O   ? H HOH .  ? A HOH 407 ? 1_555 MG ? B MG . ? A MG 301 ? 1_555 O   ? H HOH . ? A HOH 431 ? 1_555 92.5  ? 
10 O   ? H HOH .  ? A HOH 410 ? 1_555 MG ? B MG . ? A MG 301 ? 1_555 O   ? H HOH . ? A HOH 431 ? 1_555 88.1  ? 
11 OG  ? A SER 32 ? A SER 17  ? 1_555 MG ? B MG . ? A MG 301 ? 1_555 O   ? H HOH . ? A HOH 491 ? 1_555 88.0  ? 
12 O2B ? C GDP .  ? A GDP 302 ? 1_555 MG ? B MG . ? A MG 301 ? 1_555 O   ? H HOH . ? A HOH 491 ? 1_555 173.8 ? 
13 O   ? H HOH .  ? A HOH 407 ? 1_555 MG ? B MG . ? A MG 301 ? 1_555 O   ? H HOH . ? A HOH 491 ? 1_555 92.3  ? 
14 O   ? H HOH .  ? A HOH 410 ? 1_555 MG ? B MG . ? A MG 301 ? 1_555 O   ? H HOH . ? A HOH 491 ? 1_555 88.2  ? 
15 O   ? H HOH .  ? A HOH 431 ? 1_555 MG ? B MG . ? A MG 301 ? 1_555 O   ? H HOH . ? A HOH 491 ? 1_555 91.4  ? 
# 
_pdbx_modification_feature.ordinal                            1 
_pdbx_modification_feature.label_comp_id                      A1BH5 
_pdbx_modification_feature.label_asym_id                      D 
_pdbx_modification_feature.label_seq_id                       . 
_pdbx_modification_feature.label_alt_id                       ? 
_pdbx_modification_feature.modified_residue_label_comp_id     CYS 
_pdbx_modification_feature.modified_residue_label_asym_id     A 
_pdbx_modification_feature.modified_residue_label_seq_id      27 
_pdbx_modification_feature.modified_residue_label_alt_id      ? 
_pdbx_modification_feature.auth_comp_id                       A1BH5 
_pdbx_modification_feature.auth_asym_id                       A 
_pdbx_modification_feature.auth_seq_id                        303 
_pdbx_modification_feature.PDB_ins_code                       ? 
_pdbx_modification_feature.symmetry                           1_555 
_pdbx_modification_feature.modified_residue_auth_comp_id      CYS 
_pdbx_modification_feature.modified_residue_auth_asym_id      A 
_pdbx_modification_feature.modified_residue_auth_seq_id       12 
_pdbx_modification_feature.modified_residue_PDB_ins_code      ? 
_pdbx_modification_feature.modified_residue_symmetry          1_555 
_pdbx_modification_feature.comp_id_linking_atom               C30 
_pdbx_modification_feature.modified_residue_id_linking_atom   SG 
_pdbx_modification_feature.modified_residue_id                CYS 
_pdbx_modification_feature.ref_pcm_id                         1 
_pdbx_modification_feature.ref_comp_id                        A1BH5 
_pdbx_modification_feature.type                               None 
_pdbx_modification_feature.category                           'Covalent chemical modification' 
# 
_struct_sheet.id               AA1 
_struct_sheet.type             ? 
_struct_sheet.number_strands   6 
_struct_sheet.details          ? 
# 
loop_
_struct_sheet_order.sheet_id 
_struct_sheet_order.range_id_1 
_struct_sheet_order.range_id_2 
_struct_sheet_order.offset 
_struct_sheet_order.sense 
AA1 1 2 ? anti-parallel 
AA1 2 3 ? parallel      
AA1 3 4 ? parallel      
AA1 4 5 ? parallel      
AA1 5 6 ? parallel      
# 
loop_
_struct_sheet_range.sheet_id 
_struct_sheet_range.id 
_struct_sheet_range.beg_label_comp_id 
_struct_sheet_range.beg_label_asym_id 
_struct_sheet_range.beg_label_seq_id 
_struct_sheet_range.pdbx_beg_PDB_ins_code 
_struct_sheet_range.end_label_comp_id 
_struct_sheet_range.end_label_asym_id 
_struct_sheet_range.end_label_seq_id 
_struct_sheet_range.pdbx_end_PDB_ins_code 
_struct_sheet_range.beg_auth_comp_id 
_struct_sheet_range.beg_auth_asym_id 
_struct_sheet_range.beg_auth_seq_id 
_struct_sheet_range.end_auth_comp_id 
_struct_sheet_range.end_auth_asym_id 
_struct_sheet_range.end_auth_seq_id 
AA1 1 ASP A 53  ? ILE A 61  ? ASP A 38  ILE A 46  
AA1 2 GLU A 64  ? ASP A 72  ? GLU A 49  ASP A 57  
AA1 3 THR A 17  ? VAL A 24  ? THR A 2   VAL A 9   
AA1 4 GLY A 92  ? ALA A 98  ? GLY A 77  ALA A 83  
AA1 5 MET A 126 ? ASN A 131 ? MET A 111 ASN A 116 
AA1 6 PHE A 156 ? GLU A 158 ? PHE A 141 GLU A 143 
# 
loop_
_pdbx_struct_sheet_hbond.sheet_id 
_pdbx_struct_sheet_hbond.range_id_1 
_pdbx_struct_sheet_hbond.range_id_2 
_pdbx_struct_sheet_hbond.range_1_label_atom_id 
_pdbx_struct_sheet_hbond.range_1_label_comp_id 
_pdbx_struct_sheet_hbond.range_1_label_asym_id 
_pdbx_struct_sheet_hbond.range_1_label_seq_id 
_pdbx_struct_sheet_hbond.range_1_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_1_auth_atom_id 
_pdbx_struct_sheet_hbond.range_1_auth_comp_id 
_pdbx_struct_sheet_hbond.range_1_auth_asym_id 
_pdbx_struct_sheet_hbond.range_1_auth_seq_id 
_pdbx_struct_sheet_hbond.range_2_label_atom_id 
_pdbx_struct_sheet_hbond.range_2_label_comp_id 
_pdbx_struct_sheet_hbond.range_2_label_asym_id 
_pdbx_struct_sheet_hbond.range_2_label_seq_id 
_pdbx_struct_sheet_hbond.range_2_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_2_auth_atom_id 
_pdbx_struct_sheet_hbond.range_2_auth_comp_id 
_pdbx_struct_sheet_hbond.range_2_auth_asym_id 
_pdbx_struct_sheet_hbond.range_2_auth_seq_id 
AA1 1 2 N VAL A 59  ? N VAL A 44  O CYS A 66  ? O CYS A 51  
AA1 2 3 O LEU A 71  ? O LEU A 56  N VAL A 23  ? N VAL A 8   
AA1 3 4 N VAL A 24  ? N VAL A 9   O VAL A 96  ? O VAL A 81  
AA1 4 5 N PHE A 97  ? N PHE A 82  O ASN A 131 ? O ASN A 116 
AA1 5 6 N LEU A 128 ? N LEU A 113 O ILE A 157 ? O ILE A 142 
# 
_pdbx_entry_details.entry_id                   9E9I 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.has_ligand_of_interest     Y 
_pdbx_entry_details.has_protein_modification   Y 
# 
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 LYS A 117 ? ? 72.68 35.43 
2 1 ARG A 149 ? ? 86.70 -0.66 
# 
loop_
_pdbx_unobs_or_zero_occ_residues.id 
_pdbx_unobs_or_zero_occ_residues.PDB_model_num 
_pdbx_unobs_or_zero_occ_residues.polymer_flag 
_pdbx_unobs_or_zero_occ_residues.occupancy_flag 
_pdbx_unobs_or_zero_occ_residues.auth_asym_id 
_pdbx_unobs_or_zero_occ_residues.auth_comp_id 
_pdbx_unobs_or_zero_occ_residues.auth_seq_id 
_pdbx_unobs_or_zero_occ_residues.PDB_ins_code 
_pdbx_unobs_or_zero_occ_residues.label_asym_id 
_pdbx_unobs_or_zero_occ_residues.label_comp_id 
_pdbx_unobs_or_zero_occ_residues.label_seq_id 
1  1 Y 1 A MET -14 ? A MET 1   
2  1 Y 1 A LYS -13 ? A LYS 2   
3  1 Y 1 A HIS -12 ? A HIS 3   
4  1 Y 1 A HIS -11 ? A HIS 4   
5  1 Y 1 A HIS -10 ? A HIS 5   
6  1 Y 1 A HIS -9  ? A HIS 6   
7  1 Y 1 A HIS -8  ? A HIS 7   
8  1 Y 1 A HIS -7  ? A HIS 8   
9  1 Y 1 A HIS -6  ? A HIS 9   
10 1 Y 1 A LEU -5  ? A LEU 10  
11 1 Y 1 A VAL -4  ? A VAL 11  
12 1 Y 1 A PRO -3  ? A PRO 12  
13 1 Y 1 A ARG -2  ? A ARG 13  
14 1 Y 1 A GLY -1  ? A GLY 14  
15 1 Y 1 A SER 0   ? A SER 15  
16 1 Y 1 A LYS 169 ? A LYS 184 
# 
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 
A1BH5 C30    C  N N 1   
A1BH5 C29    C  N N 2   
A1BH5 C31    C  N N 3   
A1BH5 O2     O  N N 4   
A1BH5 N3     N  N N 5   
A1BH5 C17    C  N N 6   
A1BH5 C16    C  N N 7   
A1BH5 C12    C  N N 8   
A1BH5 C13    C  N N 9   
A1BH5 C11    C  N N 10  
A1BH5 C10    C  N N 11  
A1BH5 N2     N  N N 12  
A1BH5 C9     C  Y N 13  
A1BH5 C8     C  Y N 14  
A1BH5 F1     F  N N 15  
A1BH5 N1     N  Y N 16  
A1BH5 C6     C  Y N 17  
A1BH5 C1     C  N R 18  
A1BH5 C2     C  N N 19  
A1BH5 C15    C  N N 20  
A1BH5 C14    C  N N 21  
A1BH5 C18    C  N N 22  
A1BH5 C3     C  N R 23  
A1BH5 C4     C  N N 24  
A1BH5 C5     C  Y N 25  
A1BH5 C7     C  Y N 26  
A1BH5 C19    C  Y N 27  
A1BH5 C20    C  Y N 28  
A1BH5 C28    C  Y N 29  
A1BH5 C27    C  Y N 30  
A1BH5 C26    C  Y N 31  
A1BH5 C25    C  Y N 32  
A1BH5 C24    C  Y N 33  
A1BH5 C23    C  Y N 34  
A1BH5 C22    C  Y N 35  
A1BH5 C21    C  Y N 36  
A1BH5 O1     O  N N 37  
A1BH5 H1     H  N N 38  
A1BH5 H2     H  N N 39  
A1BH5 H3     H  N N 40  
A1BH5 H4     H  N N 41  
A1BH5 H5     H  N N 42  
A1BH5 H6     H  N N 43  
A1BH5 H7     H  N N 44  
A1BH5 H8     H  N N 45  
A1BH5 H9     H  N N 46  
A1BH5 H10    H  N N 47  
A1BH5 H11    H  N N 48  
A1BH5 H12    H  N N 49  
A1BH5 H13    H  N N 50  
A1BH5 H14    H  N N 51  
A1BH5 H15    H  N N 52  
A1BH5 H16    H  N N 53  
A1BH5 H17    H  N N 54  
A1BH5 H18    H  N N 55  
A1BH5 H19    H  N N 56  
A1BH5 H20    H  N N 57  
A1BH5 H21    H  N N 58  
A1BH5 H22    H  N N 59  
A1BH5 H23    H  N N 60  
A1BH5 H24    H  N N 61  
A1BH5 H25    H  N N 62  
A1BH5 H26    H  N N 63  
A1BH5 H27    H  N N 64  
A1BH5 H28    H  N N 65  
A1BH5 H29    H  N N 66  
A1BH5 H30    H  N N 67  
A1BH5 H31    H  N N 68  
A1BH5 H32    H  N N 69  
A1BH5 H33    H  N N 70  
A1BH5 H34    H  N N 71  
ALA   N      N  N N 72  
ALA   CA     C  N S 73  
ALA   C      C  N N 74  
ALA   O      O  N N 75  
ALA   CB     C  N N 76  
ALA   OXT    O  N N 77  
ALA   H      H  N N 78  
ALA   H2     H  N N 79  
ALA   HA     H  N N 80  
ALA   HB1    H  N N 81  
ALA   HB2    H  N N 82  
ALA   HB3    H  N N 83  
ALA   HXT    H  N N 84  
ARG   N      N  N N 85  
ARG   CA     C  N S 86  
ARG   C      C  N N 87  
ARG   O      O  N N 88  
ARG   CB     C  N N 89  
ARG   CG     C  N N 90  
ARG   CD     C  N N 91  
ARG   NE     N  N N 92  
ARG   CZ     C  N N 93  
ARG   NH1    N  N N 94  
ARG   NH2    N  N N 95  
ARG   OXT    O  N N 96  
ARG   H      H  N N 97  
ARG   H2     H  N N 98  
ARG   HA     H  N N 99  
ARG   HB2    H  N N 100 
ARG   HB3    H  N N 101 
ARG   HG2    H  N N 102 
ARG   HG3    H  N N 103 
ARG   HD2    H  N N 104 
ARG   HD3    H  N N 105 
ARG   HE     H  N N 106 
ARG   HH11   H  N N 107 
ARG   HH12   H  N N 108 
ARG   HH21   H  N N 109 
ARG   HH22   H  N N 110 
ARG   HXT    H  N N 111 
ASN   N      N  N N 112 
ASN   CA     C  N S 113 
ASN   C      C  N N 114 
ASN   O      O  N N 115 
ASN   CB     C  N N 116 
ASN   CG     C  N N 117 
ASN   OD1    O  N N 118 
ASN   ND2    N  N N 119 
ASN   OXT    O  N N 120 
ASN   H      H  N N 121 
ASN   H2     H  N N 122 
ASN   HA     H  N N 123 
ASN   HB2    H  N N 124 
ASN   HB3    H  N N 125 
ASN   HD21   H  N N 126 
ASN   HD22   H  N N 127 
ASN   HXT    H  N N 128 
ASP   N      N  N N 129 
ASP   CA     C  N S 130 
ASP   C      C  N N 131 
ASP   O      O  N N 132 
ASP   CB     C  N N 133 
ASP   CG     C  N N 134 
ASP   OD1    O  N N 135 
ASP   OD2    O  N N 136 
ASP   OXT    O  N N 137 
ASP   H      H  N N 138 
ASP   H2     H  N N 139 
ASP   HA     H  N N 140 
ASP   HB2    H  N N 141 
ASP   HB3    H  N N 142 
ASP   HD2    H  N N 143 
ASP   HXT    H  N N 144 
CYS   N      N  N N 145 
CYS   CA     C  N R 146 
CYS   C      C  N N 147 
CYS   O      O  N N 148 
CYS   CB     C  N N 149 
CYS   SG     S  N N 150 
CYS   OXT    O  N N 151 
CYS   H      H  N N 152 
CYS   H2     H  N N 153 
CYS   HA     H  N N 154 
CYS   HB2    H  N N 155 
CYS   HB3    H  N N 156 
CYS   HG     H  N N 157 
CYS   HXT    H  N N 158 
EDO   C1     C  N N 159 
EDO   O1     O  N N 160 
EDO   C2     C  N N 161 
EDO   O2     O  N N 162 
EDO   H11    H  N N 163 
EDO   H12    H  N N 164 
EDO   HO1    H  N N 165 
EDO   H21    H  N N 166 
EDO   H22    H  N N 167 
EDO   HO2    H  N N 168 
GDP   PB     P  N N 169 
GDP   O1B    O  N N 170 
GDP   O2B    O  N N 171 
GDP   O3B    O  N N 172 
GDP   O3A    O  N N 173 
GDP   PA     P  N N 174 
GDP   O1A    O  N N 175 
GDP   O2A    O  N N 176 
GDP   "O5'"  O  N N 177 
GDP   "C5'"  C  N N 178 
GDP   "C4'"  C  N R 179 
GDP   "O4'"  O  N N 180 
GDP   "C3'"  C  N S 181 
GDP   "O3'"  O  N N 182 
GDP   "C2'"  C  N R 183 
GDP   "O2'"  O  N N 184 
GDP   "C1'"  C  N R 185 
GDP   N9     N  Y N 186 
GDP   C8     C  Y N 187 
GDP   N7     N  Y N 188 
GDP   C5     C  Y N 189 
GDP   C6     C  N N 190 
GDP   O6     O  N N 191 
GDP   N1     N  N N 192 
GDP   C2     C  N N 193 
GDP   N2     N  N N 194 
GDP   N3     N  N N 195 
GDP   C4     C  Y N 196 
GDP   HOB2   H  N N 197 
GDP   HOB3   H  N N 198 
GDP   HOA2   H  N N 199 
GDP   "H5'"  H  N N 200 
GDP   "H5''" H  N N 201 
GDP   "H4'"  H  N N 202 
GDP   "H3'"  H  N N 203 
GDP   "HO3'" H  N N 204 
GDP   "H2'"  H  N N 205 
GDP   "HO2'" H  N N 206 
GDP   "H1'"  H  N N 207 
GDP   H8     H  N N 208 
GDP   HN1    H  N N 209 
GDP   HN21   H  N N 210 
GDP   HN22   H  N N 211 
GLN   N      N  N N 212 
GLN   CA     C  N S 213 
GLN   C      C  N N 214 
GLN   O      O  N N 215 
GLN   CB     C  N N 216 
GLN   CG     C  N N 217 
GLN   CD     C  N N 218 
GLN   OE1    O  N N 219 
GLN   NE2    N  N N 220 
GLN   OXT    O  N N 221 
GLN   H      H  N N 222 
GLN   H2     H  N N 223 
GLN   HA     H  N N 224 
GLN   HB2    H  N N 225 
GLN   HB3    H  N N 226 
GLN   HG2    H  N N 227 
GLN   HG3    H  N N 228 
GLN   HE21   H  N N 229 
GLN   HE22   H  N N 230 
GLN   HXT    H  N N 231 
GLU   N      N  N N 232 
GLU   CA     C  N S 233 
GLU   C      C  N N 234 
GLU   O      O  N N 235 
GLU   CB     C  N N 236 
GLU   CG     C  N N 237 
GLU   CD     C  N N 238 
GLU   OE1    O  N N 239 
GLU   OE2    O  N N 240 
GLU   OXT    O  N N 241 
GLU   H      H  N N 242 
GLU   H2     H  N N 243 
GLU   HA     H  N N 244 
GLU   HB2    H  N N 245 
GLU   HB3    H  N N 246 
GLU   HG2    H  N N 247 
GLU   HG3    H  N N 248 
GLU   HE2    H  N N 249 
GLU   HXT    H  N N 250 
GLY   N      N  N N 251 
GLY   CA     C  N N 252 
GLY   C      C  N N 253 
GLY   O      O  N N 254 
GLY   OXT    O  N N 255 
GLY   H      H  N N 256 
GLY   H2     H  N N 257 
GLY   HA2    H  N N 258 
GLY   HA3    H  N N 259 
GLY   HXT    H  N N 260 
HIS   N      N  N N 261 
HIS   CA     C  N S 262 
HIS   C      C  N N 263 
HIS   O      O  N N 264 
HIS   CB     C  N N 265 
HIS   CG     C  Y N 266 
HIS   ND1    N  Y N 267 
HIS   CD2    C  Y N 268 
HIS   CE1    C  Y N 269 
HIS   NE2    N  Y N 270 
HIS   OXT    O  N N 271 
HIS   H      H  N N 272 
HIS   H2     H  N N 273 
HIS   HA     H  N N 274 
HIS   HB2    H  N N 275 
HIS   HB3    H  N N 276 
HIS   HD1    H  N N 277 
HIS   HD2    H  N N 278 
HIS   HE1    H  N N 279 
HIS   HE2    H  N N 280 
HIS   HXT    H  N N 281 
HOH   O      O  N N 282 
HOH   H1     H  N N 283 
HOH   H2     H  N N 284 
ILE   N      N  N N 285 
ILE   CA     C  N S 286 
ILE   C      C  N N 287 
ILE   O      O  N N 288 
ILE   CB     C  N S 289 
ILE   CG1    C  N N 290 
ILE   CG2    C  N N 291 
ILE   CD1    C  N N 292 
ILE   OXT    O  N N 293 
ILE   H      H  N N 294 
ILE   H2     H  N N 295 
ILE   HA     H  N N 296 
ILE   HB     H  N N 297 
ILE   HG12   H  N N 298 
ILE   HG13   H  N N 299 
ILE   HG21   H  N N 300 
ILE   HG22   H  N N 301 
ILE   HG23   H  N N 302 
ILE   HD11   H  N N 303 
ILE   HD12   H  N N 304 
ILE   HD13   H  N N 305 
ILE   HXT    H  N N 306 
LEU   N      N  N N 307 
LEU   CA     C  N S 308 
LEU   C      C  N N 309 
LEU   O      O  N N 310 
LEU   CB     C  N N 311 
LEU   CG     C  N N 312 
LEU   CD1    C  N N 313 
LEU   CD2    C  N N 314 
LEU   OXT    O  N N 315 
LEU   H      H  N N 316 
LEU   H2     H  N N 317 
LEU   HA     H  N N 318 
LEU   HB2    H  N N 319 
LEU   HB3    H  N N 320 
LEU   HG     H  N N 321 
LEU   HD11   H  N N 322 
LEU   HD12   H  N N 323 
LEU   HD13   H  N N 324 
LEU   HD21   H  N N 325 
LEU   HD22   H  N N 326 
LEU   HD23   H  N N 327 
LEU   HXT    H  N N 328 
LYS   N      N  N N 329 
LYS   CA     C  N S 330 
LYS   C      C  N N 331 
LYS   O      O  N N 332 
LYS   CB     C  N N 333 
LYS   CG     C  N N 334 
LYS   CD     C  N N 335 
LYS   CE     C  N N 336 
LYS   NZ     N  N N 337 
LYS   OXT    O  N N 338 
LYS   H      H  N N 339 
LYS   H2     H  N N 340 
LYS   HA     H  N N 341 
LYS   HB2    H  N N 342 
LYS   HB3    H  N N 343 
LYS   HG2    H  N N 344 
LYS   HG3    H  N N 345 
LYS   HD2    H  N N 346 
LYS   HD3    H  N N 347 
LYS   HE2    H  N N 348 
LYS   HE3    H  N N 349 
LYS   HZ1    H  N N 350 
LYS   HZ2    H  N N 351 
LYS   HZ3    H  N N 352 
LYS   HXT    H  N N 353 
MET   N      N  N N 354 
MET   CA     C  N S 355 
MET   C      C  N N 356 
MET   O      O  N N 357 
MET   CB     C  N N 358 
MET   CG     C  N N 359 
MET   SD     S  N N 360 
MET   CE     C  N N 361 
MET   OXT    O  N N 362 
MET   H      H  N N 363 
MET   H2     H  N N 364 
MET   HA     H  N N 365 
MET   HB2    H  N N 366 
MET   HB3    H  N N 367 
MET   HG2    H  N N 368 
MET   HG3    H  N N 369 
MET   HE1    H  N N 370 
MET   HE2    H  N N 371 
MET   HE3    H  N N 372 
MET   HXT    H  N N 373 
MG    MG     MG N N 374 
PHE   N      N  N N 375 
PHE   CA     C  N S 376 
PHE   C      C  N N 377 
PHE   O      O  N N 378 
PHE   CB     C  N N 379 
PHE   CG     C  Y N 380 
PHE   CD1    C  Y N 381 
PHE   CD2    C  Y N 382 
PHE   CE1    C  Y N 383 
PHE   CE2    C  Y N 384 
PHE   CZ     C  Y N 385 
PHE   OXT    O  N N 386 
PHE   H      H  N N 387 
PHE   H2     H  N N 388 
PHE   HA     H  N N 389 
PHE   HB2    H  N N 390 
PHE   HB3    H  N N 391 
PHE   HD1    H  N N 392 
PHE   HD2    H  N N 393 
PHE   HE1    H  N N 394 
PHE   HE2    H  N N 395 
PHE   HZ     H  N N 396 
PHE   HXT    H  N N 397 
PRO   N      N  N N 398 
PRO   CA     C  N S 399 
PRO   C      C  N N 400 
PRO   O      O  N N 401 
PRO   CB     C  N N 402 
PRO   CG     C  N N 403 
PRO   CD     C  N N 404 
PRO   OXT    O  N N 405 
PRO   H      H  N N 406 
PRO   HA     H  N N 407 
PRO   HB2    H  N N 408 
PRO   HB3    H  N N 409 
PRO   HG2    H  N N 410 
PRO   HG3    H  N N 411 
PRO   HD2    H  N N 412 
PRO   HD3    H  N N 413 
PRO   HXT    H  N N 414 
SER   N      N  N N 415 
SER   CA     C  N S 416 
SER   C      C  N N 417 
SER   O      O  N N 418 
SER   CB     C  N N 419 
SER   OG     O  N N 420 
SER   OXT    O  N N 421 
SER   H      H  N N 422 
SER   H2     H  N N 423 
SER   HA     H  N N 424 
SER   HB2    H  N N 425 
SER   HB3    H  N N 426 
SER   HG     H  N N 427 
SER   HXT    H  N N 428 
THR   N      N  N N 429 
THR   CA     C  N S 430 
THR   C      C  N N 431 
THR   O      O  N N 432 
THR   CB     C  N R 433 
THR   OG1    O  N N 434 
THR   CG2    C  N N 435 
THR   OXT    O  N N 436 
THR   H      H  N N 437 
THR   H2     H  N N 438 
THR   HA     H  N N 439 
THR   HB     H  N N 440 
THR   HG1    H  N N 441 
THR   HG21   H  N N 442 
THR   HG22   H  N N 443 
THR   HG23   H  N N 444 
THR   HXT    H  N N 445 
TYR   N      N  N N 446 
TYR   CA     C  N S 447 
TYR   C      C  N N 448 
TYR   O      O  N N 449 
TYR   CB     C  N N 450 
TYR   CG     C  Y N 451 
TYR   CD1    C  Y N 452 
TYR   CD2    C  Y N 453 
TYR   CE1    C  Y N 454 
TYR   CE2    C  Y N 455 
TYR   CZ     C  Y N 456 
TYR   OH     O  N N 457 
TYR   OXT    O  N N 458 
TYR   H      H  N N 459 
TYR   H2     H  N N 460 
TYR   HA     H  N N 461 
TYR   HB2    H  N N 462 
TYR   HB3    H  N N 463 
TYR   HD1    H  N N 464 
TYR   HD2    H  N N 465 
TYR   HE1    H  N N 466 
TYR   HE2    H  N N 467 
TYR   HH     H  N N 468 
TYR   HXT    H  N N 469 
VAL   N      N  N N 470 
VAL   CA     C  N S 471 
VAL   C      C  N N 472 
VAL   O      O  N N 473 
VAL   CB     C  N N 474 
VAL   CG1    C  N N 475 
VAL   CG2    C  N N 476 
VAL   OXT    O  N N 477 
VAL   H      H  N N 478 
VAL   H2     H  N N 479 
VAL   HA     H  N N 480 
VAL   HB     H  N N 481 
VAL   HG11   H  N N 482 
VAL   HG12   H  N N 483 
VAL   HG13   H  N N 484 
VAL   HG21   H  N N 485 
VAL   HG22   H  N N 486 
VAL   HG23   H  N N 487 
VAL   HXT    H  N N 488 
# 
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 
A1BH5 C15   C2     sing N N 1   
A1BH5 C14   C2     sing N N 2   
A1BH5 C2    C3     sing N N 3   
A1BH5 C2    C1     sing N N 4   
A1BH5 C3    C4     sing N N 5   
A1BH5 C3    C18    sing N N 6   
A1BH5 C4    C5     sing N N 7   
A1BH5 C18   C1     sing N N 8   
A1BH5 C1    C6     sing N N 9   
A1BH5 O1    C21    sing N N 10  
A1BH5 C21   C20    doub Y N 11  
A1BH5 C21   C22    sing Y N 12  
A1BH5 C5    C6     doub Y N 13  
A1BH5 C5    C7     sing Y N 14  
A1BH5 C20   C19    sing Y N 15  
A1BH5 C22   C23    doub Y N 16  
A1BH5 C6    N1     sing Y N 17  
A1BH5 C19   C7     sing N N 18  
A1BH5 C19   C28    doub Y N 19  
A1BH5 C23   C28    sing Y N 20  
A1BH5 C23   C24    sing Y N 21  
A1BH5 C7    C8     doub Y N 22  
A1BH5 C28   C27    sing Y N 23  
A1BH5 C24   C25    doub Y N 24  
A1BH5 N1    C9     doub Y N 25  
A1BH5 C27   C26    doub Y N 26  
A1BH5 C25   C26    sing Y N 27  
A1BH5 C8    C9     sing Y N 28  
A1BH5 C8    F1     sing N N 29  
A1BH5 C9    N2     sing N N 30  
A1BH5 N2    C13    sing N N 31  
A1BH5 N2    C10    sing N N 32  
A1BH5 C13   C12    sing N N 33  
A1BH5 C10   C11    sing N N 34  
A1BH5 C12   C11    sing N N 35  
A1BH5 C12   C17    sing N N 36  
A1BH5 C12   C16    sing N N 37  
A1BH5 C17   N3     sing N N 38  
A1BH5 C16   N3     sing N N 39  
A1BH5 N3    C31    sing N N 40  
A1BH5 C31   C29    sing N N 41  
A1BH5 C31   O2     doub N N 42  
A1BH5 C29   C30    sing N N 43  
A1BH5 C30   H1     sing N N 44  
A1BH5 C30   H2     sing N N 45  
A1BH5 C30   H3     sing N N 46  
A1BH5 C29   H4     sing N N 47  
A1BH5 C29   H5     sing N N 48  
A1BH5 C17   H6     sing N N 49  
A1BH5 C17   H7     sing N N 50  
A1BH5 C16   H8     sing N N 51  
A1BH5 C16   H9     sing N N 52  
A1BH5 C13   H10    sing N N 53  
A1BH5 C13   H11    sing N N 54  
A1BH5 C11   H12    sing N N 55  
A1BH5 C11   H13    sing N N 56  
A1BH5 C10   H14    sing N N 57  
A1BH5 C10   H15    sing N N 58  
A1BH5 C1    H16    sing N N 59  
A1BH5 C15   H17    sing N N 60  
A1BH5 C15   H18    sing N N 61  
A1BH5 C15   H19    sing N N 62  
A1BH5 C14   H20    sing N N 63  
A1BH5 C14   H21    sing N N 64  
A1BH5 C14   H22    sing N N 65  
A1BH5 C18   H23    sing N N 66  
A1BH5 C18   H24    sing N N 67  
A1BH5 C3    H25    sing N N 68  
A1BH5 C4    H26    sing N N 69  
A1BH5 C4    H27    sing N N 70  
A1BH5 C20   H28    sing N N 71  
A1BH5 C27   H29    sing N N 72  
A1BH5 C26   H30    sing N N 73  
A1BH5 C25   H31    sing N N 74  
A1BH5 C24   H32    sing N N 75  
A1BH5 C22   H33    sing N N 76  
A1BH5 O1    H34    sing N N 77  
ALA   N     CA     sing N N 78  
ALA   N     H      sing N N 79  
ALA   N     H2     sing N N 80  
ALA   CA    C      sing N N 81  
ALA   CA    CB     sing N N 82  
ALA   CA    HA     sing N N 83  
ALA   C     O      doub N N 84  
ALA   C     OXT    sing N N 85  
ALA   CB    HB1    sing N N 86  
ALA   CB    HB2    sing N N 87  
ALA   CB    HB3    sing N N 88  
ALA   OXT   HXT    sing N N 89  
ARG   N     CA     sing N N 90  
ARG   N     H      sing N N 91  
ARG   N     H2     sing N N 92  
ARG   CA    C      sing N N 93  
ARG   CA    CB     sing N N 94  
ARG   CA    HA     sing N N 95  
ARG   C     O      doub N N 96  
ARG   C     OXT    sing N N 97  
ARG   CB    CG     sing N N 98  
ARG   CB    HB2    sing N N 99  
ARG   CB    HB3    sing N N 100 
ARG   CG    CD     sing N N 101 
ARG   CG    HG2    sing N N 102 
ARG   CG    HG3    sing N N 103 
ARG   CD    NE     sing N N 104 
ARG   CD    HD2    sing N N 105 
ARG   CD    HD3    sing N N 106 
ARG   NE    CZ     sing N N 107 
ARG   NE    HE     sing N N 108 
ARG   CZ    NH1    sing N N 109 
ARG   CZ    NH2    doub N N 110 
ARG   NH1   HH11   sing N N 111 
ARG   NH1   HH12   sing N N 112 
ARG   NH2   HH21   sing N N 113 
ARG   NH2   HH22   sing N N 114 
ARG   OXT   HXT    sing N N 115 
ASN   N     CA     sing N N 116 
ASN   N     H      sing N N 117 
ASN   N     H2     sing N N 118 
ASN   CA    C      sing N N 119 
ASN   CA    CB     sing N N 120 
ASN   CA    HA     sing N N 121 
ASN   C     O      doub N N 122 
ASN   C     OXT    sing N N 123 
ASN   CB    CG     sing N N 124 
ASN   CB    HB2    sing N N 125 
ASN   CB    HB3    sing N N 126 
ASN   CG    OD1    doub N N 127 
ASN   CG    ND2    sing N N 128 
ASN   ND2   HD21   sing N N 129 
ASN   ND2   HD22   sing N N 130 
ASN   OXT   HXT    sing N N 131 
ASP   N     CA     sing N N 132 
ASP   N     H      sing N N 133 
ASP   N     H2     sing N N 134 
ASP   CA    C      sing N N 135 
ASP   CA    CB     sing N N 136 
ASP   CA    HA     sing N N 137 
ASP   C     O      doub N N 138 
ASP   C     OXT    sing N N 139 
ASP   CB    CG     sing N N 140 
ASP   CB    HB2    sing N N 141 
ASP   CB    HB3    sing N N 142 
ASP   CG    OD1    doub N N 143 
ASP   CG    OD2    sing N N 144 
ASP   OD2   HD2    sing N N 145 
ASP   OXT   HXT    sing N N 146 
CYS   N     CA     sing N N 147 
CYS   N     H      sing N N 148 
CYS   N     H2     sing N N 149 
CYS   CA    C      sing N N 150 
CYS   CA    CB     sing N N 151 
CYS   CA    HA     sing N N 152 
CYS   C     O      doub N N 153 
CYS   C     OXT    sing N N 154 
CYS   CB    SG     sing N N 155 
CYS   CB    HB2    sing N N 156 
CYS   CB    HB3    sing N N 157 
CYS   SG    HG     sing N N 158 
CYS   OXT   HXT    sing N N 159 
EDO   C1    O1     sing N N 160 
EDO   C1    C2     sing N N 161 
EDO   C1    H11    sing N N 162 
EDO   C1    H12    sing N N 163 
EDO   O1    HO1    sing N N 164 
EDO   C2    O2     sing N N 165 
EDO   C2    H21    sing N N 166 
EDO   C2    H22    sing N N 167 
EDO   O2    HO2    sing N N 168 
GDP   PB    O1B    doub N N 169 
GDP   PB    O2B    sing N N 170 
GDP   PB    O3B    sing N N 171 
GDP   PB    O3A    sing N N 172 
GDP   O2B   HOB2   sing N N 173 
GDP   O3B   HOB3   sing N N 174 
GDP   O3A   PA     sing N N 175 
GDP   PA    O1A    doub N N 176 
GDP   PA    O2A    sing N N 177 
GDP   PA    "O5'"  sing N N 178 
GDP   O2A   HOA2   sing N N 179 
GDP   "O5'" "C5'"  sing N N 180 
GDP   "C5'" "C4'"  sing N N 181 
GDP   "C5'" "H5'"  sing N N 182 
GDP   "C5'" "H5''" sing N N 183 
GDP   "C4'" "O4'"  sing N N 184 
GDP   "C4'" "C3'"  sing N N 185 
GDP   "C4'" "H4'"  sing N N 186 
GDP   "O4'" "C1'"  sing N N 187 
GDP   "C3'" "O3'"  sing N N 188 
GDP   "C3'" "C2'"  sing N N 189 
GDP   "C3'" "H3'"  sing N N 190 
GDP   "O3'" "HO3'" sing N N 191 
GDP   "C2'" "O2'"  sing N N 192 
GDP   "C2'" "C1'"  sing N N 193 
GDP   "C2'" "H2'"  sing N N 194 
GDP   "O2'" "HO2'" sing N N 195 
GDP   "C1'" N9     sing N N 196 
GDP   "C1'" "H1'"  sing N N 197 
GDP   N9    C8     sing Y N 198 
GDP   N9    C4     sing Y N 199 
GDP   C8    N7     doub Y N 200 
GDP   C8    H8     sing N N 201 
GDP   N7    C5     sing Y N 202 
GDP   C5    C6     sing N N 203 
GDP   C5    C4     doub Y N 204 
GDP   C6    O6     doub N N 205 
GDP   C6    N1     sing N N 206 
GDP   N1    C2     sing N N 207 
GDP   N1    HN1    sing N N 208 
GDP   C2    N2     sing N N 209 
GDP   C2    N3     doub N N 210 
GDP   N2    HN21   sing N N 211 
GDP   N2    HN22   sing N N 212 
GDP   N3    C4     sing N N 213 
GLN   N     CA     sing N N 214 
GLN   N     H      sing N N 215 
GLN   N     H2     sing N N 216 
GLN   CA    C      sing N N 217 
GLN   CA    CB     sing N N 218 
GLN   CA    HA     sing N N 219 
GLN   C     O      doub N N 220 
GLN   C     OXT    sing N N 221 
GLN   CB    CG     sing N N 222 
GLN   CB    HB2    sing N N 223 
GLN   CB    HB3    sing N N 224 
GLN   CG    CD     sing N N 225 
GLN   CG    HG2    sing N N 226 
GLN   CG    HG3    sing N N 227 
GLN   CD    OE1    doub N N 228 
GLN   CD    NE2    sing N N 229 
GLN   NE2   HE21   sing N N 230 
GLN   NE2   HE22   sing N N 231 
GLN   OXT   HXT    sing N N 232 
GLU   N     CA     sing N N 233 
GLU   N     H      sing N N 234 
GLU   N     H2     sing N N 235 
GLU   CA    C      sing N N 236 
GLU   CA    CB     sing N N 237 
GLU   CA    HA     sing N N 238 
GLU   C     O      doub N N 239 
GLU   C     OXT    sing N N 240 
GLU   CB    CG     sing N N 241 
GLU   CB    HB2    sing N N 242 
GLU   CB    HB3    sing N N 243 
GLU   CG    CD     sing N N 244 
GLU   CG    HG2    sing N N 245 
GLU   CG    HG3    sing N N 246 
GLU   CD    OE1    doub N N 247 
GLU   CD    OE2    sing N N 248 
GLU   OE2   HE2    sing N N 249 
GLU   OXT   HXT    sing N N 250 
GLY   N     CA     sing N N 251 
GLY   N     H      sing N N 252 
GLY   N     H2     sing N N 253 
GLY   CA    C      sing N N 254 
GLY   CA    HA2    sing N N 255 
GLY   CA    HA3    sing N N 256 
GLY   C     O      doub N N 257 
GLY   C     OXT    sing N N 258 
GLY   OXT   HXT    sing N N 259 
HIS   N     CA     sing N N 260 
HIS   N     H      sing N N 261 
HIS   N     H2     sing N N 262 
HIS   CA    C      sing N N 263 
HIS   CA    CB     sing N N 264 
HIS   CA    HA     sing N N 265 
HIS   C     O      doub N N 266 
HIS   C     OXT    sing N N 267 
HIS   CB    CG     sing N N 268 
HIS   CB    HB2    sing N N 269 
HIS   CB    HB3    sing N N 270 
HIS   CG    ND1    sing Y N 271 
HIS   CG    CD2    doub Y N 272 
HIS   ND1   CE1    doub Y N 273 
HIS   ND1   HD1    sing N N 274 
HIS   CD2   NE2    sing Y N 275 
HIS   CD2   HD2    sing N N 276 
HIS   CE1   NE2    sing Y N 277 
HIS   CE1   HE1    sing N N 278 
HIS   NE2   HE2    sing N N 279 
HIS   OXT   HXT    sing N N 280 
HOH   O     H1     sing N N 281 
HOH   O     H2     sing N N 282 
ILE   N     CA     sing N N 283 
ILE   N     H      sing N N 284 
ILE   N     H2     sing N N 285 
ILE   CA    C      sing N N 286 
ILE   CA    CB     sing N N 287 
ILE   CA    HA     sing N N 288 
ILE   C     O      doub N N 289 
ILE   C     OXT    sing N N 290 
ILE   CB    CG1    sing N N 291 
ILE   CB    CG2    sing N N 292 
ILE   CB    HB     sing N N 293 
ILE   CG1   CD1    sing N N 294 
ILE   CG1   HG12   sing N N 295 
ILE   CG1   HG13   sing N N 296 
ILE   CG2   HG21   sing N N 297 
ILE   CG2   HG22   sing N N 298 
ILE   CG2   HG23   sing N N 299 
ILE   CD1   HD11   sing N N 300 
ILE   CD1   HD12   sing N N 301 
ILE   CD1   HD13   sing N N 302 
ILE   OXT   HXT    sing N N 303 
LEU   N     CA     sing N N 304 
LEU   N     H      sing N N 305 
LEU   N     H2     sing N N 306 
LEU   CA    C      sing N N 307 
LEU   CA    CB     sing N N 308 
LEU   CA    HA     sing N N 309 
LEU   C     O      doub N N 310 
LEU   C     OXT    sing N N 311 
LEU   CB    CG     sing N N 312 
LEU   CB    HB2    sing N N 313 
LEU   CB    HB3    sing N N 314 
LEU   CG    CD1    sing N N 315 
LEU   CG    CD2    sing N N 316 
LEU   CG    HG     sing N N 317 
LEU   CD1   HD11   sing N N 318 
LEU   CD1   HD12   sing N N 319 
LEU   CD1   HD13   sing N N 320 
LEU   CD2   HD21   sing N N 321 
LEU   CD2   HD22   sing N N 322 
LEU   CD2   HD23   sing N N 323 
LEU   OXT   HXT    sing N N 324 
LYS   N     CA     sing N N 325 
LYS   N     H      sing N N 326 
LYS   N     H2     sing N N 327 
LYS   CA    C      sing N N 328 
LYS   CA    CB     sing N N 329 
LYS   CA    HA     sing N N 330 
LYS   C     O      doub N N 331 
LYS   C     OXT    sing N N 332 
LYS   CB    CG     sing N N 333 
LYS   CB    HB2    sing N N 334 
LYS   CB    HB3    sing N N 335 
LYS   CG    CD     sing N N 336 
LYS   CG    HG2    sing N N 337 
LYS   CG    HG3    sing N N 338 
LYS   CD    CE     sing N N 339 
LYS   CD    HD2    sing N N 340 
LYS   CD    HD3    sing N N 341 
LYS   CE    NZ     sing N N 342 
LYS   CE    HE2    sing N N 343 
LYS   CE    HE3    sing N N 344 
LYS   NZ    HZ1    sing N N 345 
LYS   NZ    HZ2    sing N N 346 
LYS   NZ    HZ3    sing N N 347 
LYS   OXT   HXT    sing N N 348 
MET   N     CA     sing N N 349 
MET   N     H      sing N N 350 
MET   N     H2     sing N N 351 
MET   CA    C      sing N N 352 
MET   CA    CB     sing N N 353 
MET   CA    HA     sing N N 354 
MET   C     O      doub N N 355 
MET   C     OXT    sing N N 356 
MET   CB    CG     sing N N 357 
MET   CB    HB2    sing N N 358 
MET   CB    HB3    sing N N 359 
MET   CG    SD     sing N N 360 
MET   CG    HG2    sing N N 361 
MET   CG    HG3    sing N N 362 
MET   SD    CE     sing N N 363 
MET   CE    HE1    sing N N 364 
MET   CE    HE2    sing N N 365 
MET   CE    HE3    sing N N 366 
MET   OXT   HXT    sing N N 367 
PHE   N     CA     sing N N 368 
PHE   N     H      sing N N 369 
PHE   N     H2     sing N N 370 
PHE   CA    C      sing N N 371 
PHE   CA    CB     sing N N 372 
PHE   CA    HA     sing N N 373 
PHE   C     O      doub N N 374 
PHE   C     OXT    sing N N 375 
PHE   CB    CG     sing N N 376 
PHE   CB    HB2    sing N N 377 
PHE   CB    HB3    sing N N 378 
PHE   CG    CD1    doub Y N 379 
PHE   CG    CD2    sing Y N 380 
PHE   CD1   CE1    sing Y N 381 
PHE   CD1   HD1    sing N N 382 
PHE   CD2   CE2    doub Y N 383 
PHE   CD2   HD2    sing N N 384 
PHE   CE1   CZ     doub Y N 385 
PHE   CE1   HE1    sing N N 386 
PHE   CE2   CZ     sing Y N 387 
PHE   CE2   HE2    sing N N 388 
PHE   CZ    HZ     sing N N 389 
PHE   OXT   HXT    sing N N 390 
PRO   N     CA     sing N N 391 
PRO   N     CD     sing N N 392 
PRO   N     H      sing N N 393 
PRO   CA    C      sing N N 394 
PRO   CA    CB     sing N N 395 
PRO   CA    HA     sing N N 396 
PRO   C     O      doub N N 397 
PRO   C     OXT    sing N N 398 
PRO   CB    CG     sing N N 399 
PRO   CB    HB2    sing N N 400 
PRO   CB    HB3    sing N N 401 
PRO   CG    CD     sing N N 402 
PRO   CG    HG2    sing N N 403 
PRO   CG    HG3    sing N N 404 
PRO   CD    HD2    sing N N 405 
PRO   CD    HD3    sing N N 406 
PRO   OXT   HXT    sing N N 407 
SER   N     CA     sing N N 408 
SER   N     H      sing N N 409 
SER   N     H2     sing N N 410 
SER   CA    C      sing N N 411 
SER   CA    CB     sing N N 412 
SER   CA    HA     sing N N 413 
SER   C     O      doub N N 414 
SER   C     OXT    sing N N 415 
SER   CB    OG     sing N N 416 
SER   CB    HB2    sing N N 417 
SER   CB    HB3    sing N N 418 
SER   OG    HG     sing N N 419 
SER   OXT   HXT    sing N N 420 
THR   N     CA     sing N N 421 
THR   N     H      sing N N 422 
THR   N     H2     sing N N 423 
THR   CA    C      sing N N 424 
THR   CA    CB     sing N N 425 
THR   CA    HA     sing N N 426 
THR   C     O      doub N N 427 
THR   C     OXT    sing N N 428 
THR   CB    OG1    sing N N 429 
THR   CB    CG2    sing N N 430 
THR   CB    HB     sing N N 431 
THR   OG1   HG1    sing N N 432 
THR   CG2   HG21   sing N N 433 
THR   CG2   HG22   sing N N 434 
THR   CG2   HG23   sing N N 435 
THR   OXT   HXT    sing N N 436 
TYR   N     CA     sing N N 437 
TYR   N     H      sing N N 438 
TYR   N     H2     sing N N 439 
TYR   CA    C      sing N N 440 
TYR   CA    CB     sing N N 441 
TYR   CA    HA     sing N N 442 
TYR   C     O      doub N N 443 
TYR   C     OXT    sing N N 444 
TYR   CB    CG     sing N N 445 
TYR   CB    HB2    sing N N 446 
TYR   CB    HB3    sing N N 447 
TYR   CG    CD1    doub Y N 448 
TYR   CG    CD2    sing Y N 449 
TYR   CD1   CE1    sing Y N 450 
TYR   CD1   HD1    sing N N 451 
TYR   CD2   CE2    doub Y N 452 
TYR   CD2   HD2    sing N N 453 
TYR   CE1   CZ     doub Y N 454 
TYR   CE1   HE1    sing N N 455 
TYR   CE2   CZ     sing Y N 456 
TYR   CE2   HE2    sing N N 457 
TYR   CZ    OH     sing N N 458 
TYR   OH    HH     sing N N 459 
TYR   OXT   HXT    sing N N 460 
VAL   N     CA     sing N N 461 
VAL   N     H      sing N N 462 
VAL   N     H2     sing N N 463 
VAL   CA    C      sing N N 464 
VAL   CA    CB     sing N N 465 
VAL   CA    HA     sing N N 466 
VAL   C     O      doub N N 467 
VAL   C     OXT    sing N N 468 
VAL   CB    CG1    sing N N 469 
VAL   CB    CG2    sing N N 470 
VAL   CB    HB     sing N N 471 
VAL   CG1   HG11   sing N N 472 
VAL   CG1   HG12   sing N N 473 
VAL   CG1   HG13   sing N N 474 
VAL   CG2   HG21   sing N N 475 
VAL   CG2   HG22   sing N N 476 
VAL   CG2   HG23   sing N N 477 
VAL   OXT   HXT    sing N N 478 
# 
_pdbx_audit_support.funding_organization   'Not funded' 
_pdbx_audit_support.country                ? 
_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   6OIM 
_pdbx_initial_refinement_model.details          ? 
# 
_atom_sites.entry_id                    9E9I 
_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]   0.022033 
_atom_sites.fract_transf_matrix[1][2]   0.000000 
_atom_sites.fract_transf_matrix[1][3]   0.004035 
_atom_sites.fract_transf_matrix[2][1]   -0.000000 
_atom_sites.fract_transf_matrix[2][2]   0.025092 
_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]   0.019284 
_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  
F  
MG 
N  
O  
P  
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     . MET   A 1 16  ? 6.194   -6.607  1.319   1.00 29.42 ? 1   MET   A N     1 
ATOM   2    C  CA    . MET   A 1 16  ? 5.243   -7.665  0.866   1.00 28.70 ? 1   MET   A CA    1 
ATOM   3    C  C     . MET   A 1 16  ? 4.930   -7.475  -0.624  1.00 26.19 ? 1   MET   A C     1 
ATOM   4    O  O     . MET   A 1 16  ? 5.194   -6.382  -1.157  1.00 26.72 ? 1   MET   A O     1 
ATOM   5    C  CB    . MET   A 1 16  ? 3.937   -7.617  1.666   1.00 29.76 ? 1   MET   A CB    1 
ATOM   6    C  CG    . MET   A 1 16  ? 3.181   -6.310  1.522   1.00 30.85 ? 1   MET   A CG    1 
ATOM   7    S  SD    . MET   A 1 16  ? 1.676   -6.262  2.525   1.00 32.22 ? 1   MET   A SD    1 
ATOM   8    C  CE    . MET   A 1 16  ? 1.360   -4.498  2.530   1.00 32.63 ? 1   MET   A CE    1 
ATOM   9    N  N     . THR   A 1 17  ? 4.362   -8.503  -1.255  1.00 23.72 ? 2   THR   A N     1 
ATOM   10   C  CA    . THR   A 1 17  ? 3.965   -8.506  -2.686  1.00 20.96 ? 2   THR   A CA    1 
ATOM   11   C  C     . THR   A 1 17  ? 2.658   -7.725  -2.849  1.00 18.52 ? 2   THR   A C     1 
ATOM   12   O  O     . THR   A 1 17  ? 1.721   -7.976  -2.073  1.00 18.95 ? 2   THR   A O     1 
ATOM   13   C  CB    . THR   A 1 17  ? 3.799   -9.935  -3.218  1.00 21.46 ? 2   THR   A CB    1 
ATOM   14   O  OG1   . THR   A 1 17  ? 4.885   -10.724 -2.728  1.00 23.48 ? 2   THR   A OG1   1 
ATOM   15   C  CG2   . THR   A 1 17  ? 3.757   -9.992  -4.729  1.00 21.65 ? 2   THR   A CG2   1 
ATOM   16   N  N     . GLU   A 1 18  ? 2.606   -6.826  -3.830  1.00 16.40 ? 3   GLU   A N     1 
ATOM   17   C  CA    . GLU   A 1 18  ? 1.384   -6.067  -4.196  1.00 15.53 ? 3   GLU   A CA    1 
ATOM   18   C  C     . GLU   A 1 18  ? 0.783   -6.703  -5.448  1.00 14.51 ? 3   GLU   A C     1 
ATOM   19   O  O     . GLU   A 1 18  ? 1.536   -7.000  -6.387  1.00 15.52 ? 3   GLU   A O     1 
ATOM   20   C  CB    . GLU   A 1 18  ? 1.713   -4.590  -4.416  1.00 16.13 ? 3   GLU   A CB    1 
ATOM   21   C  CG    . GLU   A 1 18  ? 2.392   -3.947  -3.218  1.00 17.06 ? 3   GLU   A CG    1 
ATOM   22   C  CD    . GLU   A 1 18  ? 2.671   -2.458  -3.324  1.00 18.16 ? 3   GLU   A CD    1 
ATOM   23   O  OE1   . GLU   A 1 18  ? 3.408   -1.943  -2.464  1.00 20.49 ? 3   GLU   A OE1   1 
ATOM   24   O  OE2   . GLU   A 1 18  ? 2.153   -1.818  -4.254  1.00 20.32 ? 3   GLU   A OE2   1 
ATOM   25   N  N     . TYR   A 1 19  ? -0.530  -6.920  -5.446  1.00 13.15 ? 4   TYR   A N     1 
ATOM   26   C  CA    . TYR   A 1 19  ? -1.292  -7.409  -6.619  1.00 12.84 ? 4   TYR   A CA    1 
ATOM   27   C  C     . TYR   A 1 19  ? -2.271  -6.316  -7.034  1.00 12.41 ? 4   TYR   A C     1 
ATOM   28   O  O     . TYR   A 1 19  ? -3.124  -5.936  -6.218  1.00 12.19 ? 4   TYR   A O     1 
ATOM   29   C  CB    . TYR   A 1 19  ? -2.011  -8.720  -6.302  1.00 12.68 ? 4   TYR   A CB    1 
ATOM   30   C  CG    . TYR   A 1 19  ? -1.078  -9.872  -6.038  1.00 12.71 ? 4   TYR   A CG    1 
ATOM   31   C  CD1   . TYR   A 1 19  ? -0.531  -10.597 -7.084  1.00 13.03 ? 4   TYR   A CD1   1 
ATOM   32   C  CD2   . TYR   A 1 19  ? -0.734  -10.233 -4.748  1.00 13.08 ? 4   TYR   A CD2   1 
ATOM   33   C  CE1   . TYR   A 1 19  ? 0.336   -11.653 -6.856  1.00 13.27 ? 4   TYR   A CE1   1 
ATOM   34   C  CE2   . TYR   A 1 19  ? 0.129   -11.289 -4.503  1.00 13.20 ? 4   TYR   A CE2   1 
ATOM   35   C  CZ    . TYR   A 1 19  ? 0.666   -12.003 -5.561  1.00 13.17 ? 4   TYR   A CZ    1 
ATOM   36   O  OH    . TYR   A 1 19  ? 1.516   -13.048 -5.331  1.00 14.20 ? 4   TYR   A OH    1 
ATOM   37   N  N     . LYS   A 1 20  ? -2.131  -5.832  -8.266  1.00 12.32 ? 5   LYS   A N     1 
ATOM   38   C  CA    . LYS   A 1 20  ? -2.992  -4.772  -8.844  1.00 12.70 ? 5   LYS   A CA    1 
ATOM   39   C  C     . LYS   A 1 20  ? -4.124  -5.450  -9.615  1.00 11.77 ? 5   LYS   A C     1 
ATOM   40   O  O     . LYS   A 1 20  ? -3.864  -6.053  -10.680 1.00 11.61 ? 5   LYS   A O     1 
ATOM   41   C  CB    . LYS   A 1 20  ? -2.154  -3.831  -9.711  1.00 13.97 ? 5   LYS   A CB    1 
ATOM   42   C  CG    . LYS   A 1 20  ? -1.111  -3.043  -8.930  1.00 15.65 ? 5   LYS   A CG    1 
ATOM   43   C  CD    . LYS   A 1 20  ? -0.184  -2.210  -9.784  1.00 17.22 ? 5   LYS   A CD    1 
ATOM   44   C  CE    . LYS   A 1 20  ? 0.664   -1.258  -8.964  1.00 18.67 ? 5   LYS   A CE    1 
ATOM   45   N  NZ    . LYS   A 1 20  ? 1.455   -1.973  -7.935  1.00 19.90 ? 5   LYS   A NZ    1 
ATOM   46   N  N     . LEU   A 1 21  ? -5.332  -5.392  -9.058  1.00 10.97 ? 6   LEU   A N     1 
ATOM   47   C  CA    . LEU   A 1 21  ? -6.528  -6.043  -9.642  1.00 11.11 ? 6   LEU   A CA    1 
ATOM   48   C  C     . LEU   A 1 21  ? -7.463  -4.953  -10.151 1.00 10.84 ? 6   LEU   A C     1 
ATOM   49   O  O     . LEU   A 1 21  ? -7.576  -3.909  -9.497  1.00 11.98 ? 6   LEU   A O     1 
ATOM   50   C  CB    . LEU   A 1 21  ? -7.233  -6.896  -8.586  1.00 11.28 ? 6   LEU   A CB    1 
ATOM   51   C  CG    . LEU   A 1 21  ? -6.334  -7.775  -7.719  1.00 12.37 ? 6   LEU   A CG    1 
ATOM   52   C  CD1   . LEU   A 1 21  ? -7.171  -8.615  -6.773  1.00 12.49 ? 6   LEU   A CD1   1 
ATOM   53   C  CD2   . LEU   A 1 21  ? -5.440  -8.661  -8.570  1.00 12.98 ? 6   LEU   A CD2   1 
ATOM   54   N  N     . VAL   A 1 22  ? -8.121  -5.207  -11.273 1.00 10.23 ? 7   VAL   A N     1 
ATOM   55   C  CA    . VAL   A 1 22  ? -9.087  -4.242  -11.862 1.00 10.20 ? 7   VAL   A CA    1 
ATOM   56   C  C     . VAL   A 1 22  ? -10.424 -4.955  -12.043 1.00 10.03 ? 7   VAL   A C     1 
ATOM   57   O  O     . VAL   A 1 22  ? -10.450 -6.033  -12.658 1.00 10.41 ? 7   VAL   A O     1 
ATOM   58   C  CB    . VAL   A 1 22  ? -8.572  -3.649  -13.181 1.00 10.69 ? 7   VAL   A CB    1 
ATOM   59   C  CG1   . VAL   A 1 22  ? -9.574  -2.655  -13.741 1.00 10.81 ? 7   VAL   A CG1   1 
ATOM   60   C  CG2   . VAL   A 1 22  ? -7.207  -3.000  -13.006 1.00 11.11 ? 7   VAL   A CG2   1 
ATOM   61   N  N     . VAL   A 1 23  ? -11.489 -4.371  -11.504 1.00 9.59  ? 8   VAL   A N     1 
ATOM   62   C  CA    . VAL   A 1 23  ? -12.855 -4.949  -11.574 1.00 9.56  ? 8   VAL   A CA    1 
ATOM   63   C  C     . VAL   A 1 23  ? -13.608 -4.222  -12.683 1.00 9.60  ? 8   VAL   A C     1 
ATOM   64   O  O     . VAL   A 1 23  ? -13.747 -2.992  -12.595 1.00 9.77  ? 8   VAL   A O     1 
ATOM   65   C  CB    . VAL   A 1 23  ? -13.574 -4.852  -10.221 1.00 9.52  ? 8   VAL   A CB    1 
ATOM   66   C  CG1   . VAL   A 1 23  ? -14.916 -5.560  -10.269 1.00 9.67  ? 8   VAL   A CG1   1 
ATOM   67   C  CG2   . VAL   A 1 23  ? -12.717 -5.403  -9.091  1.00 9.56  ? 8   VAL   A CG2   1 
ATOM   68   N  N     . VAL   A 1 24  ? -14.061 -4.971  -13.686 1.00 9.68  ? 9   VAL   A N     1 
ATOM   69   C  CA    . VAL   A 1 24  ? -14.734 -4.411  -14.888 1.00 10.10 ? 9   VAL   A CA    1 
ATOM   70   C  C     . VAL   A 1 24  ? -16.050 -5.151  -15.116 1.00 9.94  ? 9   VAL   A C     1 
ATOM   71   O  O     . VAL   A 1 24  ? -16.238 -6.281  -14.616 1.00 10.15 ? 9   VAL   A O     1 
ATOM   72   C  CB    . VAL   A 1 24  ? -13.827 -4.470  -16.133 1.00 10.49 ? 9   VAL   A CB    1 
ATOM   73   C  CG1   . VAL   A 1 24  ? -12.514 -3.747  -15.889 1.00 10.97 ? 9   VAL   A CG1   1 
ATOM   74   C  CG2   . VAL   A 1 24  ? -13.574 -5.893  -16.602 1.00 10.66 ? 9   VAL   A CG2   1 
ATOM   75   N  N     . GLY   A 1 25  ? -16.930 -4.510  -15.873 1.00 10.21 ? 10  GLY   A N     1 
ATOM   76   C  CA    . GLY   A 1 25  ? -18.257 -5.046  -16.184 1.00 10.21 ? 10  GLY   A CA    1 
ATOM   77   C  C     . GLY   A 1 25  ? -19.296 -3.951  -16.212 1.00 10.09 ? 10  GLY   A C     1 
ATOM   78   O  O     . GLY   A 1 25  ? -19.022 -2.828  -15.739 1.00 10.62 ? 10  GLY   A O     1 
ATOM   79   N  N     . ALA   A 1 26  ? -20.469 -4.290  -16.734 1.00 10.37 ? 11  ALA   A N     1 
ATOM   80   C  CA    . ALA   A 1 26  ? -21.582 -3.349  -16.960 1.00 10.83 ? 11  ALA   A CA    1 
ATOM   81   C  C     . ALA   A 1 26  ? -22.004 -2.686  -15.647 1.00 10.76 ? 11  ALA   A C     1 
ATOM   82   O  O     . ALA   A 1 26  ? -21.789 -3.244  -14.545 1.00 10.82 ? 11  ALA   A O     1 
ATOM   83   C  CB    . ALA   A 1 26  ? -22.738 -4.074  -17.596 1.00 10.94 ? 11  ALA   A CB    1 
ATOM   84   N  N     . CYS   A 1 27  ? -22.637 -1.526  -15.765 1.00 10.89 ? 12  CYS   A N     1 
ATOM   85   C  CA    . CYS   A 1 27  ? -23.306 -0.849  -14.632 1.00 11.04 ? 12  CYS   A CA    1 
ATOM   86   C  C     . CYS   A 1 27  ? -24.244 -1.822  -13.925 1.00 10.97 ? 12  CYS   A C     1 
ATOM   87   O  O     . CYS   A 1 27  ? -25.010 -2.524  -14.606 1.00 11.50 ? 12  CYS   A O     1 
ATOM   88   C  CB    . CYS   A 1 27  ? -24.112 0.347   -15.112 1.00 11.39 ? 12  CYS   A CB    1 
ATOM   89   S  SG    . CYS   A 1 27  ? -23.052 1.707   -15.652 1.00 12.24 ? 12  CYS   A SG    1 
ATOM   90   N  N     . GLY   A 1 28  ? -24.209 -1.805  -12.594 1.00 10.52 ? 13  GLY   A N     1 
ATOM   91   C  CA    . GLY   A 1 28  ? -25.182 -2.545  -11.766 1.00 10.25 ? 13  GLY   A CA    1 
ATOM   92   C  C     . GLY   A 1 28  ? -24.877 -4.013  -11.549 1.00 10.07 ? 13  GLY   A C     1 
ATOM   93   O  O     . GLY   A 1 28  ? -25.660 -4.656  -10.861 1.00 10.95 ? 13  GLY   A O     1 
ATOM   94   N  N     . VAL   A 1 29  ? -23.766 -4.519  -12.078 1.00 9.61  ? 14  VAL   A N     1 
ATOM   95   C  CA    . VAL   A 1 29  ? -23.485 -5.976  -11.889 1.00 9.38  ? 14  VAL   A CA    1 
ATOM   96   C  C     . VAL   A 1 29  ? -23.004 -6.277  -10.459 1.00 8.90  ? 14  VAL   A C     1 
ATOM   97   O  O     . VAL   A 1 29  ? -23.090 -7.447  -10.069 1.00 9.11  ? 14  VAL   A O     1 
ATOM   98   C  CB    . VAL   A 1 29  ? -22.504 -6.518  -12.947 1.00 9.57  ? 14  VAL   A CB    1 
ATOM   99   C  CG1   . VAL   A 1 29  ? -23.045 -6.314  -14.357 1.00 9.65  ? 14  VAL   A CG1   1 
ATOM   100  C  CG2   . VAL   A 1 29  ? -21.116 -5.906  -12.802 1.00 9.63  ? 14  VAL   A CG2   1 
ATOM   101  N  N     . GLY   A 1 30  ? -22.517 -5.267  -9.719  1.00 8.72  ? 15  GLY   A N     1 
ATOM   102  C  CA    . GLY   A 1 30  ? -22.013 -5.476  -8.341  1.00 8.63  ? 15  GLY   A CA    1 
ATOM   103  C  C     . GLY   A 1 30  ? -20.507 -5.287  -8.196  1.00 8.42  ? 15  GLY   A C     1 
ATOM   104  O  O     . GLY   A 1 30  ? -19.932 -5.869  -7.267  1.00 8.30  ? 15  GLY   A O     1 
ATOM   105  N  N     . LYS   A 1 31  ? -19.879 -4.537  -9.099  1.00 8.08  ? 16  LYS   A N     1 
ATOM   106  C  CA    . LYS   A 1 31  ? -18.412 -4.319  -8.995  1.00 8.19  ? 16  LYS   A CA    1 
ATOM   107  C  C     . LYS   A 1 31  ? -18.078 -3.637  -7.667  1.00 8.03  ? 16  LYS   A C     1 
ATOM   108  O  O     . LYS   A 1 31  ? -17.157 -4.079  -6.951  1.00 8.07  ? 16  LYS   A O     1 
ATOM   109  C  CB    . LYS   A 1 31  ? -17.928 -3.459  -10.155 1.00 8.31  ? 16  LYS   A CB    1 
ATOM   110  C  CG    . LYS   A 1 31  ? -18.137 -4.102  -11.516 1.00 8.62  ? 16  LYS   A CG    1 
ATOM   111  C  CD    . LYS   A 1 31  ? -17.570 -3.299  -12.664 1.00 9.05  ? 16  LYS   A CD    1 
ATOM   112  C  CE    . LYS   A 1 31  ? -18.104 -1.885  -12.746 1.00 9.11  ? 16  LYS   A CE    1 
ATOM   113  N  NZ    . LYS   A 1 31  ? -19.568 -1.851  -12.985 1.00 9.16  ? 16  LYS   A NZ    1 
ATOM   114  N  N     . SER   A 1 32  ? -18.788 -2.566  -7.347  1.00 7.92  ? 17  SER   A N     1 
ATOM   115  C  CA    . SER   A 1 32  ? -18.551 -1.819  -6.089  1.00 7.76  ? 17  SER   A CA    1 
ATOM   116  C  C     . SER   A 1 32  ? -18.892 -2.715  -4.900  1.00 7.71  ? 17  SER   A C     1 
ATOM   117  O  O     . SER   A 1 32  ? -18.111 -2.772  -3.951  1.00 7.95  ? 17  SER   A O     1 
ATOM   118  C  CB    . SER   A 1 32  ? -19.324 -0.539  -6.049  1.00 7.73  ? 17  SER   A CB    1 
ATOM   119  O  OG    . SER   A 1 32  ? -18.874 0.326   -7.065  1.00 8.21  ? 17  SER   A OG    1 
ATOM   120  N  N     . ALA   A 1 33  ? -20.025 -3.401  -4.952  1.00 7.69  ? 18  ALA   A N     1 
ATOM   121  C  CA    . ALA   A 1 33  ? -20.460 -4.242  -3.818  1.00 7.72  ? 18  ALA   A CA    1 
ATOM   122  C  C     . ALA   A 1 33  ? -19.439 -5.366  -3.582  1.00 7.65  ? 18  ALA   A C     1 
ATOM   123  O  O     . ALA   A 1 33  ? -19.131 -5.673  -2.426  1.00 7.86  ? 18  ALA   A O     1 
ATOM   124  C  CB    . ALA   A 1 33  ? -21.842 -4.788  -4.042  1.00 8.00  ? 18  ALA   A CB    1 
ATOM   125  N  N     . LEU   A 1 34  ? -18.915 -5.978  -4.637  1.00 7.66  ? 19  LEU   A N     1 
ATOM   126  C  CA    . LEU   A 1 34  ? -17.896 -7.048  -4.480  1.00 7.98  ? 19  LEU   A CA    1 
ATOM   127  C  C     . LEU   A 1 34  ? -16.641 -6.457  -3.840  1.00 8.08  ? 19  LEU   A C     1 
ATOM   128  O  O     . LEU   A 1 34  ? -16.083 -7.071  -2.924  1.00 8.18  ? 19  LEU   A O     1 
ATOM   129  C  CB    . LEU   A 1 34  ? -17.569 -7.649  -5.847  1.00 8.14  ? 19  LEU   A CB    1 
ATOM   130  C  CG    . LEU   A 1 34  ? -18.577 -8.681  -6.344  1.00 8.39  ? 19  LEU   A CG    1 
ATOM   131  C  CD1   . LEU   A 1 34  ? -18.302 -9.048  -7.789  1.00 8.63  ? 19  LEU   A CD1   1 
ATOM   132  C  CD2   . LEU   A 1 34  ? -18.572 -9.927  -5.468  1.00 8.68  ? 19  LEU   A CD2   1 
ATOM   133  N  N     . THR   A 1 35  ? -16.193 -5.304  -4.328  1.00 8.37  ? 20  THR   A N     1 
ATOM   134  C  CA    . THR   A 1 35  ? -14.947 -4.660  -3.846  1.00 8.85  ? 20  THR   A CA    1 
ATOM   135  C  C     . THR   A 1 35  ? -15.103 -4.276  -2.371  1.00 8.75  ? 20  THR   A C     1 
ATOM   136  O  O     . THR   A 1 35  ? -14.192 -4.566  -1.575  1.00 8.93  ? 20  THR   A O     1 
ATOM   137  C  CB    . THR   A 1 35  ? -14.579 -3.449  -4.706  1.00 9.41  ? 20  THR   A CB    1 
ATOM   138  O  OG1   . THR   A 1 35  ? -14.432 -3.868  -6.061  1.00 10.15 ? 20  THR   A OG1   1 
ATOM   139  C  CG2   . THR   A 1 35  ? -13.295 -2.797  -4.248  1.00 9.84  ? 20  THR   A CG2   1 
ATOM   140  N  N     . ILE   A 1 36  ? -16.223 -3.667  -2.004  1.00 8.79  ? 21  ILE   A N     1 
ATOM   141  C  CA    . ILE   A 1 36  ? -16.443 -3.199  -0.608  1.00 8.99  ? 21  ILE   A CA    1 
ATOM   142  C  C     . ILE   A 1 36  ? -16.660 -4.410  0.310   1.00 8.84  ? 21  ILE   A C     1 
ATOM   143  O  O     . ILE   A 1 36  ? -16.191 -4.377  1.457   1.00 9.24  ? 21  ILE   A O     1 
ATOM   144  C  CB    . ILE   A 1 36  ? -17.604 -2.186  -0.556  1.00 9.36  ? 21  ILE   A CB    1 
ATOM   145  C  CG1   . ILE   A 1 36  ? -17.303 -0.923  -1.374  1.00 9.89  ? 21  ILE   A CG1   1 
ATOM   146  C  CG2   . ILE   A 1 36  ? -17.953 -1.845  0.882   1.00 9.67  ? 21  ILE   A CG2   1 
ATOM   147  C  CD1   . ILE   A 1 36  ? -16.064 -0.172  -0.946  1.00 10.37 ? 21  ILE   A CD1   1 
ATOM   148  N  N     . GLN   A 1 37  ? -17.308 -5.473  -0.167  1.00 8.70  ? 22  GLN   A N     1 
ATOM   149  C  CA    . GLN   A 1 37  ? -17.428 -6.704  0.651   1.00 8.70  ? 22  GLN   A CA    1 
ATOM   150  C  C     . GLN   A 1 37  ? -16.025 -7.266  0.896   1.00 8.94  ? 22  GLN   A C     1 
ATOM   151  O  O     . GLN   A 1 37  ? -15.703 -7.588  2.051   1.00 9.08  ? 22  GLN   A O     1 
ATOM   152  C  CB    . GLN   A 1 37  ? -18.338 -7.726  -0.023  1.00 8.87  ? 22  GLN   A CB    1 
ATOM   153  C  CG    . GLN   A 1 37  ? -18.516 -9.003  0.795   1.00 9.00  ? 22  GLN   A CG    1 
ATOM   154  C  CD    . GLN   A 1 37  ? -19.200 -8.766  2.122   1.00 9.22  ? 22  GLN   A CD    1 
ATOM   155  O  OE1   . GLN   A 1 37  ? -18.578 -8.810  3.180   1.00 10.09 ? 22  GLN   A OE1   1 
ATOM   156  N  NE2   . GLN   A 1 37  ? -20.504 -8.559  2.087   1.00 9.40  ? 22  GLN   A NE2   1 
ATOM   157  N  N     . LEU   A 1 38  ? -15.205 -7.374  -0.144  1.00 9.37  ? 23  LEU   A N     1 
ATOM   158  C  CA    . LEU   A 1 38  ? -13.838 -7.912  0.061   1.00 10.40 ? 23  LEU   A CA    1 
ATOM   159  C  C     . LEU   A 1 38  ? -13.040 -7.025  1.030   1.00 10.84 ? 23  LEU   A C     1 
ATOM   160  O  O     . LEU   A 1 38  ? -12.491 -7.537  2.023   1.00 11.38 ? 23  LEU   A O     1 
ATOM   161  C  CB    . LEU   A 1 38  ? -13.125 -7.967  -1.291  1.00 10.93 ? 23  LEU   A CB    1 
ATOM   162  C  CG    . LEU   A 1 38  ? -11.693 -8.493  -1.206  1.00 12.03 ? 23  LEU   A CG    1 
ATOM   163  C  CD1   . LEU   A 1 38  ? -11.687 -10.008 -1.121  1.00 12.38 ? 23  LEU   A CD1   1 
ATOM   164  C  CD2   . LEU   A 1 38  ? -10.859 -7.999  -2.371  1.00 12.78 ? 23  LEU   A CD2   1 
ATOM   165  N  N     . ILE   A 1 39  ? -12.986 -5.733  0.745   1.00 11.43 ? 24  ILE   A N     1 
ATOM   166  C  CA    . ILE   A 1 39  ? -12.081 -4.830  1.516   1.00 12.58 ? 24  ILE   A CA    1 
ATOM   167  C  C     . ILE   A 1 39  ? -12.661 -4.422  2.872   1.00 12.63 ? 24  ILE   A C     1 
ATOM   168  O  O     . ILE   A 1 39  ? -11.906 -4.473  3.852   1.00 13.30 ? 24  ILE   A O     1 
ATOM   169  C  CB    . ILE   A 1 39  ? -11.718 -3.607  0.649   1.00 13.77 ? 24  ILE   A CB    1 
ATOM   170  C  CG1   . ILE   A 1 39  ? -11.012 -4.015  -0.648  1.00 14.93 ? 24  ILE   A CG1   1 
ATOM   171  C  CG2   . ILE   A 1 39  ? -10.891 -2.609  1.449   1.00 14.19 ? 24  ILE   A CG2   1 
ATOM   172  C  CD1   . ILE   A 1 39  ? -9.691  -4.719  -0.433  1.00 15.60 ? 24  ILE   A CD1   1 
ATOM   173  N  N     . GLN   A 1 40  ? -13.940 -4.047  2.921   1.00 12.47 ? 25  GLN   A N     1 
ATOM   174  C  CA    . GLN   A 1 40  ? -14.547 -3.487  4.159   1.00 13.16 ? 25  GLN   A CA    1 
ATOM   175  C  C     . GLN   A 1 40  ? -15.458 -4.475  4.897   1.00 13.01 ? 25  GLN   A C     1 
ATOM   176  O  O     . GLN   A 1 40  ? -15.928 -4.122  5.965   1.00 14.12 ? 25  GLN   A O     1 
ATOM   177  C  CB    . GLN   A 1 40  ? -15.228 -2.159  3.823   1.00 13.83 ? 25  GLN   A CB    1 
ATOM   178  C  CG    . GLN   A 1 40  ? -14.260 -1.159  3.203   1.00 14.78 ? 25  GLN   A CG    1 
ATOM   179  C  CD    . GLN   A 1 40  ? -14.903 0.155   2.844   1.00 15.22 ? 25  GLN   A CD    1 
ATOM   180  O  OE1   . GLN   A 1 40  ? -16.088 0.365   3.081   1.00 15.45 ? 25  GLN   A OE1   1 
ATOM   181  N  NE2   . GLN   A 1 40  ? -14.107 1.039   2.256   1.00 16.42 ? 25  GLN   A NE2   1 
ATOM   182  N  N     . ASN   A 1 41  ? -15.728 -5.635  4.307   1.00 12.61 ? 26  ASN   A N     1 
ATOM   183  C  CA    . ASN   A 1 41  ? -16.477 -6.738  4.971   1.00 12.77 ? 26  ASN   A CA    1 
ATOM   184  C  C     . ASN   A 1 41  ? -17.940 -6.341  5.197   1.00 11.91 ? 26  ASN   A C     1 
ATOM   185  O  O     . ASN   A 1 41  ? -18.543 -6.820  6.171   1.00 12.43 ? 26  ASN   A O     1 
ATOM   186  C  CB    . ASN   A 1 41  ? -15.836 -7.151  6.300   1.00 13.71 ? 26  ASN   A CB    1 
ATOM   187  C  CG    . ASN   A 1 41  ? -14.352 -7.430  6.195   1.00 14.98 ? 26  ASN   A CG    1 
ATOM   188  O  OD1   . ASN   A 1 41  ? -13.854 -7.827  5.143   1.00 15.39 ? 26  ASN   A OD1   1 
ATOM   189  N  ND2   . ASN   A 1 41  ? -13.634 -7.225  7.288   1.00 16.90 ? 26  ASN   A ND2   1 
ATOM   190  N  N     . HIS   A 1 42  ? -18.525 -5.521  4.324   1.00 11.27 ? 27  HIS   A N     1 
ATOM   191  C  CA    A HIS   A 1 42  ? -19.974 -5.206  4.420   0.50 10.86 ? 27  HIS   A CA    1 
ATOM   192  C  CA    B HIS   A 1 42  ? -19.939 -5.067  4.420   0.50 11.51 ? 27  HIS   A CA    1 
ATOM   193  C  C     . HIS   A 1 42  ? -20.577 -5.065  3.027   1.00 10.76 ? 27  HIS   A C     1 
ATOM   194  O  O     . HIS   A 1 42  ? -19.848 -4.758  2.066   1.00 10.38 ? 27  HIS   A O     1 
ATOM   195  C  CB    A HIS   A 1 42  ? -20.239 -3.983  5.309   0.50 10.77 ? 27  HIS   A CB    1 
ATOM   196  C  CB    B HIS   A 1 42  ? -19.981 -3.679  5.078   0.50 12.25 ? 27  HIS   A CB    1 
ATOM   197  C  CG    A HIS   A 1 42  ? -19.622 -2.722  4.808   0.50 10.49 ? 27  HIS   A CG    1 
ATOM   198  C  CG    B HIS   A 1 42  ? -21.298 -2.989  4.976   0.50 12.95 ? 27  HIS   A CG    1 
ATOM   199  N  ND1   A HIS   A 1 42  ? -20.355 -1.705  4.222   0.50 10.48 ? 27  HIS   A ND1   1 
ATOM   200  N  ND1   B HIS   A 1 42  ? -22.338 -3.248  5.846   0.50 13.55 ? 27  HIS   A ND1   1 
ATOM   201  C  CD2   A HIS   A 1 42  ? -18.340 -2.308  4.813   0.50 10.34 ? 27  HIS   A CD2   1 
ATOM   202  C  CD2   B HIS   A 1 42  ? -21.746 -2.051  4.114   0.50 13.48 ? 27  HIS   A CD2   1 
ATOM   203  C  CE1   A HIS   A 1 42  ? -19.537 -0.724  3.886   0.50 10.14 ? 27  HIS   A CE1   1 
ATOM   204  C  CE1   B HIS   A 1 42  ? -23.372 -2.501  5.520   0.50 13.54 ? 27  HIS   A CE1   1 
ATOM   205  N  NE2   A HIS   A 1 42  ? -18.297 -1.073  4.230   0.50 10.45 ? 27  HIS   A NE2   1 
ATOM   206  N  NE2   B HIS   A 1 42  ? -23.034 -1.760  4.460   0.50 13.31 ? 27  HIS   A NE2   1 
ATOM   207  N  N     . PHE   A 1 43  ? -21.872 -5.333  2.951   1.00 10.16 ? 28  PHE   A N     1 
ATOM   208  C  CA    . PHE   A 1 43  ? -22.656 -5.282  1.699   1.00 10.23 ? 28  PHE   A CA    1 
ATOM   209  C  C     . PHE   A 1 43  ? -23.294 -3.902  1.562   1.00 10.18 ? 28  PHE   A C     1 
ATOM   210  O  O     . PHE   A 1 43  ? -24.060 -3.498  2.461   1.00 11.88 ? 28  PHE   A O     1 
ATOM   211  C  CB    . PHE   A 1 43  ? -23.749 -6.343  1.702   1.00 10.49 ? 28  PHE   A CB    1 
ATOM   212  C  CG    . PHE   A 1 43  ? -24.677 -6.236  0.522   1.00 10.58 ? 28  PHE   A CG    1 
ATOM   213  C  CD1   . PHE   A 1 43  ? -24.190 -6.375  -0.767  1.00 10.36 ? 28  PHE   A CD1   1 
ATOM   214  C  CD2   . PHE   A 1 43  ? -26.030 -5.997  0.696   1.00 11.20 ? 28  PHE   A CD2   1 
ATOM   215  C  CE1   . PHE   A 1 43  ? -25.036 -6.277  -1.859  1.00 10.44 ? 28  PHE   A CE1   1 
ATOM   216  C  CE2   . PHE   A 1 43  ? -26.876 -5.898  -0.399  1.00 11.46 ? 28  PHE   A CE2   1 
ATOM   217  C  CZ    . PHE   A 1 43  ? -26.378 -6.045  -1.673  1.00 10.89 ? 28  PHE   A CZ    1 
ATOM   218  N  N     . VAL   A 1 44  ? -23.008 -3.207  0.464   1.00 9.59  ? 29  VAL   A N     1 
ATOM   219  C  CA    . VAL   A 1 44  ? -23.611 -1.875  0.164   1.00 9.64  ? 29  VAL   A CA    1 
ATOM   220  C  C     . VAL   A 1 44  ? -24.881 -2.083  -0.663  1.00 9.44  ? 29  VAL   A C     1 
ATOM   221  O  O     . VAL   A 1 44  ? -24.833 -2.737  -1.726  1.00 9.72  ? 29  VAL   A O     1 
ATOM   222  C  CB    . VAL   A 1 44  ? -22.616 -0.915  -0.514  1.00 10.01 ? 29  VAL   A CB    1 
ATOM   223  C  CG1   . VAL   A 1 44  ? -21.490 -0.572  0.438   1.00 10.13 ? 29  VAL   A CG1   1 
ATOM   224  C  CG2   . VAL   A 1 44  ? -22.061 -1.431  -1.832  1.00 10.25 ? 29  VAL   A CG2   1 
ATOM   225  N  N     . ASP   A 1 45  ? -25.987 -1.520  -0.182  1.00 9.54  ? 30  ASP   A N     1 
ATOM   226  C  CA    . ASP   A 1 45  ? -27.313 -1.603  -0.843  1.00 9.84  ? 30  ASP   A CA    1 
ATOM   227  C  C     . ASP   A 1 45  ? -27.369 -0.613  -2.009  1.00 9.65  ? 30  ASP   A C     1 
ATOM   228  O  O     . ASP   A 1 45  ? -28.216 -0.773  -2.886  1.00 9.85  ? 30  ASP   A O     1 
ATOM   229  C  CB    . ASP   A 1 45  ? -28.439 -1.369  0.167   1.00 9.85  ? 30  ASP   A CB    1 
ATOM   230  C  CG    . ASP   A 1 45  ? -28.402 -0.050  0.924   1.00 9.92  ? 30  ASP   A CG    1 
ATOM   231  O  OD1   . ASP   A 1 45  ? -27.477 0.756   0.700   1.00 9.96  ? 30  ASP   A OD1   1 
ATOM   232  O  OD2   . ASP   A 1 45  ? -29.326 0.175   1.736   1.00 10.72 ? 30  ASP   A OD2   1 
ATOM   233  N  N     . GLU   A 1 46  ? -26.492 0.384   -2.008  1.00 9.55  ? 31  GLU   A N     1 
ATOM   234  C  CA    . GLU   A 1 46  ? -26.410 1.415   -3.065  1.00 9.85  ? 31  GLU   A CA    1 
ATOM   235  C  C     . GLU   A 1 46  ? -25.011 2.012   -2.997  1.00 9.54  ? 31  GLU   A C     1 
ATOM   236  O  O     . GLU   A 1 46  ? -24.487 2.197   -1.883  1.00 10.10 ? 31  GLU   A O     1 
ATOM   237  C  CB    . GLU   A 1 46  ? -27.485 2.492   -2.898  1.00 10.48 ? 31  GLU   A CB    1 
ATOM   238  C  CG    . GLU   A 1 46  ? -27.525 3.451   -4.077  1.00 11.34 ? 31  GLU   A CG    1 
ATOM   239  C  CD    . GLU   A 1 46  ? -28.614 4.510   -4.051  1.00 12.28 ? 31  GLU   A CD    1 
ATOM   240  O  OE1   . GLU   A 1 46  ? -29.465 4.487   -3.137  1.00 13.75 ? 31  GLU   A OE1   1 
ATOM   241  O  OE2   . GLU   A 1 46  ? -28.627 5.338   -4.984  1.00 14.12 ? 31  GLU   A OE2   1 
ATOM   242  N  N     . TYR   A 1 47  ? -24.425 2.284   -4.153  1.00 9.24  ? 32  TYR   A N     1 
ATOM   243  C  CA    . TYR   A 1 47  ? -23.068 2.862   -4.225  1.00 9.04  ? 32  TYR   A CA    1 
ATOM   244  C  C     . TYR   A 1 47  ? -23.012 3.704   -5.491  1.00 8.99  ? 32  TYR   A C     1 
ATOM   245  O  O     . TYR   A 1 47  ? -23.235 3.173   -6.589  1.00 8.83  ? 32  TYR   A O     1 
ATOM   246  C  CB    . TYR   A 1 47  ? -22.023 1.749   -4.203  1.00 9.04  ? 32  TYR   A CB    1 
ATOM   247  C  CG    . TYR   A 1 47  ? -20.653 2.168   -3.740  1.00 9.30  ? 32  TYR   A CG    1 
ATOM   248  C  CD1   . TYR   A 1 47  ? -20.322 2.104   -2.399  1.00 9.43  ? 32  TYR   A CD1   1 
ATOM   249  C  CD2   . TYR   A 1 47  ? -19.683 2.606   -4.626  1.00 9.46  ? 32  TYR   A CD2   1 
ATOM   250  C  CE1   . TYR   A 1 47  ? -19.061 2.448   -1.949  1.00 9.79  ? 32  TYR   A CE1   1 
ATOM   251  C  CE2   . TYR   A 1 47  ? -18.414 2.954   -4.194  1.00 10.13 ? 32  TYR   A CE2   1 
ATOM   252  C  CZ    . TYR   A 1 47  ? -18.106 2.879   -2.848  1.00 10.01 ? 32  TYR   A CZ    1 
ATOM   253  O  OH    . TYR   A 1 47  ? -16.868 3.212   -2.377  1.00 11.03 ? 32  TYR   A OH    1 
ATOM   254  N  N     . ASP   A 1 48  ? -22.739 4.994   -5.337  1.00 9.23  ? 33  ASP   A N     1 
ATOM   255  C  CA    . ASP   A 1 48  ? -22.787 5.969   -6.453  1.00 9.74  ? 33  ASP   A CA    1 
ATOM   256  C  C     . ASP   A 1 48  ? -22.029 5.395   -7.649  1.00 9.64  ? 33  ASP   A C     1 
ATOM   257  O  O     . ASP   A 1 48  ? -20.851 5.069   -7.528  1.00 9.42  ? 33  ASP   A O     1 
ATOM   258  C  CB    . ASP   A 1 48  ? -22.222 7.292   -5.951  1.00 10.40 ? 33  ASP   A CB    1 
ATOM   259  C  CG    . ASP   A 1 48  ? -22.247 8.440   -6.936  1.00 10.93 ? 33  ASP   A CG    1 
ATOM   260  O  OD1   . ASP   A 1 48  ? -22.133 8.190   -8.149  1.00 11.95 ? 33  ASP   A OD1   1 
ATOM   261  O  OD2   . ASP   A 1 48  ? -22.362 9.588   -6.465  1.00 12.20 ? 33  ASP   A OD2   1 
ATOM   262  N  N     . PRO   A 1 49  ? -22.677 5.282   -8.832  1.00 10.02 ? 34  PRO   A N     1 
ATOM   263  C  CA    . PRO   A 1 49  ? -22.048 4.671   -10.005 1.00 10.57 ? 34  PRO   A CA    1 
ATOM   264  C  C     . PRO   A 1 49  ? -21.027 5.576   -10.710 1.00 10.58 ? 34  PRO   A C     1 
ATOM   265  O  O     . PRO   A 1 49  ? -20.486 5.162   -11.724 1.00 11.19 ? 34  PRO   A O     1 
ATOM   266  C  CB    . PRO   A 1 49  ? -23.249 4.392   -10.921 1.00 10.95 ? 34  PRO   A CB    1 
ATOM   267  C  CG    . PRO   A 1 49  ? -24.193 5.527   -10.605 1.00 10.98 ? 34  PRO   A CG    1 
ATOM   268  C  CD    . PRO   A 1 49  ? -24.053 5.723   -9.110  1.00 10.68 ? 34  PRO   A CD    1 
ATOM   269  N  N     . THR   A 1 50  ? -20.761 6.763   -10.161 1.00 10.98 ? 35  THR   A N     1 
ATOM   270  C  CA    . THR   A 1 50  ? -19.695 7.665   -10.673 1.00 11.62 ? 35  THR   A CA    1 
ATOM   271  C  C     . THR   A 1 50  ? -18.425 7.533   -9.828  1.00 11.51 ? 35  THR   A C     1 
ATOM   272  O  O     . THR   A 1 50  ? -17.396 8.097   -10.231 1.00 12.44 ? 35  THR   A O     1 
ATOM   273  C  CB    . THR   A 1 50  ? -20.145 9.129   -10.739 1.00 12.40 ? 35  THR   A CB    1 
ATOM   274  O  OG1   . THR   A 1 50  ? -20.261 9.656   -9.419  1.00 13.08 ? 35  THR   A OG1   1 
ATOM   275  C  CG2   . THR   A 1 50  ? -21.450 9.309   -11.483 1.00 12.93 ? 35  THR   A CG2   1 
ATOM   276  N  N     . ILE   A 1 51  ? -18.492 6.802   -8.713  1.00 11.14 ? 36  ILE   A N     1 
ATOM   277  C  CA    . ILE   A 1 51  ? -17.286 6.668   -7.854  1.00 11.23 ? 36  ILE   A CA    1 
ATOM   278  C  C     . ILE   A 1 51  ? -16.365 5.577   -8.403  1.00 11.15 ? 36  ILE   A C     1 
ATOM   279  O  O     . ILE   A 1 51  ? -16.692 4.399   -8.274  1.00 11.13 ? 36  ILE   A O     1 
ATOM   280  C  CB    . ILE   A 1 51  ? -17.647 6.424   -6.378  1.00 11.35 ? 36  ILE   A CB    1 
ATOM   281  C  CG1   . ILE   A 1 51  ? -18.490 7.567   -5.804  1.00 11.69 ? 36  ILE   A CG1   1 
ATOM   282  C  CG2   . ILE   A 1 51  ? -16.373 6.223   -5.577  1.00 11.73 ? 36  ILE   A CG2   1 
ATOM   283  C  CD1   . ILE   A 1 51  ? -18.916 7.355   -4.365  1.00 12.02 ? 36  ILE   A CD1   1 
ATOM   284  N  N     . GLU   A 1 52  ? -15.257 6.004   -9.006  1.00 11.41 ? 37  GLU   A N     1 
ATOM   285  C  CA    . GLU   A 1 52  ? -14.198 5.084   -9.476  1.00 11.86 ? 37  GLU   A CA    1 
ATOM   286  C  C     . GLU   A 1 52  ? -12.995 5.336   -8.564  1.00 12.16 ? 37  GLU   A C     1 
ATOM   287  O  O     . GLU   A 1 52  ? -12.521 6.475   -8.485  1.00 12.94 ? 37  GLU   A O     1 
ATOM   288  C  CB    . GLU   A 1 52  ? -13.841 5.323   -10.942 1.00 11.90 ? 37  GLU   A CB    1 
ATOM   289  C  CG    . GLU   A 1 52  ? -12.672 4.463   -11.395 1.00 12.50 ? 37  GLU   A CG    1 
ATOM   290  C  CD    . GLU   A 1 52  ? -12.428 4.484   -12.891 1.00 12.98 ? 37  GLU   A CD    1 
ATOM   291  O  OE1   . GLU   A 1 52  ? -13.040 3.697   -13.596 1.00 13.08 ? 37  GLU   A OE1   1 
ATOM   292  O  OE2   . GLU   A 1 52  ? -11.613 5.298   -13.328 1.00 16.12 ? 37  GLU   A OE2   1 
ATOM   293  N  N     . ASP   A 1 53  ? -12.546 4.306   -7.868  1.00 12.04 ? 38  ASP   A N     1 
ATOM   294  C  CA    . ASP   A 1 53  ? -11.421 4.483   -6.927  1.00 12.30 ? 38  ASP   A CA    1 
ATOM   295  C  C     . ASP   A 1 53  ? -10.745 3.135   -6.734  1.00 11.71 ? 38  ASP   A C     1 
ATOM   296  O  O     . ASP   A 1 53  ? -11.304 2.104   -7.167  1.00 11.49 ? 38  ASP   A O     1 
ATOM   297  C  CB    . ASP   A 1 53  ? -11.910 5.062   -5.598  1.00 13.29 ? 38  ASP   A CB    1 
ATOM   298  C  CG    . ASP   A 1 53  ? -10.855 5.796   -4.782  1.00 14.31 ? 38  ASP   A CG    1 
ATOM   299  O  OD1   . ASP   A 1 53  ? -9.693  5.870   -5.232  1.00 15.22 ? 38  ASP   A OD1   1 
ATOM   300  O  OD2   . ASP   A 1 53  ? -11.211 6.285   -3.686  1.00 16.76 ? 38  ASP   A OD2   1 
ATOM   301  N  N     . SER   A 1 54  ? -9.563  3.165   -6.133  1.00 11.87 ? 39  SER   A N     1 
ATOM   302  C  CA    A SER   A 1 54  ? -8.841  1.943   -5.709  0.50 11.87 ? 39  SER   A CA    1 
ATOM   303  C  CA    B SER   A 1 54  ? -8.841  1.943   -5.707  0.50 12.05 ? 39  SER   A CA    1 
ATOM   304  C  C     . SER   A 1 54  ? -8.997  1.773   -4.195  1.00 11.78 ? 39  SER   A C     1 
ATOM   305  O  O     . SER   A 1 54  ? -9.108  2.791   -3.482  1.00 12.36 ? 39  SER   A O     1 
ATOM   306  C  CB    A SER   A 1 54  ? -7.398  1.967   -6.140  0.50 12.24 ? 39  SER   A CB    1 
ATOM   307  C  CB    B SER   A 1 54  ? -7.399  1.968   -6.130  0.50 12.65 ? 39  SER   A CB    1 
ATOM   308  O  OG    A SER   A 1 54  ? -6.753  3.149   -5.696  0.50 12.50 ? 39  SER   A OG    1 
ATOM   309  O  OG    B SER   A 1 54  ? -7.294  1.972   -7.545  0.50 13.48 ? 39  SER   A OG    1 
ATOM   310  N  N     . TYR   A 1 55  ? -9.096  0.513   -3.776  1.00 11.56 ? 40  TYR   A N     1 
ATOM   311  C  CA    . TYR   A 1 55  ? -9.281  0.110   -2.362  1.00 11.63 ? 40  TYR   A CA    1 
ATOM   312  C  C     . TYR   A 1 55  ? -8.219  -0.941  -2.045  1.00 11.92 ? 40  TYR   A C     1 
ATOM   313  O  O     . TYR   A 1 55  ? -7.968  -1.815  -2.881  1.00 12.27 ? 40  TYR   A O     1 
ATOM   314  C  CB    . TYR   A 1 55  ? -10.707 -0.396  -2.161  1.00 11.43 ? 40  TYR   A CB    1 
ATOM   315  C  CG    . TYR   A 1 55  ? -11.768 0.564   -2.644  1.00 11.53 ? 40  TYR   A CG    1 
ATOM   316  C  CD1   . TYR   A 1 55  ? -12.117 0.636   -3.981  1.00 11.08 ? 40  TYR   A CD1   1 
ATOM   317  C  CD2   . TYR   A 1 55  ? -12.424 1.405   -1.762  1.00 11.55 ? 40  TYR   A CD2   1 
ATOM   318  C  CE1   . TYR   A 1 55  ? -13.100 1.505   -4.430  1.00 11.16 ? 40  TYR   A CE1   1 
ATOM   319  C  CE2   . TYR   A 1 55  ? -13.403 2.284   -2.192  1.00 11.63 ? 40  TYR   A CE2   1 
ATOM   320  C  CZ    . TYR   A 1 55  ? -13.738 2.338   -3.532  1.00 11.33 ? 40  TYR   A CZ    1 
ATOM   321  O  OH    . TYR   A 1 55  ? -14.696 3.215   -3.949  1.00 11.95 ? 40  TYR   A OH    1 
ATOM   322  N  N     . ARG   A 1 56  ? -7.634  -0.849  -0.856  1.00 12.30 ? 41  ARG   A N     1 
ATOM   323  C  CA    . ARG   A 1 56  ? -6.490  -1.741  -0.536  1.00 13.11 ? 41  ARG   A CA    1 
ATOM   324  C  C     . ARG   A 1 56  ? -6.683  -2.469  0.789   1.00 13.22 ? 41  ARG   A C     1 
ATOM   325  O  O     . ARG   A 1 56  ? -7.269  -1.907  1.719   1.00 13.33 ? 41  ARG   A O     1 
ATOM   326  C  CB    . ARG   A 1 56  ? -5.217  -0.896  -0.462  1.00 14.25 ? 41  ARG   A CB    1 
ATOM   327  C  CG    . ARG   A 1 56  ? -4.894  -0.195  -1.774  1.00 15.59 ? 41  ARG   A CG    1 
ATOM   328  C  CD    . ARG   A 1 56  ? -3.904  0.948   -1.632  1.00 16.64 ? 41  ARG   A CD    1 
ATOM   329  N  NE    . ARG   A 1 56  ? -4.377  1.946   -0.692  1.00 17.81 ? 41  ARG   A NE    1 
ATOM   330  C  CZ    . ARG   A 1 56  ? -5.209  2.926   -0.999  1.00 18.77 ? 41  ARG   A CZ    1 
ATOM   331  N  NH1   . ARG   A 1 56  ? -5.660  3.050   -2.232  1.00 19.24 ? 41  ARG   A NH1   1 
ATOM   332  N  NH2   . ARG   A 1 56  ? -5.596  3.772   -0.065  1.00 19.68 ? 41  ARG   A NH2   1 
ATOM   333  N  N     . LYS   A 1 57  ? -6.123  -3.671  0.853   1.00 13.82 ? 42  LYS   A N     1 
ATOM   334  C  CA    . LYS   A 1 57  ? -6.185  -4.477  2.086   1.00 15.52 ? 42  LYS   A CA    1 
ATOM   335  C  C     . LYS   A 1 57  ? -5.021  -5.469  2.075   1.00 14.95 ? 42  LYS   A C     1 
ATOM   336  O  O     . LYS   A 1 57  ? -4.696  -5.976  1.019   1.00 14.45 ? 42  LYS   A O     1 
ATOM   337  C  CB    . LYS   A 1 57  ? -7.529  -5.215  2.083   1.00 17.60 ? 42  LYS   A CB    1 
ATOM   338  C  CG    . LYS   A 1 57  ? -7.808  -6.199  3.206   1.00 19.23 ? 42  LYS   A CG    1 
ATOM   339  C  CD    . LYS   A 1 57  ? -8.963  -7.114  2.868   1.00 20.46 ? 42  LYS   A CD    1 
ATOM   340  C  CE    . LYS   A 1 57  ? -9.493  -7.879  4.053   1.00 21.30 ? 42  LYS   A CE    1 
ATOM   341  N  NZ    . LYS   A 1 57  ? -10.763 -7.320  4.571   1.00 21.51 ? 42  LYS   A NZ    1 
ATOM   342  N  N     . GLN   A 1 58  ? -4.423  -5.665  3.243   1.00 15.31 ? 43  GLN   A N     1 
ATOM   343  C  CA    . GLN   A 1 58  ? -3.380  -6.701  3.413   1.00 16.07 ? 43  GLN   A CA    1 
ATOM   344  C  C     . GLN   A 1 58  ? -4.112  -8.003  3.755   1.00 15.30 ? 43  GLN   A C     1 
ATOM   345  O  O     . GLN   A 1 58  ? -4.989  -7.980  4.631   1.00 15.65 ? 43  GLN   A O     1 
ATOM   346  C  CB    . GLN   A 1 58  ? -2.423  -6.286  4.523   1.00 17.78 ? 43  GLN   A CB    1 
ATOM   347  C  CG    . GLN   A 1 58  ? -1.313  -7.293  4.755   1.00 19.34 ? 43  GLN   A CG    1 
ATOM   348  C  CD    . GLN   A 1 58  ? -0.453  -6.852  5.911   1.00 20.86 ? 43  GLN   A CD    1 
ATOM   349  O  OE1   . GLN   A 1 58  ? -0.360  -7.542  6.915   1.00 23.22 ? 43  GLN   A OE1   1 
ATOM   350  N  NE2   . GLN   A 1 58  ? 0.156   -5.689  5.777   1.00 21.90 ? 43  GLN   A NE2   1 
ATOM   351  N  N     . VAL   A 1 59  ? -3.788  -9.078  3.047   1.00 14.82 ? 44  VAL   A N     1 
ATOM   352  C  CA    . VAL   A 1 59  ? -4.433  -10.402 3.266   1.00 15.40 ? 44  VAL   A CA    1 
ATOM   353  C  C     . VAL   A 1 59  ? -3.349  -11.479 3.197   1.00 14.85 ? 44  VAL   A C     1 
ATOM   354  O  O     . VAL   A 1 59  ? -2.236  -11.182 2.763   1.00 15.71 ? 44  VAL   A O     1 
ATOM   355  C  CB    . VAL   A 1 59  ? -5.512  -10.679 2.196   1.00 16.33 ? 44  VAL   A CB    1 
ATOM   356  C  CG1   . VAL   A 1 59  ? -6.662  -9.685  2.265   1.00 17.04 ? 44  VAL   A CG1   1 
ATOM   357  C  CG2   . VAL   A 1 59  ? -4.928  -10.697 0.793   1.00 16.74 ? 44  VAL   A CG2   1 
ATOM   358  N  N     . VAL   A 1 60  ? -3.694  -12.688 3.621   1.00 15.18 ? 45  VAL   A N     1 
ATOM   359  C  CA    . VAL   A 1 60  ? -2.767  -13.846 3.479   1.00 14.97 ? 45  VAL   A CA    1 
ATOM   360  C  C     . VAL   A 1 60  ? -3.445  -14.803 2.495   1.00 14.61 ? 45  VAL   A C     1 
ATOM   361  O  O     . VAL   A 1 60  ? -4.586  -15.184 2.739   1.00 15.34 ? 45  VAL   A O     1 
ATOM   362  C  CB    . VAL   A 1 60  ? -2.445  -14.527 4.822   1.00 15.77 ? 45  VAL   A CB    1 
ATOM   363  C  CG1   . VAL   A 1 60  ? -1.500  -15.705 4.637   1.00 16.06 ? 45  VAL   A CG1   1 
ATOM   364  C  CG2   . VAL   A 1 60  ? -1.850  -13.541 5.809   1.00 16.14 ? 45  VAL   A CG2   1 
ATOM   365  N  N     . ILE   A 1 61  ? -2.761  -15.118 1.401   1.00 13.64 ? 46  ILE   A N     1 
ATOM   366  C  CA    . ILE   A 1 61  ? -3.267  -16.047 0.354   1.00 13.50 ? 46  ILE   A CA    1 
ATOM   367  C  C     . ILE   A 1 61  ? -2.218  -17.144 0.182   1.00 13.26 ? 46  ILE   A C     1 
ATOM   368  O  O     . ILE   A 1 61  ? -1.099  -16.824 -0.244  1.00 12.79 ? 46  ILE   A O     1 
ATOM   369  C  CB    . ILE   A 1 61  ? -3.559  -15.300 -0.962  1.00 13.50 ? 46  ILE   A CB    1 
ATOM   370  C  CG1   . ILE   A 1 61  ? -4.549  -14.151 -0.750  1.00 13.59 ? 46  ILE   A CG1   1 
ATOM   371  C  CG2   . ILE   A 1 61  ? -4.045  -16.274 -2.025  1.00 13.77 ? 46  ILE   A CG2   1 
ATOM   372  C  CD1   . ILE   A 1 61  ? -4.696  -13.226 -1.936  1.00 13.41 ? 46  ILE   A CD1   1 
ATOM   373  N  N     . ASP   A 1 62  ? -2.568  -18.384 0.523   1.00 13.72 ? 47  ASP   A N     1 
ATOM   374  C  CA    . ASP   A 1 62  ? -1.653  -19.550 0.410   1.00 14.12 ? 47  ASP   A CA    1 
ATOM   375  C  C     . ASP   A 1 62  ? -0.357  -19.236 1.168   1.00 13.90 ? 47  ASP   A C     1 
ATOM   376  O  O     . ASP   A 1 62  ? 0.733   -19.530 0.645   1.00 14.31 ? 47  ASP   A O     1 
ATOM   377  C  CB    . ASP   A 1 62  ? -1.392  -19.881 -1.060  1.00 14.75 ? 47  ASP   A CB    1 
ATOM   378  C  CG    . ASP   A 1 62  ? -2.662  -20.037 -1.877  1.00 15.53 ? 47  ASP   A CG    1 
ATOM   379  O  OD1   . ASP   A 1 62  ? -3.642  -20.587 -1.339  1.00 16.80 ? 47  ASP   A OD1   1 
ATOM   380  O  OD2   . ASP   A 1 62  ? -2.669  -19.592 -3.043  1.00 16.72 ? 47  ASP   A OD2   1 
ATOM   381  N  N     . GLY   A 1 63  ? -0.490  -18.622 2.347   1.00 13.78 ? 48  GLY   A N     1 
ATOM   382  C  CA    . GLY   A 1 63  ? 0.648   -18.323 3.241   1.00 14.04 ? 48  GLY   A CA    1 
ATOM   383  C  C     . GLY   A 1 63  ? 1.415   -17.059 2.878   1.00 14.27 ? 48  GLY   A C     1 
ATOM   384  O  O     . GLY   A 1 63  ? 2.300   -16.676 3.652   1.00 14.43 ? 48  GLY   A O     1 
ATOM   385  N  N     . GLU   A 1 64  ? 1.095   -16.431 1.744   1.00 14.13 ? 49  GLU   A N     1 
ATOM   386  C  CA    . GLU   A 1 64  ? 1.800   -15.196 1.313   1.00 14.94 ? 49  GLU   A CA    1 
ATOM   387  C  C     . GLU   A 1 64  ? 1.077   -13.946 1.832   1.00 15.04 ? 49  GLU   A C     1 
ATOM   388  O  O     . GLU   A 1 64  ? -0.131  -13.800 1.577   1.00 13.77 ? 49  GLU   A O     1 
ATOM   389  C  CB    . GLU   A 1 64  ? 1.894   -15.131 -0.216  1.00 15.43 ? 49  GLU   A CB    1 
ATOM   390  C  CG    . GLU   A 1 64  ? 2.677   -13.932 -0.717  1.00 16.40 ? 49  GLU   A CG    1 
ATOM   391  C  CD    . GLU   A 1 64  ? 2.660   -13.724 -2.222  1.00 17.43 ? 49  GLU   A CD    1 
ATOM   392  O  OE1   . GLU   A 1 64  ? 1.635   -13.994 -2.848  1.00 17.55 ? 49  GLU   A OE1   1 
ATOM   393  O  OE2   . GLU   A 1 64  ? 3.690   -13.330 -2.763  1.00 20.19 ? 49  GLU   A OE2   1 
ATOM   394  N  N     . THR   A 1 65  ? 1.778   -13.085 2.548   1.00 16.08 ? 50  THR   A N     1 
ATOM   395  C  CA    . THR   A 1 65  ? 1.187   -11.851 3.002   1.00 17.31 ? 50  THR   A CA    1 
ATOM   396  C  C     . THR   A 1 65  ? 1.269   -10.933 1.822   1.00 17.57 ? 50  THR   A C     1 
ATOM   397  O  O     . THR   A 1 65  ? 2.334   -10.716 1.263   1.00 18.86 ? 50  THR   A O     1 
ATOM   398  C  CB    . THR   A 1 65  ? 1.988   -11.225 4.146   1.00 18.57 ? 50  THR   A CB    1 
ATOM   399  O  OG1   . THR   A 1 65  ? 1.857   -12.058 5.287   1.00 20.03 ? 50  THR   A OG1   1 
ATOM   400  C  CG2   . THR   A 1 65  ? 1.462   -9.818  4.473   1.00 18.69 ? 50  THR   A CG2   1 
ATOM   401  N  N     . CYS   A 1 66  ? 0.138   -10.401 1.411   1.00 17.23 ? 51  CYS   A N     1 
ATOM   402  C  CA    . CYS   A 1 66  ? 0.211   -9.501  0.297   1.00 17.48 ? 51  CYS   A CA    1 
ATOM   403  C  C     . CYS   A 1 66  ? -0.804  -8.398  0.384   1.00 15.60 ? 51  CYS   A C     1 
ATOM   404  O  O     . CYS   A 1 66  ? -1.705  -8.404  1.215   1.00 15.53 ? 51  CYS   A O     1 
ATOM   405  C  CB    . CYS   A 1 66  ? 0.091   -10.254 -0.994  1.00 17.40 ? 51  CYS   A CB    1 
ATOM   406  S  SG    . CYS   A 1 66  ? -1.398  -11.230 -0.984  1.00 21.97 ? 51  CYS   A SG    1 
ATOM   407  N  N     . LEU   A 1 67  ? -0.576  -7.424  -0.468  1.00 14.49 ? 52  LEU   A N     1 
ATOM   408  C  CA    . LEU   A 1 67  ? -1.415  -6.257  -0.550  1.00 14.50 ? 52  LEU   A CA    1 
ATOM   409  C  C     . LEU   A 1 67  ? -2.268  -6.343  -1.799  1.00 13.63 ? 52  LEU   A C     1 
ATOM   410  O  O     . LEU   A 1 67  ? -1.736  -6.437  -2.888  1.00 14.44 ? 52  LEU   A O     1 
ATOM   411  C  CB    . LEU   A 1 67  ? -0.525  -5.012  -0.640  1.00 15.65 ? 52  LEU   A CB    1 
ATOM   412  C  CG    . LEU   A 1 67  ? -1.097  -3.597  -0.501  1.00 17.32 ? 52  LEU   A CG    1 
ATOM   413  C  CD1   . LEU   A 1 67  ? -1.569  -2.993  -1.805  1.00 18.22 ? 52  LEU   A CD1   1 
ATOM   414  C  CD2   . LEU   A 1 67  ? -2.150  -3.493  0.581   1.00 17.51 ? 52  LEU   A CD2   1 
ATOM   415  N  N     . LEU   A 1 68  ? -3.584  -6.396  -1.615  1.00 12.67 ? 53  LEU   A N     1 
ATOM   416  C  CA    . LEU   A 1 68  ? -4.540  -6.309  -2.745  1.00 12.61 ? 53  LEU   A CA    1 
ATOM   417  C  C     . LEU   A 1 68  ? -4.826  -4.834  -3.000  1.00 12.30 ? 53  LEU   A C     1 
ATOM   418  O  O     . LEU   A 1 68  ? -5.227  -4.124  -2.064  1.00 12.58 ? 53  LEU   A O     1 
ATOM   419  C  CB    . LEU   A 1 68  ? -5.827  -7.067  -2.426  1.00 13.13 ? 53  LEU   A CB    1 
ATOM   420  C  CG    . LEU   A 1 68  ? -5.658  -8.552  -2.117  1.00 13.66 ? 53  LEU   A CG    1 
ATOM   421  C  CD1   . LEU   A 1 68  ? -7.002  -9.259  -2.164  1.00 14.15 ? 53  LEU   A CD1   1 
ATOM   422  C  CD2   . LEU   A 1 68  ? -4.670  -9.216  -3.067  1.00 13.76 ? 53  LEU   A CD2   1 
ATOM   423  N  N     . ASP   A 1 69  ? -4.587  -4.405  -4.232  1.00 11.54 ? 54  ASP   A N     1 
ATOM   424  C  CA    . ASP   A 1 69  ? -4.809  -3.008  -4.680  1.00 12.00 ? 54  ASP   A CA    1 
ATOM   425  C  C     . ASP   A 1 69  ? -5.877  -3.116  -5.767  1.00 11.43 ? 54  ASP   A C     1 
ATOM   426  O  O     . ASP   A 1 69  ? -5.531  -3.463  -6.887  1.00 12.06 ? 54  ASP   A O     1 
ATOM   427  C  CB    . ASP   A 1 69  ? -3.481  -2.426  -5.157  1.00 12.86 ? 54  ASP   A CB    1 
ATOM   428  C  CG    . ASP   A 1 69  ? -3.514  -0.934  -5.414  1.00 14.04 ? 54  ASP   A CG    1 
ATOM   429  O  OD1   . ASP   A 1 69  ? -4.610  -0.386  -5.524  1.00 14.52 ? 54  ASP   A OD1   1 
ATOM   430  O  OD2   . ASP   A 1 69  ? -2.433  -0.356  -5.498  1.00 15.93 ? 54  ASP   A OD2   1 
ATOM   431  N  N     . ILE   A 1 70  ? -7.129  -2.839  -5.408  1.00 11.21 ? 55  ILE   A N     1 
ATOM   432  C  CA    . ILE   A 1 70  ? -8.280  -3.111  -6.317  1.00 11.03 ? 55  ILE   A CA    1 
ATOM   433  C  C     . ILE   A 1 70  ? -8.896  -1.836  -6.883  1.00 10.57 ? 55  ILE   A C     1 
ATOM   434  O  O     . ILE   A 1 70  ? -9.393  -1.030  -6.112  1.00 10.67 ? 55  ILE   A O     1 
ATOM   435  C  CB    . ILE   A 1 70  ? -9.331  -3.930  -5.550  1.00 11.71 ? 55  ILE   A CB    1 
ATOM   436  C  CG1   . ILE   A 1 70  ? -8.679  -5.178  -4.949  1.00 12.91 ? 55  ILE   A CG1   1 
ATOM   437  C  CG2   . ILE   A 1 70  ? -10.505 -4.273  -6.461  1.00 11.72 ? 55  ILE   A CG2   1 
ATOM   438  C  CD1   . ILE   A 1 70  ? -9.539  -5.917  -3.975  1.00 13.75 ? 55  ILE   A CD1   1 
ATOM   439  N  N     . LEU   A 1 71  ? -8.857  -1.709  -8.204  1.00 10.40 ? 56  LEU   A N     1 
ATOM   440  C  CA    . LEU   A 1 71  ? -9.526  -0.598  -8.918  1.00 10.48 ? 56  LEU   A CA    1 
ATOM   441  C  C     . LEU   A 1 71  ? -10.952 -1.032  -9.259  1.00 10.19 ? 56  LEU   A C     1 
ATOM   442  O  O     . LEU   A 1 71  ? -11.134 -1.979  -10.048 1.00 10.39 ? 56  LEU   A O     1 
ATOM   443  C  CB    . LEU   A 1 71  ? -8.746  -0.229  -10.180 1.00 11.11 ? 56  LEU   A CB    1 
ATOM   444  C  CG    . LEU   A 1 71  ? -9.403  0.848   -11.039 1.00 11.75 ? 56  LEU   A CG    1 
ATOM   445  C  CD1   . LEU   A 1 71  ? -9.541  2.147   -10.263 1.00 12.14 ? 56  LEU   A CD1   1 
ATOM   446  C  CD2   . LEU   A 1 71  ? -8.625  1.069   -12.326 1.00 12.10 ? 56  LEU   A CD2   1 
ATOM   447  N  N     . ASP   A 1 72  ? -11.919 -0.350  -8.656  1.00 10.02 ? 57  ASP   A N     1 
ATOM   448  C  CA    . ASP   A 1 72  ? -13.363 -0.526  -8.919  1.00 10.23 ? 57  ASP   A CA    1 
ATOM   449  C  C     . ASP   A 1 72  ? -13.742 0.494   -9.991  1.00 10.33 ? 57  ASP   A C     1 
ATOM   450  O  O     . ASP   A 1 72  ? -13.811 1.692   -9.669  1.00 10.85 ? 57  ASP   A O     1 
ATOM   451  C  CB    . ASP   A 1 72  ? -14.143 -0.335  -7.621  1.00 10.29 ? 57  ASP   A CB    1 
ATOM   452  C  CG    . ASP   A 1 72  ? -15.640 -0.278  -7.821  1.00 10.34 ? 57  ASP   A CG    1 
ATOM   453  O  OD1   . ASP   A 1 72  ? -16.117 -0.913  -8.775  1.00 10.70 ? 57  ASP   A OD1   1 
ATOM   454  O  OD2   . ASP   A 1 72  ? -16.309 0.401   -7.011  1.00 10.60 ? 57  ASP   A OD2   1 
ATOM   455  N  N     . THR   A 1 73  ? -13.942 0.049   -11.228 1.00 10.44 ? 58  THR   A N     1 
ATOM   456  C  CA    . THR   A 1 73  ? -14.162 0.972   -12.369 1.00 10.64 ? 58  THR   A CA    1 
ATOM   457  C  C     . THR   A 1 73  ? -15.590 1.512   -12.334 1.00 10.77 ? 58  THR   A C     1 
ATOM   458  O  O     . THR   A 1 73  ? -16.515 0.798   -11.925 1.00 10.74 ? 58  THR   A O     1 
ATOM   459  C  CB    . THR   A 1 73  ? -13.836 0.334   -13.721 1.00 11.03 ? 58  THR   A CB    1 
ATOM   460  O  OG1   . THR   A 1 73  ? -14.688 -0.791  -13.940 1.00 10.94 ? 58  THR   A OG1   1 
ATOM   461  C  CG2   . THR   A 1 73  ? -12.384 -0.080  -13.812 1.00 11.30 ? 58  THR   A CG2   1 
ATOM   462  N  N     . ALA   A 1 74  ? -15.757 2.750   -12.780 1.00 11.09 ? 59  ALA   A N     1 
ATOM   463  C  CA    . ALA   A 1 74  ? -17.051 3.459   -12.749 1.00 11.62 ? 59  ALA   A CA    1 
ATOM   464  C  C     . ALA   A 1 74  ? -16.985 4.667   -13.685 1.00 12.63 ? 59  ALA   A C     1 
ATOM   465  O  O     . ALA   A 1 74  ? -15.905 4.948   -14.243 1.00 13.02 ? 59  ALA   A O     1 
ATOM   466  C  CB    . ALA   A 1 74  ? -17.381 3.862   -11.330 1.00 11.61 ? 59  ALA   A CB    1 
ATOM   467  N  N     . GLY   A 1 75  ? -18.110 5.363   -13.833 1.00 14.07 ? 60  GLY   A N     1 
ATOM   468  C  CA    . GLY   A 1 75  ? -18.249 6.520   -14.736 1.00 15.62 ? 60  GLY   A CA    1 
ATOM   469  C  C     . GLY   A 1 75  ? -18.917 6.124   -16.040 1.00 17.60 ? 60  GLY   A C     1 
ATOM   470  O  O     . GLY   A 1 75  ? -19.970 5.478   -15.990 1.00 18.00 ? 60  GLY   A O     1 
ATOM   471  N  N     . GLN   A 1 76  ? -18.328 6.499   -17.177 1.00 21.46 ? 61  GLN   A N     1 
ATOM   472  C  CA    . GLN   A 1 76  ? -18.956 6.370   -18.520 1.00 23.62 ? 61  GLN   A CA    1 
ATOM   473  C  C     . GLN   A 1 76  ? -18.419 5.123   -19.233 1.00 23.87 ? 61  GLN   A C     1 
ATOM   474  O  O     . GLN   A 1 76  ? -17.201 4.859   -19.128 1.00 23.83 ? 61  GLN   A O     1 
ATOM   475  C  CB    . GLN   A 1 76  ? -18.685 7.630   -19.348 1.00 25.44 ? 61  GLN   A CB    1 
ATOM   476  C  CG    . GLN   A 1 76  ? -19.196 8.913   -18.704 1.00 26.82 ? 61  GLN   A CG    1 
ATOM   477  C  CD    . GLN   A 1 76  ? -20.684 9.103   -18.874 1.00 28.17 ? 61  GLN   A CD    1 
ATOM   478  O  OE1   . GLN   A 1 76  ? -21.192 9.220   -19.987 1.00 29.84 ? 61  GLN   A OE1   1 
ATOM   479  N  NE2   . GLN   A 1 76  ? -21.402 9.152   -17.763 1.00 28.87 ? 61  GLN   A NE2   1 
ATOM   480  N  N     . GLU   A 1 77  ? -19.285 4.457   -19.995 1.00 24.32 ? 62  GLU   A N     1 
ATOM   481  C  CA    . GLU   A 1 77  ? -18.891 3.342   -20.884 1.00 24.58 ? 62  GLU   A CA    1 
ATOM   482  C  C     . GLU   A 1 77  ? -18.302 4.018   -22.123 1.00 23.58 ? 62  GLU   A C     1 
ATOM   483  O  O     . GLU   A 1 77  ? -19.060 4.491   -22.969 1.00 24.58 ? 62  GLU   A O     1 
ATOM   484  C  CB    . GLU   A 1 77  ? -20.115 2.548   -21.329 1.00 26.17 ? 62  GLU   A CB    1 
ATOM   485  C  CG    . GLU   A 1 77  ? -20.039 1.079   -21.016 1.00 27.08 ? 62  GLU   A CG    1 
ATOM   486  C  CD    . GLU   A 1 77  ? -21.095 0.235   -21.697 1.00 28.17 ? 62  GLU   A CD    1 
ATOM   487  O  OE1   . GLU   A 1 77  ? -21.122 0.207   -22.933 1.00 28.99 ? 62  GLU   A OE1   1 
ATOM   488  O  OE2   . GLU   A 1 77  ? -21.874 -0.404  -20.978 1.00 29.02 ? 62  GLU   A OE2   1 
ATOM   489  N  N     . GLU   A 1 78  ? -16.986 4.102   -22.176 1.00 21.52 ? 63  GLU   A N     1 
ATOM   490  C  CA    . GLU   A 1 78  ? -16.251 4.777   -23.274 1.00 21.16 ? 63  GLU   A CA    1 
ATOM   491  C  C     . GLU   A 1 78  ? -14.816 4.259   -23.321 1.00 18.86 ? 63  GLU   A C     1 
ATOM   492  O  O     . GLU   A 1 78  ? -14.289 3.846   -22.267 1.00 18.59 ? 63  GLU   A O     1 
ATOM   493  C  CB    . GLU   A 1 78  ? -16.275 6.296   -23.085 1.00 23.51 ? 63  GLU   A CB    1 
ATOM   494  C  CG    . GLU   A 1 78  ? -15.374 6.786   -21.963 1.00 25.91 ? 63  GLU   A CG    1 
ATOM   495  C  CD    . GLU   A 1 78  ? -15.595 8.222   -21.514 1.00 27.91 ? 63  GLU   A CD    1 
ATOM   496  O  OE1   . GLU   A 1 78  ? -14.796 8.706   -20.688 1.00 30.05 ? 63  GLU   A OE1   1 
ATOM   497  O  OE2   . GLU   A 1 78  ? -16.563 8.854   -21.985 1.00 30.53 ? 63  GLU   A OE2   1 
ATOM   498  N  N     . TYR   A 1 79  ? -14.215 4.379   -24.499 1.00 16.87 ? 64  TYR   A N     1 
ATOM   499  C  CA    . TYR   A 1 79  ? -12.785 4.068   -24.698 1.00 16.36 ? 64  TYR   A CA    1 
ATOM   500  C  C     . TYR   A 1 79  ? -12.029 5.396   -24.645 1.00 16.49 ? 64  TYR   A C     1 
ATOM   501  O  O     . TYR   A 1 79  ? -12.503 6.390   -25.214 1.00 17.12 ? 64  TYR   A O     1 
ATOM   502  C  CB    . TYR   A 1 79  ? -12.522 3.525   -26.104 1.00 15.54 ? 64  TYR   A CB    1 
ATOM   503  C  CG    . TYR   A 1 79  ? -13.149 2.193   -26.427 1.00 14.86 ? 64  TYR   A CG    1 
ATOM   504  C  CD1   . TYR   A 1 79  ? -12.616 1.005   -25.951 1.00 14.85 ? 64  TYR   A CD1   1 
ATOM   505  C  CD2   . TYR   A 1 79  ? -14.266 2.118   -27.240 1.00 14.68 ? 64  TYR   A CD2   1 
ATOM   506  C  CE1   . TYR   A 1 79  ? -13.186 -0.219  -26.262 1.00 14.80 ? 64  TYR   A CE1   1 
ATOM   507  C  CE2   . TYR   A 1 79  ? -14.848 0.905   -27.557 1.00 14.79 ? 64  TYR   A CE2   1 
ATOM   508  C  CZ    . TYR   A 1 79  ? -14.309 -0.269  -27.067 1.00 14.66 ? 64  TYR   A CZ    1 
ATOM   509  O  OH    . TYR   A 1 79  ? -14.893 -1.461  -27.376 1.00 15.38 ? 64  TYR   A OH    1 
ATOM   510  N  N     . SER   A 1 80  ? -10.897 5.420   -23.949 1.00 16.65 ? 65  SER   A N     1 
ATOM   511  C  CA    . SER   A 1 80  ? -10.049 6.635   -23.972 1.00 17.12 ? 65  SER   A CA    1 
ATOM   512  C  C     . SER   A 1 80  ? -8.600  6.235   -23.702 1.00 17.10 ? 65  SER   A C     1 
ATOM   513  O  O     . SER   A 1 80  ? -8.385  5.235   -23.019 1.00 16.23 ? 65  SER   A O     1 
ATOM   514  C  CB    . SER   A 1 80  ? -10.534 7.703   -23.031 1.00 17.57 ? 65  SER   A CB    1 
ATOM   515  O  OG    . SER   A 1 80  ? -10.236 7.378   -21.684 1.00 18.09 ? 65  SER   A OG    1 
ATOM   516  N  N     . ALA   A 1 81  ? -7.659  6.972   -24.289 1.00 17.59 ? 66  ALA   A N     1 
ATOM   517  C  CA    . ALA   A 1 81  ? -6.224  6.721   -24.047 1.00 17.99 ? 66  ALA   A CA    1 
ATOM   518  C  C     . ALA   A 1 81  ? -5.951  6.955   -22.558 1.00 18.32 ? 66  ALA   A C     1 
ATOM   519  O  O     . ALA   A 1 81  ? -5.159  6.231   -21.980 1.00 18.57 ? 66  ALA   A O     1 
ATOM   520  C  CB    . ALA   A 1 81  ? -5.420  7.660   -24.905 1.00 18.27 ? 66  ALA   A CB    1 
ATOM   521  N  N     . MET   A 1 82  ? -6.597  7.965   -21.989 1.00 18.96 ? 67  MET   A N     1 
ATOM   522  C  CA    . MET   A 1 82  ? -6.491  8.333   -20.551 1.00 20.50 ? 67  MET   A CA    1 
ATOM   523  C  C     . MET   A 1 82  ? -6.842  7.115   -19.690 1.00 18.99 ? 67  MET   A C     1 
ATOM   524  O  O     . MET   A 1 82  ? -6.067  6.795   -18.769 1.00 19.03 ? 67  MET   A O     1 
ATOM   525  C  CB    . MET   A 1 82  ? -7.436  9.491   -20.213 1.00 23.25 ? 67  MET   A CB    1 
ATOM   526  C  CG    . MET   A 1 82  ? -7.203  10.085  -18.837 1.00 25.79 ? 67  MET   A CG    1 
ATOM   527  S  SD    . MET   A 1 82  ? -8.250  11.528  -18.515 1.00 31.07 ? 67  MET   A SD    1 
ATOM   528  C  CE    . MET   A 1 82  ? -7.633  12.674  -19.748 1.00 29.92 ? 67  MET   A CE    1 
ATOM   529  N  N     . ARG   A 1 83  ? -7.965  6.455   -19.984 1.00 17.37 ? 68  ARG   A N     1 
ATOM   530  C  CA    . ARG   A 1 83  ? -8.412  5.246   -19.245 1.00 16.69 ? 68  ARG   A CA    1 
ATOM   531  C  C     . ARG   A 1 83  ? -7.460  4.085   -19.552 1.00 16.64 ? 68  ARG   A C     1 
ATOM   532  O  O     . ARG   A 1 83  ? -7.054  3.396   -18.600 1.00 17.01 ? 68  ARG   A O     1 
ATOM   533  C  CB    . ARG   A 1 83  ? -9.862  4.897   -19.587 1.00 16.27 ? 68  ARG   A CB    1 
ATOM   534  C  CG    . ARG   A 1 83  ? -10.348 3.642   -18.878 1.00 16.06 ? 68  ARG   A CG    1 
ATOM   535  C  CD    . ARG   A 1 83  ? -11.823 3.366   -19.071 1.00 16.04 ? 68  ARG   A CD    1 
ATOM   536  N  NE    . ARG   A 1 83  ? -12.688 4.205   -18.255 1.00 16.22 ? 68  ARG   A NE    1 
ATOM   537  C  CZ    . ARG   A 1 83  ? -12.956 4.024   -16.962 1.00 15.99 ? 68  ARG   A CZ    1 
ATOM   538  N  NH1   . ARG   A 1 83  ? -12.405 3.030   -16.286 1.00 15.91 ? 68  ARG   A NH1   1 
ATOM   539  N  NH2   . ARG   A 1 83  ? -13.780 4.857   -16.351 1.00 16.03 ? 68  ARG   A NH2   1 
ATOM   540  N  N     . ASP   A 1 84  ? -7.098  3.884   -20.821 1.00 16.74 ? 69  ASP   A N     1 
ATOM   541  C  CA    . ASP   A 1 84  ? -6.149  2.819   -21.238 1.00 17.16 ? 69  ASP   A CA    1 
ATOM   542  C  C     . ASP   A 1 84  ? -4.902  2.876   -20.351 1.00 17.88 ? 69  ASP   A C     1 
ATOM   543  O  O     . ASP   A 1 84  ? -4.432  1.805   -19.929 1.00 18.45 ? 69  ASP   A O     1 
ATOM   544  C  CB    . ASP   A 1 84  ? -5.735  2.961   -22.703 1.00 17.10 ? 69  ASP   A CB    1 
ATOM   545  C  CG    . ASP   A 1 84  ? -6.818  2.605   -23.705 1.00 17.32 ? 69  ASP   A CG    1 
ATOM   546  O  OD1   . ASP   A 1 84  ? -7.873  2.091   -23.290 1.00 17.06 ? 69  ASP   A OD1   1 
ATOM   547  O  OD2   . ASP   A 1 84  ? -6.594  2.848   -24.903 1.00 17.76 ? 69  ASP   A OD2   1 
ATOM   548  N  N     . GLN   A 1 85  ? -4.397  4.083   -20.079 1.00 18.45 ? 70  GLN   A N     1 
ATOM   549  C  CA    . GLN   A 1 85  ? -3.117  4.311   -19.356 1.00 19.80 ? 70  GLN   A CA    1 
ATOM   550  C  C     . GLN   A 1 85  ? -3.193  3.699   -17.951 1.00 19.30 ? 70  GLN   A C     1 
ATOM   551  O  O     . GLN   A 1 85  ? -2.246  2.982   -17.573 1.00 20.22 ? 70  GLN   A O     1 
ATOM   552  C  CB    . GLN   A 1 85  ? -2.793  5.805   -19.296 1.00 21.53 ? 70  GLN   A CB    1 
ATOM   553  C  CG    . GLN   A 1 85  ? -1.420  6.108   -18.710 1.00 23.40 ? 70  GLN   A CG    1 
ATOM   554  C  CD    . GLN   A 1 85  ? -1.071  7.574   -18.793 1.00 25.06 ? 70  GLN   A CD    1 
ATOM   555  O  OE1   . GLN   A 1 85  ? -0.010  7.951   -19.286 1.00 28.00 ? 70  GLN   A OE1   1 
ATOM   556  N  NE2   . GLN   A 1 85  ? -1.969  8.418   -18.310 1.00 26.03 ? 70  GLN   A NE2   1 
ATOM   557  N  N     . TYR   A 1 86  ? -4.265  3.993   -17.214 1.00 18.50 ? 71  TYR   A N     1 
ATOM   558  C  CA    . TYR   A 1 86  ? -4.384  3.483   -15.821 1.00 17.90 ? 71  TYR   A CA    1 
ATOM   559  C  C     . TYR   A 1 86  ? -4.892  2.038   -15.788 1.00 17.69 ? 71  TYR   A C     1 
ATOM   560  O  O     . TYR   A 1 86  ? -4.496  1.298   -14.890 1.00 18.79 ? 71  TYR   A O     1 
ATOM   561  C  CB    . TYR   A 1 86  ? -5.100  4.468   -14.891 1.00 17.70 ? 71  TYR   A CB    1 
ATOM   562  C  CG    . TYR   A 1 86  ? -6.556  4.775   -15.135 1.00 17.28 ? 71  TYR   A CG    1 
ATOM   563  C  CD1   . TYR   A 1 86  ? -7.561  3.885   -14.796 1.00 17.16 ? 71  TYR   A CD1   1 
ATOM   564  C  CD2   . TYR   A 1 86  ? -6.929  6.009   -15.629 1.00 16.96 ? 71  TYR   A CD2   1 
ATOM   565  C  CE1   . TYR   A 1 86  ? -8.895  4.204   -14.983 1.00 16.83 ? 71  TYR   A CE1   1 
ATOM   566  C  CE2   . TYR   A 1 86  ? -8.256  6.348   -15.812 1.00 16.66 ? 71  TYR   A CE2   1 
ATOM   567  C  CZ    . TYR   A 1 86  ? -9.248  5.443   -15.487 1.00 16.84 ? 71  TYR   A CZ    1 
ATOM   568  O  OH    . TYR   A 1 86  ? -10.548 5.809   -15.678 1.00 17.01 ? 71  TYR   A OH    1 
ATOM   569  N  N     . MET   A 1 87  ? -5.742  1.655   -16.735 1.00 16.71 ? 72  MET   A N     1 
ATOM   570  C  CA    . MET   A 1 87  ? -6.250  0.255   -16.816 1.00 16.60 ? 72  MET   A CA    1 
ATOM   571  C  C     . MET   A 1 87  ? -5.079  -0.697  -17.097 1.00 16.98 ? 72  MET   A C     1 
ATOM   572  O  O     . MET   A 1 87  ? -5.083  -1.814  -16.549 1.00 16.93 ? 72  MET   A O     1 
ATOM   573  C  CB    . MET   A 1 87  ? -7.311  0.094   -17.908 1.00 16.53 ? 72  MET   A CB    1 
ATOM   574  C  CG    . MET   A 1 87  ? -8.548  0.941   -17.690 1.00 16.48 ? 72  MET   A CG    1 
ATOM   575  S  SD    . MET   A 1 87  ? -9.497  0.471   -16.233 1.00 16.46 ? 72  MET   A SD    1 
ATOM   576  C  CE    . MET   A 1 87  ? -10.443 -0.891  -16.912 1.00 16.06 ? 72  MET   A CE    1 
ATOM   577  N  N     . ARG   A 1 88  ? -4.106  -0.248  -17.898 1.00 17.62 ? 73  ARG   A N     1 
ATOM   578  C  CA    . ARG   A 1 88  ? -2.889  -1.003  -18.307 1.00 18.55 ? 73  ARG   A CA    1 
ATOM   579  C  C     . ARG   A 1 88  ? -2.055  -1.395  -17.077 1.00 17.76 ? 73  ARG   A C     1 
ATOM   580  O  O     . ARG   A 1 88  ? -1.323  -2.402  -17.166 1.00 18.31 ? 73  ARG   A O     1 
ATOM   581  C  CB    . ARG   A 1 88  ? -2.070  -0.143  -19.278 1.00 20.25 ? 73  ARG   A CB    1 
ATOM   582  C  CG    . ARG   A 1 88  ? -0.858  -0.834  -19.882 1.00 21.72 ? 73  ARG   A CG    1 
ATOM   583  C  CD    . ARG   A 1 88  ? -0.255  -0.009  -21.003 1.00 22.55 ? 73  ARG   A CD    1 
ATOM   584  N  NE    . ARG   A 1 88  ? -1.137  0.063   -22.167 1.00 23.68 ? 73  ARG   A NE    1 
ATOM   585  C  CZ    . ARG   A 1 88  ? -1.647  1.175   -22.701 1.00 24.23 ? 73  ARG   A CZ    1 
ATOM   586  N  NH1   . ARG   A 1 88  ? -1.374  2.370   -22.200 1.00 24.56 ? 73  ARG   A NH1   1 
ATOM   587  N  NH2   . ARG   A 1 88  ? -2.435  1.086   -23.760 1.00 24.68 ? 73  ARG   A NH2   1 
ATOM   588  N  N     . THR   A 1 89  ? -2.160  -0.645  -15.974 1.00 17.28 ? 74  THR   A N     1 
ATOM   589  C  CA    . THR   A 1 89  ? -1.398  -0.906  -14.719 1.00 17.24 ? 74  THR   A CA    1 
ATOM   590  C  C     . THR   A 1 89  ? -1.944  -2.164  -14.031 1.00 16.18 ? 74  THR   A C     1 
ATOM   591  O  O     . THR   A 1 89  ? -1.224  -2.727  -13.186 1.00 16.63 ? 74  THR   A O     1 
ATOM   592  C  CB    . THR   A 1 89  ? -1.415  0.290   -13.754 1.00 18.04 ? 74  THR   A CB    1 
ATOM   593  O  OG1   . THR   A 1 89  ? -2.718  0.426   -13.188 1.00 19.27 ? 74  THR   A OG1   1 
ATOM   594  C  CG2   . THR   A 1 89  ? -0.992  1.587   -14.409 1.00 18.55 ? 74  THR   A CG2   1 
ATOM   595  N  N     . GLY   A 1 90  ? -3.171  -2.581  -14.353 1.00 14.97 ? 75  GLY   A N     1 
ATOM   596  C  CA    . GLY   A 1 90  ? -3.773  -3.812  -13.808 1.00 14.41 ? 75  GLY   A CA    1 
ATOM   597  C  C     . GLY   A 1 90  ? -2.969  -5.041  -14.194 1.00 13.63 ? 75  GLY   A C     1 
ATOM   598  O  O     . GLY   A 1 90  ? -2.621  -5.182  -15.385 1.00 14.40 ? 75  GLY   A O     1 
ATOM   599  N  N     . GLU   A 1 91  ? -2.692  -5.919  -13.230 1.00 12.86 ? 76  GLU   A N     1 
ATOM   600  C  CA    . GLU   A 1 91  ? -1.998  -7.210  -13.471 1.00 13.11 ? 76  GLU   A CA    1 
ATOM   601  C  C     . GLU   A 1 91  ? -3.024  -8.303  -13.767 1.00 12.56 ? 76  GLU   A C     1 
ATOM   602  O  O     . GLU   A 1 91  ? -2.677  -9.292  -14.424 1.00 13.44 ? 76  GLU   A O     1 
ATOM   603  C  CB    . GLU   A 1 91  ? -1.167  -7.610  -12.258 1.00 13.82 ? 76  GLU   A CB    1 
ATOM   604  C  CG    . GLU   A 1 91  ? 0.007   -6.695  -12.001 1.00 14.74 ? 76  GLU   A CG    1 
ATOM   605  C  CD    . GLU   A 1 91  ? 0.719   -7.067  -10.718 1.00 15.88 ? 76  GLU   A CD    1 
ATOM   606  O  OE1   . GLU   A 1 91  ? 0.232   -6.678  -9.643  1.00 16.22 ? 76  GLU   A OE1   1 
ATOM   607  O  OE2   . GLU   A 1 91  ? 1.712   -7.819  -10.794 1.00 18.23 ? 76  GLU   A OE2   1 
ATOM   608  N  N     . GLY   A 1 92  ? -4.240  -8.144  -13.255 1.00 11.88 ? 77  GLY   A N     1 
ATOM   609  C  CA    . GLY   A 1 92  ? -5.330  -9.107  -13.468 1.00 11.55 ? 77  GLY   A CA    1 
ATOM   610  C  C     . GLY   A 1 92  ? -6.664  -8.401  -13.471 1.00 10.86 ? 77  GLY   A C     1 
ATOM   611  O  O     . GLY   A 1 92  ? -6.786  -7.348  -12.819 1.00 11.03 ? 77  GLY   A O     1 
ATOM   612  N  N     . PHE   A 1 93  ? -7.635  -8.979  -14.166 1.00 10.68 ? 78  PHE   A N     1 
ATOM   613  C  CA    . PHE   A 1 93  ? -8.970  -8.378  -14.366 1.00 10.78 ? 78  PHE   A CA    1 
ATOM   614  C  C     . PHE   A 1 93  ? -10.040 -9.348  -13.885 1.00 10.68 ? 78  PHE   A C     1 
ATOM   615  O  O     . PHE   A 1 93  ? -10.061 -10.524 -14.286 1.00 10.88 ? 78  PHE   A O     1 
ATOM   616  C  CB    . PHE   A 1 93  ? -9.154  -7.986  -15.830 1.00 11.17 ? 78  PHE   A CB    1 
ATOM   617  C  CG    . PHE   A 1 93  ? -8.199  -6.901  -16.252 1.00 11.65 ? 78  PHE   A CG    1 
ATOM   618  C  CD1   . PHE   A 1 93  ? -6.885  -7.208  -16.572 1.00 12.11 ? 78  PHE   A CD1   1 
ATOM   619  C  CD2   . PHE   A 1 93  ? -8.588  -5.571  -16.259 1.00 12.38 ? 78  PHE   A CD2   1 
ATOM   620  C  CE1   . PHE   A 1 93  ? -5.988  -6.212  -16.917 1.00 12.61 ? 78  PHE   A CE1   1 
ATOM   621  C  CE2   . PHE   A 1 93  ? -7.690  -4.577  -16.614 1.00 12.70 ? 78  PHE   A CE2   1 
ATOM   622  C  CZ    . PHE   A 1 93  ? -6.393  -4.901  -16.941 1.00 12.77 ? 78  PHE   A CZ    1 
ATOM   623  N  N     . LEU   A 1 94  ? -10.914 -8.834  -13.028 1.00 10.59 ? 79  LEU   A N     1 
ATOM   624  C  CA    . LEU   A 1 94  ? -12.149 -9.520  -12.604 1.00 11.16 ? 79  LEU   A CA    1 
ATOM   625  C  C     . LEU   A 1 94  ? -13.253 -9.035  -13.539 1.00 10.84 ? 79  LEU   A C     1 
ATOM   626  O  O     . LEU   A 1 94  ? -13.590 -7.835  -13.494 1.00 11.02 ? 79  LEU   A O     1 
ATOM   627  C  CB    . LEU   A 1 94  ? -12.439 -9.168  -11.147 1.00 11.76 ? 79  LEU   A CB    1 
ATOM   628  C  CG    . LEU   A 1 94  ? -13.211 -10.229 -10.375 1.00 12.18 ? 79  LEU   A CG    1 
ATOM   629  C  CD1   . LEU   A 1 94  ? -12.323 -11.432 -10.073 1.00 12.36 ? 79  LEU   A CD1   1 
ATOM   630  C  CD2   . LEU   A 1 94  ? -13.787 -9.640  -9.101  1.00 12.47 ? 79  LEU   A CD2   1 
ATOM   631  N  N     . CYS   A 1 95  ? -13.709 -9.922  -14.424 1.00 10.79 ? 80  CYS   A N     1 
ATOM   632  C  CA    . CYS   A 1 95  ? -14.749 -9.595  -15.437 1.00 10.86 ? 80  CYS   A CA    1 
ATOM   633  C  C     . CYS   A 1 95  ? -16.087 -10.047 -14.859 1.00 10.21 ? 80  CYS   A C     1 
ATOM   634  O  O     . CYS   A 1 95  ? -16.330 -11.250 -14.807 1.00 10.28 ? 80  CYS   A O     1 
ATOM   635  C  CB    . CYS   A 1 95  ? -14.427 -10.272 -16.763 1.00 11.98 ? 80  CYS   A CB    1 
ATOM   636  S  SG    . CYS   A 1 95  ? -12.866 -9.674  -17.464 1.00 15.43 ? 80  CYS   A SG    1 
ATOM   637  N  N     . VAL   A 1 96  ? -16.893 -9.072  -14.446 1.00 9.84  ? 81  VAL   A N     1 
ATOM   638  C  CA    . VAL   A 1 96  ? -18.134 -9.362  -13.683 1.00 9.52  ? 81  VAL   A CA    1 
ATOM   639  C  C     . VAL   A 1 96  ? -19.396 -9.144  -14.518 1.00 9.58  ? 81  VAL   A C     1 
ATOM   640  O  O     . VAL   A 1 96  ? -19.518 -8.118  -15.175 1.00 9.58  ? 81  VAL   A O     1 
ATOM   641  C  CB    . VAL   A 1 96  ? -18.189 -8.482  -12.417 1.00 9.36  ? 81  VAL   A CB    1 
ATOM   642  C  CG1   . VAL   A 1 96  ? -19.394 -8.831  -11.547 1.00 9.26  ? 81  VAL   A CG1   1 
ATOM   643  C  CG2   . VAL   A 1 96  ? -16.888 -8.527  -11.614 1.00 9.51  ? 81  VAL   A CG2   1 
ATOM   644  N  N     . PHE   A 1 97  ? -20.284 -10.127 -14.464 1.00 9.71  ? 82  PHE   A N     1 
ATOM   645  C  CA    . PHE   A 1 97  ? -21.661 -9.971  -14.998 1.00 9.80  ? 82  PHE   A CA    1 
ATOM   646  C  C     . PHE   A 1 97  ? -22.618 -10.370 -13.867 1.00 9.90  ? 82  PHE   A C     1 
ATOM   647  O  O     . PHE   A 1 97  ? -22.182 -10.974 -12.876 1.00 10.06 ? 82  PHE   A O     1 
ATOM   648  C  CB    . PHE   A 1 97  ? -21.905 -10.805 -16.260 1.00 9.94  ? 82  PHE   A CB    1 
ATOM   649  C  CG    . PHE   A 1 97  ? -21.945 -12.296 -16.036 1.00 10.10 ? 82  PHE   A CG    1 
ATOM   650  C  CD1   . PHE   A 1 97  ? -20.774 -13.035 -16.032 1.00 10.42 ? 82  PHE   A CD1   1 
ATOM   651  C  CD2   . PHE   A 1 97  ? -23.145 -12.961 -15.831 1.00 10.33 ? 82  PHE   A CD2   1 
ATOM   652  C  CE1   . PHE   A 1 97  ? -20.804 -14.405 -15.821 1.00 10.36 ? 82  PHE   A CE1   1 
ATOM   653  C  CE2   . PHE   A 1 97  ? -23.173 -14.330 -15.615 1.00 10.42 ? 82  PHE   A CE2   1 
ATOM   654  C  CZ    . PHE   A 1 97  ? -22.002 -15.054 -15.610 1.00 10.58 ? 82  PHE   A CZ    1 
ATOM   655  N  N     . ALA   A 1 98  ? -23.893 -10.013 -13.999 1.00 10.01 ? 83  ALA   A N     1 
ATOM   656  C  CA    . ALA   A 1 98  ? -24.902 -10.421 -12.994 1.00 10.50 ? 83  ALA   A CA    1 
ATOM   657  C  C     . ALA   A 1 98  ? -25.694 -11.586 -13.601 1.00 10.56 ? 83  ALA   A C     1 
ATOM   658  O  O     . ALA   A 1 98  ? -26.057 -11.489 -14.770 1.00 10.97 ? 83  ALA   A O     1 
ATOM   659  C  CB    . ALA   A 1 98  ? -25.776 -9.253  -12.624 1.00 10.57 ? 83  ALA   A CB    1 
ATOM   660  N  N     . ILE   A 1 99  ? -25.963 -12.624 -12.811 1.00 11.03 ? 84  ILE   A N     1 
ATOM   661  C  CA    . ILE   A 1 99  ? -26.595 -13.875 -13.325 1.00 11.79 ? 84  ILE   A CA    1 
ATOM   662  C  C     . ILE   A 1 99  ? -28.050 -13.612 -13.729 1.00 12.09 ? 84  ILE   A C     1 
ATOM   663  O  O     . ILE   A 1 99  ? -28.617 -14.487 -14.410 1.00 12.45 ? 84  ILE   A O     1 
ATOM   664  C  CB    . ILE   A 1 99  ? -26.486 -15.031 -12.316 1.00 12.42 ? 84  ILE   A CB    1 
ATOM   665  C  CG1   . ILE   A 1 99  ? -27.249 -14.757 -11.018 1.00 13.04 ? 84  ILE   A CG1   1 
ATOM   666  C  CG2   . ILE   A 1 99  ? -25.025 -15.364 -12.063 1.00 12.45 ? 84  ILE   A CG2   1 
ATOM   667  C  CD1   . ILE   A 1 99  ? -27.569 -16.001 -10.222 1.00 13.50 ? 84  ILE   A CD1   1 
ATOM   668  N  N     . ASN   A 1 100 ? -28.619 -12.457 -13.375 1.00 12.65 ? 85  ASN   A N     1 
ATOM   669  C  CA    . ASN   A 1 100 ? -30.014 -12.083 -13.732 1.00 13.47 ? 85  ASN   A CA    1 
ATOM   670  C  C     . ASN   A 1 100 ? -30.028 -10.974 -14.795 1.00 13.95 ? 85  ASN   A C     1 
ATOM   671  O  O     . ASN   A 1 100 ? -31.099 -10.372 -14.992 1.00 14.75 ? 85  ASN   A O     1 
ATOM   672  C  CB    . ASN   A 1 100 ? -30.802 -11.662 -12.488 1.00 13.77 ? 85  ASN   A CB    1 
ATOM   673  C  CG    . ASN   A 1 100 ? -30.276 -10.395 -11.847 1.00 13.81 ? 85  ASN   A CG    1 
ATOM   674  O  OD1   . ASN   A 1 100 ? -29.152 -9.972  -12.117 1.00 13.65 ? 85  ASN   A OD1   1 
ATOM   675  N  ND2   . ASN   A 1 100 ? -31.083 -9.780  -10.999 1.00 14.69 ? 85  ASN   A ND2   1 
ATOM   676  N  N     . ASN   A 1 101 ? -28.908 -10.726 -15.480 1.00 14.21 ? 86  ASN   A N     1 
ATOM   677  C  CA    . ASN   A 1 101 ? -28.754 -9.630  -16.477 1.00 14.45 ? 86  ASN   A CA    1 
ATOM   678  C  C     . ASN   A 1 101 ? -28.021 -10.197 -17.699 1.00 14.23 ? 86  ASN   A C     1 
ATOM   679  O  O     . ASN   A 1 101 ? -26.780 -10.179 -17.723 1.00 13.14 ? 86  ASN   A O     1 
ATOM   680  C  CB    . ASN   A 1 101 ? -28.068 -8.417  -15.835 1.00 15.15 ? 86  ASN   A CB    1 
ATOM   681  C  CG    . ASN   A 1 101 ? -27.832 -7.230  -16.751 1.00 16.60 ? 86  ASN   A CG    1 
ATOM   682  O  OD1   . ASN   A 1 101 ? -27.918 -7.329  -17.970 1.00 16.65 ? 86  ASN   A OD1   1 
ATOM   683  N  ND2   . ASN   A 1 101 ? -27.474 -6.097  -16.167 1.00 17.67 ? 86  ASN   A ND2   1 
ATOM   684  N  N     . THR   A 1 102 ? -28.769 -10.703 -18.680 1.00 14.62 ? 87  THR   A N     1 
ATOM   685  C  CA    . THR   A 1 102 ? -28.201 -11.345 -19.893 1.00 15.22 ? 87  THR   A CA    1 
ATOM   686  C  C     . THR   A 1 102 ? -27.316 -10.335 -20.631 1.00 14.31 ? 87  THR   A C     1 
ATOM   687  O  O     . THR   A 1 102 ? -26.252 -10.739 -21.116 1.00 14.14 ? 87  THR   A O     1 
ATOM   688  C  CB    . THR   A 1 102 ? -29.306 -11.928 -20.783 1.00 16.52 ? 87  THR   A CB    1 
ATOM   689  O  OG1   . THR   A 1 102 ? -29.948 -12.954 -20.025 1.00 18.26 ? 87  THR   A OG1   1 
ATOM   690  C  CG2   . THR   A 1 102 ? -28.787 -12.494 -22.087 1.00 17.30 ? 87  THR   A CG2   1 
ATOM   691  N  N     . LYS   A 1 103 ? -27.721 -9.066  -20.703 1.00 14.50 ? 88  LYS   A N     1 
ATOM   692  C  CA    . LYS   A 1 103 ? -26.942 -8.030  -21.427 1.00 15.03 ? 88  LYS   A CA    1 
ATOM   693  C  C     . LYS   A 1 103 ? -25.545 -7.920  -20.802 1.00 13.77 ? 88  LYS   A C     1 
ATOM   694  O  O     . LYS   A 1 103 ? -24.569 -7.819  -21.556 1.00 13.79 ? 88  LYS   A O     1 
ATOM   695  C  CB    . LYS   A 1 103 ? -27.661 -6.679  -21.428 1.00 16.82 ? 88  LYS   A CB    1 
ATOM   696  C  CG    . LYS   A 1 103 ? -26.883 -5.574  -22.127 1.00 18.74 ? 88  LYS   A CG    1 
ATOM   697  C  CD    . LYS   A 1 103 ? -27.685 -4.343  -22.474 1.00 20.64 ? 88  LYS   A CD    1 
ATOM   698  C  CE    . LYS   A 1 103 ? -26.963 -3.435  -23.448 1.00 21.90 ? 88  LYS   A CE    1 
ATOM   699  N  NZ    . LYS   A 1 103 ? -25.546 -3.221  -23.067 1.00 23.12 ? 88  LYS   A NZ    1 
ATOM   700  N  N     . SER   A 1 104 ? -25.443 -7.953  -19.469 1.00 12.95 ? 89  SER   A N     1 
ATOM   701  C  CA    . SER   A 1 104 ? -24.142 -7.827  -18.758 1.00 12.23 ? 89  SER   A CA    1 
ATOM   702  C  C     . SER   A 1 104 ? -23.240 -9.014  -19.122 1.00 12.06 ? 89  SER   A C     1 
ATOM   703  O  O     . SER   A 1 104 ? -22.020 -8.818  -19.250 1.00 12.42 ? 89  SER   A O     1 
ATOM   704  C  CB    . SER   A 1 104 ? -24.314 -7.668  -17.262 1.00 11.86 ? 89  SER   A CB    1 
ATOM   705  O  OG    . SER   A 1 104 ? -24.706 -8.878  -16.631 1.00 11.54 ? 89  SER   A OG    1 
ATOM   706  N  N     . PHE   A 1 105 ? -23.821 -10.200 -19.304 1.00 12.20 ? 90  PHE   A N     1 
ATOM   707  C  CA    . PHE   A 1 105 ? -23.090 -11.411 -19.750 1.00 12.62 ? 90  PHE   A CA    1 
ATOM   708  C  C     . PHE   A 1 105 ? -22.613 -11.207 -21.192 1.00 13.17 ? 90  PHE   A C     1 
ATOM   709  O  O     . PHE   A 1 105 ? -21.443 -11.489 -21.496 1.00 13.45 ? 90  PHE   A O     1 
ATOM   710  C  CB    . PHE   A 1 105 ? -23.970 -12.653 -19.615 1.00 12.40 ? 90  PHE   A CB    1 
ATOM   711  C  CG    . PHE   A 1 105 ? -23.303 -13.932 -20.046 1.00 12.48 ? 90  PHE   A CG    1 
ATOM   712  C  CD1   . PHE   A 1 105 ? -22.240 -14.451 -19.326 1.00 12.57 ? 90  PHE   A CD1   1 
ATOM   713  C  CD2   . PHE   A 1 105 ? -23.729 -14.609 -21.178 1.00 12.68 ? 90  PHE   A CD2   1 
ATOM   714  C  CE1   . PHE   A 1 105 ? -21.624 -15.627 -19.724 1.00 12.80 ? 90  PHE   A CE1   1 
ATOM   715  C  CE2   . PHE   A 1 105 ? -23.111 -15.783 -21.575 1.00 13.01 ? 90  PHE   A CE2   1 
ATOM   716  C  CZ    . PHE   A 1 105 ? -22.061 -16.292 -20.847 1.00 13.10 ? 90  PHE   A CZ    1 
ATOM   717  N  N     . GLU   A 1 106 ? -23.494 -10.706 -22.060 1.00 14.41 ? 91  GLU   A N     1 
ATOM   718  C  CA    . GLU   A 1 106 ? -23.163 -10.457 -23.490 1.00 15.84 ? 91  GLU   A CA    1 
ATOM   719  C  C     . GLU   A 1 106 ? -22.055 -9.402  -23.609 1.00 16.16 ? 91  GLU   A C     1 
ATOM   720  O  O     . GLU   A 1 106 ? -21.295 -9.469  -24.591 1.00 17.28 ? 91  GLU   A O     1 
ATOM   721  C  CB    . GLU   A 1 106 ? -24.408 -10.034 -24.266 1.00 17.09 ? 91  GLU   A CB    1 
ATOM   722  C  CG    . GLU   A 1 106 ? -25.429 -11.146 -24.373 1.00 17.99 ? 91  GLU   A CG    1 
ATOM   723  C  CD    . GLU   A 1 106 ? -26.589 -10.862 -25.306 1.00 18.99 ? 91  GLU   A CD    1 
ATOM   724  O  OE1   . GLU   A 1 106 ? -26.473 -9.934  -26.132 1.00 20.91 ? 91  GLU   A OE1   1 
ATOM   725  O  OE2   . GLU   A 1 106 ? -27.593 -11.586 -25.214 1.00 19.96 ? 91  GLU   A OE2   1 
ATOM   726  N  N     . ASP   A 1 107 ? -21.951 -8.472  -22.651 1.00 16.43 ? 92  ASP   A N     1 
ATOM   727  C  CA    . ASP   A 1 107 ? -20.949 -7.371  -22.678 1.00 16.80 ? 92  ASP   A CA    1 
ATOM   728  C  C     . ASP   A 1 107 ? -19.532 -7.905  -22.440 1.00 16.06 ? 92  ASP   A C     1 
ATOM   729  O  O     . ASP   A 1 107 ? -18.575 -7.206  -22.823 1.00 16.17 ? 92  ASP   A O     1 
ATOM   730  C  CB    . ASP   A 1 107 ? -21.214 -6.312  -21.604 1.00 17.96 ? 92  ASP   A CB    1 
ATOM   731  C  CG    . ASP   A 1 107 ? -22.380 -5.383  -21.881 1.00 19.55 ? 92  ASP   A CG    1 
ATOM   732  O  OD1   . ASP   A 1 107 ? -22.903 -5.397  -23.015 1.00 21.05 ? 92  ASP   A OD1   1 
ATOM   733  O  OD2   . ASP   A 1 107 ? -22.748 -4.642  -20.953 1.00 20.80 ? 92  ASP   A OD2   1 
ATOM   734  N  N     . ILE   A 1 108 ? -19.405 -9.037  -21.745 1.00 15.36 ? 93  ILE   A N     1 
ATOM   735  C  CA    . ILE   A 1 108 ? -18.076 -9.557  -21.296 1.00 15.32 ? 93  ILE   A CA    1 
ATOM   736  C  C     . ILE   A 1 108 ? -17.052 -9.573  -22.441 1.00 15.82 ? 93  ILE   A C     1 
ATOM   737  O  O     . ILE   A 1 108 ? -15.922 -9.184  -22.225 1.00 16.18 ? 93  ILE   A O     1 
ATOM   738  C  CB    . ILE   A 1 108 ? -18.218 -10.934 -20.616 1.00 14.71 ? 93  ILE   A CB    1 
ATOM   739  C  CG1   . ILE   A 1 108 ? -18.953 -10.853 -19.273 1.00 14.37 ? 93  ILE   A CG1   1 
ATOM   740  C  CG2   . ILE   A 1 108 ? -16.866 -11.611 -20.469 1.00 14.91 ? 93  ILE   A CG2   1 
ATOM   741  C  CD1   . ILE   A 1 108 ? -18.198 -10.114 -18.187 1.00 14.20 ? 93  ILE   A CD1   1 
ATOM   742  N  N     . HIS   A 1 109 ? -17.471 -9.988  -23.629 1.00 16.29 ? 94  HIS   A N     1 
ATOM   743  C  CA    A HIS   A 1 109 ? -16.613 -10.087 -24.843 0.50 16.83 ? 94  HIS   A CA    1 
ATOM   744  C  CA    B HIS   A 1 109 ? -16.539 -10.119 -24.781 0.50 16.57 ? 94  HIS   A CA    1 
ATOM   745  C  C     . HIS   A 1 109 ? -15.881 -8.761  -25.075 1.00 16.11 ? 94  HIS   A C     1 
ATOM   746  O  O     . HIS   A 1 109 ? -14.668 -8.777  -25.344 1.00 16.11 ? 94  HIS   A O     1 
ATOM   747  C  CB    A HIS   A 1 109 ? -17.482 -10.484 -26.047 0.50 17.79 ? 94  HIS   A CB    1 
ATOM   748  C  CB    B HIS   A 1 109 ? -17.227 -10.777 -25.985 0.50 17.13 ? 94  HIS   A CB    1 
ATOM   749  C  CG    A HIS   A 1 109 ? -16.773 -10.449 -27.359 0.50 18.56 ? 94  HIS   A CG    1 
ATOM   750  C  CG    B HIS   A 1 109 ? -18.037 -9.851  -26.825 0.50 17.48 ? 94  HIS   A CG    1 
ATOM   751  N  ND1   A HIS   A 1 109 ? -15.965 -11.483 -27.788 0.50 19.08 ? 94  HIS   A ND1   1 
ATOM   752  N  ND1   B HIS   A 1 109 ? -19.281 -9.399  -26.438 0.50 17.89 ? 94  HIS   A ND1   1 
ATOM   753  C  CD2   A HIS   A 1 109 ? -16.756 -9.520  -28.338 0.50 19.18 ? 94  HIS   A CD2   1 
ATOM   754  C  CD2   B HIS   A 1 109 ? -17.799 -9.316  -28.041 0.50 17.64 ? 94  HIS   A CD2   1 
ATOM   755  C  CE1   A HIS   A 1 109 ? -15.474 -11.190 -28.973 0.50 19.18 ? 94  HIS   A CE1   1 
ATOM   756  C  CE1   B HIS   A 1 109 ? -19.772 -8.614  -27.375 0.50 17.76 ? 94  HIS   A CE1   1 
ATOM   757  N  NE2   A HIS   A 1 109 ? -15.945 -9.990  -29.336 0.50 19.10 ? 94  HIS   A NE2   1 
ATOM   758  N  NE2   B HIS   A 1 109 ? -18.883 -8.550  -28.370 0.50 18.14 ? 94  HIS   A NE2   1 
ATOM   759  N  N     . HIS   A 1 110 ? -16.612 -7.646  -24.993 1.00 15.77 ? 95  HIS   A N     1 
ATOM   760  C  CA    . HIS   A 1 110 ? -16.056 -6.288  -25.242 1.00 15.94 ? 95  HIS   A CA    1 
ATOM   761  C  C     . HIS   A 1 110 ? -14.962 -5.973  -24.218 1.00 15.14 ? 95  HIS   A C     1 
ATOM   762  O  O     . HIS   A 1 110 ? -13.967 -5.337  -24.595 1.00 14.56 ? 95  HIS   A O     1 
ATOM   763  C  CB    . HIS   A 1 110 ? -17.150 -5.217  -25.234 1.00 16.61 ? 95  HIS   A CB    1 
ATOM   764  C  CG    . HIS   A 1 110 ? -18.063 -5.296  -26.407 1.00 17.22 ? 95  HIS   A CG    1 
ATOM   765  N  ND1   . HIS   A 1 110 ? -19.336 -4.766  -26.386 1.00 18.51 ? 95  HIS   A ND1   1 
ATOM   766  C  CD2   . HIS   A 1 110 ? -17.902 -5.855  -27.626 1.00 17.88 ? 95  HIS   A CD2   1 
ATOM   767  C  CE1   . HIS   A 1 110 ? -19.914 -4.981  -27.550 1.00 18.93 ? 95  HIS   A CE1   1 
ATOM   768  N  NE2   . HIS   A 1 110 ? -19.057 -5.646  -28.326 1.00 18.86 ? 95  HIS   A NE2   1 
ATOM   769  N  N     . TYR   A 1 111 ? -15.141 -6.397  -22.964 1.00 14.29 ? 96  TYR   A N     1 
ATOM   770  C  CA    . TYR   A 1 111 ? -14.143 -6.197  -21.883 1.00 14.33 ? 96  TYR   A CA    1 
ATOM   771  C  C     . TYR   A 1 111 ? -12.906 -7.047  -22.172 1.00 14.49 ? 96  TYR   A C     1 
ATOM   772  O  O     . TYR   A 1 111 ? -11.798 -6.495  -22.140 1.00 13.78 ? 96  TYR   A O     1 
ATOM   773  C  CB    . TYR   A 1 111 ? -14.750 -6.489  -20.510 1.00 14.15 ? 96  TYR   A CB    1 
ATOM   774  C  CG    . TYR   A 1 111 ? -15.750 -5.445  -20.095 1.00 14.43 ? 96  TYR   A CG    1 
ATOM   775  C  CD1   . TYR   A 1 111 ? -15.325 -4.247  -19.547 1.00 14.79 ? 96  TYR   A CD1   1 
ATOM   776  C  CD2   . TYR   A 1 111 ? -17.110 -5.632  -20.278 1.00 14.70 ? 96  TYR   A CD2   1 
ATOM   777  C  CE1   . TYR   A 1 111 ? -16.226 -3.263  -19.185 1.00 15.23 ? 96  TYR   A CE1   1 
ATOM   778  C  CE2   . TYR   A 1 111 ? -18.026 -4.658  -19.917 1.00 15.35 ? 96  TYR   A CE2   1 
ATOM   779  C  CZ    . TYR   A 1 111 ? -17.580 -3.468  -19.369 1.00 15.54 ? 96  TYR   A CZ    1 
ATOM   780  O  OH    . TYR   A 1 111 ? -18.466 -2.498  -19.008 1.00 16.96 ? 96  TYR   A OH    1 
ATOM   781  N  N     . ARG   A 1 112 ? -13.084 -8.334  -22.462 1.00 14.94 ? 97  ARG   A N     1 
ATOM   782  C  CA    . ARG   A 1 112 ? -11.943 -9.248  -22.730 1.00 16.16 ? 97  ARG   A CA    1 
ATOM   783  C  C     . ARG   A 1 112 ? -11.122 -8.696  -23.903 1.00 16.01 ? 97  ARG   A C     1 
ATOM   784  O  O     . ARG   A 1 112 ? -9.882  -8.686  -23.800 1.00 15.99 ? 97  ARG   A O     1 
ATOM   785  C  CB    . ARG   A 1 112 ? -12.425 -10.673 -23.008 1.00 17.51 ? 97  ARG   A CB    1 
ATOM   786  C  CG    . ARG   A 1 112 ? -11.297 -11.649 -23.313 1.00 18.83 ? 97  ARG   A CG    1 
ATOM   787  C  CD    . ARG   A 1 112 ? -11.723 -13.086 -23.097 1.00 20.44 ? 97  ARG   A CD    1 
ATOM   788  N  NE    . ARG   A 1 112 ? -10.745 -14.057 -23.571 1.00 22.13 ? 97  ARG   A NE    1 
ATOM   789  C  CZ    . ARG   A 1 112 ? -10.585 -14.433 -24.838 1.00 23.91 ? 97  ARG   A CZ    1 
ATOM   790  N  NH1   . ARG   A 1 112 ? -9.664  -15.334 -25.140 1.00 25.14 ? 97  ARG   A NH1   1 
ATOM   791  N  NH2   . ARG   A 1 112 ? -11.326 -13.910 -25.803 1.00 24.54 ? 97  ARG   A NH2   1 
ATOM   792  N  N     . GLU   A 1 113 ? -11.785 -8.237  -24.967 1.00 16.40 ? 98  GLU   A N     1 
ATOM   793  C  CA    . GLU   A 1 113 ? -11.101 -7.731  -26.187 1.00 17.03 ? 98  GLU   A CA    1 
ATOM   794  C  C     . GLU   A 1 113 ? -10.308 -6.464  -25.845 1.00 15.86 ? 98  GLU   A C     1 
ATOM   795  O  O     . GLU   A 1 113 ? -9.156  -6.358  -26.312 1.00 15.44 ? 98  GLU   A O     1 
ATOM   796  C  CB    . GLU   A 1 113 ? -12.100 -7.503  -27.325 1.00 18.69 ? 98  GLU   A CB    1 
ATOM   797  C  CG    . GLU   A 1 113 ? -12.596 -8.797  -27.950 1.00 20.70 ? 98  GLU   A CG    1 
ATOM   798  C  CD    . GLU   A 1 113 ? -11.495 -9.775  -28.331 1.00 22.65 ? 98  GLU   A CD    1 
ATOM   799  O  OE1   . GLU   A 1 113 ? -10.561 -9.359  -29.045 1.00 25.46 ? 98  GLU   A OE1   1 
ATOM   800  O  OE2   . GLU   A 1 113 ? -11.557 -10.942 -27.894 1.00 25.77 ? 98  GLU   A OE2   1 
ATOM   801  N  N     . GLN   A 1 114 ? -10.871 -5.545  -25.058 1.00 14.61 ? 99  GLN   A N     1 
ATOM   802  C  CA    . GLN   A 1 114 ? -10.180 -4.278  -24.710 1.00 14.27 ? 99  GLN   A CA    1 
ATOM   803  C  C     . GLN   A 1 114 ? -9.026  -4.588  -23.747 1.00 14.07 ? 99  GLN   A C     1 
ATOM   804  O  O     . GLN   A 1 114 ? -7.995  -3.922  -23.853 1.00 13.83 ? 99  GLN   A O     1 
ATOM   805  C  CB    . GLN   A 1 114 ? -11.155 -3.233  -24.162 1.00 14.17 ? 99  GLN   A CB    1 
ATOM   806  C  CG    . GLN   A 1 114 ? -10.521 -1.866  -23.931 1.00 14.42 ? 99  GLN   A CG    1 
ATOM   807  C  CD    . GLN   A 1 114 ? -9.924  -1.240  -25.169 1.00 14.49 ? 99  GLN   A CD    1 
ATOM   808  O  OE1   . GLN   A 1 114 ? -10.180 -1.658  -26.299 1.00 14.63 ? 99  GLN   A OE1   1 
ATOM   809  N  NE2   . GLN   A 1 114 ? -9.122  -0.209  -24.966 1.00 15.06 ? 99  GLN   A NE2   1 
ATOM   810  N  N     . ILE   A 1 115 ? -9.174  -5.570  -22.854 1.00 13.99 ? 100 ILE   A N     1 
ATOM   811  C  CA    . ILE   A 1 115 ? -8.069  -5.984  -21.938 1.00 14.21 ? 100 ILE   A CA    1 
ATOM   812  C  C     . ILE   A 1 115 ? -6.884  -6.454  -22.792 1.00 15.02 ? 100 ILE   A C     1 
ATOM   813  O  O     . ILE   A 1 115 ? -5.755  -5.999  -22.545 1.00 15.04 ? 100 ILE   A O     1 
ATOM   814  C  CB    . ILE   A 1 115 ? -8.530  -7.061  -20.938 1.00 13.79 ? 100 ILE   A CB    1 
ATOM   815  C  CG1   . ILE   A 1 115 ? -9.516  -6.489  -19.918 1.00 13.45 ? 100 ILE   A CG1   1 
ATOM   816  C  CG2   . ILE   A 1 115 ? -7.330  -7.702  -20.255 1.00 13.92 ? 100 ILE   A CG2   1 
ATOM   817  C  CD1   . ILE   A 1 115 ? -10.352 -7.532  -19.214 1.00 13.21 ? 100 ILE   A CD1   1 
ATOM   818  N  N     . LYS   A 1 116 ? -7.135  -7.334  -23.761 1.00 16.06 ? 101 LYS   A N     1 
ATOM   819  C  CA    . LYS   A 1 116 ? -6.080  -7.856  -24.672 1.00 17.43 ? 101 LYS   A CA    1 
ATOM   820  C  C     . LYS   A 1 116 ? -5.411  -6.685  -25.404 1.00 17.67 ? 101 LYS   A C     1 
ATOM   821  O  O     . LYS   A 1 116 ? -4.171  -6.708  -25.550 1.00 17.95 ? 101 LYS   A O     1 
ATOM   822  C  CB    . LYS   A 1 116 ? -6.668  -8.866  -25.660 1.00 18.96 ? 101 LYS   A CB    1 
ATOM   823  C  CG    . LYS   A 1 116 ? -7.026  -10.220 -25.063 1.00 20.79 ? 101 LYS   A CG    1 
ATOM   824  C  CD    . LYS   A 1 116 ? -7.638  -11.151 -26.080 1.00 22.18 ? 101 LYS   A CD    1 
ATOM   825  C  CE    . LYS   A 1 116 ? -7.594  -12.608 -25.676 1.00 23.48 ? 101 LYS   A CE    1 
ATOM   826  N  NZ    . LYS   A 1 116 ? -7.968  -13.490 -26.807 1.00 24.54 ? 101 LYS   A NZ    1 
ATOM   827  N  N     . ARG   A 1 117 ? -6.194  -5.690  -25.828 1.00 17.77 ? 102 ARG   A N     1 
ATOM   828  C  CA    . ARG   A 1 117 ? -5.687  -4.512  -26.581 1.00 18.47 ? 102 ARG   A CA    1 
ATOM   829  C  C     . ARG   A 1 117 ? -4.741  -3.700  -25.686 1.00 18.17 ? 102 ARG   A C     1 
ATOM   830  O  O     . ARG   A 1 117 ? -3.604  -3.444  -26.115 1.00 18.75 ? 102 ARG   A O     1 
ATOM   831  C  CB    . ARG   A 1 117 ? -6.857  -3.671  -27.100 1.00 19.61 ? 102 ARG   A CB    1 
ATOM   832  C  CG    . ARG   A 1 117 ? -6.451  -2.522  -28.011 1.00 20.96 ? 102 ARG   A CG    1 
ATOM   833  C  CD    . ARG   A 1 117 ? -7.639  -1.921  -28.739 1.00 22.13 ? 102 ARG   A CD    1 
ATOM   834  N  NE    . ARG   A 1 117 ? -8.192  -2.826  -29.741 1.00 23.00 ? 102 ARG   A NE    1 
ATOM   835  C  CZ    . ARG   A 1 117 ? -9.356  -3.478  -29.661 1.00 23.59 ? 102 ARG   A CZ    1 
ATOM   836  N  NH1   . ARG   A 1 117 ? -9.730  -4.267  -30.655 1.00 24.50 ? 102 ARG   A NH1   1 
ATOM   837  N  NH2   . ARG   A 1 117 ? -10.150 -3.342  -28.613 1.00 25.18 ? 102 ARG   A NH2   1 
ATOM   838  N  N     . VAL   A 1 118 ? -5.170  -3.324  -24.478 1.00 17.65 ? 103 VAL   A N     1 
ATOM   839  C  CA    . VAL   A 1 118 ? -4.391  -2.397  -23.599 1.00 17.92 ? 103 VAL   A CA    1 
ATOM   840  C  C     . VAL   A 1 118 ? -3.160  -3.118  -23.033 1.00 18.06 ? 103 VAL   A C     1 
ATOM   841  O  O     . VAL   A 1 118 ? -2.137  -2.441  -22.838 1.00 18.89 ? 103 VAL   A O     1 
ATOM   842  C  CB    . VAL   A 1 118 ? -5.244  -1.774  -22.476 1.00 18.05 ? 103 VAL   A CB    1 
ATOM   843  C  CG1   . VAL   A 1 118 ? -6.417  -0.988  -23.042 1.00 17.98 ? 103 VAL   A CG1   1 
ATOM   844  C  CG2   . VAL   A 1 118 ? -5.714  -2.793  -21.448 1.00 18.48 ? 103 VAL   A CG2   1 
ATOM   845  N  N     . LYS   A 1 119 ? -3.251  -4.426  -22.769 1.00 18.01 ? 104 LYS   A N     1 
ATOM   846  C  CA    . LYS   A 1 119 ? -2.123  -5.236  -22.230 1.00 18.22 ? 104 LYS   A CA    1 
ATOM   847  C  C     . LYS   A 1 119 ? -1.241  -5.743  -23.378 1.00 19.38 ? 104 LYS   A C     1 
ATOM   848  O  O     . LYS   A 1 119 ? -0.143  -6.260  -23.080 1.00 19.56 ? 104 LYS   A O     1 
ATOM   849  C  CB    . LYS   A 1 119 ? -2.651  -6.400  -21.385 1.00 17.81 ? 104 LYS   A CB    1 
ATOM   850  C  CG    . LYS   A 1 119 ? -3.421  -5.999  -20.132 1.00 17.62 ? 104 LYS   A CG    1 
ATOM   851  C  CD    . LYS   A 1 119 ? -2.616  -5.191  -19.131 1.00 17.58 ? 104 LYS   A CD    1 
ATOM   852  C  CE    . LYS   A 1 119 ? -1.521  -5.991  -18.458 1.00 17.58 ? 104 LYS   A CE    1 
ATOM   853  N  NZ    . LYS   A 1 119 ? -0.785  -5.174  -17.466 1.00 17.56 ? 104 LYS   A NZ    1 
ATOM   854  N  N     . ASP   A 1 120 ? -1.702  -5.603  -24.628 1.00 21.06 ? 105 ASP   A N     1 
ATOM   855  C  CA    . ASP   A 1 120 ? -0.985  -6.033  -25.859 1.00 22.67 ? 105 ASP   A CA    1 
ATOM   856  C  C     . ASP   A 1 120 ? -0.547  -7.493  -25.688 1.00 23.14 ? 105 ASP   A C     1 
ATOM   857  O  O     . ASP   A 1 120 ? 0.659   -7.784  -25.836 1.00 23.28 ? 105 ASP   A O     1 
ATOM   858  C  CB    . ASP   A 1 120 ? 0.185   -5.092  -26.165 1.00 23.97 ? 105 ASP   A CB    1 
ATOM   859  C  CG    . ASP   A 1 120 ? 0.841   -5.336  -27.514 1.00 25.20 ? 105 ASP   A CG    1 
ATOM   860  O  OD1   . ASP   A 1 120 ? 0.120   -5.712  -28.461 1.00 27.02 ? 105 ASP   A OD1   1 
ATOM   861  O  OD2   . ASP   A 1 120 ? 2.071   -5.155  -27.604 1.00 27.09 ? 105 ASP   A OD2   1 
ATOM   862  N  N     . SER   A 1 121 ? -1.496  -8.378  -25.373 1.00 23.49 ? 106 SER   A N     1 
ATOM   863  C  CA    . SER   A 1 121 ? -1.246  -9.815  -25.093 1.00 24.31 ? 106 SER   A CA    1 
ATOM   864  C  C     . SER   A 1 121 ? -2.558  -10.605 -25.148 1.00 24.76 ? 106 SER   A C     1 
ATOM   865  O  O     . SER   A 1 121 ? -3.594  -10.064 -24.712 1.00 23.61 ? 106 SER   A O     1 
ATOM   866  C  CB    . SER   A 1 121 ? -0.565  -9.980  -23.759 1.00 24.66 ? 106 SER   A CB    1 
ATOM   867  O  OG    . SER   A 1 121 ? -0.371  -11.352 -23.453 1.00 25.34 ? 106 SER   A OG    1 
ATOM   868  N  N     . GLU   A 1 122 ? -2.438  -11.859 -25.566 1.00 25.56 ? 107 GLU   A N     1 
ATOM   869  C  CA    . GLU   A 1 122 ? -3.556  -12.821 -25.637 1.00 26.41 ? 107 GLU   A CA    1 
ATOM   870  C  C     . GLU   A 1 122 ? -3.602  -13.591 -24.317 1.00 25.42 ? 107 GLU   A C     1 
ATOM   871  O  O     . GLU   A 1 122 ? -4.529  -14.379 -24.124 1.00 26.37 ? 107 GLU   A O     1 
ATOM   872  C  CB    . GLU   A 1 122 ? -3.235  -13.805 -26.757 1.00 28.81 ? 107 GLU   A CB    1 
ATOM   873  C  CG    . GLU   A 1 122 ? -3.385  -13.196 -28.129 1.00 31.06 ? 107 GLU   A CG    1 
ATOM   874  C  CD    . GLU   A 1 122 ? -4.845  -12.965 -28.432 1.00 32.89 ? 107 GLU   A CD    1 
ATOM   875  O  OE1   . GLU   A 1 122 ? -5.631  -13.902 -28.212 1.00 34.89 ? 107 GLU   A OE1   1 
ATOM   876  O  OE2   . GLU   A 1 122 ? -5.194  -11.839 -28.827 1.00 35.22 ? 107 GLU   A OE2   1 
ATOM   877  N  N     . ASP   A 1 123 ? -2.611  -13.354 -23.462 1.00 23.79 ? 108 ASP   A N     1 
ATOM   878  C  CA    . ASP   A 1 123 ? -2.436  -14.042 -22.154 1.00 23.17 ? 108 ASP   A CA    1 
ATOM   879  C  C     . ASP   A 1 123 ? -2.418  -12.985 -21.044 1.00 21.06 ? 108 ASP   A C     1 
ATOM   880  O  O     . ASP   A 1 123 ? -1.321  -12.514 -20.681 1.00 21.54 ? 108 ASP   A O     1 
ATOM   881  C  CB    . ASP   A 1 123 ? -1.175  -14.912 -22.161 1.00 24.40 ? 108 ASP   A CB    1 
ATOM   882  C  CG    . ASP   A 1 123 ? -0.962  -15.712 -20.887 1.00 25.86 ? 108 ASP   A CG    1 
ATOM   883  O  OD1   . ASP   A 1 123 ? -1.961  -15.989 -20.192 1.00 27.44 ? 108 ASP   A OD1   1 
ATOM   884  O  OD2   . ASP   A 1 123 ? 0.203   -16.055 -20.600 1.00 28.20 ? 108 ASP   A OD2   1 
ATOM   885  N  N     . VAL   A 1 124 ? -3.601  -12.615 -20.544 1.00 18.09 ? 109 VAL   A N     1 
ATOM   886  C  CA    . VAL   A 1 124 ? -3.775  -11.665 -19.406 1.00 16.14 ? 109 VAL   A CA    1 
ATOM   887  C  C     . VAL   A 1 124 ? -4.522  -12.389 -18.292 1.00 14.87 ? 109 VAL   A C     1 
ATOM   888  O  O     . VAL   A 1 124 ? -5.582  -12.962 -18.538 1.00 15.00 ? 109 VAL   A O     1 
ATOM   889  C  CB    . VAL   A 1 124 ? -4.536  -10.398 -19.832 1.00 15.76 ? 109 VAL   A CB    1 
ATOM   890  C  CG1   . VAL   A 1 124 ? -4.655  -9.413  -18.678 1.00 15.86 ? 109 VAL   A CG1   1 
ATOM   891  C  CG2   . VAL   A 1 124 ? -3.908  -9.740  -21.054 1.00 15.86 ? 109 VAL   A CG2   1 
ATOM   892  N  N     . PRO   A 1 125 ? -4.012  -12.379 -17.038 1.00 13.76 ? 110 PRO   A N     1 
ATOM   893  C  CA    . PRO   A 1 125 ? -4.749  -12.962 -15.921 1.00 13.20 ? 110 PRO   A CA    1 
ATOM   894  C  C     . PRO   A 1 125 ? -6.158  -12.365 -15.814 1.00 12.57 ? 110 PRO   A C     1 
ATOM   895  O  O     . PRO   A 1 125 ? -6.305  -11.156 -15.753 1.00 11.76 ? 110 PRO   A O     1 
ATOM   896  C  CB    . PRO   A 1 125 ? -3.892  -12.627 -14.695 1.00 13.39 ? 110 PRO   A CB    1 
ATOM   897  C  CG    . PRO   A 1 125 ? -2.493  -12.513 -15.267 1.00 13.83 ? 110 PRO   A CG    1 
ATOM   898  C  CD    . PRO   A 1 125 ? -2.696  -11.865 -16.622 1.00 13.80 ? 110 PRO   A CD    1 
ATOM   899  N  N     . MET   A 1 126 ? -7.154  -13.246 -15.818 1.00 13.02 ? 111 MET   A N     1 
ATOM   900  C  CA    . MET   A 1 126 ? -8.587  -12.877 -15.836 1.00 13.75 ? 111 MET   A CA    1 
ATOM   901  C  C     . MET   A 1 126 ? -9.387  -13.954 -15.115 1.00 12.67 ? 111 MET   A C     1 
ATOM   902  O  O     . MET   A 1 126 ? -9.037  -15.139 -15.244 1.00 12.51 ? 111 MET   A O     1 
ATOM   903  C  CB    . MET   A 1 126 ? -9.114  -12.792 -17.270 1.00 16.28 ? 111 MET   A CB    1 
ATOM   904  C  CG    . MET   A 1 126 ? -8.797  -11.501 -17.985 1.00 18.18 ? 111 MET   A CG    1 
ATOM   905  S  SD    . MET   A 1 126 ? -9.522  -11.458 -19.644 1.00 22.38 ? 111 MET   A SD    1 
ATOM   906  C  CE    . MET   A 1 126 ? -11.104 -12.250 -19.375 1.00 22.09 ? 111 MET   A CE    1 
ATOM   907  N  N     . VAL   A 1 127 ? -10.448 -13.547 -14.429 1.00 11.89 ? 112 VAL   A N     1 
ATOM   908  C  CA    . VAL   A 1 127 ? -11.447 -14.467 -13.829 1.00 11.60 ? 112 VAL   A CA    1 
ATOM   909  C  C     . VAL   A 1 127 ? -12.826 -13.949 -14.222 1.00 11.19 ? 112 VAL   A C     1 
ATOM   910  O  O     . VAL   A 1 127 ? -13.056 -12.728 -14.137 1.00 11.71 ? 112 VAL   A O     1 
ATOM   911  C  CB    . VAL   A 1 127 ? -11.272 -14.565 -12.305 1.00 11.68 ? 112 VAL   A CB    1 
ATOM   912  C  CG1   . VAL   A 1 127 ? -12.422 -15.310 -11.645 1.00 12.00 ? 112 VAL   A CG1   1 
ATOM   913  C  CG2   . VAL   A 1 127 ? -9.942  -15.211 -11.947 1.00 11.84 ? 112 VAL   A CG2   1 
ATOM   914  N  N     . LEU   A 1 128 ? -13.683 -14.856 -14.676 1.00 10.95 ? 113 LEU   A N     1 
ATOM   915  C  CA    . LEU   A 1 128 ? -15.097 -14.554 -14.981 1.00 10.71 ? 113 LEU   A CA    1 
ATOM   916  C  C     . LEU   A 1 128 ? -15.902 -14.727 -13.695 1.00 10.10 ? 113 LEU   A C     1 
ATOM   917  O  O     . LEU   A 1 128 ? -15.794 -15.784 -13.051 1.00 10.54 ? 113 LEU   A O     1 
ATOM   918  C  CB    . LEU   A 1 128 ? -15.602 -15.487 -16.082 1.00 11.18 ? 113 LEU   A CB    1 
ATOM   919  C  CG    . LEU   A 1 128 ? -17.032 -15.215 -16.542 1.00 11.53 ? 113 LEU   A CG    1 
ATOM   920  C  CD1   . LEU   A 1 128 ? -17.132 -13.844 -17.191 1.00 11.86 ? 113 LEU   A CD1   1 
ATOM   921  C  CD2   . LEU   A 1 128 ? -17.501 -16.304 -17.494 1.00 11.95 ? 113 LEU   A CD2   1 
ATOM   922  N  N     . VAL   A 1 129 ? -16.672 -13.695 -13.353 1.00 9.81  ? 114 VAL   A N     1 
ATOM   923  C  CA    . VAL   A 1 129 ? -17.479 -13.709 -12.107 1.00 9.71  ? 114 VAL   A CA    1 
ATOM   924  C  C     . VAL   A 1 129 ? -18.945 -13.490 -12.463 1.00 9.31  ? 114 VAL   A C     1 
ATOM   925  O  O     . VAL   A 1 129 ? -19.245 -12.498 -13.104 1.00 9.73  ? 114 VAL   A O     1 
ATOM   926  C  CB    . VAL   A 1 129 ? -16.999 -12.606 -11.148 1.00 9.68  ? 114 VAL   A CB    1 
ATOM   927  C  CG1   . VAL   A 1 129 ? -17.916 -12.498 -9.937  1.00 9.65  ? 114 VAL   A CG1   1 
ATOM   928  C  CG2   . VAL   A 1 129 ? -15.562 -12.860 -10.719 1.00 10.11 ? 114 VAL   A CG2   1 
ATOM   929  N  N     . GLY   A 1 130 ? -19.785 -14.437 -12.054 1.00 9.10  ? 115 GLY   A N     1 
ATOM   930  C  CA    . GLY   A 1 130 ? -21.251 -14.341 -12.176 1.00 9.00  ? 115 GLY   A CA    1 
ATOM   931  C  C     . GLY   A 1 130 ? -21.786 -13.932 -10.813 1.00 8.78  ? 115 GLY   A C     1 
ATOM   932  O  O     . GLY   A 1 130 ? -21.848 -14.783 -9.928  1.00 9.13  ? 115 GLY   A O     1 
ATOM   933  N  N     . ASN   A 1 131 ? -22.110 -12.647 -10.651 1.00 8.54  ? 116 ASN   A N     1 
ATOM   934  C  CA    . ASN   A 1 131 ? -22.513 -12.106 -9.325  1.00 8.57  ? 116 ASN   A CA    1 
ATOM   935  C  C     . ASN   A 1 131 ? -24.035 -12.137 -9.138  1.00 8.80  ? 116 ASN   A C     1 
ATOM   936  O  O     . ASN   A 1 131 ? -24.754 -12.330 -10.116 1.00 9.24  ? 116 ASN   A O     1 
ATOM   937  C  CB    . ASN   A 1 131 ? -21.905 -10.713 -9.121  1.00 8.45  ? 116 ASN   A CB    1 
ATOM   938  C  CG    . ASN   A 1 131 ? -22.094 -10.171 -7.722  1.00 8.14  ? 116 ASN   A CG    1 
ATOM   939  O  OD1   . ASN   A 1 131 ? -21.836 -10.867 -6.752  1.00 8.37  ? 116 ASN   A OD1   1 
ATOM   940  N  ND2   . ASN   A 1 131 ? -22.554 -8.931  -7.618  1.00 8.35  ? 116 ASN   A ND2   1 
ATOM   941  N  N     . LYS   A 1 132 ? -24.476 -11.900 -7.901  1.00 9.14  ? 117 LYS   A N     1 
ATOM   942  C  CA    . LYS   A 1 132 ? -25.909 -11.923 -7.475  1.00 9.48  ? 117 LYS   A CA    1 
ATOM   943  C  C     . LYS   A 1 132 ? -26.467 -13.358 -7.416  1.00 10.14 ? 117 LYS   A C     1 
ATOM   944  O  O     . LYS   A 1 132 ? -27.652 -13.555 -7.684  1.00 10.62 ? 117 LYS   A O     1 
ATOM   945  C  CB    . LYS   A 1 132 ? -26.756 -10.980 -8.335  1.00 9.56  ? 117 LYS   A CB    1 
ATOM   946  C  CG    . LYS   A 1 132 ? -26.149 -9.592  -8.520  1.00 9.72  ? 117 LYS   A CG    1 
ATOM   947  C  CD    . LYS   A 1 132 ? -27.166 -8.534  -8.900  1.00 9.95  ? 117 LYS   A CD    1 
ATOM   948  C  CE    . LYS   A 1 132 ? -26.575 -7.151  -9.088  1.00 10.15 ? 117 LYS   A CE    1 
ATOM   949  N  NZ    . LYS   A 1 132 ? -27.594 -6.193  -9.583  1.00 10.53 ? 117 LYS   A NZ    1 
ATOM   950  N  N     . ALA   A 1 133 ? -25.630 -14.315 -7.017  1.00 10.60 ? 118 ALA   A N     1 
ATOM   951  C  CA    . ALA   A 1 133 ? -25.977 -15.754 -6.931  1.00 11.58 ? 118 ALA   A CA    1 
ATOM   952  C  C     . ALA   A 1 133 ? -27.114 -15.980 -5.929  1.00 12.01 ? 118 ALA   A C     1 
ATOM   953  O  O     . ALA   A 1 133 ? -27.725 -17.061 -5.964  1.00 13.12 ? 118 ALA   A O     1 
ATOM   954  C  CB    . ALA   A 1 133 ? -24.756 -16.550 -6.547  1.00 12.25 ? 118 ALA   A CB    1 
ATOM   955  N  N     . ASP   A 1 134 ? -27.382 -15.013 -5.054  1.00 11.82 ? 119 ASP   A N     1 
ATOM   956  C  CA    . ASP   A 1 134 ? -28.430 -15.124 -4.006  1.00 12.44 ? 119 ASP   A CA    1 
ATOM   957  C  C     . ASP   A 1 134 ? -29.820 -14.841 -4.586  1.00 13.43 ? 119 ASP   A C     1 
ATOM   958  O  O     . ASP   A 1 134 ? -30.812 -15.170 -3.906  1.00 14.39 ? 119 ASP   A O     1 
ATOM   959  C  CB    . ASP   A 1 134 ? -28.158 -14.153 -2.858  1.00 11.75 ? 119 ASP   A CB    1 
ATOM   960  C  CG    . ASP   A 1 134 ? -28.065 -12.710 -3.327  1.00 11.42 ? 119 ASP   A CG    1 
ATOM   961  O  OD1   . ASP   A 1 134 ? -27.041 -12.363 -3.977  1.00 11.30 ? 119 ASP   A OD1   1 
ATOM   962  O  OD2   . ASP   A 1 134 ? -29.018 -11.951 -3.080  1.00 12.03 ? 119 ASP   A OD2   1 
ATOM   963  N  N     . LEU   A 1 135 ? -29.912 -14.226 -5.765  1.00 14.18 ? 120 LEU   A N     1 
ATOM   964  C  CA    . LEU   A 1 135 ? -31.210 -13.745 -6.311  1.00 15.58 ? 120 LEU   A CA    1 
ATOM   965  C  C     . LEU   A 1 135 ? -31.894 -14.844 -7.116  1.00 17.29 ? 120 LEU   A C     1 
ATOM   966  O  O     . LEU   A 1 135 ? -31.236 -15.640 -7.781  1.00 17.96 ? 120 LEU   A O     1 
ATOM   967  C  CB    . LEU   A 1 135 ? -30.985 -12.501 -7.174  1.00 15.83 ? 120 LEU   A CB    1 
ATOM   968  C  CG    . LEU   A 1 135 ? -30.608 -11.235 -6.407  1.00 15.90 ? 120 LEU   A CG    1 
ATOM   969  C  CD1   . LEU   A 1 135 ? -30.513 -10.046 -7.348  1.00 16.28 ? 120 LEU   A CD1   1 
ATOM   970  C  CD2   . LEU   A 1 135 ? -31.592 -10.947 -5.281  1.00 16.03 ? 120 LEU   A CD2   1 
ATOM   971  N  N     . PRO   A 1 136 ? -33.241 -14.879 -7.112  1.00 19.28 ? 121 PRO   A N     1 
ATOM   972  C  CA    . PRO   A 1 136 ? -33.986 -15.846 -7.913  1.00 20.67 ? 121 PRO   A CA    1 
ATOM   973  C  C     . PRO   A 1 136 ? -34.093 -15.316 -9.350  1.00 22.00 ? 121 PRO   A C     1 
ATOM   974  O  O     . PRO   A 1 136 ? -33.550 -14.279 -9.657  1.00 22.99 ? 121 PRO   A O     1 
ATOM   975  C  CB    . PRO   A 1 136 ? -35.362 -15.803 -7.240  1.00 20.72 ? 121 PRO   A CB    1 
ATOM   976  C  CG    . PRO   A 1 136 ? -35.490 -14.371 -6.802  1.00 20.12 ? 121 PRO   A CG    1 
ATOM   977  C  CD    . PRO   A 1 136 ? -34.100 -13.986 -6.337  1.00 19.64 ? 121 PRO   A CD    1 
ATOM   978  N  N     . SER   A 1 137 ? -34.777 -16.065 -10.206 1.00 23.99 ? 122 SER   A N     1 
ATOM   979  C  CA    . SER   A 1 137 ? -35.019 -15.611 -11.598 1.00 24.73 ? 122 SER   A CA    1 
ATOM   980  C  C     . SER   A 1 137 ? -33.711 -15.268 -12.318 1.00 23.88 ? 122 SER   A C     1 
ATOM   981  O  O     . SER   A 1 137 ? -33.606 -14.201 -12.953 1.00 25.33 ? 122 SER   A O     1 
ATOM   982  C  CB    . SER   A 1 137 ? -36.053 -14.515 -11.648 1.00 25.97 ? 122 SER   A CB    1 
ATOM   983  O  OG    . SER   A 1 137 ? -37.163 -14.864 -10.834 1.00 27.66 ? 122 SER   A OG    1 
ATOM   984  N  N     . ARG   A 1 138 ? -32.758 -16.193 -12.249 1.00 21.87 ? 123 ARG   A N     1 
ATOM   985  C  CA    . ARG   A 1 138 ? -31.497 -16.040 -13.011 1.00 20.73 ? 123 ARG   A CA    1 
ATOM   986  C  C     . ARG   A 1 138 ? -31.836 -16.201 -14.500 1.00 19.36 ? 123 ARG   A C     1 
ATOM   987  O  O     . ARG   A 1 138 ? -32.807 -16.903 -14.807 1.00 19.68 ? 123 ARG   A O     1 
ATOM   988  C  CB    . ARG   A 1 138 ? -30.441 -17.010 -12.475 1.00 21.47 ? 123 ARG   A CB    1 
ATOM   989  C  CG    . ARG   A 1 138 ? -30.441 -18.406 -13.075 1.00 22.13 ? 123 ARG   A CG    1 
ATOM   990  C  CD    . ARG   A 1 138 ? -29.372 -19.244 -12.397 1.00 22.71 ? 123 ARG   A CD    1 
ATOM   991  N  NE    . ARG   A 1 138 ? -28.106 -18.941 -13.018 1.00 22.92 ? 123 ARG   A NE    1 
ATOM   992  C  CZ    . ARG   A 1 138 ? -26.916 -19.041 -12.445 1.00 22.46 ? 123 ARG   A CZ    1 
ATOM   993  N  NH1   . ARG   A 1 138 ? -25.852 -18.739 -13.153 1.00 22.51 ? 123 ARG   A NH1   1 
ATOM   994  N  NH2   . ARG   A 1 138 ? -26.793 -19.440 -11.191 1.00 21.87 ? 123 ARG   A NH2   1 
ATOM   995  N  N     . THR   A 1 139 ? -31.093 -15.526 -15.373 1.00 17.99 ? 124 THR   A N     1 
ATOM   996  C  CA    . THR   A 1 139 ? -31.307 -15.577 -16.846 1.00 17.52 ? 124 THR   A CA    1 
ATOM   997  C  C     . THR   A 1 139 ? -30.088 -16.168 -17.573 1.00 17.43 ? 124 THR   A C     1 
ATOM   998  O  O     . THR   A 1 139 ? -30.228 -16.518 -18.738 1.00 17.98 ? 124 THR   A O     1 
ATOM   999  C  CB    . THR   A 1 139 ? -31.656 -14.186 -17.383 1.00 17.80 ? 124 THR   A CB    1 
ATOM   1000 O  OG1   . THR   A 1 139 ? -30.608 -13.298 -16.999 1.00 17.62 ? 124 THR   A OG1   1 
ATOM   1001 C  CG2   . THR   A 1 139 ? -32.975 -13.673 -16.854 1.00 18.06 ? 124 THR   A CG2   1 
ATOM   1002 N  N     . VAL   A 1 140 ? -28.928 -16.212 -16.917 1.00 16.38 ? 125 VAL   A N     1 
ATOM   1003 C  CA    . VAL   A 1 140 ? -27.681 -16.796 -17.491 1.00 16.41 ? 125 VAL   A CA    1 
ATOM   1004 C  C     . VAL   A 1 140 ? -27.443 -18.153 -16.826 1.00 16.52 ? 125 VAL   A C     1 
ATOM   1005 O  O     . VAL   A 1 140 ? -27.150 -18.179 -15.620 1.00 16.23 ? 125 VAL   A O     1 
ATOM   1006 C  CB    . VAL   A 1 140 ? -26.470 -15.863 -17.314 1.00 16.23 ? 125 VAL   A CB    1 
ATOM   1007 C  CG1   . VAL   A 1 140 ? -25.210 -16.473 -17.909 1.00 16.19 ? 125 VAL   A CG1   1 
ATOM   1008 C  CG2   . VAL   A 1 140 ? -26.733 -14.489 -17.906 1.00 16.36 ? 125 VAL   A CG2   1 
ATOM   1009 N  N     . ASP   A 1 141 ? -27.578 -19.236 -17.594 1.00 17.05 ? 126 ASP   A N     1 
ATOM   1010 C  CA    . ASP   A 1 141 ? -27.330 -20.622 -17.124 1.00 17.66 ? 126 ASP   A CA    1 
ATOM   1011 C  C     . ASP   A 1 141 ? -25.874 -20.722 -16.663 1.00 16.85 ? 126 ASP   A C     1 
ATOM   1012 O  O     . ASP   A 1 141 ? -24.987 -20.261 -17.408 1.00 16.05 ? 126 ASP   A O     1 
ATOM   1013 C  CB    . ASP   A 1 141 ? -27.597 -21.652 -18.225 1.00 19.13 ? 126 ASP   A CB    1 
ATOM   1014 C  CG    . ASP   A 1 141 ? -29.039 -21.741 -18.704 1.00 20.68 ? 126 ASP   A CG    1 
ATOM   1015 O  OD1   . ASP   A 1 141 ? -29.928 -21.163 -18.040 1.00 22.49 ? 126 ASP   A OD1   1 
ATOM   1016 O  OD2   . ASP   A 1 141 ? -29.261 -22.397 -19.745 1.00 22.81 ? 126 ASP   A OD2   1 
ATOM   1017 N  N     . THR   A 1 142 ? -25.640 -21.311 -15.489 1.00 16.66 ? 127 THR   A N     1 
ATOM   1018 C  CA    A THR   A 1 142 ? -24.276 -21.537 -14.946 0.50 16.95 ? 127 THR   A CA    1 
ATOM   1019 C  CA    B THR   A 1 142 ? -24.277 -21.552 -14.941 0.50 16.82 ? 127 THR   A CA    1 
ATOM   1020 C  C     . THR   A 1 142 ? -23.441 -22.300 -15.985 1.00 16.43 ? 127 THR   A C     1 
ATOM   1021 O  O     . THR   A 1 142 ? -22.268 -21.938 -16.172 1.00 15.72 ? 127 THR   A O     1 
ATOM   1022 C  CB    A THR   A 1 142 ? -24.340 -22.217 -13.571 0.50 17.50 ? 127 THR   A CB    1 
ATOM   1023 C  CB    B THR   A 1 142 ? -24.319 -22.335 -13.621 0.50 17.24 ? 127 THR   A CB    1 
ATOM   1024 O  OG1   A THR   A 1 142 ? -23.016 -22.197 -13.038 0.50 18.66 ? 127 THR   A OG1   1 
ATOM   1025 O  OG1   B THR   A 1 142 ? -25.069 -21.586 -12.664 0.50 17.39 ? 127 THR   A OG1   1 
ATOM   1026 C  CG2   A THR   A 1 142 ? -24.876 -23.633 -13.603 0.50 17.58 ? 127 THR   A CG2   1 
ATOM   1027 C  CG2   B THR   A 1 142 ? -22.943 -22.617 -13.058 0.50 17.68 ? 127 THR   A CG2   1 
ATOM   1028 N  N     . LYS   A 1 143 ? -24.031 -23.305 -16.640 1.00 16.66 ? 128 LYS   A N     1 
ATOM   1029 C  CA    . LYS   A 1 143 ? -23.299 -24.156 -17.615 1.00 16.83 ? 128 LYS   A CA    1 
ATOM   1030 C  C     . LYS   A 1 143 ? -22.888 -23.319 -18.832 1.00 15.30 ? 128 LYS   A C     1 
ATOM   1031 O  O     . LYS   A 1 143 ? -21.820 -23.609 -19.387 1.00 15.53 ? 128 LYS   A O     1 
ATOM   1032 C  CB    . LYS   A 1 143 ? -24.118 -25.397 -17.982 1.00 18.71 ? 128 LYS   A CB    1 
ATOM   1033 C  CG    . LYS   A 1 143 ? -23.903 -26.562 -17.024 1.00 20.94 ? 128 LYS   A CG    1 
ATOM   1034 C  CD    . LYS   A 1 143 ? -24.859 -27.721 -17.181 1.00 22.68 ? 128 LYS   A CD    1 
ATOM   1035 C  CE    . LYS   A 1 143 ? -24.658 -28.757 -16.095 1.00 24.10 ? 128 LYS   A CE    1 
ATOM   1036 N  NZ    . LYS   A 1 143 ? -25.643 -29.859 -16.186 1.00 25.47 ? 128 LYS   A NZ    1 
ATOM   1037 N  N     . GLN   A 1 144 ? -23.678 -22.314 -19.222 1.00 14.50 ? 129 GLN   A N     1 
ATOM   1038 C  CA    . GLN   A 1 144 ? -23.324 -21.425 -20.362 1.00 14.29 ? 129 GLN   A CA    1 
ATOM   1039 C  C     . GLN   A 1 144 ? -22.105 -20.572 -19.979 1.00 13.79 ? 129 GLN   A C     1 
ATOM   1040 O  O     . GLN   A 1 144 ? -21.181 -20.439 -20.799 1.00 13.52 ? 129 GLN   A O     1 
ATOM   1041 C  CB    . GLN   A 1 144 ? -24.495 -20.538 -20.784 1.00 14.79 ? 129 GLN   A CB    1 
ATOM   1042 C  CG    . GLN   A 1 144 ? -24.233 -19.812 -22.094 1.00 15.45 ? 129 GLN   A CG    1 
ATOM   1043 C  CD    . GLN   A 1 144 ? -25.379 -18.918 -22.495 1.00 16.43 ? 129 GLN   A CD    1 
ATOM   1044 O  OE1   . GLN   A 1 144 ? -25.854 -18.106 -21.707 1.00 17.54 ? 129 GLN   A OE1   1 
ATOM   1045 N  NE2   . GLN   A 1 144 ? -25.823 -19.048 -23.734 1.00 17.45 ? 129 GLN   A NE2   1 
ATOM   1046 N  N     . ALA   A 1 145 ? -22.092 -20.011 -18.770 1.00 13.56 ? 130 ALA   A N     1 
ATOM   1047 C  CA    . ALA   A 1 145 ? -20.960 -19.209 -18.249 1.00 13.79 ? 130 ALA   A CA    1 
ATOM   1048 C  C     . ALA   A 1 145 ? -19.720 -20.100 -18.110 1.00 14.14 ? 130 ALA   A C     1 
ATOM   1049 O  O     . ALA   A 1 145 ? -18.621 -19.626 -18.441 1.00 13.90 ? 130 ALA   A O     1 
ATOM   1050 C  CB    . ALA   A 1 145 ? -21.330 -18.557 -16.941 1.00 13.85 ? 130 ALA   A CB    1 
ATOM   1051 N  N     . GLN   A 1 146 ? -19.893 -21.339 -17.639 1.00 14.83 ? 131 GLN   A N     1 
ATOM   1052 C  CA    . GLN   A 1 146 ? -18.787 -22.327 -17.509 1.00 15.72 ? 131 GLN   A CA    1 
ATOM   1053 C  C     . GLN   A 1 146 ? -18.199 -22.611 -18.895 1.00 15.14 ? 131 GLN   A C     1 
ATOM   1054 O  O     . GLN   A 1 146 ? -16.959 -22.626 -19.018 1.00 15.30 ? 131 GLN   A O     1 
ATOM   1055 C  CB    . GLN   A 1 146 ? -19.279 -23.609 -16.837 1.00 16.77 ? 131 GLN   A CB    1 
ATOM   1056 C  CG    . GLN   A 1 146 ? -19.506 -23.445 -15.342 1.00 18.45 ? 131 GLN   A CG    1 
ATOM   1057 C  CD    . GLN   A 1 146 ? -19.896 -24.717 -14.629 1.00 19.82 ? 131 GLN   A CD    1 
ATOM   1058 O  OE1   . GLN   A 1 146 ? -19.532 -24.929 -13.474 1.00 22.94 ? 131 GLN   A OE1   1 
ATOM   1059 N  NE2   . GLN   A 1 146 ? -20.651 -25.573 -15.297 1.00 20.72 ? 131 GLN   A NE2   1 
ATOM   1060 N  N     . ASP   A 1 147 ? -19.056 -22.810 -19.899 1.00 14.58 ? 132 ASP   A N     1 
ATOM   1061 C  CA    . ASP   A 1 147 ? -18.630 -23.035 -21.308 1.00 14.91 ? 132 ASP   A CA    1 
ATOM   1062 C  C     . ASP   A 1 147 ? -17.845 -21.809 -21.798 1.00 14.55 ? 132 ASP   A C     1 
ATOM   1063 O  O     . ASP   A 1 147 ? -16.779 -21.999 -22.413 1.00 14.51 ? 132 ASP   A O     1 
ATOM   1064 C  CB    . ASP   A 1 147 ? -19.817 -23.346 -22.226 1.00 15.21 ? 132 ASP   A CB    1 
ATOM   1065 C  CG    . ASP   A 1 147 ? -20.441 -24.720 -22.023 1.00 15.64 ? 132 ASP   A CG    1 
ATOM   1066 O  OD1   . ASP   A 1 147 ? -19.914 -25.500 -21.208 1.00 16.64 ? 132 ASP   A OD1   1 
ATOM   1067 O  OD2   . ASP   A 1 147 ? -21.467 -24.996 -22.677 1.00 16.33 ? 132 ASP   A OD2   1 
ATOM   1068 N  N     . LEU   A 1 148 ? -18.316 -20.591 -21.516 1.00 14.41 ? 133 LEU   A N     1 
ATOM   1069 C  CA    . LEU   A 1 148 ? -17.620 -19.355 -21.965 1.00 14.43 ? 133 LEU   A CA    1 
ATOM   1070 C  C     . LEU   A 1 148 ? -16.226 -19.308 -21.330 1.00 14.56 ? 133 LEU   A C     1 
ATOM   1071 O  O     . LEU   A 1 148 ? -15.247 -19.076 -22.054 1.00 14.75 ? 133 LEU   A O     1 
ATOM   1072 C  CB    . LEU   A 1 148 ? -18.414 -18.101 -21.592 1.00 14.43 ? 133 LEU   A CB    1 
ATOM   1073 C  CG    . LEU   A 1 148 ? -17.799 -16.803 -22.115 1.00 14.75 ? 133 LEU   A CG    1 
ATOM   1074 C  CD1   . LEU   A 1 148 ? -17.859 -16.748 -23.634 1.00 15.16 ? 133 LEU   A CD1   1 
ATOM   1075 C  CD2   . LEU   A 1 148 ? -18.470 -15.585 -21.501 1.00 14.94 ? 133 LEU   A CD2   1 
ATOM   1076 N  N     . ALA   A 1 149 ? -16.140 -19.499 -20.014 1.00 14.70 ? 134 ALA   A N     1 
ATOM   1077 C  CA    . ALA   A 1 149 ? -14.865 -19.443 -19.262 1.00 14.82 ? 134 ALA   A CA    1 
ATOM   1078 C  C     . ALA   A 1 149 ? -13.898 -20.497 -19.813 1.00 15.63 ? 134 ALA   A C     1 
ATOM   1079 O  O     . ALA   A 1 149 ? -12.708 -20.174 -19.991 1.00 15.68 ? 134 ALA   A O     1 
ATOM   1080 C  CB    . ALA   A 1 149 ? -15.121 -19.636 -17.793 1.00 14.48 ? 134 ALA   A CB    1 
ATOM   1081 N  N     . ARG   A 1 150 ? -14.398 -21.707 -20.080 1.00 16.63 ? 135 ARG   A N     1 
ATOM   1082 C  CA    . ARG   A 1 150 ? -13.598 -22.814 -20.670 1.00 18.41 ? 135 ARG   A CA    1 
ATOM   1083 C  C     . ARG   A 1 150 ? -13.044 -22.349 -22.025 1.00 18.13 ? 135 ARG   A C     1 
ATOM   1084 O  O     . ARG   A 1 150 ? -11.839 -22.558 -22.271 1.00 18.32 ? 135 ARG   A O     1 
ATOM   1085 C  CB    . ARG   A 1 150 ? -14.446 -24.085 -20.791 1.00 19.95 ? 135 ARG   A CB    1 
ATOM   1086 C  CG    . ARG   A 1 150 ? -13.640 -25.367 -20.948 1.00 22.01 ? 135 ARG   A CG    1 
ATOM   1087 C  CD    . ARG   A 1 150 ? -14.514 -26.606 -21.052 1.00 23.77 ? 135 ARG   A CD    1 
ATOM   1088 N  NE    . ARG   A 1 150 ? -15.256 -26.895 -19.825 1.00 25.48 ? 135 ARG   A NE    1 
ATOM   1089 C  CZ    . ARG   A 1 150 ? -16.578 -26.788 -19.662 1.00 26.28 ? 135 ARG   A CZ    1 
ATOM   1090 N  NH1   . ARG   A 1 150 ? -17.363 -26.395 -20.652 1.00 26.40 ? 135 ARG   A NH1   1 
ATOM   1091 N  NH2   . ARG   A 1 150 ? -17.119 -27.091 -18.494 1.00 27.07 ? 135 ARG   A NH2   1 
ATOM   1092 N  N     . SER   A 1 151 ? -13.868 -21.699 -22.854 1.00 18.02 ? 136 SER   A N     1 
ATOM   1093 C  CA    . SER   A 1 151 ? -13.478 -21.211 -24.205 1.00 18.36 ? 136 SER   A CA    1 
ATOM   1094 C  C     . SER   A 1 151 ? -12.400 -20.123 -24.086 1.00 18.57 ? 136 SER   A C     1 
ATOM   1095 O  O     . SER   A 1 151 ? -11.541 -20.039 -24.985 1.00 19.87 ? 136 SER   A O     1 
ATOM   1096 C  CB    . SER   A 1 151 ? -14.679 -20.740 -24.996 1.00 18.06 ? 136 SER   A CB    1 
ATOM   1097 O  OG    . SER   A 1 151 ? -15.053 -19.415 -24.646 1.00 18.37 ? 136 SER   A OG    1 
ATOM   1098 N  N     . TYR   A 1 152 ? -12.430 -19.325 -23.015 1.00 18.61 ? 137 TYR   A N     1 
ATOM   1099 C  CA    . TYR   A 1 152 ? -11.438 -18.251 -22.739 1.00 18.41 ? 137 TYR   A CA    1 
ATOM   1100 C  C     . TYR   A 1 152 ? -10.188 -18.820 -22.054 1.00 18.06 ? 137 TYR   A C     1 
ATOM   1101 O  O     . TYR   A 1 152 ? -9.165  -18.107 -22.022 1.00 19.36 ? 137 TYR   A O     1 
ATOM   1102 C  CB    . TYR   A 1 152 ? -12.036 -17.165 -21.841 1.00 18.24 ? 137 TYR   A CB    1 
ATOM   1103 C  CG    . TYR   A 1 152 ? -13.105 -16.283 -22.442 1.00 18.69 ? 137 TYR   A CG    1 
ATOM   1104 C  CD1   . TYR   A 1 152 ? -13.395 -16.269 -23.800 1.00 19.18 ? 137 TYR   A CD1   1 
ATOM   1105 C  CD2   . TYR   A 1 152 ? -13.807 -15.408 -21.628 1.00 18.88 ? 137 TYR   A CD2   1 
ATOM   1106 C  CE1   . TYR   A 1 152 ? -14.368 -15.429 -24.321 1.00 19.47 ? 137 TYR   A CE1   1 
ATOM   1107 C  CE2   . TYR   A 1 152 ? -14.779 -14.560 -22.133 1.00 19.34 ? 137 TYR   A CE2   1 
ATOM   1108 C  CZ    . TYR   A 1 152 ? -15.067 -14.573 -23.485 1.00 19.67 ? 137 TYR   A CZ    1 
ATOM   1109 O  OH    . TYR   A 1 152 ? -16.026 -13.730 -23.971 1.00 20.96 ? 137 TYR   A OH    1 
ATOM   1110 N  N     . GLY   A 1 153 ? -10.278 -20.028 -21.491 1.00 17.31 ? 138 GLY   A N     1 
ATOM   1111 C  CA    . GLY   A 1 153 ? -9.211  -20.666 -20.695 1.00 17.07 ? 138 GLY   A CA    1 
ATOM   1112 C  C     . GLY   A 1 153 ? -9.013  -19.988 -19.347 1.00 16.50 ? 138 GLY   A C     1 
ATOM   1113 O  O     . GLY   A 1 153 ? -7.853  -19.909 -18.887 1.00 17.29 ? 138 GLY   A O     1 
ATOM   1114 N  N     . ILE   A 1 154 ? -10.093 -19.516 -18.713 1.00 15.12 ? 139 ILE   A N     1 
ATOM   1115 C  CA    . ILE   A 1 154 ? -10.022 -18.796 -17.406 1.00 14.61 ? 139 ILE   A CA    1 
ATOM   1116 C  C     . ILE   A 1 154 ? -10.982 -19.432 -16.409 1.00 14.13 ? 139 ILE   A C     1 
ATOM   1117 O  O     . ILE   A 1 154 ? -11.942 -20.105 -16.787 1.00 14.29 ? 139 ILE   A O     1 
ATOM   1118 C  CB    . ILE   A 1 154 ? -10.297 -17.291 -17.581 1.00 14.72 ? 139 ILE   A CB    1 
ATOM   1119 C  CG1   . ILE   A 1 154 ? -11.764 -17.004 -17.914 1.00 14.60 ? 139 ILE   A CG1   1 
ATOM   1120 C  CG2   . ILE   A 1 154 ? -9.354  -16.693 -18.613 1.00 14.78 ? 139 ILE   A CG2   1 
ATOM   1121 C  CD1   . ILE   A 1 154 ? -12.078 -15.537 -18.070 1.00 14.58 ? 139 ILE   A CD1   1 
ATOM   1122 N  N     . PRO   A 1 155 ? -10.748 -19.220 -15.096 1.00 13.35 ? 140 PRO   A N     1 
ATOM   1123 C  CA    . PRO   A 1 155 ? -11.682 -19.657 -14.065 1.00 13.09 ? 140 PRO   A CA    1 
ATOM   1124 C  C     . PRO   A 1 155 ? -13.015 -18.900 -14.123 1.00 12.44 ? 140 PRO   A C     1 
ATOM   1125 O  O     . PRO   A 1 155 ? -13.048 -17.757 -14.552 1.00 12.42 ? 140 PRO   A O     1 
ATOM   1126 C  CB    . PRO   A 1 155 ? -10.948 -19.353 -12.748 1.00 13.18 ? 140 PRO   A CB    1 
ATOM   1127 C  CG    . PRO   A 1 155 ? -9.491  -19.240 -13.148 1.00 13.57 ? 140 PRO   A CG    1 
ATOM   1128 C  CD    . PRO   A 1 155 ? -9.534  -18.618 -14.524 1.00 13.43 ? 140 PRO   A CD    1 
ATOM   1129 N  N     . PHE   A 1 156 ? -14.070 -19.574 -13.679 1.00 12.42 ? 141 PHE   A N     1 
ATOM   1130 C  CA    . PHE   A 1 156 ? -15.423 -19.001 -13.491 1.00 12.33 ? 141 PHE   A CA    1 
ATOM   1131 C  C     . PHE   A 1 156 ? -15.880 -19.259 -12.059 1.00 12.23 ? 141 PHE   A C     1 
ATOM   1132 O  O     . PHE   A 1 156 ? -15.857 -20.419 -11.611 1.00 12.66 ? 141 PHE   A O     1 
ATOM   1133 C  CB    . PHE   A 1 156 ? -16.416 -19.612 -14.476 1.00 12.60 ? 141 PHE   A CB    1 
ATOM   1134 C  CG    . PHE   A 1 156 ? -17.847 -19.228 -14.205 1.00 12.82 ? 141 PHE   A CG    1 
ATOM   1135 C  CD1   . PHE   A 1 156 ? -18.224 -17.894 -14.137 1.00 12.90 ? 141 PHE   A CD1   1 
ATOM   1136 C  CD2   . PHE   A 1 156 ? -18.817 -20.198 -14.016 1.00 13.58 ? 141 PHE   A CD2   1 
ATOM   1137 C  CE1   . PHE   A 1 156 ? -19.541 -17.541 -13.881 1.00 13.19 ? 141 PHE   A CE1   1 
ATOM   1138 C  CE2   . PHE   A 1 156 ? -20.132 -19.843 -13.763 1.00 14.00 ? 141 PHE   A CE2   1 
ATOM   1139 C  CZ    . PHE   A 1 156 ? -20.492 -18.517 -13.698 1.00 13.60 ? 141 PHE   A CZ    1 
ATOM   1140 N  N     . ILE   A 1 157 ? -16.294 -18.197 -11.367 1.00 12.01 ? 142 ILE   A N     1 
ATOM   1141 C  CA    . ILE   A 1 157 ? -16.799 -18.274 -9.969  1.00 11.86 ? 142 ILE   A CA    1 
ATOM   1142 C  C     . ILE   A 1 157 ? -18.115 -17.504 -9.879  1.00 11.04 ? 142 ILE   A C     1 
ATOM   1143 O  O     . ILE   A 1 157 ? -18.189 -16.353 -10.365 1.00 10.89 ? 142 ILE   A O     1 
ATOM   1144 C  CB    . ILE   A 1 157 ? -15.733 -17.767 -8.981  1.00 12.61 ? 142 ILE   A CB    1 
ATOM   1145 C  CG1   . ILE   A 1 157 ? -14.477 -18.638 -9.079  1.00 13.66 ? 142 ILE   A CG1   1 
ATOM   1146 C  CG2   . ILE   A 1 157 ? -16.292 -17.716 -7.567  1.00 12.77 ? 142 ILE   A CG2   1 
ATOM   1147 C  CD1   . ILE   A 1 157 ? -13.262 -18.091 -8.385  1.00 14.27 ? 142 ILE   A CD1   1 
ATOM   1148 N  N     . GLU   A 1 158 ? -19.129 -18.125 -9.282  1.00 10.71 ? 143 GLU   A N     1 
ATOM   1149 C  CA    . GLU   A 1 158 ? -20.400 -17.435 -8.957  1.00 10.77 ? 143 GLU   A CA    1 
ATOM   1150 C  C     . GLU   A 1 158 ? -20.291 -16.864 -7.546  1.00 10.14 ? 143 GLU   A C     1 
ATOM   1151 O  O     . GLU   A 1 158 ? -19.870 -17.579 -6.612  1.00 10.83 ? 143 GLU   A O     1 
ATOM   1152 C  CB    . GLU   A 1 158 ? -21.603 -18.360 -9.130  1.00 11.73 ? 143 GLU   A CB    1 
ATOM   1153 C  CG    . GLU   A 1 158 ? -21.925 -18.597 -10.596 1.00 12.81 ? 143 GLU   A CG    1 
ATOM   1154 C  CD    . GLU   A 1 158 ? -23.292 -19.172 -10.913 1.00 13.55 ? 143 GLU   A CD    1 
ATOM   1155 O  OE1   . GLU   A 1 158 ? -24.091 -19.382 -9.976  1.00 14.80 ? 143 GLU   A OE1   1 
ATOM   1156 O  OE2   . GLU   A 1 158 ? -23.561 -19.398 -12.112 1.00 14.85 ? 143 GLU   A OE2   1 
ATOM   1157 N  N     . THR   A 1 159 ? -20.642 -15.588 -7.422  1.00 9.41  ? 144 THR   A N     1 
ATOM   1158 C  CA    . THR   A 1 159 ? -20.498 -14.882 -6.131  1.00 8.96  ? 144 THR   A CA    1 
ATOM   1159 C  C     . THR   A 1 159 ? -21.798 -14.196 -5.713  1.00 8.71  ? 144 THR   A C     1 
ATOM   1160 O  O     . THR   A 1 159 ? -22.691 -14.010 -6.537  1.00 8.98  ? 144 THR   A O     1 
ATOM   1161 C  CB    . THR   A 1 159 ? -19.463 -13.758 -6.286  1.00 9.01  ? 144 THR   A CB    1 
ATOM   1162 O  OG1   . THR   A 1 159 ? -19.896 -12.834 -7.287  1.00 8.72  ? 144 THR   A OG1   1 
ATOM   1163 C  CG2   . THR   A 1 159 ? -18.100 -14.274 -6.690  1.00 9.27  ? 144 THR   A CG2   1 
ATOM   1164 N  N     . SER   A 1 160 ? -21.858 -13.866 -4.431  1.00 8.51  ? 145 SER   A N     1 
ATOM   1165 C  CA    . SER   A 1 160 ? -22.896 -12.954 -3.899  1.00 8.48  ? 145 SER   A CA    1 
ATOM   1166 C  C     . SER   A 1 160 ? -22.175 -11.925 -3.021  1.00 8.44  ? 145 SER   A C     1 
ATOM   1167 O  O     . SER   A 1 160 ? -21.625 -12.301 -1.991  1.00 8.19  ? 145 SER   A O     1 
ATOM   1168 C  CB    . SER   A 1 160 ? -23.985 -13.635 -3.129  1.00 8.58  ? 145 SER   A CB    1 
ATOM   1169 O  OG    . SER   A 1 160 ? -24.820 -12.634 -2.541  1.00 8.90  ? 145 SER   A OG    1 
ATOM   1170 N  N     . ALA   A 1 161 ? -22.129 -10.677 -3.470  1.00 8.61  ? 146 ALA   A N     1 
ATOM   1171 C  CA    . ALA   A 1 161 ? -21.541 -9.615  -2.626  1.00 8.66  ? 146 ALA   A CA    1 
ATOM   1172 C  C     . ALA   A 1 161 ? -22.407 -9.456  -1.370  1.00 9.12  ? 146 ALA   A C     1 
ATOM   1173 O  O     . ALA   A 1 161 ? -21.905 -8.935  -0.374  1.00 9.57  ? 146 ALA   A O     1 
ATOM   1174 C  CB    . ALA   A 1 161 ? -21.482 -8.324  -3.407  1.00 8.67  ? 146 ALA   A CB    1 
ATOM   1175 N  N     . LYS   A 1 162 ? -23.670 -9.882  -1.437  1.00 9.53  ? 147 LYS   A N     1 
ATOM   1176 C  CA    . LYS   A 1 162 ? -24.609 -9.763  -0.296  1.00 10.36 ? 147 LYS   A CA    1 
ATOM   1177 C  C     . LYS   A 1 162 ? -24.299 -10.822 0.766   1.00 9.92  ? 147 LYS   A C     1 
ATOM   1178 O  O     . LYS   A 1 162 ? -24.161 -10.459 1.944   1.00 10.33 ? 147 LYS   A O     1 
ATOM   1179 C  CB    . LYS   A 1 162 ? -26.049 -9.865  -0.801  1.00 11.68 ? 147 LYS   A CB    1 
ATOM   1180 C  CG    . LYS   A 1 162 ? -27.116 -9.717  0.274   1.00 13.18 ? 147 LYS   A CG    1 
ATOM   1181 C  CD    . LYS   A 1 162 ? -28.514 -9.686  -0.294  1.00 14.83 ? 147 LYS   A CD    1 
ATOM   1182 C  CE    . LYS   A 1 162 ? -29.589 -9.674  0.771   1.00 16.42 ? 147 LYS   A CE    1 
ATOM   1183 N  NZ    . LYS   A 1 162 ? -30.940 -9.791  0.177   1.00 17.53 ? 147 LYS   A NZ    1 
ATOM   1184 N  N     . THR   A 1 163 ? -24.258 -12.099 0.371   1.00 9.11  ? 148 THR   A N     1 
ATOM   1185 C  CA    . THR   A 1 163 ? -24.076 -13.181 1.378   1.00 9.09  ? 148 THR   A CA    1 
ATOM   1186 C  C     . THR   A 1 163 ? -22.611 -13.497 1.679   1.00 8.67  ? 148 THR   A C     1 
ATOM   1187 O  O     . THR   A 1 163 ? -22.420 -14.143 2.709   1.00 8.79  ? 148 THR   A O     1 
ATOM   1188 C  CB    . THR   A 1 163 ? -24.759 -14.475 0.918   1.00 9.39  ? 148 THR   A CB    1 
ATOM   1189 O  OG1   . THR   A 1 163 ? -23.994 -14.984 -0.178  1.00 9.24  ? 148 THR   A OG1   1 
ATOM   1190 C  CG2   . THR   A 1 163 ? -26.193 -14.253 0.489   1.00 9.67  ? 148 THR   A CG2   1 
ATOM   1191 N  N     . ARG   A 1 164 ? -21.694 -13.049 0.803   1.00 8.54  ? 149 ARG   A N     1 
ATOM   1192 C  CA    . ARG   A 1 164 ? -20.214 -13.288 0.768   1.00 8.82  ? 149 ARG   A CA    1 
ATOM   1193 C  C     . ARG   A 1 164 ? -19.867 -14.577 0.018   1.00 8.81  ? 149 ARG   A C     1 
ATOM   1194 O  O     . ARG   A 1 164 ? -18.663 -14.804 -0.130  1.00 8.73  ? 149 ARG   A O     1 
ATOM   1195 C  CB    . ARG   A 1 164 ? -19.465 -13.273 2.111   1.00 9.36  ? 149 ARG   A CB    1 
ATOM   1196 C  CG    . ARG   A 1 164 ? -19.813 -12.077 2.980   1.00 9.85  ? 149 ARG   A CG    1 
ATOM   1197 C  CD    . ARG   A 1 164 ? -19.345 -12.201 4.415   1.00 10.22 ? 149 ARG   A CD    1 
ATOM   1198 N  NE    . ARG   A 1 164 ? -19.371 -10.899 5.068   1.00 10.88 ? 149 ARG   A NE    1 
ATOM   1199 C  CZ    . ARG   A 1 164 ? -19.403 -10.710 6.379   1.00 11.15 ? 149 ARG   A CZ    1 
ATOM   1200 N  NH1   . ARG   A 1 164 ? -19.445 -11.745 7.199   1.00 11.65 ? 149 ARG   A NH1   1 
ATOM   1201 N  NH2   . ARG   A 1 164 ? -19.423 -9.484  6.864   1.00 12.03 ? 149 ARG   A NH2   1 
ATOM   1202 N  N     . GLN   A 1 165 ? -20.851 -15.329 -0.491  1.00 9.08  ? 150 GLN   A N     1 
ATOM   1203 C  CA    . GLN   A 1 165 ? -20.521 -16.577 -1.234  1.00 9.67  ? 150 GLN   A CA    1 
ATOM   1204 C  C     . GLN   A 1 165 ? -19.536 -16.254 -2.370  1.00 9.09  ? 150 GLN   A C     1 
ATOM   1205 O  O     . GLN   A 1 165 ? -19.800 -15.338 -3.145  1.00 8.96  ? 150 GLN   A O     1 
ATOM   1206 C  CB    . GLN   A 1 165 ? -21.795 -17.134 -1.904  1.00 11.09 ? 150 GLN   A CB    1 
ATOM   1207 C  CG    . GLN   A 1 165 ? -21.540 -18.157 -3.016  1.00 11.75 ? 150 GLN   A CG    1 
ATOM   1208 C  CD    . GLN   A 1 165 ? -22.717 -18.455 -3.921  1.00 12.26 ? 150 GLN   A CD    1 
ATOM   1209 O  OE1   . GLN   A 1 165 ? -23.872 -18.420 -3.496  1.00 12.23 ? 150 GLN   A OE1   1 
ATOM   1210 N  NE2   . GLN   A 1 165 ? -22.427 -18.770 -5.181  1.00 13.22 ? 150 GLN   A NE2   1 
ATOM   1211 N  N     . GLY   A 1 166 ? -18.436 -17.004 -2.454  1.00 8.92  ? 151 GLY   A N     1 
ATOM   1212 C  CA    . GLY   A 1 166 ? -17.464 -16.901 -3.563  1.00 8.93  ? 151 GLY   A CA    1 
ATOM   1213 C  C     . GLY   A 1 166 ? -16.645 -15.617 -3.625  1.00 9.06  ? 151 GLY   A C     1 
ATOM   1214 O  O     . GLY   A 1 166 ? -15.782 -15.546 -4.490  1.00 9.58  ? 151 GLY   A O     1 
ATOM   1215 N  N     . VAL   A 1 167 ? -16.854 -14.652 -2.729  1.00 8.94  ? 152 VAL   A N     1 
ATOM   1216 C  CA    . VAL   A 1 167 ? -16.127 -13.347 -2.868  1.00 9.26  ? 152 VAL   A CA    1 
ATOM   1217 C  C     . VAL   A 1 167 ? -14.607 -13.523 -2.714  1.00 9.47  ? 152 VAL   A C     1 
ATOM   1218 O  O     . VAL   A 1 167 ? -13.866 -13.084 -3.599  1.00 9.71  ? 152 VAL   A O     1 
ATOM   1219 C  CB    . VAL   A 1 167 ? -16.694 -12.273 -1.921  1.00 9.39  ? 152 VAL   A CB    1 
ATOM   1220 C  CG1   . VAL   A 1 167 ? -15.898 -10.981 -2.020  1.00 9.63  ? 152 VAL   A CG1   1 
ATOM   1221 C  CG2   . VAL   A 1 167 ? -18.169 -12.026 -2.211  1.00 9.27  ? 152 VAL   A CG2   1 
ATOM   1222 N  N     . ASP   A 1 168 ? -14.148 -14.081 -1.596  1.00 9.87  ? 153 ASP   A N     1 
ATOM   1223 C  CA    . ASP   A 1 168 ? -12.684 -14.293 -1.438  1.00 10.52 ? 153 ASP   A CA    1 
ATOM   1224 C  C     . ASP   A 1 168 ? -12.178 -15.192 -2.573  1.00 10.47 ? 153 ASP   A C     1 
ATOM   1225 O  O     . ASP   A 1 168 ? -11.119 -14.910 -3.115  1.00 10.63 ? 153 ASP   A O     1 
ATOM   1226 C  CB    . ASP   A 1 168 ? -12.362 -14.940 -0.090  1.00 11.35 ? 153 ASP   A CB    1 
ATOM   1227 C  CG    . ASP   A 1 168 ? -12.323 -13.962 1.067   1.00 12.67 ? 153 ASP   A CG    1 
ATOM   1228 O  OD1   . ASP   A 1 168 ? -12.404 -12.765 0.812   1.00 14.12 ? 153 ASP   A OD1   1 
ATOM   1229 O  OD2   . ASP   A 1 168 ? -12.190 -14.421 2.202   1.00 14.05 ? 153 ASP   A OD2   1 
ATOM   1230 N  N     . ASP   A 1 169 ? -12.921 -16.249 -2.908  1.00 10.25 ? 154 ASP   A N     1 
ATOM   1231 C  CA    . ASP   A 1 169 ? -12.497 -17.200 -3.965  1.00 10.47 ? 154 ASP   A CA    1 
ATOM   1232 C  C     . ASP   A 1 169 ? -12.269 -16.433 -5.272  1.00 10.19 ? 154 ASP   A C     1 
ATOM   1233 O  O     . ASP   A 1 169 ? -11.259 -16.688 -5.934  1.00 10.47 ? 154 ASP   A O     1 
ATOM   1234 C  CB    . ASP   A 1 169 ? -13.520 -18.324 -4.114  1.00 11.30 ? 154 ASP   A CB    1 
ATOM   1235 C  CG    . ASP   A 1 169 ? -13.079 -19.468 -5.010  1.00 12.13 ? 154 ASP   A CG    1 
ATOM   1236 O  OD1   . ASP   A 1 169 ? -11.851 -19.674 -5.165  1.00 13.31 ? 154 ASP   A OD1   1 
ATOM   1237 O  OD2   . ASP   A 1 169 ? -13.967 -20.140 -5.554  1.00 13.27 ? 154 ASP   A OD2   1 
ATOM   1238 N  N     . ALA   A 1 170 ? -13.159 -15.515 -5.644  1.00 9.76  ? 155 ALA   A N     1 
ATOM   1239 C  CA    . ALA   A 1 170 ? -13.039 -14.774 -6.917  1.00 9.76  ? 155 ALA   A CA    1 
ATOM   1240 C  C     . ALA   A 1 170 ? -11.733 -13.973 -6.920  1.00 9.64  ? 155 ALA   A C     1 
ATOM   1241 O  O     . ALA   A 1 170 ? -10.941 -14.106 -7.872  1.00 9.99  ? 155 ALA   A O     1 
ATOM   1242 C  CB    . ALA   A 1 170 ? -14.242 -13.896 -7.132  1.00 9.69  ? 155 ALA   A CB    1 
ATOM   1243 N  N     . PHE   A 1 171 ? -11.484 -13.185 -5.881  1.00 9.57  ? 156 PHE   A N     1 
ATOM   1244 C  CA    . PHE   A 1 171 ? -10.299 -12.291 -5.831  1.00 9.53  ? 156 PHE   A CA    1 
ATOM   1245 C  C     . PHE   A 1 171 ? -9.023  -13.116 -5.643  1.00 9.52  ? 156 PHE   A C     1 
ATOM   1246 O  O     . PHE   A 1 171 ? -8.010  -12.820 -6.293  1.00 9.65  ? 156 PHE   A O     1 
ATOM   1247 C  CB    . PHE   A 1 171 ? -10.464 -11.225 -4.751  1.00 9.68  ? 156 PHE   A CB    1 
ATOM   1248 C  CG    . PHE   A 1 171 ? -11.434 -10.131 -5.117  1.00 9.81  ? 156 PHE   A CG    1 
ATOM   1249 C  CD1   . PHE   A 1 171 ? -11.025 -9.050  -5.881  1.00 10.01 ? 156 PHE   A CD1   1 
ATOM   1250 C  CD2   . PHE   A 1 171 ? -12.755 -10.177 -4.697  1.00 9.69  ? 156 PHE   A CD2   1 
ATOM   1251 C  CE1   . PHE   A 1 171 ? -11.912 -8.035  -6.207  1.00 10.00 ? 156 PHE   A CE1   1 
ATOM   1252 C  CE2   . PHE   A 1 171 ? -13.642 -9.163  -5.025  1.00 9.89  ? 156 PHE   A CE2   1 
ATOM   1253 C  CZ    . PHE   A 1 171 ? -13.218 -8.093  -5.781  1.00 10.01 ? 156 PHE   A CZ    1 
ATOM   1254 N  N     . TYR   A 1 172 ? -9.056  -14.131 -4.786  1.00 9.75  ? 157 TYR   A N     1 
ATOM   1255 C  CA    . TYR   A 1 172 ? -7.856  -14.957 -4.495  1.00 10.49 ? 157 TYR   A CA    1 
ATOM   1256 C  C     . TYR   A 1 172 ? -7.505  -15.794 -5.728  1.00 10.31 ? 157 TYR   A C     1 
ATOM   1257 O  O     . TYR   A 1 172 ? -6.305  -15.959 -6.019  1.00 10.83 ? 157 TYR   A O     1 
ATOM   1258 C  CB    . TYR   A 1 172 ? -8.081  -15.833 -3.267  1.00 11.09 ? 157 TYR   A CB    1 
ATOM   1259 C  CG    . TYR   A 1 172 ? -8.138  -15.112 -1.944  1.00 11.82 ? 157 TYR   A CG    1 
ATOM   1260 C  CD1   . TYR   A 1 172 ? -8.215  -13.729 -1.842  1.00 12.15 ? 157 TYR   A CD1   1 
ATOM   1261 C  CD2   . TYR   A 1 172 ? -8.155  -15.842 -0.768  1.00 12.85 ? 157 TYR   A CD2   1 
ATOM   1262 C  CE1   . TYR   A 1 172 ? -8.278  -13.097 -0.608  1.00 12.97 ? 157 TYR   A CE1   1 
ATOM   1263 C  CE2   . TYR   A 1 172 ? -8.215  -15.227 0.470   1.00 13.52 ? 157 TYR   A CE2   1 
ATOM   1264 C  CZ    . TYR   A 1 172 ? -8.283  -13.850 0.552   1.00 13.25 ? 157 TYR   A CZ    1 
ATOM   1265 O  OH    . TYR   A 1 172 ? -8.342  -13.255 1.779   1.00 14.82 ? 157 TYR   A OH    1 
ATOM   1266 N  N     . THR   A 1 173 ? -8.503  -16.291 -6.457  1.00 10.15 ? 158 THR   A N     1 
ATOM   1267 C  CA    . THR   A 1 173 ? -8.263  -17.035 -7.718  1.00 10.39 ? 158 THR   A CA    1 
ATOM   1268 C  C     . THR   A 1 173 ? -7.566  -16.105 -8.712  1.00 10.38 ? 158 THR   A C     1 
ATOM   1269 O  O     . THR   A 1 173 ? -6.625  -16.560 -9.385  1.00 11.08 ? 158 THR   A O     1 
ATOM   1270 C  CB    . THR   A 1 173 ? -9.557  -17.626 -8.287  1.00 10.39 ? 158 THR   A CB    1 
ATOM   1271 O  OG1   . THR   A 1 173 ? -10.045 -18.606 -7.371  1.00 10.68 ? 158 THR   A OG1   1 
ATOM   1272 C  CG2   . THR   A 1 173 ? -9.355  -18.285 -9.632  1.00 10.66 ? 158 THR   A CG2   1 
ATOM   1273 N  N     . LEU   A 1 174 ? -7.977  -14.838 -8.799  1.00 10.26 ? 159 LEU   A N     1 
ATOM   1274 C  CA    . LEU   A 1 174 ? -7.320  -13.885 -9.727  1.00 10.30 ? 159 LEU   A CA    1 
ATOM   1275 C  C     . LEU   A 1 174 ? -5.859  -13.693 -9.300  1.00 10.65 ? 159 LEU   A C     1 
ATOM   1276 O  O     . LEU   A 1 174 ? -4.982  -13.689 -10.180 1.00 10.78 ? 159 LEU   A O     1 
ATOM   1277 C  CB    . LEU   A 1 174 ? -8.093  -12.567 -9.769  1.00 10.21 ? 159 LEU   A CB    1 
ATOM   1278 C  CG    . LEU   A 1 174 ? -7.516  -11.532 -10.732 1.00 10.57 ? 159 LEU   A CG    1 
ATOM   1279 C  CD1   . LEU   A 1 174 ? -7.340  -12.104 -12.137 1.00 10.76 ? 159 LEU   A CD1   1 
ATOM   1280 C  CD2   . LEU   A 1 174 ? -8.389  -10.289 -10.758 1.00 10.83 ? 159 LEU   A CD2   1 
ATOM   1281 N  N     . VAL   A 1 175 ? -5.588  -13.574 -8.004  1.00 10.63 ? 160 VAL   A N     1 
ATOM   1282 C  CA    . VAL   A 1 175 ? -4.185  -13.475 -7.504  1.00 11.20 ? 160 VAL   A CA    1 
ATOM   1283 C  C     . VAL   A 1 175 ? -3.407  -14.719 -7.956  1.00 11.78 ? 160 VAL   A C     1 
ATOM   1284 O  O     . VAL   A 1 175 ? -2.271  -14.567 -8.441  1.00 12.06 ? 160 VAL   A O     1 
ATOM   1285 C  CB    . VAL   A 1 175 ? -4.144  -13.287 -5.980  1.00 11.00 ? 160 VAL   A CB    1 
ATOM   1286 C  CG1   . VAL   A 1 175 ? -2.739  -13.479 -5.433  1.00 11.32 ? 160 VAL   A CG1   1 
ATOM   1287 C  CG2   . VAL   A 1 175 ? -4.700  -11.928 -5.577  1.00 11.09 ? 160 VAL   A CG2   1 
ATOM   1288 N  N     . ARG   A 1 176 ? -3.997  -15.906 -7.849  1.00 12.02 ? 161 ARG   A N     1 
ATOM   1289 C  CA    . ARG   A 1 176 ? -3.317  -17.163 -8.261  1.00 13.01 ? 161 ARG   A CA    1 
ATOM   1290 C  C     . ARG   A 1 176 ? -3.071  -17.161 -9.775  1.00 13.40 ? 161 ARG   A C     1 
ATOM   1291 O  O     . ARG   A 1 176 ? -2.002  -17.655 -10.200 1.00 13.96 ? 161 ARG   A O     1 
ATOM   1292 C  CB    . ARG   A 1 176 ? -4.115  -18.380 -7.797  1.00 13.15 ? 161 ARG   A CB    1 
ATOM   1293 C  CG    . ARG   A 1 176 ? -4.162  -18.508 -6.285  1.00 13.43 ? 161 ARG   A CG    1 
ATOM   1294 C  CD    . ARG   A 1 176 ? -4.983  -19.688 -5.822  1.00 14.06 ? 161 ARG   A CD    1 
ATOM   1295 N  NE    . ARG   A 1 176 ? -5.109  -19.667 -4.374  1.00 14.16 ? 161 ARG   A NE    1 
ATOM   1296 C  CZ    . ARG   A 1 176 ? -6.243  -19.539 -3.691  1.00 14.25 ? 161 ARG   A CZ    1 
ATOM   1297 N  NH1   . ARG   A 1 176 ? -7.409  -19.444 -4.311  1.00 14.94 ? 161 ARG   A NH1   1 
ATOM   1298 N  NH2   . ARG   A 1 176 ? -6.207  -19.516 -2.372  1.00 14.31 ? 161 ARG   A NH2   1 
ATOM   1299 N  N     . GLU   A 1 177 ? -3.985  -16.607 -10.570 1.00 13.31 ? 162 GLU   A N     1 
ATOM   1300 C  CA    . GLU   A 1 177 ? -3.795  -16.484 -12.040 1.00 13.87 ? 162 GLU   A CA    1 
ATOM   1301 C  C     . GLU   A 1 177 ? -2.627  -15.531 -12.320 1.00 13.95 ? 162 GLU   A C     1 
ATOM   1302 O  O     . GLU   A 1 177 ? -1.831  -15.825 -13.238 1.00 14.21 ? 162 GLU   A O     1 
ATOM   1303 C  CB    . GLU   A 1 177 ? -5.079  -16.016 -12.727 1.00 14.01 ? 162 GLU   A CB    1 
ATOM   1304 C  CG    . GLU   A 1 177 ? -6.176  -17.065 -12.728 1.00 14.83 ? 162 GLU   A CG    1 
ATOM   1305 C  CD    . GLU   A 1 177 ? -5.833  -18.323 -13.505 1.00 15.65 ? 162 GLU   A CD    1 
ATOM   1306 O  OE1   . GLU   A 1 177 ? -5.749  -18.243 -14.740 1.00 16.55 ? 162 GLU   A OE1   1 
ATOM   1307 O  OE2   . GLU   A 1 177 ? -5.639  -19.371 -12.868 1.00 18.00 ? 162 GLU   A OE2   1 
ATOM   1308 N  N     . ILE   A 1 178 ? -2.502  -14.440 -11.559 1.00 14.05 ? 163 ILE   A N     1 
ATOM   1309 C  CA    . ILE   A 1 178 ? -1.383  -13.463 -11.722 1.00 14.52 ? 163 ILE   A CA    1 
ATOM   1310 C  C     . ILE   A 1 178 ? -0.057  -14.172 -11.412 1.00 15.64 ? 163 ILE   A C     1 
ATOM   1311 O  O     . ILE   A 1 178 ? 0.896   -14.010 -12.198 1.00 16.41 ? 163 ILE   A O     1 
ATOM   1312 C  CB    . ILE   A 1 178 ? -1.599  -12.202 -10.862 1.00 13.93 ? 163 ILE   A CB    1 
ATOM   1313 C  CG1   . ILE   A 1 178 ? -2.786  -11.384 -11.379 1.00 13.77 ? 163 ILE   A CG1   1 
ATOM   1314 C  CG2   . ILE   A 1 178 ? -0.325  -11.366 -10.788 1.00 14.00 ? 163 ILE   A CG2   1 
ATOM   1315 C  CD1   . ILE   A 1 178 ? -3.295  -10.349 -10.403 1.00 13.75 ? 163 ILE   A CD1   1 
ATOM   1316 N  N     . ARG   A 1 179 ? 0.006   -14.955 -10.335 1.00 16.07 ? 164 ARG   A N     1 
ATOM   1317 C  CA    . ARG   A 1 179 ? 1.228   -15.727 -9.971  1.00 17.54 ? 164 ARG   A CA    1 
ATOM   1318 C  C     . ARG   A 1 179 ? 1.625   -16.666 -11.111 1.00 19.05 ? 164 ARG   A C     1 
ATOM   1319 O  O     . ARG   A 1 179 ? 2.833   -16.756 -11.404 1.00 19.21 ? 164 ARG   A O     1 
ATOM   1320 C  CB    . ARG   A 1 179 ? 0.992   -16.567 -8.721  1.00 17.38 ? 164 ARG   A CB    1 
ATOM   1321 C  CG    . ARG   A 1 179 ? 0.852   -15.744 -7.456  1.00 17.09 ? 164 ARG   A CG    1 
ATOM   1322 C  CD    . ARG   A 1 179 ? 0.417   -16.680 -6.360  1.00 17.14 ? 164 ARG   A CD    1 
ATOM   1323 N  NE    . ARG   A 1 179 ? 0.290   -16.030 -5.073  1.00 17.12 ? 164 ARG   A NE    1 
ATOM   1324 C  CZ    . ARG   A 1 179 ? -0.309  -16.578 -4.027  1.00 16.85 ? 164 ARG   A CZ    1 
ATOM   1325 N  NH1   . ARG   A 1 179 ? -0.844  -17.785 -4.125  1.00 17.06 ? 164 ARG   A NH1   1 
ATOM   1326 N  NH2   . ARG   A 1 179 ? -0.380  -15.912 -2.891  1.00 16.49 ? 164 ARG   A NH2   1 
ATOM   1327 N  N     . LYS   A 1 180 ? 0.651   -17.366 -11.699 1.00 20.58 ? 165 LYS   A N     1 
ATOM   1328 C  CA    . LYS   A 1 180 ? 0.872   -18.330 -12.809 1.00 22.49 ? 165 LYS   A CA    1 
ATOM   1329 C  C     . LYS   A 1 180 ? 1.522   -17.593 -13.986 1.00 23.12 ? 165 LYS   A C     1 
ATOM   1330 O  O     . LYS   A 1 180 ? 2.460   -18.152 -14.588 1.00 23.57 ? 165 LYS   A O     1 
ATOM   1331 C  CB    . LYS   A 1 180 ? -0.452  -18.987 -13.209 1.00 23.84 ? 165 LYS   A CB    1 
ATOM   1332 C  CG    . LYS   A 1 180 ? -0.338  -20.164 -14.168 1.00 25.54 ? 165 LYS   A CG    1 
ATOM   1333 C  CD    . LYS   A 1 180 ? -1.590  -21.017 -14.225 1.00 26.94 ? 165 LYS   A CD    1 
ATOM   1334 C  CE    . LYS   A 1 180 ? -2.816  -20.254 -14.680 1.00 28.05 ? 165 LYS   A CE    1 
ATOM   1335 N  NZ    . LYS   A 1 180 ? -4.004  -21.135 -14.774 1.00 28.82 ? 165 LYS   A NZ    1 
ATOM   1336 N  N     . HIS   A 1 181 ? 1.060   -16.374 -14.281 1.00 23.18 ? 166 HIS   A N     1 
ATOM   1337 C  CA    . HIS   A 1 181 ? 1.562   -15.520 -15.391 1.00 24.03 ? 166 HIS   A CA    1 
ATOM   1338 C  C     . HIS   A 1 181 ? 2.990   -15.051 -15.088 1.00 25.05 ? 166 HIS   A C     1 
ATOM   1339 O  O     . HIS   A 1 181 ? 3.812   -15.046 -16.024 1.00 24.53 ? 166 HIS   A O     1 
ATOM   1340 C  CB    . HIS   A 1 181 ? 0.610   -14.343 -15.638 1.00 24.31 ? 166 HIS   A CB    1 
ATOM   1341 C  CG    . HIS   A 1 181 ? 0.959   -13.540 -16.845 1.00 24.79 ? 166 HIS   A CG    1 
ATOM   1342 N  ND1   . HIS   A 1 181 ? 1.809   -12.452 -16.788 1.00 25.53 ? 166 HIS   A ND1   1 
ATOM   1343 C  CD2   . HIS   A 1 181 ? 0.589   -13.666 -18.138 1.00 25.23 ? 166 HIS   A CD2   1 
ATOM   1344 C  CE1   . HIS   A 1 181 ? 1.944   -11.940 -17.995 1.00 25.64 ? 166 HIS   A CE1   1 
ATOM   1345 N  NE2   . HIS   A 1 181 ? 1.205   -12.668 -18.841 1.00 25.69 ? 166 HIS   A NE2   1 
ATOM   1346 N  N     . LYS   A 1 182 ? 3.268   -14.666 -13.837 1.00 25.81 ? 167 LYS   A N     1 
ATOM   1347 C  CA    . LYS   A 1 182 ? 4.617   -14.236 -13.372 1.00 27.62 ? 167 LYS   A CA    1 
ATOM   1348 C  C     . LYS   A 1 182 ? 5.567   -15.442 -13.396 1.00 29.98 ? 167 LYS   A C     1 
ATOM   1349 O  O     . LYS   A 1 182 ? 6.775   -15.230 -13.639 1.00 31.12 ? 167 LYS   A O     1 
ATOM   1350 C  CB    . LYS   A 1 182 ? 4.537   -13.607 -11.977 1.00 26.93 ? 167 LYS   A CB    1 
ATOM   1351 C  CG    . LYS   A 1 182 ? 3.815   -12.266 -11.914 1.00 26.85 ? 167 LYS   A CG    1 
ATOM   1352 C  CD    . LYS   A 1 182 ? 3.470   -11.805 -10.511 1.00 26.74 ? 167 LYS   A CD    1 
ATOM   1353 C  CE    . LYS   A 1 182 ? 4.592   -11.056 -9.823  1.00 26.72 ? 167 LYS   A CE    1 
ATOM   1354 N  NZ    . LYS   A 1 182 ? 4.190   -10.603 -8.471  1.00 26.03 ? 167 LYS   A NZ    1 
ATOM   1355 N  N     . GLU   A 1 183 ? 5.032   -16.649 -13.165 1.00 32.63 ? 168 GLU   A N     1 
ATOM   1356 C  CA    . GLU   A 1 183 ? 5.767   -17.946 -13.167 1.00 34.89 ? 168 GLU   A CA    1 
ATOM   1357 C  C     . GLU   A 1 183 ? 6.784   -17.947 -12.019 1.00 35.98 ? 168 GLU   A C     1 
ATOM   1358 O  O     . GLU   A 1 183 ? 7.981   -18.176 -12.211 1.00 37.87 ? 168 GLU   A O     1 
ATOM   1359 C  CB    . GLU   A 1 183 ? 6.434   -18.194 -14.524 1.00 35.90 ? 168 GLU   A CB    1 
ATOM   1360 C  CG    . GLU   A 1 183 ? 5.455   -18.251 -15.684 1.00 36.70 ? 168 GLU   A CG    1 
ATOM   1361 C  CD    . GLU   A 1 183 ? 6.086   -18.240 -17.066 1.00 37.88 ? 168 GLU   A CD    1 
ATOM   1362 O  OE1   . GLU   A 1 183 ? 7.309   -18.479 -17.167 1.00 38.93 ? 168 GLU   A OE1   1 
ATOM   1363 O  OE2   . GLU   A 1 183 ? 5.351   -17.988 -18.042 1.00 39.10 ? 168 GLU   A OE2   1 
HETATM 1364 MG MG    . MG    B 2 .   ? -19.877 0.936   -8.837  1.00 8.31  ? 301 MG    A MG    1 
HETATM 1365 P  PB    . GDP   C 3 .   ? -21.713 -1.583  -10.015 1.00 8.38  ? 302 GDP   A PB    1 
HETATM 1366 O  O1B   . GDP   C 3 .   ? -21.207 -2.730  -10.858 1.00 8.41  ? 302 GDP   A O1B   1 
HETATM 1367 O  O2B   . GDP   C 3 .   ? -20.687 -1.009  -9.107  1.00 8.66  ? 302 GDP   A O2B   1 
HETATM 1368 O  O3B   . GDP   C 3 .   ? -22.472 -0.540  -10.814 1.00 8.57  ? 302 GDP   A O3B   1 
HETATM 1369 O  O3A   . GDP   C 3 .   ? -22.789 -2.318  -9.046  1.00 8.76  ? 302 GDP   A O3A   1 
HETATM 1370 P  PA    . GDP   C 3 .   ? -23.099 -1.998  -7.495  1.00 8.62  ? 302 GDP   A PA    1 
HETATM 1371 O  O1A   . GDP   C 3 .   ? -22.038 -2.615  -6.624  1.00 8.63  ? 302 GDP   A O1A   1 
HETATM 1372 O  O2A   . GDP   C 3 .   ? -23.418 -0.528  -7.354  1.00 8.74  ? 302 GDP   A O2A   1 
HETATM 1373 O  "O5'" . GDP   C 3 .   ? -24.424 -2.870  -7.279  1.00 8.82  ? 302 GDP   A "O5'" 1 
HETATM 1374 C  "C5'" . GDP   C 3 .   ? -25.628 -2.565  -7.992  1.00 9.16  ? 302 GDP   A "C5'" 1 
HETATM 1375 C  "C4'" . GDP   C 3 .   ? -26.837 -2.898  -7.135  1.00 9.27  ? 302 GDP   A "C4'" 1 
HETATM 1376 O  "O4'" . GDP   C 3 .   ? -26.911 -4.325  -7.009  1.00 9.12  ? 302 GDP   A "O4'" 1 
HETATM 1377 C  "C3'" . GDP   C 3 .   ? -26.794 -2.341  -5.725  1.00 9.37  ? 302 GDP   A "C3'" 1 
HETATM 1378 O  "O3'" . GDP   C 3 .   ? -28.139 -2.038  -5.339  1.00 9.95  ? 302 GDP   A "O3'" 1 
HETATM 1379 C  "C2'" . GDP   C 3 .   ? -26.247 -3.494  -4.907  1.00 9.34  ? 302 GDP   A "C2'" 1 
HETATM 1380 O  "O2'" . GDP   C 3 .   ? -26.697 -3.494  -3.556  1.00 9.76  ? 302 GDP   A "O2'" 1 
HETATM 1381 C  "C1'" . GDP   C 3 .   ? -26.813 -4.689  -5.637  1.00 9.10  ? 302 GDP   A "C1'" 1 
HETATM 1382 N  N9    . GDP   C 3 .   ? -25.952 -5.880  -5.542  1.00 8.84  ? 302 GDP   A N9    1 
HETATM 1383 C  C8    . GDP   C 3 .   ? -24.644 -5.955  -5.861  1.00 8.77  ? 302 GDP   A C8    1 
HETATM 1384 N  N7    . GDP   C 3 .   ? -24.181 -7.211  -5.688  1.00 8.96  ? 302 GDP   A N7    1 
HETATM 1385 C  C5    . GDP   C 3 .   ? -25.221 -7.934  -5.270  1.00 9.22  ? 302 GDP   A C5    1 
HETATM 1386 C  C6    . GDP   C 3 .   ? -25.433 -9.327  -4.906  1.00 9.40  ? 302 GDP   A C6    1 
HETATM 1387 O  O6    . GDP   C 3 .   ? -24.528 -10.179 -4.958  1.00 9.41  ? 302 GDP   A O6    1 
HETATM 1388 N  N1    . GDP   C 3 .   ? -26.678 -9.673  -4.533  1.00 9.63  ? 302 GDP   A N1    1 
HETATM 1389 C  C2    . GDP   C 3 .   ? -27.722 -8.812  -4.471  1.00 10.19 ? 302 GDP   A C2    1 
HETATM 1390 N  N2    . GDP   C 3 .   ? -28.930 -9.270  -4.071  1.00 10.84 ? 302 GDP   A N2    1 
HETATM 1391 N  N3    . GDP   C 3 .   ? -27.611 -7.509  -4.797  1.00 9.83  ? 302 GDP   A N3    1 
HETATM 1392 C  C4    . GDP   C 3 .   ? -26.395 -7.065  -5.184  1.00 9.41  ? 302 GDP   A C4    1 
HETATM 1393 C  C30   . A1BH5 D 4 .   ? -22.651 2.397   -14.030 1.00 11.28 ? 303 A1BH5 A C30   1 
HETATM 1394 C  C29   . A1BH5 D 4 .   ? -21.189 2.854   -14.062 1.00 11.07 ? 303 A1BH5 A C29   1 
HETATM 1395 C  C31   . A1BH5 D 4 .   ? -20.159 1.727   -14.110 1.00 11.05 ? 303 A1BH5 A C31   1 
HETATM 1396 O  O2    . A1BH5 D 4 .   ? -20.026 0.979   -13.144 1.00 10.87 ? 303 A1BH5 A O2    1 
HETATM 1397 N  N3    . A1BH5 D 4 .   ? -19.447 1.563   -15.214 1.00 11.12 ? 303 A1BH5 A N3    1 
HETATM 1398 C  C17   . A1BH5 D 4 .   ? -19.381 2.232   -16.525 1.00 11.39 ? 303 A1BH5 A C17   1 
HETATM 1399 C  C16   . A1BH5 D 4 .   ? -18.350 0.635   -15.541 1.00 11.13 ? 303 A1BH5 A C16   1 
HETATM 1400 C  C12   . A1BH5 D 4 .   ? -18.028 1.548   -16.725 1.00 11.63 ? 303 A1BH5 A C12   1 
HETATM 1401 C  C13   . A1BH5 D 4 .   ? -17.841 0.809   -18.054 1.00 11.62 ? 303 A1BH5 A C13   1 
HETATM 1402 C  C11   . A1BH5 D 4 .   ? -16.824 2.471   -16.560 1.00 12.05 ? 303 A1BH5 A C11   1 
HETATM 1403 C  C10   . A1BH5 D 4 .   ? -15.738 1.755   -17.361 1.00 12.28 ? 303 A1BH5 A C10   1 
HETATM 1404 N  N2    . A1BH5 D 4 .   ? -16.374 0.674   -18.155 1.00 12.18 ? 303 A1BH5 A N2    1 
HETATM 1405 C  C9    . A1BH5 D 4 .   ? -15.845 0.271   -19.331 1.00 12.68 ? 303 A1BH5 A C9    1 
HETATM 1406 C  C8    . A1BH5 D 4 .   ? -14.486 0.278   -19.622 1.00 12.84 ? 303 A1BH5 A C8    1 
HETATM 1407 F  F1    . A1BH5 D 4 .   ? -13.626 0.673   -18.653 1.00 13.63 ? 303 A1BH5 A F1    1 
HETATM 1408 N  N1    . A1BH5 D 4 .   ? -16.681 -0.157  -20.287 1.00 12.89 ? 303 A1BH5 A N1    1 
HETATM 1409 C  C6    . A1BH5 D 4 .   ? -16.196 -0.570  -21.465 1.00 13.36 ? 303 A1BH5 A C6    1 
HETATM 1410 C  C1    . A1BH5 D 4 .   ? -17.184 -1.088  -22.509 1.00 13.96 ? 303 A1BH5 A C1    1 
HETATM 1411 C  C2    . A1BH5 D 4 .   ? -16.825 -0.585  -23.913 1.00 14.23 ? 303 A1BH5 A C2    1 
HETATM 1412 C  C15   . A1BH5 D 4 .   ? -17.932 -0.912  -24.919 1.00 14.53 ? 303 A1BH5 A C15   1 
HETATM 1413 C  C14   . A1BH5 D 4 .   ? -16.407 0.889   -23.992 1.00 14.44 ? 303 A1BH5 A C14   1 
HETATM 1414 C  C18   . A1BH5 D 4 .   ? -16.585 -2.424  -22.947 1.00 14.32 ? 303 A1BH5 A C18   1 
HETATM 1415 C  C3    . A1BH5 D 4 .   ? -15.699 -1.625  -23.905 1.00 14.12 ? 303 A1BH5 A C3    1 
HETATM 1416 C  C4    . A1BH5 D 4 .   ? -14.465 -1.095  -23.175 1.00 13.61 ? 303 A1BH5 A C4    1 
HETATM 1417 C  C5    . A1BH5 D 4 .   ? -14.847 -0.590  -21.783 1.00 13.17 ? 303 A1BH5 A C5    1 
HETATM 1418 C  C7    . A1BH5 D 4 .   ? -13.938 -0.146  -20.826 1.00 12.96 ? 303 A1BH5 A C7    1 
HETATM 1419 C  C19   . A1BH5 D 4 .   ? -12.540 -0.046  -21.038 1.00 12.86 ? 303 A1BH5 A C19   1 
HETATM 1420 C  C20   . A1BH5 D 4 .   ? -12.085 1.129   -21.637 1.00 13.16 ? 303 A1BH5 A C20   1 
HETATM 1421 C  C28   . A1BH5 D 4 .   ? -11.585 -0.984  -20.648 1.00 13.03 ? 303 A1BH5 A C28   1 
HETATM 1422 C  C27   . A1BH5 D 4 .   ? -11.975 -2.170  -20.036 1.00 13.24 ? 303 A1BH5 A C27   1 
HETATM 1423 C  C26   . A1BH5 D 4 .   ? -11.034 -3.114  -19.656 1.00 13.48 ? 303 A1BH5 A C26   1 
HETATM 1424 C  C25   . A1BH5 D 4 .   ? -9.684  -2.869  -19.886 1.00 13.60 ? 303 A1BH5 A C25   1 
HETATM 1425 C  C24   . A1BH5 D 4 .   ? -9.276  -1.681  -20.486 1.00 13.43 ? 303 A1BH5 A C24   1 
HETATM 1426 C  C23   . A1BH5 D 4 .   ? -10.234 -0.743  -20.863 1.00 13.16 ? 303 A1BH5 A C23   1 
HETATM 1427 C  C22   . A1BH5 D 4 .   ? -9.817  0.438   -21.474 1.00 13.15 ? 303 A1BH5 A C22   1 
HETATM 1428 C  C21   . A1BH5 D 4 .   ? -10.741 1.399   -21.875 1.00 13.24 ? 303 A1BH5 A C21   1 
HETATM 1429 O  O1    . A1BH5 D 4 .   ? -10.366 2.562   -22.481 1.00 13.52 ? 303 A1BH5 A O1    1 
HETATM 1430 C  C1    . EDO   E 5 .   ? -5.110  -1.133  -8.996  1.00 22.58 ? 304 EDO   A C1    1 
HETATM 1431 O  O1    . EDO   E 5 .   ? -5.183  0.125   -8.347  1.00 22.50 ? 304 EDO   A O1    1 
HETATM 1432 C  C2    . EDO   E 5 .   ? -4.820  -1.032  -10.445 1.00 22.92 ? 304 EDO   A C2    1 
HETATM 1433 O  O2    . EDO   E 5 .   ? -3.477  -0.673  -10.709 1.00 23.33 ? 304 EDO   A O2    1 
HETATM 1434 C  C1    . EDO   F 5 .   ? -26.397 2.419   -7.815  1.00 13.44 ? 305 EDO   A C1    1 
HETATM 1435 O  O1    . EDO   F 5 .   ? -25.183 2.562   -8.518  1.00 13.20 ? 305 EDO   A O1    1 
HETATM 1436 C  C2    . EDO   F 5 .   ? -26.564 1.074   -7.228  1.00 12.98 ? 305 EDO   A C2    1 
HETATM 1437 O  O2    . EDO   F 5 .   ? -25.536 0.770   -6.314  1.00 11.39 ? 305 EDO   A O2    1 
HETATM 1438 C  C1    . EDO   G 5 .   ? -15.354 -11.556 1.736   1.00 21.83 ? 306 EDO   A C1    1 
HETATM 1439 O  O1    . EDO   G 5 .   ? -14.069 -10.978 1.827   1.00 23.36 ? 306 EDO   A O1    1 
HETATM 1440 C  C2    . EDO   G 5 .   ? -16.104 -11.537 3.004   1.00 21.35 ? 306 EDO   A C2    1 
HETATM 1441 O  O2    . EDO   G 5 .   ? -16.162 -10.252 3.595   1.00 18.22 ? 306 EDO   A O2    1 
HETATM 1442 O  O     . HOH   H 6 .   ? -14.067 -9.103  3.226   1.00 8.46  ? 401 HOH   A O     1 
HETATM 1443 O  O     . HOH   H 6 .   ? -15.280 -2.689  7.857   1.00 27.85 ? 402 HOH   A O     1 
HETATM 1444 O  O     . HOH   H 6 .   ? -15.329 2.821   -6.373  1.00 11.94 ? 403 HOH   A O     1 
HETATM 1445 O  O     . HOH   H 6 .   ? -22.668 -0.440  -18.509 1.00 21.32 ? 404 HOH   A O     1 
HETATM 1446 O  O     . HOH   H 6 .   ? -4.521  2.092   -4.751  1.00 21.06 ? 405 HOH   A O     1 
HETATM 1447 O  O     . HOH   H 6 .   ? 2.375   -8.597  -8.405  1.00 21.51 ? 406 HOH   A O     1 
HETATM 1448 O  O     . HOH   H 6 .   ? -18.052 0.468   -9.829  1.00 9.67  ? 407 HOH   A O     1 
HETATM 1449 O  O     . HOH   H 6 .   ? 0.344   2.759   -17.808 1.00 29.22 ? 408 HOH   A O     1 
HETATM 1450 O  O     . HOH   H 6 .   ? -4.335  3.840   -25.763 1.00 27.27 ? 409 HOH   A O     1 
HETATM 1451 O  O     . HOH   H 6 .   ? -21.698 1.381   -7.829  1.00 8.75  ? 410 HOH   A O     1 
HETATM 1452 O  O     . HOH   H 6 .   ? -31.206 -17.889 -9.115  1.00 33.84 ? 411 HOH   A O     1 
HETATM 1453 O  O     . HOH   H 6 .   ? -25.002 -17.077 -1.557  1.00 15.25 ? 412 HOH   A O     1 
HETATM 1454 O  O     . HOH   H 6 .   ? -20.798 -2.755  -20.179 1.00 23.57 ? 413 HOH   A O     1 
HETATM 1455 O  O     . HOH   H 6 .   ? 4.104   -2.931  -0.128  1.00 33.96 ? 414 HOH   A O     1 
HETATM 1456 O  O     . HOH   H 6 .   ? -26.716 5.584   -6.780  1.00 14.38 ? 415 HOH   A O     1 
HETATM 1457 O  O     . HOH   H 6 .   ? -13.774 -3.803  -26.914 1.00 15.35 ? 416 HOH   A O     1 
HETATM 1458 O  O     . HOH   H 6 .   ? 1.388   -2.345  -13.055 1.00 29.58 ? 417 HOH   A O     1 
HETATM 1459 O  O     . HOH   H 6 .   ? -28.055 -9.804  -28.247 1.00 21.66 ? 418 HOH   A O     1 
HETATM 1460 O  O     . HOH   H 6 .   ? -1.347  1.645   -6.849  1.00 28.60 ? 419 HOH   A O     1 
HETATM 1461 O  O     . HOH   H 6 .   ? -24.984 -3.381  -20.289 1.00 31.56 ? 420 HOH   A O     1 
HETATM 1462 O  O     . HOH   H 6 .   ? -8.165  -1.899  4.224   1.00 35.23 ? 421 HOH   A O     1 
HETATM 1463 O  O     . HOH   H 6 .   ? -21.084 -27.859 -20.824 1.00 34.31 ? 422 HOH   A O     1 
HETATM 1464 O  O     . HOH   H 6 .   ? -13.729 -21.901 -7.539  1.00 29.48 ? 423 HOH   A O     1 
HETATM 1465 O  O     . HOH   H 6 .   ? -16.120 3.635   0.147   1.00 17.09 ? 424 HOH   A O     1 
HETATM 1466 O  O     . HOH   H 6 .   ? -17.380 -13.954 -26.259 1.00 23.11 ? 425 HOH   A O     1 
HETATM 1467 O  O     . HOH   H 6 .   ? -4.590  8.426   -17.258 1.00 27.36 ? 426 HOH   A O     1 
HETATM 1468 O  O     . HOH   H 6 .   ? -16.395 -20.260 -4.446  1.00 13.66 ? 427 HOH   A O     1 
HETATM 1469 O  O     . HOH   H 6 .   ? -6.001  -13.454 -22.095 1.00 30.70 ? 428 HOH   A O     1 
HETATM 1470 O  O     . HOH   H 6 .   ? -24.853 0.701   -10.408 1.00 13.39 ? 429 HOH   A O     1 
HETATM 1471 O  O     . HOH   H 6 .   ? -10.114 -11.251 1.793   1.00 19.94 ? 430 HOH   A O     1 
HETATM 1472 O  O     . HOH   H 6 .   ? -20.814 1.556   -10.652 1.00 9.13  ? 431 HOH   A O     1 
HETATM 1473 O  O     . HOH   H 6 .   ? -31.369 -16.230 -1.512  1.00 21.78 ? 432 HOH   A O     1 
HETATM 1474 O  O     . HOH   H 6 .   ? -6.646  -16.175 -16.193 1.00 15.45 ? 433 HOH   A O     1 
HETATM 1475 O  O     . HOH   H 6 .   ? -15.122 -17.880 -26.850 1.00 28.32 ? 434 HOH   A O     1 
HETATM 1476 O  O     . HOH   H 6 .   ? -5.368  -20.052 -19.907 1.00 39.94 ? 435 HOH   A O     1 
HETATM 1477 O  O     . HOH   H 6 .   ? -16.834 9.004   -12.702 1.00 25.96 ? 436 HOH   A O     1 
HETATM 1478 O  O     . HOH   H 6 .   ? -28.025 -18.977 -20.370 1.00 21.73 ? 437 HOH   A O     1 
HETATM 1479 O  O     . HOH   H 6 .   ? -0.923  -19.860 -9.087  1.00 20.51 ? 438 HOH   A O     1 
HETATM 1480 O  O     . HOH   H 6 .   ? -0.474  -3.272  4.760   1.00 39.82 ? 439 HOH   A O     1 
HETATM 1481 O  O     . HOH   H 6 .   ? -22.753 10.620  -4.004  1.00 14.96 ? 440 HOH   A O     1 
HETATM 1482 O  O     . HOH   H 6 .   ? -31.182 -12.160 -1.482  1.00 20.83 ? 441 HOH   A O     1 
HETATM 1483 O  O     . HOH   H 6 .   ? -20.593 -4.366  -0.569  1.00 10.02 ? 442 HOH   A O     1 
HETATM 1484 O  O     . HOH   H 6 .   ? -29.277 -15.530 -21.065 1.00 34.40 ? 443 HOH   A O     1 
HETATM 1485 O  O     . HOH   H 6 .   ? -26.793 -6.029  -13.550 1.00 28.51 ? 444 HOH   A O     1 
HETATM 1486 O  O     . HOH   H 6 .   ? -26.110 -2.271  -17.066 1.00 30.25 ? 445 HOH   A O     1 
HETATM 1487 O  O     . HOH   H 6 .   ? -0.096  -9.776  -15.083 1.00 26.80 ? 446 HOH   A O     1 
HETATM 1488 O  O     . HOH   H 6 .   ? -15.326 -23.401 -17.001 1.00 24.66 ? 447 HOH   A O     1 
HETATM 1489 O  O     . HOH   H 6 .   ? -4.773  -20.342 -10.492 1.00 30.85 ? 448 HOH   A O     1 
HETATM 1490 O  O     . HOH   H 6 .   ? -22.835 11.466  -8.360  1.00 24.57 ? 449 HOH   A O     1 
HETATM 1491 O  O     . HOH   H 6 .   ? -2.633  -3.551  -28.647 1.00 37.10 ? 450 HOH   A O     1 
HETATM 1492 O  O     . HOH   H 6 .   ? -4.851  2.779   -8.817  1.00 39.65 ? 451 HOH   A O     1 
HETATM 1493 O  O     . HOH   H 6 .   ? -29.349 4.576   -0.425  1.00 10.20 ? 452 HOH   A O     1 
HETATM 1494 O  O     . HOH   H 6 .   ? -24.103 -19.964 -7.320  1.00 15.67 ? 453 HOH   A O     1 
HETATM 1495 O  O     . HOH   H 6 .   ? -0.141  -1.847  -5.734  1.00 21.03 ? 454 HOH   A O     1 
HETATM 1496 O  O     . HOH   H 6 .   ? -31.581 -1.355  1.858   1.00 23.53 ? 455 HOH   A O     1 
HETATM 1497 O  O     . HOH   H 6 .   ? -30.444 2.597   1.155   1.00 11.50 ? 456 HOH   A O     1 
HETATM 1498 O  O     . HOH   H 6 .   ? -8.799  -15.069 -21.945 1.00 37.33 ? 457 HOH   A O     1 
HETATM 1499 O  O     . HOH   H 6 .   ? 2.050   -19.235 -1.729  1.00 28.74 ? 458 HOH   A O     1 
HETATM 1500 O  O     . HOH   H 6 .   ? -10.536 -2.623  5.328   1.00 34.59 ? 459 HOH   A O     1 
HETATM 1501 O  O     . HOH   H 6 .   ? -13.769 -13.810 4.351   1.00 27.18 ? 460 HOH   A O     1 
HETATM 1502 O  O     . HOH   H 6 .   ? -26.935 -19.476 -6.985  1.00 21.43 ? 461 HOH   A O     1 
HETATM 1503 O  O     . HOH   H 6 .   ? 3.279   -14.505 5.007   1.00 26.90 ? 462 HOH   A O     1 
HETATM 1504 O  O     . HOH   H 6 .   ? -28.656 -7.285  -11.897 1.00 15.13 ? 463 HOH   A O     1 
HETATM 1505 O  O     . HOH   H 6 .   ? -18.944 -19.812 -5.319  1.00 13.24 ? 464 HOH   A O     1 
HETATM 1506 O  O     . HOH   H 6 .   ? -15.462 6.526   -17.816 1.00 33.03 ? 465 HOH   A O     1 
HETATM 1507 O  O     . HOH   H 6 .   ? -20.370 9.680   -15.273 1.00 40.35 ? 466 HOH   A O     1 
HETATM 1508 O  O     . HOH   H 6 .   ? 1.651   -11.815 -21.652 1.00 36.43 ? 467 HOH   A O     1 
HETATM 1509 O  O     . HOH   H 6 .   ? 3.072   -20.826 -14.402 1.00 38.41 ? 468 HOH   A O     1 
HETATM 1510 O  O     . HOH   H 6 .   ? -12.467 -22.762 -17.264 1.00 26.56 ? 469 HOH   A O     1 
HETATM 1511 O  O     . HOH   H 6 .   ? -8.152  -20.547 -6.908  1.00 18.37 ? 470 HOH   A O     1 
HETATM 1512 O  O     . HOH   H 6 .   ? -26.923 -15.602 -22.112 1.00 25.60 ? 471 HOH   A O     1 
HETATM 1513 O  O     . HOH   H 6 .   ? -23.236 -6.781  -25.372 1.00 31.27 ? 472 HOH   A O     1 
HETATM 1514 O  O     . HOH   H 6 .   ? -33.435 -11.592 -10.258 1.00 28.17 ? 473 HOH   A O     1 
HETATM 1515 O  O     . HOH   H 6 .   ? -9.400  3.590   -0.857  1.00 21.60 ? 474 HOH   A O     1 
HETATM 1516 O  O     . HOH   H 6 .   ? -18.015 10.774  -8.263  1.00 32.73 ? 475 HOH   A O     1 
HETATM 1517 O  O     . HOH   H 6 .   ? -30.538 -14.492 -10.197 1.00 32.03 ? 476 HOH   A O     1 
HETATM 1518 O  O     . HOH   H 6 .   ? 3.572   -12.971 -7.184  1.00 21.79 ? 477 HOH   A O     1 
HETATM 1519 O  O     . HOH   H 6 .   ? -2.575  -19.011 4.123   1.00 22.67 ? 478 HOH   A O     1 
HETATM 1520 O  O     . HOH   H 6 .   ? -8.441  -7.504  -28.727 1.00 27.25 ? 479 HOH   A O     1 
HETATM 1521 O  O     . HOH   H 6 .   ? -15.918 -1.662  -16.261 1.00 12.35 ? 480 HOH   A O     1 
HETATM 1522 O  O     . HOH   H 6 .   ? -32.665 -16.665 -20.042 1.00 37.98 ? 481 HOH   A O     1 
HETATM 1523 O  O     . HOH   H 6 .   ? -9.943  -19.529 -3.162  1.00 23.16 ? 482 HOH   A O     1 
HETATM 1524 O  O     . HOH   H 6 .   ? -6.747  4.614   -8.181  1.00 27.51 ? 483 HOH   A O     1 
HETATM 1525 O  O     . HOH   H 6 .   ? -5.891  -15.709 -18.773 1.00 28.45 ? 484 HOH   A O     1 
HETATM 1526 O  O     . HOH   H 6 .   ? -10.241 7.655   -9.546  1.00 36.12 ? 485 HOH   A O     1 
HETATM 1527 O  O     . HOH   H 6 .   ? -11.780 -21.014 -27.576 1.00 39.35 ? 486 HOH   A O     1 
HETATM 1528 O  O     . HOH   H 6 .   ? -20.669 -7.080  -17.485 1.00 11.37 ? 487 HOH   A O     1 
HETATM 1529 O  O     . HOH   H 6 .   ? -4.897  -4.108  5.514   1.00 27.74 ? 488 HOH   A O     1 
HETATM 1530 O  O     . HOH   H 6 .   ? 4.715   0.490   -2.028  1.00 31.09 ? 489 HOH   A O     1 
HETATM 1531 O  O     . HOH   H 6 .   ? -2.430  -17.047 -15.694 1.00 35.99 ? 490 HOH   A O     1 
HETATM 1532 O  O     . HOH   H 6 .   ? -19.233 2.952   -8.417  1.00 9.24  ? 491 HOH   A O     1 
HETATM 1533 O  O     . HOH   H 6 .   ? -15.996 -21.952 -9.258  1.00 31.65 ? 492 HOH   A O     1 
HETATM 1534 O  O     . HOH   H 6 .   ? 0.853   -7.783  -20.936 1.00 29.89 ? 493 HOH   A O     1 
HETATM 1535 O  O     . HOH   H 6 .   ? -31.102 -19.054 -16.593 1.00 35.75 ? 494 HOH   A O     1 
HETATM 1536 O  O     . HOH   H 6 .   ? -21.355 -11.529 -26.510 1.00 26.35 ? 495 HOH   A O     1 
HETATM 1537 O  O     . HOH   H 6 .   ? 2.057   -9.363  -13.125 1.00 27.23 ? 496 HOH   A O     1 
HETATM 1538 O  O     . HOH   H 6 .   ? -8.435  6.629   -7.636  1.00 36.13 ? 497 HOH   A O     1 
HETATM 1539 O  O     . HOH   H 6 .   ? -28.829 -19.542 -9.236  1.00 32.18 ? 498 HOH   A O     1 
HETATM 1540 O  O     . HOH   H 6 .   ? -26.165 -7.162  -25.672 1.00 37.52 ? 499 HOH   A O     1 
HETATM 1541 O  O     . HOH   H 6 .   ? 1.024   -6.827  -16.042 1.00 29.37 ? 500 HOH   A O     1 
HETATM 1542 O  O     . HOH   H 6 .   ? -11.389 7.940   -17.347 1.00 34.36 ? 501 HOH   A O     1 
HETATM 1543 O  O     . HOH   H 6 .   ? -30.250 -3.723  -6.201  1.00 28.74 ? 502 HOH   A O     1 
HETATM 1544 O  O     . HOH   H 6 .   ? -8.578  -19.621 -0.820  1.00 29.78 ? 503 HOH   A O     1 
HETATM 1545 O  O     . HOH   H 6 .   ? -31.790 -7.641  -14.632 1.00 38.49 ? 504 HOH   A O     1 
HETATM 1546 O  O     . HOH   H 6 .   ? -29.357 -4.197  -2.824  1.00 19.50 ? 505 HOH   A O     1 
HETATM 1547 O  O     . HOH   H 6 .   ? -23.111 -6.597  5.184   1.00 17.54 ? 506 HOH   A O     1 
HETATM 1548 O  O     . HOH   H 6 .   ? -33.797 -11.093 -14.411 1.00 31.40 ? 507 HOH   A O     1 
HETATM 1549 O  O     . HOH   H 6 .   ? -16.038 -10.767 6.400   1.00 27.71 ? 508 HOH   A O     1 
HETATM 1550 O  O     . HOH   H 6 .   ? -16.004 5.372   -26.490 1.00 24.34 ? 509 HOH   A O     1 
HETATM 1551 O  O     . HOH   H 6 .   ? -16.682 -22.962 -12.642 1.00 29.37 ? 510 HOH   A O     1 
HETATM 1552 O  O     . HOH   H 6 .   ? -13.932 5.900   -2.870  1.00 20.65 ? 511 HOH   A O     1 
HETATM 1553 O  O     . HOH   H 6 .   ? -14.594 8.791   -9.116  1.00 21.71 ? 512 HOH   A O     1 
HETATM 1554 O  O     . HOH   H 6 .   ? -21.972 5.467   -20.153 1.00 35.81 ? 513 HOH   A O     1 
HETATM 1555 O  O     . HOH   H 6 .   ? -7.127  0.783   -26.831 1.00 25.40 ? 514 HOH   A O     1 
HETATM 1556 O  O     . HOH   H 6 .   ? -18.837 -20.903 -8.576  1.00 23.06 ? 515 HOH   A O     1 
HETATM 1557 O  O     . HOH   H 6 .   ? -13.593 -22.376 -13.194 1.00 23.35 ? 516 HOH   A O     1 
HETATM 1558 O  O     . HOH   H 6 .   ? -27.969 -22.371 -14.137 1.00 23.31 ? 517 HOH   A O     1 
HETATM 1559 O  O     . HOH   H 6 .   ? -7.235  5.219   -3.327  1.00 24.10 ? 518 HOH   A O     1 
HETATM 1560 O  O     . HOH   H 6 .   ? 4.662   -13.331 2.446   1.00 25.82 ? 519 HOH   A O     1 
HETATM 1561 O  O     . HOH   H 6 .   ? 4.953   -6.284  -5.440  1.00 26.98 ? 520 HOH   A O     1 
HETATM 1562 O  O     . HOH   H 6 .   ? -17.739 2.346   1.760   1.00 15.50 ? 521 HOH   A O     1 
HETATM 1563 O  O     . HOH   H 6 .   ? 2.131   -4.876  -8.400  1.00 25.43 ? 522 HOH   A O     1 
HETATM 1564 O  O     . HOH   H 6 .   ? -25.756 -1.149  2.805   1.00 14.69 ? 523 HOH   A O     1 
HETATM 1565 O  O     . HOH   H 6 .   ? -8.683  1.323   0.790   1.00 18.60 ? 524 HOH   A O     1 
HETATM 1566 O  O     . HOH   H 6 .   ? -6.410  -6.501  6.715   1.00 40.94 ? 525 HOH   A O     1 
HETATM 1567 O  O     . HOH   H 6 .   ? -12.200 -10.159 4.477   1.00 25.70 ? 526 HOH   A O     1 
HETATM 1568 O  O     . HOH   H 6 .   ? -8.946  3.305   -26.603 1.00 30.18 ? 527 HOH   A O     1 
HETATM 1569 O  O     . HOH   H 6 .   ? -26.755 -4.422  -18.481 1.00 26.63 ? 528 HOH   A O     1 
HETATM 1570 O  O     . HOH   H 6 .   ? -9.164  5.909   -11.809 1.00 32.90 ? 529 HOH   A O     1 
HETATM 1571 O  O     . HOH   H 6 .   ? -26.662 -24.499 -15.991 1.00 29.37 ? 530 HOH   A O     1 
HETATM 1572 O  O     . HOH   H 6 .   ? 0.743   -3.795  -19.596 1.00 28.51 ? 531 HOH   A O     1 
HETATM 1573 O  O     . HOH   H 6 .   ? -11.142 0.963   2.143   1.00 25.90 ? 532 HOH   A O     1 
HETATM 1574 O  O     . HOH   H 6 .   ? -31.708 -10.534 -18.300 1.00 25.89 ? 533 HOH   A O     1 
HETATM 1575 O  O     . HOH   H 6 .   ? -21.976 6.610   -14.107 1.00 28.76 ? 534 HOH   A O     1 
HETATM 1576 O  O     . HOH   H 6 .   ? -19.671 -12.608 -23.621 1.00 21.40 ? 535 HOH   A O     1 
HETATM 1577 O  O     . HOH   H 6 .   ? -4.077  2.390   2.260   1.00 33.57 ? 536 HOH   A O     1 
HETATM 1578 O  O     . HOH   H 6 .   ? -20.855 -3.358  -24.207 1.00 42.39 ? 537 HOH   A O     1 
HETATM 1579 O  O     . HOH   H 6 .   ? -31.131 -7.268  -9.342  1.00 21.10 ? 538 HOH   A O     1 
HETATM 1580 O  O     . HOH   H 6 .   ? -4.871  -17.684 4.403   1.00 39.40 ? 539 HOH   A O     1 
HETATM 1581 O  O     . HOH   H 6 .   ? -2.079  -21.787 -5.030  1.00 30.39 ? 540 HOH   A O     1 
HETATM 1582 O  O     . HOH   H 6 .   ? -30.538 -8.147  -20.106 1.00 22.03 ? 541 HOH   A O     1 
HETATM 1583 O  O     . HOH   H 6 .   ? -20.614 -10.626 9.752   1.00 29.80 ? 542 HOH   A O     1 
HETATM 1584 O  O     . HOH   H 6 .   ? -30.976 -2.017  -2.849  1.00 28.58 ? 543 HOH   A O     1 
HETATM 1585 O  O     . HOH   H 6 .   ? -20.804 12.619  -9.757  1.00 33.75 ? 544 HOH   A O     1 
HETATM 1586 O  O     . HOH   H 6 .   ? -32.897 -12.418 -20.576 1.00 32.46 ? 545 HOH   A O     1 
HETATM 1587 O  O     . HOH   H 6 .   ? -29.376 -6.417  -7.118  1.00 18.40 ? 546 HOH   A O     1 
HETATM 1588 O  O     . HOH   H 6 .   ? -0.716  -19.866 -6.355  1.00 24.04 ? 547 HOH   A O     1 
HETATM 1589 O  O     . HOH   H 6 .   ? -18.048 -3.402  8.051   1.00 30.12 ? 548 HOH   A O     1 
HETATM 1590 O  O     . HOH   H 6 .   ? -27.641 -22.860 -11.574 1.00 30.65 ? 549 HOH   A O     1 
HETATM 1591 O  O     . HOH   H 6 .   ? -0.581  -9.766  -19.518 1.00 30.92 ? 550 HOH   A O     1 
HETATM 1592 O  O     . HOH   H 6 .   ? -14.499 7.675   -13.959 1.00 30.43 ? 551 HOH   A O     1 
HETATM 1593 O  O     . HOH   H 6 .   ? -28.492 -3.303  -10.231 1.00 22.33 ? 552 HOH   A O     1 
HETATM 1594 O  O     . HOH   H 6 .   ? -21.299 -6.220  7.552   1.00 29.73 ? 553 HOH   A O     1 
HETATM 1595 O  O     . HOH   H 6 .   ? -8.180  -11.569 -30.178 1.00 48.21 ? 554 HOH   A O     1 
HETATM 1596 O  O     . HOH   H 6 .   ? -13.075 8.913   -6.293  1.00 40.33 ? 555 HOH   A O     1 
HETATM 1597 O  O     . HOH   H 6 .   ? -26.423 -8.832  3.866   1.00 37.10 ? 556 HOH   A O     1 
HETATM 1598 O  O     . HOH   H 6 .   ? 1.315   1.217   -6.630  1.00 24.43 ? 557 HOH   A O     1 
HETATM 1599 O  O     . HOH   H 6 .   ? -30.618 -5.190  -19.535 1.00 37.93 ? 558 HOH   A O     1 
HETATM 1600 O  O     . HOH   H 6 .   ? 1.399   0.452   -16.846 1.00 39.14 ? 559 HOH   A O     1 
HETATM 1601 O  O     . HOH   H 6 .   ? -25.228 -0.934  -19.170 1.00 33.27 ? 560 HOH   A O     1 
HETATM 1602 O  O     . HOH   H 6 .   ? -20.759 -22.330 -9.868  1.00 35.78 ? 561 HOH   A O     1 
HETATM 1603 O  O     . HOH   H 6 .   ? -32.139 1.270   -0.767  1.00 24.57 ? 562 HOH   A O     1 
HETATM 1604 O  O     . HOH   H 6 .   ? 2.535   -15.814 7.479   1.00 33.42 ? 563 HOH   A O     1 
HETATM 1605 O  O     . HOH   H 6 .   ? -31.063 -11.078 3.897   1.00 44.19 ? 564 HOH   A O     1 
HETATM 1606 O  O     . HOH   H 6 .   ? -30.137 2.168   -6.925  1.00 41.78 ? 565 HOH   A O     1 
HETATM 1607 O  O     . HOH   H 6 .   ? -17.414 -14.491 9.351   1.00 25.37 ? 566 HOH   A O     1 
HETATM 1608 O  O     . HOH   H 6 .   ? 0.984   4.693   -15.836 1.00 36.11 ? 567 HOH   A O     1 
HETATM 1609 O  O     . HOH   H 6 .   ? -28.180 3.390   -11.110 1.00 29.74 ? 568 HOH   A O     1 
HETATM 1610 O  O     . HOH   H 6 .   ? -11.662 -23.525 -14.631 1.00 36.54 ? 569 HOH   A O     1 
HETATM 1611 O  O     . HOH   H 6 .   ? -25.939 2.097   -12.503 1.00 19.59 ? 570 HOH   A O     1 
HETATM 1612 O  O     . HOH   H 6 .   ? -11.480 3.956   0.849   1.00 35.48 ? 571 HOH   A O     1 
HETATM 1613 O  O     . HOH   H 6 .   ? -27.464 -0.497  -10.335 1.00 21.00 ? 572 HOH   A O     1 
HETATM 1614 O  O     . HOH   H 6 .   ? -33.722 -12.277 -2.740  1.00 33.14 ? 573 HOH   A O     1 
HETATM 1615 O  O     . HOH   H 6 .   ? -30.665 -3.087  -8.651  1.00 29.38 ? 574 HOH   A O     1 
HETATM 1616 O  O     . HOH   H 6 .   ? -30.909 -5.935  -12.929 1.00 32.83 ? 575 HOH   A O     1 
HETATM 1617 O  O     . HOH   H 6 .   ? -13.612 0.031   6.600   1.00 37.23 ? 576 HOH   A O     1 
HETATM 1618 O  O     . HOH   H 6 .   ? -6.811  -21.420 -9.029  1.00 32.05 ? 577 HOH   A O     1 
HETATM 1619 O  O     . HOH   H 6 .   ? -6.780  4.880   -11.286 1.00 42.02 ? 578 HOH   A O     1 
HETATM 1620 O  O     . HOH   H 6 .   ? -29.545 0.727   -9.269  1.00 33.80 ? 579 HOH   A O     1 
HETATM 1621 O  O     . HOH   H 6 .   ? -29.267 -4.803  2.035   1.00 32.13 ? 580 HOH   A O     1 
HETATM 1622 O  O     . HOH   H 6 .   ? -30.362 -4.721  -0.335  1.00 28.81 ? 581 HOH   A O     1 
HETATM 1623 O  O     . HOH   H 6 .   ? -25.592 4.509   -13.883 1.00 30.69 ? 582 HOH   A O     1 
# 
